NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7685 | 1kv4 | 5265 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 -30.764 6.267 0.475 2 2H ALA 1 2HT ALA 1 -32.451 6.501 0.685 3 3H ALA 1 3HT ALA 1 -31.422 7.849 0.418 4 HA ALA 1 HA ALA 1 -32.853 6.717 -1.450 5 1HB ALA 1 1HB ALA 1 -31.812 8.741 -1.910 6 2HB ALA 1 2HB ALA 1 -31.024 7.625 -3.025 7 3HB ALA 1 3HB ALA 1 -30.206 8.113 -1.541 8 H LYS 2 H LYS 2 -32.425 5.433 -3.350 9 HA LYS 2 HA LYS 2 -31.481 2.885 -2.797 10 1HB LYS 2 2HB LYS 2 -33.048 3.468 -4.635 11 2HB LYS 2 1HB LYS 2 -31.701 4.168 -5.524 12 1HG LYS 2 2HG LYS 2 -32.180 1.954 -6.349 13 2HG LYS 2 1HG LYS 2 -30.603 1.973 -5.558 14 1HD LYS 2 2HD LYS 2 -32.090 1.278 -3.463 15 2HD LYS 2 1HD LYS 2 -33.125 0.645 -4.742 16 1HE LYS 2 2HE LYS 2 -30.591 -0.172 -5.482 17 2HE LYS 2 1HE LYS 2 -30.590 -0.350 -3.728 18 1HZ LYS 2 1HZ LYS 2 -32.552 -1.716 -3.874 19 2HZ LYS 2 2HZ LYS 2 -31.352 -2.357 -4.879 20 3HZ LYS 2 3HZ LYS 2 -32.641 -1.490 -5.549 21 H ILE 3 H ILE 3 -29.408 3.218 -1.827 22 HA ILE 3 HA ILE 3 -27.260 2.740 -3.582 23 HB ILE 3 HB ILE 3 -27.314 5.080 -4.071 24 1HG1 ILE 3 2HG1 ILE 3 -25.117 5.116 -2.085 25 2HG1 ILE 3 1HG1 ILE 3 -25.113 3.766 -3.215 26 1HG2 ILE 3 1HG2 ILE 3 -28.122 5.311 -1.352 27 2HG2 ILE 3 2HG2 ILE 3 -28.134 6.540 -2.616 28 3HG2 ILE 3 3HG2 ILE 3 -26.701 6.323 -1.610 29 1HD1 ILE 3 1HD1 ILE 3 -24.756 6.675 -3.734 30 2HD1 ILE 3 2HD1 ILE 3 -25.399 5.636 -5.006 31 3HD1 ILE 3 3HD1 ILE 3 -23.813 5.301 -4.310 32 HA PRO 4 HA PRO 4 -26.491 1.809 0.898 33 1HB PRO 4 2HB PRO 4 -27.494 -0.682 1.110 34 2HB PRO 4 1HB PRO 4 -28.497 0.759 1.297 35 1HG PRO 4 2HG PRO 4 -28.422 -1.187 -0.899 36 2HG PRO 4 1HG PRO 4 -29.692 -0.039 -0.458 37 1HD PRO 4 2HD PRO 4 -27.677 0.206 -2.514 38 2HD PRO 4 1HD PRO 4 -29.017 1.306 -2.143 39 H ILE 5 H ILE 5 -26.578 -1.149 -1.064 40 HA ILE 5 HA ILE 5 -24.202 -2.226 -0.178 41 HB ILE 5 HB ILE 5 -26.016 -3.277 -1.687 42 1HG1 ILE 5 2HG1 ILE 5 -23.659 -4.176 -0.896 43 2HG1 ILE 5 1HG1 ILE 5 -24.623 -5.070 -2.067 44 1HG2 ILE 5 1HG2 ILE 5 -25.846 -1.688 -3.524 45 2HG2 ILE 5 2HG2 ILE 5 -25.485 -3.323 -4.075 46 3HG2 ILE 5 3HG2 ILE 5 -24.175 -2.174 -3.806 47 1HD1 ILE 5 1HD1 ILE 5 -23.164 -4.709 -3.739 48 2HD1 ILE 5 2HD1 ILE 5 -22.033 -4.501 -2.402 49 3HD1 ILE 5 3HD1 ILE 5 -22.750 -3.089 -3.178 50 H LYS 6 H LYS 6 -24.754 -0.205 -3.033 51 HA LYS 6 HA LYS 6 -22.024 -0.110 -3.811 52 1HB LYS 6 2HB LYS 6 -24.103 1.975 -4.465 53 2HB LYS 6 1HB LYS 6 -22.688 1.524 -5.407 54 1HG LYS 6 2HG LYS 6 -24.737 -0.561 -4.885 55 2HG LYS 6 1HG LYS 6 -25.111 0.709 -6.051 56 1HD LYS 6 2HD LYS 6 -22.546 -0.042 -6.730 57 2HD LYS 6 1HD LYS 6 -23.310 -1.567 -6.281 58 1HE LYS 6 2HE LYS 6 -24.234 -1.612 -8.303 59 2HE LYS 6 1HE LYS 6 -25.211 -0.226 -7.819 60 1HZ LYS 6 1HZ LYS 6 -22.515 0.377 -8.715 61 2HZ LYS 6 2HZ LYS 6 -23.968 1.183 -9.032 62 3HZ LYS 6 3HZ LYS 6 -23.567 -0.208 -9.906 63 H ALA 7 H ALA 7 -23.862 1.457 -1.400 64 HA ALA 7 HA ALA 7 -22.247 3.812 -1.164 65 1HB ALA 7 1HB ALA 7 -24.575 2.666 0.204 66 2HB ALA 7 2HB ALA 7 -24.203 4.344 -0.190 67 3HB ALA 7 3HB ALA 7 -23.497 3.597 1.243 68 H ILE 8 H ILE 8 -22.540 0.781 0.649 69 HA ILE 8 HA ILE 8 -20.427 1.393 2.461 70 HB ILE 8 HB ILE 8 -22.041 -0.215 3.172 71 1HG1 ILE 8 2HG1 ILE 8 -19.378 -0.612 3.412 72 2HG1 ILE 8 1HG1 ILE 8 -20.583 -1.635 4.183 73 1HG2 ILE 8 1HG2 ILE 8 -21.400 -1.583 0.587 74 2HG2 ILE 8 2HG2 ILE 8 -22.968 -1.102 1.237 75 3HG2 ILE 8 3HG2 ILE 8 -22.108 -2.476 1.933 76 1HD1 ILE 8 1HD1 ILE 8 -18.859 -2.961 3.114 77 2HD1 ILE 8 2HD1 ILE 8 -19.202 -2.190 1.566 78 3HD1 ILE 8 3HD1 ILE 8 -20.417 -3.217 2.327 79 H LYS 9 H LYS 9 -20.677 -0.305 -0.596 80 HA LYS 9 HA LYS 9 -18.044 -1.350 -0.620 81 1HB LYS 9 2HB LYS 9 -20.144 -0.891 -2.717 82 2HB LYS 9 1HB LYS 9 -18.528 -1.410 -3.174 83 1HG LYS 9 2HG LYS 9 -20.395 -2.868 -1.317 84 2HG LYS 9 1HG LYS 9 -20.033 -3.303 -2.989 85 1HD LYS 9 2HD LYS 9 -18.146 -4.336 -2.401 86 2HD LYS 9 1HD LYS 9 -17.628 -2.978 -1.401 87 1HE LYS 9 2HE LYS 9 -17.988 -5.196 -0.219 88 2HE LYS 9 1HE LYS 9 -18.783 -3.785 0.478 89 1HZ LYS 9 1HZ LYS 9 -20.820 -4.567 -0.035 90 2HZ LYS 9 2HZ LYS 9 -20.037 -6.065 0.014 91 3HZ LYS 9 3HZ LYS 9 -20.316 -5.308 -1.472 92 H THR 10 H THR 10 -19.493 1.671 -1.686 93 HA THR 10 HA THR 10 -17.275 2.624 -3.156 94 HB THR 10 HB THR 10 -19.646 3.939 -1.866 95 HG1 THR 10 1HG THR 10 -20.299 4.149 -3.914 96 1HG2 THR 10 1HG2 THR 10 -18.723 5.939 -3.381 97 2HG2 THR 10 2HG2 THR 10 -17.196 5.283 -2.790 98 3HG2 THR 10 3HG2 THR 10 -18.428 5.815 -1.646 99 H VAL 11 H VAL 11 -18.277 3.061 0.211 100 HA VAL 11 HA VAL 11 -16.052 4.707 0.903 101 HB VAL 11 HB VAL 11 -18.053 3.175 2.553 102 1HG1 VAL 11 1HG1 VAL 11 -15.587 4.622 3.447 103 2HG1 VAL 11 2HG1 VAL 11 -16.217 3.061 3.974 104 3HG1 VAL 11 3HG1 VAL 11 -17.015 4.550 4.479 105 1HG2 VAL 11 1HG2 VAL 11 -19.238 5.028 2.247 106 2HG2 VAL 11 2HG2 VAL 11 -17.894 5.800 1.405 107 3HG2 VAL 11 3HG2 VAL 11 -18.016 5.911 3.161 108 H GLY 12 H GLY 12 -16.759 1.267 1.027 109 1HA GLY 12 2HA GLY 12 -14.499 0.462 2.517 110 2HA GLY 12 1HA GLY 12 -15.411 -0.556 1.408 111 H LYS 13 H LYS 13 -14.974 1.281 -0.836 112 HA LYS 13 HA LYS 13 -12.529 0.172 -1.790 113 1HB LYS 13 2HB LYS 13 -14.301 2.323 -2.961 114 2HB LYS 13 1HB LYS 13 -12.989 1.519 -3.812 115 1HG LYS 13 2HG LYS 13 -14.901 -0.345 -2.661 116 2HG LYS 13 1HG LYS 13 -15.627 0.766 -3.825 117 1HD LYS 13 2HD LYS 13 -13.073 -0.677 -4.439 118 2HD LYS 13 1HD LYS 13 -14.639 -1.452 -4.685 119 1HE LYS 13 2HE LYS 13 -15.300 0.490 -6.100 120 2HE LYS 13 1HE LYS 13 -13.654 1.102 -5.947 121 1HZ LYS 13 1HZ LYS 13 -13.030 -1.232 -6.832 122 2HZ LYS 13 2HZ LYS 13 -13.567 -0.050 -7.916 123 3HZ LYS 13 3HZ LYS 13 -14.624 -1.265 -7.398 124 H ALA 14 H ALA 14 -13.534 3.291 -0.518 125 HA ALA 14 HA ALA 14 -11.176 4.701 -1.227 126 1HB ALA 14 1HB ALA 14 -12.815 5.436 1.161 127 2HB ALA 14 2HB ALA 14 -13.489 5.603 -0.460 128 3HB ALA 14 3HB ALA 14 -12.026 6.481 -0.018 129 H VAL 15 H VAL 15 -12.244 3.398 1.904 130 HA VAL 15 HA VAL 15 -9.801 3.841 3.233 131 HB VAL 15 HB VAL 15 -10.737 1.754 4.632 132 1HG1 VAL 15 1HG1 VAL 15 -12.211 3.489 5.832 133 2HG1 VAL 15 2HG1 VAL 15 -11.588 4.625 4.634 134 3HG1 VAL 15 3HG1 VAL 15 -10.477 3.791 5.721 135 1HG2 VAL 15 1HG2 VAL 15 -13.313 2.895 3.641 136 2HG2 VAL 15 2HG2 VAL 15 -13.008 1.371 4.474 137 3HG2 VAL 15 3HG2 VAL 15 -12.555 1.556 2.779 138 H GLY 16 H GLY 16 -10.940 1.294 1.150 139 1HA GLY 16 2HA GLY 16 -8.975 -0.647 1.823 140 2HA GLY 16 1HA GLY 16 -9.943 -0.620 0.356 141 H LYS 17 H LYS 17 -9.150 1.837 -0.711 142 HA LYS 17 HA LYS 17 -6.564 1.093 -1.762 143 1HB LYS 17 2HB LYS 17 -8.126 3.599 -2.393 144 2HB LYS 17 1HB LYS 17 -6.887 2.828 -3.374 145 1HG LYS 17 2HG LYS 17 -9.132 1.067 -2.796 146 2HG LYS 17 1HG LYS 17 -9.599 2.530 -3.667 147 1HD LYS 17 2HD LYS 17 -7.406 1.855 -5.062 148 2HD LYS 17 1HD LYS 17 -7.922 0.253 -4.531 149 1HE LYS 17 2HE LYS 17 -9.280 2.191 -6.337 150 2HE LYS 17 1HE LYS 17 -9.084 0.446 -6.500 151 1HZ LYS 17 1HZ LYS 17 -11.079 1.954 -4.960 152 2HZ LYS 17 2HZ LYS 17 -10.632 0.412 -4.428 153 3HZ LYS 17 3HZ LYS 17 -11.290 0.615 -5.973 154 H GLY 18 H GLY 18 -7.847 3.342 0.543 155 1HA GLY 18 2HA GLY 18 -5.581 5.090 0.600 156 2HA GLY 18 1HA GLY 18 -6.857 5.000 1.806 157 H LEU 19 H LEU 19 -6.680 2.413 2.658 158 HA LEU 19 HA LEU 19 -4.487 2.527 4.438 159 1HB LEU 19 2HB LEU 19 -6.121 1.302 5.422 160 2HB LEU 19 1HB LEU 19 -6.732 0.700 3.895 161 HG LEU 19 HG LEU 19 -4.636 -0.830 3.911 162 1HD1 LEU 19 1HD1 LEU 19 -3.295 -0.796 5.674 163 2HD1 LEU 19 2HD1 LEU 19 -4.658 -1.037 6.767 164 3HD1 LEU 19 3HD1 LEU 19 -4.191 0.594 6.286 165 1HD2 LEU 19 1HD2 LEU 19 -7.252 -1.156 4.707 166 2HD2 LEU 19 2HD2 LEU 19 -6.329 -1.800 6.064 167 3HD2 LEU 19 3HD2 LEU 19 -6.077 -2.444 4.442 168 H ARG 20 H ARG 20 -5.078 0.797 1.432 169 HA ARG 20 HA ARG 20 -2.730 -0.791 1.586 170 1HB ARG 20 2HB ARG 20 -4.848 -0.291 -0.382 171 2HB ARG 20 1HB ARG 20 -3.278 -0.618 -1.101 172 1HG ARG 20 2HG ARG 20 -5.050 -2.525 -0.438 173 2HG ARG 20 1HG ARG 20 -3.307 -2.786 -0.507 174 1HD ARG 20 2HD ARG 20 -3.083 -2.803 1.779 175 2HD ARG 20 1HD ARG 20 -4.501 -1.791 2.032 176 HE ARG 20 HE ARG 20 -5.861 -3.680 1.906 177 1HH1 ARG 20 1HH1 ARG 20 -2.520 -4.497 1.319 178 2HH1 ARG 20 2HH1 ARG 20 -2.766 -6.195 1.543 179 1HH2 ARG 20 1HH2 ARG 20 -6.187 -5.914 2.202 180 2HH2 ARG 20 2HH2 ARG 20 -4.848 -7.001 2.043 181 H ALA 21 H ALA 21 -3.506 2.278 0.009 182 HA ALA 21 HA ALA 21 -1.134 2.684 -1.357 183 1HB ALA 21 1HB ALA 21 -3.354 4.286 -0.566 184 2HB ALA 21 2HB ALA 21 -2.175 4.595 -1.841 185 3HB ALA 21 3HB ALA 21 -1.873 5.172 -0.202 186 H ILE 22 H ILE 22 -1.876 3.022 2.055 187 HA ILE 22 HA ILE 22 0.674 4.177 2.714 188 HB ILE 22 HB ILE 22 -1.386 2.864 4.497 189 1HG1 ILE 22 2HG1 ILE 22 -0.843 5.756 3.795 190 2HG1 ILE 22 1HG1 ILE 22 -2.304 4.835 3.452 191 1HG2 ILE 22 1HG2 ILE 22 0.479 2.776 5.813 192 2HG2 ILE 22 2HG2 ILE 22 -0.079 4.407 6.185 193 3HG2 ILE 22 3HG2 ILE 22 1.232 4.165 5.031 194 1HD1 ILE 22 1HD1 ILE 22 -2.661 4.639 5.909 195 2HD1 ILE 22 2HD1 ILE 22 -2.753 6.283 5.278 196 3HD1 ILE 22 3HD1 ILE 22 -1.308 5.747 6.134 197 H ASN 23 H ASN 23 -0.654 1.020 2.282 198 HA ASN 23 HA ASN 23 1.374 -0.401 3.715 199 1HB ASN 23 2HB ASN 23 0.197 -2.271 3.196 200 2HB ASN 23 1HB ASN 23 -1.064 -1.094 2.909 201 1HD2 ASN 23 1HD2 ASN 23 1.539 -2.840 1.283 202 2HD2 ASN 23 2HD2 ASN 23 0.718 -3.021 -0.226 203 H ILE 24 H ILE 24 0.656 0.014 0.278 204 HA ILE 24 HA ILE 24 2.972 -1.262 -0.661 205 HB ILE 24 HB ILE 24 2.243 -0.801 -2.733 206 1HG1 ILE 24 2HG1 ILE 24 3.147 1.563 -2.550 207 2HG1 ILE 24 1HG1 ILE 24 1.809 1.341 -3.670 208 1HG2 ILE 24 1HG2 ILE 24 0.169 -1.223 -1.373 209 2HG2 ILE 24 2HG2 ILE 24 -0.076 -0.444 -2.937 210 3HG2 ILE 24 3HG2 ILE 24 -0.135 0.513 -1.456 211 1HD1 ILE 24 1HD1 ILE 24 2.013 3.047 -1.367 212 2HD1 ILE 24 2HD1 ILE 24 0.602 1.993 -1.260 213 3HD1 ILE 24 3HD1 ILE 24 0.818 3.038 -2.665 214 H ALA 25 H ALA 25 2.384 1.806 0.734 215 HA ALA 25 HA ALA 25 4.900 2.915 -0.154 216 1HB ALA 25 1HB ALA 25 2.497 3.941 1.125 217 2HB ALA 25 2HB ALA 25 3.681 4.771 0.116 218 3HB ALA 25 3HB ALA 25 3.978 4.572 1.843 219 H SER 26 H SER 26 3.592 1.113 2.483 220 HA SER 26 HA SER 26 5.753 1.754 4.308 221 1HB SER 26 2HB SER 26 3.173 0.512 4.501 222 2HB SER 26 1HB SER 26 4.387 -0.582 5.164 223 HG SER 26 HG SER 26 3.779 2.063 5.949 224 H THR 27 H THR 27 4.815 -0.873 2.168 225 HA THR 27 HA THR 27 6.919 -2.635 2.950 226 HB THR 27 HB THR 27 5.405 -2.657 0.335 227 HG1 THR 27 1HG THR 27 4.635 -3.974 2.716 228 1HG2 THR 27 1HG2 THR 27 6.865 -4.362 0.056 229 2HG2 THR 27 2HG2 THR 27 5.618 -5.216 0.967 230 3HG2 THR 27 3HG2 THR 27 7.064 -4.627 1.788 231 H ALA 28 H ALA 28 6.496 -0.134 0.540 232 HA ALA 28 HA ALA 28 8.784 -0.693 -1.017 233 1HB ALA 28 1HB ALA 28 6.736 1.281 -0.954 234 2HB ALA 28 2HB ALA 28 7.866 0.907 -2.256 235 3HB ALA 28 3HB ALA 28 8.296 2.101 -1.030 236 H ASN 29 H ASN 29 8.303 0.881 2.033 237 HA ASN 29 HA ASN 29 10.767 2.300 2.120 238 1HB ASN 29 2HB ASN 29 8.611 1.620 4.040 239 2HB ASN 29 1HB ASN 29 10.190 1.982 4.730 240 1HD2 ASN 29 1HD2 ASN 29 8.381 3.288 1.973 241 2HD2 ASN 29 2HD2 ASN 29 8.444 4.935 2.494 242 H ASP 30 H ASP 30 9.824 -0.397 4.228 243 HA ASP 30 HA ASP 30 12.323 -1.146 5.059 244 1HB ASP 30 2HB ASP 30 9.709 -2.298 5.107 245 2HB ASP 30 1HB ASP 30 10.859 -3.555 4.661 246 H VAL 31 H VAL 31 10.641 -2.126 2.118 247 HA VAL 31 HA VAL 31 12.574 -3.968 1.200 248 HB VAL 31 HB VAL 31 10.548 -2.322 -0.318 249 1HG1 VAL 31 1HG1 VAL 31 11.696 -2.856 -2.154 250 2HG1 VAL 31 2HG1 VAL 31 11.160 -4.513 -1.874 251 3HG1 VAL 31 3HG1 VAL 31 12.732 -3.982 -1.277 252 1HG2 VAL 31 1HG2 VAL 31 10.495 -5.270 0.261 253 2HG2 VAL 31 2HG2 VAL 31 9.180 -4.240 -0.307 254 3HG2 VAL 31 3HG2 VAL 31 9.779 -4.076 1.344 255 H PHE 32 H PHE 32 12.011 -0.553 0.479 256 HA PHE 32 HA PHE 32 14.010 -0.101 -1.369 257 1HB PHE 32 2HB PHE 32 12.475 1.654 -0.951 258 2HB PHE 32 1HB PHE 32 12.836 1.666 0.771 259 HD1 PHE 32 1HD PHE 32 14.243 2.454 -2.562 260 HD2 PHE 32 2HD PHE 32 14.499 3.058 1.643 261 HE1 PHE 32 1HE PHE 32 15.880 4.256 -2.924 262 HE2 PHE 32 2HE PHE 32 16.135 4.859 1.289 263 HZ PHE 32 HZ PHE 32 16.828 5.461 -0.997 264 H ASN 33 H ASN 33 14.286 -0.797 1.984 265 HA ASN 33 HA ASN 33 17.128 -0.039 1.971 266 1HB ASN 33 2HB ASN 33 15.358 0.729 3.791 267 2HB ASN 33 1HB ASN 33 15.727 -0.849 4.480 268 1HD2 ASN 33 1HD2 ASN 33 17.152 -0.697 6.038 269 2HD2 ASN 33 2HD2 ASN 33 18.519 0.358 6.077 270 H PHE 34 H PHE 34 15.074 -2.673 1.685 271 HA PHE 34 HA PHE 34 16.612 -4.644 3.062 272 1HB PHE 34 2HB PHE 34 14.390 -5.272 2.758 273 2HB PHE 34 1HB PHE 34 14.354 -4.706 1.092 274 HD1 PHE 34 1HD PHE 34 15.675 -7.372 3.297 275 HD2 PHE 34 2HD PHE 34 14.772 -6.170 -0.685 276 HE1 PHE 34 1HE PHE 34 16.066 -9.674 2.517 277 HE2 PHE 34 2HE PHE 34 15.161 -8.469 -1.471 278 HZ PHE 34 HZ PHE 34 15.807 -10.224 0.131 279 H LEU 35 H LEU 35 16.592 -3.339 -0.188 280 HA LEU 35 HA LEU 35 18.515 -5.325 -1.105 281 1HB LEU 35 2HB LEU 35 18.238 -4.399 -3.283 282 2HB LEU 35 1HB LEU 35 16.647 -4.563 -2.566 283 HG LEU 35 HG LEU 35 17.652 -1.938 -2.009 284 1HD1 LEU 35 1HD1 LEU 35 18.404 -2.989 -4.591 285 2HD1 LEU 35 2HD1 LEU 35 18.811 -1.447 -3.839 286 3HD1 LEU 35 3HD1 LEU 35 17.308 -1.615 -4.746 287 1HD2 LEU 35 1HD2 LEU 35 15.597 -1.258 -3.062 288 2HD2 LEU 35 2HD2 LEU 35 15.288 -2.683 -2.069 289 3HD2 LEU 35 3HD2 LEU 35 15.417 -2.840 -3.821 290 H LYS 36 H LYS 36 19.319 -3.557 1.007 291 HA LYS 36 HA LYS 36 21.467 -2.075 -0.358 292 1HB LYS 36 2HB LYS 36 19.553 -1.175 1.587 293 2HB LYS 36 1HB LYS 36 21.172 -1.065 2.265 294 1HG LYS 36 2HG LYS 36 21.365 0.874 1.214 295 2HG LYS 36 1HG LYS 36 21.442 -0.042 -0.293 296 1HD LYS 36 2HD LYS 36 19.118 0.220 -0.677 297 2HD LYS 36 1HD LYS 36 18.845 0.816 0.962 298 1HE LYS 36 2HE LYS 36 18.781 2.732 -0.386 299 2HE LYS 36 1HE LYS 36 20.389 2.745 0.338 300 1HZ LYS 36 1HZ LYS 36 19.743 1.776 -2.395 301 2HZ LYS 36 2HZ LYS 36 21.284 1.822 -1.700 302 3HZ LYS 36 3HZ LYS 36 20.461 3.263 -2.024 303 HA PRO 37 HA PRO 37 23.256 -5.655 2.087 304 1HB PRO 37 2HB PRO 37 25.385 -5.786 0.294 305 2HB PRO 37 1HB PRO 37 23.939 -6.796 0.246 306 1HG PRO 37 2HG PRO 37 24.575 -4.323 -1.303 307 2HG PRO 37 1HG PRO 37 23.737 -5.795 -1.830 308 1HD PRO 37 2HD PRO 37 22.380 -3.562 -1.276 309 2HD PRO 37 1HD PRO 37 21.733 -5.157 -0.833 310 H LYS 38 H LYS 38 25.666 -5.840 2.740 311 HA LYS 38 HA LYS 38 26.378 -3.453 4.092 312 1HB LYS 38 2HB LYS 38 27.865 -6.048 3.679 313 2HB LYS 38 1HB LYS 38 28.471 -4.738 4.682 314 1HG LYS 38 2HG LYS 38 27.335 -5.558 6.389 315 2HG LYS 38 1HG LYS 38 25.831 -5.240 5.520 316 1HD LYS 38 2HD LYS 38 25.823 -7.546 6.101 317 2HD LYS 38 1HD LYS 38 26.152 -7.455 4.369 318 1HE LYS 38 2HE LYS 38 28.322 -8.141 4.606 319 2HE LYS 38 1HE LYS 38 28.463 -7.492 6.239 320 1HZ LYS 38 1HZ LYS 38 26.561 -9.465 6.405 321 2HZ LYS 38 2HZ LYS 38 28.161 -9.557 6.948 322 3HZ LYS 38 3HZ LYS 38 27.759 -10.117 5.404 323 H LYS 39 H LYS 39 26.923 -4.477 0.930 324 HA LYS 39 HA LYS 39 29.383 -3.842 0.116 325 1HB LYS 39 2HB LYS 39 26.931 -2.654 -1.191 326 2HB LYS 39 1HB LYS 39 28.476 -2.985 -1.961 327 1HG LYS 39 2HG LYS 39 28.083 -5.420 -1.375 328 2HG LYS 39 1HG LYS 39 26.427 -4.947 -0.988 329 1HD LYS 39 2HD LYS 39 26.233 -4.000 -3.283 330 2HD LYS 39 1HD LYS 39 27.827 -4.665 -3.643 331 1HE LYS 39 2HE LYS 39 27.034 -6.749 -3.874 332 2HE LYS 39 1HE LYS 39 25.967 -6.598 -2.480 333 1HZ LYS 39 1HZ LYS 39 24.325 -5.555 -3.789 334 2HZ LYS 39 2HZ LYS 39 24.843 -6.893 -4.684 335 3HZ LYS 39 3HZ LYS 39 25.376 -5.342 -5.098 336 H ARG 40 H ARG 40 26.988 -1.217 0.010 337 HA ARG 40 HA ARG 40 27.106 0.961 0.684 338 1HB ARG 40 2HB ARG 40 28.135 1.153 2.655 339 2HB ARG 40 1HB ARG 40 29.020 -0.332 2.357 340 1HG ARG 40 2HG ARG 40 30.847 0.852 1.401 341 2HG ARG 40 1HG ARG 40 29.929 2.359 1.365 342 1HD ARG 40 2HD ARG 40 30.858 2.830 3.335 343 2HD ARG 40 1HD ARG 40 29.818 1.580 4.015 344 HE ARG 40 HE ARG 40 31.939 0.160 3.182 345 1HH1 ARG 40 1HH1 ARG 40 31.677 3.077 5.067 346 2HH1 ARG 40 2HH1 ARG 40 33.111 2.766 5.988 347 1HH2 ARG 40 1HH2 ARG 40 33.827 -0.263 4.394 348 2HH2 ARG 40 2HH2 ARG 40 34.331 0.866 5.607 349 H LYS 41 H LYS 41 30.369 -0.134 -0.262 350 HA LYS 41 HA LYS 41 30.909 2.250 -1.739 351 1HB LYS 41 2HB LYS 41 32.334 -0.159 -0.975 352 2HB LYS 41 1HB LYS 41 32.670 0.281 -2.643 353 1HG LYS 41 2HG LYS 41 34.265 1.549 -1.706 354 2HG LYS 41 1HG LYS 41 32.936 2.684 -1.466 355 1HD LYS 41 2HD LYS 41 32.576 1.477 0.772 356 2HD LYS 41 1HD LYS 41 34.187 0.804 0.513 357 1HE LYS 41 2HE LYS 41 33.519 3.746 0.559 358 2HE LYS 41 1HE LYS 41 34.207 2.841 1.908 359 1HZ LYS 41 1HZ LYS 41 35.738 4.157 0.293 360 2HZ LYS 41 2HZ LYS 41 35.576 2.789 -0.689 361 3HZ LYS 41 3HZ LYS 41 36.220 2.639 0.867 362 H ALA 42 H ALA 42 30.043 2.740 -3.635 363 HA ALA 42 HA ALA 42 29.106 2.569 -5.703 364 1HB ALA 42 1HB ALA 42 30.079 0.851 -7.206 365 2HB ALA 42 2HB ALA 42 30.923 0.167 -5.816 366 3HB ALA 42 3HB ALA 42 31.289 1.807 -6.351 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 30.761 -7.365 2.655 2 2H ALA 1 2HT ALA 1 29.137 -7.894 2.819 3 3H ALA 1 3HT ALA 1 29.751 -6.670 3.853 4 HA ALA 1 HA ALA 1 29.758 -5.100 2.246 5 1HB ALA 1 1HB ALA 1 30.564 -7.208 0.602 6 2HB ALA 1 2HB ALA 1 30.433 -5.504 0.169 7 3HB ALA 1 3HB ALA 1 29.076 -6.592 -0.119 8 H LYS 2 H LYS 2 27.826 -4.971 3.636 9 HA LYS 2 HA LYS 2 25.446 -4.956 2.011 10 1HB LYS 2 2HB LYS 2 24.528 -6.205 4.359 11 2HB LYS 2 1HB LYS 2 24.556 -6.871 2.732 12 1HG LYS 2 2HG LYS 2 25.622 -8.392 4.266 13 2HG LYS 2 1HG LYS 2 26.817 -7.738 3.144 14 1HD LYS 2 2HD LYS 2 27.912 -6.591 4.767 15 2HD LYS 2 1HD LYS 2 26.438 -6.265 5.681 16 1HE LYS 2 2HE LYS 2 28.173 -7.856 6.706 17 2HE LYS 2 1HE LYS 2 26.480 -8.348 6.725 18 1HZ LYS 2 1HZ LYS 2 26.862 -9.763 4.848 19 2HZ LYS 2 2HZ LYS 2 28.011 -10.131 6.032 20 3HZ LYS 2 3HZ LYS 2 28.454 -9.213 4.682 21 H ILE 3 H ILE 3 26.527 -2.732 2.803 22 HA ILE 3 HA ILE 3 24.801 -1.844 4.995 23 HB ILE 3 HB ILE 3 27.673 -0.952 4.785 24 1HG1 ILE 3 2HG1 ILE 3 27.327 -3.363 5.496 25 2HG1 ILE 3 1HG1 ILE 3 28.175 -2.339 6.651 26 1HG2 ILE 3 1HG2 ILE 3 26.949 -0.249 7.230 27 2HG2 ILE 3 2HG2 ILE 3 25.359 -0.193 6.469 28 3HG2 ILE 3 3HG2 ILE 3 26.675 0.794 5.835 29 1HD1 ILE 3 1HD1 ILE 3 26.581 -3.755 7.782 30 2HD1 ILE 3 2HD1 ILE 3 25.276 -3.136 6.769 31 3HD1 ILE 3 3HD1 ILE 3 26.091 -2.067 7.911 32 HA PRO 4 HA PRO 4 25.433 1.862 2.170 33 1HB PRO 4 2HB PRO 4 27.543 2.015 0.490 34 2HB PRO 4 1HB PRO 4 27.685 2.339 2.220 35 1HG PRO 4 2HG PRO 4 28.719 0.088 0.676 36 2HG PRO 4 1HG PRO 4 29.126 0.596 2.322 37 1HD PRO 4 2HD PRO 4 27.281 -1.491 1.433 38 2HD PRO 4 1HD PRO 4 27.926 -1.184 3.054 39 H ILE 5 H ILE 5 27.114 0.021 -0.323 40 HA ILE 5 HA ILE 5 25.629 0.644 -2.479 41 HB ILE 5 HB ILE 5 25.998 -1.983 -3.029 42 1HG1 ILE 5 2HG1 ILE 5 28.359 -1.436 -1.287 43 2HG1 ILE 5 1HG1 ILE 5 26.884 -2.026 -0.528 44 1HG2 ILE 5 1HG2 ILE 5 28.535 -0.860 -3.343 45 2HG2 ILE 5 2HG2 ILE 5 27.400 0.485 -3.451 46 3HG2 ILE 5 3HG2 ILE 5 27.226 -0.903 -4.524 47 1HD1 ILE 5 1HD1 ILE 5 28.551 -3.378 -2.625 48 2HD1 ILE 5 2HD1 ILE 5 26.936 -3.925 -2.174 49 3HD1 ILE 5 3HD1 ILE 5 28.228 -3.909 -0.975 50 H LYS 6 H LYS 6 25.029 -2.310 -0.620 51 HA LYS 6 HA LYS 6 22.582 -2.971 -1.762 52 1HB LYS 6 2HB LYS 6 24.214 -3.978 0.278 53 2HB LYS 6 1HB LYS 6 22.664 -3.669 1.048 54 1HG LYS 6 2HG LYS 6 21.531 -5.108 -0.459 55 2HG LYS 6 1HG LYS 6 22.953 -5.244 -1.496 56 1HD LYS 6 2HD LYS 6 23.790 -6.906 -0.266 57 2HD LYS 6 1HD LYS 6 23.539 -6.011 1.234 58 1HE LYS 6 2HE LYS 6 21.123 -6.676 1.115 59 2HE LYS 6 1HE LYS 6 21.547 -7.730 -0.233 60 1HZ LYS 6 1HZ LYS 6 21.713 -8.292 2.482 61 2HZ LYS 6 2HZ LYS 6 23.304 -8.203 1.916 62 3HZ LYS 6 3HZ LYS 6 22.209 -9.269 1.192 63 H ALA 7 H ALA 7 23.379 -0.529 0.532 64 HA ALA 7 HA ALA 7 20.778 -0.223 1.662 65 1HB ALA 7 1HB ALA 7 21.953 0.993 3.098 66 2HB ALA 7 2HB ALA 7 22.200 2.213 1.849 67 3HB ALA 7 3HB ALA 7 23.364 0.905 2.046 68 H ILE 8 H ILE 8 22.554 1.367 -0.949 69 HA ILE 8 HA ILE 8 20.560 3.303 -1.504 70 HB ILE 8 HB ILE 8 22.905 3.562 -2.221 71 1HG1 ILE 8 2HG1 ILE 8 21.563 3.606 -4.833 72 2HG1 ILE 8 1HG1 ILE 8 20.636 4.358 -3.538 73 1HG2 ILE 8 1HG2 ILE 8 23.114 2.242 -4.616 74 2HG2 ILE 8 2HG2 ILE 8 22.342 1.046 -3.577 75 3HG2 ILE 8 3HG2 ILE 8 23.882 1.761 -3.104 76 1HD1 ILE 8 1HD1 ILE 8 23.341 5.108 -4.578 77 2HD1 ILE 8 2HD1 ILE 8 22.755 5.664 -3.010 78 3HD1 ILE 8 3HD1 ILE 8 21.880 6.091 -4.481 79 H LYS 9 H LYS 9 21.109 0.022 -2.610 80 HA LYS 9 HA LYS 9 19.139 0.171 -4.700 81 1HB LYS 9 2HB LYS 9 20.090 -2.410 -3.503 82 2HB LYS 9 1HB LYS 9 19.657 -2.055 -5.169 83 1HG LYS 9 2HG LYS 9 21.705 -0.604 -5.284 84 2HG LYS 9 1HG LYS 9 22.158 -1.260 -3.710 85 1HD LYS 9 2HD LYS 9 21.646 -2.899 -6.189 86 2HD LYS 9 1HD LYS 9 23.240 -2.446 -5.584 87 1HE LYS 9 2HE LYS 9 23.234 -4.199 -4.225 88 2HE LYS 9 1HE LYS 9 21.773 -3.597 -3.442 89 1HZ LYS 9 1HZ LYS 9 22.007 -5.883 -4.944 90 2HZ LYS 9 2HZ LYS 9 21.183 -4.802 -5.950 91 3HZ LYS 9 3HZ LYS 9 20.568 -5.165 -4.417 92 H THR 10 H THR 10 19.317 -1.089 -1.414 93 HA THR 10 HA THR 10 16.738 -2.227 -1.331 94 HB THR 10 HB THR 10 18.505 -1.171 0.881 95 HG1 THR 10 1HG THR 10 18.663 -3.575 1.144 96 1HG2 THR 10 1HG2 THR 10 17.217 -2.364 2.459 97 2HG2 THR 10 2HG2 THR 10 16.211 -3.079 1.199 98 3HG2 THR 10 3HG2 THR 10 16.100 -1.353 1.545 99 H VAL 11 H VAL 11 17.936 1.027 -0.809 100 HA VAL 11 HA VAL 11 15.590 2.061 0.413 101 HB VAL 11 HB VAL 11 17.934 3.339 -0.968 102 1HG1 VAL 11 1HG1 VAL 11 15.309 4.531 -0.501 103 2HG1 VAL 11 2HG1 VAL 11 16.651 5.097 -1.496 104 3HG1 VAL 11 3HG1 VAL 11 16.633 5.432 0.236 105 1HG2 VAL 11 1HG2 VAL 11 18.746 3.139 1.095 106 2HG2 VAL 11 2HG2 VAL 11 17.173 2.671 1.741 107 3HG2 VAL 11 3HG2 VAL 11 17.588 4.378 1.581 108 H GLY 12 H GLY 12 16.757 1.971 -2.925 109 1HA GLY 12 2HA GLY 12 14.697 3.462 -4.106 110 2HA GLY 12 1HA GLY 12 15.663 2.243 -4.926 111 H LYS 13 H LYS 13 14.833 0.111 -3.116 112 HA LYS 13 HA LYS 13 12.393 -0.600 -4.479 113 1HB LYS 13 2HB LYS 13 13.196 -2.384 -2.315 114 2HB LYS 13 1HB LYS 13 12.976 -2.723 -4.026 115 1HG LYS 13 2HG LYS 13 15.233 -1.678 -4.409 116 2HG LYS 13 1HG LYS 13 15.431 -1.669 -2.655 117 1HD LYS 13 2HD LYS 13 15.783 -3.889 -2.558 118 2HD LYS 13 1HD LYS 13 14.566 -4.236 -3.789 119 1HE LYS 13 2HE LYS 13 16.058 -3.980 -5.526 120 2HE LYS 13 1HE LYS 13 17.122 -2.928 -4.594 121 1HZ LYS 13 1HZ LYS 13 18.333 -4.666 -3.995 122 2HZ LYS 13 2HZ LYS 13 17.416 -5.639 -5.031 123 3HZ LYS 13 3HZ LYS 13 16.980 -5.492 -3.403 124 H ALA 14 H ALA 14 13.329 0.538 -1.325 125 HA ALA 14 HA ALA 14 10.871 -0.145 -0.025 126 1HB ALA 14 1HB ALA 14 12.123 0.266 1.762 127 2HB ALA 14 2HB ALA 14 12.138 1.980 1.347 128 3HB ALA 14 3HB ALA 14 13.403 0.914 0.737 129 H VAL 15 H VAL 15 12.098 2.643 -1.757 130 HA VAL 15 HA VAL 15 9.991 4.403 -0.956 131 HB VAL 15 HB VAL 15 12.017 4.552 -3.186 132 1HG1 VAL 15 1HG1 VAL 15 11.268 6.852 -3.575 133 2HG1 VAL 15 2HG1 VAL 15 9.949 6.615 -2.429 134 3HG1 VAL 15 3HG1 VAL 15 9.992 5.687 -3.928 135 1HG2 VAL 15 1HG2 VAL 15 13.194 5.036 -1.290 136 2HG2 VAL 15 2HG2 VAL 15 11.780 5.654 -0.436 137 3HG2 VAL 15 3HG2 VAL 15 12.570 6.643 -1.663 138 H GLY 16 H GLY 16 10.616 2.332 -3.742 139 1HA GLY 16 2HA GLY 16 8.349 3.148 -5.249 140 2HA GLY 16 1HA GLY 16 9.270 1.670 -5.485 141 H LYS 17 H LYS 17 8.884 0.601 -2.861 142 HA LYS 17 HA LYS 17 6.230 -0.483 -3.237 143 1HB LYS 17 2HB LYS 17 8.668 -1.318 -1.955 144 2HB LYS 17 1HB LYS 17 7.324 -1.459 -0.829 145 1HG LYS 17 2HG LYS 17 7.771 -3.517 -2.137 146 2HG LYS 17 1HG LYS 17 6.131 -2.890 -2.326 147 1HD LYS 17 2HD LYS 17 7.938 -1.767 -4.290 148 2HD LYS 17 1HD LYS 17 7.919 -3.531 -4.359 149 1HE LYS 17 2HE LYS 17 5.355 -1.993 -4.217 150 2HE LYS 17 1HE LYS 17 6.201 -2.170 -5.755 151 1HZ LYS 17 1HZ LYS 17 4.714 -4.125 -4.231 152 2HZ LYS 17 2HZ LYS 17 6.188 -4.692 -4.838 153 3HZ LYS 17 3HZ LYS 17 5.029 -4.056 -5.892 154 H GLY 18 H GLY 18 7.925 1.546 -0.910 155 1HA GLY 18 2HA GLY 18 5.959 1.647 1.083 156 2HA GLY 18 1HA GLY 18 7.140 2.910 0.761 157 H LEU 19 H LEU 19 6.314 3.455 -1.910 158 HA LEU 19 HA LEU 19 4.199 5.290 -1.381 159 1HB LEU 19 2HB LEU 19 6.009 5.785 -2.962 160 2HB LEU 19 1HB LEU 19 5.476 4.470 -3.992 161 HG LEU 19 HG LEU 19 4.797 6.677 -4.845 162 1HD1 LEU 19 1HD1 LEU 19 2.258 5.368 -4.027 163 2HD1 LEU 19 2HD1 LEU 19 3.411 4.460 -5.005 164 3HD1 LEU 19 3HD1 LEU 19 2.758 5.986 -5.602 165 1HD2 LEU 19 1HD2 LEU 19 3.985 8.249 -3.509 166 2HD2 LEU 19 2HD2 LEU 19 4.126 7.139 -2.146 167 3HD2 LEU 19 3HD2 LEU 19 2.628 7.210 -3.073 168 H ARG 20 H ARG 20 4.462 2.539 -3.621 169 HA ARG 20 HA ARG 20 1.781 2.525 -4.381 170 1HB ARG 20 2HB ARG 20 3.736 1.274 -5.455 171 2HB ARG 20 1HB ARG 20 3.480 0.041 -4.228 172 1HG ARG 20 2HG ARG 20 2.369 -0.133 -6.604 173 2HG ARG 20 1HG ARG 20 1.525 -0.678 -5.153 174 1HD ARG 20 2HD ARG 20 0.019 0.636 -6.504 175 2HD ARG 20 1HD ARG 20 0.398 1.519 -5.028 176 HE ARG 20 HE ARG 20 1.521 3.106 -6.281 177 1HH1 ARG 20 1HH1 ARG 20 0.647 0.381 -8.268 178 2HH1 ARG 20 2HH1 ARG 20 1.015 1.183 -9.758 179 1HH2 ARG 20 1HH2 ARG 20 2.004 4.174 -8.238 180 2HH2 ARG 20 2HH2 ARG 20 1.784 3.342 -9.741 181 H ALA 21 H ALA 21 3.327 1.350 -1.521 182 HA ALA 21 HA ALA 21 1.220 -0.423 -0.743 183 1HB ALA 21 1HB ALA 21 3.612 -0.572 0.045 184 2HB ALA 21 2HB ALA 21 2.389 -0.690 1.310 185 3HB ALA 21 3HB ALA 21 3.275 0.818 1.078 186 H ILE 22 H ILE 22 1.966 2.962 -0.263 187 HA ILE 22 HA ILE 22 0.013 3.398 1.775 188 HB ILE 22 HB ILE 22 1.419 5.293 -0.111 189 1HG1 ILE 22 2HG1 ILE 22 1.686 5.295 2.869 190 2HG1 ILE 22 1HG1 ILE 22 2.521 4.051 1.943 191 1HG2 ILE 22 1HG2 ILE 22 -0.466 6.531 0.261 192 2HG2 ILE 22 2HG2 ILE 22 0.485 6.991 1.672 193 3HG2 ILE 22 3HG2 ILE 22 -0.787 5.779 1.823 194 1HD1 ILE 22 1HD1 ILE 22 3.584 6.437 2.550 195 2HD1 ILE 22 2HD1 ILE 22 2.870 6.809 0.981 196 3HD1 ILE 22 3HD1 ILE 22 4.037 5.495 1.129 197 H ASN 23 H ASN 23 -0.027 3.018 -1.625 198 HA ASN 23 HA ASN 23 -2.450 4.417 -2.165 199 1HB ASN 23 2HB ASN 23 -1.731 4.083 -4.244 200 2HB ASN 23 1HB ASN 23 -0.442 3.077 -3.631 201 1HD2 ASN 23 1HD2 ASN 23 -3.752 3.067 -4.796 202 2HD2 ASN 23 2HD2 ASN 23 -3.750 1.431 -5.350 203 H ILE 24 H ILE 24 -1.753 0.939 -2.245 204 HA ILE 24 HA ILE 24 -4.403 0.102 -2.283 205 HB ILE 24 HB ILE 24 -3.664 -2.041 -2.045 206 1HG1 ILE 24 2HG1 ILE 24 -2.886 -1.576 0.385 207 2HG1 ILE 24 1HG1 ILE 24 -2.137 -2.900 -0.494 208 1HG2 ILE 24 1HG2 ILE 24 -1.540 -2.325 -3.087 209 2HG2 ILE 24 2HG2 ILE 24 -1.006 -0.731 -2.557 210 3HG2 ILE 24 3HG2 ILE 24 -2.292 -0.877 -3.755 211 1HD1 ILE 24 1HD1 ILE 24 -0.126 -1.917 -0.532 212 2HD1 ILE 24 2HD1 ILE 24 -0.765 -1.054 0.867 213 3HD1 ILE 24 3HD1 ILE 24 -0.796 -0.297 -0.726 214 H ALA 25 H ALA 25 -2.483 1.439 0.190 215 HA ALA 25 HA ALA 25 -4.153 0.498 2.332 216 1HB ALA 25 1HB ALA 25 -1.600 1.077 2.391 217 2HB ALA 25 2HB ALA 25 -2.622 1.412 3.789 218 3HB ALA 25 3HB ALA 25 -2.189 2.714 2.680 219 H SER 26 H SER 26 -3.900 3.236 0.210 220 HA SER 26 HA SER 26 -5.707 4.834 1.856 221 1HB SER 26 2HB SER 26 -3.751 5.414 -0.140 222 2HB SER 26 1HB SER 26 -5.308 6.013 -0.713 223 HG SER 26 HG SER 26 -4.985 6.599 1.893 224 H THR 27 H THR 27 -5.824 2.614 -0.729 225 HA THR 27 HA THR 27 -8.391 3.514 -1.728 226 HB THR 27 HB THR 27 -6.692 1.096 -2.373 227 HG1 THR 27 1HG THR 27 -6.329 2.232 -4.296 228 1HG2 THR 27 1HG2 THR 27 -8.159 0.917 -4.397 229 2HG2 THR 27 2HG2 THR 27 -9.296 1.983 -3.573 230 3HG2 THR 27 3HG2 THR 27 -8.895 0.414 -2.875 231 H ALA 28 H ALA 28 -7.074 1.155 0.472 232 HA ALA 28 HA ALA 28 -9.336 -0.516 0.712 233 1HB ALA 28 1HB ALA 28 -6.831 -0.079 2.180 234 2HB ALA 28 2HB ALA 28 -7.641 -1.582 1.739 235 3HB ALA 28 3HB ALA 28 -8.165 -0.682 3.162 236 H ASN 29 H ASN 29 -8.452 2.547 2.190 237 HA ASN 29 HA ASN 29 -10.598 2.462 4.108 238 1HB ASN 29 2HB ASN 29 -8.862 4.781 3.231 239 2HB ASN 29 1HB ASN 29 -9.940 4.778 4.623 240 1HD2 ASN 29 1HD2 ASN 29 -6.948 5.016 4.232 241 2HD2 ASN 29 2HD2 ASN 29 -6.287 3.881 5.354 242 H ASP 30 H ASP 30 -9.917 4.494 1.269 243 HA ASP 30 HA ASP 30 -12.340 5.823 1.142 244 1HB ASP 30 2HB ASP 30 -10.115 5.320 -0.667 245 2HB ASP 30 1HB ASP 30 -11.649 5.413 -1.527 246 H VAL 31 H VAL 31 -11.476 2.613 0.035 247 HA VAL 31 HA VAL 31 -13.798 2.052 -1.462 248 HB VAL 31 HB VAL 31 -11.746 0.341 -0.092 249 1HG1 VAL 31 1HG1 VAL 31 -14.209 -0.676 -1.502 250 2HG1 VAL 31 2HG1 VAL 31 -13.798 -0.899 0.199 251 3HG1 VAL 31 3HG1 VAL 31 -12.817 -1.661 -1.053 252 1HG2 VAL 31 1HG2 VAL 31 -11.294 1.488 -2.266 253 2HG2 VAL 31 2HG2 VAL 31 -12.557 0.489 -2.985 254 3HG2 VAL 31 3HG2 VAL 31 -11.115 -0.266 -2.304 255 H PHE 32 H PHE 32 -12.916 1.081 1.830 256 HA PHE 32 HA PHE 32 -15.122 -0.186 2.706 257 1HB PHE 32 2HB PHE 32 -13.062 0.402 4.046 258 2HB PHE 32 1HB PHE 32 -13.794 1.975 4.341 259 HD1 PHE 32 1HD PHE 32 -16.246 -0.570 4.145 260 HD2 PHE 32 2HD PHE 32 -13.379 1.181 6.756 261 HE1 PHE 32 1HE PHE 32 -17.449 -1.498 6.081 262 HE2 PHE 32 2HE PHE 32 -14.575 0.255 8.697 263 HZ PHE 32 HZ PHE 32 -16.613 -1.086 8.361 264 H ASN 33 H ASN 33 -14.805 3.287 2.293 265 HA ASN 33 HA ASN 33 -17.363 3.898 3.406 266 1HB ASN 33 2HB ASN 33 -15.278 5.428 1.902 267 2HB ASN 33 1HB ASN 33 -16.874 6.132 2.143 268 1HD2 ASN 33 1HD2 ASN 33 -15.880 7.774 3.390 269 2HD2 ASN 33 2HD2 ASN 33 -15.413 7.482 5.028 270 H PHE 34 H PHE 34 -16.106 3.639 0.101 271 HA PHE 34 HA PHE 34 -18.480 4.393 -1.207 272 1HB PHE 34 2HB PHE 34 -15.974 3.950 -2.055 273 2HB PHE 34 1HB PHE 34 -16.705 2.423 -2.541 274 HD1 PHE 34 1HD PHE 34 -18.000 5.919 -2.532 275 HD2 PHE 34 2HD PHE 34 -17.035 2.460 -4.816 276 HE1 PHE 34 1HE PHE 34 -18.911 6.999 -4.545 277 HE2 PHE 34 2HE PHE 34 -17.944 3.535 -6.834 278 HZ PHE 34 HZ PHE 34 -18.884 5.808 -6.700 279 H LEU 35 H LEU 35 -17.298 1.276 -0.086 280 HA LEU 35 HA LEU 35 -19.934 0.131 -0.732 281 1HB LEU 35 2HB LEU 35 -18.296 -2.048 -0.652 282 2HB LEU 35 1HB LEU 35 -18.829 -1.238 -2.113 283 HG LEU 35 HG LEU 35 -16.347 -0.254 -0.790 284 1HD1 LEU 35 1HD1 LEU 35 -15.338 -2.045 -2.546 285 2HD1 LEU 35 2HD1 LEU 35 -16.719 -2.942 -1.914 286 3HD1 LEU 35 3HD1 LEU 35 -15.487 -2.329 -0.811 287 1HD2 LEU 35 1HD2 LEU 35 -17.512 0.737 -2.848 288 2HD2 LEU 35 2HD2 LEU 35 -16.895 -0.673 -3.709 289 3HD2 LEU 35 3HD2 LEU 35 -15.774 0.451 -2.940 290 H LYS 36 H LYS 36 -19.854 1.246 1.622 291 HA LYS 36 HA LYS 36 -18.823 -0.473 3.677 292 1HB LYS 36 2HB LYS 36 -18.819 1.638 4.508 293 2HB LYS 36 1HB LYS 36 -20.183 2.140 3.524 294 1HG LYS 36 2HG LYS 36 -21.620 0.764 5.129 295 2HG LYS 36 1HG LYS 36 -20.200 0.740 6.174 296 1HD LYS 36 2HD LYS 36 -20.307 3.362 5.585 297 2HD LYS 36 1HD LYS 36 -22.022 2.957 5.488 298 1HE LYS 36 2HE LYS 36 -21.956 2.034 7.733 299 2HE LYS 36 1HE LYS 36 -20.223 2.341 7.830 300 1HZ LYS 36 1HZ LYS 36 -20.560 4.628 7.927 301 2HZ LYS 36 2HZ LYS 36 -21.783 4.009 8.917 302 3HZ LYS 36 3HZ LYS 36 -22.147 4.531 7.349 303 HA PRO 37 HA PRO 37 -23.353 -1.636 4.404 304 1HB PRO 37 2HB PRO 37 -25.348 -0.327 3.233 305 2HB PRO 37 1HB PRO 37 -24.465 0.393 4.585 306 1HG PRO 37 2HG PRO 37 -24.172 0.906 1.648 307 2HG PRO 37 1HG PRO 37 -24.217 2.069 2.986 308 1HD PRO 37 2HD PRO 37 -21.904 1.154 1.805 309 2HD PRO 37 1HD PRO 37 -22.001 1.783 3.462 310 H LYS 38 H LYS 38 -21.843 -2.828 2.477 311 HA LYS 38 HA LYS 38 -22.828 -3.213 -0.051 312 1HB LYS 38 2HB LYS 38 -21.148 -4.708 1.795 313 2HB LYS 38 1HB LYS 38 -22.068 -5.770 0.739 314 1HG LYS 38 2HG LYS 38 -20.920 -5.159 -1.103 315 2HG LYS 38 1HG LYS 38 -20.734 -3.488 -0.566 316 1HD LYS 38 2HD LYS 38 -18.743 -3.897 0.387 317 2HD LYS 38 1HD LYS 38 -19.286 -5.428 1.078 318 1HE LYS 38 2HE LYS 38 -19.078 -5.616 -1.789 319 2HE LYS 38 1HE LYS 38 -17.559 -5.055 -1.090 320 1HZ LYS 38 1HZ LYS 38 -17.882 -6.990 0.533 321 2HZ LYS 38 2HZ LYS 38 -17.379 -7.350 -1.041 322 3HZ LYS 38 3HZ LYS 38 -18.993 -7.586 -0.596 323 H LYS 39 H LYS 39 -24.239 -4.172 2.940 324 HA LYS 39 HA LYS 39 -25.929 -6.225 1.889 325 1HB LYS 39 2HB LYS 39 -25.325 -5.112 4.457 326 2HB LYS 39 1HB LYS 39 -27.070 -5.141 4.245 327 1HG LYS 39 2HG LYS 39 -27.095 -7.297 4.726 328 2HG LYS 39 1HG LYS 39 -26.051 -7.624 3.341 329 1HD LYS 39 2HD LYS 39 -24.816 -6.586 5.845 330 2HD LYS 39 1HD LYS 39 -25.326 -8.275 5.792 331 1HE LYS 39 2HE LYS 39 -23.733 -8.852 4.284 332 2HE LYS 39 1HE LYS 39 -23.775 -7.285 3.478 333 1HZ LYS 39 1HZ LYS 39 -22.183 -6.461 4.813 334 2HZ LYS 39 2HZ LYS 39 -21.783 -8.087 5.049 335 3HZ LYS 39 3HZ LYS 39 -22.736 -7.278 6.188 336 H ARG 40 H ARG 40 -26.234 -2.761 2.420 337 HA ARG 40 HA ARG 40 -27.831 -1.254 1.811 338 1HB ARG 40 2HB ARG 40 -27.319 -2.522 -0.402 339 2HB ARG 40 1HB ARG 40 -28.898 -3.256 -0.157 340 1HG ARG 40 2HG ARG 40 -30.008 -1.369 -0.684 341 2HG ARG 40 1HG ARG 40 -28.800 -0.320 0.059 342 1HD ARG 40 2HD ARG 40 -27.803 -1.736 -2.285 343 2HD ARG 40 1HD ARG 40 -29.180 -0.694 -2.642 344 HE ARG 40 HE ARG 40 -27.647 0.963 -1.241 345 1HH1 ARG 40 1HH1 ARG 40 -26.837 -1.232 -3.820 346 2HH1 ARG 40 2HH1 ARG 40 -25.513 -0.274 -4.393 347 1HH2 ARG 40 1HH2 ARG 40 -25.906 2.230 -1.985 348 2HH2 ARG 40 2HH2 ARG 40 -24.984 1.696 -3.350 349 H LYS 41 H LYS 41 -30.361 -1.116 1.324 350 HA LYS 41 HA LYS 41 -31.860 -3.123 2.798 351 1HB LYS 41 2HB LYS 41 -32.401 -0.347 3.688 352 2HB LYS 41 1HB LYS 41 -32.498 -1.856 4.584 353 1HG LYS 41 2HG LYS 41 -29.826 -0.802 3.790 354 2HG LYS 41 1HG LYS 41 -30.676 -0.086 5.160 355 1HD LYS 41 2HD LYS 41 -30.926 -2.816 5.566 356 2HD LYS 41 1HD LYS 41 -29.280 -2.623 4.958 357 1HE LYS 41 2HE LYS 41 -29.462 -0.570 6.742 358 2HE LYS 41 1HE LYS 41 -30.457 -1.805 7.513 359 1HZ LYS 41 1HZ LYS 41 -28.315 -2.198 8.296 360 2HZ LYS 41 2HZ LYS 41 -27.596 -1.941 6.787 361 3HZ LYS 41 3HZ LYS 41 -28.498 -3.344 7.065 362 H ALA 42 H ALA 42 -32.160 0.185 1.495 363 HA ALA 42 HA ALA 42 -33.915 1.170 0.377 364 1HB ALA 42 1HB ALA 42 -33.459 0.654 -1.730 365 2HB ALA 42 2HB ALA 42 -34.315 -0.879 -1.571 366 3HB ALA 42 3HB ALA 42 -32.599 -0.781 -1.172 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 -32.412 5.249 2.024 2 2H ALA 1 2HT ALA 1 -32.244 5.961 3.576 3 3H ALA 1 3HT ALA 1 -33.670 5.095 3.177 4 HA ALA 1 HA ALA 1 -30.961 3.963 3.354 5 1HB ALA 1 1HB ALA 1 -31.529 4.435 5.558 6 2HB ALA 1 2HB ALA 1 -32.075 2.771 5.348 7 3HB ALA 1 3HB ALA 1 -33.239 4.095 5.293 8 H LYS 2 H LYS 2 -31.043 2.672 1.568 9 HA LYS 2 HA LYS 2 -33.338 0.849 1.323 10 1HB LYS 2 2HB LYS 2 -31.270 1.701 -0.709 11 2HB LYS 2 1HB LYS 2 -32.486 0.465 -1.002 12 1HG LYS 2 2HG LYS 2 -34.191 1.973 -1.140 13 2HG LYS 2 1HG LYS 2 -33.399 3.131 -0.070 14 1HD LYS 2 2HD LYS 2 -31.793 3.658 -1.854 15 2HD LYS 2 1HD LYS 2 -32.620 2.523 -2.922 16 1HE LYS 2 2HE LYS 2 -33.764 4.340 -3.585 17 2HE LYS 2 1HE LYS 2 -34.690 4.071 -2.109 18 1HZ LYS 2 1HZ LYS 2 -32.778 6.158 -2.740 19 2HZ LYS 2 2HZ LYS 2 -32.664 5.525 -1.176 20 3HZ LYS 2 3HZ LYS 2 -34.122 6.194 -1.712 21 H ILE 3 H ILE 3 -30.328 0.136 -0.260 22 HA ILE 3 HA ILE 3 -29.569 -1.790 1.791 23 HB ILE 3 HB ILE 3 -29.238 -3.257 -0.524 24 1HG1 ILE 3 2HG1 ILE 3 -30.938 -1.440 -1.420 25 2HG1 ILE 3 1HG1 ILE 3 -31.090 -3.131 -1.884 26 1HG2 ILE 3 1HG2 ILE 3 -31.462 -3.414 1.502 27 2HG2 ILE 3 2HG2 ILE 3 -29.855 -4.124 1.661 28 3HG2 ILE 3 3HG2 ILE 3 -30.963 -4.715 0.422 29 1HD1 ILE 3 1HD1 ILE 3 -32.533 -2.492 0.558 30 2HD1 ILE 3 2HD1 ILE 3 -33.075 -3.322 -0.901 31 3HD1 ILE 3 3HD1 ILE 3 -33.073 -1.560 -0.838 32 HA PRO 4 HA PRO 4 -26.067 0.058 -0.827 33 1HB PRO 4 2HB PRO 4 -25.431 2.315 0.445 34 2HB PRO 4 1HB PRO 4 -26.762 2.271 -0.720 35 1HG PRO 4 2HG PRO 4 -26.863 2.184 2.274 36 2HG PRO 4 1HG PRO 4 -27.875 3.107 1.148 37 1HD PRO 4 2HD PRO 4 -28.624 0.722 2.292 38 2HD PRO 4 1HD PRO 4 -29.258 1.337 0.752 39 H ILE 5 H ILE 5 -26.630 -0.556 2.510 40 HA ILE 5 HA ILE 5 -24.372 -0.211 3.885 41 HB ILE 5 HB ILE 5 -25.760 -2.889 3.811 42 1HG1 ILE 5 2HG1 ILE 5 -26.536 -1.075 5.944 43 2HG1 ILE 5 1HG1 ILE 5 -26.895 -0.402 4.357 44 1HG2 ILE 5 1HG2 ILE 5 -24.727 -3.415 5.756 45 2HG2 ILE 5 2HG2 ILE 5 -24.656 -1.739 6.300 46 3HG2 ILE 5 3HG2 ILE 5 -23.496 -2.330 5.110 47 1HD1 ILE 5 1HD1 ILE 5 -28.548 -2.023 5.714 48 2HD1 ILE 5 2HD1 ILE 5 -27.669 -3.210 4.751 49 3HD1 ILE 5 3HD1 ILE 5 -28.527 -1.891 3.956 50 H LYS 6 H LYS 6 -24.709 -3.406 2.391 51 HA LYS 6 HA LYS 6 -22.155 -4.255 2.490 52 1HB LYS 6 2HB LYS 6 -24.428 -5.124 1.223 53 2HB LYS 6 1HB LYS 6 -23.348 -4.821 -0.130 54 1HG LYS 6 2HG LYS 6 -22.544 -6.858 0.233 55 2HG LYS 6 1HG LYS 6 -21.755 -6.181 1.659 56 1HD LYS 6 2HD LYS 6 -22.888 -7.917 2.626 57 2HD LYS 6 1HD LYS 6 -24.112 -6.652 2.754 58 1HE LYS 6 2HE LYS 6 -25.190 -8.610 1.930 59 2HE LYS 6 1HE LYS 6 -25.061 -7.472 0.589 60 1HZ LYS 6 1HZ LYS 6 -24.443 -9.921 0.203 61 2HZ LYS 6 2HZ LYS 6 -22.999 -9.538 0.995 62 3HZ LYS 6 3HZ LYS 6 -23.424 -8.725 -0.425 63 H ALA 7 H ALA 7 -23.383 -1.800 0.336 64 HA ALA 7 HA ALA 7 -21.144 -1.806 -1.432 65 1HB ALA 7 1HB ALA 7 -22.695 0.684 -1.166 66 2HB ALA 7 2HB ALA 7 -23.615 -0.757 -1.598 67 3HB ALA 7 3HB ALA 7 -22.263 -0.240 -2.605 68 H ILE 8 H ILE 8 -22.062 0.180 1.358 69 HA ILE 8 HA ILE 8 -19.842 1.920 1.212 70 HB ILE 8 HB ILE 8 -20.394 2.438 3.597 71 1HG1 ILE 8 2HG1 ILE 8 -22.832 0.728 3.264 72 2HG1 ILE 8 1HG1 ILE 8 -21.347 0.027 3.900 73 1HG2 ILE 8 1HG2 ILE 8 -23.022 2.731 2.517 74 2HG2 ILE 8 2HG2 ILE 8 -21.828 2.981 1.243 75 3HG2 ILE 8 3HG2 ILE 8 -21.759 3.946 2.718 76 1HD1 ILE 8 1HD1 ILE 8 -22.557 2.492 5.095 77 2HD1 ILE 8 2HD1 ILE 8 -21.398 1.370 5.806 78 3HD1 ILE 8 3HD1 ILE 8 -23.073 0.873 5.566 79 H LYS 9 H LYS 9 -20.245 -1.292 2.422 80 HA LYS 9 HA LYS 9 -17.997 -1.259 4.191 81 1HB LYS 9 2HB LYS 9 -19.176 -3.724 2.926 82 2HB LYS 9 1HB LYS 9 -18.362 -3.579 4.478 83 1HG LYS 9 2HG LYS 9 -20.510 -1.865 4.716 84 2HG LYS 9 1HG LYS 9 -21.159 -3.229 3.802 85 1HD LYS 9 2HD LYS 9 -19.510 -3.674 6.265 86 2HD LYS 9 1HD LYS 9 -21.233 -3.310 6.384 87 1HE LYS 9 2HE LYS 9 -21.125 -5.266 4.445 88 2HE LYS 9 1HE LYS 9 -19.887 -5.769 5.596 89 1HZ LYS 9 1HZ LYS 9 -22.035 -6.704 6.158 90 2HZ LYS 9 2HZ LYS 9 -22.719 -5.159 6.252 91 3HZ LYS 9 3HZ LYS 9 -21.534 -5.627 7.364 92 H THR 10 H THR 10 -18.556 -2.374 0.881 93 HA THR 10 HA THR 10 -15.929 -3.375 0.487 94 HB THR 10 HB THR 10 -18.099 -2.529 -1.432 95 HG1 THR 10 1HG THR 10 -17.858 -4.636 -0.015 96 1HG2 THR 10 1HG2 THR 10 -15.694 -4.089 -2.279 97 2HG2 THR 10 2HG2 THR 10 -15.726 -2.329 -2.381 98 3HG2 THR 10 3HG2 THR 10 -16.910 -3.286 -3.271 99 H VAL 11 H VAL 11 -17.423 -0.243 0.162 100 HA VAL 11 HA VAL 11 -15.373 0.993 -1.354 101 HB VAL 11 HB VAL 11 -17.333 2.276 0.552 102 1HG1 VAL 11 1HG1 VAL 11 -16.217 4.151 0.135 103 2HG1 VAL 11 2HG1 VAL 11 -16.717 4.007 -1.550 104 3HG1 VAL 11 3HG1 VAL 11 -15.172 3.336 -1.028 105 1HG2 VAL 11 1HG2 VAL 11 -17.873 2.557 -2.282 106 2HG2 VAL 11 2HG2 VAL 11 -18.936 2.033 -0.976 107 3HG2 VAL 11 3HG2 VAL 11 -17.875 0.869 -1.770 108 H GLY 12 H GLY 12 -16.063 0.857 2.122 109 1HA GLY 12 2HA GLY 12 -13.959 2.488 2.988 110 2HA GLY 12 1HA GLY 12 -14.707 1.214 3.943 111 H LYS 13 H LYS 13 -14.036 -0.927 2.152 112 HA LYS 13 HA LYS 13 -11.322 -1.370 3.037 113 1HB LYS 13 2HB LYS 13 -13.190 -3.128 1.434 114 2HB LYS 13 1HB LYS 13 -11.629 -3.628 2.072 115 1HG LYS 13 2HG LYS 13 -14.008 -2.763 3.705 116 2HG LYS 13 1HG LYS 13 -13.456 -4.422 3.468 117 1HD LYS 13 2HD LYS 13 -11.828 -4.217 4.999 118 2HD LYS 13 1HD LYS 13 -11.372 -2.610 4.431 119 1HE LYS 13 2HE LYS 13 -13.585 -1.865 5.568 120 2HE LYS 13 1HE LYS 13 -13.449 -3.391 6.439 121 1HZ LYS 13 1HZ LYS 13 -12.032 -2.420 7.809 122 2HZ LYS 13 2HZ LYS 13 -12.116 -0.973 6.938 123 3HZ LYS 13 3HZ LYS 13 -10.960 -2.139 6.530 124 H ALA 14 H ALA 14 -12.943 -0.403 0.150 125 HA ALA 14 HA ALA 14 -10.914 -1.154 -1.698 126 1HB ALA 14 1HB ALA 14 -12.077 0.483 -3.213 127 2HB ALA 14 2HB ALA 14 -13.169 0.832 -1.872 128 3HB ALA 14 3HB ALA 14 -13.102 -0.793 -2.554 129 H VAL 15 H VAL 15 -11.699 1.868 -0.024 130 HA VAL 15 HA VAL 15 -9.560 3.352 -1.168 131 HB VAL 15 HB VAL 15 -9.983 4.819 0.948 132 1HG1 VAL 15 1HG1 VAL 15 -12.280 4.518 -0.966 133 2HG1 VAL 15 2HG1 VAL 15 -10.726 5.199 -1.448 134 3HG1 VAL 15 3HG1 VAL 15 -11.682 5.986 -0.192 135 1HG2 VAL 15 1HG2 VAL 15 -12.641 3.480 0.985 136 2HG2 VAL 15 2HG2 VAL 15 -11.833 4.422 2.240 137 3HG2 VAL 15 3HG2 VAL 15 -11.317 2.768 1.908 138 H GLY 16 H GLY 16 -9.967 1.403 1.727 139 1HA GLY 16 2HA GLY 16 -7.516 2.140 2.969 140 2HA GLY 16 1HA GLY 16 -8.474 0.711 3.336 141 H LYS 17 H LYS 17 -8.422 -0.416 0.707 142 HA LYS 17 HA LYS 17 -5.956 -1.813 0.861 143 1HB LYS 17 2HB LYS 17 -8.301 -1.824 -0.990 144 2HB LYS 17 1HB LYS 17 -6.816 -2.607 -1.511 145 1HG LYS 17 2HG LYS 17 -8.232 -3.235 1.067 146 2HG LYS 17 1HG LYS 17 -8.465 -4.127 -0.438 147 1HD LYS 17 2HD LYS 17 -5.978 -4.530 -0.448 148 2HD LYS 17 1HD LYS 17 -5.943 -3.869 1.188 149 1HE LYS 17 2HE LYS 17 -7.998 -5.897 0.849 150 2HE LYS 17 1HE LYS 17 -6.383 -6.509 0.492 151 1HZ LYS 17 1HZ LYS 17 -5.668 -6.120 2.626 152 2HZ LYS 17 2HZ LYS 17 -7.274 -6.570 2.904 153 3HZ LYS 17 3HZ LYS 17 -6.836 -4.936 2.936 154 H GLY 18 H GLY 18 -7.155 0.826 -1.122 155 1HA GLY 18 2HA GLY 18 -5.094 0.849 -3.046 156 2HA GLY 18 1HA GLY 18 -6.097 2.224 -2.606 157 H LEU 19 H LEU 19 -5.417 2.541 0.053 158 HA LEU 19 HA LEU 19 -3.057 4.047 -0.114 159 1HB LEU 19 2HB LEU 19 -3.519 4.706 2.009 160 2HB LEU 19 1HB LEU 19 -5.080 4.015 1.615 161 HG LEU 19 HG LEU 19 -4.184 1.844 2.679 162 1HD1 LEU 19 1HD1 LEU 19 -2.481 3.328 4.482 163 2HD1 LEU 19 2HD1 LEU 19 -1.857 3.349 2.832 164 3HD1 LEU 19 3HD1 LEU 19 -2.179 1.811 3.633 165 1HD2 LEU 19 1HD2 LEU 19 -4.476 3.080 5.041 166 2HD2 LEU 19 2HD2 LEU 19 -5.827 2.713 3.968 167 3HD2 LEU 19 3HD2 LEU 19 -5.119 4.329 3.974 168 H ARG 20 H ARG 20 -3.702 0.861 1.266 169 HA ARG 20 HA ARG 20 -1.140 0.380 2.278 170 1HB ARG 20 2HB ARG 20 -2.947 -1.001 2.994 171 2HB ARG 20 1HB ARG 20 -3.338 -1.470 1.353 172 1HG ARG 20 2HG ARG 20 -0.805 -2.229 2.796 173 2HG ARG 20 1HG ARG 20 -2.237 -3.244 2.678 174 1HD ARG 20 2HD ARG 20 -0.299 -2.449 0.539 175 2HD ARG 20 1HD ARG 20 -0.879 -4.045 0.985 176 HE ARG 20 HE ARG 20 -2.797 -2.168 -0.172 177 1HH1 ARG 20 1HH1 ARG 20 -0.827 -5.030 -0.539 178 2HH1 ARG 20 2HH1 ARG 20 -1.678 -5.584 -1.938 179 1HH2 ARG 20 1HH2 ARG 20 -3.913 -2.899 -2.011 180 2HH2 ARG 20 2HH2 ARG 20 -3.429 -4.375 -2.776 181 H ALA 21 H ALA 21 -2.602 -0.406 -0.852 182 HA ALA 21 HA ALA 21 -0.457 -1.754 -1.986 183 1HB ALA 21 1HB ALA 21 -1.382 -0.804 -4.186 184 2HB ALA 21 2HB ALA 21 -2.619 -0.046 -3.184 185 3HB ALA 21 3HB ALA 21 -2.456 -1.802 -3.207 186 H ILE 22 H ILE 22 -0.977 1.640 -1.434 187 HA ILE 22 HA ILE 22 1.232 2.481 -3.069 188 HB ILE 22 HB ILE 22 -0.526 3.911 -1.083 189 1HG1 ILE 22 2HG1 ILE 22 -0.124 4.918 -3.828 190 2HG1 ILE 22 1HG1 ILE 22 -0.892 3.338 -3.722 191 1HG2 ILE 22 1HG2 ILE 22 1.378 5.104 -0.642 192 2HG2 ILE 22 2HG2 ILE 22 0.787 5.975 -2.057 193 3HG2 ILE 22 3HG2 ILE 22 2.077 4.786 -2.229 194 1HD1 ILE 22 1HD1 ILE 22 -2.014 5.924 -3.301 195 2HD1 ILE 22 2HD1 ILE 22 -2.164 4.971 -1.825 196 3HD1 ILE 22 3HD1 ILE 22 -2.815 4.354 -3.343 197 H ASN 23 H ASN 23 0.834 1.152 0.045 198 HA ASN 23 HA ASN 23 3.273 2.320 1.097 199 1HB ASN 23 2HB ASN 23 2.703 1.439 3.126 200 2HB ASN 23 1HB ASN 23 1.109 1.545 2.405 201 1HD2 ASN 23 1HD2 ASN 23 3.846 -0.651 2.831 202 2HD2 ASN 23 2HD2 ASN 23 2.898 -2.089 2.970 203 H ILE 24 H ILE 24 2.136 -0.938 0.321 204 HA ILE 24 HA ILE 24 4.556 -2.270 0.599 205 HB ILE 24 HB ILE 24 3.641 -3.907 -1.034 206 1HG1 ILE 24 2HG1 ILE 24 1.201 -3.452 -1.714 207 2HG1 ILE 24 1HG1 ILE 24 1.552 -1.767 -1.341 208 1HG2 ILE 24 1HG2 ILE 24 1.665 -3.010 1.054 209 2HG2 ILE 24 2HG2 ILE 24 3.065 -4.045 1.338 210 3HG2 ILE 24 3HG2 ILE 24 1.744 -4.610 0.316 211 1HD1 ILE 24 1HD1 ILE 24 1.959 -3.038 -3.750 212 2HD1 ILE 24 2HD1 ILE 24 3.572 -2.937 -3.044 213 3HD1 ILE 24 3HD1 ILE 24 2.612 -1.476 -3.265 214 H ALA 25 H ALA 25 3.297 -0.131 -1.796 215 HA ALA 25 HA ALA 25 5.329 -0.718 -3.744 216 1HB ALA 25 1HB ALA 25 3.587 1.715 -3.818 217 2HB ALA 25 2HB ALA 25 2.921 0.125 -4.187 218 3HB ALA 25 3HB ALA 25 4.242 0.775 -5.158 219 H SER 26 H SER 26 4.705 1.561 -1.178 220 HA SER 26 HA SER 26 6.749 3.427 -1.852 221 1HB SER 26 2HB SER 26 5.200 2.853 0.673 222 2HB SER 26 1HB SER 26 6.482 4.064 0.631 223 HG SER 26 HG SER 26 5.279 5.004 -1.172 224 H THR 27 H THR 27 6.599 0.490 0.042 225 HA THR 27 HA THR 27 9.163 0.736 1.243 226 HB THR 27 HB THR 27 7.327 -1.611 0.775 227 HG1 THR 27 1HG THR 27 7.961 0.038 2.967 228 1HG2 THR 27 1HG2 THR 27 10.102 -1.623 1.721 229 2HG2 THR 27 2HG2 THR 27 9.118 -2.923 1.048 230 3HG2 THR 27 3HG2 THR 27 8.946 -2.473 2.745 231 H ALA 28 H ALA 28 7.926 -0.819 -1.669 232 HA ALA 28 HA ALA 28 10.219 -2.175 -2.474 233 1HB ALA 28 1HB ALA 28 9.135 -2.557 -4.435 234 2HB ALA 28 2HB ALA 28 8.576 -0.891 -4.580 235 3HB ALA 28 3HB ALA 28 7.760 -2.002 -3.480 236 H ASN 29 H ASN 29 9.311 1.204 -2.851 237 HA ASN 29 HA ASN 29 11.315 1.960 -4.666 238 1HB ASN 29 2HB ASN 29 9.442 3.318 -2.867 239 2HB ASN 29 1HB ASN 29 10.943 4.204 -3.119 240 1HD2 ASN 29 1HD2 ASN 29 7.910 3.478 -4.352 241 2HD2 ASN 29 2HD2 ASN 29 8.107 4.153 -5.930 242 H ASP 30 H ASP 30 11.263 2.657 -1.177 243 HA ASP 30 HA ASP 30 13.868 3.448 -0.865 244 1HB ASP 30 2HB ASP 30 11.949 3.292 0.878 245 2HB ASP 30 1HB ASP 30 12.576 1.677 1.195 246 H VAL 31 H VAL 31 12.606 0.230 -1.289 247 HA VAL 31 HA VAL 31 14.960 -1.178 -0.527 248 HB VAL 31 HB VAL 31 12.559 -1.974 -2.166 249 1HG1 VAL 31 1HG1 VAL 31 13.937 -3.505 -3.092 250 2HG1 VAL 31 2HG1 VAL 31 13.684 -4.340 -1.559 251 3HG1 VAL 31 3HG1 VAL 31 15.133 -3.366 -1.804 252 1HG2 VAL 31 1HG2 VAL 31 11.651 -2.463 -0.201 253 2HG2 VAL 31 2HG2 VAL 31 13.085 -1.829 0.607 254 3HG2 VAL 31 3HG2 VAL 31 12.997 -3.537 0.177 255 H PHE 32 H PHE 32 13.506 -0.610 -3.722 256 HA PHE 32 HA PHE 32 15.484 -1.580 -5.336 257 1HB PHE 32 2HB PHE 32 13.533 -0.833 -6.416 258 2HB PHE 32 1HB PHE 32 13.625 0.762 -5.676 259 HD1 PHE 32 1HD PHE 32 16.201 -1.204 -7.502 260 HD2 PHE 32 2HD PHE 32 13.752 2.274 -7.415 261 HE1 PHE 32 1HE PHE 32 17.351 -0.350 -9.503 262 HE2 PHE 32 2HE PHE 32 14.895 3.135 -9.416 263 HZ PHE 32 HZ PHE 32 16.697 1.821 -10.463 264 H ASN 33 H ASN 33 15.432 1.442 -3.573 265 HA ASN 33 HA ASN 33 17.827 2.460 -4.806 266 1HB ASN 33 2HB ASN 33 16.165 4.035 -4.004 267 2HB ASN 33 1HB ASN 33 16.272 3.372 -2.376 268 1HD2 ASN 33 1HD2 ASN 33 18.458 3.477 -1.373 269 2HD2 ASN 33 2HD2 ASN 33 19.391 4.905 -1.650 270 H PHE 34 H PHE 34 17.018 0.484 -2.090 271 HA PHE 34 HA PHE 34 19.342 0.861 -0.534 272 1HB PHE 34 2HB PHE 34 16.996 -0.707 -0.400 273 2HB PHE 34 1HB PHE 34 18.348 -1.831 -0.313 274 HD1 PHE 34 1HD PHE 34 18.654 -2.479 1.866 275 HD2 PHE 34 2HD PHE 34 17.839 1.612 1.028 276 HE1 PHE 34 1HE PHE 34 18.944 -1.938 4.249 277 HE2 PHE 34 2HE PHE 34 18.128 2.161 3.409 278 HZ PHE 34 HZ PHE 34 18.682 0.385 5.023 279 H LEU 35 H LEU 35 18.628 -1.123 -3.319 280 HA LEU 35 HA LEU 35 21.118 -2.598 -3.094 281 1HB LEU 35 2HB LEU 35 19.292 -2.685 -5.469 282 2HB LEU 35 1HB LEU 35 20.352 -3.937 -4.849 283 HG LEU 35 HG LEU 35 18.049 -3.037 -3.174 284 1HD1 LEU 35 1HD1 LEU 35 17.189 -5.282 -4.603 285 2HD1 LEU 35 2HD1 LEU 35 17.799 -4.149 -5.810 286 3HD1 LEU 35 3HD1 LEU 35 16.541 -3.643 -4.683 287 1HD2 LEU 35 1HD2 LEU 35 20.029 -4.831 -2.768 288 2HD2 LEU 35 2HD2 LEU 35 18.786 -5.868 -3.467 289 3HD2 LEU 35 3HD2 LEU 35 18.436 -4.927 -2.018 290 H LYS 36 H LYS 36 20.714 0.431 -3.789 291 HA LYS 36 HA LYS 36 22.087 0.555 -6.349 292 1HB LYS 36 2HB LYS 36 20.385 2.298 -4.887 293 2HB LYS 36 1HB LYS 36 21.931 3.111 -5.085 294 1HG LYS 36 2HG LYS 36 20.438 3.681 -6.897 295 2HG LYS 36 1HG LYS 36 21.806 2.745 -7.505 296 1HD LYS 36 2HD LYS 36 20.459 0.753 -7.614 297 2HD LYS 36 1HD LYS 36 19.106 1.578 -6.838 298 1HE LYS 36 2HE LYS 36 18.991 1.305 -9.363 299 2HE LYS 36 1HE LYS 36 18.704 2.922 -8.722 300 1HZ LYS 36 1HZ LYS 36 20.556 3.719 -9.677 301 2HZ LYS 36 2HZ LYS 36 20.408 2.383 -10.703 302 3HZ LYS 36 3HZ LYS 36 21.461 2.320 -9.381 303 HA PRO 37 HA PRO 37 25.541 2.267 -3.610 304 1HB PRO 37 2HB PRO 37 25.103 3.070 -1.126 305 2HB PRO 37 1HB PRO 37 24.483 4.013 -2.487 306 1HG PRO 37 2HG PRO 37 23.036 2.135 -0.668 307 2HG PRO 37 1HG PRO 37 22.498 3.686 -1.336 308 1HD PRO 37 2HD PRO 37 21.866 1.155 -2.353 309 2HD PRO 37 1HD PRO 37 21.686 2.696 -3.213 310 H LYS 38 H LYS 38 24.394 -0.510 -3.432 311 HA LYS 38 HA LYS 38 25.031 -2.522 -2.589 312 1HB LYS 38 2HB LYS 38 27.292 -0.853 -2.270 313 2HB LYS 38 1HB LYS 38 27.131 -1.783 -0.786 314 1HG LYS 38 2HG LYS 38 27.490 -2.795 -3.587 315 2HG LYS 38 1HG LYS 38 28.530 -3.045 -2.184 316 1HD LYS 38 2HD LYS 38 26.047 -4.036 -1.409 317 2HD LYS 38 1HD LYS 38 26.240 -4.570 -3.080 318 1HE LYS 38 2HE LYS 38 28.724 -5.013 -1.930 319 2HE LYS 38 1HE LYS 38 27.579 -5.477 -0.672 320 1HZ LYS 38 1HZ LYS 38 28.021 -6.659 -3.314 321 2HZ LYS 38 2HZ LYS 38 26.453 -6.702 -2.682 322 3HZ LYS 38 3HZ LYS 38 27.728 -7.416 -1.829 323 H LYS 39 H LYS 39 25.913 -0.442 0.149 324 HA LYS 39 HA LYS 39 24.151 -2.043 1.850 325 1HB LYS 39 2HB LYS 39 25.857 0.051 3.058 326 2HB LYS 39 1HB LYS 39 25.544 -1.595 3.591 327 1HG LYS 39 2HG LYS 39 27.430 -0.729 1.411 328 2HG LYS 39 1HG LYS 39 27.857 -1.379 2.995 329 1HD LYS 39 2HD LYS 39 26.296 -2.874 0.889 330 2HD LYS 39 1HD LYS 39 28.031 -3.047 1.164 331 1HE LYS 39 2HE LYS 39 27.217 -3.488 3.645 332 2HE LYS 39 1HE LYS 39 25.736 -3.966 2.816 333 1HZ LYS 39 1HZ LYS 39 26.666 -5.892 2.303 334 2HZ LYS 39 2HZ LYS 39 28.061 -5.458 3.155 335 3HZ LYS 39 3HZ LYS 39 27.940 -5.117 1.503 336 H ARG 40 H ARG 40 25.089 1.388 2.013 337 HA ARG 40 HA ARG 40 22.618 2.493 1.392 338 1HB ARG 40 2HB ARG 40 21.481 2.810 3.394 339 2HB ARG 40 1HB ARG 40 22.063 1.159 3.535 340 1HG ARG 40 2HG ARG 40 23.078 3.621 4.912 341 2HG ARG 40 1HG ARG 40 22.443 2.139 5.624 342 1HD ARG 40 2HD ARG 40 24.402 0.918 4.754 343 2HD ARG 40 1HD ARG 40 25.046 2.435 4.129 344 HE ARG 40 HE ARG 40 24.764 3.064 6.681 345 1HH1 ARG 40 1HH1 ARG 40 26.027 0.149 5.248 346 2HH1 ARG 40 2HH1 ARG 40 27.092 -0.192 6.571 347 1HH2 ARG 40 1HH2 ARG 40 26.163 2.622 8.425 348 2HH2 ARG 40 2HH2 ARG 40 27.169 1.212 8.376 349 H LYS 41 H LYS 41 25.379 3.019 1.050 350 HA LYS 41 HA LYS 41 26.661 4.894 0.804 351 1HB LYS 41 2HB LYS 41 24.756 6.390 2.594 352 2HB LYS 41 1HB LYS 41 25.839 7.043 1.373 353 1HG LYS 41 2HG LYS 41 23.335 5.441 0.916 354 2HG LYS 41 1HG LYS 41 23.607 7.143 0.539 355 1HD LYS 41 2HD LYS 41 25.396 5.080 -0.664 356 2HD LYS 41 1HD LYS 41 23.781 5.316 -1.334 357 1HE LYS 41 2HE LYS 41 24.329 7.766 -1.499 358 2HE LYS 41 1HE LYS 41 25.991 7.345 -1.090 359 1HZ LYS 41 1HZ LYS 41 25.940 7.409 -3.406 360 2HZ LYS 41 2HZ LYS 41 24.455 6.606 -3.504 361 3HZ LYS 41 3HZ LYS 41 25.845 5.757 -3.050 362 H ALA 42 H ALA 42 27.189 2.963 2.755 363 HA ALA 42 HA ALA 42 27.619 3.667 5.339 364 1HB ALA 42 1HB ALA 42 28.232 1.494 4.271 365 2HB ALA 42 2HB ALA 42 29.431 2.111 5.407 366 3HB ALA 42 3HB ALA 42 29.700 2.264 3.671 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -32.631 7.504 -0.666 2 2H ALA 1 2HT ALA 1 -33.149 6.504 0.629 3 3H ALA 1 3HT ALA 1 -32.843 5.821 -0.915 4 HA ALA 1 HA ALA 1 -30.526 6.627 -0.670 5 1HB ALA 1 1HB ALA 1 -31.075 8.197 1.180 6 2HB ALA 1 2HB ALA 1 -29.730 7.113 1.536 7 3HB ALA 1 3HB ALA 1 -31.321 6.802 2.230 8 H LYS 2 H LYS 2 -31.064 4.406 -1.498 9 HA LYS 2 HA LYS 2 -30.641 2.370 0.590 10 1HB LYS 2 2HB LYS 2 -31.559 1.596 -2.133 11 2HB LYS 2 1HB LYS 2 -31.945 0.881 -0.574 12 1HG LYS 2 2HG LYS 2 -33.940 1.842 -0.899 13 2HG LYS 2 1HG LYS 2 -33.128 3.299 -0.322 14 1HD LYS 2 2HD LYS 2 -34.362 3.750 -2.375 15 2HD LYS 2 1HD LYS 2 -32.626 3.930 -2.637 16 1HE LYS 2 2HE LYS 2 -32.485 1.898 -3.811 17 2HE LYS 2 1HE LYS 2 -34.063 1.362 -3.237 18 1HZ LYS 2 1HZ LYS 2 -33.542 3.561 -5.165 19 2HZ LYS 2 2HZ LYS 2 -35.068 3.160 -4.555 20 3HZ LYS 2 3HZ LYS 2 -34.225 2.052 -5.515 21 H ILE 3 H ILE 3 -29.423 3.792 -2.307 22 HA ILE 3 HA ILE 3 -27.529 1.657 -2.817 23 HB ILE 3 HB ILE 3 -27.606 4.370 -4.128 24 1HG1 ILE 3 2HG1 ILE 3 -28.752 2.511 -5.864 25 2HG1 ILE 3 1HG1 ILE 3 -29.487 2.160 -4.302 26 1HG2 ILE 3 1HG2 ILE 3 -26.373 1.724 -4.834 27 2HG2 ILE 3 2HG2 ILE 3 -25.583 3.289 -4.636 28 3HG2 ILE 3 3HG2 ILE 3 -26.627 2.998 -6.028 29 1HD1 ILE 3 1HD1 ILE 3 -30.908 3.802 -4.716 30 2HD1 ILE 3 2HD1 ILE 3 -29.986 4.326 -6.124 31 3HD1 ILE 3 3HD1 ILE 3 -29.566 4.929 -4.521 32 HA PRO 4 HA PRO 4 -24.734 5.575 -1.465 33 1HB PRO 4 2HB PRO 4 -26.599 6.218 0.782 34 2HB PRO 4 1HB PRO 4 -25.538 7.293 -0.138 35 1HG PRO 4 2HG PRO 4 -28.145 7.242 -0.635 36 2HG PRO 4 1HG PRO 4 -26.977 7.364 -1.964 37 1HD PRO 4 2HD PRO 4 -28.603 5.027 -1.075 38 2HD PRO 4 1HD PRO 4 -28.083 5.487 -2.709 39 H ILE 5 H ILE 5 -26.672 3.502 0.633 40 HA ILE 5 HA ILE 5 -24.669 3.238 2.649 41 HB ILE 5 HB ILE 5 -27.074 2.829 3.093 42 1HG1 ILE 5 2HG1 ILE 5 -25.191 1.860 4.483 43 2HG1 ILE 5 1HG1 ILE 5 -26.734 1.021 4.614 44 1HG2 ILE 5 1HG2 ILE 5 -26.675 0.248 1.590 45 2HG2 ILE 5 2HG2 ILE 5 -27.513 1.656 0.938 46 3HG2 ILE 5 3HG2 ILE 5 -28.157 0.824 2.354 47 1HD1 ILE 5 1HD1 ILE 5 -25.610 -0.844 4.209 48 2HD1 ILE 5 2HD1 ILE 5 -24.166 0.048 3.728 49 3HD1 ILE 5 3HD1 ILE 5 -25.435 -0.277 2.548 50 H LYS 6 H LYS 6 -25.772 1.163 -0.002 51 HA LYS 6 HA LYS 6 -23.810 -0.852 0.471 52 1HB LYS 6 2HB LYS 6 -26.116 -0.755 -0.976 53 2HB LYS 6 1HB LYS 6 -24.917 -0.617 -2.254 54 1HG LYS 6 2HG LYS 6 -25.406 -2.911 -2.037 55 2HG LYS 6 1HG LYS 6 -23.822 -2.672 -1.297 56 1HD LYS 6 2HD LYS 6 -24.697 -2.842 0.882 57 2HD LYS 6 1HD LYS 6 -26.356 -2.633 0.318 58 1HE LYS 6 2HE LYS 6 -24.562 -5.021 -0.066 59 2HE LYS 6 1HE LYS 6 -26.062 -4.937 0.857 60 1HZ LYS 6 1HZ LYS 6 -26.797 -5.878 -1.069 61 2HZ LYS 6 2HZ LYS 6 -25.671 -5.077 -2.044 62 3HZ LYS 6 3HZ LYS 6 -27.024 -4.247 -1.458 63 H ALA 7 H ALA 7 -23.786 2.202 -1.041 64 HA ALA 7 HA ALA 7 -21.615 1.682 -2.852 65 1HB ALA 7 1HB ALA 7 -23.483 3.537 -2.919 66 2HB ALA 7 2HB ALA 7 -21.877 3.837 -3.582 67 3HB ALA 7 3HB ALA 7 -22.297 4.444 -1.980 68 H ILE 8 H ILE 8 -21.993 3.112 0.354 69 HA ILE 8 HA ILE 8 -19.303 3.974 0.623 70 HB ILE 8 HB ILE 8 -20.858 4.972 2.098 71 1HG1 ILE 8 2HG1 ILE 8 -18.568 4.188 3.026 72 2HG1 ILE 8 1HG1 ILE 8 -19.788 4.751 4.164 73 1HG2 ILE 8 1HG2 ILE 8 -21.648 2.164 2.815 74 2HG2 ILE 8 2HG2 ILE 8 -22.649 3.442 2.124 75 3HG2 ILE 8 3HG2 ILE 8 -22.100 3.559 3.796 76 1HD1 ILE 8 1HD1 ILE 8 -19.675 2.832 5.250 77 2HD1 ILE 8 2HD1 ILE 8 -18.424 2.287 4.134 78 3HD1 ILE 8 3HD1 ILE 8 -20.121 1.952 3.789 79 H LYS 9 H LYS 9 -21.003 0.995 1.357 80 HA LYS 9 HA LYS 9 -18.964 -0.267 2.835 81 1HB LYS 9 2HB LYS 9 -21.108 -1.518 1.108 82 2HB LYS 9 1HB LYS 9 -20.152 -2.359 2.320 83 1HG LYS 9 2HG LYS 9 -21.733 0.023 3.143 84 2HG LYS 9 1HG LYS 9 -22.567 -1.505 2.855 85 1HD LYS 9 2HD LYS 9 -21.307 -2.614 4.527 86 2HD LYS 9 1HD LYS 9 -20.163 -1.276 4.650 87 1HE LYS 9 2HE LYS 9 -22.408 0.038 5.245 88 2HE LYS 9 1HE LYS 9 -22.882 -1.571 5.788 89 1HZ LYS 9 1HZ LYS 9 -21.132 -1.636 7.323 90 2HZ LYS 9 2HZ LYS 9 -21.782 -0.084 7.483 91 3HZ LYS 9 3HZ LYS 9 -20.339 -0.311 6.629 92 H THR 10 H THR 10 -19.766 -0.300 -0.614 93 HA THR 10 HA THR 10 -17.860 -2.137 -1.473 94 HB THR 10 HB THR 10 -18.753 0.317 -2.993 95 HG1 THR 10 1HG THR 10 -20.512 -0.840 -3.605 96 1HG2 THR 10 1HG2 THR 10 -18.238 -2.344 -4.220 97 2HG2 THR 10 2HG2 THR 10 -16.889 -1.258 -3.886 98 3HG2 THR 10 3HG2 THR 10 -18.198 -0.738 -4.948 99 H VAL 11 H VAL 11 -17.579 1.319 -0.841 100 HA VAL 11 HA VAL 11 -14.990 1.695 -1.860 101 HB VAL 11 HB VAL 11 -16.497 3.132 0.318 102 1HG1 VAL 11 1HG1 VAL 11 -13.756 3.727 -0.780 103 2HG1 VAL 11 2HG1 VAL 11 -14.198 3.405 0.896 104 3HG1 VAL 11 3HG1 VAL 11 -14.729 4.894 0.115 105 1HG2 VAL 11 1HG2 VAL 11 -16.391 4.963 -1.461 106 2HG2 VAL 11 2HG2 VAL 11 -17.457 3.593 -1.773 107 3HG2 VAL 11 3HG2 VAL 11 -15.887 3.687 -2.570 108 H GLY 12 H GLY 12 -16.100 0.931 1.427 109 1HA GLY 12 2HA GLY 12 -13.683 0.850 2.752 110 2HA GLY 12 1HA GLY 12 -15.040 -0.205 3.129 111 H LYS 13 H LYS 13 -15.066 -1.513 0.557 112 HA LYS 13 HA LYS 13 -13.173 -3.569 1.093 113 1HB LYS 13 2HB LYS 13 -14.680 -3.218 -1.493 114 2HB LYS 13 1HB LYS 13 -14.109 -4.713 -0.765 115 1HG LYS 13 2HG LYS 13 -16.377 -2.975 0.169 116 2HG LYS 13 1HG LYS 13 -16.469 -4.610 -0.489 117 1HD LYS 13 2HD LYS 13 -14.734 -4.311 1.866 118 2HD LYS 13 1HD LYS 13 -16.449 -4.016 2.161 119 1HE LYS 13 2HE LYS 13 -15.854 -6.362 2.538 120 2HE LYS 13 1HE LYS 13 -17.007 -6.184 1.215 121 1HZ LYS 13 1HZ LYS 13 -15.048 -6.279 -0.312 122 2HZ LYS 13 2HZ LYS 13 -15.370 -7.717 0.517 123 3HZ LYS 13 3HZ LYS 13 -14.097 -6.722 1.017 124 H ALA 14 H ALA 14 -13.372 -0.946 -1.257 125 HA ALA 14 HA ALA 14 -11.116 -1.694 -2.789 126 1HB ALA 14 1HB ALA 14 -11.358 1.118 -2.864 127 2HB ALA 14 2HB ALA 14 -12.991 0.459 -2.756 128 3HB ALA 14 3HB ALA 14 -11.916 -0.055 -4.056 129 H VAL 15 H VAL 15 -11.507 0.670 -0.168 130 HA VAL 15 HA VAL 15 -8.831 1.465 0.006 131 HB VAL 15 HB VAL 15 -10.667 1.243 2.388 132 1HG1 VAL 15 1HG1 VAL 15 -8.750 3.465 1.806 133 2HG1 VAL 15 2HG1 VAL 15 -8.178 1.952 2.509 134 3HG1 VAL 15 3HG1 VAL 15 -9.389 2.916 3.356 135 1HG2 VAL 15 1HG2 VAL 15 -11.205 3.701 1.650 136 2HG2 VAL 15 2HG2 VAL 15 -12.102 2.344 0.968 137 3HG2 VAL 15 3HG2 VAL 15 -10.793 3.087 0.048 138 H GLY 16 H GLY 16 -10.481 -1.384 1.100 139 1HA GLY 16 2HA GLY 16 -8.530 -2.252 2.990 140 2HA GLY 16 1HA GLY 16 -9.774 -3.251 2.251 141 H LYS 17 H LYS 17 -9.255 -3.370 -0.327 142 HA LYS 17 HA LYS 17 -7.005 -5.048 -0.521 143 1HB LYS 17 2HB LYS 17 -7.525 -5.283 -2.800 144 2HB LYS 17 1HB LYS 17 -9.078 -4.979 -2.034 145 1HG LYS 17 2HG LYS 17 -9.143 -3.640 -3.918 146 2HG LYS 17 1HG LYS 17 -8.655 -2.516 -2.649 147 1HD LYS 17 2HD LYS 17 -6.834 -2.009 -3.814 148 2HD LYS 17 1HD LYS 17 -6.302 -3.688 -3.700 149 1HE LYS 17 2HE LYS 17 -8.290 -2.800 -5.766 150 2HE LYS 17 1HE LYS 17 -6.553 -2.657 -6.034 151 1HZ LYS 17 1HZ LYS 17 -6.876 -5.213 -5.151 152 2HZ LYS 17 2HZ LYS 17 -6.667 -4.740 -6.761 153 3HZ LYS 17 3HZ LYS 17 -8.224 -4.977 -6.146 154 H GLY 18 H GLY 18 -7.455 -1.632 -0.910 155 1HA GLY 18 2HA GLY 18 -5.035 -1.102 -2.332 156 2HA GLY 18 1HA GLY 18 -6.004 0.074 -1.454 157 H LEU 19 H LEU 19 -5.867 -1.569 1.010 158 HA LEU 19 HA LEU 19 -3.533 -0.388 2.127 159 1HB LEU 19 2HB LEU 19 -4.542 -0.820 4.078 160 2HB LEU 19 1HB LEU 19 -5.898 -1.394 3.130 161 HG LEU 19 HG LEU 19 -4.862 -3.699 3.235 162 1HD1 LEU 19 1HD1 LEU 19 -3.399 -3.346 5.631 163 2HD1 LEU 19 2HD1 LEU 19 -2.751 -2.222 4.437 164 3HD1 LEU 19 3HD1 LEU 19 -2.827 -3.946 4.074 165 1HD2 LEU 19 1HD2 LEU 19 -6.600 -2.471 4.885 166 2HD2 LEU 19 2HD2 LEU 19 -5.347 -2.934 6.037 167 3HD2 LEU 19 3HD2 LEU 19 -6.126 -4.163 5.040 168 H ARG 20 H ARG 20 -4.483 -3.710 1.373 169 HA ARG 20 HA ARG 20 -2.253 -5.080 2.207 170 1HB ARG 20 2HB ARG 20 -3.775 -6.576 1.413 171 2HB ARG 20 1HB ARG 20 -4.329 -5.492 0.147 172 1HG ARG 20 2HG ARG 20 -3.300 -7.546 -0.728 173 2HG ARG 20 1HG ARG 20 -2.456 -6.087 -1.249 174 1HD ARG 20 2HD ARG 20 -1.034 -8.061 -0.469 175 2HD ARG 20 1HD ARG 20 -0.655 -6.476 0.191 176 HE ARG 20 HE ARG 20 -1.439 -7.163 2.267 177 1HH1 ARG 20 1HH1 ARG 20 -1.945 -9.638 -0.138 178 2HH1 ARG 20 2HH1 ARG 20 -2.296 -10.871 1.026 179 1HH2 ARG 20 1HH2 ARG 20 -1.908 -8.781 3.798 180 2HH2 ARG 20 2HH2 ARG 20 -2.286 -10.383 3.258 181 H ALA 21 H ALA 21 -2.798 -3.749 -1.041 182 HA ALA 21 HA ALA 21 -0.324 -4.252 -2.140 183 1HB ALA 21 1HB ALA 21 -0.818 -2.601 -3.765 184 2HB ALA 21 2HB ALA 21 -1.849 -1.708 -2.647 185 3HB ALA 21 3HB ALA 21 -2.373 -3.273 -3.270 186 H ILE 22 H ILE 22 -1.299 -1.656 0.012 187 HA ILE 22 HA ILE 22 1.121 -0.172 -0.184 188 HB ILE 22 HB ILE 22 -1.070 -0.218 1.891 189 1HG1 ILE 22 2HG1 ILE 22 -0.327 2.097 0.137 190 2HG1 ILE 22 1HG1 ILE 22 -1.288 0.777 -0.523 191 1HG2 ILE 22 1HG2 ILE 22 1.518 1.271 1.864 192 2HG2 ILE 22 2HG2 ILE 22 0.706 0.458 3.202 193 3HG2 ILE 22 3HG2 ILE 22 0.086 1.994 2.596 194 1HD1 ILE 22 1HD1 ILE 22 -2.099 2.977 1.122 195 2HD1 ILE 22 2HD1 ILE 22 -2.499 1.447 1.902 196 3HD1 ILE 22 3HD1 ILE 22 -3.085 1.786 0.274 197 H ASN 23 H ASN 23 0.280 -3.099 1.272 198 HA ASN 23 HA ASN 23 2.154 -2.992 3.437 199 1HB ASN 23 2HB ASN 23 1.011 -4.761 4.163 200 2HB ASN 23 1HB ASN 23 -0.051 -4.546 2.793 201 1HD2 ASN 23 1HD2 ASN 23 3.020 -6.061 3.685 202 2HD2 ASN 23 2HD2 ASN 23 2.790 -7.487 2.738 203 H ILE 24 H ILE 24 1.946 -5.079 0.571 204 HA ILE 24 HA ILE 24 4.617 -5.951 0.739 205 HB ILE 24 HB ILE 24 4.281 -7.093 -1.217 206 1HG1 ILE 24 2HG1 ILE 24 3.991 -4.957 -2.578 207 2HG1 ILE 24 1HG1 ILE 24 3.114 -6.369 -3.154 208 1HG2 ILE 24 1HG2 ILE 24 2.447 -7.549 0.409 209 2HG2 ILE 24 2HG2 ILE 24 2.064 -7.955 -1.264 210 3HG2 ILE 24 3HG2 ILE 24 1.415 -6.482 -0.543 211 1HD1 ILE 24 1HD1 ILE 24 1.980 -4.003 -2.970 212 2HD1 ILE 24 2HD1 ILE 24 1.709 -4.532 -1.309 213 3HD1 ILE 24 3HD1 ILE 24 1.088 -5.491 -2.651 214 H ALA 25 H ALA 25 3.126 -3.079 -0.329 215 HA ALA 25 HA ALA 25 5.380 -2.173 -1.885 216 1HB ALA 25 1HB ALA 25 2.758 -0.930 -1.105 217 2HB ALA 25 2HB ALA 25 3.322 -1.388 -2.712 218 3HB ALA 25 3HB ALA 25 4.034 0.001 -1.891 219 H SER 26 H SER 26 4.175 -2.051 1.355 220 HA SER 26 HA SER 26 5.732 0.217 2.183 221 1HB SER 26 2HB SER 26 3.928 -1.741 3.487 222 2HB SER 26 1HB SER 26 5.176 -1.039 4.516 223 HG SER 26 HG SER 26 4.400 1.014 3.967 224 H THR 27 H THR 27 6.235 -3.188 1.883 225 HA THR 27 HA THR 27 8.662 -3.146 3.486 226 HB THR 27 HB THR 27 7.174 -5.302 1.994 227 HG1 THR 27 1HG THR 27 7.940 -5.131 4.714 228 1HG2 THR 27 1HG2 THR 27 8.773 -6.934 2.626 229 2HG2 THR 27 2HG2 THR 27 9.734 -5.742 3.501 230 3HG2 THR 27 3HG2 THR 27 9.627 -5.670 1.742 231 H ALA 28 H ALA 28 7.617 -2.934 0.206 232 HA ALA 28 HA ALA 28 10.147 -3.559 -0.992 233 1HB ALA 28 1HB ALA 28 7.481 -2.699 -1.925 234 2HB ALA 28 2HB ALA 28 8.565 -3.936 -2.561 235 3HB ALA 28 3HB ALA 28 8.846 -2.237 -2.942 236 H ASN 29 H ASN 29 8.578 -0.671 0.218 237 HA ASN 29 HA ASN 29 10.287 1.174 -1.127 238 1HB ASN 29 2HB ASN 29 9.180 2.852 0.021 239 2HB ASN 29 1HB ASN 29 7.971 1.574 0.027 240 1HD2 ASN 29 1HD2 ASN 29 6.939 1.574 1.873 241 2HD2 ASN 29 2HD2 ASN 29 7.638 1.770 3.440 242 H ASP 30 H ASP 30 10.293 -0.295 2.086 243 HA ASP 30 HA ASP 30 12.566 1.080 3.054 244 1HB ASP 30 2HB ASP 30 11.023 -0.061 4.572 245 2HB ASP 30 1HB ASP 30 11.432 -1.613 3.849 246 H VAL 31 H VAL 31 12.114 -1.977 1.380 247 HA VAL 31 HA VAL 31 14.783 -2.878 1.469 248 HB VAL 31 HB VAL 31 12.525 -3.430 -0.453 249 1HG1 VAL 31 1HG1 VAL 31 14.122 -5.468 -0.980 250 2HG1 VAL 31 2HG1 VAL 31 15.365 -4.287 -0.567 251 3HG1 VAL 31 3HG1 VAL 31 14.229 -3.951 -1.873 252 1HG2 VAL 31 1HG2 VAL 31 13.814 -5.180 1.632 253 2HG2 VAL 31 2HG2 VAL 31 12.383 -5.550 0.670 254 3HG2 VAL 31 3HG2 VAL 31 12.329 -4.258 1.869 255 H PHE 32 H PHE 32 12.958 -1.078 -0.952 256 HA PHE 32 HA PHE 32 14.777 -0.785 -2.967 257 1HB PHE 32 2HB PHE 32 12.347 0.335 -2.359 258 2HB PHE 32 1HB PHE 32 13.416 1.731 -2.302 259 HD1 PHE 32 1HD PHE 32 11.114 0.803 -4.289 260 HD2 PHE 32 2HD PHE 32 15.365 0.874 -4.419 261 HE1 PHE 32 1HE PHE 32 11.030 0.958 -6.745 262 HE2 PHE 32 2HE PHE 32 15.292 1.029 -6.876 263 HZ PHE 32 HZ PHE 32 13.122 1.072 -8.041 264 H ASN 33 H ASN 33 14.602 1.067 0.034 265 HA ASN 33 HA ASN 33 16.892 2.683 -0.676 266 1HB ASN 33 2HB ASN 33 14.759 2.853 1.208 267 2HB ASN 33 1HB ASN 33 16.278 2.908 2.097 268 1HD2 ASN 33 1HD2 ASN 33 14.472 4.384 -0.533 269 2HD2 ASN 33 2HD2 ASN 33 15.238 5.929 -0.436 270 H PHE 34 H PHE 34 16.197 -0.123 1.304 271 HA PHE 34 HA PHE 34 18.523 -0.186 2.849 272 1HB PHE 34 2HB PHE 34 16.319 -1.923 2.328 273 2HB PHE 34 1HB PHE 34 17.803 -2.862 2.209 274 HD1 PHE 34 1HD PHE 34 19.042 -3.439 4.130 275 HD2 PHE 34 2HD PHE 34 15.830 -0.663 4.422 276 HE1 PHE 34 1HE PHE 34 19.160 -3.566 6.585 277 HE2 PHE 34 2HE PHE 34 15.942 -0.785 6.877 278 HZ PHE 34 HZ PHE 34 17.610 -2.237 7.961 279 H LEU 35 H LEU 35 18.140 -0.646 -0.504 280 HA LEU 35 HA LEU 35 20.950 -1.113 -0.835 281 1HB LEU 35 2HB LEU 35 20.695 -3.210 -2.134 282 2HB LEU 35 1HB LEU 35 20.350 -3.392 -0.424 283 HG LEU 35 HG LEU 35 17.882 -2.819 -1.644 284 1HD1 LEU 35 1HD1 LEU 35 18.661 -5.239 -3.038 285 2HD1 LEU 35 2HD1 LEU 35 19.539 -3.821 -3.613 286 3HD1 LEU 35 3HD1 LEU 35 17.775 -3.831 -3.623 287 1HD2 LEU 35 1HD2 LEU 35 18.295 -5.625 -1.151 288 2HD2 LEU 35 2HD2 LEU 35 17.304 -4.463 -0.268 289 3HD2 LEU 35 3HD2 LEU 35 19.012 -4.650 0.132 290 H LYS 36 H LYS 36 20.886 0.764 -2.062 291 HA LYS 36 HA LYS 36 19.547 0.490 -4.664 292 1HB LYS 36 2HB LYS 36 19.951 3.237 -4.161 293 2HB LYS 36 1HB LYS 36 18.428 2.371 -4.287 294 1HG LYS 36 2HG LYS 36 18.268 2.072 -1.974 295 2HG LYS 36 1HG LYS 36 19.972 2.453 -1.719 296 1HD LYS 36 2HD LYS 36 18.719 4.664 -3.010 297 2HD LYS 36 1HD LYS 36 17.746 4.197 -1.614 298 1HE LYS 36 2HE LYS 36 20.208 4.078 -0.534 299 2HE LYS 36 1HE LYS 36 20.466 5.335 -1.743 300 1HZ LYS 36 1HZ LYS 36 18.033 5.747 -0.332 301 2HZ LYS 36 2HZ LYS 36 19.356 6.786 -0.510 302 3HZ LYS 36 3HZ LYS 36 19.338 5.648 0.740 303 HA PRO 37 HA PRO 37 23.580 2.681 -5.711 304 1HB PRO 37 2HB PRO 37 24.975 4.076 -3.939 305 2HB PRO 37 1HB PRO 37 23.443 4.700 -4.563 306 1HG PRO 37 2HG PRO 37 24.011 3.347 -1.953 307 2HG PRO 37 1HG PRO 37 23.013 4.777 -2.277 308 1HD PRO 37 2HD PRO 37 22.034 2.210 -1.975 309 2HD PRO 37 1HD PRO 37 21.198 3.519 -2.829 310 H LYS 38 H LYS 38 26.113 2.726 -5.069 311 HA LYS 38 HA LYS 38 26.697 0.152 -3.758 312 1HB LYS 38 2HB LYS 38 28.620 -0.030 -5.377 313 2HB LYS 38 1HB LYS 38 27.022 -0.196 -6.092 314 1HG LYS 38 2HG LYS 38 27.993 2.550 -6.088 315 2HG LYS 38 1HG LYS 38 29.025 1.440 -6.992 316 1HD LYS 38 2HD LYS 38 27.416 0.994 -8.550 317 2HD LYS 38 1HD LYS 38 26.092 1.251 -7.412 318 1HE LYS 38 2HE LYS 38 26.244 2.985 -9.188 319 2HE LYS 38 1HE LYS 38 26.349 3.628 -7.550 320 1HZ LYS 38 1HZ LYS 38 28.562 3.239 -9.484 321 2HZ LYS 38 2HZ LYS 38 28.820 3.578 -7.847 322 3HZ LYS 38 3HZ LYS 38 28.008 4.695 -8.824 323 H LYS 39 H LYS 39 26.932 3.313 -3.291 324 HA LYS 39 HA LYS 39 29.654 3.805 -2.783 325 1HB LYS 39 2HB LYS 39 27.218 5.046 -1.491 326 2HB LYS 39 1HB LYS 39 28.852 5.690 -1.411 327 1HG LYS 39 2HG LYS 39 28.869 6.119 -3.766 328 2HG LYS 39 1HG LYS 39 27.323 5.293 -3.972 329 1HD LYS 39 2HD LYS 39 27.816 7.848 -2.445 330 2HD LYS 39 1HD LYS 39 26.973 7.685 -3.987 331 1HE LYS 39 2HE LYS 39 25.521 5.980 -2.537 332 2HE LYS 39 1HE LYS 39 26.063 7.045 -1.241 333 1HZ LYS 39 1HZ LYS 39 24.152 8.081 -1.910 334 2HZ LYS 39 2HZ LYS 39 24.331 7.644 -3.534 335 3HZ LYS 39 3HZ LYS 39 25.277 8.886 -2.884 336 H ARG 40 H ARG 40 27.175 3.574 -0.243 337 HA ARG 40 HA ARG 40 27.156 2.487 1.764 338 1HB ARG 40 2HB ARG 40 28.085 0.563 0.401 339 2HB ARG 40 1HB ARG 40 29.687 1.085 0.904 340 1HG ARG 40 2HG ARG 40 29.446 0.271 2.988 341 2HG ARG 40 1HG ARG 40 27.734 0.692 3.072 342 1HD ARG 40 2HD ARG 40 28.498 -1.450 1.178 343 2HD ARG 40 1HD ARG 40 28.612 -1.830 2.895 344 HE ARG 40 HE ARG 40 26.148 -0.733 2.656 345 1HH1 ARG 40 1HH1 ARG 40 27.803 -3.320 1.013 346 2HH1 ARG 40 2HH1 ARG 40 26.353 -4.203 0.671 347 1HH2 ARG 40 1HH2 ARG 40 24.232 -1.887 2.208 348 2HH2 ARG 40 2HH2 ARG 40 24.324 -3.389 1.349 349 H LYS 41 H LYS 41 27.819 3.149 3.734 350 HA LYS 41 HA LYS 41 29.722 5.226 3.933 351 1HB LYS 41 2HB LYS 41 27.655 4.397 5.476 352 2HB LYS 41 1HB LYS 41 29.011 3.778 6.409 353 1HG LYS 41 2HG LYS 41 29.212 5.788 7.311 354 2HG LYS 41 1HG LYS 41 29.726 6.386 5.732 355 1HD LYS 41 2HD LYS 41 27.358 6.805 5.161 356 2HD LYS 41 1HD LYS 41 26.899 6.284 6.784 357 1HE LYS 41 2HE LYS 41 27.109 8.431 7.365 358 2HE LYS 41 1HE LYS 41 28.849 8.161 7.266 359 1HZ LYS 41 1HZ LYS 41 28.979 9.166 5.219 360 2HZ LYS 41 2HZ LYS 41 27.774 10.096 5.956 361 3HZ LYS 41 3HZ LYS 41 27.351 8.895 4.843 362 H ALA 42 H ALA 42 30.035 1.826 4.009 363 HA ALA 42 HA ALA 42 32.204 1.438 5.711 364 1HB ALA 42 1HB ALA 42 32.724 -0.528 4.207 365 2HB ALA 42 2HB ALA 42 31.372 0.000 3.205 366 3HB ALA 42 3HB ALA 42 31.095 -0.473 4.881 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 27.995 5.449 -4.949 2 2H ALA 1 2HT ALA 1 27.170 5.508 -6.452 3 3H ALA 1 3HT ALA 1 28.791 4.948 -6.382 4 HA ALA 1 HA ALA 1 26.493 3.663 -5.071 5 1HB ALA 1 1HB ALA 1 26.284 2.218 -6.848 6 2HB ALA 1 2HB ALA 1 27.923 2.518 -7.425 7 3HB ALA 1 3HB ALA 1 26.665 3.726 -7.678 8 H LYS 2 H LYS 2 27.864 3.559 -3.181 9 HA LYS 2 HA LYS 2 29.483 1.184 -3.170 10 1HB LYS 2 2HB LYS 2 30.719 3.903 -2.865 11 2HB LYS 2 1HB LYS 2 31.419 2.507 -2.058 12 1HG LYS 2 2HG LYS 2 32.568 2.150 -3.918 13 2HG LYS 2 1HG LYS 2 31.048 1.656 -4.665 14 1HD LYS 2 2HD LYS 2 30.676 3.829 -5.548 15 2HD LYS 2 1HD LYS 2 31.975 4.519 -4.573 16 1HE LYS 2 2HE LYS 2 32.880 4.325 -6.727 17 2HE LYS 2 1HE LYS 2 33.532 2.949 -5.839 18 1HZ LYS 2 1HZ LYS 2 31.318 2.935 -7.810 19 2HZ LYS 2 2HZ LYS 2 31.678 1.617 -6.814 20 3HZ LYS 2 3HZ LYS 2 32.818 2.162 -7.937 21 H ILE 3 H ILE 3 28.983 4.156 -1.261 22 HA ILE 3 HA ILE 3 28.842 2.593 1.171 23 HB ILE 3 HB ILE 3 28.694 5.563 0.695 24 1HG1 ILE 3 2HG1 ILE 3 30.809 3.670 1.693 25 2HG1 ILE 3 1HG1 ILE 3 30.918 4.852 0.393 26 1HG2 ILE 3 1HG2 ILE 3 27.719 4.088 2.909 27 2HG2 ILE 3 2HG2 ILE 3 27.835 5.837 2.721 28 3HG2 ILE 3 3HG2 ILE 3 29.177 4.935 3.423 29 1HD1 ILE 3 1HD1 ILE 3 30.455 6.512 2.423 30 2HD1 ILE 3 2HD1 ILE 3 32.073 5.980 1.966 31 3HD1 ILE 3 3HD1 ILE 3 31.233 5.197 3.305 32 HA PRO 4 HA PRO 4 24.413 4.542 1.357 33 1HB PRO 4 2HB PRO 4 23.434 5.593 -0.966 34 2HB PRO 4 1HB PRO 4 24.257 6.546 0.275 35 1HG PRO 4 2HG PRO 4 25.342 5.410 -2.273 36 2HG PRO 4 1HG PRO 4 25.605 7.013 -1.561 37 1HD PRO 4 2HD PRO 4 27.431 5.058 -1.353 38 2HD PRO 4 1HD PRO 4 27.159 6.223 -0.042 39 H ILE 5 H ILE 5 25.596 2.760 -1.379 40 HA ILE 5 HA ILE 5 23.342 1.740 -2.536 41 HB ILE 5 HB ILE 5 24.812 -0.518 -2.471 42 1HG1 ILE 5 2HG1 ILE 5 26.951 1.579 -2.437 43 2HG1 ILE 5 1HG1 ILE 5 26.419 0.849 -0.924 44 1HG2 ILE 5 1HG2 ILE 5 24.065 0.901 -4.411 45 2HG2 ILE 5 2HG2 ILE 5 25.621 0.093 -4.606 46 3HG2 ILE 5 3HG2 ILE 5 25.563 1.812 -4.213 47 1HD1 ILE 5 1HD1 ILE 5 27.368 -1.147 -1.398 48 2HD1 ILE 5 2HD1 ILE 5 28.423 -0.126 -2.375 49 3HD1 ILE 5 3HD1 ILE 5 27.089 -0.994 -3.133 50 H LYS 6 H LYS 6 25.077 -0.188 -0.117 51 HA LYS 6 HA LYS 6 23.050 -1.947 0.473 52 1HB LYS 6 2HB LYS 6 25.411 -2.138 1.237 53 2HB LYS 6 1HB LYS 6 25.089 -0.900 2.442 54 1HG LYS 6 2HG LYS 6 24.714 -2.674 3.766 55 2HG LYS 6 1HG LYS 6 23.116 -2.633 3.018 56 1HD LYS 6 2HD LYS 6 23.834 -4.276 1.366 57 2HD LYS 6 1HD LYS 6 25.451 -4.294 2.072 58 1HE LYS 6 2HE LYS 6 23.064 -4.900 3.769 59 2HE LYS 6 1HE LYS 6 23.734 -6.143 2.713 60 1HZ LYS 6 1HZ LYS 6 25.788 -6.062 3.837 61 2HZ LYS 6 2HZ LYS 6 24.608 -6.104 5.048 62 3HZ LYS 6 3HZ LYS 6 25.380 -4.647 4.671 63 H ALA 7 H ALA 7 23.351 1.358 1.409 64 HA ALA 7 HA ALA 7 21.577 1.252 3.649 65 1HB ALA 7 1HB ALA 7 22.121 3.729 2.050 66 2HB ALA 7 2HB ALA 7 23.348 3.036 3.111 67 3HB ALA 7 3HB ALA 7 21.804 3.569 3.778 68 H ILE 8 H ILE 8 21.243 2.140 0.244 69 HA ILE 8 HA ILE 8 18.526 2.912 0.381 70 HB ILE 8 HB ILE 8 20.003 3.537 -1.492 71 1HG1 ILE 8 2HG1 ILE 8 17.680 1.893 -2.506 72 2HG1 ILE 8 1HG1 ILE 8 17.478 3.440 -1.689 73 1HG2 ILE 8 1HG2 ILE 8 21.335 1.904 -2.245 74 2HG2 ILE 8 2HG2 ILE 8 19.962 1.461 -3.259 75 3HG2 ILE 8 3HG2 ILE 8 20.230 0.631 -1.726 76 1HD1 ILE 8 1HD1 ILE 8 17.839 4.521 -3.582 77 2HD1 ILE 8 2HD1 ILE 8 17.928 2.969 -4.415 78 3HD1 ILE 8 3HD1 ILE 8 19.396 3.718 -3.787 79 H LYS 9 H LYS 9 20.095 -0.153 0.267 80 HA LYS 9 HA LYS 9 17.864 -1.645 -0.725 81 1HB LYS 9 2HB LYS 9 20.334 -2.525 0.778 82 2HB LYS 9 1HB LYS 9 19.161 -3.621 0.061 83 1HG LYS 9 2HG LYS 9 21.148 -1.840 -1.269 84 2HG LYS 9 1HG LYS 9 20.810 -3.551 -1.541 85 1HD LYS 9 2HD LYS 9 18.638 -2.935 -2.533 86 2HD LYS 9 1HD LYS 9 19.041 -1.232 -2.313 87 1HE LYS 9 2HE LYS 9 19.641 -1.591 -4.515 88 2HE LYS 9 1HE LYS 9 21.171 -1.825 -3.670 89 1HZ LYS 9 1HZ LYS 9 19.351 -4.055 -4.387 90 2HZ LYS 9 2HZ LYS 9 20.944 -4.164 -3.831 91 3HZ LYS 9 3HZ LYS 9 20.629 -3.544 -5.373 92 H THR 10 H THR 10 19.263 -1.079 2.478 93 HA THR 10 HA THR 10 17.412 -2.641 3.914 94 HB THR 10 HB THR 10 19.275 -0.408 4.657 95 HG1 THR 10 1HG THR 10 20.378 -2.024 5.609 96 1HG2 THR 10 1HG2 THR 10 17.913 0.115 6.363 97 2HG2 THR 10 2HG2 THR 10 18.606 -1.342 7.075 98 3HG2 THR 10 3HG2 THR 10 17.034 -1.411 6.277 99 H VAL 11 H VAL 11 17.396 0.744 2.932 100 HA VAL 11 HA VAL 11 14.999 1.362 4.385 101 HB VAL 11 HB VAL 11 16.559 2.839 2.275 102 1HG1 VAL 11 1HG1 VAL 11 15.041 4.720 2.527 103 2HG1 VAL 11 2HG1 VAL 11 14.032 3.782 3.628 104 3HG1 VAL 11 3HG1 VAL 11 14.168 3.308 1.935 105 1HG2 VAL 11 1HG2 VAL 11 16.968 2.577 4.944 106 2HG2 VAL 11 2HG2 VAL 11 15.986 4.041 4.890 107 3HG2 VAL 11 3HG2 VAL 11 17.496 3.958 3.983 108 H GLY 12 H GLY 12 15.778 0.032 1.298 109 1HA GLY 12 2HA GLY 12 13.298 0.626 0.008 110 2HA GLY 12 1HA GLY 12 14.481 -0.568 -0.510 111 H LYS 13 H LYS 13 14.414 -1.864 2.170 112 HA LYS 13 HA LYS 13 12.151 -3.588 1.621 113 1HB LYS 13 2HB LYS 13 14.203 -3.822 3.827 114 2HB LYS 13 1HB LYS 13 13.098 -5.075 3.278 115 1HG LYS 13 2HG LYS 13 15.269 -3.856 1.588 116 2HG LYS 13 1HG LYS 13 15.416 -5.373 2.477 117 1HD LYS 13 2HD LYS 13 14.140 -6.511 1.000 118 2HD LYS 13 1HD LYS 13 13.059 -5.145 0.723 119 1HE LYS 13 2HE LYS 13 15.105 -4.113 -0.502 120 2HE LYS 13 1HE LYS 13 15.682 -5.778 -0.569 121 1HZ LYS 13 1HZ LYS 13 12.941 -5.206 -1.438 122 2HZ LYS 13 2HZ LYS 13 14.014 -6.397 -1.977 123 3HZ LYS 13 3HZ LYS 13 14.216 -4.792 -2.470 124 H ALA 14 H ALA 14 13.185 -1.297 4.085 125 HA ALA 14 HA ALA 14 10.986 -1.905 5.836 126 1HB ALA 14 1HB ALA 14 11.982 0.621 6.510 127 2HB ALA 14 2HB ALA 14 13.375 -0.305 5.951 128 3HB ALA 14 3HB ALA 14 12.377 -0.921 7.269 129 H VAL 15 H VAL 15 11.818 0.754 3.655 130 HA VAL 15 HA VAL 15 9.278 2.046 4.024 131 HB VAL 15 HB VAL 15 11.297 2.544 1.829 132 1HG1 VAL 15 1HG1 VAL 15 10.259 4.645 1.542 133 2HG1 VAL 15 2HG1 VAL 15 9.321 4.470 3.024 134 3HG1 VAL 15 3HG1 VAL 15 8.949 3.468 1.621 135 1HG2 VAL 15 1HG2 VAL 15 12.217 4.302 3.252 136 2HG2 VAL 15 2HG2 VAL 15 12.374 2.721 4.017 137 3HG2 VAL 15 3HG2 VAL 15 11.117 3.837 4.550 138 H GLY 16 H GLY 16 10.539 -0.464 2.063 139 1HA GLY 16 2HA GLY 16 8.616 -0.195 -0.068 140 2HA GLY 16 1HA GLY 16 9.726 -1.536 0.178 141 H LYS 17 H LYS 17 8.858 -1.952 2.954 142 HA LYS 17 HA LYS 17 6.662 -3.705 2.382 143 1HB LYS 17 2HB LYS 17 8.648 -3.465 4.399 144 2HB LYS 17 1HB LYS 17 7.082 -3.422 5.197 145 1HG LYS 17 2HG LYS 17 7.531 -5.669 5.186 146 2HG LYS 17 1HG LYS 17 6.575 -5.500 3.713 147 1HD LYS 17 2HD LYS 17 8.278 -6.162 2.431 148 2HD LYS 17 1HD LYS 17 9.396 -5.049 3.223 149 1HE LYS 17 2HE LYS 17 10.170 -7.313 3.528 150 2HE LYS 17 1HE LYS 17 9.635 -6.663 5.077 151 1HZ LYS 17 1HZ LYS 17 7.493 -7.826 4.702 152 2HZ LYS 17 2HZ LYS 17 8.812 -8.873 4.858 153 3HZ LYS 17 3HZ LYS 17 8.161 -8.557 3.330 154 H GLY 18 H GLY 18 7.082 -0.727 4.253 155 1HA GLY 18 2HA GLY 18 4.421 -0.623 5.226 156 2HA GLY 18 1HA GLY 18 5.530 0.738 5.117 157 H LEU 19 H LEU 19 5.954 0.507 2.283 158 HA LEU 19 HA LEU 19 3.873 2.148 1.353 159 1HB LEU 19 2HB LEU 19 5.749 2.531 0.128 160 2HB LEU 19 1HB LEU 19 6.264 0.858 0.195 161 HG LEU 19 HG LEU 19 4.747 0.259 -1.589 162 1HD1 LEU 19 1HD1 LEU 19 3.906 2.935 -2.330 163 2HD1 LEU 19 2HD1 LEU 19 3.275 2.443 -0.759 164 3HD1 LEU 19 3HD1 LEU 19 2.964 1.452 -2.185 165 1HD2 LEU 19 1HD2 LEU 19 6.562 0.839 -2.767 166 2HD2 LEU 19 2HD2 LEU 19 6.767 2.355 -1.888 167 3HD2 LEU 19 3HD2 LEU 19 5.622 2.259 -3.226 168 H ARG 20 H ARG 20 4.571 -1.289 0.811 169 HA ARG 20 HA ARG 20 2.445 -1.753 -0.964 170 1HB ARG 20 2HB ARG 20 4.468 -3.294 0.237 171 2HB ARG 20 1HB ARG 20 2.952 -4.058 0.698 172 1HG ARG 20 2HG ARG 20 4.139 -4.806 -1.468 173 2HG ARG 20 1HG ARG 20 2.390 -4.570 -1.483 174 1HD ARG 20 2HD ARG 20 2.510 -2.766 -2.843 175 2HD ARG 20 1HD ARG 20 4.023 -2.203 -2.138 176 HE ARG 20 HE ARG 20 3.752 -3.681 -4.508 177 1HH1 ARG 20 1HH1 ARG 20 5.709 -3.587 -1.628 178 2HH1 ARG 20 2HH1 ARG 20 7.109 -4.252 -2.402 179 1HH2 ARG 20 1HH2 ARG 20 5.584 -4.562 -5.535 180 2HH2 ARG 20 2HH2 ARG 20 7.037 -4.807 -4.625 181 H ALA 21 H ALA 21 2.656 -2.279 2.540 182 HA ALA 21 HA ALA 21 0.112 -3.204 3.013 183 1HB ALA 21 1HB ALA 21 1.352 -3.190 4.936 184 2HB ALA 21 2HB ALA 21 0.390 -1.736 5.206 185 3HB ALA 21 3HB ALA 21 2.044 -1.601 4.609 186 H ILE 22 H ILE 22 1.170 0.004 2.168 187 HA ILE 22 HA ILE 22 -1.355 1.251 2.777 188 HB ILE 22 HB ILE 22 1.080 2.229 1.290 189 1HG1 ILE 22 2HG1 ILE 22 1.620 2.275 3.545 190 2HG1 ILE 22 1HG1 ILE 22 0.931 3.880 3.324 191 1HG2 ILE 22 1HG2 ILE 22 -1.417 3.789 1.943 192 2HG2 ILE 22 2HG2 ILE 22 -0.959 3.227 0.336 193 3HG2 ILE 22 3HG2 ILE 22 0.041 4.414 1.173 194 1HD1 ILE 22 1HD1 ILE 22 -1.267 2.859 4.096 195 2HD1 ILE 22 2HD1 ILE 22 -0.003 3.080 5.307 196 3HD1 ILE 22 3HD1 ILE 22 -0.302 1.481 4.625 197 H ASN 23 H ASN 23 0.102 -0.385 0.079 198 HA ASN 23 HA ASN 23 -1.748 0.661 -1.855 199 1HB ASN 23 2HB ASN 23 -0.565 -0.517 -3.427 200 2HB ASN 23 1HB ASN 23 0.668 -0.313 -2.201 201 1HD2 ASN 23 1HD2 ASN 23 -1.613 -2.520 -3.646 202 2HD2 ASN 23 2HD2 ASN 23 -0.853 -3.974 -3.104 203 H ILE 24 H ILE 24 -1.216 -2.351 -0.205 204 HA ILE 24 HA ILE 24 -3.381 -3.769 -1.224 205 HB ILE 24 HB ILE 24 -1.385 -4.184 0.703 206 1HG1 ILE 24 2HG1 ILE 24 -1.910 -6.478 0.411 207 2HG1 ILE 24 1HG1 ILE 24 -3.592 -6.116 0.019 208 1HG2 ILE 24 1HG2 ILE 24 -2.539 -5.158 2.602 209 2HG2 ILE 24 2HG2 ILE 24 -4.089 -4.649 1.932 210 3HG2 ILE 24 3HG2 ILE 24 -2.910 -3.441 2.443 211 1HD1 ILE 24 1HD1 ILE 24 -1.915 -6.696 -1.871 212 2HD1 ILE 24 2HD1 ILE 24 -1.410 -5.017 -1.681 213 3HD1 ILE 24 3HD1 ILE 24 -3.081 -5.393 -2.101 214 H ALA 25 H ALA 25 -3.061 -1.363 1.248 215 HA ALA 25 HA ALA 25 -5.767 -1.637 2.167 216 1HB ALA 25 1HB ALA 25 -4.525 -0.902 3.930 217 2HB ALA 25 2HB ALA 25 -5.031 0.660 3.287 218 3HB ALA 25 3HB ALA 25 -3.429 0.027 2.907 219 H SER 26 H SER 26 -4.117 -0.065 -0.349 220 HA SER 26 HA SER 26 -6.062 2.077 -0.640 221 1HB SER 26 2HB SER 26 -3.476 1.354 -1.903 222 2HB SER 26 1HB SER 26 -4.625 2.226 -2.916 223 HG SER 26 HG SER 26 -3.524 3.032 -0.435 224 H THR 27 H THR 27 -5.407 -1.081 -1.937 225 HA THR 27 HA THR 27 -7.186 -0.794 -4.184 226 HB THR 27 HB THR 27 -5.863 -3.226 -2.968 227 HG1 THR 27 1HG THR 27 -5.240 -2.163 -5.475 228 1HG2 THR 27 1HG2 THR 27 -6.671 -3.430 -5.747 229 2HG2 THR 27 2HG2 THR 27 -8.037 -3.302 -4.640 230 3HG2 THR 27 3HG2 THR 27 -6.845 -4.583 -4.423 231 H ALA 28 H ALA 28 -7.326 -2.088 -0.925 232 HA ALA 28 HA ALA 28 -9.863 -3.357 -1.211 233 1HB ALA 28 1HB ALA 28 -7.978 -2.807 0.976 234 2HB ALA 28 2HB ALA 28 -8.910 -4.261 0.616 235 3HB ALA 28 3HB ALA 28 -9.673 -2.908 1.454 236 H ASN 29 H ASN 29 -8.816 -0.116 -0.551 237 HA ASN 29 HA ASN 29 -11.171 0.851 0.673 238 1HB ASN 29 2HB ASN 29 -8.673 1.932 -0.253 239 2HB ASN 29 1HB ASN 29 -9.996 2.965 -0.787 240 1HD2 ASN 29 1HD2 ASN 29 -8.861 1.238 2.094 241 2HD2 ASN 29 2HD2 ASN 29 -9.308 2.471 3.219 242 H ASP 30 H ASP 30 -10.024 1.208 -2.675 243 HA ASP 30 HA ASP 30 -12.362 2.372 -3.686 244 1HB ASP 30 2HB ASP 30 -9.889 1.307 -4.753 245 2HB ASP 30 1HB ASP 30 -11.249 0.888 -5.790 246 H VAL 31 H VAL 31 -11.510 -0.938 -3.042 247 HA VAL 31 HA VAL 31 -13.624 -2.115 -4.565 248 HB VAL 31 HB VAL 31 -11.963 -3.256 -2.315 249 1HG1 VAL 31 1HG1 VAL 31 -14.128 -4.404 -2.568 250 2HG1 VAL 31 2HG1 VAL 31 -12.765 -5.433 -3.009 251 3HG1 VAL 31 3HG1 VAL 31 -13.756 -4.695 -4.267 252 1HG2 VAL 31 1HG2 VAL 31 -11.173 -2.572 -4.849 253 2HG2 VAL 31 2HG2 VAL 31 -11.583 -4.279 -5.021 254 3HG2 VAL 31 3HG2 VAL 31 -10.393 -3.774 -3.821 255 H PHE 32 H PHE 32 -13.111 -1.476 -1.116 256 HA PHE 32 HA PHE 32 -15.611 -2.456 -0.247 257 1HB PHE 32 2HB PHE 32 -13.941 -2.207 1.410 258 2HB PHE 32 1HB PHE 32 -13.622 -0.537 0.954 259 HD1 PHE 32 1HD PHE 32 -16.769 -2.364 1.772 260 HD2 PHE 32 2HD PHE 32 -14.126 0.834 2.722 261 HE1 PHE 32 1HE PHE 32 -18.329 -1.596 3.512 262 HE2 PHE 32 2HE PHE 32 -15.681 1.607 4.464 263 HZ PHE 32 HZ PHE 32 -17.786 0.392 4.862 264 H ASN 33 H ASN 33 -14.698 0.393 -1.878 265 HA ASN 33 HA ASN 33 -17.046 1.895 -1.052 266 1HB ASN 33 2HB ASN 33 -14.761 2.942 -1.459 267 2HB ASN 33 1HB ASN 33 -15.047 2.672 -3.175 268 1HD2 ASN 33 1HD2 ASN 33 -15.059 4.988 -0.998 269 2HD2 ASN 33 2HD2 ASN 33 -16.347 5.988 -1.570 270 H PHE 34 H PHE 34 -15.868 0.035 -3.769 271 HA PHE 34 HA PHE 34 -17.879 0.858 -5.613 272 1HB PHE 34 2HB PHE 34 -15.537 -0.608 -5.779 273 2HB PHE 34 1HB PHE 34 -16.786 -1.814 -6.068 274 HD1 PHE 34 1HD PHE 34 -15.582 1.511 -7.189 275 HD2 PHE 34 2HD PHE 34 -17.806 -1.986 -8.152 276 HE1 PHE 34 1HE PHE 34 -15.783 2.285 -9.516 277 HE2 PHE 34 2HE PHE 34 -18.010 -1.220 -10.481 278 HZ PHE 34 HZ PHE 34 -16.998 0.919 -11.166 279 H LEU 35 H LEU 35 -17.715 -1.481 -3.069 280 HA LEU 35 HA LEU 35 -19.964 -3.031 -3.963 281 1HB LEU 35 2HB LEU 35 -18.084 -3.069 -1.710 282 2HB LEU 35 1HB LEU 35 -19.705 -3.593 -1.298 283 HG LEU 35 HG LEU 35 -18.133 -5.434 -1.935 284 1HD1 LEU 35 1HD1 LEU 35 -19.816 -6.333 -3.757 285 2HD1 LEU 35 2HD1 LEU 35 -20.755 -4.933 -3.240 286 3HD1 LEU 35 3HD1 LEU 35 -20.290 -6.165 -2.067 287 1HD2 LEU 35 1HD2 LEU 35 -17.681 -5.752 -4.334 288 2HD2 LEU 35 2HD2 LEU 35 -16.900 -4.309 -3.687 289 3HD2 LEU 35 3HD2 LEU 35 -18.366 -4.159 -4.657 290 H LYS 36 H LYS 36 -19.715 -1.638 -0.746 291 HA LYS 36 HA LYS 36 -21.617 -1.066 0.545 292 1HB LYS 36 2HB LYS 36 -21.920 1.494 -0.325 293 2HB LYS 36 1HB LYS 36 -20.632 0.943 0.737 294 1HG LYS 36 2HG LYS 36 -19.171 0.630 -1.197 295 2HG LYS 36 1HG LYS 36 -20.463 1.196 -2.258 296 1HD LYS 36 2HD LYS 36 -19.604 2.906 0.027 297 2HD LYS 36 1HD LYS 36 -18.600 2.840 -1.421 298 1HE LYS 36 2HE LYS 36 -21.513 3.256 -1.789 299 2HE LYS 36 1HE LYS 36 -20.577 4.599 -1.134 300 1HZ LYS 36 1HZ LYS 36 -20.797 4.556 -3.608 301 2HZ LYS 36 2HZ LYS 36 -19.834 3.165 -3.621 302 3HZ LYS 36 3HZ LYS 36 -19.203 4.624 -3.043 303 HA PRO 37 HA PRO 37 -24.838 -1.711 -2.831 304 1HB PRO 37 2HB PRO 37 -26.188 -3.594 -1.335 305 2HB PRO 37 1HB PRO 37 -24.964 -3.973 -2.551 306 1HG PRO 37 2HG PRO 37 -24.689 -3.788 0.421 307 2HG PRO 37 1HG PRO 37 -23.986 -4.970 -0.698 308 1HD PRO 37 2HD PRO 37 -22.529 -2.951 0.296 309 2HD PRO 37 1HD PRO 37 -22.307 -3.516 -1.374 310 H LYS 38 H LYS 38 -26.096 0.052 -2.678 311 HA LYS 38 HA LYS 38 -27.732 1.464 -1.966 312 1HB LYS 38 2HB LYS 38 -28.308 -0.948 -0.270 313 2HB LYS 38 1HB LYS 38 -29.221 0.538 -0.053 314 1HG LYS 38 2HG LYS 38 -30.593 -0.333 -1.584 315 2HG LYS 38 1HG LYS 38 -29.378 0.207 -2.745 316 1HD LYS 38 2HD LYS 38 -28.286 -2.114 -2.234 317 2HD LYS 38 1HD LYS 38 -29.909 -2.536 -1.685 318 1HE LYS 38 2HE LYS 38 -29.738 -1.170 -4.295 319 2HE LYS 38 1HE LYS 38 -29.068 -2.800 -4.233 320 1HZ LYS 38 1HZ LYS 38 -31.537 -2.502 -4.804 321 2HZ LYS 38 2HZ LYS 38 -31.753 -2.242 -3.147 322 3HZ LYS 38 3HZ LYS 38 -31.112 -3.707 -3.695 323 H LYS 39 H LYS 39 -25.146 1.837 -0.991 324 HA LYS 39 HA LYS 39 -23.906 2.725 0.726 325 1HB LYS 39 2HB LYS 39 -26.466 4.276 1.146 326 2HB LYS 39 1HB LYS 39 -24.844 4.788 1.591 327 1HG LYS 39 2HG LYS 39 -25.839 4.341 -1.215 328 2HG LYS 39 1HG LYS 39 -25.613 5.905 -0.430 329 1HD LYS 39 2HD LYS 39 -23.193 5.263 -0.117 330 2HD LYS 39 1HD LYS 39 -23.506 3.887 -1.177 331 1HE LYS 39 2HE LYS 39 -24.043 6.748 -1.949 332 2HE LYS 39 1HE LYS 39 -22.534 5.908 -2.306 333 1HZ LYS 39 1HZ LYS 39 -23.556 4.521 -3.806 334 2HZ LYS 39 2HZ LYS 39 -24.416 5.956 -4.056 335 3HZ LYS 39 3HZ LYS 39 -25.095 4.716 -3.129 336 H ARG 40 H ARG 40 -25.356 0.330 1.471 337 HA ARG 40 HA ARG 40 -25.620 -0.921 3.358 338 1HB ARG 40 2HB ARG 40 -24.195 1.434 4.307 339 2HB ARG 40 1HB ARG 40 -25.252 0.759 5.540 340 1HG ARG 40 2HG ARG 40 -23.980 -1.449 4.453 341 2HG ARG 40 1HG ARG 40 -22.724 -0.212 4.535 342 1HD ARG 40 2HD ARG 40 -22.501 -0.693 6.694 343 2HD ARG 40 1HD ARG 40 -24.106 -0.008 6.948 344 HE ARG 40 HE ARG 40 -24.932 -2.127 7.223 345 1HH1 ARG 40 1HH1 ARG 40 -21.755 -2.311 5.805 346 2HH1 ARG 40 2HH1 ARG 40 -21.643 -4.032 5.965 347 1HH2 ARG 40 1HH2 ARG 40 -24.794 -4.391 7.439 348 2HH2 ARG 40 2HH2 ARG 40 -23.372 -5.215 6.894 349 H LYS 41 H LYS 41 -26.743 2.382 4.124 350 HA LYS 41 HA LYS 41 -29.437 1.288 4.519 351 1HB LYS 41 2HB LYS 41 -29.651 2.894 6.488 352 2HB LYS 41 1HB LYS 41 -28.687 1.447 6.747 353 1HG LYS 41 2HG LYS 41 -27.072 2.766 7.491 354 2HG LYS 41 1HG LYS 41 -26.872 3.345 5.836 355 1HD LYS 41 2HD LYS 41 -29.100 4.651 7.119 356 2HD LYS 41 1HD LYS 41 -27.628 4.839 8.075 357 1HE LYS 41 2HE LYS 41 -26.555 6.031 6.438 358 2HE LYS 41 1HE LYS 41 -27.473 5.276 5.136 359 1HZ LYS 41 1HZ LYS 41 -29.440 6.559 6.146 360 2HZ LYS 41 2HZ LYS 41 -28.316 7.409 5.211 361 3HZ LYS 41 3HZ LYS 41 -28.255 7.505 6.899 362 H ALA 42 H ALA 42 -27.678 3.229 2.714 363 HA ALA 42 HA ALA 42 -29.811 5.246 2.456 364 1HB ALA 42 1HB ALA 42 -28.075 6.535 3.274 365 2HB ALA 42 2HB ALA 42 -27.874 6.708 1.531 366 3HB ALA 42 3HB ALA 42 -26.843 5.596 2.431 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 -30.543 -2.944 4.701 2 2H ALA 1 2HT ALA 1 -31.595 -4.150 5.322 3 3H ALA 1 3HT ALA 1 -32.156 -2.541 5.116 4 HA ALA 1 HA ALA 1 -31.449 -4.511 3.058 5 1HB ALA 1 1HB ALA 1 -33.847 -3.867 4.352 6 2HB ALA 1 2HB ALA 1 -33.635 -4.867 2.915 7 3HB ALA 1 3HB ALA 1 -33.954 -3.141 2.748 8 H LYS 2 H LYS 2 -29.673 -2.677 2.818 9 HA LYS 2 HA LYS 2 -30.726 -0.497 1.164 10 1HB LYS 2 2HB LYS 2 -28.579 -0.697 3.037 11 2HB LYS 2 1HB LYS 2 -27.906 -0.301 1.462 12 1HG LYS 2 2HG LYS 2 -28.327 1.750 2.533 13 2HG LYS 2 1HG LYS 2 -29.603 1.555 1.330 14 1HD LYS 2 2HD LYS 2 -31.020 2.000 3.003 15 2HD LYS 2 1HD LYS 2 -30.678 0.360 3.559 16 1HE LYS 2 2HE LYS 2 -29.601 1.103 5.364 17 2HE LYS 2 1HE LYS 2 -28.643 2.237 4.412 18 1HZ LYS 2 1HZ LYS 2 -31.110 3.367 4.449 19 2HZ LYS 2 2HZ LYS 2 -29.816 3.802 5.448 20 3HZ LYS 2 3HZ LYS 2 -30.982 2.710 6.004 21 H ILE 3 H ILE 3 -30.038 -0.144 -0.932 22 HA ILE 3 HA ILE 3 -29.103 -2.517 -2.319 23 HB ILE 3 HB ILE 3 -29.871 0.115 -3.563 24 1HG1 ILE 3 2HG1 ILE 3 -31.949 -1.842 -3.759 25 2HG1 ILE 3 1HG1 ILE 3 -31.527 -1.640 -2.062 26 1HG2 ILE 3 1HG2 ILE 3 -30.074 -2.656 -4.710 27 2HG2 ILE 3 2HG2 ILE 3 -28.641 -1.646 -4.893 28 3HG2 ILE 3 3HG2 ILE 3 -30.185 -1.113 -5.556 29 1HD1 ILE 3 1HD1 ILE 3 -32.863 0.201 -3.911 30 2HD1 ILE 3 2HD1 ILE 3 -31.664 0.937 -2.848 31 3HD1 ILE 3 3HD1 ILE 3 -33.014 0.031 -2.163 32 HA PRO 4 HA PRO 4 -25.655 0.605 -3.468 33 1HB PRO 4 2HB PRO 4 -25.454 2.915 -2.123 34 2HB PRO 4 1HB PRO 4 -26.575 2.723 -3.476 35 1HG PRO 4 2HG PRO 4 -27.120 2.697 -0.542 36 2HG PRO 4 1HG PRO 4 -28.087 3.384 -1.859 37 1HD PRO 4 2HD PRO 4 -28.555 0.935 -0.636 38 2HD PRO 4 1HD PRO 4 -29.166 1.414 -2.231 39 H ILE 5 H ILE 5 -26.434 -0.465 -0.382 40 HA ILE 5 HA ILE 5 -24.297 0.276 1.215 41 HB ILE 5 HB ILE 5 -26.296 -1.081 1.928 42 1HG1 ILE 5 2HG1 ILE 5 -24.001 -0.749 3.169 43 2HG1 ILE 5 1HG1 ILE 5 -25.199 -1.872 3.803 44 1HG2 ILE 5 1HG2 ILE 5 -25.971 -3.570 1.826 45 2HG2 ILE 5 2HG2 ILE 5 -24.687 -3.278 0.652 46 3HG2 ILE 5 3HG2 ILE 5 -26.343 -2.794 0.286 47 1HD1 ILE 5 1HD1 ILE 5 -22.758 -2.558 2.187 48 2HD1 ILE 5 2HD1 ILE 5 -23.997 -3.714 2.675 49 3HD1 ILE 5 3HD1 ILE 5 -23.033 -2.885 3.898 50 H LYS 6 H LYS 6 -24.475 -2.228 -1.249 51 HA LYS 6 HA LYS 6 -21.896 -3.322 -0.679 52 1HB LYS 6 2HB LYS 6 -22.182 -4.523 -2.819 53 2HB LYS 6 1HB LYS 6 -23.580 -4.692 -1.766 54 1HG LYS 6 2HG LYS 6 -24.283 -2.519 -3.234 55 2HG LYS 6 1HG LYS 6 -23.345 -3.449 -4.405 56 1HD LYS 6 2HD LYS 6 -25.320 -4.937 -2.773 57 2HD LYS 6 1HD LYS 6 -25.958 -3.842 -4.002 58 1HE LYS 6 2HE LYS 6 -23.743 -5.559 -4.888 59 2HE LYS 6 1HE LYS 6 -25.224 -6.416 -4.459 60 1HZ LYS 6 1HZ LYS 6 -25.847 -5.925 -6.530 61 2HZ LYS 6 2HZ LYS 6 -24.674 -4.721 -6.720 62 3HZ LYS 6 3HZ LYS 6 -26.137 -4.361 -5.952 63 H ALA 7 H ALA 7 -23.145 -0.808 -2.764 64 HA ALA 7 HA ALA 7 -20.784 -0.509 -4.337 65 1HB ALA 7 1HB ALA 7 -23.094 0.222 -5.007 66 2HB ALA 7 2HB ALA 7 -21.821 1.416 -5.263 67 3HB ALA 7 3HB ALA 7 -22.912 1.572 -3.886 68 H ILE 8 H ILE 8 -21.990 0.932 -1.368 69 HA ILE 8 HA ILE 8 -20.020 2.987 -1.209 70 HB ILE 8 HB ILE 8 -22.116 3.186 0.013 71 1HG1 ILE 8 2HG1 ILE 8 -19.635 3.009 1.729 72 2HG1 ILE 8 1HG1 ILE 8 -20.293 4.437 0.937 73 1HG2 ILE 8 1HG2 ILE 8 -22.461 1.780 2.060 74 2HG2 ILE 8 2HG2 ILE 8 -21.145 0.751 1.494 75 3HG2 ILE 8 3HG2 ILE 8 -22.613 0.916 0.530 76 1HD1 ILE 8 1HD1 ILE 8 -20.710 3.637 3.553 77 2HD1 ILE 8 2HD1 ILE 8 -22.219 3.251 2.726 78 3HD1 ILE 8 3HD1 ILE 8 -21.582 4.895 2.678 79 H LYS 9 H LYS 9 -20.240 -0.326 -0.089 80 HA LYS 9 HA LYS 9 -17.920 -0.218 1.575 81 1HB LYS 9 2HB LYS 9 -19.457 -2.541 0.402 82 2HB LYS 9 1HB LYS 9 -18.119 -2.720 1.529 83 1HG LYS 9 2HG LYS 9 -20.597 -1.139 2.152 84 2HG LYS 9 1HG LYS 9 -20.408 -2.851 2.538 85 1HD LYS 9 2HD LYS 9 -18.482 -2.350 3.927 86 2HD LYS 9 1HD LYS 9 -18.584 -0.644 3.489 87 1HE LYS 9 2HE LYS 9 -20.295 -0.249 4.903 88 2HE LYS 9 1HE LYS 9 -21.048 -1.813 4.594 89 1HZ LYS 9 1HZ LYS 9 -19.880 -2.807 6.249 90 2HZ LYS 9 2HZ LYS 9 -19.932 -1.243 6.891 91 3HZ LYS 9 3HZ LYS 9 -18.541 -1.783 6.097 92 H THR 10 H THR 10 -18.533 -0.848 -1.790 93 HA THR 10 HA THR 10 -16.023 -2.094 -2.342 94 HB THR 10 HB THR 10 -18.208 -0.921 -4.036 95 HG1 THR 10 1HG THR 10 -17.099 -3.506 -3.708 96 1HG2 THR 10 1HG2 THR 10 -15.457 -1.282 -4.859 97 2HG2 THR 10 2HG2 THR 10 -16.807 -0.525 -5.706 98 3HG2 THR 10 3HG2 THR 10 -16.578 -2.272 -5.794 99 H VAL 11 H VAL 11 -17.223 1.202 -2.360 100 HA VAL 11 HA VAL 11 -14.955 2.307 -3.695 101 HB VAL 11 HB VAL 11 -17.447 3.252 -3.110 102 1HG1 VAL 11 1HG1 VAL 11 -17.232 5.212 -1.687 103 2HG1 VAL 11 2HG1 VAL 11 -15.558 4.787 -1.331 104 3HG1 VAL 11 3HG1 VAL 11 -16.869 3.741 -0.784 105 1HG2 VAL 11 1HG2 VAL 11 -15.502 5.377 -3.624 106 2HG2 VAL 11 2HG2 VAL 11 -16.881 4.839 -4.582 107 3HG2 VAL 11 3HG2 VAL 11 -15.349 3.971 -4.677 108 H GLY 12 H GLY 12 -15.837 1.708 -0.360 109 1HA GLY 12 2HA GLY 12 -13.724 3.237 0.800 110 2HA GLY 12 1HA GLY 12 -14.694 2.021 1.616 111 H LYS 13 H LYS 13 -14.017 -0.116 -0.241 112 HA LYS 13 HA LYS 13 -11.534 -0.902 0.981 113 1HB LYS 13 2HB LYS 13 -11.878 -3.039 -0.123 114 2HB LYS 13 1HB LYS 13 -13.371 -2.511 0.641 115 1HG LYS 13 2HG LYS 13 -13.947 -1.563 -1.693 116 2HG LYS 13 1HG LYS 13 -12.682 -2.655 -2.261 117 1HD LYS 13 2HD LYS 13 -15.213 -3.365 -0.789 118 2HD LYS 13 1HD LYS 13 -14.756 -3.818 -2.432 119 1HE LYS 13 2HE LYS 13 -12.686 -4.709 -0.745 120 2HE LYS 13 1HE LYS 13 -14.199 -5.156 0.041 121 1HZ LYS 13 1HZ LYS 13 -13.766 -5.714 -2.824 122 2HZ LYS 13 2HZ LYS 13 -14.836 -6.461 -1.749 123 3HZ LYS 13 3HZ LYS 13 -13.176 -6.770 -1.641 124 H ALA 14 H ALA 14 -12.558 0.287 -2.138 125 HA ALA 14 HA ALA 14 -10.204 -0.453 -3.559 126 1HB ALA 14 1HB ALA 14 -12.684 0.743 -4.183 127 2HB ALA 14 2HB ALA 14 -11.435 0.181 -5.295 128 3HB ALA 14 3HB ALA 14 -11.422 1.849 -4.724 129 H VAL 15 H VAL 15 -11.287 2.560 -2.045 130 HA VAL 15 HA VAL 15 -8.900 3.992 -2.677 131 HB VAL 15 HB VAL 15 -10.958 4.617 -0.555 132 1HG1 VAL 15 1HG1 VAL 15 -8.510 5.927 -1.430 133 2HG1 VAL 15 2HG1 VAL 15 -9.479 6.189 0.019 134 3HG1 VAL 15 3HG1 VAL 15 -9.919 6.985 -1.493 135 1HG2 VAL 15 1HG2 VAL 15 -10.800 5.547 -3.421 136 2HG2 VAL 15 2HG2 VAL 15 -11.971 6.091 -2.220 137 3HG2 VAL 15 3HG2 VAL 15 -11.980 4.413 -2.764 138 H GLY 16 H GLY 16 -9.881 1.858 -0.146 139 1HA GLY 16 2HA GLY 16 -7.872 2.701 1.739 140 2HA GLY 16 1HA GLY 16 -8.903 1.284 1.874 141 H LYS 17 H LYS 17 -8.091 0.361 -0.840 142 HA LYS 17 HA LYS 17 -5.705 -1.041 0.015 143 1HB LYS 17 2HB LYS 17 -7.882 -1.589 -1.737 144 2HB LYS 17 1HB LYS 17 -6.399 -1.674 -2.679 145 1HG LYS 17 2HG LYS 17 -5.615 -3.487 -1.548 146 2HG LYS 17 1HG LYS 17 -6.452 -3.057 -0.055 147 1HD LYS 17 2HD LYS 17 -8.520 -3.864 -0.869 148 2HD LYS 17 1HD LYS 17 -7.912 -3.968 -2.523 149 1HE LYS 17 2HE LYS 17 -6.233 -5.666 -1.595 150 2HE LYS 17 1HE LYS 17 -7.274 -5.726 -0.174 151 1HZ LYS 17 1HZ LYS 17 -7.590 -7.313 -2.267 152 2HZ LYS 17 2HZ LYS 17 -8.587 -6.036 -2.752 153 3HZ LYS 17 3HZ LYS 17 -8.880 -6.826 -1.286 154 H GLY 18 H GLY 18 -6.651 1.312 -2.425 155 1HA GLY 18 2HA GLY 18 -4.220 1.322 -3.871 156 2HA GLY 18 1HA GLY 18 -5.406 2.619 -3.848 157 H LEU 19 H LEU 19 -5.351 3.224 -1.110 158 HA LEU 19 HA LEU 19 -2.979 4.834 -1.012 159 1HB LEU 19 2HB LEU 19 -4.855 5.908 -0.148 160 2HB LEU 19 1HB LEU 19 -5.390 4.487 0.726 161 HG LEU 19 HG LEU 19 -2.993 5.080 1.957 162 1HD1 LEU 19 1HD1 LEU 19 -4.426 7.667 1.378 163 2HD1 LEU 19 2HD1 LEU 19 -2.854 7.198 0.731 164 3HD1 LEU 19 3HD1 LEU 19 -3.054 7.450 2.464 165 1HD2 LEU 19 1HD2 LEU 19 -4.677 4.489 3.373 166 2HD2 LEU 19 2HD2 LEU 19 -5.872 5.493 2.552 167 3HD2 LEU 19 3HD2 LEU 19 -4.688 6.233 3.630 168 H ARG 20 H ARG 20 -4.237 2.061 0.785 169 HA ARG 20 HA ARG 20 -2.147 1.902 2.664 170 1HB ARG 20 2HB ARG 20 -4.268 0.735 2.985 171 2HB ARG 20 1HB ARG 20 -3.938 -0.281 1.588 172 1HG ARG 20 2HG ARG 20 -3.504 -1.193 3.972 173 2HG ARG 20 1HG ARG 20 -2.335 -1.513 2.689 174 1HD ARG 20 2HD ARG 20 -1.072 -0.850 4.567 175 2HD ARG 20 1HD ARG 20 -1.093 0.541 3.487 176 HE ARG 20 HE ARG 20 -3.063 1.253 5.002 177 1HH1 ARG 20 1HH1 ARG 20 -0.164 -0.392 6.061 178 2HH1 ARG 20 2HH1 ARG 20 -0.235 0.261 7.661 179 1HH2 ARG 20 1HH2 ARG 20 -3.142 2.111 7.106 180 2HH2 ARG 20 2HH2 ARG 20 -1.918 1.682 8.253 181 H ALA 21 H ALA 21 -2.644 0.253 -0.433 182 HA ALA 21 HA ALA 21 -0.283 -1.267 -0.376 183 1HB ALA 21 1HB ALA 21 -2.021 -1.865 -1.904 184 2HB ALA 21 2HB ALA 21 -0.601 -1.425 -2.853 185 3HB ALA 21 3HB ALA 21 -1.943 -0.291 -2.695 186 H ILE 22 H ILE 22 -0.950 2.011 -1.466 187 HA ILE 22 HA ILE 22 1.589 2.424 -2.688 188 HB ILE 22 HB ILE 22 -0.521 4.329 -1.682 189 1HG1 ILE 22 2HG1 ILE 22 0.516 3.803 -4.473 190 2HG1 ILE 22 1HG1 ILE 22 -0.901 3.016 -3.786 191 1HG2 ILE 22 1HG2 ILE 22 1.160 5.808 -1.424 192 2HG2 ILE 22 2HG2 ILE 22 1.067 5.915 -3.181 193 3HG2 ILE 22 3HG2 ILE 22 2.275 4.877 -2.423 194 1HD1 ILE 22 1HD1 ILE 22 -2.093 4.690 -4.606 195 2HD1 ILE 22 2HD1 ILE 22 -0.643 5.612 -5.003 196 3HD1 ILE 22 3HD1 ILE 22 -1.346 5.724 -3.389 197 H ASN 23 H ASN 23 0.454 2.281 0.521 198 HA ASN 23 HA ASN 23 2.509 3.892 1.693 199 1HB ASN 23 2HB ASN 23 1.115 3.792 3.436 200 2HB ASN 23 1HB ASN 23 0.088 2.704 2.532 201 1HD2 ASN 23 1HD2 ASN 23 2.350 3.043 5.087 202 2HD2 ASN 23 2HD2 ASN 23 2.279 1.417 5.664 203 H ILE 24 H ILE 24 1.773 0.456 1.964 204 HA ILE 24 HA ILE 24 4.220 -0.353 2.989 205 HB ILE 24 HB ILE 24 3.653 -2.599 1.873 206 1HG1 ILE 24 2HG1 ILE 24 1.099 -2.679 1.386 207 2HG1 ILE 24 1HG1 ILE 24 1.261 -0.957 1.084 208 1HG2 ILE 24 1HG2 ILE 24 2.270 -3.179 3.642 209 2HG2 ILE 24 2HG2 ILE 24 1.465 -1.609 3.652 210 3HG2 ILE 24 3HG2 ILE 24 3.120 -1.755 4.242 211 1HD1 ILE 24 1HD1 ILE 24 3.154 -1.656 -0.519 212 2HD1 ILE 24 2HD1 ILE 24 1.476 -1.882 -1.012 213 3HD1 ILE 24 3HD1 ILE 24 2.414 -3.252 -0.422 214 H ALA 25 H ALA 25 3.267 0.650 -0.138 215 HA ALA 25 HA ALA 25 5.596 -0.479 -1.422 216 1HB ALA 25 1HB ALA 25 3.415 -0.424 -2.596 217 2HB ALA 25 2HB ALA 25 4.701 0.398 -3.481 218 3HB ALA 25 3HB ALA 25 3.499 1.338 -2.596 219 H SER 26 H SER 26 4.535 2.466 0.028 220 HA SER 26 HA SER 26 6.587 4.088 -1.224 221 1HB SER 26 2HB SER 26 4.354 4.566 0.691 222 2HB SER 26 1HB SER 26 5.722 5.678 0.748 223 HG SER 26 HG SER 26 4.153 6.405 -0.720 224 H THR 27 H THR 27 6.051 2.382 1.780 225 HA THR 27 HA THR 27 8.335 3.483 3.116 226 HB THR 27 HB THR 27 6.842 0.942 3.786 227 HG1 THR 27 1HG THR 27 5.598 3.022 3.587 228 1HG2 THR 27 1HG2 THR 27 8.911 1.233 5.039 229 2HG2 THR 27 2HG2 THR 27 7.492 1.402 6.074 230 3HG2 THR 27 3HG2 THR 27 8.377 2.835 5.549 231 H ALA 28 H ALA 28 7.614 0.583 1.258 232 HA ALA 28 HA ALA 28 10.070 -0.745 1.771 233 1HB ALA 28 1HB ALA 28 8.572 -1.198 -0.766 234 2HB ALA 28 2HB ALA 28 7.803 -1.612 0.767 235 3HB ALA 28 3HB ALA 28 9.336 -2.361 0.318 236 H ASN 29 H ASN 29 9.155 1.824 -0.362 237 HA ASN 29 HA ASN 29 11.327 1.482 -2.195 238 1HB ASN 29 2HB ASN 29 10.259 3.037 -3.418 239 2HB ASN 29 1HB ASN 29 8.974 2.929 -2.224 240 1HD2 ASN 29 1HD2 ASN 29 8.304 4.817 -1.541 241 2HD2 ASN 29 2HD2 ASN 29 9.259 6.246 -1.374 242 H ASP 30 H ASP 30 10.646 3.972 0.255 243 HA ASP 30 HA ASP 30 13.179 5.169 0.188 244 1HB ASP 30 2HB ASP 30 11.012 6.021 1.288 245 2HB ASP 30 1HB ASP 30 11.477 5.035 2.671 246 H VAL 31 H VAL 31 11.912 2.458 2.018 247 HA VAL 31 HA VAL 31 14.203 2.128 3.689 248 HB VAL 31 HB VAL 31 12.005 0.182 2.970 249 1HG1 VAL 31 1HG1 VAL 31 13.190 -1.393 3.985 250 2HG1 VAL 31 2HG1 VAL 31 13.157 -0.436 5.466 251 3HG1 VAL 31 3HG1 VAL 31 14.484 -0.243 4.320 252 1HG2 VAL 31 1HG2 VAL 31 10.867 0.868 4.866 253 2HG2 VAL 31 2HG2 VAL 31 11.517 2.386 4.247 254 3HG2 VAL 31 3HG2 VAL 31 12.306 1.575 5.600 255 H PHE 32 H PHE 32 13.021 0.576 0.744 256 HA PHE 32 HA PHE 32 14.927 -1.392 0.413 257 1HB PHE 32 2HB PHE 32 13.098 -1.378 -1.090 258 2HB PHE 32 1HB PHE 32 13.422 0.277 -1.596 259 HD1 PHE 32 1HD PHE 32 14.949 0.753 -3.342 260 HD2 PHE 32 2HD PHE 32 14.582 -3.210 -1.834 261 HE1 PHE 32 1HE PHE 32 16.265 -0.088 -5.243 262 HE2 PHE 32 2HE PHE 32 15.898 -4.058 -3.731 263 HZ PHE 32 HZ PHE 32 16.742 -2.496 -5.438 264 H ASN 33 H ASN 33 15.186 2.048 -0.097 265 HA ASN 33 HA ASN 33 17.681 1.911 -1.513 266 1HB ASN 33 2HB ASN 33 15.755 3.847 -1.218 267 2HB ASN 33 1HB ASN 33 17.044 4.447 -0.180 268 1HD2 ASN 33 1HD2 ASN 33 15.856 5.003 -3.007 269 2HD2 ASN 33 2HD2 ASN 33 17.273 5.265 -3.960 270 H PHE 34 H PHE 34 16.657 2.581 1.796 271 HA PHE 34 HA PHE 34 19.354 3.032 2.714 272 1HB PHE 34 2HB PHE 34 16.641 3.169 3.867 273 2HB PHE 34 1HB PHE 34 17.902 2.674 4.991 274 HD1 PHE 34 1HD PHE 34 18.150 4.519 6.381 275 HD2 PHE 34 2HD PHE 34 18.140 5.066 2.161 276 HE1 PHE 34 1HE PHE 34 18.798 6.871 6.689 277 HE2 PHE 34 2HE PHE 34 18.791 7.420 2.461 278 HZ PHE 34 HZ PHE 34 19.120 8.326 4.728 279 H LEU 35 H LEU 35 17.920 0.335 1.701 280 HA LEU 35 HA LEU 35 19.558 -1.353 3.426 281 1HB LEU 35 2HB LEU 35 17.228 -1.298 4.352 282 2HB LEU 35 1HB LEU 35 16.667 -1.995 2.844 283 HG LEU 35 HG LEU 35 18.245 -3.941 3.322 284 1HD1 LEU 35 1HD1 LEU 35 18.897 -4.286 5.626 285 2HD1 LEU 35 2HD1 LEU 35 18.182 -2.741 6.086 286 3HD1 LEU 35 3HD1 LEU 35 19.590 -2.780 5.025 287 1HD2 LEU 35 1HD2 LEU 35 16.613 -4.746 5.224 288 2HD2 LEU 35 2HD2 LEU 35 16.045 -4.524 3.569 289 3HD2 LEU 35 3HD2 LEU 35 15.736 -3.281 4.782 290 H LYS 36 H LYS 36 20.635 -0.999 1.207 291 HA LYS 36 HA LYS 36 19.688 -3.074 -0.660 292 1HB LYS 36 2HB LYS 36 20.659 -1.828 -2.473 293 2HB LYS 36 1HB LYS 36 19.622 -0.747 -1.551 294 1HG LYS 36 2HG LYS 36 21.955 -0.278 -0.320 295 2HG LYS 36 1HG LYS 36 22.546 -0.713 -1.925 296 1HD LYS 36 2HD LYS 36 20.951 0.960 -2.877 297 2HD LYS 36 1HD LYS 36 20.585 1.467 -1.227 298 1HE LYS 36 2HE LYS 36 23.143 1.741 -2.764 299 2HE LYS 36 1HE LYS 36 22.209 2.986 -1.935 300 1HZ LYS 36 1HZ LYS 36 22.914 2.180 0.158 301 2HZ LYS 36 2HZ LYS 36 24.305 2.284 -0.799 302 3HZ LYS 36 3HZ LYS 36 23.587 0.779 -0.513 303 HA PRO 37 HA PRO 37 23.748 -4.342 1.526 304 1HB PRO 37 2HB PRO 37 22.303 -6.850 0.769 305 2HB PRO 37 1HB PRO 37 23.289 -6.512 2.196 306 1HG PRO 37 2HG PRO 37 20.611 -6.481 2.307 307 2HG PRO 37 1HG PRO 37 21.598 -5.362 3.262 308 1HD PRO 37 2HD PRO 37 19.904 -4.830 0.905 309 2HD PRO 37 1HD PRO 37 20.459 -3.722 2.174 310 H LYS 38 H LYS 38 22.078 -5.736 -1.283 311 HA LYS 38 HA LYS 38 24.076 -6.978 -2.610 312 1HB LYS 38 2HB LYS 38 22.076 -5.135 -3.924 313 2HB LYS 38 1HB LYS 38 22.933 -6.461 -4.697 314 1HG LYS 38 2HG LYS 38 21.797 -7.888 -2.822 315 2HG LYS 38 1HG LYS 38 20.667 -6.533 -2.771 316 1HD LYS 38 2HD LYS 38 21.186 -7.270 -5.494 317 2HD LYS 38 1HD LYS 38 20.693 -8.692 -4.571 318 1HE LYS 38 2HE LYS 38 19.167 -6.146 -4.268 319 2HE LYS 38 1HE LYS 38 18.904 -7.144 -5.698 320 1HZ LYS 38 1HZ LYS 38 18.151 -7.624 -2.942 321 2HZ LYS 38 2HZ LYS 38 18.765 -8.972 -3.760 322 3HZ LYS 38 3HZ LYS 38 17.418 -8.151 -4.373 323 H LYS 39 H LYS 39 23.510 -3.491 -2.559 324 HA LYS 39 HA LYS 39 26.103 -3.121 -3.905 325 1HB LYS 39 2HB LYS 39 24.331 -0.787 -3.742 326 2HB LYS 39 1HB LYS 39 25.242 -1.418 -5.108 327 1HG LYS 39 2HG LYS 39 23.449 -3.256 -5.193 328 2HG LYS 39 1HG LYS 39 22.506 -2.178 -4.161 329 1HD LYS 39 2HD LYS 39 21.841 -1.108 -5.992 330 2HD LYS 39 1HD LYS 39 23.506 -0.571 -6.225 331 1HE LYS 39 2HE LYS 39 23.854 -2.858 -7.358 332 2HE LYS 39 1HE LYS 39 22.093 -2.921 -7.440 333 1HZ LYS 39 1HZ LYS 39 23.945 -1.078 -8.796 334 2HZ LYS 39 2HZ LYS 39 22.353 -0.595 -8.495 335 3HZ LYS 39 3HZ LYS 39 22.655 -1.964 -9.440 336 H ARG 40 H ARG 40 24.350 -2.637 -1.017 337 HA ARG 40 HA ARG 40 25.804 -0.398 -0.016 338 1HB ARG 40 2HB ARG 40 23.725 -0.705 0.998 339 2HB ARG 40 1HB ARG 40 23.966 -2.436 1.191 340 1HG ARG 40 2HG ARG 40 24.879 -2.185 3.202 341 2HG ARG 40 1HG ARG 40 25.931 -0.879 2.653 342 1HD ARG 40 2HD ARG 40 23.008 -0.407 3.106 343 2HD ARG 40 1HD ARG 40 24.141 -0.382 4.456 344 HE ARG 40 HE ARG 40 23.746 1.670 2.556 345 1HH1 ARG 40 1HH1 ARG 40 26.263 0.060 4.347 346 2HH1 ARG 40 2HH1 ARG 40 27.325 1.428 4.337 347 1HH2 ARG 40 1HH2 ARG 40 25.136 3.477 2.535 348 2HH2 ARG 40 2HH2 ARG 40 26.685 3.371 3.304 349 H LYS 41 H LYS 41 27.947 -0.528 0.237 350 HA LYS 41 HA LYS 41 29.252 -2.991 0.966 351 1HB LYS 41 2HB LYS 41 30.429 -0.215 0.755 352 2HB LYS 41 1HB LYS 41 31.318 -1.731 0.784 353 1HG LYS 41 2HG LYS 41 30.380 -2.363 -1.352 354 2HG LYS 41 1HG LYS 41 29.387 -0.904 -1.373 355 1HD LYS 41 2HD LYS 41 31.205 -0.350 -2.726 356 2HD LYS 41 1HD LYS 41 31.618 0.363 -1.165 357 1HE LYS 41 2HE LYS 41 32.634 -2.204 -1.011 358 2HE LYS 41 1HE LYS 41 32.961 -1.724 -2.675 359 1HZ LYS 41 1HZ LYS 41 34.465 -1.072 -0.510 360 2HZ LYS 41 2HZ LYS 41 33.573 0.338 -0.782 361 3HZ LYS 41 3HZ LYS 41 34.528 -0.308 -2.019 362 H ALA 42 H ALA 42 28.886 -3.645 3.013 363 HA ALA 42 HA ALA 42 29.019 -1.700 5.190 364 1HB ALA 42 1HB ALA 42 27.984 -4.490 4.946 365 2HB ALA 42 2HB ALA 42 27.178 -3.041 5.544 366 3HB ALA 42 3HB ALA 42 28.396 -3.844 6.534 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 31.365 5.899 4.595 2 2H ALA 1 2HT ALA 1 32.736 4.868 4.536 3 3H ALA 1 3HT ALA 1 31.856 5.046 5.999 4 HA ALA 1 HA ALA 1 29.936 4.269 4.379 5 1HB ALA 1 1HB ALA 1 30.618 2.809 2.753 6 2HB ALA 1 2HB ALA 1 32.155 2.469 3.548 7 3HB ALA 1 3HB ALA 1 31.926 3.989 2.685 8 H LYS 2 H LYS 2 28.960 3.378 6.088 9 HA LYS 2 HA LYS 2 30.357 1.208 7.494 10 1HB LYS 2 2HB LYS 2 29.804 3.535 8.691 11 2HB LYS 2 1HB LYS 2 28.249 2.748 8.921 12 1HG LYS 2 2HG LYS 2 30.888 2.122 10.104 13 2HG LYS 2 1HG LYS 2 29.278 2.080 10.827 14 1HD LYS 2 2HD LYS 2 28.807 0.061 9.409 15 2HD LYS 2 1HD LYS 2 30.515 0.061 8.965 16 1HE LYS 2 2HE LYS 2 31.191 -0.363 11.191 17 2HE LYS 2 1HE LYS 2 29.587 0.000 11.826 18 1HZ LYS 2 1HZ LYS 2 30.526 -2.408 10.423 19 2HZ LYS 2 2HZ LYS 2 28.892 -1.985 10.336 20 3HZ LYS 2 3HZ LYS 2 29.608 -2.283 11.839 21 H ILE 3 H ILE 3 29.289 -0.095 5.804 22 HA ILE 3 HA ILE 3 27.697 -1.572 5.131 23 HB ILE 3 HB ILE 3 26.570 -1.041 7.879 24 1HG1 ILE 3 2HG1 ILE 3 28.423 -3.178 6.813 25 2HG1 ILE 3 1HG1 ILE 3 28.807 -1.942 8.007 26 1HG2 ILE 3 1HG2 ILE 3 24.799 -2.218 7.228 27 2HG2 ILE 3 2HG2 ILE 3 25.867 -3.609 7.040 28 3HG2 ILE 3 3HG2 ILE 3 25.535 -2.559 5.662 29 1HD1 ILE 3 1HD1 ILE 3 27.425 -4.510 8.317 30 2HD1 ILE 3 2HD1 ILE 3 26.730 -3.161 9.215 31 3HD1 ILE 3 3HD1 ILE 3 28.420 -3.604 9.457 32 HA PRO 4 HA PRO 4 24.820 2.133 4.434 33 1HB PRO 4 2HB PRO 4 25.633 2.754 1.925 34 2HB PRO 4 1HB PRO 4 26.388 3.437 3.370 35 1HG PRO 4 2HG PRO 4 27.295 1.147 1.664 36 2HG PRO 4 1HG PRO 4 28.246 2.485 2.337 37 1HD PRO 4 2HD PRO 4 28.202 0.028 3.465 38 2HD PRO 4 1HD PRO 4 28.375 1.512 4.423 39 H ILE 5 H ILE 5 25.626 -0.831 2.904 40 HA ILE 5 HA ILE 5 23.985 -1.013 0.728 41 HB ILE 5 HB ILE 5 24.144 -3.229 2.762 42 1HG1 ILE 5 2HG1 ILE 5 26.129 -3.411 0.676 43 2HG1 ILE 5 1HG1 ILE 5 26.325 -1.906 1.567 44 1HG2 ILE 5 1HG2 ILE 5 24.233 -3.580 -0.197 45 2HG2 ILE 5 2HG2 ILE 5 22.689 -3.253 0.589 46 3HG2 ILE 5 3HG2 ILE 5 23.629 -4.672 1.048 47 1HD1 ILE 5 1HD1 ILE 5 27.291 -4.385 2.286 48 2HD1 ILE 5 2HD1 ILE 5 25.888 -4.158 3.329 49 3HD1 ILE 5 3HD1 ILE 5 27.182 -2.960 3.320 50 H LYS 6 H LYS 6 23.057 -1.544 4.108 51 HA LYS 6 HA LYS 6 20.369 -2.168 3.672 52 1HB LYS 6 2HB LYS 6 21.181 -0.577 6.073 53 2HB LYS 6 1HB LYS 6 20.068 -1.933 5.960 54 1HG LYS 6 2HG LYS 6 22.389 -3.127 5.248 55 2HG LYS 6 1HG LYS 6 22.971 -1.900 6.377 56 1HD LYS 6 2HD LYS 6 21.744 -2.771 8.150 57 2HD LYS 6 1HD LYS 6 20.629 -3.628 7.084 58 1HE LYS 6 2HE LYS 6 23.103 -4.711 6.475 59 2HE LYS 6 1HE LYS 6 23.155 -4.497 8.224 60 1HZ LYS 6 1HZ LYS 6 20.950 -5.869 6.788 61 2HZ LYS 6 2HZ LYS 6 21.185 -5.794 8.462 62 3HZ LYS 6 3HZ LYS 6 22.261 -6.672 7.496 63 H ALA 7 H ALA 7 22.047 0.808 3.393 64 HA ALA 7 HA ALA 7 19.827 2.556 3.798 65 1HB ALA 7 1HB ALA 7 22.355 3.088 3.900 66 2HB ALA 7 2HB ALA 7 21.255 4.294 3.233 67 3HB ALA 7 3HB ALA 7 22.218 3.285 2.153 68 H ILE 8 H ILE 8 21.508 1.368 0.907 69 HA ILE 8 HA ILE 8 19.859 2.619 -0.987 70 HB ILE 8 HB ILE 8 22.056 1.587 -1.513 71 1HG1 ILE 8 2HG1 ILE 8 19.795 0.464 -3.179 72 2HG1 ILE 8 1HG1 ILE 8 20.363 2.129 -3.268 73 1HG2 ILE 8 1HG2 ILE 8 21.350 -1.049 -2.116 74 2HG2 ILE 8 2HG2 ILE 8 20.739 -0.755 -0.488 75 3HG2 ILE 8 3HG2 ILE 8 22.446 -0.496 -0.849 76 1HD1 ILE 8 1HD1 ILE 8 22.676 0.773 -3.633 77 2HD1 ILE 8 2HD1 ILE 8 21.632 1.350 -4.933 78 3HD1 ILE 8 3HD1 ILE 8 21.512 -0.321 -4.381 79 H LYS 9 H LYS 9 19.467 -0.304 0.868 80 HA LYS 9 HA LYS 9 17.390 -1.447 -0.702 81 1HB LYS 9 2HB LYS 9 17.714 -1.924 2.246 82 2HB LYS 9 1HB LYS 9 17.168 -3.042 1.004 83 1HG LYS 9 2HG LYS 9 19.671 -2.532 0.133 84 2HG LYS 9 1HG LYS 9 19.889 -2.363 1.876 85 1HD LYS 9 2HD LYS 9 20.310 -4.661 1.123 86 2HD LYS 9 1HD LYS 9 18.936 -4.575 2.228 87 1HE LYS 9 2HE LYS 9 18.099 -4.236 -0.515 88 2HE LYS 9 1HE LYS 9 18.995 -5.740 -0.305 89 1HZ LYS 9 1HZ LYS 9 16.513 -4.881 1.054 90 2HZ LYS 9 2HZ LYS 9 17.477 -6.125 1.672 91 3HZ LYS 9 3HZ LYS 9 16.782 -6.278 0.138 92 H THR 10 H THR 10 17.465 0.685 2.104 93 HA THR 10 HA THR 10 14.727 0.704 2.679 94 HB THR 10 HB THR 10 16.864 2.800 3.077 95 HG1 THR 10 1HG THR 10 15.666 0.840 4.718 96 1HG2 THR 10 1HG2 THR 10 14.694 3.116 4.892 97 2HG2 THR 10 2HG2 THR 10 14.094 3.241 3.238 98 3HG2 THR 10 3HG2 THR 10 15.403 4.291 3.783 99 H VAL 11 H VAL 11 16.645 2.606 0.416 100 HA VAL 11 HA VAL 11 14.560 4.356 -0.378 101 HB VAL 11 HB VAL 11 17.096 3.527 -1.787 102 1HG1 VAL 11 1HG1 VAL 11 16.475 5.826 -2.994 103 2HG1 VAL 11 2HG1 VAL 11 14.845 5.232 -2.675 104 3HG1 VAL 11 3HG1 VAL 11 15.971 4.255 -3.618 105 1HG2 VAL 11 1HG2 VAL 11 17.133 4.877 0.388 106 2HG2 VAL 11 2HG2 VAL 11 16.460 6.195 -0.572 107 3HG2 VAL 11 3HG2 VAL 11 18.033 5.515 -0.988 108 H GLY 12 H GLY 12 15.960 1.490 -1.945 109 1HA GLY 12 2HA GLY 12 14.128 1.347 -4.067 110 2HA GLY 12 1HA GLY 12 15.068 -0.004 -3.445 111 H LYS 13 H LYS 13 13.844 0.479 -0.733 112 HA LYS 13 HA LYS 13 11.541 -1.224 -1.144 113 1HB LYS 13 2HB LYS 13 13.091 -0.286 1.242 114 2HB LYS 13 1HB LYS 13 11.484 -0.964 1.463 115 1HG LYS 13 2HG LYS 13 13.763 -2.357 0.076 116 2HG LYS 13 1HG LYS 13 13.281 -2.620 1.753 117 1HD LYS 13 2HD LYS 13 10.914 -2.996 0.547 118 2HD LYS 13 1HD LYS 13 11.989 -3.499 -0.759 119 1HE LYS 13 2HE LYS 13 13.158 -4.890 1.103 120 2HE LYS 13 1HE LYS 13 11.638 -4.674 1.969 121 1HZ LYS 13 1HZ LYS 13 10.527 -5.581 -0.074 122 2HZ LYS 13 2HZ LYS 13 11.467 -6.691 0.790 123 3HZ LYS 13 3HZ LYS 13 12.063 -6.014 -0.640 124 H ALA 14 H ALA 14 12.231 2.105 -0.435 125 HA ALA 14 HA ALA 14 9.661 2.786 0.589 126 1HB ALA 14 1HB ALA 14 11.506 4.722 -0.769 127 2HB ALA 14 2HB ALA 14 11.856 4.086 0.838 128 3HB ALA 14 3HB ALA 14 10.380 5.011 0.558 129 H VAL 15 H VAL 15 11.206 3.316 -2.565 130 HA VAL 15 HA VAL 15 8.873 4.314 -3.828 131 HB VAL 15 HB VAL 15 11.094 2.943 -5.319 132 1HG1 VAL 15 1HG1 VAL 15 10.365 4.087 -7.121 133 2HG1 VAL 15 2HG1 VAL 15 9.973 5.528 -6.182 134 3HG1 VAL 15 3HG1 VAL 15 8.858 4.161 -6.207 135 1HG2 VAL 15 1HG2 VAL 15 11.682 5.699 -5.077 136 2HG2 VAL 15 2HG2 VAL 15 12.625 4.325 -4.499 137 3HG2 VAL 15 3HG2 VAL 15 11.418 5.070 -3.450 138 H GLY 16 H GLY 16 10.218 1.117 -3.369 139 1HA GLY 16 2HA GLY 16 8.491 -0.193 -5.239 140 2HA GLY 16 1HA GLY 16 9.473 -0.972 -4.006 141 H LYS 17 H LYS 17 8.261 0.705 -1.875 142 HA LYS 17 HA LYS 17 5.975 -0.991 -1.377 143 1HB LYS 17 2HB LYS 17 7.492 1.043 0.224 144 2HB LYS 17 1HB LYS 17 5.911 0.502 0.768 145 1HG LYS 17 2HG LYS 17 6.677 -1.768 0.919 146 2HG LYS 17 1HG LYS 17 8.230 -1.332 0.204 147 1HD LYS 17 2HD LYS 17 8.938 -1.124 2.321 148 2HD LYS 17 1HD LYS 17 8.050 0.401 2.319 149 1HE LYS 17 2HE LYS 17 6.030 -1.156 2.962 150 2HE LYS 17 1HE LYS 17 7.315 -2.231 3.509 151 1HZ LYS 17 1HZ LYS 17 7.786 -0.916 5.244 152 2HZ LYS 17 2HZ LYS 17 6.234 -0.289 5.001 153 3HZ LYS 17 3HZ LYS 17 7.580 0.518 4.370 154 H GLY 18 H GLY 18 6.624 2.378 -2.119 155 1HA GLY 18 2HA GLY 18 4.050 3.405 -1.614 156 2HA GLY 18 1HA GLY 18 5.241 4.117 -2.692 157 H LEU 19 H LEU 19 5.470 1.999 -4.540 158 HA LEU 19 HA LEU 19 3.173 2.522 -6.154 159 1HB LEU 19 2HB LEU 19 4.368 1.645 -7.880 160 2HB LEU 19 1HB LEU 19 5.690 2.002 -6.788 161 HG LEU 19 HG LEU 19 5.343 -0.472 -5.997 162 1HD1 LEU 19 1HD1 LEU 19 4.454 -0.839 -8.823 163 2HD1 LEU 19 2HD1 LEU 19 3.260 -0.558 -7.556 164 3HD1 LEU 19 3HD1 LEU 19 4.341 -1.948 -7.456 165 1HD2 LEU 19 1HD2 LEU 19 7.323 0.505 -7.150 166 2HD2 LEU 19 2HD2 LEU 19 6.567 0.098 -8.691 167 3HD2 LEU 19 3HD2 LEU 19 7.011 -1.182 -7.562 168 H ARG 20 H ARG 20 4.432 -0.326 -4.466 169 HA ARG 20 HA ARG 20 2.425 -2.100 -5.304 170 1HB ARG 20 2HB ARG 20 4.386 -3.035 -4.351 171 2HB ARG 20 1HB ARG 20 4.240 -2.074 -2.896 172 1HG ARG 20 2HG ARG 20 2.323 -4.257 -3.699 173 2HG ARG 20 1HG ARG 20 3.682 -4.475 -2.603 174 1HD ARG 20 2HD ARG 20 1.133 -2.965 -2.189 175 2HD ARG 20 1HD ARG 20 1.906 -4.157 -1.158 176 HE ARG 20 HE ARG 20 3.330 -1.650 -1.488 177 1HH1 ARG 20 1HH1 ARG 20 1.157 -3.562 0.445 178 2HH1 ARG 20 2HH1 ARG 20 1.430 -2.643 1.888 179 1HH2 ARG 20 1HH2 ARG 20 3.704 -0.443 0.401 180 2HH2 ARG 20 2HH2 ARG 20 2.881 -0.871 1.864 181 H ALA 21 H ALA 21 2.730 -0.139 -2.361 182 HA ALA 21 HA ALA 21 0.320 -0.854 -1.175 183 1HB ALA 21 1HB ALA 21 2.302 0.741 -0.400 184 2HB ALA 21 2HB ALA 21 0.688 0.853 0.301 185 3HB ALA 21 3HB ALA 21 1.182 1.982 -0.960 186 H ILE 22 H ILE 22 1.044 1.445 -3.706 187 HA ILE 22 HA ILE 22 -1.573 2.572 -3.821 188 HB ILE 22 HB ILE 22 0.824 2.648 -5.629 189 1HG1 ILE 22 2HG1 ILE 22 -0.799 4.919 -4.489 190 2HG1 ILE 22 1HG1 ILE 22 0.485 4.134 -3.574 191 1HG2 ILE 22 1HG2 ILE 22 -0.955 2.462 -7.208 192 2HG2 ILE 22 2HG2 ILE 22 -0.482 4.160 -7.138 193 3HG2 ILE 22 3HG2 ILE 22 -1.944 3.617 -6.315 194 1HD1 ILE 22 1HD1 ILE 22 2.104 5.150 -4.743 195 2HD1 ILE 22 2HD1 ILE 22 0.827 6.300 -5.140 196 3HD1 ILE 22 3HD1 ILE 22 1.235 5.010 -6.272 197 H ASN 23 H ASN 23 -0.281 -0.426 -4.674 198 HA ASN 23 HA ASN 23 -1.986 -0.905 -6.945 199 1HB ASN 23 2HB ASN 23 -0.773 -2.770 -7.259 200 2HB ASN 23 1HB ASN 23 0.333 -2.003 -6.143 201 1HD2 ASN 23 1HD2 ASN 23 1.096 -3.359 -4.718 202 2HD2 ASN 23 2HD2 ASN 23 0.255 -4.692 -4.010 203 H ILE 24 H ILE 24 -1.810 -2.366 -3.700 204 HA ILE 24 HA ILE 24 -4.335 -3.616 -3.906 205 HB ILE 24 HB ILE 24 -4.188 -4.098 -1.598 206 1HG1 ILE 24 2HG1 ILE 24 -3.316 -1.534 -1.241 207 2HG1 ILE 24 1HG1 ILE 24 -3.304 -2.773 0.005 208 1HG2 ILE 24 1HG2 ILE 24 -1.324 -4.010 -2.491 209 2HG2 ILE 24 2HG2 ILE 24 -2.506 -5.152 -3.130 210 3HG2 ILE 24 3HG2 ILE 24 -2.094 -5.177 -1.416 211 1HD1 ILE 24 1HD1 ILE 24 -1.000 -2.046 -1.784 212 2HD1 ILE 24 2HD1 ILE 24 -0.984 -3.288 -0.532 213 3HD1 ILE 24 3HD1 ILE 24 -1.193 -1.593 -0.090 214 H ALA 25 H ALA 25 -3.243 -0.457 -3.210 215 HA ALA 25 HA ALA 25 -5.695 0.462 -2.021 216 1HB ALA 25 1HB ALA 25 -4.599 2.725 -2.311 217 2HB ALA 25 2HB ALA 25 -3.196 1.865 -2.947 218 3HB ALA 25 3HB ALA 25 -3.729 1.579 -1.291 219 H SER 26 H SER 26 -4.213 0.216 -5.161 220 HA SER 26 HA SER 26 -5.983 2.049 -6.476 221 1HB SER 26 2HB SER 26 -3.879 0.117 -7.310 222 2HB SER 26 1HB SER 26 -5.093 0.547 -8.516 223 HG SER 26 HG SER 26 -3.106 1.908 -8.313 224 H THR 27 H THR 27 -5.775 -1.493 -6.266 225 HA THR 27 HA THR 27 -8.140 -1.982 -7.753 226 HB THR 27 HB THR 27 -7.047 -3.827 -5.637 227 HG1 THR 27 1HG THR 27 -5.953 -3.174 -8.148 228 1HG2 THR 27 1HG2 THR 27 -7.691 -5.586 -7.155 229 2HG2 THR 27 2HG2 THR 27 -8.230 -4.398 -8.342 230 3HG2 THR 27 3HG2 THR 27 -9.074 -4.550 -6.801 231 H ALA 28 H ALA 28 -7.463 -1.259 -4.421 232 HA ALA 28 HA ALA 28 -9.919 -2.094 -3.301 233 1HB ALA 28 1HB ALA 28 -8.468 -1.725 -1.605 234 2HB ALA 28 2HB ALA 28 -9.180 -0.113 -1.638 235 3HB ALA 28 3HB ALA 28 -7.644 -0.415 -2.450 236 H ASN 29 H ASN 29 -8.963 0.678 -5.143 237 HA ASN 29 HA ASN 29 -10.861 2.559 -4.391 238 1HB ASN 29 2HB ASN 29 -9.816 2.049 -7.184 239 2HB ASN 29 1HB ASN 29 -10.565 3.538 -6.616 240 1HD2 ASN 29 1HD2 ASN 29 -9.220 3.296 -3.994 241 2HD2 ASN 29 2HD2 ASN 29 -7.587 3.781 -4.273 242 H ASP 30 H ASP 30 -11.175 0.800 -7.446 243 HA ASP 30 HA ASP 30 -13.820 1.181 -7.908 244 1HB ASP 30 2HB ASP 30 -12.165 -0.049 -9.377 245 2HB ASP 30 1HB ASP 30 -12.481 -1.481 -8.402 246 H VAL 31 H VAL 31 -12.388 -1.135 -5.694 247 HA VAL 31 HA VAL 31 -14.731 -2.599 -5.115 248 HB VAL 31 HB VAL 31 -12.320 -2.132 -3.356 249 1HG1 VAL 31 1HG1 VAL 31 -13.048 -3.794 -1.952 250 2HG1 VAL 31 2HG1 VAL 31 -14.063 -4.543 -3.185 251 3HG1 VAL 31 3HG1 VAL 31 -14.581 -3.049 -2.404 252 1HG2 VAL 31 1HG2 VAL 31 -12.392 -4.736 -4.489 253 2HG2 VAL 31 2HG2 VAL 31 -11.190 -3.466 -4.727 254 3HG2 VAL 31 3HG2 VAL 31 -12.592 -3.564 -5.793 255 H PHE 32 H PHE 32 -13.188 0.143 -3.489 256 HA PHE 32 HA PHE 32 -15.051 0.394 -1.396 257 1HB PHE 32 2HB PHE 32 -12.950 1.493 -1.163 258 2HB PHE 32 1HB PHE 32 -13.160 2.367 -2.676 259 HD1 PHE 32 1HD PHE 32 -13.507 4.607 -2.407 260 HD2 PHE 32 2HD PHE 32 -15.132 1.926 0.470 261 HE1 PHE 32 1HE PHE 32 -14.459 6.512 -1.176 262 HE2 PHE 32 2HE PHE 32 -16.089 3.827 1.706 263 HZ PHE 32 HZ PHE 32 -15.752 6.124 0.883 264 H ASN 33 H ASN 33 -15.058 1.519 -4.698 265 HA ASN 33 HA ASN 33 -17.368 3.230 -4.285 266 1HB ASN 33 2HB ASN 33 -15.546 3.863 -5.867 267 2HB ASN 33 1HB ASN 33 -15.982 2.481 -6.869 268 1HD2 ASN 33 1HD2 ASN 33 -16.685 3.507 -8.649 269 2HD2 ASN 33 2HD2 ASN 33 -18.034 4.586 -8.689 270 H PHE 34 H PHE 34 -16.839 -0.031 -4.777 271 HA PHE 34 HA PHE 34 -19.176 -0.507 -6.425 272 1HB PHE 34 2HB PHE 34 -16.820 -1.959 -5.762 273 2HB PHE 34 1HB PHE 34 -18.202 -2.916 -5.242 274 HD1 PHE 34 1HD PHE 34 -18.169 -4.654 -6.805 275 HD2 PHE 34 2HD PHE 34 -18.056 -0.615 -8.137 276 HE1 PHE 34 1HE PHE 34 -18.516 -5.413 -9.120 277 HE2 PHE 34 2HE PHE 34 -18.403 -1.365 -10.455 278 HZ PHE 34 HZ PHE 34 -18.633 -3.767 -10.949 279 H LEU 35 H LEU 35 -18.242 -0.733 -3.049 280 HA LEU 35 HA LEU 35 -21.049 -1.317 -2.383 281 1HB LEU 35 2HB LEU 35 -20.258 -2.666 -0.472 282 2HB LEU 35 1HB LEU 35 -19.823 -3.352 -2.027 283 HG LEU 35 HG LEU 35 -17.723 -1.633 -1.009 284 1HD1 LEU 35 1HD1 LEU 35 -17.526 -3.949 0.631 285 2HD1 LEU 35 2HD1 LEU 35 -19.066 -3.154 0.959 286 3HD1 LEU 35 3HD1 LEU 35 -17.557 -2.253 1.110 287 1HD2 LEU 35 1HD2 LEU 35 -16.713 -3.027 -2.411 288 2HD2 LEU 35 2HD2 LEU 35 -18.096 -4.122 -2.416 289 3HD2 LEU 35 3HD2 LEU 35 -16.854 -4.274 -1.172 290 H LYS 36 H LYS 36 -21.148 1.031 -2.180 291 HA LYS 36 HA LYS 36 -20.105 1.936 0.421 292 1HB LYS 36 2HB LYS 36 -20.189 4.270 -0.651 293 2HB LYS 36 1HB LYS 36 -18.868 3.203 -1.110 294 1HG LYS 36 2HG LYS 36 -19.439 3.345 -3.240 295 2HG LYS 36 1HG LYS 36 -21.076 2.793 -2.877 296 1HD LYS 36 2HD LYS 36 -20.696 5.530 -2.046 297 2HD LYS 36 1HD LYS 36 -20.306 5.327 -3.755 298 1HE LYS 36 2HE LYS 36 -22.854 4.378 -2.453 299 2HE LYS 36 1HE LYS 36 -22.687 5.897 -3.333 300 1HZ LYS 36 1HZ LYS 36 -21.975 4.535 -5.280 301 2HZ LYS 36 2HZ LYS 36 -23.585 4.305 -4.817 302 3HZ LYS 36 3HZ LYS 36 -22.418 3.149 -4.415 303 HA PRO 37 HA PRO 37 -24.800 2.403 -0.035 304 1HB PRO 37 2HB PRO 37 -25.593 0.409 1.610 305 2HB PRO 37 1HB PRO 37 -25.305 0.161 -0.116 306 1HG PRO 37 2HG PRO 37 -23.542 -0.480 2.213 307 2HG PRO 37 1HG PRO 37 -23.854 -1.428 0.748 308 1HD PRO 37 2HD PRO 37 -21.616 0.098 1.108 309 2HD PRO 37 1HD PRO 37 -22.312 -0.259 -0.485 310 H LYS 38 H LYS 38 -22.791 1.597 2.756 311 HA LYS 38 HA LYS 38 -22.463 2.803 4.690 312 1HB LYS 38 2HB LYS 38 -24.902 4.440 4.010 313 2HB LYS 38 1HB LYS 38 -23.623 4.838 5.148 314 1HG LYS 38 2HG LYS 38 -22.434 5.826 3.565 315 2HG LYS 38 1HG LYS 38 -22.525 4.400 2.529 316 1HD LYS 38 2HD LYS 38 -24.353 5.175 1.389 317 2HD LYS 38 1HD LYS 38 -24.928 6.138 2.752 318 1HE LYS 38 2HE LYS 38 -22.579 6.770 0.969 319 2HE LYS 38 1HE LYS 38 -24.143 7.583 0.966 320 1HZ LYS 38 1HZ LYS 38 -21.907 8.196 2.502 321 2HZ LYS 38 2HZ LYS 38 -23.082 7.617 3.573 322 3HZ LYS 38 3HZ LYS 38 -23.433 8.925 2.559 323 H LYS 39 H LYS 39 -25.797 2.033 3.823 324 HA LYS 39 HA LYS 39 -27.220 1.874 6.032 325 1HB LYS 39 2HB LYS 39 -26.914 -0.564 4.279 326 2HB LYS 39 1HB LYS 39 -28.330 -0.098 5.213 327 1HG LYS 39 2HG LYS 39 -27.881 2.092 3.603 328 2HG LYS 39 1HG LYS 39 -27.497 0.723 2.558 329 1HD LYS 39 2HD LYS 39 -29.876 1.409 2.444 330 2HD LYS 39 1HD LYS 39 -29.657 -0.260 2.971 331 1HE LYS 39 2HE LYS 39 -30.849 0.181 4.790 332 2HE LYS 39 1HE LYS 39 -29.626 1.349 5.289 333 1HZ LYS 39 1HZ LYS 39 -31.202 2.877 5.062 334 2HZ LYS 39 2HZ LYS 39 -32.257 1.805 4.288 335 3HZ LYS 39 3HZ LYS 39 -31.103 2.652 3.387 336 H ARG 40 H ARG 40 -24.927 -0.746 5.244 337 HA ARG 40 HA ARG 40 -25.009 -1.592 8.048 338 1HB ARG 40 2HB ARG 40 -23.705 -3.009 5.723 339 2HB ARG 40 1HB ARG 40 -24.061 -3.673 7.312 340 1HG ARG 40 2HG ARG 40 -26.120 -4.241 6.709 341 2HG ARG 40 1HG ARG 40 -26.440 -2.647 6.024 342 1HD ARG 40 2HD ARG 40 -25.888 -3.291 3.925 343 2HD ARG 40 1HD ARG 40 -24.622 -4.385 4.481 344 HE ARG 40 HE ARG 40 -27.376 -5.035 3.968 345 1HH1 ARG 40 1HH1 ARG 40 -24.496 -5.932 5.708 346 2HH1 ARG 40 2HH1 ARG 40 -24.953 -7.595 5.868 347 1HH2 ARG 40 1HH2 ARG 40 -27.989 -7.225 4.169 348 2HH2 ARG 40 2HH2 ARG 40 -26.940 -8.331 4.993 349 H LYS 41 H LYS 41 -23.273 -1.510 9.377 350 HA LYS 41 HA LYS 41 -21.050 0.137 8.583 351 1HB LYS 41 2HB LYS 41 -21.728 0.539 10.781 352 2HB LYS 41 1HB LYS 41 -21.919 -1.171 11.139 353 1HG LYS 41 2HG LYS 41 -19.188 -0.673 10.496 354 2HG LYS 41 1HG LYS 41 -19.720 0.500 11.701 355 1HD LYS 41 2HD LYS 41 -20.183 -1.121 13.271 356 2HD LYS 41 1HD LYS 41 -20.438 -2.373 12.054 357 1HE LYS 41 2HE LYS 41 -17.724 -1.180 12.336 358 2HE LYS 41 1HE LYS 41 -18.270 -2.336 13.551 359 1HZ LYS 41 1HZ LYS 41 -17.164 -3.578 11.913 360 2HZ LYS 41 2HZ LYS 41 -17.941 -2.776 10.642 361 3HZ LYS 41 3HZ LYS 41 -18.811 -3.841 11.626 362 H ALA 42 H ALA 42 -20.251 -1.282 6.898 363 HA ALA 42 HA ALA 42 -19.135 -3.838 7.620 364 1HB ALA 42 1HB ALA 42 -18.447 -2.447 5.074 365 2HB ALA 42 2HB ALA 42 -20.096 -3.020 5.327 366 3HB ALA 42 3HB ALA 42 -18.750 -4.157 5.378 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 -28.584 -7.529 -1.602 2 2H ALA 1 2HT ALA 1 -28.539 -8.069 -3.230 3 3H ALA 1 3HT ALA 1 -29.979 -7.391 -2.587 4 HA ALA 1 HA ALA 1 -27.956 -5.565 -2.189 5 1HB ALA 1 1HB ALA 1 -26.697 -6.737 -3.914 6 2HB ALA 1 2HB ALA 1 -27.227 -5.155 -4.489 7 3HB ALA 1 3HB ALA 1 -28.070 -6.613 -5.015 8 H LYS 2 H LYS 2 -28.550 -3.505 -3.302 9 HA LYS 2 HA LYS 2 -31.232 -3.417 -4.414 10 1HB LYS 2 2HB LYS 2 -31.557 -1.396 -2.673 11 2HB LYS 2 1HB LYS 2 -32.104 -3.035 -2.359 12 1HG LYS 2 2HG LYS 2 -29.408 -2.871 -1.520 13 2HG LYS 2 1HG LYS 2 -30.255 -1.457 -0.891 14 1HD LYS 2 2HD LYS 2 -32.080 -3.333 -0.336 15 2HD LYS 2 1HD LYS 2 -30.625 -4.330 -0.276 16 1HE LYS 2 2HE LYS 2 -29.679 -3.024 1.442 17 2HE LYS 2 1HE LYS 2 -30.840 -1.720 1.198 18 1HZ LYS 2 1HZ LYS 2 -32.493 -2.872 2.275 19 2HZ LYS 2 2HZ LYS 2 -31.137 -3.353 3.164 20 3HZ LYS 2 3HZ LYS 2 -31.792 -4.387 1.996 21 H ILE 3 H ILE 3 -29.326 -0.835 -2.883 22 HA ILE 3 HA ILE 3 -28.435 0.137 -5.459 23 HB ILE 3 HB ILE 3 -29.624 2.413 -4.240 24 1HG1 ILE 3 2HG1 ILE 3 -31.513 0.084 -4.646 25 2HG1 ILE 3 1HG1 ILE 3 -31.241 0.979 -3.156 26 1HG2 ILE 3 1HG2 ILE 3 -30.269 0.941 -6.788 27 2HG2 ILE 3 2HG2 ILE 3 -29.041 2.191 -6.588 28 3HG2 ILE 3 3HG2 ILE 3 -30.749 2.594 -6.405 29 1HD1 ILE 3 1HD1 ILE 3 -32.915 1.633 -5.474 30 2HD1 ILE 3 2HD1 ILE 3 -32.018 2.980 -4.772 31 3HD1 ILE 3 3HD1 ILE 3 -33.118 2.035 -3.768 32 HA PRO 4 HA PRO 4 -26.515 3.057 -2.142 33 1HB PRO 4 2HB PRO 4 -27.345 2.755 0.443 34 2HB PRO 4 1HB PRO 4 -28.070 3.895 -0.695 35 1HG PRO 4 2HG PRO 4 -29.008 1.173 0.116 36 2HG PRO 4 1HG PRO 4 -29.949 2.657 -0.124 37 1HD PRO 4 2HD PRO 4 -29.855 0.702 -1.975 38 2HD PRO 4 1HD PRO 4 -29.978 2.416 -2.420 39 H ILE 5 H ILE 5 -27.159 -0.283 -1.509 40 HA ILE 5 HA ILE 5 -25.318 -0.889 0.461 41 HB ILE 5 HB ILE 5 -25.287 -3.147 -0.417 42 1HG1 ILE 5 2HG1 ILE 5 -26.831 -3.417 -2.558 43 2HG1 ILE 5 1HG1 ILE 5 -26.261 -1.785 -2.887 44 1HG2 ILE 5 1HG2 ILE 5 -27.252 -2.333 0.824 45 2HG2 ILE 5 2HG2 ILE 5 -27.651 -3.613 -0.322 46 3HG2 ILE 5 3HG2 ILE 5 -28.024 -1.933 -0.709 47 1HD1 ILE 5 1HD1 ILE 5 -24.064 -3.485 -2.163 48 2HD1 ILE 5 2HD1 ILE 5 -24.330 -2.557 -3.639 49 3HD1 ILE 5 3HD1 ILE 5 -24.987 -4.187 -3.491 50 H LYS 6 H LYS 6 -24.825 -0.622 -3.031 51 HA LYS 6 HA LYS 6 -22.102 -1.397 -3.005 52 1HB LYS 6 2HB LYS 6 -22.024 -0.514 -5.270 53 2HB LYS 6 1HB LYS 6 -23.503 -1.435 -5.032 54 1HG LYS 6 2HG LYS 6 -24.842 0.406 -5.167 55 2HG LYS 6 1HG LYS 6 -23.587 1.498 -4.574 56 1HD LYS 6 2HD LYS 6 -22.395 1.254 -6.709 57 2HD LYS 6 1HD LYS 6 -23.688 0.209 -7.298 58 1HE LYS 6 2HE LYS 6 -24.141 3.030 -6.350 59 2HE LYS 6 1HE LYS 6 -23.806 2.619 -8.031 60 1HZ LYS 6 1HZ LYS 6 -26.237 2.358 -6.542 61 2HZ LYS 6 2HZ LYS 6 -25.816 0.926 -7.339 62 3HZ LYS 6 3HZ LYS 6 -25.994 2.361 -8.216 63 H ALA 7 H ALA 7 -23.697 1.440 -2.030 64 HA ALA 7 HA ALA 7 -21.536 3.271 -2.503 65 1HB ALA 7 1HB ALA 7 -23.137 4.765 -2.151 66 2HB ALA 7 2HB ALA 7 -23.285 4.235 -0.475 67 3HB ALA 7 3HB ALA 7 -24.251 3.464 -1.733 68 H ILE 8 H ILE 8 -22.853 1.603 0.334 69 HA ILE 8 HA ILE 8 -20.975 2.641 2.179 70 HB ILE 8 HB ILE 8 -23.065 1.668 2.949 71 1HG1 ILE 8 2HG1 ILE 8 -20.922 -0.173 3.974 72 2HG1 ILE 8 1HG1 ILE 8 -20.842 1.557 4.292 73 1HG2 ILE 8 1HG2 ILE 8 -22.987 -0.985 2.963 74 2HG2 ILE 8 2HG2 ILE 8 -22.055 -0.707 1.492 75 3HG2 ILE 8 3HG2 ILE 8 -23.694 -0.072 1.629 76 1HD1 ILE 8 1HD1 ILE 8 -21.850 0.361 6.146 77 2HD1 ILE 8 2HD1 ILE 8 -23.096 -0.275 5.072 78 3HD1 ILE 8 3HD1 ILE 8 -23.011 1.456 5.396 79 H LYS 9 H LYS 9 -20.972 -0.115 0.020 80 HA LYS 9 HA LYS 9 -18.714 -1.426 1.145 81 1HB LYS 9 2HB LYS 9 -20.411 -1.720 -1.231 82 2HB LYS 9 1HB LYS 9 -18.738 -2.195 -1.493 83 1HG LYS 9 2HG LYS 9 -19.851 -4.148 -0.837 84 2HG LYS 9 1HG LYS 9 -18.963 -3.616 0.591 85 1HD LYS 9 2HD LYS 9 -20.841 -3.361 1.770 86 2HD LYS 9 1HD LYS 9 -21.613 -2.449 0.471 87 1HE LYS 9 2HE LYS 9 -22.919 -4.200 0.073 88 2HE LYS 9 1HE LYS 9 -21.490 -5.119 -0.398 89 1HZ LYS 9 1HZ LYS 9 -21.338 -6.106 1.652 90 2HZ LYS 9 2HZ LYS 9 -23.017 -5.978 1.492 91 3HZ LYS 9 3HZ LYS 9 -22.173 -4.870 2.450 92 H THR 10 H THR 10 -19.157 0.960 -1.407 93 HA THR 10 HA THR 10 -16.533 0.963 -2.404 94 HB THR 10 HB THR 10 -18.683 3.077 -2.347 95 HG1 THR 10 1HG THR 10 -18.500 2.556 -4.681 96 1HG2 THR 10 1HG2 THR 10 -15.918 3.265 -3.459 97 2HG2 THR 10 2HG2 THR 10 -16.849 4.464 -2.561 98 3HG2 THR 10 3HG2 THR 10 -17.264 4.099 -4.235 99 H VAL 11 H VAL 11 -18.036 2.678 0.276 100 HA VAL 11 HA VAL 11 -15.793 4.335 0.851 101 HB VAL 11 HB VAL 11 -18.189 3.545 2.501 102 1HG1 VAL 11 1HG1 VAL 11 -17.060 5.808 3.652 103 2HG1 VAL 11 2HG1 VAL 11 -15.696 4.728 3.365 104 3HG1 VAL 11 3HG1 VAL 11 -17.071 4.176 4.321 105 1HG2 VAL 11 1HG2 VAL 11 -18.458 6.149 2.179 106 2HG2 VAL 11 2HG2 VAL 11 -18.984 5.012 0.938 107 3HG2 VAL 11 3HG2 VAL 11 -17.438 5.846 0.772 108 H GLY 12 H GLY 12 -16.924 1.207 2.024 109 1HA GLY 12 2HA GLY 12 -14.960 0.925 4.064 110 2HA GLY 12 1HA GLY 12 -15.918 -0.373 3.362 111 H LYS 13 H LYS 13 -15.020 0.299 0.642 112 HA LYS 13 HA LYS 13 -12.578 -1.250 0.677 113 1HB LYS 13 2HB LYS 13 -14.201 -0.130 -1.616 114 2HB LYS 13 1HB LYS 13 -12.801 -1.177 -1.800 115 1HG LYS 13 2HG LYS 13 -15.098 -2.082 -0.130 116 2HG LYS 13 1HG LYS 13 -15.207 -2.165 -1.889 117 1HD LYS 13 2HD LYS 13 -12.890 -3.318 -0.357 118 2HD LYS 13 1HD LYS 13 -14.354 -4.243 -0.694 119 1HE LYS 13 2HE LYS 13 -13.792 -3.267 -3.155 120 2HE LYS 13 1HE LYS 13 -12.168 -3.427 -2.488 121 1HZ LYS 13 1HZ LYS 13 -12.481 -5.718 -2.136 122 2HZ LYS 13 2HZ LYS 13 -13.070 -5.421 -3.694 123 3HZ LYS 13 3HZ LYS 13 -14.149 -5.628 -2.408 124 H ALA 14 H ALA 14 -13.573 2.051 0.239 125 HA ALA 14 HA ALA 14 -11.177 2.959 -1.017 126 1HB ALA 14 1HB ALA 14 -12.186 5.202 0.101 127 2HB ALA 14 2HB ALA 14 -13.626 4.183 0.066 128 3HB ALA 14 3HB ALA 14 -12.750 4.523 -1.426 129 H VAL 15 H VAL 15 -12.396 3.013 2.305 130 HA VAL 15 HA VAL 15 -10.108 4.285 3.411 131 HB VAL 15 HB VAL 15 -12.277 2.617 4.687 132 1HG1 VAL 15 1HG1 VAL 15 -9.928 4.025 5.920 133 2HG1 VAL 15 2HG1 VAL 15 -10.469 2.363 6.159 134 3HG1 VAL 15 3HG1 VAL 15 -11.405 3.700 6.828 135 1HG2 VAL 15 1HG2 VAL 15 -12.278 5.227 3.718 136 2HG2 VAL 15 2HG2 VAL 15 -12.112 5.393 5.466 137 3HG2 VAL 15 3HG2 VAL 15 -13.470 4.493 4.791 138 H GLY 16 H GLY 16 -11.041 0.957 2.823 139 1HA GLY 16 2HA GLY 16 -8.957 -0.242 4.349 140 2HA GLY 16 1HA GLY 16 -9.922 -1.032 3.111 141 H LYS 17 H LYS 17 -9.235 0.792 0.986 142 HA LYS 17 HA LYS 17 -6.800 -0.436 0.153 143 1HB LYS 17 2HB LYS 17 -7.228 0.442 -1.927 144 2HB LYS 17 1HB LYS 17 -8.848 0.449 -1.246 145 1HG LYS 17 2HG LYS 17 -8.319 2.859 -0.537 146 2HG LYS 17 1HG LYS 17 -6.983 2.748 -1.683 147 1HD LYS 17 2HD LYS 17 -8.594 2.132 -3.450 148 2HD LYS 17 1HD LYS 17 -9.910 2.342 -2.292 149 1HE LYS 17 2HE LYS 17 -9.921 4.393 -3.316 150 2HE LYS 17 1HE LYS 17 -8.827 4.709 -1.970 151 1HZ LYS 17 1HZ LYS 17 -7.223 5.201 -3.393 152 2HZ LYS 17 2HZ LYS 17 -8.311 5.018 -4.676 153 3HZ LYS 17 3HZ LYS 17 -7.373 3.705 -4.170 154 H GLY 18 H GLY 18 -7.641 2.586 1.646 155 1HA GLY 18 2HA GLY 18 -5.293 4.035 1.009 156 2HA GLY 18 1HA GLY 18 -6.363 4.357 2.367 157 H LEU 19 H LEU 19 -6.184 2.336 4.017 158 HA LEU 19 HA LEU 19 -3.743 2.633 5.310 159 1HB LEU 19 2HB LEU 19 -4.975 1.662 6.889 160 2HB LEU 19 1HB LEU 19 -6.158 1.157 5.700 161 HG LEU 19 HG LEU 19 -4.851 -0.904 5.300 162 1HD1 LEU 19 1HD1 LEU 19 -3.246 -1.057 7.572 163 2HD1 LEU 19 2HD1 LEU 19 -2.899 0.521 6.865 164 3HD1 LEU 19 3HD1 LEU 19 -2.714 -0.941 5.895 165 1HD2 LEU 19 1HD2 LEU 19 -5.285 -1.913 7.575 166 2HD2 LEU 19 2HD2 LEU 19 -6.654 -1.101 6.816 167 3HD2 LEU 19 3HD2 LEU 19 -5.755 -0.297 8.103 168 H ARG 20 H ARG 20 -4.807 0.232 2.968 169 HA ARG 20 HA ARG 20 -2.532 -1.438 3.186 170 1HB ARG 20 2HB ARG 20 -4.956 -1.526 1.810 171 2HB ARG 20 1HB ARG 20 -3.745 -1.442 0.540 172 1HG ARG 20 2HG ARG 20 -4.524 -3.748 1.410 173 2HG ARG 20 1HG ARG 20 -2.808 -3.471 1.111 174 1HD ARG 20 2HD ARG 20 -2.273 -3.670 3.283 175 2HD ARG 20 1HD ARG 20 -3.690 -2.768 3.815 176 HE ARG 20 HE ARG 20 -4.656 -5.195 2.978 177 1HH1 ARG 20 1HH1 ARG 20 -2.321 -4.101 5.316 178 2HH1 ARG 20 2HH1 ARG 20 -2.568 -5.441 6.385 179 1HH2 ARG 20 1HH2 ARG 20 -4.992 -6.967 4.380 180 2HH2 ARG 20 2HH2 ARG 20 -4.089 -7.068 5.855 181 H ALA 21 H ALA 21 -3.294 1.391 1.257 182 HA ALA 21 HA ALA 21 -1.058 1.225 -0.470 183 1HB ALA 21 1HB ALA 21 -2.101 2.946 -1.423 184 2HB ALA 21 2HB ALA 21 -1.750 3.954 -0.019 185 3HB ALA 21 3HB ALA 21 -3.233 3.001 -0.071 186 H ILE 22 H ILE 22 -1.418 2.016 2.825 187 HA ILE 22 HA ILE 22 0.968 3.618 3.036 188 HB ILE 22 HB ILE 22 -0.568 2.290 5.271 189 1HG1 ILE 22 2HG1 ILE 22 -1.888 3.862 3.718 190 2HG1 ILE 22 1HG1 ILE 22 -1.939 4.195 5.446 191 1HG2 ILE 22 1HG2 ILE 22 1.113 3.069 6.506 192 2HG2 ILE 22 2HG2 ILE 22 0.520 4.689 6.141 193 3HG2 ILE 22 3HG2 ILE 22 1.785 3.968 5.146 194 1HD1 ILE 22 1HD1 ILE 22 -0.329 5.628 3.352 195 2HD1 ILE 22 2HD1 ILE 22 -0.133 5.881 5.087 196 3HD1 ILE 22 3HD1 ILE 22 -1.669 6.260 4.308 197 H ASN 23 H ASN 23 0.012 0.260 3.594 198 HA ASN 23 HA ASN 23 2.567 -0.463 4.673 199 1HB ASN 23 2HB ASN 23 1.741 -2.627 4.855 200 2HB ASN 23 1HB ASN 23 0.306 -1.641 5.055 201 1HD2 ASN 23 1HD2 ASN 23 2.015 -3.862 3.038 202 2HD2 ASN 23 2HD2 ASN 23 0.727 -4.176 1.931 203 H ILE 24 H ILE 24 0.889 -0.865 1.664 204 HA ILE 24 HA ILE 24 2.842 -2.253 0.254 205 HB ILE 24 HB ILE 24 0.357 -1.064 -0.310 206 1HG1 ILE 24 2HG1 ILE 24 0.349 -2.520 -2.174 207 2HG1 ILE 24 1HG1 ILE 24 2.106 -2.473 -2.314 208 1HG2 ILE 24 1HG2 ILE 24 2.335 -0.127 -2.363 209 2HG2 ILE 24 2HG2 ILE 24 1.687 0.907 -1.090 210 3HG2 ILE 24 3HG2 ILE 24 0.604 0.200 -2.289 211 1HD1 ILE 24 1HD1 ILE 24 0.822 -4.502 -1.198 212 2HD1 ILE 24 2HD1 ILE 24 0.974 -3.473 0.226 213 3HD1 ILE 24 3HD1 ILE 24 2.416 -3.979 -0.654 214 H ALA 25 H ALA 25 2.438 1.077 1.122 215 HA ALA 25 HA ALA 25 4.576 2.056 -0.495 216 1HB ALA 25 1HB ALA 25 2.669 3.180 1.436 217 2HB ALA 25 2HB ALA 25 3.282 3.854 -0.074 218 3HB ALA 25 3HB ALA 25 4.243 3.973 1.400 219 H SER 26 H SER 26 4.229 0.511 2.531 220 HA SER 26 HA SER 26 6.720 1.426 3.656 221 1HB SER 26 2HB SER 26 4.418 0.043 4.598 222 2HB SER 26 1HB SER 26 5.817 -0.987 4.898 223 HG SER 26 HG SER 26 5.208 1.543 5.918 224 H THR 27 H THR 27 5.573 -1.293 1.786 225 HA THR 27 HA THR 27 7.907 -2.905 2.140 226 HB THR 27 HB THR 27 5.547 -2.992 0.279 227 HG1 THR 27 1HG THR 27 5.406 -5.088 1.377 228 1HG2 THR 27 1HG2 THR 27 7.558 -3.768 -0.978 229 2HG2 THR 27 2HG2 THR 27 6.306 -4.988 -0.749 230 3HG2 THR 27 3HG2 THR 27 7.762 -5.021 0.246 231 H ALA 28 H ALA 28 6.889 -0.443 -0.130 232 HA ALA 28 HA ALA 28 8.892 -0.939 -2.091 233 1HB ALA 28 1HB ALA 28 6.746 0.354 -2.426 234 2HB ALA 28 2HB ALA 28 8.201 1.085 -3.105 235 3HB ALA 28 3HB ALA 28 7.529 1.698 -1.594 236 H ASN 29 H ASN 29 8.741 1.041 0.814 237 HA ASN 29 HA ASN 29 11.096 2.526 0.331 238 1HB ASN 29 2HB ASN 29 10.878 3.348 2.494 239 2HB ASN 29 1HB ASN 29 9.222 2.895 2.109 240 1HD2 ASN 29 1HD2 ASN 29 8.347 2.255 3.938 241 2HD2 ASN 29 2HD2 ASN 29 9.012 1.092 5.029 242 H ASP 30 H ASP 30 10.481 -0.580 1.857 243 HA ASP 30 HA ASP 30 13.140 -0.981 2.791 244 1HB ASP 30 2HB ASP 30 11.153 -2.195 3.684 245 2HB ASP 30 1HB ASP 30 11.035 -3.063 2.156 246 H VAL 31 H VAL 31 11.491 -1.457 -0.212 247 HA VAL 31 HA VAL 31 13.413 -3.208 -1.402 248 HB VAL 31 HB VAL 31 11.187 -1.519 -2.530 249 1HG1 VAL 31 1HG1 VAL 31 11.649 -2.899 -4.652 250 2HG1 VAL 31 2HG1 VAL 31 13.263 -3.120 -3.977 251 3HG1 VAL 31 3HG1 VAL 31 12.666 -1.497 -4.323 252 1HG2 VAL 31 1HG2 VAL 31 11.520 -4.510 -2.466 253 2HG2 VAL 31 2HG2 VAL 31 10.074 -3.596 -2.898 254 3HG2 VAL 31 3HG2 VAL 31 10.660 -3.587 -1.234 255 H PHE 32 H PHE 32 12.620 0.217 -1.839 256 HA PHE 32 HA PHE 32 14.750 0.841 -3.553 257 1HB PHE 32 2HB PHE 32 13.013 2.413 -3.496 258 2HB PHE 32 1HB PHE 32 12.996 2.471 -1.737 259 HD1 PHE 32 1HD PHE 32 14.164 4.123 -0.598 260 HD2 PHE 32 2HD PHE 32 15.035 3.387 -4.698 261 HE1 PHE 32 1HE PHE 32 15.588 6.129 -0.651 262 HE2 PHE 32 2HE PHE 32 16.462 5.390 -4.759 263 HZ PHE 32 HZ PHE 32 16.740 6.764 -2.734 264 H ASN 33 H ASN 33 14.610 0.393 -0.126 265 HA ASN 33 HA ASN 33 17.069 1.786 0.430 266 1HB ASN 33 2HB ASN 33 14.930 0.800 1.969 267 2HB ASN 33 1HB ASN 33 16.345 -0.117 2.475 268 1HD2 ASN 33 1HD2 ASN 33 15.865 3.241 1.440 269 2HD2 ASN 33 2HD2 ASN 33 16.571 3.955 2.846 270 H PHE 34 H PHE 34 16.041 -1.590 0.167 271 HA PHE 34 HA PHE 34 18.434 -2.830 0.827 272 1HB PHE 34 2HB PHE 34 16.781 -4.395 0.597 273 2HB PHE 34 1HB PHE 34 16.037 -3.567 -0.764 274 HD1 PHE 34 1HD PHE 34 19.323 -5.210 -0.073 275 HD2 PHE 34 2HD PHE 34 15.991 -4.796 -2.686 276 HE1 PHE 34 1HE PHE 34 20.330 -6.847 -1.611 277 HE2 PHE 34 2HE PHE 34 16.990 -6.432 -4.228 278 HZ PHE 34 HZ PHE 34 19.162 -7.460 -3.691 279 H LEU 35 H LEU 35 17.481 -1.147 -2.055 280 HA LEU 35 HA LEU 35 19.903 -1.999 -3.465 281 1HB LEU 35 2HB LEU 35 17.562 -1.945 -4.518 282 2HB LEU 35 1HB LEU 35 17.753 -0.203 -4.553 283 HG LEU 35 HG LEU 35 19.717 -0.425 -5.989 284 1HD1 LEU 35 1HD1 LEU 35 19.438 -3.239 -5.238 285 2HD1 LEU 35 2HD1 LEU 35 20.858 -2.338 -5.770 286 3HD1 LEU 35 3HD1 LEU 35 19.721 -2.974 -6.959 287 1HD2 LEU 35 1HD2 LEU 35 17.454 -0.256 -6.967 288 2HD2 LEU 35 2HD2 LEU 35 17.383 -2.016 -7.044 289 3HD2 LEU 35 3HD2 LEU 35 18.583 -1.139 -7.995 290 H LYS 36 H LYS 36 18.906 0.450 -1.429 291 HA LYS 36 HA LYS 36 20.002 2.758 -2.558 292 1HB LYS 36 2HB LYS 36 18.689 3.175 -0.694 293 2HB LYS 36 1HB LYS 36 19.425 1.880 0.237 294 1HG LYS 36 2HG LYS 36 21.344 3.938 -0.434 295 2HG LYS 36 1HG LYS 36 19.959 4.582 0.451 296 1HD LYS 36 2HD LYS 36 20.322 2.588 2.041 297 2HD LYS 36 1HD LYS 36 21.913 2.465 1.288 298 1HE LYS 36 2HE LYS 36 21.296 5.191 2.027 299 2HE LYS 36 1HE LYS 36 21.187 4.107 3.413 300 1HZ LYS 36 1HZ LYS 36 23.456 3.262 2.390 301 2HZ LYS 36 2HZ LYS 36 23.390 4.556 3.476 302 3HZ LYS 36 3HZ LYS 36 23.511 4.853 1.816 303 HA PRO 37 HA PRO 37 24.132 1.662 -0.433 304 1HB PRO 37 2HB PRO 37 24.456 -0.743 0.681 305 2HB PRO 37 1HB PRO 37 23.629 0.566 1.534 306 1HG PRO 37 2HG PRO 37 22.464 -1.766 0.062 307 2HG PRO 37 1HG PRO 37 21.994 -1.086 1.631 308 1HD PRO 37 2HD PRO 37 20.699 -0.538 -0.722 309 2HD PRO 37 1HD PRO 37 20.726 0.561 0.671 310 H LYS 38 H LYS 38 24.723 1.687 -2.654 311 HA LYS 38 HA LYS 38 24.771 -0.672 -4.250 312 1HB LYS 38 2HB LYS 38 26.411 0.797 -5.635 313 2HB LYS 38 1HB LYS 38 24.720 1.265 -5.525 314 1HG LYS 38 2HG LYS 38 25.167 3.123 -4.319 315 2HG LYS 38 1HG LYS 38 26.531 2.383 -3.478 316 1HD LYS 38 2HD LYS 38 27.874 2.580 -5.536 317 2HD LYS 38 1HD LYS 38 26.512 3.376 -6.328 318 1HE LYS 38 2HE LYS 38 28.051 4.371 -3.933 319 2HE LYS 38 1HE LYS 38 28.080 5.041 -5.564 320 1HZ LYS 38 1HZ LYS 38 25.480 5.157 -5.038 321 2HZ LYS 38 2HZ LYS 38 26.550 6.420 -4.693 322 3HZ LYS 38 3HZ LYS 38 26.090 5.345 -3.470 323 H LYS 39 H LYS 39 26.737 0.464 -1.742 324 HA LYS 39 HA LYS 39 29.056 -1.084 -2.647 325 1HB LYS 39 2HB LYS 39 29.211 0.370 -0.084 326 2HB LYS 39 1HB LYS 39 30.371 0.280 -1.401 327 1HG LYS 39 2HG LYS 39 29.055 1.889 -2.679 328 2HG LYS 39 1HG LYS 39 27.886 1.978 -1.360 329 1HD LYS 39 2HD LYS 39 30.728 2.469 -0.683 330 2HD LYS 39 1HD LYS 39 29.899 3.711 -1.624 331 1HE LYS 39 2HE LYS 39 28.032 3.300 0.227 332 2HE LYS 39 1HE LYS 39 29.442 2.809 1.165 333 1HZ LYS 39 1HZ LYS 39 29.621 5.323 -0.311 334 2HZ LYS 39 2HZ LYS 39 30.268 4.905 1.195 335 3HZ LYS 39 3HZ LYS 39 28.630 5.302 1.060 336 H ARG 40 H ARG 40 26.319 -1.416 -0.753 337 HA ARG 40 HA ARG 40 25.593 -3.131 0.561 338 1HB ARG 40 2HB ARG 40 28.275 -4.454 0.518 339 2HB ARG 40 1HB ARG 40 26.674 -5.180 0.529 340 1HG ARG 40 2HG ARG 40 26.730 -5.400 -1.668 341 2HG ARG 40 1HG ARG 40 26.969 -3.662 -1.861 342 1HD ARG 40 2HD ARG 40 29.143 -3.908 -2.321 343 2HD ARG 40 1HD ARG 40 29.378 -5.043 -0.992 344 HE ARG 40 HE ARG 40 28.011 -6.358 -3.051 345 1HH1 ARG 40 1HH1 ARG 40 31.139 -4.969 -2.407 346 2HH1 ARG 40 2HH1 ARG 40 31.980 -6.050 -3.467 347 1HH2 ARG 40 1HH2 ARG 40 29.110 -7.789 -4.446 348 2HH2 ARG 40 2HH2 ARG 40 30.828 -7.656 -4.622 349 H LYS 41 H LYS 41 29.055 -2.855 1.393 350 HA LYS 41 HA LYS 41 29.018 -3.211 4.051 351 1HB LYS 41 2HB LYS 41 30.961 -1.834 4.245 352 2HB LYS 41 1HB LYS 41 31.010 -2.579 2.653 353 1HG LYS 41 2HG LYS 41 30.035 -0.467 1.730 354 2HG LYS 41 1HG LYS 41 30.254 0.253 3.326 355 1HD LYS 41 2HD LYS 41 32.674 -1.049 2.464 356 2HD LYS 41 1HD LYS 41 32.127 0.108 1.249 357 1HE LYS 41 2HE LYS 41 33.642 1.133 2.892 358 2HE LYS 41 1HE LYS 41 32.038 1.864 2.914 359 1HZ LYS 41 1HZ LYS 41 32.811 -0.288 4.794 360 2HZ LYS 41 2HZ LYS 41 31.504 0.780 4.905 361 3HZ LYS 41 3HZ LYS 41 33.081 1.347 5.139 362 H ALA 42 H ALA 42 28.332 -2.210 5.874 363 HA ALA 42 HA ALA 42 27.892 0.371 6.474 364 1HB ALA 42 1HB ALA 42 25.803 -0.570 4.612 365 2HB ALA 42 2HB ALA 42 26.434 1.053 4.886 366 3HB ALA 42 3HB ALA 42 25.252 0.367 6.000 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 34.834 -1.710 4.845 2 2H ALA 1 2HT ALA 1 35.384 -0.426 3.848 3 3H ALA 1 3HT ALA 1 34.546 -1.754 3.156 4 HA ALA 1 HA ALA 1 33.045 -0.581 5.218 5 1HB ALA 1 1HB ALA 1 33.469 1.267 2.904 6 2HB ALA 1 2HB ALA 1 34.499 1.366 4.333 7 3HB ALA 1 3HB ALA 1 32.757 1.597 4.484 8 H LYS 2 H LYS 2 30.884 -0.711 4.675 9 HA LYS 2 HA LYS 2 29.925 -1.025 2.030 10 1HB LYS 2 2HB LYS 2 29.371 -3.352 1.990 11 2HB LYS 2 1HB LYS 2 31.086 -3.224 2.357 12 1HG LYS 2 2HG LYS 2 28.842 -3.860 4.252 13 2HG LYS 2 1HG LYS 2 30.181 -4.900 3.766 14 1HD LYS 2 2HD LYS 2 31.721 -3.182 4.806 15 2HD LYS 2 1HD LYS 2 30.276 -2.439 5.497 16 1HE LYS 2 2HE LYS 2 30.481 -5.336 5.910 17 2HE LYS 2 1HE LYS 2 31.749 -4.393 6.692 18 1HZ LYS 2 1HZ LYS 2 29.073 -4.728 7.485 19 2HZ LYS 2 2HZ LYS 2 29.332 -3.090 7.154 20 3HZ LYS 2 3HZ LYS 2 30.311 -3.889 8.278 21 H ILE 3 H ILE 3 29.186 0.588 4.124 22 HA ILE 3 HA ILE 3 26.785 -0.577 5.294 23 HB ILE 3 HB ILE 3 28.443 0.824 6.620 24 1HG1 ILE 3 2HG1 ILE 3 25.733 2.040 6.870 25 2HG1 ILE 3 1HG1 ILE 3 25.872 0.293 7.043 26 1HG2 ILE 3 1HG2 ILE 3 28.875 2.657 5.222 27 2HG2 ILE 3 2HG2 ILE 3 27.884 3.303 6.530 28 3HG2 ILE 3 3HG2 ILE 3 27.159 2.969 4.957 29 1HD1 ILE 3 1HD1 ILE 3 27.125 0.452 8.967 30 2HD1 ILE 3 2HD1 ILE 3 26.012 1.810 9.132 31 3HD1 ILE 3 3HD1 ILE 3 27.671 2.089 8.601 32 HA PRO 4 HA PRO 4 25.035 3.055 2.649 33 1HB PRO 4 2HB PRO 4 26.331 3.664 0.366 34 2HB PRO 4 1HB PRO 4 26.725 4.427 1.911 35 1HG PRO 4 2HG PRO 4 28.123 2.212 0.479 36 2HG PRO 4 1HG PRO 4 28.809 3.581 1.371 37 1HD PRO 4 2HD PRO 4 28.578 1.043 2.378 38 2HD PRO 4 1HD PRO 4 28.640 2.505 3.380 39 H ILE 5 H ILE 5 26.546 0.248 1.191 40 HA ILE 5 HA ILE 5 24.949 0.027 -1.105 41 HB ILE 5 HB ILE 5 26.093 -2.237 0.530 42 1HG1 ILE 5 2HG1 ILE 5 27.482 -1.456 -1.925 43 2HG1 ILE 5 1HG1 ILE 5 27.492 -0.198 -0.693 44 1HG2 ILE 5 1HG2 ILE 5 25.474 -2.224 -2.411 45 2HG2 ILE 5 2HG2 ILE 5 24.318 -2.766 -1.194 46 3HG2 ILE 5 3HG2 ILE 5 25.860 -3.602 -1.379 47 1HD1 ILE 5 1HD1 ILE 5 29.117 -1.244 0.367 48 2HD1 ILE 5 2HD1 ILE 5 29.116 -2.496 -0.874 49 3HD1 ILE 5 3HD1 ILE 5 28.099 -2.672 0.556 50 H LYS 6 H LYS 6 24.639 -1.893 1.863 51 HA LYS 6 HA LYS 6 22.074 -2.867 1.320 52 1HB LYS 6 2HB LYS 6 23.301 -2.389 4.043 53 2HB LYS 6 1HB LYS 6 21.978 -3.488 3.674 54 1HG LYS 6 2HG LYS 6 24.771 -3.747 2.582 55 2HG LYS 6 1HG LYS 6 24.148 -4.623 3.981 56 1HD LYS 6 2HD LYS 6 22.915 -4.746 1.232 57 2HD LYS 6 1HD LYS 6 24.098 -5.910 1.834 58 1HE LYS 6 2HE LYS 6 22.272 -7.044 2.504 59 2HE LYS 6 1HE LYS 6 22.316 -5.922 3.864 60 1HZ LYS 6 1HZ LYS 6 20.796 -5.356 1.386 61 2HZ LYS 6 2HZ LYS 6 20.665 -4.587 2.888 62 3HZ LYS 6 3HZ LYS 6 20.116 -6.176 2.701 63 H ALA 7 H ALA 7 23.143 0.195 2.421 64 HA ALA 7 HA ALA 7 20.691 1.011 3.661 65 1HB ALA 7 1HB ALA 7 23.108 2.561 2.750 66 2HB ALA 7 2HB ALA 7 22.715 2.053 4.392 67 3HB ALA 7 3HB ALA 7 21.736 3.281 3.590 68 H ILE 8 H ILE 8 22.243 1.561 0.533 69 HA ILE 8 HA ILE 8 20.233 3.280 -0.492 70 HB ILE 8 HB ILE 8 22.518 3.188 -1.414 71 1HG1 ILE 8 2HG1 ILE 8 20.795 2.371 -3.703 72 2HG1 ILE 8 1HG1 ILE 8 20.267 3.744 -2.736 73 1HG2 ILE 8 1HG2 ILE 8 21.768 0.388 -1.832 74 2HG2 ILE 8 2HG2 ILE 8 23.358 1.121 -1.625 75 3HG2 ILE 8 3HG2 ILE 8 22.576 1.144 -3.206 76 1HD1 ILE 8 1HD1 ILE 8 22.125 3.722 -4.829 77 2HD1 ILE 8 2HD1 ILE 8 23.045 4.018 -3.354 78 3HD1 ILE 8 3HD1 ILE 8 21.694 5.070 -3.777 79 H LYS 9 H LYS 9 20.559 -0.166 -0.274 80 HA LYS 9 HA LYS 9 18.610 -0.792 -2.277 81 1HB LYS 9 2HB LYS 9 19.302 -2.659 -0.040 82 2HB LYS 9 1HB LYS 9 18.963 -3.023 -1.727 83 1HG LYS 9 2HG LYS 9 21.247 -1.440 -1.794 84 2HG LYS 9 1HG LYS 9 21.484 -2.523 -0.421 85 1HD LYS 9 2HD LYS 9 21.507 -4.399 -1.729 86 2HD LYS 9 1HD LYS 9 20.461 -3.686 -2.958 87 1HE LYS 9 2HE LYS 9 23.098 -2.416 -2.628 88 2HE LYS 9 1HE LYS 9 23.119 -4.061 -3.262 89 1HZ LYS 9 1HZ LYS 9 21.566 -1.795 -4.391 90 2HZ LYS 9 2HZ LYS 9 21.593 -3.371 -5.003 91 3HZ LYS 9 3HZ LYS 9 22.996 -2.428 -5.036 92 H THR 10 H THR 10 18.607 -0.412 1.222 93 HA THR 10 HA THR 10 15.936 -1.275 1.618 94 HB THR 10 HB THR 10 18.100 -0.214 3.224 95 HG1 THR 10 1HG THR 10 17.404 -1.742 4.517 96 1HG2 THR 10 1HG2 THR 10 15.357 0.674 4.084 97 2HG2 THR 10 2HG2 THR 10 16.638 1.745 3.515 98 3HG2 THR 10 3HG2 THR 10 16.856 0.819 5.000 99 H VAL 11 H VAL 11 17.422 1.883 1.084 100 HA VAL 11 HA VAL 11 15.061 3.402 1.411 101 HB VAL 11 HB VAL 11 16.307 5.152 0.114 102 1HG1 VAL 11 1HG1 VAL 11 16.796 4.100 2.690 103 2HG1 VAL 11 2HG1 VAL 11 17.028 5.754 2.122 104 3HG1 VAL 11 3HG1 VAL 11 18.349 4.590 2.012 105 1HG2 VAL 11 1HG2 VAL 11 18.667 4.750 -0.388 106 2HG2 VAL 11 2HG2 VAL 11 17.617 3.674 -1.310 107 3HG2 VAL 11 3HG2 VAL 11 18.481 3.067 0.102 108 H GLY 12 H GLY 12 16.694 2.032 -1.415 109 1HA GLY 12 2HA GLY 12 14.953 3.066 -3.372 110 2HA GLY 12 1HA GLY 12 15.949 1.625 -3.551 111 H LYS 13 H LYS 13 14.828 0.155 -1.395 112 HA LYS 13 HA LYS 13 12.533 -0.931 -2.715 113 1HB LYS 13 2HB LYS 13 14.109 -1.586 -0.266 114 2HB LYS 13 1HB LYS 13 12.485 -2.245 -0.403 115 1HG LYS 13 2HG LYS 13 14.723 -2.634 -2.379 116 2HG LYS 13 1HG LYS 13 14.142 -3.824 -1.212 117 1HD LYS 13 2HD LYS 13 11.913 -3.725 -2.304 118 2HD LYS 13 1HD LYS 13 12.597 -2.648 -3.522 119 1HE LYS 13 2HE LYS 13 14.046 -5.176 -3.052 120 2HE LYS 13 1HE LYS 13 12.457 -5.320 -3.802 121 1HZ LYS 13 1HZ LYS 13 14.883 -4.534 -4.981 122 2HZ LYS 13 2HZ LYS 13 13.803 -3.236 -5.072 123 3HZ LYS 13 3HZ LYS 13 13.373 -4.740 -5.716 124 H ALA 14 H ALA 14 13.104 1.384 -0.228 125 HA ALA 14 HA ALA 14 10.571 1.251 1.055 126 1HB ALA 14 1HB ALA 14 12.862 2.428 1.725 127 2HB ALA 14 2HB ALA 14 11.305 2.976 2.349 128 3HB ALA 14 3HB ALA 14 12.057 3.816 0.993 129 H VAL 15 H VAL 15 11.926 3.495 -1.341 130 HA VAL 15 HA VAL 15 9.622 5.010 -1.773 131 HB VAL 15 HB VAL 15 11.663 4.383 -3.903 132 1HG1 VAL 15 1HG1 VAL 15 11.132 6.873 -4.387 133 2HG1 VAL 15 2HG1 VAL 15 9.680 6.572 -3.432 134 3HG1 VAL 15 3HG1 VAL 15 9.984 5.633 -4.894 135 1HG2 VAL 15 1HG2 VAL 15 13.205 5.172 -2.486 136 2HG2 VAL 15 2HG2 VAL 15 11.990 5.773 -1.358 137 3HG2 VAL 15 3HG2 VAL 15 12.457 6.747 -2.753 138 H GLY 16 H GLY 16 10.686 1.961 -3.159 139 1HA GLY 16 2HA GLY 16 8.710 1.816 -5.199 140 2HA GLY 16 1HA GLY 16 9.641 0.466 -4.563 141 H LYS 17 H LYS 17 8.817 0.757 -1.843 142 HA LYS 17 HA LYS 17 6.333 -0.666 -1.972 143 1HB LYS 17 2HB LYS 17 8.443 -0.297 -0.072 144 2HB LYS 17 1HB LYS 17 6.914 0.086 0.706 145 1HG LYS 17 2HG LYS 17 6.160 -2.050 0.596 146 2HG LYS 17 1HG LYS 17 7.036 -2.401 -0.895 147 1HD LYS 17 2HD LYS 17 9.152 -2.376 0.427 148 2HD LYS 17 1HD LYS 17 8.178 -2.215 1.890 149 1HE LYS 17 2HE LYS 17 6.962 -4.333 0.920 150 2HE LYS 17 1HE LYS 17 8.482 -4.541 0.052 151 1HZ LYS 17 1HZ LYS 17 7.890 -4.990 2.816 152 2HZ LYS 17 2HZ LYS 17 9.253 -4.012 2.608 153 3HZ LYS 17 3HZ LYS 17 9.195 -5.541 1.890 154 H GLY 18 H GLY 18 7.352 2.585 -1.168 155 1HA GLY 18 2HA GLY 18 4.993 3.461 0.106 156 2HA GLY 18 1HA GLY 18 6.155 4.495 -0.717 157 H LEU 19 H LEU 19 6.018 3.675 -3.291 158 HA LEU 19 HA LEU 19 3.714 4.945 -4.258 159 1HB LEU 19 2HB LEU 19 5.307 5.014 -5.868 160 2HB LEU 19 1HB LEU 19 5.995 3.473 -5.397 161 HG LEU 19 HG LEU 19 3.361 3.320 -6.716 162 1HD1 LEU 19 1HD1 LEU 19 4.004 4.878 -8.250 163 2HD1 LEU 19 2HD1 LEU 19 4.763 3.447 -8.949 164 3HD1 LEU 19 3HD1 LEU 19 5.724 4.580 -7.998 165 1HD2 LEU 19 1HD2 LEU 19 5.866 1.868 -7.465 166 2HD2 LEU 19 2HD2 LEU 19 4.191 1.326 -7.552 167 3HD2 LEU 19 3HD2 LEU 19 4.998 1.448 -5.989 168 H ARG 20 H ARG 20 4.586 1.506 -4.140 169 HA ARG 20 HA ARG 20 2.191 0.545 -5.236 170 1HB ARG 20 2HB ARG 20 4.397 -0.720 -4.808 171 2HB ARG 20 1HB ARG 20 3.780 -0.972 -3.180 172 1HG ARG 20 2HG ARG 20 3.371 -2.849 -4.781 173 2HG ARG 20 1HG ARG 20 1.929 -2.221 -3.980 174 1HD ARG 20 2HD ARG 20 1.533 -2.615 -6.361 175 2HD ARG 20 1HD ARG 20 1.385 -0.907 -5.959 176 HE ARG 20 HE ARG 20 4.000 -1.285 -6.762 177 1HH1 ARG 20 1HH1 ARG 20 0.831 -1.662 -8.158 178 2HH1 ARG 20 2HH1 ARG 20 1.363 -1.332 -9.772 179 1HH2 ARG 20 1HH2 ARG 20 4.707 -0.844 -8.881 180 2HH2 ARG 20 2HH2 ARG 20 3.566 -0.864 -10.184 181 H ALA 21 H ALA 21 3.101 1.496 -2.007 182 HA ALA 21 HA ALA 21 0.963 0.377 -0.581 183 1HB ALA 21 1HB ALA 21 2.692 2.791 -0.107 184 2HB ALA 21 2HB ALA 21 2.722 1.232 0.717 185 3HB ALA 21 3HB ALA 21 1.391 2.354 1.001 186 H ILE 22 H ILE 22 1.238 3.249 -2.558 187 HA ILE 22 HA ILE 22 -1.285 4.359 -1.785 188 HB ILE 22 HB ILE 22 0.561 4.880 -4.114 189 1HG1 ILE 22 2HG1 ILE 22 -0.228 7.098 -2.384 190 2HG1 ILE 22 1HG1 ILE 22 0.539 5.786 -1.493 191 1HG2 ILE 22 1HG2 ILE 22 -0.915 6.726 -4.774 192 2HG2 ILE 22 2HG2 ILE 22 -2.097 6.199 -3.576 193 3HG2 ILE 22 3HG2 ILE 22 -1.705 5.158 -4.945 194 1HD1 ILE 22 1HD1 ILE 22 1.661 7.610 -3.537 195 2HD1 ILE 22 2HD1 ILE 22 2.290 5.963 -3.463 196 3HD1 ILE 22 3HD1 ILE 22 2.371 7.004 -2.041 197 H ASN 23 H ASN 23 -0.145 1.946 -3.963 198 HA ASN 23 HA ASN 23 -2.435 1.857 -5.656 199 1HB ASN 23 2HB ASN 23 -1.038 0.575 -6.835 200 2HB ASN 23 1HB ASN 23 0.112 0.639 -5.522 201 1HD2 ASN 23 1HD2 ASN 23 0.433 -1.138 -4.277 202 2HD2 ASN 23 2HD2 ASN 23 -0.327 -2.662 -4.563 203 H ILE 24 H ILE 24 -1.261 -0.450 -3.256 204 HA ILE 24 HA ILE 24 -3.575 -1.970 -3.063 205 HB ILE 24 HB ILE 24 -2.760 -2.566 -0.769 206 1HG1 ILE 24 2HG1 ILE 24 -0.359 -1.710 -0.330 207 2HG1 ILE 24 1HG1 ILE 24 -0.778 -0.411 -1.444 208 1HG2 ILE 24 1HG2 ILE 24 -1.585 -4.116 -1.831 209 2HG2 ILE 24 2HG2 ILE 24 -0.287 -2.961 -2.130 210 3HG2 ILE 24 3HG2 ILE 24 -1.613 -3.115 -3.282 211 1HD1 ILE 24 1HD1 ILE 24 -2.664 -0.962 0.762 212 2HD1 ILE 24 2HD1 ILE 24 -2.198 0.565 0.021 213 3HD1 ILE 24 3HD1 ILE 24 -1.120 -0.216 1.171 214 H ALA 25 H ALA 25 -2.788 1.173 -1.974 215 HA ALA 25 HA ALA 25 -4.891 1.319 -0.023 216 1HB ALA 25 1HB ALA 25 -2.761 2.592 0.213 217 2HB ALA 25 2HB ALA 25 -4.205 3.599 0.308 218 3HB ALA 25 3HB ALA 25 -3.247 3.569 -1.172 219 H SER 26 H SER 26 -4.333 2.050 -3.377 220 HA SER 26 HA SER 26 -6.681 3.671 -3.713 221 1HB SER 26 2HB SER 26 -4.521 2.637 -5.428 222 2HB SER 26 1HB SER 26 -6.087 2.760 -6.230 223 HG SER 26 HG SER 26 -4.593 4.807 -4.973 224 H THR 27 H THR 27 -5.884 0.287 -3.899 225 HA THR 27 HA THR 27 -8.259 -0.542 -5.238 226 HB THR 27 HB THR 27 -6.567 -2.237 -3.402 227 HG1 THR 27 1HG THR 27 -6.091 -1.918 -6.160 228 1HG2 THR 27 1HG2 THR 27 -7.522 -3.329 -5.937 229 2HG2 THR 27 2HG2 THR 27 -8.796 -2.932 -4.783 230 3HG2 THR 27 3HG2 THR 27 -7.503 -4.039 -4.323 231 H ALA 28 H ALA 28 -7.253 -0.290 -1.868 232 HA ALA 28 HA ALA 28 -9.450 -1.495 -0.649 233 1HB ALA 28 1HB ALA 28 -8.539 -0.788 1.291 234 2HB ALA 28 2HB ALA 28 -8.350 0.870 0.721 235 3HB ALA 28 3HB ALA 28 -7.174 -0.360 0.258 236 H ASN 29 H ASN 29 -9.090 1.645 -2.118 237 HA ASN 29 HA ASN 29 -11.227 3.009 -0.965 238 1HB ASN 29 2HB ASN 29 -10.319 3.211 -3.841 239 2HB ASN 29 1HB ASN 29 -11.201 4.433 -2.930 240 1HD2 ASN 29 1HD2 ASN 29 -9.545 3.725 -0.516 241 2HD2 ASN 29 2HD2 ASN 29 -8.046 4.543 -0.775 242 H ASP 30 H ASP 30 -11.317 1.586 -4.218 243 HA ASP 30 HA ASP 30 -14.045 1.613 -4.574 244 1HB ASP 30 2HB ASP 30 -12.026 0.825 -6.127 245 2HB ASP 30 1HB ASP 30 -12.571 -0.765 -5.600 246 H VAL 31 H VAL 31 -12.076 -0.714 -2.837 247 HA VAL 31 HA VAL 31 -14.057 -2.689 -2.464 248 HB VAL 31 HB VAL 31 -11.777 -2.064 -0.588 249 1HG1 VAL 31 1HG1 VAL 31 -12.220 -4.817 -0.771 250 2HG1 VAL 31 2HG1 VAL 31 -13.821 -4.089 -0.643 251 3HG1 VAL 31 3HG1 VAL 31 -12.600 -3.760 0.587 252 1HG2 VAL 31 1HG2 VAL 31 -10.290 -2.983 -1.995 253 2HG2 VAL 31 2HG2 VAL 31 -11.478 -2.595 -3.240 254 3HG2 VAL 31 3HG2 VAL 31 -11.424 -4.216 -2.547 255 H PHE 32 H PHE 32 -13.028 0.055 -0.486 256 HA PHE 32 HA PHE 32 -14.636 -0.335 1.735 257 1HB PHE 32 2HB PHE 32 -13.030 1.381 1.888 258 2HB PHE 32 1HB PHE 32 -13.586 2.154 0.407 259 HD1 PHE 32 1HD PHE 32 -13.723 2.183 3.934 260 HD2 PHE 32 2HD PHE 32 -15.982 3.136 0.456 261 HE1 PHE 32 1HE PHE 32 -15.125 3.703 5.266 262 HE2 PHE 32 2HE PHE 32 -17.388 4.658 1.780 263 HZ PHE 32 HZ PHE 32 -16.961 4.944 4.189 264 H ASN 33 H ASN 33 -15.429 0.915 -1.429 265 HA ASN 33 HA ASN 33 -18.038 1.860 -0.689 266 1HB ASN 33 2HB ASN 33 -16.368 1.832 -3.085 267 2HB ASN 33 1HB ASN 33 -18.064 1.516 -3.438 268 1HD2 ASN 33 1HD2 ASN 33 -18.418 3.445 -4.459 269 2HD2 ASN 33 2HD2 ASN 33 -18.435 4.962 -3.632 270 H PHE 34 H PHE 34 -16.699 -1.020 -2.215 271 HA PHE 34 HA PHE 34 -19.193 -2.219 -2.847 272 1HB PHE 34 2HB PHE 34 -17.091 -2.860 -3.960 273 2HB PHE 34 1HB PHE 34 -16.490 -3.518 -2.442 274 HD1 PHE 34 1HD PHE 34 -19.107 -3.917 -5.029 275 HD2 PHE 34 2HD PHE 34 -17.027 -5.698 -1.772 276 HE1 PHE 34 1HE PHE 34 -20.127 -6.090 -5.570 277 HE2 PHE 34 2HE PHE 34 -18.043 -7.874 -2.307 278 HZ PHE 34 HZ PHE 34 -19.595 -8.072 -4.209 279 H LEU 35 H LEU 35 -17.609 -1.729 0.086 280 HA LEU 35 HA LEU 35 -18.783 -4.065 1.381 281 1HB LEU 35 2HB LEU 35 -16.502 -3.455 1.989 282 2HB LEU 35 1HB LEU 35 -17.036 -1.855 2.468 283 HG LEU 35 HG LEU 35 -18.318 -2.797 4.312 284 1HD1 LEU 35 1HD1 LEU 35 -19.052 -4.881 3.520 285 2HD1 LEU 35 2HD1 LEU 35 -17.934 -5.255 4.831 286 3HD1 LEU 35 3HD1 LEU 35 -17.411 -5.414 3.154 287 1HD2 LEU 35 1HD2 LEU 35 -16.514 -3.383 5.720 288 2HD2 LEU 35 2HD2 LEU 35 -15.855 -2.273 4.518 289 3HD2 LEU 35 3HD2 LEU 35 -15.566 -4.006 4.370 290 H LYS 36 H LYS 36 -19.985 -1.259 0.390 291 HA LYS 36 HA LYS 36 -21.712 -0.932 2.754 292 1HB LYS 36 2HB LYS 36 -20.272 1.031 1.128 293 2HB LYS 36 1HB LYS 36 -21.976 1.412 1.329 294 1HG LYS 36 2HG LYS 36 -20.900 2.508 3.086 295 2HG LYS 36 1HG LYS 36 -21.600 1.063 3.820 296 1HD LYS 36 2HD LYS 36 -19.567 0.093 4.175 297 2HD LYS 36 1HD LYS 36 -18.831 0.866 2.770 298 1HE LYS 36 2HE LYS 36 -17.824 1.840 4.680 299 2HE LYS 36 1HE LYS 36 -18.951 3.035 4.041 300 1HZ LYS 36 1HZ LYS 36 -19.039 2.784 6.482 301 2HZ LYS 36 2HZ LYS 36 -19.573 1.192 6.283 302 3HZ LYS 36 3HZ LYS 36 -20.525 2.478 5.731 303 HA PRO 37 HA PRO 37 -24.190 -2.622 -0.862 304 1HB PRO 37 2HB PRO 37 -25.983 -3.728 0.993 305 2HB PRO 37 1HB PRO 37 -24.706 -4.592 0.134 306 1HG PRO 37 2HG PRO 37 -24.714 -3.475 2.896 307 2HG PRO 37 1HG PRO 37 -23.941 -4.946 2.278 308 1HD PRO 37 2HD PRO 37 -22.513 -2.745 2.813 309 2HD PRO 37 1HD PRO 37 -22.124 -3.776 1.419 310 H LYS 38 H LYS 38 -26.494 -2.235 -1.317 311 HA LYS 38 HA LYS 38 -27.261 0.379 -1.044 312 1HB LYS 38 2HB LYS 38 -28.297 -1.808 -2.309 313 2HB LYS 38 1HB LYS 38 -29.525 -1.501 -1.088 314 1HG LYS 38 2HG LYS 38 -30.182 -0.333 -3.034 315 2HG LYS 38 1HG LYS 38 -29.588 0.876 -1.894 316 1HD LYS 38 2HD LYS 38 -27.312 0.259 -3.242 317 2HD LYS 38 1HD LYS 38 -28.525 0.055 -4.508 318 1HE LYS 38 2HE LYS 38 -29.349 2.302 -4.116 319 2HE LYS 38 1HE LYS 38 -28.217 2.509 -2.780 320 1HZ LYS 38 1HZ LYS 38 -27.458 3.551 -4.855 321 2HZ LYS 38 2HZ LYS 38 -27.426 2.034 -5.603 322 3HZ LYS 38 3HZ LYS 38 -26.387 2.360 -4.308 323 H LYS 39 H LYS 39 -27.676 -2.220 1.228 324 HA LYS 39 HA LYS 39 -29.275 -0.469 2.968 325 1HB LYS 39 2HB LYS 39 -29.704 -2.624 4.243 326 2HB LYS 39 1HB LYS 39 -30.429 -2.507 2.646 327 1HG LYS 39 2HG LYS 39 -27.768 -3.709 2.646 328 2HG LYS 39 1HG LYS 39 -28.971 -4.614 3.567 329 1HD LYS 39 2HD LYS 39 -30.366 -4.872 1.690 330 2HD LYS 39 1HD LYS 39 -29.511 -3.623 0.781 331 1HE LYS 39 2HE LYS 39 -27.552 -5.041 0.624 332 2HE LYS 39 1HE LYS 39 -28.333 -6.271 1.615 333 1HZ LYS 39 1HZ LYS 39 -29.321 -7.102 -0.169 334 2HZ LYS 39 2HZ LYS 39 -28.416 -6.047 -1.132 335 3HZ LYS 39 3HZ LYS 39 -29.960 -5.597 -0.607 336 H ARG 40 H ARG 40 -26.614 0.157 2.799 337 HA ARG 40 HA ARG 40 -24.970 -1.128 4.700 338 1HB ARG 40 2HB ARG 40 -23.514 0.801 4.500 339 2HB ARG 40 1HB ARG 40 -24.107 0.340 2.910 340 1HG ARG 40 2HG ARG 40 -25.920 2.132 3.321 341 2HG ARG 40 1HG ARG 40 -24.822 2.718 4.573 342 1HD ARG 40 2HD ARG 40 -23.023 2.718 2.779 343 2HD ARG 40 1HD ARG 40 -24.328 2.492 1.615 344 HE ARG 40 HE ARG 40 -24.784 4.712 1.811 345 1HH1 ARG 40 1HH1 ARG 40 -23.128 3.678 4.694 346 2HH1 ARG 40 2HH1 ARG 40 -23.052 5.268 5.377 347 1HH2 ARG 40 1HH2 ARG 40 -24.690 6.811 2.702 348 2HH2 ARG 40 2HH2 ARG 40 -23.937 7.050 4.244 349 H LYS 41 H LYS 41 -25.322 -1.243 6.812 350 HA LYS 41 HA LYS 41 -26.995 0.690 8.158 351 1HB LYS 41 2HB LYS 41 -25.476 -1.361 9.689 352 2HB LYS 41 1HB LYS 41 -27.139 -0.821 9.879 353 1HG LYS 41 2HG LYS 41 -27.037 -2.067 7.379 354 2HG LYS 41 1HG LYS 41 -26.108 -3.096 8.470 355 1HD LYS 41 2HD LYS 41 -27.921 -3.592 9.767 356 2HD LYS 41 1HD LYS 41 -28.715 -2.051 9.438 357 1HE LYS 41 2HE LYS 41 -29.558 -2.780 7.399 358 2HE LYS 41 1HE LYS 41 -28.376 -4.081 7.264 359 1HZ LYS 41 1HZ LYS 41 -30.953 -4.079 8.523 360 2HZ LYS 41 2HZ LYS 41 -29.741 -4.695 9.528 361 3HZ LYS 41 3HZ LYS 41 -30.005 -5.382 8.005 362 H ALA 42 H ALA 42 -26.117 1.278 10.501 363 HA ALA 42 HA ALA 42 -24.576 2.370 11.801 364 1HB ALA 42 1HB ALA 42 -22.236 2.402 10.179 365 2HB ALA 42 2HB ALA 42 -22.947 0.790 10.112 366 3HB ALA 42 3HB ALA 42 -22.536 1.508 11.670 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 33.466 0.478 -0.359 2 2H ALA 1 2HT ALA 1 33.327 0.738 1.333 3 3H ALA 1 3HT ALA 1 34.797 1.102 0.525 4 HA ALA 1 HA ALA 1 32.482 2.664 0.891 5 1HB ALA 1 1HB ALA 1 35.338 2.925 0.527 6 2HB ALA 1 2HB ALA 1 34.203 3.996 1.348 7 3HB ALA 1 3HB ALA 1 34.451 4.141 -0.392 8 H LYS 2 H LYS 2 31.637 0.942 -1.005 9 HA LYS 2 HA LYS 2 31.905 2.308 -3.578 10 1HB LYS 2 2HB LYS 2 31.933 -0.363 -2.961 11 2HB LYS 2 1HB LYS 2 30.264 -0.128 -3.463 12 1HG LYS 2 2HG LYS 2 32.761 0.012 -5.037 13 2HG LYS 2 1HG LYS 2 31.169 -0.607 -5.481 14 1HD LYS 2 2HD LYS 2 30.426 1.854 -5.408 15 2HD LYS 2 1HD LYS 2 32.150 2.228 -5.453 16 1HE LYS 2 2HE LYS 2 31.847 2.182 -7.684 17 2HE LYS 2 1HE LYS 2 31.978 0.436 -7.469 18 1HZ LYS 2 1HZ LYS 2 30.035 0.528 -8.601 19 2HZ LYS 2 2HZ LYS 2 29.624 2.068 -8.035 20 3HZ LYS 2 3HZ LYS 2 29.403 0.716 -7.043 21 H ILE 3 H ILE 3 30.285 3.222 -1.215 22 HA ILE 3 HA ILE 3 28.297 4.261 -0.840 23 HB ILE 3 HB ILE 3 27.996 3.935 -3.825 24 1HG1 ILE 3 2HG1 ILE 3 29.796 5.379 -3.535 25 2HG1 ILE 3 1HG1 ILE 3 28.439 6.498 -3.614 26 1HG2 ILE 3 1HG2 ILE 3 25.830 4.375 -3.354 27 2HG2 ILE 3 2HG2 ILE 3 26.423 6.032 -3.240 28 3HG2 ILE 3 3HG2 ILE 3 26.202 5.072 -1.777 29 1HD1 ILE 3 1HD1 ILE 3 30.181 5.781 -1.335 30 2HD1 ILE 3 2HD1 ILE 3 28.491 6.148 -0.989 31 3HD1 ILE 3 3HD1 ILE 3 29.504 7.340 -1.804 32 HA PRO 4 HA PRO 4 26.313 -0.046 -1.222 33 1HB PRO 4 2HB PRO 4 26.460 -0.640 1.446 34 2HB PRO 4 1HB PRO 4 27.682 -1.117 0.263 35 1HG PRO 4 2HG PRO 4 27.688 1.187 2.170 36 2HG PRO 4 1HG PRO 4 29.013 0.094 1.728 37 1HD PRO 4 2HD PRO 4 28.796 2.576 0.699 38 2HD PRO 4 1HD PRO 4 29.454 1.219 -0.238 39 H ILE 5 H ILE 5 25.985 2.741 0.852 40 HA ILE 5 HA ILE 5 23.741 2.415 2.278 41 HB ILE 5 HB ILE 5 23.125 4.820 1.165 42 1HG1 ILE 5 2HG1 ILE 5 26.132 4.644 1.002 43 2HG1 ILE 5 1HG1 ILE 5 25.096 4.450 -0.408 44 1HG2 ILE 5 1HG2 ILE 5 24.438 5.802 3.006 45 2HG2 ILE 5 2HG2 ILE 5 25.208 4.236 3.261 46 3HG2 ILE 5 3HG2 ILE 5 23.473 4.419 3.521 47 1HD1 ILE 5 1HD1 ILE 5 24.938 6.641 -0.646 48 2HD1 ILE 5 2HD1 ILE 5 26.105 6.823 0.664 49 3HD1 ILE 5 3HD1 ILE 5 24.376 6.830 1.015 50 H LYS 6 H LYS 6 23.471 3.734 -1.013 51 HA LYS 6 HA LYS 6 20.825 3.566 -1.446 52 1HB LYS 6 2HB LYS 6 21.384 2.946 -3.858 53 2HB LYS 6 1HB LYS 6 22.133 4.400 -3.215 54 1HG LYS 6 2HG LYS 6 24.133 3.612 -3.723 55 2HG LYS 6 1HG LYS 6 23.860 2.207 -2.691 56 1HD LYS 6 2HD LYS 6 24.260 1.231 -4.752 57 2HD LYS 6 1HD LYS 6 22.497 1.311 -4.715 58 1HE LYS 6 2HE LYS 6 23.793 3.701 -5.808 59 2HE LYS 6 1HE LYS 6 24.073 2.234 -6.745 60 1HZ LYS 6 1HZ LYS 6 22.011 3.673 -7.240 61 2HZ LYS 6 2HZ LYS 6 21.347 2.930 -5.874 62 3HZ LYS 6 3HZ LYS 6 21.838 1.990 -7.191 63 H ALA 7 H ALA 7 23.051 0.854 -1.390 64 HA ALA 7 HA ALA 7 21.323 -1.116 -2.404 65 1HB ALA 7 1HB ALA 7 22.891 -2.686 -1.699 66 2HB ALA 7 2HB ALA 7 23.396 -1.703 -0.324 67 3HB ALA 7 3HB ALA 7 23.856 -1.232 -1.960 68 H ILE 8 H ILE 8 22.116 -0.301 0.964 69 HA ILE 8 HA ILE 8 20.291 -2.059 2.164 70 HB ILE 8 HB ILE 8 22.073 -1.042 3.457 71 1HG1 ILE 8 2HG1 ILE 8 19.370 -0.129 4.469 72 2HG1 ILE 8 1HG1 ILE 8 20.008 -1.763 4.623 73 1HG2 ILE 8 1HG2 ILE 8 20.735 1.488 2.634 74 2HG2 ILE 8 2HG2 ILE 8 22.451 1.083 2.686 75 3HG2 ILE 8 3HG2 ILE 8 21.582 1.431 4.181 76 1HD1 ILE 8 1HD1 ILE 8 21.359 0.658 5.780 77 2HD1 ILE 8 2HD1 ILE 8 21.722 -1.039 6.095 78 3HD1 ILE 8 3HD1 ILE 8 20.206 -0.342 6.664 79 H LYS 9 H LYS 9 19.785 0.819 0.434 80 HA LYS 9 HA LYS 9 17.296 1.528 1.716 81 1HB LYS 9 2HB LYS 9 18.685 2.543 -0.764 82 2HB LYS 9 1HB LYS 9 17.125 3.146 -0.221 83 1HG LYS 9 2HG LYS 9 19.768 3.350 1.195 84 2HG LYS 9 1HG LYS 9 18.779 4.660 0.545 85 1HD LYS 9 2HD LYS 9 18.079 2.856 2.859 86 2HD LYS 9 1HD LYS 9 18.536 4.558 2.954 87 1HE LYS 9 2HE LYS 9 16.441 4.533 1.148 88 2HE LYS 9 1HE LYS 9 15.961 3.348 2.361 89 1HZ LYS 9 1HZ LYS 9 16.961 6.003 3.168 90 2HZ LYS 9 2HZ LYS 9 15.978 4.930 4.031 91 3HZ LYS 9 3HZ LYS 9 15.342 5.793 2.722 92 H THR 10 H THR 10 18.359 -0.275 -1.085 93 HA THR 10 HA THR 10 15.806 -0.452 -2.335 94 HB THR 10 HB THR 10 18.295 -2.144 -2.622 95 HG1 THR 10 1HG THR 10 17.224 0.032 -4.073 96 1HG2 THR 10 1HG2 THR 10 17.323 -2.807 -4.817 97 2HG2 THR 10 2HG2 THR 10 15.783 -2.145 -4.269 98 3HG2 THR 10 3HG2 THR 10 16.514 -3.502 -3.412 99 H VAL 11 H VAL 11 17.544 -2.374 0.026 100 HA VAL 11 HA VAL 11 15.672 -4.544 -0.003 101 HB VAL 11 HB VAL 11 18.145 -4.550 0.799 102 1HG1 VAL 11 1HG1 VAL 11 17.974 -2.784 2.444 103 2HG1 VAL 11 2HG1 VAL 11 18.399 -4.303 3.232 104 3HG1 VAL 11 3HG1 VAL 11 16.748 -3.693 3.327 105 1HG2 VAL 11 1HG2 VAL 11 17.589 -6.643 1.285 106 2HG2 VAL 11 2HG2 VAL 11 15.892 -6.166 1.357 107 3HG2 VAL 11 3HG2 VAL 11 16.885 -6.115 2.814 108 H GLY 12 H GLY 12 16.303 -1.770 2.074 109 1HA GLY 12 2HA GLY 12 14.239 -2.309 3.948 110 2HA GLY 12 1HA GLY 12 15.056 -0.770 3.725 111 H LYS 13 H LYS 13 14.287 -0.645 0.861 112 HA LYS 13 HA LYS 13 11.726 0.605 1.266 113 1HB LYS 13 2HB LYS 13 11.906 1.215 -1.129 114 2HB LYS 13 1HB LYS 13 13.322 1.683 -0.198 115 1HG LYS 13 2HG LYS 13 14.322 0.805 -2.043 116 2HG LYS 13 1HG LYS 13 14.232 -0.634 -1.027 117 1HD LYS 13 2HD LYS 13 13.005 -1.670 -2.564 118 2HD LYS 13 1HD LYS 13 11.795 -0.387 -2.488 119 1HE LYS 13 2HE LYS 13 12.479 0.515 -4.417 120 2HE LYS 13 1HE LYS 13 14.180 0.387 -3.969 121 1HZ LYS 13 1HZ LYS 13 13.232 -2.189 -4.477 122 2HZ LYS 13 2HZ LYS 13 14.367 -1.303 -5.365 123 3HZ LYS 13 3HZ LYS 13 12.725 -1.208 -5.759 124 H ALA 14 H ALA 14 12.907 -2.394 -0.040 125 HA ALA 14 HA ALA 14 10.558 -3.096 -1.488 126 1HB ALA 14 1HB ALA 14 13.129 -4.194 -1.094 127 2HB ALA 14 2HB ALA 14 11.884 -4.717 -2.229 128 3HB ALA 14 3HB ALA 14 11.960 -5.424 -0.615 129 H VAL 15 H VAL 15 11.803 -3.979 1.708 130 HA VAL 15 HA VAL 15 9.596 -5.602 2.431 131 HB VAL 15 HB VAL 15 11.720 -4.229 4.071 132 1HG1 VAL 15 1HG1 VAL 15 10.861 -5.838 5.896 133 2HG1 VAL 15 2HG1 VAL 15 9.358 -5.835 4.972 134 3HG1 VAL 15 3HG1 VAL 15 9.995 -4.325 5.624 135 1HG2 VAL 15 1HG2 VAL 15 12.387 -6.635 4.457 136 2HG2 VAL 15 2HG2 VAL 15 12.606 -6.030 2.815 137 3HG2 VAL 15 3HG2 VAL 15 11.231 -7.066 3.197 138 H GLY 16 H GLY 16 10.251 -2.177 2.636 139 1HA GLY 16 2HA GLY 16 8.131 -1.570 4.458 140 2HA GLY 16 1HA GLY 16 9.010 -0.418 3.462 141 H LYS 17 H LYS 17 8.433 -1.705 0.955 142 HA LYS 17 HA LYS 17 5.908 -0.497 0.420 143 1HB LYS 17 2HB LYS 17 8.084 -1.058 -1.098 144 2HB LYS 17 1HB LYS 17 7.016 -2.370 -1.577 145 1HG LYS 17 2HG LYS 17 6.637 -0.639 -3.115 146 2HG LYS 17 1HG LYS 17 5.259 -0.606 -2.013 147 1HD LYS 17 2HD LYS 17 5.773 1.624 -2.073 148 2HD LYS 17 1HD LYS 17 6.778 1.116 -0.715 149 1HE LYS 17 2HE LYS 17 8.349 2.253 -1.900 150 2HE LYS 17 1HE LYS 17 8.520 0.677 -2.671 151 1HZ LYS 17 1HZ LYS 17 6.682 2.736 -3.733 152 2HZ LYS 17 2HZ LYS 17 7.306 1.376 -4.523 153 3HZ LYS 17 3HZ LYS 17 8.315 2.689 -4.175 154 H GLY 18 H GLY 18 7.037 -3.808 0.823 155 1HA GLY 18 2HA GLY 18 4.700 -5.115 -0.056 156 2HA GLY 18 1HA GLY 18 5.894 -5.788 1.045 157 H LEU 19 H LEU 19 5.707 -4.080 3.187 158 HA LEU 19 HA LEU 19 3.506 -5.102 4.575 159 1HB LEU 19 2HB LEU 19 4.725 -4.371 6.281 160 2HB LEU 19 1HB LEU 19 5.787 -3.540 5.164 161 HG LEU 19 HG LEU 19 4.178 -1.575 5.294 162 1HD1 LEU 19 1HD1 LEU 19 3.168 -2.072 7.873 163 2HD1 LEU 19 2HD1 LEU 19 2.741 -3.467 6.883 164 3HD1 LEU 19 3HD1 LEU 19 2.263 -1.847 6.376 165 1HD2 LEU 19 1HD2 LEU 19 6.365 -2.229 6.779 166 2HD2 LEU 19 2HD2 LEU 19 5.166 -1.911 8.032 167 3HD2 LEU 19 3HD2 LEU 19 5.538 -0.673 6.833 168 H ARG 20 H ARG 20 3.995 -2.002 2.959 169 HA ARG 20 HA ARG 20 1.598 -0.800 3.820 170 1HB ARG 20 2HB ARG 20 3.765 -0.129 2.098 171 2HB ARG 20 1HB ARG 20 2.276 0.136 1.205 172 1HG ARG 20 2HG ARG 20 3.367 2.020 2.694 173 2HG ARG 20 1HG ARG 20 1.617 1.858 2.536 174 1HD ARG 20 2HD ARG 20 1.370 0.992 4.656 175 2HD ARG 20 1HD ARG 20 3.023 0.384 4.714 176 HE ARG 20 HE ARG 20 2.110 2.962 5.542 177 1HH1 ARG 20 1HH1 ARG 20 4.837 1.233 4.235 178 2HH1 ARG 20 2HH1 ARG 20 6.007 2.344 4.865 179 1HH2 ARG 20 1HH2 ARG 20 3.644 4.433 6.370 180 2HH2 ARG 20 2HH2 ARG 20 5.329 4.163 6.075 181 H ALA 21 H ALA 21 2.363 -2.847 1.057 182 HA ALA 21 HA ALA 21 -0.042 -2.567 -0.332 183 1HB ALA 21 1HB ALA 21 1.983 -3.760 -1.176 184 2HB ALA 21 2HB ALA 21 0.483 -4.657 -1.409 185 3HB ALA 21 3HB ALA 21 1.583 -5.102 -0.105 186 H ILE 22 H ILE 22 0.828 -4.494 2.460 187 HA ILE 22 HA ILE 22 -1.659 -5.924 2.548 188 HB ILE 22 HB ILE 22 0.542 -5.565 4.583 189 1HG1 ILE 22 2HG1 ILE 22 -0.370 -7.974 2.990 190 2HG1 ILE 22 1HG1 ILE 22 1.043 -6.989 2.623 191 1HG2 ILE 22 1HG2 ILE 22 -0.600 -7.252 5.942 192 2HG2 ILE 22 2HG2 ILE 22 -1.957 -7.237 4.817 193 3HG2 ILE 22 3HG2 ILE 22 -1.576 -5.795 5.758 194 1HD1 ILE 22 1HD1 ILE 22 0.915 -8.118 5.341 195 2HD1 ILE 22 2HD1 ILE 22 2.285 -7.934 4.245 196 3HD1 ILE 22 3HD1 ILE 22 1.147 -9.263 4.020 197 H ASN 23 H ASN 23 -0.520 -2.835 3.516 198 HA ASN 23 HA ASN 23 -2.487 -2.377 5.554 199 1HB ASN 23 2HB ASN 23 -1.394 -0.435 5.935 200 2HB ASN 23 1HB ASN 23 -0.136 -1.234 5.022 201 1HD2 ASN 23 1HD2 ASN 23 -3.006 0.773 4.502 202 2HD2 ASN 23 2HD2 ASN 23 -2.305 1.767 3.276 203 H ILE 24 H ILE 24 -1.993 -1.046 2.301 204 HA ILE 24 HA ILE 24 -4.489 0.249 2.188 205 HB ILE 24 HB ILE 24 -3.959 0.881 0.080 206 1HG1 ILE 24 2HG1 ILE 24 -4.328 -1.490 -0.802 207 2HG1 ILE 24 1HG1 ILE 24 -3.217 -0.477 -1.711 208 1HG2 ILE 24 1HG2 ILE 24 -1.632 1.149 -0.228 209 2HG2 ILE 24 2HG2 ILE 24 -1.271 -0.307 0.699 210 3HG2 ILE 24 3HG2 ILE 24 -1.914 1.119 1.513 211 1HD1 ILE 24 1HD1 ILE 24 -2.735 -3.026 -0.827 212 2HD1 ILE 24 2HD1 ILE 24 -1.875 -2.022 0.340 213 3HD1 ILE 24 3HD1 ILE 24 -1.526 -1.868 -1.382 214 H ALA 25 H ALA 25 -3.521 -2.999 1.979 215 HA ALA 25 HA ALA 25 -5.876 -3.916 0.602 216 1HB ALA 25 1HB ALA 25 -3.648 -5.398 1.993 217 2HB ALA 25 2HB ALA 25 -3.862 -5.179 0.256 218 3HB ALA 25 3HB ALA 25 -4.992 -6.183 1.163 219 H SER 26 H SER 26 -4.770 -3.348 3.847 220 HA SER 26 HA SER 26 -6.989 -4.850 5.008 221 1HB SER 26 2HB SER 26 -4.482 -3.658 6.005 222 2HB SER 26 1HB SER 26 -5.849 -3.530 7.111 223 HG SER 26 HG SER 26 -5.514 -5.998 5.913 224 H THR 27 H THR 27 -6.170 -1.632 4.106 225 HA THR 27 HA THR 27 -8.262 -0.415 5.707 226 HB THR 27 HB THR 27 -6.191 0.622 3.792 227 HG1 THR 27 1HG THR 27 -5.292 1.239 5.575 228 1HG2 THR 27 1HG2 THR 27 -7.085 2.921 4.364 229 2HG2 THR 27 2HG2 THR 27 -8.589 2.108 4.798 230 3HG2 THR 27 3HG2 THR 27 -7.970 1.996 3.150 231 H ALA 28 H ALA 28 -7.735 -1.590 2.486 232 HA ALA 28 HA ALA 28 -9.985 -0.267 1.299 233 1HB ALA 28 1HB ALA 28 -9.569 -1.784 -0.604 234 2HB ALA 28 2HB ALA 28 -8.351 -2.622 0.358 235 3HB ALA 28 3HB ALA 28 -8.114 -0.932 -0.086 236 H ASN 29 H ASN 29 -9.481 -3.134 3.151 237 HA ASN 29 HA ASN 29 -11.620 -4.716 2.307 238 1HB ASN 29 2HB ASN 29 -10.209 -4.444 4.951 239 2HB ASN 29 1HB ASN 29 -11.538 -5.580 4.730 240 1HD2 ASN 29 1HD2 ASN 29 -9.321 -6.726 5.445 241 2HD2 ASN 29 2HD2 ASN 29 -8.512 -7.499 4.128 242 H ASP 30 H ASP 30 -11.626 -2.891 5.355 243 HA ASP 30 HA ASP 30 -14.281 -2.935 5.918 244 1HB ASP 30 2HB ASP 30 -12.113 -1.551 6.910 245 2HB ASP 30 1HB ASP 30 -13.164 -0.257 6.344 246 H VAL 31 H VAL 31 -12.662 -0.904 3.563 247 HA VAL 31 HA VAL 31 -14.879 0.769 2.976 248 HB VAL 31 HB VAL 31 -12.424 0.105 1.351 249 1HG1 VAL 31 1HG1 VAL 31 -14.674 2.021 0.830 250 2HG1 VAL 31 2HG1 VAL 31 -13.971 0.819 -0.253 251 3HG1 VAL 31 3HG1 VAL 31 -13.064 2.275 0.157 252 1HG2 VAL 31 1HG2 VAL 31 -13.106 2.579 2.933 253 2HG2 VAL 31 2HG2 VAL 31 -11.593 2.240 2.093 254 3HG2 VAL 31 3HG2 VAL 31 -12.054 1.282 3.500 255 H PHE 32 H PHE 32 -13.495 -2.040 1.313 256 HA PHE 32 HA PHE 32 -15.174 -2.244 -0.840 257 1HB PHE 32 2HB PHE 32 -13.306 -3.749 -0.585 258 2HB PHE 32 1HB PHE 32 -14.018 -4.462 0.859 259 HD1 PHE 32 1HD PHE 32 -15.960 -3.637 -2.144 260 HD2 PHE 32 2HD PHE 32 -14.006 -6.710 0.057 261 HE1 PHE 32 1HE PHE 32 -17.073 -5.333 -3.534 262 HE2 PHE 32 2HE PHE 32 -15.114 -8.414 -1.331 263 HZ PHE 32 HZ PHE 32 -16.649 -7.726 -3.130 264 H ASN 33 H ASN 33 -15.905 -2.799 2.491 265 HA ASN 33 HA ASN 33 -18.417 -4.146 1.902 266 1HB ASN 33 2HB ASN 33 -16.662 -4.250 4.042 267 2HB ASN 33 1HB ASN 33 -18.005 -3.297 4.668 268 1HD2 ASN 33 1HD2 ASN 33 -18.626 -4.912 6.082 269 2HD2 ASN 33 2HD2 ASN 33 -19.402 -6.360 5.549 270 H PHE 34 H PHE 34 -17.216 -1.008 2.833 271 HA PHE 34 HA PHE 34 -19.634 0.127 3.723 272 1HB PHE 34 2HB PHE 34 -17.175 1.003 3.880 273 2HB PHE 34 1HB PHE 34 -17.541 1.759 2.332 274 HD1 PHE 34 1HD PHE 34 -17.537 2.228 5.779 275 HD2 PHE 34 2HD PHE 34 -19.853 3.073 2.310 276 HE1 PHE 34 1HE PHE 34 -18.609 4.104 6.957 277 HE2 PHE 34 2HE PHE 34 -20.929 4.951 3.481 278 HZ PHE 34 HZ PHE 34 -20.307 5.468 5.808 279 H LEU 35 H LEU 35 -18.155 -0.074 0.527 280 HA LEU 35 HA LEU 35 -20.596 1.111 -0.614 281 1HB LEU 35 2HB LEU 35 -19.327 1.777 -2.511 282 2HB LEU 35 1HB LEU 35 -18.433 2.268 -1.084 283 HG LEU 35 HG LEU 35 -17.541 -0.333 -1.865 284 1HD1 LEU 35 1HD1 LEU 35 -16.633 0.168 -4.067 285 2HD1 LEU 35 2HD1 LEU 35 -17.456 1.727 -4.064 286 3HD1 LEU 35 3HD1 LEU 35 -18.396 0.235 -4.087 287 1HD2 LEU 35 1HD2 LEU 35 -15.571 1.548 -2.446 288 2HD2 LEU 35 2HD2 LEU 35 -15.787 0.665 -0.934 289 3HD2 LEU 35 3HD2 LEU 35 -16.512 2.260 -1.135 290 H LYS 36 H LYS 36 -20.804 -1.499 0.158 291 HA LYS 36 HA LYS 36 -20.100 -3.515 -1.558 292 1HB LYS 36 2HB LYS 36 -21.901 -3.209 0.558 293 2HB LYS 36 1HB LYS 36 -22.871 -3.806 -0.781 294 1HG LYS 36 2HG LYS 36 -22.009 -5.617 0.617 295 2HG LYS 36 1HG LYS 36 -21.404 -5.712 -1.039 296 1HD LYS 36 2HD LYS 36 -19.524 -4.157 0.271 297 2HD LYS 36 1HD LYS 36 -19.953 -5.393 1.456 298 1HE LYS 36 2HE LYS 36 -19.417 -6.219 -1.355 299 2HE LYS 36 1HE LYS 36 -18.052 -5.807 -0.318 300 1HZ LYS 36 1HZ LYS 36 -19.545 -7.433 1.247 301 2HZ LYS 36 2HZ LYS 36 -18.192 -7.914 0.354 302 3HZ LYS 36 3HZ LYS 36 -19.744 -8.129 -0.283 303 HA PRO 37 HA PRO 37 -23.754 -2.450 -4.407 304 1HB PRO 37 2HB PRO 37 -25.211 -0.251 -3.944 305 2HB PRO 37 1HB PRO 37 -25.489 -1.756 -3.061 306 1HG PRO 37 2HG PRO 37 -24.111 0.733 -2.174 307 2HG PRO 37 1HG PRO 37 -25.132 -0.380 -1.251 308 1HD PRO 37 2HD PRO 37 -22.340 -0.340 -1.249 309 2HD PRO 37 1HD PRO 37 -23.360 -1.671 -0.672 310 H LYS 38 H LYS 38 -23.783 0.988 -3.960 311 HA LYS 38 HA LYS 38 -21.455 1.679 -5.367 312 1HB LYS 38 2HB LYS 38 -22.269 2.169 -7.556 313 2HB LYS 38 1HB LYS 38 -22.715 0.506 -7.198 314 1HG LYS 38 2HG LYS 38 -24.718 2.562 -6.523 315 2HG LYS 38 1HG LYS 38 -24.402 2.304 -8.240 316 1HD LYS 38 2HD LYS 38 -24.802 -0.115 -7.909 317 2HD LYS 38 1HD LYS 38 -25.211 0.210 -6.224 318 1HE LYS 38 2HE LYS 38 -27.308 0.264 -7.091 319 2HE LYS 38 1HE LYS 38 -26.865 1.946 -7.379 320 1HZ LYS 38 1HZ LYS 38 -27.851 0.477 -9.280 321 2HZ LYS 38 2HZ LYS 38 -26.249 -0.040 -9.446 322 3HZ LYS 38 3HZ LYS 38 -26.629 1.600 -9.608 323 H LYS 39 H LYS 39 -22.676 2.647 -3.110 324 HA LYS 39 HA LYS 39 -23.288 4.578 -2.077 325 1HB LYS 39 2HB LYS 39 -22.152 5.567 -4.666 326 2HB LYS 39 1HB LYS 39 -22.912 6.705 -3.562 327 1HG LYS 39 2HG LYS 39 -20.664 4.857 -2.797 328 2HG LYS 39 1HG LYS 39 -20.448 6.529 -3.319 329 1HD LYS 39 2HD LYS 39 -21.482 7.386 -1.415 330 2HD LYS 39 1HD LYS 39 -22.288 5.859 -1.051 331 1HE LYS 39 2HE LYS 39 -20.592 5.197 0.225 332 2HE LYS 39 1HE LYS 39 -19.435 5.506 -1.068 333 1HZ LYS 39 1HZ LYS 39 -18.680 7.167 0.167 334 2HZ LYS 39 2HZ LYS 39 -19.947 7.021 1.278 335 3HZ LYS 39 3HZ LYS 39 -20.138 7.984 -0.100 336 H ARG 40 H ARG 40 -25.204 3.069 -3.858 337 HA ARG 40 HA ARG 40 -27.408 3.202 -4.406 338 1HB ARG 40 2HB ARG 40 -27.030 5.181 -2.365 339 2HB ARG 40 1HB ARG 40 -28.185 5.784 -3.546 340 1HG ARG 40 2HG ARG 40 -29.781 4.485 -2.731 341 2HG ARG 40 1HG ARG 40 -28.771 3.049 -2.912 342 1HD ARG 40 2HD ARG 40 -29.195 3.105 -0.632 343 2HD ARG 40 1HD ARG 40 -27.612 3.869 -0.760 344 HE ARG 40 HE ARG 40 -29.874 5.677 -0.787 345 1HH1 ARG 40 1HH1 ARG 40 -27.431 4.072 1.102 346 2HH1 ARG 40 2HH1 ARG 40 -27.525 5.193 2.420 347 1HH2 ARG 40 1HH2 ARG 40 -30.006 7.166 0.943 348 2HH2 ARG 40 2HH2 ARG 40 -28.990 6.951 2.329 349 H LYS 41 H LYS 41 -25.101 4.797 -5.852 350 HA LYS 41 HA LYS 41 -26.288 6.896 -7.275 351 1HB LYS 41 2HB LYS 41 -24.110 5.042 -8.254 352 2HB LYS 41 1HB LYS 41 -24.453 6.661 -8.848 353 1HG LYS 41 2HG LYS 41 -24.058 6.904 -6.077 354 2HG LYS 41 1HG LYS 41 -22.780 5.847 -6.680 355 1HD LYS 41 2HD LYS 41 -23.482 8.575 -7.765 356 2HD LYS 41 1HD LYS 41 -22.095 8.193 -6.741 357 1HE LYS 41 2HE LYS 41 -20.902 7.482 -8.482 358 2HE LYS 41 1HE LYS 41 -22.219 6.456 -9.048 359 1HZ LYS 41 1HZ LYS 41 -22.953 8.026 -10.476 360 2HZ LYS 41 2HZ LYS 41 -21.337 8.521 -10.422 361 3HZ LYS 41 3HZ LYS 41 -22.497 9.324 -9.489 362 H ALA 42 H ALA 42 -26.392 6.703 -9.821 363 HA ALA 42 HA ALA 42 -27.772 4.254 -10.624 364 1HB ALA 42 1HB ALA 42 -29.266 6.400 -11.710 365 2HB ALA 42 2HB ALA 42 -29.121 6.670 -9.973 366 3HB ALA 42 3HB ALA 42 -29.797 5.157 -10.577 Start of MODEL 11 1 1H ALA 1 1HT ALA 1 31.774 -5.380 -3.449 2 2H ALA 1 2HT ALA 1 32.259 -4.388 -2.136 3 3H ALA 1 3HT ALA 1 31.526 -3.685 -3.519 4 HA ALA 1 HA ALA 1 29.492 -4.245 -2.930 5 1HB ALA 1 1HB ALA 1 30.811 -6.746 -2.161 6 2HB ALA 1 2HB ALA 1 29.254 -6.474 -2.944 7 3HB ALA 1 3HB ALA 1 29.396 -6.334 -1.191 8 H LYS 2 H LYS 2 30.453 -2.216 -1.772 9 HA LYS 2 HA LYS 2 31.034 -2.295 0.972 10 1HB LYS 2 2HB LYS 2 29.729 -0.018 -0.524 11 2HB LYS 2 1HB LYS 2 30.654 0.090 0.968 12 1HG LYS 2 2HG LYS 2 32.472 -1.070 -0.664 13 2HG LYS 2 1HG LYS 2 31.567 -0.086 -1.816 14 1HD LYS 2 2HD LYS 2 32.193 1.889 -0.830 15 2HD LYS 2 1HD LYS 2 32.414 1.151 0.757 16 1HE LYS 2 2HE LYS 2 34.603 1.311 0.285 17 2HE LYS 2 1HE LYS 2 34.321 -0.129 -0.692 18 1HZ LYS 2 1HZ LYS 2 35.503 1.853 -1.762 19 2HZ LYS 2 2HZ LYS 2 33.971 2.568 -1.838 20 3HZ LYS 2 3HZ LYS 2 34.262 1.106 -2.637 21 H ILE 3 H ILE 3 29.413 -0.663 2.344 22 HA ILE 3 HA ILE 3 27.105 -2.341 2.806 23 HB ILE 3 HB ILE 3 27.630 0.202 4.297 24 1HG1 ILE 3 2HG1 ILE 3 29.779 -0.665 4.473 25 2HG1 ILE 3 1HG1 ILE 3 28.985 -1.400 5.862 26 1HG2 ILE 3 1HG2 ILE 3 26.599 -2.482 5.198 27 2HG2 ILE 3 2HG2 ILE 3 25.580 -1.129 4.705 28 3HG2 ILE 3 3HG2 ILE 3 26.612 -0.983 6.127 29 1HD1 ILE 3 1HD1 ILE 3 28.511 -3.269 3.979 30 2HD1 ILE 3 2HD1 ILE 3 29.905 -3.277 5.059 31 3HD1 ILE 3 3HD1 ILE 3 30.059 -2.629 3.426 32 HA PRO 4 HA PRO 4 25.298 2.269 1.784 33 1HB PRO 4 2HB PRO 4 26.946 2.193 -0.718 34 2HB PRO 4 1HB PRO 4 26.316 3.590 0.165 35 1HG PRO 4 2HG PRO 4 28.857 2.864 0.442 36 2HG PRO 4 1HG PRO 4 27.918 3.421 1.840 37 1HD PRO 4 2HD PRO 4 28.815 0.683 1.134 38 2HD PRO 4 1HD PRO 4 28.498 1.391 2.730 39 H ILE 5 H ILE 5 26.318 0.449 -1.091 40 HA ILE 5 HA ILE 5 24.166 0.447 -2.635 41 HB ILE 5 HB ILE 5 24.703 -2.277 -2.662 42 1HG1 ILE 5 2HG1 ILE 5 27.333 -0.863 -2.264 43 2HG1 ILE 5 1HG1 ILE 5 26.503 -1.657 -0.930 44 1HG2 ILE 5 1HG2 ILE 5 26.022 -1.755 -4.650 45 2HG2 ILE 5 2HG2 ILE 5 26.073 -0.058 -4.171 46 3HG2 ILE 5 3HG2 ILE 5 24.534 -0.809 -4.594 47 1HD1 ILE 5 1HD1 ILE 5 27.836 -2.833 -3.308 48 2HD1 ILE 5 2HD1 ILE 5 26.481 -3.694 -2.577 49 3HD1 ILE 5 3HD1 ILE 5 27.909 -3.315 -1.613 50 H LYS 6 H LYS 6 24.468 -2.216 -0.298 51 HA LYS 6 HA LYS 6 21.823 -3.073 -0.489 52 1HB LYS 6 2HB LYS 6 22.250 -4.121 1.779 53 2HB LYS 6 1HB LYS 6 23.385 -4.547 0.507 54 1HG LYS 6 2HG LYS 6 24.977 -2.906 1.391 55 2HG LYS 6 1HG LYS 6 23.841 -2.522 2.687 56 1HD LYS 6 2HD LYS 6 25.602 -4.102 3.397 57 2HD LYS 6 1HD LYS 6 23.979 -4.784 3.530 58 1HE LYS 6 2HE LYS 6 24.294 -6.225 1.759 59 2HE LYS 6 1HE LYS 6 25.548 -5.223 1.031 60 1HZ LYS 6 1HZ LYS 6 26.262 -6.237 3.623 61 2HZ LYS 6 2HZ LYS 6 27.133 -6.269 2.173 62 3HZ LYS 6 3HZ LYS 6 25.977 -7.462 2.490 63 H ALA 7 H ALA 7 23.238 -0.486 1.361 64 HA ALA 7 HA ALA 7 21.053 -0.119 3.154 65 1HB ALA 7 1HB ALA 7 23.448 1.504 2.404 66 2HB ALA 7 2HB ALA 7 23.018 0.792 3.959 67 3HB ALA 7 3HB ALA 7 22.162 2.219 3.375 68 H ILE 8 H ILE 8 21.880 1.137 -0.024 69 HA ILE 8 HA ILE 8 19.787 3.107 -0.033 70 HB ILE 8 HB ILE 8 21.872 3.330 -1.389 71 1HG1 ILE 8 2HG1 ILE 8 19.322 3.336 -3.019 72 2HG1 ILE 8 1HG1 ILE 8 19.784 4.597 -1.880 73 1HG2 ILE 8 1HG2 ILE 8 20.781 0.868 -2.595 74 2HG2 ILE 8 2HG2 ILE 8 22.453 1.397 -2.403 75 3HG2 ILE 8 3HG2 ILE 8 21.467 2.047 -3.713 76 1HD1 ILE 8 1HD1 ILE 8 21.847 4.023 -3.847 77 2HD1 ILE 8 2HD1 ILE 8 21.146 5.563 -3.348 78 3HD1 ILE 8 3HD1 ILE 8 20.330 4.573 -4.558 79 H LYS 9 H LYS 9 20.118 -0.230 -0.924 80 HA LYS 9 HA LYS 9 17.773 -0.348 -2.563 81 1HB LYS 9 2HB LYS 9 19.923 -2.062 -1.954 82 2HB LYS 9 1HB LYS 9 18.475 -2.892 -1.399 83 1HG LYS 9 2HG LYS 9 18.430 -3.634 -3.519 84 2HG LYS 9 1HG LYS 9 17.637 -2.087 -3.819 85 1HD LYS 9 2HD LYS 9 20.622 -2.341 -3.951 86 2HD LYS 9 1HD LYS 9 19.612 -2.782 -5.330 87 1HE LYS 9 2HE LYS 9 18.608 -0.529 -5.274 88 2HE LYS 9 1HE LYS 9 19.695 -0.100 -3.953 89 1HZ LYS 9 1HZ LYS 9 20.410 0.597 -6.242 90 2HZ LYS 9 2HZ LYS 9 20.675 -1.038 -6.586 91 3HZ LYS 9 3HZ LYS 9 21.557 -0.280 -5.359 92 H THR 10 H THR 10 18.489 -0.655 0.824 93 HA THR 10 HA THR 10 16.016 -1.896 1.550 94 HB THR 10 HB THR 10 18.124 -0.446 3.152 95 HG1 THR 10 1HG THR 10 17.416 -3.176 3.239 96 1HG2 THR 10 1HG2 THR 10 16.719 -0.285 4.850 97 2HG2 THR 10 2HG2 THR 10 16.668 -2.048 4.889 98 3HG2 THR 10 3HG2 THR 10 15.458 -1.151 3.971 99 H VAL 11 H VAL 11 17.265 1.404 1.542 100 HA VAL 11 HA VAL 11 14.916 2.578 2.644 101 HB VAL 11 HB VAL 11 17.149 3.828 1.038 102 1HG1 VAL 11 1HG1 VAL 11 15.788 5.590 0.874 103 2HG1 VAL 11 2HG1 VAL 11 16.029 5.794 2.609 104 3HG1 VAL 11 3HG1 VAL 11 14.628 4.905 2.012 105 1HG2 VAL 11 1HG2 VAL 11 16.648 3.579 3.996 106 2HG2 VAL 11 2HG2 VAL 11 17.838 4.675 3.295 107 3HG2 VAL 11 3HG2 VAL 11 18.005 2.934 3.072 108 H GLY 12 H GLY 12 16.163 2.121 -0.630 109 1HA GLY 12 2HA GLY 12 14.072 3.513 -1.952 110 2HA GLY 12 1HA GLY 12 15.149 2.330 -2.686 111 H LYS 13 H LYS 13 14.443 0.245 -0.773 112 HA LYS 13 HA LYS 13 12.080 -0.724 -2.118 113 1HB LYS 13 2HB LYS 13 14.036 -1.894 -0.165 114 2HB LYS 13 1HB LYS 13 12.510 -2.708 -0.482 115 1HG LYS 13 2HG LYS 13 14.593 -2.014 -2.544 116 2HG LYS 13 1HG LYS 13 14.315 -3.612 -1.847 117 1HD LYS 13 2HD LYS 13 11.853 -3.165 -2.693 118 2HD LYS 13 1HD LYS 13 12.683 -2.077 -3.808 119 1HE LYS 13 2HE LYS 13 13.872 -3.807 -4.807 120 2HE LYS 13 1HE LYS 13 13.632 -4.892 -3.438 121 1HZ LYS 13 1HZ LYS 13 11.826 -4.263 -5.653 122 2HZ LYS 13 2HZ LYS 13 11.134 -4.603 -4.148 123 3HZ LYS 13 3HZ LYS 13 12.132 -5.746 -4.896 124 H ALA 14 H ALA 14 12.889 0.776 0.888 125 HA ALA 14 HA ALA 14 10.614 -0.089 2.369 126 1HB ALA 14 1HB ALA 14 12.933 1.366 2.915 127 2HB ALA 14 2HB ALA 14 11.659 0.924 4.052 128 3HB ALA 14 3HB ALA 14 11.601 2.480 3.223 129 H VAL 15 H VAL 15 11.397 2.928 0.674 130 HA VAL 15 HA VAL 15 8.899 4.167 1.086 131 HB VAL 15 HB VAL 15 9.627 5.435 -1.095 132 1HG1 VAL 15 1HG1 VAL 15 11.324 6.720 0.329 133 2HG1 VAL 15 2HG1 VAL 15 10.932 5.563 1.601 134 3HG1 VAL 15 3HG1 VAL 15 9.671 6.597 0.931 135 1HG2 VAL 15 1HG2 VAL 15 11.717 5.115 -1.914 136 2HG2 VAL 15 2HG2 VAL 15 11.436 3.481 -1.312 137 3HG2 VAL 15 3HG2 VAL 15 12.373 4.626 -0.352 138 H GLY 16 H GLY 16 10.151 2.037 -1.416 139 1HA GLY 16 2HA GLY 16 8.003 2.299 -3.236 140 2HA GLY 16 1HA GLY 16 9.126 0.948 -3.158 141 H LYS 17 H LYS 17 8.512 0.227 -0.435 142 HA LYS 17 HA LYS 17 6.173 -1.364 -0.948 143 1HB LYS 17 2HB LYS 17 8.315 -1.281 1.078 144 2HB LYS 17 1HB LYS 17 6.753 -1.830 1.671 145 1HG LYS 17 2HG LYS 17 6.724 -3.676 0.247 146 2HG LYS 17 1HG LYS 17 7.975 -3.001 -0.800 147 1HD LYS 17 2HD LYS 17 9.019 -4.709 0.466 148 2HD LYS 17 1HD LYS 17 9.546 -3.179 1.172 149 1HE LYS 17 2HE LYS 17 7.454 -3.556 2.722 150 2HE LYS 17 1HE LYS 17 7.690 -5.241 2.261 151 1HZ LYS 17 1HZ LYS 17 9.361 -3.514 3.912 152 2HZ LYS 17 2HZ LYS 17 10.164 -4.617 2.914 153 3HZ LYS 17 3HZ LYS 17 9.044 -5.170 4.054 154 H GLY 18 H GLY 18 7.050 1.215 1.317 155 1HA GLY 18 2HA GLY 18 4.629 1.329 2.723 156 2HA GLY 18 1HA GLY 18 5.754 2.667 2.536 157 H LEU 19 H LEU 19 5.646 2.954 -0.248 158 HA LEU 19 HA LEU 19 3.334 4.558 -0.525 159 1HB LEU 19 2HB LEU 19 4.973 5.377 -1.870 160 2HB LEU 19 1HB LEU 19 5.635 3.789 -2.209 161 HG LEU 19 HG LEU 19 3.709 3.400 -3.774 162 1HD1 LEU 19 1HD1 LEU 19 2.295 5.156 -4.433 163 2HD1 LEU 19 2HD1 LEU 19 3.258 6.363 -3.582 164 3HD1 LEU 19 3HD1 LEU 19 2.298 5.198 -2.670 165 1HD2 LEU 19 1HD2 LEU 19 5.450 3.892 -5.100 166 2HD2 LEU 19 2HD2 LEU 19 5.935 5.274 -4.117 167 3HD2 LEU 19 3HD2 LEU 19 4.644 5.447 -5.306 168 H ARG 20 H ARG 20 4.266 1.434 -1.897 169 HA ARG 20 HA ARG 20 2.029 1.001 -3.494 170 1HB ARG 20 2HB ARG 20 4.300 -0.402 -2.924 171 2HB ARG 20 1HB ARG 20 3.079 -1.386 -2.131 172 1HG ARG 20 2HG ARG 20 3.382 -0.735 -5.033 173 2HG ARG 20 1HG ARG 20 3.244 -2.310 -4.250 174 1HD ARG 20 2HD ARG 20 1.001 -2.263 -4.292 175 2HD ARG 20 1HD ARG 20 0.932 -0.567 -3.830 176 HE ARG 20 HE ARG 20 0.791 0.007 -6.044 177 1HH1 ARG 20 1HH1 ARG 20 1.766 -3.325 -5.770 178 2HH1 ARG 20 2HH1 ARG 20 1.586 -3.651 -7.461 179 1HH2 ARG 20 1HH2 ARG 20 0.551 -0.414 -8.274 180 2HH2 ARG 20 2HH2 ARG 20 0.895 -1.998 -8.884 181 H ALA 21 H ALA 21 2.584 0.210 -0.095 182 HA ALA 21 HA ALA 21 0.167 -1.141 0.346 183 1HB ALA 21 1HB ALA 21 2.406 -0.453 1.866 184 2HB ALA 21 2HB ALA 21 1.046 -1.458 2.365 185 3HB ALA 21 3HB ALA 21 1.033 0.274 2.701 186 H ILE 22 H ILE 22 0.947 2.273 0.318 187 HA ILE 22 HA ILE 22 -1.503 3.116 1.531 188 HB ILE 22 HB ILE 22 0.512 4.618 -0.145 189 1HG1 ILE 22 2HG1 ILE 22 1.304 3.889 2.069 190 2HG1 ILE 22 1HG1 ILE 22 1.150 5.641 1.987 191 1HG2 ILE 22 1HG2 ILE 22 -0.664 6.661 0.720 192 2HG2 ILE 22 2HG2 ILE 22 -1.976 5.600 1.234 193 3HG2 ILE 22 3HG2 ILE 22 -1.561 5.725 -0.475 194 1HD1 ILE 22 1HD1 ILE 22 0.355 4.648 4.110 195 2HD1 ILE 22 2HD1 ILE 22 -0.909 3.817 3.203 196 3HD1 ILE 22 3HD1 ILE 22 -0.875 5.580 3.256 197 H ASN 23 H ASN 23 -0.541 2.072 -1.571 198 HA ASN 23 HA ASN 23 -2.663 3.366 -3.017 199 1HB ASN 23 2HB ASN 23 -1.331 2.851 -4.725 200 2HB ASN 23 1HB ASN 23 -0.279 1.972 -3.644 201 1HD2 ASN 23 1HD2 ASN 23 -3.140 1.680 -5.666 202 2HD2 ASN 23 2HD2 ASN 23 -2.933 0.006 -6.036 203 H ILE 24 H ILE 24 -1.882 -0.033 -2.414 204 HA ILE 24 HA ILE 24 -4.412 -1.027 -3.097 205 HB ILE 24 HB ILE 24 -3.657 -3.079 -2.532 206 1HG1 ILE 24 2HG1 ILE 24 -3.937 -2.691 -0.101 207 2HG1 ILE 24 1HG1 ILE 24 -2.549 -3.709 -0.467 208 1HG2 ILE 24 1HG2 ILE 24 -1.040 -1.646 -2.144 209 2HG2 ILE 24 2HG2 ILE 24 -1.776 -2.014 -3.705 210 3HG2 ILE 24 3HG2 ILE 24 -1.271 -3.323 -2.638 211 1HD1 ILE 24 1HD1 ILE 24 -1.703 -0.993 -0.382 212 2HD1 ILE 24 2HD1 ILE 24 -1.231 -2.343 0.651 213 3HD1 ILE 24 3HD1 ILE 24 -2.633 -1.359 1.070 214 H ALA 25 H ALA 25 -3.236 0.671 -0.386 215 HA ALA 25 HA ALA 25 -5.380 -0.116 1.363 216 1HB ALA 25 1HB ALA 25 -4.427 1.581 2.898 217 2HB ALA 25 2HB ALA 25 -3.251 2.000 1.652 218 3HB ALA 25 3HB ALA 25 -3.241 0.388 2.368 219 H SER 26 H SER 26 -4.656 2.332 -0.976 220 HA SER 26 HA SER 26 -6.792 4.093 -0.107 221 1HB SER 26 2HB SER 26 -4.613 4.191 -2.082 222 2HB SER 26 1HB SER 26 -6.110 4.949 -2.625 223 HG SER 26 HG SER 26 -6.068 6.170 -0.658 224 H THR 27 H THR 27 -6.165 1.843 -2.765 225 HA THR 27 HA THR 27 -8.714 2.242 -3.996 226 HB THR 27 HB THR 27 -6.604 0.102 -4.307 227 HG1 THR 27 1HG THR 27 -7.426 2.000 -6.218 228 1HG2 THR 27 1HG2 THR 27 -7.733 -0.740 -6.221 229 2HG2 THR 27 2HG2 THR 27 -9.000 0.479 -6.080 230 3HG2 THR 27 3HG2 THR 27 -8.857 -0.790 -4.864 231 H ALA 28 H ALA 28 -7.438 0.248 -1.473 232 HA ALA 28 HA ALA 28 -9.468 -1.736 -1.449 233 1HB ALA 28 1HB ALA 28 -8.640 -1.934 1.020 234 2HB ALA 28 2HB ALA 28 -7.368 -0.840 0.476 235 3HB ALA 28 3HB ALA 28 -7.580 -2.405 -0.308 236 H ASN 29 H ASN 29 -9.222 1.498 -0.183 237 HA ASN 29 HA ASN 29 -11.143 1.447 1.820 238 1HB ASN 29 2HB ASN 29 -9.626 3.399 0.574 239 2HB ASN 29 1HB ASN 29 -11.282 3.863 0.191 240 1HD2 ASN 29 1HD2 ASN 29 -8.921 3.454 2.680 241 2HD2 ASN 29 2HD2 ASN 29 -9.813 4.220 3.945 242 H ASP 30 H ASP 30 -11.747 2.718 -1.446 243 HA ASP 30 HA ASP 30 -14.482 2.797 -1.359 244 1HB ASP 30 2HB ASP 30 -13.438 3.742 -3.259 245 2HB ASP 30 1HB ASP 30 -12.612 2.237 -3.653 246 H VAL 31 H VAL 31 -12.442 0.045 -2.222 247 HA VAL 31 HA VAL 31 -14.473 -1.758 -2.909 248 HB VAL 31 HB VAL 31 -11.815 -2.387 -1.615 249 1HG1 VAL 31 1HG1 VAL 31 -13.983 -4.063 -2.249 250 2HG1 VAL 31 2HG1 VAL 31 -12.356 -4.532 -1.754 251 3HG1 VAL 31 3HG1 VAL 31 -12.742 -4.359 -3.466 252 1HG2 VAL 31 1HG2 VAL 31 -12.507 -2.304 -4.546 253 2HG2 VAL 31 2HG2 VAL 31 -10.925 -2.613 -3.830 254 3HG2 VAL 31 3HG2 VAL 31 -11.664 -1.018 -3.684 255 H PHE 32 H PHE 32 -13.053 -0.887 0.177 256 HA PHE 32 HA PHE 32 -14.285 -2.890 1.742 257 1HB PHE 32 2HB PHE 32 -12.344 -1.148 2.255 258 2HB PHE 32 1HB PHE 32 -13.681 -0.217 2.921 259 HD1 PHE 32 1HD PHE 32 -12.311 -3.685 3.024 260 HD2 PHE 32 2HD PHE 32 -14.180 -0.500 5.141 261 HE1 PHE 32 1HE PHE 32 -12.172 -4.992 5.104 262 HE2 PHE 32 2HE PHE 32 -14.044 -1.802 7.226 263 HZ PHE 32 HZ PHE 32 -13.038 -4.050 7.209 264 H ASN 33 H ASN 33 -15.452 0.038 0.365 265 HA ASN 33 HA ASN 33 -17.742 0.183 2.157 266 1HB ASN 33 2HB ASN 33 -16.520 1.953 0.118 267 2HB ASN 33 1HB ASN 33 -18.270 2.059 0.291 268 1HD2 ASN 33 1HD2 ASN 33 -15.685 3.631 1.127 269 2HD2 ASN 33 2HD2 ASN 33 -16.083 4.155 2.724 270 H PHE 34 H PHE 34 -16.889 -1.082 -0.927 271 HA PHE 34 HA PHE 34 -19.553 -1.191 -1.985 272 1HB PHE 34 2HB PHE 34 -16.870 -2.178 -2.824 273 2HB PHE 34 1HB PHE 34 -18.284 -2.962 -3.519 274 HD1 PHE 34 1HD PHE 34 -18.257 0.586 -2.587 275 HD2 PHE 34 2HD PHE 34 -17.846 -2.228 -5.754 276 HE1 PHE 34 1HE PHE 34 -18.453 2.409 -4.228 277 HE2 PHE 34 2HE PHE 34 -18.040 -0.411 -7.400 278 HZ PHE 34 HZ PHE 34 -18.344 1.912 -6.638 279 H LEU 35 H LEU 35 -17.547 -3.253 -0.024 280 HA LEU 35 HA LEU 35 -19.323 -5.529 -0.352 281 1HB LEU 35 2HB LEU 35 -17.628 -6.788 0.407 282 2HB LEU 35 1HB LEU 35 -16.655 -5.365 0.097 283 HG LEU 35 HG LEU 35 -17.900 -5.907 2.785 284 1HD1 LEU 35 1HD1 LEU 35 -15.557 -6.653 3.400 285 2HD1 LEU 35 2HD1 LEU 35 -15.268 -6.829 1.669 286 3HD1 LEU 35 3HD1 LEU 35 -16.524 -7.786 2.456 287 1HD2 LEU 35 1HD2 LEU 35 -17.269 -3.679 2.710 288 2HD2 LEU 35 2HD2 LEU 35 -15.859 -4.006 1.703 289 3HD2 LEU 35 3HD2 LEU 35 -15.851 -4.461 3.407 290 H LYS 36 H LYS 36 -19.387 -2.751 1.432 291 HA LYS 36 HA LYS 36 -20.981 -4.037 3.539 292 1HB LYS 36 2HB LYS 36 -19.074 -3.344 4.691 293 2HB LYS 36 1HB LYS 36 -18.907 -1.882 3.732 294 1HG LYS 36 2HG LYS 36 -21.389 -1.934 5.219 295 2HG LYS 36 1HG LYS 36 -19.971 -2.073 6.261 296 1HD LYS 36 2HD LYS 36 -19.874 -0.045 4.105 297 2HD LYS 36 1HD LYS 36 -20.949 0.280 5.466 298 1HE LYS 36 2HE LYS 36 -18.322 -0.686 6.280 299 2HE LYS 36 1HE LYS 36 -18.251 0.820 5.366 300 1HZ LYS 36 1HZ LYS 36 -18.497 1.482 7.567 301 2HZ LYS 36 2HZ LYS 36 -19.637 0.284 7.919 302 3HZ LYS 36 3HZ LYS 36 -20.068 1.601 6.949 303 HA PRO 37 HA PRO 37 -23.454 -0.708 1.409 304 1HB PRO 37 2HB PRO 37 -25.095 -2.178 -0.090 305 2HB PRO 37 1HB PRO 37 -23.443 -1.841 -0.622 306 1HG PRO 37 2HG PRO 37 -24.577 -4.328 0.581 307 2HG PRO 37 1HG PRO 37 -23.377 -4.152 -0.711 308 1HD PRO 37 2HD PRO 37 -22.814 -4.672 1.974 309 2HD PRO 37 1HD PRO 37 -21.655 -4.073 0.772 310 H LYS 38 H LYS 38 -23.717 -1.888 4.026 311 HA LYS 38 HA LYS 38 -26.136 -3.068 4.616 312 1HB LYS 38 2HB LYS 38 -24.155 -1.476 6.080 313 2HB LYS 38 1HB LYS 38 -25.776 -1.393 6.757 314 1HG LYS 38 2HG LYS 38 -24.185 -3.896 6.241 315 2HG LYS 38 1HG LYS 38 -24.503 -3.156 7.811 316 1HD LYS 38 2HD LYS 38 -26.987 -3.438 7.213 317 2HD LYS 38 1HD LYS 38 -26.417 -4.544 5.962 318 1HE LYS 38 2HE LYS 38 -25.944 -6.158 7.440 319 2HE LYS 38 1HE LYS 38 -25.233 -5.026 8.589 320 1HZ LYS 38 1HZ LYS 38 -27.918 -6.085 8.464 321 2HZ LYS 38 2HZ LYS 38 -27.841 -4.421 8.759 322 3HZ LYS 38 3HZ LYS 38 -27.044 -5.500 9.790 323 H LYS 39 H LYS 39 -25.575 0.142 3.504 324 HA LYS 39 HA LYS 39 -28.436 0.709 3.839 325 1HB LYS 39 2HB LYS 39 -26.213 2.670 4.425 326 2HB LYS 39 1HB LYS 39 -27.931 3.044 4.433 327 1HG LYS 39 2HG LYS 39 -27.457 2.749 6.672 328 2HG LYS 39 1HG LYS 39 -28.098 1.173 6.201 329 1HD LYS 39 2HD LYS 39 -26.238 0.417 7.236 330 2HD LYS 39 1HD LYS 39 -25.484 0.789 5.684 331 1HE LYS 39 2HE LYS 39 -24.051 1.934 7.015 332 2HE LYS 39 1HE LYS 39 -25.278 3.188 6.837 333 1HZ LYS 39 1HZ LYS 39 -25.644 3.139 9.005 334 2HZ LYS 39 2HZ LYS 39 -24.373 2.038 9.187 335 3HZ LYS 39 3HZ LYS 39 -25.955 1.476 8.978 336 H ARG 40 H ARG 40 -26.086 0.214 1.702 337 HA ARG 40 HA ARG 40 -25.636 0.862 -0.443 338 1HB ARG 40 2HB ARG 40 -28.611 1.217 -0.197 339 2HB ARG 40 1HB ARG 40 -27.784 1.549 -1.713 340 1HG ARG 40 2HG ARG 40 -27.544 -1.076 -0.274 341 2HG ARG 40 1HG ARG 40 -28.803 -0.744 -1.466 342 1HD ARG 40 2HD ARG 40 -26.423 0.079 -2.666 343 2HD ARG 40 1HD ARG 40 -26.030 -1.439 -1.860 344 HE ARG 40 HE ARG 40 -28.437 -1.434 -3.484 345 1HH1 ARG 40 1HH1 ARG 40 -25.040 -2.176 -3.256 346 2HH1 ARG 40 2HH1 ARG 40 -25.063 -3.288 -4.583 347 1HH2 ARG 40 1HH2 ARG 40 -28.477 -2.900 -5.229 348 2HH2 ARG 40 2HH2 ARG 40 -27.016 -3.701 -5.703 349 H LYS 41 H LYS 41 -26.449 2.793 -2.121 350 HA LYS 41 HA LYS 41 -25.032 5.020 -1.508 351 1HB LYS 41 2HB LYS 41 -27.569 4.878 -3.144 352 2HB LYS 41 1HB LYS 41 -26.468 6.248 -3.142 353 1HG LYS 41 2HG LYS 41 -26.042 3.495 -4.227 354 2HG LYS 41 1HG LYS 41 -25.863 5.054 -5.036 355 1HD LYS 41 2HD LYS 41 -24.036 5.332 -3.080 356 2HD LYS 41 1HD LYS 41 -23.976 3.582 -3.305 357 1HE LYS 41 2HE LYS 41 -23.893 5.377 -5.688 358 2HE LYS 41 1HE LYS 41 -22.437 5.158 -4.718 359 1HZ LYS 41 1HZ LYS 41 -23.085 3.570 -6.732 360 2HZ LYS 41 2HZ LYS 41 -23.858 2.736 -5.479 361 3HZ LYS 41 3HZ LYS 41 -22.196 3.036 -5.395 362 H ALA 42 H ALA 42 -28.541 4.675 -0.994 363 HA ALA 42 HA ALA 42 -30.013 5.877 0.273 364 1HB ALA 42 1HB ALA 42 -28.843 6.517 2.589 365 2HB ALA 42 2HB ALA 42 -27.662 5.352 1.991 366 3HB ALA 42 3HB ALA 42 -29.347 4.874 2.194 Start of MODEL 12 1 1H ALA 1 1HT ALA 1 29.498 10.243 2.215 2 2H ALA 1 2HT ALA 1 29.186 11.134 0.782 3 3H ALA 1 3HT ALA 1 30.802 10.789 1.245 4 HA ALA 1 HA ALA 1 28.822 8.705 0.666 5 1HB ALA 1 1HB ALA 1 30.285 10.461 -1.169 6 2HB ALA 1 2HB ALA 1 28.856 9.465 -1.444 7 3HB ALA 1 3HB ALA 1 30.462 8.739 -1.504 8 H LYS 2 H LYS 2 29.617 7.134 1.949 9 HA LYS 2 HA LYS 2 32.303 6.179 1.385 10 1HB LYS 2 2HB LYS 2 32.635 5.890 3.937 11 2HB LYS 2 1HB LYS 2 32.935 7.465 3.217 12 1HG LYS 2 2HG LYS 2 30.224 7.446 3.929 13 2HG LYS 2 1HG LYS 2 31.099 6.735 5.286 14 1HD LYS 2 2HD LYS 2 31.898 9.324 3.969 15 2HD LYS 2 1HD LYS 2 30.826 9.236 5.368 16 1HE LYS 2 2HE LYS 2 32.623 9.220 6.673 17 2HE LYS 2 1HE LYS 2 33.042 7.645 6.001 18 1HZ LYS 2 1HZ LYS 2 34.120 8.983 4.138 19 2HZ LYS 2 2HZ LYS 2 34.912 8.950 5.631 20 3HZ LYS 2 3HZ LYS 2 34.014 10.310 5.183 21 H ILE 3 H ILE 3 29.282 5.720 3.175 22 HA ILE 3 HA ILE 3 29.154 2.973 2.309 23 HB ILE 3 HB ILE 3 28.697 2.904 5.153 24 1HG1 ILE 3 2HG1 ILE 3 31.570 3.432 4.390 25 2HG1 ILE 3 1HG1 ILE 3 30.514 4.690 5.024 26 1HG2 ILE 3 1HG2 ILE 3 30.385 1.413 3.175 27 2HG2 ILE 3 2HG2 ILE 3 28.929 0.881 4.017 28 3HG2 ILE 3 3HG2 ILE 3 30.447 1.049 4.900 29 1HD1 ILE 3 1HD1 ILE 3 30.462 2.329 6.685 30 2HD1 ILE 3 2HD1 ILE 3 30.824 4.003 7.107 31 3HD1 ILE 3 3HD1 ILE 3 32.098 2.956 6.482 32 HA PRO 4 HA PRO 4 25.125 5.184 3.323 33 1HB PRO 4 2HB PRO 4 24.396 6.069 0.900 34 2HB PRO 4 1HB PRO 4 25.502 6.991 1.926 35 1HG PRO 4 2HG PRO 4 26.111 5.227 -0.411 36 2HG PRO 4 1HG PRO 4 26.814 6.796 0.023 37 1HD PRO 4 2HD PRO 4 27.999 4.363 0.543 38 2HD PRO 4 1HD PRO 4 28.330 5.852 1.449 39 H ILE 5 H ILE 5 26.248 2.613 1.532 40 HA ILE 5 HA ILE 5 24.126 1.695 0.029 41 HB ILE 5 HB ILE 5 25.920 -0.030 1.737 42 1HG1 ILE 5 2HG1 ILE 5 26.609 0.148 -1.073 43 2HG1 ILE 5 1HG1 ILE 5 26.638 1.737 -0.314 44 1HG2 ILE 5 1HG2 ILE 5 24.790 -1.742 0.893 45 2HG2 ILE 5 2HG2 ILE 5 25.275 -1.241 -0.727 46 3HG2 ILE 5 3HG2 ILE 5 23.767 -0.643 -0.033 47 1HD1 ILE 5 1HD1 ILE 5 27.983 -0.505 1.086 48 2HD1 ILE 5 2HD1 ILE 5 28.392 1.210 1.033 49 3HD1 ILE 5 3HD1 ILE 5 28.752 0.175 -0.348 50 H LYS 6 H LYS 6 24.820 0.559 3.326 51 HA LYS 6 HA LYS 6 22.567 -0.825 3.885 52 1HB LYS 6 2HB LYS 6 23.925 1.107 5.774 53 2HB LYS 6 1HB LYS 6 22.859 -0.208 6.250 54 1HG LYS 6 2HG LYS 6 24.766 -1.345 6.520 55 2HG LYS 6 1HG LYS 6 24.688 -1.545 4.769 56 1HD LYS 6 2HD LYS 6 25.902 0.859 4.925 57 2HD LYS 6 1HD LYS 6 26.490 0.113 6.412 58 1HE LYS 6 2HE LYS 6 26.621 -1.771 4.254 59 2HE LYS 6 1HE LYS 6 27.432 -0.276 3.791 60 1HZ LYS 6 1HZ LYS 6 28.098 -1.062 6.449 61 2HZ LYS 6 2HZ LYS 6 29.118 -0.730 5.141 62 3HZ LYS 6 3HZ LYS 6 28.472 -2.281 5.337 63 H ALA 7 H ALA 7 22.851 2.645 3.617 64 HA ALA 7 HA ALA 7 20.385 3.333 4.820 65 1HB ALA 7 1HB ALA 7 21.275 5.351 4.557 66 2HB ALA 7 2HB ALA 7 20.978 5.236 2.823 67 3HB ALA 7 3HB ALA 7 22.516 4.693 3.492 68 H ILE 8 H ILE 8 21.325 2.642 1.485 69 HA ILE 8 HA ILE 8 18.780 3.170 0.346 70 HB ILE 8 HB ILE 8 20.880 3.097 -0.976 71 1HG1 ILE 8 2HG1 ILE 8 19.404 1.028 -2.389 72 2HG1 ILE 8 1HG1 ILE 8 18.327 2.234 -1.694 73 1HG2 ILE 8 1HG2 ILE 8 22.247 1.376 -0.617 74 2HG2 ILE 8 2HG2 ILE 8 21.164 0.428 -1.636 75 3HG2 ILE 8 3HG2 ILE 8 20.965 0.413 0.116 76 1HD1 ILE 8 1HD1 ILE 8 20.108 3.871 -2.798 77 2HD1 ILE 8 2HD1 ILE 8 18.721 3.232 -3.679 78 3HD1 ILE 8 3HD1 ILE 8 20.307 2.484 -3.868 79 H LYS 9 H LYS 9 20.086 0.536 2.114 80 HA LYS 9 HA LYS 9 18.344 -1.497 1.129 81 1HB LYS 9 2HB LYS 9 20.446 -1.269 3.117 82 2HB LYS 9 1HB LYS 9 19.097 -2.222 3.718 83 1HG LYS 9 2HG LYS 9 20.933 -3.504 2.576 84 2HG LYS 9 1HG LYS 9 19.300 -3.797 1.976 85 1HD LYS 9 2HD LYS 9 20.619 -1.607 0.591 86 2HD LYS 9 1HD LYS 9 21.509 -3.126 0.454 87 1HE LYS 9 2HE LYS 9 18.595 -3.313 0.065 88 2HE LYS 9 1HE LYS 9 19.470 -2.409 -1.169 89 1HZ LYS 9 1HZ LYS 9 19.599 -5.250 -0.505 90 2HZ LYS 9 2HZ LYS 9 21.031 -4.510 -1.017 91 3HZ LYS 9 3HZ LYS 9 19.666 -4.488 -2.015 92 H THR 10 H THR 10 18.333 0.620 3.966 93 HA THR 10 HA THR 10 15.928 -0.396 5.067 94 HB THR 10 HB THR 10 17.234 2.311 5.425 95 HG1 THR 10 1HG THR 10 17.309 0.143 7.223 96 1HG2 THR 10 1HG2 THR 10 14.722 1.414 6.366 97 2HG2 THR 10 2HG2 THR 10 15.574 2.911 6.744 98 3HG2 THR 10 3HG2 THR 10 15.833 1.475 7.735 99 H VAL 11 H VAL 11 16.661 2.352 2.972 100 HA VAL 11 HA VAL 11 13.999 3.299 2.770 101 HB VAL 11 HB VAL 11 16.267 4.435 2.100 102 1HG1 VAL 11 1HG1 VAL 11 15.447 3.174 -0.510 103 2HG1 VAL 11 2HG1 VAL 11 16.920 2.836 0.399 104 3HG1 VAL 11 3HG1 VAL 11 16.671 4.429 -0.316 105 1HG2 VAL 11 1HG2 VAL 11 13.525 4.787 1.079 106 2HG2 VAL 11 2HG2 VAL 11 14.791 5.665 0.219 107 3HG2 VAL 11 3HG2 VAL 11 14.567 5.912 1.951 108 H GLY 12 H GLY 12 15.959 1.079 0.876 109 1HA GLY 12 2HA GLY 12 14.188 0.640 -1.253 110 2HA GLY 12 1HA GLY 12 15.399 -0.505 -0.691 111 H LYS 13 H LYS 13 14.425 -0.931 1.916 112 HA LYS 13 HA LYS 13 12.545 -2.959 1.474 113 1HB LYS 13 2HB LYS 13 13.365 -1.514 3.995 114 2HB LYS 13 1HB LYS 13 12.254 -2.876 3.996 115 1HG LYS 13 2HG LYS 13 14.890 -3.202 2.661 116 2HG LYS 13 1HG LYS 13 14.825 -3.201 4.425 117 1HD LYS 13 2HD LYS 13 12.741 -4.858 3.306 118 2HD LYS 13 1HD LYS 13 14.330 -5.354 2.720 119 1HE LYS 13 2HE LYS 13 13.759 -4.866 5.632 120 2HE LYS 13 1HE LYS 13 13.503 -6.435 4.870 121 1HZ LYS 13 1HZ LYS 13 15.795 -5.701 6.002 122 2HZ LYS 13 2HZ LYS 13 16.099 -5.221 4.410 123 3HZ LYS 13 3HZ LYS 13 15.699 -6.830 4.744 124 H ALA 14 H ALA 14 12.178 0.367 2.589 125 HA ALA 14 HA ALA 14 9.390 0.228 3.095 126 1HB ALA 14 1HB ALA 14 11.311 2.058 3.631 127 2HB ALA 14 2HB ALA 14 9.580 2.383 3.727 128 3HB ALA 14 3HB ALA 14 10.483 2.836 2.282 129 H VAL 15 H VAL 15 11.324 0.750 0.254 130 HA VAL 15 HA VAL 15 9.299 1.854 -1.402 131 HB VAL 15 HB VAL 15 11.745 0.281 -2.230 132 1HG1 VAL 15 1HG1 VAL 15 9.674 0.905 -3.818 133 2HG1 VAL 15 2HG1 VAL 15 11.345 0.853 -4.381 134 3HG1 VAL 15 3HG1 VAL 15 10.608 2.396 -3.948 135 1HG2 VAL 15 1HG2 VAL 15 11.772 3.201 -2.482 136 2HG2 VAL 15 2HG2 VAL 15 13.029 2.097 -1.925 137 3HG2 VAL 15 3HG2 VAL 15 11.753 2.610 -0.821 138 H GLY 16 H GLY 16 10.395 -1.419 -0.704 139 1HA GLY 16 2HA GLY 16 8.881 -2.752 -2.678 140 2HA GLY 16 1HA GLY 16 9.492 -3.474 -1.195 141 H LYS 17 H LYS 17 8.172 -1.996 0.717 142 HA LYS 17 HA LYS 17 5.623 -3.239 0.727 143 1HB LYS 17 2HB LYS 17 5.448 -2.522 2.901 144 2HB LYS 17 1HB LYS 17 7.190 -2.412 2.696 145 1HG LYS 17 2HG LYS 17 6.724 0.032 2.007 146 2HG LYS 17 1HG LYS 17 5.159 -0.220 2.782 147 1HD LYS 17 2HD LYS 17 6.376 -0.951 4.834 148 2HD LYS 17 1HD LYS 17 7.885 -0.489 4.044 149 1HE LYS 17 2HE LYS 17 7.229 1.327 5.436 150 2HE LYS 17 1HE LYS 17 6.932 1.810 3.767 151 1HZ LYS 17 1HZ LYS 17 5.127 2.300 5.459 152 2HZ LYS 17 2HZ LYS 17 4.799 0.641 5.449 153 3HZ LYS 17 3HZ LYS 17 4.641 1.542 4.026 154 H GLY 18 H GLY 18 6.800 -0.209 -0.410 155 1HA GLY 18 2HA GLY 18 4.413 1.302 -0.301 156 2HA GLY 18 1HA GLY 18 5.768 1.599 -1.381 157 H LEU 19 H LEU 19 5.865 -0.527 -2.997 158 HA LEU 19 HA LEU 19 3.754 -0.085 -4.798 159 1HB LEU 19 2HB LEU 19 4.720 -1.790 -6.153 160 2HB LEU 19 1HB LEU 19 6.033 -0.905 -5.403 161 HG LEU 19 HG LEU 19 5.345 -3.161 -3.763 162 1HD1 LEU 19 1HD1 LEU 19 5.475 -4.969 -5.143 163 2HD1 LEU 19 2HD1 LEU 19 6.354 -4.091 -6.395 164 3HD1 LEU 19 3HD1 LEU 19 4.618 -3.848 -6.202 165 1HD2 LEU 19 1HD2 LEU 19 7.818 -2.637 -5.398 166 2HD2 LEU 19 2HD2 LEU 19 7.678 -3.636 -3.951 167 3HD2 LEU 19 3HD2 LEU 19 7.485 -1.887 -3.837 168 H ARG 20 H ARG 20 4.309 -2.567 -2.369 169 HA ARG 20 HA ARG 20 2.049 -4.146 -3.124 170 1HB ARG 20 2HB ARG 20 4.243 -4.592 -1.545 171 2HB ARG 20 1HB ARG 20 2.985 -4.363 -0.339 172 1HG ARG 20 2HG ARG 20 3.472 -6.740 -1.176 173 2HG ARG 20 1HG ARG 20 1.791 -6.223 -1.042 174 1HD ARG 20 2HD ARG 20 1.461 -6.263 -3.277 175 2HD ARG 20 1HD ARG 20 3.092 -5.699 -3.634 176 HE ARG 20 HE ARG 20 3.809 -7.892 -3.730 177 1HH1 ARG 20 1HH1 ARG 20 0.557 -7.741 -2.499 178 2HH1 ARG 20 2HH1 ARG 20 0.282 -9.444 -2.646 179 1HH2 ARG 20 1HH2 ARG 20 3.459 -10.139 -3.932 180 2HH2 ARG 20 2HH2 ARG 20 1.931 -10.808 -3.465 181 H ALA 21 H ALA 21 2.584 -1.343 -1.211 182 HA ALA 21 HA ALA 21 0.274 -1.510 0.429 183 1HB ALA 21 1HB ALA 21 2.354 0.451 -0.132 184 2HB ALA 21 2HB ALA 21 1.461 0.149 1.358 185 3HB ALA 21 3HB ALA 21 0.772 1.191 0.114 186 H ILE 22 H ILE 22 0.930 -0.304 -2.795 187 HA ILE 22 HA ILE 22 -1.608 0.953 -3.163 188 HB ILE 22 HB ILE 22 0.196 -0.144 -5.325 189 1HG1 ILE 22 2HG1 ILE 22 1.584 1.276 -3.985 190 2HG1 ILE 22 1HG1 ILE 22 1.120 2.200 -5.410 191 1HG2 ILE 22 1HG2 ILE 22 -1.259 2.330 -5.814 192 2HG2 ILE 22 2HG2 ILE 22 -2.312 0.953 -5.484 193 3HG2 ILE 22 3HG2 ILE 22 -1.136 0.870 -6.796 194 1HD1 ILE 22 1HD1 ILE 22 0.208 3.781 -4.162 195 2HD1 ILE 22 2HD1 ILE 22 0.891 2.970 -2.753 196 3HD1 ILE 22 3HD1 ILE 22 -0.757 2.608 -3.268 197 H ASN 23 H ASN 23 -0.248 -2.217 -3.591 198 HA ASN 23 HA ASN 23 -2.317 -3.389 -5.091 199 1HB ASN 23 2HB ASN 23 -0.858 -5.077 -5.075 200 2HB ASN 23 1HB ASN 23 0.129 -4.181 -3.948 201 1HD2 ASN 23 1HD2 ASN 23 0.463 -5.031 -2.007 202 2HD2 ASN 23 2HD2 ASN 23 -0.395 -6.373 -1.339 203 H ILE 24 H ILE 24 -1.607 -3.740 -1.651 204 HA ILE 24 HA ILE 24 -3.937 -5.020 -0.897 205 HB ILE 24 HB ILE 24 -3.576 -3.955 1.349 206 1HG1 ILE 24 2HG1 ILE 24 -1.241 -2.792 1.466 207 2HG1 ILE 24 1HG1 ILE 24 -1.513 -2.476 -0.245 208 1HG2 ILE 24 1HG2 ILE 24 -2.084 -5.553 1.821 209 2HG2 ILE 24 2HG2 ILE 24 -0.891 -4.895 0.701 210 3HG2 ILE 24 3HG2 ILE 24 -2.178 -5.943 0.103 211 1HD1 ILE 24 1HD1 ILE 24 -3.656 -1.765 1.677 212 2HD1 ILE 24 2HD1 ILE 24 -3.200 -0.999 0.160 213 3HD1 ILE 24 3HD1 ILE 24 -2.216 -0.752 1.598 214 H ALA 25 H ALA 25 -3.296 -1.793 -1.859 215 HA ALA 25 HA ALA 25 -5.696 -0.661 -0.806 216 1HB ALA 25 1HB ALA 25 -5.015 1.360 -1.775 217 2HB ALA 25 2HB ALA 25 -4.053 0.545 -3.008 218 3HB ALA 25 3HB ALA 25 -3.503 0.568 -1.332 219 H SER 26 H SER 26 -4.613 -2.170 -3.756 220 HA SER 26 HA SER 26 -6.840 -1.379 -5.363 221 1HB SER 26 2HB SER 26 -4.485 -3.089 -5.655 222 2HB SER 26 1HB SER 26 -5.908 -3.746 -6.463 223 HG SER 26 HG SER 26 -5.544 -1.054 -6.855 224 H THR 27 H THR 27 -6.121 -4.090 -3.253 225 HA THR 27 HA THR 27 -8.397 -5.644 -3.954 226 HB THR 27 HB THR 27 -7.253 -5.866 -1.220 227 HG1 THR 27 1HG THR 27 -5.286 -6.157 -1.850 228 1HG2 THR 27 1HG2 THR 27 -6.981 -8.273 -2.525 229 2HG2 THR 27 2HG2 THR 27 -8.477 -7.606 -3.180 230 3HG2 THR 27 3HG2 THR 27 -8.290 -7.810 -1.438 231 H ALA 28 H ALA 28 -7.692 -3.293 -1.416 232 HA ALA 28 HA ALA 28 -10.040 -3.485 0.060 233 1HB ALA 28 1HB ALA 28 -9.560 -1.267 0.871 234 2HB ALA 28 2HB ALA 28 -8.501 -0.951 -0.503 235 3HB ALA 28 3HB ALA 28 -8.044 -2.152 0.704 236 H ASN 29 H ASN 29 -9.428 -2.113 -3.064 237 HA ASN 29 HA ASN 29 -11.724 -0.459 -3.236 238 1HB ASN 29 2HB ASN 29 -9.541 -1.191 -4.926 239 2HB ASN 29 1HB ASN 29 -11.038 -1.437 -5.821 240 1HD2 ASN 29 1HD2 ASN 29 -9.559 0.939 -3.641 241 2HD2 ASN 29 2HD2 ASN 29 -10.085 2.329 -4.523 242 H ASP 30 H ASP 30 -11.039 -3.687 -4.554 243 HA ASP 30 HA ASP 30 -13.572 -4.238 -5.563 244 1HB ASP 30 2HB ASP 30 -11.208 -5.610 -5.436 245 2HB ASP 30 1HB ASP 30 -12.207 -6.536 -4.319 246 H VAL 31 H VAL 31 -12.270 -4.496 -2.320 247 HA VAL 31 HA VAL 31 -14.278 -5.956 -1.067 248 HB VAL 31 HB VAL 31 -12.694 -3.644 0.069 249 1HG1 VAL 31 1HG1 VAL 31 -13.131 -5.047 2.220 250 2HG1 VAL 31 2HG1 VAL 31 -14.510 -5.663 1.309 251 3HG1 VAL 31 3HG1 VAL 31 -14.365 -3.935 1.629 252 1HG2 VAL 31 1HG2 VAL 31 -12.058 -6.475 -0.462 253 2HG2 VAL 31 2HG2 VAL 31 -11.553 -5.845 1.106 254 3HG2 VAL 31 3HG2 VAL 31 -10.999 -5.068 -0.377 255 H PHE 32 H PHE 32 -14.033 -2.491 -1.707 256 HA PHE 32 HA PHE 32 -16.368 -1.661 -0.415 257 1HB PHE 32 2HB PHE 32 -14.395 -0.471 -2.014 258 2HB PHE 32 1HB PHE 32 -15.910 -0.178 -2.862 259 HD1 PHE 32 1HD PHE 32 -16.827 1.865 -2.427 260 HD2 PHE 32 2HD PHE 32 -14.783 -0.171 0.700 261 HE1 PHE 32 1HE PHE 32 -17.324 3.726 -0.896 262 HE2 PHE 32 2HE PHE 32 -15.277 1.685 2.237 263 HZ PHE 32 HZ PHE 32 -16.550 3.637 1.440 264 H ASN 33 H ASN 33 -15.815 -2.958 -3.633 265 HA ASN 33 HA ASN 33 -18.477 -2.561 -4.569 266 1HB ASN 33 2HB ASN 33 -16.020 -3.858 -5.547 267 2HB ASN 33 1HB ASN 33 -17.514 -4.595 -6.117 268 1HD2 ASN 33 1HD2 ASN 33 -15.342 -2.013 -6.438 269 2HD2 ASN 33 2HD2 ASN 33 -16.218 -1.107 -7.621 270 H PHE 34 H PHE 34 -17.012 -4.827 -2.485 271 HA PHE 34 HA PHE 34 -18.935 -6.939 -2.952 272 1HB PHE 34 2HB PHE 34 -16.641 -6.561 -1.045 273 2HB PHE 34 1HB PHE 34 -17.795 -7.869 -0.812 274 HD1 PHE 34 1HD PHE 34 -16.136 -9.590 -1.112 275 HD2 PHE 34 2HD PHE 34 -16.868 -6.703 -4.152 276 HE1 PHE 34 1HE PHE 34 -14.890 -10.973 -2.719 277 HE2 PHE 34 2HE PHE 34 -15.623 -8.081 -5.766 278 HZ PHE 34 HZ PHE 34 -14.633 -10.220 -5.050 279 H LEU 35 H LEU 35 -18.577 -4.180 -0.909 280 HA LEU 35 HA LEU 35 -20.818 -5.056 0.775 281 1HB LEU 35 2HB LEU 35 -18.816 -4.351 1.980 282 2HB LEU 35 1HB LEU 35 -18.849 -2.803 1.157 283 HG LEU 35 HG LEU 35 -21.050 -2.337 2.246 284 1HD1 LEU 35 1HD1 LEU 35 -22.125 -4.101 3.082 285 2HD1 LEU 35 2HD1 LEU 35 -21.028 -3.971 4.456 286 3HD1 LEU 35 3HD1 LEU 35 -20.659 -5.079 3.135 287 1HD2 LEU 35 1HD2 LEU 35 -19.571 -1.178 3.461 288 2HD2 LEU 35 2HD2 LEU 35 -18.436 -2.525 3.545 289 3HD2 LEU 35 3HD2 LEU 35 -19.796 -2.445 4.666 290 H LYS 36 H LYS 36 -19.640 -2.202 -0.968 291 HA LYS 36 HA LYS 36 -20.792 -0.268 -1.545 292 1HB LYS 36 2HB LYS 36 -22.332 -0.780 -3.425 293 2HB LYS 36 1HB LYS 36 -20.788 -1.613 -3.543 294 1HG LYS 36 2HG LYS 36 -22.193 -3.502 -2.279 295 2HG LYS 36 1HG LYS 36 -23.504 -2.695 -3.137 296 1HD LYS 36 2HD LYS 36 -21.312 -3.012 -4.925 297 2HD LYS 36 1HD LYS 36 -21.620 -4.562 -4.140 298 1HE LYS 36 2HE LYS 36 -23.222 -4.839 -5.671 299 2HE LYS 36 1HE LYS 36 -24.147 -3.665 -4.735 300 1HZ LYS 36 1HZ LYS 36 -22.290 -2.486 -6.597 301 2HZ LYS 36 2HZ LYS 36 -23.917 -2.120 -6.312 302 3HZ LYS 36 3HZ LYS 36 -23.505 -3.402 -7.336 303 HA PRO 37 HA PRO 37 -24.157 -0.360 1.558 304 1HB PRO 37 2HB PRO 37 -24.071 2.387 1.865 305 2HB PRO 37 1HB PRO 37 -23.136 1.235 2.821 306 1HG PRO 37 2HG PRO 37 -22.302 2.866 0.464 307 2HG PRO 37 1HG PRO 37 -21.391 2.461 1.931 308 1HD PRO 37 2HD PRO 37 -20.950 1.210 -0.411 309 2HD PRO 37 1HD PRO 37 -20.815 0.363 1.145 310 H LYS 38 H LYS 38 -25.834 1.854 1.618 311 HA LYS 38 HA LYS 38 -27.336 1.429 -0.823 312 1HB LYS 38 2HB LYS 38 -27.908 2.593 1.861 313 2HB LYS 38 1HB LYS 38 -28.929 3.071 0.512 314 1HG LYS 38 2HG LYS 38 -30.086 1.281 1.358 315 2HG LYS 38 1HG LYS 38 -29.115 0.506 0.104 316 1HD LYS 38 2HD LYS 38 -27.538 0.535 2.436 317 2HD LYS 38 1HD LYS 38 -29.152 0.019 2.930 318 1HE LYS 38 2HE LYS 38 -28.021 -1.194 0.471 319 2HE LYS 38 1HE LYS 38 -27.318 -1.683 2.012 320 1HZ LYS 38 1HZ LYS 38 -30.044 -1.758 2.384 321 2HZ LYS 38 2HZ LYS 38 -29.008 -3.083 2.205 322 3HZ LYS 38 3HZ LYS 38 -29.796 -2.440 0.854 323 H LYS 39 H LYS 39 -24.983 2.834 -1.297 324 HA LYS 39 HA LYS 39 -24.112 4.799 -2.099 325 1HB LYS 39 2HB LYS 39 -26.872 5.062 -3.294 326 2HB LYS 39 1HB LYS 39 -25.366 5.702 -3.940 327 1HG LYS 39 2HG LYS 39 -26.238 2.833 -3.783 328 2HG LYS 39 1HG LYS 39 -25.911 3.797 -5.225 329 1HD LYS 39 2HD LYS 39 -23.571 3.853 -4.740 330 2HD LYS 39 1HD LYS 39 -23.828 3.128 -3.152 331 1HE LYS 39 2HE LYS 39 -23.137 1.301 -4.360 332 2HE LYS 39 1HE LYS 39 -24.887 1.183 -4.544 333 1HZ LYS 39 1HZ LYS 39 -24.614 2.412 -6.679 334 2HZ LYS 39 2HZ LYS 39 -23.915 0.872 -6.668 335 3HZ LYS 39 3HZ LYS 39 -22.939 2.244 -6.512 336 H ARG 40 H ARG 40 -24.582 5.378 0.392 337 HA ARG 40 HA ARG 40 -25.422 8.137 0.322 338 1HB ARG 40 2HB ARG 40 -27.103 7.992 2.035 339 2HB ARG 40 1HB ARG 40 -27.540 6.888 0.739 340 1HG ARG 40 2HG ARG 40 -26.142 5.224 2.333 341 2HG ARG 40 1HG ARG 40 -26.807 6.336 3.531 342 1HD ARG 40 2HD ARG 40 -28.608 5.249 1.421 343 2HD ARG 40 1HD ARG 40 -28.140 4.201 2.759 344 HE ARG 40 HE ARG 40 -29.034 6.678 3.762 345 1HH1 ARG 40 1HH1 ARG 40 -30.219 3.784 2.232 346 2HH1 ARG 40 2HH1 ARG 40 -31.791 3.890 2.951 347 1HH2 ARG 40 1HH2 ARG 40 -31.100 6.827 4.722 348 2HH2 ARG 40 2HH2 ARG 40 -32.292 5.620 4.369 349 H LYS 41 H LYS 41 -23.074 6.335 0.940 350 HA LYS 41 HA LYS 41 -22.437 7.495 3.570 351 1HB LYS 41 2HB LYS 41 -22.349 4.720 2.690 352 2HB LYS 41 1HB LYS 41 -20.798 5.267 3.312 353 1HG LYS 41 2HG LYS 41 -21.694 4.593 5.265 354 2HG LYS 41 1HG LYS 41 -22.385 6.217 5.238 355 1HD LYS 41 2HD LYS 41 -24.451 5.365 4.318 356 2HD LYS 41 1HD LYS 41 -23.763 3.745 4.191 357 1HE LYS 41 2HE LYS 41 -23.985 3.329 6.409 358 2HE LYS 41 1HE LYS 41 -23.687 5.007 6.863 359 1HZ LYS 41 1HZ LYS 41 -25.856 5.336 7.036 360 2HZ LYS 41 2HZ LYS 41 -26.132 3.701 6.702 361 3HZ LYS 41 3HZ LYS 41 -26.115 4.829 5.442 362 H ALA 42 H ALA 42 -21.792 9.119 1.696 363 HA ALA 42 HA ALA 42 -18.949 9.173 1.667 364 1HB ALA 42 1HB ALA 42 -18.501 8.934 -0.661 365 2HB ALA 42 2HB ALA 42 -20.220 8.826 -1.041 366 3HB ALA 42 3HB ALA 42 -19.429 7.522 -0.156 Start of MODEL 13 1 1H ALA 1 1HT ALA 1 30.445 4.405 1.648 2 2H ALA 1 2HT ALA 1 30.061 4.280 -0.020 3 3H ALA 1 3HT ALA 1 31.184 3.192 0.689 4 HA ALA 1 HA ALA 1 29.486 2.278 2.058 5 1HB ALA 1 1HB ALA 1 27.295 3.574 0.594 6 2HB ALA 1 2HB ALA 1 28.191 4.632 1.684 7 3HB ALA 1 3HB ALA 1 27.436 3.163 2.304 8 H LYS 2 H LYS 2 30.846 1.130 0.219 9 HA LYS 2 HA LYS 2 29.047 0.303 -1.949 10 1HB LYS 2 2HB LYS 2 31.143 -0.750 -2.898 11 2HB LYS 2 1HB LYS 2 31.140 1.007 -2.817 12 1HG LYS 2 2HG LYS 2 33.015 0.969 -1.651 13 2HG LYS 2 1HG LYS 2 32.232 0.010 -0.393 14 1HD LYS 2 2HD LYS 2 33.116 -1.939 -1.141 15 2HD LYS 2 1HD LYS 2 33.051 -1.442 -2.834 16 1HE LYS 2 2HE LYS 2 35.021 -0.122 -2.602 17 2HE LYS 2 1HE LYS 2 35.014 -0.313 -0.849 18 1HZ LYS 2 1HZ LYS 2 35.171 -2.829 -1.487 19 2HZ LYS 2 2HZ LYS 2 36.558 -1.862 -1.443 20 3HZ LYS 2 3HZ LYS 2 35.822 -2.219 -2.924 21 H ILE 3 H ILE 3 30.007 -0.673 1.084 22 HA ILE 3 HA ILE 3 30.076 -3.517 0.550 23 HB ILE 3 HB ILE 3 30.029 -2.041 3.186 24 1HG1 ILE 3 2HG1 ILE 3 32.485 -3.372 2.728 25 2HG1 ILE 3 1HG1 ILE 3 32.109 -2.480 1.257 26 1HG2 ILE 3 1HG2 ILE 3 30.659 -4.934 2.621 27 2HG2 ILE 3 2HG2 ILE 3 29.157 -4.339 3.331 28 3HG2 ILE 3 3HG2 ILE 3 30.681 -4.140 4.196 29 1HD1 ILE 3 1HD1 ILE 3 32.037 -0.423 2.421 30 2HD1 ILE 3 2HD1 ILE 3 33.495 -1.262 2.951 31 3HD1 ILE 3 3HD1 ILE 3 32.069 -1.232 3.988 32 HA PRO 4 HA PRO 4 25.796 -3.190 2.670 33 1HB PRO 4 2HB PRO 4 24.728 -0.798 3.179 34 2HB PRO 4 1HB PRO 4 25.962 -1.490 4.240 35 1HG PRO 4 2HG PRO 4 26.236 0.613 2.134 36 2HG PRO 4 1HG PRO 4 26.992 0.524 3.734 37 1HD PRO 4 2HD PRO 4 28.214 -0.198 1.350 38 2HD PRO 4 1HD PRO 4 28.721 -0.741 2.961 39 H ILE 5 H ILE 5 26.699 -2.371 -0.209 40 HA ILE 5 HA ILE 5 24.868 -0.930 -1.591 41 HB ILE 5 HB ILE 5 25.144 -2.896 -3.364 42 1HG1 ILE 5 2HG1 ILE 5 27.702 -3.311 -1.914 43 2HG1 ILE 5 1HG1 ILE 5 26.288 -4.152 -1.289 44 1HG2 ILE 5 1HG2 ILE 5 27.717 -1.601 -3.021 45 2HG2 ILE 5 2HG2 ILE 5 26.369 -0.477 -2.845 46 3HG2 ILE 5 3HG2 ILE 5 26.533 -1.435 -4.317 47 1HD1 ILE 5 1HD1 ILE 5 25.936 -5.076 -3.583 48 2HD1 ILE 5 2HD1 ILE 5 27.407 -5.619 -2.776 49 3HD1 ILE 5 3HD1 ILE 5 27.495 -4.382 -4.030 50 H LYS 6 H LYS 6 24.510 -4.418 -1.919 51 HA LYS 6 HA LYS 6 21.938 -4.601 -2.630 52 1HB LYS 6 2HB LYS 6 21.823 -6.801 -1.533 53 2HB LYS 6 1HB LYS 6 23.352 -6.563 -2.367 54 1HG LYS 6 2HG LYS 6 24.533 -6.294 -0.364 55 2HG LYS 6 1HG LYS 6 23.059 -6.031 0.569 56 1HD LYS 6 2HD LYS 6 23.175 -8.604 -0.839 57 2HD LYS 6 1HD LYS 6 24.399 -8.396 0.414 58 1HE LYS 6 2HE LYS 6 22.896 -8.598 2.054 59 2HE LYS 6 1HE LYS 6 21.769 -7.497 1.264 60 1HZ LYS 6 1HZ LYS 6 22.093 -10.397 0.713 61 2HZ LYS 6 2HZ LYS 6 21.096 -9.362 -0.180 62 3HZ LYS 6 3HZ LYS 6 20.769 -9.647 1.454 63 H ALA 7 H ALA 7 23.081 -3.824 0.577 64 HA ALA 7 HA ALA 7 20.668 -4.162 1.985 65 1HB ALA 7 1HB ALA 7 23.233 -3.490 2.659 66 2HB ALA 7 2HB ALA 7 21.850 -3.469 3.754 67 3HB ALA 7 3HB ALA 7 22.359 -1.986 2.947 68 H ILE 8 H ILE 8 22.131 -1.238 0.591 69 HA ILE 8 HA ILE 8 20.067 0.528 1.230 70 HB ILE 8 HB ILE 8 21.000 2.012 -0.420 71 1HG1 ILE 8 2HG1 ILE 8 23.134 0.409 -1.471 72 2HG1 ILE 8 1HG1 ILE 8 21.598 -0.385 -1.802 73 1HG2 ILE 8 1HG2 ILE 8 22.252 1.871 1.602 74 2HG2 ILE 8 2HG2 ILE 8 23.403 1.946 0.268 75 3HG2 ILE 8 3HG2 ILE 8 23.069 0.405 1.059 76 1HD1 ILE 8 1HD1 ILE 8 22.591 2.270 -2.730 77 2HD1 ILE 8 2HD1 ILE 8 20.860 1.941 -2.652 78 3HD1 ILE 8 3HD1 ILE 8 21.904 0.939 -3.661 79 H LYS 9 H LYS 9 20.281 -1.910 -1.193 80 HA LYS 9 HA LYS 9 18.293 -0.820 -2.943 81 1HB LYS 9 2HB LYS 9 19.895 -3.294 -2.780 82 2HB LYS 9 1HB LYS 9 18.324 -3.464 -3.551 83 1HG LYS 9 2HG LYS 9 19.109 -2.586 -5.421 84 2HG LYS 9 1HG LYS 9 19.605 -1.125 -4.564 85 1HD LYS 9 2HD LYS 9 21.580 -2.754 -3.797 86 2HD LYS 9 1HD LYS 9 21.187 -3.506 -5.344 87 1HE LYS 9 2HE LYS 9 21.402 -0.569 -5.369 88 2HE LYS 9 1HE LYS 9 22.903 -1.438 -5.053 89 1HZ LYS 9 1HZ LYS 9 21.575 -1.063 -7.504 90 2HZ LYS 9 2HZ LYS 9 21.632 -2.720 -7.170 91 3HZ LYS 9 3HZ LYS 9 23.061 -1.817 -7.213 92 H THR 10 H THR 10 18.341 -3.330 -0.452 93 HA THR 10 HA THR 10 15.626 -4.068 -0.714 94 HB THR 10 HB THR 10 17.671 -4.403 1.464 95 HG1 THR 10 1HG THR 10 18.022 -5.998 0.141 96 1HG2 THR 10 1HG2 THR 10 16.214 -5.709 2.778 97 2HG2 THR 10 2HG2 THR 10 14.926 -5.607 1.578 98 3HG2 THR 10 3HG2 THR 10 15.394 -4.173 2.491 99 H VAL 11 H VAL 11 17.201 -1.419 0.836 100 HA VAL 11 HA VAL 11 15.071 -0.787 2.642 101 HB VAL 11 HB VAL 11 17.302 0.987 1.644 102 1HG1 VAL 11 1HG1 VAL 11 15.482 2.281 2.573 103 2HG1 VAL 11 2HG1 VAL 11 16.845 2.286 3.692 104 3HG1 VAL 11 3HG1 VAL 11 15.449 1.256 4.008 105 1HG2 VAL 11 1HG2 VAL 11 18.696 0.020 3.095 106 2HG2 VAL 11 2HG2 VAL 11 17.534 -1.305 3.141 107 3HG2 VAL 11 3HG2 VAL 11 17.473 -0.035 4.364 108 H GLY 12 H GLY 12 16.171 0.481 -0.479 109 1HA GLY 12 2HA GLY 12 14.230 2.488 -0.765 110 2HA GLY 12 1HA GLY 12 15.074 1.697 -2.091 111 H LYS 13 H LYS 13 14.146 -0.952 -1.472 112 HA LYS 13 HA LYS 13 11.590 -0.817 -2.790 113 1HB LYS 13 2HB LYS 13 11.706 -3.300 -2.720 114 2HB LYS 13 1HB LYS 13 13.118 -2.559 -3.458 115 1HG LYS 13 2HG LYS 13 14.157 -4.076 -2.135 116 2HG LYS 13 1HG LYS 13 14.048 -2.741 -0.986 117 1HD LYS 13 2HD LYS 13 13.098 -4.264 0.365 118 2HD LYS 13 1HD LYS 13 11.653 -3.981 -0.609 119 1HE LYS 13 2HE LYS 13 13.461 -5.913 -1.817 120 2HE LYS 13 1HE LYS 13 12.914 -6.407 -0.215 121 1HZ LYS 13 1HZ LYS 13 11.536 -6.826 -2.466 122 2HZ LYS 13 2HZ LYS 13 10.846 -5.369 -1.956 123 3HZ LYS 13 3HZ LYS 13 10.825 -6.716 -0.934 124 H ALA 14 H ALA 14 12.768 -1.254 0.443 125 HA ALA 14 HA ALA 14 10.463 -2.470 1.550 126 1HB ALA 14 1HB ALA 14 11.396 -1.929 3.691 127 2HB ALA 14 2HB ALA 14 12.452 -0.712 2.975 128 3HB ALA 14 3HB ALA 14 12.711 -2.421 2.624 129 H VAL 15 H VAL 15 11.568 0.902 1.495 130 HA VAL 15 HA VAL 15 9.300 1.992 2.754 131 HB VAL 15 HB VAL 15 10.055 4.116 1.454 132 1HG1 VAL 15 1HG1 VAL 15 12.104 4.268 3.005 133 2HG1 VAL 15 2HG1 VAL 15 11.596 2.680 3.581 134 3HG1 VAL 15 3HG1 VAL 15 10.512 4.062 3.734 135 1HG2 VAL 15 1HG2 VAL 15 12.683 2.788 1.190 136 2HG2 VAL 15 2HG2 VAL 15 11.965 4.085 0.235 137 3HG2 VAL 15 3HG2 VAL 15 11.472 2.413 -0.037 138 H GLY 16 H GLY 16 10.075 1.281 -0.598 139 1HA GLY 16 2HA GLY 16 7.915 2.638 -1.800 140 2HA GLY 16 1HA GLY 16 8.793 1.287 -2.502 141 H LYS 17 H LYS 17 8.154 -0.502 -0.267 142 HA LYS 17 HA LYS 17 5.725 -1.558 -1.280 143 1HB LYS 17 2HB LYS 17 7.260 -3.130 -0.425 144 2HB LYS 17 1HB LYS 17 7.464 -2.239 1.077 145 1HG LYS 17 2HG LYS 17 4.726 -3.144 0.576 146 2HG LYS 17 1HG LYS 17 5.908 -4.441 0.767 147 1HD LYS 17 2HD LYS 17 6.641 -3.443 2.888 148 2HD LYS 17 1HD LYS 17 5.434 -2.169 2.697 149 1HE LYS 17 2HE LYS 17 4.152 -3.534 3.942 150 2HE LYS 17 1HE LYS 17 3.890 -4.371 2.412 151 1HZ LYS 17 1HZ LYS 17 4.730 -6.165 3.374 152 2HZ LYS 17 2HZ LYS 17 5.178 -5.303 4.759 153 3HZ LYS 17 3HZ LYS 17 6.235 -5.393 3.441 154 H GLY 18 H GLY 18 6.558 0.038 1.779 155 1HA GLY 18 2HA GLY 18 4.088 -0.093 3.035 156 2HA GLY 18 1HA GLY 18 5.252 1.203 3.270 157 H LEU 19 H LEU 19 5.281 2.389 0.794 158 HA LEU 19 HA LEU 19 2.986 4.021 0.895 159 1HB LEU 19 2HB LEU 19 4.742 5.160 -0.016 160 2HB LEU 19 1HB LEU 19 5.354 3.755 -0.866 161 HG LEU 19 HG LEU 19 3.549 4.015 -2.546 162 1HD1 LEU 19 1HD1 LEU 19 1.913 5.557 -2.420 163 2HD1 LEU 19 2HD1 LEU 19 2.955 6.760 -1.660 164 3HD1 LEU 19 3HD1 LEU 19 2.249 5.466 -0.691 165 1HD2 LEU 19 1HD2 LEU 19 4.916 5.302 -3.750 166 2HD2 LEU 19 2HD2 LEU 19 5.896 5.448 -2.291 167 3HD2 LEU 19 3HD2 LEU 19 4.695 6.682 -2.674 168 H ARG 20 H ARG 20 3.977 1.480 -1.357 169 HA ARG 20 HA ARG 20 1.820 1.622 -3.114 170 1HB ARG 20 2HB ARG 20 3.747 0.316 -3.688 171 2HB ARG 20 1HB ARG 20 3.533 -0.719 -2.282 172 1HG ARG 20 2HG ARG 20 2.841 -1.749 -4.434 173 2HG ARG 20 1HG ARG 20 1.570 -1.700 -3.210 174 1HD ARG 20 2HD ARG 20 0.456 -0.997 -5.112 175 2HD ARG 20 1HD ARG 20 0.901 0.528 -4.346 176 HE ARG 20 HE ARG 20 2.360 0.951 -6.083 177 1HH1 ARG 20 1HH1 ARG 20 1.180 -2.318 -6.274 178 2HH1 ARG 20 2HH1 ARG 20 1.804 -2.590 -7.867 179 1HH2 ARG 20 1HH2 ARG 20 3.190 0.606 -8.182 180 2HH2 ARG 20 2HH2 ARG 20 2.949 -0.927 -8.951 181 H ALA 21 H ALA 21 2.127 0.050 0.009 182 HA ALA 21 HA ALA 21 -0.221 -1.504 -0.147 183 1HB ALA 21 1HB ALA 21 1.678 -1.739 1.526 184 2HB ALA 21 2HB ALA 21 0.043 -1.909 2.165 185 3HB ALA 21 3HB ALA 21 0.932 -0.405 2.405 186 H ILE 22 H ILE 22 0.399 1.775 0.983 187 HA ILE 22 HA ILE 22 -2.211 2.262 1.980 188 HB ILE 22 HB ILE 22 -0.100 4.176 0.971 189 1HG1 ILE 22 2HG1 ILE 22 -0.822 4.216 3.805 190 2HG1 ILE 22 1HG1 ILE 22 -0.179 2.661 3.287 191 1HG2 ILE 22 1HG2 ILE 22 -1.749 5.675 0.868 192 2HG2 ILE 22 2HG2 ILE 22 -1.757 5.608 2.630 193 3HG2 ILE 22 3HG2 ILE 22 -2.883 4.615 1.703 194 1HD1 ILE 22 1HD1 ILE 22 1.815 3.569 3.683 195 2HD1 ILE 22 2HD1 ILE 22 1.168 5.210 3.686 196 3HD1 ILE 22 3HD1 ILE 22 1.578 4.427 2.160 197 H ASN 23 H ASN 23 -0.836 2.063 -1.137 198 HA ASN 23 HA ASN 23 -2.601 3.722 -2.576 199 1HB ASN 23 2HB ASN 23 -1.147 3.205 -4.181 200 2HB ASN 23 1HB ASN 23 -0.402 2.036 -3.122 201 1HD2 ASN 23 1HD2 ASN 23 -0.709 -0.109 -3.493 202 2HD2 ASN 23 2HD2 ASN 23 -1.578 -0.733 -4.850 203 H ILE 24 H ILE 24 -2.492 0.181 -2.427 204 HA ILE 24 HA ILE 24 -4.941 -0.278 -3.647 205 HB ILE 24 HB ILE 24 -4.876 -2.480 -2.832 206 1HG1 ILE 24 2HG1 ILE 24 -4.257 -1.418 -0.375 207 2HG1 ILE 24 1HG1 ILE 24 -4.271 -3.131 -0.758 208 1HG2 ILE 24 1HG2 ILE 24 -1.998 -1.616 -2.934 209 2HG2 ILE 24 2HG2 ILE 24 -3.032 -1.835 -4.345 210 3HG2 ILE 24 3HG2 ILE 24 -2.645 -3.212 -3.314 211 1HD1 ILE 24 1HD1 ILE 24 -1.798 -1.508 -1.150 212 2HD1 ILE 24 2HD1 ILE 24 -1.968 -3.244 -0.893 213 3HD1 ILE 24 3HD1 ILE 24 -2.237 -2.124 0.442 214 H ALA 25 H ALA 25 -4.100 0.776 -0.492 215 HA ALA 25 HA ALA 25 -6.666 0.293 0.666 216 1HB ALA 25 1HB ALA 25 -5.827 1.249 2.632 217 2HB ALA 25 2HB ALA 25 -4.635 2.211 1.757 218 3HB ALA 25 3HB ALA 25 -4.425 0.466 1.903 219 H SER 26 H SER 26 -5.082 2.803 -1.120 220 HA SER 26 HA SER 26 -6.862 4.924 -0.437 221 1HB SER 26 2HB SER 26 -4.591 4.529 -2.208 222 2HB SER 26 1HB SER 26 -5.853 5.487 -2.981 223 HG SER 26 HG SER 26 -5.819 6.816 -1.062 224 H THR 27 H THR 27 -6.694 2.610 -3.116 225 HA THR 27 HA THR 27 -8.857 3.597 -4.600 226 HB THR 27 HB THR 27 -8.323 0.658 -4.477 227 HG1 THR 27 1HG THR 27 -6.470 0.999 -5.771 228 1HG2 THR 27 1HG2 THR 27 -8.527 2.464 -6.865 229 2HG2 THR 27 2HG2 THR 27 -9.917 1.670 -6.124 230 3HG2 THR 27 3HG2 THR 27 -8.616 0.703 -6.819 231 H ALA 28 H ALA 28 -8.698 1.220 -1.991 232 HA ALA 28 HA ALA 28 -11.355 0.376 -2.002 233 1HB ALA 28 1HB ALA 28 -9.149 0.388 -0.050 234 2HB ALA 28 2HB ALA 28 -10.217 -0.923 -0.551 235 3HB ALA 28 3HB ALA 28 -10.771 0.263 0.631 236 H ASN 29 H ASN 29 -9.970 3.383 -1.053 237 HA ASN 29 HA ASN 29 -12.049 4.238 0.695 238 1HB ASN 29 2HB ASN 29 -10.113 5.936 -0.890 239 2HB ASN 29 1HB ASN 29 -11.040 6.444 0.519 240 1HD2 ASN 29 1HD2 ASN 29 -10.603 3.782 1.779 241 2HD2 ASN 29 2HD2 ASN 29 -8.988 3.838 2.387 242 H ASP 30 H ASP 30 -11.232 5.241 -2.622 243 HA ASP 30 HA ASP 30 -13.535 6.732 -3.104 244 1HB ASP 30 2HB ASP 30 -11.304 6.258 -4.529 245 2HB ASP 30 1HB ASP 30 -12.412 5.188 -5.382 246 H VAL 31 H VAL 31 -12.897 3.298 -3.491 247 HA VAL 31 HA VAL 31 -15.356 2.634 -4.741 248 HB VAL 31 HB VAL 31 -13.424 0.940 -3.156 249 1HG1 VAL 31 1HG1 VAL 31 -15.926 0.215 -4.638 250 2HG1 VAL 31 2HG1 VAL 31 -15.414 -0.265 -3.021 251 3HG1 VAL 31 3HG1 VAL 31 -14.611 -0.944 -4.437 252 1HG2 VAL 31 1HG2 VAL 31 -12.340 0.482 -5.098 253 2HG2 VAL 31 2HG2 VAL 31 -12.937 2.091 -5.504 254 3HG2 VAL 31 3HG2 VAL 31 -13.792 0.662 -6.082 255 H PHE 32 H PHE 32 -14.209 2.443 -1.401 256 HA PHE 32 HA PHE 32 -16.532 1.381 -0.259 257 1HB PHE 32 2HB PHE 32 -14.500 1.393 1.015 258 2HB PHE 32 1HB PHE 32 -14.376 3.146 0.907 259 HD1 PHE 32 1HD PHE 32 -14.259 3.555 3.251 260 HD2 PHE 32 2HD PHE 32 -17.514 1.368 1.600 261 HE1 PHE 32 1HE PHE 32 -15.477 3.771 5.377 262 HE2 PHE 32 2HE PHE 32 -18.739 1.580 3.724 263 HZ PHE 32 HZ PHE 32 -17.720 2.784 5.615 264 H ASN 33 H ASN 33 -15.645 4.667 -1.083 265 HA ASN 33 HA ASN 33 -17.802 5.910 0.309 266 1HB ASN 33 2HB ASN 33 -15.692 6.755 -1.591 267 2HB ASN 33 1HB ASN 33 -17.146 7.748 -1.554 268 1HD2 ASN 33 1HD2 ASN 33 -14.175 7.188 -0.165 269 2HD2 ASN 33 2HD2 ASN 33 -14.379 8.104 1.285 270 H PHE 34 H PHE 34 -17.419 4.424 -2.801 271 HA PHE 34 HA PHE 34 -19.711 5.623 -4.021 272 1HB PHE 34 2HB PHE 34 -17.982 3.256 -4.713 273 2HB PHE 34 1HB PHE 34 -19.415 3.658 -5.652 274 HD1 PHE 34 1HD PHE 34 -19.206 6.653 -5.520 275 HD2 PHE 34 2HD PHE 34 -16.294 3.645 -6.281 276 HE1 PHE 34 1HE PHE 34 -17.889 8.265 -6.834 277 HE2 PHE 34 2HE PHE 34 -14.972 5.250 -7.595 278 HZ PHE 34 HZ PHE 34 -15.768 7.564 -7.871 279 H LEU 35 H LEU 35 -19.141 2.801 -2.045 280 HA LEU 35 HA LEU 35 -22.033 2.322 -1.990 281 1HB LEU 35 2HB LEU 35 -20.770 -0.188 -1.695 282 2HB LEU 35 1HB LEU 35 -21.872 0.335 -2.955 283 HG LEU 35 HG LEU 35 -18.960 0.993 -3.150 284 1HD1 LEU 35 1HD1 LEU 35 -20.270 -1.652 -3.565 285 2HD1 LEU 35 2HD1 LEU 35 -18.688 -1.272 -2.884 286 3HD1 LEU 35 3HD1 LEU 35 -18.950 -1.156 -4.624 287 1HD2 LEU 35 1HD2 LEU 35 -19.718 1.932 -5.015 288 2HD2 LEU 35 2HD2 LEU 35 -21.322 1.238 -4.784 289 3HD2 LEU 35 3HD2 LEU 35 -20.071 0.312 -5.613 290 H LYS 36 H LYS 36 -21.912 3.439 0.002 291 HA LYS 36 HA LYS 36 -20.787 1.821 2.193 292 1HB LYS 36 2HB LYS 36 -20.683 3.988 3.479 293 2HB LYS 36 1HB LYS 36 -19.557 3.857 2.136 294 1HG LYS 36 2HG LYS 36 -20.886 5.291 0.779 295 2HG LYS 36 1HG LYS 36 -22.207 5.264 1.948 296 1HD LYS 36 2HD LYS 36 -19.815 6.109 3.260 297 2HD LYS 36 1HD LYS 36 -20.040 7.071 1.799 298 1HE LYS 36 2HE LYS 36 -21.137 7.818 4.046 299 2HE LYS 36 1HE LYS 36 -22.028 7.967 2.531 300 1HZ LYS 36 1HZ LYS 36 -23.393 6.215 3.058 301 2HZ LYS 36 2HZ LYS 36 -23.150 6.897 4.587 302 3HZ LYS 36 3HZ LYS 36 -22.289 5.514 4.132 303 HA PRO 37 HA PRO 37 -25.431 2.339 2.666 304 1HB PRO 37 2HB PRO 37 -26.191 -0.210 2.285 305 2HB PRO 37 1HB PRO 37 -25.942 0.900 0.932 306 1HG PRO 37 2HG PRO 37 -24.117 -1.218 2.003 307 2HG PRO 37 1HG PRO 37 -24.499 -0.818 0.319 308 1HD PRO 37 2HD PRO 37 -22.232 0.021 1.595 309 2HD PRO 37 1HD PRO 37 -22.990 0.908 0.258 310 H LYS 38 H LYS 38 -26.823 1.280 4.308 311 HA LYS 38 HA LYS 38 -25.303 0.740 6.694 312 1HB LYS 38 2HB LYS 38 -27.766 1.882 6.171 313 2HB LYS 38 1HB LYS 38 -28.190 0.327 6.874 314 1HG LYS 38 2HG LYS 38 -27.798 1.133 8.893 315 2HG LYS 38 1HG LYS 38 -26.120 1.451 8.449 316 1HD LYS 38 2HD LYS 38 -26.533 3.658 7.940 317 2HD LYS 38 1HD LYS 38 -28.234 3.364 7.576 318 1HE LYS 38 2HE LYS 38 -28.679 3.030 9.963 319 2HE LYS 38 1HE LYS 38 -26.981 3.342 10.320 320 1HZ LYS 38 1HZ LYS 38 -27.359 5.511 10.292 321 2HZ LYS 38 2HZ LYS 38 -29.014 5.198 10.142 322 3HZ LYS 38 3HZ LYS 38 -28.072 5.440 8.759 323 H LYS 39 H LYS 39 -26.521 -1.133 4.190 324 HA LYS 39 HA LYS 39 -26.901 -3.505 5.862 325 1HB LYS 39 2HB LYS 39 -27.523 -4.519 3.561 326 2HB LYS 39 1HB LYS 39 -28.642 -3.396 4.322 327 1HG LYS 39 2HG LYS 39 -28.186 -1.710 2.816 328 2HG LYS 39 1HG LYS 39 -26.612 -2.381 2.383 329 1HD LYS 39 2HD LYS 39 -28.343 -2.628 0.608 330 2HD LYS 39 1HD LYS 39 -27.642 -4.157 1.142 331 1HE LYS 39 2HE LYS 39 -29.809 -3.777 2.827 332 2HE LYS 39 1HE LYS 39 -30.389 -3.229 1.255 333 1HZ LYS 39 1HZ LYS 39 -29.160 -5.872 1.831 334 2HZ LYS 39 2HZ LYS 39 -29.682 -5.348 0.311 335 3HZ LYS 39 3HZ LYS 39 -30.804 -5.579 1.555 336 H ARG 40 H ARG 40 -24.375 -1.976 4.475 337 HA ARG 40 HA ARG 40 -22.231 -2.595 4.023 338 1HB ARG 40 2HB ARG 40 -23.328 -4.974 5.396 339 2HB ARG 40 1HB ARG 40 -21.901 -5.258 4.409 340 1HG ARG 40 2HG ARG 40 -22.189 -3.425 6.768 341 2HG ARG 40 1HG ARG 40 -21.128 -4.823 6.589 342 1HD ARG 40 2HD ARG 40 -20.330 -3.293 4.498 343 2HD ARG 40 1HD ARG 40 -20.787 -2.053 5.665 344 HE ARG 40 HE ARG 40 -18.498 -3.749 5.777 345 1HH1 ARG 40 1HH1 ARG 40 -20.833 -2.062 7.731 346 2HH1 ARG 40 2HH1 ARG 40 -19.780 -1.919 9.100 347 1HH2 ARG 40 1HH2 ARG 40 -17.102 -3.575 7.576 348 2HH2 ARG 40 2HH2 ARG 40 -17.660 -2.785 9.014 349 H LYS 41 H LYS 41 -20.932 -3.886 2.467 350 HA LYS 41 HA LYS 41 -20.571 -4.784 0.406 351 1HB LYS 41 2HB LYS 41 -23.390 -5.827 0.380 352 2HB LYS 41 1HB LYS 41 -21.957 -6.517 -0.370 353 1HG LYS 41 2HG LYS 41 -22.677 -6.486 2.548 354 2HG LYS 41 1HG LYS 41 -22.505 -7.883 1.484 355 1HD LYS 41 2HD LYS 41 -20.100 -7.328 1.225 356 2HD LYS 41 1HD LYS 41 -20.310 -6.028 2.401 357 1HE LYS 41 2HE LYS 41 -21.325 -8.002 3.846 358 2HE LYS 41 1HE LYS 41 -20.293 -8.974 2.798 359 1HZ LYS 41 1HZ LYS 41 -19.030 -6.628 3.929 360 2HZ LYS 41 2HZ LYS 41 -18.442 -8.206 3.772 361 3HZ LYS 41 3HZ LYS 41 -19.467 -7.811 5.058 362 H ALA 42 H ALA 42 -21.870 -4.955 -1.889 363 HA ALA 42 HA ALA 42 -22.091 -2.373 -2.834 364 1HB ALA 42 1HB ALA 42 -23.795 -4.061 -4.391 365 2HB ALA 42 2HB ALA 42 -22.364 -4.966 -3.898 366 3HB ALA 42 3HB ALA 42 -22.187 -3.445 -4.774 Start of MODEL 14 1 1H ALA 1 1HT ALA 1 -32.709 3.044 -2.732 2 2H ALA 1 2HT ALA 1 -34.099 2.628 -3.648 3 3H ALA 1 3HT ALA 1 -32.599 2.897 -4.436 4 HA ALA 1 HA ALA 1 -33.650 0.542 -3.451 5 1HB ALA 1 1HB ALA 1 -31.111 -0.037 -4.225 6 2HB ALA 1 2HB ALA 1 -31.382 1.502 -5.041 7 3HB ALA 1 3HB ALA 1 -32.478 0.149 -5.323 8 H LYS 2 H LYS 2 -31.876 -1.099 -2.548 9 HA LYS 2 HA LYS 2 -30.784 0.086 -0.082 10 1HB LYS 2 2HB LYS 2 -31.367 -2.706 0.255 11 2HB LYS 2 1HB LYS 2 -31.971 -1.333 1.171 12 1HG LYS 2 2HG LYS 2 -33.940 -2.155 0.404 13 2HG LYS 2 1HG LYS 2 -33.546 -1.085 -0.943 14 1HD LYS 2 2HD LYS 2 -32.951 -2.831 -2.330 15 2HD LYS 2 1HD LYS 2 -32.583 -3.911 -0.983 16 1HE LYS 2 2HE LYS 2 -35.243 -3.440 -0.611 17 2HE LYS 2 1HE LYS 2 -35.118 -3.414 -2.370 18 1HZ LYS 2 1HZ LYS 2 -35.389 -5.639 -0.900 19 2HZ LYS 2 2HZ LYS 2 -33.710 -5.590 -1.091 20 3HZ LYS 2 3HZ LYS 2 -34.715 -5.601 -2.451 21 H ILE 3 H ILE 3 -29.920 -1.170 -2.929 22 HA ILE 3 HA ILE 3 -27.854 -2.989 -2.009 23 HB ILE 3 HB ILE 3 -27.862 -2.053 -4.819 24 1HG1 ILE 3 2HG1 ILE 3 -30.236 -2.151 -4.506 25 2HG1 ILE 3 1HG1 ILE 3 -29.759 -3.625 -5.344 26 1HG2 ILE 3 1HG2 ILE 3 -27.196 -4.231 -5.291 27 2HG2 ILE 3 2HG2 ILE 3 -27.915 -4.874 -3.815 28 3HG2 ILE 3 3HG2 ILE 3 -26.446 -3.902 -3.729 29 1HD1 ILE 3 1HD1 ILE 3 -29.660 -4.575 -2.890 30 2HD1 ILE 3 2HD1 ILE 3 -31.175 -4.485 -3.789 31 3HD1 ILE 3 3HD1 ILE 3 -30.788 -3.253 -2.588 32 HA PRO 4 HA PRO 4 -25.400 0.855 -4.033 33 1HB PRO 4 2HB PRO 4 -27.248 2.856 -2.811 34 2HB PRO 4 1HB PRO 4 -26.332 2.944 -4.321 35 1HG PRO 4 2HG PRO 4 -28.947 2.455 -4.353 36 2HG PRO 4 1HG PRO 4 -27.853 1.625 -5.475 37 1HD PRO 4 2HD PRO 4 -29.190 0.594 -3.018 38 2HD PRO 4 1HD PRO 4 -28.797 -0.248 -4.531 39 H ILE 5 H ILE 5 -27.053 0.614 -0.956 40 HA ILE 5 HA ILE 5 -25.393 2.209 0.617 41 HB ILE 5 HB ILE 5 -27.564 1.104 1.324 42 1HG1 ILE 5 2HG1 ILE 5 -25.948 2.321 2.838 43 2HG1 ILE 5 1HG1 ILE 5 -26.970 1.131 3.640 44 1HG2 ILE 5 1HG2 ILE 5 -25.743 -1.211 1.963 45 2HG2 ILE 5 2HG2 ILE 5 -26.905 -1.183 0.637 46 3HG2 ILE 5 3HG2 ILE 5 -27.469 -1.093 2.306 47 1HD1 ILE 5 1HD1 ILE 5 -25.112 0.314 4.526 48 2HD1 ILE 5 2HD1 ILE 5 -24.094 1.272 3.451 49 3HD1 ILE 5 3HD1 ILE 5 -24.710 -0.293 2.920 50 H LYS 6 H LYS 6 -25.149 -1.263 -0.087 51 HA LYS 6 HA LYS 6 -22.828 -1.753 1.406 52 1HB LYS 6 2HB LYS 6 -23.626 -3.155 -1.150 53 2HB LYS 6 1HB LYS 6 -22.613 -3.794 0.136 54 1HG LYS 6 2HG LYS 6 -24.375 -4.545 1.249 55 2HG LYS 6 1HG LYS 6 -25.175 -2.973 1.164 56 1HD LYS 6 2HD LYS 6 -26.347 -3.520 -0.727 57 2HD LYS 6 1HD LYS 6 -25.116 -4.651 -1.291 58 1HE LYS 6 2HE LYS 6 -26.715 -5.240 1.170 59 2HE LYS 6 1HE LYS 6 -27.379 -5.569 -0.430 60 1HZ LYS 6 1HZ LYS 6 -24.895 -6.647 -0.548 61 2HZ LYS 6 2HZ LYS 6 -26.323 -7.506 -0.256 62 3HZ LYS 6 3HZ LYS 6 -25.366 -6.990 1.041 63 H ALA 7 H ALA 7 -23.317 -0.386 -1.754 64 HA ALA 7 HA ALA 7 -20.705 -0.660 -2.762 65 1HB ALA 7 1HB ALA 7 -21.791 0.091 -4.545 66 2HB ALA 7 2HB ALA 7 -21.777 1.701 -3.825 67 3HB ALA 7 3HB ALA 7 -23.145 0.622 -3.547 68 H ILE 8 H ILE 8 -22.259 1.952 -0.938 69 HA ILE 8 HA ILE 8 -20.103 3.745 -1.002 70 HB ILE 8 HB ILE 8 -22.568 4.083 -0.173 71 1HG1 ILE 8 2HG1 ILE 8 -20.690 5.613 1.525 72 2HG1 ILE 8 1HG1 ILE 8 -20.345 5.618 -0.202 73 1HG2 ILE 8 1HG2 ILE 8 -21.323 3.880 2.531 74 2HG2 ILE 8 2HG2 ILE 8 -22.027 2.446 1.788 75 3HG2 ILE 8 3HG2 ILE 8 -23.025 3.870 2.073 76 1HD1 ILE 8 1HD1 ILE 8 -22.941 6.445 1.076 77 2HD1 ILE 8 2HD1 ILE 8 -22.584 6.465 -0.651 78 3HD1 ILE 8 3HD1 ILE 8 -21.701 7.528 0.446 79 H LYS 9 H LYS 9 -20.886 1.123 1.213 80 HA LYS 9 HA LYS 9 -18.887 1.666 3.128 81 1HB LYS 9 2HB LYS 9 -19.916 -1.090 2.483 82 2HB LYS 9 1HB LYS 9 -19.364 -0.470 4.033 83 1HG LYS 9 2HG LYS 9 -21.490 1.179 3.323 84 2HG LYS 9 1HG LYS 9 -22.001 -0.449 2.876 85 1HD LYS 9 2HD LYS 9 -20.752 -0.651 5.396 86 2HD LYS 9 1HD LYS 9 -21.835 0.740 5.474 87 1HE LYS 9 2HE LYS 9 -23.658 -0.550 5.451 88 2HE LYS 9 1HE LYS 9 -23.036 -1.545 4.136 89 1HZ LYS 9 1HZ LYS 9 -22.208 -3.067 5.559 90 2HZ LYS 9 2HZ LYS 9 -23.401 -2.459 6.592 91 3HZ LYS 9 3HZ LYS 9 -21.802 -1.929 6.744 92 H THR 10 H THR 10 -18.910 -0.259 0.177 93 HA THR 10 HA THR 10 -16.406 -1.487 0.501 94 HB THR 10 HB THR 10 -18.015 -0.783 -1.948 95 HG1 THR 10 1HG THR 10 -18.933 -2.558 -1.355 96 1HG2 THR 10 1HG2 THR 10 -16.178 -2.810 -2.588 97 2HG2 THR 10 2HG2 THR 10 -15.250 -1.474 -1.907 98 3HG2 THR 10 3HG2 THR 10 -16.311 -1.196 -3.288 99 H VAL 11 H VAL 11 -17.348 1.599 -0.931 100 HA VAL 11 HA VAL 11 -14.883 2.339 -2.007 101 HB VAL 11 HB VAL 11 -16.881 4.230 -0.768 102 1HG1 VAL 11 1HG1 VAL 11 -14.481 4.537 -2.445 103 2HG1 VAL 11 2HG1 VAL 11 -15.237 5.669 -1.324 104 3HG1 VAL 11 3HG1 VAL 11 -15.885 5.475 -2.953 105 1HG2 VAL 11 1HG2 VAL 11 -17.172 2.443 -2.989 106 2HG2 VAL 11 2HG2 VAL 11 -17.226 4.113 -3.552 107 3HG2 VAL 11 3HG2 VAL 11 -18.343 3.567 -2.302 108 H GLY 12 H GLY 12 -16.236 2.986 1.215 109 1HA GLY 12 2HA GLY 12 -14.118 4.478 2.246 110 2HA GLY 12 1HA GLY 12 -15.184 3.461 3.210 111 H LYS 13 H LYS 13 -14.531 0.999 1.951 112 HA LYS 13 HA LYS 13 -12.189 0.324 3.432 113 1HB LYS 13 2HB LYS 13 -13.985 -1.197 1.556 114 2HB LYS 13 1HB LYS 13 -12.511 -1.916 2.189 115 1HG LYS 13 2HG LYS 13 -14.611 -0.750 3.985 116 2HG LYS 13 1HG LYS 13 -14.673 -2.420 3.418 117 1HD LYS 13 2HD LYS 13 -12.198 -1.348 4.716 118 2HD LYS 13 1HD LYS 13 -13.558 -1.894 5.699 119 1HE LYS 13 2HE LYS 13 -12.096 -3.745 5.482 120 2HE LYS 13 1HE LYS 13 -13.466 -4.059 4.417 121 1HZ LYS 13 1HZ LYS 13 -11.167 -2.694 3.253 122 2HZ LYS 13 2HZ LYS 13 -12.199 -3.847 2.571 123 3HZ LYS 13 3HZ LYS 13 -10.972 -4.332 3.628 124 H ALA 14 H ALA 14 -12.915 1.009 0.071 125 HA ALA 14 HA ALA 14 -10.651 0.018 -1.180 126 1HB ALA 14 1HB ALA 14 -12.742 1.250 -2.139 127 2HB ALA 14 2HB ALA 14 -11.200 1.345 -2.989 128 3HB ALA 14 3HB ALA 14 -11.732 2.686 -1.975 129 H VAL 15 H VAL 15 -11.131 3.297 0.104 130 HA VAL 15 HA VAL 15 -8.514 4.206 -0.265 131 HB VAL 15 HB VAL 15 -10.249 5.050 2.050 132 1HG1 VAL 15 1HG1 VAL 15 -9.196 7.282 1.448 133 2HG1 VAL 15 2HG1 VAL 15 -8.097 6.367 0.416 134 3HG1 VAL 15 3HG1 VAL 15 -8.129 6.068 2.154 135 1HG2 VAL 15 1HG2 VAL 15 -11.727 5.080 0.183 136 2HG2 VAL 15 2HG2 VAL 15 -10.501 5.805 -0.855 137 3HG2 VAL 15 3HG2 VAL 15 -11.207 6.742 0.461 138 H GLY 16 H GLY 16 -10.013 2.376 2.330 139 1HA GLY 16 2HA GLY 16 -7.952 2.543 4.229 140 2HA GLY 16 1HA GLY 16 -9.118 1.232 4.108 141 H LYS 17 H LYS 17 -8.455 0.274 1.556 142 HA LYS 17 HA LYS 17 -6.153 -1.298 2.217 143 1HB LYS 17 2HB LYS 17 -7.826 -1.170 -0.299 144 2HB LYS 17 1HB LYS 17 -6.548 -2.344 -0.015 145 1HG LYS 17 2HG LYS 17 -9.026 -2.040 1.671 146 2HG LYS 17 1HG LYS 17 -8.787 -3.254 0.413 147 1HD LYS 17 2HD LYS 17 -7.979 -4.560 2.037 148 2HD LYS 17 1HD LYS 17 -6.544 -3.535 1.987 149 1HE LYS 17 2HE LYS 17 -8.311 -2.119 3.574 150 2HE LYS 17 1HE LYS 17 -8.581 -3.797 4.045 151 1HZ LYS 17 1HZ LYS 17 -6.677 -2.296 5.096 152 2HZ LYS 17 2HZ LYS 17 -5.808 -2.944 3.798 153 3HZ LYS 17 3HZ LYS 17 -6.527 -3.973 4.930 154 H GLY 18 H GLY 18 -6.774 1.555 0.363 155 1HA GLY 18 2HA GLY 18 -4.584 1.530 -1.387 156 2HA GLY 18 1HA GLY 18 -5.381 2.976 -0.784 157 H LEU 19 H LEU 19 -4.857 3.053 1.829 158 HA LEU 19 HA LEU 19 -2.168 3.889 1.946 159 1HB LEU 19 2HB LEU 19 -2.563 4.162 4.361 160 2HB LEU 19 1HB LEU 19 -3.827 4.884 3.383 161 HG LEU 19 HG LEU 19 -4.884 2.419 3.844 162 1HD1 LEU 19 1HD1 LEU 19 -4.358 2.712 6.573 163 2HD1 LEU 19 2HD1 LEU 19 -2.786 2.786 5.777 164 3HD1 LEU 19 3HD1 LEU 19 -3.842 1.398 5.517 165 1HD2 LEU 19 1HD2 LEU 19 -6.023 4.564 4.087 166 2HD2 LEU 19 2HD2 LEU 19 -5.142 4.871 5.584 167 3HD2 LEU 19 3HD2 LEU 19 -6.297 3.541 5.498 168 H ARG 20 H ARG 20 -3.804 1.058 3.337 169 HA ARG 20 HA ARG 20 -1.663 -0.112 4.612 170 1HB ARG 20 2HB ARG 20 -3.785 -1.113 4.899 171 2HB ARG 20 1HB ARG 20 -4.035 -1.298 3.178 172 1HG ARG 20 2HG ARG 20 -2.004 -2.827 4.796 173 2HG ARG 20 1HG ARG 20 -3.602 -3.422 4.363 174 1HD ARG 20 2HD ARG 20 -1.204 -2.987 2.635 175 2HD ARG 20 1HD ARG 20 -2.275 -4.375 2.736 176 HE ARG 20 HE ARG 20 -3.447 -1.942 1.667 177 1HH1 ARG 20 1HH1 ARG 20 -1.941 -5.014 1.011 178 2HH1 ARG 20 2HH1 ARG 20 -2.544 -5.107 -0.609 179 1HH2 ARG 20 1HH2 ARG 20 -4.239 -2.054 -0.464 180 2HH2 ARG 20 2HH2 ARG 20 -3.849 -3.424 -1.448 181 H ALA 21 H ALA 21 -2.617 -0.322 1.213 182 HA ALA 21 HA ALA 21 -0.634 -2.074 0.342 183 1HB ALA 21 1HB ALA 21 -1.004 -0.297 -1.768 184 2HB ALA 21 2HB ALA 21 -2.531 -0.269 -0.887 185 3HB ALA 21 3HB ALA 21 -1.886 -1.798 -1.484 186 H ILE 22 H ILE 22 -0.568 1.342 1.036 187 HA ILE 22 HA ILE 22 2.003 1.826 -0.113 188 HB ILE 22 HB ILE 22 0.241 3.367 1.776 189 1HG1 ILE 22 2HG1 ILE 22 1.435 4.431 -0.744 190 2HG1 ILE 22 1HG1 ILE 22 0.144 3.241 -0.869 191 1HG2 ILE 22 1HG2 ILE 22 2.360 3.849 2.689 192 2HG2 ILE 22 2HG2 ILE 22 1.980 5.202 1.624 193 3HG2 ILE 22 3HG2 ILE 22 3.108 3.954 1.096 194 1HD1 ILE 22 1HD1 ILE 22 0.063 6.041 0.088 195 2HD1 ILE 22 2HD1 ILE 22 -1.032 4.879 0.839 196 3HD1 ILE 22 3HD1 ILE 22 -1.087 5.144 -0.904 197 H ASN 23 H ASN 23 0.919 0.166 2.614 198 HA ASN 23 HA ASN 23 3.168 0.737 4.317 199 1HB ASN 23 2HB ASN 23 1.985 -0.326 5.898 200 2HB ASN 23 1HB ASN 23 0.670 -0.239 4.750 201 1HD2 ASN 23 1HD2 ASN 23 -0.370 -2.059 4.488 202 2HD2 ASN 23 2HD2 ASN 23 0.276 -3.650 4.675 203 H ILE 24 H ILE 24 2.066 -2.209 2.677 204 HA ILE 24 HA ILE 24 4.450 -3.635 3.085 205 HB ILE 24 HB ILE 24 3.608 -5.292 1.706 206 1HG1 ILE 24 2HG1 ILE 24 3.383 -3.632 -0.290 207 2HG1 ILE 24 1HG1 ILE 24 2.353 -5.054 -0.247 208 1HG2 ILE 24 1HG2 ILE 24 2.071 -4.561 3.602 209 2HG2 ILE 24 2HG2 ILE 24 1.398 -5.629 2.371 210 3HG2 ILE 24 3HG2 ILE 24 1.030 -3.905 2.339 211 1HD1 ILE 24 1HD1 ILE 24 0.467 -3.844 0.191 212 2HD1 ILE 24 2HD1 ILE 24 1.372 -2.713 -0.815 213 3HD1 ILE 24 3HD1 ILE 24 1.357 -2.518 0.938 214 H ALA 25 H ALA 25 3.521 -1.169 0.912 215 HA ALA 25 HA ALA 25 5.711 -1.644 -0.908 216 1HB ALA 25 1HB ALA 25 4.414 0.931 -1.197 217 2HB ALA 25 2HB ALA 25 3.252 -0.395 -1.171 218 3HB ALA 25 3HB ALA 25 4.560 -0.393 -2.353 219 H SER 26 H SER 26 4.965 0.204 1.921 220 HA SER 26 HA SER 26 7.087 2.122 1.584 221 1HB SER 26 2HB SER 26 5.064 1.493 3.659 222 2HB SER 26 1HB SER 26 6.562 2.219 4.242 223 HG SER 26 HG SER 26 5.321 3.355 2.010 224 H THR 27 H THR 27 6.652 -0.954 3.215 225 HA THR 27 HA THR 27 9.177 -0.917 4.555 226 HB THR 27 HB THR 27 7.085 -3.004 4.021 227 HG1 THR 27 1HG THR 27 8.217 -2.375 6.503 228 1HG2 THR 27 1HG2 THR 27 9.000 -4.354 3.816 229 2HG2 THR 27 2HG2 THR 27 8.441 -4.543 5.478 230 3HG2 THR 27 3HG2 THR 27 9.827 -3.511 5.125 231 H ALA 28 H ALA 28 7.950 -2.117 1.496 232 HA ALA 28 HA ALA 28 10.138 -3.680 0.715 233 1HB ALA 28 1HB ALA 28 9.101 -2.525 -1.615 234 2HB ALA 28 2HB ALA 28 7.744 -2.646 -0.496 235 3HB ALA 28 3HB ALA 28 8.676 -4.085 -0.910 236 H ASN 29 H ASN 29 9.566 -0.212 0.536 237 HA ASN 29 HA ASN 29 11.748 0.385 -1.168 238 1HB ASN 29 2HB ASN 29 11.133 2.569 -0.924 239 2HB ASN 29 1HB ASN 29 9.670 1.838 -0.279 240 1HD2 ASN 29 1HD2 ASN 29 8.983 2.921 1.409 241 2HD2 ASN 29 2HD2 ASN 29 9.962 3.588 2.666 242 H ASP 30 H ASP 30 11.389 0.409 2.353 243 HA ASP 30 HA ASP 30 14.044 1.198 2.921 244 1HB ASP 30 2HB ASP 30 11.749 0.738 4.411 245 2HB ASP 30 1HB ASP 30 12.839 -0.541 4.937 246 H VAL 31 H VAL 31 12.490 -1.898 2.385 247 HA VAL 31 HA VAL 31 14.520 -3.609 3.247 248 HB VAL 31 HB VAL 31 12.650 -4.045 0.914 249 1HG1 VAL 31 1HG1 VAL 31 13.777 -6.197 2.658 250 2HG1 VAL 31 2HG1 VAL 31 14.712 -5.569 1.301 251 3HG1 VAL 31 3HG1 VAL 31 13.135 -6.306 1.019 252 1HG2 VAL 31 1HG2 VAL 31 10.970 -4.278 2.348 253 2HG2 VAL 31 2HG2 VAL 31 12.027 -3.663 3.618 254 3HG2 VAL 31 3HG2 VAL 31 11.905 -5.400 3.336 255 H PHE 32 H PHE 32 14.009 -1.989 0.151 256 HA PHE 32 HA PHE 32 16.147 -3.210 -1.221 257 1HB PHE 32 2HB PHE 32 14.161 -1.515 -1.968 258 2HB PHE 32 1HB PHE 32 15.534 -0.412 -1.941 259 HD1 PHE 32 1HD PHE 32 16.110 -0.007 -4.140 260 HD2 PHE 32 2HD PHE 32 15.321 -4.000 -2.898 261 HE1 PHE 32 1HE PHE 32 16.802 -0.828 -6.354 262 HE2 PHE 32 2HE PHE 32 16.014 -4.829 -5.108 263 HZ PHE 32 HZ PHE 32 16.756 -3.243 -6.840 264 H ASN 33 H ASN 33 15.930 -0.267 0.724 265 HA ASN 33 HA ASN 33 18.465 0.768 0.279 266 1HB ASN 33 2HB ASN 33 16.498 0.924 2.503 267 2HB ASN 33 1HB ASN 33 18.152 1.402 2.875 268 1HD2 ASN 33 1HD2 ASN 33 15.537 2.879 2.539 269 2HD2 ASN 33 2HD2 ASN 33 15.921 4.172 1.461 270 H PHE 34 H PHE 34 17.431 -1.945 2.212 271 HA PHE 34 HA PHE 34 19.916 -2.291 3.592 272 1HB PHE 34 2HB PHE 34 17.847 -3.182 4.535 273 2HB PHE 34 1HB PHE 34 17.623 -4.213 3.125 274 HD1 PHE 34 1HD PHE 34 20.076 -3.534 5.843 275 HD2 PHE 34 2HD PHE 34 18.363 -6.394 3.198 276 HE1 PHE 34 1HE PHE 34 21.355 -5.320 6.952 277 HE2 PHE 34 2HE PHE 34 19.637 -8.186 4.304 278 HZ PHE 34 HZ PHE 34 21.136 -7.649 6.183 279 H LEU 35 H LEU 35 18.507 -3.442 0.601 280 HA LEU 35 HA LEU 35 20.723 -5.260 0.101 281 1HB LEU 35 2HB LEU 35 18.765 -6.211 -0.665 282 2HB LEU 35 1HB LEU 35 18.110 -4.681 -1.215 283 HG LEU 35 HG LEU 35 20.477 -5.860 -2.616 284 1HD1 LEU 35 1HD1 LEU 35 17.875 -7.084 -2.422 285 2HD1 LEU 35 2HD1 LEU 35 19.334 -7.666 -3.222 286 3HD1 LEU 35 3HD1 LEU 35 18.224 -6.598 -4.080 287 1HD2 LEU 35 1HD2 LEU 35 20.154 -4.075 -3.892 288 2HD2 LEU 35 2HD2 LEU 35 18.726 -3.629 -2.959 289 3HD2 LEU 35 3HD2 LEU 35 18.572 -4.710 -4.343 290 H LYS 36 H LYS 36 19.736 -2.054 -0.664 291 HA LYS 36 HA LYS 36 20.481 -0.489 -2.151 292 1HB LYS 36 2HB LYS 36 23.049 -0.311 -2.038 293 2HB LYS 36 1HB LYS 36 22.128 -0.113 -0.554 294 1HG LYS 36 2HG LYS 36 23.306 -2.750 -1.356 295 2HG LYS 36 1HG LYS 36 24.218 -1.545 -0.448 296 1HD LYS 36 2HD LYS 36 21.657 -1.866 0.765 297 2HD LYS 36 1HD LYS 36 22.381 -3.459 0.534 298 1HE LYS 36 2HE LYS 36 23.751 -1.117 1.849 299 2HE LYS 36 1HE LYS 36 22.944 -2.424 2.715 300 1HZ LYS 36 1HZ LYS 36 25.357 -2.740 2.543 301 2HZ LYS 36 2HZ LYS 36 25.233 -2.788 0.857 302 3HZ LYS 36 3HZ LYS 36 24.499 -3.990 1.792 303 HA PRO 37 HA PRO 37 20.815 -3.004 -5.919 304 1HB PRO 37 2HB PRO 37 20.346 -0.782 -7.520 305 2HB PRO 37 1HB PRO 37 19.102 -1.871 -6.899 306 1HG PRO 37 2HG PRO 37 19.999 0.779 -5.852 307 2HG PRO 37 1HG PRO 37 18.363 0.103 -5.942 308 1HD PRO 37 2HD PRO 37 19.709 0.170 -3.635 309 2HD PRO 37 1HD PRO 37 18.670 -1.212 -4.045 310 H LYS 38 H LYS 38 21.854 0.357 -6.346 311 HA LYS 38 HA LYS 38 24.281 -0.515 -7.648 312 1HB LYS 38 2HB LYS 38 24.607 1.739 -8.257 313 2HB LYS 38 1HB LYS 38 22.866 1.500 -8.330 314 1HG LYS 38 2HG LYS 38 22.837 2.431 -5.941 315 2HG LYS 38 1HG LYS 38 24.472 2.994 -6.294 316 1HD LYS 38 2HD LYS 38 22.767 3.667 -8.482 317 2HD LYS 38 1HD LYS 38 22.013 4.210 -6.982 318 1HE LYS 38 2HE LYS 38 24.802 4.815 -6.898 319 2HE LYS 38 1HE LYS 38 24.132 5.412 -8.416 320 1HZ LYS 38 1HZ LYS 38 23.141 7.062 -7.346 321 2HZ LYS 38 2HZ LYS 38 23.943 6.596 -5.932 322 3HZ LYS 38 3HZ LYS 38 22.393 6.004 -6.258 323 H LYS 39 H LYS 39 26.166 1.298 -6.914 324 HA LYS 39 HA LYS 39 26.942 0.289 -4.320 325 1HB LYS 39 2HB LYS 39 28.495 2.308 -5.911 326 2HB LYS 39 1HB LYS 39 29.094 1.084 -4.800 327 1HG LYS 39 2HG LYS 39 28.380 -0.656 -6.423 328 2HG LYS 39 1HG LYS 39 27.962 0.635 -7.551 329 1HD LYS 39 2HD LYS 39 30.677 0.703 -6.369 330 2HD LYS 39 1HD LYS 39 30.346 -0.569 -7.546 331 1HE LYS 39 2HE LYS 39 29.813 2.359 -8.024 332 2HE LYS 39 1HE LYS 39 31.288 1.530 -8.522 333 1HZ LYS 39 1HZ LYS 39 28.542 0.816 -9.404 334 2HZ LYS 39 2HZ LYS 39 29.974 0.071 -9.911 335 3HZ LYS 39 3HZ LYS 39 29.670 1.683 -10.321 336 H ARG 40 H ARG 40 24.721 1.834 -3.975 337 HA ARG 40 HA ARG 40 25.314 4.554 -3.383 338 1HB ARG 40 2HB ARG 40 23.014 2.781 -3.224 339 2HB ARG 40 1HB ARG 40 23.111 3.849 -1.830 340 1HG ARG 40 2HG ARG 40 23.493 5.082 -4.492 341 2HG ARG 40 1HG ARG 40 21.870 4.522 -4.083 342 1HD ARG 40 2HD ARG 40 23.147 5.990 -1.915 343 2HD ARG 40 1HD ARG 40 22.977 6.949 -3.385 344 HE ARG 40 HE ARG 40 20.530 5.861 -3.107 345 1HH1 ARG 40 1HH1 ARG 40 22.606 7.586 -0.906 346 2HH1 ARG 40 2HH1 ARG 40 21.296 8.266 0.000 347 1HH2 ARG 40 1HH2 ARG 40 18.798 6.750 -1.922 348 2HH2 ARG 40 2HH2 ARG 40 19.131 7.792 -0.579 349 H LYS 41 H LYS 41 26.431 5.324 -1.728 350 HA LYS 41 HA LYS 41 27.053 3.591 0.523 351 1HB LYS 41 2HB LYS 41 28.040 6.383 -0.085 352 2HB LYS 41 1HB LYS 41 28.687 5.292 1.134 353 1HG LYS 41 2HG LYS 41 29.349 3.730 -0.648 354 2HG LYS 41 1HG LYS 41 28.752 4.877 -1.849 355 1HD LYS 41 2HD LYS 41 30.439 6.413 -1.402 356 2HD LYS 41 1HD LYS 41 30.779 5.723 0.187 357 1HE LYS 41 2HE LYS 41 32.579 5.106 -1.233 358 2HE LYS 41 1HE LYS 41 31.595 3.663 -0.995 359 1HZ LYS 41 1HZ LYS 41 30.467 4.433 -3.171 360 2HZ LYS 41 2HZ LYS 41 31.965 3.651 -3.252 361 3HZ LYS 41 3HZ LYS 41 31.881 5.334 -3.401 362 H ALA 42 H ALA 42 25.559 3.517 2.077 363 HA ALA 42 HA ALA 42 24.024 5.904 2.749 364 1HB ALA 42 1HB ALA 42 23.625 3.364 4.227 365 2HB ALA 42 2HB ALA 42 23.191 3.391 2.518 366 3HB ALA 42 3HB ALA 42 22.443 4.531 3.637 Start of MODEL 15 1 1H ALA 1 1HT ALA 1 -28.196 7.512 -5.472 2 2H ALA 1 2HT ALA 1 -28.240 6.498 -6.856 3 3H ALA 1 3HT ALA 1 -26.734 6.992 -6.199 4 HA ALA 1 HA ALA 1 -27.940 4.681 -5.715 5 1HB ALA 1 1HB ALA 1 -26.377 5.496 -3.440 6 2HB ALA 1 2HB ALA 1 -25.643 6.061 -4.941 7 3HB ALA 1 3HB ALA 1 -25.985 4.345 -4.719 8 H LYS 2 H LYS 2 -29.861 4.230 -4.852 9 HA LYS 2 HA LYS 2 -31.451 5.768 -3.256 10 1HB LYS 2 2HB LYS 2 -31.176 2.775 -3.419 11 2HB LYS 2 1HB LYS 2 -32.393 3.538 -2.405 12 1HG LYS 2 2HG LYS 2 -33.728 3.896 -4.140 13 2HG LYS 2 1HG LYS 2 -32.425 4.636 -5.072 14 1HD LYS 2 2HD LYS 2 -31.748 1.986 -5.131 15 2HD LYS 2 1HD LYS 2 -33.510 1.920 -5.181 16 1HE LYS 2 2HE LYS 2 -32.145 3.873 -6.953 17 2HE LYS 2 1HE LYS 2 -32.035 2.165 -7.378 18 1HZ LYS 2 1HZ LYS 2 -34.519 3.748 -7.010 19 2HZ LYS 2 2HZ LYS 2 -34.487 2.075 -7.252 20 3HZ LYS 2 3HZ LYS 2 -33.924 3.114 -8.461 21 H ILE 3 H ILE 3 -30.329 2.882 -1.626 22 HA ILE 3 HA ILE 3 -29.086 4.511 0.467 23 HB ILE 3 HB ILE 3 -30.374 2.485 1.874 24 1HG1 ILE 3 2HG1 ILE 3 -32.816 3.158 1.253 25 2HG1 ILE 3 1HG1 ILE 3 -32.123 3.589 -0.306 26 1HG2 ILE 3 1HG2 ILE 3 -30.291 5.361 1.756 27 2HG2 ILE 3 2HG2 ILE 3 -30.487 4.298 3.149 28 3HG2 ILE 3 3HG2 ILE 3 -31.897 4.793 2.212 29 1HD1 ILE 3 1HD1 ILE 3 -32.629 0.954 0.880 30 2HD1 ILE 3 2HD1 ILE 3 -31.102 1.117 0.013 31 3HD1 ILE 3 3HD1 ILE 3 -32.624 1.463 -0.808 32 HA PRO 4 HA PRO 4 -26.994 0.332 -0.291 33 1HB PRO 4 2HB PRO 4 -25.362 0.718 -2.353 34 2HB PRO 4 1HB PRO 4 -27.078 0.378 -2.621 35 1HG PRO 4 2HG PRO 4 -25.631 2.997 -2.707 36 2HG PRO 4 1HG PRO 4 -26.878 2.372 -3.801 37 1HD PRO 4 2HD PRO 4 -27.346 4.131 -1.714 38 2HD PRO 4 1HD PRO 4 -28.568 3.081 -2.456 39 H ILE 5 H ILE 5 -26.389 3.026 1.089 40 HA ILE 5 HA ILE 5 -23.825 3.850 1.009 41 HB ILE 5 HB ILE 5 -25.577 4.632 2.628 42 1HG1 ILE 5 2HG1 ILE 5 -23.096 5.227 2.683 43 2HG1 ILE 5 1HG1 ILE 5 -23.995 5.475 4.178 44 1HG2 ILE 5 1HG2 ILE 5 -25.953 3.544 4.665 45 2HG2 ILE 5 2HG2 ILE 5 -24.553 2.491 4.463 46 3HG2 ILE 5 3HG2 ILE 5 -25.987 2.254 3.463 47 1HD1 ILE 5 1HD1 ILE 5 -22.228 4.422 5.074 48 2HD1 ILE 5 2HD1 ILE 5 -21.808 3.609 3.567 49 3HD1 ILE 5 3HD1 ILE 5 -23.105 2.975 4.580 50 H LYS 6 H LYS 6 -24.941 0.914 2.644 51 HA LYS 6 HA LYS 6 -22.406 0.193 3.673 52 1HB LYS 6 2HB LYS 6 -24.860 -1.472 3.099 53 2HB LYS 6 1HB LYS 6 -23.435 -2.082 3.929 54 1HG LYS 6 2HG LYS 6 -25.373 0.012 4.855 55 2HG LYS 6 1HG LYS 6 -24.970 -1.529 5.615 56 1HD LYS 6 2HD LYS 6 -22.583 -0.560 5.788 57 2HD LYS 6 1HD LYS 6 -23.361 0.998 5.499 58 1HE LYS 6 2HE LYS 6 -24.572 0.900 7.483 59 2HE LYS 6 1HE LYS 6 -24.383 -0.847 7.624 60 1HZ LYS 6 1HZ LYS 6 -22.388 -0.639 8.610 61 2HZ LYS 6 2HZ LYS 6 -22.945 0.906 9.012 62 3HZ LYS 6 3HZ LYS 6 -21.925 0.697 7.679 63 H ALA 7 H ALA 7 -23.937 -0.258 0.580 64 HA ALA 7 HA ALA 7 -22.161 -2.312 -0.328 65 1HB ALA 7 1HB ALA 7 -24.372 -2.097 -1.303 66 2HB ALA 7 2HB ALA 7 -23.137 -1.880 -2.543 67 3HB ALA 7 3HB ALA 7 -23.980 -0.478 -1.884 68 H ILE 8 H ILE 8 -22.376 1.193 -0.793 69 HA ILE 8 HA ILE 8 -20.157 1.390 -2.529 70 HB ILE 8 HB ILE 8 -20.193 3.795 -1.969 71 1HG1 ILE 8 2HG1 ILE 8 -22.328 2.943 -0.010 72 2HG1 ILE 8 1HG1 ILE 8 -20.782 3.692 0.377 73 1HG2 ILE 8 1HG2 ILE 8 -21.709 3.847 -3.587 74 2HG2 ILE 8 2HG2 ILE 8 -22.973 3.674 -2.369 75 3HG2 ILE 8 3HG2 ILE 8 -22.287 2.243 -3.137 76 1HD1 ILE 8 1HD1 ILE 8 -22.658 5.258 0.530 77 2HD1 ILE 8 2HD1 ILE 8 -22.999 4.998 -1.181 78 3HD1 ILE 8 3HD1 ILE 8 -21.479 5.745 -0.688 79 H LYS 9 H LYS 9 -20.435 0.964 0.864 80 HA LYS 9 HA LYS 9 -17.875 2.078 1.542 81 1HB LYS 9 2HB LYS 9 -19.281 2.134 3.370 82 2HB LYS 9 1HB LYS 9 -20.011 0.581 2.990 83 1HG LYS 9 2HG LYS 9 -17.158 0.534 3.741 84 2HG LYS 9 1HG LYS 9 -18.304 0.956 5.015 85 1HD LYS 9 2HD LYS 9 -18.821 -1.419 3.273 86 2HD LYS 9 1HD LYS 9 -17.669 -1.542 4.605 87 1HE LYS 9 2HE LYS 9 -19.470 -0.652 6.110 88 2HE LYS 9 1HE LYS 9 -20.590 -0.822 4.759 89 1HZ LYS 9 1HZ LYS 9 -20.848 -2.786 5.925 90 2HZ LYS 9 2HZ LYS 9 -19.201 -2.930 6.282 91 3HZ LYS 9 3HZ LYS 9 -19.756 -3.233 4.713 92 H THR 10 H THR 10 -19.186 -1.198 1.183 93 HA THR 10 HA THR 10 -16.737 -2.526 1.701 94 HB THR 10 HB THR 10 -19.239 -3.408 0.255 95 HG1 THR 10 1HG THR 10 -18.264 -3.596 2.870 96 1HG2 THR 10 1HG2 THR 10 -17.711 -5.593 1.273 97 2HG2 THR 10 2HG2 THR 10 -16.743 -4.673 0.122 98 3HG2 THR 10 3HG2 THR 10 -18.313 -5.314 -0.361 99 H VAL 11 H VAL 11 -18.242 -1.223 -1.179 100 HA VAL 11 HA VAL 11 -16.437 -2.412 -3.037 101 HB VAL 11 HB VAL 11 -18.218 0.010 -3.322 102 1HG1 VAL 11 1HG1 VAL 11 -16.230 -0.131 -4.894 103 2HG1 VAL 11 2HG1 VAL 11 -17.822 -0.031 -5.646 104 3HG1 VAL 11 3HG1 VAL 11 -16.985 -1.581 -5.556 105 1HG2 VAL 11 1HG2 VAL 11 -18.817 -2.729 -3.161 106 2HG2 VAL 11 2HG2 VAL 11 -18.992 -2.280 -4.858 107 3HG2 VAL 11 3HG2 VAL 11 -19.897 -1.412 -3.618 108 H GLY 12 H GLY 12 -16.663 0.775 -1.504 109 1HA GLY 12 2HA GLY 12 -14.406 1.902 -2.779 110 2HA GLY 12 1HA GLY 12 -15.105 2.450 -1.258 111 H LYS 13 H LYS 13 -14.763 -0.336 -0.188 112 HA LYS 13 HA LYS 13 -12.120 0.062 0.894 113 1HB LYS 13 2HB LYS 13 -14.413 -1.770 1.446 114 2HB LYS 13 1HB LYS 13 -12.814 -2.254 1.991 115 1HG LYS 13 2HG LYS 13 -14.540 -0.777 3.444 116 2HG LYS 13 1HG LYS 13 -12.790 -0.756 3.658 117 1HD LYS 13 2HD LYS 13 -13.958 1.087 1.642 118 2HD LYS 13 1HD LYS 13 -14.211 1.469 3.346 119 1HE LYS 13 2HE LYS 13 -12.052 2.012 3.676 120 2HE LYS 13 1HE LYS 13 -11.462 0.710 2.643 121 1HZ LYS 13 1HZ LYS 13 -10.949 2.374 1.260 122 2HZ LYS 13 2HZ LYS 13 -12.001 3.472 1.999 123 3HZ LYS 13 3HZ LYS 13 -12.593 2.370 0.860 124 H ALA 14 H ALA 14 -13.696 -2.043 -1.417 125 HA ALA 14 HA ALA 14 -11.663 -3.996 -1.603 126 1HB ALA 14 1HB ALA 14 -12.716 -4.290 -3.966 127 2HB ALA 14 2HB ALA 14 -13.925 -3.158 -3.362 128 3HB ALA 14 3HB ALA 14 -13.659 -4.691 -2.531 129 H VAL 15 H VAL 15 -12.382 -1.187 -3.657 130 HA VAL 15 HA VAL 15 -10.105 -1.447 -5.299 131 HB VAL 15 HB VAL 15 -11.557 1.125 -4.665 132 1HG1 VAL 15 1HG1 VAL 15 -9.676 1.728 -5.870 133 2HG1 VAL 15 2HG1 VAL 15 -10.876 1.502 -7.142 134 3HG1 VAL 15 3HG1 VAL 15 -9.682 0.243 -6.822 135 1HG2 VAL 15 1HG2 VAL 15 -13.125 -0.657 -5.336 136 2HG2 VAL 15 2HG2 VAL 15 -12.193 -0.893 -6.814 137 3HG2 VAL 15 3HG2 VAL 15 -13.022 0.637 -6.530 138 H GLY 16 H GLY 16 -10.683 0.175 -2.243 139 1HA GLY 16 2HA GLY 16 -8.283 1.677 -2.161 140 2HA GLY 16 1HA GLY 16 -9.269 1.235 -0.775 141 H LYS 17 H LYS 17 -9.068 -1.629 -1.300 142 HA LYS 17 HA LYS 17 -6.669 -2.133 0.147 143 1HB LYS 17 2HB LYS 17 -9.053 -3.534 -0.436 144 2HB LYS 17 1HB LYS 17 -7.733 -4.523 -1.045 145 1HG LYS 17 2HG LYS 17 -7.435 -5.279 1.012 146 2HG LYS 17 1HG LYS 17 -6.913 -3.660 1.484 147 1HD LYS 17 2HD LYS 17 -9.500 -3.226 1.651 148 2HD LYS 17 1HD LYS 17 -9.565 -4.981 1.826 149 1HE LYS 17 2HE LYS 17 -7.761 -3.250 3.497 150 2HE LYS 17 1HE LYS 17 -9.419 -3.620 3.967 151 1HZ LYS 17 1HZ LYS 17 -8.906 -5.932 4.042 152 2HZ LYS 17 2HZ LYS 17 -7.730 -5.120 4.947 153 3HZ LYS 17 3HZ LYS 17 -7.363 -5.681 3.394 154 H GLY 18 H GLY 18 -7.693 -2.646 -3.197 155 1HA GLY 18 2HA GLY 18 -5.466 -4.057 -4.116 156 2HA GLY 18 1HA GLY 18 -6.464 -3.003 -5.109 157 H LEU 19 H LEU 19 -6.041 -0.544 -4.193 158 HA LEU 19 HA LEU 19 -3.588 0.209 -5.264 159 1HB LEU 19 2HB LEU 19 -5.355 1.811 -5.100 160 2HB LEU 19 1HB LEU 19 -5.437 1.632 -3.358 161 HG LEU 19 HG LEU 19 -4.368 3.753 -4.155 162 1HD1 LEU 19 1HD1 LEU 19 -3.316 3.815 -2.202 163 2HD1 LEU 19 2HD1 LEU 19 -2.149 2.596 -2.715 164 3HD1 LEU 19 3HD1 LEU 19 -3.697 2.101 -2.031 165 1HD2 LEU 19 1HD2 LEU 19 -2.039 3.612 -4.943 166 2HD2 LEU 19 2HD2 LEU 19 -3.180 2.895 -6.080 167 3HD2 LEU 19 3HD2 LEU 19 -2.198 1.859 -5.045 168 H ARG 20 H ARG 20 -4.551 -0.163 -1.872 169 HA ARG 20 HA ARG 20 -2.159 0.607 -0.694 170 1HB ARG 20 2HB ARG 20 -4.417 0.032 0.410 171 2HB ARG 20 1HB ARG 20 -3.838 -1.629 0.409 172 1HG ARG 20 2HG ARG 20 -3.489 -0.259 2.525 173 2HG ARG 20 1HG ARG 20 -2.103 -1.152 1.896 174 1HD ARG 20 2HD ARG 20 -1.468 1.103 2.581 175 2HD ARG 20 1HD ARG 20 -1.256 0.881 0.847 176 HE ARG 20 HE ARG 20 -2.883 2.462 0.473 177 1HH1 ARG 20 1HH1 ARG 20 -2.935 1.507 3.824 178 2HH1 ARG 20 2HH1 ARG 20 -4.033 2.759 4.299 179 1HH2 ARG 20 1HH2 ARG 20 -4.329 4.117 1.090 180 2HH2 ARG 20 2HH2 ARG 20 -4.824 4.244 2.745 181 H ALA 21 H ALA 21 -3.194 -2.583 -1.819 182 HA ALA 21 HA ALA 21 -0.984 -4.057 -0.984 183 1HB ALA 21 1HB ALA 21 -3.250 -4.707 -2.250 184 2HB ALA 21 2HB ALA 21 -1.839 -5.765 -2.222 185 3HB ALA 21 3HB ALA 21 -2.147 -4.740 -3.625 186 H ILE 22 H ILE 22 -1.364 -1.806 -3.596 187 HA ILE 22 HA ILE 22 1.059 -2.573 -4.951 188 HB ILE 22 HB ILE 22 -0.705 -0.130 -5.187 189 1HG1 ILE 22 2HG1 ILE 22 -1.776 -2.027 -6.137 190 2HG1 ILE 22 1HG1 ILE 22 -1.087 -1.137 -7.490 191 1HG2 ILE 22 1HG2 ILE 22 0.846 -0.107 -7.425 192 2HG2 ILE 22 2HG2 ILE 22 2.000 -0.615 -6.191 193 3HG2 ILE 22 3HG2 ILE 22 1.112 0.896 -5.999 194 1HD1 ILE 22 1HD1 ILE 22 0.925 -2.868 -6.856 195 2HD1 ILE 22 2HD1 ILE 22 -0.278 -3.113 -8.121 196 3HD1 ILE 22 3HD1 ILE 22 -0.519 -3.825 -6.526 197 H ASN 23 H ASN 23 0.142 -0.649 -2.276 198 HA ASN 23 HA ASN 23 2.430 1.067 -2.232 199 1HB ASN 23 2HB ASN 23 1.159 2.134 -0.753 200 2HB ASN 23 1HB ASN 23 -0.035 0.868 -0.892 201 1HD2 ASN 23 1HD2 ASN 23 2.734 2.007 0.915 202 2HD2 ASN 23 2HD2 ASN 23 2.383 1.140 2.368 203 H ILE 24 H ILE 24 1.404 -1.524 -0.031 204 HA ILE 24 HA ILE 24 3.888 -1.793 1.235 205 HB ILE 24 HB ILE 24 3.017 -3.529 2.403 206 1HG1 ILE 24 2HG1 ILE 24 3.137 -5.132 0.530 207 2HG1 ILE 24 1HG1 ILE 24 1.697 -5.374 1.514 208 1HG2 ILE 24 1HG2 ILE 24 0.459 -2.653 1.087 209 2HG2 ILE 24 2HG2 ILE 24 1.294 -1.763 2.361 210 3HG2 ILE 24 3HG2 ILE 24 0.647 -3.370 2.687 211 1HD1 ILE 24 1HD1 ILE 24 0.940 -3.602 -0.503 212 2HD1 ILE 24 2HD1 ILE 24 0.508 -5.305 -0.343 213 3HD1 ILE 24 3HD1 ILE 24 1.924 -4.838 -1.287 214 H ALA 25 H ALA 25 2.665 -2.834 -1.793 215 HA ALA 25 HA ALA 25 4.721 -4.772 -2.272 216 1HB ALA 25 1HB ALA 25 2.745 -5.237 -3.439 217 2HB ALA 25 2HB ALA 25 3.817 -4.577 -4.673 218 3HB ALA 25 3HB ALA 25 2.558 -3.564 -3.966 219 H SER 26 H SER 26 4.198 -1.369 -2.729 220 HA SER 26 HA SER 26 6.471 -1.083 -4.519 221 1HB SER 26 2HB SER 26 4.617 0.928 -3.226 222 2HB SER 26 1HB SER 26 5.978 1.385 -4.250 223 HG SER 26 HG SER 26 5.011 0.173 -5.934 224 H THR 27 H THR 27 5.894 -1.249 -1.187 225 HA THR 27 HA THR 27 8.111 0.391 -0.372 226 HB THR 27 HB THR 27 5.855 -0.477 0.897 227 HG1 THR 27 1HG THR 27 6.769 1.196 1.817 228 1HG2 THR 27 1HG2 THR 27 6.624 -1.804 2.842 229 2HG2 THR 27 2HG2 THR 27 8.118 -2.142 1.968 230 3HG2 THR 27 3HG2 THR 27 6.576 -2.712 1.330 231 H ALA 28 H ALA 28 7.451 -3.052 -0.780 232 HA ALA 28 HA ALA 28 9.789 -4.091 0.325 233 1HB ALA 28 1HB ALA 28 9.420 -6.034 -1.162 234 2HB ALA 28 2HB ALA 28 8.183 -5.111 -2.016 235 3HB ALA 28 3HB ALA 28 7.956 -5.528 -0.317 236 H ASN 29 H ASN 29 9.188 -2.672 -2.835 237 HA ASN 29 HA ASN 29 11.795 -3.338 -3.860 238 1HB ASN 29 2HB ASN 29 11.045 -1.513 -5.610 239 2HB ASN 29 1HB ASN 29 10.305 -3.111 -5.611 240 1HD2 ASN 29 1HD2 ASN 29 9.531 -0.107 -6.125 241 2HD2 ASN 29 2HD2 ASN 29 7.948 -0.027 -5.437 242 H ASP 30 H ASP 30 10.198 -0.342 -2.823 243 HA ASP 30 HA ASP 30 12.408 1.353 -3.088 244 1HB ASP 30 2HB ASP 30 10.320 2.409 -2.773 245 2HB ASP 30 1HB ASP 30 9.955 1.451 -1.341 246 H VAL 31 H VAL 31 11.615 -1.036 -0.739 247 HA VAL 31 HA VAL 31 13.399 -0.093 1.308 248 HB VAL 31 HB VAL 31 11.830 -2.630 0.917 249 1HG1 VAL 31 1HG1 VAL 31 12.665 -3.036 3.379 250 2HG1 VAL 31 2HG1 VAL 31 14.063 -2.120 2.817 251 3HG1 VAL 31 3HG1 VAL 31 13.595 -3.609 1.994 252 1HG2 VAL 31 1HG2 VAL 31 11.721 -0.733 3.235 253 2HG2 VAL 31 2HG2 VAL 31 10.498 -1.873 2.675 254 3HG2 VAL 31 3HG2 VAL 31 10.836 -0.415 1.743 255 H PHE 32 H PHE 32 13.381 -2.966 -0.774 256 HA PHE 32 HA PHE 32 15.845 -3.999 -0.221 257 1HB PHE 32 2HB PHE 32 14.887 -5.408 -1.698 258 2HB PHE 32 1HB PHE 32 13.975 -4.118 -2.469 259 HD1 PHE 32 1HD PHE 32 14.912 -2.895 -4.362 260 HD2 PHE 32 2HD PHE 32 17.000 -6.139 -2.566 261 HE1 PHE 32 1HE PHE 32 16.378 -3.038 -6.333 262 HE2 PHE 32 2HE PHE 32 18.470 -6.286 -4.534 263 HZ PHE 32 HZ PHE 32 18.160 -4.734 -6.420 264 H ASN 33 H ASN 33 15.130 -1.066 -1.905 265 HA ASN 33 HA ASN 33 17.835 -0.835 -2.962 266 1HB ASN 33 2HB ASN 33 16.094 -0.090 -4.441 267 2HB ASN 33 1HB ASN 33 15.404 0.945 -3.194 268 1HD2 ASN 33 1HD2 ASN 33 16.748 1.274 -5.961 269 2HD2 ASN 33 2HD2 ASN 33 17.811 2.613 -5.714 270 H PHE 34 H PHE 34 15.819 0.488 -0.415 271 HA PHE 34 HA PHE 34 17.414 2.687 0.294 272 1HB PHE 34 2HB PHE 34 15.218 2.584 1.197 273 2HB PHE 34 1HB PHE 34 15.494 0.986 1.881 274 HD1 PHE 34 1HD PHE 34 15.355 4.418 2.577 275 HD2 PHE 34 2HD PHE 34 17.434 0.863 3.652 276 HE1 PHE 34 1HE PHE 34 16.015 5.453 4.709 277 HE2 PHE 34 2HE PHE 34 18.098 1.891 5.786 278 HZ PHE 34 HZ PHE 34 17.389 4.189 6.317 279 H LEU 35 H LEU 35 17.609 -0.712 1.147 280 HA LEU 35 HA LEU 35 20.104 -0.133 2.604 281 1HB LEU 35 2HB LEU 35 19.374 -2.595 3.513 282 2HB LEU 35 1HB LEU 35 19.056 -1.082 4.340 283 HG LEU 35 HG LEU 35 16.839 -1.055 3.023 284 1HD1 LEU 35 1HD1 LEU 35 17.911 -3.740 2.396 285 2HD1 LEU 35 2HD1 LEU 35 16.853 -2.688 1.455 286 3HD1 LEU 35 3HD1 LEU 35 16.196 -3.630 2.793 287 1HD2 LEU 35 1HD2 LEU 35 17.583 -2.737 5.361 288 2HD2 LEU 35 2HD2 LEU 35 15.952 -2.883 4.704 289 3HD2 LEU 35 3HD2 LEU 35 16.537 -1.320 5.273 290 H LYS 36 H LYS 36 20.861 -0.288 0.258 291 HA LYS 36 HA LYS 36 21.099 -3.011 -0.726 292 1HB LYS 36 2HB LYS 36 21.697 -0.306 -1.842 293 2HB LYS 36 1HB LYS 36 22.486 -1.713 -2.540 294 1HG LYS 36 2HG LYS 36 20.463 -2.631 -3.264 295 2HG LYS 36 1HG LYS 36 19.511 -1.592 -2.201 296 1HD LYS 36 2HD LYS 36 19.779 0.264 -3.563 297 2HD LYS 36 1HD LYS 36 21.226 -0.387 -4.335 298 1HE LYS 36 2HE LYS 36 19.120 -2.187 -4.871 299 2HE LYS 36 1HE LYS 36 18.498 -0.565 -5.172 300 1HZ LYS 36 1HZ LYS 36 19.494 -0.759 -7.140 301 2HZ LYS 36 2HZ LYS 36 20.423 -2.087 -6.659 302 3HZ LYS 36 3HZ LYS 36 20.954 -0.518 -6.320 303 HA PRO 37 HA PRO 37 25.653 -2.080 0.226 304 1HB PRO 37 2HB PRO 37 26.412 0.264 1.208 305 2HB PRO 37 1HB PRO 37 25.972 0.104 -0.498 306 1HG PRO 37 2HG PRO 37 24.380 1.220 1.774 307 2HG PRO 37 1HG PRO 37 24.522 1.810 0.109 308 1HD PRO 37 2HD PRO 37 22.444 0.240 1.092 309 2HD PRO 37 1HD PRO 37 22.855 0.447 -0.621 310 H LYS 38 H LYS 38 27.136 -1.528 2.253 311 HA LYS 38 HA LYS 38 25.600 -1.935 4.723 312 1HB LYS 38 2HB LYS 38 27.346 -3.595 5.439 313 2HB LYS 38 1HB LYS 38 26.298 -4.139 4.136 314 1HG LYS 38 2HG LYS 38 28.357 -3.036 2.744 315 2HG LYS 38 1HG LYS 38 29.187 -3.672 4.165 316 1HD LYS 38 2HD LYS 38 27.205 -5.399 2.757 317 2HD LYS 38 1HD LYS 38 28.801 -5.170 2.038 318 1HE LYS 38 2HE LYS 38 29.888 -6.190 3.812 319 2HE LYS 38 1HE LYS 38 28.546 -5.916 4.922 320 1HZ LYS 38 1HZ LYS 38 28.829 -7.979 2.836 321 2HZ LYS 38 2HZ LYS 38 27.291 -7.510 3.364 322 3HZ LYS 38 3HZ LYS 38 28.400 -8.159 4.463 323 H LYS 39 H LYS 39 28.626 -0.978 3.205 324 HA LYS 39 HA LYS 39 29.727 0.083 5.650 325 1HB LYS 39 2HB LYS 39 30.634 0.260 2.773 326 2HB LYS 39 1HB LYS 39 31.525 0.946 4.124 327 1HG LYS 39 2HG LYS 39 32.083 -1.138 4.981 328 2HG LYS 39 1HG LYS 39 30.790 -1.953 4.098 329 1HD LYS 39 2HD LYS 39 32.467 -0.703 2.190 330 2HD LYS 39 1HD LYS 39 33.508 -1.557 3.330 331 1HE LYS 39 2HE LYS 39 31.098 -2.956 2.293 332 2HE LYS 39 1HE LYS 39 32.480 -2.765 1.216 333 1HZ LYS 39 1HZ LYS 39 32.589 -3.995 3.918 334 2HZ LYS 39 2HZ LYS 39 33.871 -3.875 2.822 335 3HZ LYS 39 3HZ LYS 39 32.541 -4.855 2.461 336 H ARG 40 H ARG 40 27.284 1.126 3.776 337 HA ARG 40 HA ARG 40 27.481 3.819 4.757 338 1HB ARG 40 2HB ARG 40 28.849 3.871 2.658 339 2HB ARG 40 1HB ARG 40 27.406 3.413 1.764 340 1HG ARG 40 2HG ARG 40 26.394 5.459 2.084 341 2HG ARG 40 1HG ARG 40 27.356 5.828 3.516 342 1HD ARG 40 2HD ARG 40 28.830 5.488 0.976 343 2HD ARG 40 1HD ARG 40 27.815 6.923 1.113 344 HE ARG 40 HE ARG 40 30.242 6.353 2.579 345 1HH1 ARG 40 1HH1 ARG 40 27.347 8.280 2.370 346 2HH1 ARG 40 2HH1 ARG 40 27.976 9.561 3.352 347 1HH2 ARG 40 1HH2 ARG 40 31.078 8.034 3.870 348 2HH2 ARG 40 2HH2 ARG 40 30.098 9.424 4.201 349 H LYS 41 H LYS 41 25.526 3.503 5.756 350 HA LYS 41 HA LYS 41 23.257 2.390 4.443 351 1HB LYS 41 2HB LYS 41 23.010 4.187 6.824 352 2HB LYS 41 1HB LYS 41 22.112 2.727 6.435 353 1HG LYS 41 2HG LYS 41 24.191 1.419 6.868 354 2HG LYS 41 1HG LYS 41 24.942 2.912 7.436 355 1HD LYS 41 2HD LYS 41 22.320 2.117 8.597 356 2HD LYS 41 1HD LYS 41 23.762 1.236 9.104 357 1HE LYS 41 2HE LYS 41 24.630 3.798 9.284 358 2HE LYS 41 1HE LYS 41 22.924 3.996 9.680 359 1HZ LYS 41 1HZ LYS 41 24.820 3.304 11.443 360 2HZ LYS 41 2HZ LYS 41 24.226 1.782 11.007 361 3HZ LYS 41 3HZ LYS 41 23.175 2.952 11.630 362 H ALA 42 H ALA 42 22.552 3.426 2.662 363 HA ALA 42 HA ALA 42 22.470 6.298 2.492 364 1HB ALA 42 1HB ALA 42 20.975 5.321 0.380 365 2HB ALA 42 2HB ALA 42 22.172 4.059 0.673 366 3HB ALA 42 3HB ALA 42 22.694 5.713 0.353 Start of MODEL 16 1 1H ALA 1 1HT ALA 1 33.796 2.381 4.635 2 2H ALA 1 2HT ALA 1 32.938 3.687 3.925 3 3H ALA 1 3HT ALA 1 34.149 2.865 3.029 4 HA ALA 1 HA ALA 1 31.786 1.494 4.075 5 1HB ALA 1 1HB ALA 1 30.766 1.818 1.848 6 2HB ALA 1 2HB ALA 1 32.063 2.943 1.447 7 3HB ALA 1 3HB ALA 1 30.939 3.322 2.752 8 H LYS 2 H LYS 2 31.284 -0.332 2.514 9 HA LYS 2 HA LYS 2 33.676 -1.393 1.208 10 1HB LYS 2 2HB LYS 2 33.288 -2.253 3.642 11 2HB LYS 2 1HB LYS 2 32.000 -3.203 2.915 12 1HG LYS 2 2HG LYS 2 34.940 -3.450 2.623 13 2HG LYS 2 1HG LYS 2 33.706 -4.701 2.792 14 1HD LYS 2 2HD LYS 2 32.990 -4.342 0.503 15 2HD LYS 2 1HD LYS 2 34.143 -3.018 0.327 16 1HE LYS 2 2HE LYS 2 35.988 -4.600 0.707 17 2HE LYS 2 1HE LYS 2 34.821 -5.915 0.837 18 1HZ LYS 2 1HZ LYS 2 34.104 -5.029 -1.499 19 2HZ LYS 2 2HZ LYS 2 35.418 -6.082 -1.344 20 3HZ LYS 2 3HZ LYS 2 35.683 -4.423 -1.535 21 H ILE 3 H ILE 3 30.317 -2.316 1.980 22 HA ILE 3 HA ILE 3 29.638 -2.379 -0.831 23 HB ILE 3 HB ILE 3 30.573 -4.603 -0.581 24 1HG1 ILE 3 2HG1 ILE 3 27.781 -5.437 -0.502 25 2HG1 ILE 3 1HG1 ILE 3 28.023 -4.005 -1.498 26 1HG2 ILE 3 1HG2 ILE 3 28.619 -4.925 1.693 27 2HG2 ILE 3 2HG2 ILE 3 30.376 -4.848 1.823 28 3HG2 ILE 3 3HG2 ILE 3 29.611 -6.214 1.010 29 1HD1 ILE 3 1HD1 ILE 3 29.537 -5.133 -2.913 30 2HD1 ILE 3 2HD1 ILE 3 28.160 -6.211 -2.686 31 3HD1 ILE 3 3HD1 ILE 3 29.661 -6.501 -1.806 32 HA PRO 4 HA PRO 4 26.152 -1.593 2.198 33 1HB PRO 4 2HB PRO 4 26.112 1.067 2.342 34 2HB PRO 4 1HB PRO 4 27.252 0.121 3.307 35 1HG PRO 4 2HG PRO 4 27.719 1.652 0.785 36 2HG PRO 4 1HG PRO 4 28.758 1.497 2.212 37 1HD PRO 4 2HD PRO 4 29.031 0.044 -0.147 38 2HD PRO 4 1HD PRO 4 29.727 -0.405 1.421 39 H ILE 5 H ILE 5 26.793 -1.221 -0.981 40 HA ILE 5 HA ILE 5 24.801 0.515 -1.920 41 HB ILE 5 HB ILE 5 24.910 -1.155 -3.978 42 1HG1 ILE 5 2HG1 ILE 5 27.682 -1.639 -3.107 43 2HG1 ILE 5 1HG1 ILE 5 26.466 -2.567 -2.235 44 1HG2 ILE 5 1HG2 ILE 5 27.420 0.363 -3.538 45 2HG2 ILE 5 2HG2 ILE 5 25.896 1.249 -3.495 46 3HG2 ILE 5 3HG2 ILE 5 26.343 0.333 -4.934 47 1HD1 ILE 5 1HD1 ILE 5 27.608 -3.213 -4.660 48 2HD1 ILE 5 2HD1 ILE 5 26.009 -2.605 -5.091 49 3HD1 ILE 5 3HD1 ILE 5 26.167 -3.941 -3.950 50 H LYS 6 H LYS 6 24.669 -3.014 -2.284 51 HA LYS 6 HA LYS 6 21.950 -3.194 -2.745 52 1HB LYS 6 2HB LYS 6 24.108 -5.012 -2.187 53 2HB LYS 6 1HB LYS 6 22.667 -5.521 -1.318 54 1HG LYS 6 2HG LYS 6 21.814 -6.370 -3.171 55 2HG LYS 6 1HG LYS 6 21.935 -4.805 -3.978 56 1HD LYS 6 2HD LYS 6 24.503 -5.562 -4.102 57 2HD LYS 6 1HD LYS 6 23.736 -7.151 -4.092 58 1HE LYS 6 2HE LYS 6 22.768 -5.000 -5.935 59 2HE LYS 6 1HE LYS 6 24.179 -5.971 -6.355 60 1HZ LYS 6 1HZ LYS 6 22.100 -7.659 -5.479 61 2HZ LYS 6 2HZ LYS 6 22.851 -7.604 -6.994 62 3HZ LYS 6 3HZ LYS 6 21.502 -6.632 -6.684 63 H ALA 7 H ALA 7 23.647 -2.718 0.230 64 HA ALA 7 HA ALA 7 21.509 -3.524 1.954 65 1HB ALA 7 1HB ALA 7 23.320 -3.614 3.260 66 2HB ALA 7 2HB ALA 7 23.075 -1.882 3.480 67 3HB ALA 7 3HB ALA 7 24.211 -2.465 2.262 68 H ILE 8 H ILE 8 22.733 -0.419 0.771 69 HA ILE 8 HA ILE 8 20.874 1.166 2.224 70 HB ILE 8 HB ILE 8 23.062 1.957 1.185 71 1HG1 ILE 8 2HG1 ILE 8 20.955 3.838 0.286 72 2HG1 ILE 8 1HG1 ILE 8 20.869 3.313 1.965 73 1HG2 ILE 8 1HG2 ILE 8 21.852 2.878 -1.251 74 2HG2 ILE 8 2HG2 ILE 8 21.803 1.118 -1.170 75 3HG2 ILE 8 3HG2 ILE 8 23.342 1.963 -1.017 76 1HD1 ILE 8 1HD1 ILE 8 22.992 4.212 2.452 77 2HD1 ILE 8 2HD1 ILE 8 22.137 5.441 1.519 78 3HD1 ILE 8 3HD1 ILE 8 23.367 4.442 0.744 79 H LYS 9 H LYS 9 20.781 -0.520 -0.803 80 HA LYS 9 HA LYS 9 18.479 0.839 -1.842 81 1HB LYS 9 2HB LYS 9 20.254 -1.346 -2.678 82 2HB LYS 9 1HB LYS 9 18.582 -1.552 -3.180 83 1HG LYS 9 2HG LYS 9 19.780 -0.445 -4.925 84 2HG LYS 9 1HG LYS 9 18.658 0.706 -4.196 85 1HD LYS 9 2HD LYS 9 20.715 1.322 -2.707 86 2HD LYS 9 1HD LYS 9 21.638 0.580 -4.016 87 1HE LYS 9 2HE LYS 9 19.720 2.276 -5.203 88 2HE LYS 9 1HE LYS 9 20.465 3.182 -3.888 89 1HZ LYS 9 1HZ LYS 9 22.382 3.335 -4.991 90 2HZ LYS 9 2HZ LYS 9 21.499 2.899 -6.366 91 3HZ LYS 9 3HZ LYS 9 22.349 1.721 -5.499 92 H THR 10 H THR 10 19.098 -2.075 0.010 93 HA THR 10 HA THR 10 16.467 -3.136 -0.165 94 HB THR 10 HB THR 10 18.745 -3.619 1.755 95 HG1 THR 10 1HG THR 10 19.265 -5.111 0.384 96 1HG2 THR 10 1HG2 THR 10 17.350 -5.786 2.186 97 2HG2 THR 10 2HG2 THR 10 15.990 -4.732 1.797 98 3HG2 THR 10 3HG2 THR 10 17.068 -4.325 3.132 99 H VAL 11 H VAL 11 18.116 -0.996 2.087 100 HA VAL 11 HA VAL 11 16.004 -0.904 3.995 101 HB VAL 11 HB VAL 11 18.331 0.952 3.499 102 1HG1 VAL 11 1HG1 VAL 11 15.986 1.255 5.239 103 2HG1 VAL 11 2HG1 VAL 11 17.122 2.464 4.641 104 3HG1 VAL 11 3HG1 VAL 11 17.540 1.479 6.043 105 1HG2 VAL 11 1HG2 VAL 11 18.338 -1.547 4.533 106 2HG2 VAL 11 2HG2 VAL 11 18.091 -0.587 5.993 107 3HG2 VAL 11 3HG2 VAL 11 19.497 -0.291 4.970 108 H GLY 12 H GLY 12 16.957 1.121 1.261 109 1HA GLY 12 2HA GLY 12 15.026 3.148 1.648 110 2HA GLY 12 1HA GLY 12 15.829 2.775 0.128 111 H LYS 13 H LYS 13 14.885 -0.013 0.182 112 HA LYS 13 HA LYS 13 12.328 0.448 -1.076 113 1HB LYS 13 2HB LYS 13 13.948 -2.071 -0.663 114 2HB LYS 13 1HB LYS 13 12.438 -2.001 -1.562 115 1HG LYS 13 2HG LYS 13 13.389 -0.678 -3.259 116 2HG LYS 13 1HG LYS 13 14.813 -0.314 -2.283 117 1HD LYS 13 2HD LYS 13 15.777 -2.351 -2.682 118 2HD LYS 13 1HD LYS 13 14.225 -3.164 -2.897 119 1HE LYS 13 2HE LYS 13 14.385 -1.283 -4.962 120 2HE LYS 13 1HE LYS 13 15.985 -2.018 -4.868 121 1HZ LYS 13 1HZ LYS 13 13.400 -3.440 -5.201 122 2HZ LYS 13 2HZ LYS 13 14.889 -4.209 -4.971 123 3HZ LYS 13 3HZ LYS 13 14.624 -3.278 -6.358 124 H ALA 14 H ALA 14 13.538 -0.820 1.937 125 HA ALA 14 HA ALA 14 11.208 -2.222 2.732 126 1HB ALA 14 1HB ALA 14 12.835 -2.899 4.124 127 2HB ALA 14 2HB ALA 14 12.369 -1.496 5.087 128 3HB ALA 14 3HB ALA 14 13.729 -1.387 3.969 129 H VAL 15 H VAL 15 12.359 1.067 3.348 130 HA VAL 15 HA VAL 15 10.184 1.817 4.996 131 HB VAL 15 HB VAL 15 10.927 4.174 4.395 132 1HG1 VAL 15 1HG1 VAL 15 11.978 3.857 6.327 133 2HG1 VAL 15 2HG1 VAL 15 13.388 3.332 5.407 134 3HG1 VAL 15 3HG1 VAL 15 12.215 2.145 5.976 135 1HG2 VAL 15 1HG2 VAL 15 13.190 2.698 3.058 136 2HG2 VAL 15 2HG2 VAL 15 13.044 4.443 3.266 137 3HG2 VAL 15 3HG2 VAL 15 11.921 3.585 2.213 138 H GLY 16 H GLY 16 10.865 2.189 1.544 139 1HA GLY 16 2HA GLY 16 8.491 3.675 0.988 140 2HA GLY 16 1HA GLY 16 9.521 2.883 -0.196 141 H LYS 17 H LYS 17 9.258 0.272 1.165 142 HA LYS 17 HA LYS 17 6.842 -0.561 -0.162 143 1HB LYS 17 2HB LYS 17 8.539 -2.115 -0.450 144 2HB LYS 17 1HB LYS 17 9.116 -1.947 1.202 145 1HG LYS 17 2HG LYS 17 6.402 -3.042 0.920 146 2HG LYS 17 1HG LYS 17 7.705 -4.053 0.291 147 1HD LYS 17 2HD LYS 17 8.726 -4.247 2.374 148 2HD LYS 17 1HD LYS 17 7.910 -2.819 3.014 149 1HE LYS 17 2HE LYS 17 7.163 -5.290 3.649 150 2HE LYS 17 1HE LYS 17 6.012 -3.961 3.517 151 1HZ LYS 17 1HZ LYS 17 5.664 -6.249 2.275 152 2HZ LYS 17 2HZ LYS 17 6.590 -5.475 1.089 153 3HZ LYS 17 3HZ LYS 17 5.138 -4.783 1.612 154 H GLY 18 H GLY 18 7.963 -0.189 3.154 155 1HA GLY 18 2HA GLY 18 5.810 -1.500 4.425 156 2HA GLY 18 1HA GLY 18 6.840 -0.278 5.158 157 H LEU 19 H LEU 19 6.325 1.943 3.699 158 HA LEU 19 HA LEU 19 3.873 2.828 4.761 159 1HB LEU 19 2HB LEU 19 5.664 4.387 4.366 160 2HB LEU 19 1HB LEU 19 5.674 4.014 2.653 161 HG LEU 19 HG LEU 19 4.601 6.216 3.374 162 1HD1 LEU 19 1HD1 LEU 19 3.598 6.192 1.391 163 2HD1 LEU 19 2HD1 LEU 19 2.501 4.895 1.866 164 3HD1 LEU 19 3HD1 LEU 19 4.117 4.511 1.271 165 1HD2 LEU 19 1HD2 LEU 19 2.219 6.027 4.030 166 2HD2 LEU 19 2HD2 LEU 19 3.329 5.431 5.265 167 3HD2 LEU 19 3HD2 LEU 19 2.449 4.291 4.246 168 H ARG 20 H ARG 20 4.812 1.780 1.520 169 HA ARG 20 HA ARG 20 2.355 2.423 0.282 170 1HB ARG 20 2HB ARG 20 4.816 1.061 -0.449 171 2HB ARG 20 1HB ARG 20 3.412 0.257 -1.131 172 1HG ARG 20 2HG ARG 20 4.717 2.300 -2.311 173 2HG ARG 20 1HG ARG 20 3.023 1.904 -2.603 174 1HD ARG 20 2HD ARG 20 2.262 3.713 -1.460 175 2HD ARG 20 1HD ARG 20 3.593 3.678 -0.306 176 HE ARG 20 HE ARG 20 4.589 5.275 -1.575 177 1HH1 ARG 20 1HH1 ARG 20 2.529 3.370 -3.638 178 2HH1 ARG 20 2HH1 ARG 20 2.893 4.282 -5.064 179 1HH2 ARG 20 1HH2 ARG 20 5.072 6.486 -3.451 180 2HH2 ARG 20 2HH2 ARG 20 4.336 6.054 -4.957 181 H ALA 21 H ALA 21 3.530 -0.491 1.882 182 HA ALA 21 HA ALA 21 1.446 -2.206 1.211 183 1HB ALA 21 1HB ALA 21 3.310 -2.023 3.533 184 2HB ALA 21 2HB ALA 21 3.120 -3.310 2.341 185 3HB ALA 21 3HB ALA 21 1.937 -3.124 3.636 186 H ILE 22 H ILE 22 1.671 0.291 3.678 187 HA ILE 22 HA ILE 22 -0.895 -0.282 4.819 188 HB ILE 22 HB ILE 22 1.112 1.916 5.128 189 1HG1 ILE 22 2HG1 ILE 22 -0.320 0.560 7.365 190 2HG1 ILE 22 1HG1 ILE 22 0.833 -0.385 6.426 191 1HG2 ILE 22 1HG2 ILE 22 -0.638 2.855 6.847 192 2HG2 ILE 22 2HG2 ILE 22 -1.798 2.134 5.731 193 3HG2 ILE 22 3HG2 ILE 22 -0.668 3.362 5.159 194 1HD1 ILE 22 1HD1 ILE 22 1.383 1.270 8.578 195 2HD1 ILE 22 2HD1 ILE 22 1.937 2.172 7.167 196 3HD1 ILE 22 3HD1 ILE 22 2.548 0.545 7.471 197 H ASN 23 H ASN 23 0.277 1.411 2.079 198 HA ASN 23 HA ASN 23 -1.965 3.165 1.772 199 1HB ASN 23 2HB ASN 23 -0.810 4.040 0.035 200 2HB ASN 23 1HB ASN 23 0.519 3.187 0.785 201 1HD2 ASN 23 1HD2 ASN 23 -2.108 2.592 -1.519 202 2HD2 ASN 23 2HD2 ASN 23 -1.153 1.691 -2.641 203 H ILE 24 H ILE 24 -0.854 0.300 0.012 204 HA ILE 24 HA ILE 24 -3.182 0.025 -1.549 205 HB ILE 24 HB ILE 24 -2.200 -1.769 -2.480 206 1HG1 ILE 24 2HG1 ILE 24 -2.914 -3.210 -0.542 207 2HG1 ILE 24 1HG1 ILE 24 -1.452 -3.749 -1.360 208 1HG2 ILE 24 1HG2 ILE 24 -0.310 -0.187 -1.998 209 2HG2 ILE 24 2HG2 ILE 24 0.151 -1.856 -2.334 210 3HG2 ILE 24 3HG2 ILE 24 0.143 -1.261 -0.674 211 1HD1 ILE 24 1HD1 ILE 24 -0.306 -2.301 0.530 212 2HD1 ILE 24 2HD1 ILE 24 -0.790 -3.977 0.792 213 3HD1 ILE 24 3HD1 ILE 24 -1.816 -2.662 1.365 214 H ALA 25 H ALA 25 -2.455 -0.612 1.711 215 HA ALA 25 HA ALA 25 -4.688 -2.395 2.114 216 1HB ALA 25 1HB ALA 25 -3.858 -1.804 4.615 217 2HB ALA 25 2HB ALA 25 -2.381 -1.492 3.704 218 3HB ALA 25 3HB ALA 25 -3.149 -3.077 3.621 219 H SER 26 H SER 26 -3.879 0.980 2.420 220 HA SER 26 HA SER 26 -6.227 1.564 4.027 221 1HB SER 26 2HB SER 26 -3.826 3.001 3.189 222 2HB SER 26 1HB SER 26 -5.281 3.988 3.058 223 HG SER 26 HG SER 26 -3.926 3.483 5.226 224 H THR 27 H THR 27 -5.314 1.488 0.699 225 HA THR 27 HA THR 27 -7.539 3.070 -0.211 226 HB THR 27 HB THR 27 -5.529 1.342 -1.659 227 HG1 THR 27 1HG THR 27 -4.458 3.133 -1.842 228 1HG2 THR 27 1HG2 THR 27 -6.484 1.673 -3.653 229 2HG2 THR 27 2HG2 THR 27 -7.071 3.280 -3.222 230 3HG2 THR 27 3HG2 THR 27 -7.964 1.849 -2.708 231 H ALA 28 H ALA 28 -6.731 -0.346 0.095 232 HA ALA 28 HA ALA 28 -8.946 -1.399 -1.280 233 1HB ALA 28 1HB ALA 28 -7.859 -2.846 1.083 234 2HB ALA 28 2HB ALA 28 -6.782 -2.534 -0.279 235 3HB ALA 28 3HB ALA 28 -8.269 -3.450 -0.523 236 H ASN 29 H ASN 29 -8.532 -0.296 2.039 237 HA ASN 29 HA ASN 29 -11.147 -1.212 2.840 238 1HB ASN 29 2HB ASN 29 -9.032 0.456 4.194 239 2HB ASN 29 1HB ASN 29 -10.616 0.192 4.917 240 1HD2 ASN 29 1HD2 ASN 29 -8.000 -0.617 5.874 241 2HD2 ASN 29 2HD2 ASN 29 -8.053 -2.337 6.034 242 H ASP 30 H ASP 30 -9.614 1.916 2.233 243 HA ASP 30 HA ASP 30 -11.886 3.505 2.648 244 1HB ASP 30 2HB ASP 30 -9.338 3.853 1.102 245 2HB ASP 30 1HB ASP 30 -10.619 5.051 0.951 246 H VAL 31 H VAL 31 -10.724 1.715 -0.127 247 HA VAL 31 HA VAL 31 -12.438 2.768 -2.085 248 HB VAL 31 HB VAL 31 -11.001 0.147 -1.801 249 1HG1 VAL 31 1HG1 VAL 31 -12.975 -0.504 -2.963 250 2HG1 VAL 31 2HG1 VAL 31 -11.689 -0.349 -4.158 251 3HG1 VAL 31 3HG1 VAL 31 -12.905 0.919 -4.002 252 1HG2 VAL 31 1HG2 VAL 31 -9.519 0.991 -3.346 253 2HG2 VAL 31 2HG2 VAL 31 -9.977 2.443 -2.456 254 3HG2 VAL 31 3HG2 VAL 31 -10.702 2.107 -4.029 255 H PHE 32 H PHE 32 -12.727 -0.200 -0.168 256 HA PHE 32 HA PHE 32 -15.337 -0.842 -1.032 257 1HB PHE 32 2HB PHE 32 -13.956 -2.558 -0.081 258 2HB PHE 32 1HB PHE 32 -13.781 -1.661 1.423 259 HD1 PHE 32 1HD PHE 32 -15.547 -1.632 3.068 260 HD2 PHE 32 2HD PHE 32 -15.992 -3.746 -0.597 261 HE1 PHE 32 1HE PHE 32 -17.492 -2.825 3.995 262 HE2 PHE 32 2HE PHE 32 -17.937 -4.942 0.321 263 HZ PHE 32 HZ PHE 32 -18.689 -4.482 2.621 264 H ASN 33 H ASN 33 -14.205 1.529 1.118 265 HA ASN 33 HA ASN 33 -16.674 1.666 2.647 266 1HB ASN 33 2HB ASN 33 -14.416 2.067 3.687 267 2HB ASN 33 1HB ASN 33 -14.317 3.553 2.748 268 1HD2 ASN 33 1HD2 ASN 33 -15.627 5.282 3.275 269 2HD2 ASN 33 2HD2 ASN 33 -16.477 5.378 4.776 270 H PHE 34 H PHE 34 -15.057 3.343 0.030 271 HA PHE 34 HA PHE 34 -16.684 5.657 0.019 272 1HB PHE 34 2HB PHE 34 -14.936 4.347 -2.048 273 2HB PHE 34 1HB PHE 34 -15.900 5.766 -2.441 274 HD1 PHE 34 1HD PHE 34 -12.783 5.248 -2.286 275 HD2 PHE 34 2HD PHE 34 -15.626 7.181 0.223 276 HE1 PHE 34 1HE PHE 34 -11.006 6.696 -1.392 277 HE2 PHE 34 2HE PHE 34 -13.854 8.632 1.120 278 HZ PHE 34 HZ PHE 34 -11.541 8.391 0.312 279 H LEU 35 H LEU 35 -16.907 2.566 -1.682 280 HA LEU 35 HA LEU 35 -19.166 3.242 -3.255 281 1HB LEU 35 2HB LEU 35 -17.921 1.418 -4.025 282 2HB LEU 35 1HB LEU 35 -17.871 0.663 -2.444 283 HG LEU 35 HG LEU 35 -20.483 0.471 -2.819 284 1HD1 LEU 35 1HD1 LEU 35 -20.460 1.723 -4.929 285 2HD1 LEU 35 2HD1 LEU 35 -21.047 0.074 -5.143 286 3HD1 LEU 35 3HD1 LEU 35 -19.407 0.497 -5.635 287 1HD2 LEU 35 1HD2 LEU 35 -18.311 -1.238 -2.981 288 2HD2 LEU 35 2HD2 LEU 35 -19.209 -1.543 -4.467 289 3HD2 LEU 35 3HD2 LEU 35 -20.010 -1.704 -2.904 290 H LYS 36 H LYS 36 -19.230 0.653 -0.860 291 HA LYS 36 HA LYS 36 -20.988 -0.101 0.413 292 1HB LYS 36 2HB LYS 36 -19.715 2.003 1.542 293 2HB LYS 36 1HB LYS 36 -21.367 2.606 1.533 294 1HG LYS 36 2HG LYS 36 -21.602 1.524 3.459 295 2HG LYS 36 1HG LYS 36 -21.666 0.054 2.486 296 1HD LYS 36 2HD LYS 36 -20.049 -0.301 4.198 297 2HD LYS 36 1HD LYS 36 -19.169 -0.076 2.686 298 1HE LYS 36 2HE LYS 36 -17.949 1.330 3.978 299 2HE LYS 36 1HE LYS 36 -19.222 2.459 3.518 300 1HZ LYS 36 1HZ LYS 36 -19.888 2.620 5.616 301 2HZ LYS 36 2HZ LYS 36 -18.486 1.789 6.066 302 3HZ LYS 36 3HZ LYS 36 -19.930 0.942 5.827 303 HA PRO 37 HA PRO 37 -24.518 1.373 -2.087 304 1HB PRO 37 2HB PRO 37 -25.796 -1.013 -2.119 305 2HB PRO 37 1HB PRO 37 -24.468 -0.634 -3.222 306 1HG PRO 37 2HG PRO 37 -24.423 -2.203 -0.672 307 2HG PRO 37 1HG PRO 37 -23.636 -2.565 -2.220 308 1HD PRO 37 2HD PRO 37 -22.310 -1.471 -0.123 309 2HD PRO 37 1HD PRO 37 -21.888 -1.120 -1.811 310 H LYS 38 H LYS 38 -26.488 2.068 -1.381 311 HA LYS 38 HA LYS 38 -27.080 1.680 1.441 312 1HB LYS 38 2HB LYS 38 -28.954 3.402 0.764 313 2HB LYS 38 1HB LYS 38 -27.289 3.923 0.987 314 1HG LYS 38 2HG LYS 38 -26.908 3.934 -1.377 315 2HG LYS 38 1HG LYS 38 -28.487 3.208 -1.679 316 1HD LYS 38 2HD LYS 38 -29.463 5.264 -0.524 317 2HD LYS 38 1HD LYS 38 -27.857 5.978 -0.698 318 1HE LYS 38 2HE LYS 38 -28.951 4.747 -3.134 319 2HE LYS 38 1HE LYS 38 -29.833 6.157 -2.550 320 1HZ LYS 38 1HZ LYS 38 -27.919 7.490 -2.719 321 2HZ LYS 38 2HZ LYS 38 -27.971 6.602 -4.157 322 3HZ LYS 38 3HZ LYS 38 -26.896 6.159 -2.929 323 H LYS 39 H LYS 39 -28.758 1.366 -1.669 324 HA LYS 39 HA LYS 39 -30.901 -0.127 -0.358 325 1HB LYS 39 2HB LYS 39 -30.675 0.865 -3.204 326 2HB LYS 39 1HB LYS 39 -32.088 0.091 -2.499 327 1HG LYS 39 2HG LYS 39 -32.743 1.958 -1.432 328 2HG LYS 39 1HG LYS 39 -31.092 2.448 -1.050 329 1HD LYS 39 2HD LYS 39 -30.782 3.205 -3.357 330 2HD LYS 39 1HD LYS 39 -32.430 2.705 -3.744 331 1HE LYS 39 2HE LYS 39 -32.316 4.443 -1.419 332 2HE LYS 39 1HE LYS 39 -31.631 5.203 -2.855 333 1HZ LYS 39 1HZ LYS 39 -33.752 4.405 -3.999 334 2HZ LYS 39 2HZ LYS 39 -33.879 5.723 -2.946 335 3HZ LYS 39 3HZ LYS 39 -34.372 4.187 -2.439 336 H ARG 40 H ARG 40 -27.990 -0.926 -1.423 337 HA ARG 40 HA ARG 40 -27.045 -2.703 -2.562 338 1HB ARG 40 2HB ARG 40 -28.215 -4.894 -1.580 339 2HB ARG 40 1HB ARG 40 -27.139 -3.889 -0.620 340 1HG ARG 40 2HG ARG 40 -28.923 -2.882 0.525 341 2HG ARG 40 1HG ARG 40 -30.109 -3.464 -0.646 342 1HD ARG 40 2HD ARG 40 -28.671 -5.680 0.468 343 2HD ARG 40 1HD ARG 40 -29.318 -4.677 1.766 344 HE ARG 40 HE ARG 40 -31.364 -5.032 -0.069 345 1HH1 ARG 40 1HH1 ARG 40 -29.407 -7.010 2.025 346 2HH1 ARG 40 2HH1 ARG 40 -30.634 -8.212 2.252 347 1HH2 ARG 40 1HH2 ARG 40 -32.986 -6.608 0.222 348 2HH2 ARG 40 2HH2 ARG 40 -32.668 -7.984 1.224 349 H LYS 41 H LYS 41 -28.232 -1.835 -4.559 350 HA LYS 41 HA LYS 41 -30.511 -2.676 -5.686 351 1HB LYS 41 2HB LYS 41 -27.793 -2.579 -7.001 352 2HB LYS 41 1HB LYS 41 -29.298 -2.756 -7.891 353 1HG LYS 41 2HG LYS 41 -28.708 -0.441 -6.065 354 2HG LYS 41 1HG LYS 41 -28.392 -0.433 -7.800 355 1HD LYS 41 2HD LYS 41 -30.864 -1.084 -8.050 356 2HD LYS 41 1HD LYS 41 -31.027 -0.570 -6.369 357 1HE LYS 41 2HE LYS 41 -31.069 1.570 -6.967 358 2HE LYS 41 1HE LYS 41 -29.570 1.394 -7.878 359 1HZ LYS 41 1HZ LYS 41 -30.974 1.939 -9.555 360 2HZ LYS 41 2HZ LYS 41 -32.336 1.270 -8.809 361 3HZ LYS 41 3HZ LYS 41 -31.215 0.264 -9.578 362 H ALA 42 H ALA 42 -31.375 -4.477 -6.652 363 HA ALA 42 HA ALA 42 -30.737 -6.987 -5.692 364 1HB ALA 42 1HB ALA 42 -32.001 -6.684 -8.386 365 2HB ALA 42 2HB ALA 42 -32.845 -6.139 -6.937 366 3HB ALA 42 3HB ALA 42 -32.372 -7.830 -7.098 Start of MODEL 17 1 1H ALA 1 1HT ALA 1 -31.294 -9.589 7.009 2 2H ALA 1 2HT ALA 1 -30.349 -9.871 5.604 3 3H ALA 1 3HT ALA 1 -32.016 -9.487 5.458 4 HA ALA 1 HA ALA 1 -31.732 -7.332 5.926 5 1HB ALA 1 1HB ALA 1 -29.084 -7.052 6.890 6 2HB ALA 1 2HB ALA 1 -29.858 -8.343 7.809 7 3HB ALA 1 3HB ALA 1 -30.600 -6.745 7.738 8 H LYS 2 H LYS 2 -31.592 -6.644 3.895 9 HA LYS 2 HA LYS 2 -29.180 -7.196 2.333 10 1HB LYS 2 2HB LYS 2 -30.548 -6.327 0.422 11 2HB LYS 2 1HB LYS 2 -31.226 -7.743 1.208 12 1HG LYS 2 2HG LYS 2 -33.064 -6.653 1.874 13 2HG LYS 2 1HG LYS 2 -32.169 -5.192 2.293 14 1HD LYS 2 2HD LYS 2 -32.674 -4.222 0.346 15 2HD LYS 2 1HD LYS 2 -32.205 -5.656 -0.569 16 1HE LYS 2 2HE LYS 2 -34.629 -6.247 0.771 17 2HE LYS 2 1HE LYS 2 -34.818 -4.672 0.002 18 1HZ LYS 2 1HZ LYS 2 -34.031 -7.213 -1.314 19 2HZ LYS 2 2HZ LYS 2 -34.014 -5.706 -2.081 20 3HZ LYS 2 3HZ LYS 2 -35.475 -6.358 -1.531 21 H ILE 3 H ILE 3 -29.220 -5.077 0.567 22 HA ILE 3 HA ILE 3 -28.596 -2.916 0.247 23 HB ILE 3 HB ILE 3 -29.628 -2.504 3.048 24 1HG1 ILE 3 2HG1 ILE 3 -30.884 -2.048 0.337 25 2HG1 ILE 3 1HG1 ILE 3 -31.391 -3.218 1.551 26 1HG2 ILE 3 1HG2 ILE 3 -28.461 -0.588 2.886 27 2HG2 ILE 3 2HG2 ILE 3 -29.799 -0.082 1.854 28 3HG2 ILE 3 3HG2 ILE 3 -28.315 -0.705 1.133 29 1HD1 ILE 3 1HD1 ILE 3 -31.785 -1.183 3.056 30 2HD1 ILE 3 2HD1 ILE 3 -32.927 -1.489 1.747 31 3HD1 ILE 3 3HD1 ILE 3 -31.691 -0.243 1.567 32 HA PRO 4 HA PRO 4 -24.892 -3.740 3.068 33 1HB PRO 4 2HB PRO 4 -23.484 -5.566 1.737 34 2HB PRO 4 1HB PRO 4 -24.848 -6.044 2.756 35 1HG PRO 4 2HG PRO 4 -24.728 -5.728 -0.220 36 2HG PRO 4 1HG PRO 4 -25.492 -7.009 0.738 37 1HD PRO 4 2HD PRO 4 -26.836 -4.854 -0.342 38 2HD PRO 4 1HD PRO 4 -27.395 -5.792 1.057 39 H ILE 5 H ILE 5 -25.522 -2.749 -0.080 40 HA ILE 5 HA ILE 5 -23.171 -2.344 -1.369 41 HB ILE 5 HB ILE 5 -25.401 -1.622 -2.195 42 1HG1 ILE 5 2HG1 ILE 5 -23.025 -0.800 -3.009 43 2HG1 ILE 5 1HG1 ILE 5 -24.498 -0.116 -3.688 44 1HG2 ILE 5 1HG2 ILE 5 -26.305 -0.457 -0.345 45 2HG2 ILE 5 2HG2 ILE 5 -26.069 0.742 -1.617 46 3HG2 ILE 5 3HG2 ILE 5 -24.929 0.644 -0.275 47 1HD1 ILE 5 1HD1 ILE 5 -22.608 1.468 -3.004 48 2HD1 ILE 5 2HD1 ILE 5 -23.141 1.163 -1.351 49 3HD1 ILE 5 3HD1 ILE 5 -24.254 1.874 -2.520 50 H LYS 6 H LYS 6 -24.361 -0.520 1.398 51 HA LYS 6 HA LYS 6 -22.372 1.499 1.319 52 1HB LYS 6 2HB LYS 6 -24.667 1.214 2.694 53 2HB LYS 6 1HB LYS 6 -23.525 0.731 3.941 54 1HG LYS 6 2HG LYS 6 -23.488 2.926 4.392 55 2HG LYS 6 1HG LYS 6 -22.340 2.983 3.053 56 1HD LYS 6 2HD LYS 6 -23.711 4.391 2.010 57 2HD LYS 6 1HD LYS 6 -24.895 3.088 1.893 58 1HE LYS 6 2HE LYS 6 -26.240 4.138 3.314 59 2HE LYS 6 1HE LYS 6 -24.965 4.177 4.531 60 1HZ LYS 6 1HZ LYS 6 -25.746 6.234 2.590 61 2HZ LYS 6 2HZ LYS 6 -24.132 6.167 3.089 62 3HZ LYS 6 3HZ LYS 6 -25.360 6.393 4.229 63 H ALA 7 H ALA 7 -22.397 -1.758 2.469 64 HA ALA 7 HA ALA 7 -20.157 -1.480 4.237 65 1HB ALA 7 1HB ALA 7 -20.185 -4.086 3.899 66 2HB ALA 7 2HB ALA 7 -21.766 -3.756 3.192 67 3HB ALA 7 3HB ALA 7 -21.429 -3.282 4.857 68 H ILE 8 H ILE 8 -20.640 -2.541 0.908 69 HA ILE 8 HA ILE 8 -17.990 -3.422 0.459 70 HB ILE 8 HB ILE 8 -19.674 -4.166 -1.053 71 1HG1 ILE 8 2HG1 ILE 8 -18.109 -2.162 -2.671 72 2HG1 ILE 8 1HG1 ILE 8 -17.336 -3.560 -1.932 73 1HG2 ILE 8 1HG2 ILE 8 -20.840 -2.557 -2.576 74 2HG2 ILE 8 2HG2 ILE 8 -20.192 -1.249 -1.586 75 3HG2 ILE 8 3HG2 ILE 8 -21.294 -2.429 -0.877 76 1HD1 ILE 8 1HD1 ILE 8 -18.075 -4.924 -3.520 77 2HD1 ILE 8 2HD1 ILE 8 -18.481 -3.465 -4.423 78 3HD1 ILE 8 3HD1 ILE 8 -19.709 -4.267 -3.444 79 H LYS 9 H LYS 9 -19.586 -0.304 0.123 80 HA LYS 9 HA LYS 9 -17.495 1.013 -1.244 81 1HB LYS 9 2HB LYS 9 -19.486 2.284 0.634 82 2HB LYS 9 1HB LYS 9 -18.639 3.051 -0.703 83 1HG LYS 9 2HG LYS 9 -20.333 0.718 -1.362 84 2HG LYS 9 1HG LYS 9 -21.157 2.201 -0.875 85 1HD LYS 9 2HD LYS 9 -19.182 1.875 -3.131 86 2HD LYS 9 1HD LYS 9 -20.912 2.195 -3.270 87 1HE LYS 9 2HE LYS 9 -19.839 4.186 -1.588 88 2HE LYS 9 1HE LYS 9 -18.752 4.044 -2.969 89 1HZ LYS 9 1HZ LYS 9 -21.647 4.664 -2.987 90 2HZ LYS 9 2HZ LYS 9 -20.818 4.190 -4.383 91 3HZ LYS 9 3HZ LYS 9 -20.373 5.609 -3.577 92 H THR 10 H THR 10 -18.276 0.651 2.182 93 HA THR 10 HA THR 10 -16.305 2.350 3.218 94 HB THR 10 HB THR 10 -17.604 -0.116 4.382 95 HG1 THR 10 1HG THR 10 -19.154 1.247 4.660 96 1HG2 THR 10 1HG2 THR 10 -16.000 -0.059 5.935 97 2HG2 THR 10 2HG2 THR 10 -16.874 1.350 6.534 98 3HG2 THR 10 3HG2 THR 10 -15.474 1.562 5.482 99 H VAL 11 H VAL 11 -16.216 -1.060 2.339 100 HA VAL 11 HA VAL 11 -13.613 -1.584 3.311 101 HB VAL 11 HB VAL 11 -15.166 -2.966 1.119 102 1HG1 VAL 11 1HG1 VAL 11 -12.748 -3.388 0.960 103 2HG1 VAL 11 2HG1 VAL 11 -13.644 -4.834 1.423 104 3HG1 VAL 11 3HG1 VAL 11 -12.744 -3.928 2.639 105 1HG2 VAL 11 1HG2 VAL 11 -16.442 -3.339 2.984 106 2HG2 VAL 11 2HG2 VAL 11 -15.067 -3.226 4.082 107 3HG2 VAL 11 3HG2 VAL 11 -15.303 -4.679 3.112 108 H GLY 12 H GLY 12 -14.858 -0.419 0.233 109 1HA GLY 12 2HA GLY 12 -12.480 -0.623 -1.261 110 2HA GLY 12 1HA GLY 12 -13.798 0.495 -1.590 111 H LYS 13 H LYS 13 -13.571 1.688 1.102 112 HA LYS 13 HA LYS 13 -11.554 3.643 0.448 113 1HB LYS 13 2HB LYS 13 -13.070 3.603 3.035 114 2HB LYS 13 1HB LYS 13 -12.500 4.984 2.108 115 1HG LYS 13 2HG LYS 13 -14.286 3.684 0.418 116 2HG LYS 13 1HG LYS 13 -15.038 3.626 2.013 117 1HD LYS 13 2HD LYS 13 -15.752 5.639 0.942 118 2HD LYS 13 1HD LYS 13 -14.611 6.082 2.213 119 1HE LYS 13 2HE LYS 13 -13.618 7.297 0.609 120 2HE LYS 13 1HE LYS 13 -12.950 5.753 0.082 121 1HZ LYS 13 1HZ LYS 13 -14.184 5.773 -1.761 122 2HZ LYS 13 2HZ LYS 13 -14.416 7.419 -1.454 123 3HZ LYS 13 3HZ LYS 13 -15.579 6.296 -0.958 124 H ALA 14 H ALA 14 -12.030 1.089 2.821 125 HA ALA 14 HA ALA 14 -9.724 1.740 4.374 126 1HB ALA 14 1HB ALA 14 -11.784 0.336 5.055 127 2HB ALA 14 2HB ALA 14 -10.194 -0.159 5.637 128 3HB ALA 14 3HB ALA 14 -10.935 -0.999 4.274 129 H VAL 15 H VAL 15 -10.422 -0.833 2.030 130 HA VAL 15 HA VAL 15 -7.744 -1.773 1.912 131 HB VAL 15 HB VAL 15 -9.997 -2.104 -0.079 132 1HG1 VAL 15 1HG1 VAL 15 -8.269 -4.250 -0.332 133 2HG1 VAL 15 2HG1 VAL 15 -7.198 -2.857 -0.183 134 3HG1 VAL 15 3HG1 VAL 15 -8.425 -2.893 -1.449 135 1HG2 VAL 15 1HG2 VAL 15 -10.269 -3.010 2.292 136 2HG2 VAL 15 2HG2 VAL 15 -8.985 -4.147 1.878 137 3HG2 VAL 15 3HG2 VAL 15 -10.494 -4.150 0.964 138 H GLY 16 H GLY 16 -9.477 0.814 0.428 139 1HA GLY 16 2HA GLY 16 -7.785 1.195 -1.832 140 2HA GLY 16 1HA GLY 16 -8.897 2.378 -1.156 141 H LYS 17 H LYS 17 -7.705 2.291 1.503 142 HA LYS 17 HA LYS 17 -5.658 4.240 1.079 143 1HB LYS 17 2HB LYS 17 -6.361 2.888 3.685 144 2HB LYS 17 1HB LYS 17 -5.581 4.448 3.469 145 1HG LYS 17 2HG LYS 17 -8.095 4.459 2.114 146 2HG LYS 17 1HG LYS 17 -8.320 3.904 3.774 147 1HD LYS 17 2HD LYS 17 -6.912 6.438 2.932 148 2HD LYS 17 1HD LYS 17 -8.539 6.336 3.606 149 1HE LYS 17 2HE LYS 17 -6.168 5.237 5.079 150 2HE LYS 17 1HE LYS 17 -6.595 6.945 5.179 151 1HZ LYS 17 1HZ LYS 17 -8.172 6.467 6.638 152 2HZ LYS 17 2HZ LYS 17 -7.664 4.854 6.645 153 3HZ LYS 17 3HZ LYS 17 -8.889 5.349 5.590 154 H GLY 18 H GLY 18 -5.684 1.000 2.539 155 1HA GLY 18 2HA GLY 18 -2.888 0.827 2.902 156 2HA GLY 18 1HA GLY 18 -3.997 -0.538 2.828 157 H LEU 19 H LEU 19 -4.983 0.179 0.188 158 HA LEU 19 HA LEU 19 -3.140 -1.274 -1.390 159 1HB LEU 19 2HB LEU 19 -5.366 -1.470 -2.060 160 2HB LEU 19 1HB LEU 19 -5.651 0.256 -1.951 161 HG LEU 19 HG LEU 19 -3.696 -0.078 -3.951 162 1HD1 LEU 19 1HD1 LEU 19 -4.558 -2.493 -3.860 163 2HD1 LEU 19 2HD1 LEU 19 -4.493 -1.688 -5.428 164 3HD1 LEU 19 3HD1 LEU 19 -6.032 -1.844 -4.580 165 1HD2 LEU 19 1HD2 LEU 19 -5.129 1.674 -4.275 166 2HD2 LEU 19 2HD2 LEU 19 -6.548 0.751 -3.780 167 3HD2 LEU 19 3HD2 LEU 19 -5.841 0.493 -5.375 168 H ARG 20 H ARG 20 -4.038 2.156 -1.293 169 HA ARG 20 HA ARG 20 -2.324 3.009 -3.340 170 1HB ARG 20 2HB ARG 20 -4.116 4.427 -2.492 171 2HB ARG 20 1HB ARG 20 -3.328 4.524 -0.923 172 1HG ARG 20 2HG ARG 20 -3.086 6.499 -2.537 173 2HG ARG 20 1HG ARG 20 -1.640 5.909 -1.714 174 1HD ARG 20 2HD ARG 20 -0.950 6.182 -3.925 175 2HD ARG 20 1HD ARG 20 -1.286 4.459 -3.801 176 HE ARG 20 HE ARG 20 -3.082 4.720 -5.228 177 1HH1 ARG 20 1HH1 ARG 20 -1.805 7.825 -4.307 178 2HH1 ARG 20 2HH1 ARG 20 -2.701 8.695 -5.507 179 1HH2 ARG 20 1HH2 ARG 20 -4.267 5.853 -6.812 180 2HH2 ARG 20 2HH2 ARG 20 -4.102 7.573 -6.933 181 H ALA 21 H ALA 21 -1.765 2.228 -0.006 182 HA ALA 21 HA ALA 21 0.827 3.474 0.128 183 1HB ALA 21 1HB ALA 21 -0.152 3.342 2.223 184 2HB ALA 21 2HB ALA 21 0.956 1.970 2.249 185 3HB ALA 21 3HB ALA 21 -0.762 1.709 1.950 186 H ILE 22 H ILE 22 -0.468 0.498 -0.977 187 HA ILE 22 HA ILE 22 1.943 -1.038 -0.747 188 HB ILE 22 HB ILE 22 -0.630 -1.462 -2.260 189 1HG1 ILE 22 2HG1 ILE 22 -0.706 -1.835 0.155 190 2HG1 ILE 22 1HG1 ILE 22 -0.866 -3.362 -0.707 191 1HG2 ILE 22 1HG2 ILE 22 1.913 -3.043 -2.395 192 2HG2 ILE 22 2HG2 ILE 22 0.886 -2.479 -3.712 193 3HG2 ILE 22 3HG2 ILE 22 0.345 -3.799 -2.676 194 1HD1 ILE 22 1HD1 ILE 22 0.881 -4.197 0.358 195 2HD1 ILE 22 2HD1 ILE 22 0.930 -2.730 1.334 196 3HD1 ILE 22 3HD1 ILE 22 1.894 -2.842 -0.139 197 H ASN 23 H ASN 23 0.560 1.189 -3.004 198 HA ASN 23 HA ASN 23 2.212 0.462 -5.229 199 1HB ASN 23 2HB ASN 23 0.704 1.737 -6.274 200 2HB ASN 23 1HB ASN 23 0.020 2.206 -4.737 201 1HD2 ASN 23 1HD2 ASN 23 0.527 4.202 -3.878 202 2HD2 ASN 23 2HD2 ASN 23 1.322 5.434 -4.789 203 H ILE 24 H ILE 24 2.105 3.321 -3.178 204 HA ILE 24 HA ILE 24 4.552 4.416 -3.948 205 HB ILE 24 HB ILE 24 3.949 6.059 -2.559 206 1HG1 ILE 24 2HG1 ILE 24 5.485 5.013 -0.914 207 2HG1 ILE 24 1HG1 ILE 24 4.176 5.909 -0.149 208 1HG2 ILE 24 1HG2 ILE 24 1.946 5.847 -1.083 209 2HG2 ILE 24 2HG2 ILE 24 1.861 4.149 -1.550 210 3HG2 ILE 24 3HG2 ILE 24 1.683 5.411 -2.770 211 1HD1 ILE 24 1HD1 ILE 24 4.943 3.229 0.260 212 2HD1 ILE 24 2HD1 ILE 24 3.348 3.214 -0.491 213 3HD1 ILE 24 3HD1 ILE 24 3.610 4.114 1.002 214 H ALA 25 H ALA 25 3.716 1.765 -1.942 215 HA ALA 25 HA ALA 25 6.316 1.533 -0.742 216 1HB ALA 25 1HB ALA 25 5.383 -0.665 0.099 217 2HB ALA 25 2HB ALA 25 3.865 -0.205 -0.673 218 3HB ALA 25 3HB ALA 25 4.532 0.789 0.622 219 H SER 26 H SER 26 4.624 0.394 -3.531 220 HA SER 26 HA SER 26 6.411 -1.788 -4.098 221 1HB SER 26 2HB SER 26 4.027 -0.580 -5.342 222 2HB SER 26 1HB SER 26 5.194 -1.243 -6.486 223 HG SER 26 HG SER 26 3.743 -2.549 -4.462 224 H THR 27 H THR 27 6.168 1.599 -4.899 225 HA THR 27 HA THR 27 8.073 1.595 -7.012 226 HB THR 27 HB THR 27 6.846 3.725 -5.287 227 HG1 THR 27 1HG THR 27 5.546 3.653 -6.915 228 1HG2 THR 27 1HG2 THR 27 8.137 5.100 -7.288 229 2HG2 THR 27 2HG2 THR 27 9.358 3.967 -6.709 230 3HG2 THR 27 3HG2 THR 27 8.580 5.077 -5.581 231 H ALA 28 H ALA 28 8.243 2.373 -3.560 232 HA ALA 28 HA ALA 28 11.011 3.002 -3.556 233 1HB ALA 28 1HB ALA 28 9.525 3.787 -1.796 234 2HB ALA 28 2HB ALA 28 10.838 2.828 -1.113 235 3HB ALA 28 3HB ALA 28 9.229 2.126 -1.282 236 H ASN 29 H ASN 29 9.204 0.040 -3.341 237 HA ASN 29 HA ASN 29 10.984 -1.685 -2.139 238 1HB ASN 29 2HB ASN 29 8.720 -1.921 -3.938 239 2HB ASN 29 1HB ASN 29 9.932 -3.156 -4.267 240 1HD2 ASN 29 1HD2 ASN 29 8.456 -1.600 -1.436 241 2HD2 ASN 29 2HD2 ASN 29 8.185 -3.066 -0.562 242 H ASP 30 H ASP 30 10.719 -1.120 -5.640 243 HA ASP 30 HA ASP 30 12.961 -2.536 -6.434 244 1HB ASP 30 2HB ASP 30 11.182 -0.581 -7.600 245 2HB ASP 30 1HB ASP 30 12.838 -0.283 -8.121 246 H VAL 31 H VAL 31 12.672 0.759 -5.251 247 HA VAL 31 HA VAL 31 15.250 1.682 -5.759 248 HB VAL 31 HB VAL 31 13.593 2.349 -3.326 249 1HG1 VAL 31 1HG1 VAL 31 16.061 3.401 -4.483 250 2HG1 VAL 31 2HG1 VAL 31 15.406 3.570 -2.854 251 3HG1 VAL 31 3HG1 VAL 31 14.847 4.634 -4.144 252 1HG2 VAL 31 1HG2 VAL 31 12.115 2.711 -5.102 253 2HG2 VAL 31 2HG2 VAL 31 13.393 3.298 -6.166 254 3HG2 VAL 31 3HG2 VAL 31 12.840 4.293 -4.819 255 H PHE 32 H PHE 32 13.962 -0.129 -3.018 256 HA PHE 32 HA PHE 32 16.262 -0.107 -1.417 257 1HB PHE 32 2HB PHE 32 13.700 -1.134 -1.210 258 2HB PHE 32 1HB PHE 32 14.712 -2.573 -1.232 259 HD1 PHE 32 1HD PHE 32 14.582 -3.323 0.968 260 HD2 PHE 32 2HD PHE 32 15.517 0.754 0.187 261 HE1 PHE 32 1HE PHE 32 15.106 -2.992 3.350 262 HE2 PHE 32 2HE PHE 32 16.043 1.094 2.568 263 HZ PHE 32 HZ PHE 32 15.838 -0.781 4.152 264 H ASN 33 H ASN 33 15.159 -2.381 -3.885 265 HA ASN 33 HA ASN 33 17.283 -4.227 -3.572 266 1HB ASN 33 2HB ASN 33 15.079 -4.675 -4.718 267 2HB ASN 33 1HB ASN 33 15.679 -3.743 -6.087 268 1HD2 ASN 33 1HD2 ASN 33 15.786 -6.722 -4.397 269 2HD2 ASN 33 2HD2 ASN 33 16.831 -7.560 -5.489 270 H PHE 34 H PHE 34 17.041 -1.173 -5.111 271 HA PHE 34 HA PHE 34 19.147 -1.513 -7.000 272 1HB PHE 34 2HB PHE 34 17.284 0.538 -6.280 273 2HB PHE 34 1HB PHE 34 18.903 1.229 -6.317 274 HD1 PHE 34 1HD PHE 34 18.944 2.500 -8.256 275 HD2 PHE 34 2HD PHE 34 17.470 -1.489 -8.403 276 HE1 PHE 34 1HE PHE 34 18.832 2.636 -10.710 277 HE2 PHE 34 2HE PHE 34 17.354 -1.361 -10.857 278 HZ PHE 34 HZ PHE 34 18.036 0.703 -12.014 279 H LEU 35 H LEU 35 18.947 -0.226 -3.722 280 HA LEU 35 HA LEU 35 21.852 0.179 -3.707 281 1HB LEU 35 2HB LEU 35 19.831 0.995 -1.620 282 2HB LEU 35 1HB LEU 35 21.516 1.473 -1.690 283 HG LEU 35 HG LEU 35 19.724 2.170 -3.977 284 1HD1 LEU 35 1HD1 LEU 35 18.408 2.899 -2.122 285 2HD1 LEU 35 2HD1 LEU 35 19.206 4.312 -2.812 286 3HD1 LEU 35 3HD1 LEU 35 19.819 3.591 -1.324 287 1HD2 LEU 35 1HD2 LEU 35 21.640 3.106 -4.605 288 2HD2 LEU 35 2HD2 LEU 35 22.375 2.826 -3.026 289 3HD2 LEU 35 3HD2 LEU 35 21.405 4.273 -3.304 290 H LYS 36 H LYS 36 19.308 -1.752 -2.321 291 HA LYS 36 HA LYS 36 19.322 -3.334 -0.639 292 1HB LYS 36 2HB LYS 36 21.779 -4.266 -2.118 293 2HB LYS 36 1HB LYS 36 20.587 -5.249 -1.279 294 1HG LYS 36 2HG LYS 36 19.114 -3.863 -3.173 295 2HG LYS 36 1HG LYS 36 20.609 -4.299 -4.005 296 1HD LYS 36 2HD LYS 36 19.558 -6.473 -2.388 297 2HD LYS 36 1HD LYS 36 18.412 -5.931 -3.616 298 1HE LYS 36 2HE LYS 36 21.251 -6.344 -4.405 299 2HE LYS 36 1HE LYS 36 20.240 -7.765 -4.141 300 1HZ LYS 36 1HZ LYS 36 19.380 -5.547 -5.899 301 2HZ LYS 36 2HZ LYS 36 18.792 -7.131 -5.842 302 3HZ LYS 36 3HZ LYS 36 20.329 -6.823 -6.477 303 HA PRO 37 HA PRO 37 22.909 -1.277 1.675 304 1HB PRO 37 2HB PRO 37 20.716 -0.546 3.513 305 2HB PRO 37 1HB PRO 37 22.019 0.454 2.863 306 1HG PRO 37 2HG PRO 37 19.492 0.738 2.021 307 2HG PRO 37 1HG PRO 37 20.866 0.925 0.915 308 1HD PRO 37 2HD PRO 37 19.006 -1.397 1.254 309 2HD PRO 37 1HD PRO 37 19.678 -0.698 -0.233 310 H LYS 38 H LYS 38 23.774 -3.207 2.362 311 HA LYS 38 HA LYS 38 22.482 -5.203 3.811 312 1HB LYS 38 2HB LYS 38 25.400 -4.411 3.854 313 2HB LYS 38 1HB LYS 38 24.762 -5.911 4.513 314 1HG LYS 38 2HG LYS 38 24.053 -6.623 2.322 315 2HG LYS 38 1HG LYS 38 24.557 -5.081 1.626 316 1HD LYS 38 2HD LYS 38 26.791 -6.041 3.004 317 2HD LYS 38 1HD LYS 38 26.116 -7.443 2.174 318 1HE LYS 38 2HE LYS 38 26.682 -4.804 0.834 319 2HE LYS 38 1HE LYS 38 27.812 -6.157 0.857 320 1HZ LYS 38 1HZ LYS 38 26.313 -5.929 -1.157 321 2HZ LYS 38 2HZ LYS 38 25.053 -6.459 -0.161 322 3HZ LYS 38 3HZ LYS 38 26.390 -7.457 -0.435 323 H LYS 39 H LYS 39 24.089 -2.273 4.887 324 HA LYS 39 HA LYS 39 22.857 -2.608 7.515 325 1HB LYS 39 2HB LYS 39 24.855 -2.183 8.729 326 2HB LYS 39 1HB LYS 39 25.233 -3.462 7.583 327 1HG LYS 39 2HG LYS 39 25.839 -1.105 6.237 328 2HG LYS 39 1HG LYS 39 26.416 -0.852 7.886 329 1HD LYS 39 2HD LYS 39 28.057 -2.375 7.673 330 2HD LYS 39 1HD LYS 39 27.033 -3.495 6.773 331 1HE LYS 39 2HE LYS 39 27.299 -1.969 4.789 332 2HE LYS 39 1HE LYS 39 28.519 -1.098 5.718 333 1HZ LYS 39 1HZ LYS 39 29.299 -3.684 5.936 334 2HZ LYS 39 2HZ LYS 39 29.939 -2.558 4.848 335 3HZ LYS 39 3HZ LYS 39 28.716 -3.614 4.349 336 H ARG 40 H ARG 40 22.378 -0.909 5.164 337 HA ARG 40 HA ARG 40 21.863 1.248 4.661 338 1HB ARG 40 2HB ARG 40 21.986 1.510 7.670 339 2HB ARG 40 1HB ARG 40 21.348 2.744 6.591 340 1HG ARG 40 2HG ARG 40 20.213 0.017 6.368 341 2HG ARG 40 1HG ARG 40 19.797 0.966 7.796 342 1HD ARG 40 2HD ARG 40 19.349 2.839 5.995 343 2HD ARG 40 1HD ARG 40 19.148 1.449 4.930 344 HE ARG 40 HE ARG 40 17.551 0.770 6.941 345 1HH1 ARG 40 1HH1 ARG 40 17.917 3.810 5.284 346 2HH1 ARG 40 2HH1 ARG 40 16.269 4.288 5.522 347 1HH2 ARG 40 1HH2 ARG 40 15.376 1.388 7.258 348 2HH2 ARG 40 2HH2 ARG 40 14.825 2.912 6.646 349 H LYS 41 H LYS 41 22.616 3.633 5.069 350 HA LYS 41 HA LYS 41 24.288 5.169 4.906 351 1HB LYS 41 2HB LYS 41 26.077 3.333 6.477 352 2HB LYS 41 1HB LYS 41 26.067 5.091 6.445 353 1HG LYS 41 2HG LYS 41 23.610 3.776 7.421 354 2HG LYS 41 1HG LYS 41 25.041 3.654 8.446 355 1HD LYS 41 2HD LYS 41 24.858 6.330 7.523 356 2HD LYS 41 1HD LYS 41 23.266 5.854 8.119 357 1HE LYS 41 2HE LYS 41 23.957 6.021 10.223 358 2HE LYS 41 1HE LYS 41 25.287 4.906 9.912 359 1HZ LYS 41 1HZ LYS 41 25.933 7.385 8.784 360 2HZ LYS 41 2HZ LYS 41 26.687 6.594 10.075 361 3HZ LYS 41 3HZ LYS 41 25.409 7.663 10.368 362 H ALA 42 H ALA 42 26.094 5.647 3.624 363 HA ALA 42 HA ALA 42 27.351 5.365 1.734 364 1HB ALA 42 1HB ALA 42 29.229 4.062 2.055 365 2HB ALA 42 2HB ALA 42 28.331 2.784 2.874 366 3HB ALA 42 3HB ALA 42 28.671 4.299 3.711 Start of MODEL 18 1 1H ALA 1 1HT ALA 1 32.879 -6.552 1.071 2 2H ALA 1 2HT ALA 1 31.628 -7.721 1.187 3 3H ALA 1 3HT ALA 1 33.035 -7.869 2.158 4 HA ALA 1 HA ALA 1 32.336 -6.459 3.654 5 1HB ALA 1 1HB ALA 1 32.535 -4.659 1.834 6 2HB ALA 1 2HB ALA 1 31.493 -4.328 3.217 7 3HB ALA 1 3HB ALA 1 30.785 -4.820 1.679 8 H LYS 2 H LYS 2 30.060 -5.516 4.451 9 HA LYS 2 HA LYS 2 28.329 -7.783 4.566 10 1HB LYS 2 2HB LYS 2 27.802 -4.982 5.573 11 2HB LYS 2 1HB LYS 2 27.001 -6.459 6.094 12 1HG LYS 2 2HG LYS 2 29.009 -7.261 7.120 13 2HG LYS 2 1HG LYS 2 29.937 -5.914 6.457 14 1HD LYS 2 2HD LYS 2 27.737 -4.827 7.875 15 2HD LYS 2 1HD LYS 2 28.486 -6.049 8.905 16 1HE LYS 2 2HE LYS 2 29.616 -3.511 7.831 17 2HE LYS 2 1HE LYS 2 29.721 -4.190 9.454 18 1HZ LYS 2 1HZ LYS 2 31.799 -4.673 8.781 19 2HZ LYS 2 2HZ LYS 2 31.407 -4.660 7.136 20 3HZ LYS 2 3HZ LYS 2 31.059 -6.022 8.076 21 H ILE 3 H ILE 3 25.875 -6.002 4.697 22 HA ILE 3 HA ILE 3 25.495 -5.596 1.809 23 HB ILE 3 HB ILE 3 23.238 -6.593 3.497 24 1HG1 ILE 3 2HG1 ILE 3 25.266 -8.109 3.765 25 2HG1 ILE 3 1HG1 ILE 3 23.807 -8.871 3.140 26 1HG2 ILE 3 1HG2 ILE 3 23.902 -7.024 0.589 27 2HG2 ILE 3 2HG2 ILE 3 22.891 -5.713 1.197 28 3HG2 ILE 3 3HG2 ILE 3 22.380 -7.388 1.404 29 1HD1 ILE 3 1HD1 ILE 3 25.659 -9.681 1.893 30 2HD1 ILE 3 2HD1 ILE 3 26.244 -8.045 1.590 31 3HD1 ILE 3 3HD1 ILE 3 24.742 -8.596 0.847 32 HA PRO 4 HA PRO 4 24.230 -1.975 4.762 33 1HB PRO 4 2HB PRO 4 25.944 -0.646 2.711 34 2HB PRO 4 1HB PRO 4 25.785 -0.302 4.438 35 1HG PRO 4 2HG PRO 4 27.908 -1.609 3.501 36 2HG PRO 4 1HG PRO 4 27.171 -2.054 5.050 37 1HD PRO 4 2HD PRO 4 27.034 -3.441 2.419 38 2HD PRO 4 1HD PRO 4 27.021 -4.115 4.060 39 H ILE 5 H ILE 5 24.394 -2.632 1.322 40 HA ILE 5 HA ILE 5 22.741 -0.570 0.395 41 HB ILE 5 HB ILE 5 22.628 -1.700 -1.634 42 1HG1 ILE 5 2HG1 ILE 5 23.296 -4.270 -1.597 43 2HG1 ILE 5 1HG1 ILE 5 22.682 -4.164 0.050 44 1HG2 ILE 5 1HG2 ILE 5 24.816 -1.910 -2.090 45 2HG2 ILE 5 2HG2 ILE 5 25.064 -3.131 -0.842 46 3HG2 ILE 5 3HG2 ILE 5 25.020 -1.423 -0.407 47 1HD1 ILE 5 1HD1 ILE 5 21.244 -3.941 -2.533 48 2HD1 ILE 5 2HD1 ILE 5 20.637 -3.025 -1.154 49 3HD1 ILE 5 3HD1 ILE 5 20.790 -4.778 -1.049 50 H LYS 6 H LYS 6 22.006 -3.724 1.755 51 HA LYS 6 HA LYS 6 19.224 -3.646 1.114 52 1HB LYS 6 2HB LYS 6 19.832 -5.819 1.473 53 2HB LYS 6 1HB LYS 6 21.028 -5.398 2.688 54 1HG LYS 6 2HG LYS 6 18.267 -4.923 3.530 55 2HG LYS 6 1HG LYS 6 18.639 -6.611 3.175 56 1HD LYS 6 2HD LYS 6 20.228 -6.752 4.844 57 2HD LYS 6 1HD LYS 6 20.527 -5.013 4.848 58 1HE LYS 6 2HE LYS 6 17.846 -5.288 5.557 59 2HE LYS 6 1HE LYS 6 18.680 -6.572 6.431 60 1HZ LYS 6 1HZ LYS 6 18.637 -3.810 6.980 61 2HZ LYS 6 2HZ LYS 6 20.232 -4.278 6.665 62 3HZ LYS 6 3HZ LYS 6 19.347 -5.056 7.879 63 H ALA 7 H ALA 7 21.204 -2.377 3.644 64 HA ALA 7 HA ALA 7 19.154 -2.021 5.586 65 1HB ALA 7 1HB ALA 7 20.904 -1.532 6.860 66 2HB ALA 7 2HB ALA 7 21.210 -0.076 5.913 67 3HB ALA 7 3HB ALA 7 21.947 -1.608 5.440 68 H ILE 8 H ILE 8 20.493 -0.004 3.022 69 HA ILE 8 HA ILE 8 18.987 2.319 3.736 70 HB ILE 8 HB ILE 8 21.142 2.217 2.322 71 1HG1 ILE 8 2HG1 ILE 8 19.522 4.012 0.773 72 2HG1 ILE 8 1HG1 ILE 8 18.993 4.050 2.453 73 1HG2 ILE 8 1HG2 ILE 8 21.078 1.663 0.120 74 2HG2 ILE 8 2HG2 ILE 8 19.396 2.156 -0.069 75 3HG2 ILE 8 3HG2 ILE 8 19.782 0.615 0.692 76 1HD1 ILE 8 1HD1 ILE 8 20.601 5.610 2.610 77 2HD1 ILE 8 2HD1 ILE 8 21.500 4.981 1.229 78 3HD1 ILE 8 3HD1 ILE 8 21.646 4.203 2.806 79 H LYS 9 H LYS 9 18.509 -0.409 1.586 80 HA LYS 9 HA LYS 9 16.247 0.656 0.234 81 1HB LYS 9 2HB LYS 9 16.914 -2.263 0.610 82 2HB LYS 9 1HB LYS 9 15.967 -1.538 -0.683 83 1HG LYS 9 2HG LYS 9 18.636 -0.415 -0.514 84 2HG LYS 9 1HG LYS 9 18.650 -2.161 -0.769 85 1HD LYS 9 2HD LYS 9 17.199 -0.109 -2.438 86 2HD LYS 9 1HD LYS 9 18.641 -1.015 -2.903 87 1HE LYS 9 2HE LYS 9 17.069 -3.069 -2.313 88 2HE LYS 9 1HE LYS 9 15.813 -1.897 -2.712 89 1HZ LYS 9 1HZ LYS 9 17.971 -2.930 -4.449 90 2HZ LYS 9 2HZ LYS 9 17.134 -1.508 -4.825 91 3HZ LYS 9 3HZ LYS 9 16.299 -2.975 -4.709 92 H THR 10 H THR 10 16.711 -1.250 3.150 93 HA THR 10 HA THR 10 13.982 -1.919 3.539 94 HB THR 10 HB THR 10 16.291 -1.724 5.480 95 HG1 THR 10 1HG THR 10 15.365 -3.632 3.754 96 1HG2 THR 10 1HG2 THR 10 15.016 -2.271 7.207 97 2HG2 THR 10 2HG2 THR 10 14.126 -3.472 6.270 98 3HG2 THR 10 3HG2 THR 10 13.640 -1.777 6.222 99 H VAL 11 H VAL 11 16.030 0.698 4.751 100 HA VAL 11 HA VAL 11 13.988 1.935 6.290 101 HB VAL 11 HB VAL 11 15.529 3.898 6.290 102 1HG1 VAL 11 1HG1 VAL 11 15.951 2.610 8.117 103 2HG1 VAL 11 2HG1 VAL 11 17.500 2.435 7.294 104 3HG1 VAL 11 3HG1 VAL 11 16.281 1.167 7.158 105 1HG2 VAL 11 1HG2 VAL 11 17.762 3.632 5.317 106 2HG2 VAL 11 2HG2 VAL 11 16.506 3.598 4.079 107 3HG2 VAL 11 3HG2 VAL 11 17.264 2.096 4.608 108 H GLY 12 H GLY 12 15.348 2.495 3.076 109 1HA GLY 12 2HA GLY 12 13.743 4.747 2.450 110 2HA GLY 12 1HA GLY 12 14.586 3.727 1.290 111 H LYS 13 H LYS 13 13.193 1.321 2.372 112 HA LYS 13 HA LYS 13 10.837 1.536 0.701 113 1HB LYS 13 2HB LYS 13 12.286 -0.708 2.056 114 2HB LYS 13 1HB LYS 13 10.624 -0.949 1.537 115 1HG LYS 13 2HG LYS 13 13.041 -0.376 -0.141 116 2HG LYS 13 1HG LYS 13 11.931 -1.746 -0.228 117 1HD LYS 13 2HD LYS 13 10.150 0.066 -0.772 118 2HD LYS 13 1HD LYS 13 11.546 1.068 -1.173 119 1HE LYS 13 2HE LYS 13 12.241 -1.079 -2.548 120 2HE LYS 13 1HE LYS 13 10.503 -1.374 -2.515 121 1HZ LYS 13 1HZ LYS 13 11.701 1.182 -3.424 122 2HZ LYS 13 2HZ LYS 13 10.096 0.679 -3.596 123 3HZ LYS 13 3HZ LYS 13 11.322 -0.090 -4.473 124 H ALA 14 H ALA 14 11.647 1.743 4.024 125 HA ALA 14 HA ALA 14 9.135 0.938 5.102 126 1HB ALA 14 1HB ALA 14 11.653 1.922 6.110 127 2HB ALA 14 2HB ALA 14 10.431 0.935 6.912 128 3HB ALA 14 3HB ALA 14 10.294 2.693 6.928 129 H VAL 15 H VAL 15 10.583 4.077 4.340 130 HA VAL 15 HA VAL 15 8.293 5.581 5.141 131 HB VAL 15 HB VAL 15 10.453 6.468 3.224 132 1HG1 VAL 15 1HG1 VAL 15 9.782 8.637 3.631 133 2HG1 VAL 15 2HG1 VAL 15 9.010 8.224 5.162 134 3HG1 VAL 15 3HG1 VAL 15 8.241 7.779 3.638 135 1HG2 VAL 15 1HG2 VAL 15 10.736 7.325 5.992 136 2HG2 VAL 15 2HG2 VAL 15 11.938 6.667 4.881 137 3HG2 VAL 15 3HG2 VAL 15 10.891 5.579 5.794 138 H GLY 16 H GLY 16 9.550 4.382 2.072 139 1HA GLY 16 2HA GLY 16 7.520 5.559 0.458 140 2HA GLY 16 1HA GLY 16 8.608 4.265 -0.025 141 H LYS 17 H LYS 17 7.794 2.549 2.228 142 HA LYS 17 HA LYS 17 5.610 1.246 0.939 143 1HB LYS 17 2HB LYS 17 7.117 -0.193 2.029 144 2HB LYS 17 1HB LYS 17 7.116 0.773 3.498 145 1HG LYS 17 2HG LYS 17 4.477 -0.242 2.860 146 2HG LYS 17 1HG LYS 17 5.668 -1.531 3.044 147 1HD LYS 17 2HD LYS 17 6.068 -1.032 5.251 148 2HD LYS 17 1HD LYS 17 5.608 0.661 5.062 149 1HE LYS 17 2HE LYS 17 3.911 -0.378 6.358 150 2HE LYS 17 1HE LYS 17 3.243 -0.123 4.746 151 1HZ LYS 17 1HZ LYS 17 4.541 -2.678 5.135 152 2HZ LYS 17 2HZ LYS 17 3.069 -2.314 4.385 153 3HZ LYS 17 3HZ LYS 17 3.149 -2.448 6.069 154 H GLY 18 H GLY 18 5.950 3.354 3.727 155 1HA GLY 18 2HA GLY 18 3.392 2.970 4.842 156 2HA GLY 18 1HA GLY 18 4.385 4.408 5.039 157 H LEU 19 H LEU 19 4.554 5.521 2.646 158 HA LEU 19 HA LEU 19 1.941 6.591 2.231 159 1HB LEU 19 2HB LEU 19 2.945 8.159 0.864 160 2HB LEU 19 1HB LEU 19 4.252 7.731 1.951 161 HG LEU 19 HG LEU 19 4.849 6.011 0.040 162 1HD1 LEU 19 1HD1 LEU 19 3.927 8.126 -1.788 163 2HD1 LEU 19 2HD1 LEU 19 2.672 7.072 -1.137 164 3HD1 LEU 19 3HD1 LEU 19 4.031 6.381 -2.024 165 1HD2 LEU 19 1HD2 LEU 19 6.401 7.660 0.735 166 2HD2 LEU 19 2HD2 LEU 19 5.426 8.964 0.058 167 3HD2 LEU 19 3HD2 LEU 19 6.246 7.827 -1.013 168 H ARG 20 H ARG 20 4.032 4.355 0.487 169 HA ARG 20 HA ARG 20 2.503 4.136 -1.858 170 1HB ARG 20 2HB ARG 20 4.815 3.285 -1.627 171 2HB ARG 20 1HB ARG 20 4.229 2.022 -0.552 172 1HG ARG 20 2HG ARG 20 4.649 1.533 -3.078 173 2HG ARG 20 1HG ARG 20 3.253 0.837 -2.253 174 1HD ARG 20 2HD ARG 20 2.476 1.691 -4.327 175 2HD ARG 20 1HD ARG 20 1.918 2.798 -3.075 176 HE ARG 20 HE ARG 20 4.156 4.002 -3.814 177 1HH1 ARG 20 1HH1 ARG 20 1.663 2.550 -5.770 178 2HH1 ARG 20 2HH1 ARG 20 1.901 3.631 -7.102 179 1HH2 ARG 20 1HH2 ARG 20 4.468 5.434 -5.560 180 2HH2 ARG 20 2HH2 ARG 20 3.491 5.272 -6.981 181 H ALA 21 H ALA 21 2.293 2.526 1.261 182 HA ALA 21 HA ALA 21 0.372 0.589 0.521 183 1HB ALA 21 1HB ALA 21 1.477 1.635 3.049 184 2HB ALA 21 2HB ALA 21 1.226 -0.029 2.522 185 3HB ALA 21 3HB ALA 21 -0.128 0.911 3.149 186 H ILE 22 H ILE 22 0.136 3.893 1.719 187 HA ILE 22 HA ILE 22 -2.689 3.896 2.033 188 HB ILE 22 HB ILE 22 -0.697 6.135 1.665 189 1HG1 ILE 22 2HG1 ILE 22 -2.377 5.468 4.079 190 2HG1 ILE 22 1HG1 ILE 22 -0.794 4.747 3.809 191 1HG2 ILE 22 1HG2 ILE 22 -2.828 7.432 2.612 192 2HG2 ILE 22 2HG2 ILE 22 -3.653 6.194 1.665 193 3HG2 ILE 22 3HG2 ILE 22 -2.495 7.273 0.887 194 1HD1 ILE 22 1HD1 ILE 22 -1.471 7.623 4.312 195 2HD1 ILE 22 2HD1 ILE 22 0.091 7.119 3.665 196 3HD1 ILE 22 3HD1 ILE 22 -0.431 6.553 5.252 197 H ASN 23 H ASN 23 -0.596 3.953 -0.629 198 HA ASN 23 HA ASN 23 -2.301 5.318 -2.463 199 1HB ASN 23 2HB ASN 23 -0.409 5.346 -3.646 200 2HB ASN 23 1HB ASN 23 0.357 4.366 -2.419 201 1HD2 ASN 23 1HD2 ASN 23 -0.841 4.514 -5.603 202 2HD2 ASN 23 2HD2 ASN 23 -0.475 2.890 -6.064 203 H ILE 24 H ILE 24 -1.226 1.956 -2.348 204 HA ILE 24 HA ILE 24 -3.029 0.878 -4.126 205 HB ILE 24 HB ILE 24 -2.787 -1.251 -2.781 206 1HG1 ILE 24 2HG1 ILE 24 -0.820 -1.053 -1.093 207 2HG1 ILE 24 1HG1 ILE 24 -1.264 0.649 -1.027 208 1HG2 ILE 24 1HG2 ILE 24 -0.024 -0.340 -3.137 209 2HG2 ILE 24 2HG2 ILE 24 -1.083 -0.057 -4.519 210 3HG2 ILE 24 3HG2 ILE 24 -0.881 -1.690 -3.882 211 1HD1 ILE 24 1HD1 ILE 24 -2.255 -1.158 0.635 212 2HD1 ILE 24 2HD1 ILE 24 -3.433 -1.323 -0.667 213 3HD1 ILE 24 3HD1 ILE 24 -3.180 0.243 0.100 214 H ALA 25 H ALA 25 -3.419 2.044 -0.916 215 HA ALA 25 HA ALA 25 -5.990 0.811 -0.543 216 1HB ALA 25 1HB ALA 25 -5.496 1.125 1.601 217 2HB ALA 25 2HB ALA 25 -5.572 2.870 1.357 218 3HB ALA 25 3HB ALA 25 -4.045 2.015 1.143 219 H SER 26 H SER 26 -4.634 3.817 -1.621 220 HA SER 26 HA SER 26 -7.104 5.292 -1.474 221 1HB SER 26 2HB SER 26 -4.351 5.831 -2.519 222 2HB SER 26 1HB SER 26 -5.682 6.851 -3.066 223 HG SER 26 HG SER 26 -5.669 6.432 -0.361 224 H THR 27 H THR 27 -5.584 3.157 -3.691 225 HA THR 27 HA THR 27 -7.023 4.046 -6.017 226 HB THR 27 HB THR 27 -5.405 1.547 -5.491 227 HG1 THR 27 1HG THR 27 -3.869 2.633 -6.765 228 1HG2 THR 27 1HG2 THR 27 -5.290 1.596 -8.076 229 2HG2 THR 27 2HG2 THR 27 -6.812 2.480 -7.949 230 3HG2 THR 27 3HG2 THR 27 -6.677 0.854 -7.277 231 H ALA 28 H ALA 28 -7.219 1.284 -3.797 232 HA ALA 28 HA ALA 28 -9.513 0.144 -5.050 233 1HB ALA 28 1HB ALA 28 -8.930 -1.564 -3.755 234 2HB ALA 28 2HB ALA 28 -9.392 -0.643 -2.324 235 3HB ALA 28 3HB ALA 28 -7.742 -0.548 -2.939 236 H ASN 29 H ASN 29 -9.026 2.719 -2.838 237 HA ASN 29 HA ASN 29 -11.616 2.684 -1.633 238 1HB ASN 29 2HB ASN 29 -9.309 4.574 -1.688 239 2HB ASN 29 1HB ASN 29 -10.880 5.192 -1.188 240 1HD2 ASN 29 1HD2 ASN 29 -8.528 4.989 0.407 241 2HD2 ASN 29 2HD2 ASN 29 -8.887 3.927 1.721 242 H ASP 30 H ASP 30 -10.203 5.199 -3.695 243 HA ASP 30 HA ASP 30 -12.424 6.540 -4.450 244 1HB ASP 30 2HB ASP 30 -9.941 5.840 -5.982 245 2HB ASP 30 1HB ASP 30 -11.224 6.767 -6.754 246 H VAL 31 H VAL 31 -11.338 3.439 -5.675 247 HA VAL 31 HA VAL 31 -13.259 3.209 -7.756 248 HB VAL 31 HB VAL 31 -11.539 1.196 -6.321 249 1HG1 VAL 31 1HG1 VAL 31 -13.902 0.699 -7.924 250 2HG1 VAL 31 2HG1 VAL 31 -12.939 -0.414 -6.953 251 3HG1 VAL 31 3HG1 VAL 31 -12.461 -0.049 -8.610 252 1HG2 VAL 31 1HG2 VAL 31 -10.937 1.135 -8.990 253 2HG2 VAL 31 2HG2 VAL 31 -10.068 2.061 -7.766 254 3HG2 VAL 31 3HG2 VAL 31 -11.329 2.834 -8.728 255 H PHE 32 H PHE 32 -13.028 1.619 -4.587 256 HA PHE 32 HA PHE 32 -15.475 0.339 -4.584 257 1HB PHE 32 2HB PHE 32 -14.595 -0.350 -2.643 258 2HB PHE 32 1HB PHE 32 -13.436 0.970 -2.661 259 HD1 PHE 32 1HD PHE 32 -14.132 3.187 -1.659 260 HD2 PHE 32 2HD PHE 32 -16.351 -0.401 -1.103 261 HE1 PHE 32 1HE PHE 32 -15.235 4.177 0.306 262 HE2 PHE 32 2HE PHE 32 -17.459 0.583 0.862 263 HZ PHE 32 HZ PHE 32 -16.902 2.875 1.568 264 H ASN 33 H ASN 33 -14.721 3.696 -4.009 265 HA ASN 33 HA ASN 33 -17.342 4.364 -3.021 266 1HB ASN 33 2HB ASN 33 -14.788 5.720 -3.378 267 2HB ASN 33 1HB ASN 33 -16.147 6.730 -3.861 268 1HD2 ASN 33 1HD2 ASN 33 -14.216 6.610 -1.495 269 2HD2 ASN 33 2HD2 ASN 33 -15.252 6.769 -0.122 270 H PHE 34 H PHE 34 -15.730 4.224 -6.094 271 HA PHE 34 HA PHE 34 -17.648 5.826 -7.504 272 1HB PHE 34 2HB PHE 34 -15.529 3.901 -8.486 273 2HB PHE 34 1HB PHE 34 -16.515 4.911 -9.540 274 HD1 PHE 34 1HD PHE 34 -16.435 7.241 -7.380 275 HD2 PHE 34 2HD PHE 34 -13.502 4.914 -9.405 276 HE1 PHE 34 1HE PHE 34 -14.815 9.077 -7.136 277 HE2 PHE 34 2HE PHE 34 -11.877 6.746 -9.164 278 HZ PHE 34 HZ PHE 34 -12.533 8.830 -8.028 279 H LEU 35 H LEU 35 -17.305 2.478 -6.652 280 HA LEU 35 HA LEU 35 -19.680 1.810 -8.255 281 1HB LEU 35 2HB LEU 35 -18.010 -0.309 -7.006 282 2HB LEU 35 1HB LEU 35 -18.911 -0.339 -8.509 283 HG LEU 35 HG LEU 35 -16.366 1.237 -8.150 284 1HD1 LEU 35 1HD1 LEU 35 -15.715 -1.006 -7.818 285 2HD1 LEU 35 2HD1 LEU 35 -15.359 -0.640 -9.506 286 3HD1 LEU 35 3HD1 LEU 35 -16.789 -1.585 -9.092 287 1HD2 LEU 35 1HD2 LEU 35 -18.181 1.639 -10.017 288 2HD2 LEU 35 2HD2 LEU 35 -17.404 0.236 -10.750 289 3HD2 LEU 35 3HD2 LEU 35 -16.458 1.680 -10.390 290 H LYS 36 H LYS 36 -18.165 0.641 -5.260 291 HA LYS 36 HA LYS 36 -19.003 0.198 -3.192 292 1HB LYS 36 2HB LYS 36 -20.262 2.557 -3.991 293 2HB LYS 36 1HB LYS 36 -21.567 1.534 -3.407 294 1HG LYS 36 2HG LYS 36 -21.045 2.165 -1.353 295 2HG LYS 36 1HG LYS 36 -19.533 1.270 -1.518 296 1HD LYS 36 2HD LYS 36 -18.308 3.143 -1.771 297 2HD LYS 36 1HD LYS 36 -19.538 3.932 -2.762 298 1HE LYS 36 2HE LYS 36 -20.562 3.674 -0.127 299 2HE LYS 36 1HE LYS 36 -18.934 4.341 -0.013 300 1HZ LYS 36 1HZ LYS 36 -20.914 5.929 -0.324 301 2HZ LYS 36 2HZ LYS 36 -20.862 5.451 -1.946 302 3HZ LYS 36 3HZ LYS 36 -19.515 6.191 -1.240 303 HA PRO 37 HA PRO 37 -21.505 -3.249 -4.872 304 1HB PRO 37 2HB PRO 37 -20.325 -4.575 -2.510 305 2HB PRO 37 1HB PRO 37 -20.325 -5.084 -4.201 306 1HG PRO 37 2HG PRO 37 -18.103 -4.165 -3.021 307 2HG PRO 37 1HG PRO 37 -18.463 -3.819 -4.722 308 1HD PRO 37 2HD PRO 37 -18.763 -2.056 -2.322 309 2HD PRO 37 1HD PRO 37 -18.198 -1.651 -3.957 310 H LYS 38 H LYS 38 -23.215 -4.537 -3.881 311 HA LYS 38 HA LYS 38 -24.869 -3.012 -2.188 312 1HB LYS 38 2HB LYS 38 -26.153 -5.263 -2.029 313 2HB LYS 38 1HB LYS 38 -26.041 -4.449 -3.583 314 1HG LYS 38 2HG LYS 38 -24.457 -5.969 -4.394 315 2HG LYS 38 1HG LYS 38 -24.093 -6.582 -2.779 316 1HD LYS 38 2HD LYS 38 -25.868 -7.982 -2.769 317 2HD LYS 38 1HD LYS 38 -26.897 -6.849 -3.648 318 1HE LYS 38 2HE LYS 38 -24.866 -8.773 -4.734 319 2HE LYS 38 1HE LYS 38 -26.582 -8.652 -5.118 320 1HZ LYS 38 1HZ LYS 38 -24.338 -7.156 -6.180 321 2HZ LYS 38 2HZ LYS 38 -25.722 -6.239 -5.856 322 3HZ LYS 38 3HZ LYS 38 -25.812 -7.562 -6.906 323 H LYS 39 H LYS 39 -23.197 -2.665 -0.483 324 HA LYS 39 HA LYS 39 -22.109 -3.215 1.482 325 1HB LYS 39 2HB LYS 39 -25.037 -3.637 1.771 326 2HB LYS 39 1HB LYS 39 -24.016 -4.163 3.102 327 1HG LYS 39 2HG LYS 39 -24.556 -2.008 3.709 328 2HG LYS 39 1HG LYS 39 -22.986 -1.797 2.931 329 1HD LYS 39 2HD LYS 39 -23.965 -0.260 1.641 330 2HD LYS 39 1HD LYS 39 -24.806 -1.594 0.848 331 1HE LYS 39 2HE LYS 39 -26.300 -1.174 3.121 332 2HE LYS 39 1HE LYS 39 -25.826 0.457 2.651 333 1HZ LYS 39 1HZ LYS 39 -27.220 0.417 0.936 334 2HZ LYS 39 2HZ LYS 39 -27.894 -0.982 1.607 335 3HZ LYS 39 3HZ LYS 39 -26.695 -1.108 0.421 336 H ARG 40 H ARG 40 -20.664 -4.844 1.005 337 HA ARG 40 HA ARG 40 -21.610 -7.596 1.457 338 1HB ARG 40 2HB ARG 40 -19.422 -6.475 -0.267 339 2HB ARG 40 1HB ARG 40 -19.366 -8.149 0.267 340 1HG ARG 40 2HG ARG 40 -21.940 -7.830 -0.716 341 2HG ARG 40 1HG ARG 40 -20.920 -6.930 -1.841 342 1HD ARG 40 2HD ARG 40 -19.603 -8.834 -2.319 343 2HD ARG 40 1HD ARG 40 -20.272 -9.730 -0.956 344 HE ARG 40 HE ARG 40 -22.096 -10.280 -2.244 345 1HH1 ARG 40 1HH1 ARG 40 -20.235 -7.804 -3.837 346 2HH1 ARG 40 2HH1 ARG 40 -21.098 -7.935 -5.333 347 1HH2 ARG 40 1HH2 ARG 40 -23.242 -10.461 -4.208 348 2HH2 ARG 40 2HH2 ARG 40 -22.812 -9.444 -5.543 349 H LYS 41 H LYS 41 -21.401 -7.533 3.708 350 HA LYS 41 HA LYS 41 -18.619 -7.628 4.648 351 1HB LYS 41 2HB LYS 41 -20.906 -6.320 6.132 352 2HB LYS 41 1HB LYS 41 -19.258 -6.491 6.720 353 1HG LYS 41 2HG LYS 41 -18.519 -4.740 5.534 354 2HG LYS 41 1HG LYS 41 -19.500 -5.148 4.124 355 1HD LYS 41 2HD LYS 41 -20.942 -3.549 4.674 356 2HD LYS 41 1HD LYS 41 -21.261 -4.368 6.205 357 1HE LYS 41 2HE LYS 41 -18.870 -2.592 5.847 358 2HE LYS 41 1HE LYS 41 -20.448 -1.929 6.270 359 1HZ LYS 41 1HZ LYS 41 -18.609 -3.515 7.872 360 2HZ LYS 41 2HZ LYS 41 -20.252 -3.864 8.068 361 3HZ LYS 41 3HZ LYS 41 -19.683 -2.295 8.344 362 H ALA 42 H ALA 42 -21.834 -8.052 6.123 363 HA ALA 42 HA ALA 42 -21.153 -10.159 7.790 364 1HB ALA 42 1HB ALA 42 -23.230 -8.836 7.958 365 2HB ALA 42 2HB ALA 42 -23.521 -10.574 8.022 366 3HB ALA 42 3HB ALA 42 -23.854 -9.679 6.540 Start of MODEL 19 1 1H ALA 1 1HT ALA 1 -27.878 5.171 0.477 2 2H ALA 1 2HT ALA 1 -27.868 3.886 1.615 3 3H ALA 1 3HT ALA 1 -29.284 4.218 0.705 4 HA ALA 1 HA ALA 1 -28.155 3.643 -1.303 5 1HB ALA 1 1HB ALA 1 -25.915 4.192 -0.876 6 2HB ALA 1 2HB ALA 1 -25.934 2.433 -1.000 7 3HB ALA 1 3HB ALA 1 -25.861 3.204 0.584 8 H LYS 2 H LYS 2 -29.661 2.100 -1.568 9 HA LYS 2 HA LYS 2 -29.391 -0.349 0.047 10 1HB LYS 2 2HB LYS 2 -31.742 -0.682 -0.039 11 2HB LYS 2 1HB LYS 2 -31.493 0.997 0.421 12 1HG LYS 2 2HG LYS 2 -32.008 0.169 -2.417 13 2HG LYS 2 1HG LYS 2 -33.307 0.530 -1.280 14 1HD LYS 2 2HD LYS 2 -31.400 2.627 -1.121 15 2HD LYS 2 1HD LYS 2 -31.746 2.337 -2.827 16 1HE LYS 2 2HE LYS 2 -33.952 2.924 -2.621 17 2HE LYS 2 1HE LYS 2 -34.027 2.464 -0.920 18 1HZ LYS 2 1HZ LYS 2 -34.133 4.891 -1.317 19 2HZ LYS 2 2HZ LYS 2 -32.559 4.837 -1.934 20 3HZ LYS 2 3HZ LYS 2 -32.847 4.432 -0.318 21 H ILE 3 H ILE 3 -29.473 1.027 -3.098 22 HA ILE 3 HA ILE 3 -29.829 -1.578 -4.379 23 HB ILE 3 HB ILE 3 -29.341 0.983 -5.869 24 1HG1 ILE 3 2HG1 ILE 3 -32.149 0.188 -5.517 25 2HG1 ILE 3 1HG1 ILE 3 -31.380 0.776 -4.047 26 1HG2 ILE 3 1HG2 ILE 3 -29.791 -1.683 -6.600 27 2HG2 ILE 3 2HG2 ILE 3 -29.734 -0.271 -7.654 28 3HG2 ILE 3 3HG2 ILE 3 -31.275 -0.813 -6.987 29 1HD1 ILE 3 1HD1 ILE 3 -31.489 2.877 -4.738 30 2HD1 ILE 3 2HD1 ILE 3 -32.527 2.301 -6.043 31 3HD1 ILE 3 3HD1 ILE 3 -30.791 2.474 -6.306 32 HA PRO 4 HA PRO 4 -25.395 -0.472 -5.701 33 1HB PRO 4 2HB PRO 4 -24.275 1.840 -4.996 34 2HB PRO 4 1HB PRO 4 -25.475 1.772 -6.292 35 1HG PRO 4 2HG PRO 4 -25.768 2.720 -3.484 36 2HG PRO 4 1HG PRO 4 -26.542 3.319 -4.960 37 1HD PRO 4 2HD PRO 4 -27.669 1.559 -3.070 38 2HD PRO 4 1HD PRO 4 -28.310 1.931 -4.680 39 H ILE 5 H ILE 5 -26.406 -1.186 -2.883 40 HA ILE 5 HA ILE 5 -24.617 -0.592 -0.898 41 HB ILE 5 HB ILE 5 -25.238 -2.679 0.161 42 1HG1 ILE 5 2HG1 ILE 5 -26.312 -3.399 -2.568 43 2HG1 ILE 5 1HG1 ILE 5 -25.050 -4.230 -1.665 44 1HG2 ILE 5 1HG2 ILE 5 -27.761 -2.475 -0.095 45 2HG2 ILE 5 2HG2 ILE 5 -27.423 -1.216 -1.283 46 3HG2 ILE 5 3HG2 ILE 5 -26.884 -1.022 0.385 47 1HD1 ILE 5 1HD1 ILE 5 -27.935 -4.512 -1.534 48 2HD1 ILE 5 2HD1 ILE 5 -27.186 -4.320 0.051 49 3HD1 ILE 5 3HD1 ILE 5 -26.660 -5.617 -1.022 50 H LYS 6 H LYS 6 -24.377 -3.235 -3.256 51 HA LYS 6 HA LYS 6 -21.967 -4.316 -2.324 52 1HB LYS 6 2HB LYS 6 -23.491 -4.432 -4.877 53 2HB LYS 6 1HB LYS 6 -21.811 -4.950 -4.916 54 1HG LYS 6 2HG LYS 6 -24.060 -6.094 -3.288 55 2HG LYS 6 1HG LYS 6 -23.109 -6.885 -4.547 56 1HD LYS 6 2HD LYS 6 -21.234 -6.018 -2.680 57 2HD LYS 6 1HD LYS 6 -22.578 -6.632 -1.714 58 1HE LYS 6 2HE LYS 6 -22.339 -8.772 -2.491 59 2HE LYS 6 1HE LYS 6 -21.652 -8.251 -4.029 60 1HZ LYS 6 1HZ LYS 6 -19.715 -8.859 -3.147 61 2HZ LYS 6 2HZ LYS 6 -20.330 -8.927 -1.574 62 3HZ LYS 6 3HZ LYS 6 -19.805 -7.451 -2.212 63 H ALA 7 H ALA 7 -22.630 -1.467 -4.144 64 HA ALA 7 HA ALA 7 -20.031 -1.162 -5.291 65 1HB ALA 7 1HB ALA 7 -20.800 0.822 -6.181 66 2HB ALA 7 2HB ALA 7 -21.853 1.153 -4.806 67 3HB ALA 7 3HB ALA 7 -22.302 -0.081 -5.983 68 H ILE 8 H ILE 8 -21.650 0.045 -2.397 69 HA ILE 8 HA ILE 8 -19.613 1.802 -1.570 70 HB ILE 8 HB ILE 8 -20.811 2.118 0.361 71 1HG1 ILE 8 2HG1 ILE 8 -22.414 0.198 1.189 72 2HG1 ILE 8 1HG1 ILE 8 -21.339 -0.828 0.246 73 1HG2 ILE 8 1HG2 ILE 8 -23.047 2.288 -0.219 74 2HG2 ILE 8 2HG2 ILE 8 -23.029 0.778 -1.129 75 3HG2 ILE 8 3HG2 ILE 8 -22.238 2.212 -1.785 76 1HD1 ILE 8 1HD1 ILE 8 -19.849 -0.831 1.877 77 2HD1 ILE 8 2HD1 ILE 8 -20.991 0.076 2.869 78 3HD1 ILE 8 3HD1 ILE 8 -19.798 0.932 1.892 79 H LYS 9 H LYS 9 -20.173 -1.623 -0.973 80 HA LYS 9 HA LYS 9 -18.121 -1.942 0.956 81 1HB LYS 9 2HB LYS 9 -19.169 -4.063 -0.921 82 2HB LYS 9 1HB LYS 9 -18.420 -4.305 0.652 83 1HG LYS 9 2HG LYS 9 -20.755 -2.596 0.810 84 2HG LYS 9 1HG LYS 9 -21.123 -4.177 0.117 85 1HD LYS 9 2HD LYS 9 -20.855 -5.211 2.081 86 2HD LYS 9 1HD LYS 9 -19.362 -4.338 2.429 87 1HE LYS 9 2HE LYS 9 -20.419 -2.737 3.628 88 2HE LYS 9 1HE LYS 9 -21.854 -2.769 2.604 89 1HZ LYS 9 1HZ LYS 9 -21.660 -5.211 3.977 90 2HZ LYS 9 2HZ LYS 9 -22.863 -4.028 4.099 91 3HZ LYS 9 3HZ LYS 9 -21.502 -3.956 5.101 92 H THR 10 H THR 10 -18.245 -2.183 -2.548 93 HA THR 10 HA THR 10 -15.743 -3.315 -3.015 94 HB THR 10 HB THR 10 -17.199 -1.273 -4.704 95 HG1 THR 10 1HG THR 10 -17.250 -4.081 -4.991 96 1HG2 THR 10 1HG2 THR 10 -14.981 -1.495 -5.547 97 2HG2 THR 10 2HG2 THR 10 -16.066 -2.405 -6.598 98 3HG2 THR 10 3HG2 THR 10 -15.057 -3.253 -5.427 99 H VAL 11 H VAL 11 -16.670 0.057 -2.515 100 HA VAL 11 HA VAL 11 -14.154 1.188 -3.086 101 HB VAL 11 HB VAL 11 -16.392 2.182 -1.324 102 1HG1 VAL 11 1HG1 VAL 11 -14.307 3.187 -0.591 103 2HG1 VAL 11 2HG1 VAL 11 -15.293 4.379 -1.439 104 3HG1 VAL 11 3HG1 VAL 11 -13.916 3.635 -2.251 105 1HG2 VAL 11 1HG2 VAL 11 -16.985 3.565 -3.180 106 2HG2 VAL 11 2HG2 VAL 11 -16.818 1.912 -3.773 107 3HG2 VAL 11 3HG2 VAL 11 -15.537 3.088 -4.067 108 H GLY 12 H GLY 12 -15.637 0.207 -0.016 109 1HA GLY 12 2HA GLY 12 -13.535 0.944 1.675 110 2HA GLY 12 1HA GLY 12 -14.698 -0.331 2.011 111 H LYS 13 H LYS 13 -13.851 -1.740 -0.499 112 HA LYS 13 HA LYS 13 -11.710 -3.257 0.711 113 1HB LYS 13 2HB LYS 13 -12.720 -3.793 -2.052 114 2HB LYS 13 1HB LYS 13 -12.190 -4.929 -0.820 115 1HG LYS 13 2HG LYS 13 -14.402 -3.738 0.315 116 2HG LYS 13 1HG LYS 13 -14.838 -3.899 -1.387 117 1HD LYS 13 2HD LYS 13 -14.154 -6.292 -1.266 118 2HD LYS 13 1HD LYS 13 -13.916 -6.088 0.471 119 1HE LYS 13 2HE LYS 13 -16.057 -6.894 0.449 120 2HE LYS 13 1HE LYS 13 -16.376 -5.162 0.364 121 1HZ LYS 13 1HZ LYS 13 -16.016 -6.267 -2.230 122 2HZ LYS 13 2HZ LYS 13 -17.334 -5.410 -1.606 123 3HZ LYS 13 3HZ LYS 13 -17.241 -7.086 -1.398 124 H ALA 14 H ALA 14 -12.151 -1.060 -1.996 125 HA ALA 14 HA ALA 14 -9.577 -1.524 -3.146 126 1HB ALA 14 1HB ALA 14 -10.879 -0.607 -4.752 127 2HB ALA 14 2HB ALA 14 -10.223 0.898 -4.110 128 3HB ALA 14 3HB ALA 14 -11.818 0.344 -3.602 129 H VAL 15 H VAL 15 -10.868 0.652 -0.731 130 HA VAL 15 HA VAL 15 -8.522 2.308 -0.611 131 HB VAL 15 HB VAL 15 -10.784 2.057 1.379 132 1HG1 VAL 15 1HG1 VAL 15 -8.893 4.368 1.010 133 2HG1 VAL 15 2HG1 VAL 15 -8.613 3.075 2.176 134 3HG1 VAL 15 3HG1 VAL 15 -10.043 4.097 2.320 135 1HG2 VAL 15 1HG2 VAL 15 -10.961 4.469 -0.039 136 2HG2 VAL 15 2HG2 VAL 15 -12.048 3.084 -0.132 137 3HG2 VAL 15 3HG2 VAL 15 -10.688 3.213 -1.247 138 H GLY 16 H GLY 16 -9.735 -0.529 1.040 139 1HA GLY 16 2HA GLY 16 -7.784 -0.442 3.150 140 2HA GLY 16 1HA GLY 16 -8.865 -1.778 2.781 141 H LYS 17 H LYS 17 -8.022 -1.930 -0.012 142 HA LYS 17 HA LYS 17 -5.639 -3.529 0.413 143 1HB LYS 17 2HB LYS 17 -7.219 -4.635 -0.922 144 2HB LYS 17 1HB LYS 17 -7.572 -3.193 -1.862 145 1HG LYS 17 2HG LYS 17 -4.883 -4.509 -1.966 146 2HG LYS 17 1HG LYS 17 -6.224 -5.051 -2.976 147 1HD LYS 17 2HD LYS 17 -6.272 -2.343 -3.357 148 2HD LYS 17 1HD LYS 17 -4.544 -2.664 -3.196 149 1HE LYS 17 2HE LYS 17 -4.480 -3.460 -5.267 150 2HE LYS 17 1HE LYS 17 -5.686 -4.677 -4.853 151 1HZ LYS 17 1HZ LYS 17 -7.057 -3.629 -6.220 152 2HZ LYS 17 2HZ LYS 17 -5.973 -2.351 -6.445 153 3HZ LYS 17 3HZ LYS 17 -7.071 -2.311 -5.159 154 H GLY 18 H GLY 18 -6.598 -0.568 -1.207 155 1HA GLY 18 2HA GLY 18 -4.185 -0.217 -2.680 156 2HA GLY 18 1HA GLY 18 -5.367 1.034 -2.317 157 H LEU 19 H LEU 19 -5.328 0.992 0.445 158 HA LEU 19 HA LEU 19 -2.996 2.527 0.984 159 1HB LEU 19 2HB LEU 19 -4.769 3.273 2.233 160 2HB LEU 19 1HB LEU 19 -5.394 1.659 2.509 161 HG LEU 19 HG LEU 19 -3.748 1.246 4.220 162 1HD1 LEU 19 1HD1 LEU 19 -2.550 3.776 4.592 163 2HD1 LEU 19 2HD1 LEU 19 -2.330 3.332 2.899 164 3HD1 LEU 19 3HD1 LEU 19 -1.774 2.248 4.175 165 1HD2 LEU 19 1HD2 LEU 19 -5.842 2.932 4.477 166 2HD2 LEU 19 2HD2 LEU 19 -4.525 3.966 5.031 167 3HD2 LEU 19 3HD2 LEU 19 -4.821 2.415 5.818 168 H ARG 20 H ARG 20 -4.077 -0.721 1.853 169 HA ARG 20 HA ARG 20 -2.054 -1.387 3.644 170 1HB ARG 20 2HB ARG 20 -4.064 -2.775 3.224 171 2HB ARG 20 1HB ARG 20 -3.404 -3.225 1.658 172 1HG ARG 20 2HG ARG 20 -3.130 -4.823 3.679 173 2HG ARG 20 1HG ARG 20 -1.775 -4.569 2.576 174 1HD ARG 20 2HD ARG 20 -0.901 -4.440 4.779 175 2HD ARG 20 1HD ARG 20 -0.959 -2.792 4.156 176 HE ARG 20 HE ARG 20 -3.326 -3.107 5.481 177 1HH1 ARG 20 1HH1 ARG 20 0.035 -3.456 6.325 178 2HH1 ARG 20 2HH1 ARG 20 -0.203 -3.022 7.985 179 1HH2 ARG 20 1HH2 ARG 20 -3.651 -2.533 7.663 180 2HH2 ARG 20 2HH2 ARG 20 -2.300 -2.497 8.746 181 H ALA 21 H ALA 21 -2.112 -1.435 0.128 182 HA ALA 21 HA ALA 21 0.350 -2.765 -0.242 183 1HB ALA 21 1HB ALA 21 -0.347 -0.774 -2.279 184 2HB ALA 21 2HB ALA 21 -1.635 -1.921 -1.909 185 3HB ALA 21 3HB ALA 21 -0.058 -2.506 -2.441 186 H ILE 22 H ILE 22 -0.517 0.644 0.025 187 HA ILE 22 HA ILE 22 2.104 1.644 -0.393 188 HB ILE 22 HB ILE 22 -0.396 2.797 0.811 189 1HG1 ILE 22 2HG1 ILE 22 -0.527 4.052 -1.129 190 2HG1 ILE 22 1HG1 ILE 22 1.213 4.023 -1.391 191 1HG2 ILE 22 1HG2 ILE 22 1.041 4.993 0.802 192 2HG2 ILE 22 2HG2 ILE 22 2.374 3.865 1.054 193 3HG2 ILE 22 3HG2 ILE 22 1.037 3.921 2.203 194 1HD1 ILE 22 1HD1 ILE 22 0.987 1.598 -1.971 195 2HD1 ILE 22 2HD1 ILE 22 0.213 2.718 -3.092 196 3HD1 ILE 22 3HD1 ILE 22 -0.762 1.824 -1.924 197 H ASN 23 H ASN 23 0.708 -0.119 2.101 198 HA ASN 23 HA ASN 23 2.144 0.987 4.302 199 1HB ASN 23 2HB ASN 23 0.728 -0.273 5.467 200 2HB ASN 23 1HB ASN 23 0.038 -0.811 3.956 201 1HD2 ASN 23 1HD2 ASN 23 2.216 -1.569 6.557 202 2HD2 ASN 23 2HD2 ASN 23 2.338 -3.261 6.233 203 H ILE 24 H ILE 24 2.388 -2.191 2.726 204 HA ILE 24 HA ILE 24 4.869 -2.852 3.854 205 HB ILE 24 HB ILE 24 5.096 -4.509 2.072 206 1HG1 ILE 24 2HG1 ILE 24 3.767 -2.739 0.485 207 2HG1 ILE 24 1HG1 ILE 24 4.033 -4.431 0.084 208 1HG2 ILE 24 1HG2 ILE 24 3.268 -5.875 2.669 209 2HG2 ILE 24 2HG2 ILE 24 2.238 -4.480 2.984 210 3HG2 ILE 24 3HG2 ILE 24 3.588 -4.840 4.060 211 1HD1 ILE 24 1HD1 ILE 24 1.814 -4.906 1.180 212 2HD1 ILE 24 2HD1 ILE 24 1.761 -3.991 -0.327 213 3HD1 ILE 24 3HD1 ILE 24 1.563 -3.161 1.217 214 H ALA 25 H ALA 25 3.921 -0.808 1.277 215 HA ALA 25 HA ALA 25 6.548 -0.626 0.117 216 1HB ALA 25 1HB ALA 25 3.883 0.553 -0.469 217 2HB ALA 25 2HB ALA 25 5.017 -0.261 -1.546 218 3HB ALA 25 3HB ALA 25 5.315 1.404 -1.048 219 H SER 26 H SER 26 4.676 0.870 2.582 220 HA SER 26 HA SER 26 6.114 3.349 2.673 221 1HB SER 26 2HB SER 26 3.942 2.070 4.171 222 2HB SER 26 1HB SER 26 5.017 3.033 5.184 223 HG SER 26 HG SER 26 4.334 4.802 4.242 224 H THR 27 H THR 27 6.331 0.248 4.338 225 HA THR 27 HA THR 27 8.396 1.104 6.134 226 HB THR 27 HB THR 27 7.605 -1.718 5.393 227 HG1 THR 27 1HG THR 27 6.605 -0.036 7.445 228 1HG2 THR 27 1HG2 THR 27 8.617 -2.465 7.318 229 2HG2 THR 27 2HG2 THR 27 8.630 -0.864 8.058 230 3HG2 THR 27 3HG2 THR 27 9.753 -1.240 6.751 231 H ALA 28 H ALA 28 8.251 -0.484 3.013 232 HA ALA 28 HA ALA 28 11.063 -1.112 2.959 233 1HB ALA 28 1HB ALA 28 8.743 -1.534 1.196 234 2HB ALA 28 2HB ALA 28 10.086 -2.609 1.587 235 3HB ALA 28 3HB ALA 28 10.293 -1.343 0.377 236 H ASN 29 H ASN 29 9.127 1.614 2.283 237 HA ASN 29 HA ASN 29 10.754 2.836 0.303 238 1HB ASN 29 2HB ASN 29 8.852 4.029 0.215 239 2HB ASN 29 1HB ASN 29 8.361 3.483 1.812 240 1HD2 ASN 29 1HD2 ASN 29 7.717 5.254 2.812 241 2HD2 ASN 29 2HD2 ASN 29 8.637 6.705 2.986 242 H ASP 30 H ASP 30 10.289 3.793 3.700 243 HA ASP 30 HA ASP 30 12.395 5.536 3.940 244 1HB ASP 30 2HB ASP 30 10.871 5.364 5.758 245 2HB ASP 30 1HB ASP 30 11.190 3.644 5.958 246 H VAL 31 H VAL 31 12.429 2.027 4.243 247 HA VAL 31 HA VAL 31 15.105 1.728 5.061 248 HB VAL 31 HB VAL 31 13.273 -0.133 3.552 249 1HG1 VAL 31 1HG1 VAL 31 15.141 -1.759 4.655 250 2HG1 VAL 31 2HG1 VAL 31 16.128 -0.377 4.182 251 3HG1 VAL 31 3HG1 VAL 31 15.154 -1.216 2.976 252 1HG2 VAL 31 1HG2 VAL 31 12.483 -0.756 5.537 253 2HG2 VAL 31 2HG2 VAL 31 13.286 0.668 6.198 254 3HG2 VAL 31 3HG2 VAL 31 14.103 -0.894 6.222 255 H PHE 32 H PHE 32 13.611 1.554 1.861 256 HA PHE 32 HA PHE 32 15.932 1.062 0.382 257 1HB PHE 32 2HB PHE 32 13.927 0.705 -0.768 258 2HB PHE 32 1HB PHE 32 13.264 2.264 -0.290 259 HD1 PHE 32 1HD PHE 32 15.641 0.578 -2.537 260 HD2 PHE 32 2HD PHE 32 13.663 4.220 -1.573 261 HE1 PHE 32 1HE PHE 32 16.372 1.537 -4.681 262 HE2 PHE 32 2HE PHE 32 14.389 5.186 -3.716 263 HZ PHE 32 HZ PHE 32 15.746 3.844 -5.274 264 H ASN 33 H ASN 33 15.007 3.854 2.062 265 HA ASN 33 HA ASN 33 16.881 5.490 0.482 266 1HB ASN 33 2HB ASN 33 14.484 6.267 0.548 267 2HB ASN 33 1HB ASN 33 14.685 6.529 2.278 268 1HD2 ASN 33 1HD2 ASN 33 14.397 8.718 2.200 269 2HD2 ASN 33 2HD2 ASN 33 15.531 9.797 1.469 270 H PHE 34 H PHE 34 16.646 3.794 3.296 271 HA PHE 34 HA PHE 34 18.199 5.703 4.879 272 1HB PHE 34 2HB PHE 34 16.303 4.610 5.994 273 2HB PHE 34 1HB PHE 34 17.019 3.034 5.670 274 HD1 PHE 34 1HD PHE 34 16.651 5.560 8.054 275 HD2 PHE 34 2HD PHE 34 19.494 2.766 6.563 276 HE1 PHE 34 1HE PHE 34 17.892 5.696 10.175 277 HE2 PHE 34 2HE PHE 34 20.739 2.896 8.680 278 HZ PHE 34 HZ PHE 34 19.939 4.362 10.490 279 H LEU 35 H LEU 35 18.355 2.296 3.886 280 HA LEU 35 HA LEU 35 21.263 2.377 4.304 281 1HB LEU 35 2HB LEU 35 20.900 -0.205 4.001 282 2HB LEU 35 1HB LEU 35 20.585 0.578 5.538 283 HG LEU 35 HG LEU 35 18.284 0.398 3.691 284 1HD1 LEU 35 1HD1 LEU 35 18.059 -2.014 4.864 285 2HD1 LEU 35 2HD1 LEU 35 19.801 -1.958 4.595 286 3HD1 LEU 35 3HD1 LEU 35 18.693 -1.770 3.236 287 1HD2 LEU 35 1HD2 LEU 35 18.470 1.247 6.163 288 2HD2 LEU 35 2HD2 LEU 35 18.335 -0.470 6.543 289 3HD2 LEU 35 3HD2 LEU 35 17.058 0.335 5.632 290 H LYS 36 H LYS 36 18.751 1.671 1.964 291 HA LYS 36 HA LYS 36 18.896 0.899 -0.219 292 1HB LYS 36 2HB LYS 36 20.133 2.661 -1.599 293 2HB LYS 36 1HB LYS 36 18.806 3.217 -0.590 294 1HG LYS 36 2HG LYS 36 21.361 3.297 0.790 295 2HG LYS 36 1HG LYS 36 21.345 4.273 -0.679 296 1HD LYS 36 2HD LYS 36 19.054 4.459 1.226 297 2HD LYS 36 1HD LYS 36 20.564 5.290 1.608 298 1HE LYS 36 2HE LYS 36 20.164 5.962 -1.018 299 2HE LYS 36 1HE LYS 36 18.520 5.920 -0.385 300 1HZ LYS 36 1HZ LYS 36 19.839 8.095 -0.233 301 2HZ LYS 36 2HZ LYS 36 20.648 7.363 1.060 302 3HZ LYS 36 3HZ LYS 36 18.973 7.590 1.131 303 HA PRO 37 HA PRO 37 23.020 -1.124 -0.089 304 1HB PRO 37 2HB PRO 37 22.215 -3.665 0.145 305 2HB PRO 37 1HB PRO 37 22.277 -2.585 1.541 306 1HG PRO 37 2HG PRO 37 19.925 -3.497 -0.042 307 2HG PRO 37 1HG PRO 37 20.056 -3.174 1.694 308 1HD PRO 37 2HD PRO 37 18.995 -1.439 -0.232 309 2HD PRO 37 1HD PRO 37 19.470 -1.001 1.419 310 H LYS 38 H LYS 38 21.182 -3.746 -1.388 311 HA LYS 38 HA LYS 38 21.054 -4.670 -3.456 312 1HB LYS 38 2HB LYS 38 20.591 -1.830 -3.854 313 2HB LYS 38 1HB LYS 38 21.322 -2.573 -5.270 314 1HG LYS 38 2HG LYS 38 19.059 -2.799 -5.676 315 2HG LYS 38 1HG LYS 38 19.491 -4.368 -4.993 316 1HD LYS 38 2HD LYS 38 18.123 -4.080 -3.256 317 2HD LYS 38 1HD LYS 38 18.773 -2.472 -2.928 318 1HE LYS 38 2HE LYS 38 16.383 -2.376 -3.411 319 2HE LYS 38 1HE LYS 38 17.317 -1.526 -4.642 320 1HZ LYS 38 1HZ LYS 38 16.962 -3.218 -6.182 321 2HZ LYS 38 2HZ LYS 38 15.462 -3.061 -5.417 322 3HZ LYS 38 3HZ LYS 38 16.491 -4.340 -5.006 323 H LYS 39 H LYS 39 23.188 -1.903 -4.059 324 HA LYS 39 HA LYS 39 25.202 -3.763 -5.107 325 1HB LYS 39 2HB LYS 39 25.281 -0.776 -5.441 326 2HB LYS 39 1HB LYS 39 26.039 -2.013 -6.434 327 1HG LYS 39 2HG LYS 39 24.339 -1.745 -7.836 328 2HG LYS 39 1HG LYS 39 23.347 -2.582 -6.640 329 1HD LYS 39 2HD LYS 39 22.159 -0.737 -6.284 330 2HD LYS 39 1HD LYS 39 23.623 0.164 -5.886 331 1HE LYS 39 2HE LYS 39 22.467 -0.273 -8.637 332 2HE LYS 39 1HE LYS 39 22.463 1.235 -7.722 333 1HZ LYS 39 1HZ LYS 39 24.809 -0.177 -8.860 334 2HZ LYS 39 2HZ LYS 39 24.943 1.110 -7.770 335 3HZ LYS 39 3HZ LYS 39 24.222 1.353 -9.280 336 H ARG 40 H ARG 40 24.466 -1.937 -2.386 337 HA ARG 40 HA ARG 40 25.660 -1.757 -0.425 338 1HB ARG 40 2HB ARG 40 27.189 -3.577 -1.735 339 2HB ARG 40 1HB ARG 40 28.320 -2.236 -1.614 340 1HG ARG 40 2HG ARG 40 27.067 -2.555 0.911 341 2HG ARG 40 1HG ARG 40 27.613 -4.139 0.359 342 1HD ARG 40 2HD ARG 40 29.429 -1.771 0.170 343 2HD ARG 40 1HD ARG 40 29.233 -2.615 1.706 344 HE ARG 40 HE ARG 40 29.769 -4.587 -0.111 345 1HH1 ARG 40 1HH1 ARG 40 31.357 -1.662 0.912 346 2HH1 ARG 40 2HH1 ARG 40 32.951 -2.261 0.594 347 1HH2 ARG 40 1HH2 ARG 40 31.863 -5.389 -0.531 348 2HH2 ARG 40 2HH2 ARG 40 33.238 -4.381 -0.228 349 H LYS 41 H LYS 41 25.063 0.483 -0.831 350 HA LYS 41 HA LYS 41 25.474 2.705 -1.262 351 1HB LYS 41 2HB LYS 41 27.678 1.656 0.446 352 2HB LYS 41 1HB LYS 41 27.819 3.302 -0.155 353 1HG LYS 41 2HG LYS 41 25.488 2.231 1.421 354 2HG LYS 41 1HG LYS 41 26.816 3.187 2.082 355 1HD LYS 41 2HD LYS 41 26.063 5.121 1.159 356 2HD LYS 41 1HD LYS 41 25.398 4.311 -0.261 357 1HE LYS 41 2HE LYS 41 23.400 4.650 0.679 358 2HE LYS 41 1HE LYS 41 23.836 3.346 1.782 359 1HZ LYS 41 1HZ LYS 41 24.631 6.120 2.377 360 2HZ LYS 41 2HZ LYS 41 24.404 4.825 3.441 361 3HZ LYS 41 3HZ LYS 41 23.067 5.588 2.742 362 H ALA 42 H ALA 42 25.896 1.488 -3.595 363 HA ALA 42 HA ALA 42 26.924 1.683 -5.615 364 1HB ALA 42 1HB ALA 42 26.692 4.025 -5.394 365 2HB ALA 42 2HB ALA 42 28.348 3.746 -5.933 366 3HB ALA 42 3HB ALA 42 28.023 4.122 -4.241 Start of MODEL 20 1 1H ALA 1 1HT ALA 1 -30.735 3.579 -1.142 2 2H ALA 1 2HT ALA 1 -30.495 1.968 -1.684 3 3H ALA 1 3HT ALA 1 -29.863 2.470 -0.169 4 HA ALA 1 HA ALA 1 -31.762 2.248 0.875 5 1HB ALA 1 1HB ALA 1 -33.515 2.727 -1.481 6 2HB ALA 1 2HB ALA 1 -32.636 4.091 -0.789 7 3HB ALA 1 3HB ALA 1 -33.752 3.161 0.211 8 H LYS 2 H LYS 2 -31.552 0.095 1.218 9 HA LYS 2 HA LYS 2 -32.289 -2.080 1.130 10 1HB LYS 2 2HB LYS 2 -33.507 -1.627 -1.575 11 2HB LYS 2 1HB LYS 2 -33.993 -2.758 -0.319 12 1HG LYS 2 2HG LYS 2 -34.589 0.140 -0.597 13 2HG LYS 2 1HG LYS 2 -35.653 -1.198 -0.157 14 1HD LYS 2 2HD LYS 2 -34.081 -1.305 1.956 15 2HD LYS 2 1HD LYS 2 -33.777 0.381 1.534 16 1HE LYS 2 2HE LYS 2 -36.349 0.575 1.419 17 2HE LYS 2 1HE LYS 2 -36.350 -0.933 2.332 18 1HZ LYS 2 1HZ LYS 2 -34.642 0.478 3.776 19 2HZ LYS 2 2HZ LYS 2 -36.310 0.499 4.057 20 3HZ LYS 2 3HZ LYS 2 -35.587 1.746 3.173 21 H ILE 3 H ILE 3 -29.885 -0.812 -0.217 22 HA ILE 3 HA ILE 3 -28.957 -3.253 -1.471 23 HB ILE 3 HB ILE 3 -28.312 -0.884 -3.105 24 1HG1 ILE 3 2HG1 ILE 3 -31.061 -2.149 -3.170 25 2HG1 ILE 3 1HG1 ILE 3 -30.695 -0.489 -2.710 26 1HG2 ILE 3 1HG2 ILE 3 -27.552 -2.560 -4.345 27 2HG2 ILE 3 2HG2 ILE 3 -29.223 -3.035 -4.652 28 3HG2 ILE 3 3HG2 ILE 3 -28.338 -3.747 -3.304 29 1HD1 ILE 3 1HD1 ILE 3 -31.142 0.020 -4.823 30 2HD1 ILE 3 2HD1 ILE 3 -31.046 -1.664 -5.339 31 3HD1 ILE 3 3HD1 ILE 3 -29.577 -0.696 -5.206 32 HA PRO 4 HA PRO 4 -25.877 -0.826 1.118 33 1HB PRO 4 2HB PRO 4 -25.450 -3.511 2.267 34 2HB PRO 4 1HB PRO 4 -25.711 -1.968 3.085 35 1HG PRO 4 2HG PRO 4 -27.605 -3.869 3.032 36 2HG PRO 4 1HG PRO 4 -28.011 -2.144 2.973 37 1HD PRO 4 2HD PRO 4 -27.938 -4.154 0.758 38 2HD PRO 4 1HD PRO 4 -29.095 -2.839 1.051 39 H ILE 5 H ILE 5 -25.892 -3.745 -0.761 40 HA ILE 5 HA ILE 5 -23.317 -4.581 -0.876 41 HB ILE 5 HB ILE 5 -24.988 -4.152 -3.350 42 1HG1 ILE 5 2HG1 ILE 5 -25.179 -6.811 -2.323 43 2HG1 ILE 5 1HG1 ILE 5 -25.591 -5.687 -1.033 44 1HG2 ILE 5 1HG2 ILE 5 -22.423 -5.221 -2.982 45 2HG2 ILE 5 2HG2 ILE 5 -23.419 -5.279 -4.436 46 3HG2 ILE 5 3HG2 ILE 5 -23.492 -6.594 -3.264 47 1HD1 ILE 5 1HD1 ILE 5 -27.529 -5.121 -1.988 48 2HD1 ILE 5 2HD1 ILE 5 -27.320 -6.613 -2.904 49 3HD1 ILE 5 3HD1 ILE 5 -26.833 -5.071 -3.607 50 H LYS 6 H LYS 6 -24.485 -2.368 -3.390 51 HA LYS 6 HA LYS 6 -22.119 -1.540 -4.415 52 1HB LYS 6 2HB LYS 6 -24.693 -0.043 -4.006 53 2HB LYS 6 1HB LYS 6 -23.319 0.722 -4.794 54 1HG LYS 6 2HG LYS 6 -24.059 -0.144 -6.695 55 2HG LYS 6 1HG LYS 6 -23.571 -1.723 -6.078 56 1HD LYS 6 2HD LYS 6 -25.864 -1.787 -4.945 57 2HD LYS 6 1HD LYS 6 -26.285 -0.434 -5.998 58 1HE LYS 6 2HE LYS 6 -26.179 -1.713 -7.909 59 2HE LYS 6 1HE LYS 6 -25.073 -2.883 -7.192 60 1HZ LYS 6 1HZ LYS 6 -27.323 -3.770 -7.514 61 2HZ LYS 6 2HZ LYS 6 -27.937 -2.596 -6.463 62 3HZ LYS 6 3HZ LYS 6 -26.868 -3.772 -5.884 63 H ALA 7 H ALA 7 -23.450 -0.678 -1.328 64 HA ALA 7 HA ALA 7 -21.690 1.548 -0.888 65 1HB ALA 7 1HB ALA 7 -23.984 1.147 0.184 66 2HB ALA 7 2HB ALA 7 -22.690 1.766 1.211 67 3HB ALA 7 3HB ALA 7 -23.131 0.059 1.279 68 H ILE 8 H ILE 8 -21.811 -1.833 0.139 69 HA ILE 8 HA ILE 8 -19.431 -1.662 1.716 70 HB ILE 8 HB ILE 8 -21.263 -3.370 2.035 71 1HG1 ILE 8 2HG1 ILE 8 -18.535 -4.606 1.673 72 2HG1 ILE 8 1HG1 ILE 8 -18.908 -3.488 2.982 73 1HG2 ILE 8 1HG2 ILE 8 -21.827 -4.749 0.396 74 2HG2 ILE 8 2HG2 ILE 8 -20.178 -5.369 0.315 75 3HG2 ILE 8 3HG2 ILE 8 -20.641 -3.968 -0.649 76 1HD1 ILE 8 1HD1 ILE 8 -19.570 -5.232 4.170 77 2HD1 ILE 8 2HD1 ILE 8 -19.433 -6.301 2.774 78 3HD1 ILE 8 3HD1 ILE 8 -20.927 -5.408 3.058 79 H LYS 9 H LYS 9 -20.172 -2.348 -1.611 80 HA LYS 9 HA LYS 9 -17.612 -3.487 -2.235 81 1HB LYS 9 2HB LYS 9 -19.477 -2.299 -4.270 82 2HB LYS 9 1HB LYS 9 -18.379 -3.662 -4.444 83 1HG LYS 9 2HG LYS 9 -20.065 -4.524 -2.471 84 2HG LYS 9 1HG LYS 9 -21.138 -3.581 -3.506 85 1HD LYS 9 2HD LYS 9 -21.133 -5.870 -4.255 86 2HD LYS 9 1HD LYS 9 -20.314 -4.871 -5.456 87 1HE LYS 9 2HE LYS 9 -18.171 -5.614 -4.724 88 2HE LYS 9 1HE LYS 9 -18.865 -6.410 -3.311 89 1HZ LYS 9 1HZ LYS 9 -19.937 -7.310 -5.835 90 2HZ LYS 9 2HZ LYS 9 -19.414 -8.207 -4.500 91 3HZ LYS 9 3HZ LYS 9 -18.290 -7.638 -5.629 92 H THR 10 H THR 10 -19.080 -0.296 -2.370 93 HA THR 10 HA THR 10 -16.980 0.920 -3.873 94 HB THR 10 HB THR 10 -19.353 1.800 -3.592 95 HG1 THR 10 1HG THR 10 -18.439 4.054 -3.294 96 1HG2 THR 10 1HG2 THR 10 -19.348 3.555 -1.647 97 2HG2 THR 10 2HG2 THR 10 -18.283 2.376 -0.883 98 3HG2 THR 10 3HG2 THR 10 -19.906 1.903 -1.386 99 H VAL 11 H VAL 11 -17.552 0.281 -0.497 100 HA VAL 11 HA VAL 11 -15.450 2.011 0.436 101 HB VAL 11 HB VAL 11 -17.142 -0.088 1.779 102 1HG1 VAL 11 1HG1 VAL 11 -15.847 1.194 3.825 103 2HG1 VAL 11 2HG1 VAL 11 -14.561 0.970 2.639 104 3HG1 VAL 11 3HG1 VAL 11 -15.470 -0.422 3.228 105 1HG2 VAL 11 1HG2 VAL 11 -17.253 2.365 3.112 106 2HG2 VAL 11 2HG2 VAL 11 -18.485 1.659 2.065 107 3HG2 VAL 11 3HG2 VAL 11 -17.281 2.760 1.393 108 H GLY 12 H GLY 12 -15.824 -1.344 -0.466 109 1HA GLY 12 2HA GLY 12 -13.389 -2.291 0.641 110 2HA GLY 12 1HA GLY 12 -14.310 -3.066 -0.642 111 H LYS 13 H LYS 13 -14.218 -0.684 -2.361 112 HA LYS 13 HA LYS 13 -11.590 -1.192 -3.493 113 1HB LYS 13 2HB LYS 13 -12.399 0.253 -5.369 114 2HB LYS 13 1HB LYS 13 -13.395 -1.164 -5.069 115 1HG LYS 13 2HG LYS 13 -15.083 0.297 -5.201 116 2HG LYS 13 1HG LYS 13 -14.653 0.670 -3.533 117 1HD LYS 13 2HD LYS 13 -14.838 2.741 -4.694 118 2HD LYS 13 1HD LYS 13 -13.119 2.444 -4.425 119 1HE LYS 13 2HE LYS 13 -12.716 1.980 -6.651 120 2HE LYS 13 1HE LYS 13 -14.392 1.537 -6.968 121 1HZ LYS 13 1HZ LYS 13 -14.066 4.274 -6.156 122 2HZ LYS 13 2HZ LYS 13 -14.916 3.632 -7.470 123 3HZ LYS 13 3HZ LYS 13 -13.252 3.909 -7.594 124 H ALA 14 H ALA 14 -13.200 1.222 -1.640 125 HA ALA 14 HA ALA 14 -11.465 3.397 -2.264 126 1HB ALA 14 1HB ALA 14 -12.480 4.510 -0.353 127 2HB ALA 14 2HB ALA 14 -13.204 2.989 0.168 128 3HB ALA 14 3HB ALA 14 -13.718 3.738 -1.344 129 H VAL 15 H VAL 15 -11.654 1.077 0.403 130 HA VAL 15 HA VAL 15 -9.384 2.050 1.790 131 HB VAL 15 HB VAL 15 -10.706 -0.665 1.826 132 1HG1 VAL 15 1HG1 VAL 15 -9.170 -0.163 4.173 133 2HG1 VAL 15 2HG1 VAL 15 -8.132 0.032 2.761 134 3HG1 VAL 15 3HG1 VAL 15 -9.012 -1.476 3.006 135 1HG2 VAL 15 1HG2 VAL 15 -12.235 0.471 2.994 136 2HG2 VAL 15 2HG2 VAL 15 -11.183 1.875 3.174 137 3HG2 VAL 15 3HG2 VAL 15 -11.034 0.513 4.285 138 H GLY 16 H GLY 16 -9.877 -0.496 -0.608 139 1HA GLY 16 2HA GLY 16 -7.278 -1.549 -0.631 140 2HA GLY 16 1HA GLY 16 -8.407 -1.603 -1.979 141 H LYS 17 H LYS 17 -8.596 1.352 -2.042 142 HA LYS 17 HA LYS 17 -6.390 1.809 -3.819 143 1HB LYS 17 2HB LYS 17 -8.280 2.872 -4.601 144 2HB LYS 17 1HB LYS 17 -8.830 3.307 -2.990 145 1HG LYS 17 2HG LYS 17 -6.351 4.599 -3.964 146 2HG LYS 17 1HG LYS 17 -7.873 5.088 -4.712 147 1HD LYS 17 2HD LYS 17 -8.419 5.017 -1.985 148 2HD LYS 17 1HD LYS 17 -6.809 5.731 -2.098 149 1HE LYS 17 2HE LYS 17 -8.600 6.807 -4.101 150 2HE LYS 17 1HE LYS 17 -9.242 7.023 -2.473 151 1HZ LYS 17 1HZ LYS 17 -7.749 8.839 -3.351 152 2HZ LYS 17 2HZ LYS 17 -6.463 7.754 -3.182 153 3HZ LYS 17 3HZ LYS 17 -7.354 8.226 -1.824 154 H GLY 18 H GLY 18 -7.506 3.405 -0.841 155 1HA GLY 18 2HA GLY 18 -5.254 5.058 -0.517 156 2HA GLY 18 1HA GLY 18 -6.357 4.582 0.766 157 H LEU 19 H LEU 19 -5.823 1.721 0.325 158 HA LEU 19 HA LEU 19 -3.570 1.490 2.076 159 1HB LEU 19 2HB LEU 19 -5.133 -0.126 2.551 160 2HB LEU 19 1HB LEU 19 -5.544 -0.378 0.865 161 HG LEU 19 HG LEU 19 -3.308 -1.525 0.597 162 1HD1 LEU 19 1HD1 LEU 19 -2.940 -0.541 3.212 163 2HD1 LEU 19 2HD1 LEU 19 -1.844 -1.543 2.260 164 3HD1 LEU 19 3HD1 LEU 19 -3.026 -2.298 3.330 165 1HD2 LEU 19 1HD2 LEU 19 -5.728 -2.502 1.311 166 2HD2 LEU 19 2HD2 LEU 19 -4.725 -3.109 2.628 167 3HD2 LEU 19 3HD2 LEU 19 -4.319 -3.502 0.957 168 H ARG 20 H ARG 20 -4.229 0.625 -1.298 169 HA ARG 20 HA ARG 20 -1.716 -0.548 -1.781 170 1HB ARG 20 2HB ARG 20 -3.991 -0.459 -3.196 171 2HB ARG 20 1HB ARG 20 -3.106 0.811 -4.029 172 1HG ARG 20 2HG ARG 20 -2.974 -1.614 -4.907 173 2HG ARG 20 1HG ARG 20 -1.503 -0.643 -4.830 174 1HD ARG 20 2HD ARG 20 -0.589 -1.915 -3.198 175 2HD ARG 20 1HD ARG 20 -2.140 -2.208 -2.413 176 HE ARG 20 HE ARG 20 -2.219 -4.194 -3.507 177 1HH1 ARG 20 1HH1 ARG 20 -0.226 -2.018 -5.355 178 2HH1 ARG 20 2HH1 ARG 20 0.202 -3.208 -6.538 179 1HH2 ARG 20 1HH2 ARG 20 -1.665 -5.769 -5.061 180 2HH2 ARG 20 2HH2 ARG 20 -0.616 -5.341 -6.371 181 H ALA 21 H ALA 21 -2.868 2.763 -2.007 182 HA ALA 21 HA ALA 21 -0.577 3.806 -3.301 183 1HB ALA 21 1HB ALA 21 -2.900 4.912 -2.873 184 2HB ALA 21 2HB ALA 21 -1.452 5.919 -2.879 185 3HB ALA 21 3HB ALA 21 -2.174 5.423 -1.349 186 H ILE 22 H ILE 22 -1.434 3.185 0.033 187 HA ILE 22 HA ILE 22 0.847 4.417 1.201 188 HB ILE 22 HB ILE 22 -1.025 2.274 2.213 189 1HG1 ILE 22 2HG1 ILE 22 -1.765 4.724 1.871 190 2HG1 ILE 22 1HG1 ILE 22 -2.094 3.971 3.429 191 1HG2 ILE 22 1HG2 ILE 22 1.198 3.671 3.693 192 2HG2 ILE 22 2HG2 ILE 22 1.146 1.964 3.250 193 3HG2 ILE 22 3HG2 ILE 22 -0.008 2.608 4.419 194 1HD1 ILE 22 1HD1 ILE 22 -1.258 6.274 3.623 195 2HD1 ILE 22 2HD1 ILE 22 0.246 5.770 2.851 196 3HD1 ILE 22 3HD1 ILE 22 -0.211 5.097 4.416 197 H ASN 23 H ASN 23 0.304 1.552 -0.556 198 HA ASN 23 HA ASN 23 2.356 -0.065 0.546 199 1HB ASN 23 2HB ASN 23 1.365 -1.584 -0.731 200 2HB ASN 23 1HB ASN 23 0.304 -0.339 -1.339 201 1HD2 ASN 23 1HD2 ASN 23 0.205 -0.243 -3.454 202 2HD2 ASN 23 2HD2 ASN 23 1.458 -0.687 -4.558 203 H ILE 24 H ILE 24 2.215 1.498 -2.654 204 HA ILE 24 HA ILE 24 4.963 1.199 -3.154 205 HB ILE 24 HB ILE 24 4.709 2.888 -4.895 206 1HG1 ILE 24 2HG1 ILE 24 2.922 4.123 -3.341 207 2HG1 ILE 24 1HG1 ILE 24 2.979 4.358 -5.083 208 1HG2 ILE 24 1HG2 ILE 24 2.638 0.748 -4.673 209 2HG2 ILE 24 2HG2 ILE 24 4.120 0.769 -5.628 210 3HG2 ILE 24 3HG2 ILE 24 2.747 1.766 -6.109 211 1HD1 ILE 24 1HD1 ILE 24 0.730 4.037 -4.599 212 2HD1 ILE 24 2HD1 ILE 24 1.062 2.719 -3.476 213 3HD1 ILE 24 3HD1 ILE 24 1.263 2.472 -5.210 214 H ALA 25 H ALA 25 3.189 3.259 -1.134 215 HA ALA 25 HA ALA 25 5.234 5.287 -0.956 216 1HB ALA 25 1HB ALA 25 3.042 6.134 -0.688 217 2HB ALA 25 2HB ALA 25 3.747 6.134 0.929 218 3HB ALA 25 3HB ALA 25 2.613 4.866 0.461 219 H SER 26 H SER 26 4.307 2.316 0.526 220 HA SER 26 HA SER 26 5.827 2.743 2.950 221 1HB SER 26 2HB SER 26 4.300 0.436 1.776 222 2HB SER 26 1HB SER 26 5.416 0.159 3.114 223 HG SER 26 HG SER 26 3.204 1.940 3.087 224 H THR 27 H THR 27 6.224 1.047 -0.114 225 HA THR 27 HA THR 27 8.683 -0.202 0.498 226 HB THR 27 HB THR 27 7.011 -0.517 -1.520 227 HG1 THR 27 1HG THR 27 8.846 -1.809 -1.154 228 1HG2 THR 27 1HG2 THR 27 8.982 1.455 -2.635 229 2HG2 THR 27 2HG2 THR 27 7.224 1.588 -2.607 230 3HG2 THR 27 3HG2 THR 27 8.000 0.369 -3.617 231 H ALA 28 H ALA 28 7.834 2.886 -0.974 232 HA ALA 28 HA ALA 28 10.309 3.811 -1.752 233 1HB ALA 28 1HB ALA 28 9.201 6.099 -0.851 234 2HB ALA 28 2HB ALA 28 7.774 5.067 -0.943 235 3HB ALA 28 3HB ALA 28 8.766 5.329 -2.377 236 H ASN 29 H ASN 29 8.865 3.851 1.474 237 HA ASN 29 HA ASN 29 10.958 5.334 2.694 238 1HB ASN 29 2HB ASN 29 8.640 3.728 3.649 239 2HB ASN 29 1HB ASN 29 9.937 4.048 4.798 240 1HD2 ASN 29 1HD2 ASN 29 7.973 5.744 2.379 241 2HD2 ASN 29 2HD2 ASN 29 7.750 7.178 3.316 242 H ASP 30 H ASP 30 10.127 1.894 3.058 243 HA ASP 30 HA ASP 30 12.424 1.075 4.349 244 1HB ASP 30 2HB ASP 30 10.229 -0.192 2.998 245 2HB ASP 30 1HB ASP 30 11.725 -1.012 2.563 246 H VAL 31 H VAL 31 11.845 1.592 0.929 247 HA VAL 31 HA VAL 31 14.186 0.453 -0.099 248 HB VAL 31 HB VAL 31 12.515 2.753 -1.110 249 1HG1 VAL 31 1HG1 VAL 31 15.093 1.752 -2.037 250 2HG1 VAL 31 2HG1 VAL 31 14.251 3.252 -2.426 251 3HG1 VAL 31 3HG1 VAL 31 13.851 1.766 -3.288 252 1HG2 VAL 31 1HG2 VAL 31 11.835 0.161 -0.962 253 2HG2 VAL 31 2HG2 VAL 31 12.657 0.165 -2.522 254 3HG2 VAL 31 3HG2 VAL 31 11.283 1.236 -2.246 255 H PHE 32 H PHE 32 13.485 3.819 0.768 256 HA PHE 32 HA PHE 32 15.972 4.920 0.229 257 1HB PHE 32 2HB PHE 32 13.904 6.193 0.823 258 2HB PHE 32 1HB PHE 32 14.148 5.721 2.503 259 HD1 PHE 32 1HD PHE 32 14.990 7.396 3.811 260 HD2 PHE 32 2HD PHE 32 16.283 7.099 -0.231 261 HE1 PHE 32 1HE PHE 32 16.461 9.341 4.143 262 HE2 PHE 32 2HE PHE 32 17.757 9.042 0.092 263 HZ PHE 32 HZ PHE 32 17.848 10.166 2.281 264 H ASN 33 H ASN 33 15.001 2.854 2.819 265 HA ASN 33 HA ASN 33 17.563 3.332 4.186 266 1HB ASN 33 2HB ASN 33 14.873 2.443 5.149 267 2HB ASN 33 1HB ASN 33 16.312 1.949 6.036 268 1HD2 ASN 33 1HD2 ASN 33 14.609 4.764 4.770 269 2HD2 ASN 33 2HD2 ASN 33 15.149 5.863 5.989 270 H PHE 34 H PHE 34 16.457 1.406 1.893 271 HA PHE 34 HA PHE 34 17.543 -1.085 2.995 272 1HB PHE 34 2HB PHE 34 15.569 -0.427 0.896 273 2HB PHE 34 1HB PHE 34 16.625 -1.791 0.545 274 HD1 PHE 34 1HD PHE 34 14.869 -3.423 0.603 275 HD2 PHE 34 2HD PHE 34 15.617 -0.917 3.959 276 HE1 PHE 34 1HE PHE 34 13.456 -4.876 1.998 277 HE2 PHE 34 2HE PHE 34 14.207 -2.366 5.361 278 HZ PHE 34 HZ PHE 34 13.124 -4.349 4.381 279 H LEU 35 H LEU 35 18.200 1.426 0.713 280 HA LEU 35 HA LEU 35 20.339 -0.136 -0.535 281 1HB LEU 35 2HB LEU 35 20.138 2.582 -1.480 282 2HB LEU 35 1HB LEU 35 19.982 1.078 -2.368 283 HG LEU 35 HG LEU 35 17.754 2.401 -0.823 284 1HD1 LEU 35 1HD1 LEU 35 17.742 2.181 -3.779 285 2HD1 LEU 35 2HD1 LEU 35 18.752 3.429 -3.048 286 3HD1 LEU 35 3HD1 LEU 35 17.018 3.398 -2.727 287 1HD2 LEU 35 1HD2 LEU 35 16.735 0.634 -2.714 288 2HD2 LEU 35 2HD2 LEU 35 16.776 0.410 -0.965 289 3HD2 LEU 35 3HD2 LEU 35 18.080 -0.228 -1.966 290 H LYS 36 H LYS 36 20.924 0.328 2.053 291 HA LYS 36 HA LYS 36 23.097 2.282 1.852 292 1HB LYS 36 2HB LYS 36 20.837 2.322 3.721 293 2HB LYS 36 1HB LYS 36 22.407 2.440 4.505 294 1HG LYS 36 2HG LYS 36 22.199 4.626 4.115 295 2HG LYS 36 1HG LYS 36 22.693 4.216 2.472 296 1HD LYS 36 2HD LYS 36 19.972 3.731 2.479 297 2HD LYS 36 1HD LYS 36 20.138 5.186 3.464 298 1HE LYS 36 2HE LYS 36 21.129 4.765 0.648 299 2HE LYS 36 1HE LYS 36 19.828 5.833 1.171 300 1HZ LYS 36 1HZ LYS 36 22.163 6.801 0.721 301 2HZ LYS 36 2HZ LYS 36 22.542 6.192 2.253 302 3HZ LYS 36 3HZ LYS 36 21.302 7.330 2.079 303 HA PRO 37 HA PRO 37 24.207 -1.879 3.842 304 1HB PRO 37 2HB PRO 37 25.269 -3.195 1.750 305 2HB PRO 37 1HB PRO 37 23.536 -3.236 2.096 306 1HG PRO 37 2HG PRO 37 25.028 -1.600 0.083 307 2HG PRO 37 1HG PRO 37 23.484 -2.454 -0.091 308 1HD PRO 37 2HD PRO 37 23.693 0.237 0.378 309 2HD PRO 37 1HD PRO 37 22.294 -0.743 0.858 310 H LYS 38 H LYS 38 25.996 -1.428 4.969 311 HA LYS 38 HA LYS 38 28.163 0.082 3.853 312 1HB LYS 38 2HB LYS 38 27.941 -1.332 6.514 313 2HB LYS 38 1HB LYS 38 29.201 -0.190 6.070 314 1HG LYS 38 2HG LYS 38 27.819 1.621 6.243 315 2HG LYS 38 1HG LYS 38 26.367 0.685 5.880 316 1HD LYS 38 2HD LYS 38 26.214 -0.150 8.049 317 2HD LYS 38 1HD LYS 38 27.903 0.211 8.409 318 1HE LYS 38 2HE LYS 38 26.552 2.632 7.724 319 2HE LYS 38 1HE LYS 38 25.621 1.784 8.957 320 1HZ LYS 38 1HZ LYS 38 28.233 3.033 9.140 321 2HZ LYS 38 2HZ LYS 38 28.084 1.549 9.939 322 3HZ LYS 38 3HZ LYS 38 27.045 2.826 10.327 323 H LYS 39 H LYS 39 27.737 -3.262 4.943 324 HA LYS 39 HA LYS 39 30.211 -3.954 3.498 325 1HB LYS 39 2HB LYS 39 30.231 -5.963 5.105 326 2HB LYS 39 1HB LYS 39 30.705 -4.394 5.743 327 1HG LYS 39 2HG LYS 39 28.436 -4.112 6.660 328 2HG LYS 39 1HG LYS 39 28.026 -5.727 6.079 329 1HD LYS 39 2HD LYS 39 29.158 -6.748 7.738 330 2HD LYS 39 1HD LYS 39 30.473 -5.571 7.700 331 1HE LYS 39 2HE LYS 39 29.543 -4.293 9.304 332 2HE LYS 39 1HE LYS 39 27.910 -4.530 8.684 333 1HZ LYS 39 1HZ LYS 39 29.452 -6.443 10.352 334 2HZ LYS 39 2HZ LYS 39 27.923 -6.750 9.696 335 3HZ LYS 39 3HZ LYS 39 28.119 -5.525 10.847 336 H ARG 40 H ARG 40 27.412 -3.844 2.526 337 HA ARG 40 HA ARG 40 27.374 -6.497 1.343 338 1HB ARG 40 2HB ARG 40 25.858 -6.294 3.499 339 2HB ARG 40 1HB ARG 40 24.754 -5.508 2.378 340 1HG ARG 40 2HG ARG 40 24.391 -7.424 1.173 341 2HG ARG 40 1HG ARG 40 25.941 -8.134 1.629 342 1HD ARG 40 2HD ARG 40 24.800 -9.346 3.111 343 2HD ARG 40 1HD ARG 40 24.623 -7.856 4.037 344 HE ARG 40 HE ARG 40 22.589 -9.201 2.490 345 1HH1 ARG 40 1HH1 ARG 40 23.592 -6.231 4.003 346 2HH1 ARG 40 2HH1 ARG 40 21.984 -5.602 4.134 347 1HH2 ARG 40 1HH2 ARG 40 20.467 -8.383 2.652 348 2HH2 ARG 40 2HH2 ARG 40 20.206 -6.827 3.367 349 H LYS 41 H LYS 41 28.085 -4.135 0.139 350 HA LYS 41 HA LYS 41 26.160 -2.603 -1.090 351 1HB LYS 41 2HB LYS 41 27.784 -2.015 -2.701 352 2HB LYS 41 1HB LYS 41 28.690 -2.379 -1.240 353 1HG LYS 41 2HG LYS 41 28.561 -4.805 -2.560 354 2HG LYS 41 1HG LYS 41 28.802 -3.624 -3.849 355 1HD LYS 41 2HD LYS 41 30.924 -3.272 -3.248 356 2HD LYS 41 1HD LYS 41 30.485 -3.081 -1.550 357 1HE LYS 41 2HE LYS 41 30.388 -5.546 -1.344 358 2HE LYS 41 1HE LYS 41 30.941 -5.679 -3.013 359 1HZ LYS 41 1HZ LYS 41 32.434 -4.483 -0.743 360 2HZ LYS 41 2HZ LYS 41 32.958 -4.454 -2.351 361 3HZ LYS 41 3HZ LYS 41 32.795 -5.930 -1.542 362 H ALA 42 H ALA 42 25.074 -2.703 -3.090 363 HA ALA 42 HA ALA 42 25.010 -5.289 -4.453 364 1HB ALA 42 1HB ALA 42 22.807 -5.750 -4.096 365 2HB ALA 42 2HB ALA 42 22.371 -4.054 -3.886 366 3HB ALA 42 3HB ALA 42 23.171 -4.926 -2.579
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