NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5597 | 1hp3 | 4923 | cing | recoord | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 1HT LEU 1 -16.449 -6.853 -2.036 2 2H LEU 1 2HT LEU 1 -15.447 -7.780 -1.025 3 3H LEU 1 3HT LEU 1 -14.999 -7.493 -2.638 4 HA LEU 1 HA LEU 1 -14.470 -5.282 -2.255 5 1HB LEU 1 2HB LEU 1 -16.685 -5.158 -0.778 6 2HB LEU 1 1HB LEU 1 -15.534 -5.325 0.545 7 HG LEU 1 HG LEU 1 -15.944 -2.951 0.064 8 1HD1 LEU 1 1HD1 LEU 1 -13.666 -2.232 -0.069 9 2HD1 LEU 1 2HD1 LEU 1 -13.194 -3.672 -0.971 10 3HD1 LEU 1 3HD1 LEU 1 -13.639 -3.804 0.731 11 1HD2 LEU 1 1HD2 LEU 1 -16.379 -3.547 -2.457 12 2HD2 LEU 1 2HD2 LEU 1 -14.645 -3.276 -2.627 13 3HD2 LEU 1 3HD2 LEU 1 -15.686 -1.977 -2.046 14 H LEU 2 H LEU 2 -12.315 -5.822 -2.163 15 HA LEU 2 HA LEU 2 -11.170 -6.319 0.518 16 1HB LEU 2 2HB LEU 2 -11.289 -8.316 -1.657 17 2HB LEU 2 1HB LEU 2 -9.682 -8.087 -0.966 18 HG LEU 2 HG LEU 2 -11.957 -8.305 0.947 19 1HD1 LEU 2 1HD1 LEU 2 -12.061 -10.703 0.809 20 2HD1 LEU 2 2HD1 LEU 2 -10.749 -10.751 -0.369 21 3HD1 LEU 2 3HD1 LEU 2 -12.319 -10.088 -0.824 22 1HD2 LEU 2 1HD2 LEU 2 -9.753 -7.992 1.849 23 2HD2 LEU 2 2HD2 LEU 2 -9.078 -9.241 0.802 24 3HD2 LEU 2 3HD2 LEU 2 -10.163 -9.685 2.120 25 H ALA 3 H ALA 3 -9.992 -4.432 0.504 26 HA ALA 3 HA ALA 3 -8.139 -4.002 -1.804 27 1HB ALA 3 1HB ALA 3 -8.243 -1.649 -1.383 28 2HB ALA 3 2HB ALA 3 -9.031 -1.893 0.176 29 3HB ALA 3 3HB ALA 3 -9.911 -2.219 -1.318 30 H CYS 4 H CYS 4 -6.993 -5.744 -0.339 31 HA CYS 4 HA CYS 4 -4.745 -4.495 0.888 32 1HB CYS 4 2HB CYS 4 -6.367 -4.035 2.704 33 2HB CYS 4 1HB CYS 4 -6.721 -5.756 2.815 34 H LEU 5 H LEU 5 -3.575 -5.966 -0.331 35 HA LEU 5 HA LEU 5 -3.852 -8.837 0.473 36 1HB LEU 5 2HB LEU 5 -3.018 -9.392 -1.829 37 2HB LEU 5 1HB LEU 5 -4.594 -8.600 -1.828 38 HG LEU 5 HG LEU 5 -2.207 -6.826 -1.964 39 1HD1 LEU 5 1HD1 LEU 5 -2.082 -7.155 -4.436 40 2HD1 LEU 5 2HD1 LEU 5 -3.160 -8.541 -4.278 41 3HD1 LEU 5 3HD1 LEU 5 -1.561 -8.579 -3.536 42 1HD2 LEU 5 1HD2 LEU 5 -3.708 -5.377 -2.934 43 2HD2 LEU 5 2HD2 LEU 5 -4.867 -6.403 -2.088 44 3HD2 LEU 5 3HD2 LEU 5 -4.545 -6.663 -3.803 45 H PHE 6 H PHE 6 -2.111 -6.654 1.554 46 HA PHE 6 HA PHE 6 0.514 -7.973 1.004 47 1HB PHE 6 2HB PHE 6 -0.251 -5.206 0.625 48 2HB PHE 6 1HB PHE 6 1.016 -5.309 1.846 49 HD1 PHE 6 1HD PHE 6 0.120 -6.178 -1.650 50 HD2 PHE 6 2HD PHE 6 3.258 -5.955 1.275 51 HE1 PHE 6 1HE PHE 6 1.805 -6.551 -3.430 52 HE2 PHE 6 2HE PHE 6 4.943 -6.328 -0.506 53 HZ PHE 6 HZ PHE 6 4.217 -6.626 -2.859 54 H GLY 7 H GLY 7 -0.521 -5.432 3.288 55 1HA GLY 7 2HA GLY 7 -0.745 -5.559 5.648 56 2HA GLY 7 1HA GLY 7 -0.370 -7.281 5.563 57 H ASN 8 H ASN 8 1.647 -4.845 4.040 58 HA ASN 8 HA ASN 8 3.645 -5.072 6.233 59 1HB ASN 8 2HB ASN 8 4.106 -5.747 3.317 60 2HB ASN 8 1HB ASN 8 5.421 -5.409 4.444 61 1HD2 ASN 8 1HD2 ASN 8 5.336 -6.815 6.539 62 2HD2 ASN 8 2HD2 ASN 8 4.853 -8.430 6.352 63 H GLY 9 H GLY 9 5.679 -3.609 5.267 64 1HA GLY 9 2HA GLY 9 4.389 -1.017 4.515 65 2HA GLY 9 1HA GLY 9 5.830 -1.139 5.524 66 H ARG 10 H ARG 10 5.570 -3.249 2.766 67 HA ARG 10 HA ARG 10 7.463 -1.490 1.260 68 1HB ARG 10 2HB ARG 10 8.565 -3.613 0.473 69 2HB ARG 10 1HB ARG 10 8.759 -3.312 2.199 70 1HG ARG 10 2HG ARG 10 6.982 -4.874 2.733 71 2HG ARG 10 1HG ARG 10 6.595 -5.080 1.025 72 1HD ARG 10 2HD ARG 10 7.959 -6.905 1.239 73 2HD ARG 10 1HD ARG 10 9.223 -5.706 0.963 74 HE ARG 10 HE ARG 10 8.796 -5.684 3.722 75 1HH1 ARG 10 1HH2 ARG 10 9.693 -8.066 1.321 76 2HH1 ARG 10 2HH2 ARG 10 10.620 -8.997 2.446 77 1HH2 ARG 10 1HH1 ARG 10 10.006 -6.919 5.142 78 2HH2 ARG 10 2HH1 ARG 10 10.796 -8.357 4.586 79 H CYS 11 H CYS 11 6.958 -1.235 -0.901 80 HA CYS 11 HA CYS 11 5.089 -3.130 -2.195 81 1HB CYS 11 2HB CYS 11 3.686 -1.142 -2.987 82 2HB CYS 11 1HB CYS 11 3.471 -1.623 -1.311 83 H SER 12 H SER 12 4.577 -2.149 -4.488 84 HA SER 12 HA SER 12 7.063 -0.956 -5.632 85 1HB SER 12 2HB SER 12 6.995 -3.399 -6.088 86 2HB SER 12 1HB SER 12 5.421 -3.194 -6.854 87 HG SER 12 HG SER 12 7.874 -1.986 -7.632 88 H SER 13 H SER 13 3.970 -0.299 -5.008 89 HA SER 13 HA SER 13 3.689 1.774 -6.916 90 1HB SER 13 2HB SER 13 3.285 0.221 -8.649 91 2HB SER 13 1HB SER 13 2.375 -0.856 -7.596 92 HG SER 13 HG SER 13 1.234 0.661 -9.159 93 H ASN 14 H ASN 14 1.455 2.759 -6.728 94 HA ASN 14 HA ASN 14 0.628 2.930 -4.019 95 1HB ASN 14 2HB ASN 14 -0.602 3.764 -6.628 96 2HB ASN 14 1HB ASN 14 -1.512 3.942 -5.129 97 1HD2 ASN 14 1HD2 ASN 14 -1.354 6.307 -5.224 98 2HD2 ASN 14 2HD2 ASN 14 0.111 7.100 -4.897 99 H ARG 15 H ARG 15 -0.776 1.075 -6.725 100 HA ARG 15 HA ARG 15 -2.967 0.042 -5.158 101 1HB ARG 15 2HB ARG 15 -2.018 -0.157 -7.874 102 2HB ARG 15 1HB ARG 15 -2.474 -1.750 -7.276 103 1HG ARG 15 2HG ARG 15 -4.678 -0.918 -6.632 104 2HG ARG 15 1HG ARG 15 -4.226 0.720 -7.105 105 1HD ARG 15 2HD ARG 15 -4.022 0.068 -9.423 106 2HD ARG 15 1HD ARG 15 -4.237 -1.634 -9.012 107 HE ARG 15 HE ARG 15 -6.486 0.005 -8.166 108 1HH1 ARG 15 1HH2 ARG 15 -5.056 -1.717 -10.853 109 2HH1 ARG 15 2HH2 ARG 15 -6.574 -1.933 -11.652 110 1HH2 ARG 15 1HH1 ARG 15 -8.428 -0.299 -9.234 111 2HH2 ARG 15 2HH1 ARG 15 -8.463 -1.141 -10.747 112 H ASP 16 H ASP 16 0.323 -0.712 -5.100 113 HA ASP 16 HA ASP 16 0.013 -3.553 -4.473 114 1HB ASP 16 2HB ASP 16 2.202 -1.660 -4.920 115 2HB ASP 16 1HB ASP 16 2.531 -2.769 -3.591 116 H CYS 17 H CYS 17 -0.730 -0.797 -2.746 117 HA CYS 17 HA CYS 17 0.187 -1.912 -0.148 118 1HB CYS 17 2HB CYS 17 -0.955 0.784 -0.914 119 2HB CYS 17 1HB CYS 17 -0.577 0.311 0.741 120 H CYS 18 H CYS 18 -1.631 -1.174 1.636 121 HA CYS 18 HA CYS 18 -4.029 -2.712 0.855 122 1HB CYS 18 2HB CYS 18 -2.662 -2.007 3.417 123 2HB CYS 18 1HB CYS 18 -4.361 -2.421 3.451 124 H GLU 19 H GLU 19 -5.999 -1.815 2.373 125 HA GLU 19 HA GLU 19 -6.837 0.635 1.171 126 1HB GLU 19 2HB GLU 19 -8.108 -1.378 2.465 127 2HB GLU 19 1HB GLU 19 -8.093 -0.158 3.735 128 1HG GLU 19 2HG GLU 19 -9.192 1.449 2.297 129 2HG GLU 19 1HG GLU 19 -9.054 0.368 0.910 130 H LEU 20 H LEU 20 -5.727 -0.109 4.453 131 HA LEU 20 HA LEU 20 -5.933 2.508 5.532 132 1HB LEU 20 2HB LEU 20 -4.173 1.741 7.156 133 2HB LEU 20 1HB LEU 20 -5.536 0.633 7.003 134 HG LEU 20 HG LEU 20 -3.390 0.090 5.064 135 1HD1 LEU 20 1HD1 LEU 20 -2.097 0.914 7.080 136 2HD1 LEU 20 2HD1 LEU 20 -1.758 -0.754 6.620 137 3HD1 LEU 20 3HD1 LEU 20 -2.809 -0.415 7.995 138 1HD2 LEU 20 1HD2 LEU 20 -5.504 -1.273 6.055 139 2HD2 LEU 20 2HD2 LEU 20 -4.247 -1.867 7.139 140 3HD2 LEU 20 3HD2 LEU 20 -4.079 -2.077 5.397 141 H THR 21 H THR 21 -3.676 1.210 3.255 142 HA THR 21 HA THR 21 -2.142 3.769 3.373 143 HB THR 21 HB THR 21 -0.161 2.339 2.581 144 HG1 THR 21 1HG THR 21 -1.766 0.298 3.717 145 1HG2 THR 21 1HG2 THR 21 -1.322 2.015 5.358 146 2HG2 THR 21 2HG2 THR 21 -0.188 3.252 4.816 147 3HG2 THR 21 3HG2 THR 21 0.330 1.570 4.928 148 HA PRO 22 HA PRO 22 -3.632 3.184 -0.918 149 1HB PRO 22 2HB PRO 22 -4.505 5.746 -1.256 150 2HB PRO 22 1HB PRO 22 -5.471 4.484 -0.479 151 1HG PRO 22 2HG PRO 22 -4.203 6.836 0.712 152 2HG PRO 22 1HG PRO 22 -5.473 5.794 1.366 153 1HD PRO 22 2HD PRO 22 -2.639 5.773 1.979 154 2HD PRO 22 1HD PRO 22 -3.932 4.801 2.714 155 H VAL 23 H VAL 23 -0.934 4.521 0.340 156 HA VAL 23 HA VAL 23 -0.091 5.620 -2.315 157 HB VAL 23 HB VAL 23 0.824 6.632 0.393 158 1HG1 VAL 23 1HG1 VAL 23 2.564 7.152 -1.059 159 2HG1 VAL 23 2HG1 VAL 23 1.529 8.564 -1.279 160 3HG1 VAL 23 3HG1 VAL 23 1.500 7.255 -2.461 161 1HG2 VAL 23 1HG2 VAL 23 -1.076 7.865 -1.620 162 2HG2 VAL 23 2HG2 VAL 23 -0.501 8.639 -0.143 163 3HG2 VAL 23 3HG2 VAL 23 -1.531 7.210 -0.048 164 H CYS 24 H CYS 24 2.039 5.196 -2.906 165 HA CYS 24 HA CYS 24 3.593 3.356 -1.158 166 1HB CYS 24 2HB CYS 24 2.372 1.968 -2.778 167 2HB CYS 24 1HB CYS 24 2.976 2.958 -4.101 168 H LYS 25 H LYS 25 4.993 5.124 -0.729 169 HA LYS 25 HA LYS 25 6.497 6.136 -3.117 170 1HB LYS 25 2HB LYS 25 5.298 7.896 -1.864 171 2HB LYS 25 1HB LYS 25 6.210 7.476 -0.420 172 1HG LYS 25 2HG LYS 25 8.292 8.099 -1.486 173 2HG LYS 25 1HG LYS 25 7.480 8.329 -3.035 174 1HD LYS 25 2HD LYS 25 6.799 9.913 -0.544 175 2HD LYS 25 1HD LYS 25 7.936 10.471 -1.774 176 1HE LYS 25 2HE LYS 25 6.027 10.038 -3.461 177 2HE LYS 25 1HE LYS 25 4.971 9.981 -2.049 178 1HZ LYS 25 1HZ LYS 25 6.024 12.183 -1.427 179 2HZ LYS 25 2HZ LYS 25 4.946 12.196 -2.740 180 3HZ LYS 25 3HZ LYS 25 6.623 12.237 -3.012 181 H ARG 26 H ARG 26 8.692 6.133 -3.053 182 HA ARG 26 HA ARG 26 10.825 5.306 -2.512 183 1HB ARG 26 2HB ARG 26 10.135 6.790 -0.432 184 2HB ARG 26 1HB ARG 26 10.051 5.228 0.382 185 1HG ARG 26 2HG ARG 26 12.340 4.740 -0.120 186 2HG ARG 26 1HG ARG 26 12.450 6.099 -1.238 187 1HD ARG 26 2HD ARG 26 13.509 6.595 0.965 188 2HD ARG 26 1HD ARG 26 12.168 7.683 0.601 189 HE ARG 26 HE ARG 26 11.261 5.390 2.106 190 1HH1 ARG 26 1HH2 ARG 26 12.915 8.459 2.398 191 2HH1 ARG 26 2HH2 ARG 26 12.451 8.665 4.051 192 1HH2 ARG 26 1HH1 ARG 26 10.685 5.699 4.246 193 2HH2 ARG 26 2HH1 ARG 26 11.204 7.121 5.088 194 H GLY 27 H GLY 27 8.516 3.447 -2.923 195 1HA GLY 27 2HA GLY 27 8.154 1.130 -2.856 196 2HA GLY 27 1HA GLY 27 9.822 0.975 -2.301 197 H SER 28 H SER 28 7.373 2.879 -0.632 198 HA SER 28 HA SER 28 7.128 0.793 1.457 199 1HB SER 28 2HB SER 28 8.185 3.594 1.823 200 2HB SER 28 1HB SER 28 7.402 2.741 3.149 201 HG SER 28 HG SER 28 9.701 1.975 1.673 202 H CYS 29 H CYS 29 5.055 0.613 2.039 203 HA CYS 29 HA CYS 29 3.000 2.261 0.894 204 1HB CYS 29 2HB CYS 29 2.976 0.163 3.076 205 2HB CYS 29 1HB CYS 29 1.512 0.982 2.530 206 H VAL 30 H VAL 30 1.747 3.869 1.828 207 HA VAL 30 HA VAL 30 2.174 4.627 4.641 208 HB VAL 30 HB VAL 30 2.693 6.992 4.020 209 1HG1 VAL 30 1HG1 VAL 30 4.721 5.109 2.801 210 2HG1 VAL 30 2HG1 VAL 30 4.444 5.192 4.541 211 3HG1 VAL 30 3HG1 VAL 30 5.019 6.613 3.671 212 1HG2 VAL 30 1HG2 VAL 30 2.544 5.770 1.288 213 2HG2 VAL 30 2HG2 VAL 30 3.722 7.052 1.565 214 3HG2 VAL 30 3HG2 VAL 30 2.007 7.358 1.835 215 H SER 31 H SER 31 0.570 6.248 5.331 216 HA SER 31 HA SER 31 -1.955 5.935 3.819 217 1HB SER 31 2HB SER 31 -1.828 5.500 6.303 218 2HB SER 31 1HB SER 31 -1.516 7.219 6.530 219 HG SER 31 HG SER 31 -3.836 6.076 6.355 220 H SER 32 H SER 32 -0.201 7.595 2.480 221 HA SER 32 HA SER 32 -0.070 9.719 1.498 222 1HB SER 32 2HB SER 32 -2.700 9.235 1.723 223 2HB SER 32 1HB SER 32 -2.592 10.605 2.824 224 HG SER 32 HG SER 32 -2.356 11.852 1.156 Start of MODEL 2 1 1H LEU 1 1HT LEU 1 -12.571 -8.165 -6.545 2 2H LEU 1 2HT LEU 1 -11.343 -8.221 -7.719 3 3H LEU 1 3HT LEU 1 -11.680 -6.768 -6.905 4 HA LEU 1 HA LEU 1 -10.705 -9.221 -5.553 5 1HB LEU 1 2HB LEU 1 -9.264 -6.904 -6.820 6 2HB LEU 1 1HB LEU 1 -8.579 -7.690 -5.397 7 HG LEU 1 HG LEU 1 -9.182 -9.882 -6.838 8 1HD1 LEU 1 1HD1 LEU 1 -8.231 -9.053 -9.216 9 2HD1 LEU 1 2HD1 LEU 1 -9.087 -7.587 -8.734 10 3HD1 LEU 1 3HD1 LEU 1 -9.957 -9.117 -8.860 11 1HD2 LEU 1 1HD2 LEU 1 -6.692 -8.356 -7.570 12 2HD2 LEU 1 2HD2 LEU 1 -6.875 -10.074 -7.220 13 3HD2 LEU 1 3HD2 LEU 1 -6.937 -8.897 -5.908 14 H LEU 2 H LEU 2 -9.312 -8.066 -3.585 15 HA LEU 2 HA LEU 2 -11.374 -6.517 -2.120 16 1HB LEU 2 2HB LEU 2 -9.895 -8.681 -1.355 17 2HB LEU 2 1HB LEU 2 -8.899 -7.368 -0.727 18 HG LEU 2 HG LEU 2 -11.262 -6.458 0.108 19 1HD1 LEU 2 1HD1 LEU 2 -11.698 -9.423 0.388 20 2HD1 LEU 2 2HD1 LEU 2 -12.281 -8.574 -1.043 21 3HD1 LEU 2 3HD1 LEU 2 -12.865 -8.111 0.555 22 1HD2 LEU 2 1HD2 LEU 2 -9.765 -6.759 1.830 23 2HD2 LEU 2 2HD2 LEU 2 -9.290 -8.364 1.275 24 3HD2 LEU 2 3HD2 LEU 2 -10.801 -8.148 2.160 25 H ALA 3 H ALA 3 -9.554 -5.316 -0.252 26 HA ALA 3 HA ALA 3 -8.031 -3.428 -1.997 27 1HB ALA 3 1HB ALA 3 -9.313 -2.398 0.495 28 2HB ALA 3 2HB ALA 3 -10.357 -2.689 -0.896 29 3HB ALA 3 3HB ALA 3 -9.000 -1.570 -1.030 30 H CYS 4 H CYS 4 -6.983 -5.688 -0.563 31 HA CYS 4 HA CYS 4 -4.787 -4.478 0.785 32 1HB CYS 4 2HB CYS 4 -6.466 -4.045 2.553 33 2HB CYS 4 1HB CYS 4 -6.840 -5.765 2.612 34 H LEU 5 H LEU 5 -3.597 -5.941 -0.450 35 HA LEU 5 HA LEU 5 -3.895 -8.817 0.327 36 1HB LEU 5 2HB LEU 5 -3.033 -9.364 -1.959 37 2HB LEU 5 1HB LEU 5 -4.596 -8.548 -1.988 38 HG LEU 5 HG LEU 5 -2.198 -6.792 -2.057 39 1HD1 LEU 5 1HD1 LEU 5 -2.207 -7.166 -4.629 40 2HD1 LEU 5 2HD1 LEU 5 -2.952 -8.720 -4.250 41 3HD1 LEU 5 3HD1 LEU 5 -1.349 -8.336 -3.626 42 1HD2 LEU 5 1HD2 LEU 5 -4.679 -6.808 -3.792 43 2HD2 LEU 5 2HD2 LEU 5 -3.617 -5.447 -3.432 44 3HD2 LEU 5 3HD2 LEU 5 -4.665 -6.105 -2.176 45 H PHE 6 H PHE 6 -2.172 -6.628 1.445 46 HA PHE 6 HA PHE 6 0.458 -7.964 0.968 47 1HB PHE 6 2HB PHE 6 -0.281 -5.201 0.512 48 2HB PHE 6 1HB PHE 6 0.962 -5.286 1.759 49 HD1 PHE 6 1HD PHE 6 0.141 -6.077 -1.755 50 HD2 PHE 6 2HD PHE 6 3.195 -6.105 1.265 51 HE1 PHE 6 1HE PHE 6 1.857 -6.497 -3.495 52 HE2 PHE 6 2HE PHE 6 4.912 -6.525 -0.474 53 HZ PHE 6 HZ PHE 6 4.242 -6.721 -2.855 54 H GLY 7 H GLY 7 -0.574 -5.353 3.170 55 1HA GLY 7 2HA GLY 7 -0.858 -5.425 5.527 56 2HA GLY 7 1HA GLY 7 -0.500 -7.151 5.490 57 H ASN 8 H ASN 8 1.583 -4.787 3.945 58 HA ASN 8 HA ASN 8 3.521 -4.952 6.196 59 1HB ASN 8 2HB ASN 8 3.824 -6.700 4.191 60 2HB ASN 8 1HB ASN 8 4.598 -5.308 3.432 61 1HD2 ASN 8 1HD2 ASN 8 6.819 -5.712 3.677 62 2HD2 ASN 8 2HD2 ASN 8 7.568 -6.080 5.155 63 H GLY 9 H GLY 9 5.566 -3.517 5.380 64 1HA GLY 9 2HA GLY 9 4.357 -0.962 4.422 65 2HA GLY 9 1HA GLY 9 5.777 -1.068 5.461 66 H ARG 10 H ARG 10 5.540 -3.291 2.796 67 HA ARG 10 HA ARG 10 7.530 -1.649 1.276 68 1HB ARG 10 2HB ARG 10 7.424 -4.677 1.470 69 2HB ARG 10 1HB ARG 10 8.641 -3.722 0.621 70 1HG ARG 10 2HG ARG 10 8.859 -2.584 3.039 71 2HG ARG 10 1HG ARG 10 8.287 -4.173 3.547 72 1HD ARG 10 2HD ARG 10 10.116 -5.276 2.443 73 2HD ARG 10 1HD ARG 10 10.605 -3.783 1.639 74 HE ARG 10 HE ARG 10 11.713 -3.143 3.615 75 1HH1 ARG 10 1HH2 ARG 10 9.465 -5.738 4.283 76 2HH1 ARG 10 2HH2 ARG 10 10.014 -5.927 5.911 77 1HH2 ARG 10 1HH1 ARG 10 12.393 -3.425 5.727 78 2HH2 ARG 10 2HH1 ARG 10 11.653 -4.634 6.722 79 H CYS 11 H CYS 11 6.979 -1.291 -0.848 80 HA CYS 11 HA CYS 11 5.096 -3.138 -2.193 81 1HB CYS 11 2HB CYS 11 3.698 -1.140 -2.931 82 2HB CYS 11 1HB CYS 11 3.505 -1.625 -1.253 83 H SER 12 H SER 12 4.590 -2.097 -4.456 84 HA SER 12 HA SER 12 7.061 -0.864 -5.581 85 1HB SER 12 2HB SER 12 7.212 -3.206 -6.153 86 2HB SER 12 1HB SER 12 5.524 -3.244 -6.655 87 HG SER 12 HG SER 12 6.157 -2.578 -8.534 88 H SER 13 H SER 13 3.964 -0.270 -4.962 89 HA SER 13 HA SER 13 3.638 1.796 -6.871 90 1HB SER 13 2HB SER 13 3.257 0.227 -8.598 91 2HB SER 13 1HB SER 13 2.364 -0.858 -7.538 92 HG SER 13 HG SER 13 1.260 0.740 -9.126 93 H ASN 14 H ASN 14 1.372 2.726 -6.683 94 HA ASN 14 HA ASN 14 0.561 2.899 -3.969 95 1HB ASN 14 2HB ASN 14 -0.547 3.782 -6.585 96 2HB ASN 14 1HB ASN 14 -1.671 3.732 -5.226 97 1HD2 ASN 14 1HD2 ASN 14 -1.818 5.902 -4.569 98 2HD2 ASN 14 2HD2 ASN 14 -0.482 6.882 -4.196 99 H ARG 15 H ARG 15 -0.817 0.983 -6.648 100 HA ARG 15 HA ARG 15 -2.961 -0.097 -5.050 101 1HB ARG 15 2HB ARG 15 -1.999 -0.332 -7.774 102 2HB ARG 15 1HB ARG 15 -2.495 -1.898 -7.139 103 1HG ARG 15 2HG ARG 15 -4.663 -0.893 -6.437 104 2HG ARG 15 1HG ARG 15 -4.165 0.634 -7.167 105 1HD ARG 15 2HD ARG 15 -3.953 -0.488 -9.360 106 2HD ARG 15 1HD ARG 15 -4.473 -2.006 -8.629 107 HE ARG 15 HE ARG 15 -6.462 -0.090 -8.037 108 1HH1 ARG 15 1HH2 ARG 15 -5.073 -1.641 -10.847 109 2HH1 ARG 15 2HH2 ARG 15 -6.535 -1.516 -11.762 110 1HH2 ARG 15 1HH1 ARG 15 -8.331 0.052 -9.257 111 2HH2 ARG 15 2HH1 ARG 15 -8.361 -0.569 -10.875 112 H ASP 16 H ASP 16 0.353 -0.777 -5.060 113 HA ASP 16 HA ASP 16 0.139 -3.614 -4.407 114 1HB ASP 16 2HB ASP 16 2.264 -1.635 -4.832 115 2HB ASP 16 1HB ASP 16 2.626 -2.757 -3.523 116 H CYS 17 H CYS 17 -0.674 -0.864 -2.679 117 HA CYS 17 HA CYS 17 0.239 -1.982 -0.079 118 1HB CYS 17 2HB CYS 17 -0.916 0.715 -0.831 119 2HB CYS 17 1HB CYS 17 -0.504 0.236 0.815 120 H CYS 18 H CYS 18 -1.625 -1.187 1.678 121 HA CYS 18 HA CYS 18 -4.018 -2.722 0.851 122 1HB CYS 18 2HB CYS 18 -2.634 -2.140 3.425 123 2HB CYS 18 1HB CYS 18 -4.350 -2.471 3.466 124 H GLU 19 H GLU 19 -5.979 -1.846 2.407 125 HA GLU 19 HA GLU 19 -6.814 0.627 1.263 126 1HB GLU 19 2HB GLU 19 -8.087 -1.380 2.548 127 2HB GLU 19 1HB GLU 19 -8.013 -0.195 3.850 128 1HG GLU 19 2HG GLU 19 -8.829 1.461 1.945 129 2HG GLU 19 1HG GLU 19 -9.430 -0.028 1.217 130 H LEU 20 H LEU 20 -5.691 -0.148 4.536 131 HA LEU 20 HA LEU 20 -5.835 2.458 5.632 132 1HB LEU 20 2HB LEU 20 -4.027 1.657 7.206 133 2HB LEU 20 1HB LEU 20 -5.433 0.598 7.104 134 HG LEU 20 HG LEU 20 -3.359 -0.020 5.105 135 1HD1 LEU 20 1HD1 LEU 20 -1.748 -0.966 6.644 136 2HD1 LEU 20 2HD1 LEU 20 -2.745 -0.522 8.031 137 3HD1 LEU 20 3HD1 LEU 20 -1.970 0.733 7.064 138 1HD2 LEU 20 1HD2 LEU 20 -4.145 -2.152 5.426 139 2HD2 LEU 20 2HD2 LEU 20 -5.507 -1.301 6.154 140 3HD2 LEU 20 3HD2 LEU 20 -4.234 -1.965 7.178 141 H THR 21 H THR 21 -3.606 1.142 3.337 142 HA THR 21 HA THR 21 -2.070 3.702 3.418 143 HB THR 21 HB THR 21 -0.103 2.247 2.600 144 HG1 THR 21 1HG THR 21 -0.289 0.130 2.820 145 1HG2 THR 21 1HG2 THR 21 -0.808 1.462 5.390 146 2HG2 THR 21 2HG2 THR 21 -0.714 3.186 5.027 147 3HG2 THR 21 3HG2 THR 21 0.689 2.151 4.760 148 HA PRO 22 HA PRO 22 -3.598 3.081 -0.854 149 1HB PRO 22 2HB PRO 22 -4.484 5.637 -1.203 150 2HB PRO 22 1HB PRO 22 -5.436 4.378 -0.404 151 1HG PRO 22 2HG PRO 22 -4.164 6.746 0.750 152 2HG PRO 22 1HG PRO 22 -5.417 5.700 1.432 153 1HD PRO 22 2HD PRO 22 -2.570 5.700 1.998 154 2HD PRO 22 1HD PRO 22 -3.849 4.735 2.770 155 H VAL 23 H VAL 23 -0.901 4.486 0.373 156 HA VAL 23 HA VAL 23 -0.093 5.537 -2.312 157 HB VAL 23 HB VAL 23 0.815 6.618 0.372 158 1HG1 VAL 23 1HG1 VAL 23 1.512 7.162 -2.488 159 2HG1 VAL 23 2HG1 VAL 23 2.554 7.150 -1.065 160 3HG1 VAL 23 3HG1 VAL 23 1.485 8.521 -1.364 161 1HG2 VAL 23 1HG2 VAL 23 -0.992 7.923 -1.672 162 2HG2 VAL 23 2HG2 VAL 23 -0.583 8.524 -0.065 163 3HG2 VAL 23 3HG2 VAL 23 -1.593 7.090 -0.239 164 H CYS 24 H CYS 24 2.066 5.171 -2.889 165 HA CYS 24 HA CYS 24 3.642 3.357 -1.135 166 1HB CYS 24 2HB CYS 24 2.430 1.947 -2.744 167 2HB CYS 24 1HB CYS 24 3.033 2.929 -4.074 168 H LYS 25 H LYS 25 5.006 5.162 -0.726 169 HA LYS 25 HA LYS 25 6.489 6.186 -3.121 170 1HB LYS 25 2HB LYS 25 5.296 7.909 -1.806 171 2HB LYS 25 1HB LYS 25 6.252 7.477 -0.398 172 1HG LYS 25 2HG LYS 25 7.836 8.919 -1.094 173 2HG LYS 25 1HG LYS 25 8.101 7.892 -2.500 174 1HD LYS 25 2HD LYS 25 7.592 10.024 -3.407 175 2HD LYS 25 1HD LYS 25 6.091 9.110 -3.554 176 1HE LYS 25 2HE LYS 25 5.407 11.177 -2.634 177 2HE LYS 25 1HE LYS 25 5.491 10.098 -1.240 178 1HZ LYS 25 1HZ LYS 25 6.661 11.915 -0.510 179 2HZ LYS 25 2HZ LYS 25 7.326 12.253 -2.037 180 3HZ LYS 25 3HZ LYS 25 7.916 10.951 -1.119 181 H ARG 26 H ARG 26 8.669 6.118 -3.125 182 HA ARG 26 HA ARG 26 10.812 5.283 -2.627 183 1HB ARG 26 2HB ARG 26 10.234 6.816 -0.568 184 2HB ARG 26 1HB ARG 26 10.083 5.281 0.288 185 1HG ARG 26 2HG ARG 26 12.357 4.651 -0.415 186 2HG ARG 26 1HG ARG 26 12.512 6.175 -1.290 187 1HD ARG 26 2HD ARG 26 12.753 7.416 0.632 188 2HD ARG 26 1HD ARG 26 11.723 6.341 1.578 189 HE ARG 26 HE ARG 26 13.655 5.164 2.203 190 1HH1 ARG 26 1HH2 ARG 26 14.271 6.962 -0.733 191 2HH1 ARG 26 2HH2 ARG 26 15.943 6.525 -0.768 192 1HH2 ARG 26 1HH1 ARG 26 15.825 4.626 2.119 193 2HH2 ARG 26 2HH1 ARG 26 16.816 5.219 0.829 194 H GLY 27 H GLY 27 8.484 3.443 -2.959 195 1HA GLY 27 2HA GLY 27 8.108 1.129 -2.855 196 2HA GLY 27 1HA GLY 27 9.781 0.968 -2.318 197 H SER 28 H SER 28 7.372 2.922 -0.647 198 HA SER 28 HA SER 28 7.149 0.869 1.481 199 1HB SER 28 2HB SER 28 8.047 3.738 1.872 200 2HB SER 28 1HB SER 28 7.527 2.688 3.187 201 HG SER 28 HG SER 28 9.749 2.541 2.985 202 H CYS 29 H CYS 29 5.072 0.674 2.037 203 HA CYS 29 HA CYS 29 3.006 2.312 0.911 204 1HB CYS 29 2HB CYS 29 2.986 0.261 3.139 205 2HB CYS 29 1HB CYS 29 1.524 1.041 2.536 206 H VAL 30 H VAL 30 1.754 3.923 1.837 207 HA VAL 30 HA VAL 30 2.200 4.713 4.638 208 HB VAL 30 HB VAL 30 2.698 7.076 3.989 209 1HG1 VAL 30 1HG1 VAL 30 5.012 6.711 3.707 210 2HG1 VAL 30 2HG1 VAL 30 4.755 5.256 2.743 211 3HG1 VAL 30 3HG1 VAL 30 4.451 5.227 4.480 212 1HG2 VAL 30 1HG2 VAL 30 3.731 7.053 1.507 213 2HG2 VAL 30 2HG2 VAL 30 2.044 7.464 1.815 214 3HG2 VAL 30 3HG2 VAL 30 2.472 5.839 1.284 215 H SER 31 H SER 31 0.604 6.365 5.310 216 HA SER 31 HA SER 31 -1.942 5.993 3.849 217 1HB SER 31 2HB SER 31 -1.445 5.841 6.479 218 2HB SER 31 1HB SER 31 -1.800 7.563 6.381 219 HG SER 31 HG SER 31 -3.793 7.079 5.518 220 H SER 32 H SER 32 -0.204 7.636 2.446 221 HA SER 32 HA SER 32 -0.074 9.745 1.429 222 1HB SER 32 2HB SER 32 -2.428 9.457 0.978 223 2HB SER 32 1HB SER 32 -2.851 9.894 2.631 224 HG SER 32 HG SER 32 -2.976 11.569 0.888 Start of MODEL 3 1 1H LEU 1 1HT LEU 1 -10.075 -9.620 5.121 2 2H LEU 1 2HT LEU 1 -11.517 -10.395 4.666 3 3H LEU 1 3HT LEU 1 -11.405 -9.617 6.172 4 HA LEU 1 HA LEU 1 -12.667 -8.378 4.409 5 1HB LEU 1 2HB LEU 1 -10.661 -7.487 6.306 6 2HB LEU 1 1HB LEU 1 -10.729 -6.380 4.938 7 HG LEU 1 HG LEU 1 -12.308 -5.679 6.680 8 1HD1 LEU 1 1HD1 LEU 1 -12.839 -5.750 4.063 9 2HD1 LEU 1 2HD1 LEU 1 -14.030 -5.179 5.232 10 3HD1 LEU 1 3HD1 LEU 1 -14.126 -6.825 4.608 11 1HD2 LEU 1 1HD2 LEU 1 -13.059 -7.451 7.923 12 2HD2 LEU 1 2HD2 LEU 1 -13.054 -8.554 6.549 13 3HD2 LEU 1 3HD2 LEU 1 -14.384 -7.416 6.760 14 H LEU 2 H LEU 2 -12.646 -7.811 2.285 15 HA LEU 2 HA LEU 2 -10.213 -8.301 0.708 16 1HB LEU 2 2HB LEU 2 -13.102 -7.865 0.145 17 2HB LEU 2 1HB LEU 2 -11.973 -7.343 -1.105 18 HG LEU 2 HG LEU 2 -11.825 -10.082 0.169 19 1HD1 LEU 2 1HD1 LEU 2 -12.863 -10.707 -2.163 20 2HD1 LEU 2 2HD1 LEU 2 -13.493 -9.060 -2.113 21 3HD1 LEU 2 3HD1 LEU 2 -13.925 -10.210 -0.846 22 1HD2 LEU 2 1HD2 LEU 2 -10.315 -10.582 -1.557 23 2HD2 LEU 2 2HD2 LEU 2 -9.899 -8.913 -1.169 24 3HD2 LEU 2 3HD2 LEU 2 -10.897 -9.268 -2.578 25 H ALA 3 H ALA 3 -8.898 -6.561 1.547 26 HA ALA 3 HA ALA 3 -8.987 -4.159 -0.007 27 1HB ALA 3 1HB ALA 3 -9.278 -2.819 2.370 28 2HB ALA 3 2HB ALA 3 -10.420 -4.145 2.576 29 3HB ALA 3 3HB ALA 3 -10.574 -3.055 1.199 30 H CYS 4 H CYS 4 -7.092 -6.179 0.802 31 HA CYS 4 HA CYS 4 -4.812 -4.583 1.364 32 1HB CYS 4 2HB CYS 4 -5.802 -4.440 3.641 33 2HB CYS 4 1HB CYS 4 -5.827 -6.198 3.733 34 H LEU 5 H LEU 5 -3.856 -5.826 -0.245 35 HA LEU 5 HA LEU 5 -3.715 -8.775 0.195 36 1HB LEU 5 2HB LEU 5 -2.944 -8.838 -2.192 37 2HB LEU 5 1HB LEU 5 -4.568 -8.183 -1.994 38 HG LEU 5 HG LEU 5 -2.417 -6.164 -1.828 39 1HD1 LEU 5 1HD1 LEU 5 -1.306 -7.219 -3.579 40 2HD1 LEU 5 2HD1 LEU 5 -2.438 -6.200 -4.469 41 3HD1 LEU 5 3HD1 LEU 5 -2.787 -7.913 -4.237 42 1HD2 LEU 5 1HD2 LEU 5 -4.167 -5.334 -3.733 43 2HD2 LEU 5 2HD2 LEU 5 -4.454 -5.123 -2.006 44 3HD2 LEU 5 3HD2 LEU 5 -5.185 -6.481 -2.861 45 H PHE 6 H PHE 6 -2.041 -6.685 1.581 46 HA PHE 6 HA PHE 6 0.606 -7.806 0.788 47 1HB PHE 6 2HB PHE 6 -0.261 -5.054 0.664 48 2HB PHE 6 1HB PHE 6 1.029 -5.204 1.855 49 HD1 PHE 6 1HD PHE 6 3.286 -5.545 1.184 50 HD2 PHE 6 2HD PHE 6 0.107 -5.989 -1.671 51 HE1 PHE 6 1HE PHE 6 4.952 -5.708 -0.645 52 HE2 PHE 6 2HE PHE 6 1.773 -6.151 -3.501 53 HZ PHE 6 HZ PHE 6 4.196 -6.010 -2.988 54 H GLY 7 H GLY 7 -0.553 -5.573 3.332 55 1HA GLY 7 2HA GLY 7 -0.653 -5.905 5.673 56 2HA GLY 7 1HA GLY 7 -0.210 -7.593 5.417 57 H ASN 8 H ASN 8 1.660 -4.945 4.074 58 HA ASN 8 HA ASN 8 3.697 -5.189 6.213 59 1HB ASN 8 2HB ASN 8 4.012 -6.107 3.380 60 2HB ASN 8 1HB ASN 8 5.393 -5.346 4.172 61 1HD2 ASN 8 1HD2 ASN 8 5.562 -6.266 6.651 62 2HD2 ASN 8 2HD2 ASN 8 5.519 -7.960 6.744 63 H GLY 9 H GLY 9 5.697 -3.686 5.239 64 1HA GLY 9 2HA GLY 9 4.352 -1.124 4.475 65 2HA GLY 9 1HA GLY 9 5.784 -1.210 5.499 66 H ARG 10 H ARG 10 5.568 -3.316 2.726 67 HA ARG 10 HA ARG 10 7.485 -1.545 1.260 68 1HB ARG 10 2HB ARG 10 8.583 -3.658 0.459 69 2HB ARG 10 1HB ARG 10 8.738 -3.410 2.199 70 1HG ARG 10 2HG ARG 10 6.784 -4.899 2.566 71 2HG ARG 10 1HG ARG 10 6.699 -5.188 0.828 72 1HD ARG 10 2HD ARG 10 7.937 -7.025 1.699 73 2HD ARG 10 1HD ARG 10 9.144 -5.949 0.994 74 HE ARG 10 HE ARG 10 8.780 -5.275 3.751 75 1HH1 ARG 10 1HH2 ARG 10 10.137 -7.771 1.711 76 2HH1 ARG 10 2HH2 ARG 10 11.315 -8.232 2.889 77 1HH2 ARG 10 1HH1 ARG 10 10.321 -5.905 5.245 78 2HH2 ARG 10 2HH1 ARG 10 11.421 -7.189 4.868 79 H CYS 11 H CYS 11 6.954 -1.206 -0.876 80 HA CYS 11 HA CYS 11 5.130 -3.091 -2.248 81 1HB CYS 11 2HB CYS 11 3.689 -1.108 -2.976 82 2HB CYS 11 1HB CYS 11 3.482 -1.643 -1.314 83 H SER 12 H SER 12 4.603 -2.000 -4.509 84 HA SER 12 HA SER 12 7.067 -0.711 -5.586 85 1HB SER 12 2HB SER 12 6.890 -3.250 -6.026 86 2HB SER 12 1HB SER 12 5.556 -2.839 -7.101 87 HG SER 12 HG SER 12 7.352 -2.777 -8.353 88 H SER 13 H SER 13 3.956 -0.167 -4.995 89 HA SER 13 HA SER 13 3.629 1.910 -6.898 90 1HB SER 13 2HB SER 13 3.283 0.337 -8.629 91 2HB SER 13 1HB SER 13 2.377 -0.750 -7.583 92 HG SER 13 HG SER 13 0.707 0.244 -8.392 93 H ASN 14 H ASN 14 1.356 2.819 -6.738 94 HA ASN 14 HA ASN 14 0.507 2.959 -4.026 95 1HB ASN 14 2HB ASN 14 -0.580 3.876 -6.647 96 2HB ASN 14 1HB ASN 14 -1.685 3.853 -5.273 97 1HD2 ASN 14 1HD2 ASN 14 -1.774 6.089 -4.769 98 2HD2 ASN 14 2HD2 ASN 14 -0.411 7.012 -4.354 99 H ARG 15 H ARG 15 -0.764 1.056 -6.755 100 HA ARG 15 HA ARG 15 -2.986 -0.018 -5.262 101 1HB ARG 15 2HB ARG 15 -1.957 -0.189 -7.938 102 2HB ARG 15 1HB ARG 15 -2.310 -1.812 -7.352 103 1HG ARG 15 2HG ARG 15 -4.571 -0.904 -6.592 104 2HG ARG 15 1HG ARG 15 -4.199 0.543 -7.529 105 1HD ARG 15 2HD ARG 15 -4.537 -0.506 -9.520 106 2HD ARG 15 1HD ARG 15 -3.766 -1.996 -8.975 107 HE ARG 15 HE ARG 15 -6.362 -1.543 -7.730 108 1HH1 ARG 15 1HH2 ARG 15 -4.702 -2.824 -10.531 109 2HH1 ARG 15 2HH2 ARG 15 -5.991 -3.908 -10.923 110 1HH2 ARG 15 1HH1 ARG 15 -8.005 -2.959 -8.277 111 2HH2 ARG 15 2HH1 ARG 15 -7.842 -3.985 -9.663 112 H ASP 16 H ASP 16 0.323 -0.680 -5.081 113 HA ASP 16 HA ASP 16 0.066 -3.516 -4.414 114 1HB ASP 16 2HB ASP 16 2.220 -1.565 -4.808 115 2HB ASP 16 1HB ASP 16 2.529 -2.664 -3.466 116 H CYS 17 H CYS 17 -0.812 -0.756 -2.762 117 HA CYS 17 HA CYS 17 0.000 -1.858 -0.116 118 1HB CYS 17 2HB CYS 17 -0.999 0.884 -0.929 119 2HB CYS 17 1HB CYS 17 -0.644 0.405 0.728 120 H CYS 18 H CYS 18 -1.758 -1.338 1.638 121 HA CYS 18 HA CYS 18 -4.238 -2.625 0.745 122 1HB CYS 18 2HB CYS 18 -3.254 -1.796 3.487 123 2HB CYS 18 1HB CYS 18 -4.662 -2.782 3.158 124 H GLU 19 H GLU 19 -6.192 -1.652 2.260 125 HA GLU 19 HA GLU 19 -6.896 0.852 1.084 126 1HB GLU 19 2HB GLU 19 -8.283 -1.102 2.339 127 2HB GLU 19 1HB GLU 19 -8.207 0.090 3.632 128 1HG GLU 19 2HG GLU 19 -10.150 0.732 2.494 129 2HG GLU 19 1HG GLU 19 -8.931 1.780 1.767 130 H LEU 20 H LEU 20 -5.862 0.015 4.368 131 HA LEU 20 HA LEU 20 -5.937 2.607 5.503 132 1HB LEU 20 2HB LEU 20 -4.167 1.736 7.073 133 2HB LEU 20 1HB LEU 20 -5.580 0.693 6.931 134 HG LEU 20 HG LEU 20 -3.492 0.107 4.937 135 1HD1 LEU 20 1HD1 LEU 20 -2.066 0.768 6.860 136 2HD1 LEU 20 2HD1 LEU 20 -1.950 -0.958 6.518 137 3HD1 LEU 20 3HD1 LEU 20 -2.924 -0.392 7.875 138 1HD2 LEU 20 1HD2 LEU 20 -4.389 -1.899 6.936 139 2HD2 LEU 20 2HD2 LEU 20 -4.321 -2.013 5.178 140 3HD2 LEU 20 3HD2 LEU 20 -5.665 -1.177 5.954 141 H THR 21 H THR 21 -3.730 1.251 3.207 142 HA THR 21 HA THR 21 -2.111 3.758 3.323 143 HB THR 21 HB THR 21 -0.205 2.273 2.465 144 HG1 THR 21 1HG THR 21 -1.867 0.257 3.562 145 1HG2 THR 21 1HG2 THR 21 -0.406 3.150 4.806 146 2HG2 THR 21 2HG2 THR 21 0.437 1.604 4.706 147 3HG2 THR 21 3HG2 THR 21 -1.242 1.660 5.245 148 HA PRO 22 HA PRO 22 -3.697 3.320 -0.946 149 1HB PRO 22 2HB PRO 22 -4.503 5.915 -1.200 150 2HB PRO 22 1HB PRO 22 -5.484 4.664 -0.423 151 1HG PRO 22 2HG PRO 22 -4.148 6.962 0.780 152 2HG PRO 22 1HG PRO 22 -5.380 5.895 1.470 153 1HD PRO 22 2HD PRO 22 -2.491 5.848 1.882 154 2HD PRO 22 1HD PRO 22 -3.749 4.929 2.739 155 H VAL 23 H VAL 23 -0.931 4.535 0.276 156 HA VAL 23 HA VAL 23 -0.087 5.614 -2.381 157 HB VAL 23 HB VAL 23 0.824 6.703 0.298 158 1HG1 VAL 23 1HG1 VAL 23 1.506 8.599 -1.408 159 2HG1 VAL 23 2HG1 VAL 23 1.450 7.281 -2.579 160 3HG1 VAL 23 3HG1 VAL 23 2.542 7.187 -1.196 161 1HG2 VAL 23 1HG2 VAL 23 -1.427 7.421 -1.505 162 2HG2 VAL 23 2HG2 VAL 23 -0.481 8.757 -0.851 163 3HG2 VAL 23 3HG2 VAL 23 -1.274 7.622 0.240 164 H CYS 24 H CYS 24 2.061 5.200 -2.925 165 HA CYS 24 HA CYS 24 3.575 3.375 -1.123 166 1HB CYS 24 2HB CYS 24 2.414 1.989 -2.791 167 2HB CYS 24 1HB CYS 24 3.064 2.983 -4.090 168 H LYS 25 H LYS 25 4.968 5.115 -0.632 169 HA LYS 25 HA LYS 25 6.524 6.184 -2.963 170 1HB LYS 25 2HB LYS 25 5.284 7.910 -1.704 171 2HB LYS 25 1HB LYS 25 6.162 7.466 -0.246 172 1HG LYS 25 2HG LYS 25 8.212 8.254 -1.106 173 2HG LYS 25 1HG LYS 25 7.622 8.236 -2.768 174 1HD LYS 25 2HD LYS 25 6.329 10.013 -0.709 175 2HD LYS 25 1HD LYS 25 7.794 10.529 -1.546 176 1HE LYS 25 2HE LYS 25 5.506 9.448 -3.156 177 2HE LYS 25 1HE LYS 25 5.424 11.105 -2.557 178 1HZ LYS 25 1HZ LYS 25 6.435 11.206 -4.665 179 2HZ LYS 25 2HZ LYS 25 7.482 9.912 -4.322 180 3HZ LYS 25 3HZ LYS 25 7.693 11.408 -3.545 181 H ARG 26 H ARG 26 8.723 6.212 -2.837 182 HA ARG 26 HA ARG 26 10.849 5.393 -2.256 183 1HB ARG 26 2HB ARG 26 10.120 6.809 -0.163 184 2HB ARG 26 1HB ARG 26 9.956 5.231 0.608 185 1HG ARG 26 2HG ARG 26 12.294 4.696 -0.107 186 2HG ARG 26 1HG ARG 26 12.444 6.344 -0.715 187 1HD ARG 26 2HD ARG 26 13.339 6.537 1.439 188 2HD ARG 26 1HD ARG 26 11.663 7.027 1.690 189 HE ARG 26 HE ARG 26 11.410 5.142 3.062 190 1HH1 ARG 26 1HH2 ARG 26 14.065 4.625 0.844 191 2HH1 ARG 26 2HH2 ARG 26 14.479 3.097 1.539 192 1HH2 ARG 26 1HH1 ARG 26 11.981 3.161 3.929 193 2HH2 ARG 26 2HH1 ARG 26 13.314 2.276 3.267 194 H GLY 27 H GLY 27 8.564 3.527 -2.791 195 1HA GLY 27 2HA GLY 27 8.223 1.207 -2.811 196 2HA GLY 27 1HA GLY 27 9.880 1.049 -2.219 197 H SER 28 H SER 28 7.370 2.876 -0.550 198 HA SER 28 HA SER 28 7.098 0.721 1.461 199 1HB SER 28 2HB SER 28 7.881 3.582 2.091 200 2HB SER 28 1HB SER 28 7.465 2.359 3.288 201 HG SER 28 HG SER 28 9.210 1.098 2.366 202 H CYS 29 H CYS 29 5.021 0.527 2.043 203 HA CYS 29 HA CYS 29 2.967 2.169 0.888 204 1HB CYS 29 2HB CYS 29 2.955 0.038 3.034 205 2HB CYS 29 1HB CYS 29 1.484 0.883 2.553 206 H VAL 30 H VAL 30 1.687 3.755 1.828 207 HA VAL 30 HA VAL 30 2.101 4.508 4.643 208 HB VAL 30 HB VAL 30 2.600 6.880 4.031 209 1HG1 VAL 30 1HG1 VAL 30 4.684 5.117 2.760 210 2HG1 VAL 30 2HG1 VAL 30 4.349 5.000 4.488 211 3HG1 VAL 30 3HG1 VAL 30 4.909 6.524 3.800 212 1HG2 VAL 30 1HG2 VAL 30 2.430 5.673 1.301 213 2HG2 VAL 30 2HG2 VAL 30 3.643 6.924 1.567 214 3HG2 VAL 30 3HG2 VAL 30 1.939 7.273 1.853 215 H SER 31 H SER 31 0.510 6.208 5.290 216 HA SER 31 HA SER 31 -2.022 5.839 3.789 217 1HB SER 31 2HB SER 31 -3.099 6.703 5.822 218 2HB SER 31 1HB SER 31 -2.009 5.378 6.221 219 HG SER 31 HG SER 31 -0.539 6.820 6.986 220 H SER 32 H SER 32 0.068 7.651 2.779 221 HA SER 32 HA SER 32 -1.517 9.881 2.029 222 1HB SER 32 2HB SER 32 -1.367 10.738 4.262 223 2HB SER 32 1HB SER 32 0.348 10.353 4.368 224 HG SER 32 HG SER 32 -0.945 12.488 3.179 Start of MODEL 4 1 1H LEU 1 1HT LEU 1 -15.279 -8.811 -0.076 2 2H LEU 1 2HT LEU 1 -16.472 -7.607 0.047 3 3H LEU 1 3HT LEU 1 -15.221 -7.687 1.194 4 HA LEU 1 HA LEU 1 -14.843 -7.103 -1.692 5 1HB LEU 1 2HB LEU 1 -14.306 -4.803 -0.858 6 2HB LEU 1 1HB LEU 1 -15.994 -5.252 -0.607 7 HG LEU 1 HG LEU 1 -14.122 -5.947 1.594 8 1HD1 LEU 1 1HD1 LEU 1 -13.194 -3.835 1.434 9 2HD1 LEU 1 2HD1 LEU 1 -14.629 -3.450 2.384 10 3HD1 LEU 1 3HD1 LEU 1 -14.617 -3.155 0.646 11 1HD2 LEU 1 1HD2 LEU 1 -16.026 -5.593 2.923 12 2HD2 LEU 1 2HD2 LEU 1 -16.727 -6.173 1.412 13 3HD2 LEU 1 3HD2 LEU 1 -16.728 -4.449 1.779 14 H LEU 2 H LEU 2 -12.611 -6.322 -2.084 15 HA LEU 2 HA LEU 2 -10.658 -7.364 -0.072 16 1HB LEU 2 2HB LEU 2 -11.162 -8.517 -2.542 17 2HB LEU 2 1HB LEU 2 -9.767 -7.494 -2.873 18 HG LEU 2 HG LEU 2 -9.047 -9.736 -2.170 19 1HD1 LEU 2 1HD1 LEU 2 -7.612 -7.861 -1.559 20 2HD1 LEU 2 2HD1 LEU 2 -7.593 -9.057 -0.263 21 3HD1 LEU 2 3HD1 LEU 2 -8.549 -7.586 -0.091 22 1HD2 LEU 2 1HD2 LEU 2 -9.590 -9.880 0.553 23 2HD2 LEU 2 2HD2 LEU 2 -10.409 -10.801 -0.706 24 3HD2 LEU 2 3HD2 LEU 2 -11.108 -9.291 -0.128 25 H ALA 3 H ALA 3 -9.384 -5.731 0.615 26 HA ALA 3 HA ALA 3 -8.374 -3.749 -1.339 27 1HB ALA 3 1HB ALA 3 -9.719 -2.893 1.241 28 2HB ALA 3 2HB ALA 3 -10.490 -2.812 -0.343 29 3HB ALA 3 3HB ALA 3 -9.056 -1.841 -0.009 30 H CYS 4 H CYS 4 -7.033 -5.875 -0.024 31 HA CYS 4 HA CYS 4 -4.776 -4.531 1.055 32 1HB CYS 4 2HB CYS 4 -6.262 -4.172 3.010 33 2HB CYS 4 1HB CYS 4 -6.523 -5.909 3.121 34 H LEU 5 H LEU 5 -3.618 -5.927 -0.259 35 HA LEU 5 HA LEU 5 -3.755 -8.831 0.458 36 1HB LEU 5 2HB LEU 5 -2.941 -9.258 -1.875 37 2HB LEU 5 1HB LEU 5 -4.534 -8.501 -1.821 38 HG LEU 5 HG LEU 5 -2.163 -6.693 -1.913 39 1HD1 LEU 5 1HD1 LEU 5 -1.807 -6.954 -4.247 40 2HD1 LEU 5 2HD1 LEU 5 -3.251 -7.950 -4.436 41 3HD1 LEU 5 3HD1 LEU 5 -1.834 -8.599 -3.613 42 1HD2 LEU 5 1HD2 LEU 5 -4.560 -6.423 -3.660 43 2HD2 LEU 5 2HD2 LEU 5 -3.699 -5.193 -2.735 44 3HD2 LEU 5 3HD2 LEU 5 -4.830 -6.277 -1.923 45 H PHE 6 H PHE 6 -2.028 -6.575 1.548 46 HA PHE 6 HA PHE 6 0.612 -7.822 0.906 47 1HB PHE 6 2HB PHE 6 -0.242 -5.007 0.923 48 2HB PHE 6 1HB PHE 6 1.213 -5.299 1.871 49 HD1 PHE 6 1HD PHE 6 3.251 -5.201 0.758 50 HD2 PHE 6 2HD PHE 6 -0.269 -6.342 -1.421 51 HE1 PHE 6 1HE PHE 6 4.587 -5.345 -1.326 52 HE2 PHE 6 2HE PHE 6 1.066 -6.486 -3.506 53 HZ PHE 6 HZ PHE 6 3.496 -5.987 -3.458 54 H GLY 7 H GLY 7 -0.384 -5.458 3.385 55 1HA GLY 7 2HA GLY 7 -0.691 -5.901 5.730 56 2HA GLY 7 1HA GLY 7 0.009 -7.500 5.493 57 H ASN 8 H ASN 8 2.216 -6.074 3.841 58 HA ASN 8 HA ASN 8 3.908 -5.456 6.204 59 1HB ASN 8 2HB ASN 8 4.433 -7.068 4.105 60 2HB ASN 8 1HB ASN 8 5.074 -5.553 3.467 61 1HD2 ASN 8 1HD2 ASN 8 5.494 -7.997 5.990 62 2HD2 ASN 8 2HD2 ASN 8 6.994 -7.424 6.542 63 H GLY 9 H GLY 9 5.780 -3.774 5.310 64 1HA GLY 9 2HA GLY 9 4.230 -1.354 4.491 65 2HA GLY 9 1HA GLY 9 5.672 -1.311 5.504 66 H ARG 10 H ARG 10 5.624 -3.451 2.753 67 HA ARG 10 HA ARG 10 7.416 -1.552 1.288 68 1HB ARG 10 2HB ARG 10 7.590 -4.582 1.326 69 2HB ARG 10 1HB ARG 10 8.690 -3.482 0.496 70 1HG ARG 10 2HG ARG 10 8.763 -2.476 3.042 71 2HG ARG 10 1HG ARG 10 8.547 -4.196 3.362 72 1HD ARG 10 2HD ARG 10 10.847 -4.141 3.183 73 2HD ARG 10 1HD ARG 10 10.439 -4.401 1.487 74 HE ARG 10 HE ARG 10 10.473 -1.604 1.923 75 1HH1 ARG 10 1HH2 ARG 10 12.691 -4.308 1.973 76 2HH1 ARG 10 2HH2 ARG 10 14.049 -3.331 1.537 77 1HH2 ARG 10 1HH1 ARG 10 12.256 -0.378 1.361 78 2HH2 ARG 10 2HH1 ARG 10 13.808 -1.130 1.194 79 H CYS 11 H CYS 11 6.935 -1.256 -0.883 80 HA CYS 11 HA CYS 11 5.053 -3.111 -2.216 81 1HB CYS 11 2HB CYS 11 3.654 -1.108 -2.952 82 2HB CYS 11 1HB CYS 11 3.462 -1.600 -1.276 83 H SER 12 H SER 12 4.535 -2.054 -4.482 84 HA SER 12 HA SER 12 7.026 -0.860 -5.611 85 1HB SER 12 2HB SER 12 6.538 -3.439 -6.014 86 2HB SER 12 1HB SER 12 5.433 -2.808 -7.231 87 HG SER 12 HG SER 12 8.231 -2.522 -7.017 88 H SER 13 H SER 13 3.911 -0.231 -4.986 89 HA SER 13 HA SER 13 3.641 1.900 -6.828 90 1HB SER 13 2HB SER 13 3.287 0.390 -8.616 91 2HB SER 13 1HB SER 13 2.345 -0.710 -7.616 92 HG SER 13 HG SER 13 1.621 1.695 -8.845 93 H ASN 14 H ASN 14 1.351 2.819 -6.682 94 HA ASN 14 HA ASN 14 0.490 2.924 -3.977 95 1HB ASN 14 2HB ASN 14 -0.610 3.845 -6.593 96 2HB ASN 14 1HB ASN 14 -1.703 3.819 -5.208 97 1HD2 ASN 14 1HD2 ASN 14 -1.787 6.073 -4.750 98 2HD2 ASN 14 2HD2 ASN 14 -0.422 6.990 -4.327 99 H ARG 15 H ARG 15 -0.767 1.033 -6.721 100 HA ARG 15 HA ARG 15 -2.982 -0.064 -5.231 101 1HB ARG 15 2HB ARG 15 -1.938 -0.228 -7.914 102 2HB ARG 15 1HB ARG 15 -2.354 -1.838 -7.333 103 1HG ARG 15 2HG ARG 15 -4.596 -0.951 -6.647 104 2HG ARG 15 1HG ARG 15 -4.171 0.589 -7.396 105 1HD ARG 15 2HD ARG 15 -3.701 -0.757 -9.529 106 2HD ARG 15 1HD ARG 15 -4.530 -2.096 -8.737 107 HE ARG 15 HE ARG 15 -5.788 0.295 -9.829 108 1HH1 ARG 15 1HH2 ARG 15 -6.053 -2.259 -7.454 109 2HH1 ARG 15 2HH2 ARG 15 -7.775 -2.134 -7.366 110 1HH2 ARG 15 1HH1 ARG 15 -8.017 0.422 -9.683 111 2HH2 ARG 15 2HH1 ARG 15 -8.877 -0.634 -8.614 112 H ASP 16 H ASP 16 0.329 -0.722 -5.077 113 HA ASP 16 HA ASP 16 0.063 -3.566 -4.423 114 1HB ASP 16 2HB ASP 16 2.224 -1.639 -4.875 115 2HB ASP 16 1HB ASP 16 2.558 -2.724 -3.527 116 H CYS 17 H CYS 17 -0.762 -0.805 -2.757 117 HA CYS 17 HA CYS 17 0.130 -1.874 -0.126 118 1HB CYS 17 2HB CYS 17 -0.961 0.829 -0.951 119 2HB CYS 17 1HB CYS 17 -0.587 0.379 0.713 120 H CYS 18 H CYS 18 -1.610 -1.341 1.667 121 HA CYS 18 HA CYS 18 -4.058 -2.737 0.859 122 1HB CYS 18 2HB CYS 18 -2.798 -1.932 3.467 123 2HB CYS 18 1HB CYS 18 -4.451 -2.501 3.404 124 H GLU 19 H GLU 19 -6.052 -1.793 2.290 125 HA GLU 19 HA GLU 19 -6.836 0.641 1.036 126 1HB GLU 19 2HB GLU 19 -8.157 -1.322 2.342 127 2HB GLU 19 1HB GLU 19 -8.139 -0.089 3.599 128 1HG GLU 19 2HG GLU 19 -9.293 1.476 2.243 129 2HG GLU 19 1HG GLU 19 -8.971 0.558 0.770 130 H LEU 20 H LEU 20 -5.848 -0.006 4.383 131 HA LEU 20 HA LEU 20 -6.044 2.645 5.362 132 1HB LEU 20 2HB LEU 20 -4.392 1.924 7.089 133 2HB LEU 20 1HB LEU 20 -5.713 0.776 6.881 134 HG LEU 20 HG LEU 20 -3.421 0.278 5.092 135 1HD1 LEU 20 1HD1 LEU 20 -3.090 -0.155 8.076 136 2HD1 LEU 20 2HD1 LEU 20 -2.268 1.106 7.158 137 3HD1 LEU 20 3HD1 LEU 20 -1.939 -0.591 6.813 138 1HD2 LEU 20 1HD2 LEU 20 -5.416 -1.196 6.726 139 2HD2 LEU 20 2HD2 LEU 20 -3.861 -2.000 6.515 140 3HD2 LEU 20 3HD2 LEU 20 -4.813 -1.541 5.106 141 H THR 21 H THR 21 -3.724 1.254 3.209 142 HA THR 21 HA THR 21 -2.129 3.781 3.339 143 HB THR 21 HB THR 21 -0.221 2.244 2.487 144 HG1 THR 21 1HG THR 21 -1.853 0.481 2.245 145 1HG2 THR 21 1HG2 THR 21 -1.339 2.435 5.249 146 2HG2 THR 21 2HG2 THR 21 0.188 3.044 4.612 147 3HG2 THR 21 3HG2 THR 21 0.007 1.329 4.978 148 HA PRO 22 HA PRO 22 -3.650 3.287 -0.955 149 1HB PRO 22 2HB PRO 22 -4.469 5.870 -1.258 150 2HB PRO 22 1HB PRO 22 -5.459 4.618 -0.497 151 1HG PRO 22 2HG PRO 22 -4.136 6.927 0.722 152 2HG PRO 22 1HG PRO 22 -5.433 5.908 1.361 153 1HD PRO 22 2HD PRO 22 -2.605 5.810 1.984 154 2HD PRO 22 1HD PRO 22 -3.922 4.852 2.695 155 H VAL 23 H VAL 23 -0.920 4.568 0.315 156 HA VAL 23 HA VAL 23 -0.060 5.641 -2.344 157 HB VAL 23 HB VAL 23 0.836 6.685 0.358 158 1HG1 VAL 23 1HG1 VAL 23 1.656 8.569 -1.251 159 2HG1 VAL 23 2HG1 VAL 23 1.511 7.339 -2.505 160 3HG1 VAL 23 3HG1 VAL 23 2.602 7.086 -1.143 161 1HG2 VAL 23 1HG2 VAL 23 -1.487 7.308 -0.091 162 2HG2 VAL 23 2HG2 VAL 23 -1.044 7.864 -1.705 163 3HG2 VAL 23 3HG2 VAL 23 -0.441 8.715 -0.282 164 H CYS 24 H CYS 24 2.106 5.244 -2.891 165 HA CYS 24 HA CYS 24 3.620 3.379 -1.135 166 1HB CYS 24 2HB CYS 24 2.409 2.001 -2.766 167 2HB CYS 24 1HB CYS 24 3.031 2.986 -4.084 168 H LYS 25 H LYS 25 5.017 5.155 -0.691 169 HA LYS 25 HA LYS 25 6.549 6.173 -3.059 170 1HB LYS 25 2HB LYS 25 5.359 7.896 -1.725 171 2HB LYS 25 1HB LYS 25 6.321 7.445 -0.326 172 1HG LYS 25 2HG LYS 25 7.809 8.993 -1.045 173 2HG LYS 25 1HG LYS 25 8.230 7.834 -2.300 174 1HD LYS 25 2HD LYS 25 7.723 9.943 -3.373 175 2HD LYS 25 1HD LYS 25 6.409 8.821 -3.729 176 1HE LYS 25 2HE LYS 25 4.939 9.866 -2.220 177 2HE LYS 25 1HE LYS 25 6.253 10.645 -1.338 178 1HZ LYS 25 1HZ LYS 25 5.739 11.274 -4.176 179 2HZ LYS 25 2HZ LYS 25 6.570 12.195 -3.014 180 3HZ LYS 25 3HZ LYS 25 4.878 12.055 -2.941 181 H ARG 26 H ARG 26 8.721 6.059 -3.041 182 HA ARG 26 HA ARG 26 10.843 5.183 -2.533 183 1HB ARG 26 2HB ARG 26 10.253 6.725 -0.470 184 2HB ARG 26 1HB ARG 26 10.120 5.184 0.378 185 1HG ARG 26 2HG ARG 26 12.380 4.598 -0.132 186 2HG ARG 26 1HG ARG 26 12.526 5.908 -1.304 187 1HD ARG 26 2HD ARG 26 13.446 7.097 0.392 188 2HD ARG 26 1HD ARG 26 11.801 7.247 1.007 189 HE ARG 26 HE ARG 26 12.397 5.789 2.748 190 1HH1 ARG 26 1HH2 ARG 26 14.621 5.407 0.076 191 2HH1 ARG 26 2HH2 ARG 26 15.633 4.308 0.944 192 1HH2 ARG 26 1HH1 ARG 26 13.735 4.362 3.835 193 2HH2 ARG 26 2HH1 ARG 26 15.140 3.721 3.050 194 H GLY 27 H GLY 27 8.494 3.376 -2.875 195 1HA GLY 27 2HA GLY 27 8.090 1.066 -2.769 196 2HA GLY 27 1HA GLY 27 9.754 0.888 -2.208 197 H SER 28 H SER 28 7.337 2.872 -0.586 198 HA SER 28 HA SER 28 7.059 0.836 1.554 199 1HB SER 28 2HB SER 28 8.065 3.669 1.894 200 2HB SER 28 1HB SER 28 7.392 2.737 3.229 201 HG SER 28 HG SER 28 9.846 2.673 2.304 202 H CYS 29 H CYS 29 4.957 0.656 2.026 203 HA CYS 29 HA CYS 29 2.944 2.343 0.883 204 1HB CYS 29 2HB CYS 29 2.844 0.274 3.094 205 2HB CYS 29 1HB CYS 29 1.409 1.081 2.462 206 H VAL 30 H VAL 30 1.699 3.966 1.810 207 HA VAL 30 HA VAL 30 2.124 4.712 4.626 208 HB VAL 30 HB VAL 30 2.655 7.081 4.006 209 1HG1 VAL 30 1HG1 VAL 30 4.370 5.193 4.518 210 2HG1 VAL 30 2HG1 VAL 30 4.966 6.690 3.799 211 3HG1 VAL 30 3HG1 VAL 30 4.727 5.261 2.792 212 1HG2 VAL 30 1HG2 VAL 30 1.993 7.420 1.805 213 2HG2 VAL 30 2HG2 VAL 30 2.575 5.842 1.275 214 3HG2 VAL 30 3HG2 VAL 30 3.720 7.147 1.580 215 H SER 31 H SER 31 0.564 6.392 5.300 216 HA SER 31 HA SER 31 -1.984 6.079 3.832 217 1HB SER 31 2HB SER 31 -2.964 7.115 5.887 218 2HB SER 31 1HB SER 31 -2.041 5.655 6.228 219 HG SER 31 HG SER 31 -1.652 8.165 7.106 220 H SER 32 H SER 32 -0.226 7.683 2.425 221 HA SER 32 HA SER 32 -0.096 9.777 1.380 222 1HB SER 32 2HB SER 32 -2.623 9.409 1.360 223 2HB SER 32 1HB SER 32 -2.691 10.418 2.802 224 HG SER 32 HG SER 32 -2.972 11.704 0.985 Start of MODEL 5 1 1H LEU 1 1HT LEU 1 -14.446 -9.150 -2.558 2 2H LEU 1 2HT LEU 1 -13.376 -8.364 -3.618 3 3H LEU 1 3HT LEU 1 -14.980 -7.821 -3.468 4 HA LEU 1 HA LEU 1 -13.801 -6.291 -2.212 5 1HB LEU 1 2HB LEU 1 -14.791 -8.533 -0.429 6 2HB LEU 1 1HB LEU 1 -14.303 -6.951 0.183 7 HG LEU 1 HG LEU 1 -15.967 -6.137 -1.760 8 1HD1 LEU 1 1HD1 LEU 1 -16.667 -8.978 -1.152 9 2HD1 LEU 1 2HD1 LEU 1 -16.827 -8.083 -2.663 10 3HD1 LEU 1 3HD1 LEU 1 -17.990 -7.831 -1.361 11 1HD2 LEU 1 1HD2 LEU 1 -16.428 -5.321 0.367 12 2HD2 LEU 1 2HD2 LEU 1 -16.425 -6.925 1.096 13 3HD2 LEU 1 3HD2 LEU 1 -17.807 -6.396 0.137 14 H LEU 2 H LEU 2 -11.560 -6.433 -2.811 15 HA LEU 2 HA LEU 2 -9.886 -7.720 -0.715 16 1HB LEU 2 2HB LEU 2 -10.132 -8.982 -3.072 17 2HB LEU 2 1HB LEU 2 -8.874 -7.829 -3.519 18 HG LEU 2 HG LEU 2 -7.770 -8.593 -1.255 19 1HD1 LEU 2 1HD1 LEU 2 -10.006 -10.071 -1.009 20 2HD1 LEU 2 2HD1 LEU 2 -8.456 -10.590 -0.345 21 3HD1 LEU 2 3HD1 LEU 2 -9.008 -11.225 -1.894 22 1HD2 LEU 2 1HD2 LEU 2 -7.848 -10.168 -3.839 23 2HD2 LEU 2 2HD2 LEU 2 -6.719 -10.544 -2.536 24 3HD2 LEU 2 3HD2 LEU 2 -6.653 -8.973 -3.335 25 H ALA 3 H ALA 3 -9.868 -5.399 -0.054 26 HA ALA 3 HA ALA 3 -8.173 -3.674 -1.797 27 1HB ALA 3 1HB ALA 3 -9.158 -1.833 -0.801 28 2HB ALA 3 2HB ALA 3 -9.406 -2.665 0.734 29 3HB ALA 3 3HB ALA 3 -10.474 -2.995 -0.629 30 H CYS 4 H CYS 4 -6.954 -5.852 -0.401 31 HA CYS 4 HA CYS 4 -4.767 -4.529 0.850 32 1HB CYS 4 2HB CYS 4 -6.383 -4.166 2.690 33 2HB CYS 4 1HB CYS 4 -6.680 -5.901 2.768 34 H LEU 5 H LEU 5 -3.550 -5.939 -0.413 35 HA LEU 5 HA LEU 5 -3.716 -8.834 0.333 36 1HB LEU 5 2HB LEU 5 -2.820 -9.301 -1.958 37 2HB LEU 5 1HB LEU 5 -4.414 -8.548 -1.981 38 HG LEU 5 HG LEU 5 -2.105 -6.681 -1.991 39 1HD1 LEU 5 1HD1 LEU 5 -2.730 -8.582 -4.254 40 2HD1 LEU 5 2HD1 LEU 5 -1.159 -8.207 -3.544 41 3HD1 LEU 5 3HD1 LEU 5 -1.983 -7.010 -4.544 42 1HD2 LEU 5 1HD2 LEU 5 -4.881 -6.893 -3.059 43 2HD2 LEU 5 2HD2 LEU 5 -3.746 -5.908 -3.982 44 3HD2 LEU 5 3HD2 LEU 5 -4.075 -5.525 -2.292 45 H PHE 6 H PHE 6 -2.070 -6.590 1.488 46 HA PHE 6 HA PHE 6 0.617 -7.786 0.948 47 1HB PHE 6 2HB PHE 6 -0.292 -4.994 0.879 48 2HB PHE 6 1HB PHE 6 1.112 -5.230 1.919 49 HD1 PHE 6 1HD PHE 6 -0.192 -6.104 -1.485 50 HD2 PHE 6 2HD PHE 6 3.252 -5.362 0.974 51 HE1 PHE 6 1HE PHE 6 1.267 -6.246 -3.485 52 HE2 PHE 6 2HE PHE 6 4.711 -5.503 -1.027 53 HZ PHE 6 HZ PHE 6 3.718 -5.946 -3.256 54 H GLY 7 H GLY 7 -0.560 -5.435 3.362 55 1HA GLY 7 2HA GLY 7 -0.833 -5.723 5.704 56 2HA GLY 7 1HA GLY 7 -0.379 -7.417 5.520 57 H ASN 8 H ASN 8 1.567 -4.815 4.195 58 HA ASN 8 HA ASN 8 3.483 -4.980 6.449 59 1HB ASN 8 2HB ASN 8 3.859 -6.681 4.366 60 2HB ASN 8 1HB ASN 8 4.712 -5.262 3.759 61 1HD2 ASN 8 1HD2 ASN 8 6.901 -5.641 4.184 62 2HD2 ASN 8 2HD2 ASN 8 7.521 -6.146 5.683 63 H GLY 9 H GLY 9 5.595 -3.612 5.212 64 1HA GLY 9 2HA GLY 9 4.286 -1.037 4.428 65 2HA GLY 9 1HA GLY 9 5.711 -1.104 5.463 66 H ARG 10 H ARG 10 5.468 -3.315 2.773 67 HA ARG 10 HA ARG 10 7.463 -1.658 1.275 68 1HB ARG 10 2HB ARG 10 7.368 -4.687 1.391 69 2HB ARG 10 1HB ARG 10 8.608 -3.696 0.625 70 1HG ARG 10 2HG ARG 10 8.195 -2.986 3.440 71 2HG ARG 10 1HG ARG 10 8.681 -4.667 3.235 72 1HD ARG 10 2HD ARG 10 10.570 -3.882 1.782 73 2HD ARG 10 1HD ARG 10 10.125 -2.221 2.175 74 HE ARG 10 HE ARG 10 11.158 -2.513 4.263 75 1HH1 ARG 10 1HH2 ARG 10 10.393 -5.632 2.877 76 2HH1 ARG 10 2HH2 ARG 10 11.162 -6.502 4.157 77 1HH2 ARG 10 1HH1 ARG 10 12.146 -3.680 5.898 78 2HH2 ARG 10 2HH1 ARG 10 12.146 -5.411 5.849 79 H CYS 11 H CYS 11 6.926 -1.284 -0.848 80 HA CYS 11 HA CYS 11 5.055 -3.115 -2.228 81 1HB CYS 11 2HB CYS 11 3.664 -1.106 -2.955 82 2HB CYS 11 1HB CYS 11 3.452 -1.618 -1.288 83 H SER 12 H SER 12 4.563 -2.018 -4.486 84 HA SER 12 HA SER 12 7.042 -0.760 -5.562 85 1HB SER 12 2HB SER 12 6.880 -2.243 -7.547 86 2HB SER 12 1HB SER 12 7.172 -3.157 -6.070 87 HG SER 12 HG SER 12 5.167 -3.919 -6.129 88 H SER 13 H SER 13 3.949 -0.188 -4.991 89 HA SER 13 HA SER 13 3.622 1.838 -6.946 90 1HB SER 13 2HB SER 13 3.250 0.227 -8.635 91 2HB SER 13 1HB SER 13 2.358 -0.835 -7.551 92 HG SER 13 HG SER 13 0.647 0.153 -8.254 93 H ASN 14 H ASN 14 1.354 2.764 -6.783 94 HA ASN 14 HA ASN 14 0.536 2.973 -4.067 95 1HB ASN 14 2HB ASN 14 -0.578 3.829 -6.697 96 2HB ASN 14 1HB ASN 14 -1.668 3.844 -5.310 97 1HD2 ASN 14 1HD2 ASN 14 -1.737 6.120 -4.943 98 2HD2 ASN 14 2HD2 ASN 14 -0.369 7.036 -4.532 99 H ARG 15 H ARG 15 -0.821 1.046 -6.745 100 HA ARG 15 HA ARG 15 -2.995 -0.003 -5.166 101 1HB ARG 15 2HB ARG 15 -2.041 -0.224 -7.879 102 2HB ARG 15 1HB ARG 15 -2.457 -1.819 -7.256 103 1HG ARG 15 2HG ARG 15 -4.691 -1.164 -6.773 104 2HG ARG 15 1HG ARG 15 -4.307 0.550 -6.933 105 1HD ARG 15 2HD ARG 15 -3.578 -0.326 -9.396 106 2HD ARG 15 1HD ARG 15 -4.875 -1.466 -9.036 107 HE ARG 15 HE ARG 15 -5.659 1.259 -8.442 108 1HH1 ARG 15 1HH2 ARG 15 -5.263 -1.066 -11.025 109 2HH1 ARG 15 2HH2 ARG 15 -6.439 -0.297 -12.032 110 1HH2 ARG 15 1HH1 ARG 15 -7.174 2.220 -9.778 111 2HH2 ARG 15 2HH1 ARG 15 -7.510 1.543 -11.337 112 H ASP 16 H ASP 16 0.312 -0.684 -5.093 113 HA ASP 16 HA ASP 16 0.074 -3.519 -4.426 114 1HB ASP 16 2HB ASP 16 2.217 -1.559 -4.851 115 2HB ASP 16 1HB ASP 16 2.556 -2.670 -3.526 116 H CYS 17 H CYS 17 -0.752 -0.752 -2.744 117 HA CYS 17 HA CYS 17 0.130 -1.840 -0.120 118 1HB CYS 17 2HB CYS 17 -0.960 0.863 -0.937 119 2HB CYS 17 1HB CYS 17 -0.613 0.406 0.730 120 H CYS 18 H CYS 18 -1.613 -1.329 1.671 121 HA CYS 18 HA CYS 18 -4.074 -2.708 0.836 122 1HB CYS 18 2HB CYS 18 -2.726 -2.063 3.433 123 2HB CYS 18 1HB CYS 18 -4.414 -2.516 3.420 124 H GLU 19 H GLU 19 -5.992 -1.774 2.459 125 HA GLU 19 HA GLU 19 -6.790 0.713 1.296 126 1HB GLU 19 2HB GLU 19 -8.084 -1.279 2.612 127 2HB GLU 19 1HB GLU 19 -8.006 -0.064 3.884 128 1HG GLU 19 2HG GLU 19 -8.811 0.886 1.180 129 2HG GLU 19 1HG GLU 19 -9.981 -0.102 2.055 130 H LEU 20 H LEU 20 -5.574 -0.122 4.513 131 HA LEU 20 HA LEU 20 -5.677 2.467 5.670 132 1HB LEU 20 2HB LEU 20 -3.889 1.628 7.204 133 2HB LEU 20 1HB LEU 20 -5.245 0.511 7.044 134 HG LEU 20 HG LEU 20 -3.178 0.051 5.013 135 1HD1 LEU 20 1HD1 LEU 20 -1.491 -0.871 6.525 136 2HD1 LEU 20 2HD1 LEU 20 -2.447 -0.384 7.925 137 3HD1 LEU 20 3HD1 LEU 20 -1.730 0.840 6.878 138 1HD2 LEU 20 1HD2 LEU 20 -3.391 -2.261 6.348 139 2HD2 LEU 20 2HD2 LEU 20 -4.640 -1.727 5.225 140 3HD2 LEU 20 3HD2 LEU 20 -4.852 -1.482 6.957 141 H THR 21 H THR 21 -3.562 1.204 3.246 142 HA THR 21 HA THR 21 -1.958 3.718 3.376 143 HB THR 21 HB THR 21 -0.102 2.216 2.343 144 HG1 THR 21 1HG THR 21 -0.292 0.051 2.944 145 1HG2 THR 21 1HG2 THR 21 -1.004 2.422 5.174 146 2HG2 THR 21 2HG2 THR 21 0.500 2.968 4.429 147 3HG2 THR 21 3HG2 THR 21 0.279 1.263 4.822 148 HA PRO 22 HA PRO 22 -3.723 3.376 -0.827 149 1HB PRO 22 2HB PRO 22 -4.447 5.996 -1.033 150 2HB PRO 22 1HB PRO 22 -5.437 4.775 -0.218 151 1HG PRO 22 2HG PRO 22 -3.937 7.006 0.933 152 2HG PRO 22 1HG PRO 22 -5.216 6.021 1.657 153 1HD PRO 22 2HD PRO 22 -2.344 5.808 2.037 154 2HD PRO 22 1HD PRO 22 -3.637 4.907 2.859 155 H VAL 23 H VAL 23 -0.884 4.599 0.309 156 HA VAL 23 HA VAL 23 -0.108 5.541 -2.420 157 HB VAL 23 HB VAL 23 0.800 6.806 0.181 158 1HG1 VAL 23 1HG1 VAL 23 1.364 7.394 -2.735 159 2HG1 VAL 23 2HG1 VAL 23 2.531 6.988 -1.476 160 3HG1 VAL 23 3HG1 VAL 23 1.699 8.544 -1.439 161 1HG2 VAL 23 1HG2 VAL 23 -1.396 7.408 -1.731 162 2HG2 VAL 23 2HG2 VAL 23 -0.459 8.780 -1.137 163 3HG2 VAL 23 3HG2 VAL 23 -1.294 7.723 0.002 164 H CYS 24 H CYS 24 2.046 5.147 -2.978 165 HA CYS 24 HA CYS 24 3.590 3.374 -1.145 166 1HB CYS 24 2HB CYS 24 2.432 1.967 -2.798 167 2HB CYS 24 1HB CYS 24 3.078 2.952 -4.108 168 H LYS 25 H LYS 25 4.960 5.153 -0.677 169 HA LYS 25 HA LYS 25 6.496 6.213 -3.028 170 1HB LYS 25 2HB LYS 25 5.298 7.936 -1.724 171 2HB LYS 25 1HB LYS 25 6.206 7.469 -0.292 172 1HG LYS 25 2HG LYS 25 8.313 8.026 -1.473 173 2HG LYS 25 1HG LYS 25 7.376 8.533 -2.879 174 1HD LYS 25 2HD LYS 25 7.017 9.732 -0.121 175 2HD LYS 25 1HD LYS 25 8.077 10.424 -1.349 176 1HE LYS 25 2HE LYS 25 5.868 10.164 -2.841 177 2HE LYS 25 1HE LYS 25 5.098 10.312 -1.262 178 1HZ LYS 25 1HZ LYS 25 6.849 12.239 -2.650 179 2HZ LYS 25 2HZ LYS 25 6.663 12.295 -0.962 180 3HZ LYS 25 3HZ LYS 25 5.313 12.490 -1.976 181 H ARG 26 H ARG 26 8.676 6.176 -2.984 182 HA ARG 26 HA ARG 26 10.809 5.328 -2.472 183 1HB ARG 26 2HB ARG 26 10.177 6.798 -0.380 184 2HB ARG 26 1HB ARG 26 10.032 5.236 0.426 185 1HG ARG 26 2HG ARG 26 12.300 4.678 -0.012 186 2HG ARG 26 1HG ARG 26 12.470 5.978 -1.194 187 1HD ARG 26 2HD ARG 26 11.668 6.808 1.542 188 2HD ARG 26 1HD ARG 26 13.314 6.202 1.369 189 HE ARG 26 HE ARG 26 12.615 8.160 -0.671 190 1HH1 ARG 26 1HH2 ARG 26 13.784 7.710 2.595 191 2HH1 ARG 26 2HH2 ARG 26 14.579 9.244 2.628 192 1HH2 ARG 26 1HH1 ARG 26 13.662 10.135 -0.585 193 2HH2 ARG 26 2HH1 ARG 26 14.513 10.603 0.849 194 H GLY 27 H GLY 27 8.491 3.491 -2.897 195 1HA GLY 27 2HA GLY 27 8.113 1.177 -2.860 196 2HA GLY 27 1HA GLY 27 9.782 1.001 -2.311 197 H SER 28 H SER 28 7.352 2.904 -0.611 198 HA SER 28 HA SER 28 7.109 0.800 1.461 199 1HB SER 28 2HB SER 28 7.535 3.620 2.356 200 2HB SER 28 1HB SER 28 7.924 2.114 3.181 201 HG SER 28 HG SER 28 9.802 3.134 2.410 202 H CYS 29 H CYS 29 5.035 0.611 2.026 203 HA CYS 29 HA CYS 29 2.975 2.254 0.897 204 1HB CYS 29 2HB CYS 29 2.983 0.150 3.070 205 2HB CYS 29 1HB CYS 29 1.507 0.975 2.569 206 H VAL 30 H VAL 30 1.677 3.821 1.853 207 HA VAL 30 HA VAL 30 2.150 4.605 4.656 208 HB VAL 30 HB VAL 30 2.553 6.984 4.017 209 1HG1 VAL 30 1HG1 VAL 30 4.383 5.197 4.433 210 2HG1 VAL 30 2HG1 VAL 30 4.868 6.703 3.654 211 3HG1 VAL 30 3HG1 VAL 30 4.630 5.247 2.688 212 1HG2 VAL 30 1HG2 VAL 30 1.738 7.280 1.855 213 2HG2 VAL 30 2HG2 VAL 30 2.401 5.749 1.285 214 3HG2 VAL 30 3HG2 VAL 30 3.467 7.130 1.541 215 H SER 31 H SER 31 0.523 6.255 5.343 216 HA SER 31 HA SER 31 -2.057 5.718 4.014 217 1HB SER 31 2HB SER 31 -1.358 7.098 6.614 218 2HB SER 31 1HB SER 31 -3.003 6.877 6.026 219 HG SER 31 HG SER 31 -1.104 4.947 6.826 220 H SER 32 H SER 32 0.115 7.729 3.025 221 HA SER 32 HA SER 32 -1.639 9.634 1.873 222 1HB SER 32 2HB SER 32 -1.348 10.266 4.507 223 2HB SER 32 1HB SER 32 0.014 11.145 3.823 224 HG SER 32 HG SER 32 -1.376 12.537 3.111 Start of MODEL 6 1 1H LEU 1 1HT LEU 1 -15.136 -6.236 -1.856 2 2H LEU 1 2HT LEU 1 -14.345 -7.693 -2.231 3 3H LEU 1 3HT LEU 1 -15.356 -6.951 -3.377 4 HA LEU 1 HA LEU 1 -13.240 -6.400 -4.113 5 1HB LEU 1 2HB LEU 1 -14.274 -4.186 -2.317 6 2HB LEU 1 1HB LEU 1 -13.009 -3.965 -3.526 7 HG LEU 1 HG LEU 1 -14.859 -5.164 -5.069 8 1HD1 LEU 1 1HD1 LEU 1 -16.499 -3.510 -3.135 9 2HD1 LEU 1 2HD1 LEU 1 -16.415 -5.270 -3.066 10 3HD1 LEU 1 3HD1 LEU 1 -17.089 -4.474 -4.488 11 1HD2 LEU 1 1HD2 LEU 1 -14.538 -2.258 -4.309 12 2HD2 LEU 1 2HD2 LEU 1 -15.650 -2.755 -5.584 13 3HD2 LEU 1 3HD2 LEU 1 -13.925 -3.090 -5.738 14 H LEU 2 H LEU 2 -11.291 -7.213 -3.518 15 HA LEU 2 HA LEU 2 -10.414 -7.143 -0.715 16 1HB LEU 2 2HB LEU 2 -9.488 -8.428 -3.239 17 2HB LEU 2 1HB LEU 2 -8.263 -8.106 -2.012 18 HG LEU 2 HG LEU 2 -9.880 -9.205 -0.344 19 1HD1 LEU 2 1HD1 LEU 2 -11.917 -9.234 -1.584 20 2HD1 LEU 2 2HD1 LEU 2 -11.379 -10.913 -1.530 21 3HD1 LEU 2 3HD1 LEU 2 -11.135 -9.955 -2.991 22 1HD2 LEU 2 1HD2 LEU 2 -8.748 -10.923 -2.576 23 2HD2 LEU 2 2HD2 LEU 2 -9.083 -11.445 -0.926 24 3HD2 LEU 2 3HD2 LEU 2 -7.805 -10.269 -1.237 25 H ALA 3 H ALA 3 -9.879 -5.055 -0.126 26 HA ALA 3 HA ALA 3 -8.025 -3.538 -1.902 27 1HB ALA 3 1HB ALA 3 -10.261 -2.577 -0.930 28 2HB ALA 3 2HB ALA 3 -8.816 -1.567 -0.913 29 3HB ALA 3 3HB ALA 3 -9.329 -2.396 0.557 30 H CYS 4 H CYS 4 -6.955 -5.718 -0.451 31 HA CYS 4 HA CYS 4 -4.740 -4.497 0.849 32 1HB CYS 4 2HB CYS 4 -6.398 -4.044 2.640 33 2HB CYS 4 1HB CYS 4 -6.756 -5.765 2.731 34 H LEU 5 H LEU 5 -3.554 -5.971 -0.356 35 HA LEU 5 HA LEU 5 -3.862 -8.843 0.431 36 1HB LEU 5 2HB LEU 5 -3.001 -9.400 -1.857 37 2HB LEU 5 1HB LEU 5 -4.566 -8.588 -1.884 38 HG LEU 5 HG LEU 5 -2.175 -6.824 -1.965 39 1HD1 LEU 5 1HD1 LEU 5 -3.055 -8.164 -4.512 40 2HD1 LEU 5 2HD1 LEU 5 -1.800 -8.897 -3.514 41 3HD1 LEU 5 3HD1 LEU 5 -1.565 -7.282 -4.183 42 1HD2 LEU 5 1HD2 LEU 5 -4.608 -6.100 -2.076 43 2HD2 LEU 5 2HD2 LEU 5 -4.691 -6.882 -3.655 44 3HD2 LEU 5 3HD2 LEU 5 -3.602 -5.518 -3.401 45 H PHE 6 H PHE 6 -2.129 -6.672 1.546 46 HA PHE 6 HA PHE 6 0.501 -7.999 1.037 47 1HB PHE 6 2HB PHE 6 -0.238 -5.236 0.638 48 2HB PHE 6 1HB PHE 6 0.972 -5.331 1.915 49 HD1 PHE 6 1HD PHE 6 0.294 -5.799 -1.647 50 HD2 PHE 6 2HD PHE 6 3.185 -6.378 1.478 51 HE1 PHE 6 1HE PHE 6 2.062 -6.165 -3.348 52 HE2 PHE 6 2HE PHE 6 4.951 -6.743 -0.224 53 HZ PHE 6 HZ PHE 6 4.390 -6.636 -2.637 54 H GLY 7 H GLY 7 -0.527 -5.458 3.319 55 1HA GLY 7 2HA GLY 7 -0.834 -5.625 5.673 56 2HA GLY 7 1HA GLY 7 -0.417 -7.336 5.580 57 H ASN 8 H ASN 8 1.587 -4.868 4.102 58 HA ASN 8 HA ASN 8 3.517 -4.998 6.355 59 1HB ASN 8 2HB ASN 8 3.850 -6.713 4.280 60 2HB ASN 8 1HB ASN 8 4.703 -5.304 3.649 61 1HD2 ASN 8 1HD2 ASN 8 5.187 -8.066 5.476 62 2HD2 ASN 8 2HD2 ASN 8 6.544 -7.567 6.367 63 H GLY 9 H GLY 9 5.612 -3.628 5.201 64 1HA GLY 9 2HA GLY 9 4.325 -1.063 4.353 65 2HA GLY 9 1HA GLY 9 5.742 -1.127 5.399 66 H ARG 10 H ARG 10 5.532 -3.374 2.744 67 HA ARG 10 HA ARG 10 7.545 -1.740 1.246 68 1HB ARG 10 2HB ARG 10 7.386 -4.769 1.340 69 2HB ARG 10 1HB ARG 10 8.656 -3.794 0.601 70 1HG ARG 10 2HG ARG 10 9.034 -2.796 2.935 71 2HG ARG 10 1HG ARG 10 8.031 -4.116 3.539 72 1HD ARG 10 2HD ARG 10 9.582 -5.708 2.301 73 2HD ARG 10 1HD ARG 10 10.652 -4.330 2.043 74 HE ARG 10 HE ARG 10 10.267 -5.753 4.556 75 1HH1 ARG 10 1HH2 ARG 10 11.126 -2.694 3.095 76 2HH1 ARG 10 2HH2 ARG 10 12.035 -2.178 4.472 77 1HH2 ARG 10 1HH1 ARG 10 11.454 -5.046 6.315 78 2HH2 ARG 10 2HH1 ARG 10 12.220 -3.492 6.277 79 H CYS 11 H CYS 11 6.962 -1.292 -0.848 80 HA CYS 11 HA CYS 11 5.100 -3.109 -2.262 81 1HB CYS 11 2HB CYS 11 3.677 -1.110 -2.926 82 2HB CYS 11 1HB CYS 11 3.501 -1.637 -1.258 83 H SER 12 H SER 12 4.582 -1.975 -4.485 84 HA SER 12 HA SER 12 7.044 -0.676 -5.556 85 1HB SER 12 2HB SER 12 7.157 -3.058 -6.141 86 2HB SER 12 1HB SER 12 5.531 -2.983 -6.813 87 HG SER 12 HG SER 12 7.939 -2.111 -7.841 88 H SER 13 H SER 13 3.917 -0.167 -4.957 89 HA SER 13 HA SER 13 3.582 1.958 -6.799 90 1HB SER 13 2HB SER 13 3.276 0.422 -8.578 91 2HB SER 13 1HB SER 13 2.349 -0.688 -7.574 92 HG SER 13 HG SER 13 0.637 0.368 -8.158 93 H ASN 14 H ASN 14 1.268 2.807 -6.653 94 HA ASN 14 HA ASN 14 0.406 2.901 -3.951 95 1HB ASN 14 2HB ASN 14 -1.122 3.542 -6.482 96 2HB ASN 14 1HB ASN 14 -1.639 3.994 -4.860 97 1HD2 ASN 14 1HD2 ASN 14 -1.002 5.927 -6.944 98 2HD2 ASN 14 2HD2 ASN 14 0.354 6.806 -6.422 99 H ARG 15 H ARG 15 -0.818 0.966 -6.682 100 HA ARG 15 HA ARG 15 -2.981 -0.195 -5.168 101 1HB ARG 15 2HB ARG 15 -1.953 -0.342 -7.862 102 2HB ARG 15 1HB ARG 15 -2.347 -1.955 -7.269 103 1HG ARG 15 2HG ARG 15 -4.560 -0.825 -6.442 104 2HG ARG 15 1HG ARG 15 -4.153 0.423 -7.620 105 1HD ARG 15 2HD ARG 15 -5.522 -1.142 -8.792 106 2HD ARG 15 1HD ARG 15 -3.870 -1.467 -9.318 107 HE ARG 15 HE ARG 15 -4.018 -3.576 -8.288 108 1HH1 ARG 15 1HH2 ARG 15 -6.513 -1.462 -7.045 109 2HH1 ARG 15 2HH2 ARG 15 -7.266 -2.722 -6.133 110 1HH2 ARG 15 1HH1 ARG 15 -5.026 -5.176 -7.093 111 2HH2 ARG 15 2HH1 ARG 15 -6.436 -4.803 -6.159 112 H ASP 16 H ASP 16 0.350 -0.762 -5.058 113 HA ASP 16 HA ASP 16 0.175 -3.611 -4.407 114 1HB ASP 16 2HB ASP 16 2.275 -1.611 -4.851 115 2HB ASP 16 1HB ASP 16 2.646 -2.708 -3.523 116 H CYS 17 H CYS 17 -0.721 -0.880 -2.722 117 HA CYS 17 HA CYS 17 0.216 -1.939 -0.103 118 1HB CYS 17 2HB CYS 17 -0.943 0.738 -0.911 119 2HB CYS 17 1HB CYS 17 -0.578 0.287 0.754 120 H CYS 18 H CYS 18 -1.642 -1.151 1.646 121 HA CYS 18 HA CYS 18 -4.025 -2.715 0.853 122 1HB CYS 18 2HB CYS 18 -2.657 -2.044 3.422 123 2HB CYS 18 1HB CYS 18 -4.361 -2.434 3.455 124 H GLU 19 H GLU 19 -5.993 -1.823 2.391 125 HA GLU 19 HA GLU 19 -6.844 0.621 1.195 126 1HB GLU 19 2HB GLU 19 -8.102 -1.378 2.512 127 2HB GLU 19 1HB GLU 19 -8.056 -0.163 3.786 128 1HG GLU 19 2HG GLU 19 -9.009 0.474 0.988 129 2HG GLU 19 1HG GLU 19 -10.102 -0.099 2.248 130 H LEU 20 H LEU 20 -5.723 -0.088 4.484 131 HA LEU 20 HA LEU 20 -5.906 2.541 5.530 132 1HB LEU 20 2HB LEU 20 -4.170 1.792 7.169 133 2HB LEU 20 1HB LEU 20 -5.505 0.653 7.001 134 HG LEU 20 HG LEU 20 -3.337 0.149 5.081 135 1HD1 LEU 20 1HD1 LEU 20 -2.111 1.043 7.144 136 2HD1 LEU 20 2HD1 LEU 20 -1.654 -0.573 6.607 137 3HD1 LEU 20 3HD1 LEU 20 -2.723 -0.375 7.996 138 1HD2 LEU 20 1HD2 LEU 20 -5.139 -1.328 6.938 139 2HD2 LEU 20 2HD2 LEU 20 -3.620 -2.118 6.517 140 3HD2 LEU 20 3HD2 LEU 20 -4.754 -1.654 5.249 141 H THR 21 H THR 21 -3.657 1.211 3.262 142 HA THR 21 HA THR 21 -2.116 3.767 3.351 143 HB THR 21 HB THR 21 -0.157 2.295 2.530 144 HG1 THR 21 1HG THR 21 -0.333 0.166 2.882 145 1HG2 THR 21 1HG2 THR 21 -1.289 2.469 5.288 146 2HG2 THR 21 2HG2 THR 21 0.214 3.133 4.649 147 3HG2 THR 21 3HG2 THR 21 0.101 1.416 5.030 148 HA PRO 22 HA PRO 22 -3.630 3.161 -0.928 149 1HB PRO 22 2HB PRO 22 -4.491 5.725 -1.279 150 2HB PRO 22 1HB PRO 22 -5.459 4.473 -0.488 151 1HG PRO 22 2HG PRO 22 -4.171 6.829 0.678 152 2HG PRO 22 1HG PRO 22 -5.444 5.797 1.347 153 1HD PRO 22 2HD PRO 22 -2.608 5.765 1.946 154 2HD PRO 22 1HD PRO 22 -3.903 4.805 2.695 155 H VAL 23 H VAL 23 -0.923 4.511 0.312 156 HA VAL 23 HA VAL 23 -0.080 5.558 -2.362 157 HB VAL 23 HB VAL 23 0.814 6.640 0.326 158 1HG1 VAL 23 1HG1 VAL 23 2.569 7.090 -1.152 159 2HG1 VAL 23 2HG1 VAL 23 1.565 8.527 -1.348 160 3HG1 VAL 23 3HG1 VAL 23 1.492 7.231 -2.542 161 1HG2 VAL 23 1HG2 VAL 23 -1.343 7.435 -1.582 162 2HG2 VAL 23 2HG2 VAL 23 -0.439 8.710 -0.765 163 3HG2 VAL 23 3HG2 VAL 23 -1.322 7.510 0.180 164 H CYS 24 H CYS 24 2.114 5.222 -2.876 165 HA CYS 24 HA CYS 24 3.641 3.383 -1.111 166 1HB CYS 24 2HB CYS 24 2.451 1.974 -2.741 167 2HB CYS 24 1HB CYS 24 3.082 2.952 -4.061 168 H LYS 25 H LYS 25 5.021 5.161 -0.679 169 HA LYS 25 HA LYS 25 6.516 6.206 -3.056 170 1HB LYS 25 2HB LYS 25 5.335 7.932 -1.743 171 2HB LYS 25 1HB LYS 25 6.264 7.475 -0.322 172 1HG LYS 25 2HG LYS 25 7.419 9.340 -1.237 173 2HG LYS 25 1HG LYS 25 8.349 7.933 -1.756 174 1HD LYS 25 2HD LYS 25 8.124 9.207 -3.730 175 2HD LYS 25 1HD LYS 25 6.856 7.990 -3.876 176 1HE LYS 25 2HE LYS 25 5.713 9.973 -4.389 177 2HE LYS 25 1HE LYS 25 5.357 9.759 -2.675 178 1HZ LYS 25 1HZ LYS 25 7.322 11.198 -2.222 179 2HZ LYS 25 2HZ LYS 25 6.032 11.992 -2.991 180 3HZ LYS 25 3HZ LYS 25 7.404 11.533 -3.882 181 H ARG 26 H ARG 26 8.705 6.172 -3.035 182 HA ARG 26 HA ARG 26 10.844 5.324 -2.542 183 1HB ARG 26 2HB ARG 26 10.223 6.794 -0.442 184 2HB ARG 26 1HB ARG 26 10.101 5.230 0.364 185 1HG ARG 26 2HG ARG 26 12.386 4.668 -0.322 186 2HG ARG 26 1HG ARG 26 12.514 6.196 -1.195 187 1HD ARG 26 2HD ARG 26 11.920 6.043 1.769 188 2HD ARG 26 1HD ARG 26 13.555 6.191 1.124 189 HE ARG 26 HE ARG 26 11.604 8.320 1.296 190 1HH1 ARG 26 1HH2 ARG 26 14.241 7.070 -0.632 191 2HH1 ARG 26 2HH2 ARG 26 14.636 8.624 -1.279 192 1HH2 ARG 26 1HH1 ARG 26 12.150 10.311 0.434 193 2HH2 ARG 26 2HH1 ARG 26 13.466 10.440 -0.684 194 H GLY 27 H GLY 27 8.510 3.486 -2.929 195 1HA GLY 27 2HA GLY 27 8.145 1.169 -2.893 196 2HA GLY 27 1HA GLY 27 9.816 0.999 -2.348 197 H SER 28 H SER 28 7.392 2.904 -0.643 198 HA SER 28 HA SER 28 7.147 0.797 1.426 199 1HB SER 28 2HB SER 28 7.954 3.668 1.982 200 2HB SER 28 1HB SER 28 7.603 2.450 3.205 201 HG SER 28 HG SER 28 9.709 2.520 1.312 202 H CYS 29 H CYS 29 5.067 0.608 1.978 203 HA CYS 29 HA CYS 29 3.009 2.252 0.869 204 1HB CYS 29 2HB CYS 29 3.011 0.204 3.098 205 2HB CYS 29 1HB CYS 29 1.541 1.013 2.556 206 H VAL 30 H VAL 30 1.766 3.875 1.785 207 HA VAL 30 HA VAL 30 2.234 4.699 4.572 208 HB VAL 30 HB VAL 30 2.731 7.055 3.885 209 1HG1 VAL 30 1HG1 VAL 30 4.743 5.106 2.740 210 2HG1 VAL 30 2HG1 VAL 30 4.499 5.324 4.472 211 3HG1 VAL 30 3HG1 VAL 30 5.063 6.673 3.485 212 1HG2 VAL 30 1HG2 VAL 30 2.085 7.410 1.704 213 2HG2 VAL 30 2HG2 VAL 30 2.501 5.773 1.202 214 3HG2 VAL 30 3HG2 VAL 30 3.768 6.981 1.404 215 H SER 31 H SER 31 0.621 6.285 5.271 216 HA SER 31 HA SER 31 -1.914 5.961 3.781 217 1HB SER 31 2HB SER 31 -1.366 7.126 6.525 218 2HB SER 31 1HB SER 31 -2.961 6.841 5.837 219 HG SER 31 HG SER 31 -2.374 4.613 5.694 220 H SER 32 H SER 32 -0.195 7.629 2.424 221 HA SER 32 HA SER 32 -0.085 9.757 1.444 222 1HB SER 32 2HB SER 32 -2.685 9.267 1.625 223 2HB SER 32 1HB SER 32 -2.622 10.555 2.825 224 HG SER 32 HG SER 32 -2.974 11.454 0.802 Start of MODEL 7 1 1H LEU 1 1HT LEU 1 -14.578 -6.861 -1.488 2 2H LEU 1 2HT LEU 1 -15.932 -7.294 -0.558 3 3H LEU 1 3HT LEU 1 -14.573 -8.312 -0.611 4 HA LEU 1 HA LEU 1 -14.455 -5.547 0.442 5 1HB LEU 1 2HB LEU 1 -14.538 -6.629 2.697 6 2HB LEU 1 1HB LEU 1 -16.056 -6.769 1.811 7 HG LEU 1 HG LEU 1 -14.131 -8.967 1.330 8 1HD1 LEU 1 1HD1 LEU 1 -13.654 -8.863 3.641 9 2HD1 LEU 1 2HD1 LEU 1 -14.955 -10.048 3.535 10 3HD1 LEU 1 3HD1 LEU 1 -15.305 -8.398 4.052 11 1HD2 LEU 1 1HD2 LEU 1 -16.737 -8.551 0.763 12 2HD2 LEU 1 2HD2 LEU 1 -16.915 -9.374 2.313 13 3HD2 LEU 1 3HD2 LEU 1 -16.065 -10.166 0.988 14 H LEU 2 H LEU 2 -12.594 -6.836 -1.311 15 HA LEU 2 HA LEU 2 -10.398 -7.626 0.551 16 1HB LEU 2 2HB LEU 2 -11.219 -8.508 -2.115 17 2HB LEU 2 1HB LEU 2 -9.513 -8.075 -2.063 18 HG LEU 2 HG LEU 2 -9.844 -10.458 -1.515 19 1HD1 LEU 2 1HD1 LEU 2 -8.627 -8.494 0.308 20 2HD1 LEU 2 2HD1 LEU 2 -7.953 -9.979 -0.361 21 3HD1 LEU 2 3HD1 LEU 2 -8.978 -10.044 1.072 22 1HD2 LEU 2 1HD2 LEU 2 -11.303 -9.533 0.971 23 2HD2 LEU 2 2HD2 LEU 2 -11.129 -11.179 0.363 24 3HD2 LEU 2 3HD2 LEU 2 -12.155 -10.028 -0.492 25 H ALA 3 H ALA 3 -9.743 -5.517 1.153 26 HA ALA 3 HA ALA 3 -8.525 -3.915 -1.063 27 1HB ALA 3 1HB ALA 3 -9.153 -1.889 0.037 28 2HB ALA 3 2HB ALA 3 -9.616 -2.748 1.507 29 3HB ALA 3 3HB ALA 3 -10.598 -2.902 0.050 30 H CYS 4 H CYS 4 -7.076 -5.904 0.220 31 HA CYS 4 HA CYS 4 -4.790 -4.507 1.160 32 1HB CYS 4 2HB CYS 4 -6.177 -4.137 3.184 33 2HB CYS 4 1HB CYS 4 -6.412 -5.875 3.334 34 H LEU 5 H LEU 5 -3.669 -5.912 -0.176 35 HA LEU 5 HA LEU 5 -3.776 -8.813 0.558 36 1HB LEU 5 2HB LEU 5 -2.999 -9.232 -1.792 37 2HB LEU 5 1HB LEU 5 -4.600 -8.499 -1.700 38 HG LEU 5 HG LEU 5 -2.334 -6.589 -1.808 39 1HD1 LEU 5 1HD1 LEU 5 -3.171 -7.895 -4.384 40 2HD1 LEU 5 2HD1 LEU 5 -1.858 -8.590 -3.432 41 3HD1 LEU 5 3HD1 LEU 5 -1.729 -6.940 -4.041 42 1HD2 LEU 5 1HD2 LEU 5 -4.345 -5.481 -2.001 43 2HD2 LEU 5 2HD2 LEU 5 -5.149 -6.857 -2.758 44 3HD2 LEU 5 3HD2 LEU 5 -4.079 -5.827 -3.710 45 H PHE 6 H PHE 6 -2.028 -6.584 1.636 46 HA PHE 6 HA PHE 6 0.602 -7.799 0.890 47 1HB PHE 6 2HB PHE 6 -0.265 -4.986 1.094 48 2HB PHE 6 1HB PHE 6 1.243 -5.334 1.934 49 HD1 PHE 6 1HD PHE 6 3.216 -5.200 0.710 50 HD2 PHE 6 2HD PHE 6 -0.445 -6.161 -1.319 51 HE1 PHE 6 1HE PHE 6 4.424 -5.228 -1.456 52 HE2 PHE 6 2HE PHE 6 0.763 -6.187 -3.485 53 HZ PHE 6 HZ PHE 6 3.198 -5.722 -3.552 54 H GLY 7 H GLY 7 -0.345 -5.558 3.498 55 1HA GLY 7 2HA GLY 7 -0.597 -6.126 5.828 56 2HA GLY 7 1HA GLY 7 0.147 -7.690 5.497 57 H ASN 8 H ASN 8 2.282 -6.207 3.866 58 HA ASN 8 HA ASN 8 3.994 -5.544 6.204 59 1HB ASN 8 2HB ASN 8 4.528 -7.183 4.134 60 2HB ASN 8 1HB ASN 8 5.115 -5.670 3.446 61 1HD2 ASN 8 1HD2 ASN 8 7.249 -5.190 3.970 62 2HD2 ASN 8 2HD2 ASN 8 8.073 -5.767 5.336 63 H GLY 9 H GLY 9 5.819 -3.834 5.288 64 1HA GLY 9 2HA GLY 9 4.214 -1.461 4.431 65 2HA GLY 9 1HA GLY 9 5.657 -1.371 5.440 66 H ARG 10 H ARG 10 5.629 -3.549 2.712 67 HA ARG 10 HA ARG 10 7.442 -1.668 1.250 68 1HB ARG 10 2HB ARG 10 7.508 -4.701 1.222 69 2HB ARG 10 1HB ARG 10 8.652 -3.622 0.425 70 1HG ARG 10 2HG ARG 10 8.309 -3.094 3.310 71 2HG ARG 10 1HG ARG 10 8.994 -4.676 2.943 72 1HD ARG 10 2HD ARG 10 10.408 -3.096 1.220 73 2HD ARG 10 1HD ARG 10 10.161 -1.986 2.569 74 HE ARG 10 HE ARG 10 11.614 -3.313 3.864 75 1HH1 ARG 10 1HH2 ARG 10 10.575 -5.076 1.028 76 2HH1 ARG 10 2HH2 ARG 10 11.668 -6.384 1.319 77 1HH2 ARG 10 1HH1 ARG 10 13.010 -5.028 4.202 78 2HH2 ARG 10 2HH1 ARG 10 13.032 -6.359 3.095 79 H CYS 11 H CYS 11 6.929 -1.286 -0.898 80 HA CYS 11 HA CYS 11 5.030 -3.088 -2.278 81 1HB CYS 11 2HB CYS 11 3.636 -1.073 -2.958 82 2HB CYS 11 1HB CYS 11 3.453 -1.587 -1.289 83 H SER 12 H SER 12 4.519 -1.982 -4.513 84 HA SER 12 HA SER 12 7.005 -0.750 -5.611 85 1HB SER 12 2HB SER 12 5.386 -2.846 -7.069 86 2HB SER 12 1HB SER 12 6.963 -2.199 -7.515 87 HG SER 12 HG SER 12 7.723 -3.110 -5.494 88 H SER 13 H SER 13 3.880 -0.160 -4.989 89 HA SER 13 HA SER 13 3.604 2.002 -6.794 90 1HB SER 13 2HB SER 13 3.280 0.509 -8.607 91 2HB SER 13 1HB SER 13 2.317 -0.598 -7.634 92 HG SER 13 HG SER 13 1.599 1.710 -8.960 93 H ASN 14 H ASN 14 1.294 2.884 -6.663 94 HA ASN 14 HA ASN 14 0.415 2.966 -3.965 95 1HB ASN 14 2HB ASN 14 -0.757 3.825 -6.585 96 2HB ASN 14 1HB ASN 14 -1.769 3.866 -5.142 97 1HD2 ASN 14 1HD2 ASN 14 -1.767 6.241 -5.136 98 2HD2 ASN 14 2HD2 ASN 14 -0.387 7.113 -4.672 99 H ARG 15 H ARG 15 -0.828 1.081 -6.726 100 HA ARG 15 HA ARG 15 -3.013 -0.068 -5.233 101 1HB ARG 15 2HB ARG 15 -1.986 -0.183 -7.924 102 2HB ARG 15 1HB ARG 15 -2.378 -1.805 -7.361 103 1HG ARG 15 2HG ARG 15 -4.255 0.571 -7.194 104 2HG ARG 15 1HG ARG 15 -4.317 -0.666 -8.449 105 1HD ARG 15 2HD ARG 15 -4.299 -2.221 -6.207 106 2HD ARG 15 1HD ARG 15 -5.170 -0.805 -5.619 107 HE ARG 15 HE ARG 15 -6.353 -1.393 -8.071 108 1HH1 ARG 15 1HH2 ARG 15 -5.789 -3.112 -5.079 109 2HH1 ARG 15 2HH2 ARG 15 -7.194 -4.102 -5.265 110 1HH2 ARG 15 1HH1 ARG 15 -8.161 -2.695 -8.273 111 2HH2 ARG 15 2HH1 ARG 15 -8.524 -3.870 -7.054 112 H ASP 16 H ASP 16 0.305 -0.677 -5.096 113 HA ASP 16 HA ASP 16 0.084 -3.536 -4.484 114 1HB ASP 16 2HB ASP 16 2.211 -1.581 -4.942 115 2HB ASP 16 1HB ASP 16 2.572 -2.653 -3.591 116 H CYS 17 H CYS 17 -0.788 -0.822 -2.778 117 HA CYS 17 HA CYS 17 0.151 -1.906 -0.168 118 1HB CYS 17 2HB CYS 17 -0.972 0.793 -0.956 119 2HB CYS 17 1HB CYS 17 -0.594 0.330 0.703 120 H CYS 18 H CYS 18 -1.645 -1.186 1.616 121 HA CYS 18 HA CYS 18 -4.049 -2.715 0.864 122 1HB CYS 18 2HB CYS 18 -2.777 -1.840 3.446 123 2HB CYS 18 1HB CYS 18 -4.418 -2.448 3.409 124 H GLU 19 H GLU 19 -6.046 -1.777 2.293 125 HA GLU 19 HA GLU 19 -6.861 0.642 1.022 126 1HB GLU 19 2HB GLU 19 -8.156 -1.337 2.342 127 2HB GLU 19 1HB GLU 19 -8.159 -0.090 3.584 128 1HG GLU 19 2HG GLU 19 -8.945 1.476 1.629 129 2HG GLU 19 1HG GLU 19 -9.412 -0.039 0.854 130 H LEU 20 H LEU 20 -5.835 -0.008 4.352 131 HA LEU 20 HA LEU 20 -6.056 2.639 5.346 132 1HB LEU 20 2HB LEU 20 -4.402 1.924 7.066 133 2HB LEU 20 1HB LEU 20 -5.703 0.753 6.849 134 HG LEU 20 HG LEU 20 -3.418 0.301 5.048 135 1HD1 LEU 20 1HD1 LEU 20 -2.380 1.192 7.233 136 2HD1 LEU 20 2HD1 LEU 20 -1.812 -0.374 6.654 137 3HD1 LEU 20 3HD1 LEU 20 -2.977 -0.292 7.975 138 1HD2 LEU 20 1HD2 LEU 20 -5.544 -1.147 5.959 139 2HD2 LEU 20 2HD2 LEU 20 -4.276 -1.724 7.038 140 3HD2 LEU 20 3HD2 LEU 20 -4.083 -1.873 5.292 141 H THR 21 H THR 21 -3.738 1.272 3.174 142 HA THR 21 HA THR 21 -2.184 3.821 3.290 143 HB THR 21 HB THR 21 -0.204 2.366 2.554 144 HG1 THR 21 1HG THR 21 -1.912 0.357 3.597 145 1HG2 THR 21 1HG2 THR 21 0.110 1.489 4.955 146 2HG2 THR 21 2HG2 THR 21 -1.469 2.200 5.287 147 3HG2 THR 21 3HG2 THR 21 -0.136 3.225 4.758 148 HA PRO 22 HA PRO 22 -3.583 3.229 -1.030 149 1HB PRO 22 2HB PRO 22 -4.450 5.790 -1.387 150 2HB PRO 22 1HB PRO 22 -5.431 4.528 -0.626 151 1HG PRO 22 2HG PRO 22 -4.196 6.887 0.583 152 2HG PRO 22 1HG PRO 22 -5.463 5.831 1.222 153 1HD PRO 22 2HD PRO 22 -2.628 5.833 1.855 154 2HD PRO 22 1HD PRO 22 -3.926 4.873 2.600 155 H VAL 23 H VAL 23 -0.921 4.583 0.294 156 HA VAL 23 HA VAL 23 -0.016 5.694 -2.335 157 HB VAL 23 HB VAL 23 0.864 6.659 0.401 158 1HG1 VAL 23 1HG1 VAL 23 2.620 7.199 -1.022 159 2HG1 VAL 23 2HG1 VAL 23 1.591 8.615 -1.234 160 3HG1 VAL 23 3HG1 VAL 23 1.572 7.324 -2.435 161 1HG2 VAL 23 1HG2 VAL 23 -0.384 8.778 -0.592 162 2HG2 VAL 23 2HG2 VAL 23 -1.276 7.536 0.288 163 3HG2 VAL 23 3HG2 VAL 23 -1.289 7.548 -1.476 164 H CYS 24 H CYS 24 2.140 5.280 -2.876 165 HA CYS 24 HA CYS 24 3.637 3.402 -1.122 166 1HB CYS 24 2HB CYS 24 2.428 2.032 -2.764 167 2HB CYS 24 1HB CYS 24 3.063 3.016 -4.076 168 H LYS 25 H LYS 25 5.030 5.173 -0.665 169 HA LYS 25 HA LYS 25 6.596 6.169 -3.019 170 1HB LYS 25 2HB LYS 25 5.411 7.934 -1.759 171 2HB LYS 25 1HB LYS 25 6.299 7.483 -0.310 172 1HG LYS 25 2HG LYS 25 8.253 8.422 -1.062 173 2HG LYS 25 1HG LYS 25 7.916 8.022 -2.746 174 1HD LYS 25 2HD LYS 25 7.788 10.432 -2.500 175 2HD LYS 25 1HD LYS 25 6.156 9.814 -2.755 176 1HE LYS 25 2HE LYS 25 5.552 10.875 -0.861 177 2HE LYS 25 1HE LYS 25 6.536 9.714 0.030 178 1HZ LYS 25 1HZ LYS 25 7.388 12.347 -1.037 179 2HZ LYS 25 2HZ LYS 25 8.465 11.196 -0.403 180 3HZ LYS 25 3HZ LYS 25 7.272 11.887 0.591 181 H ARG 26 H ARG 26 8.783 6.106 -2.936 182 HA ARG 26 HA ARG 26 10.890 5.226 -2.377 183 1HB ARG 26 2HB ARG 26 10.254 6.740 -0.320 184 2HB ARG 26 1HB ARG 26 10.064 5.196 0.509 185 1HG ARG 26 2HG ARG 26 12.330 4.579 0.090 186 2HG ARG 26 1HG ARG 26 12.542 5.887 -1.075 187 1HD ARG 26 2HD ARG 26 12.078 7.503 0.838 188 2HD ARG 26 1HD ARG 26 12.220 6.120 1.924 189 HE ARG 26 HE ARG 26 14.537 6.005 0.418 190 1HH1 ARG 26 1HH2 ARG 26 12.990 8.471 2.355 191 2HH1 ARG 26 2HH2 ARG 26 14.490 9.222 2.775 192 1HH2 ARG 26 1HH1 ARG 26 16.453 7.007 0.986 193 2HH2 ARG 26 2HH1 ARG 26 16.430 8.404 2.010 194 H GLY 27 H GLY 27 8.533 3.420 -2.792 195 1HA GLY 27 2HA GLY 27 8.137 1.109 -2.737 196 2HA GLY 27 1HA GLY 27 9.789 0.923 -2.145 197 H SER 28 H SER 28 7.345 2.882 -0.533 198 HA SER 28 HA SER 28 7.016 0.807 1.556 199 1HB SER 28 2HB SER 28 8.031 3.625 1.977 200 2HB SER 28 1HB SER 28 7.327 2.669 3.278 201 HG SER 28 HG SER 28 9.036 1.405 3.283 202 H CYS 29 H CYS 29 4.927 0.664 2.091 203 HA CYS 29 HA CYS 29 2.928 2.352 0.905 204 1HB CYS 29 2HB CYS 29 2.786 0.272 3.104 205 2HB CYS 29 1HB CYS 29 1.366 1.078 2.438 206 H VAL 30 H VAL 30 1.692 3.980 1.811 207 HA VAL 30 HA VAL 30 2.036 4.701 4.644 208 HB VAL 30 HB VAL 30 2.606 7.071 4.053 209 1HG1 VAL 30 1HG1 VAL 30 4.278 5.119 4.586 210 2HG1 VAL 30 2HG1 VAL 30 4.905 6.655 3.988 211 3HG1 VAL 30 3HG1 VAL 30 4.728 5.287 2.889 212 1HG2 VAL 30 1HG2 VAL 30 2.031 7.426 1.830 213 2HG2 VAL 30 2HG2 VAL 30 2.613 5.843 1.316 214 3HG2 VAL 30 3HG2 VAL 30 3.762 7.133 1.666 215 H SER 31 H SER 31 0.482 6.448 5.251 216 HA SER 31 HA SER 31 -2.024 6.138 3.707 217 1HB SER 31 2HB SER 31 -2.807 7.575 5.819 218 2HB SER 31 1HB SER 31 -2.568 5.833 5.929 219 HG SER 31 HG SER 31 -0.644 6.153 6.904 220 H SER 32 H SER 32 -0.196 7.679 2.328 221 HA SER 32 HA SER 32 0.015 9.748 1.249 222 1HB SER 32 2HB SER 32 -2.499 9.441 1.108 223 2HB SER 32 1HB SER 32 -2.630 10.427 2.561 224 HG SER 32 HG SER 32 -2.550 12.041 1.220 Start of MODEL 8 1 1H LEU 1 1HT LEU 1 -16.091 -7.336 0.272 2 2H LEU 1 2HT LEU 1 -15.464 -8.817 -0.274 3 3H LEU 1 3HT LEU 1 -15.206 -7.399 -1.173 4 HA LEU 1 HA LEU 1 -14.068 -6.550 0.974 5 1HB LEU 1 2HB LEU 1 -13.953 -9.570 1.239 6 2HB LEU 1 1HB LEU 1 -12.950 -8.447 2.158 7 HG LEU 1 HG LEU 1 -15.350 -7.357 2.670 8 1HD1 LEU 1 1HD1 LEU 1 -16.795 -8.806 1.523 9 2HD1 LEU 1 2HD1 LEU 1 -16.829 -9.457 3.162 10 3HD1 LEU 1 3HD1 LEU 1 -15.839 -10.232 1.925 11 1HD2 LEU 1 1HD2 LEU 1 -14.731 -9.816 4.250 12 2HD2 LEU 1 2HD2 LEU 1 -15.046 -8.173 4.809 13 3HD2 LEU 1 3HD2 LEU 1 -13.470 -8.588 4.135 14 H LEU 2 H LEU 2 -12.395 -5.725 -0.168 15 HA LEU 2 HA LEU 2 -10.265 -7.346 -1.191 16 1HB LEU 2 2HB LEU 2 -12.312 -7.517 -2.906 17 2HB LEU 2 1HB LEU 2 -11.638 -5.987 -3.469 18 HG LEU 2 HG LEU 2 -9.352 -7.304 -3.356 19 1HD1 LEU 2 1HD1 LEU 2 -10.018 -9.723 -4.209 20 2HD1 LEU 2 2HD1 LEU 2 -11.472 -9.421 -3.256 21 3HD1 LEU 2 3HD1 LEU 2 -9.888 -9.388 -2.483 22 1HD2 LEU 2 1HD2 LEU 2 -10.046 -6.470 -5.451 23 2HD2 LEU 2 2HD2 LEU 2 -11.508 -7.457 -5.460 24 3HD2 LEU 2 3HD2 LEU 2 -9.935 -8.208 -5.727 25 H ALA 3 H ALA 3 -9.203 -5.701 0.103 26 HA ALA 3 HA ALA 3 -8.371 -3.392 -1.468 27 1HB ALA 3 1HB ALA 3 -10.180 -3.063 0.925 28 2HB ALA 3 2HB ALA 3 -10.309 -2.305 -0.663 29 3HB ALA 3 3HB ALA 3 -9.045 -1.795 0.457 30 H CYS 4 H CYS 4 -7.138 -5.702 -0.171 31 HA CYS 4 HA CYS 4 -4.868 -4.448 0.993 32 1HB CYS 4 2HB CYS 4 -6.397 -4.063 2.906 33 2HB CYS 4 1HB CYS 4 -6.719 -5.791 2.988 34 H LEU 5 H LEU 5 -3.729 -5.873 -0.317 35 HA LEU 5 HA LEU 5 -3.920 -8.764 0.438 36 1HB LEU 5 2HB LEU 5 -3.196 -9.257 -1.918 37 2HB LEU 5 1HB LEU 5 -4.791 -8.511 -1.811 38 HG LEU 5 HG LEU 5 -2.487 -6.647 -2.039 39 1HD1 LEU 5 1HD1 LEU 5 -2.744 -7.016 -4.629 40 2HD1 LEU 5 2HD1 LEU 5 -3.265 -8.633 -4.155 41 3HD1 LEU 5 3HD1 LEU 5 -1.660 -8.058 -3.707 42 1HD2 LEU 5 1HD2 LEU 5 -5.128 -6.794 -3.522 43 2HD2 LEU 5 2HD2 LEU 5 -4.073 -5.390 -3.359 44 3HD2 LEU 5 3HD2 LEU 5 -4.938 -6.011 -1.952 45 H PHE 6 H PHE 6 -2.164 -6.599 1.490 46 HA PHE 6 HA PHE 6 0.463 -7.788 0.691 47 1HB PHE 6 2HB PHE 6 -0.420 -5.004 0.785 48 2HB PHE 6 1HB PHE 6 1.010 -5.266 1.780 49 HD1 PHE 6 1HD PHE 6 3.077 -5.063 0.731 50 HD2 PHE 6 2HD PHE 6 -0.323 -6.322 -1.573 51 HE1 PHE 6 1HE PHE 6 4.484 -5.129 -1.311 52 HE2 PHE 6 2HE PHE 6 1.084 -6.387 -3.614 53 HZ PHE 6 HZ PHE 6 3.487 -5.790 -3.483 54 H GLY 7 H GLY 7 -0.451 -5.551 3.315 55 1HA GLY 7 2HA GLY 7 -0.571 -5.989 5.652 56 2HA GLY 7 1HA GLY 7 -0.119 -7.664 5.336 57 H ASN 8 H ASN 8 1.684 -4.940 4.041 58 HA ASN 8 HA ASN 8 3.764 -5.182 6.126 59 1HB ASN 8 2HB ASN 8 4.340 -5.747 3.200 60 2HB ASN 8 1HB ASN 8 5.539 -5.667 4.491 61 1HD2 ASN 8 1HD2 ASN 8 3.616 -7.834 2.762 62 2HD2 ASN 8 2HD2 ASN 8 3.630 -9.124 3.865 63 H GLY 9 H GLY 9 5.671 -3.616 5.416 64 1HA GLY 9 2HA GLY 9 4.358 -1.105 4.484 65 2HA GLY 9 1HA GLY 9 5.790 -1.171 5.508 66 H ARG 10 H ARG 10 5.614 -3.343 2.797 67 HA ARG 10 HA ARG 10 7.523 -1.591 1.299 68 1HB ARG 10 2HB ARG 10 8.572 -3.736 0.495 69 2HB ARG 10 1HB ARG 10 8.766 -3.459 2.225 70 1HG ARG 10 2HG ARG 10 6.864 -4.942 2.696 71 2HG ARG 10 1HG ARG 10 6.620 -5.195 0.968 72 1HD ARG 10 2HD ARG 10 9.367 -5.723 1.933 73 2HD ARG 10 1HD ARG 10 8.135 -6.831 2.537 74 HE ARG 10 HE ARG 10 9.103 -6.684 -0.199 75 1HH1 ARG 10 1HH2 ARG 10 6.346 -7.454 1.811 76 2HH1 ARG 10 2HH2 ARG 10 5.664 -8.526 0.638 77 1HH2 ARG 10 1HH1 ARG 10 8.184 -8.079 -1.688 78 2HH2 ARG 10 2HH1 ARG 10 6.691 -8.878 -1.322 79 H CYS 11 H CYS 11 6.976 -1.239 -0.828 80 HA CYS 11 HA CYS 11 5.128 -3.108 -2.190 81 1HB CYS 11 2HB CYS 11 3.689 -1.128 -2.900 82 2HB CYS 11 1HB CYS 11 3.507 -1.639 -1.229 83 H SER 12 H SER 12 4.593 -2.026 -4.441 84 HA SER 12 HA SER 12 7.050 -0.746 -5.545 85 1HB SER 12 2HB SER 12 7.234 -3.073 -6.154 86 2HB SER 12 1HB SER 12 5.545 -3.128 -6.654 87 HG SER 12 HG SER 12 7.449 -2.730 -8.241 88 H SER 13 H SER 13 3.930 -0.214 -4.933 89 HA SER 13 HA SER 13 3.592 1.885 -6.804 90 1HB SER 13 2HB SER 13 3.264 0.332 -8.561 91 2HB SER 13 1HB SER 13 2.354 -0.771 -7.534 92 HG SER 13 HG SER 13 0.948 0.391 -8.868 93 H ASN 14 H ASN 14 1.293 2.757 -6.647 94 HA ASN 14 HA ASN 14 0.445 2.878 -3.938 95 1HB ASN 14 2HB ASN 14 -0.677 3.756 -6.559 96 2HB ASN 14 1HB ASN 14 -1.774 3.712 -5.180 97 1HD2 ASN 14 1HD2 ASN 14 -1.911 5.978 -4.766 98 2HD2 ASN 14 2HD2 ASN 14 -0.571 6.923 -4.328 99 H ARG 15 H ARG 15 -0.817 0.951 -6.660 100 HA ARG 15 HA ARG 15 -2.988 -0.176 -5.133 101 1HB ARG 15 2HB ARG 15 -1.979 -0.339 -7.829 102 2HB ARG 15 1HB ARG 15 -2.365 -1.951 -7.233 103 1HG ARG 15 2HG ARG 15 -4.474 -1.391 -7.923 104 2HG ARG 15 1HG ARG 15 -4.540 -0.601 -6.348 105 1HD ARG 15 2HD ARG 15 -3.411 0.902 -8.686 106 2HD ARG 15 1HD ARG 15 -5.160 0.754 -8.525 107 HE ARG 15 HE ARG 15 -4.364 1.592 -6.020 108 1HH1 ARG 15 1HH2 ARG 15 -3.816 2.770 -9.267 109 2HH1 ARG 15 2HH2 ARG 15 -3.680 4.415 -8.755 110 1HH2 ARG 15 1HH1 ARG 15 -4.181 3.733 -5.402 111 2HH2 ARG 15 2HH1 ARG 15 -3.882 4.957 -6.591 112 H ASP 16 H ASP 16 0.333 -0.772 -5.011 113 HA ASP 16 HA ASP 16 0.136 -3.621 -4.357 114 1HB ASP 16 2HB ASP 16 2.248 -1.641 -4.810 115 2HB ASP 16 1HB ASP 16 2.611 -2.722 -3.468 116 H CYS 17 H CYS 17 -0.755 -0.888 -2.681 117 HA CYS 17 HA CYS 17 0.167 -1.950 -0.056 118 1HB CYS 17 2HB CYS 17 -0.962 0.741 -0.865 119 2HB CYS 17 1HB CYS 17 -0.582 0.288 0.795 120 H CYS 18 H CYS 18 -1.683 -1.152 1.689 121 HA CYS 18 HA CYS 18 -4.082 -2.683 0.885 122 1HB CYS 18 2HB CYS 18 -2.750 -1.986 3.477 123 2HB CYS 18 1HB CYS 18 -4.440 -2.441 3.467 124 H GLU 19 H GLU 19 -6.049 -1.770 2.406 125 HA GLU 19 HA GLU 19 -6.866 0.686 1.209 126 1HB GLU 19 2HB GLU 19 -8.160 -1.296 2.514 127 2HB GLU 19 1HB GLU 19 -8.098 -0.089 3.795 128 1HG GLU 19 2HG GLU 19 -8.872 1.524 1.816 129 2HG GLU 19 1HG GLU 19 -9.511 0.015 1.165 130 H LEU 20 H LEU 20 -5.762 -0.044 4.498 131 HA LEU 20 HA LEU 20 -5.918 2.575 5.564 132 1HB LEU 20 2HB LEU 20 -4.220 1.814 7.206 133 2HB LEU 20 1HB LEU 20 -5.505 0.628 6.984 134 HG LEU 20 HG LEU 20 -3.419 0.139 5.042 135 1HD1 LEU 20 1HD1 LEU 20 -2.370 -0.248 7.821 136 2HD1 LEU 20 2HD1 LEU 20 -2.191 1.336 7.067 137 3HD1 LEU 20 3HD1 LEU 20 -1.488 -0.088 6.302 138 1HD2 LEU 20 1HD2 LEU 20 -3.871 -1.627 7.413 139 2HD2 LEU 20 2HD2 LEU 20 -3.742 -2.052 5.706 140 3HD2 LEU 20 3HD2 LEU 20 -5.234 -1.346 6.328 141 H THR 21 H THR 21 -3.674 1.232 3.295 142 HA THR 21 HA THR 21 -2.142 3.795 3.350 143 HB THR 21 HB THR 21 -0.170 2.338 2.565 144 HG1 THR 21 1HG THR 21 -0.341 0.167 3.224 145 1HG2 THR 21 1HG2 THR 21 -1.340 2.394 5.328 146 2HG2 THR 21 2HG2 THR 21 0.092 3.214 4.708 147 3HG2 THR 21 3HG2 THR 21 0.139 1.481 5.031 148 HA PRO 22 HA PRO 22 -3.643 3.124 -0.923 149 1HB PRO 22 2HB PRO 22 -4.522 5.678 -1.306 150 2HB PRO 22 1HB PRO 22 -5.482 4.430 -0.500 151 1HG PRO 22 2HG PRO 22 -4.219 6.809 0.636 152 2HG PRO 22 1HG PRO 22 -5.474 5.769 1.323 153 1HD PRO 22 2HD PRO 22 -2.628 5.779 1.897 154 2HD PRO 22 1HD PRO 22 -3.908 4.827 2.680 155 H VAL 23 H VAL 23 -0.941 4.484 0.297 156 HA VAL 23 HA VAL 23 -0.103 5.525 -2.381 157 HB VAL 23 HB VAL 23 0.790 6.619 0.302 158 1HG1 VAL 23 1HG1 VAL 23 1.410 7.283 -2.575 159 2HG1 VAL 23 2HG1 VAL 23 2.535 6.997 -1.247 160 3HG1 VAL 23 3HG1 VAL 23 1.597 8.489 -1.301 161 1HG2 VAL 23 1HG2 VAL 23 -1.574 7.157 -0.209 162 2HG2 VAL 23 2HG2 VAL 23 -1.070 7.816 -1.765 163 3HG2 VAL 23 3HG2 VAL 23 -0.547 8.589 -0.269 164 H CYS 24 H CYS 24 2.099 5.206 -2.885 165 HA CYS 24 HA CYS 24 3.625 3.369 -1.117 166 1HB CYS 24 2HB CYS 24 2.442 1.962 -2.757 167 2HB CYS 24 1HB CYS 24 3.084 2.940 -4.073 168 H LYS 25 H LYS 25 4.999 5.146 -0.674 169 HA LYS 25 HA LYS 25 6.523 6.178 -3.041 170 1HB LYS 25 2HB LYS 25 5.295 7.917 -1.782 171 2HB LYS 25 1HB LYS 25 6.203 7.496 -0.337 172 1HG LYS 25 2HG LYS 25 7.352 9.358 -1.272 173 2HG LYS 25 1HG LYS 25 8.309 7.953 -1.735 174 1HD LYS 25 2HD LYS 25 8.075 9.285 -3.714 175 2HD LYS 25 1HD LYS 25 6.982 7.915 -3.908 176 1HE LYS 25 2HE LYS 25 5.072 9.214 -3.469 177 2HE LYS 25 1HE LYS 25 6.005 10.483 -2.676 178 1HZ LYS 25 1HZ LYS 25 6.955 11.103 -4.774 179 2HZ LYS 25 2HZ LYS 25 5.262 11.094 -4.922 180 3HZ LYS 25 3HZ LYS 25 6.180 9.816 -5.564 181 H ARG 26 H ARG 26 8.715 6.179 -2.964 182 HA ARG 26 HA ARG 26 10.850 5.367 -2.403 183 1HB ARG 26 2HB ARG 26 10.151 6.838 -0.328 184 2HB ARG 26 1HB ARG 26 10.028 5.276 0.481 185 1HG ARG 26 2HG ARG 26 12.325 4.749 -0.024 186 2HG ARG 26 1HG ARG 26 12.472 6.163 -1.068 187 1HD ARG 26 2HD ARG 26 12.335 7.667 0.776 188 2HD ARG 26 1HD ARG 26 11.774 6.398 1.864 189 HE ARG 26 HE ARG 26 14.546 6.934 1.138 190 1HH1 ARG 26 1HH2 ARG 26 12.274 4.500 2.211 191 2HH1 ARG 26 2HH2 ARG 26 13.507 3.528 2.935 192 1HH2 ARG 26 1HH1 ARG 26 16.106 5.643 2.087 193 2HH2 ARG 26 2HH1 ARG 26 15.652 4.165 2.866 194 H GLY 27 H GLY 27 8.555 3.501 -2.853 195 1HA GLY 27 2HA GLY 27 8.206 1.183 -2.812 196 2HA GLY 27 1HA GLY 27 9.868 1.030 -2.235 197 H SER 28 H SER 28 7.401 2.919 -0.576 198 HA SER 28 HA SER 28 7.133 0.809 1.488 199 1HB SER 28 2HB SER 28 8.313 3.540 1.834 200 2HB SER 28 1HB SER 28 7.339 2.874 3.142 201 HG SER 28 HG SER 28 9.557 1.611 1.889 202 H CYS 29 H CYS 29 5.050 0.616 2.028 203 HA CYS 29 HA CYS 29 2.996 2.241 0.880 204 1HB CYS 29 2HB CYS 29 2.986 0.207 3.120 205 2HB CYS 29 1HB CYS 29 1.517 1.010 2.565 206 H VAL 30 H VAL 30 1.750 3.881 1.767 207 HA VAL 30 HA VAL 30 2.189 4.719 4.556 208 HB VAL 30 HB VAL 30 2.713 7.064 3.864 209 1HG1 VAL 30 1HG1 VAL 30 5.043 6.663 3.474 210 2HG1 VAL 30 2HG1 VAL 30 4.714 5.103 2.718 211 3HG1 VAL 30 3HG1 VAL 30 4.468 5.312 4.451 212 1HG2 VAL 30 1HG2 VAL 30 3.752 6.982 1.385 213 2HG2 VAL 30 2HG2 VAL 30 2.070 7.419 1.681 214 3HG2 VAL 30 3HG2 VAL 30 2.479 5.779 1.182 215 H SER 31 H SER 31 0.611 6.394 5.195 216 HA SER 31 HA SER 31 -1.934 6.040 3.724 217 1HB SER 31 2HB SER 31 -1.327 7.266 6.430 218 2HB SER 31 1HB SER 31 -2.942 7.083 5.750 219 HG SER 31 HG SER 31 -1.314 5.248 6.943 220 H SER 32 H SER 32 -0.183 7.622 2.300 221 HA SER 32 HA SER 32 0.033 9.711 1.275 222 1HB SER 32 2HB SER 32 -1.976 10.814 0.816 223 2HB SER 32 1HB SER 32 -2.524 9.184 1.178 224 HG SER 32 HG SER 32 -3.257 11.403 2.349 Start of MODEL 9 1 1H LEU 1 1HT LEU 1 -12.709 -8.122 -6.473 2 2H LEU 1 2HT LEU 1 -13.683 -8.463 -5.123 3 3H LEU 1 3HT LEU 1 -13.044 -9.731 -6.056 4 HA LEU 1 HA LEU 1 -11.618 -9.739 -4.271 5 1HB LEU 1 2HB LEU 1 -10.380 -7.694 -6.140 6 2HB LEU 1 1HB LEU 1 -9.521 -8.801 -5.068 7 HG LEU 1 HG LEU 1 -11.361 -9.713 -7.295 8 1HD1 LEU 1 1HD1 LEU 1 -9.213 -10.313 -8.457 9 2HD1 LEU 1 2HD1 LEU 1 -8.346 -9.401 -7.221 10 3HD1 LEU 1 3HD1 LEU 1 -9.469 -8.574 -8.301 11 1HD2 LEU 1 1HD2 LEU 1 -9.425 -11.085 -5.417 12 2HD2 LEU 1 2HD2 LEU 1 -9.999 -11.849 -6.899 13 3HD2 LEU 1 3HD2 LEU 1 -11.145 -11.413 -5.631 14 H LEU 2 H LEU 2 -9.800 -7.868 -3.329 15 HA LEU 2 HA LEU 2 -11.498 -5.647 -2.289 16 1HB LEU 2 2HB LEU 2 -9.569 -7.331 -0.658 17 2HB LEU 2 1HB LEU 2 -10.549 -5.995 -0.055 18 HG LEU 2 HG LEU 2 -12.522 -7.435 -1.115 19 1HD1 LEU 2 1HD1 LEU 2 -11.747 -9.890 -0.313 20 2HD1 LEU 2 2HD1 LEU 2 -10.196 -9.277 -0.889 21 3HD1 LEU 2 3HD1 LEU 2 -11.581 -9.340 -1.980 22 1HD2 LEU 2 1HD2 LEU 2 -11.156 -7.995 1.536 23 2HD2 LEU 2 2HD2 LEU 2 -12.801 -8.492 1.137 24 3HD2 LEU 2 3HD2 LEU 2 -12.396 -6.778 1.234 25 H ALA 3 H ALA 3 -9.549 -4.432 -0.719 26 HA ALA 3 HA ALA 3 -7.380 -3.830 -2.685 27 1HB ALA 3 1HB ALA 3 -9.033 -1.948 -0.986 28 2HB ALA 3 2HB ALA 3 -8.844 -1.943 -2.740 29 3HB ALA 3 3HB ALA 3 -7.496 -1.465 -1.706 30 H CYS 4 H CYS 4 -6.619 -5.686 -1.035 31 HA CYS 4 HA CYS 4 -4.539 -4.551 0.549 32 1HB CYS 4 2HB CYS 4 -6.411 -3.956 2.061 33 2HB CYS 4 1HB CYS 4 -6.879 -5.652 2.134 34 H LEU 5 H LEU 5 -3.309 -6.126 -0.480 35 HA LEU 5 HA LEU 5 -3.824 -8.933 0.414 36 1HB LEU 5 2HB LEU 5 -2.838 -9.667 -1.774 37 2HB LEU 5 1HB LEU 5 -4.364 -8.801 -1.956 38 HG LEU 5 HG LEU 5 -1.883 -7.157 -1.986 39 1HD1 LEU 5 1HD1 LEU 5 -2.712 -8.512 -4.533 40 2HD1 LEU 5 2HD1 LEU 5 -1.615 -9.348 -3.432 41 3HD1 LEU 5 3HD1 LEU 5 -1.162 -7.784 -4.110 42 1HD2 LEU 5 1HD2 LEU 5 -4.477 -6.587 -2.349 43 2HD2 LEU 5 2HD2 LEU 5 -4.074 -7.017 -4.010 44 3HD2 LEU 5 3HD2 LEU 5 -3.208 -5.710 -3.203 45 H PHE 6 H PHE 6 -2.093 -6.756 1.512 46 HA PHE 6 HA PHE 6 0.507 -8.216 1.287 47 1HB PHE 6 2HB PHE 6 -0.088 -5.470 0.589 48 2HB PHE 6 1HB PHE 6 1.074 -5.507 1.913 49 HD1 PHE 6 1HD PHE 6 0.625 -5.851 -1.616 50 HD2 PHE 6 2HD PHE 6 3.101 -7.119 1.657 51 HE1 PHE 6 1HE PHE 6 2.421 -6.463 -3.213 52 HE2 PHE 6 2HE PHE 6 4.899 -7.729 0.061 53 HZ PHE 6 HZ PHE 6 4.558 -7.401 -2.374 54 H GLY 7 H GLY 7 -0.502 -5.404 3.237 55 1HA GLY 7 2HA GLY 7 -0.959 -5.321 5.575 56 2HA GLY 7 1HA GLY 7 -0.613 -7.048 5.676 57 H ASN 8 H ASN 8 1.575 -4.819 4.082 58 HA ASN 8 HA ASN 8 3.406 -4.912 6.435 59 1HB ASN 8 2HB ASN 8 3.781 -6.601 4.341 60 2HB ASN 8 1HB ASN 8 4.668 -5.192 3.760 61 1HD2 ASN 8 1HD2 ASN 8 6.791 -6.095 4.102 62 2HD2 ASN 8 2HD2 ASN 8 7.398 -6.422 5.653 63 H GLY 9 H GLY 9 5.560 -3.578 5.174 64 1HA GLY 9 2HA GLY 9 4.293 -0.969 4.434 65 2HA GLY 9 1HA GLY 9 5.716 -1.071 5.470 66 H ARG 10 H ARG 10 5.448 -3.247 2.756 67 HA ARG 10 HA ARG 10 7.426 -1.578 1.254 68 1HB ARG 10 2HB ARG 10 7.399 -4.608 1.407 69 2HB ARG 10 1HB ARG 10 8.613 -3.598 0.618 70 1HG ARG 10 2HG ARG 10 8.653 -2.534 3.121 71 2HG ARG 10 1HG ARG 10 8.241 -4.208 3.496 72 1HD ARG 10 2HD ARG 10 10.545 -3.438 1.688 73 2HD ARG 10 1HD ARG 10 10.728 -3.717 3.419 74 HE ARG 10 HE ARG 10 9.420 -5.987 2.444 75 1HH1 ARG 10 1HH2 ARG 10 12.440 -4.334 1.823 76 2HH1 ARG 10 2HH2 ARG 10 13.258 -5.787 1.368 77 1HH2 ARG 10 1HH1 ARG 10 10.519 -7.842 1.847 78 2HH2 ARG 10 2HH1 ARG 10 12.184 -7.753 1.379 79 H CYS 11 H CYS 11 6.911 -1.271 -0.890 80 HA CYS 11 HA CYS 11 5.030 -3.132 -2.218 81 1HB CYS 11 2HB CYS 11 3.651 -1.132 -2.997 82 2HB CYS 11 1HB CYS 11 3.434 -1.602 -1.317 83 H SER 12 H SER 12 4.539 -2.118 -4.500 84 HA SER 12 HA SER 12 7.028 -0.923 -5.629 85 1HB SER 12 2HB SER 12 5.496 -3.336 -6.599 86 2HB SER 12 1HB SER 12 6.543 -2.409 -7.671 87 HG SER 12 HG SER 12 7.239 -3.732 -5.256 88 H SER 13 H SER 13 3.928 -0.293 -5.022 89 HA SER 13 HA SER 13 3.641 1.772 -6.943 90 1HB SER 13 2HB SER 13 3.223 0.215 -8.661 91 2HB SER 13 1HB SER 13 2.347 -0.873 -7.591 92 HG SER 13 HG SER 13 0.708 0.123 -8.529 93 H ASN 14 H ASN 14 1.422 2.773 -6.732 94 HA ASN 14 HA ASN 14 0.616 2.960 -4.022 95 1HB ASN 14 2HB ASN 14 -0.920 3.643 -6.537 96 2HB ASN 14 1HB ASN 14 -1.389 4.145 -4.914 97 1HD2 ASN 14 1HD2 ASN 14 -0.771 6.096 -6.896 98 2HD2 ASN 14 2HD2 ASN 14 0.675 6.875 -6.465 99 H ARG 15 H ARG 15 -0.851 1.102 -6.696 100 HA ARG 15 HA ARG 15 -3.000 0.071 -5.074 101 1HB ARG 15 2HB ARG 15 -2.084 -0.170 -7.813 102 2HB ARG 15 1HB ARG 15 -2.626 -1.724 -7.183 103 1HG ARG 15 2HG ARG 15 -4.582 -0.712 -8.081 104 2HG ARG 15 1HG ARG 15 -4.704 -0.469 -6.339 105 1HD ARG 15 2HD ARG 15 -3.859 1.803 -6.548 106 2HD ARG 15 1HD ARG 15 -3.570 1.572 -8.272 107 HE ARG 15 HE ARG 15 -6.141 2.142 -7.026 108 1HH1 ARG 15 1HH2 ARG 15 -4.544 0.653 -9.758 109 2HH1 ARG 15 2HH2 ARG 15 -5.925 0.818 -10.785 110 1HH2 ARG 15 1HH1 ARG 15 -7.906 2.336 -8.391 111 2HH2 ARG 15 2HH1 ARG 15 -7.809 1.760 -10.021 112 H ASP 16 H ASP 16 0.290 -0.707 -5.134 113 HA ASP 16 HA ASP 16 0.005 -3.542 -4.509 114 1HB ASP 16 2HB ASP 16 2.181 -1.616 -4.933 115 2HB ASP 16 1HB ASP 16 2.525 -2.772 -3.649 116 H CYS 17 H CYS 17 -0.705 -0.787 -2.742 117 HA CYS 17 HA CYS 17 0.234 -1.924 -0.164 118 1HB CYS 17 2HB CYS 17 -0.958 0.759 -0.903 119 2HB CYS 17 1HB CYS 17 -0.563 0.282 0.748 120 H CYS 18 H CYS 18 -1.623 -1.154 1.624 121 HA CYS 18 HA CYS 18 -4.004 -2.734 0.833 122 1HB CYS 18 2HB CYS 18 -2.527 -2.205 3.348 123 2HB CYS 18 1HB CYS 18 -4.255 -2.445 3.487 124 H GLU 19 H GLU 19 -5.933 -1.893 2.473 125 HA GLU 19 HA GLU 19 -6.841 0.568 1.348 126 1HB GLU 19 2HB GLU 19 -8.045 -1.468 2.656 127 2HB GLU 19 1HB GLU 19 -7.971 -0.284 3.955 128 1HG GLU 19 2HG GLU 19 -9.410 1.171 2.906 129 2HG GLU 19 1HG GLU 19 -8.875 0.699 1.292 130 H LEU 20 H LEU 20 -5.583 -0.208 4.568 131 HA LEU 20 HA LEU 20 -5.777 2.403 5.675 132 1HB LEU 20 2HB LEU 20 -4.020 1.639 7.273 133 2HB LEU 20 1HB LEU 20 -5.339 0.483 7.100 134 HG LEU 20 HG LEU 20 -3.165 0.067 5.158 135 1HD1 LEU 20 1HD1 LEU 20 -2.508 -0.740 7.973 136 2HD1 LEU 20 2HD1 LEU 20 -2.095 0.887 7.430 137 3HD1 LEU 20 3HD1 LEU 20 -1.429 -0.517 6.594 138 1HD2 LEU 20 1HD2 LEU 20 -3.943 -1.990 7.157 139 2HD2 LEU 20 2HD2 LEU 20 -3.802 -2.122 5.405 140 3HD2 LEU 20 3HD2 LEU 20 -5.240 -1.396 6.122 141 H THR 21 H THR 21 -3.604 1.160 3.297 142 HA THR 21 HA THR 21 -2.071 3.719 3.418 143 HB THR 21 HB THR 21 -0.108 2.284 2.538 144 HG1 THR 21 1HG THR 21 -0.287 0.169 2.729 145 1HG2 THR 21 1HG2 THR 21 0.727 2.135 4.690 146 2HG2 THR 21 2HG2 THR 21 -0.786 1.510 5.346 147 3HG2 THR 21 3HG2 THR 21 -0.632 3.225 4.965 148 HA PRO 22 HA PRO 22 -3.628 3.171 -0.852 149 1HB PRO 22 2HB PRO 22 -4.492 5.740 -1.160 150 2HB PRO 22 1HB PRO 22 -5.449 4.478 -0.370 151 1HG PRO 22 2HG PRO 22 -4.150 6.821 0.806 152 2HG PRO 22 1HG PRO 22 -5.403 5.772 1.485 153 1HD PRO 22 2HD PRO 22 -2.548 5.746 2.019 154 2HD PRO 22 1HD PRO 22 -3.825 4.783 2.797 155 H VAL 23 H VAL 23 -0.913 4.548 0.378 156 HA VAL 23 HA VAL 23 -0.107 5.610 -2.303 157 HB VAL 23 HB VAL 23 0.834 6.657 0.385 158 1HG1 VAL 23 1HG1 VAL 23 1.802 8.473 -1.031 159 2HG1 VAL 23 2HG1 VAL 23 1.304 7.580 -2.468 160 3HG1 VAL 23 3HG1 VAL 23 2.511 6.896 -1.379 161 1HG2 VAL 23 1HG2 VAL 23 -1.344 7.478 0.232 162 2HG2 VAL 23 2HG2 VAL 23 -1.300 7.544 -1.529 163 3HG2 VAL 23 3HG2 VAL 23 -0.424 8.744 -0.579 164 H CYS 24 H CYS 24 2.026 5.201 -2.912 165 HA CYS 24 HA CYS 24 3.597 3.361 -1.178 166 1HB CYS 24 2HB CYS 24 2.358 1.975 -2.783 167 2HB CYS 24 1HB CYS 24 2.953 2.962 -4.114 168 H LYS 25 H LYS 25 5.006 5.131 -0.767 169 HA LYS 25 HA LYS 25 6.499 6.106 -3.177 170 1HB LYS 25 2HB LYS 25 5.308 7.892 -1.953 171 2HB LYS 25 1HB LYS 25 6.224 7.497 -0.505 172 1HG LYS 25 2HG LYS 25 8.143 8.458 -1.304 173 2HG LYS 25 1HG LYS 25 7.815 7.968 -2.966 174 1HD LYS 25 2HD LYS 25 7.648 10.392 -2.814 175 2HD LYS 25 1HD LYS 25 6.039 9.724 -3.087 176 1HE LYS 25 2HE LYS 25 5.287 10.359 -1.030 177 2HE LYS 25 1HE LYS 25 6.820 9.984 -0.243 178 1HZ LYS 25 1HZ LYS 25 6.171 12.410 -0.392 179 2HZ LYS 25 2HZ LYS 25 6.513 12.302 -2.053 180 3HZ LYS 25 3HZ LYS 25 7.736 12.011 -0.909 181 H ARG 26 H ARG 26 8.699 6.097 -3.112 182 HA ARG 26 HA ARG 26 10.830 5.272 -2.549 183 1HB ARG 26 2HB ARG 26 10.201 6.793 -0.508 184 2HB ARG 26 1HB ARG 26 9.991 5.261 0.341 185 1HG ARG 26 2HG ARG 26 12.341 4.693 -0.700 186 2HG ARG 26 1HG ARG 26 12.486 6.447 -0.830 187 1HD ARG 26 2HD ARG 26 11.756 6.503 1.646 188 2HD ARG 26 1HD ARG 26 12.129 4.780 1.660 189 HE ARG 26 HE ARG 26 14.070 6.957 1.566 190 1HH1 ARG 26 1HH2 ARG 26 13.465 3.604 0.769 191 2HH1 ARG 26 2HH2 ARG 26 15.145 3.195 0.786 192 1HH2 ARG 26 1HH1 ARG 26 16.231 6.382 1.573 193 2HH2 ARG 26 2HH1 ARG 26 16.694 4.747 1.234 194 H GLY 27 H GLY 27 8.513 3.423 -2.957 195 1HA GLY 27 2HA GLY 27 8.135 1.109 -2.873 196 2HA GLY 27 1HA GLY 27 9.803 0.948 -2.315 197 H SER 28 H SER 28 7.385 2.888 -0.649 198 HA SER 28 HA SER 28 7.118 0.811 1.449 199 1HB SER 28 2HB SER 28 8.109 3.642 1.849 200 2HB SER 28 1HB SER 28 7.467 2.663 3.165 201 HG SER 28 HG SER 28 9.098 1.182 2.823 202 H CYS 29 H CYS 29 5.040 0.649 2.017 203 HA CYS 29 HA CYS 29 3.001 2.318 0.883 204 1HB CYS 29 2HB CYS 29 2.947 0.246 3.090 205 2HB CYS 29 1HB CYS 29 1.497 1.058 2.499 206 H VAL 30 H VAL 30 1.759 3.933 1.825 207 HA VAL 30 HA VAL 30 2.226 4.701 4.630 208 HB VAL 30 HB VAL 30 2.743 7.062 3.988 209 1HG1 VAL 30 1HG1 VAL 30 5.081 6.658 3.500 210 2HG1 VAL 30 2HG1 VAL 30 4.713 5.065 2.841 211 3HG1 VAL 30 3HG1 VAL 30 4.515 5.373 4.566 212 1HG2 VAL 30 1HG2 VAL 30 2.586 5.819 1.264 213 2HG2 VAL 30 2HG2 VAL 30 3.748 7.118 1.532 214 3HG2 VAL 30 3HG2 VAL 30 2.029 7.402 1.804 215 H SER 31 H SER 31 0.641 6.340 5.331 216 HA SER 31 HA SER 31 -1.910 6.023 3.865 217 1HB SER 31 2HB SER 31 -1.324 7.223 6.587 218 2HB SER 31 1HB SER 31 -2.928 6.947 5.917 219 HG SER 31 HG SER 31 -1.053 5.150 6.916 220 H SER 32 H SER 32 -0.165 7.664 2.479 221 HA SER 32 HA SER 32 -0.036 9.781 1.481 222 1HB SER 32 2HB SER 32 -2.561 10.674 2.791 223 2HB SER 32 1HB SER 32 -2.052 10.828 1.112 224 HG SER 32 HG SER 32 -3.734 9.279 1.415 Start of MODEL 10 1 1H LEU 1 1HT LEU 1 -12.257 -9.003 2.162 2 2H LEU 1 2HT LEU 1 -10.861 -9.361 1.262 3 3H LEU 1 3HT LEU 1 -12.399 -9.562 0.566 4 HA LEU 1 HA LEU 1 -12.776 -7.280 0.399 5 1HB LEU 1 2HB LEU 1 -11.303 -7.201 2.780 6 2HB LEU 1 1HB LEU 1 -10.314 -6.299 1.637 7 HG LEU 1 HG LEU 1 -11.895 -4.800 2.781 8 1HD1 LEU 1 1HD1 LEU 1 -12.554 -3.624 0.883 9 2HD1 LEU 1 2HD1 LEU 1 -13.022 -5.086 0.014 10 3HD1 LEU 1 3HD1 LEU 1 -11.316 -4.686 0.210 11 1HD2 LEU 1 1HD2 LEU 1 -14.173 -5.174 2.919 12 2HD2 LEU 1 2HD2 LEU 1 -13.608 -6.844 2.895 13 3HD2 LEU 1 3HD2 LEU 1 -14.219 -6.099 1.418 14 H LEU 2 H LEU 2 -11.977 -6.167 -1.401 15 HA LEU 2 HA LEU 2 -9.547 -7.361 -2.653 16 1HB LEU 2 2HB LEU 2 -11.923 -7.256 -3.782 17 2HB LEU 2 1HB LEU 2 -11.478 -5.581 -4.114 18 HG LEU 2 HG LEU 2 -9.256 -6.571 -5.016 19 1HD1 LEU 2 1HD1 LEU 2 -9.936 -8.872 -4.022 20 2HD1 LEU 2 2HD1 LEU 2 -9.227 -8.845 -5.637 21 3HD1 LEU 2 3HD1 LEU 2 -10.972 -9.013 -5.444 22 1HD2 LEU 2 1HD2 LEU 2 -10.177 -6.672 -7.202 23 2HD2 LEU 2 2HD2 LEU 2 -11.272 -5.612 -6.316 24 3HD2 LEU 2 3HD2 LEU 2 -11.718 -7.292 -6.613 25 H ALA 3 H ALA 3 -9.186 -5.433 -0.601 26 HA ALA 3 HA ALA 3 -7.839 -3.305 -2.169 27 1HB ALA 3 1HB ALA 3 -9.990 -2.315 -1.537 28 2HB ALA 3 2HB ALA 3 -8.691 -1.560 -0.615 29 3HB ALA 3 3HB ALA 3 -9.725 -2.769 0.146 30 H CYS 4 H CYS 4 -6.893 -5.650 -0.694 31 HA CYS 4 HA CYS 4 -4.725 -4.471 0.725 32 1HB CYS 4 2HB CYS 4 -6.461 -3.989 2.424 33 2HB CYS 4 1HB CYS 4 -6.865 -5.700 2.490 34 H LEU 5 H LEU 5 -3.521 -5.963 -0.446 35 HA LEU 5 HA LEU 5 -3.865 -8.819 0.380 36 1HB LEU 5 2HB LEU 5 -2.978 -9.427 -1.890 37 2HB LEU 5 1HB LEU 5 -4.550 -8.628 -1.945 38 HG LEU 5 HG LEU 5 -2.177 -6.842 -2.048 39 1HD1 LEU 5 1HD1 LEU 5 -1.795 -8.969 -3.548 40 2HD1 LEU 5 2HD1 LEU 5 -1.504 -7.365 -4.221 41 3HD1 LEU 5 3HD1 LEU 5 -3.004 -8.217 -4.588 42 1HD2 LEU 5 1HD2 LEU 5 -3.613 -5.656 -3.646 43 2HD2 LEU 5 2HD2 LEU 5 -4.534 -6.050 -2.194 44 3HD2 LEU 5 3HD2 LEU 5 -4.745 -7.009 -3.660 45 H PHE 6 H PHE 6 -2.148 -6.630 1.468 46 HA PHE 6 HA PHE 6 0.493 -7.950 0.991 47 1HB PHE 6 2HB PHE 6 -0.284 -5.170 0.624 48 2HB PHE 6 1HB PHE 6 1.011 -5.303 1.813 49 HD1 PHE 6 1HD PHE 6 0.026 -6.610 -1.564 50 HD2 PHE 6 2HD PHE 6 3.221 -5.474 1.072 51 HE1 PHE 6 1HE PHE 6 1.664 -6.980 -3.389 52 HE2 PHE 6 2HE PHE 6 4.859 -5.845 -0.753 53 HZ PHE 6 HZ PHE 6 4.080 -6.598 -2.983 54 H GLY 7 H GLY 7 -0.502 -5.367 3.238 55 1HA GLY 7 2HA GLY 7 -0.802 -5.488 5.596 56 2HA GLY 7 1HA GLY 7 -0.442 -7.213 5.527 57 H ASN 8 H ASN 8 1.635 -4.813 4.026 58 HA ASN 8 HA ASN 8 3.586 -5.064 6.263 59 1HB ASN 8 2HB ASN 8 3.864 -6.640 4.075 60 2HB ASN 8 1HB ASN 8 4.711 -5.199 3.515 61 1HD2 ASN 8 1HD2 ASN 8 4.940 -7.964 5.599 62 2HD2 ASN 8 2HD2 ASN 8 6.437 -7.576 6.300 63 H GLY 9 H GLY 9 5.668 -3.630 5.208 64 1HA GLY 9 2HA GLY 9 4.397 -1.006 4.539 65 2HA GLY 9 1HA GLY 9 5.834 -1.154 5.549 66 H ARG 10 H ARG 10 5.561 -3.229 2.769 67 HA ARG 10 HA ARG 10 7.459 -1.467 1.275 68 1HB ARG 10 2HB ARG 10 8.530 -3.627 0.464 69 2HB ARG 10 1HB ARG 10 8.804 -3.250 2.164 70 1HG ARG 10 2HG ARG 10 7.353 -4.917 2.908 71 2HG ARG 10 1HG ARG 10 6.440 -4.938 1.401 72 1HD ARG 10 2HD ARG 10 7.711 -6.629 0.639 73 2HD ARG 10 1HD ARG 10 9.160 -5.640 0.814 74 HE ARG 10 HE ARG 10 8.267 -7.718 2.653 75 1HH1 ARG 10 1HH2 ARG 10 10.100 -4.755 2.335 76 2HH1 ARG 10 2HH2 ARG 10 11.080 -5.096 3.716 77 1HH2 ARG 10 1HH1 ARG 10 9.560 -8.117 4.434 78 2HH2 ARG 10 2HH1 ARG 10 10.781 -6.978 4.893 79 H CYS 11 H CYS 11 6.947 -1.198 -0.877 80 HA CYS 11 HA CYS 11 5.097 -3.099 -2.188 81 1HB CYS 11 2HB CYS 11 3.672 -1.119 -2.956 82 2HB CYS 11 1HB CYS 11 3.468 -1.613 -1.282 83 H SER 12 H SER 12 4.565 -2.067 -4.471 84 HA SER 12 HA SER 12 7.038 -0.839 -5.599 85 1HB SER 12 2HB SER 12 5.484 -2.912 -7.122 86 2HB SER 12 1HB SER 12 7.149 -2.388 -7.357 87 HG SER 12 HG SER 12 6.172 -4.361 -5.804 88 H SER 13 H SER 13 3.929 -0.244 -4.988 89 HA SER 13 HA SER 13 3.624 1.826 -6.903 90 1HB SER 13 2HB SER 13 3.257 0.238 -8.620 91 2HB SER 13 1HB SER 13 2.325 -0.818 -7.564 92 HG SER 13 HG SER 13 1.589 1.526 -8.894 93 H ASN 14 H ASN 14 1.339 2.742 -6.756 94 HA ASN 14 HA ASN 14 0.516 2.953 -4.046 95 1HB ASN 14 2HB ASN 14 -0.576 3.800 -6.681 96 2HB ASN 14 1HB ASN 14 -1.715 3.754 -5.334 97 1HD2 ASN 14 1HD2 ASN 14 -1.881 6.005 -4.889 98 2HD2 ASN 14 2HD2 ASN 14 -0.558 6.967 -4.433 99 H ARG 15 H ARG 15 -0.860 1.011 -6.709 100 HA ARG 15 HA ARG 15 -2.996 -0.065 -5.100 101 1HB ARG 15 2HB ARG 15 -2.083 -0.268 -7.823 102 2HB ARG 15 1HB ARG 15 -2.449 -1.875 -7.200 103 1HG ARG 15 2HG ARG 15 -4.609 -0.622 -6.263 104 2HG ARG 15 1HG ARG 15 -4.270 0.459 -7.615 105 1HD ARG 15 2HD ARG 15 -4.461 -1.297 -9.207 106 2HD ARG 15 1HD ARG 15 -4.372 -2.540 -7.960 107 HE ARG 15 HE ARG 15 -6.652 -0.817 -7.540 108 1HH1 ARG 15 1HH2 ARG 15 -5.475 -3.481 -9.478 109 2HH1 ARG 15 2HH2 ARG 15 -7.062 -4.095 -9.778 110 1HH2 ARG 15 1HH1 ARG 15 -8.688 -1.647 -7.955 111 2HH2 ARG 15 2HH1 ARG 15 -8.863 -3.070 -8.926 112 H ASP 16 H ASP 16 0.320 -0.720 -5.073 113 HA ASP 16 HA ASP 16 0.116 -3.556 -4.408 114 1HB ASP 16 2HB ASP 16 2.235 -1.572 -4.837 115 2HB ASP 16 1HB ASP 16 2.596 -2.692 -3.525 116 H CYS 17 H CYS 17 -0.724 -0.807 -2.703 117 HA CYS 17 HA CYS 17 0.206 -1.889 -0.093 118 1HB CYS 17 2HB CYS 17 -0.970 0.786 -0.885 119 2HB CYS 17 1HB CYS 17 -0.610 0.328 0.779 120 H CYS 18 H CYS 18 -1.652 -1.136 1.667 121 HA CYS 18 HA CYS 18 -4.031 -2.699 0.858 122 1HB CYS 18 2HB CYS 18 -2.611 -2.123 3.408 123 2HB CYS 18 1HB CYS 18 -4.331 -2.431 3.489 124 H GLU 19 H GLU 19 -5.975 -1.843 2.471 125 HA GLU 19 HA GLU 19 -6.868 0.610 1.322 126 1HB GLU 19 2HB GLU 19 -8.087 -1.407 2.649 127 2HB GLU 19 1HB GLU 19 -8.007 -0.208 3.936 128 1HG GLU 19 2HG GLU 19 -9.266 1.373 2.703 129 2HG GLU 19 1HG GLU 19 -9.012 0.513 1.183 130 H LEU 20 H LEU 20 -5.668 -0.132 4.577 131 HA LEU 20 HA LEU 20 -5.816 2.500 5.632 132 1HB LEU 20 2HB LEU 20 -4.085 1.723 7.259 133 2HB LEU 20 1HB LEU 20 -5.432 0.600 7.091 134 HG LEU 20 HG LEU 20 -3.647 -0.229 5.111 135 1HD1 LEU 20 1HD1 LEU 20 -1.472 -0.208 5.948 136 2HD1 LEU 20 2HD1 LEU 20 -2.005 0.034 7.611 137 3HD1 LEU 20 3HD1 LEU 20 -2.052 1.374 6.467 138 1HD2 LEU 20 1HD2 LEU 20 -4.675 -1.943 6.275 139 2HD2 LEU 20 2HD2 LEU 20 -4.447 -1.159 7.839 140 3HD2 LEU 20 3HD2 LEU 20 -3.095 -1.978 7.058 141 H THR 21 H THR 21 -3.629 1.154 3.320 142 HA THR 21 HA THR 21 -2.030 3.675 3.413 143 HB THR 21 HB THR 21 -0.206 2.055 2.375 144 HG1 THR 21 1HG THR 21 -1.708 0.325 4.041 145 1HG2 THR 21 1HG2 THR 21 -0.540 3.265 4.795 146 2HG2 THR 21 2HG2 THR 21 0.866 2.287 4.371 147 3HG2 THR 21 3HG2 THR 21 -0.463 1.571 5.279 148 HA PRO 22 HA PRO 22 -3.681 3.243 -0.830 149 1HB PRO 22 2HB PRO 22 -4.501 5.834 -1.060 150 2HB PRO 22 1HB PRO 22 -5.461 4.578 -0.264 151 1HG PRO 22 2HG PRO 22 -4.109 6.879 0.914 152 2HG PRO 22 1HG PRO 22 -5.317 5.804 1.630 153 1HD PRO 22 2HD PRO 22 -2.416 5.770 1.967 154 2HD PRO 22 1HD PRO 22 -3.649 4.852 2.860 155 H VAL 23 H VAL 23 -0.910 4.529 0.358 156 HA VAL 23 HA VAL 23 -0.122 5.586 -2.326 157 HB VAL 23 HB VAL 23 0.800 6.706 0.335 158 1HG1 VAL 23 1HG1 VAL 23 1.758 8.492 -1.082 159 2HG1 VAL 23 2HG1 VAL 23 1.200 7.643 -2.523 160 3HG1 VAL 23 3HG1 VAL 23 2.437 6.917 -1.497 161 1HG2 VAL 23 1HG2 VAL 23 -1.322 7.580 0.258 162 2HG2 VAL 23 2HG2 VAL 23 -1.444 7.402 -1.493 163 3HG2 VAL 23 3HG2 VAL 23 -0.522 8.738 -0.804 164 H CYS 24 H CYS 24 1.985 5.145 -2.941 165 HA CYS 24 HA CYS 24 3.565 3.361 -1.150 166 1HB CYS 24 2HB CYS 24 2.376 1.970 -2.795 167 2HB CYS 24 1HB CYS 24 3.003 2.965 -4.105 168 H LYS 25 H LYS 25 4.946 5.129 -0.693 169 HA LYS 25 HA LYS 25 6.454 6.188 -3.059 170 1HB LYS 25 2HB LYS 25 5.234 7.914 -1.778 171 2HB LYS 25 1HB LYS 25 6.150 7.480 -0.342 172 1HG LYS 25 2HG LYS 25 7.298 9.349 -1.263 173 2HG LYS 25 1HG LYS 25 8.248 7.948 -1.756 174 1HD LYS 25 2HD LYS 25 8.032 9.204 -3.743 175 2HD LYS 25 1HD LYS 25 6.787 7.963 -3.895 176 1HE LYS 25 2HE LYS 25 5.666 9.967 -4.460 177 2HE LYS 25 1HE LYS 25 5.210 9.682 -2.781 178 1HZ LYS 25 1HZ LYS 25 7.244 11.111 -2.246 179 2HZ LYS 25 2HZ LYS 25 5.848 11.894 -2.812 180 3HZ LYS 25 3HZ LYS 25 7.156 11.619 -3.862 181 H ARG 26 H ARG 26 8.643 6.181 -3.000 182 HA ARG 26 HA ARG 26 10.783 5.363 -2.464 183 1HB ARG 26 2HB ARG 26 10.124 6.834 -0.383 184 2HB ARG 26 1HB ARG 26 9.977 5.275 0.429 185 1HG ARG 26 2HG ARG 26 12.283 4.703 -0.278 186 2HG ARG 26 1HG ARG 26 12.430 6.289 -1.037 187 1HD ARG 26 2HD ARG 26 11.559 6.234 1.812 188 2HD ARG 26 1HD ARG 26 13.245 5.832 1.482 189 HE ARG 26 HE ARG 26 12.398 8.245 0.100 190 1HH1 ARG 26 1HH2 ARG 26 13.551 6.957 3.140 191 2HH1 ARG 26 2HH2 ARG 26 14.217 8.470 3.644 192 1HH2 ARG 26 1HH1 ARG 26 13.274 10.183 0.791 193 2HH2 ARG 26 2HH1 ARG 26 14.064 10.279 2.331 194 H GLY 27 H GLY 27 8.481 3.497 -2.891 195 1HA GLY 27 2HA GLY 27 8.126 1.178 -2.838 196 2HA GLY 27 1HA GLY 27 9.799 1.025 -2.295 197 H SER 28 H SER 28 7.353 2.907 -0.598 198 HA SER 28 HA SER 28 7.141 0.813 1.487 199 1HB SER 28 2HB SER 28 7.538 3.642 2.367 200 2HB SER 28 1HB SER 28 7.947 2.144 3.197 201 HG SER 28 HG SER 28 9.497 3.686 1.680 202 H CYS 29 H CYS 29 5.072 0.611 2.075 203 HA CYS 29 HA CYS 29 2.996 2.236 0.940 204 1HB CYS 29 2HB CYS 29 3.021 0.121 3.101 205 2HB CYS 29 1HB CYS 29 1.539 0.944 2.612 206 H VAL 30 H VAL 30 1.720 3.819 1.883 207 HA VAL 30 HA VAL 30 2.162 4.594 4.690 208 HB VAL 30 HB VAL 30 2.633 6.964 4.054 209 1HG1 VAL 30 1HG1 VAL 30 4.406 5.099 4.487 210 2HG1 VAL 30 2HG1 VAL 30 4.940 6.626 3.783 211 3HG1 VAL 30 3HG1 VAL 30 4.708 5.214 2.753 212 1HG2 VAL 30 1HG2 VAL 30 2.472 5.730 1.327 213 2HG2 VAL 30 2HG2 VAL 30 3.616 7.046 1.587 214 3HG2 VAL 30 3HG2 VAL 30 1.897 7.302 1.880 215 H SER 31 H SER 31 0.566 6.305 5.331 216 HA SER 31 HA SER 31 -1.988 5.868 3.888 217 1HB SER 31 2HB SER 31 -1.653 5.590 6.446 218 2HB SER 31 1HB SER 31 -1.676 7.351 6.492 219 HG SER 31 HG SER 31 -3.767 6.784 6.697 220 H SER 32 H SER 32 0.080 7.705 2.827 221 HA SER 32 HA SER 32 -1.568 9.879 2.035 222 1HB SER 32 2HB SER 32 -0.811 10.301 4.614 223 2HB SER 32 1HB SER 32 0.541 11.049 3.769 224 HG SER 32 HG SER 32 -1.458 12.345 4.221 Start of MODEL 11 1 1H LEU 1 1HT LEU 1 -13.960 -8.652 3.711 2 2H LEU 1 2HT LEU 1 -12.369 -8.226 4.131 3 3H LEU 1 3HT LEU 1 -12.653 -9.274 2.825 4 HA LEU 1 HA LEU 1 -13.994 -7.323 1.848 5 1HB LEU 1 2HB LEU 1 -12.264 -6.043 3.975 6 2HB LEU 1 1HB LEU 1 -12.856 -5.147 2.575 7 HG LEU 1 HG LEU 1 -15.179 -6.211 3.320 8 1HD1 LEU 1 1HD1 LEU 1 -14.741 -7.486 5.189 9 2HD1 LEU 1 2HD1 LEU 1 -15.001 -5.932 5.981 10 3HD1 LEU 1 3HD1 LEU 1 -13.362 -6.499 5.668 11 1HD2 LEU 1 1HD2 LEU 1 -15.418 -4.148 4.869 12 2HD2 LEU 1 2HD2 LEU 1 -14.980 -3.856 3.186 13 3HD2 LEU 1 3HD2 LEU 1 -13.742 -3.804 4.442 14 H LEU 2 H LEU 2 -13.031 -6.905 -0.104 15 HA LEU 2 HA LEU 2 -10.260 -7.829 -0.482 16 1HB LEU 2 2HB LEU 2 -12.471 -8.035 -2.050 17 2HB LEU 2 1HB LEU 2 -11.728 -6.596 -2.749 18 HG LEU 2 HG LEU 2 -9.528 -8.056 -2.633 19 1HD1 LEU 2 1HD1 LEU 2 -11.784 -10.013 -2.333 20 2HD1 LEU 2 2HD1 LEU 2 -10.187 -10.029 -1.585 21 3HD1 LEU 2 3HD1 LEU 2 -10.370 -10.474 -3.281 22 1HD2 LEU 2 1HD2 LEU 2 -10.829 -7.182 -4.664 23 2HD2 LEU 2 2HD2 LEU 2 -11.613 -8.760 -4.710 24 3HD2 LEU 2 3HD2 LEU 2 -9.867 -8.636 -4.924 25 H ALA 3 H ALA 3 -9.191 -6.105 0.703 26 HA ALA 3 HA ALA 3 -8.589 -3.793 -0.992 27 1HB ALA 3 1HB ALA 3 -9.499 -3.133 1.795 28 2HB ALA 3 2HB ALA 3 -10.693 -3.295 0.508 29 3HB ALA 3 3HB ALA 3 -9.414 -2.089 0.376 30 H CYS 4 H CYS 4 -7.056 -5.996 -0.019 31 HA CYS 4 HA CYS 4 -4.750 -4.668 0.966 32 1HB CYS 4 2HB CYS 4 -6.055 -4.537 3.076 33 2HB CYS 4 1HB CYS 4 -6.247 -6.286 3.056 34 H LEU 5 H LEU 5 -3.665 -5.901 -0.542 35 HA LEU 5 HA LEU 5 -3.974 -8.839 -0.521 36 1HB LEU 5 2HB LEU 5 -2.434 -8.742 -2.487 37 2HB LEU 5 1HB LEU 5 -3.894 -7.778 -2.699 38 HG LEU 5 HG LEU 5 -1.695 -6.284 -1.434 39 1HD1 LEU 5 1HD1 LEU 5 -0.217 -7.518 -2.832 40 2HD1 LEU 5 2HD1 LEU 5 -0.537 -6.022 -3.710 41 3HD1 LEU 5 3HD1 LEU 5 -1.359 -7.511 -4.176 42 1HD2 LEU 5 1HD2 LEU 5 -3.307 -4.836 -2.181 43 2HD2 LEU 5 2HD2 LEU 5 -3.840 -5.929 -3.458 44 3HD2 LEU 5 3HD2 LEU 5 -2.401 -4.935 -3.691 45 H PHE 6 H PHE 6 -1.868 -6.485 0.873 46 HA PHE 6 HA PHE 6 0.075 -8.672 1.496 47 1HB PHE 6 2HB PHE 6 0.528 -6.102 0.234 48 2HB PHE 6 1HB PHE 6 1.422 -6.192 1.750 49 HD1 PHE 6 1HD PHE 6 0.558 -8.572 -1.032 50 HD2 PHE 6 2HD PHE 6 3.607 -6.944 1.517 51 HE1 PHE 6 1HE PHE 6 2.243 -10.036 -2.114 52 HE2 PHE 6 2HE PHE 6 5.293 -8.406 0.436 53 HZ PHE 6 HZ PHE 6 4.611 -9.952 -1.380 54 H GLY 7 H GLY 7 -0.096 -5.333 2.721 55 1HA GLY 7 2HA GLY 7 -1.074 -4.714 4.870 56 2HA GLY 7 1HA GLY 7 -0.924 -6.397 5.373 57 H ASN 8 H ASN 8 1.658 -4.725 3.689 58 HA ASN 8 HA ASN 8 3.206 -4.626 6.248 59 1HB ASN 8 2HB ASN 8 3.870 -5.870 3.625 60 2HB ASN 8 1HB ASN 8 5.173 -5.005 4.442 61 1HD2 ASN 8 1HD2 ASN 8 5.461 -5.642 6.855 62 2HD2 ASN 8 2HD2 ASN 8 5.214 -7.272 7.256 63 H GLY 9 H GLY 9 5.435 -3.316 5.475 64 1HA GLY 9 2HA GLY 9 4.359 -0.722 4.468 65 2HA GLY 9 1HA GLY 9 5.763 -0.884 5.523 66 H ARG 10 H ARG 10 5.434 -3.102 2.857 67 HA ARG 10 HA ARG 10 7.478 -1.544 1.326 68 1HB ARG 10 2HB ARG 10 7.374 -4.564 1.598 69 2HB ARG 10 1HB ARG 10 8.615 -3.619 0.775 70 1HG ARG 10 2HG ARG 10 8.683 -2.447 3.220 71 2HG ARG 10 1HG ARG 10 8.206 -4.083 3.678 72 1HD ARG 10 2HD ARG 10 10.123 -4.947 2.286 73 2HD ARG 10 1HD ARG 10 10.646 -3.276 2.073 74 HE ARG 10 HE ARG 10 10.279 -3.991 4.872 75 1HH1 ARG 10 1HH2 ARG 10 12.484 -4.060 2.159 76 2HH1 ARG 10 2HH2 ARG 10 13.884 -4.138 3.171 77 1HH2 ARG 10 1HH1 ARG 10 12.117 -4.092 6.144 78 2HH2 ARG 10 2HH1 ARG 10 13.682 -4.156 5.402 79 H CYS 11 H CYS 11 6.927 -1.241 -0.799 80 HA CYS 11 HA CYS 11 5.085 -3.140 -2.123 81 1HB CYS 11 2HB CYS 11 3.685 -1.156 -2.927 82 2HB CYS 11 1HB CYS 11 3.453 -1.637 -1.252 83 H SER 12 H SER 12 4.605 -2.160 -4.420 84 HA SER 12 HA SER 12 7.102 -0.957 -5.529 85 1HB SER 12 2HB SER 12 5.522 -3.311 -6.585 86 2HB SER 12 1HB SER 12 6.689 -2.424 -7.562 87 HG SER 12 HG SER 12 7.626 -4.234 -6.516 88 H SER 13 H SER 13 3.993 -0.316 -4.942 89 HA SER 13 HA SER 13 3.740 1.781 -6.830 90 1HB SER 13 2HB SER 13 3.362 0.249 -8.584 91 2HB SER 13 1HB SER 13 2.439 -0.843 -7.558 92 HG SER 13 HG SER 13 0.730 0.223 -8.133 93 H ASN 14 H ASN 14 1.514 2.773 -6.647 94 HA ASN 14 HA ASN 14 0.654 2.893 -3.946 95 1HB ASN 14 2HB ASN 14 -0.501 3.813 -6.555 96 2HB ASN 14 1HB ASN 14 -1.482 3.918 -5.093 97 1HD2 ASN 14 1HD2 ASN 14 -1.366 6.245 -4.911 98 2HD2 ASN 14 2HD2 ASN 14 0.084 7.054 -4.557 99 H ARG 15 H ARG 15 -0.692 1.076 -6.701 100 HA ARG 15 HA ARG 15 -2.923 0.032 -5.194 101 1HB ARG 15 2HB ARG 15 -1.921 -0.127 -7.893 102 2HB ARG 15 1HB ARG 15 -2.383 -1.731 -7.328 103 1HG ARG 15 2HG ARG 15 -4.219 0.599 -6.847 104 2HG ARG 15 1HG ARG 15 -4.196 -0.183 -8.428 105 1HD ARG 15 2HD ARG 15 -4.880 -2.266 -7.538 106 2HD ARG 15 1HD ARG 15 -4.467 -1.792 -5.890 107 HE ARG 15 HE ARG 15 -6.566 -0.733 -5.718 108 1HH1 ARG 15 1HH2 ARG 15 -5.817 -1.395 -9.070 109 2HH1 ARG 15 2HH2 ARG 15 -7.389 -0.927 -9.617 110 1HH2 ARG 15 1HH1 ARG 15 -8.585 -0.137 -6.470 111 2HH2 ARG 15 2HH1 ARG 15 -8.941 -0.223 -8.163 112 H ASP 16 H ASP 16 0.361 -0.724 -5.076 113 HA ASP 16 HA ASP 16 0.032 -3.572 -4.482 114 1HB ASP 16 2HB ASP 16 2.236 -1.684 -4.892 115 2HB ASP 16 1HB ASP 16 2.544 -2.803 -3.564 116 H CYS 17 H CYS 17 -0.712 -0.816 -2.746 117 HA CYS 17 HA CYS 17 0.173 -1.948 -0.144 118 1HB CYS 17 2HB CYS 17 -0.986 0.745 -0.903 119 2HB CYS 17 1HB CYS 17 -0.625 0.261 0.753 120 H CYS 18 H CYS 18 -1.645 -1.353 1.642 121 HA CYS 18 HA CYS 18 -4.044 -2.836 0.776 122 1HB CYS 18 2HB CYS 18 -2.787 -2.172 3.434 123 2HB CYS 18 1HB CYS 18 -4.399 -2.846 3.315 124 H GLU 19 H GLU 19 -5.977 -2.005 2.436 125 HA GLU 19 HA GLU 19 -6.871 0.473 1.336 126 1HB GLU 19 2HB GLU 19 -8.078 -1.580 2.633 127 2HB GLU 19 1HB GLU 19 -8.014 -0.391 3.931 128 1HG GLU 19 2HG GLU 19 -9.112 1.269 2.478 129 2HG GLU 19 1HG GLU 19 -9.164 0.092 1.166 130 H LEU 20 H LEU 20 -5.627 -0.356 4.549 131 HA LEU 20 HA LEU 20 -5.776 2.242 5.692 132 1HB LEU 20 2HB LEU 20 -3.985 1.412 7.248 133 2HB LEU 20 1HB LEU 20 -5.365 0.327 7.104 134 HG LEU 20 HG LEU 20 -3.663 -0.498 5.045 135 1HD1 LEU 20 1HD1 LEU 20 -2.077 0.176 7.539 136 2HD1 LEU 20 2HD1 LEU 20 -1.820 0.824 5.920 137 3HD1 LEU 20 3HD1 LEU 20 -1.501 -0.879 6.249 138 1HD2 LEU 20 1HD2 LEU 20 -3.460 -2.515 6.335 139 2HD2 LEU 20 2HD2 LEU 20 -5.048 -1.841 6.706 140 3HD2 LEU 20 3HD2 LEU 20 -3.718 -1.646 7.848 141 H THR 21 H THR 21 -3.631 0.993 3.291 142 HA THR 21 HA THR 21 -2.032 3.509 3.454 143 HB THR 21 HB THR 21 -0.215 1.929 2.351 144 HG1 THR 21 1HG THR 21 -0.447 -0.152 2.834 145 1HG2 THR 21 1HG2 THR 21 0.550 2.833 4.307 146 2HG2 THR 21 2HG2 THR 21 0.262 1.200 4.909 147 3HG2 THR 21 3HG2 THR 21 -0.938 2.464 5.179 148 HA PRO 22 HA PRO 22 -3.722 3.209 -0.781 149 1HB PRO 22 2HB PRO 22 -4.501 5.817 -0.947 150 2HB PRO 22 1HB PRO 22 -5.473 4.559 -0.172 151 1HG PRO 22 2HG PRO 22 -4.064 6.805 1.048 152 2HG PRO 22 1HG PRO 22 -5.301 5.748 1.742 153 1HD PRO 22 2HD PRO 22 -2.409 5.634 2.093 154 2HD PRO 22 1HD PRO 22 -3.667 4.705 2.939 155 H VAL 23 H VAL 23 -0.934 4.502 0.429 156 HA VAL 23 HA VAL 23 -0.153 5.554 -2.262 157 HB VAL 23 HB VAL 23 0.819 6.622 0.405 158 1HG1 VAL 23 1HG1 VAL 23 1.765 8.429 -1.040 159 2HG1 VAL 23 2HG1 VAL 23 1.250 7.521 -2.462 160 3HG1 VAL 23 3HG1 VAL 23 2.472 6.850 -1.381 161 1HG2 VAL 23 1HG2 VAL 23 -1.546 7.195 -0.021 162 2HG2 VAL 23 2HG2 VAL 23 -1.098 7.833 -1.603 163 3HG2 VAL 23 3HG2 VAL 23 -0.509 8.616 -0.137 164 H CYS 24 H CYS 24 2.045 5.228 -2.817 165 HA CYS 24 HA CYS 24 3.598 3.367 -1.098 166 1HB CYS 24 2HB CYS 24 2.359 1.967 -2.697 167 2HB CYS 24 1HB CYS 24 2.956 2.947 -4.031 168 H LYS 25 H LYS 25 4.999 5.143 -0.703 169 HA LYS 25 HA LYS 25 6.457 6.151 -3.120 170 1HB LYS 25 2HB LYS 25 5.287 7.903 -1.824 171 2HB LYS 25 1HB LYS 25 6.245 7.479 -0.411 172 1HG LYS 25 2HG LYS 25 8.310 7.980 -1.729 173 2HG LYS 25 1HG LYS 25 7.286 8.520 -3.060 174 1HD LYS 25 2HD LYS 25 6.868 9.686 -0.327 175 2HD LYS 25 1HD LYS 25 8.200 10.276 -1.322 176 1HE LYS 25 2HE LYS 25 5.481 10.027 -2.555 177 2HE LYS 25 1HE LYS 25 5.809 11.396 -1.494 178 1HZ LYS 25 1HZ LYS 25 7.464 10.626 -3.836 179 2HZ LYS 25 2HZ LYS 25 7.691 11.988 -2.847 180 3HZ LYS 25 3HZ LYS 25 6.313 11.870 -3.832 181 H ARG 26 H ARG 26 8.648 6.146 -3.115 182 HA ARG 26 HA ARG 26 10.793 5.316 -2.636 183 1HB ARG 26 2HB ARG 26 10.180 6.804 -0.545 184 2HB ARG 26 1HB ARG 26 10.087 5.247 0.279 185 1HG ARG 26 2HG ARG 26 12.350 4.737 -0.177 186 2HG ARG 26 1HG ARG 26 12.463 5.978 -1.427 187 1HD ARG 26 2HD ARG 26 12.660 7.703 0.108 188 2HD ARG 26 1HD ARG 26 11.780 6.828 1.360 189 HE ARG 26 HE ARG 26 13.829 5.943 2.086 190 1HH1 ARG 26 1HH2 ARG 26 14.129 7.062 -1.215 191 2HH1 ARG 26 2HH2 ARG 26 15.828 6.751 -1.272 192 1HH2 ARG 26 1HH1 ARG 26 16.030 5.557 1.968 193 2HH2 ARG 26 2HH1 ARG 26 16.896 5.909 0.510 194 H GLY 27 H GLY 27 8.474 3.458 -2.981 195 1HA GLY 27 2HA GLY 27 8.128 1.139 -2.921 196 2HA GLY 27 1HA GLY 27 9.803 0.988 -2.383 197 H SER 28 H SER 28 7.369 2.885 -0.683 198 HA SER 28 HA SER 28 7.151 0.793 1.404 199 1HB SER 28 2HB SER 28 7.983 3.665 1.914 200 2HB SER 28 1HB SER 28 7.592 2.488 3.165 201 HG SER 28 HG SER 28 9.761 2.357 2.921 202 H CYS 29 H CYS 29 5.067 0.595 1.961 203 HA CYS 29 HA CYS 29 3.003 2.250 0.870 204 1HB CYS 29 2HB CYS 29 3.016 0.196 3.094 205 2HB CYS 29 1HB CYS 29 1.546 1.020 2.578 206 H VAL 30 H VAL 30 1.794 3.900 1.807 207 HA VAL 30 HA VAL 30 2.325 4.704 4.590 208 HB VAL 30 HB VAL 30 2.853 7.050 3.904 209 1HG1 VAL 30 1HG1 VAL 30 5.168 6.623 3.423 210 2HG1 VAL 30 2HG1 VAL 30 4.792 5.061 2.698 211 3HG1 VAL 30 3HG1 VAL 30 4.607 5.294 4.436 212 1HG2 VAL 30 1HG2 VAL 30 3.804 7.042 1.417 213 2HG2 VAL 30 2HG2 VAL 30 2.103 7.383 1.736 214 3HG2 VAL 30 3HG2 VAL 30 2.596 5.775 1.206 215 H SER 31 H SER 31 0.790 6.379 5.301 216 HA SER 31 HA SER 31 -1.805 6.085 3.909 217 1HB SER 31 2HB SER 31 -0.996 7.075 6.646 218 2HB SER 31 1HB SER 31 -2.632 7.280 6.028 219 HG SER 31 HG SER 31 -1.685 5.184 7.214 220 H SER 32 H SER 32 -0.084 7.667 2.452 221 HA SER 32 HA SER 32 0.044 9.762 1.409 222 1HB SER 32 2HB SER 32 -2.557 9.380 1.705 223 2HB SER 32 1HB SER 32 -2.400 10.672 2.892 224 HG SER 32 HG SER 32 -1.666 10.721 0.149 Start of MODEL 12 1 1H LEU 1 1HT LEU 1 -16.104 -6.757 -3.784 2 2H LEU 1 2HT LEU 1 -15.671 -6.290 -5.359 3 3H LEU 1 3HT LEU 1 -15.499 -5.198 -4.069 4 HA LEU 1 HA LEU 1 -14.067 -7.764 -3.975 5 1HB LEU 1 2HB LEU 1 -13.336 -5.325 -5.608 6 2HB LEU 1 1HB LEU 1 -12.133 -6.494 -5.064 7 HG LEU 1 HG LEU 1 -14.565 -7.574 -6.410 8 1HD1 LEU 1 1HD1 LEU 1 -12.566 -5.765 -7.679 9 2HD1 LEU 1 2HD1 LEU 1 -14.249 -6.067 -8.116 10 3HD1 LEU 1 3HD1 LEU 1 -12.998 -7.224 -8.571 11 1HD2 LEU 1 1HD2 LEU 1 -13.175 -9.360 -6.849 12 2HD2 LEU 1 2HD2 LEU 1 -12.332 -8.712 -5.441 13 3HD2 LEU 1 3HD2 LEU 1 -11.754 -8.336 -7.064 14 H LEU 2 H LEU 2 -11.697 -6.873 -3.163 15 HA LEU 2 HA LEU 2 -12.297 -5.048 -0.873 16 1HB LEU 2 2HB LEU 2 -11.600 -7.684 -0.672 17 2HB LEU 2 1HB LEU 2 -10.012 -6.919 -0.626 18 HG LEU 2 HG LEU 2 -11.146 -5.298 1.101 19 1HD1 LEU 2 1HD1 LEU 2 -13.398 -6.537 0.554 20 2HD1 LEU 2 2HD1 LEU 2 -13.043 -6.084 2.221 21 3HD1 LEU 2 3HD1 LEU 2 -12.792 -7.745 1.686 22 1HD2 LEU 2 1HD2 LEU 2 -10.573 -8.172 1.889 23 2HD2 LEU 2 2HD2 LEU 2 -10.404 -6.740 2.905 24 3HD2 LEU 2 3HD2 LEU 2 -9.320 -6.981 1.535 25 H ALA 3 H ALA 3 -9.589 -4.800 -0.050 26 HA ALA 3 HA ALA 3 -7.951 -3.944 -2.304 27 1HB ALA 3 1HB ALA 3 -9.166 -1.960 -2.405 28 2HB ALA 3 2HB ALA 3 -7.916 -1.522 -1.241 29 3HB ALA 3 3HB ALA 3 -9.526 -1.973 -0.679 30 H CYS 4 H CYS 4 -6.897 -5.671 -0.823 31 HA CYS 4 HA CYS 4 -4.764 -4.462 0.636 32 1HB CYS 4 2HB CYS 4 -6.525 -4.047 2.321 33 2HB CYS 4 1HB CYS 4 -6.910 -5.763 2.341 34 H LEU 5 H LEU 5 -3.532 -5.921 -0.576 35 HA LEU 5 HA LEU 5 -3.826 -8.794 0.209 36 1HB LEU 5 2HB LEU 5 -2.924 -9.356 -2.059 37 2HB LEU 5 1HB LEU 5 -4.494 -8.555 -2.122 38 HG LEU 5 HG LEU 5 -2.110 -6.779 -2.171 39 1HD1 LEU 5 1HD1 LEU 5 -2.946 -8.419 -4.583 40 2HD1 LEU 5 2HD1 LEU 5 -1.458 -8.663 -3.670 41 3HD1 LEU 5 3HD1 LEU 5 -1.713 -7.159 -4.554 42 1HD2 LEU 5 1HD2 LEU 5 -4.037 -5.550 -2.472 43 2HD2 LEU 5 2HD2 LEU 5 -4.900 -6.892 -3.224 44 3HD2 LEU 5 3HD2 LEU 5 -3.727 -5.964 -4.157 45 H PHE 6 H PHE 6 -2.152 -6.573 1.333 46 HA PHE 6 HA PHE 6 0.513 -7.853 0.878 47 1HB PHE 6 2HB PHE 6 -0.312 -5.063 0.580 48 2HB PHE 6 1HB PHE 6 1.032 -5.234 1.707 49 HD1 PHE 6 1HD PHE 6 -0.072 -6.625 -1.606 50 HD2 PHE 6 2HD PHE 6 3.180 -5.199 0.811 51 HE1 PHE 6 1HE PHE 6 1.485 -6.943 -3.512 52 HE2 PHE 6 2HE PHE 6 4.735 -5.517 -1.094 53 HZ PHE 6 HZ PHE 6 3.887 -6.389 -3.255 54 H GLY 7 H GLY 7 -0.599 -5.316 3.126 55 1HA GLY 7 2HA GLY 7 -0.874 -5.422 5.479 56 2HA GLY 7 1HA GLY 7 -0.540 -7.152 5.410 57 H ASN 8 H ASN 8 1.582 -4.783 3.929 58 HA ASN 8 HA ASN 8 3.509 -5.032 6.182 59 1HB ASN 8 2HB ASN 8 3.782 -6.687 4.061 60 2HB ASN 8 1HB ASN 8 4.646 -5.279 3.443 61 1HD2 ASN 8 1HD2 ASN 8 4.469 -7.280 6.448 62 2HD2 ASN 8 2HD2 ASN 8 6.127 -7.165 6.793 63 H GLY 9 H GLY 9 5.593 -3.618 5.323 64 1HA GLY 9 2HA GLY 9 4.397 -1.010 4.486 65 2HA GLY 9 1HA GLY 9 5.820 -1.162 5.515 66 H ARG 10 H ARG 10 5.567 -3.309 2.797 67 HA ARG 10 HA ARG 10 7.537 -1.626 1.301 68 1HB ARG 10 2HB ARG 10 7.485 -4.657 1.409 69 2HB ARG 10 1HB ARG 10 8.707 -3.646 0.640 70 1HG ARG 10 2HG ARG 10 8.757 -2.623 3.157 71 2HG ARG 10 1HG ARG 10 8.322 -4.295 3.509 72 1HD ARG 10 2HD ARG 10 10.566 -4.663 3.401 73 2HD ARG 10 1HD ARG 10 10.311 -4.641 1.656 74 HE ARG 10 HE ARG 10 11.438 -2.578 1.576 75 1HH1 ARG 10 1HH2 ARG 10 10.405 -3.252 4.850 76 2HH1 ARG 10 2HH2 ARG 10 11.242 -1.886 5.502 77 1HH2 ARG 10 1HH1 ARG 10 12.505 -0.822 2.463 78 2HH2 ARG 10 2HH1 ARG 10 12.419 -0.525 4.167 79 H CYS 11 H CYS 11 6.958 -1.229 -0.803 80 HA CYS 11 HA CYS 11 5.113 -3.083 -2.188 81 1HB CYS 11 2HB CYS 11 3.673 -1.095 -2.869 82 2HB CYS 11 1HB CYS 11 3.494 -1.626 -1.204 83 H SER 12 H SER 12 4.574 -1.965 -4.423 84 HA SER 12 HA SER 12 7.015 -0.643 -5.507 85 1HB SER 12 2HB SER 12 7.263 -2.959 -6.130 86 2HB SER 12 1HB SER 12 5.578 -3.060 -6.634 87 HG SER 12 HG SER 12 6.980 -2.762 -8.411 88 H SER 13 H SER 13 3.903 -0.150 -4.896 89 HA SER 13 HA SER 13 3.522 1.929 -6.780 90 1HB SER 13 2HB SER 13 3.223 0.345 -8.523 91 2HB SER 13 1HB SER 13 2.302 -0.743 -7.488 92 HG SER 13 HG SER 13 0.800 0.313 -8.678 93 H ASN 14 H ASN 14 1.184 2.735 -6.647 94 HA ASN 14 HA ASN 14 0.340 2.884 -3.938 95 1HB ASN 14 2HB ASN 14 -1.167 3.460 -6.495 96 2HB ASN 14 1HB ASN 14 -1.756 3.886 -4.889 97 1HD2 ASN 14 1HD2 ASN 14 -1.126 5.856 -6.934 98 2HD2 ASN 14 2HD2 ASN 14 0.179 6.781 -6.367 99 H ARG 15 H ARG 15 -0.854 0.865 -6.617 100 HA ARG 15 HA ARG 15 -2.996 -0.296 -5.073 101 1HB ARG 15 2HB ARG 15 -2.119 -0.362 -7.758 102 2HB ARG 15 1HB ARG 15 -2.148 -2.034 -7.204 103 1HG ARG 15 2HG ARG 15 -4.357 -1.875 -7.790 104 2HG ARG 15 1HG ARG 15 -4.495 -1.188 -6.170 105 1HD ARG 15 2HD ARG 15 -4.786 0.952 -6.953 106 2HD ARG 15 1HD ARG 15 -3.758 0.688 -8.362 107 HE ARG 15 HE ARG 15 -5.687 0.100 -9.561 108 1HH1 ARG 15 1HH2 ARG 15 -6.273 -0.278 -6.134 109 2HH1 ARG 15 2HH2 ARG 15 -7.937 -0.686 -6.361 110 1HH2 ARG 15 1HH1 ARG 15 -7.847 -0.431 -9.809 111 2HH2 ARG 15 2HH1 ARG 15 -8.821 -0.771 -8.418 112 H ASP 16 H ASP 16 0.357 -0.837 -5.036 113 HA ASP 16 HA ASP 16 0.243 -3.654 -4.296 114 1HB ASP 16 2HB ASP 16 2.302 -1.591 -4.713 115 2HB ASP 16 1HB ASP 16 2.681 -2.722 -3.417 116 H CYS 17 H CYS 17 -0.686 -0.882 -2.651 117 HA CYS 17 HA CYS 17 0.218 -1.919 -0.013 118 1HB CYS 17 2HB CYS 17 -0.957 0.743 -0.851 119 2HB CYS 17 1HB CYS 17 -0.609 0.302 0.820 120 H CYS 18 H CYS 18 -1.669 -1.150 1.706 121 HA CYS 18 HA CYS 18 -4.055 -2.689 0.849 122 1HB CYS 18 2HB CYS 18 -2.629 -2.222 3.417 123 2HB CYS 18 1HB CYS 18 -4.353 -2.504 3.489 124 H GLU 19 H GLU 19 -5.974 -1.844 2.526 125 HA GLU 19 HA GLU 19 -6.845 0.642 1.434 126 1HB GLU 19 2HB GLU 19 -8.064 -1.393 2.744 127 2HB GLU 19 1HB GLU 19 -7.977 -0.203 4.039 128 1HG GLU 19 2HG GLU 19 -8.902 0.716 1.346 129 2HG GLU 19 1HG GLU 19 -10.022 -0.220 2.337 130 H LEU 20 H LEU 20 -5.567 -0.182 4.634 131 HA LEU 20 HA LEU 20 -5.720 2.399 5.797 132 1HB LEU 20 2HB LEU 20 -3.931 1.610 7.332 133 2HB LEU 20 1HB LEU 20 -5.218 0.421 7.140 134 HG LEU 20 HG LEU 20 -3.078 0.136 5.140 135 1HD1 LEU 20 1HD1 LEU 20 -1.358 -0.666 6.613 136 2HD1 LEU 20 2HD1 LEU 20 -2.405 -0.502 8.023 137 3HD1 LEU 20 3HD1 LEU 20 -1.816 0.937 7.190 138 1HD2 LEU 20 1HD2 LEU 20 -3.733 -2.004 7.096 139 2HD2 LEU 20 2HD2 LEU 20 -3.640 -2.078 5.336 140 3HD2 LEU 20 3HD2 LEU 20 -5.079 -1.421 6.116 141 H THR 21 H THR 21 -3.584 1.194 3.359 142 HA THR 21 HA THR 21 -2.095 3.779 3.441 143 HB THR 21 HB THR 21 -0.080 2.450 2.648 144 HG1 THR 21 1HG THR 21 -1.608 0.285 3.653 145 1HG2 THR 21 1HG2 THR 21 0.240 3.045 4.838 146 2HG2 THR 21 2HG2 THR 21 0.075 1.306 5.081 147 3HG2 THR 21 3HG2 THR 21 -1.304 2.370 5.357 148 HA PRO 22 HA PRO 22 -3.664 3.165 -0.808 149 1HB PRO 22 2HB PRO 22 -4.531 5.730 -1.147 150 2HB PRO 22 1HB PRO 22 -5.480 4.482 -0.326 151 1HG PRO 22 2HG PRO 22 -4.178 6.844 0.796 152 2HG PRO 22 1HG PRO 22 -5.407 5.795 1.514 153 1HD PRO 22 2HD PRO 22 -2.535 5.796 1.976 154 2HD PRO 22 1HD PRO 22 -3.791 4.859 2.817 155 H VAL 23 H VAL 23 -0.940 4.564 0.378 156 HA VAL 23 HA VAL 23 -0.136 5.536 -2.336 157 HB VAL 23 HB VAL 23 0.754 6.738 0.303 158 1HG1 VAL 23 1HG1 VAL 23 1.579 8.548 -1.309 159 2HG1 VAL 23 2HG1 VAL 23 1.303 7.380 -2.602 160 3HG1 VAL 23 3HG1 VAL 23 2.473 7.029 -1.330 161 1HG2 VAL 23 1HG2 VAL 23 -1.490 7.343 -1.543 162 2HG2 VAL 23 2HG2 VAL 23 -0.556 8.727 -0.974 163 3HG2 VAL 23 3HG2 VAL 23 -1.338 7.653 0.187 164 H CYS 24 H CYS 24 2.017 5.153 -2.891 165 HA CYS 24 HA CYS 24 3.569 3.385 -1.061 166 1HB CYS 24 2HB CYS 24 2.425 1.965 -2.711 167 2HB CYS 24 1HB CYS 24 3.060 2.952 -4.024 168 H LYS 25 H LYS 25 4.931 5.163 -0.594 169 HA LYS 25 HA LYS 25 6.418 6.287 -2.941 170 1HB LYS 25 2HB LYS 25 5.246 7.936 -1.515 171 2HB LYS 25 1HB LYS 25 6.230 7.430 -0.149 172 1HG LYS 25 2HG LYS 25 8.247 7.952 -1.697 173 2HG LYS 25 1HG LYS 25 7.081 8.854 -2.664 174 1HD LYS 25 2HD LYS 25 7.531 9.285 0.302 175 2HD LYS 25 1HD LYS 25 8.253 10.274 -0.967 176 1HE LYS 25 2HE LYS 25 6.129 11.068 -1.699 177 2HE LYS 25 1HE LYS 25 5.268 9.846 -0.763 178 1HZ LYS 25 1HZ LYS 25 5.280 12.088 0.261 179 2HZ LYS 25 2HZ LYS 25 6.965 11.965 0.438 180 3HZ LYS 25 3HZ LYS 25 5.939 10.884 1.256 181 H ARG 26 H ARG 26 8.591 6.213 -2.984 182 HA ARG 26 HA ARG 26 10.737 5.337 -2.580 183 1HB ARG 26 2HB ARG 26 10.226 6.818 -0.470 184 2HB ARG 26 1HB ARG 26 10.089 5.265 0.353 185 1HG ARG 26 2HG ARG 26 12.374 4.799 -0.953 186 2HG ARG 26 1HG ARG 26 12.487 6.558 -0.866 187 1HD ARG 26 2HD ARG 26 11.774 6.104 1.669 188 2HD ARG 26 1HD ARG 26 12.530 4.544 1.338 189 HE ARG 26 HE ARG 26 14.622 5.625 1.295 190 1HH1 ARG 26 1HH2 ARG 26 12.047 7.971 0.983 191 2HH1 ARG 26 2HH2 ARG 26 13.123 9.318 1.104 192 1HH2 ARG 26 1HH1 ARG 26 15.979 7.398 1.445 193 2HH2 ARG 26 2HH1 ARG 26 15.326 9.000 1.363 194 H GLY 27 H GLY 27 8.401 3.500 -2.886 195 1HA GLY 27 2HA GLY 27 8.040 1.181 -2.829 196 2HA GLY 27 1HA GLY 27 9.724 1.015 -2.326 197 H SER 28 H SER 28 7.303 2.907 -0.596 198 HA SER 28 HA SER 28 7.146 0.832 1.515 199 1HB SER 28 2HB SER 28 8.005 3.710 1.918 200 2HB SER 28 1HB SER 28 7.510 2.646 3.231 201 HG SER 28 HG SER 28 9.659 2.361 3.118 202 H CYS 29 H CYS 29 5.072 0.601 2.088 203 HA CYS 29 HA CYS 29 2.982 2.223 0.988 204 1HB CYS 29 2HB CYS 29 3.030 0.125 3.166 205 2HB CYS 29 1HB CYS 29 1.543 0.937 2.676 206 H VAL 30 H VAL 30 1.777 3.858 1.892 207 HA VAL 30 HA VAL 30 2.177 4.628 4.706 208 HB VAL 30 HB VAL 30 2.646 7.029 3.982 209 1HG1 VAL 30 1HG1 VAL 30 4.867 5.176 3.144 210 2HG1 VAL 30 2HG1 VAL 30 4.325 5.226 4.820 211 3HG1 VAL 30 3HG1 VAL 30 4.968 6.680 4.059 212 1HG2 VAL 30 1HG2 VAL 30 2.187 5.985 1.436 213 2HG2 VAL 30 2HG2 VAL 30 3.941 6.157 1.499 214 3HG2 VAL 30 3HG2 VAL 30 2.906 7.555 1.794 215 H SER 31 H SER 31 0.622 6.365 5.323 216 HA SER 31 HA SER 31 -1.913 6.023 3.830 217 1HB SER 31 2HB SER 31 -2.956 7.000 5.836 218 2HB SER 31 1HB SER 31 -1.913 5.650 6.272 219 HG SER 31 HG SER 31 -1.342 7.269 7.627 220 H SER 32 H SER 32 -0.037 7.631 2.493 221 HA SER 32 HA SER 32 -1.535 9.986 1.940 222 1HB SER 32 2HB SER 32 -0.822 10.836 4.090 223 2HB SER 32 1HB SER 32 0.847 10.368 3.777 224 HG SER 32 HG SER 32 0.547 12.569 3.347 Start of MODEL 13 1 1H LEU 1 1HT LEU 1 -13.227 -8.153 -3.354 2 2H LEU 1 2HT LEU 1 -14.491 -7.646 -2.337 3 3H LEU 1 3HT LEU 1 -13.264 -8.654 -1.734 4 HA LEU 1 HA LEU 1 -13.175 -5.783 -2.360 5 1HB LEU 1 2HB LEU 1 -12.574 -7.606 -0.065 6 2HB LEU 1 1HB LEU 1 -11.657 -6.105 -0.197 7 HG LEU 1 HG LEU 1 -14.084 -5.089 -0.630 8 1HD1 LEU 1 1HD1 LEU 1 -15.548 -6.373 1.151 9 2HD1 LEU 1 2HD1 LEU 1 -14.517 -7.736 0.716 10 3HD1 LEU 1 3HD1 LEU 1 -15.493 -6.940 -0.517 11 1HD2 LEU 1 1HD2 LEU 1 -13.155 -5.866 2.151 12 2HD2 LEU 1 2HD2 LEU 1 -14.140 -4.471 1.715 13 3HD2 LEU 1 3HD2 LEU 1 -12.451 -4.548 1.213 14 H LEU 2 H LEU 2 -11.539 -5.085 -3.632 15 HA LEU 2 HA LEU 2 -9.006 -6.682 -3.675 16 1HB LEU 2 2HB LEU 2 -10.624 -6.522 -5.801 17 2HB LEU 2 1HB LEU 2 -9.763 -4.999 -6.025 18 HG LEU 2 HG LEU 2 -7.622 -6.446 -5.613 19 1HD1 LEU 2 1HD1 LEU 2 -9.458 -8.588 -6.701 20 2HD1 LEU 2 2HD1 LEU 2 -9.107 -8.444 -4.979 21 3HD1 LEU 2 3HD1 LEU 2 -7.802 -8.765 -6.121 22 1HD2 LEU 2 1HD2 LEU 2 -9.215 -6.797 -8.173 23 2HD2 LEU 2 2HD2 LEU 2 -7.460 -6.871 -8.009 24 3HD2 LEU 2 3HD2 LEU 2 -8.306 -5.343 -7.760 25 H ALA 3 H ALA 3 -8.331 -5.195 -1.922 26 HA ALA 3 HA ALA 3 -6.906 -2.893 -2.988 27 1HB ALA 3 1HB ALA 3 -8.873 -2.224 -0.811 28 2HB ALA 3 2HB ALA 3 -9.375 -2.165 -2.502 29 3HB ALA 3 3HB ALA 3 -8.055 -1.140 -1.937 30 H CYS 4 H CYS 4 -6.392 -5.383 -1.485 31 HA CYS 4 HA CYS 4 -4.436 -4.420 0.340 32 1HB CYS 4 2HB CYS 4 -6.407 -3.838 1.730 33 2HB CYS 4 1HB CYS 4 -6.938 -5.514 1.663 34 H LEU 5 H LEU 5 -3.164 -5.971 -0.639 35 HA LEU 5 HA LEU 5 -3.840 -8.805 0.031 36 1HB LEU 5 2HB LEU 5 -2.682 -9.446 -2.100 37 2HB LEU 5 1HB LEU 5 -4.158 -8.518 -2.366 38 HG LEU 5 HG LEU 5 -1.652 -6.944 -2.070 39 1HD1 LEU 5 1HD1 LEU 5 -2.276 -8.400 -4.652 40 2HD1 LEU 5 2HD1 LEU 5 -1.051 -8.949 -3.507 41 3HD1 LEU 5 3HD1 LEU 5 -0.877 -7.384 -4.302 42 1HD2 LEU 5 1HD2 LEU 5 -4.250 -6.841 -3.559 43 2HD2 LEU 5 2HD2 LEU 5 -2.879 -5.946 -4.211 44 3HD2 LEU 5 3HD2 LEU 5 -3.470 -5.595 -2.586 45 H PHE 6 H PHE 6 -2.105 -6.673 1.333 46 HA PHE 6 HA PHE 6 0.377 -8.321 1.416 47 1HB PHE 6 2HB PHE 6 0.122 -5.663 0.347 48 2HB PHE 6 1HB PHE 6 1.110 -5.590 1.802 49 HD1 PHE 6 1HD PHE 6 1.040 -6.432 -1.681 50 HD2 PHE 6 2HD PHE 6 3.039 -7.304 2.021 51 HE1 PHE 6 1HE PHE 6 2.960 -7.371 -2.937 52 HE2 PHE 6 2HE PHE 6 4.958 -8.243 0.763 53 HZ PHE 6 HZ PHE 6 4.919 -8.276 -1.716 54 H GLY 7 H GLY 7 -0.472 -5.226 2.966 55 1HA GLY 7 2HA GLY 7 -1.126 -4.857 5.237 56 2HA GLY 7 1HA GLY 7 -0.897 -6.578 5.556 57 H ASN 8 H ASN 8 1.536 -4.680 3.886 58 HA ASN 8 HA ASN 8 3.219 -4.706 6.358 59 1HB ASN 8 2HB ASN 8 3.639 -6.436 4.305 60 2HB ASN 8 1HB ASN 8 4.603 -5.064 3.756 61 1HD2 ASN 8 1HD2 ASN 8 4.099 -7.135 6.660 62 2HD2 ASN 8 2HD2 ASN 8 5.698 -7.000 7.217 63 H GLY 9 H GLY 9 5.467 -3.452 5.262 64 1HA GLY 9 2HA GLY 9 4.339 -0.810 4.426 65 2HA GLY 9 1HA GLY 9 5.737 -0.968 5.490 66 H ARG 10 H ARG 10 5.449 -3.166 2.805 67 HA ARG 10 HA ARG 10 7.490 -1.579 1.298 68 1HB ARG 10 2HB ARG 10 7.408 -4.601 1.562 69 2HB ARG 10 1HB ARG 10 8.644 -3.647 0.739 70 1HG ARG 10 2HG ARG 10 8.708 -2.471 3.177 71 2HG ARG 10 1HG ARG 10 8.228 -4.102 3.645 72 1HD ARG 10 2HD ARG 10 10.413 -3.961 1.652 73 2HD ARG 10 1HD ARG 10 10.817 -3.342 3.252 74 HE ARG 10 HE ARG 10 10.306 -6.131 2.569 75 1HH1 ARG 10 1HH2 ARG 10 10.241 -3.734 5.117 76 2HH1 ARG 10 2HH2 ARG 10 10.392 -4.917 6.369 77 1HH2 ARG 10 1HH1 ARG 10 10.497 -7.626 4.221 78 2HH2 ARG 10 2HH1 ARG 10 10.534 -7.096 5.870 79 H CYS 11 H CYS 11 6.945 -1.264 -0.831 80 HA CYS 11 HA CYS 11 5.117 -3.172 -2.168 81 1HB CYS 11 2HB CYS 11 3.692 -1.208 -2.952 82 2HB CYS 11 1HB CYS 11 3.486 -1.677 -1.270 83 H SER 12 H SER 12 4.611 -2.161 -4.452 84 HA SER 12 HA SER 12 7.078 -0.911 -5.570 85 1HB SER 12 2HB SER 12 5.676 -3.423 -6.436 86 2HB SER 12 1HB SER 12 6.514 -2.436 -7.630 87 HG SER 12 HG SER 12 7.697 -4.188 -6.386 88 H SER 13 H SER 13 3.959 -0.355 -4.989 89 HA SER 13 HA SER 13 3.640 1.686 -6.935 90 1HB SER 13 2HB SER 13 3.266 0.087 -8.627 91 2HB SER 13 1HB SER 13 2.384 -0.987 -7.547 92 HG SER 13 HG SER 13 1.558 1.547 -8.542 93 H ASN 14 H ASN 14 1.396 2.639 -6.752 94 HA ASN 14 HA ASN 14 0.576 2.856 -4.049 95 1HB ASN 14 2HB ASN 14 -0.966 3.465 -6.580 96 2HB ASN 14 1HB ASN 14 -1.443 3.992 -4.968 97 1HD2 ASN 14 1HD2 ASN 14 -0.852 5.904 -7.000 98 2HD2 ASN 14 2HD2 ASN 14 0.578 6.719 -6.581 99 H ARG 15 H ARG 15 -0.825 0.914 -6.696 100 HA ARG 15 HA ARG 15 -2.978 -0.118 -5.081 101 1HB ARG 15 2HB ARG 15 -2.030 -0.395 -7.799 102 2HB ARG 15 1HB ARG 15 -2.499 -1.961 -7.146 103 1HG ARG 15 2HG ARG 15 -4.586 -0.516 -6.270 104 2HG ARG 15 1HG ARG 15 -4.169 0.447 -7.688 105 1HD ARG 15 2HD ARG 15 -4.524 -1.352 -9.167 106 2HD ARG 15 1HD ARG 15 -4.409 -2.551 -7.879 107 HE ARG 15 HE ARG 15 -6.635 -0.781 -7.412 108 1HH1 ARG 15 1HH2 ARG 15 -5.594 -3.486 -9.369 109 2HH1 ARG 15 2HH2 ARG 15 -7.206 -4.065 -9.605 110 1HH2 ARG 15 1HH1 ARG 15 -8.704 -1.567 -7.742 111 2HH2 ARG 15 2HH1 ARG 15 -8.949 -2.992 -8.694 112 H ASP 16 H ASP 16 0.327 -0.826 -5.057 113 HA ASP 16 HA ASP 16 0.083 -3.650 -4.360 114 1HB ASP 16 2HB ASP 16 2.226 -1.709 -4.835 115 2HB ASP 16 1HB ASP 16 2.579 -2.789 -3.487 116 H CYS 17 H CYS 17 -0.715 -0.872 -2.678 117 HA CYS 17 HA CYS 17 0.208 -1.946 -0.064 118 1HB CYS 17 2HB CYS 17 -0.956 0.736 -0.853 119 2HB CYS 17 1HB CYS 17 -0.556 0.276 0.802 120 H CYS 18 H CYS 18 -1.661 -1.124 1.686 121 HA CYS 18 HA CYS 18 -4.076 -2.638 0.855 122 1HB CYS 18 2HB CYS 18 -2.562 -2.283 3.382 123 2HB CYS 18 1HB CYS 18 -4.294 -2.498 3.513 124 H GLU 19 H GLU 19 -5.938 -1.831 2.605 125 HA GLU 19 HA GLU 19 -6.838 0.679 1.604 126 1HB GLU 19 2HB GLU 19 -8.019 -1.373 2.912 127 2HB GLU 19 1HB GLU 19 -7.865 -0.223 4.236 128 1HG GLU 19 2HG GLU 19 -8.915 1.516 2.725 129 2HG GLU 19 1HG GLU 19 -9.255 0.216 1.582 130 H LEU 20 H LEU 20 -5.488 -0.203 4.762 131 HA LEU 20 HA LEU 20 -5.563 2.361 5.959 132 1HB LEU 20 2HB LEU 20 -3.647 1.520 7.370 133 2HB LEU 20 1HB LEU 20 -5.044 0.448 7.324 134 HG LEU 20 HG LEU 20 -3.118 -0.077 5.162 135 1HD1 LEU 20 1HD1 LEU 20 -1.676 0.664 7.170 136 2HD1 LEU 20 2HD1 LEU 20 -1.319 -0.910 6.459 137 3HD1 LEU 20 3HD1 LEU 20 -2.242 -0.808 7.959 138 1HD2 LEU 20 1HD2 LEU 20 -3.394 -2.383 6.587 139 2HD2 LEU 20 2HD2 LEU 20 -4.558 -1.845 5.378 140 3HD2 LEU 20 3HD2 LEU 20 -4.852 -1.527 7.087 141 H THR 21 H THR 21 -3.508 1.153 3.453 142 HA THR 21 HA THR 21 -2.014 3.735 3.487 143 HB THR 21 HB THR 21 -0.018 2.400 2.649 144 HG1 THR 21 1HG THR 21 -0.126 0.158 3.259 145 1HG2 THR 21 1HG2 THR 21 -0.353 3.224 5.026 146 2HG2 THR 21 2HG2 THR 21 0.713 1.829 4.862 147 3HG2 THR 21 3HG2 THR 21 -0.946 1.610 5.419 148 HA PRO 22 HA PRO 22 -3.692 3.066 -0.717 149 1HB PRO 22 2HB PRO 22 -4.568 5.625 -1.073 150 2HB PRO 22 1HB PRO 22 -5.501 4.386 -0.221 151 1HG PRO 22 2HG PRO 22 -4.165 6.759 0.851 152 2HG PRO 22 1HG PRO 22 -5.406 5.739 1.589 153 1HD PRO 22 2HD PRO 22 -2.548 5.715 2.068 154 2HD PRO 22 1HD PRO 22 -3.811 4.765 2.885 155 H VAL 23 H VAL 23 -0.936 4.449 0.387 156 HA VAL 23 HA VAL 23 -0.202 5.426 -2.346 157 HB VAL 23 HB VAL 23 0.782 6.606 0.268 158 1HG1 VAL 23 1HG1 VAL 23 1.441 8.443 -1.500 159 2HG1 VAL 23 2HG1 VAL 23 1.336 7.105 -2.644 160 3HG1 VAL 23 3HG1 VAL 23 2.469 7.025 -1.296 161 1HG2 VAL 23 1HG2 VAL 23 -1.392 7.415 0.159 162 2HG2 VAL 23 2HG2 VAL 23 -1.438 7.340 -1.603 163 3HG2 VAL 23 3HG2 VAL 23 -0.538 8.625 -0.797 164 H CYS 24 H CYS 24 1.968 5.092 -2.936 165 HA CYS 24 HA CYS 24 3.567 3.301 -1.177 166 1HB CYS 24 2HB CYS 24 2.360 1.879 -2.785 167 2HB CYS 24 1HB CYS 24 2.957 2.864 -4.115 168 H LYS 25 H LYS 25 4.951 5.085 -0.776 169 HA LYS 25 HA LYS 25 6.413 6.096 -3.192 170 1HB LYS 25 2HB LYS 25 5.183 7.847 -1.948 171 2HB LYS 25 1HB LYS 25 6.133 7.477 -0.515 172 1HG LYS 25 2HG LYS 25 7.992 8.523 -1.327 173 2HG LYS 25 1HG LYS 25 7.701 7.970 -2.977 174 1HD LYS 25 2HD LYS 25 7.410 10.360 -2.975 175 2HD LYS 25 1HD LYS 25 5.803 9.642 -3.098 176 1HE LYS 25 2HE LYS 25 5.360 11.097 -1.381 177 2HE LYS 25 1HE LYS 25 6.012 9.776 -0.413 178 1HZ LYS 25 1HZ LYS 25 8.229 10.840 -0.679 179 2HZ LYS 25 2HZ LYS 25 7.121 11.757 0.224 180 3HZ LYS 25 3HZ LYS 25 7.458 12.174 -1.388 181 H ARG 26 H ARG 26 8.609 6.138 -3.143 182 HA ARG 26 HA ARG 26 10.762 5.365 -2.597 183 1HB ARG 26 2HB ARG 26 10.069 6.848 -0.529 184 2HB ARG 26 1HB ARG 26 9.970 5.294 0.298 185 1HG ARG 26 2HG ARG 26 12.272 4.782 -0.266 186 2HG ARG 26 1HG ARG 26 12.389 6.230 -1.267 187 1HD ARG 26 2HD ARG 26 12.610 7.623 0.536 188 2HD ARG 26 1HD ARG 26 11.529 6.660 1.542 189 HE ARG 26 HE ARG 26 13.990 5.241 1.044 190 1HH1 ARG 26 1HH2 ARG 26 12.597 7.835 2.934 191 2HH1 ARG 26 2HH2 ARG 26 13.746 7.653 4.213 192 1HH2 ARG 26 1HH1 ARG 26 15.455 5.042 2.723 193 2HH2 ARG 26 2HH1 ARG 26 15.347 6.090 4.098 194 H GLY 27 H GLY 27 8.468 3.462 -2.980 195 1HA GLY 27 2HA GLY 27 8.161 1.138 -2.914 196 2HA GLY 27 1HA GLY 27 9.833 1.017 -2.362 197 H SER 28 H SER 28 7.381 2.894 -0.674 198 HA SER 28 HA SER 28 7.158 0.795 1.408 199 1HB SER 28 2HB SER 28 8.036 3.659 1.877 200 2HB SER 28 1HB SER 28 7.531 2.562 3.159 201 HG SER 28 HG SER 28 9.861 2.647 1.688 202 H CYS 29 H CYS 29 5.086 0.596 1.978 203 HA CYS 29 HA CYS 29 3.006 2.219 0.869 204 1HB CYS 29 2HB CYS 29 3.049 0.161 3.085 205 2HB CYS 29 1HB CYS 29 1.565 0.965 2.571 206 H VAL 30 H VAL 30 1.744 3.828 1.812 207 HA VAL 30 HA VAL 30 2.268 4.654 4.590 208 HB VAL 30 HB VAL 30 2.736 7.007 3.899 209 1HG1 VAL 30 1HG1 VAL 30 5.058 6.633 3.355 210 2HG1 VAL 30 2HG1 VAL 30 4.698 5.041 2.690 211 3HG1 VAL 30 3HG1 VAL 30 4.546 5.327 4.423 212 1HG2 VAL 30 1HG2 VAL 30 1.970 7.342 1.742 213 2HG2 VAL 30 2HG2 VAL 30 2.453 5.732 1.207 214 3HG2 VAL 30 3HG2 VAL 30 3.664 7.001 1.391 215 H SER 31 H SER 31 0.679 6.261 5.318 216 HA SER 31 HA SER 31 -1.904 5.908 3.915 217 1HB SER 31 2HB SER 31 -2.622 7.226 6.114 218 2HB SER 31 1HB SER 31 -2.282 5.498 6.159 219 HG SER 31 HG SER 31 -0.500 7.627 6.773 220 H SER 32 H SER 32 -0.218 7.564 2.488 221 HA SER 32 HA SER 32 -0.145 9.677 1.477 222 1HB SER 32 2HB SER 32 -2.608 10.579 2.889 223 2HB SER 32 1HB SER 32 -2.174 10.717 1.188 224 HG SER 32 HG SER 32 -3.068 8.842 0.821 Start of MODEL 14 1 1H LEU 1 1HT LEU 1 -15.016 -9.459 3.634 2 2H LEU 1 2HT LEU 1 -13.792 -10.528 3.138 3 3H LEU 1 3HT LEU 1 -14.396 -9.364 2.058 4 HA LEU 1 HA LEU 1 -13.573 -7.614 3.623 5 1HB LEU 1 2HB LEU 1 -13.257 -9.757 5.318 6 2HB LEU 1 1HB LEU 1 -11.613 -9.532 4.725 7 HG LEU 1 HG LEU 1 -11.984 -8.198 6.756 8 1HD1 LEU 1 1HD1 LEU 1 -11.367 -5.964 5.835 9 2HD1 LEU 1 2HD1 LEU 1 -11.794 -6.540 4.224 10 3HD1 LEU 1 3HD1 LEU 1 -10.450 -7.279 5.096 11 1HD2 LEU 1 1HD2 LEU 1 -14.532 -7.925 6.003 12 2HD2 LEU 1 2HD2 LEU 1 -13.916 -6.418 5.327 13 3HD2 LEU 1 3HD2 LEU 1 -13.754 -6.741 7.053 14 H LEU 2 H LEU 2 -12.776 -6.912 1.628 15 HA LEU 2 HA LEU 2 -10.139 -8.070 0.833 16 1HB LEU 2 2HB LEU 2 -12.519 -7.424 -0.907 17 2HB LEU 2 1HB LEU 2 -10.884 -7.443 -1.569 18 HG LEU 2 HG LEU 2 -12.053 -9.756 -0.004 19 1HD1 LEU 2 1HD1 LEU 2 -12.211 -9.046 -2.917 20 2HD1 LEU 2 2HD1 LEU 2 -13.437 -9.775 -1.880 21 3HD1 LEU 2 3HD1 LEU 2 -12.077 -10.741 -2.451 22 1HD2 LEU 2 1HD2 LEU 2 -9.771 -10.118 -0.017 23 2HD2 LEU 2 2HD2 LEU 2 -9.526 -9.182 -1.492 24 3HD2 LEU 2 3HD2 LEU 2 -10.172 -10.820 -1.585 25 H ALA 3 H ALA 3 -8.807 -6.423 1.487 26 HA ALA 3 HA ALA 3 -8.822 -3.924 0.045 27 1HB ALA 3 1HB ALA 3 -10.655 -3.795 1.980 28 2HB ALA 3 2HB ALA 3 -9.622 -2.414 1.606 29 3HB ALA 3 3HB ALA 3 -9.235 -3.460 2.971 30 H CYS 4 H CYS 4 -6.993 -6.093 0.718 31 HA CYS 4 HA CYS 4 -4.650 -4.586 1.317 32 1HB CYS 4 2HB CYS 4 -5.611 -4.568 3.609 33 2HB CYS 4 1HB CYS 4 -5.659 -6.328 3.592 34 H LEU 5 H LEU 5 -3.816 -5.744 -0.425 35 HA LEU 5 HA LEU 5 -3.983 -8.620 -0.648 36 1HB LEU 5 2HB LEU 5 -2.308 -8.328 -2.464 37 2HB LEU 5 1HB LEU 5 -3.674 -7.228 -2.632 38 HG LEU 5 HG LEU 5 -1.928 -5.777 -1.050 39 1HD1 LEU 5 1HD1 LEU 5 -0.332 -7.790 -1.883 40 2HD1 LEU 5 2HD1 LEU 5 0.259 -6.151 -1.614 41 3HD1 LEU 5 3HD1 LEU 5 -0.144 -6.687 -3.245 42 1HD2 LEU 5 1HD2 LEU 5 -3.209 -4.914 -2.959 43 2HD2 LEU 5 2HD2 LEU 5 -2.176 -5.807 -4.075 44 3HD2 LEU 5 3HD2 LEU 5 -1.508 -4.477 -3.128 45 H PHE 6 H PHE 6 -1.727 -6.426 0.899 46 HA PHE 6 HA PHE 6 -0.097 -8.805 1.696 47 1HB PHE 6 2HB PHE 6 0.723 -6.381 0.361 48 2HB PHE 6 1HB PHE 6 1.498 -6.458 1.942 49 HD1 PHE 6 1HD PHE 6 0.533 -9.052 -0.602 50 HD2 PHE 6 2HD PHE 6 3.659 -7.303 1.767 51 HE1 PHE 6 1HE PHE 6 2.132 -10.738 -1.467 52 HE2 PHE 6 2HE PHE 6 5.258 -8.990 0.905 53 HZ PHE 6 HZ PHE 6 4.494 -10.708 -0.713 54 H GLY 7 H GLY 7 0.033 -5.422 2.809 55 1HA GLY 7 2HA GLY 7 -1.048 -4.688 4.903 56 2HA GLY 7 1HA GLY 7 -0.915 -6.347 5.480 57 H ASN 8 H ASN 8 1.685 -4.742 3.756 58 HA ASN 8 HA ASN 8 3.226 -4.597 6.318 59 1HB ASN 8 2HB ASN 8 4.336 -5.300 3.583 60 2HB ASN 8 1HB ASN 8 5.217 -5.302 5.112 61 1HD2 ASN 8 1HD2 ASN 8 3.776 -6.699 6.877 62 2HD2 ASN 8 2HD2 ASN 8 3.349 -8.238 6.305 63 H GLY 9 H GLY 9 5.498 -3.337 5.322 64 1HA GLY 9 2HA GLY 9 4.377 -0.726 4.385 65 2HA GLY 9 1HA GLY 9 5.768 -0.865 5.459 66 H ARG 10 H ARG 10 5.418 -3.062 2.761 67 HA ARG 10 HA ARG 10 7.499 -1.528 1.261 68 1HB ARG 10 2HB ARG 10 8.531 -3.726 0.651 69 2HB ARG 10 1HB ARG 10 8.624 -3.383 2.378 70 1HG ARG 10 2HG ARG 10 6.478 -4.728 2.639 71 2HG ARG 10 1HG ARG 10 6.701 -5.245 0.967 72 1HD ARG 10 2HD ARG 10 8.605 -6.482 1.461 73 2HD ARG 10 1HD ARG 10 8.994 -5.508 2.879 74 HE ARG 10 HE ARG 10 6.512 -7.011 3.173 75 1HH1 ARG 10 1HH2 ARG 10 9.993 -7.113 3.501 76 2HH1 ARG 10 2HH2 ARG 10 9.944 -8.379 4.678 77 1HH2 ARG 10 1HH1 ARG 10 6.497 -8.649 4.696 78 2HH2 ARG 10 2HH1 ARG 10 7.989 -9.241 5.348 79 H CYS 11 H CYS 11 6.949 -1.223 -0.857 80 HA CYS 11 HA CYS 11 5.151 -3.149 -2.206 81 1HB CYS 11 2HB CYS 11 3.723 -1.182 -3.006 82 2HB CYS 11 1HB CYS 11 3.490 -1.677 -1.336 83 H SER 12 H SER 12 4.656 -2.120 -4.501 84 HA SER 12 HA SER 12 7.140 -0.867 -5.578 85 1HB SER 12 2HB SER 12 7.139 -2.375 -7.459 86 2HB SER 12 1HB SER 12 7.059 -3.360 -6.002 87 HG SER 12 HG SER 12 5.522 -3.894 -7.711 88 H SER 13 H SER 13 4.018 -0.300 -5.029 89 HA SER 13 HA SER 13 3.734 1.760 -6.961 90 1HB SER 13 2HB SER 13 3.382 0.177 -8.675 91 2HB SER 13 1HB SER 13 2.475 -0.901 -7.620 92 HG SER 13 HG SER 13 1.693 1.498 -8.866 93 H ASN 14 H ASN 14 1.487 2.714 -6.814 94 HA ASN 14 HA ASN 14 0.620 2.898 -4.118 95 1HB ASN 14 2HB ASN 14 -0.861 3.571 -6.667 96 2HB ASN 14 1HB ASN 14 -1.364 4.076 -5.056 97 1HD2 ASN 14 1HD2 ASN 14 -0.678 5.991 -7.086 98 2HD2 ASN 14 2HD2 ASN 14 0.742 6.789 -6.607 99 H ARG 15 H ARG 15 -0.702 0.989 -6.823 100 HA ARG 15 HA ARG 15 -2.919 -0.042 -5.293 101 1HB ARG 15 2HB ARG 15 -1.893 -0.285 -7.980 102 2HB ARG 15 1HB ARG 15 -2.353 -1.868 -7.361 103 1HG ARG 15 2HG ARG 15 -4.566 -0.907 -6.688 104 2HG ARG 15 1HG ARG 15 -4.099 0.609 -7.459 105 1HD ARG 15 2HD ARG 15 -3.566 -1.136 -9.473 106 2HD ARG 15 1HD ARG 15 -4.912 -1.962 -8.689 107 HE ARG 15 HE ARG 15 -6.334 -0.272 -9.495 108 1HH1 ARG 15 1HH2 ARG 15 -3.020 0.845 -9.535 109 2HH1 ARG 15 2HH2 ARG 15 -3.424 2.323 -10.336 110 1HH2 ARG 15 1HH1 ARG 15 -6.810 1.652 -10.531 111 2HH2 ARG 15 2HH1 ARG 15 -5.545 2.777 -10.895 112 H ASP 16 H ASP 16 0.377 -0.752 -5.139 113 HA ASP 16 HA ASP 16 0.093 -3.584 -4.466 114 1HB ASP 16 2HB ASP 16 2.264 -1.659 -4.878 115 2HB ASP 16 1HB ASP 16 2.572 -2.752 -3.531 116 H CYS 17 H CYS 17 -0.734 -0.804 -2.807 117 HA CYS 17 HA CYS 17 0.111 -1.887 -0.168 118 1HB CYS 17 2HB CYS 17 -0.972 0.816 -0.994 119 2HB CYS 17 1HB CYS 17 -0.633 0.356 0.674 120 H CYS 18 H CYS 18 -1.655 -1.378 1.602 121 HA CYS 18 HA CYS 18 -4.100 -2.760 0.742 122 1HB CYS 18 2HB CYS 18 -3.079 -1.922 3.469 123 2HB CYS 18 1HB CYS 18 -4.482 -2.928 3.168 124 H GLU 19 H GLU 19 -6.038 -1.844 2.340 125 HA GLU 19 HA GLU 19 -6.855 0.631 1.169 126 1HB GLU 19 2HB GLU 19 -8.132 -1.376 2.479 127 2HB GLU 19 1HB GLU 19 -8.085 -0.155 3.746 128 1HG GLU 19 2HG GLU 19 -8.901 0.713 1.005 129 2HG GLU 19 1HG GLU 19 -10.063 -0.210 1.959 130 H LEU 20 H LEU 20 -5.670 -0.173 4.407 131 HA LEU 20 HA LEU 20 -5.820 2.426 5.537 132 1HB LEU 20 2HB LEU 20 -4.026 1.609 7.100 133 2HB LEU 20 1HB LEU 20 -5.408 0.521 6.965 134 HG LEU 20 HG LEU 20 -3.306 -0.005 4.968 135 1HD1 LEU 20 1HD1 LEU 20 -1.824 0.654 6.784 136 2HD1 LEU 20 2HD1 LEU 20 -1.796 -1.103 6.635 137 3HD1 LEU 20 3HD1 LEU 20 -2.726 -0.342 7.926 138 1HD2 LEU 20 1HD2 LEU 20 -5.437 -1.355 5.994 139 2HD2 LEU 20 2HD2 LEU 20 -4.138 -2.032 6.974 140 3HD2 LEU 20 3HD2 LEU 20 -4.069 -2.150 5.215 141 H THR 21 H THR 21 -3.652 1.161 3.162 142 HA THR 21 HA THR 21 -2.068 3.687 3.309 143 HB THR 21 HB THR 21 -0.155 2.229 2.377 144 HG1 THR 21 1HG THR 21 -0.365 0.026 3.000 145 1HG2 THR 21 1HG2 THR 21 0.254 2.959 4.535 146 2HG2 THR 21 2HG2 THR 21 0.168 1.219 4.808 147 3HG2 THR 21 3HG2 THR 21 -1.225 2.238 5.171 148 HA PRO 22 HA PRO 22 -3.709 3.290 -0.938 149 1HB PRO 22 2HB PRO 22 -4.475 5.896 -1.179 150 2HB PRO 22 1HB PRO 22 -5.466 4.659 -0.393 151 1HG PRO 22 2HG PRO 22 -4.054 6.925 0.798 152 2HG PRO 22 1HG PRO 22 -5.328 5.909 1.486 153 1HD PRO 22 2HD PRO 22 -2.462 5.767 1.942 154 2HD PRO 22 1HD PRO 22 -3.756 4.845 2.742 155 H VAL 23 H VAL 23 -0.917 4.541 0.262 156 HA VAL 23 HA VAL 23 -0.100 5.544 -2.436 157 HB VAL 23 HB VAL 23 0.825 6.697 0.212 158 1HG1 VAL 23 1HG1 VAL 23 2.515 6.869 -1.538 159 2HG1 VAL 23 2HG1 VAL 23 1.794 8.458 -1.281 160 3HG1 VAL 23 3HG1 VAL 23 1.317 7.489 -2.675 161 1HG2 VAL 23 1HG2 VAL 23 -1.083 7.794 -1.867 162 2HG2 VAL 23 2HG2 VAL 23 -0.476 8.688 -0.473 163 3HG2 VAL 23 3HG2 VAL 23 -1.512 7.280 -0.236 164 H CYS 24 H CYS 24 2.052 5.144 -2.992 165 HA CYS 24 HA CYS 24 3.590 3.337 -1.195 166 1HB CYS 24 2HB CYS 24 2.403 1.931 -2.830 167 2HB CYS 24 1HB CYS 24 3.036 2.912 -4.147 168 H LYS 25 H LYS 25 4.998 5.080 -0.750 169 HA LYS 25 HA LYS 25 6.509 6.122 -3.123 170 1HB LYS 25 2HB LYS 25 5.293 7.865 -1.862 171 2HB LYS 25 1HB LYS 25 6.196 7.438 -0.415 172 1HG LYS 25 2HG LYS 25 8.159 8.359 -1.210 173 2HG LYS 25 1HG LYS 25 7.742 8.052 -2.896 174 1HD LYS 25 2HD LYS 25 7.610 10.437 -2.543 175 2HD LYS 25 1HD LYS 25 5.960 9.830 -2.691 176 1HE LYS 25 2HE LYS 25 5.879 11.246 -0.798 177 2HE LYS 25 1HE LYS 25 6.010 9.625 -0.113 178 1HZ LYS 25 1HZ LYS 25 7.551 11.180 0.927 179 2HZ LYS 25 2HZ LYS 25 8.282 11.482 -0.576 180 3HZ LYS 25 3HZ LYS 25 8.380 9.938 0.124 181 H ARG 26 H ARG 26 8.713 6.158 -3.033 182 HA ARG 26 HA ARG 26 10.851 5.349 -2.477 183 1HB ARG 26 2HB ARG 26 10.164 6.787 -0.391 184 2HB ARG 26 1HB ARG 26 9.992 5.221 0.402 185 1HG ARG 26 2HG ARG 26 12.372 4.790 -0.702 186 2HG ARG 26 1HG ARG 26 12.454 6.551 -0.653 187 1HD ARG 26 2HD ARG 26 11.662 6.284 1.817 188 2HD ARG 26 1HD ARG 26 12.200 4.614 1.637 189 HE ARG 26 HE ARG 26 14.417 5.386 1.722 190 1HH1 ARG 26 1HH2 ARG 26 12.271 8.025 0.908 191 2HH1 ARG 26 2HH2 ARG 26 13.532 9.205 0.980 192 1HH2 ARG 26 1HH1 ARG 26 16.018 6.947 1.802 193 2HH2 ARG 26 2HH1 ARG 26 15.631 8.604 1.481 194 H GLY 27 H GLY 27 8.565 3.473 -2.961 195 1HA GLY 27 2HA GLY 27 8.229 1.152 -2.950 196 2HA GLY 27 1HA GLY 27 9.895 1.002 -2.385 197 H SER 28 H SER 28 7.411 2.842 -0.691 198 HA SER 28 HA SER 28 7.171 0.704 1.344 199 1HB SER 28 2HB SER 28 8.030 3.558 1.895 200 2HB SER 28 1HB SER 28 7.527 2.420 3.141 201 HG SER 28 HG SER 28 9.274 1.167 2.700 202 H CYS 29 H CYS 29 5.099 0.517 1.952 203 HA CYS 29 HA CYS 29 3.034 2.155 0.814 204 1HB CYS 29 2HB CYS 29 3.052 0.052 2.986 205 2HB CYS 29 1HB CYS 29 1.577 0.905 2.537 206 H VAL 30 H VAL 30 1.749 3.742 1.773 207 HA VAL 30 HA VAL 30 2.263 4.549 4.557 208 HB VAL 30 HB VAL 30 2.717 6.914 3.883 209 1HG1 VAL 30 1HG1 VAL 30 4.506 5.119 4.356 210 2HG1 VAL 30 2HG1 VAL 30 5.031 6.569 3.500 211 3HG1 VAL 30 3HG1 VAL 30 4.744 5.074 2.609 212 1HG2 VAL 30 1HG2 VAL 30 3.683 6.873 1.368 213 2HG2 VAL 30 2HG2 VAL 30 2.009 7.292 1.726 214 3HG2 VAL 30 3HG2 VAL 30 2.415 5.662 1.193 215 H SER 31 H SER 31 0.616 5.987 5.355 216 HA SER 31 HA SER 31 -1.917 5.769 3.827 217 1HB SER 31 2HB SER 31 -1.660 6.842 6.629 218 2HB SER 31 1HB SER 31 -3.037 6.040 5.879 219 HG SER 31 HG SER 31 -2.227 4.334 6.812 220 H SER 32 H SER 32 -0.039 7.661 2.844 221 HA SER 32 HA SER 32 0.064 9.898 2.157 222 1HB SER 32 2HB SER 32 -2.627 10.490 3.296 223 2HB SER 32 1HB SER 32 -1.958 10.905 1.721 224 HG SER 32 HG SER 32 -2.704 9.094 0.951 Start of MODEL 15 1 1H LEU 1 1HT LEU 1 -15.594 -5.076 5.649 2 2H LEU 1 2HT LEU 1 -14.304 -6.170 5.800 3 3H LEU 1 3HT LEU 1 -15.454 -6.373 4.567 4 HA LEU 1 HA LEU 1 -14.747 -4.179 3.648 5 1HB LEU 1 2HB LEU 1 -12.481 -4.637 5.615 6 2HB LEU 1 1HB LEU 1 -12.540 -3.366 4.393 7 HG LEU 1 HG LEU 1 -14.915 -2.927 5.612 8 1HD1 LEU 1 1HD1 LEU 1 -14.415 -4.785 7.240 9 2HD1 LEU 1 2HD1 LEU 1 -14.708 -3.224 8.005 10 3HD1 LEU 1 3HD1 LEU 1 -13.059 -3.826 7.834 11 1HD2 LEU 1 1HD2 LEU 1 -13.901 -1.014 6.544 12 2HD2 LEU 1 2HD2 LEU 1 -12.812 -1.436 5.222 13 3HD2 LEU 1 3HD2 LEU 1 -12.393 -1.866 6.880 14 H LEU 2 H LEU 2 -12.801 -4.184 2.120 15 HA LEU 2 HA LEU 2 -11.366 -6.713 1.809 16 1HB LEU 2 2HB LEU 2 -12.315 -7.114 -0.504 17 2HB LEU 2 1HB LEU 2 -13.440 -7.431 0.815 18 HG LEU 2 HG LEU 2 -13.418 -4.661 -0.279 19 1HD1 LEU 2 1HD1 LEU 2 -13.419 -5.671 -2.394 20 2HD1 LEU 2 2HD1 LEU 2 -15.140 -5.583 -2.022 21 3HD1 LEU 2 3HD1 LEU 2 -14.270 -7.103 -1.817 22 1HD2 LEU 2 1HD2 LEU 2 -15.021 -4.993 1.394 23 2HD2 LEU 2 2HD2 LEU 2 -15.374 -6.638 0.867 24 3HD2 LEU 2 3HD2 LEU 2 -15.969 -5.266 -0.068 25 H ALA 3 H ALA 3 -9.717 -4.966 2.037 26 HA ALA 3 HA ALA 3 -8.802 -4.091 -0.601 27 1HB ALA 3 1HB ALA 3 -9.928 -2.173 1.410 28 2HB ALA 3 2HB ALA 3 -10.056 -2.148 -0.349 29 3HB ALA 3 3HB ALA 3 -8.550 -1.666 0.433 30 H CYS 4 H CYS 4 -7.239 -5.718 0.390 31 HA CYS 4 HA CYS 4 -4.872 -4.414 1.261 32 1HB CYS 4 2HB CYS 4 -6.113 -4.191 3.405 33 2HB CYS 4 1HB CYS 4 -6.334 -5.937 3.445 34 H LEU 5 H LEU 5 -3.868 -5.715 -0.250 35 HA LEU 5 HA LEU 5 -3.956 -8.664 0.257 36 1HB LEU 5 2HB LEU 5 -3.316 -8.897 -2.157 37 2HB LEU 5 1HB LEU 5 -4.894 -8.143 -1.923 38 HG LEU 5 HG LEU 5 -2.538 -6.325 -2.024 39 1HD1 LEU 5 1HD1 LEU 5 -3.683 -7.739 -4.451 40 2HD1 LEU 5 2HD1 LEU 5 -2.023 -7.838 -3.866 41 3HD1 LEU 5 3HD1 LEU 5 -2.636 -6.321 -4.522 42 1HD2 LEU 5 1HD2 LEU 5 -5.158 -5.878 -1.819 43 2HD2 LEU 5 2HD2 LEU 5 -5.078 -6.006 -3.575 44 3HD2 LEU 5 3HD2 LEU 5 -4.119 -4.787 -2.735 45 H PHE 6 H PHE 6 -2.151 -6.592 1.463 46 HA PHE 6 HA PHE 6 0.431 -7.763 0.515 47 1HB PHE 6 2HB PHE 6 -0.392 -4.985 0.644 48 2HB PHE 6 1HB PHE 6 0.986 -5.253 1.708 49 HD1 PHE 6 1HD PHE 6 -0.197 -6.187 -1.733 50 HD2 PHE 6 2HD PHE 6 3.126 -5.150 0.786 51 HE1 PHE 6 1HE PHE 6 1.313 -6.244 -3.699 52 HE2 PHE 6 2HE PHE 6 4.634 -5.206 -1.180 53 HZ PHE 6 HZ PHE 6 3.728 -5.753 -3.424 54 H GLY 7 H GLY 7 -0.387 -5.612 3.242 55 1HA GLY 7 2HA GLY 7 -0.456 -6.143 5.564 56 2HA GLY 7 1HA GLY 7 -0.011 -7.803 5.172 57 H ASN 8 H ASN 8 1.771 -5.054 3.916 58 HA ASN 8 HA ASN 8 3.900 -5.378 5.947 59 1HB ASN 8 2HB ASN 8 4.163 -6.101 3.034 60 2HB ASN 8 1HB ASN 8 5.562 -5.522 3.938 61 1HD2 ASN 8 1HD2 ASN 8 4.434 -8.351 2.923 62 2HD2 ASN 8 2HD2 ASN 8 4.766 -9.348 4.257 63 H GLY 9 H GLY 9 5.722 -3.725 5.423 64 1HA GLY 9 2HA GLY 9 4.391 -1.199 4.584 65 2HA GLY 9 1HA GLY 9 5.837 -1.300 5.590 66 H ARG 10 H ARG 10 5.706 -3.354 2.798 67 HA ARG 10 HA ARG 10 7.509 -1.466 1.337 68 1HB ARG 10 2HB ARG 10 8.660 -3.543 0.459 69 2HB ARG 10 1HB ARG 10 8.894 -3.253 2.183 70 1HG ARG 10 2HG ARG 10 7.320 -4.933 2.787 71 2HG ARG 10 1HG ARG 10 6.678 -5.030 1.148 72 1HD ARG 10 2HD ARG 10 8.367 -6.383 0.424 73 2HD ARG 10 1HD ARG 10 9.582 -5.561 1.402 74 HE ARG 10 HE ARG 10 8.030 -7.898 2.198 75 1HH1 ARG 10 1HH2 ARG 10 9.766 -5.078 3.327 76 2HH1 ARG 10 2HH2 ARG 10 10.075 -5.767 4.883 77 1HH2 ARG 10 1HH1 ARG 10 8.451 -8.748 4.224 78 2HH2 ARG 10 2HH1 ARG 10 9.338 -7.821 5.388 79 H CYS 11 H CYS 11 7.003 -1.162 -0.817 80 HA CYS 11 HA CYS 11 5.185 -3.066 -2.169 81 1HB CYS 11 2HB CYS 11 3.717 -1.104 -2.886 82 2HB CYS 11 1HB CYS 11 3.536 -1.626 -1.218 83 H SER 12 H SER 12 4.628 -1.977 -4.427 84 HA SER 12 HA SER 12 7.058 -0.647 -5.524 85 1HB SER 12 2HB SER 12 5.867 -3.263 -6.301 86 2HB SER 12 1HB SER 12 6.411 -2.215 -7.609 87 HG SER 12 HG SER 12 7.899 -3.192 -5.397 88 H SER 13 H SER 13 3.953 -0.164 -4.930 89 HA SER 13 HA SER 13 3.551 1.848 -6.883 90 1HB SER 13 2HB SER 13 3.243 0.214 -8.569 91 2HB SER 13 1HB SER 13 2.353 -0.856 -7.491 92 HG SER 13 HG SER 13 1.531 1.626 -8.595 93 H ASN 14 H ASN 14 1.243 2.683 -6.742 94 HA ASN 14 HA ASN 14 0.407 2.871 -4.027 95 1HB ASN 14 2HB ASN 14 -0.694 3.709 -6.663 96 2HB ASN 14 1HB ASN 14 -1.820 3.656 -5.307 97 1HD2 ASN 14 1HD2 ASN 14 -1.996 5.933 -4.940 98 2HD2 ASN 14 2HD2 ASN 14 -0.679 6.895 -4.465 99 H ARG 15 H ARG 15 -0.789 0.849 -6.700 100 HA ARG 15 HA ARG 15 -2.992 -0.241 -5.190 101 1HB ARG 15 2HB ARG 15 -1.955 -0.450 -7.851 102 2HB ARG 15 1HB ARG 15 -2.224 -2.074 -7.224 103 1HG ARG 15 2HG ARG 15 -4.375 -0.097 -6.685 104 2HG ARG 15 1HG ARG 15 -4.183 -0.595 -8.366 105 1HD ARG 15 2HD ARG 15 -4.406 -2.936 -7.755 106 2HD ARG 15 1HD ARG 15 -4.436 -2.522 -6.041 107 HE ARG 15 HE ARG 15 -6.673 -2.304 -7.898 108 1HH1 ARG 15 1HH2 ARG 15 -5.259 -1.075 -4.944 109 2HH1 ARG 15 2HH2 ARG 15 -6.779 -0.532 -4.325 110 1HH2 ARG 15 1HH1 ARG 15 -8.616 -1.584 -7.058 111 2HH2 ARG 15 2HH1 ARG 15 -8.660 -0.816 -5.507 112 H ASP 16 H ASP 16 0.338 -0.809 -4.985 113 HA ASP 16 HA ASP 16 0.148 -3.623 -4.210 114 1HB ASP 16 2HB ASP 16 2.256 -1.632 -4.668 115 2HB ASP 16 1HB ASP 16 2.589 -2.691 -3.300 116 H CYS 17 H CYS 17 -0.800 -0.830 -2.665 117 HA CYS 17 HA CYS 17 0.039 -1.808 0.021 118 1HB CYS 17 2HB CYS 17 -0.999 0.883 -0.903 119 2HB CYS 17 1HB CYS 17 -0.643 0.478 0.774 120 H CYS 18 H CYS 18 -1.696 -1.306 1.762 121 HA CYS 18 HA CYS 18 -4.182 -2.610 0.915 122 1HB CYS 18 2HB CYS 18 -3.006 -1.824 3.587 123 2HB CYS 18 1HB CYS 18 -4.581 -2.570 3.411 124 H GLU 19 H GLU 19 -6.104 -1.617 2.487 125 HA GLU 19 HA GLU 19 -6.853 0.852 1.265 126 1HB GLU 19 2HB GLU 19 -8.192 -1.076 2.620 127 2HB GLU 19 1HB GLU 19 -8.091 0.161 3.868 128 1HG GLU 19 2HG GLU 19 -8.949 1.814 2.127 129 2HG GLU 19 1HG GLU 19 -9.305 0.418 1.109 130 H LEU 20 H LEU 20 -5.710 0.108 4.537 131 HA LEU 20 HA LEU 20 -5.765 2.742 5.585 132 1HB LEU 20 2HB LEU 20 -4.076 1.941 7.213 133 2HB LEU 20 1HB LEU 20 -5.388 0.782 7.011 134 HG LEU 20 HG LEU 20 -3.125 0.408 5.142 135 1HD1 LEU 20 1HD1 LEU 20 -2.173 1.121 7.483 136 2HD1 LEU 20 2HD1 LEU 20 -1.510 -0.300 6.676 137 3HD1 LEU 20 3HD1 LEU 20 -2.686 -0.493 7.976 138 1HD2 LEU 20 1HD2 LEU 20 -4.520 -1.409 5.046 139 2HD2 LEU 20 2HD2 LEU 20 -5.097 -1.179 6.697 140 3HD2 LEU 20 3HD2 LEU 20 -3.543 -1.960 6.407 141 H THR 21 H THR 21 -3.626 1.318 3.271 142 HA THR 21 HA THR 21 -1.960 3.796 3.320 143 HB THR 21 HB THR 21 -0.168 2.198 2.306 144 HG1 THR 21 1HG THR 21 -0.439 0.058 3.006 145 1HG2 THR 21 1HG2 THR 21 0.254 1.321 4.780 146 2HG2 THR 21 2HG2 THR 21 -1.044 2.455 5.153 147 3HG2 THR 21 3HG2 THR 21 0.433 3.029 4.377 148 HA PRO 22 HA PRO 22 -3.763 3.425 -0.866 149 1HB PRO 22 2HB PRO 22 -4.471 6.049 -1.088 150 2HB PRO 22 1HB PRO 22 -5.461 4.842 -0.257 151 1HG PRO 22 2HG PRO 22 -3.955 7.079 0.867 152 2HG PRO 22 1HG PRO 22 -5.215 6.088 1.614 153 1HD PRO 22 2HD PRO 22 -2.328 5.889 1.930 154 2HD PRO 22 1HD PRO 22 -3.601 5.015 2.809 155 H VAL 23 H VAL 23 -0.907 4.609 0.236 156 HA VAL 23 HA VAL 23 -0.122 5.511 -2.500 157 HB VAL 23 HB VAL 23 0.836 6.824 0.059 158 1HG1 VAL 23 1HG1 VAL 23 1.542 8.563 -1.749 159 2HG1 VAL 23 2HG1 VAL 23 1.355 7.226 -2.883 160 3HG1 VAL 23 3HG1 VAL 23 2.519 7.107 -1.563 161 1HG2 VAL 23 1HG2 VAL 23 -0.482 8.793 -0.982 162 2HG2 VAL 23 2HG2 VAL 23 -1.398 7.536 -0.150 163 3HG2 VAL 23 3HG2 VAL 23 -1.320 7.552 -1.912 164 H CYS 24 H CYS 24 2.058 5.142 -3.011 165 HA CYS 24 HA CYS 24 3.568 3.389 -1.135 166 1HB CYS 24 2HB CYS 24 2.461 1.958 -2.801 167 2HB CYS 24 1HB CYS 24 3.125 2.937 -4.105 168 H LYS 25 H LYS 25 4.948 5.137 -0.641 169 HA LYS 25 HA LYS 25 6.520 6.204 -2.962 170 1HB LYS 25 2HB LYS 25 5.239 7.922 -1.728 171 2HB LYS 25 1HB LYS 25 6.111 7.504 -0.259 172 1HG LYS 25 2HG LYS 25 7.264 9.384 -1.153 173 2HG LYS 25 1HG LYS 25 8.249 7.992 -1.600 174 1HD LYS 25 2HD LYS 25 8.118 9.102 -3.640 175 2HD LYS 25 1HD LYS 25 6.738 8.010 -3.769 176 1HE LYS 25 2HE LYS 25 5.838 10.103 -4.378 177 2HE LYS 25 1HE LYS 25 5.381 9.936 -2.681 178 1HZ LYS 25 1HZ LYS 25 7.562 11.560 -3.843 179 2HZ LYS 25 2HZ LYS 25 7.538 11.147 -2.194 180 3HZ LYS 25 3HZ LYS 25 6.276 12.069 -2.861 181 H ARG 26 H ARG 26 8.713 6.236 -2.817 182 HA ARG 26 HA ARG 26 10.842 5.451 -2.197 183 1HB ARG 26 2HB ARG 26 10.094 6.896 -0.139 184 2HB ARG 26 1HB ARG 26 9.903 5.335 0.658 185 1HG ARG 26 2HG ARG 26 12.325 4.938 -0.428 186 2HG ARG 26 1HG ARG 26 12.384 6.694 -0.274 187 1HD ARG 26 2HD ARG 26 11.812 6.514 2.115 188 2HD ARG 26 1HD ARG 26 11.734 4.759 1.968 189 HE ARG 26 HE ARG 26 14.291 5.795 1.080 190 1HH1 ARG 26 1HH2 ARG 26 12.417 4.928 3.903 191 2HH1 ARG 26 2HH2 ARG 26 13.820 4.613 4.861 192 1HH2 ARG 26 1HH1 ARG 26 16.079 5.376 2.357 193 2HH2 ARG 26 2HH1 ARG 26 15.873 4.862 3.997 194 H GLY 27 H GLY 27 8.585 3.557 -2.735 195 1HA GLY 27 2HA GLY 27 8.262 1.234 -2.720 196 2HA GLY 27 1HA GLY 27 9.914 1.098 -2.112 197 H SER 28 H SER 28 7.390 2.937 -0.485 198 HA SER 28 HA SER 28 7.108 0.808 1.555 199 1HB SER 28 2HB SER 28 8.312 3.511 1.926 200 2HB SER 28 1HB SER 28 7.239 2.926 3.195 201 HG SER 28 HG SER 28 8.830 1.717 3.813 202 H CYS 29 H CYS 29 5.022 0.605 2.094 203 HA CYS 29 HA CYS 29 2.976 2.217 0.901 204 1HB CYS 29 2HB CYS 29 2.962 0.124 3.080 205 2HB CYS 29 1HB CYS 29 1.488 0.959 2.591 206 H VAL 30 H VAL 30 1.642 3.788 1.812 207 HA VAL 30 HA VAL 30 2.071 4.631 4.603 208 HB VAL 30 HB VAL 30 2.490 6.998 3.912 209 1HG1 VAL 30 1HG1 VAL 30 4.843 6.683 3.416 210 2HG1 VAL 30 2HG1 VAL 30 4.537 5.057 2.804 211 3HG1 VAL 30 3HG1 VAL 30 4.334 5.405 4.520 212 1HG2 VAL 30 1HG2 VAL 30 3.513 6.965 1.426 213 2HG2 VAL 30 2HG2 VAL 30 1.815 7.328 1.735 214 3HG2 VAL 30 3HG2 VAL 30 2.291 5.708 1.229 215 H SER 31 H SER 31 0.424 6.243 5.257 216 HA SER 31 HA SER 31 -2.154 5.636 4.043 217 1HB SER 31 2HB SER 31 -2.862 7.439 5.825 218 2HB SER 31 1HB SER 31 -2.337 5.840 6.347 219 HG SER 31 HG SER 31 -0.873 6.894 7.421 220 H SER 32 H SER 32 0.186 7.800 3.094 221 HA SER 32 HA SER 32 -1.542 9.220 1.322 222 1HB SER 32 2HB SER 32 -0.944 11.516 2.539 223 2HB SER 32 1HB SER 32 -2.396 10.611 2.959 224 HG SER 32 HG SER 32 -0.474 11.299 4.563 Start of MODEL 16 1 1H LEU 1 1HT LEU 1 -16.810 -6.295 -1.322 2 2H LEU 1 2HT LEU 1 -15.704 -6.880 -0.174 3 3H LEU 1 3HT LEU 1 -15.951 -7.724 -1.626 4 HA LEU 1 HA LEU 1 -14.780 -6.218 -2.889 5 1HB LEU 1 2HB LEU 1 -15.412 -4.321 -0.624 6 2HB LEU 1 1HB LEU 1 -14.180 -3.941 -1.830 7 HG LEU 1 HG LEU 1 -16.816 -4.883 -2.848 8 1HD1 LEU 1 1HD1 LEU 1 -16.377 -2.071 -1.798 9 2HD1 LEU 1 2HD1 LEU 1 -17.405 -3.281 -1.030 10 3HD1 LEU 1 3HD1 LEU 1 -17.816 -2.662 -2.630 11 1HD2 LEU 1 1HD2 LEU 1 -16.142 -2.743 -4.318 12 2HD2 LEU 1 2HD2 LEU 1 -15.426 -4.328 -4.605 13 3HD2 LEU 1 3HD2 LEU 1 -14.548 -3.121 -3.666 14 H LEU 2 H LEU 2 -12.469 -5.801 -2.815 15 HA LEU 2 HA LEU 2 -11.130 -6.642 -0.281 16 1HB LEU 2 2HB LEU 2 -10.551 -7.659 -3.079 17 2HB LEU 2 1HB LEU 2 -9.505 -7.945 -1.687 18 HG LEU 2 HG LEU 2 -12.407 -8.614 -1.419 19 1HD1 LEU 2 1HD1 LEU 2 -10.517 -10.632 -2.602 20 2HD1 LEU 2 2HD1 LEU 2 -11.376 -9.514 -3.662 21 3HD1 LEU 2 3HD1 LEU 2 -12.281 -10.614 -2.624 22 1HD2 LEU 2 1HD2 LEU 2 -10.890 -8.847 0.494 23 2HD2 LEU 2 2HD2 LEU 2 -9.809 -9.861 -0.462 24 3HD2 LEU 2 3HD2 LEU 2 -11.421 -10.441 -0.041 25 H ALA 3 H ALA 3 -9.632 -5.155 0.298 26 HA ALA 3 HA ALA 3 -8.151 -3.689 -1.820 27 1HB ALA 3 1HB ALA 3 -8.597 -1.532 -0.830 28 2HB ALA 3 2HB ALA 3 -9.450 -2.273 0.525 29 3HB ALA 3 3HB ALA 3 -10.152 -2.321 -1.094 30 H CYS 4 H CYS 4 -7.016 -5.709 -0.424 31 HA CYS 4 HA CYS 4 -4.790 -4.488 0.860 32 1HB CYS 4 2HB CYS 4 -6.413 -4.104 2.694 33 2HB CYS 4 1HB CYS 4 -6.751 -5.832 2.746 34 H LEU 5 H LEU 5 -3.612 -5.909 -0.415 35 HA LEU 5 HA LEU 5 -3.838 -8.802 0.322 36 1HB LEU 5 2HB LEU 5 -3.053 -9.301 -2.006 37 2HB LEU 5 1HB LEU 5 -4.635 -8.524 -1.959 38 HG LEU 5 HG LEU 5 -2.286 -6.707 -2.099 39 1HD1 LEU 5 1HD1 LEU 5 -3.197 -8.399 -4.447 40 2HD1 LEU 5 2HD1 LEU 5 -1.612 -8.462 -3.677 41 3HD1 LEU 5 3HD1 LEU 5 -2.108 -7.017 -4.557 42 1HD2 LEU 5 1HD2 LEU 5 -3.792 -5.385 -3.406 43 2HD2 LEU 5 2HD2 LEU 5 -4.768 -6.077 -2.111 44 3HD2 LEU 5 3HD2 LEU 5 -4.835 -6.769 -3.731 45 H PHE 6 H PHE 6 -2.121 -6.628 1.429 46 HA PHE 6 HA PHE 6 0.530 -7.832 0.742 47 1HB PHE 6 2HB PHE 6 -0.350 -5.049 0.694 48 2HB PHE 6 1HB PHE 6 1.032 -5.267 1.767 49 HD1 PHE 6 1HD PHE 6 -0.148 -6.394 -1.618 50 HD2 PHE 6 2HD PHE 6 3.161 -5.164 0.829 51 HE1 PHE 6 1HE PHE 6 1.359 -6.535 -3.583 52 HE2 PHE 6 2HE PHE 6 4.667 -5.304 -1.136 53 HZ PHE 6 HZ PHE 6 3.765 -5.990 -3.342 54 H GLY 7 H GLY 7 -0.483 -5.512 3.256 55 1HA GLY 7 2HA GLY 7 -0.663 -5.856 5.602 56 2HA GLY 7 1HA GLY 7 -0.223 -7.548 5.360 57 H ASN 8 H ASN 8 1.651 -4.899 4.017 58 HA ASN 8 HA ASN 8 3.681 -5.130 6.161 59 1HB ASN 8 2HB ASN 8 3.978 -6.151 3.376 60 2HB ASN 8 1HB ASN 8 5.356 -5.291 4.064 61 1HD2 ASN 8 1HD2 ASN 8 3.089 -7.987 4.804 62 2HD2 ASN 8 2HD2 ASN 8 4.197 -8.857 5.751 63 H GLY 9 H GLY 9 5.622 -3.577 5.434 64 1HA GLY 9 2HA GLY 9 4.317 -1.047 4.540 65 2HA GLY 9 1HA GLY 9 5.750 -1.131 5.564 66 H ARG 10 H ARG 10 5.553 -3.270 2.824 67 HA ARG 10 HA ARG 10 7.455 -1.506 1.333 68 1HB ARG 10 2HB ARG 10 7.534 -4.537 1.454 69 2HB ARG 10 1HB ARG 10 8.698 -3.483 0.651 70 1HG ARG 10 2HG ARG 10 8.755 -2.426 3.150 71 2HG ARG 10 1HG ARG 10 8.386 -4.107 3.536 72 1HD ARG 10 2HD ARG 10 10.650 -3.274 1.704 73 2HD ARG 10 1HD ARG 10 10.856 -3.581 3.429 74 HE ARG 10 HE ARG 10 9.554 -5.796 2.073 75 1HH1 ARG 10 1HH2 ARG 10 12.642 -4.311 2.783 76 2HH1 ARG 10 2HH2 ARG 10 13.508 -5.797 2.612 77 1HH2 ARG 10 1HH1 ARG 10 10.718 -7.695 1.862 78 2HH2 ARG 10 2HH1 ARG 10 12.433 -7.693 2.096 79 H CYS 11 H CYS 11 6.933 -1.201 -0.811 80 HA CYS 11 HA CYS 11 5.093 -3.095 -2.150 81 1HB CYS 11 2HB CYS 11 3.664 -1.120 -2.907 82 2HB CYS 11 1HB CYS 11 3.464 -1.612 -1.232 83 H SER 12 H SER 12 4.574 -2.050 -4.426 84 HA SER 12 HA SER 12 7.043 -0.795 -5.533 85 1HB SER 12 2HB SER 12 5.504 -2.959 -6.973 86 2HB SER 12 1HB SER 12 7.091 -2.308 -7.373 87 HG SER 12 HG SER 12 7.277 -4.298 -6.296 88 H SER 13 H SER 13 3.927 -0.235 -4.945 89 HA SER 13 HA SER 13 3.612 1.831 -6.860 90 1HB SER 13 2HB SER 13 3.261 0.246 -8.582 91 2HB SER 13 1HB SER 13 2.349 -0.829 -7.528 92 HG SER 13 HG SER 13 0.757 0.176 -8.546 93 H ASN 14 H ASN 14 1.330 2.739 -6.710 94 HA ASN 14 HA ASN 14 0.492 2.923 -4.002 95 1HB ASN 14 2HB ASN 14 -0.619 3.773 -6.634 96 2HB ASN 14 1HB ASN 14 -1.719 3.763 -5.255 97 1HD2 ASN 14 1HD2 ASN 14 -1.823 6.054 -4.924 98 2HD2 ASN 14 2HD2 ASN 14 -0.473 6.981 -4.479 99 H ARG 15 H ARG 15 -0.821 0.978 -6.687 100 HA ARG 15 HA ARG 15 -2.995 -0.100 -5.128 101 1HB ARG 15 2HB ARG 15 -1.981 -0.341 -7.827 102 2HB ARG 15 1HB ARG 15 -2.443 -1.919 -7.193 103 1HG ARG 15 2HG ARG 15 -4.386 -0.916 -8.251 104 2HG ARG 15 1HG ARG 15 -4.646 -0.932 -6.508 105 1HD ARG 15 2HD ARG 15 -4.708 1.327 -6.398 106 2HD ARG 15 1HD ARG 15 -3.278 1.497 -7.414 107 HE ARG 15 HE ARG 15 -4.718 1.916 -9.214 108 1HH1 ARG 15 1HH2 ARG 15 -6.419 0.097 -6.757 109 2HH1 ARG 15 2HH2 ARG 15 -7.918 0.146 -7.617 110 1HH2 ARG 15 1HH1 ARG 15 -6.677 1.953 -10.291 111 2HH2 ARG 15 2HH1 ARG 15 -8.065 1.184 -9.596 112 H ASP 16 H ASP 16 0.324 -0.750 -5.045 113 HA ASP 16 HA ASP 16 0.106 -3.582 -4.359 114 1HB ASP 16 2HB ASP 16 2.233 -1.612 -4.802 115 2HB ASP 16 1HB ASP 16 2.583 -2.704 -3.465 116 H CYS 17 H CYS 17 -0.750 -0.819 -2.690 117 HA CYS 17 HA CYS 17 0.156 -1.881 -0.063 118 1HB CYS 17 2HB CYS 17 -0.992 0.799 -0.883 119 2HB CYS 17 1HB CYS 17 -0.627 0.352 0.783 120 H CYS 18 H CYS 18 -1.663 -1.203 1.703 121 HA CYS 18 HA CYS 18 -4.071 -2.704 0.876 122 1HB CYS 18 2HB CYS 18 -2.701 -2.082 3.461 123 2HB CYS 18 1HB CYS 18 -4.400 -2.497 3.479 124 H GLU 19 H GLU 19 -6.003 -1.817 2.507 125 HA GLU 19 HA GLU 19 -6.861 0.649 1.346 126 1HB GLU 19 2HB GLU 19 -8.105 -1.363 2.675 127 2HB GLU 19 1HB GLU 19 -8.037 -0.149 3.948 128 1HG GLU 19 2HG GLU 19 -9.256 1.432 2.659 129 2HG GLU 19 1HG GLU 19 -9.015 0.519 1.168 130 H LEU 20 H LEU 20 -5.623 -0.140 4.569 131 HA LEU 20 HA LEU 20 -5.767 2.466 5.689 132 1HB LEU 20 2HB LEU 20 -4.015 1.669 7.268 133 2HB LEU 20 1HB LEU 20 -5.330 0.510 7.076 134 HG LEU 20 HG LEU 20 -3.619 -0.267 5.067 135 1HD1 LEU 20 1HD1 LEU 20 -2.002 1.465 6.164 136 2HD1 LEU 20 2HD1 LEU 20 -1.378 -0.133 5.756 137 3HD1 LEU 20 3HD1 LEU 20 -1.813 0.244 7.422 138 1HD2 LEU 20 1HD2 LEU 20 -4.567 -1.907 6.475 139 2HD2 LEU 20 2HD2 LEU 20 -3.947 -1.140 7.937 140 3HD2 LEU 20 3HD2 LEU 20 -2.847 -1.993 6.855 141 H THR 21 H THR 21 -3.625 1.192 3.295 142 HA THR 21 HA THR 21 -2.069 3.737 3.380 143 HB THR 21 HB THR 21 -0.169 2.229 2.411 144 HG1 THR 21 1HG THR 21 -1.705 0.329 3.846 145 1HG2 THR 21 1HG2 THR 21 -0.996 2.844 5.138 146 2HG2 THR 21 2HG2 THR 21 0.613 2.883 4.420 147 3HG2 THR 21 3HG2 THR 21 -0.026 1.373 5.064 148 HA PRO 22 HA PRO 22 -3.684 3.239 -0.865 149 1HB PRO 22 2HB PRO 22 -4.506 5.827 -1.136 150 2HB PRO 22 1HB PRO 22 -5.466 4.584 -0.321 151 1HG PRO 22 2HG PRO 22 -4.120 6.904 0.823 152 2HG PRO 22 1HG PRO 22 -5.323 5.834 1.557 153 1HD PRO 22 2HD PRO 22 -2.418 5.813 1.882 154 2HD PRO 22 1HD PRO 22 -3.646 4.914 2.801 155 H VAL 23 H VAL 23 -0.930 4.576 0.329 156 HA VAL 23 HA VAL 23 -0.120 5.589 -2.366 157 HB VAL 23 HB VAL 23 0.762 6.728 0.306 158 1HG1 VAL 23 1HG1 VAL 23 1.522 7.203 -2.553 159 2HG1 VAL 23 2HG1 VAL 23 2.538 7.199 -1.111 160 3HG1 VAL 23 3HG1 VAL 23 1.496 8.581 -1.451 161 1HG2 VAL 23 1HG2 VAL 23 -0.827 8.222 -1.750 162 2HG2 VAL 23 2HG2 VAL 23 -0.717 8.493 -0.010 163 3HG2 VAL 23 3HG2 VAL 23 -1.664 7.144 -0.634 164 H CYS 24 H CYS 24 2.030 5.185 -2.931 165 HA CYS 24 HA CYS 24 3.571 3.385 -1.128 166 1HB CYS 24 2HB CYS 24 2.387 1.978 -2.759 167 2HB CYS 24 1HB CYS 24 3.018 2.956 -4.080 168 H LYS 25 H LYS 25 4.958 5.155 -0.685 169 HA LYS 25 HA LYS 25 6.484 6.178 -3.055 170 1HB LYS 25 2HB LYS 25 5.278 7.922 -1.783 171 2HB LYS 25 1HB LYS 25 6.200 7.494 -0.348 172 1HG LYS 25 2HG LYS 25 8.270 8.142 -1.409 173 2HG LYS 25 1HG LYS 25 7.463 8.351 -2.964 174 1HD LYS 25 2HD LYS 25 6.517 9.922 -0.583 175 2HD LYS 25 1HD LYS 25 7.946 10.457 -1.469 176 1HE LYS 25 2HE LYS 25 5.529 9.724 -3.061 177 2HE LYS 25 1HE LYS 25 5.493 11.247 -2.175 178 1HZ LYS 25 1HZ LYS 25 7.837 10.555 -3.814 179 2HZ LYS 25 2HZ LYS 25 7.258 12.087 -3.361 180 3HZ LYS 25 3HZ LYS 25 6.450 11.189 -4.556 181 H ARG 26 H ARG 26 8.667 6.152 -3.003 182 HA ARG 26 HA ARG 26 10.799 5.315 -2.471 183 1HB ARG 26 2HB ARG 26 10.169 6.828 -0.414 184 2HB ARG 26 1HB ARG 26 10.014 5.287 0.428 185 1HG ARG 26 2HG ARG 26 12.277 4.716 0.041 186 2HG ARG 26 1HG ARG 26 12.457 5.944 -1.212 187 1HD ARG 26 2HD ARG 26 11.858 7.611 0.732 188 2HD ARG 26 1HD ARG 26 12.382 6.284 1.770 189 HE ARG 26 HE ARG 26 14.585 6.803 1.166 190 1HH1 ARG 26 1HH2 ARG 26 12.396 7.947 -1.311 191 2HH1 ARG 26 2HH2 ARG 26 13.663 8.671 -2.238 192 1HH2 ARG 26 1HH1 ARG 26 16.193 7.754 -0.066 193 2HH2 ARG 26 2HH1 ARG 26 15.791 8.564 -1.543 194 H GLY 27 H GLY 27 8.487 3.462 -2.859 195 1HA GLY 27 2HA GLY 27 8.123 1.146 -2.775 196 2HA GLY 27 1HA GLY 27 9.790 0.992 -2.216 197 H SER 28 H SER 28 7.334 2.911 -0.573 198 HA SER 28 HA SER 28 7.096 0.849 1.542 199 1HB SER 28 2HB SER 28 7.877 3.740 2.026 200 2HB SER 28 1HB SER 28 7.506 2.563 3.283 201 HG SER 28 HG SER 28 9.283 1.377 2.661 202 H CYS 29 H CYS 29 5.015 0.652 2.091 203 HA CYS 29 HA CYS 29 2.957 2.279 0.931 204 1HB CYS 29 2HB CYS 29 2.946 0.198 3.126 205 2HB CYS 29 1HB CYS 29 1.476 1.011 2.591 206 H VAL 30 H VAL 30 1.683 3.883 1.847 207 HA VAL 30 HA VAL 30 2.111 4.681 4.651 208 HB VAL 30 HB VAL 30 2.604 7.040 3.999 209 1HG1 VAL 30 1HG1 VAL 30 4.601 5.076 2.843 210 2HG1 VAL 30 2HG1 VAL 30 4.400 5.368 4.570 211 3HG1 VAL 30 3HG1 VAL 30 4.945 6.670 3.514 212 1HG2 VAL 30 1HG2 VAL 30 2.430 5.790 1.283 213 2HG2 VAL 30 2HG2 VAL 30 3.608 7.078 1.530 214 3HG2 VAL 30 3HG2 VAL 30 1.896 7.383 1.819 215 H SER 31 H SER 31 0.530 6.409 5.270 216 HA SER 31 HA SER 31 -2.018 6.006 3.801 217 1HB SER 31 2HB SER 31 -1.551 7.330 6.485 218 2HB SER 31 1HB SER 31 -3.101 6.835 5.809 219 HG SER 31 HG SER 31 -2.360 4.685 5.880 220 H SER 32 H SER 32 0.070 7.788 2.742 221 HA SER 32 HA SER 32 -1.503 10.008 1.948 222 1HB SER 32 2HB SER 32 0.064 10.377 4.450 223 2HB SER 32 1HB SER 32 0.168 11.677 3.266 224 HG SER 32 HG SER 32 -1.639 11.647 4.902 Start of MODEL 17 1 1H LEU 1 1HT LEU 1 -14.500 -4.429 2.437 2 2H LEU 1 2HT LEU 1 -14.338 -2.787 2.844 3 3H LEU 1 3HT LEU 1 -13.032 -3.851 3.058 4 HA LEU 1 HA LEU 1 -14.214 -3.386 0.391 5 1HB LEU 1 2HB LEU 1 -12.423 -1.643 2.008 6 2HB LEU 1 1HB LEU 1 -11.972 -1.888 0.321 7 HG LEU 1 HG LEU 1 -14.593 -1.426 -0.026 8 1HD1 LEU 1 1HD1 LEU 1 -13.818 -0.103 2.577 9 2HD1 LEU 1 2HD1 LEU 1 -15.250 -1.071 2.225 10 3HD1 LEU 1 3HD1 LEU 1 -15.096 0.553 1.552 11 1HD2 LEU 1 1HD2 LEU 1 -12.523 0.749 0.428 12 2HD2 LEU 1 2HD2 LEU 1 -13.982 0.894 -0.552 13 3HD2 LEU 1 3HD2 LEU 1 -12.689 -0.196 -1.053 14 H LEU 2 H LEU 2 -13.236 -4.736 -1.044 15 HA LEU 2 HA LEU 2 -11.152 -6.560 -0.109 16 1HB LEU 2 2HB LEU 2 -13.160 -6.795 -1.943 17 2HB LEU 2 1HB LEU 2 -11.794 -6.468 -3.005 18 HG LEU 2 HG LEU 2 -12.049 -8.885 -2.664 19 1HD1 LEU 2 1HD1 LEU 2 -9.762 -7.811 -2.858 20 2HD1 LEU 2 2HD1 LEU 2 -9.777 -9.390 -2.073 21 3HD1 LEU 2 3HD1 LEU 2 -9.640 -7.925 -1.102 22 1HD2 LEU 2 1HD2 LEU 2 -11.221 -9.286 -0.003 23 2HD2 LEU 2 2HD2 LEU 2 -12.825 -9.591 -0.666 24 3HD2 LEU 2 3HD2 LEU 2 -12.467 -8.040 0.090 25 H ALA 3 H ALA 3 -9.847 -4.370 0.250 26 HA ALA 3 HA ALA 3 -8.022 -4.125 -2.095 27 1HB ALA 3 1HB ALA 3 -9.344 -2.128 -2.221 28 2HB ALA 3 2HB ALA 3 -7.810 -1.658 -1.491 29 3HB ALA 3 3HB ALA 3 -9.239 -1.871 -0.480 30 H CYS 4 H CYS 4 -6.902 -5.731 -0.610 31 HA CYS 4 HA CYS 4 -4.743 -4.480 0.761 32 1HB CYS 4 2HB CYS 4 -6.465 -4.003 2.476 33 2HB CYS 4 1HB CYS 4 -6.839 -5.720 2.572 34 H LEU 5 H LEU 5 -3.526 -5.978 -0.404 35 HA LEU 5 HA LEU 5 -3.823 -8.827 0.466 36 1HB LEU 5 2HB LEU 5 -2.941 -9.452 -1.797 37 2HB LEU 5 1HB LEU 5 -4.515 -8.660 -1.860 38 HG LEU 5 HG LEU 5 -2.150 -6.868 -1.986 39 1HD1 LEU 5 1HD1 LEU 5 -2.161 -7.355 -4.553 40 2HD1 LEU 5 2HD1 LEU 5 -2.825 -8.921 -4.084 41 3HD1 LEU 5 3HD1 LEU 5 -1.239 -8.422 -3.492 42 1HD2 LEU 5 1HD2 LEU 5 -4.537 -6.117 -2.136 43 2HD2 LEU 5 2HD2 LEU 5 -4.700 -7.051 -3.623 44 3HD2 LEU 5 3HD2 LEU 5 -3.589 -5.683 -3.559 45 H PHE 6 H PHE 6 -2.135 -6.618 1.539 46 HA PHE 6 HA PHE 6 0.528 -7.895 1.055 47 1HB PHE 6 2HB PHE 6 -0.284 -5.137 0.684 48 2HB PHE 6 1HB PHE 6 0.963 -5.231 1.925 49 HD1 PHE 6 1HD PHE 6 3.216 -5.423 1.305 50 HD2 PHE 6 2HD PHE 6 0.151 -6.488 -1.511 51 HE1 PHE 6 1HE PHE 6 4.939 -5.747 -0.449 52 HE2 PHE 6 2HE PHE 6 1.875 -6.810 -3.265 53 HZ PHE 6 HZ PHE 6 4.268 -6.440 -2.733 54 H GLY 7 H GLY 7 -0.536 -5.367 3.332 55 1HA GLY 7 2HA GLY 7 -0.833 -5.521 5.687 56 2HA GLY 7 1HA GLY 7 -0.430 -7.237 5.598 57 H ASN 8 H ASN 8 1.594 -4.781 4.119 58 HA ASN 8 HA ASN 8 3.528 -4.951 6.371 59 1HB ASN 8 2HB ASN 8 3.845 -6.622 4.254 60 2HB ASN 8 1HB ASN 8 4.707 -5.203 3.657 61 1HD2 ASN 8 1HD2 ASN 8 4.799 -7.811 5.998 62 2HD2 ASN 8 2HD2 ASN 8 6.315 -7.426 6.657 63 H GLY 9 H GLY 9 5.628 -3.575 5.210 64 1HA GLY 9 2HA GLY 9 4.350 -0.981 4.437 65 2HA GLY 9 1HA GLY 9 5.774 -1.078 5.473 66 H ARG 10 H ARG 10 5.531 -3.260 2.765 67 HA ARG 10 HA ARG 10 7.488 -1.572 1.257 68 1HB ARG 10 2HB ARG 10 8.501 -3.766 0.492 69 2HB ARG 10 1HB ARG 10 8.740 -3.405 2.201 70 1HG ARG 10 2HG ARG 10 6.973 -4.907 2.847 71 2HG ARG 10 1HG ARG 10 6.465 -5.120 1.174 72 1HD ARG 10 2HD ARG 10 9.297 -5.756 1.565 73 2HD ARG 10 1HD ARG 10 8.234 -6.762 2.549 74 HE ARG 10 HE ARG 10 7.107 -6.711 -0.030 75 1HH1 ARG 10 1HH2 ARG 10 10.076 -7.770 1.485 76 2HH1 ARG 10 2HH2 ARG 10 10.331 -9.033 0.333 77 1HH2 ARG 10 1HH1 ARG 10 7.476 -8.357 -1.499 78 2HH2 ARG 10 2HH1 ARG 10 8.876 -9.363 -1.339 79 H CYS 11 H CYS 11 6.967 -1.268 -0.884 80 HA CYS 11 HA CYS 11 5.107 -3.146 -2.214 81 1HB CYS 11 2HB CYS 11 3.695 -1.162 -2.978 82 2HB CYS 11 1HB CYS 11 3.491 -1.648 -1.302 83 H SER 12 H SER 12 4.595 -2.117 -4.492 84 HA SER 12 HA SER 12 7.072 -0.889 -5.613 85 1HB SER 12 2HB SER 12 6.994 -3.370 -6.044 86 2HB SER 12 1HB SER 12 5.493 -3.116 -6.929 87 HG SER 12 HG SER 12 6.601 -1.845 -8.388 88 H SER 13 H SER 13 3.967 -0.292 -5.012 89 HA SER 13 HA SER 13 3.656 1.764 -6.936 90 1HB SER 13 2HB SER 13 3.291 0.176 -8.651 91 2HB SER 13 1HB SER 13 2.372 -0.888 -7.592 92 HG SER 13 HG SER 13 1.144 0.461 -9.125 93 H ASN 14 H ASN 14 1.386 2.691 -6.783 94 HA ASN 14 HA ASN 14 0.554 2.894 -4.075 95 1HB ASN 14 2HB ASN 14 -0.548 3.743 -6.711 96 2HB ASN 14 1HB ASN 14 -1.659 3.732 -5.341 97 1HD2 ASN 14 1HD2 ASN 14 -1.768 6.010 -4.974 98 2HD2 ASN 14 2HD2 ASN 14 -0.420 6.942 -4.531 99 H ARG 15 H ARG 15 -0.810 0.962 -6.750 100 HA ARG 15 HA ARG 15 -2.972 -0.097 -5.163 101 1HB ARG 15 2HB ARG 15 -2.014 -0.325 -7.875 102 2HB ARG 15 1HB ARG 15 -2.434 -1.916 -7.246 103 1HG ARG 15 2HG ARG 15 -4.664 -1.392 -7.019 104 2HG ARG 15 1HG ARG 15 -4.339 0.313 -6.701 105 1HD ARG 15 2HD ARG 15 -5.137 0.528 -8.845 106 2HD ARG 15 1HD ARG 15 -3.451 0.186 -9.236 107 HE ARG 15 HE ARG 15 -4.917 -2.273 -8.990 108 1HH1 ARG 15 1HH2 ARG 15 -4.468 0.472 -11.113 109 2HH1 ARG 15 2HH2 ARG 15 -4.884 -0.429 -12.529 110 1HH2 ARG 15 1HH1 ARG 15 -5.448 -3.398 -10.850 111 2HH2 ARG 15 2HH1 ARG 15 -5.434 -2.595 -12.384 112 H ASP 16 H ASP 16 0.337 -0.771 -5.096 113 HA ASP 16 HA ASP 16 0.101 -3.606 -4.420 114 1HB ASP 16 2HB ASP 16 2.240 -1.655 -4.878 115 2HB ASP 16 1HB ASP 16 2.591 -2.748 -3.541 116 H CYS 17 H CYS 17 -0.725 -0.846 -2.740 117 HA CYS 17 HA CYS 17 0.194 -1.915 -0.120 118 1HB CYS 17 2HB CYS 17 -0.948 0.770 -0.929 119 2HB CYS 17 1HB CYS 17 -0.572 0.319 0.734 120 H CYS 18 H CYS 18 -1.638 -1.165 1.643 121 HA CYS 18 HA CYS 18 -4.045 -2.688 0.844 122 1HB CYS 18 2HB CYS 18 -2.642 -2.070 3.399 123 2HB CYS 18 1HB CYS 18 -4.358 -2.399 3.460 124 H GLU 19 H GLU 19 -5.989 -1.784 2.426 125 HA GLU 19 HA GLU 19 -6.828 0.673 1.241 126 1HB GLU 19 2HB GLU 19 -8.086 -1.330 2.571 127 2HB GLU 19 1HB GLU 19 -8.042 -0.101 3.831 128 1HG GLU 19 2HG GLU 19 -8.864 0.772 1.098 129 2HG GLU 19 1HG GLU 19 -10.017 -0.190 2.024 130 H LEU 20 H LEU 20 -5.650 -0.077 4.498 131 HA LEU 20 HA LEU 20 -5.818 2.536 5.589 132 1HB LEU 20 2HB LEU 20 -4.047 1.769 7.178 133 2HB LEU 20 1HB LEU 20 -5.376 0.622 7.019 134 HG LEU 20 HG LEU 20 -3.238 0.177 5.049 135 1HD1 LEU 20 1HD1 LEU 20 -1.552 -0.620 6.560 136 2HD1 LEU 20 2HD1 LEU 20 -2.596 -0.367 7.957 137 3HD1 LEU 20 3HD1 LEU 20 -1.956 1.019 7.073 138 1HD2 LEU 20 1HD2 LEU 20 -3.996 -1.839 7.102 139 2HD2 LEU 20 2HD2 LEU 20 -3.855 -2.015 5.354 140 3HD2 LEU 20 3HD2 LEU 20 -5.292 -1.269 6.052 141 H THR 21 H THR 21 -3.623 1.246 3.248 142 HA THR 21 HA THR 21 -2.101 3.814 3.319 143 HB THR 21 HB THR 21 -0.107 2.421 2.543 144 HG1 THR 21 1HG THR 21 -0.244 0.214 3.071 145 1HG2 THR 21 1HG2 THR 21 -0.612 3.286 4.930 146 2HG2 THR 21 2HG2 THR 21 0.593 2.010 4.756 147 3HG2 THR 21 3HG2 THR 21 -1.039 1.614 5.293 148 HA PRO 22 HA PRO 22 -3.638 3.168 -0.942 149 1HB PRO 22 2HB PRO 22 -4.496 5.730 -1.312 150 2HB PRO 22 1HB PRO 22 -5.460 4.489 -0.499 151 1HG PRO 22 2HG PRO 22 -4.161 6.854 0.630 152 2HG PRO 22 1HG PRO 22 -5.421 5.827 1.324 153 1HD PRO 22 2HD PRO 22 -2.573 5.805 1.879 154 2HD PRO 22 1HD PRO 22 -3.858 4.860 2.666 155 H VAL 23 H VAL 23 -0.922 4.547 0.268 156 HA VAL 23 HA VAL 23 -0.097 5.543 -2.433 157 HB VAL 23 HB VAL 23 0.830 6.675 0.222 158 1HG1 VAL 23 1HG1 VAL 23 2.496 6.897 -1.540 159 2HG1 VAL 23 2HG1 VAL 23 1.748 8.471 -1.266 160 3HG1 VAL 23 3HG1 VAL 23 1.276 7.502 -2.661 161 1HG2 VAL 23 1HG2 VAL 23 -0.463 8.716 -0.884 162 2HG2 VAL 23 2HG2 VAL 23 -1.309 7.535 0.114 163 3HG2 VAL 23 3HG2 VAL 23 -1.379 7.415 -1.644 164 H CYS 24 H CYS 24 2.053 5.143 -2.995 165 HA CYS 24 HA CYS 24 3.603 3.346 -1.196 166 1HB CYS 24 2HB CYS 24 2.414 1.932 -2.820 167 2HB CYS 24 1HB CYS 24 3.034 2.909 -4.144 168 H LYS 25 H LYS 25 4.991 5.121 -0.768 169 HA LYS 25 HA LYS 25 6.502 6.136 -3.151 170 1HB LYS 25 2HB LYS 25 5.295 7.888 -1.896 171 2HB LYS 25 1HB LYS 25 6.204 7.468 -0.450 172 1HG LYS 25 2HG LYS 25 8.094 8.509 -1.189 173 2HG LYS 25 1HG LYS 25 7.852 7.976 -2.852 174 1HD LYS 25 2HD LYS 25 7.584 10.357 -2.870 175 2HD LYS 25 1HD LYS 25 5.960 9.678 -2.990 176 1HE LYS 25 2HE LYS 25 5.546 11.143 -1.278 177 2HE LYS 25 1HE LYS 25 6.180 9.817 -0.302 178 1HZ LYS 25 1HZ LYS 25 7.417 11.632 0.380 179 2HZ LYS 25 2HZ LYS 25 7.544 12.279 -1.186 180 3HZ LYS 25 3HZ LYS 25 8.439 10.900 -0.758 181 H ARG 26 H ARG 26 8.705 6.142 -3.072 182 HA ARG 26 HA ARG 26 10.834 5.313 -2.532 183 1HB ARG 26 2HB ARG 26 9.958 6.725 -0.370 184 2HB ARG 26 1HB ARG 26 10.227 5.145 0.357 185 1HG ARG 26 2HG ARG 26 12.285 6.520 -1.384 186 2HG ARG 26 1HG ARG 26 12.240 6.703 0.369 187 1HD ARG 26 2HD ARG 26 12.550 4.095 -1.147 188 2HD ARG 26 1HD ARG 26 13.810 4.926 -0.236 189 HE ARG 26 HE ARG 26 11.688 4.511 1.563 190 1HH1 ARG 26 1HH2 ARG 26 13.854 2.566 -0.376 191 2HH1 ARG 26 2HH2 ARG 26 13.810 1.236 0.729 192 1HH2 ARG 26 1HH1 ARG 26 11.661 2.768 2.964 193 2HH2 ARG 26 2HH1 ARG 26 12.583 1.347 2.600 194 H GLY 27 H GLY 27 8.551 3.453 -2.971 195 1HA GLY 27 2HA GLY 27 8.171 1.140 -2.894 196 2HA GLY 27 1HA GLY 27 9.838 0.980 -2.337 197 H SER 28 H SER 28 7.387 2.883 -0.667 198 HA SER 28 HA SER 28 7.141 0.794 1.420 199 1HB SER 28 2HB SER 28 8.327 3.527 1.728 200 2HB SER 28 1HB SER 28 7.361 2.879 3.050 201 HG SER 28 HG SER 28 9.133 1.859 3.540 202 H CYS 29 H CYS 29 5.066 0.614 1.995 203 HA CYS 29 HA CYS 29 3.007 2.247 0.849 204 1HB CYS 29 2HB CYS 29 3.002 0.179 3.059 205 2HB CYS 29 1HB CYS 29 1.532 0.991 2.520 206 H VAL 30 H VAL 30 1.737 3.851 1.778 207 HA VAL 30 HA VAL 30 2.200 4.659 4.570 208 HB VAL 30 HB VAL 30 2.686 7.019 3.906 209 1HG1 VAL 30 1HG1 VAL 30 4.448 5.170 4.375 210 2HG1 VAL 30 2HG1 VAL 30 4.994 6.660 3.607 211 3HG1 VAL 30 3HG1 VAL 30 4.736 5.212 2.635 212 1HG2 VAL 30 1HG2 VAL 30 2.497 5.757 1.196 213 2HG2 VAL 30 2HG2 VAL 30 3.668 7.053 1.432 214 3HG2 VAL 30 3HG2 VAL 30 1.956 7.348 1.731 215 H SER 31 H SER 31 0.538 6.109 5.329 216 HA SER 31 HA SER 31 -1.961 5.883 3.753 217 1HB SER 31 2HB SER 31 -1.871 7.075 6.496 218 2HB SER 31 1HB SER 31 -3.106 6.058 5.760 219 HG SER 31 HG SER 31 -1.998 4.314 6.286 220 H SER 32 H SER 32 -0.160 7.711 2.674 221 HA SER 32 HA SER 32 0.032 9.935 1.979 222 1HB SER 32 2HB SER 32 -1.991 11.024 1.536 223 2HB SER 32 1HB SER 32 -2.482 9.338 1.608 224 HG SER 32 HG SER 32 -3.793 9.991 3.110 Start of MODEL 18 1 1H LEU 1 1HT LEU 1 -11.924 -2.178 5.307 2 2H LEU 1 2HT LEU 1 -10.661 -2.624 4.262 3 3H LEU 1 3HT LEU 1 -11.472 -3.807 5.172 4 HA LEU 1 HA LEU 1 -13.474 -3.514 3.941 5 1HB LEU 1 2HB LEU 1 -11.942 -1.174 2.809 6 2HB LEU 1 1HB LEU 1 -13.292 -1.889 1.929 7 HG LEU 1 HG LEU 1 -13.597 -1.115 4.823 8 1HD1 LEU 1 1HD1 LEU 1 -13.596 0.655 2.393 9 2HD1 LEU 1 2HD1 LEU 1 -12.936 0.971 3.997 10 3HD1 LEU 1 3HD1 LEU 1 -14.679 1.015 3.738 11 1HD2 LEU 1 1HD2 LEU 1 -15.488 -1.363 2.461 12 2HD2 LEU 1 2HD2 LEU 1 -15.968 -0.871 4.085 13 3HD2 LEU 1 3HD2 LEU 1 -15.344 -2.497 3.804 14 H LEU 2 H LEU 2 -13.545 -3.798 1.304 15 HA LEU 2 HA LEU 2 -11.813 -6.067 0.790 16 1HB LEU 2 2HB LEU 2 -14.232 -5.571 -0.091 17 2HB LEU 2 1HB LEU 2 -13.394 -4.668 -1.354 18 HG LEU 2 HG LEU 2 -11.925 -6.882 -1.475 19 1HD1 LEU 2 1HD1 LEU 2 -12.807 -8.279 0.152 20 2HD1 LEU 2 2HD1 LEU 2 -13.781 -8.767 -1.235 21 3HD1 LEU 2 3HD1 LEU 2 -14.442 -7.647 -0.044 22 1HD2 LEU 2 1HD2 LEU 2 -13.920 -7.754 -3.040 23 2HD2 LEU 2 2HD2 LEU 2 -12.953 -6.344 -3.471 24 3HD2 LEU 2 3HD2 LEU 2 -14.534 -6.133 -2.719 25 H ALA 3 H ALA 3 -9.765 -4.785 1.105 26 HA ALA 3 HA ALA 3 -8.501 -4.236 -1.400 27 1HB ALA 3 1HB ALA 3 -8.090 -1.697 -0.631 28 2HB ALA 3 2HB ALA 3 -9.698 -1.921 0.055 29 3HB ALA 3 3HB ALA 3 -9.438 -2.147 -1.675 30 H CYS 4 H CYS 4 -7.140 -5.749 -0.147 31 HA CYS 4 HA CYS 4 -4.872 -4.490 1.011 32 1HB CYS 4 2HB CYS 4 -6.398 -4.101 2.928 33 2HB CYS 4 1HB CYS 4 -6.720 -5.829 3.014 34 H LEU 5 H LEU 5 -3.726 -5.918 -0.282 35 HA LEU 5 HA LEU 5 -3.931 -8.809 0.465 36 1HB LEU 5 2HB LEU 5 -3.199 -9.306 -1.882 37 2HB LEU 5 1HB LEU 5 -4.781 -8.531 -1.794 38 HG LEU 5 HG LEU 5 -2.433 -6.716 -1.994 39 1HD1 LEU 5 1HD1 LEU 5 -1.944 -7.133 -4.241 40 2HD1 LEU 5 2HD1 LEU 5 -3.464 -7.984 -4.517 41 3HD1 LEU 5 3HD1 LEU 5 -2.164 -8.768 -3.616 42 1HD2 LEU 5 1HD2 LEU 5 -5.303 -6.841 -2.790 43 2HD2 LEU 5 2HD2 LEU 5 -4.235 -5.891 -3.824 44 3HD2 LEU 5 3HD2 LEU 5 -4.384 -5.497 -2.112 45 H PHE 6 H PHE 6 -2.166 -6.618 1.505 46 HA PHE 6 HA PHE 6 0.453 -7.859 0.773 47 1HB PHE 6 2HB PHE 6 -0.401 -5.052 0.789 48 2HB PHE 6 1HB PHE 6 1.061 -5.322 1.735 49 HD1 PHE 6 1HD PHE 6 3.109 -5.294 0.621 50 HD2 PHE 6 2HD PHE 6 -0.447 -6.333 -1.553 51 HE1 PHE 6 1HE PHE 6 4.432 -5.446 -1.471 52 HE2 PHE 6 2HE PHE 6 0.877 -6.486 -3.645 53 HZ PHE 6 HZ PHE 6 3.316 -6.042 -3.604 54 H GLY 7 H GLY 7 -0.504 -5.514 3.287 55 1HA GLY 7 2HA GLY 7 -0.620 -5.821 5.639 56 2HA GLY 7 1HA GLY 7 -0.226 -7.525 5.407 57 H ASN 8 H ASN 8 1.695 -4.962 3.975 58 HA ASN 8 HA ASN 8 3.770 -5.260 6.079 59 1HB ASN 8 2HB ASN 8 3.962 -6.190 3.256 60 2HB ASN 8 1HB ASN 8 5.372 -5.360 3.916 61 1HD2 ASN 8 1HD2 ASN 8 3.080 -8.014 4.760 62 2HD2 ASN 8 2HD2 ASN 8 4.231 -8.939 5.596 63 H GLY 9 H GLY 9 5.734 -3.725 5.259 64 1HA GLY 9 2HA GLY 9 4.424 -1.147 4.508 65 2HA GLY 9 1HA GLY 9 5.865 -1.270 5.515 66 H ARG 10 H ARG 10 5.644 -3.337 2.728 67 HA ARG 10 HA ARG 10 7.525 -1.533 1.257 68 1HB ARG 10 2HB ARG 10 7.626 -4.565 1.322 69 2HB ARG 10 1HB ARG 10 8.777 -3.487 0.530 70 1HG ARG 10 2HG ARG 10 8.879 -2.465 3.021 71 2HG ARG 10 1HG ARG 10 8.464 -4.132 3.419 72 1HD ARG 10 2HD ARG 10 10.897 -3.889 3.356 73 2HD ARG 10 1HD ARG 10 10.370 -4.910 2.019 74 HE ARG 10 HE ARG 10 10.424 -2.323 0.972 75 1HH1 ARG 10 1HH2 ARG 10 12.714 -4.475 2.508 76 2HH1 ARG 10 2HH2 ARG 10 14.063 -3.807 1.659 77 1HH2 ARG 10 1HH1 ARG 10 12.198 -1.489 -0.104 78 2HH2 ARG 10 2HH1 ARG 10 13.777 -2.134 0.195 79 H CYS 11 H CYS 11 6.982 -1.192 -0.877 80 HA CYS 11 HA CYS 11 5.148 -3.078 -2.234 81 1HB CYS 11 2HB CYS 11 3.686 -1.109 -2.935 82 2HB CYS 11 1HB CYS 11 3.513 -1.632 -1.267 83 H SER 12 H SER 12 4.593 -1.993 -4.483 84 HA SER 12 HA SER 12 7.032 -0.681 -5.588 85 1HB SER 12 2HB SER 12 6.393 -2.187 -7.685 86 2HB SER 12 1HB SER 12 7.434 -2.808 -6.408 87 HG SER 12 HG SER 12 4.735 -3.335 -6.961 88 H SER 13 H SER 13 3.916 -0.179 -4.968 89 HA SER 13 HA SER 13 3.548 1.904 -6.854 90 1HB SER 13 2HB SER 13 3.217 0.334 -8.594 91 2HB SER 13 1HB SER 13 2.323 -0.765 -7.551 92 HG SER 13 HG SER 13 1.056 0.569 -9.056 93 H ASN 14 H ASN 14 1.249 2.764 -6.689 94 HA ASN 14 HA ASN 14 0.417 2.918 -3.979 95 1HB ASN 14 2HB ASN 14 -0.770 3.713 -6.604 96 2HB ASN 14 1HB ASN 14 -1.809 3.734 -5.180 97 1HD2 ASN 14 1HD2 ASN 14 -1.885 6.098 -5.145 98 2HD2 ASN 14 2HD2 ASN 14 -0.535 7.015 -4.680 99 H ARG 15 H ARG 15 -0.888 0.963 -6.665 100 HA ARG 15 HA ARG 15 -3.022 -0.167 -5.091 101 1HB ARG 15 2HB ARG 15 -2.062 -0.339 -7.801 102 2HB ARG 15 1HB ARG 15 -2.416 -1.954 -7.192 103 1HG ARG 15 2HG ARG 15 -4.650 -1.054 -6.400 104 2HG ARG 15 1HG ARG 15 -4.289 0.424 -7.292 105 1HD ARG 15 2HD ARG 15 -5.534 -0.860 -8.831 106 2HD ARG 15 1HD ARG 15 -3.861 -1.145 -9.310 107 HE ARG 15 HE ARG 15 -4.509 -3.156 -7.448 108 1HH1 ARG 15 1HH2 ARG 15 -5.572 -2.101 -10.608 109 2HH1 ARG 15 2HH2 ARG 15 -6.059 -3.690 -11.085 110 1HH2 ARG 15 1HH1 ARG 15 -5.151 -5.195 -8.106 111 2HH2 ARG 15 2HH1 ARG 15 -5.824 -5.424 -9.685 112 H ASP 16 H ASP 16 0.304 -0.757 -5.016 113 HA ASP 16 HA ASP 16 0.136 -3.601 -4.365 114 1HB ASP 16 2HB ASP 16 2.231 -1.585 -4.776 115 2HB ASP 16 1HB ASP 16 2.599 -2.708 -3.468 116 H CYS 17 H CYS 17 -0.761 -0.872 -2.666 117 HA CYS 17 HA CYS 17 0.141 -1.969 -0.049 118 1HB CYS 17 2HB CYS 17 -0.969 0.739 -0.829 119 2HB CYS 17 1HB CYS 17 -0.577 0.266 0.824 120 H CYS 18 H CYS 18 -1.678 -1.243 1.713 121 HA CYS 18 HA CYS 18 -4.098 -2.718 0.890 122 1HB CYS 18 2HB CYS 18 -2.794 -2.006 3.496 123 2HB CYS 18 1HB CYS 18 -4.478 -2.483 3.458 124 H GLU 19 H GLU 19 -6.060 -1.776 2.418 125 HA GLU 19 HA GLU 19 -6.852 0.677 1.197 126 1HB GLU 19 2HB GLU 19 -8.158 -1.295 2.519 127 2HB GLU 19 1HB GLU 19 -8.114 -0.062 3.774 128 1HG GLU 19 2HG GLU 19 -8.888 0.802 1.023 129 2HG GLU 19 1HG GLU 19 -10.068 -0.126 1.950 130 H LEU 20 H LEU 20 -5.753 -0.048 4.488 131 HA LEU 20 HA LEU 20 -5.902 2.578 5.543 132 1HB LEU 20 2HB LEU 20 -4.171 1.812 7.174 133 2HB LEU 20 1HB LEU 20 -5.508 0.676 7.002 134 HG LEU 20 HG LEU 20 -3.336 0.183 5.081 135 1HD1 LEU 20 1HD1 LEU 20 -2.680 -0.555 7.915 136 2HD1 LEU 20 2HD1 LEU 20 -2.245 1.049 7.325 137 3HD1 LEU 20 3HD1 LEU 20 -1.604 -0.388 6.527 138 1HD2 LEU 20 1HD2 LEU 20 -4.767 -1.614 5.222 139 2HD2 LEU 20 2HD2 LEU 20 -5.153 -1.307 6.915 140 3HD2 LEU 20 3HD2 LEU 20 -3.638 -2.100 6.486 141 H THR 21 H THR 21 -3.671 1.222 3.270 142 HA THR 21 HA THR 21 -2.112 3.769 3.345 143 HB THR 21 HB THR 21 -0.162 2.306 2.526 144 HG1 THR 21 1HG THR 21 -1.779 0.304 3.710 145 1HG2 THR 21 1HG2 THR 21 -0.154 3.256 4.753 146 2HG2 THR 21 2HG2 THR 21 0.376 1.578 4.866 147 3HG2 THR 21 3HG2 THR 21 -1.268 2.015 5.330 148 HA PRO 22 HA PRO 22 -3.668 3.178 -0.920 149 1HB PRO 22 2HB PRO 22 -4.527 5.746 -1.255 150 2HB PRO 22 1HB PRO 22 -5.491 4.492 -0.462 151 1HG PRO 22 2HG PRO 22 -4.193 6.841 0.705 152 2HG PRO 22 1HG PRO 22 -5.457 5.804 1.380 153 1HD PRO 22 2HD PRO 22 -2.613 5.772 1.947 154 2HD PRO 22 1HD PRO 22 -3.900 4.812 2.710 155 H VAL 23 H VAL 23 -0.951 4.529 0.306 156 HA VAL 23 HA VAL 23 -0.117 5.562 -2.376 157 HB VAL 23 HB VAL 23 0.804 6.664 0.296 158 1HG1 VAL 23 1HG1 VAL 23 1.238 7.590 -2.562 159 2HG1 VAL 23 2HG1 VAL 23 2.456 6.854 -1.521 160 3HG1 VAL 23 3HG1 VAL 23 1.795 8.440 -1.120 161 1HG2 VAL 23 1HG2 VAL 23 -0.470 8.724 -0.812 162 2HG2 VAL 23 2HG2 VAL 23 -1.323 7.550 0.190 163 3HG2 VAL 23 3HG2 VAL 23 -1.398 7.430 -1.568 164 H CYS 24 H CYS 24 2.049 5.189 -2.915 165 HA CYS 24 HA CYS 24 3.574 3.362 -1.129 166 1HB CYS 24 2HB CYS 24 2.416 1.968 -2.795 167 2HB CYS 24 1HB CYS 24 3.060 2.965 -4.096 168 H LYS 25 H LYS 25 4.958 5.103 -0.640 169 HA LYS 25 HA LYS 25 6.505 6.188 -2.968 170 1HB LYS 25 2HB LYS 25 5.204 7.887 -1.718 171 2HB LYS 25 1HB LYS 25 6.112 7.488 -0.265 172 1HG LYS 25 2HG LYS 25 8.198 8.147 -1.368 173 2HG LYS 25 1HG LYS 25 7.325 8.471 -2.866 174 1HD LYS 25 2HD LYS 25 6.836 9.893 -0.230 175 2HD LYS 25 1HD LYS 25 7.765 10.552 -1.576 176 1HE LYS 25 2HE LYS 25 5.761 11.445 -2.203 177 2HE LYS 25 1HE LYS 25 5.458 9.834 -2.851 178 1HZ LYS 25 1HZ LYS 25 4.646 9.344 -0.470 179 2HZ LYS 25 2HZ LYS 25 3.628 10.200 -1.527 180 3HZ LYS 25 3HZ LYS 25 4.508 11.029 -0.334 181 H ARG 26 H ARG 26 8.701 6.252 -2.817 182 HA ARG 26 HA ARG 26 10.835 5.485 -2.190 183 1HB ARG 26 2HB ARG 26 10.036 6.887 -0.111 184 2HB ARG 26 1HB ARG 26 9.889 5.306 0.656 185 1HG ARG 26 2HG ARG 26 12.218 4.808 0.212 186 2HG ARG 26 1HG ARG 26 12.393 6.283 -0.739 187 1HD ARG 26 2HD ARG 26 12.563 7.608 1.110 188 2HD ARG 26 1HD ARG 26 11.364 6.678 2.009 189 HE ARG 26 HE ARG 26 13.819 5.183 1.668 190 1HH1 ARG 26 1HH2 ARG 26 12.295 7.714 3.541 191 2HH1 ARG 26 2HH2 ARG 26 13.305 7.442 4.917 192 1HH2 ARG 26 1HH1 ARG 26 15.104 4.866 3.472 193 2HH2 ARG 26 2HH1 ARG 26 14.879 5.848 4.881 194 H GLY 27 H GLY 27 8.596 3.581 -2.771 195 1HA GLY 27 2HA GLY 27 8.288 1.257 -2.795 196 2HA GLY 27 1HA GLY 27 9.941 1.124 -2.189 197 H SER 28 H SER 28 7.424 2.921 -0.512 198 HA SER 28 HA SER 28 7.133 0.739 1.467 199 1HB SER 28 2HB SER 28 8.018 3.572 2.077 200 2HB SER 28 1HB SER 28 7.435 2.447 3.301 201 HG SER 28 HG SER 28 9.422 1.769 3.328 202 H CYS 29 H CYS 29 5.062 0.561 2.073 203 HA CYS 29 HA CYS 29 3.003 2.182 0.909 204 1HB CYS 29 2HB CYS 29 2.998 0.116 3.118 205 2HB CYS 29 1HB CYS 29 1.526 0.928 2.587 206 H VAL 30 H VAL 30 1.778 3.834 1.792 207 HA VAL 30 HA VAL 30 2.193 4.642 4.596 208 HB VAL 30 HB VAL 30 2.708 7.007 3.877 209 1HG1 VAL 30 1HG1 VAL 30 5.081 6.576 3.547 210 2HG1 VAL 30 2HG1 VAL 30 4.740 4.932 3.007 211 3HG1 VAL 30 3HG1 VAL 30 4.437 5.389 4.682 212 1HG2 VAL 30 1HG2 VAL 30 2.311 5.789 1.271 213 2HG2 VAL 30 2HG2 VAL 30 3.922 6.499 1.372 214 3HG2 VAL 30 3HG2 VAL 30 2.500 7.493 1.681 215 H SER 31 H SER 31 0.676 6.444 5.172 216 HA SER 31 HA SER 31 -1.898 6.057 3.767 217 1HB SER 31 2HB SER 31 -1.368 7.635 6.295 218 2HB SER 31 1HB SER 31 -2.917 7.024 5.719 219 HG SER 31 HG SER 31 -2.012 5.673 7.322 220 H SER 32 H SER 32 -0.128 7.511 2.211 221 HA SER 32 HA SER 32 0.029 9.512 1.000 222 1HB SER 32 2HB SER 32 -2.501 9.181 1.020 223 2HB SER 32 1HB SER 32 -2.548 10.302 2.377 224 HG SER 32 HG SER 32 -2.302 11.870 1.009 Start of MODEL 19 1 1H LEU 1 1HT LEU 1 -16.268 -6.155 -3.366 2 2H LEU 1 2HT LEU 1 -15.246 -7.105 -2.395 3 3H LEU 1 3HT LEU 1 -15.106 -7.159 -4.087 4 HA LEU 1 HA LEU 1 -14.104 -5.103 -4.230 5 1HB LEU 1 2HB LEU 1 -15.908 -4.070 -2.749 6 2HB LEU 1 1HB LEU 1 -14.909 -4.527 -1.369 7 HG LEU 1 HG LEU 1 -13.568 -3.069 -3.598 8 1HD1 LEU 1 1HD1 LEU 1 -15.245 -1.498 -3.533 9 2HD1 LEU 1 2HD1 LEU 1 -14.344 -0.962 -2.114 10 3HD1 LEU 1 3HD1 LEU 1 -15.772 -1.977 -1.919 11 1HD2 LEU 1 1HD2 LEU 1 -12.618 -1.945 -1.428 12 2HD2 LEU 1 2HD2 LEU 1 -12.129 -3.593 -1.820 13 3HD2 LEU 1 3HD2 LEU 1 -13.373 -3.308 -0.604 14 H LEU 2 H LEU 2 -11.912 -5.119 -3.992 15 HA LEU 2 HA LEU 2 -10.751 -6.362 -1.543 16 1HB LEU 2 2HB LEU 2 -9.079 -7.524 -2.993 17 2HB LEU 2 1HB LEU 2 -10.723 -8.106 -3.244 18 HG LEU 2 HG LEU 2 -10.418 -5.932 -5.028 19 1HD1 LEU 2 1HD1 LEU 2 -8.398 -6.221 -6.167 20 2HD1 LEU 2 2HD1 LEU 2 -8.149 -7.840 -5.516 21 3HD1 LEU 2 3HD1 LEU 2 -7.901 -6.429 -4.488 22 1HD2 LEU 2 1HD2 LEU 2 -11.604 -8.245 -5.200 23 2HD2 LEU 2 2HD2 LEU 2 -10.056 -8.820 -5.819 24 3HD2 LEU 2 3HD2 LEU 2 -10.928 -7.544 -6.669 25 H ALA 3 H ALA 3 -9.416 -4.871 -0.656 26 HA ALA 3 HA ALA 3 -7.661 -3.275 -2.447 27 1HB ALA 3 1HB ALA 3 -9.058 -1.923 -0.148 28 2HB ALA 3 2HB ALA 3 -9.845 -2.037 -1.722 29 3HB ALA 3 3HB ALA 3 -8.303 -1.195 -1.565 30 H CYS 4 H CYS 4 -6.897 -5.487 -0.902 31 HA CYS 4 HA CYS 4 -4.738 -4.406 0.619 32 1HB CYS 4 2HB CYS 4 -6.533 -3.876 2.236 33 2HB CYS 4 1HB CYS 4 -7.003 -5.572 2.263 34 H LEU 5 H LEU 5 -3.558 -5.925 -0.542 35 HA LEU 5 HA LEU 5 -3.996 -8.770 0.273 36 1HB LEU 5 2HB LEU 5 -3.095 -9.404 -1.985 37 2HB LEU 5 1HB LEU 5 -4.643 -8.563 -2.065 38 HG LEU 5 HG LEU 5 -2.216 -6.848 -2.135 39 1HD1 LEU 5 1HD1 LEU 5 -3.077 -8.473 -4.546 40 2HD1 LEU 5 2HD1 LEU 5 -1.630 -8.806 -3.593 41 3HD1 LEU 5 3HD1 LEU 5 -1.772 -7.289 -4.482 42 1HD2 LEU 5 1HD2 LEU 5 -4.773 -6.934 -3.771 43 2HD2 LEU 5 2HD2 LEU 5 -3.596 -5.620 -3.754 44 3HD2 LEU 5 3HD2 LEU 5 -4.541 -5.976 -2.308 45 H PHE 6 H PHE 6 -2.238 -6.583 1.348 46 HA PHE 6 HA PHE 6 0.368 -7.993 0.957 47 1HB PHE 6 2HB PHE 6 -0.324 -5.199 0.484 48 2HB PHE 6 1HB PHE 6 0.984 -5.346 1.655 49 HD1 PHE 6 1HD PHE 6 -0.112 -6.378 -1.752 50 HD2 PHE 6 2HD PHE 6 3.177 -5.975 0.979 51 HE1 PHE 6 1HE PHE 6 1.476 -6.872 -3.592 52 HE2 PHE 6 2HE PHE 6 4.766 -6.469 -0.860 53 HZ PHE 6 HZ PHE 6 3.915 -6.918 -3.145 54 H GLY 7 H GLY 7 -0.559 -5.277 3.071 55 1HA GLY 7 2HA GLY 7 -0.898 -5.283 5.428 56 2HA GLY 7 1HA GLY 7 -0.589 -7.020 5.441 57 H ASN 8 H ASN 8 1.559 -4.706 3.890 58 HA ASN 8 HA ASN 8 3.483 -4.933 6.151 59 1HB ASN 8 2HB ASN 8 3.812 -5.999 3.385 60 2HB ASN 8 1HB ASN 8 5.208 -5.194 4.102 61 1HD2 ASN 8 1HD2 ASN 8 6.479 -7.054 4.597 62 2HD2 ASN 8 2HD2 ASN 8 5.972 -8.264 5.674 63 H GLY 9 H GLY 9 5.560 -3.524 5.343 64 1HA GLY 9 2HA GLY 9 4.392 -0.926 4.443 65 2HA GLY 9 1HA GLY 9 5.799 -1.071 5.495 66 H ARG 10 H ARG 10 5.583 -3.251 2.804 67 HA ARG 10 HA ARG 10 7.571 -1.590 1.305 68 1HB ARG 10 2HB ARG 10 7.512 -4.619 1.493 69 2HB ARG 10 1HB ARG 10 8.733 -3.637 0.681 70 1HG ARG 10 2HG ARG 10 8.970 -2.509 3.054 71 2HG ARG 10 1HG ARG 10 8.259 -4.021 3.618 72 1HD ARG 10 2HD ARG 10 10.106 -5.254 3.066 73 2HD ARG 10 1HD ARG 10 10.460 -4.278 1.640 74 HE ARG 10 HE ARG 10 10.992 -2.593 3.791 75 1HH1 ARG 10 1HH2 ARG 10 12.087 -5.746 2.748 76 2HH1 ARG 10 2HH2 ARG 10 13.645 -5.555 3.471 77 1HH2 ARG 10 1HH1 ARG 10 13.021 -2.388 4.710 78 2HH2 ARG 10 2HH1 ARG 10 14.171 -3.676 4.569 79 H CYS 11 H CYS 11 7.008 -1.236 -0.818 80 HA CYS 11 HA CYS 11 5.182 -3.131 -2.174 81 1HB CYS 11 2HB CYS 11 3.725 -1.178 -2.906 82 2HB CYS 11 1HB CYS 11 3.552 -1.660 -1.225 83 H SER 12 H SER 12 4.654 -2.104 -4.436 84 HA SER 12 HA SER 12 7.096 -0.802 -5.552 85 1HB SER 12 2HB SER 12 5.870 -3.403 -6.272 86 2HB SER 12 1HB SER 12 6.303 -2.367 -7.629 87 HG SER 12 HG SER 12 8.326 -2.754 -7.225 88 H SER 13 H SER 13 3.961 -0.311 -4.951 89 HA SER 13 HA SER 13 3.609 1.766 -6.852 90 1HB SER 13 2HB SER 13 3.278 0.192 -8.583 91 2HB SER 13 1HB SER 13 2.401 -0.914 -7.533 92 HG SER 13 HG SER 13 1.564 1.540 -8.660 93 H ASN 14 H ASN 14 1.317 2.640 -6.686 94 HA ASN 14 HA ASN 14 0.482 2.797 -3.978 95 1HB ASN 14 2HB ASN 14 -0.614 3.661 -6.604 96 2HB ASN 14 1HB ASN 14 -1.760 3.572 -5.266 97 1HD2 ASN 14 1HD2 ASN 14 -1.981 5.755 -4.652 98 2HD2 ASN 14 2HD2 ASN 14 -0.680 6.760 -4.229 99 H ARG 15 H ARG 15 -0.773 0.805 -6.653 100 HA ARG 15 HA ARG 15 -2.942 -0.296 -5.102 101 1HB ARG 15 2HB ARG 15 -1.869 -0.585 -7.786 102 2HB ARG 15 1HB ARG 15 -2.390 -2.132 -7.125 103 1HG ARG 15 2HG ARG 15 -4.363 -1.310 -8.086 104 2HG ARG 15 1HG ARG 15 -4.530 -0.811 -6.402 105 1HD ARG 15 2HD ARG 15 -3.095 1.076 -8.196 106 2HD ARG 15 1HD ARG 15 -4.830 0.904 -8.469 107 HE ARG 15 HE ARG 15 -3.590 2.216 -6.202 108 1HH1 ARG 15 1HH2 ARG 15 -6.358 0.324 -7.203 109 2HH1 ARG 15 2HH2 ARG 15 -7.368 0.956 -5.951 110 1HH2 ARG 15 1HH1 ARG 15 -4.934 3.006 -4.597 111 2HH2 ARG 15 2HH1 ARG 15 -6.573 2.457 -4.491 112 H ASP 16 H ASP 16 0.391 -0.904 -5.029 113 HA ASP 16 HA ASP 16 0.211 -3.720 -4.285 114 1HB ASP 16 2HB ASP 16 2.313 -1.728 -4.758 115 2HB ASP 16 1HB ASP 16 2.676 -2.802 -3.410 116 H CYS 17 H CYS 17 -0.669 -0.932 -2.660 117 HA CYS 17 HA CYS 17 0.241 -1.952 -0.018 118 1HB CYS 17 2HB CYS 17 -0.925 0.713 -0.863 119 2HB CYS 17 1HB CYS 17 -0.537 0.284 0.802 120 H CYS 18 H CYS 18 -1.642 -1.119 1.700 121 HA CYS 18 HA CYS 18 -4.040 -2.655 0.869 122 1HB CYS 18 2HB CYS 18 -2.579 -2.211 3.414 123 2HB CYS 18 1HB CYS 18 -4.312 -2.426 3.520 124 H GLU 19 H GLU 19 -5.953 -1.801 2.525 125 HA GLU 19 HA GLU 19 -6.817 0.687 1.435 126 1HB GLU 19 2HB GLU 19 -8.053 -1.328 2.741 127 2HB GLU 19 1HB GLU 19 -7.931 -0.159 4.052 128 1HG GLU 19 2HG GLU 19 -8.849 0.872 1.411 129 2HG GLU 19 1HG GLU 19 -9.979 -0.138 2.312 130 H LEU 20 H LEU 20 -5.577 -0.121 4.658 131 HA LEU 20 HA LEU 20 -5.691 2.467 5.796 132 1HB LEU 20 2HB LEU 20 -3.842 1.663 7.294 133 2HB LEU 20 1HB LEU 20 -5.207 0.554 7.192 134 HG LEU 20 HG LEU 20 -3.201 0.052 5.109 135 1HD1 LEU 20 1HD1 LEU 20 -1.863 0.896 7.180 136 2HD1 LEU 20 2HD1 LEU 20 -1.379 -0.624 6.429 137 3HD1 LEU 20 3HD1 LEU 20 -2.336 -0.637 7.911 138 1HD2 LEU 20 1HD2 LEU 20 -4.874 -1.429 7.081 139 2HD2 LEU 20 2HD2 LEU 20 -3.408 -2.236 6.523 140 3HD2 LEU 20 3HD2 LEU 20 -4.633 -1.732 5.361 141 H THR 21 H THR 21 -3.544 1.199 3.395 142 HA THR 21 HA THR 21 -2.049 3.781 3.428 143 HB THR 21 HB THR 21 -0.046 2.422 2.639 144 HG1 THR 21 1HG THR 21 -0.201 0.185 3.330 145 1HG2 THR 21 1HG2 THR 21 -0.182 3.284 4.924 146 2HG2 THR 21 2HG2 THR 21 0.528 1.670 4.936 147 3HG2 THR 21 3HG2 THR 21 -1.155 1.895 5.411 148 HA PRO 22 HA PRO 22 -3.657 3.090 -0.801 149 1HB PRO 22 2HB PRO 22 -4.556 5.639 -1.171 150 2HB PRO 22 1HB PRO 22 -5.491 4.388 -0.338 151 1HG PRO 22 2HG PRO 22 -4.200 6.774 0.762 152 2HG PRO 22 1HG PRO 22 -5.447 5.741 1.474 153 1HD PRO 22 2HD PRO 22 -2.600 5.747 2.010 154 2HD PRO 22 1HD PRO 22 -3.867 4.781 2.799 155 H VAL 23 H VAL 23 -0.933 4.473 0.350 156 HA VAL 23 HA VAL 23 -0.158 5.484 -2.359 157 HB VAL 23 HB VAL 23 0.784 6.631 0.286 158 1HG1 VAL 23 1HG1 VAL 23 1.368 7.190 -2.612 159 2HG1 VAL 23 2HG1 VAL 23 2.493 7.054 -1.261 160 3HG1 VAL 23 3HG1 VAL 23 1.483 8.490 -1.427 161 1HG2 VAL 23 1HG2 VAL 23 -0.521 8.665 -0.753 162 2HG2 VAL 23 2HG2 VAL 23 -1.397 7.427 0.148 163 3HG2 VAL 23 3HG2 VAL 23 -1.400 7.403 -1.615 164 H CYS 24 H CYS 24 2.011 5.129 -2.926 165 HA CYS 24 HA CYS 24 3.591 3.345 -1.146 166 1HB CYS 24 2HB CYS 24 2.399 1.901 -2.738 167 2HB CYS 24 1HB CYS 24 2.985 2.876 -4.080 168 H LYS 25 H LYS 25 4.973 5.131 -0.751 169 HA LYS 25 HA LYS 25 6.445 6.134 -3.163 170 1HB LYS 25 2HB LYS 25 5.231 7.891 -1.919 171 2HB LYS 25 1HB LYS 25 6.165 7.502 -0.479 172 1HG LYS 25 2HG LYS 25 8.079 8.471 -1.303 173 2HG LYS 25 1HG LYS 25 7.700 8.044 -2.971 174 1HD LYS 25 2HD LYS 25 7.511 10.451 -2.748 175 2HD LYS 25 1HD LYS 25 5.887 9.785 -2.935 176 1HE LYS 25 2HE LYS 25 5.649 11.271 -1.123 177 2HE LYS 25 1HE LYS 25 5.862 9.708 -0.335 178 1HZ LYS 25 1HZ LYS 25 8.296 10.254 -0.270 179 2HZ LYS 25 2HZ LYS 25 7.308 11.199 0.739 180 3HZ LYS 25 3HZ LYS 25 7.885 11.835 -0.727 181 H ARG 26 H ARG 26 8.638 6.167 -3.121 182 HA ARG 26 HA ARG 26 10.789 5.381 -2.588 183 1HB ARG 26 2HB ARG 26 10.091 6.878 -0.522 184 2HB ARG 26 1HB ARG 26 10.037 5.325 0.313 185 1HG ARG 26 2HG ARG 26 12.326 4.879 -0.144 186 2HG ARG 26 1HG ARG 26 12.413 6.156 -1.356 187 1HD ARG 26 2HD ARG 26 13.115 7.576 0.243 188 2HD ARG 26 1HD ARG 26 11.562 7.390 1.058 189 HE ARG 26 HE ARG 26 12.608 5.967 2.618 190 1HH1 ARG 26 1HH2 ARG 26 14.632 6.357 -0.208 191 2HH1 ARG 26 2HH2 ARG 26 15.966 5.525 0.510 192 1HH2 ARG 26 1HH1 ARG 26 14.361 4.896 3.507 193 2HH2 ARG 26 2HH1 ARG 26 15.817 4.706 2.589 194 H GLY 27 H GLY 27 8.487 3.480 -2.936 195 1HA GLY 27 2HA GLY 27 8.186 1.154 -2.857 196 2HA GLY 27 1HA GLY 27 9.856 1.040 -2.299 197 H SER 28 H SER 28 7.391 2.924 -0.639 198 HA SER 28 HA SER 28 7.172 0.848 1.464 199 1HB SER 28 2HB SER 28 7.994 3.729 1.936 200 2HB SER 28 1HB SER 28 7.558 2.590 3.208 201 HG SER 28 HG SER 28 9.717 2.393 3.044 202 H CYS 29 H CYS 29 5.098 0.646 2.033 203 HA CYS 29 HA CYS 29 3.022 2.257 0.892 204 1HB CYS 29 2HB CYS 29 3.040 0.207 3.117 205 2HB CYS 29 1HB CYS 29 1.562 1.000 2.571 206 H VAL 30 H VAL 30 1.751 3.867 1.814 207 HA VAL 30 HA VAL 30 2.225 4.690 4.602 208 HB VAL 30 HB VAL 30 2.703 7.045 3.927 209 1HG1 VAL 30 1HG1 VAL 30 4.706 5.150 2.683 210 2HG1 VAL 30 2HG1 VAL 30 4.493 5.292 4.428 211 3HG1 VAL 30 3HG1 VAL 30 5.024 6.687 3.489 212 1HG2 VAL 30 1HG2 VAL 30 1.950 7.378 1.761 213 2HG2 VAL 30 2HG2 VAL 30 2.476 5.782 1.222 214 3HG2 VAL 30 3HG2 VAL 30 3.657 7.074 1.439 215 H SER 31 H SER 31 0.607 6.287 5.301 216 HA SER 31 HA SER 31 -1.943 5.904 3.852 217 1HB SER 31 2HB SER 31 -2.839 7.085 5.970 218 2HB SER 31 1HB SER 31 -2.180 5.463 6.160 219 HG SER 31 HG SER 31 -1.331 7.815 7.201 220 H SER 32 H SER 32 -0.241 7.574 2.447 221 HA SER 32 HA SER 32 -0.173 9.680 1.423 222 1HB SER 32 2HB SER 32 -2.753 9.161 1.585 223 2HB SER 32 1HB SER 32 -2.731 10.426 2.810 224 HG SER 32 HG SER 32 -2.586 11.820 1.255 Start of MODEL 20 1 1H LEU 1 1HT LEU 1 -14.749 -6.026 -4.791 2 2H LEU 1 2HT LEU 1 -15.645 -6.591 -3.462 3 3H LEU 1 3HT LEU 1 -15.403 -7.591 -4.814 4 HA LEU 1 HA LEU 1 -13.907 -8.383 -3.211 5 1HB LEU 1 2HB LEU 1 -12.585 -6.506 -5.186 6 2HB LEU 1 1HB LEU 1 -11.669 -7.617 -4.167 7 HG LEU 1 HG LEU 1 -13.966 -8.653 -5.803 8 1HD1 LEU 1 1HD1 LEU 1 -12.725 -7.540 -7.499 9 2HD1 LEU 1 2HD1 LEU 1 -12.158 -9.208 -7.545 10 3HD1 LEU 1 3HD1 LEU 1 -11.182 -7.967 -6.759 11 1HD2 LEU 1 1HD2 LEU 1 -12.529 -9.895 -3.974 12 2HD2 LEU 1 2HD2 LEU 1 -11.337 -10.007 -5.269 13 3HD2 LEU 1 3HD2 LEU 1 -12.935 -10.724 -5.477 14 H LEU 2 H LEU 2 -11.609 -7.491 -2.176 15 HA LEU 2 HA LEU 2 -12.457 -5.248 -0.403 16 1HB LEU 2 2HB LEU 2 -10.289 -7.318 0.082 17 2HB LEU 2 1HB LEU 2 -10.938 -6.171 1.254 18 HG LEU 2 HG LEU 2 -12.659 -8.235 -0.134 19 1HD1 LEU 2 1HD1 LEU 2 -12.498 -9.318 2.239 20 2HD1 LEU 2 2HD1 LEU 2 -10.993 -8.408 2.367 21 3HD1 LEU 2 3HD1 LEU 2 -11.195 -9.604 1.086 22 1HD2 LEU 2 1HD2 LEU 2 -14.274 -7.675 1.538 23 2HD2 LEU 2 2HD2 LEU 2 -13.644 -6.135 0.952 24 3HD2 LEU 2 3HD2 LEU 2 -13.083 -6.789 2.490 25 H ALA 3 H ALA 3 -9.809 -4.697 0.573 26 HA ALA 3 HA ALA 3 -8.221 -3.950 -1.803 27 1HB ALA 3 1HB ALA 3 -10.053 -2.143 -1.023 28 2HB ALA 3 2HB ALA 3 -8.471 -1.669 -1.642 29 3HB ALA 3 3HB ALA 3 -8.759 -1.718 0.097 30 H CYS 4 H CYS 4 -7.033 -5.677 -0.432 31 HA CYS 4 HA CYS 4 -4.822 -4.469 0.877 32 1HB CYS 4 2HB CYS 4 -6.461 -4.075 2.699 33 2HB CYS 4 1HB CYS 4 -6.799 -5.801 2.755 34 H LEU 5 H LEU 5 -3.637 -5.901 -0.381 35 HA LEU 5 HA LEU 5 -3.907 -8.794 0.340 36 1HB LEU 5 2HB LEU 5 -3.067 -9.280 -1.973 37 2HB LEU 5 1HB LEU 5 -4.642 -8.487 -1.957 38 HG LEU 5 HG LEU 5 -2.278 -6.687 -2.014 39 1HD1 LEU 5 1HD1 LEU 5 -3.162 -8.059 -4.557 40 2HD1 LEU 5 2HD1 LEU 5 -1.805 -8.662 -3.604 41 3HD1 LEU 5 3HD1 LEU 5 -1.744 -7.042 -4.298 42 1HD2 LEU 5 1HD2 LEU 5 -5.092 -6.800 -2.989 43 2HD2 LEU 5 2HD2 LEU 5 -3.959 -5.847 -3.946 44 3HD2 LEU 5 3HD2 LEU 5 -4.214 -5.464 -2.244 45 H PHE 6 H PHE 6 -2.172 -6.631 1.488 46 HA PHE 6 HA PHE 6 0.459 -7.919 0.887 47 1HB PHE 6 2HB PHE 6 -0.327 -5.126 0.686 48 2HB PHE 6 1HB PHE 6 0.993 -5.319 1.837 49 HD1 PHE 6 1HD PHE 6 -0.079 -6.040 -1.654 50 HD2 PHE 6 2HD PHE 6 3.203 -5.859 1.113 51 HE1 PHE 6 1HE PHE 6 1.518 -6.314 -3.531 52 HE2 PHE 6 2HE PHE 6 4.800 -6.133 -0.765 53 HZ PHE 6 HZ PHE 6 3.958 -6.361 -3.086 54 H GLY 7 H GLY 7 -0.435 -5.454 3.299 55 1HA GLY 7 2HA GLY 7 -0.709 -5.734 5.654 56 2HA GLY 7 1HA GLY 7 -0.297 -7.440 5.473 57 H ASN 8 H ASN 8 1.665 -4.901 4.053 58 HA ASN 8 HA ASN 8 3.658 -5.121 6.241 59 1HB ASN 8 2HB ASN 8 4.110 -5.913 3.360 60 2HB ASN 8 1HB ASN 8 5.443 -5.448 4.418 61 1HD2 ASN 8 1HD2 ASN 8 5.561 -6.731 6.555 62 2HD2 ASN 8 2HD2 ASN 8 5.108 -8.365 6.511 63 H GLY 9 H GLY 9 5.697 -3.667 5.288 64 1HA GLY 9 2HA GLY 9 4.411 -1.094 4.474 65 2HA GLY 9 1HA GLY 9 5.844 -1.195 5.495 66 H ARG 10 H ARG 10 5.629 -3.358 2.782 67 HA ARG 10 HA ARG 10 7.554 -1.630 1.278 68 1HB ARG 10 2HB ARG 10 8.577 -3.784 0.467 69 2HB ARG 10 1HB ARG 10 8.782 -3.509 2.197 70 1HG ARG 10 2HG ARG 10 6.818 -4.954 2.648 71 2HG ARG 10 1HG ARG 10 6.660 -5.258 0.917 72 1HD ARG 10 2HD ARG 10 8.878 -6.282 0.858 73 2HD ARG 10 1HD ARG 10 9.124 -5.904 2.563 74 HE ARG 10 HE ARG 10 6.772 -7.410 2.483 75 1HH1 ARG 10 1HH2 ARG 10 10.098 -7.856 1.499 76 2HH1 ARG 10 2HH2 ARG 10 10.046 -9.566 1.741 77 1HH2 ARG 10 1HH1 ARG 10 6.749 -9.627 2.785 78 2HH2 ARG 10 2HH1 ARG 10 8.172 -10.561 2.462 79 H CYS 11 H CYS 11 6.978 -1.244 -0.827 80 HA CYS 11 HA CYS 11 5.123 -3.098 -2.202 81 1HB CYS 11 2HB CYS 11 3.681 -1.106 -2.877 82 2HB CYS 11 1HB CYS 11 3.510 -1.637 -1.211 83 H SER 12 H SER 12 4.575 -1.978 -4.437 84 HA SER 12 HA SER 12 7.032 -0.690 -5.534 85 1HB SER 12 2HB SER 12 5.473 -2.859 -6.955 86 2HB SER 12 1HB SER 12 6.991 -2.128 -7.465 87 HG SER 12 HG SER 12 6.509 -3.756 -5.188 88 H SER 13 H SER 13 3.910 -0.162 -4.904 89 HA SER 13 HA SER 13 3.576 1.968 -6.744 90 1HB SER 13 2HB SER 13 3.240 0.436 -8.518 91 2HB SER 13 1HB SER 13 2.320 -0.671 -7.502 92 HG SER 13 HG SER 13 0.605 0.393 -8.064 93 H ASN 14 H ASN 14 1.278 2.842 -6.572 94 HA ASN 14 HA ASN 14 0.436 2.945 -3.864 95 1HB ASN 14 2HB ASN 14 -0.731 3.804 -6.477 96 2HB ASN 14 1HB ASN 14 -1.782 3.794 -5.061 97 1HD2 ASN 14 1HD2 ASN 14 -1.872 6.119 -4.843 98 2HD2 ASN 14 2HD2 ASN 14 -0.515 7.036 -4.397 99 H ARG 15 H ARG 15 -0.831 1.031 -6.592 100 HA ARG 15 HA ARG 15 -2.987 -0.119 -5.054 101 1HB ARG 15 2HB ARG 15 -2.016 -0.238 -7.766 102 2HB ARG 15 1HB ARG 15 -2.381 -1.863 -7.189 103 1HG ARG 15 2HG ARG 15 -4.468 -1.201 -7.973 104 2HG ARG 15 1HG ARG 15 -4.580 -0.715 -6.283 105 1HD ARG 15 2HD ARG 15 -3.339 1.392 -7.834 106 2HD ARG 15 1HD ARG 15 -4.884 0.936 -8.551 107 HE ARG 15 HE ARG 15 -5.024 1.279 -5.657 108 1HH1 ARG 15 1HH2 ARG 15 -5.181 2.890 -8.759 109 2HH1 ARG 15 2HH2 ARG 15 -6.128 4.198 -8.143 110 1HH2 ARG 15 1HH1 ARG 15 -6.247 2.994 -4.904 111 2HH2 ARG 15 2HH1 ARG 15 -6.725 4.259 -5.985 112 H ASP 16 H ASP 16 0.340 -0.714 -4.989 113 HA ASP 16 HA ASP 16 0.160 -3.567 -4.372 114 1HB ASP 16 2HB ASP 16 2.266 -1.560 -4.775 115 2HB ASP 16 1HB ASP 16 2.632 -2.696 -3.479 116 H CYS 17 H CYS 17 -0.705 -0.840 -2.648 117 HA CYS 17 HA CYS 17 0.206 -1.946 -0.040 118 1HB CYS 17 2HB CYS 17 -0.943 0.746 -0.816 119 2HB CYS 17 1HB CYS 17 -0.573 0.275 0.842 120 H CYS 18 H CYS 18 -1.682 -1.159 1.704 121 HA CYS 18 HA CYS 18 -4.050 -2.716 0.858 122 1HB CYS 18 2HB CYS 18 -2.740 -2.056 3.462 123 2HB CYS 18 1HB CYS 18 -4.442 -2.461 3.450 124 H GLU 19 H GLU 19 -6.048 -1.830 2.366 125 HA GLU 19 HA GLU 19 -6.868 0.621 1.160 126 1HB GLU 19 2HB GLU 19 -8.150 -1.389 2.454 127 2HB GLU 19 1HB GLU 19 -8.150 -0.160 3.714 128 1HG GLU 19 2HG GLU 19 -9.394 1.353 2.421 129 2HG GLU 19 1HG GLU 19 -8.964 0.559 0.907 130 H LEU 20 H LEU 20 -5.792 -0.121 4.455 131 HA LEU 20 HA LEU 20 -5.992 2.498 5.531 132 1HB LEU 20 2HB LEU 20 -4.256 1.728 7.169 133 2HB LEU 20 1HB LEU 20 -5.605 0.607 6.993 134 HG LEU 20 HG LEU 20 -3.432 0.098 5.076 135 1HD1 LEU 20 1HD1 LEU 20 -1.829 0.624 6.676 136 2HD1 LEU 20 2HD1 LEU 20 -2.140 -1.067 7.068 137 3HD1 LEU 20 3HD1 LEU 20 -2.889 0.211 8.024 138 1HD2 LEU 20 1HD2 LEU 20 -4.109 -2.075 5.381 139 2HD2 LEU 20 2HD2 LEU 20 -5.543 -1.293 6.044 140 3HD2 LEU 20 3HD2 LEU 20 -4.283 -1.887 7.125 141 H THR 21 H THR 21 -3.716 1.181 3.281 142 HA THR 21 HA THR 21 -2.182 3.742 3.392 143 HB THR 21 HB THR 21 -0.224 2.240 2.561 144 HG1 THR 21 1HG THR 21 -1.804 0.323 3.921 145 1HG2 THR 21 1HG2 THR 21 -1.319 2.541 5.321 146 2HG2 THR 21 2HG2 THR 21 0.189 3.148 4.639 147 3HG2 THR 21 3HG2 THR 21 0.048 1.451 5.095 148 HA PRO 22 HA PRO 22 -3.638 3.138 -0.907 149 1HB PRO 22 2HB PRO 22 -4.509 5.699 -1.259 150 2HB PRO 22 1HB PRO 22 -5.479 4.439 -0.484 151 1HG PRO 22 2HG PRO 22 -4.227 6.799 0.705 152 2HG PRO 22 1HG PRO 22 -5.489 5.748 1.361 153 1HD PRO 22 2HD PRO 22 -2.649 5.747 1.966 154 2HD PRO 22 1HD PRO 22 -3.938 4.784 2.721 155 H VAL 23 H VAL 23 -0.941 4.457 0.355 156 HA VAL 23 HA VAL 23 -0.080 5.555 -2.292 157 HB VAL 23 HB VAL 23 0.779 6.588 0.426 158 1HG1 VAL 23 1HG1 VAL 23 1.664 8.474 -1.092 159 2HG1 VAL 23 2HG1 VAL 23 1.451 7.336 -2.424 160 3HG1 VAL 23 3HG1 VAL 23 2.559 6.954 -1.106 161 1HG2 VAL 23 1HG2 VAL 23 -0.437 8.680 -0.703 162 2HG2 VAL 23 2HG2 VAL 23 -1.323 7.504 0.269 163 3HG2 VAL 23 3HG2 VAL 23 -1.352 7.396 -1.491 164 H CYS 24 H CYS 24 2.126 5.245 -2.784 165 HA CYS 24 HA CYS 24 3.651 3.379 -1.050 166 1HB CYS 24 2HB CYS 24 2.450 1.987 -2.693 167 2HB CYS 24 1HB CYS 24 3.090 2.973 -4.004 168 H LYS 25 H LYS 25 5.030 5.158 -0.613 169 HA LYS 25 HA LYS 25 6.480 6.257 -2.994 170 1HB LYS 25 2HB LYS 25 5.337 7.919 -1.551 171 2HB LYS 25 1HB LYS 25 6.363 7.427 -0.211 172 1HG LYS 25 2HG LYS 25 7.499 9.287 -1.096 173 2HG LYS 25 1HG LYS 25 8.325 7.924 -1.850 174 1HD LYS 25 2HD LYS 25 7.887 9.418 -3.640 175 2HD LYS 25 1HD LYS 25 6.630 8.188 -3.773 176 1HE LYS 25 2HE LYS 25 5.102 9.677 -2.466 177 2HE LYS 25 1HE LYS 25 6.350 10.923 -2.494 178 1HZ LYS 25 1HZ LYS 25 5.097 11.470 -4.319 179 2HZ LYS 25 2HZ LYS 25 4.738 9.856 -4.709 180 3HZ LYS 25 3HZ LYS 25 6.281 10.489 -5.033 181 H ARG 26 H ARG 26 8.637 6.165 -3.089 182 HA ARG 26 HA ARG 26 10.784 5.283 -2.735 183 1HB ARG 26 2HB ARG 26 10.218 6.773 -0.584 184 2HB ARG 26 1HB ARG 26 10.327 5.201 0.208 185 1HG ARG 26 2HG ARG 26 12.573 4.997 -0.199 186 2HG ARG 26 1HG ARG 26 12.473 5.843 -1.744 187 1HD ARG 26 2HD ARG 26 11.970 7.950 -0.316 188 2HD ARG 26 1HD ARG 26 12.616 7.012 1.031 189 HE ARG 26 HE ARG 26 14.558 6.749 -0.912 190 1HH1 ARG 26 1HH2 ARG 26 12.925 9.480 0.544 191 2HH1 ARG 26 2HH2 ARG 26 14.279 10.532 0.328 192 1HH2 ARG 26 1HH1 ARG 26 16.286 8.147 -1.168 193 2HH2 ARG 26 2HH1 ARG 26 16.162 9.789 -0.629 194 H GLY 27 H GLY 27 8.426 3.447 -2.923 195 1HA GLY 27 2HA GLY 27 8.097 1.122 -2.847 196 2HA GLY 27 1HA GLY 27 9.780 0.975 -2.337 197 H SER 28 H SER 28 7.375 2.897 -0.626 198 HA SER 28 HA SER 28 7.203 0.838 1.505 199 1HB SER 28 2HB SER 28 8.164 3.688 1.830 200 2HB SER 28 1HB SER 28 7.532 2.749 3.179 201 HG SER 28 HG SER 28 9.771 2.505 3.047 202 H CYS 29 H CYS 29 5.113 0.600 2.012 203 HA CYS 29 HA CYS 29 3.034 2.218 0.921 204 1HB CYS 29 2HB CYS 29 3.083 0.169 3.146 205 2HB CYS 29 1HB CYS 29 1.597 0.980 2.653 206 H VAL 30 H VAL 30 1.793 3.844 1.815 207 HA VAL 30 HA VAL 30 2.238 4.693 4.598 208 HB VAL 30 HB VAL 30 2.721 7.050 3.885 209 1HG1 VAL 30 1HG1 VAL 30 5.071 6.671 3.487 210 2HG1 VAL 30 2HG1 VAL 30 4.754 5.063 2.837 211 3HG1 VAL 30 3HG1 VAL 30 4.500 5.387 4.552 212 1HG2 VAL 30 1HG2 VAL 30 2.542 5.728 1.217 213 2HG2 VAL 30 2HG2 VAL 30 3.807 6.938 1.422 214 3HG2 VAL 30 3HG2 VAL 30 2.120 7.374 1.688 215 H SER 31 H SER 31 0.668 6.436 5.192 216 HA SER 31 HA SER 31 -1.895 5.981 3.782 217 1HB SER 31 2HB SER 31 -2.730 7.386 5.814 218 2HB SER 31 1HB SER 31 -2.181 5.738 6.098 219 HG SER 31 HG SER 31 -0.889 8.187 6.620 220 H SER 32 H SER 32 -0.165 7.509 2.251 221 HA SER 32 HA SER 32 -0.063 9.530 1.066 222 1HB SER 32 2HB SER 32 -2.634 9.050 1.210 223 2HB SER 32 1HB SER 32 -2.637 10.365 2.382 224 HG SER 32 HG SER 32 -2.808 10.678 -0.127
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