NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9008 | 1n8m | 5676 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1HT ILE 1 -5.650 -11.474 -5.921 2 2H ILE 1 2HT ILE 1 -5.169 -10.472 -7.196 3 3H ILE 1 3HT ILE 1 -6.139 -9.854 -5.949 4 HA ILE 1 HA ILE 1 -3.346 -10.803 -5.690 5 HB ILE 1 HB ILE 1 -2.867 -8.446 -5.088 6 1HG1 ILE 1 2HG1 ILE 1 -5.657 -7.906 -6.137 7 2HG1 ILE 1 1HG1 ILE 1 -5.175 -7.808 -4.447 8 1HG2 ILE 1 1HG2 ILE 1 -4.033 -8.819 -7.839 9 2HG2 ILE 1 2HG2 ILE 1 -2.409 -9.280 -7.331 10 3HG2 ILE 1 3HG2 ILE 1 -2.873 -7.579 -7.364 11 1HD1 ILE 1 1HD1 ILE 1 -5.287 -5.604 -5.430 12 2HD1 ILE 1 2HD1 ILE 1 -4.156 -6.084 -6.695 13 3HD1 ILE 1 3HD1 ILE 1 -3.617 -5.999 -5.017 14 H GLU 2 H GLU 2 -2.430 -10.416 -3.598 15 HA GLU 2 HA GLU 2 -4.089 -11.104 -1.422 16 1HB GLU 2 2HB GLU 2 -2.074 -10.646 -0.033 17 2HB GLU 2 1HB GLU 2 -1.760 -11.727 -1.379 18 1HG GLU 2 2HG GLU 2 -1.130 -8.781 -1.418 19 2HG GLU 2 1HG GLU 2 0.018 -10.022 -0.931 20 H ALA 3 H ALA 3 -5.173 -9.901 0.008 21 HA ALA 3 HA ALA 3 -5.415 -7.081 -0.596 22 1HB ALA 3 1HB ALA 3 -7.420 -8.473 -0.261 23 2HB ALA 3 2HB ALA 3 -7.349 -7.103 0.848 24 3HB ALA 3 3HB ALA 3 -6.943 -8.723 1.417 25 H ILE 4 H ILE 4 -3.752 -5.948 0.206 26 HA ILE 4 HA ILE 4 -2.793 -6.300 2.895 27 HB ILE 4 HB ILE 4 -2.308 -4.005 0.979 28 1HG1 ILE 4 2HG1 ILE 4 -0.605 -6.448 1.522 29 2HG1 ILE 4 1HG1 ILE 4 -1.582 -6.202 0.079 30 1HG2 ILE 4 1HG2 ILE 4 -0.337 -3.558 2.373 31 2HG2 ILE 4 2HG2 ILE 4 -0.828 -4.854 3.469 32 3HG2 ILE 4 3HG2 ILE 4 -1.837 -3.416 3.291 33 1HD1 ILE 4 1HD1 ILE 4 0.754 -4.514 0.945 34 2HD1 ILE 4 2HD1 ILE 4 -0.231 -4.248 -0.495 35 3HD1 ILE 4 3HD1 ILE 4 0.748 -5.710 -0.354 36 H ARG 5 H ARG 5 -4.156 -5.798 4.499 37 HA ARG 5 HA ARG 5 -6.169 -3.774 4.189 38 1HB ARG 5 2HB ARG 5 -5.354 -5.559 6.462 39 2HB ARG 5 1HB ARG 5 -6.527 -4.270 6.690 40 1HG ARG 5 2HG ARG 5 -6.772 -6.571 4.763 41 2HG ARG 5 1HG ARG 5 -7.639 -6.388 6.291 42 1HD ARG 5 2HD ARG 5 -8.592 -4.249 5.376 43 2HD ARG 5 1HD ARG 5 -7.874 -4.672 3.823 44 HE ARG 5 HE ARG 5 -9.618 -6.684 4.985 45 1HH1 ARG 5 1HH1 ARG 5 -9.328 -3.958 2.791 46 2HH1 ARG 5 2HH1 ARG 5 -10.794 -4.341 1.935 47 1HH2 ARG 5 1HH2 ARG 5 -11.520 -7.183 3.851 48 2HH2 ARG 5 2HH2 ARG 5 -12.048 -6.159 2.547 49 H CYS 6 H CYS 6 -6.321 -1.807 5.215 50 HA CYS 6 HA CYS 6 -3.991 -0.834 6.675 51 1HB CYS 6 2HB CYS 6 -3.981 1.220 5.215 52 2HB CYS 6 1HB CYS 6 -3.419 -0.255 4.432 53 H GLY 7 H GLY 7 -4.566 0.417 8.335 54 1HA GLY 7 2HA GLY 7 -7.251 1.458 8.573 55 2HA GLY 7 1HA GLY 7 -5.924 1.705 9.708 56 H GLY 8 H GLY 8 -4.152 2.544 7.500 57 1HA GLY 8 2HA GLY 8 -5.338 5.036 6.558 58 2HA GLY 8 1HA GLY 8 -3.964 5.166 7.651 59 H SER 9 H SER 9 -3.485 6.321 5.358 60 HA SER 9 HA SER 9 -2.477 4.571 3.328 61 1HB SER 9 2HB SER 9 -1.419 6.692 2.457 62 2HB SER 9 1HB SER 9 -3.169 6.767 2.658 63 HG SER 9 HG SER 9 -1.606 8.516 3.545 64 H ARG 10 H ARG 10 -1.208 6.116 6.182 65 HA ARG 10 HA ARG 10 1.551 5.628 5.678 66 1HB ARG 10 2HB ARG 10 0.131 5.923 8.331 67 2HB ARG 10 1HB ARG 10 1.855 6.112 8.049 68 1HG ARG 10 2HG ARG 10 1.430 8.062 6.658 69 2HG ARG 10 1HG ARG 10 -0.307 7.861 6.897 70 1HD ARG 10 2HD ARG 10 1.761 8.494 8.990 71 2HD ARG 10 1HD ARG 10 0.488 9.557 8.394 72 HE ARG 10 HE ARG 10 -0.707 7.240 9.416 73 1HH1 ARG 10 1HH1 ARG 10 1.067 10.047 10.535 74 2HH1 ARG 10 2HH1 ARG 10 0.369 10.011 12.129 75 1HH2 ARG 10 1HH2 ARG 10 -1.612 7.174 11.481 76 2HH2 ARG 10 2HH2 ARG 10 -1.181 8.369 12.668 77 H ASP 11 H ASP 11 -1.053 3.656 6.484 78 HA ASP 11 HA ASP 11 0.473 1.591 7.830 79 1HB ASP 11 2HB ASP 11 -2.419 1.870 6.997 80 2HB ASP 11 1HB ASP 11 -1.768 0.341 7.598 81 H CYS 12 H CYS 12 0.104 2.638 4.775 82 HA CYS 12 HA CYS 12 0.271 -0.010 3.537 83 1HB CYS 12 2HB CYS 12 -0.350 2.725 2.446 84 2HB CYS 12 1HB CYS 12 -0.095 1.321 1.414 85 H TYR 13 H TYR 13 2.168 2.673 4.440 86 HA TYR 13 HA TYR 13 4.066 2.696 2.365 87 1HB TYR 13 2HB TYR 13 4.464 3.400 5.279 88 2HB TYR 13 1HB TYR 13 5.572 3.792 3.968 89 HD1 TYR 13 1HD TYR 13 2.910 4.346 2.140 90 HD2 TYR 13 2HD TYR 13 4.500 5.839 5.801 91 HE1 TYR 13 1HE TYR 13 1.716 6.466 1.792 92 HE2 TYR 13 2HE TYR 13 3.310 7.959 5.455 93 HH TYR 13 HH TYR 13 0.914 8.364 3.022 94 H ARG 14 H ARG 14 4.090 0.960 5.486 95 HA ARG 14 HA ARG 14 6.600 -0.158 5.275 96 1HB ARG 14 2HB ARG 14 5.337 -0.294 7.319 97 2HB ARG 14 1HB ARG 14 4.136 -1.327 6.561 98 1HG ARG 14 2HG ARG 14 6.934 -2.298 6.536 99 2HG ARG 14 1HG ARG 14 6.108 -2.257 8.099 100 1HD ARG 14 2HD ARG 14 4.236 -3.536 7.065 101 2HD ARG 14 1HD ARG 14 5.207 -3.685 5.601 102 HE ARG 14 HE ARG 14 6.872 -4.702 7.424 103 1HH1 ARG 14 1HH1 ARG 14 3.455 -5.257 6.874 104 2HH1 ARG 14 2HH1 ARG 14 3.488 -6.891 7.476 105 1HH2 ARG 14 1HH2 ARG 14 6.925 -6.849 8.233 106 2HH2 ARG 14 2HH2 ARG 14 5.467 -7.798 8.238 107 HA PRO 15 HA PRO 15 4.898 -4.096 3.006 108 1HB PRO 15 2HB PRO 15 2.489 -3.803 1.730 109 2HB PRO 15 1HB PRO 15 2.683 -4.537 3.323 110 1HG PRO 15 2HG PRO 15 1.839 -1.760 2.607 111 2HG PRO 15 1HG PRO 15 1.206 -2.835 3.868 112 1HD PRO 15 2HD PRO 15 2.897 -0.818 4.425 113 2HD PRO 15 1HD PRO 15 2.930 -2.348 5.325 114 H CYS 16 H CYS 16 3.517 -1.141 1.506 115 HA CYS 16 HA CYS 16 4.200 -2.000 -1.100 116 1HB CYS 16 2HB CYS 16 3.581 0.814 -0.199 117 2HB CYS 16 1HB CYS 16 3.476 0.190 -1.836 118 H GLN 17 H GLN 17 5.865 0.043 1.245 119 HA GLN 17 HA GLN 17 7.922 0.900 -0.540 120 1HB GLN 17 2HB GLN 17 7.336 2.005 1.674 121 2HB GLN 17 1HB GLN 17 8.132 0.656 2.469 122 1HG GLN 17 2HG GLN 17 10.189 1.237 1.212 123 2HG GLN 17 1HG GLN 17 9.377 2.683 0.637 124 1HE2 GLN 17 1HE2 GLN 17 8.955 4.356 2.086 125 2HE2 GLN 17 2HE2 GLN 17 9.717 4.448 3.632 126 H LYS 18 H LYS 18 7.494 -1.809 1.661 127 HA LYS 18 HA LYS 18 10.121 -2.863 1.410 128 1HB LYS 18 2HB LYS 18 8.576 -3.406 3.265 129 2HB LYS 18 1HB LYS 18 7.549 -4.273 2.135 130 1HG LYS 18 2HG LYS 18 8.834 -5.881 3.304 131 2HG LYS 18 1HG LYS 18 9.479 -5.789 1.664 132 1HD LYS 18 2HD LYS 18 11.278 -4.330 2.464 133 2HD LYS 18 1HD LYS 18 10.637 -4.442 4.104 134 1HE LYS 18 2HE LYS 18 10.992 -6.868 4.063 135 2HE LYS 18 1HE LYS 18 11.657 -6.738 2.437 136 1HZ LYS 18 1HZ LYS 18 13.455 -6.829 3.975 137 2HZ LYS 18 2HZ LYS 18 12.792 -5.606 4.936 138 3HZ LYS 18 3HZ LYS 18 13.380 -5.240 3.386 139 H ARG 19 H ARG 19 7.097 -3.356 -0.312 140 HA ARG 19 HA ARG 19 7.973 -5.592 -1.846 141 1HB ARG 19 2HB ARG 19 5.657 -3.694 -2.239 142 2HB ARG 19 1HB ARG 19 5.926 -5.132 -3.208 143 1HG ARG 19 2HG ARG 19 5.641 -6.541 -1.268 144 2HG ARG 19 1HG ARG 19 5.487 -5.121 -0.224 145 1HD ARG 19 2HD ARG 19 3.302 -6.063 -0.730 146 2HD ARG 19 1HD ARG 19 3.469 -4.455 -1.432 147 HE ARG 19 HE ARG 19 3.942 -5.666 -3.587 148 1HH1 ARG 19 1HH1 ARG 19 2.064 -7.169 -1.039 149 2HH1 ARG 19 2HH1 ARG 19 1.108 -8.119 -2.140 150 1HH2 ARG 19 1HH2 ARG 19 2.685 -6.950 -5.020 151 2HH2 ARG 19 2HH2 ARG 19 1.456 -8.001 -4.374 152 H THR 20 H THR 20 7.570 -2.133 -2.626 153 HA THR 20 HA THR 20 8.610 -2.673 -5.310 154 HB THR 20 HB THR 20 7.756 -0.494 -5.934 155 HG1 THR 20 1HG THR 20 6.774 -0.125 -3.292 156 1HG2 THR 20 1HG2 THR 20 6.139 -2.316 -5.927 157 2HG2 THR 20 2HG2 THR 20 5.355 -0.811 -5.444 158 3HG2 THR 20 3HG2 THR 20 5.781 -2.018 -4.225 159 H GLY 21 H GLY 21 9.262 -0.677 -2.473 160 1HA GLY 21 2HA GLY 21 11.699 -0.200 -2.109 161 2HA GLY 21 1HA GLY 21 11.708 0.327 -3.787 162 H CYS 22 H CYS 22 8.881 1.391 -3.227 163 HA CYS 22 HA CYS 22 9.629 3.775 -1.673 164 1HB CYS 22 2HB CYS 22 8.143 3.766 -4.314 165 2HB CYS 22 1HB CYS 22 8.410 5.182 -3.302 166 HA PRO 23 HA PRO 23 5.893 2.903 0.412 167 1HB PRO 23 2HB PRO 23 5.478 5.200 1.721 168 2HB PRO 23 1HB PRO 23 6.896 4.195 2.048 169 1HG PRO 23 2HG PRO 23 6.674 6.672 0.380 170 2HG PRO 23 1HG PRO 23 7.933 6.211 1.539 171 1HD PRO 23 2HD PRO 23 8.160 5.907 -1.181 172 2HD PRO 23 1HD PRO 23 9.041 4.928 0.008 173 H ASN 24 H ASN 24 5.841 4.888 -2.241 174 HA ASN 24 HA ASN 24 3.476 6.324 -2.128 175 1HB ASN 24 2HB ASN 24 4.494 4.871 -4.584 176 2HB ASN 24 1HB ASN 24 3.426 6.264 -4.551 177 1HD2 ASN 24 1HD2 ASN 24 4.748 7.491 -5.818 178 2HD2 ASN 24 2HD2 ASN 24 6.253 8.130 -5.270 179 H ALA 25 H ALA 25 1.644 5.462 -1.344 180 HA ALA 25 HA ALA 25 0.352 3.390 -2.906 181 1HB ALA 25 1HB ALA 25 -0.131 1.960 -0.987 182 2HB ALA 25 2HB ALA 25 0.858 2.996 0.041 183 3HB ALA 25 3HB ALA 25 1.605 2.084 -1.269 184 H LYS 26 H LYS 26 -1.890 3.161 -2.409 185 HA LYS 26 HA LYS 26 -3.024 5.418 -0.888 186 1HB LYS 26 2HB LYS 26 -4.126 4.067 -3.366 187 2HB LYS 26 1HB LYS 26 -4.948 5.321 -2.451 188 1HG LYS 26 2HG LYS 26 -3.356 6.957 -3.091 189 2HG LYS 26 1HG LYS 26 -2.271 5.735 -3.757 190 1HD LYS 26 2HD LYS 26 -3.922 5.198 -5.473 191 2HD LYS 26 1HD LYS 26 -5.024 6.398 -4.799 192 1HE LYS 26 2HE LYS 26 -2.266 7.084 -5.785 193 2HE LYS 26 1HE LYS 26 -3.681 7.095 -6.836 194 1HZ LYS 26 1HZ LYS 26 -3.250 8.767 -4.415 195 2HZ LYS 26 2HZ LYS 26 -4.708 8.694 -5.282 196 3HZ LYS 26 3HZ LYS 26 -3.308 9.290 -6.031 197 H CYS 27 H CYS 27 -4.260 4.819 0.784 198 HA CYS 27 HA CYS 27 -5.026 2.046 1.102 199 1HB CYS 27 2HB CYS 27 -4.243 3.381 3.043 200 2HB CYS 27 1HB CYS 27 -5.632 4.443 2.858 201 H ILE 28 H ILE 28 -6.365 1.947 -0.783 202 HA ILE 28 HA ILE 28 -8.925 3.384 -0.535 203 HB ILE 28 HB ILE 28 -7.674 4.063 -2.523 204 1HG1 ILE 28 2HG1 ILE 28 -9.392 3.535 -4.246 205 2HG1 ILE 28 1HG1 ILE 28 -10.082 2.339 -3.153 206 1HG2 ILE 28 1HG2 ILE 28 -7.749 1.148 -3.281 207 2HG2 ILE 28 2HG2 ILE 28 -6.316 2.102 -2.891 208 3HG2 ILE 28 3HG2 ILE 28 -7.244 2.457 -4.348 209 1HD1 ILE 28 1HD1 ILE 28 -10.578 4.113 -1.544 210 2HD1 ILE 28 2HD1 ILE 28 -11.352 4.400 -3.102 211 3HD1 ILE 28 3HD1 ILE 28 -9.903 5.303 -2.656 212 H ASN 29 H ASN 29 -10.812 2.249 -0.681 213 HA ASN 29 HA ASN 29 -12.233 0.499 -0.432 214 1HB ASN 29 2HB ASN 29 -10.221 -0.841 -2.252 215 2HB ASN 29 1HB ASN 29 -11.755 -1.568 -1.789 216 1HD2 ASN 29 1HD2 ASN 29 -10.726 -0.776 -4.419 217 2HD2 ASN 29 2HD2 ASN 29 -11.904 0.310 -5.065 218 H LYS 30 H LYS 30 -10.078 0.945 1.448 219 HA LYS 30 HA LYS 30 -9.138 0.049 3.296 220 1HB LYS 30 2HB LYS 30 -11.505 -1.588 2.808 221 2HB LYS 30 1HB LYS 30 -10.254 -2.444 3.703 222 1HG LYS 30 2HG LYS 30 -11.241 0.284 4.487 223 2HG LYS 30 1HG LYS 30 -11.966 -1.214 5.081 224 1HD LYS 30 2HD LYS 30 -9.919 -1.877 6.111 225 2HD LYS 30 1HD LYS 30 -9.037 -0.557 5.348 226 1HE LYS 30 2HE LYS 30 -10.358 1.059 6.632 227 2HE LYS 30 1HE LYS 30 -11.237 -0.268 7.392 228 1HZ LYS 30 1HZ LYS 30 -9.402 0.644 8.757 229 2HZ LYS 30 2HZ LYS 30 -8.299 0.100 7.589 230 3HZ LYS 30 3HZ LYS 30 -9.253 -1.016 8.438 231 H THR 31 H THR 31 -8.123 -0.594 0.574 232 HA THR 31 HA THR 31 -6.331 -2.757 1.426 233 HB THR 31 HB THR 31 -6.224 -3.512 -0.981 234 HG1 THR 31 1HG THR 31 -7.825 -1.408 -1.317 235 1HG2 THR 31 1HG2 THR 31 -7.448 -4.784 0.711 236 2HG2 THR 31 2HG2 THR 31 -8.247 -4.873 -0.857 237 3HG2 THR 31 3HG2 THR 31 -8.888 -3.818 0.401 238 H CYS 32 H CYS 32 -4.223 -2.403 1.002 239 HA CYS 32 HA CYS 32 -3.408 0.211 0.239 240 1HB CYS 32 2HB CYS 32 -1.848 -2.311 0.779 241 2HB CYS 32 1HB CYS 32 -1.101 -0.748 0.455 242 H LYS 33 H LYS 33 -3.428 0.911 -1.746 243 HA LYS 33 HA LYS 33 -2.835 -0.907 -3.963 244 1HB LYS 33 2HB LYS 33 -4.812 0.831 -3.765 245 2HB LYS 33 1HB LYS 33 -3.602 1.971 -4.309 246 1HG LYS 33 2HG LYS 33 -4.431 -0.529 -5.767 247 2HG LYS 33 1HG LYS 33 -4.976 1.104 -6.140 248 1HD LYS 33 2HD LYS 33 -2.619 1.735 -6.583 249 2HD LYS 33 1HD LYS 33 -2.156 0.053 -6.319 250 1HE LYS 33 2HE LYS 33 -2.381 0.498 -8.692 251 2HE LYS 33 1HE LYS 33 -3.632 -0.626 -8.160 252 1HZ LYS 33 1HZ LYS 33 -4.588 1.009 -9.605 253 2HZ LYS 33 2HZ LYS 33 -3.964 2.282 -8.676 254 3HZ LYS 33 3HZ LYS 33 -5.171 1.279 -8.038 255 H CYS 34 H CYS 34 -0.669 -1.129 -3.899 256 HA CYS 34 HA CYS 34 1.073 1.076 -3.293 257 1HB CYS 34 2HB CYS 34 1.961 -1.623 -4.289 258 2HB CYS 34 1HB CYS 34 2.818 -0.501 -3.232 259 H TYR 35 H TYR 35 2.227 2.292 -4.647 260 HA TYR 35 HA TYR 35 2.326 1.516 -7.490 261 1HB TYR 35 2HB TYR 35 2.384 4.256 -6.213 262 2HB TYR 35 1HB TYR 35 2.753 3.973 -7.910 263 HD1 TYR 35 1HD TYR 35 0.971 3.097 -9.418 264 HD2 TYR 35 2HD TYR 35 0.156 4.339 -5.436 265 HE1 TYR 35 1HE TYR 35 -1.420 3.236 -9.962 266 HE2 TYR 35 2HE TYR 35 -2.245 4.482 -5.963 267 HH TYR 35 HH TYR 35 -3.658 4.814 -8.062 268 H GLY 36 H GLY 36 4.075 2.869 -4.762 269 1HA GLY 36 2HA GLY 36 6.309 3.086 -4.309 270 2HA GLY 36 1HA GLY 36 6.532 1.688 -5.353 271 H CYS 37 H CYS 37 8.386 2.409 -6.357 272 HA CYS 37 HA CYS 37 7.938 4.662 -8.188 273 1HB CYS 37 2HB CYS 37 10.589 3.633 -7.163 274 2HB CYS 37 1HB CYS 37 10.353 4.939 -8.319 275 H SER 38 H SER 38 6.799 2.904 -9.299 276 HA SER 38 HA SER 38 8.245 0.771 -10.495 277 1HB SER 38 2HB SER 38 5.571 2.030 -11.057 278 2HB SER 38 1HB SER 38 6.138 0.557 -11.851 279 HG SER 38 HG SER 38 5.668 0.959 -9.066 Start of MODEL 2 1 1H ILE 1 1HT ILE 1 -0.419 -8.527 -4.846 2 2H ILE 1 2HT ILE 1 -0.167 -7.041 -5.619 3 3H ILE 1 3HT ILE 1 -1.746 -7.619 -5.391 4 HA ILE 1 HA ILE 1 0.155 -6.652 -3.349 5 HB ILE 1 HB ILE 1 -2.643 -5.760 -4.057 6 1HG1 ILE 1 2HG1 ILE 1 -0.007 -4.330 -4.467 7 2HG1 ILE 1 1HG1 ILE 1 -0.888 -5.174 -5.735 8 1HG2 ILE 1 1HG2 ILE 1 -2.250 -3.924 -2.495 9 2HG2 ILE 1 2HG2 ILE 1 -0.676 -4.606 -2.087 10 3HG2 ILE 1 3HG2 ILE 1 -2.150 -5.487 -1.681 11 1HD1 ILE 1 1HD1 ILE 1 -2.746 -3.635 -5.494 12 2HD1 ILE 1 2HD1 ILE 1 -1.249 -2.765 -5.813 13 3HD1 ILE 1 3HD1 ILE 1 -1.910 -2.811 -4.182 14 H GLU 2 H GLU 2 -2.569 -8.632 -4.028 15 HA GLU 2 HA GLU 2 -3.598 -10.281 -2.896 16 1HB GLU 2 2HB GLU 2 -1.235 -9.973 -1.045 17 2HB GLU 2 1HB GLU 2 -2.443 -11.236 -0.871 18 1HG GLU 2 2HG GLU 2 -0.623 -12.212 -1.993 19 2HG GLU 2 1HG GLU 2 -1.872 -11.958 -3.209 20 H ALA 3 H ALA 3 -4.337 -7.578 -2.451 21 HA ALA 3 HA ALA 3 -5.570 -6.209 -1.127 22 1HB ALA 3 1HB ALA 3 -6.543 -8.857 -0.072 23 2HB ALA 3 2HB ALA 3 -7.210 -7.947 -1.428 24 3HB ALA 3 3HB ALA 3 -7.327 -7.302 0.211 25 H ILE 4 H ILE 4 -3.550 -5.497 -0.071 26 HA ILE 4 HA ILE 4 -3.074 -6.407 2.616 27 HB ILE 4 HB ILE 4 -2.063 -3.951 1.163 28 1HG1 ILE 4 2HG1 ILE 4 -0.686 -6.569 1.804 29 2HG1 ILE 4 1HG1 ILE 4 -1.296 -6.102 0.220 30 1HG2 ILE 4 1HG2 ILE 4 -1.979 -3.476 3.502 31 2HG2 ILE 4 2HG2 ILE 4 -0.340 -3.881 2.984 32 3HG2 ILE 4 3HG2 ILE 4 -1.310 -5.068 3.857 33 1HD1 ILE 4 1HD1 ILE 4 1.115 -5.805 0.389 34 2HD1 ILE 4 2HD1 ILE 4 0.887 -4.694 1.743 35 3HD1 ILE 4 3HD1 ILE 4 0.292 -4.263 0.137 36 H ARG 5 H ARG 5 -4.695 -6.093 4.009 37 HA ARG 5 HA ARG 5 -6.483 -3.876 3.841 38 1HB ARG 5 2HB ARG 5 -6.031 -5.998 5.931 39 2HB ARG 5 1HB ARG 5 -7.199 -4.703 6.154 40 1HG ARG 5 2HG ARG 5 -7.217 -6.701 3.896 41 2HG ARG 5 1HG ARG 5 -8.252 -6.746 5.328 42 1HD ARG 5 2HD ARG 5 -9.172 -4.545 4.697 43 2HD ARG 5 1HD ARG 5 -8.168 -4.563 3.248 44 HE ARG 5 HE ARG 5 -9.472 -6.690 2.708 45 1HH1 ARG 5 1HH1 ARG 5 -10.816 -4.041 4.542 46 2HH1 ARG 5 2HH1 ARG 5 -12.425 -4.254 3.932 47 1HH2 ARG 5 1HH2 ARG 5 -11.569 -7.003 1.909 48 2HH2 ARG 5 2HH2 ARG 5 -12.863 -5.964 2.440 49 H CYS 6 H CYS 6 -6.431 -1.951 4.829 50 HA CYS 6 HA CYS 6 -4.128 -1.374 6.572 51 1HB CYS 6 2HB CYS 6 -4.050 0.850 5.252 52 2HB CYS 6 1HB CYS 6 -3.371 -0.596 4.505 53 H GLY 7 H GLY 7 -4.297 0.515 7.840 54 1HA GLY 7 2HA GLY 7 -7.041 1.593 8.115 55 2HA GLY 7 1HA GLY 7 -5.890 1.479 9.444 56 H GLY 8 H GLY 8 -5.286 2.524 6.133 57 1HA GLY 8 2HA GLY 8 -5.411 5.121 5.945 58 2HA GLY 8 1HA GLY 8 -4.177 5.015 7.196 59 H SER 9 H SER 9 -3.761 6.226 4.666 60 HA SER 9 HA SER 9 -2.382 4.492 2.899 61 1HB SER 9 2HB SER 9 -1.356 6.642 2.049 62 2HB SER 9 1HB SER 9 -3.118 6.614 2.054 63 HG SER 9 HG SER 9 -1.408 8.247 3.382 64 H ARG 10 H ARG 10 -1.483 6.313 5.739 65 HA ARG 10 HA ARG 10 1.334 5.944 5.484 66 1HB ARG 10 2HB ARG 10 -0.367 6.608 7.889 67 2HB ARG 10 1HB ARG 10 1.390 6.699 7.837 68 1HG ARG 10 2HG ARG 10 1.315 8.451 6.205 69 2HG ARG 10 1HG ARG 10 -0.433 8.280 6.037 70 1HD ARG 10 2HD ARG 10 0.175 10.210 7.417 71 2HD ARG 10 1HD ARG 10 -0.750 9.014 8.323 72 HE ARG 10 HE ARG 10 1.775 8.311 8.898 73 1HH1 ARG 10 1HH1 ARG 10 0.205 11.447 8.890 74 2HH1 ARG 10 2HH1 ARG 10 1.149 12.066 10.211 75 1HH2 ARG 10 1HH2 ARG 10 3.023 9.118 10.619 76 2HH2 ARG 10 2HH2 ARG 10 2.754 10.739 11.201 77 H ASP 11 H ASP 11 -1.141 3.852 6.169 78 HA ASP 11 HA ASP 11 0.430 2.103 7.912 79 1HB ASP 11 2HB ASP 11 -1.972 2.567 8.433 80 2HB ASP 11 1HB ASP 11 -2.421 1.786 6.917 81 H CYS 12 H CYS 12 -0.057 2.711 4.699 82 HA CYS 12 HA CYS 12 0.236 -0.059 3.819 83 1HB CYS 12 2HB CYS 12 -0.306 2.499 2.333 84 2HB CYS 12 1HB CYS 12 -0.044 0.957 1.532 85 H TYR 13 H TYR 13 2.163 2.680 4.434 86 HA TYR 13 HA TYR 13 4.020 2.493 2.336 87 1HB TYR 13 2HB TYR 13 4.483 3.535 5.136 88 2HB TYR 13 1HB TYR 13 5.536 3.793 3.745 89 HD1 TYR 13 1HD TYR 13 3.095 4.153 1.791 90 HD2 TYR 13 2HD TYR 13 4.170 5.912 5.514 91 HE1 TYR 13 1HE TYR 13 1.822 6.173 1.197 92 HE2 TYR 13 2HE TYR 13 2.904 7.935 4.928 93 HH TYR 13 HH TYR 13 2.150 9.079 2.749 94 H ARG 14 H ARG 14 4.264 1.174 5.674 95 HA ARG 14 HA ARG 14 6.779 0.065 5.368 96 1HB ARG 14 2HB ARG 14 5.686 0.219 7.534 97 2HB ARG 14 1HB ARG 14 4.502 -0.983 7.046 98 1HG ARG 14 2HG ARG 14 7.338 -1.797 6.880 99 2HG ARG 14 1HG ARG 14 6.671 -1.562 8.502 100 1HD ARG 14 2HD ARG 14 4.778 -3.070 7.826 101 2HD ARG 14 1HD ARG 14 5.668 -3.412 6.344 102 HE ARG 14 HE ARG 14 7.451 -3.964 8.348 103 1HH1 ARG 14 1HH1 ARG 14 4.230 -5.038 7.523 104 2HH1 ARG 14 2HH1 ARG 14 4.408 -6.598 8.253 105 1HH2 ARG 14 1HH2 ARG 14 7.690 -6.033 9.343 106 2HH2 ARG 14 2HH2 ARG 14 6.358 -7.154 9.312 107 HA PRO 15 HA PRO 15 4.859 -4.124 3.771 108 1HB PRO 15 2HB PRO 15 2.401 -3.804 2.537 109 2HB PRO 15 1HB PRO 15 2.633 -4.473 4.153 110 1HG PRO 15 2HG PRO 15 1.827 -1.723 3.342 111 2HG PRO 15 1HG PRO 15 1.287 -2.697 4.720 112 1HD PRO 15 2HD PRO 15 3.050 -0.678 4.993 113 2HD PRO 15 1HD PRO 15 3.120 -2.138 6.000 114 H CYS 16 H CYS 16 3.365 -1.419 1.933 115 HA CYS 16 HA CYS 16 3.975 -2.570 -0.554 116 1HB CYS 16 2HB CYS 16 3.404 0.331 0.057 117 2HB CYS 16 1HB CYS 16 3.312 -0.430 -1.523 118 H GLN 17 H GLN 17 5.735 -0.160 1.377 119 HA GLN 17 HA GLN 17 7.624 0.478 -0.641 120 1HB GLN 17 2HB GLN 17 7.180 1.864 1.433 121 2HB GLN 17 1HB GLN 17 8.037 0.632 2.354 122 1HG GLN 17 2HG GLN 17 9.348 1.984 0.032 123 2HG GLN 17 1HG GLN 17 9.314 2.738 1.623 124 1HE2 GLN 17 1HE2 GLN 17 11.511 1.618 -0.077 125 2HE2 GLN 17 2HE2 GLN 17 12.350 0.518 0.960 126 H LYS 18 H LYS 18 7.624 -1.848 2.034 127 HA LYS 18 HA LYS 18 10.296 -2.673 1.639 128 1HB LYS 18 2HB LYS 18 8.856 -2.978 3.721 129 2HB LYS 18 1HB LYS 18 8.137 -4.353 2.892 130 1HG LYS 18 2HG LYS 18 9.961 -4.973 4.443 131 2HG LYS 18 1HG LYS 18 10.255 -5.461 2.771 132 1HD LYS 18 2HD LYS 18 11.756 -3.624 2.427 133 2HD LYS 18 1HD LYS 18 11.342 -2.928 3.995 134 1HE LYS 18 2HE LYS 18 12.711 -5.579 3.563 135 2HE LYS 18 1HE LYS 18 13.519 -4.076 4.014 136 1HZ LYS 18 1HZ LYS 18 13.191 -5.234 6.006 137 2HZ LYS 18 2HZ LYS 18 11.606 -5.677 5.605 138 3HZ LYS 18 3HZ LYS 18 11.961 -4.065 5.994 139 H ARG 19 H ARG 19 7.248 -3.632 0.270 140 HA ARG 19 HA ARG 19 8.193 -6.077 -0.890 141 1HB ARG 19 2HB ARG 19 5.719 -4.431 -1.440 142 2HB ARG 19 1HB ARG 19 6.035 -6.011 -2.145 143 1HG ARG 19 2HG ARG 19 5.959 -7.049 0.017 144 2HG ARG 19 1HG ARG 19 5.811 -5.475 0.811 145 1HD ARG 19 2HD ARG 19 3.646 -6.617 0.636 146 2HD ARG 19 1HD ARG 19 3.672 -5.105 -0.269 147 HE ARG 19 HE ARG 19 4.046 -6.536 -2.290 148 1HH1 ARG 19 1HH1 ARG 19 2.498 -7.864 0.563 149 2HH1 ARG 19 2HH1 ARG 19 1.573 -9.031 -0.337 150 1HH2 ARG 19 1HH2 ARG 19 2.825 -8.013 -3.461 151 2HH2 ARG 19 2HH2 ARG 19 1.763 -9.128 -2.634 152 H THR 20 H THR 20 7.395 -2.866 -2.211 153 HA THR 20 HA THR 20 8.262 -3.749 -4.846 154 HB THR 20 HB THR 20 7.269 -1.685 -5.680 155 HG1 THR 20 1HG THR 20 6.540 -1.082 -2.986 156 1HG2 THR 20 1HG2 THR 20 5.504 -3.084 -3.658 157 2HG2 THR 20 2HG2 THR 20 5.794 -3.602 -5.322 158 3HG2 THR 20 3HG2 THR 20 4.938 -2.092 -5.007 159 H GLY 21 H GLY 21 9.232 -1.501 -2.332 160 1HA GLY 21 2HA GLY 21 11.650 -0.972 -2.286 161 2HA GLY 21 1HA GLY 21 11.520 -0.694 -4.018 162 H CYS 22 H CYS 22 8.910 0.616 -3.750 163 HA CYS 22 HA CYS 22 9.840 3.172 -2.631 164 1HB CYS 22 2HB CYS 22 8.097 2.661 -5.048 165 2HB CYS 22 1HB CYS 22 8.401 4.255 -4.366 166 HA PRO 23 HA PRO 23 6.380 2.916 0.023 167 1HB PRO 23 2HB PRO 23 6.389 5.367 1.060 168 2HB PRO 23 1HB PRO 23 7.759 4.272 1.295 169 1HG PRO 23 2HG PRO 23 7.458 6.544 -0.633 170 2HG PRO 23 1HG PRO 23 8.852 6.101 0.360 171 1HD PRO 23 2HD PRO 23 8.566 5.451 -2.301 172 2HD PRO 23 1HD PRO 23 9.597 4.569 -1.158 173 H ASN 24 H ASN 24 6.053 4.373 -2.866 174 HA ASN 24 HA ASN 24 3.747 5.974 -2.554 175 1HB ASN 24 2HB ASN 24 4.710 4.385 -4.941 176 2HB ASN 24 1HB ASN 24 3.382 5.539 -4.988 177 1HD2 ASN 24 1HD2 ASN 24 5.961 5.496 -6.376 178 2HD2 ASN 24 2HD2 ASN 24 6.711 7.008 -6.003 179 H ALA 25 H ALA 25 1.995 5.241 -1.557 180 HA ALA 25 HA ALA 25 0.520 3.022 -2.634 181 1HB ALA 25 1HB ALA 25 0.421 1.736 -0.573 182 2HB ALA 25 2HB ALA 25 1.549 2.853 0.192 183 3HB ALA 25 3HB ALA 25 2.082 1.848 -1.156 184 H LYS 26 H LYS 26 -1.649 3.122 -2.077 185 HA LYS 26 HA LYS 26 -2.407 5.104 -0.062 186 1HB LYS 26 2HB LYS 26 -3.561 4.905 -2.846 187 2HB LYS 26 1HB LYS 26 -4.243 5.886 -1.556 188 1HG LYS 26 2HG LYS 26 -2.027 7.061 -1.423 189 2HG LYS 26 1HG LYS 26 -1.578 6.212 -2.901 190 1HD LYS 26 2HD LYS 26 -3.417 7.243 -4.086 191 2HD LYS 26 1HD LYS 26 -3.968 8.022 -2.597 192 1HE LYS 26 2HE LYS 26 -2.756 9.674 -3.765 193 2HE LYS 26 1HE LYS 26 -1.688 9.103 -2.481 194 1HZ LYS 26 1HZ LYS 26 -0.536 7.725 -4.074 195 2HZ LYS 26 2HZ LYS 26 -0.526 9.340 -4.588 196 3HZ LYS 26 3HZ LYS 26 -1.579 8.226 -5.316 197 H CYS 27 H CYS 27 -4.299 4.704 1.025 198 HA CYS 27 HA CYS 27 -5.067 1.886 0.998 199 1HB CYS 27 2HB CYS 27 -4.324 2.996 3.112 200 2HB CYS 27 1HB CYS 27 -5.721 4.058 3.005 201 H ILE 28 H ILE 28 -6.426 1.909 -0.834 202 HA ILE 28 HA ILE 28 -8.897 3.485 -0.527 203 HB ILE 28 HB ILE 28 -7.617 4.091 -2.544 204 1HG1 ILE 28 2HG1 ILE 28 -9.430 3.756 -4.210 205 2HG1 ILE 28 1HG1 ILE 28 -10.192 2.607 -3.116 206 1HG2 ILE 28 1HG2 ILE 28 -7.400 2.482 -4.398 207 2HG2 ILE 28 2HG2 ILE 28 -7.999 1.211 -3.334 208 3HG2 ILE 28 3HG2 ILE 28 -6.472 2.014 -2.975 209 1HD1 ILE 28 1HD1 ILE 28 -9.721 5.529 -2.560 210 2HD1 ILE 28 2HD1 ILE 28 -10.485 4.378 -1.465 211 3HD1 ILE 28 3HD1 ILE 28 -11.260 4.784 -2.998 212 H ASN 29 H ASN 29 -10.828 2.448 -0.557 213 HA ASN 29 HA ASN 29 -12.335 0.757 -0.309 214 1HB ASN 29 2HB ASN 29 -10.463 -0.708 -2.186 215 2HB ASN 29 1HB ASN 29 -12.091 -1.230 -1.767 216 1HD2 ASN 29 1HD2 ASN 29 -10.842 -0.480 -4.334 217 2HD2 ASN 29 2HD2 ASN 29 -11.871 0.758 -4.990 218 H LYS 30 H LYS 30 -10.074 1.012 1.508 219 HA LYS 30 HA LYS 30 -9.213 -0.001 3.336 220 1HB LYS 30 2HB LYS 30 -11.521 -1.666 2.664 221 2HB LYS 30 1HB LYS 30 -10.276 -2.531 3.556 222 1HG LYS 30 2HG LYS 30 -11.362 0.117 4.459 223 2HG LYS 30 1HG LYS 30 -12.089 -1.425 4.921 224 1HD LYS 30 2HD LYS 30 -10.131 -2.122 6.049 225 2HD LYS 30 1HD LYS 30 -9.170 -0.823 5.340 226 1HE LYS 30 2HE LYS 30 -10.532 0.814 6.589 227 2HE LYS 30 1HE LYS 30 -11.415 -0.518 7.334 228 1HZ LYS 30 1HZ LYS 30 -9.544 0.458 8.675 229 2HZ LYS 30 2HZ LYS 30 -8.475 -0.236 7.552 230 3HZ LYS 30 3HZ LYS 30 -9.495 -1.224 8.471 231 H THR 31 H THR 31 -8.439 -0.728 0.381 232 HA THR 31 HA THR 31 -6.566 -2.862 1.157 233 HB THR 31 HB THR 31 -6.520 -3.497 -1.271 234 HG1 THR 31 1HG THR 31 -8.015 -1.292 -1.505 235 1HG2 THR 31 1HG2 THR 31 -8.662 -4.725 -1.217 236 2HG2 THR 31 2HG2 THR 31 -9.183 -3.732 0.142 237 3HG2 THR 31 3HG2 THR 31 -7.805 -4.815 0.322 238 H CYS 32 H CYS 32 -4.500 -2.321 1.079 239 HA CYS 32 HA CYS 32 -3.560 0.187 0.268 240 1HB CYS 32 2HB CYS 32 -2.118 -2.433 0.685 241 2HB CYS 32 1HB CYS 32 -1.289 -0.914 0.361 242 H LYS 33 H LYS 33 -3.421 0.976 -1.693 243 HA LYS 33 HA LYS 33 -2.995 -0.826 -3.960 244 1HB LYS 33 2HB LYS 33 -4.691 1.267 -3.712 245 2HB LYS 33 1HB LYS 33 -3.284 2.110 -4.342 246 1HG LYS 33 2HG LYS 33 -4.606 -0.257 -5.655 247 2HG LYS 33 1HG LYS 33 -4.888 1.428 -6.087 248 1HD LYS 33 2HD LYS 33 -2.534 1.667 -6.709 249 2HD LYS 33 1HD LYS 33 -2.236 -0.009 -6.242 250 1HE LYS 33 2HE LYS 33 -3.809 -0.773 -7.946 251 2HE LYS 33 1HE LYS 33 -4.129 0.895 -8.411 252 1HZ LYS 33 1HZ LYS 33 -1.908 1.128 -9.194 253 2HZ LYS 33 2HZ LYS 33 -2.530 -0.296 -9.864 254 3HZ LYS 33 3HZ LYS 33 -1.449 -0.374 -8.560 255 H CYS 34 H CYS 34 -0.851 -1.300 -3.334 256 HA CYS 34 HA CYS 34 1.158 0.670 -2.991 257 1HB CYS 34 2HB CYS 34 1.707 -2.126 -3.963 258 2HB CYS 34 1HB CYS 34 2.687 -1.113 -2.907 259 H TYR 35 H TYR 35 1.287 2.116 -4.645 260 HA TYR 35 HA TYR 35 1.134 1.411 -7.387 261 1HB TYR 35 2HB TYR 35 2.244 3.883 -6.037 262 2HB TYR 35 1HB TYR 35 2.011 3.721 -7.774 263 HD1 TYR 35 1HD TYR 35 -0.265 3.620 -8.714 264 HD2 TYR 35 2HD TYR 35 0.379 4.286 -4.563 265 HE1 TYR 35 1HE TYR 35 -2.581 4.409 -8.485 266 HE2 TYR 35 2HE TYR 35 -1.939 5.074 -4.322 267 HH TYR 35 HH TYR 35 -4.282 4.686 -6.803 268 H GLY 36 H GLY 36 3.779 1.931 -5.127 269 1HA GLY 36 2HA GLY 36 5.863 0.886 -5.193 270 2HA GLY 36 1HA GLY 36 5.512 0.336 -6.825 271 H CYS 37 H CYS 37 7.353 0.996 -7.819 272 HA CYS 37 HA CYS 37 8.267 3.740 -7.412 273 1HB CYS 37 2HB CYS 37 9.508 1.428 -8.907 274 2HB CYS 37 1HB CYS 37 10.242 3.016 -8.701 275 H SER 38 H SER 38 5.973 3.949 -8.633 276 HA SER 38 HA SER 38 6.590 4.307 -11.478 277 1HB SER 38 2HB SER 38 4.043 4.371 -11.711 278 2HB SER 38 1HB SER 38 4.754 2.818 -11.270 279 HG SER 38 HG SER 38 3.603 4.691 -9.471 Start of MODEL 3 1 1H ILE 1 1HT ILE 1 -0.828 -7.924 -5.732 2 2H ILE 1 2HT ILE 1 0.025 -8.619 -4.439 3 3H ILE 1 3HT ILE 1 0.478 -7.094 -5.031 4 HA ILE 1 HA ILE 1 -0.709 -6.842 -2.981 5 HB ILE 1 HB ILE 1 -2.403 -6.033 -5.355 6 1HG1 ILE 1 2HG1 ILE 1 -0.238 -4.531 -3.860 7 2HG1 ILE 1 1HG1 ILE 1 -0.076 -5.222 -5.471 8 1HG2 ILE 1 1HG2 ILE 1 -3.297 -4.295 -3.877 9 2HG2 ILE 1 2HG2 ILE 1 -2.352 -4.948 -2.539 10 3HG2 ILE 1 3HG2 ILE 1 -3.647 -5.908 -3.254 11 1HD1 ILE 1 1HD1 ILE 1 -0.440 -2.818 -5.548 12 2HD1 ILE 1 2HD1 ILE 1 -1.970 -3.020 -4.690 13 3HD1 ILE 1 3HD1 ILE 1 -1.771 -3.694 -6.307 14 H GLU 2 H GLU 2 -1.610 -8.302 -1.696 15 HA GLU 2 HA GLU 2 -3.818 -9.949 -2.729 16 1HB GLU 2 2HB GLU 2 -2.043 -10.509 -0.338 17 2HB GLU 2 1HB GLU 2 -3.222 -11.600 -1.049 18 1HG GLU 2 2HG GLU 2 -1.135 -12.376 -1.772 19 2HG GLU 2 1HG GLU 2 -1.821 -11.527 -3.156 20 H ALA 3 H ALA 3 -4.619 -7.508 -2.056 21 HA ALA 3 HA ALA 3 -5.869 -6.188 -0.703 22 1HB ALA 3 1HB ALA 3 -7.458 -8.010 -0.915 23 2HB ALA 3 2HB ALA 3 -7.551 -7.290 0.695 24 3HB ALA 3 3HB ALA 3 -6.724 -8.830 0.463 25 H ILE 4 H ILE 4 -3.819 -5.424 0.215 26 HA ILE 4 HA ILE 4 -3.103 -6.323 2.859 27 HB ILE 4 HB ILE 4 -2.270 -3.809 1.381 28 1HG1 ILE 4 2HG1 ILE 4 -0.823 -6.449 1.686 29 2HG1 ILE 4 1HG1 ILE 4 -1.629 -5.903 0.220 30 1HG2 ILE 4 1HG2 ILE 4 -1.145 -5.114 3.858 31 2HG2 ILE 4 2HG2 ILE 4 -1.925 -3.534 3.749 32 3HG2 ILE 4 3HG2 ILE 4 -0.362 -3.802 2.974 33 1HD1 ILE 4 1HD1 ILE 4 -0.069 -4.027 0.074 34 2HD1 ILE 4 2HD1 ILE 4 0.767 -5.579 0.073 35 3HD1 ILE 4 3HD1 ILE 4 0.740 -4.592 1.534 36 H ARG 5 H ARG 5 -4.510 -5.982 4.431 37 HA ARG 5 HA ARG 5 -6.530 -3.981 4.305 38 1HB ARG 5 2HB ARG 5 -5.692 -5.919 6.455 39 2HB ARG 5 1HB ARG 5 -7.019 -4.784 6.669 40 1HG ARG 5 2HG ARG 5 -6.868 -6.826 4.457 41 2HG ARG 5 1HG ARG 5 -7.754 -7.040 5.975 42 1HD ARG 5 2HD ARG 5 -9.100 -5.052 5.449 43 2HD ARG 5 1HD ARG 5 -8.226 -4.879 3.927 44 HE ARG 5 HE ARG 5 -9.154 -7.184 3.425 45 1HH1 ARG 5 1HH1 ARG 5 -10.800 -4.967 5.571 46 2HH1 ARG 5 2HH1 ARG 5 -12.392 -5.497 5.107 47 1HH2 ARG 5 1HH2 ARG 5 -11.228 -7.901 2.818 48 2HH2 ARG 5 2HH2 ARG 5 -12.636 -7.169 3.540 49 H CYS 6 H CYS 6 -6.418 -1.954 4.866 50 HA CYS 6 HA CYS 6 -4.285 -1.101 6.709 51 1HB CYS 6 2HB CYS 6 -4.265 1.016 5.274 52 2HB CYS 6 1HB CYS 6 -3.546 -0.433 4.577 53 H GLY 7 H GLY 7 -4.758 0.527 8.148 54 1HA GLY 7 2HA GLY 7 -7.544 1.476 8.209 55 2HA GLY 7 1HA GLY 7 -6.403 1.554 9.551 56 H GLY 8 H GLY 8 -5.241 2.336 6.446 57 1HA GLY 8 2HA GLY 8 -5.729 4.970 6.019 58 2HA GLY 8 1HA GLY 8 -4.527 4.976 7.308 59 H SER 9 H SER 9 -3.982 6.085 4.810 60 HA SER 9 HA SER 9 -2.649 4.268 3.091 61 1HB SER 9 2HB SER 9 -2.359 7.262 3.397 62 2HB SER 9 1HB SER 9 -1.631 6.318 2.096 63 HG SER 9 HG SER 9 -4.180 7.213 2.361 64 H ARG 10 H ARG 10 -1.717 5.950 5.983 65 HA ARG 10 HA ARG 10 1.100 5.571 5.625 66 1HB ARG 10 2HB ARG 10 -0.428 6.131 8.170 67 2HB ARG 10 1HB ARG 10 1.305 6.288 7.942 68 1HG ARG 10 2HG ARG 10 0.800 8.002 6.165 69 2HG ARG 10 1HG ARG 10 -0.872 7.955 6.723 70 1HD ARG 10 2HD ARG 10 0.147 9.770 7.843 71 2HD ARG 10 1HD ARG 10 0.015 8.471 9.029 72 HE ARG 10 HE ARG 10 2.539 8.563 7.622 73 1HH1 ARG 10 1HH1 ARG 10 0.748 9.576 10.456 74 2HH1 ARG 10 2HH1 ARG 10 2.176 10.025 11.345 75 1HH2 ARG 10 1HH2 ARG 10 4.398 9.135 8.775 76 2HH2 ARG 10 2HH2 ARG 10 4.261 9.760 10.390 77 H ASP 11 H ASP 11 -1.425 3.531 6.388 78 HA ASP 11 HA ASP 11 0.135 1.642 7.963 79 1HB ASP 11 2HB ASP 11 -2.711 1.783 7.015 80 2HB ASP 11 1HB ASP 11 -2.036 0.218 7.464 81 H CYS 12 H CYS 12 0.050 2.516 4.854 82 HA CYS 12 HA CYS 12 0.196 -0.199 3.744 83 1HB CYS 12 2HB CYS 12 -0.332 2.479 2.484 84 2HB CYS 12 1HB CYS 12 -0.145 0.989 1.568 85 H TYR 13 H TYR 13 2.160 2.343 4.674 86 HA TYR 13 HA TYR 13 3.939 2.419 2.468 87 1HB TYR 13 2HB TYR 13 4.336 3.368 5.305 88 2HB TYR 13 1HB TYR 13 5.427 3.704 3.958 89 HD1 TYR 13 1HD TYR 13 2.969 3.906 1.980 90 HD2 TYR 13 2HD TYR 13 3.978 5.789 5.656 91 HE1 TYR 13 1HE TYR 13 1.604 5.844 1.349 92 HE2 TYR 13 2HE TYR 13 2.614 7.741 5.030 93 HH TYR 13 HH TYR 13 1.755 8.808 2.971 94 H ARG 14 H ARG 14 4.309 0.923 5.708 95 HA ARG 14 HA ARG 14 6.844 -0.096 5.278 96 1HB ARG 14 2HB ARG 14 5.736 -0.119 7.470 97 2HB ARG 14 1HB ARG 14 4.665 -1.396 6.915 98 1HG ARG 14 2HG ARG 14 7.545 -1.946 6.637 99 2HG ARG 14 1HG ARG 14 6.939 -1.828 8.290 100 1HD ARG 14 2HD ARG 14 5.312 -3.548 7.870 101 2HD ARG 14 1HD ARG 14 5.727 -3.578 6.156 102 HE ARG 14 HE ARG 14 8.007 -4.334 6.963 103 1HH1 ARG 14 1HH1 ARG 14 5.089 -4.963 8.804 104 2HH1 ARG 14 2HH1 ARG 14 5.699 -6.438 9.504 105 1HH2 ARG 14 1HH2 ARG 14 8.820 -6.234 7.882 106 2HH2 ARG 14 2HH2 ARG 14 7.844 -7.150 8.991 107 HA PRO 15 HA PRO 15 4.940 -4.236 3.513 108 1HB PRO 15 2HB PRO 15 2.526 -3.832 2.220 109 2HB PRO 15 1HB PRO 15 2.707 -4.579 3.811 110 1HG PRO 15 2HG PRO 15 1.975 -1.775 3.104 111 2HG PRO 15 1HG PRO 15 1.355 -2.802 4.409 112 1HD PRO 15 2HD PRO 15 3.137 -0.845 4.875 113 2HD PRO 15 1HD PRO 15 3.178 -2.373 5.778 114 H CYS 16 H CYS 16 3.563 -1.413 1.759 115 HA CYS 16 HA CYS 16 4.317 -2.483 -0.754 116 1HB CYS 16 2HB CYS 16 3.576 0.370 -0.082 117 2HB CYS 16 1HB CYS 16 3.610 -0.337 -1.689 118 H GLN 17 H GLN 17 5.899 -0.187 1.428 119 HA GLN 17 HA GLN 17 7.826 0.702 -0.463 120 1HB GLN 17 2HB GLN 17 7.180 1.789 1.796 121 2HB GLN 17 1HB GLN 17 8.301 0.631 2.510 122 1HG GLN 17 2HG GLN 17 10.080 1.518 1.007 123 2HG GLN 17 1HG GLN 17 8.944 2.752 0.476 124 1HE2 GLN 17 1HE2 GLN 17 9.086 1.584 3.768 125 2HE2 GLN 17 2HE2 GLN 17 9.731 3.034 4.455 126 H LYS 18 H LYS 18 7.659 -1.990 1.759 127 HA LYS 18 HA LYS 18 10.368 -2.819 1.341 128 1HB LYS 18 2HB LYS 18 7.997 -3.858 2.769 129 2HB LYS 18 1HB LYS 18 9.135 -5.069 2.207 130 1HG LYS 18 2HG LYS 18 9.574 -4.424 4.511 131 2HG LYS 18 1HG LYS 18 10.924 -4.008 3.458 132 1HD LYS 18 2HD LYS 18 8.866 -1.925 3.939 133 2HD LYS 18 1HD LYS 18 9.942 -2.329 5.276 134 1HE LYS 18 2HE LYS 18 10.791 -1.467 2.513 135 2HE LYS 18 1HE LYS 18 10.810 -0.460 3.961 136 1HZ LYS 18 1HZ LYS 18 12.451 -2.872 3.425 137 2HZ LYS 18 2HZ LYS 18 12.360 -2.126 4.943 138 3HZ LYS 18 3HZ LYS 18 13.001 -1.279 3.619 139 H ARG 19 H ARG 19 7.202 -3.793 0.101 140 HA ARG 19 HA ARG 19 8.137 -5.979 -1.433 141 1HB ARG 19 2HB ARG 19 5.612 -4.351 -1.740 142 2HB ARG 19 1HB ARG 19 5.921 -5.896 -2.520 143 1HG ARG 19 2HG ARG 19 6.061 -6.968 -0.320 144 2HG ARG 19 1HG ARG 19 5.726 -5.415 0.451 145 1HD ARG 19 2HD ARG 19 3.693 -6.721 0.330 146 2HD ARG 19 1HD ARG 19 3.575 -5.318 -0.731 147 HE ARG 19 HE ARG 19 4.269 -6.988 -2.546 148 1HH1 ARG 19 1HH1 ARG 19 2.312 -7.865 0.243 149 2HH1 ARG 19 2HH1 ARG 19 1.492 -9.152 -0.596 150 1HH2 ARG 19 1HH2 ARG 19 3.176 -8.664 -3.625 151 2HH2 ARG 19 2HH2 ARG 19 1.960 -9.585 -2.784 152 H THR 20 H THR 20 7.245 -2.653 -2.382 153 HA THR 20 HA THR 20 8.120 -3.262 -5.112 154 HB THR 20 HB THR 20 6.961 -1.246 -5.805 155 HG1 THR 20 1HG THR 20 6.412 -0.859 -3.021 156 1HG2 THR 20 1HG2 THR 20 5.317 -2.894 -3.879 157 2HG2 THR 20 2HG2 THR 20 5.613 -3.260 -5.580 158 3HG2 THR 20 3HG2 THR 20 4.663 -1.841 -5.134 159 H GLY 21 H GLY 21 9.294 -1.779 -2.323 160 1HA GLY 21 2HA GLY 21 11.510 -0.978 -2.142 161 2HA GLY 21 1HA GLY 21 11.491 -0.606 -3.859 162 H CYS 22 H CYS 22 8.677 0.614 -3.159 163 HA CYS 22 HA CYS 22 9.721 3.161 -2.130 164 1HB CYS 22 2HB CYS 22 7.909 2.873 -4.538 165 2HB CYS 22 1HB CYS 22 8.517 4.382 -3.867 166 HA PRO 23 HA PRO 23 6.120 3.062 0.358 167 1HB PRO 23 2HB PRO 23 6.099 5.547 1.308 168 2HB PRO 23 1HB PRO 23 7.449 4.457 1.651 169 1HG PRO 23 2HG PRO 23 7.257 6.655 -0.376 170 2HG PRO 23 1HG PRO 23 8.594 6.254 0.717 171 1HD PRO 23 2HD PRO 23 8.470 5.494 -1.928 172 2HD PRO 23 1HD PRO 23 9.414 4.649 -0.686 173 H ASN 24 H ASN 24 6.005 4.518 -2.596 174 HA ASN 24 HA ASN 24 3.670 6.098 -2.405 175 1HB ASN 24 2HB ASN 24 4.781 4.586 -4.779 176 2HB ASN 24 1HB ASN 24 3.471 5.753 -4.863 177 1HD2 ASN 24 1HD2 ASN 24 4.478 7.175 -6.176 178 2HD2 ASN 24 2HD2 ASN 24 5.871 8.099 -5.712 179 H ALA 25 H ALA 25 2.068 5.144 -1.302 180 HA ALA 25 HA ALA 25 0.621 3.022 -2.661 181 1HB ALA 25 1HB ALA 25 1.400 2.803 0.244 182 2HB ALA 25 2HB ALA 25 2.075 1.842 -1.070 183 3HB ALA 25 3HB ALA 25 0.372 1.688 -0.646 184 H LYS 26 H LYS 26 -1.546 3.139 -2.362 185 HA LYS 26 HA LYS 26 -2.529 5.234 -0.543 186 1HB LYS 26 2HB LYS 26 -3.609 4.466 -3.260 187 2HB LYS 26 1HB LYS 26 -4.374 5.607 -2.163 188 1HG LYS 26 2HG LYS 26 -2.449 7.086 -2.331 189 2HG LYS 26 1HG LYS 26 -1.648 5.932 -3.401 190 1HD LYS 26 2HD LYS 26 -3.514 6.170 -4.998 191 2HD LYS 26 1HD LYS 26 -4.230 7.391 -3.945 192 1HE LYS 26 2HE LYS 26 -2.251 8.794 -4.218 193 2HE LYS 26 1HE LYS 26 -1.515 7.565 -5.247 194 1HZ LYS 26 1HZ LYS 26 -4.038 9.017 -5.847 195 2HZ LYS 26 2HZ LYS 26 -3.280 7.876 -6.848 196 3HZ LYS 26 3HZ LYS 26 -2.526 9.360 -6.533 197 H CYS 27 H CYS 27 -3.957 4.591 0.913 198 HA CYS 27 HA CYS 27 -4.933 1.865 0.865 199 1HB CYS 27 2HB CYS 27 -4.161 2.835 2.979 200 2HB CYS 27 1HB CYS 27 -5.365 4.112 2.852 201 H ILE 28 H ILE 28 -6.350 1.802 -0.865 202 HA ILE 28 HA ILE 28 -8.713 3.546 -0.646 203 HB ILE 28 HB ILE 28 -7.455 3.880 -2.738 204 1HG1 ILE 28 2HG1 ILE 28 -9.340 3.495 -4.321 205 2HG1 ILE 28 1HG1 ILE 28 -10.132 2.518 -3.089 206 1HG2 ILE 28 1HG2 ILE 28 -6.477 1.673 -2.961 207 2HG2 ILE 28 2HG2 ILE 28 -7.354 2.119 -4.426 208 3HG2 ILE 28 3HG2 ILE 28 -8.069 0.987 -3.280 209 1HD1 ILE 28 1HD1 ILE 28 -10.220 4.477 -1.617 210 2HD1 ILE 28 2HD1 ILE 28 -11.077 4.734 -3.134 211 3HD1 ILE 28 3HD1 ILE 28 -9.484 5.451 -2.890 212 H ASN 29 H ASN 29 -10.631 2.654 -0.363 213 HA ASN 29 HA ASN 29 -12.220 1.135 0.171 214 1HB ASN 29 2HB ASN 29 -10.897 -0.300 -2.127 215 2HB ASN 29 1HB ASN 29 -12.374 -0.869 -1.356 216 1HD2 ASN 29 1HD2 ASN 29 -11.893 0.034 -4.092 217 2HD2 ASN 29 2HD2 ASN 29 -13.007 1.340 -4.361 218 H LYS 30 H LYS 30 -9.968 1.069 1.798 219 HA LYS 30 HA LYS 30 -9.219 -0.123 3.580 220 1HB LYS 30 2HB LYS 30 -11.574 -0.886 3.698 221 2HB LYS 30 1HB LYS 30 -11.175 -2.236 2.652 222 1HG LYS 30 2HG LYS 30 -11.340 -2.875 5.011 223 2HG LYS 30 1HG LYS 30 -9.736 -3.174 4.343 224 1HD LYS 30 2HD LYS 30 -9.647 -2.212 6.603 225 2HD LYS 30 1HD LYS 30 -8.884 -1.176 5.400 226 1HE LYS 30 2HE LYS 30 -10.214 0.145 6.938 227 2HE LYS 30 1HE LYS 30 -10.905 0.207 5.319 228 1HZ LYS 30 1HZ LYS 30 -11.880 -1.577 7.491 229 2HZ LYS 30 2HZ LYS 30 -12.592 -1.349 5.965 230 3HZ LYS 30 3HZ LYS 30 -12.568 -0.079 7.089 231 H THR 31 H THR 31 -8.327 -0.621 0.623 232 HA THR 31 HA THR 31 -6.531 -2.842 1.309 233 HB THR 31 HB THR 31 -6.583 -3.464 -1.161 234 HG1 THR 31 1HG THR 31 -8.178 -1.350 -1.276 235 1HG2 THR 31 1HG2 THR 31 -8.619 -4.824 -0.925 236 2HG2 THR 31 2HG2 THR 31 -9.091 -3.859 0.474 237 3HG2 THR 31 3HG2 THR 31 -7.636 -4.854 0.539 238 H CYS 32 H CYS 32 -4.466 -2.342 1.137 239 HA CYS 32 HA CYS 32 -3.551 0.168 0.223 240 1HB CYS 32 2HB CYS 32 -2.019 -2.376 0.783 241 2HB CYS 32 1HB CYS 32 -1.288 -0.796 0.528 242 H LYS 33 H LYS 33 -3.434 0.812 -1.797 243 HA LYS 33 HA LYS 33 -2.771 -1.114 -3.908 244 1HB LYS 33 2HB LYS 33 -4.702 0.717 -3.943 245 2HB LYS 33 1HB LYS 33 -3.387 1.765 -4.453 246 1HG LYS 33 2HG LYS 33 -4.110 -0.806 -5.833 247 2HG LYS 33 1HG LYS 33 -4.735 0.771 -6.303 248 1HD LYS 33 2HD LYS 33 -2.500 1.553 -6.802 249 2HD LYS 33 1HD LYS 33 -1.810 0.036 -6.219 250 1HE LYS 33 2HE LYS 33 -2.896 -1.189 -7.997 251 2HE LYS 33 1HE LYS 33 -3.730 0.267 -8.532 252 1HZ LYS 33 1HZ LYS 33 -0.772 0.029 -8.509 253 2HZ LYS 33 2HZ LYS 33 -1.715 1.205 -9.282 254 3HZ LYS 33 3HZ LYS 33 -1.723 -0.390 -9.846 255 H CYS 34 H CYS 34 -0.580 -1.388 -3.750 256 HA CYS 34 HA CYS 34 1.199 0.819 -3.272 257 1HB CYS 34 2HB CYS 34 2.116 -1.835 -4.330 258 2HB CYS 34 1HB CYS 34 2.915 -0.757 -3.188 259 H TYR 35 H TYR 35 2.220 2.060 -4.745 260 HA TYR 35 HA TYR 35 1.778 1.425 -7.581 261 1HB TYR 35 2HB TYR 35 2.432 4.046 -6.227 262 2HB TYR 35 1HB TYR 35 2.315 3.836 -7.970 263 HD1 TYR 35 1HD TYR 35 0.179 3.597 -9.050 264 HD2 TYR 35 2HD TYR 35 0.430 3.942 -4.820 265 HE1 TYR 35 1HE TYR 35 -2.240 4.028 -8.950 266 HE2 TYR 35 2HE TYR 35 -1.993 4.365 -4.706 267 HH TYR 35 HH TYR 35 -4.074 3.894 -7.401 268 H GLY 36 H GLY 36 4.274 2.302 -5.250 269 1HA GLY 36 2HA GLY 36 6.551 1.826 -5.331 270 2HA GLY 36 1HA GLY 36 6.317 1.129 -6.929 271 H CYS 37 H CYS 37 8.243 2.239 -7.642 272 HA CYS 37 HA CYS 37 7.839 5.137 -7.989 273 1HB CYS 37 2HB CYS 37 10.362 3.485 -8.010 274 2HB CYS 37 1HB CYS 37 10.306 5.164 -8.537 275 H SER 38 H SER 38 6.619 3.061 -9.571 276 HA SER 38 HA SER 38 7.152 4.204 -12.144 277 1HB SER 38 2HB SER 38 7.646 1.241 -11.710 278 2HB SER 38 1HB SER 38 7.542 2.023 -13.288 279 HG SER 38 HG SER 38 9.289 3.348 -11.727 Start of MODEL 4 1 1H ILE 1 1HT ILE 1 -4.766 -6.942 -6.727 2 2H ILE 1 2HT ILE 1 -4.002 -8.383 -7.175 3 3H ILE 1 3HT ILE 1 -3.518 -6.915 -7.872 4 HA ILE 1 HA ILE 1 -1.931 -7.635 -6.225 5 HB ILE 1 HB ILE 1 -1.975 -5.628 -4.741 6 1HG1 ILE 1 2HG1 ILE 1 -4.545 -5.009 -6.219 7 2HG1 ILE 1 1HG1 ILE 1 -4.424 -5.449 -4.518 8 1HG2 ILE 1 1HG2 ILE 1 -1.659 -4.005 -6.545 9 2HG2 ILE 1 2HG2 ILE 1 -2.438 -5.114 -7.674 10 3HG2 ILE 1 3HG2 ILE 1 -0.907 -5.556 -6.919 11 1HD1 ILE 1 1HD1 ILE 1 -4.715 -3.053 -4.810 12 2HD1 ILE 1 2HD1 ILE 1 -3.247 -2.987 -5.786 13 3HD1 ILE 1 3HD1 ILE 1 -3.153 -3.420 -4.078 14 H GLU 2 H GLU 2 -1.435 -7.892 -3.979 15 HA GLU 2 HA GLU 2 -3.209 -9.606 -2.599 16 1HB GLU 2 2HB GLU 2 -0.738 -9.674 -2.426 17 2HB GLU 2 1HB GLU 2 -0.770 -8.134 -1.582 18 1HG GLU 2 2HG GLU 2 -2.099 -9.202 0.212 19 2HG GLU 2 1HG GLU 2 -1.910 -10.746 -0.622 20 H ALA 3 H ALA 3 -4.677 -9.202 -1.021 21 HA ALA 3 HA ALA 3 -5.537 -6.508 -0.602 22 1HB ALA 3 1HB ALA 3 -7.157 -8.312 -0.726 23 2HB ALA 3 2HB ALA 3 -7.257 -7.500 0.841 24 3HB ALA 3 3HB ALA 3 -6.454 -9.067 0.706 25 H ILE 4 H ILE 4 -3.553 -5.672 0.322 26 HA ILE 4 HA ILE 4 -2.852 -6.441 3.003 27 HB ILE 4 HB ILE 4 -2.111 -3.945 1.453 28 1HG1 ILE 4 2HG1 ILE 4 -0.562 -6.510 1.899 29 2HG1 ILE 4 1HG1 ILE 4 -1.329 -6.031 0.389 30 1HG2 ILE 4 1HG2 ILE 4 -0.911 -5.087 3.978 31 2HG2 ILE 4 2HG2 ILE 4 -1.883 -3.621 3.860 32 3HG2 ILE 4 3HG2 ILE 4 -0.301 -3.689 3.086 33 1HD1 ILE 4 1HD1 ILE 4 0.166 -4.118 0.227 34 2HD1 ILE 4 2HD1 ILE 4 1.070 -5.627 0.350 35 3HD1 ILE 4 3HD1 ILE 4 0.921 -4.572 1.755 36 H ARG 5 H ARG 5 -4.398 -6.176 4.480 37 HA ARG 5 HA ARG 5 -6.378 -4.154 4.388 38 1HB ARG 5 2HB ARG 5 -5.506 -6.099 6.511 39 2HB ARG 5 1HB ARG 5 -6.782 -4.924 6.799 40 1HG ARG 5 2HG ARG 5 -6.794 -7.013 4.622 41 2HG ARG 5 1HG ARG 5 -7.678 -7.105 6.153 42 1HD ARG 5 2HD ARG 5 -8.829 -4.986 5.530 43 2HD ARG 5 1HD ARG 5 -8.045 -5.077 3.955 44 HE ARG 5 HE ARG 5 -9.571 -7.423 4.694 45 1HH1 ARG 5 1HH1 ARG 5 -9.592 -4.305 3.108 46 2HH1 ARG 5 2HH1 ARG 5 -10.998 -4.658 2.141 47 1HH2 ARG 5 1HH2 ARG 5 -11.425 -7.902 3.424 48 2HH2 ARG 5 2HH2 ARG 5 -12.058 -6.691 2.349 49 H CYS 6 H CYS 6 -6.428 -2.156 5.218 50 HA CYS 6 HA CYS 6 -4.177 -1.302 6.890 51 1HB CYS 6 2HB CYS 6 -4.085 0.795 5.456 52 2HB CYS 6 1HB CYS 6 -3.461 -0.680 4.722 53 H GLY 7 H GLY 7 -4.505 0.634 8.046 54 1HA GLY 7 2HA GLY 7 -7.313 1.550 8.183 55 2HA GLY 7 1HA GLY 7 -6.221 1.536 9.568 56 H GLY 8 H GLY 8 -5.282 2.424 6.339 57 1HA GLY 8 2HA GLY 8 -5.501 5.086 6.121 58 2HA GLY 8 1HA GLY 8 -4.242 4.929 7.343 59 H SER 9 H SER 9 -4.070 6.002 4.582 60 HA SER 9 HA SER 9 -2.655 4.135 2.983 61 1HB SER 9 2HB SER 9 -2.594 7.160 2.958 62 2HB SER 9 1HB SER 9 -1.934 6.120 1.695 63 HG SER 9 HG SER 9 -4.628 6.531 2.443 64 H ARG 10 H ARG 10 -1.730 6.312 5.549 65 HA ARG 10 HA ARG 10 1.076 6.088 5.264 66 1HB ARG 10 2HB ARG 10 -0.610 6.574 7.722 67 2HB ARG 10 1HB ARG 10 1.138 6.741 7.668 68 1HG ARG 10 2HG ARG 10 0.948 8.530 6.053 69 2HG ARG 10 1HG ARG 10 -0.806 8.331 6.012 70 1HD ARG 10 2HD ARG 10 -0.083 10.214 7.437 71 2HD ARG 10 1HD ARG 10 -0.982 8.983 8.323 72 HE ARG 10 HE ARG 10 1.391 8.162 8.926 73 1HH1 ARG 10 1HH1 ARG 10 0.453 11.512 8.514 74 2HH1 ARG 10 2HH1 ARG 10 1.618 12.099 9.658 75 1HH2 ARG 10 1HH2 ARG 10 2.912 8.930 10.410 76 2HH2 ARG 10 2HH2 ARG 10 3.029 10.635 10.733 77 H ASP 11 H ASP 11 -1.307 3.888 6.263 78 HA ASP 11 HA ASP 11 0.460 2.254 7.892 79 1HB ASP 11 2HB ASP 11 -1.949 2.560 8.471 80 2HB ASP 11 1HB ASP 11 -2.393 1.750 6.973 81 H CYS 12 H CYS 12 -0.342 2.715 4.687 82 HA CYS 12 HA CYS 12 0.171 -0.014 3.817 83 1HB CYS 12 2HB CYS 12 -0.631 2.502 2.378 84 2HB CYS 12 1HB CYS 12 -0.286 0.991 1.543 85 H TYR 13 H TYR 13 1.906 2.869 4.334 86 HA TYR 13 HA TYR 13 3.692 2.799 2.165 87 1HB TYR 13 2HB TYR 13 4.108 3.926 4.937 88 2HB TYR 13 1HB TYR 13 5.187 4.188 3.564 89 HD1 TYR 13 1HD TYR 13 2.642 4.252 1.631 90 HD2 TYR 13 2HD TYR 13 3.804 6.389 5.121 91 HE1 TYR 13 1HE TYR 13 1.261 6.148 0.911 92 HE2 TYR 13 2HE TYR 13 2.421 8.301 4.413 93 HH TYR 13 HH TYR 13 1.484 9.219 2.284 94 H ARG 14 H ARG 14 4.239 1.603 5.513 95 HA ARG 14 HA ARG 14 6.788 0.652 5.025 96 1HB ARG 14 2HB ARG 14 5.706 0.834 7.274 97 2HB ARG 14 1HB ARG 14 4.833 -0.650 6.919 98 1HG ARG 14 2HG ARG 14 7.809 -0.615 6.711 99 2HG ARG 14 1HG ARG 14 7.045 -0.711 8.301 100 1HD ARG 14 2HD ARG 14 5.977 -2.751 7.764 101 2HD ARG 14 1HD ARG 14 6.343 -2.571 6.047 102 HE ARG 14 HE ARG 14 8.738 -2.648 7.546 103 1HH1 ARG 14 1HH1 ARG 14 6.126 -4.736 6.491 104 2HH1 ARG 14 2HH1 ARG 14 7.128 -6.152 6.405 105 1HH2 ARG 14 1HH2 ARG 14 10.051 -4.493 7.437 106 2HH2 ARG 14 2HH2 ARG 14 9.373 -6.017 6.936 107 HA PRO 15 HA PRO 15 4.938 -3.760 3.877 108 1HB PRO 15 2HB PRO 15 2.460 -3.411 2.611 109 2HB PRO 15 1HB PRO 15 2.733 -4.165 4.181 110 1HG PRO 15 2HG PRO 15 1.825 -1.416 3.533 111 2HG PRO 15 1HG PRO 15 1.439 -2.432 4.933 112 1HD PRO 15 2HD PRO 15 3.141 -0.344 5.095 113 2HD PRO 15 1HD PRO 15 3.347 -1.811 6.070 114 H CYS 16 H CYS 16 3.400 -1.232 1.836 115 HA CYS 16 HA CYS 16 4.174 -2.515 -0.554 116 1HB CYS 16 2HB CYS 16 3.421 0.387 -0.181 117 2HB CYS 16 1HB CYS 16 3.408 -0.508 -1.691 118 H GLN 17 H GLN 17 5.706 0.004 1.376 119 HA GLN 17 HA GLN 17 7.623 0.808 -0.537 120 1HB GLN 17 2HB GLN 17 7.004 2.014 1.638 121 2HB GLN 17 1HB GLN 17 8.024 0.828 2.457 122 1HG GLN 17 2HG GLN 17 9.839 1.584 0.757 123 2HG GLN 17 1HG GLN 17 8.813 3.007 0.583 124 1HE2 GLN 17 1HE2 GLN 17 8.569 4.412 2.328 125 2HE2 GLN 17 2HE2 GLN 17 9.650 4.392 3.679 126 H LYS 18 H LYS 18 7.647 -1.669 1.995 127 HA LYS 18 HA LYS 18 10.393 -2.343 1.509 128 1HB LYS 18 2HB LYS 18 8.274 -3.708 3.164 129 2HB LYS 18 1HB LYS 18 9.954 -4.218 3.099 130 1HG LYS 18 2HG LYS 18 9.043 -1.494 4.012 131 2HG LYS 18 1HG LYS 18 9.371 -2.849 5.089 132 1HD LYS 18 2HD LYS 18 11.327 -1.534 5.112 133 2HD LYS 18 1HD LYS 18 11.699 -2.905 4.070 134 1HE LYS 18 2HE LYS 18 11.210 -1.504 2.098 135 2HE LYS 18 1HE LYS 18 10.920 -0.133 3.167 136 1HZ LYS 18 1HZ LYS 18 13.184 -0.268 2.130 137 2HZ LYS 18 2HZ LYS 18 13.490 -1.610 3.120 138 3HZ LYS 18 3HZ LYS 18 13.168 -0.099 3.815 139 H ARG 19 H ARG 19 7.362 -3.346 0.228 140 HA ARG 19 HA ARG 19 8.346 -5.868 -0.781 141 1HB ARG 19 2HB ARG 19 5.778 -4.379 -1.357 142 2HB ARG 19 1HB ARG 19 6.153 -5.993 -1.943 143 1HG ARG 19 2HG ARG 19 6.213 -6.837 0.322 144 2HG ARG 19 1HG ARG 19 5.940 -5.210 0.959 145 1HD ARG 19 2HD ARG 19 3.849 -6.337 1.001 146 2HD ARG 19 1HD ARG 19 3.789 -5.172 -0.320 147 HE ARG 19 HE ARG 19 4.373 -7.205 -1.770 148 1HH1 ARG 19 1HH1 ARG 19 2.501 -7.360 1.181 149 2HH1 ARG 19 2HH1 ARG 19 1.567 -8.735 0.680 150 1HH2 ARG 19 1HH2 ARG 19 3.146 -9.041 -2.432 151 2HH2 ARG 19 2HH2 ARG 19 1.940 -9.694 -1.363 152 H THR 20 H THR 20 7.834 -2.614 -2.014 153 HA THR 20 HA THR 20 8.573 -3.556 -4.701 154 HB THR 20 HB THR 20 7.495 -1.558 -5.582 155 HG1 THR 20 1HG THR 20 6.672 -0.950 -2.918 156 1HG2 THR 20 1HG2 THR 20 6.106 -3.537 -5.221 157 2HG2 THR 20 2HG2 THR 20 5.174 -2.065 -4.946 158 3HG2 THR 20 3HG2 THR 20 5.759 -3.009 -3.572 159 H GLY 21 H GLY 21 9.437 -1.283 -2.179 160 1HA GLY 21 2HA GLY 21 11.783 -0.586 -2.088 161 2HA GLY 21 1HA GLY 21 11.716 -0.399 -3.837 162 H CYS 22 H CYS 22 8.854 0.706 -3.227 163 HA CYS 22 HA CYS 22 9.673 3.367 -2.304 164 1HB CYS 22 2HB CYS 22 8.175 2.765 -4.865 165 2HB CYS 22 1HB CYS 22 8.319 4.372 -4.167 166 HA PRO 23 HA PRO 23 5.996 3.016 0.036 167 1HB PRO 23 2HB PRO 23 5.809 5.482 1.003 168 2HB PRO 23 1HB PRO 23 7.218 4.475 1.367 169 1HG PRO 23 2HG PRO 23 6.927 6.657 -0.668 170 2HG PRO 23 1HG PRO 23 8.255 6.355 0.458 171 1HD PRO 23 2HD PRO 23 8.262 5.589 -2.175 172 2HD PRO 23 1HD PRO 23 9.220 4.801 -0.905 173 H ASN 24 H ASN 24 5.838 4.316 -2.923 174 HA ASN 24 HA ASN 24 3.473 5.828 -2.941 175 1HB ASN 24 2HB ASN 24 4.617 3.980 -5.042 176 2HB ASN 24 1HB ASN 24 3.239 5.037 -5.317 177 1HD2 ASN 24 1HD2 ASN 24 5.892 4.917 -6.537 178 2HD2 ASN 24 2HD2 ASN 24 6.551 6.514 -6.389 179 H ALA 25 H ALA 25 1.799 5.078 -1.755 180 HA ALA 25 HA ALA 25 0.405 2.730 -2.707 181 1HB ALA 25 1HB ALA 25 1.370 2.874 0.146 182 2HB ALA 25 2HB ALA 25 1.953 1.761 -1.090 183 3HB ALA 25 3HB ALA 25 0.288 1.651 -0.521 184 H LYS 26 H LYS 26 -1.755 2.747 -2.223 185 HA LYS 26 HA LYS 26 -2.748 4.981 -0.582 186 1HB LYS 26 2HB LYS 26 -3.976 3.878 -3.119 187 2HB LYS 26 1HB LYS 26 -4.705 5.100 -2.092 188 1HG LYS 26 2HG LYS 26 -2.867 6.623 -2.586 189 2HG LYS 26 1HG LYS 26 -2.124 5.393 -3.612 190 1HD LYS 26 2HD LYS 26 -4.191 5.391 -4.998 191 2HD LYS 26 1HD LYS 26 -4.795 6.732 -4.026 192 1HE LYS 26 2HE LYS 26 -2.879 8.090 -4.707 193 2HE LYS 26 1HE LYS 26 -2.265 6.744 -5.667 194 1HZ LYS 26 1HZ LYS 26 -4.271 6.853 -7.026 195 2HZ LYS 26 2HZ LYS 26 -3.434 8.328 -7.048 196 3HZ LYS 26 3HZ LYS 26 -4.837 8.164 -6.111 197 H CYS 27 H CYS 27 -4.230 4.429 0.937 198 HA CYS 27 HA CYS 27 -4.944 1.623 1.211 199 1HB CYS 27 2HB CYS 27 -4.256 2.947 3.187 200 2HB CYS 27 1HB CYS 27 -5.643 4.000 2.951 201 H ILE 28 H ILE 28 -6.114 1.763 -0.860 202 HA ILE 28 HA ILE 28 -8.527 3.357 -0.911 203 HB ILE 28 HB ILE 28 -7.123 3.143 -2.933 204 1HG1 ILE 28 2HG1 ILE 28 -8.967 2.602 -4.529 205 2HG1 ILE 28 1HG1 ILE 28 -9.919 2.020 -3.168 206 1HG2 ILE 28 1HG2 ILE 28 -6.367 0.863 -2.660 207 2HG2 ILE 28 2HG2 ILE 28 -7.149 1.064 -4.228 208 3HG2 ILE 28 3HG2 ILE 28 -8.008 0.272 -2.904 209 1HD1 ILE 28 1HD1 ILE 28 -10.597 4.250 -3.755 210 2HD1 ILE 28 2HD1 ILE 28 -8.941 4.832 -3.595 211 3HD1 ILE 28 3HD1 ILE 28 -9.818 4.267 -2.174 212 H ASN 29 H ASN 29 -10.351 2.705 -0.159 213 HA ASN 29 HA ASN 29 -11.985 1.450 0.797 214 1HB ASN 29 2HB ASN 29 -11.295 -0.436 -1.464 215 2HB ASN 29 1HB ASN 29 -12.773 -0.484 -0.510 216 1HD2 ASN 29 1HD2 ASN 29 -11.150 0.925 -3.144 217 2HD2 ASN 29 2HD2 ASN 29 -12.390 2.036 -3.623 218 H LYS 30 H LYS 30 -9.666 1.198 2.161 219 HA LYS 30 HA LYS 30 -8.790 0.020 3.889 220 1HB LYS 30 2HB LYS 30 -11.292 -0.586 4.114 221 2HB LYS 30 1HB LYS 30 -10.817 -2.139 3.452 222 1HG LYS 30 2HG LYS 30 -8.988 -1.779 5.454 223 2HG LYS 30 1HG LYS 30 -10.446 -1.050 6.128 224 1HD LYS 30 2HD LYS 30 -10.185 -3.845 5.020 225 2HD LYS 30 1HD LYS 30 -10.320 -3.402 6.721 226 1HE LYS 30 2HE LYS 30 -12.418 -2.822 4.638 227 2HE LYS 30 1HE LYS 30 -12.437 -4.227 5.703 228 1HZ LYS 30 1HZ LYS 30 -12.473 -1.397 6.610 229 2HZ LYS 30 2HZ LYS 30 -12.559 -2.767 7.604 230 3HZ LYS 30 3HZ LYS 30 -13.823 -2.415 6.530 231 H THR 31 H THR 31 -8.058 -0.543 1.029 232 HA THR 31 HA THR 31 -6.396 -2.861 1.671 233 HB THR 31 HB THR 31 -6.616 -3.569 -0.797 234 HG1 THR 31 1HG THR 31 -8.287 -1.517 -0.802 235 1HG2 THR 31 1HG2 THR 31 -7.440 -4.937 1.041 236 2HG2 THR 31 2HG2 THR 31 -8.555 -4.993 -0.326 237 3HG2 THR 31 3HG2 THR 31 -8.936 -4.003 1.083 238 H CYS 32 H CYS 32 -4.332 -2.579 1.143 239 HA CYS 32 HA CYS 32 -3.486 -0.020 0.226 240 1HB CYS 32 2HB CYS 32 -1.889 -2.524 0.772 241 2HB CYS 32 1HB CYS 32 -1.212 -0.919 0.513 242 H LYS 33 H LYS 33 -3.268 0.627 -1.750 243 HA LYS 33 HA LYS 33 -2.823 -1.287 -3.927 244 1HB LYS 33 2HB LYS 33 -4.491 0.884 -3.766 245 2HB LYS 33 1HB LYS 33 -3.083 1.596 -4.536 246 1HG LYS 33 2HG LYS 33 -4.562 -0.823 -5.552 247 2HG LYS 33 1HG LYS 33 -4.784 0.823 -6.139 248 1HD LYS 33 2HD LYS 33 -2.440 0.887 -6.844 249 2HD LYS 33 1HD LYS 33 -2.217 -0.759 -6.247 250 1HE LYS 33 2HE LYS 33 -3.898 -1.557 -7.838 251 2HE LYS 33 1HE LYS 33 -4.111 0.085 -8.439 252 1HZ LYS 33 1HZ LYS 33 -1.878 0.097 -9.249 253 2HZ LYS 33 2HZ LYS 33 -2.623 -1.311 -9.819 254 3HZ LYS 33 3HZ LYS 33 -1.537 -1.395 -8.525 255 H CYS 34 H CYS 34 -0.649 -1.762 -3.724 256 HA CYS 34 HA CYS 34 1.286 0.325 -3.235 257 1HB CYS 34 2HB CYS 34 1.943 -2.507 -4.015 258 2HB CYS 34 1HB CYS 34 2.885 -1.390 -3.030 259 H TYR 35 H TYR 35 1.612 1.685 -4.904 260 HA TYR 35 HA TYR 35 1.485 0.806 -7.633 261 1HB TYR 35 2HB TYR 35 2.269 3.454 -6.407 262 2HB TYR 35 1HB TYR 35 2.168 3.167 -8.143 263 HD1 TYR 35 1HD TYR 35 0.039 2.968 -9.247 264 HD2 TYR 35 2HD TYR 35 0.241 3.492 -5.029 265 HE1 TYR 35 1HE TYR 35 -2.365 3.479 -9.202 266 HE2 TYR 35 2HE TYR 35 -2.168 4.001 -4.972 267 HH TYR 35 HH TYR 35 -4.218 3.448 -7.660 268 H GLY 36 H GLY 36 4.015 1.470 -5.317 269 1HA GLY 36 2HA GLY 36 6.149 0.527 -5.349 270 2HA GLY 36 1HA GLY 36 5.875 0.022 -7.010 271 H CYS 37 H CYS 37 7.966 0.770 -7.555 272 HA CYS 37 HA CYS 37 8.511 3.609 -7.285 273 1HB CYS 37 2HB CYS 37 10.184 1.368 -8.427 274 2HB CYS 37 1HB CYS 37 10.715 3.037 -8.250 275 H SER 38 H SER 38 6.800 4.278 -8.685 276 HA SER 38 HA SER 38 7.489 3.971 -11.525 277 1HB SER 38 2HB SER 38 5.052 4.430 -11.957 278 2HB SER 38 1HB SER 38 5.372 2.917 -11.106 279 HG SER 38 HG SER 38 4.914 5.215 -9.580 Start of MODEL 5 1 1H ILE 1 1HT ILE 1 -0.228 -6.973 -5.005 2 2H ILE 1 2HT ILE 1 0.226 -6.702 -3.391 3 3H ILE 1 3HT ILE 1 0.511 -5.512 -4.565 4 HA ILE 1 HA ILE 1 -1.401 -4.981 -3.148 5 HB ILE 1 HB ILE 1 -2.363 -5.606 -5.944 6 1HG1 ILE 1 2HG1 ILE 1 -0.660 -3.247 -5.112 7 2HG1 ILE 1 1HG1 ILE 1 -0.061 -4.634 -6.014 8 1HG2 ILE 1 1HG2 ILE 1 -3.586 -3.499 -5.685 9 2HG2 ILE 1 2HG2 ILE 1 -2.912 -3.302 -4.071 10 3HG2 ILE 1 3HG2 ILE 1 -4.003 -4.642 -4.412 11 1HD1 ILE 1 1HD1 ILE 1 -0.498 -2.761 -7.483 12 2HD1 ILE 1 2HD1 ILE 1 -2.176 -2.703 -6.939 13 3HD1 ILE 1 3HD1 ILE 1 -1.588 -4.100 -7.840 14 H GLU 2 H GLU 2 -1.048 -7.592 -2.448 15 HA GLU 2 HA GLU 2 -3.337 -9.179 -3.207 16 1HB GLU 2 2HB GLU 2 -2.299 -10.789 -1.506 17 2HB GLU 2 1HB GLU 2 -1.380 -10.447 -2.962 18 1HG GLU 2 2HG GLU 2 -0.883 -8.919 -0.428 19 2HG GLU 2 1HG GLU 2 -0.147 -10.497 -0.707 20 H ALA 3 H ALA 3 -4.519 -7.141 -2.247 21 HA ALA 3 HA ALA 3 -5.870 -6.208 -0.684 22 1HB ALA 3 1HB ALA 3 -7.110 -7.788 0.760 23 2HB ALA 3 2HB ALA 3 -6.061 -9.084 0.175 24 3HB ALA 3 3HB ALA 3 -7.116 -8.223 -0.949 25 H ILE 4 H ILE 4 -3.630 -5.358 0.047 26 HA ILE 4 HA ILE 4 -2.858 -6.181 2.686 27 HB ILE 4 HB ILE 4 -2.153 -3.672 1.146 28 1HG1 ILE 4 2HG1 ILE 4 -0.583 -6.229 1.559 29 2HG1 ILE 4 1HG1 ILE 4 -1.390 -5.760 0.066 30 1HG2 ILE 4 1HG2 ILE 4 -0.917 -4.817 3.648 31 2HG2 ILE 4 2HG2 ILE 4 -1.895 -3.354 3.548 32 3HG2 ILE 4 3HG2 ILE 4 -0.323 -3.418 2.754 33 1HD1 ILE 4 1HD1 ILE 4 0.986 -5.335 -0.063 34 2HD1 ILE 4 2HD1 ILE 4 0.904 -4.317 1.375 35 3HD1 ILE 4 3HD1 ILE 4 0.088 -3.817 -0.108 36 H ARG 5 H ARG 5 -4.147 -5.826 4.343 37 HA ARG 5 HA ARG 5 -6.302 -3.937 4.168 38 1HB ARG 5 2HB ARG 5 -5.401 -5.764 6.399 39 2HB ARG 5 1HB ARG 5 -6.862 -4.785 6.445 40 1HG ARG 5 2HG ARG 5 -6.283 -6.938 4.412 41 2HG ARG 5 1HG ARG 5 -7.312 -7.120 5.837 42 1HD ARG 5 2HD ARG 5 -8.701 -5.232 4.960 43 2HD ARG 5 1HD ARG 5 -7.742 -5.294 3.481 44 HE ARG 5 HE ARG 5 -8.785 -7.859 4.106 45 1HH1 ARG 5 1HH1 ARG 5 -9.698 -4.750 2.764 46 2HH1 ARG 5 2HH1 ARG 5 -11.065 -5.391 1.894 47 1HH2 ARG 5 1HH2 ARG 5 -10.549 -8.703 2.936 48 2HH2 ARG 5 2HH2 ARG 5 -11.551 -7.639 1.999 49 H CYS 6 H CYS 6 -6.567 -2.038 5.273 50 HA CYS 6 HA CYS 6 -4.304 -1.026 6.808 51 1HB CYS 6 2HB CYS 6 -4.248 1.003 5.329 52 2HB CYS 6 1HB CYS 6 -3.672 -0.477 4.565 53 H GLY 7 H GLY 7 -4.760 0.777 8.071 54 1HA GLY 7 2HA GLY 7 -7.566 1.696 8.057 55 2HA GLY 7 1HA GLY 7 -6.540 1.671 9.489 56 H GLY 8 H GLY 8 -4.930 2.496 6.658 57 1HA GLY 8 2HA GLY 8 -5.388 5.226 6.373 58 2HA GLY 8 1HA GLY 8 -4.154 5.026 7.612 59 H SER 9 H SER 9 -3.577 6.339 5.242 60 HA SER 9 HA SER 9 -2.459 4.652 3.273 61 1HB SER 9 2HB SER 9 -2.985 7.007 2.829 62 2HB SER 9 1HB SER 9 -1.733 7.511 3.968 63 HG SER 9 HG SER 9 -1.466 6.341 1.423 64 H ARG 10 H ARG 10 -1.246 5.841 6.338 65 HA ARG 10 HA ARG 10 1.486 5.154 5.817 66 1HB ARG 10 2HB ARG 10 0.101 5.575 8.468 67 2HB ARG 10 1HB ARG 10 1.838 5.511 8.208 68 1HG ARG 10 2HG ARG 10 1.520 7.481 6.637 69 2HG ARG 10 1HG ARG 10 -0.098 7.623 7.327 70 1HD ARG 10 2HD ARG 10 2.523 7.775 8.802 71 2HD ARG 10 1HD ARG 10 1.414 9.105 8.487 72 HE ARG 10 HE ARG 10 0.193 6.961 9.959 73 1HH1 ARG 10 1HH1 ARG 10 2.159 9.852 10.211 74 2HH1 ARG 10 2HH1 ARG 10 1.793 10.103 11.895 75 1HH2 ARG 10 1HH2 ARG 10 -0.319 7.319 12.157 76 2HH2 ARG 10 2HH2 ARG 10 0.372 8.679 12.988 77 H ASP 11 H ASP 11 -1.275 3.371 6.501 78 HA ASP 11 HA ASP 11 0.085 1.123 7.732 79 1HB ASP 11 2HB ASP 11 -2.728 1.729 6.914 80 2HB ASP 11 1HB ASP 11 -2.248 0.036 7.009 81 H CYS 12 H CYS 12 -0.172 2.454 4.742 82 HA CYS 12 HA CYS 12 -0.030 -0.087 3.295 83 1HB CYS 12 2HB CYS 12 -0.586 2.737 2.401 84 2HB CYS 12 1HB CYS 12 -0.447 1.369 1.294 85 H TYR 13 H TYR 13 1.823 2.708 4.185 86 HA TYR 13 HA TYR 13 3.733 2.648 2.134 87 1HB TYR 13 2HB TYR 13 4.139 3.534 4.998 88 2HB TYR 13 1HB TYR 13 5.197 3.905 3.640 89 HD1 TYR 13 1HD TYR 13 3.647 5.792 5.604 90 HD2 TYR 13 2HD TYR 13 2.910 4.431 1.644 91 HE1 TYR 13 1HE TYR 13 2.327 7.819 5.160 92 HE2 TYR 13 2HE TYR 13 1.595 6.454 1.185 93 HH TYR 13 HH TYR 13 0.294 8.132 2.502 94 H ARG 14 H ARG 14 4.008 1.336 5.451 95 HA ARG 14 HA ARG 14 6.525 0.281 5.235 96 1HB ARG 14 2HB ARG 14 5.270 0.410 7.340 97 2HB ARG 14 1HB ARG 14 4.235 -0.905 6.808 98 1HG ARG 14 2HG ARG 14 7.150 -1.421 6.833 99 2HG ARG 14 1HG ARG 14 6.340 -1.267 8.396 100 1HD ARG 14 2HD ARG 14 4.729 -3.000 7.703 101 2HD ARG 14 1HD ARG 14 5.592 -3.168 6.174 102 HE ARG 14 HE ARG 14 7.539 -3.604 7.980 103 1HH1 ARG 14 1HH1 ARG 14 4.302 -4.907 7.666 104 2HH1 ARG 14 2HH1 ARG 14 4.714 -6.434 8.385 105 1HH2 ARG 14 1HH2 ARG 14 8.086 -5.610 8.920 106 2HH2 ARG 14 2HH2 ARG 14 6.859 -6.830 9.120 107 HA PRO 15 HA PRO 15 4.822 -4.024 3.686 108 1HB PRO 15 2HB PRO 15 2.425 -3.828 2.320 109 2HB PRO 15 1HB PRO 15 2.601 -4.427 3.972 110 1HG PRO 15 2HG PRO 15 1.777 -1.726 3.010 111 2HG PRO 15 1HG PRO 15 1.159 -2.667 4.380 112 1HD PRO 15 2HD PRO 15 2.853 -0.610 4.728 113 2HD PRO 15 1HD PRO 15 2.922 -2.060 5.753 114 H CYS 16 H CYS 16 3.330 -1.448 1.667 115 HA CYS 16 HA CYS 16 4.166 -2.623 -0.744 116 1HB CYS 16 2HB CYS 16 3.424 0.261 -0.233 117 2HB CYS 16 1HB CYS 16 3.504 -0.514 -1.807 118 H GLN 17 H GLN 17 5.680 -0.200 1.317 119 HA GLN 17 HA GLN 17 7.662 0.611 -0.547 120 1HB GLN 17 2HB GLN 17 6.918 1.820 1.584 121 2HB GLN 17 1HB GLN 17 7.939 0.679 2.455 122 1HG GLN 17 2HG GLN 17 9.861 1.458 1.048 123 2HG GLN 17 1HG GLN 17 8.797 2.711 0.417 124 1HE2 GLN 17 1HE2 GLN 17 8.630 1.577 3.707 125 2HE2 GLN 17 2HE2 GLN 17 9.226 3.026 4.447 126 H LYS 18 H LYS 18 7.550 -1.862 1.969 127 HA LYS 18 HA LYS 18 10.303 -2.521 1.768 128 1HB LYS 18 2HB LYS 18 8.908 -2.831 3.799 129 2HB LYS 18 1HB LYS 18 8.013 -4.091 2.958 130 1HG LYS 18 2HG LYS 18 9.638 -5.094 4.405 131 2HG LYS 18 1HG LYS 18 10.088 -5.357 2.721 132 1HD LYS 18 2HD LYS 18 11.773 -3.678 2.816 133 2HD LYS 18 1HD LYS 18 11.210 -3.115 4.388 134 1HE LYS 18 2HE LYS 18 12.428 -5.813 3.813 135 2HE LYS 18 1HE LYS 18 13.254 -4.453 4.575 136 1HZ LYS 18 1HZ LYS 18 12.539 -5.878 6.297 137 2HZ LYS 18 2HZ LYS 18 10.984 -6.026 5.643 138 3HZ LYS 18 3HZ LYS 18 11.476 -4.553 6.323 139 H ARG 19 H ARG 19 7.363 -3.576 0.219 140 HA ARG 19 HA ARG 19 8.503 -6.012 -0.833 141 1HB ARG 19 2HB ARG 19 5.880 -4.663 -1.494 142 2HB ARG 19 1HB ARG 19 6.347 -6.288 -1.975 143 1HG ARG 19 2HG ARG 19 6.398 -6.990 0.337 144 2HG ARG 19 1HG ARG 19 6.022 -5.348 0.862 145 1HD ARG 19 2HD ARG 19 3.991 -6.547 0.953 146 2HD ARG 19 1HD ARG 19 3.899 -5.537 -0.490 147 HE ARG 19 HE ARG 19 3.945 -7.439 -1.804 148 1HH1 ARG 19 1HH1 ARG 19 4.549 -8.245 1.549 149 2HH1 ARG 19 2HH1 ARG 19 4.318 -9.956 1.310 150 1HH2 ARG 19 1HH2 ARG 19 3.641 -9.689 -2.120 151 2HH2 ARG 19 2HH2 ARG 19 3.847 -10.774 -0.779 152 H THR 20 H THR 20 7.642 -2.819 -2.110 153 HA THR 20 HA THR 20 8.551 -3.671 -4.761 154 HB THR 20 HB THR 20 7.481 -1.674 -5.629 155 HG1 THR 20 1HG THR 20 6.669 -1.038 -2.970 156 1HG2 THR 20 1HG2 THR 20 6.034 -3.601 -5.287 157 2HG2 THR 20 2HG2 THR 20 5.142 -2.118 -4.947 158 3HG2 THR 20 3HG2 THR 20 5.740 -3.114 -3.618 159 H GLY 21 H GLY 21 9.203 -1.270 -2.262 160 1HA GLY 21 2HA GLY 21 11.665 -0.756 -2.103 161 2HA GLY 21 1HA GLY 21 11.539 -0.371 -3.815 162 H CYS 22 H CYS 22 8.772 0.761 -3.253 163 HA CYS 22 HA CYS 22 9.682 3.300 -2.065 164 1HB CYS 22 2HB CYS 22 7.922 3.003 -4.511 165 2HB CYS 22 1HB CYS 22 8.445 4.518 -3.791 166 HA PRO 23 HA PRO 23 6.049 2.990 0.361 167 1HB PRO 23 2HB PRO 23 5.843 5.497 1.280 168 2HB PRO 23 1HB PRO 23 7.203 4.458 1.724 169 1HG PRO 23 2HG PRO 23 7.071 6.636 -0.324 170 2HG PRO 23 1HG PRO 23 8.352 6.278 0.848 171 1HD PRO 23 2HD PRO 23 8.434 5.522 -1.790 172 2HD PRO 23 1HD PRO 23 9.291 4.673 -0.488 173 H ASN 24 H ASN 24 5.963 4.545 -2.570 174 HA ASN 24 HA ASN 24 3.606 6.039 -2.521 175 1HB ASN 24 2HB ASN 24 4.786 4.394 -4.775 176 2HB ASN 24 1HB ASN 24 3.458 5.534 -4.969 177 1HD2 ASN 24 1HD2 ASN 24 6.190 5.475 -6.096 178 2HD2 ASN 24 2HD2 ASN 24 6.889 7.005 -5.672 179 H ALA 25 H ALA 25 1.869 5.226 -1.501 180 HA ALA 25 HA ALA 25 0.405 3.089 -2.750 181 1HB ALA 25 1HB ALA 25 0.238 1.670 -0.777 182 2HB ALA 25 2HB ALA 25 1.341 2.731 0.099 183 3HB ALA 25 3HB ALA 25 1.916 1.814 -1.293 184 H LYS 26 H LYS 26 -1.766 2.983 -2.004 185 HA LYS 26 HA LYS 26 -2.594 5.161 -0.215 186 1HB LYS 26 2HB LYS 26 -3.733 4.476 -2.932 187 2HB LYS 26 1HB LYS 26 -4.562 5.498 -1.767 188 1HG LYS 26 2HG LYS 26 -2.666 7.064 -1.821 189 2HG LYS 26 1HG LYS 26 -1.892 6.050 -3.042 190 1HD LYS 26 2HD LYS 26 -3.840 6.387 -4.516 191 2HD LYS 26 1HD LYS 26 -4.552 7.451 -3.302 192 1HE LYS 26 2HE LYS 26 -2.623 8.950 -3.504 193 2HE LYS 26 1HE LYS 26 -1.937 7.889 -4.734 194 1HZ LYS 26 1HZ LYS 26 -3.966 8.283 -6.068 195 2HZ LYS 26 2HZ LYS 26 -3.047 9.688 -5.809 196 3HZ LYS 26 3HZ LYS 26 -4.467 9.429 -4.919 197 H CYS 27 H CYS 27 -4.431 4.770 0.983 198 HA CYS 27 HA CYS 27 -5.178 1.944 1.180 199 1HB CYS 27 2HB CYS 27 -4.358 3.051 3.226 200 2HB CYS 27 1HB CYS 27 -5.648 4.239 3.101 201 H ILE 28 H ILE 28 -6.797 1.578 -0.247 202 HA ILE 28 HA ILE 28 -9.186 3.258 0.020 203 HB ILE 28 HB ILE 28 -7.969 3.958 -2.015 204 1HG1 ILE 28 2HG1 ILE 28 -9.862 3.685 -3.612 205 2HG1 ILE 28 1HG1 ILE 28 -10.579 2.511 -2.513 206 1HG2 ILE 28 1HG2 ILE 28 -7.833 2.433 -3.937 207 2HG2 ILE 28 2HG2 ILE 28 -8.414 1.119 -2.914 208 3HG2 ILE 28 3HG2 ILE 28 -6.862 1.883 -2.572 209 1HD1 ILE 28 1HD1 ILE 28 -10.060 5.413 -1.909 210 2HD1 ILE 28 2HD1 ILE 28 -10.764 4.237 -0.800 211 3HD1 ILE 28 3HD1 ILE 28 -11.623 4.682 -2.274 212 H ASN 29 H ASN 29 -11.042 2.166 0.166 213 HA ASN 29 HA ASN 29 -12.547 0.460 0.271 214 1HB ASN 29 2HB ASN 29 -10.829 -0.751 -1.912 215 2HB ASN 29 1HB ASN 29 -12.472 -1.238 -1.506 216 1HD2 ASN 29 1HD2 ASN 29 -11.183 -0.082 -3.958 217 2HD2 ASN 29 2HD2 ASN 29 -12.183 1.276 -4.369 218 H LYS 30 H LYS 30 -10.347 0.461 2.041 219 HA LYS 30 HA LYS 30 -9.299 -0.784 3.604 220 1HB LYS 30 2HB LYS 30 -11.671 -2.382 2.890 221 2HB LYS 30 1HB LYS 30 -10.394 -3.266 3.710 222 1HG LYS 30 2HG LYS 30 -11.537 -0.689 4.755 223 2HG LYS 30 1HG LYS 30 -12.160 -2.282 5.196 224 1HD LYS 30 2HD LYS 30 -10.145 -2.895 6.240 225 2HD LYS 30 1HD LYS 30 -9.259 -1.562 5.504 226 1HE LYS 30 2HE LYS 30 -9.653 -1.060 7.822 227 2HE LYS 30 1HE LYS 30 -10.637 0.015 6.832 228 1HZ LYS 30 1HZ LYS 30 -12.519 -1.533 7.223 229 2HZ LYS 30 2HZ LYS 30 -11.960 -0.768 8.622 230 3HZ LYS 30 3HZ LYS 30 -11.550 -2.384 8.322 231 H THR 31 H THR 31 -8.313 -0.868 0.833 232 HA THR 31 HA THR 31 -6.507 -3.123 1.211 233 HB THR 31 HB THR 31 -6.675 -3.653 -1.278 234 HG1 THR 31 1HG THR 31 -8.514 -1.672 -1.094 235 1HG2 THR 31 1HG2 THR 31 -7.543 -5.172 0.410 236 2HG2 THR 31 2HG2 THR 31 -8.610 -5.138 -0.995 237 3HG2 THR 31 3HG2 THR 31 -9.055 -4.266 0.474 238 H CYS 32 H CYS 32 -4.489 -2.432 0.980 239 HA CYS 32 HA CYS 32 -3.889 0.185 0.074 240 1HB CYS 32 2HB CYS 32 -2.089 -2.161 0.672 241 2HB CYS 32 1HB CYS 32 -1.521 -0.524 0.362 242 H LYS 33 H LYS 33 -3.590 0.907 -1.878 243 HA LYS 33 HA LYS 33 -2.950 -0.956 -4.055 244 1HB LYS 33 2HB LYS 33 -4.624 1.320 -3.877 245 2HB LYS 33 1HB LYS 33 -3.282 1.781 -4.912 246 1HG LYS 33 2HG LYS 33 -5.154 -0.547 -5.302 247 2HG LYS 33 1HG LYS 33 -5.094 0.934 -6.250 248 1HD LYS 33 2HD LYS 33 -2.882 -1.118 -6.081 249 2HD LYS 33 1HD LYS 33 -4.040 -0.969 -7.399 250 1HE LYS 33 2HE LYS 33 -3.221 1.280 -7.869 251 2HE LYS 33 1HE LYS 33 -2.047 1.120 -6.565 252 1HZ LYS 33 1HZ LYS 33 -1.191 0.682 -8.865 253 2HZ LYS 33 2HZ LYS 33 -2.128 -0.728 -8.891 254 3HZ LYS 33 3HZ LYS 33 -0.893 -0.551 -7.743 255 H CYS 34 H CYS 34 -0.772 -1.292 -3.714 256 HA CYS 34 HA CYS 34 1.083 0.814 -3.257 257 1HB CYS 34 2HB CYS 34 1.858 -1.798 -4.524 258 2HB CYS 34 1HB CYS 34 2.752 -0.818 -3.362 259 H TYR 35 H TYR 35 2.083 2.125 -4.675 260 HA TYR 35 HA TYR 35 1.547 1.676 -7.531 261 1HB TYR 35 2HB TYR 35 2.246 4.218 -6.045 262 2HB TYR 35 1HB TYR 35 2.038 4.110 -7.790 263 HD1 TYR 35 1HD TYR 35 0.432 4.963 -4.823 264 HD2 TYR 35 2HD TYR 35 -0.263 2.924 -8.487 265 HE1 TYR 35 1HE TYR 35 -1.992 5.299 -4.545 266 HE2 TYR 35 2HE TYR 35 -2.685 3.243 -8.219 267 HH TYR 35 HH TYR 35 -4.030 5.414 -6.084 268 H GLY 36 H GLY 36 4.019 1.914 -5.151 269 1HA GLY 36 2HA GLY 36 6.251 1.416 -5.233 270 2HA GLY 36 1HA GLY 36 5.905 0.605 -6.750 271 H CYS 37 H CYS 37 7.470 1.228 -8.068 272 HA CYS 37 HA CYS 37 7.686 4.032 -8.773 273 1HB CYS 37 2HB CYS 37 9.960 2.423 -7.639 274 2HB CYS 37 1HB CYS 37 10.262 3.724 -8.786 275 H SER 38 H SER 38 7.242 3.923 -10.849 276 HA SER 38 HA SER 38 8.939 2.370 -12.591 277 1HB SER 38 2HB SER 38 5.942 1.932 -12.594 278 2HB SER 38 1HB SER 38 7.084 1.246 -13.749 279 HG SER 38 HG SER 38 7.908 0.704 -11.256 Start of MODEL 6 1 1H ILE 1 1HT ILE 1 -6.127 -7.788 -7.566 2 2H ILE 1 2HT ILE 1 -6.766 -7.747 -5.995 3 3H ILE 1 3HT ILE 1 -6.166 -9.200 -6.631 4 HA ILE 1 HA ILE 1 -3.942 -8.343 -6.688 5 HB ILE 1 HB ILE 1 -3.408 -6.186 -5.646 6 1HG1 ILE 1 2HG1 ILE 1 -6.398 -5.704 -5.638 7 2HG1 ILE 1 1HG1 ILE 1 -5.424 -6.027 -4.207 8 1HG2 ILE 1 1HG2 ILE 1 -3.646 -6.327 -8.067 9 2HG2 ILE 1 2HG2 ILE 1 -4.145 -4.744 -7.471 10 3HG2 ILE 1 3HG2 ILE 1 -5.362 -5.936 -7.929 11 1HD1 ILE 1 1HD1 ILE 1 -5.903 -3.658 -4.448 12 2HD1 ILE 1 2HD1 ILE 1 -5.134 -3.653 -6.036 13 3HD1 ILE 1 3HD1 ILE 1 -4.174 -3.973 -4.591 14 H GLU 2 H GLU 2 -2.553 -8.126 -4.695 15 HA GLU 2 HA GLU 2 -3.540 -9.740 -2.590 16 1HB GLU 2 2HB GLU 2 -1.420 -9.012 -1.399 17 2HB GLU 2 1HB GLU 2 -1.198 -9.801 -2.954 18 1HG GLU 2 2HG GLU 2 -1.342 -6.838 -2.905 19 2HG GLU 2 1HG GLU 2 0.115 -7.609 -2.280 20 H ALA 3 H ALA 3 -4.825 -9.196 -0.972 21 HA ALA 3 HA ALA 3 -5.523 -6.418 -0.609 22 1HB ALA 3 1HB ALA 3 -6.619 -8.866 0.766 23 2HB ALA 3 2HB ALA 3 -7.272 -8.130 -0.697 24 3HB ALA 3 3HB ALA 3 -7.299 -7.239 0.824 25 H ILE 4 H ILE 4 -3.523 -5.674 0.274 26 HA ILE 4 HA ILE 4 -2.807 -6.465 2.952 27 HB ILE 4 HB ILE 4 -2.011 -4.017 1.344 28 1HG1 ILE 4 2HG1 ILE 4 -0.501 -6.576 1.932 29 2HG1 ILE 4 1HG1 ILE 4 -1.236 -6.153 0.391 30 1HG2 ILE 4 1HG2 ILE 4 -1.789 -3.529 3.702 31 2HG2 ILE 4 2HG2 ILE 4 -0.184 -3.769 3.008 32 3HG2 ILE 4 3HG2 ILE 4 -0.931 -5.048 3.970 33 1HD1 ILE 4 1HD1 ILE 4 0.997 -4.644 1.727 34 2HD1 ILE 4 2HD1 ILE 4 0.292 -4.287 0.151 35 3HD1 ILE 4 3HD1 ILE 4 1.180 -5.792 0.401 36 H ARG 5 H ARG 5 -4.294 -6.136 4.475 37 HA ARG 5 HA ARG 5 -6.330 -4.158 4.227 38 1HB ARG 5 2HB ARG 5 -5.580 -5.968 6.528 39 2HB ARG 5 1HB ARG 5 -6.999 -4.930 6.511 40 1HG ARG 5 2HG ARG 5 -6.428 -7.173 4.585 41 2HG ARG 5 1HG ARG 5 -7.581 -7.211 5.922 42 1HD ARG 5 2HD ARG 5 -8.877 -5.445 4.888 43 2HD ARG 5 1HD ARG 5 -7.695 -5.307 3.587 44 HE ARG 5 HE ARG 5 -8.754 -7.955 3.805 45 1HH1 ARG 5 1HH1 ARG 5 -9.411 -4.748 2.559 46 2HH1 ARG 5 2HH1 ARG 5 -10.494 -5.303 1.319 47 1HH2 ARG 5 1HH2 ARG 5 -10.178 -8.697 2.180 48 2HH2 ARG 5 2HH2 ARG 5 -10.898 -7.558 1.076 49 H CYS 6 H CYS 6 -6.521 -2.198 5.122 50 HA CYS 6 HA CYS 6 -4.466 -1.276 6.987 51 1HB CYS 6 2HB CYS 6 -4.155 0.773 5.547 52 2HB CYS 6 1HB CYS 6 -3.507 -0.718 4.869 53 H GLY 7 H GLY 7 -5.117 0.338 8.328 54 1HA GLY 7 2HA GLY 7 -7.856 1.367 7.985 55 2HA GLY 7 1HA GLY 7 -6.930 1.393 9.484 56 H GLY 8 H GLY 8 -5.026 2.147 6.841 57 1HA GLY 8 2HA GLY 8 -5.535 4.906 6.519 58 2HA GLY 8 1HA GLY 8 -4.315 4.664 7.765 59 H SER 9 H SER 9 -3.917 5.982 5.268 60 HA SER 9 HA SER 9 -2.596 4.335 3.390 61 1HB SER 9 2HB SER 9 -1.517 6.549 2.712 62 2HB SER 9 1HB SER 9 -3.279 6.495 2.680 63 HG SER 9 HG SER 9 -2.978 8.273 3.821 64 H ARG 10 H ARG 10 -1.614 5.818 6.372 65 HA ARG 10 HA ARG 10 1.186 5.538 6.037 66 1HB ARG 10 2HB ARG 10 -0.429 5.666 8.586 67 2HB ARG 10 1HB ARG 10 1.310 5.870 8.460 68 1HG ARG 10 2HG ARG 10 0.966 7.866 7.081 69 2HG ARG 10 1HG ARG 10 -0.778 7.674 7.264 70 1HD ARG 10 2HD ARG 10 0.142 9.328 8.833 71 2HD ARG 10 1HD ARG 10 -0.583 7.953 9.664 72 HE ARG 10 HE ARG 10 1.890 7.141 9.707 73 1HH1 ARG 10 1HH1 ARG 10 0.748 10.431 10.112 74 2HH1 ARG 10 2HH1 ARG 10 2.108 10.915 11.091 75 1HH2 ARG 10 1HH2 ARG 10 3.664 7.768 11.002 76 2HH2 ARG 10 2HH2 ARG 10 3.761 9.396 11.609 77 H ASP 11 H ASP 11 -1.258 3.286 6.525 78 HA ASP 11 HA ASP 11 0.458 1.331 7.851 79 1HB ASP 11 2HB ASP 11 -2.477 1.512 7.248 80 2HB ASP 11 1HB ASP 11 -1.751 -0.087 7.448 81 H CYS 12 H CYS 12 -0.042 2.460 4.843 82 HA CYS 12 HA CYS 12 0.324 -0.135 3.533 83 1HB CYS 12 2HB CYS 12 -0.470 2.562 2.458 84 2HB CYS 12 1HB CYS 12 -0.218 1.136 1.450 85 H TYR 13 H TYR 13 1.926 2.824 4.312 86 HA TYR 13 HA TYR 13 3.863 2.837 2.264 87 1HB TYR 13 2HB TYR 13 4.178 3.882 5.083 88 2HB TYR 13 1HB TYR 13 5.158 4.314 3.683 89 HD1 TYR 13 1HD TYR 13 2.893 4.558 1.675 90 HD2 TYR 13 2HD TYR 13 3.332 6.006 5.648 91 HE1 TYR 13 1HE TYR 13 1.360 6.412 1.161 92 HE2 TYR 13 2HE TYR 13 1.794 7.853 5.156 93 HH TYR 13 HH TYR 13 0.990 9.107 3.179 94 H ARG 14 H ARG 14 3.977 1.503 5.568 95 HA ARG 14 HA ARG 14 6.610 0.630 5.472 96 1HB ARG 14 2HB ARG 14 5.231 0.728 7.529 97 2HB ARG 14 1HB ARG 14 4.365 -0.701 6.983 98 1HG ARG 14 2HG ARG 14 7.292 -0.965 7.078 99 2HG ARG 14 1HG ARG 14 6.492 -0.751 8.638 100 1HD ARG 14 2HD ARG 14 4.926 -2.620 7.915 101 2HD ARG 14 1HD ARG 14 6.060 -2.919 6.598 102 HE ARG 14 HE ARG 14 7.683 -2.967 8.729 103 1HH1 ARG 14 1HH1 ARG 14 4.683 -4.625 7.995 104 2HH1 ARG 14 2HH1 ARG 14 4.957 -5.904 9.146 105 1HH2 ARG 14 1HH2 ARG 14 8.069 -4.650 10.212 106 2HH2 ARG 14 2HH2 ARG 14 6.888 -5.910 10.418 107 HA PRO 15 HA PRO 15 5.097 -3.684 3.768 108 1HB PRO 15 2HB PRO 15 2.719 -3.479 2.353 109 2HB PRO 15 1HB PRO 15 2.889 -4.193 3.958 110 1HG PRO 15 2HG PRO 15 1.946 -1.484 3.175 111 2HG PRO 15 1HG PRO 15 1.400 -2.528 4.498 112 1HD PRO 15 2HD PRO 15 2.997 -0.396 4.916 113 2HD PRO 15 1HD PRO 15 3.114 -1.871 5.896 114 H CYS 16 H CYS 16 3.594 -1.032 1.844 115 HA CYS 16 HA CYS 16 4.453 -2.176 -0.591 116 1HB CYS 16 2HB CYS 16 3.588 0.676 -0.103 117 2HB CYS 16 1HB CYS 16 3.655 -0.141 -1.655 118 H GLN 17 H GLN 17 5.892 0.347 1.445 119 HA GLN 17 HA GLN 17 7.860 1.135 -0.456 120 1HB GLN 17 2HB GLN 17 7.148 2.397 1.686 121 2HB GLN 17 1HB GLN 17 8.232 1.294 2.532 122 1HG GLN 17 2HG GLN 17 10.016 2.070 0.845 123 2HG GLN 17 1HG GLN 17 8.902 3.387 0.501 124 1HE2 GLN 17 1HE2 GLN 17 9.243 1.943 3.669 125 2HE2 GLN 17 2HE2 GLN 17 9.963 3.330 4.422 126 H LYS 18 H LYS 18 7.788 -1.207 2.174 127 HA LYS 18 HA LYS 18 10.499 -1.980 2.000 128 1HB LYS 18 2HB LYS 18 9.093 -2.393 3.973 129 2HB LYS 18 1HB LYS 18 8.115 -3.517 3.042 130 1HG LYS 18 2HG LYS 18 10.037 -4.993 2.785 131 2HG LYS 18 1HG LYS 18 11.035 -3.855 3.694 132 1HD LYS 18 2HD LYS 18 9.641 -4.158 5.656 133 2HD LYS 18 1HD LYS 18 8.574 -5.238 4.756 134 1HE LYS 18 2HE LYS 18 10.439 -6.795 4.433 135 2HE LYS 18 1HE LYS 18 11.495 -5.716 5.343 136 1HZ LYS 18 1HZ LYS 18 9.030 -6.934 6.461 137 2HZ LYS 18 2HZ LYS 18 10.230 -6.083 7.304 138 3HZ LYS 18 3HZ LYS 18 10.578 -7.606 6.638 139 H ARG 19 H ARG 19 7.575 -3.031 0.382 140 HA ARG 19 HA ARG 19 8.759 -5.366 -0.799 141 1HB ARG 19 2HB ARG 19 6.164 -3.955 -1.445 142 2HB ARG 19 1HB ARG 19 6.647 -5.520 -2.075 143 1HG ARG 19 2HG ARG 19 6.573 -6.477 0.140 144 2HG ARG 19 1HG ARG 19 6.213 -4.893 0.839 145 1HD ARG 19 2HD ARG 19 4.166 -6.134 0.667 146 2HD ARG 19 1HD ARG 19 4.133 -4.831 -0.518 147 HE ARG 19 HE ARG 19 5.055 -7.411 -1.475 148 1HH1 ARG 19 1HH1 ARG 19 2.384 -5.160 -1.200 149 2HH1 ARG 19 2HH1 ARG 19 1.441 -5.937 -2.426 150 1HH2 ARG 19 1HH2 ARG 19 3.809 -8.440 -3.078 151 2HH2 ARG 19 2HH2 ARG 19 2.246 -7.799 -3.508 152 H THR 20 H THR 20 7.665 -2.223 -2.106 153 HA THR 20 HA THR 20 8.712 -2.993 -4.710 154 HB THR 20 HB THR 20 7.581 -1.013 -5.571 155 HG1 THR 20 1HG THR 20 6.833 -0.517 -2.854 156 1HG2 THR 20 1HG2 THR 20 6.242 -3.024 -5.334 157 2HG2 THR 20 2HG2 THR 20 5.257 -1.608 -4.966 158 3HG2 THR 20 3HG2 THR 20 5.880 -2.616 -3.658 159 H GLY 21 H GLY 21 9.616 -1.023 -2.039 160 1HA GLY 21 2HA GLY 21 11.829 -0.146 -1.848 161 2HA GLY 21 1HA GLY 21 11.885 0.007 -3.597 162 H CYS 22 H CYS 22 8.944 1.089 -3.067 163 HA CYS 22 HA CYS 22 9.766 3.806 -2.312 164 1HB CYS 22 2HB CYS 22 7.897 3.184 -4.614 165 2HB CYS 22 1HB CYS 22 8.526 4.761 -4.152 166 HA PRO 23 HA PRO 23 6.232 3.450 0.292 167 1HB PRO 23 2HB PRO 23 6.058 5.968 1.183 168 2HB PRO 23 1HB PRO 23 7.436 4.938 1.592 169 1HG PRO 23 2HG PRO 23 7.228 7.076 -0.494 170 2HG PRO 23 1HG PRO 23 8.543 6.756 0.647 171 1HD PRO 23 2HD PRO 23 8.570 5.938 -1.966 172 2HD PRO 23 1HD PRO 23 9.453 5.116 -0.666 173 H ASN 24 H ASN 24 6.069 4.849 -2.670 174 HA ASN 24 HA ASN 24 3.679 6.316 -2.619 175 1HB ASN 24 2HB ASN 24 4.881 4.648 -4.841 176 2HB ASN 24 1HB ASN 24 3.534 5.763 -5.051 177 1HD2 ASN 24 1HD2 ASN 24 6.188 5.751 -6.251 178 2HD2 ASN 24 2HD2 ASN 24 6.876 7.295 -5.875 179 H ALA 25 H ALA 25 1.997 5.442 -1.525 180 HA ALA 25 HA ALA 25 0.610 3.214 -2.728 181 1HB ALA 25 1HB ALA 25 2.153 2.071 -1.198 182 2HB ALA 25 2HB ALA 25 0.475 1.894 -0.685 183 3HB ALA 25 3HB ALA 25 1.531 3.039 0.139 184 H LYS 26 H LYS 26 -1.563 3.079 -2.056 185 HA LYS 26 HA LYS 26 -2.457 5.137 -0.181 186 1HB LYS 26 2HB LYS 26 -3.584 4.604 -2.926 187 2HB LYS 26 1HB LYS 26 -4.478 5.460 -1.681 188 1HG LYS 26 2HG LYS 26 -2.395 6.984 -1.566 189 2HG LYS 26 1HG LYS 26 -2.023 6.304 -3.153 190 1HD LYS 26 2HD LYS 26 -4.162 7.065 -4.011 191 2HD LYS 26 1HD LYS 26 -4.612 7.664 -2.411 192 1HE LYS 26 2HE LYS 26 -2.522 9.105 -2.539 193 2HE LYS 26 1HE LYS 26 -2.472 8.692 -4.252 194 1HZ LYS 26 1HZ LYS 26 -3.608 10.776 -3.931 195 2HZ LYS 26 2HZ LYS 26 -4.692 10.069 -2.837 196 3HZ LYS 26 3HZ LYS 26 -4.723 9.613 -4.470 197 H CYS 27 H CYS 27 -4.314 4.655 0.959 198 HA CYS 27 HA CYS 27 -4.933 1.788 1.078 199 1HB CYS 27 2HB CYS 27 -4.128 2.825 3.157 200 2HB CYS 27 1HB CYS 27 -5.415 4.019 3.075 201 H ILE 28 H ILE 28 -6.419 1.659 -0.600 202 HA ILE 28 HA ILE 28 -8.870 3.252 -0.233 203 HB ILE 28 HB ILE 28 -7.383 3.849 -2.227 204 1HG1 ILE 28 2HG1 ILE 28 -9.888 4.347 -1.862 205 2HG1 ILE 28 1HG1 ILE 28 -9.213 4.549 -3.467 206 1HG2 ILE 28 1HG2 ILE 28 -6.827 1.611 -2.968 207 2HG2 ILE 28 2HG2 ILE 28 -7.659 2.497 -4.246 208 3HG2 ILE 28 3HG2 ILE 28 -8.526 1.281 -3.308 209 1HD1 ILE 28 1HD1 ILE 28 -11.412 3.501 -3.518 210 2HD1 ILE 28 2HD1 ILE 28 -10.800 2.170 -2.533 211 3HD1 ILE 28 3HD1 ILE 28 -10.166 2.433 -4.159 212 H ASN 29 H ASN 29 -10.769 2.149 -0.220 213 HA ASN 29 HA ASN 29 -12.180 0.397 0.062 214 1HB ASN 29 2HB ASN 29 -10.432 -0.749 -2.120 215 2HB ASN 29 1HB ASN 29 -11.812 -1.623 -1.465 216 1HD2 ASN 29 1HD2 ASN 29 -11.268 -0.526 -4.153 217 2HD2 ASN 29 2HD2 ASN 29 -12.604 0.515 -4.513 218 H LYS 30 H LYS 30 -9.906 0.674 1.781 219 HA LYS 30 HA LYS 30 -8.759 -0.385 3.421 220 1HB LYS 30 2HB LYS 30 -11.120 -1.120 3.896 221 2HB LYS 30 1HB LYS 30 -10.729 -2.632 3.087 222 1HG LYS 30 2HG LYS 30 -9.131 -3.211 4.731 223 2HG LYS 30 1HG LYS 30 -9.162 -1.588 5.428 224 1HD LYS 30 2HD LYS 30 -11.602 -3.303 5.308 225 2HD LYS 30 1HD LYS 30 -10.459 -3.430 6.645 226 1HE LYS 30 2HE LYS 30 -10.788 -1.086 7.176 227 2HE LYS 30 1HE LYS 30 -11.843 -0.892 5.777 228 1HZ LYS 30 1HZ LYS 30 -12.422 -2.735 8.028 229 2HZ LYS 30 2HZ LYS 30 -13.466 -2.295 6.764 230 3HZ LYS 30 3HZ LYS 30 -13.018 -1.151 7.930 231 H THR 31 H THR 31 -7.957 -0.809 0.674 232 HA THR 31 HA THR 31 -6.260 -3.143 1.161 233 HB THR 31 HB THR 31 -6.297 -3.578 -1.348 234 HG1 THR 31 1HG THR 31 -7.857 -1.439 -1.331 235 1HG2 THR 31 1HG2 THR 31 -8.868 -4.056 0.159 236 2HG2 THR 31 2HG2 THR 31 -7.415 -5.053 0.256 237 3HG2 THR 31 3HG2 THR 31 -8.311 -4.944 -1.260 238 H CYS 32 H CYS 32 -4.196 -2.598 1.060 239 HA CYS 32 HA CYS 32 -3.362 -0.006 0.315 240 1HB CYS 32 2HB CYS 32 -1.800 -2.518 0.904 241 2HB CYS 32 1HB CYS 32 -1.053 -0.948 0.615 242 H LYS 33 H LYS 33 -3.186 0.753 -1.614 243 HA LYS 33 HA LYS 33 -2.690 -1.031 -3.883 244 1HB LYS 33 2HB LYS 33 -4.548 0.882 -3.582 245 2HB LYS 33 1HB LYS 33 -3.246 1.884 -4.196 246 1HG LYS 33 2HG LYS 33 -4.244 -0.570 -5.612 247 2HG LYS 33 1HG LYS 33 -4.880 1.049 -5.896 248 1HD LYS 33 2HD LYS 33 -2.547 1.766 -6.459 249 2HD LYS 33 1HD LYS 33 -2.073 0.068 -6.371 250 1HE LYS 33 2HE LYS 33 -2.521 0.746 -8.676 251 2HE LYS 33 1HE LYS 33 -3.665 -0.480 -8.135 252 1HZ LYS 33 1HZ LYS 33 -5.293 1.280 -7.732 253 2HZ LYS 33 2HZ LYS 33 -4.787 1.265 -9.347 254 3HZ LYS 33 3HZ LYS 33 -4.190 2.439 -8.289 255 H CYS 34 H CYS 34 -0.472 -1.357 -3.602 256 HA CYS 34 HA CYS 34 1.340 0.806 -3.144 257 1HB CYS 34 2HB CYS 34 2.170 -1.889 -4.200 258 2HB CYS 34 1HB CYS 34 3.056 -0.798 -3.133 259 H TYR 35 H TYR 35 1.886 2.247 -4.624 260 HA TYR 35 HA TYR 35 1.659 1.627 -7.456 261 1HB TYR 35 2HB TYR 35 2.416 4.194 -6.031 262 2HB TYR 35 1HB TYR 35 2.183 4.034 -7.769 263 HD1 TYR 35 1HD TYR 35 -0.095 3.459 -8.645 264 HD2 TYR 35 2HD TYR 35 0.567 4.493 -4.567 265 HE1 TYR 35 1HE TYR 35 -2.499 3.880 -8.368 266 HE2 TYR 35 2HE TYR 35 -1.841 4.924 -4.279 267 HH TYR 35 HH TYR 35 -3.799 5.530 -5.803 268 H GLY 36 H GLY 36 4.091 2.432 -5.057 269 1HA GLY 36 2HA GLY 36 6.350 2.083 -4.995 270 2HA GLY 36 1HA GLY 36 6.091 0.851 -6.220 271 H CYS 37 H CYS 37 7.486 1.166 -7.797 272 HA CYS 37 HA CYS 37 7.602 3.759 -9.101 273 1HB CYS 37 2HB CYS 37 10.014 2.340 -7.958 274 2HB CYS 37 1HB CYS 37 10.131 3.605 -9.178 275 H SER 38 H SER 38 6.837 3.125 -11.003 276 HA SER 38 HA SER 38 6.668 2.172 -13.040 277 1HB SER 38 2HB SER 38 9.493 1.240 -12.477 278 2HB SER 38 1HB SER 38 8.697 1.176 -14.051 279 HG SER 38 HG SER 38 8.843 3.309 -14.240 Start of MODEL 7 1 1H ILE 1 1HT ILE 1 -1.684 -7.684 -6.554 2 2H ILE 1 2HT ILE 1 -1.709 -6.385 -7.643 3 3H ILE 1 3HT ILE 1 -2.967 -7.525 -7.653 4 HA ILE 1 HA ILE 1 -2.340 -5.580 -5.509 5 HB ILE 1 HB ILE 1 -4.841 -5.869 -7.192 6 1HG1 ILE 1 2HG1 ILE 1 -2.702 -3.734 -7.360 7 2HG1 ILE 1 1HG1 ILE 1 -2.840 -5.082 -8.482 8 1HG2 ILE 1 1HG2 ILE 1 -3.988 -3.763 -5.203 9 2HG2 ILE 1 2HG2 ILE 1 -5.279 -4.946 -4.992 10 3HG2 ILE 1 3HG2 ILE 1 -5.430 -3.683 -6.213 11 1HD1 ILE 1 1HD1 ILE 1 -4.904 -2.939 -8.042 12 2HD1 ILE 1 2HD1 ILE 1 -5.037 -4.285 -9.173 13 3HD1 ILE 1 3HD1 ILE 1 -3.796 -3.055 -9.407 14 H GLU 2 H GLU 2 -2.404 -6.702 -3.674 15 HA GLU 2 HA GLU 2 -4.564 -8.674 -3.323 16 1HB GLU 2 2HB GLU 2 -3.069 -9.643 -1.542 17 2HB GLU 2 1HB GLU 2 -2.461 -9.786 -3.185 18 1HG GLU 2 2HG GLU 2 -1.028 -7.815 -2.785 19 2HG GLU 2 1HG GLU 2 -1.591 -7.788 -1.115 20 H ALA 3 H ALA 3 -5.147 -8.949 -0.935 21 HA ALA 3 HA ALA 3 -6.123 -6.362 -0.131 22 1HB ALA 3 1HB ALA 3 -7.625 -8.288 -0.183 23 2HB ALA 3 2HB ALA 3 -7.528 -7.578 1.432 24 3HB ALA 3 3HB ALA 3 -6.661 -9.072 1.069 25 H ILE 4 H ILE 4 -3.888 -5.630 0.424 26 HA ILE 4 HA ILE 4 -2.890 -6.446 3.006 27 HB ILE 4 HB ILE 4 -2.255 -3.988 1.345 28 1HG1 ILE 4 2HG1 ILE 4 -0.701 -6.567 1.668 29 2HG1 ILE 4 1HG1 ILE 4 -1.678 -6.149 0.265 30 1HG2 ILE 4 1HG2 ILE 4 -0.235 -3.799 2.754 31 2HG2 ILE 4 2HG2 ILE 4 -0.841 -5.114 3.764 32 3HG2 ILE 4 3HG2 ILE 4 -1.725 -3.590 3.675 33 1HD1 ILE 4 1HD1 ILE 4 -0.211 -4.253 -0.194 34 2HD1 ILE 4 2HD1 ILE 4 0.690 -5.768 -0.151 35 3HD1 ILE 4 3HD1 ILE 4 0.762 -4.662 1.220 36 H ARG 5 H ARG 5 -4.220 -6.087 4.696 37 HA ARG 5 HA ARG 5 -6.189 -4.025 4.673 38 1HB ARG 5 2HB ARG 5 -5.285 -5.984 6.764 39 2HB ARG 5 1HB ARG 5 -6.474 -4.738 7.126 40 1HG ARG 5 2HG ARG 5 -6.733 -6.858 4.999 41 2HG ARG 5 1HG ARG 5 -7.549 -6.845 6.565 42 1HD ARG 5 2HD ARG 5 -8.684 -4.764 5.959 43 2HD ARG 5 1HD ARG 5 -7.858 -4.767 4.401 44 HE ARG 5 HE ARG 5 -9.462 -7.118 4.997 45 1HH1 ARG 5 1HH1 ARG 5 -9.276 -3.984 3.445 46 2HH1 ARG 5 2HH1 ARG 5 -10.627 -4.278 2.392 47 1HH2 ARG 5 1HH2 ARG 5 -11.254 -7.504 3.601 48 2HH2 ARG 5 2HH2 ARG 5 -11.735 -6.266 2.474 49 H CYS 6 H CYS 6 -6.142 -2.044 5.406 50 HA CYS 6 HA CYS 6 -3.820 -1.162 6.973 51 1HB CYS 6 2HB CYS 6 -3.918 0.940 5.525 52 2HB CYS 6 1HB CYS 6 -3.279 -0.515 4.762 53 H GLY 7 H GLY 7 -4.144 0.755 8.198 54 1HA GLY 7 2HA GLY 7 -6.968 1.548 8.551 55 2HA GLY 7 1HA GLY 7 -5.738 1.655 9.808 56 H GLY 8 H GLY 8 -5.068 2.456 6.510 57 1HA GLY 8 2HA GLY 8 -5.508 5.029 6.085 58 2HA GLY 8 1HA GLY 8 -4.298 5.121 7.362 59 H SER 9 H SER 9 -3.895 6.173 4.787 60 HA SER 9 HA SER 9 -2.447 4.503 3.076 61 1HB SER 9 2HB SER 9 -1.339 6.701 2.367 62 2HB SER 9 1HB SER 9 -3.096 6.617 2.241 63 HG SER 9 HG SER 9 -2.434 8.559 3.219 64 H ARG 10 H ARG 10 -1.528 6.141 6.017 65 HA ARG 10 HA ARG 10 1.283 5.852 5.736 66 1HB ARG 10 2HB ARG 10 -0.309 6.092 8.289 67 2HB ARG 10 1HB ARG 10 1.401 6.432 8.084 68 1HG ARG 10 2HG ARG 10 0.765 8.249 6.488 69 2HG ARG 10 1HG ARG 10 -0.919 7.968 6.940 70 1HD ARG 10 2HD ARG 10 1.340 8.926 8.678 71 2HD ARG 10 1HD ARG 10 -0.152 9.771 8.271 72 HE ARG 10 HE ARG 10 -0.688 7.328 9.621 73 1HH1 ARG 10 1HH1 ARG 10 0.323 10.634 10.140 74 2HH1 ARG 10 2HH1 ARG 10 -0.129 10.646 11.815 75 1HH2 ARG 10 1HH2 ARG 10 -1.283 7.333 11.818 76 2HH2 ARG 10 2HH2 ARG 10 -1.057 8.782 12.766 77 H ASP 11 H ASP 11 -1.200 3.659 6.460 78 HA ASP 11 HA ASP 11 0.479 1.807 7.945 79 1HB ASP 11 2HB ASP 11 -2.403 1.925 7.159 80 2HB ASP 11 1HB ASP 11 -1.697 0.340 7.478 81 H CYS 12 H CYS 12 -0.232 2.593 4.768 82 HA CYS 12 HA CYS 12 0.238 -0.073 3.696 83 1HB CYS 12 2HB CYS 12 -0.509 2.560 2.455 84 2HB CYS 12 1HB CYS 12 -0.200 1.108 1.510 85 H TYR 13 H TYR 13 2.030 2.675 4.500 86 HA TYR 13 HA TYR 13 3.823 2.810 2.348 87 1HB TYR 13 2HB TYR 13 4.236 3.613 5.229 88 2HB TYR 13 1HB TYR 13 5.346 3.988 3.914 89 HD1 TYR 13 1HD TYR 13 2.928 4.431 1.910 90 HD2 TYR 13 2HD TYR 13 3.935 5.979 5.741 91 HE1 TYR 13 1HE TYR 13 1.650 6.472 1.413 92 HE2 TYR 13 2HE TYR 13 2.660 8.023 5.258 93 HH TYR 13 HH TYR 13 1.763 9.263 3.504 94 H ARG 14 H ARG 14 4.366 1.293 5.563 95 HA ARG 14 HA ARG 14 6.879 0.319 5.025 96 1HB ARG 14 2HB ARG 14 6.141 0.188 7.252 97 2HB ARG 14 1HB ARG 14 4.731 -0.769 6.820 98 1HG ARG 14 2HG ARG 14 7.283 -2.035 6.133 99 2HG ARG 14 1HG ARG 14 7.047 -1.760 7.865 100 1HD ARG 14 2HD ARG 14 4.980 -2.966 7.835 101 2HD ARG 14 1HD ARG 14 5.010 -3.080 6.078 102 HE ARG 14 HE ARG 14 7.228 -4.389 6.650 103 1HH1 ARG 14 1HH1 ARG 14 4.147 -4.506 8.294 104 2HH1 ARG 14 2HH1 ARG 14 4.269 -6.188 8.703 105 1HH2 ARG 14 1HH2 ARG 14 7.403 -6.611 7.153 106 2HH2 ARG 14 2HH2 ARG 14 6.152 -7.381 8.092 107 HA PRO 15 HA PRO 15 5.091 -3.911 3.380 108 1HB PRO 15 2HB PRO 15 2.618 -3.587 2.141 109 2HB PRO 15 1HB PRO 15 2.878 -4.354 3.708 110 1HG PRO 15 2HG PRO 15 1.971 -1.597 3.069 111 2HG PRO 15 1HG PRO 15 1.499 -2.654 4.412 112 1HD PRO 15 2HD PRO 15 3.192 -0.576 4.737 113 2HD PRO 15 1HD PRO 15 3.346 -2.075 5.674 114 H CYS 16 H CYS 16 3.573 -1.176 1.625 115 HA CYS 16 HA CYS 16 4.316 -2.249 -0.884 116 1HB CYS 16 2HB CYS 16 3.506 0.594 -0.267 117 2HB CYS 16 1HB CYS 16 3.451 -0.198 -1.833 118 H GLN 17 H GLN 17 5.799 0.167 1.220 119 HA GLN 17 HA GLN 17 7.681 1.139 -0.647 120 1HB GLN 17 2HB GLN 17 7.024 2.186 1.593 121 2HB GLN 17 1HB GLN 17 8.087 1.005 2.348 122 1HG GLN 17 2HG GLN 17 9.091 2.841 0.211 123 2HG GLN 17 1HG GLN 17 8.984 3.360 1.890 124 1HE2 GLN 17 1HE2 GLN 17 9.655 0.776 3.003 125 2HE2 GLN 17 2HE2 GLN 17 11.345 0.530 2.700 126 H LYS 18 H LYS 18 7.703 -1.609 1.562 127 HA LYS 18 HA LYS 18 10.468 -2.180 0.985 128 1HB LYS 18 2HB LYS 18 9.515 -2.673 3.196 129 2HB LYS 18 1HB LYS 18 8.427 -3.849 2.463 130 1HG LYS 18 2HG LYS 18 10.148 -5.339 2.004 131 2HG LYS 18 1HG LYS 18 11.392 -4.094 2.116 132 1HD LYS 18 2HD LYS 18 9.774 -5.183 4.419 133 2HD LYS 18 1HD LYS 18 11.447 -5.604 4.042 134 1HE LYS 18 2HE LYS 18 11.943 -3.112 4.230 135 2HE LYS 18 1HE LYS 18 10.346 -2.962 4.960 136 1HZ LYS 18 1HZ LYS 18 11.889 -3.190 6.713 137 2HZ LYS 18 2HZ LYS 18 12.671 -4.498 5.971 138 3HZ LYS 18 3HZ LYS 18 11.105 -4.691 6.596 139 H ARG 19 H ARG 19 7.339 -3.262 -0.138 140 HA ARG 19 HA ARG 19 8.356 -5.559 -1.530 141 1HB ARG 19 2HB ARG 19 5.705 -4.129 -1.746 142 2HB ARG 19 1HB ARG 19 6.087 -5.643 -2.550 143 1HG ARG 19 2HG ARG 19 6.373 -6.737 -0.397 144 2HG ARG 19 1HG ARG 19 6.052 -5.211 0.433 145 1HD ARG 19 2HD ARG 19 4.038 -6.467 0.480 146 2HD ARG 19 1HD ARG 19 3.820 -5.177 -0.698 147 HE ARG 19 HE ARG 19 4.570 -7.121 -2.312 148 1HH1 ARG 19 1HH1 ARG 19 2.340 -7.255 0.388 149 2HH1 ARG 19 2HH1 ARG 19 1.390 -8.543 -0.292 150 1HH2 ARG 19 1HH2 ARG 19 3.343 -8.831 -3.196 151 2HH2 ARG 19 2HH2 ARG 19 1.943 -9.423 -2.337 152 H THR 20 H THR 20 7.553 -2.228 -2.428 153 HA THR 20 HA THR 20 8.293 -2.887 -5.203 154 HB THR 20 HB THR 20 6.937 -1.029 -5.942 155 HG1 THR 20 1HG THR 20 6.315 -0.587 -3.187 156 1HG2 THR 20 1HG2 THR 20 5.455 -2.700 -3.906 157 2HG2 THR 20 2HG2 THR 20 5.779 -3.156 -5.580 158 3HG2 THR 20 3HG2 THR 20 4.715 -1.793 -5.223 159 H GLY 21 H GLY 21 9.387 -1.250 -2.473 160 1HA GLY 21 2HA GLY 21 11.419 -0.112 -2.275 161 2HA GLY 21 1HA GLY 21 11.467 0.059 -4.024 162 H CYS 22 H CYS 22 8.441 0.957 -3.143 163 HA CYS 22 HA CYS 22 9.140 3.733 -2.534 164 1HB CYS 22 2HB CYS 22 9.025 3.455 -5.010 165 2HB CYS 22 1HB CYS 22 7.353 2.938 -4.838 166 HA PRO 23 HA PRO 23 5.687 3.129 0.122 167 1HB PRO 23 2HB PRO 23 5.364 5.609 1.054 168 2HB PRO 23 1HB PRO 23 6.818 4.672 1.421 169 1HG PRO 23 2HG PRO 23 6.412 6.804 -0.650 170 2HG PRO 23 1HG PRO 23 7.761 6.592 0.481 171 1HD PRO 23 2HD PRO 23 7.847 5.787 -2.122 172 2HD PRO 23 1HD PRO 23 8.769 4.999 -0.825 173 H ASN 24 H ASN 24 5.319 4.676 -2.821 174 HA ASN 24 HA ASN 24 2.900 6.062 -2.554 175 1HB ASN 24 2HB ASN 24 4.075 4.629 -4.940 176 2HB ASN 24 1HB ASN 24 2.605 5.588 -5.022 177 1HD2 ASN 24 1HD2 ASN 24 3.537 7.012 -6.477 178 2HD2 ASN 24 2HD2 ASN 24 4.711 8.192 -5.989 179 H ALA 25 H ALA 25 1.280 5.124 -1.480 180 HA ALA 25 HA ALA 25 -0.072 2.908 -2.776 181 1HB ALA 25 1HB ALA 25 -0.275 1.617 -0.713 182 2HB ALA 25 2HB ALA 25 0.748 2.783 0.125 183 3HB ALA 25 3HB ALA 25 1.415 1.800 -1.178 184 H LYS 26 H LYS 26 -2.277 2.780 -2.244 185 HA LYS 26 HA LYS 26 -3.287 4.955 -0.540 186 1HB LYS 26 2HB LYS 26 -4.722 3.748 -2.911 187 2HB LYS 26 1HB LYS 26 -5.292 5.057 -1.901 188 1HG LYS 26 2HG LYS 26 -3.343 6.398 -2.697 189 2HG LYS 26 1HG LYS 26 -3.012 5.100 -3.850 190 1HD LYS 26 2HD LYS 26 -5.565 6.678 -3.625 191 2HD LYS 26 1HD LYS 26 -4.347 6.855 -4.889 192 1HE LYS 26 2HE LYS 26 -4.788 4.618 -5.680 193 2HE LYS 26 1HE LYS 26 -5.895 4.322 -4.337 194 1HZ LYS 26 1HZ LYS 26 -7.050 4.851 -6.417 195 2HZ LYS 26 2HZ LYS 26 -6.297 6.372 -6.454 196 3HZ LYS 26 3HZ LYS 26 -7.376 5.989 -5.202 197 H CYS 27 H CYS 27 -4.850 4.448 0.912 198 HA CYS 27 HA CYS 27 -5.283 1.599 1.409 199 1HB CYS 27 2HB CYS 27 -4.516 3.115 3.241 200 2HB CYS 27 1HB CYS 27 -6.034 3.993 3.111 201 H ILE 28 H ILE 28 -6.622 1.679 -0.639 202 HA ILE 28 HA ILE 28 -9.247 2.940 -0.267 203 HB ILE 28 HB ILE 28 -8.036 3.466 -2.354 204 1HG1 ILE 28 2HG1 ILE 28 -9.874 2.879 -3.948 205 2HG1 ILE 28 1HG1 ILE 28 -10.562 1.842 -2.701 206 1HG2 ILE 28 1HG2 ILE 28 -8.321 0.534 -2.970 207 2HG2 ILE 28 2HG2 ILE 28 -6.815 1.385 -2.627 208 3HG2 ILE 28 3HG2 ILE 28 -7.733 1.771 -4.083 209 1HD1 ILE 28 1HD1 ILE 28 -10.832 3.795 -1.249 210 2HD1 ILE 28 2HD1 ILE 28 -11.702 3.974 -2.772 211 3HD1 ILE 28 3HD1 ILE 28 -10.175 4.822 -2.522 212 H ASN 29 H ASN 29 -11.086 1.763 -0.095 213 HA ASN 29 HA ASN 29 -12.420 -0.002 0.432 214 1HB ASN 29 2HB ASN 29 -10.546 -1.557 -1.375 215 2HB ASN 29 1HB ASN 29 -12.072 -2.165 -0.745 216 1HD2 ASN 29 1HD2 ASN 29 -10.537 -0.169 -3.079 217 2HD2 ASN 29 2HD2 ASN 29 -11.958 0.259 -3.964 218 H LYS 30 H LYS 30 -10.018 0.680 1.957 219 HA LYS 30 HA LYS 30 -8.775 0.011 3.715 220 1HB LYS 30 2HB LYS 30 -11.025 -0.771 4.497 221 2HB LYS 30 1HB LYS 30 -10.628 -2.366 3.876 222 1HG LYS 30 2HG LYS 30 -8.796 -2.566 5.430 223 2HG LYS 30 1HG LYS 30 -9.051 -0.912 5.992 224 1HD LYS 30 2HD LYS 30 -11.491 -2.407 6.144 225 2HD LYS 30 1HD LYS 30 -10.204 -3.260 6.996 226 1HE LYS 30 2HE LYS 30 -11.400 -1.742 8.489 227 2HE LYS 30 1HE LYS 30 -9.719 -1.256 8.295 228 1HZ LYS 30 1HZ LYS 30 -12.028 -0.041 6.874 229 2HZ LYS 30 2HZ LYS 30 -10.411 0.445 6.733 230 3HZ LYS 30 3HZ LYS 30 -11.228 0.633 8.207 231 H THR 31 H THR 31 -8.203 -0.925 0.968 232 HA THR 31 HA THR 31 -6.282 -3.006 1.739 233 HB THR 31 HB THR 31 -6.407 -3.841 -0.650 234 HG1 THR 31 1HG THR 31 -8.029 -1.784 -0.935 235 1HG2 THR 31 1HG2 THR 31 -8.416 -5.207 -0.270 236 2HG2 THR 31 2HG2 THR 31 -8.870 -4.144 1.063 237 3HG2 THR 31 3HG2 THR 31 -7.396 -5.108 1.168 238 H CYS 32 H CYS 32 -4.233 -2.687 1.076 239 HA CYS 32 HA CYS 32 -3.552 -0.038 0.244 240 1HB CYS 32 2HB CYS 32 -1.836 -2.467 0.765 241 2HB CYS 32 1HB CYS 32 -1.215 -0.847 0.465 242 H LYS 33 H LYS 33 -3.449 0.642 -1.744 243 HA LYS 33 HA LYS 33 -2.886 -1.228 -3.933 244 1HB LYS 33 2HB LYS 33 -4.715 0.749 -3.819 245 2HB LYS 33 1HB LYS 33 -3.355 1.673 -4.423 246 1HG LYS 33 2HG LYS 33 -4.505 -0.785 -5.720 247 2HG LYS 33 1HG LYS 33 -4.796 0.876 -6.224 248 1HD LYS 33 2HD LYS 33 -2.382 1.136 -6.673 249 2HD LYS 33 1HD LYS 33 -2.133 -0.549 -6.216 250 1HE LYS 33 2HE LYS 33 -3.681 -1.224 -8.025 251 2HE LYS 33 1HE LYS 33 -3.797 0.464 -8.517 252 1HZ LYS 33 1HZ LYS 33 -1.452 0.470 -9.015 253 2HZ LYS 33 2HZ LYS 33 -2.193 -0.808 -9.843 254 3HZ LYS 33 3HZ LYS 33 -1.283 -1.118 -8.449 255 H CYS 34 H CYS 34 -0.680 -1.565 -3.710 256 HA CYS 34 HA CYS 34 1.130 0.630 -3.288 257 1HB CYS 34 2HB CYS 34 1.944 -2.120 -4.203 258 2HB CYS 34 1HB CYS 34 2.844 -0.973 -3.208 259 H TYR 35 H TYR 35 1.527 2.023 -4.871 260 HA TYR 35 HA TYR 35 1.301 1.262 -7.645 261 1HB TYR 35 2HB TYR 35 2.023 3.837 -6.251 262 2HB TYR 35 1HB TYR 35 2.081 3.668 -8.005 263 HD1 TYR 35 1HD TYR 35 0.175 4.048 -9.258 264 HD2 TYR 35 2HD TYR 35 -0.227 3.239 -5.107 265 HE1 TYR 35 1HE TYR 35 -2.232 4.507 -9.416 266 HE2 TYR 35 2HE TYR 35 -2.649 3.685 -5.246 267 HH TYR 35 HH TYR 35 -4.285 3.954 -8.221 268 H GLY 36 H GLY 36 3.871 2.167 -5.404 269 1HA GLY 36 2HA GLY 36 6.089 1.568 -5.407 270 2HA GLY 36 1HA GLY 36 5.760 0.551 -6.798 271 H CYS 37 H CYS 37 8.092 1.865 -6.651 272 HA CYS 37 HA CYS 37 7.968 3.644 -8.941 273 1HB CYS 37 2HB CYS 37 9.465 4.495 -6.450 274 2HB CYS 37 1HB CYS 37 9.260 5.412 -7.935 275 H SER 38 H SER 38 8.898 1.599 -9.726 276 HA SER 38 HA SER 38 11.725 1.321 -8.991 277 1HB SER 38 2HB SER 38 11.382 -1.168 -9.369 278 2HB SER 38 1HB SER 38 10.609 -0.492 -7.933 279 HG SER 38 HG SER 38 9.297 -0.863 -10.426 Start of MODEL 8 1 1H ILE 1 1HT ILE 1 -0.965 -9.054 -6.250 2 2H ILE 1 2HT ILE 1 0.237 -9.241 -5.073 3 3H ILE 1 3HT ILE 1 0.205 -7.842 -6.030 4 HA ILE 1 HA ILE 1 -0.609 -7.348 -3.860 5 HB ILE 1 HB ILE 1 -1.616 -6.084 -5.637 6 1HG1 ILE 1 2HG1 ILE 1 -3.775 -7.026 -3.736 7 2HG1 ILE 1 1HG1 ILE 1 -2.553 -5.816 -3.364 8 1HG2 ILE 1 1HG2 ILE 1 -3.653 -6.777 -6.785 9 2HG2 ILE 1 2HG2 ILE 1 -3.616 -8.318 -5.927 10 3HG2 ILE 1 3HG2 ILE 1 -2.334 -7.911 -7.070 11 1HD1 ILE 1 1HD1 ILE 1 -3.450 -4.371 -5.110 12 2HD1 ILE 1 2HD1 ILE 1 -4.679 -4.785 -3.912 13 3HD1 ILE 1 3HD1 ILE 1 -4.674 -5.584 -5.485 14 H GLU 2 H GLU 2 -1.316 -8.164 -2.038 15 HA GLU 2 HA GLU 2 -3.022 -10.563 -2.149 16 1HB GLU 2 2HB GLU 2 -1.944 -11.180 0.031 17 2HB GLU 2 1HB GLU 2 -0.857 -11.183 -1.347 18 1HG GLU 2 2HG GLU 2 -1.071 -8.855 0.547 19 2HG GLU 2 1HG GLU 2 0.038 -10.199 0.803 20 H ALA 3 H ALA 3 -3.910 -7.850 -2.070 21 HA ALA 3 HA ALA 3 -5.333 -6.426 -1.028 22 1HB ALA 3 1HB ALA 3 -7.181 -7.415 0.168 23 2HB ALA 3 2HB ALA 3 -6.281 -8.918 0.375 24 3HB ALA 3 3HB ALA 3 -6.784 -8.407 -1.236 25 H ILE 4 H ILE 4 -3.482 -5.453 0.070 26 HA ILE 4 HA ILE 4 -2.943 -6.196 2.794 27 HB ILE 4 HB ILE 4 -2.110 -3.701 1.295 28 1HG1 ILE 4 2HG1 ILE 4 -0.585 -6.284 1.702 29 2HG1 ILE 4 1HG1 ILE 4 -1.371 -5.811 0.201 30 1HG2 ILE 4 1HG2 ILE 4 -0.320 -3.565 2.972 31 2HG2 ILE 4 2HG2 ILE 4 -1.011 -4.957 3.807 32 3HG2 ILE 4 3HG2 ILE 4 -1.920 -3.450 3.704 33 1HD1 ILE 4 1HD1 ILE 4 0.897 -4.355 1.540 34 2HD1 ILE 4 2HD1 ILE 4 0.113 -3.883 0.034 35 3HD1 ILE 4 3HD1 ILE 4 1.019 -5.394 0.121 36 H ARG 5 H ARG 5 -4.713 -5.976 4.035 37 HA ARG 5 HA ARG 5 -6.614 -3.894 3.818 38 1HB ARG 5 2HB ARG 5 -6.064 -5.704 6.181 39 2HB ARG 5 1HB ARG 5 -7.536 -4.785 5.894 40 1HG ARG 5 2HG ARG 5 -6.508 -6.960 4.084 41 2HG ARG 5 1HG ARG 5 -7.730 -7.189 5.336 42 1HD ARG 5 2HD ARG 5 -9.268 -5.771 4.221 43 2HD ARG 5 1HD ARG 5 -8.026 -5.177 3.117 44 HE ARG 5 HE ARG 5 -8.179 -7.929 2.762 45 1HH1 ARG 5 1HH1 ARG 5 -10.378 -5.220 2.438 46 2HH1 ARG 5 2HH1 ARG 5 -11.181 -5.874 1.037 47 1HH2 ARG 5 1HH2 ARG 5 -9.251 -8.792 0.922 48 2HH2 ARG 5 2HH2 ARG 5 -10.530 -7.880 0.177 49 H CYS 6 H CYS 6 -6.619 -1.892 4.627 50 HA CYS 6 HA CYS 6 -4.486 -1.178 6.524 51 1HB CYS 6 2HB CYS 6 -4.255 0.962 5.195 52 2HB CYS 6 1HB CYS 6 -3.677 -0.496 4.393 53 H GLY 7 H GLY 7 -4.884 0.548 7.897 54 1HA GLY 7 2HA GLY 7 -7.634 1.625 7.863 55 2HA GLY 7 1HA GLY 7 -6.653 1.447 9.317 56 H GLY 8 H GLY 8 -5.321 2.522 6.301 57 1HA GLY 8 2HA GLY 8 -5.537 5.204 6.248 58 2HA GLY 8 1HA GLY 8 -4.386 4.948 7.555 59 H SER 9 H SER 9 -3.526 6.375 5.430 60 HA SER 9 HA SER 9 -2.339 4.743 3.410 61 1HB SER 9 2HB SER 9 -1.036 6.964 3.001 62 2HB SER 9 1HB SER 9 -2.772 6.917 2.693 63 HG SER 9 HG SER 9 -1.618 8.650 4.157 64 H ARG 10 H ARG 10 -1.330 5.990 6.512 65 HA ARG 10 HA ARG 10 1.450 5.380 6.146 66 1HB ARG 10 2HB ARG 10 -0.163 6.008 8.620 67 2HB ARG 10 1HB ARG 10 1.576 5.759 8.620 68 1HG ARG 10 2HG ARG 10 1.828 7.661 7.081 69 2HG ARG 10 1HG ARG 10 0.084 7.920 7.151 70 1HD ARG 10 2HD ARG 10 1.300 9.429 8.661 71 2HD ARG 10 1HD ARG 10 0.216 8.352 9.538 72 HE ARG 10 HE ARG 10 2.436 6.975 9.774 73 1HH1 ARG 10 1HH1 ARG 10 2.028 10.455 10.037 74 2HH1 ARG 10 2HH1 ARG 10 3.389 10.650 11.101 75 1HH2 ARG 10 1HH2 ARG 10 4.193 7.235 11.181 76 2HH2 ARG 10 2HH2 ARG 10 4.605 8.817 11.770 77 H ASP 11 H ASP 11 -1.195 3.502 6.488 78 HA ASP 11 HA ASP 11 0.031 1.367 8.041 79 1HB ASP 11 2HB ASP 11 -2.659 1.835 6.808 80 2HB ASP 11 1HB ASP 11 -2.152 0.177 7.113 81 H CYS 12 H CYS 12 0.088 2.510 4.921 82 HA CYS 12 HA CYS 12 0.271 -0.138 3.683 83 1HB CYS 12 2HB CYS 12 -0.155 2.608 2.531 84 2HB CYS 12 1HB CYS 12 0.017 1.152 1.557 85 H TYR 13 H TYR 13 2.252 2.475 4.651 86 HA TYR 13 HA TYR 13 4.077 2.526 2.528 87 1HB TYR 13 2HB TYR 13 4.568 3.238 5.420 88 2HB TYR 13 1HB TYR 13 5.633 3.633 4.068 89 HD1 TYR 13 1HD TYR 13 3.249 4.230 2.128 90 HD2 TYR 13 2HD TYR 13 4.217 5.559 6.056 91 HE1 TYR 13 1HE TYR 13 1.973 6.291 1.738 92 HE2 TYR 13 2HE TYR 13 2.944 7.627 5.667 93 HH TYR 13 HH TYR 13 2.197 9.004 3.746 94 H ARG 14 H ARG 14 4.372 0.745 5.651 95 HA ARG 14 HA ARG 14 6.913 -0.257 5.123 96 1HB ARG 14 2HB ARG 14 5.879 -0.404 7.336 97 2HB ARG 14 1HB ARG 14 4.737 -1.593 6.735 98 1HG ARG 14 2HG ARG 14 7.654 -2.155 6.493 99 2HG ARG 14 1HG ARG 14 6.870 -2.325 8.067 100 1HD ARG 14 2HD ARG 14 5.253 -3.880 7.086 101 2HD ARG 14 1HD ARG 14 6.026 -3.695 5.513 102 HE ARG 14 HE ARG 14 7.473 -4.805 7.832 103 1HH1 ARG 14 1HH1 ARG 14 6.432 -4.995 4.499 104 2HH1 ARG 14 2HH1 ARG 14 7.346 -6.429 4.148 105 1HH2 ARG 14 1HH2 ARG 14 8.663 -6.697 7.404 106 2HH2 ARG 14 2HH2 ARG 14 8.625 -7.403 5.812 107 HA PRO 15 HA PRO 15 4.939 -4.273 3.168 108 1HB PRO 15 2HB PRO 15 2.451 -3.790 2.038 109 2HB PRO 15 1HB PRO 15 2.728 -4.659 3.547 110 1HG PRO 15 2HG PRO 15 1.921 -1.825 3.114 111 2HG PRO 15 1HG PRO 15 1.416 -2.961 4.379 112 1HD PRO 15 2HD PRO 15 3.199 -1.008 4.856 113 2HD PRO 15 1HD PRO 15 3.311 -2.595 5.644 114 H CYS 16 H CYS 16 3.508 -1.317 1.723 115 HA CYS 16 HA CYS 16 4.010 -2.149 -0.922 116 1HB CYS 16 2HB CYS 16 3.588 0.667 0.086 117 2HB CYS 16 1HB CYS 16 3.390 0.115 -1.569 118 H GLN 17 H GLN 17 5.864 -0.087 1.283 119 HA GLN 17 HA GLN 17 7.726 0.809 -0.663 120 1HB GLN 17 2HB GLN 17 7.249 1.847 1.642 121 2HB GLN 17 1HB GLN 17 8.285 0.577 2.289 122 1HG GLN 17 2HG GLN 17 10.050 1.416 0.637 123 2HG GLN 17 1HG GLN 17 9.020 2.833 0.464 124 1HE2 GLN 17 1HE2 GLN 17 10.570 4.197 1.345 125 2HE2 GLN 17 2HE2 GLN 17 10.916 4.205 3.040 126 H LYS 18 H LYS 18 7.676 -1.881 1.628 127 HA LYS 18 HA LYS 18 10.355 -2.672 1.076 128 1HB LYS 18 2HB LYS 18 9.224 -3.202 3.203 129 2HB LYS 18 1HB LYS 18 8.135 -4.284 2.342 130 1HG LYS 18 2HG LYS 18 10.036 -5.403 3.517 131 2HG LYS 18 1HG LYS 18 9.909 -5.768 1.795 132 1HD LYS 18 2HD LYS 18 11.600 -3.964 1.386 133 2HD LYS 18 1HD LYS 18 11.817 -3.861 3.133 134 1HE LYS 18 2HE LYS 18 12.674 -6.054 3.257 135 2HE LYS 18 1HE LYS 18 12.137 -6.436 1.620 136 1HZ LYS 18 1HZ LYS 18 14.237 -4.439 2.297 137 2HZ LYS 18 2HZ LYS 18 13.748 -4.892 0.737 138 3HZ LYS 18 3HZ LYS 18 14.536 -6.014 1.738 139 H ARG 19 H ARG 19 7.181 -3.747 -0.078 140 HA ARG 19 HA ARG 19 8.080 -5.941 -1.606 141 1HB ARG 19 2HB ARG 19 5.719 -4.142 -2.144 142 2HB ARG 19 1HB ARG 19 6.003 -5.694 -2.905 143 1HG ARG 19 2HG ARG 19 5.806 -6.757 -0.671 144 2HG ARG 19 1HG ARG 19 5.349 -5.174 -0.018 145 1HD ARG 19 2HD ARG 19 3.907 -6.875 -2.024 146 2HD ARG 19 1HD ARG 19 3.295 -6.210 -0.506 147 HE ARG 19 HE ARG 19 3.940 -4.042 -2.055 148 1HH1 ARG 19 1HH1 ARG 19 1.666 -6.696 -2.227 149 2HH1 ARG 19 2HH1 ARG 19 0.721 -5.957 -3.478 150 1HH2 ARG 19 1HH2 ARG 19 2.689 -3.085 -3.714 151 2HH2 ARG 19 2HH2 ARG 19 1.282 -3.896 -4.313 152 H THR 20 H THR 20 7.275 -2.633 -2.627 153 HA THR 20 HA THR 20 8.101 -3.308 -5.333 154 HB THR 20 HB THR 20 6.964 -1.291 -6.013 155 HG1 THR 20 1HG THR 20 6.496 -0.730 -3.248 156 1HG2 THR 20 1HG2 THR 20 4.686 -1.695 -5.019 157 2HG2 THR 20 2HG2 THR 20 5.438 -2.854 -3.914 158 3HG2 THR 20 3HG2 THR 20 5.473 -3.140 -5.654 159 H GLY 21 H GLY 21 9.229 -1.508 -2.621 160 1HA GLY 21 2HA GLY 21 11.532 -0.811 -2.549 161 2HA GLY 21 1HA GLY 21 11.423 -0.443 -4.265 162 H CYS 22 H CYS 22 8.613 0.683 -3.457 163 HA CYS 22 HA CYS 22 9.606 3.253 -2.429 164 1HB CYS 22 2HB CYS 22 7.535 3.295 -4.576 165 2HB CYS 22 1HB CYS 22 8.808 4.459 -4.224 166 HA PRO 23 HA PRO 23 6.132 2.837 0.211 167 1HB PRO 23 2HB PRO 23 6.075 5.274 1.312 168 2HB PRO 23 1HB PRO 23 7.432 4.171 1.586 169 1HG PRO 23 2HG PRO 23 7.221 6.492 -0.291 170 2HG PRO 23 1HG PRO 23 8.571 6.019 0.754 171 1HD PRO 23 2HD PRO 23 8.433 5.454 -1.928 172 2HD PRO 23 1HD PRO 23 9.364 4.498 -0.759 173 H ASN 24 H ASN 24 5.929 4.526 -2.595 174 HA ASN 24 HA ASN 24 3.694 6.177 -2.328 175 1HB ASN 24 2HB ASN 24 4.488 4.568 -4.764 176 2HB ASN 24 1HB ASN 24 3.440 5.978 -4.748 177 1HD2 ASN 24 1HD2 ASN 24 4.757 7.036 -6.215 178 2HD2 ASN 24 2HD2 ASN 24 6.299 7.699 -5.770 179 H ALA 25 H ALA 25 1.929 5.395 -1.288 180 HA ALA 25 HA ALA 25 0.385 3.353 -2.645 181 1HB ALA 25 1HB ALA 25 1.792 2.045 -1.129 182 2HB ALA 25 2HB ALA 25 0.090 1.967 -0.671 183 3HB ALA 25 3HB ALA 25 1.200 2.997 0.233 184 H LYS 26 H LYS 26 -1.803 3.414 -2.142 185 HA LYS 26 HA LYS 26 -2.631 5.431 -0.182 186 1HB LYS 26 2HB LYS 26 -3.756 4.996 -2.949 187 2HB LYS 26 1HB LYS 26 -4.579 5.923 -1.704 188 1HG LYS 26 2HG LYS 26 -2.587 7.408 -1.586 189 2HG LYS 26 1HG LYS 26 -1.929 6.542 -2.978 190 1HD LYS 26 2HD LYS 26 -3.894 7.172 -4.294 191 2HD LYS 26 1HD LYS 26 -4.548 8.037 -2.901 192 1HE LYS 26 2HE LYS 26 -2.514 9.463 -2.911 193 2HE LYS 26 1HE LYS 26 -2.011 8.661 -4.397 194 1HZ LYS 26 1HZ LYS 26 -3.993 9.469 -5.485 195 2HZ LYS 26 2HZ LYS 26 -3.135 10.770 -4.821 196 3HZ LYS 26 3HZ LYS 26 -4.533 10.193 -4.051 197 H CYS 27 H CYS 27 -4.373 4.921 1.047 198 HA CYS 27 HA CYS 27 -5.097 2.109 1.093 199 1HB CYS 27 2HB CYS 27 -4.443 3.299 3.176 200 2HB CYS 27 1HB CYS 27 -5.842 4.350 2.992 201 H ILE 28 H ILE 28 -6.402 2.020 -0.778 202 HA ILE 28 HA ILE 28 -8.883 3.599 -0.683 203 HB ILE 28 HB ILE 28 -7.521 3.894 -2.721 204 1HG1 ILE 28 2HG1 ILE 28 -9.324 3.374 -4.381 205 2HG1 ILE 28 1HG1 ILE 28 -10.173 2.498 -3.112 206 1HG2 ILE 28 1HG2 ILE 28 -7.338 2.062 -4.348 207 2HG2 ILE 28 2HG2 ILE 28 -8.020 0.959 -3.151 208 3HG2 ILE 28 3HG2 ILE 28 -6.465 1.737 -2.852 209 1HD1 ILE 28 1HD1 ILE 28 -11.069 4.731 -3.405 210 2HD1 ILE 28 2HD1 ILE 28 -9.481 5.424 -3.076 211 3HD1 ILE 28 3HD1 ILE 28 -10.341 4.549 -1.809 212 H ASN 29 H ASN 29 -10.780 2.617 -0.440 213 HA ASN 29 HA ASN 29 -12.318 1.015 0.030 214 1HB ASN 29 2HB ASN 29 -10.743 -0.468 -2.084 215 2HB ASN 29 1HB ASN 29 -12.286 -1.019 -1.438 216 1HD2 ASN 29 1HD2 ASN 29 -11.555 -0.264 -4.164 217 2HD2 ASN 29 2HD2 ASN 29 -12.634 1.025 -4.602 218 H LYS 30 H LYS 30 -10.115 1.149 1.769 219 HA LYS 30 HA LYS 30 -9.230 0.080 3.563 220 1HB LYS 30 2HB LYS 30 -11.731 -1.037 3.188 221 2HB LYS 30 1HB LYS 30 -10.680 -2.439 3.293 222 1HG LYS 30 2HG LYS 30 -10.506 -0.269 5.338 223 2HG LYS 30 1HG LYS 30 -11.764 -1.501 5.440 224 1HD LYS 30 2HD LYS 30 -10.084 -3.249 5.512 225 2HD LYS 30 1HD LYS 30 -8.801 -2.057 5.297 226 1HE LYS 30 2HE LYS 30 -9.043 -2.766 7.642 227 2HE LYS 30 1HE LYS 30 -9.338 -1.042 7.426 228 1HZ LYS 30 1HZ LYS 30 -11.398 -3.162 7.756 229 2HZ LYS 30 2HZ LYS 30 -11.735 -1.529 7.436 230 3HZ LYS 30 3HZ LYS 30 -10.975 -1.970 8.887 231 H THR 31 H THR 31 -8.331 -0.491 0.694 232 HA THR 31 HA THR 31 -6.524 -2.683 1.429 233 HB THR 31 HB THR 31 -6.513 -3.397 -0.983 234 HG1 THR 31 1HG THR 31 -8.213 -1.274 -1.183 235 1HG2 THR 31 1HG2 THR 31 -7.745 -4.670 0.695 236 2HG2 THR 31 2HG2 THR 31 -8.592 -4.683 -0.852 237 3HG2 THR 31 3HG2 THR 31 -9.155 -3.639 0.455 238 H CYS 32 H CYS 32 -4.428 -2.257 1.099 239 HA CYS 32 HA CYS 32 -3.586 0.324 0.313 240 1HB CYS 32 2HB CYS 32 -2.044 -2.233 0.742 241 2HB CYS 32 1HB CYS 32 -1.289 -0.674 0.435 242 H LYS 33 H LYS 33 -3.576 1.079 -1.655 243 HA LYS 33 HA LYS 33 -3.077 -0.710 -3.922 244 1HB LYS 33 2HB LYS 33 -4.954 1.189 -3.673 245 2HB LYS 33 1HB LYS 33 -3.647 2.204 -4.258 246 1HG LYS 33 2HG LYS 33 -4.746 -0.219 -5.664 247 2HG LYS 33 1HG LYS 33 -5.117 1.458 -6.059 248 1HD LYS 33 2HD LYS 33 -2.733 1.837 -6.568 249 2HD LYS 33 1HD LYS 33 -2.409 0.135 -6.225 250 1HE LYS 33 2HE LYS 33 -4.228 1.205 -8.378 251 2HE LYS 33 1HE LYS 33 -2.625 0.515 -8.621 252 1HZ LYS 33 1HZ LYS 33 -4.456 -1.051 -9.075 253 2HZ LYS 33 2HZ LYS 33 -4.917 -0.968 -7.445 254 3HZ LYS 33 3HZ LYS 33 -3.402 -1.603 -7.868 255 H CYS 34 H CYS 34 -0.866 -1.008 -3.525 256 HA CYS 34 HA CYS 34 0.912 1.192 -3.106 257 1HB CYS 34 2HB CYS 34 1.781 -1.538 -4.009 258 2HB CYS 34 1HB CYS 34 2.613 -0.410 -2.944 259 H TYR 35 H TYR 35 1.103 2.606 -4.723 260 HA TYR 35 HA TYR 35 1.062 1.894 -7.489 261 1HB TYR 35 2HB TYR 35 1.911 4.445 -6.101 262 2HB TYR 35 1HB TYR 35 1.714 4.275 -7.841 263 HD1 TYR 35 1HD TYR 35 0.082 4.921 -4.712 264 HD2 TYR 35 2HD TYR 35 -0.589 3.728 -8.737 265 HE1 TYR 35 1HE TYR 35 -2.298 5.515 -4.488 266 HE2 TYR 35 2HE TYR 35 -2.966 4.316 -8.524 267 HH TYR 35 HH TYR 35 -4.649 4.575 -6.737 268 H GLY 36 H GLY 36 3.505 2.396 -5.062 269 1HA GLY 36 2HA GLY 36 5.786 2.191 -5.096 270 2HA GLY 36 1HA GLY 36 5.592 1.245 -6.568 271 H CYS 37 H CYS 37 7.687 2.486 -6.968 272 HA CYS 37 HA CYS 37 6.942 4.822 -8.562 273 1HB CYS 37 2HB CYS 37 8.977 5.951 -7.978 274 2HB CYS 37 1HB CYS 37 8.144 5.514 -6.495 275 H SER 38 H SER 38 7.320 1.964 -8.960 276 HA SER 38 HA SER 38 9.169 2.047 -11.198 277 1HB SER 38 2HB SER 38 9.936 -0.321 -10.333 278 2HB SER 38 1HB SER 38 10.690 1.141 -9.700 279 HG SER 38 HG SER 38 8.757 -0.534 -8.494 Start of MODEL 9 1 1H ILE 1 1HT ILE 1 -2.232 -9.935 -6.865 2 2H ILE 1 2HT ILE 1 -2.185 -8.600 -7.903 3 3H ILE 1 3HT ILE 1 -3.658 -9.105 -7.239 4 HA ILE 1 HA ILE 1 -1.366 -8.144 -5.641 5 HB ILE 1 HB ILE 1 -2.721 -6.069 -5.292 6 1HG1 ILE 1 2HG1 ILE 1 -4.242 -7.042 -7.727 7 2HG1 ILE 1 1HG1 ILE 1 -4.893 -6.975 -6.092 8 1HG2 ILE 1 1HG2 ILE 1 -0.776 -6.084 -6.738 9 2HG2 ILE 1 2HG2 ILE 1 -2.019 -5.019 -7.395 10 3HG2 ILE 1 3HG2 ILE 1 -1.765 -6.614 -8.100 11 1HD1 ILE 1 1HD1 ILE 1 -4.650 -4.551 -6.088 12 2HD1 ILE 1 2HD1 ILE 1 -5.645 -5.094 -7.439 13 3HD1 ILE 1 3HD1 ILE 1 -3.969 -4.613 -7.715 14 H GLU 2 H GLU 2 -1.529 -8.755 -3.627 15 HA GLU 2 HA GLU 2 -3.904 -10.038 -2.642 16 1HB GLU 2 2HB GLU 2 -2.571 -10.322 -0.566 17 2HB GLU 2 1HB GLU 2 -1.757 -10.921 -2.005 18 1HG GLU 2 2HG GLU 2 -0.543 -8.712 -2.085 19 2HG GLU 2 1HG GLU 2 -1.186 -8.405 -0.471 20 H ALA 3 H ALA 3 -5.086 -9.409 -0.782 21 HA ALA 3 HA ALA 3 -5.559 -6.567 -0.724 22 1HB ALA 3 1HB ALA 3 -7.478 -7.110 0.671 23 2HB ALA 3 2HB ALA 3 -6.931 -8.783 0.793 24 3HB ALA 3 3HB ALA 3 -7.438 -8.133 -0.765 25 H ILE 4 H ILE 4 -3.717 -5.723 0.266 26 HA ILE 4 HA ILE 4 -3.037 -6.451 2.968 27 HB ILE 4 HB ILE 4 -2.236 -4.013 1.350 28 1HG1 ILE 4 2HG1 ILE 4 -0.717 -6.580 1.877 29 2HG1 ILE 4 1HG1 ILE 4 -1.519 -6.174 0.363 30 1HG2 ILE 4 1HG2 ILE 4 -1.986 -3.621 3.744 31 2HG2 ILE 4 2HG2 ILE 4 -0.408 -3.757 2.967 32 3HG2 ILE 4 3HG2 ILE 4 -1.052 -5.108 3.902 33 1HD1 ILE 4 1HD1 ILE 4 0.768 -4.653 1.598 34 2HD1 ILE 4 2HD1 ILE 4 -0.020 -4.286 0.062 35 3HD1 ILE 4 3HD1 ILE 4 0.884 -5.791 0.253 36 H ARG 5 H ARG 5 -4.616 -6.104 4.438 37 HA ARG 5 HA ARG 5 -6.490 -3.964 4.207 38 1HB ARG 5 2HB ARG 5 -5.944 -6.044 6.291 39 2HB ARG 5 1HB ARG 5 -7.003 -4.690 6.663 40 1HG ARG 5 2HG ARG 5 -7.378 -6.680 4.431 41 2HG ARG 5 1HG ARG 5 -8.287 -6.614 5.945 42 1HD ARG 5 2HD ARG 5 -9.067 -4.340 5.327 43 2HD ARG 5 1HD ARG 5 -8.230 -4.514 3.781 44 HE ARG 5 HE ARG 5 -10.196 -6.561 4.437 45 1HH1 ARG 5 1HH1 ARG 5 -9.443 -3.609 2.705 46 2HH1 ARG 5 2HH1 ARG 5 -10.783 -3.753 1.608 47 1HH2 ARG 5 1HH2 ARG 5 -11.975 -6.742 3.006 48 2HH2 ARG 5 2HH2 ARG 5 -12.210 -5.547 1.767 49 H CYS 6 H CYS 6 -6.354 -1.976 4.884 50 HA CYS 6 HA CYS 6 -4.153 -1.249 6.696 51 1HB CYS 6 2HB CYS 6 -4.195 0.943 5.331 52 2HB CYS 6 1HB CYS 6 -3.460 -0.481 4.596 53 H GLY 7 H GLY 7 -4.467 0.790 7.841 54 1HA GLY 7 2HA GLY 7 -7.306 1.549 8.151 55 2HA GLY 7 1HA GLY 7 -6.134 1.607 9.466 56 H GLY 8 H GLY 8 -5.048 2.477 6.348 57 1HA GLY 8 2HA GLY 8 -5.546 5.115 6.002 58 2HA GLY 8 1HA GLY 8 -4.349 5.099 7.292 59 H SER 9 H SER 9 -3.718 6.351 4.974 60 HA SER 9 HA SER 9 -2.432 4.711 3.054 61 1HB SER 9 2HB SER 9 -1.288 6.849 2.393 62 2HB SER 9 1HB SER 9 -3.046 6.966 2.470 63 HG SER 9 HG SER 9 -2.845 7.974 4.496 64 H ARG 10 H ARG 10 -1.370 6.248 6.018 65 HA ARG 10 HA ARG 10 1.392 5.717 5.744 66 1HB ARG 10 2HB ARG 10 -0.334 6.228 8.165 67 2HB ARG 10 1HB ARG 10 1.413 6.042 8.247 68 1HG ARG 10 2HG ARG 10 1.720 7.971 6.825 69 2HG ARG 10 1HG ARG 10 -0.027 8.139 6.646 70 1HD ARG 10 2HD ARG 10 1.099 9.649 8.351 71 2HD ARG 10 1HD ARG 10 -0.313 8.744 8.896 72 HE ARG 10 HE ARG 10 1.816 7.142 9.522 73 1HH1 ARG 10 1HH1 ARG 10 1.052 10.486 10.215 74 2HH1 ARG 10 2HH1 ARG 10 1.716 10.442 11.823 75 1HH2 ARG 10 1HH2 ARG 10 2.661 7.057 11.631 76 2HH2 ARG 10 2HH2 ARG 10 2.644 8.486 12.627 77 H ASP 11 H ASP 11 -1.239 3.691 6.392 78 HA ASP 11 HA ASP 11 0.237 1.735 7.949 79 1HB ASP 11 2HB ASP 11 -2.582 1.911 6.888 80 2HB ASP 11 1HB ASP 11 -1.949 0.395 7.527 81 H CYS 12 H CYS 12 -0.106 2.601 4.767 82 HA CYS 12 HA CYS 12 0.259 -0.104 3.716 83 1HB CYS 12 2HB CYS 12 -0.471 2.513 2.436 84 2HB CYS 12 1HB CYS 12 -0.143 1.055 1.509 85 H TYR 13 H TYR 13 2.041 2.671 4.500 86 HA TYR 13 HA TYR 13 3.930 2.755 2.436 87 1HB TYR 13 2HB TYR 13 4.270 3.469 5.350 88 2HB TYR 13 1HB TYR 13 5.444 3.828 4.085 89 HD1 TYR 13 1HD TYR 13 2.963 4.381 2.092 90 HD2 TYR 13 2HD TYR 13 4.232 5.891 5.861 91 HE1 TYR 13 1HE TYR 13 1.821 6.503 1.615 92 HE2 TYR 13 2HE TYR 13 3.096 8.019 5.398 93 HH TYR 13 HH TYR 13 2.346 9.314 3.470 94 H ARG 14 H ARG 14 4.285 1.195 5.641 95 HA ARG 14 HA ARG 14 6.825 0.233 5.172 96 1HB ARG 14 2HB ARG 14 5.487 0.261 7.361 97 2HB ARG 14 1HB ARG 14 4.856 -1.298 6.850 98 1HG ARG 14 2HG ARG 14 7.805 -0.777 7.003 99 2HG ARG 14 1HG ARG 14 6.873 -1.260 8.423 100 1HD ARG 14 2HD ARG 14 6.416 -3.356 7.566 101 2HD ARG 14 1HD ARG 14 6.683 -2.847 5.898 102 HE ARG 14 HE ARG 14 9.126 -2.552 6.953 103 1HH1 ARG 14 1HH1 ARG 14 6.846 -5.209 7.199 104 2HH1 ARG 14 2HH1 ARG 14 8.083 -6.431 7.212 105 1HH2 ARG 14 1HH2 ARG 14 10.748 -4.162 6.955 106 2HH2 ARG 14 2HH2 ARG 14 10.287 -5.839 7.037 107 HA PRO 15 HA PRO 15 4.924 -4.032 3.582 108 1HB PRO 15 2HB PRO 15 2.510 -3.486 2.244 109 2HB PRO 15 1HB PRO 15 2.696 -4.400 3.739 110 1HG PRO 15 2HG PRO 15 1.870 -1.591 3.331 111 2HG PRO 15 1HG PRO 15 1.428 -2.722 4.618 112 1HD PRO 15 2HD PRO 15 3.159 -0.680 5.006 113 2HD PRO 15 1HD PRO 15 3.293 -2.222 5.875 114 H CYS 16 H CYS 16 3.552 -1.281 1.723 115 HA CYS 16 HA CYS 16 4.368 -2.409 -0.736 116 1HB CYS 16 2HB CYS 16 3.635 0.471 -0.196 117 2HB CYS 16 1HB CYS 16 3.627 -0.339 -1.755 118 H GLN 17 H GLN 17 5.867 -0.028 1.389 119 HA GLN 17 HA GLN 17 7.912 0.795 -0.385 120 1HB GLN 17 2HB GLN 17 7.162 1.846 1.881 121 2HB GLN 17 1HB GLN 17 8.243 0.659 2.610 122 1HG GLN 17 2HG GLN 17 9.161 2.600 0.511 123 2HG GLN 17 1HG GLN 17 9.186 2.970 2.231 124 1HE2 GLN 17 1HE2 GLN 17 11.352 2.734 0.264 125 2HE2 GLN 17 2HE2 GLN 17 12.450 1.564 0.910 126 H LYS 18 H LYS 18 7.764 -1.726 2.107 127 HA LYS 18 HA LYS 18 10.416 -2.635 1.868 128 1HB LYS 18 2HB LYS 18 8.549 -3.138 3.640 129 2HB LYS 18 1HB LYS 18 8.135 -4.464 2.568 130 1HG LYS 18 2HG LYS 18 10.877 -4.068 3.741 131 2HG LYS 18 1HG LYS 18 9.623 -5.053 4.488 132 1HD LYS 18 2HD LYS 18 10.818 -5.494 1.750 133 2HD LYS 18 1HD LYS 18 11.220 -6.405 3.205 134 1HE LYS 18 2HE LYS 18 8.506 -6.275 1.891 135 2HE LYS 18 1HE LYS 18 9.643 -7.618 1.774 136 1HZ LYS 18 1HZ LYS 18 7.971 -8.099 3.407 137 2HZ LYS 18 2HZ LYS 18 8.287 -6.660 4.238 138 3HZ LYS 18 3HZ LYS 18 9.455 -7.890 4.200 139 H ARG 19 H ARG 19 7.436 -3.547 0.216 140 HA ARG 19 HA ARG 19 8.565 -5.837 -1.083 141 1HB ARG 19 2HB ARG 19 5.991 -4.361 -1.671 142 2HB ARG 19 1HB ARG 19 6.419 -5.966 -2.250 143 1HG ARG 19 2HG ARG 19 6.393 -6.836 -0.010 144 2HG ARG 19 1HG ARG 19 6.126 -5.222 0.652 145 1HD ARG 19 2HD ARG 19 4.030 -6.336 0.647 146 2HD ARG 19 1HD ARG 19 3.991 -5.141 -0.649 147 HE ARG 19 HE ARG 19 4.578 -7.131 -2.137 148 1HH1 ARG 19 1HH1 ARG 19 2.722 -7.357 0.808 149 2HH1 ARG 19 2HH1 ARG 19 1.811 -8.746 0.300 150 1HH2 ARG 19 1HH2 ARG 19 3.397 -8.967 -2.834 151 2HH2 ARG 19 2HH2 ARG 19 2.196 -9.665 -1.782 152 H THR 20 H THR 20 7.681 -2.562 -2.196 153 HA THR 20 HA THR 20 8.624 -3.270 -4.867 154 HB THR 20 HB THR 20 7.594 -1.217 -5.636 155 HG1 THR 20 1HG THR 20 6.824 -0.691 -2.936 156 1HG2 THR 20 1HG2 THR 20 6.115 -3.139 -5.359 157 2HG2 THR 20 2HG2 THR 20 5.253 -1.644 -4.995 158 3HG2 THR 20 3HG2 THR 20 5.810 -2.684 -3.681 159 H GLY 21 H GLY 21 9.306 -0.948 -2.291 160 1HA GLY 21 2HA GLY 21 11.727 -0.379 -2.044 161 2HA GLY 21 1HA GLY 21 11.709 -0.091 -3.780 162 H CYS 22 H CYS 22 8.914 1.024 -3.428 163 HA CYS 22 HA CYS 22 9.714 3.653 -2.365 164 1HB CYS 22 2HB CYS 22 7.789 3.156 -4.645 165 2HB CYS 22 1HB CYS 22 8.380 4.713 -4.080 166 HA PRO 23 HA PRO 23 6.320 3.056 0.360 167 1HB PRO 23 2HB PRO 23 6.131 5.513 1.419 168 2HB PRO 23 1HB PRO 23 7.533 4.475 1.714 169 1HG PRO 23 2HG PRO 23 7.229 6.754 -0.205 170 2HG PRO 23 1HG PRO 23 8.592 6.360 0.856 171 1HD PRO 23 2HD PRO 23 8.507 5.746 -1.814 172 2HD PRO 23 1HD PRO 23 9.455 4.839 -0.620 173 H ASN 24 H ASN 24 5.975 4.789 -2.472 174 HA ASN 24 HA ASN 24 3.580 6.202 -2.083 175 1HB ASN 24 2HB ASN 24 4.685 4.915 -4.583 176 2HB ASN 24 1HB ASN 24 3.286 5.980 -4.558 177 1HD2 ASN 24 1HD2 ASN 24 5.965 6.200 -5.812 178 2HD2 ASN 24 2HD2 ASN 24 6.580 7.726 -5.281 179 H ALA 25 H ALA 25 1.895 5.263 -1.164 180 HA ALA 25 HA ALA 25 0.502 3.175 -2.586 181 1HB ALA 25 1HB ALA 25 0.321 1.688 -0.654 182 2HB ALA 25 2HB ALA 25 1.404 2.740 0.260 183 3HB ALA 25 3HB ALA 25 2.002 1.874 -1.156 184 H LYS 26 H LYS 26 -1.693 3.149 -2.093 185 HA LYS 26 HA LYS 26 -2.564 5.125 -0.108 186 1HB LYS 26 2HB LYS 26 -3.655 4.699 -2.886 187 2HB LYS 26 1HB LYS 26 -4.499 5.613 -1.644 188 1HG LYS 26 2HG LYS 26 -2.603 7.157 -1.504 189 2HG LYS 26 1HG LYS 26 -1.791 6.257 -2.785 190 1HD LYS 26 2HD LYS 26 -3.638 6.770 -4.308 191 2HD LYS 26 1HD LYS 26 -4.442 7.674 -3.024 192 1HE LYS 26 2HE LYS 26 -2.563 9.228 -2.931 193 2HE LYS 26 1HE LYS 26 -1.737 8.317 -4.194 194 1HZ LYS 26 1HZ LYS 26 -2.815 10.234 -5.131 195 2HZ LYS 26 2HZ LYS 26 -4.309 9.777 -4.471 196 3HZ LYS 26 3HZ LYS 26 -3.595 8.834 -5.685 197 H CYS 27 H CYS 27 -4.346 4.643 1.059 198 HA CYS 27 HA CYS 27 -5.079 1.824 1.113 199 1HB CYS 27 2HB CYS 27 -4.413 3.004 3.201 200 2HB CYS 27 1HB CYS 27 -5.800 4.068 3.019 201 H ILE 28 H ILE 28 -6.304 1.867 -0.840 202 HA ILE 28 HA ILE 28 -8.806 3.403 -0.682 203 HB ILE 28 HB ILE 28 -7.388 3.805 -2.692 204 1HG1 ILE 28 2HG1 ILE 28 -9.215 3.508 -4.363 205 2HG1 ILE 28 1HG1 ILE 28 -10.080 2.520 -3.188 206 1HG2 ILE 28 1HG2 ILE 28 -8.025 0.939 -3.354 207 2HG2 ILE 28 2HG2 ILE 28 -6.438 1.589 -2.948 208 3HG2 ILE 28 3HG2 ILE 28 -7.243 2.095 -4.431 209 1HD1 ILE 28 1HD1 ILE 28 -10.959 4.762 -3.197 210 2HD1 ILE 28 2HD1 ILE 28 -9.354 5.423 -2.893 211 3HD1 ILE 28 3HD1 ILE 28 -10.150 4.442 -1.663 212 H ASN 29 H ASN 29 -10.700 2.387 -0.513 213 HA ASN 29 HA ASN 29 -12.216 0.743 -0.078 214 1HB ASN 29 2HB ASN 29 -10.467 -0.903 -1.927 215 2HB ASN 29 1HB ASN 29 -12.057 -1.389 -1.355 216 1HD2 ASN 29 1HD2 ASN 29 -10.290 0.595 -3.535 217 2HD2 ASN 29 2HD2 ASN 29 -11.641 1.213 -4.423 218 H LYS 30 H LYS 30 -9.916 1.165 1.567 219 HA LYS 30 HA LYS 30 -8.743 0.354 3.311 220 1HB LYS 30 2HB LYS 30 -11.100 -0.381 3.936 221 2HB LYS 30 1HB LYS 30 -10.625 -1.987 3.394 222 1HG LYS 30 2HG LYS 30 -8.701 -1.852 4.997 223 2HG LYS 30 1HG LYS 30 -9.430 -0.377 5.634 224 1HD LYS 30 2HD LYS 30 -11.480 -1.669 6.106 225 2HD LYS 30 1HD LYS 30 -10.639 -3.133 5.603 226 1HE LYS 30 2HE LYS 30 -10.573 -2.936 8.017 227 2HE LYS 30 1HE LYS 30 -8.954 -2.744 7.348 228 1HZ LYS 30 1HZ LYS 30 -9.338 -1.111 9.049 229 2HZ LYS 30 2HZ LYS 30 -10.745 -0.561 8.278 230 3HZ LYS 30 3HZ LYS 30 -9.232 -0.324 7.552 231 H THR 31 H THR 31 -8.091 -0.523 0.572 232 HA THR 31 HA THR 31 -6.384 -2.765 1.389 233 HB THR 31 HB THR 31 -6.442 -3.404 -1.138 234 HG1 THR 31 1HG THR 31 -8.117 -1.418 -1.225 235 1HG2 THR 31 1HG2 THR 31 -8.784 -3.990 0.675 236 2HG2 THR 31 2HG2 THR 31 -7.241 -4.848 0.659 237 3HG2 THR 31 3HG2 THR 31 -8.315 -4.935 -0.740 238 H CYS 32 H CYS 32 -4.306 -2.428 1.106 239 HA CYS 32 HA CYS 32 -3.340 0.073 0.266 240 1HB CYS 32 2HB CYS 32 -1.912 -2.539 0.756 241 2HB CYS 32 1HB CYS 32 -1.098 -1.001 0.480 242 H LYS 33 H LYS 33 -3.372 0.776 -1.710 243 HA LYS 33 HA LYS 33 -2.818 -1.045 -3.934 244 1HB LYS 33 2HB LYS 33 -4.775 0.700 -3.805 245 2HB LYS 33 1HB LYS 33 -3.525 1.865 -4.203 246 1HG LYS 33 2HG LYS 33 -4.135 -0.550 -5.883 247 2HG LYS 33 1HG LYS 33 -4.874 1.030 -6.132 248 1HD LYS 33 2HD LYS 33 -2.628 1.994 -6.461 249 2HD LYS 33 1HD LYS 33 -1.931 0.382 -6.281 250 1HE LYS 33 2HE LYS 33 -3.890 1.240 -8.408 251 2HE LYS 33 1HE LYS 33 -2.159 0.998 -8.635 252 1HZ LYS 33 1HZ LYS 33 -3.419 -0.911 -9.389 253 2HZ LYS 33 2HZ LYS 33 -4.119 -1.101 -7.859 254 3HZ LYS 33 3HZ LYS 33 -2.450 -1.337 -8.063 255 H CYS 34 H CYS 34 -0.639 -1.327 -3.713 256 HA CYS 34 HA CYS 34 1.154 0.808 -3.121 257 1HB CYS 34 2HB CYS 34 1.957 -1.843 -4.309 258 2HB CYS 34 1HB CYS 34 2.882 -0.798 -3.231 259 H TYR 35 H TYR 35 1.657 2.353 -4.508 260 HA TYR 35 HA TYR 35 1.564 1.878 -7.372 261 1HB TYR 35 2HB TYR 35 2.201 4.371 -5.776 262 2HB TYR 35 1HB TYR 35 2.121 4.309 -7.532 263 HD1 TYR 35 1HD TYR 35 0.257 4.617 -4.472 264 HD2 TYR 35 2HD TYR 35 -0.080 3.758 -8.624 265 HE1 TYR 35 1HE TYR 35 -2.162 5.074 -4.362 266 HE2 TYR 35 2HE TYR 35 -2.493 4.219 -8.532 267 HH TYR 35 HH TYR 35 -3.980 5.766 -5.931 268 H GLY 36 H GLY 36 3.861 2.347 -4.804 269 1HA GLY 36 2HA GLY 36 6.146 2.221 -4.716 270 2HA GLY 36 1HA GLY 36 6.023 1.175 -6.126 271 H CYS 37 H CYS 37 7.345 1.867 -7.648 272 HA CYS 37 HA CYS 37 7.124 4.678 -8.447 273 1HB CYS 37 2HB CYS 37 9.657 3.048 -8.215 274 2HB CYS 37 1HB CYS 37 9.549 4.529 -9.157 275 H SER 38 H SER 38 5.740 2.362 -9.295 276 HA SER 38 HA SER 38 5.068 1.231 -11.129 277 1HB SER 38 2HB SER 38 4.978 3.442 -12.171 278 2HB SER 38 1HB SER 38 6.688 3.338 -12.586 279 HG SER 38 HG SER 38 5.999 2.486 -14.365 Start of MODEL 10 1 1H ILE 1 1HT ILE 1 -4.016 -9.668 -7.792 2 2H ILE 1 2HT ILE 1 -3.493 -8.317 -8.670 3 3H ILE 1 3HT ILE 1 -4.875 -8.209 -7.689 4 HA ILE 1 HA ILE 1 -2.091 -8.649 -6.768 5 HB ILE 1 HB ILE 1 -2.340 -6.455 -5.664 6 1HG1 ILE 1 2HG1 ILE 1 -4.882 -6.210 -7.293 7 2HG1 ILE 1 1HG1 ILE 1 -4.818 -6.444 -5.549 8 1HG2 ILE 1 1HG2 ILE 1 -2.737 -6.413 -8.654 9 2HG2 ILE 1 2HG2 ILE 1 -1.205 -6.587 -7.800 10 3HG2 ILE 1 3HG2 ILE 1 -2.108 -5.077 -7.688 11 1HD1 ILE 1 1HD1 ILE 1 -5.239 -4.123 -6.123 12 2HD1 ILE 1 2HD1 ILE 1 -3.737 -4.068 -7.045 13 3HD1 ILE 1 3HD1 ILE 1 -3.691 -4.302 -5.297 14 H GLU 2 H GLU 2 -2.064 -8.107 -4.308 15 HA GLU 2 HA GLU 2 -4.133 -9.790 -3.095 16 1HB GLU 2 2HB GLU 2 -2.523 -10.029 -1.227 17 2HB GLU 2 1HB GLU 2 -1.877 -10.582 -2.765 18 1HG GLU 2 2HG GLU 2 -0.745 -8.367 -2.989 19 2HG GLU 2 1HG GLU 2 -1.253 -8.015 -1.338 20 H ALA 3 H ALA 3 -5.197 -9.191 -1.227 21 HA ALA 3 HA ALA 3 -5.645 -6.349 -1.012 22 1HB ALA 3 1HB ALA 3 -6.930 -8.642 0.467 23 2HB ALA 3 2HB ALA 3 -7.529 -7.901 -1.019 24 3HB ALA 3 3HB ALA 3 -7.475 -6.965 0.477 25 H ILE 4 H ILE 4 -3.753 -5.549 -0.085 26 HA ILE 4 HA ILE 4 -2.874 -6.429 2.515 27 HB ILE 4 HB ILE 4 -2.190 -3.946 0.915 28 1HG1 ILE 4 2HG1 ILE 4 -0.628 -6.500 1.356 29 2HG1 ILE 4 1HG1 ILE 4 -1.495 -6.086 -0.118 30 1HG2 ILE 4 1HG2 ILE 4 -0.269 -3.689 2.439 31 2HG2 ILE 4 2HG2 ILE 4 -0.892 -5.016 3.423 32 3HG2 ILE 4 3HG2 ILE 4 -1.814 -3.518 3.275 33 1HD1 ILE 4 1HD1 ILE 4 0.902 -5.692 -0.326 34 2HD1 ILE 4 2HD1 ILE 4 0.835 -4.566 1.030 35 3HD1 ILE 4 3HD1 ILE 4 -0.013 -4.191 -0.469 36 H ARG 5 H ARG 5 -4.425 -6.199 4.061 37 HA ARG 5 HA ARG 5 -6.319 -4.090 4.098 38 1HB ARG 5 2HB ARG 5 -5.464 -6.054 6.222 39 2HB ARG 5 1HB ARG 5 -6.777 -4.904 6.438 40 1HG ARG 5 2HG ARG 5 -6.668 -6.978 4.260 41 2HG ARG 5 1HG ARG 5 -7.544 -7.156 5.782 42 1HD ARG 5 2HD ARG 5 -9.007 -5.359 5.251 43 2HD ARG 5 1HD ARG 5 -8.015 -4.880 3.873 44 HE ARG 5 HE ARG 5 -8.683 -7.169 2.950 45 1HH1 ARG 5 1HH1 ARG 5 -10.717 -5.369 5.155 46 2HH1 ARG 5 2HH1 ARG 5 -12.203 -5.893 4.425 47 1HH2 ARG 5 1HH2 ARG 5 -10.642 -7.848 1.961 48 2HH2 ARG 5 2HH2 ARG 5 -12.163 -7.304 2.612 49 H CYS 6 H CYS 6 -6.337 -2.154 5.081 50 HA CYS 6 HA CYS 6 -4.011 -1.397 6.691 51 1HB CYS 6 2HB CYS 6 -3.959 0.763 5.349 52 2HB CYS 6 1HB CYS 6 -3.349 -0.680 4.545 53 H GLY 7 H GLY 7 -4.256 0.508 7.914 54 1HA GLY 7 2HA GLY 7 -7.041 1.471 8.182 55 2HA GLY 7 1HA GLY 7 -5.924 1.348 9.537 56 H GLY 8 H GLY 8 -5.192 2.495 6.291 57 1HA GLY 8 2HA GLY 8 -5.442 5.107 6.187 58 2HA GLY 8 1HA GLY 8 -4.226 4.996 7.454 59 H SER 9 H SER 9 -3.773 6.337 5.036 60 HA SER 9 HA SER 9 -2.328 4.760 3.184 61 1HB SER 9 2HB SER 9 -1.266 7.001 2.573 62 2HB SER 9 1HB SER 9 -3.025 6.914 2.458 63 HG SER 9 HG SER 9 -3.232 8.205 4.154 64 H ARG 10 H ARG 10 -1.468 6.383 6.169 65 HA ARG 10 HA ARG 10 1.337 5.996 6.038 66 1HB ARG 10 2HB ARG 10 -0.541 6.347 8.378 67 2HB ARG 10 1HB ARG 10 1.211 6.292 8.529 68 1HG ARG 10 2HG ARG 10 1.481 8.309 7.356 69 2HG ARG 10 1HG ARG 10 -0.190 8.287 6.783 70 1HD ARG 10 2HD ARG 10 0.414 9.850 8.738 71 2HD ARG 10 1HD ARG 10 -1.045 8.869 8.866 72 HE ARG 10 HE ARG 10 0.789 7.312 10.065 73 1HH1 ARG 10 1HH1 ARG 10 0.111 10.725 10.437 74 2HH1 ARG 10 2HH1 ARG 10 0.412 10.724 12.151 75 1HH2 ARG 10 1HH2 ARG 10 1.203 7.316 12.320 76 2HH2 ARG 10 2HH2 ARG 10 1.052 8.801 13.208 77 H ASP 11 H ASP 11 -1.210 3.844 6.451 78 HA ASP 11 HA ASP 11 0.315 1.939 8.061 79 1HB ASP 11 2HB ASP 11 -2.084 2.484 8.581 80 2HB ASP 11 1HB ASP 11 -2.536 1.757 7.045 81 H CYS 12 H CYS 12 0.050 2.792 4.936 82 HA CYS 12 HA CYS 12 0.285 0.065 3.868 83 1HB CYS 12 2HB CYS 12 -0.389 2.684 2.553 84 2HB CYS 12 1HB CYS 12 -0.070 1.212 1.652 85 H TYR 13 H TYR 13 2.127 2.779 4.660 86 HA TYR 13 HA TYR 13 3.931 2.829 2.498 87 1HB TYR 13 2HB TYR 13 4.365 3.696 5.359 88 2HB TYR 13 1HB TYR 13 5.450 4.049 4.012 89 HD1 TYR 13 1HD TYR 13 3.876 5.990 5.906 90 HD2 TYR 13 2HD TYR 13 3.172 4.518 1.974 91 HE1 TYR 13 1HE TYR 13 2.580 8.013 5.383 92 HE2 TYR 13 2HE TYR 13 1.885 6.535 1.442 93 HH TYR 13 HH TYR 13 0.744 8.304 2.433 94 H ARG 14 H ARG 14 4.283 1.322 5.728 95 HA ARG 14 HA ARG 14 6.797 0.268 5.325 96 1HB ARG 14 2HB ARG 14 5.808 0.182 7.504 97 2HB ARG 14 1HB ARG 14 4.528 -0.881 6.939 98 1HG ARG 14 2HG ARG 14 6.203 -2.107 8.215 99 2HG ARG 14 1HG ARG 14 6.146 -2.651 6.535 100 1HD ARG 14 2HD ARG 14 8.133 -1.473 5.997 101 2HD ARG 14 1HD ARG 14 8.140 -0.643 7.559 102 HE ARG 14 HE ARG 14 8.201 -3.461 7.900 103 1HH1 ARG 14 1HH1 ARG 14 10.243 -0.760 6.991 104 2HH1 ARG 14 2HH1 ARG 14 11.699 -1.509 7.586 105 1HH2 ARG 14 1HH2 ARG 14 10.103 -4.448 8.676 106 2HH2 ARG 14 2HH2 ARG 14 11.619 -3.598 8.554 107 HA PRO 15 HA PRO 15 4.945 -3.890 3.606 108 1HB PRO 15 2HB PRO 15 2.540 -3.530 2.260 109 2HB PRO 15 1HB PRO 15 2.717 -4.279 3.848 110 1HG PRO 15 2HG PRO 15 1.901 -1.502 3.146 111 2HG PRO 15 1HG PRO 15 1.346 -2.541 4.471 112 1HD PRO 15 2HD PRO 15 3.075 -0.509 4.875 113 2HD PRO 15 1HD PRO 15 3.151 -2.013 5.815 114 H CYS 16 H CYS 16 3.561 -1.131 1.770 115 HA CYS 16 HA CYS 16 4.369 -2.217 -0.713 116 1HB CYS 16 2HB CYS 16 3.669 0.662 -0.126 117 2HB CYS 16 1HB CYS 16 3.616 -0.140 -1.687 118 H GLN 17 H GLN 17 5.867 0.135 1.460 119 HA GLN 17 HA GLN 17 7.924 0.928 -0.351 120 1HB GLN 17 2HB GLN 17 7.187 2.217 1.709 121 2HB GLN 17 1HB GLN 17 8.033 1.013 2.670 122 1HG GLN 17 2HG GLN 17 10.102 1.600 1.435 123 2HG GLN 17 1HG GLN 17 9.221 2.926 0.689 124 1HE2 GLN 17 1HE2 GLN 17 8.613 4.689 1.942 125 2HE2 GLN 17 2HE2 GLN 17 9.284 4.986 3.505 126 H LYS 18 H LYS 18 7.659 -1.530 2.173 127 HA LYS 18 HA LYS 18 10.355 -2.373 2.134 128 1HB LYS 18 2HB LYS 18 8.993 -2.894 4.030 129 2HB LYS 18 1HB LYS 18 7.808 -3.717 3.030 130 1HG LYS 18 2HG LYS 18 9.133 -5.302 4.290 131 2HG LYS 18 1HG LYS 18 9.422 -5.481 2.560 132 1HD LYS 18 2HD LYS 18 11.490 -4.189 2.775 133 2HD LYS 18 1HD LYS 18 11.202 -4.018 4.508 134 1HE LYS 18 2HE LYS 18 11.403 -6.381 4.836 135 2HE LYS 18 1HE LYS 18 11.472 -6.662 3.096 136 1HZ LYS 18 1HZ LYS 18 13.504 -5.214 4.709 137 2HZ LYS 18 2HZ LYS 18 13.558 -5.430 3.027 138 3HZ LYS 18 3HZ LYS 18 13.667 -6.775 4.057 139 H ARG 19 H ARG 19 7.569 -3.175 0.208 140 HA ARG 19 HA ARG 19 8.793 -5.559 -0.894 141 1HB ARG 19 2HB ARG 19 6.163 -4.228 -1.557 142 2HB ARG 19 1HB ARG 19 6.681 -5.813 -2.114 143 1HG ARG 19 2HG ARG 19 6.644 -6.673 0.133 144 2HG ARG 19 1HG ARG 19 6.292 -5.064 0.778 145 1HD ARG 19 2HD ARG 19 4.257 -6.378 0.690 146 2HD ARG 19 1HD ARG 19 4.175 -5.049 -0.463 147 HE ARG 19 HE ARG 19 5.007 -6.926 -2.086 148 1HH1 ARG 19 1HH1 ARG 19 2.655 -7.230 0.493 149 2HH1 ARG 19 2HH1 ARG 19 1.749 -8.479 -0.315 150 1HH2 ARG 19 1HH2 ARG 19 3.851 -8.570 -3.133 151 2HH2 ARG 19 2HH2 ARG 19 2.426 -9.245 -2.384 152 H THR 20 H THR 20 7.780 -2.353 -2.081 153 HA THR 20 HA THR 20 8.818 -3.032 -4.727 154 HB THR 20 HB THR 20 7.689 -1.066 -5.537 155 HG1 THR 20 1HG THR 20 6.836 -0.456 -2.893 156 1HG2 THR 20 1HG2 THR 20 5.362 -1.541 -4.854 157 2HG2 THR 20 2HG2 THR 20 5.968 -2.539 -3.531 158 3HG2 THR 20 3HG2 THR 20 6.267 -3.014 -5.203 159 H GLY 21 H GLY 21 9.607 -1.103 -1.960 160 1HA GLY 21 2HA GLY 21 11.787 -0.196 -1.630 161 2HA GLY 21 1HA GLY 21 11.950 -0.043 -3.374 162 H CYS 22 H CYS 22 8.972 0.983 -3.065 163 HA CYS 22 HA CYS 22 9.688 3.725 -2.292 164 1HB CYS 22 2HB CYS 22 8.241 2.870 -4.806 165 2HB CYS 22 1HB CYS 22 8.347 4.537 -4.249 166 HA PRO 23 HA PRO 23 6.092 3.387 0.119 167 1HB PRO 23 2HB PRO 23 5.870 5.869 1.007 168 2HB PRO 23 1HB PRO 23 7.342 4.937 1.320 169 1HG PRO 23 2HG PRO 23 6.833 7.033 -0.759 170 2HG PRO 23 1HG PRO 23 8.244 6.828 0.288 171 1HD PRO 23 2HD PRO 23 8.095 5.956 -2.324 172 2HD PRO 23 1HD PRO 23 9.197 5.288 -1.103 173 H ASN 24 H ASN 24 5.758 4.675 -2.880 174 HA ASN 24 HA ASN 24 3.370 6.157 -2.710 175 1HB ASN 24 2HB ASN 24 4.548 4.545 -4.976 176 2HB ASN 24 1HB ASN 24 3.070 5.483 -5.141 177 1HD2 ASN 24 1HD2 ASN 24 4.021 6.767 -6.722 178 2HD2 ASN 24 2HD2 ASN 24 5.171 8.003 -6.325 179 H ALA 25 H ALA 25 1.777 5.304 -1.519 180 HA ALA 25 HA ALA 25 0.352 3.019 -2.598 181 1HB ALA 25 1HB ALA 25 1.961 1.970 -1.075 182 2HB ALA 25 2HB ALA 25 0.306 1.797 -0.490 183 3HB ALA 25 3HB ALA 25 1.379 2.994 0.239 184 H LYS 26 H LYS 26 -1.803 3.118 -2.185 185 HA LYS 26 HA LYS 26 -2.703 5.152 -0.266 186 1HB LYS 26 2HB LYS 26 -3.862 4.565 -2.997 187 2HB LYS 26 1HB LYS 26 -4.630 5.593 -1.795 188 1HG LYS 26 2HG LYS 26 -2.701 7.098 -1.850 189 2HG LYS 26 1HG LYS 26 -1.947 6.076 -3.074 190 1HD LYS 26 2HD LYS 26 -3.889 6.495 -4.553 191 2HD LYS 26 1HD LYS 26 -4.537 7.600 -3.339 192 1HE LYS 26 2HE LYS 26 -2.519 8.980 -3.530 193 2HE LYS 26 1HE LYS 26 -1.888 7.880 -4.756 194 1HZ LYS 26 1HZ LYS 26 -4.340 9.543 -4.971 195 2HZ LYS 26 2HZ LYS 26 -3.821 8.423 -6.138 196 3HZ LYS 26 3HZ LYS 26 -2.876 9.790 -5.792 197 H CYS 27 H CYS 27 -4.368 4.608 1.027 198 HA CYS 27 HA CYS 27 -4.952 1.765 1.196 199 1HB CYS 27 2HB CYS 27 -4.261 3.036 3.205 200 2HB CYS 27 1HB CYS 27 -5.689 4.047 3.047 201 H ILE 28 H ILE 28 -6.236 1.755 -0.756 202 HA ILE 28 HA ILE 28 -8.779 3.202 -0.633 203 HB ILE 28 HB ILE 28 -7.432 3.378 -2.707 204 1HG1 ILE 28 2HG1 ILE 28 -9.272 2.676 -4.310 205 2HG1 ILE 28 1HG1 ILE 28 -10.116 2.017 -2.911 206 1HG2 ILE 28 1HG2 ILE 28 -7.955 0.429 -2.964 207 2HG2 ILE 28 2HG2 ILE 28 -6.390 1.205 -2.711 208 3HG2 ILE 28 3HG2 ILE 28 -7.266 1.458 -4.221 209 1HD1 ILE 28 1HD1 ILE 28 -10.938 4.223 -3.470 210 2HD1 ILE 28 2HD1 ILE 28 -9.311 4.887 -3.304 211 3HD1 ILE 28 3HD1 ILE 28 -10.146 4.235 -1.893 212 H ASN 29 H ASN 29 -10.653 2.203 -0.253 213 HA ASN 29 HA ASN 29 -12.186 0.596 0.269 214 1HB ASN 29 2HB ASN 29 -10.495 -1.206 -1.483 215 2HB ASN 29 1HB ASN 29 -12.153 -1.510 -0.980 216 1HD2 ASN 29 1HD2 ASN 29 -10.912 -1.235 -3.628 217 2HD2 ASN 29 2HD2 ASN 29 -11.823 0.005 -4.441 218 H LYS 30 H LYS 30 -9.786 0.968 1.881 219 HA LYS 30 HA LYS 30 -8.787 0.132 3.739 220 1HB LYS 30 2HB LYS 30 -11.152 -0.763 4.112 221 2HB LYS 30 1HB LYS 30 -10.516 -2.307 3.561 222 1HG LYS 30 2HG LYS 30 -8.766 -2.095 5.357 223 2HG LYS 30 1HG LYS 30 -9.694 -0.730 5.980 224 1HD LYS 30 2HD LYS 30 -10.924 -3.403 5.481 225 2HD LYS 30 1HD LYS 30 -10.134 -3.025 7.007 226 1HE LYS 30 2HE LYS 30 -12.460 -2.628 7.310 227 2HE LYS 30 1HE LYS 30 -11.682 -1.053 7.196 228 1HZ LYS 30 1HZ LYS 30 -12.882 -2.325 4.813 229 2HZ LYS 30 2HZ LYS 30 -12.561 -0.682 5.094 230 3HZ LYS 30 3HZ LYS 30 -13.835 -1.451 5.907 231 H THR 31 H THR 31 -8.155 -0.745 0.866 232 HA THR 31 HA THR 31 -6.249 -2.831 1.674 233 HB THR 31 HB THR 31 -6.371 -3.716 -0.675 234 HG1 THR 31 1HG THR 31 -7.945 -1.596 -1.019 235 1HG2 THR 31 1HG2 THR 31 -7.467 -4.886 1.154 236 2HG2 THR 31 2HG2 THR 31 -8.451 -4.986 -0.307 237 3HG2 THR 31 3HG2 THR 31 -8.895 -3.863 0.978 238 H CYS 32 H CYS 32 -4.204 -2.365 1.291 239 HA CYS 32 HA CYS 32 -3.432 0.165 0.313 240 1HB CYS 32 2HB CYS 32 -1.783 -2.314 0.819 241 2HB CYS 32 1HB CYS 32 -1.126 -0.707 0.527 242 H LYS 33 H LYS 33 -3.470 0.784 -1.696 243 HA LYS 33 HA LYS 33 -2.891 -1.116 -3.843 244 1HB LYS 33 2HB LYS 33 -4.772 0.880 -3.646 245 2HB LYS 33 1HB LYS 33 -3.488 1.688 -4.533 246 1HG LYS 33 2HG LYS 33 -4.749 -0.923 -5.342 247 2HG LYS 33 1HG LYS 33 -5.198 0.656 -5.984 248 1HD LYS 33 2HD LYS 33 -2.943 0.952 -6.861 249 2HD LYS 33 1HD LYS 33 -2.464 -0.607 -6.186 250 1HE LYS 33 2HE LYS 33 -4.082 -1.738 -7.607 251 2HE LYS 33 1HE LYS 33 -4.620 -0.189 -8.253 252 1HZ LYS 33 1HZ LYS 33 -2.494 0.145 -9.259 253 2HZ LYS 33 2HZ LYS 33 -3.057 -1.388 -9.714 254 3HZ LYS 33 3HZ LYS 33 -1.856 -1.244 -8.522 255 H CYS 34 H CYS 34 -0.685 -1.329 -3.478 256 HA CYS 34 HA CYS 34 1.062 0.909 -3.227 257 1HB CYS 34 2HB CYS 34 1.973 -1.805 -4.142 258 2HB CYS 34 1HB CYS 34 2.810 -0.642 -3.116 259 H TYR 35 H TYR 35 1.375 2.283 -4.854 260 HA TYR 35 HA TYR 35 1.271 1.355 -7.608 261 1HB TYR 35 2HB TYR 35 1.846 4.140 -6.573 262 2HB TYR 35 1HB TYR 35 1.437 3.695 -8.226 263 HD1 TYR 35 1HD TYR 35 -0.874 2.706 -8.651 264 HD2 TYR 35 2HD TYR 35 0.164 4.681 -5.030 265 HE1 TYR 35 1HE TYR 35 -3.259 3.044 -8.159 266 HE2 TYR 35 2HE TYR 35 -2.221 5.022 -4.528 267 HH TYR 35 HH TYR 35 -4.367 5.177 -5.841 268 H GLY 36 H GLY 36 3.503 2.214 -5.143 269 1HA GLY 36 2HA GLY 36 5.784 2.136 -5.002 270 2HA GLY 36 1HA GLY 36 5.704 0.990 -6.333 271 H CYS 37 H CYS 37 7.606 1.823 -7.213 272 HA CYS 37 HA CYS 37 7.150 4.258 -8.766 273 1HB CYS 37 2HB CYS 37 9.627 4.647 -8.538 274 2HB CYS 37 1HB CYS 37 8.702 4.829 -7.051 275 H SER 38 H SER 38 6.707 1.476 -9.313 276 HA SER 38 HA SER 38 8.229 1.187 -11.752 277 1HB SER 38 2HB SER 38 9.638 0.064 -10.032 278 2HB SER 38 1HB SER 38 8.278 -0.982 -9.631 279 HG SER 38 HG SER 38 8.704 -2.166 -11.308
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