NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
10627 | 1q2k | cing | recoord | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -3.069 -10.876 -10.264 2 2H ALA 1 2H ALA 1 -2.299 -12.284 -9.655 3 3H ALA 1 3H ALA 1 -1.626 -11.446 -10.992 4 HA ALA 1 HA ALA 1 -0.405 -11.001 -9.018 5 1HB ALA 1 1HB ALA 1 -2.034 -8.664 -10.006 6 2HB ALA 1 2HB ALA 1 -0.528 -9.265 -10.701 7 3HB ALA 1 3HB ALA 1 -0.531 -8.543 -9.091 8 H ALA 2 H ALA 2 -0.533 -11.274 -6.897 9 HA ALA 2 HA ALA 2 -3.042 -10.790 -5.502 10 1HB ALA 2 1HB ALA 2 -1.963 -11.909 -3.605 11 2HB ALA 2 2HB ALA 2 -0.457 -11.996 -4.519 12 3HB ALA 2 3HB ALA 2 -1.877 -12.882 -5.075 13 H CYS 3 H CYS 3 -3.462 -8.954 -4.475 14 HA CYS 3 HA CYS 3 -1.366 -6.996 -4.061 15 1HB CYS 3 1HB CYS 3 -3.824 -6.585 -4.866 16 2HB CYS 3 2HB CYS 3 -4.201 -6.620 -3.148 17 H TYR 4 H TYR 4 -0.226 -6.827 -2.246 18 HA TYR 4 HA TYR 4 -1.382 -7.900 0.247 19 1HB TYR 4 1HB TYR 4 1.297 -8.149 -0.962 20 2HB TYR 4 2HB TYR 4 1.294 -7.783 0.757 21 HD1 TYR 4 1HD TYR 4 -0.239 -10.141 -1.700 22 HD2 TYR 4 2HD TYR 4 1.114 -9.512 2.285 23 HE1 TYR 4 1HE TYR 4 -0.646 -12.511 -1.193 24 HE2 TYR 4 2HE TYR 4 0.713 -11.879 2.803 25 HH TYR 4 HH TYR 4 0.583 -14.172 0.957 26 H SER 5 H SER 5 -1.597 -6.565 1.936 27 HA SER 5 HA SER 5 -1.155 -3.779 1.623 28 1HB SER 5 1HB SER 5 -1.886 -3.621 3.997 29 2HB SER 5 2HB SER 5 -2.987 -4.583 3.013 30 HG SER 5 HG SER 5 -2.475 -6.315 4.119 31 H SER 6 H SER 6 0.749 -6.372 2.962 32 HA SER 6 HA SER 6 2.512 -4.709 4.484 33 1HB SER 6 1HB SER 6 2.540 -7.583 3.602 34 2HB SER 6 2HB SER 6 4.003 -6.860 4.271 35 HG SER 6 HG SER 6 3.064 -6.685 6.192 36 H ASP 7 H ASP 7 2.560 -6.121 1.239 37 HA ASP 7 HA ASP 7 5.176 -5.175 0.581 38 1HB ASP 7 1HB ASP 7 3.401 -6.936 -0.571 39 2HB ASP 7 2HB ASP 7 3.287 -5.552 -1.645 40 H CYS 8 H CYS 8 1.875 -4.088 -0.027 41 HA CYS 8 HA CYS 8 2.334 -1.833 -1.571 42 1HB CYS 8 1HB CYS 8 0.085 -2.631 -1.066 43 2HB CYS 8 2HB CYS 8 0.299 -2.240 0.628 44 H ARG 9 H ARG 9 2.130 -2.100 1.947 45 HA ARG 9 HA ARG 9 2.663 0.539 2.606 46 1HB ARG 9 1HB ARG 9 1.922 -0.810 4.366 47 2HB ARG 9 2HB ARG 9 3.138 -2.046 4.055 48 1HG ARG 9 1HG ARG 9 4.812 -0.851 5.069 49 2HG ARG 9 2HG ARG 9 3.986 0.690 4.848 50 1HD ARG 9 1HD ARG 9 3.434 0.485 7.013 51 2HD ARG 9 2HD ARG 9 2.230 -0.669 6.442 52 HE ARG 9 HE ARG 9 4.490 -2.160 6.801 53 1HH1 ARG 9 1HH1 ARG 9 2.587 -0.053 8.850 54 2HH1 ARG 9 2HH1 ARG 9 2.977 -0.910 10.302 55 1HH2 ARG 9 1HH2 ARG 9 5.002 -3.284 8.717 56 2HH2 ARG 9 2HH2 ARG 9 4.348 -2.744 10.227 57 H VAL 10 H VAL 10 4.980 -2.153 2.143 58 HA VAL 10 HA VAL 10 7.293 -0.727 2.832 59 HB VAL 10 HB VAL 10 6.993 -2.989 0.841 60 1HG1 VAL 10 1HG1 VAL 10 9.440 -1.712 2.034 61 2HG1 VAL 10 2HG1 VAL 10 9.062 -1.981 0.332 62 3HG1 VAL 10 3HG1 VAL 10 9.450 -3.348 1.375 63 1HG2 VAL 10 1HG2 VAL 10 7.066 -4.440 2.555 64 2HG2 VAL 10 2HG2 VAL 10 6.532 -3.064 3.520 65 3HG2 VAL 10 3HG2 VAL 10 8.243 -3.481 3.450 66 H LYS 11 H LYS 11 5.574 -1.002 -0.240 67 HA LYS 11 HA LYS 11 7.445 0.463 -1.787 68 1HB LYS 11 1HB LYS 11 4.498 -0.052 -2.184 69 2HB LYS 11 2HB LYS 11 5.526 0.722 -3.382 70 1HG LYS 11 1HG LYS 11 6.678 -1.227 -3.849 71 2HG LYS 11 2HG LYS 11 6.246 -1.972 -2.308 72 1HD LYS 11 1HD LYS 11 4.051 -2.426 -3.020 73 2HD LYS 11 2HD LYS 11 4.182 -1.326 -4.394 74 1HE LYS 11 1HE LYS 11 5.610 -2.796 -5.563 75 2HE LYS 11 2HE LYS 11 5.900 -3.777 -4.128 76 1HZ LYS 11 1HZ LYS 11 4.384 -4.892 -5.608 77 2HZ LYS 11 2HZ LYS 11 3.339 -3.563 -5.616 78 3HZ LYS 11 3HZ LYS 11 3.561 -4.454 -4.196 79 H CYS 12 H CYS 12 4.837 1.346 0.334 80 HA CYS 12 HA CYS 12 4.737 4.086 -0.564 81 1HB CYS 12 1HB CYS 12 3.501 2.716 1.835 82 2HB CYS 12 2HB CYS 12 3.217 4.397 1.397 83 H VAL 13 H VAL 13 6.134 2.294 2.174 84 HA VAL 13 HA VAL 13 7.079 4.514 3.623 85 HB VAL 13 HB VAL 13 8.135 1.687 3.460 86 1HG1 VAL 13 1HG1 VAL 13 9.222 2.296 5.684 87 2HG1 VAL 13 2HG1 VAL 13 8.976 3.978 5.215 88 3HG1 VAL 13 3HG1 VAL 13 9.984 2.925 4.223 89 1HG2 VAL 13 1HG2 VAL 13 5.788 2.330 4.424 90 2HG2 VAL 13 2HG2 VAL 13 6.729 2.861 5.817 91 3HG2 VAL 13 3HG2 VAL 13 6.820 1.183 5.281 92 H ALA 14 H ALA 14 8.415 2.712 0.913 93 HA ALA 14 HA ALA 14 10.950 4.077 0.942 94 1HB ALA 14 1HB ALA 14 11.442 2.833 -1.051 95 2HB ALA 14 2HB ALA 14 9.746 2.392 -1.241 96 3HB ALA 14 3HB ALA 14 10.674 1.759 0.117 97 H MET 15 H MET 15 7.837 4.540 -0.583 98 HA MET 15 HA MET 15 8.911 6.533 -2.427 99 1HB MET 15 1HB MET 15 6.199 5.274 -2.078 100 2HB MET 15 2HB MET 15 6.433 6.684 -3.103 101 1HG MET 15 1HG MET 15 7.936 5.483 -4.523 102 2HG MET 15 2HG MET 15 7.933 4.099 -3.433 103 1HE MET 15 1HE MET 15 7.367 2.544 -5.639 104 2HE MET 15 2HE MET 15 7.415 4.035 -6.580 105 3HE MET 15 3HE MET 15 6.041 2.939 -6.733 106 H GLY 16 H GLY 16 8.508 6.739 0.681 107 1HA GLY 16 1HA GLY 16 8.351 8.625 2.018 108 2HA GLY 16 2HA GLY 16 7.842 9.544 0.613 109 H PHE 17 H PHE 17 6.605 6.935 2.711 110 HA PHE 17 HA PHE 17 4.149 8.456 3.114 111 1HB PHE 17 1HB PHE 17 4.212 5.662 1.966 112 2HB PHE 17 2HB PHE 17 2.770 6.389 2.669 113 HD1 PHE 17 1HD PHE 17 4.947 6.229 -0.207 114 HD2 PHE 17 2HD PHE 17 1.729 8.337 1.591 115 HE1 PHE 17 1HE PHE 17 4.422 7.255 -2.380 116 HE2 PHE 17 2HE PHE 17 1.190 9.371 -0.580 117 HZ PHE 17 HZ PHE 17 2.538 8.830 -2.567 118 H SER 18 H SER 18 2.756 7.412 4.835 119 HA SER 18 HA SER 18 4.518 6.473 6.953 120 1HB SER 18 1HB SER 18 2.603 8.347 7.034 121 2HB SER 18 2HB SER 18 1.647 6.946 7.523 122 HG SER 18 HG SER 18 2.939 8.297 9.156 123 H SER 19 H SER 19 2.696 4.963 4.676 124 HA SER 19 HA SER 19 2.972 2.396 5.527 125 1HB SER 19 1HB SER 19 0.827 3.710 7.009 126 2HB SER 19 2HB SER 19 0.286 2.254 6.176 127 HG SER 19 HG SER 19 1.083 1.381 7.942 128 H GLY 20 H GLY 20 0.880 0.978 4.714 129 1HA GLY 20 1HA GLY 20 -0.473 2.039 2.423 130 2HA GLY 20 2HA GLY 20 0.899 1.047 1.958 131 H LYS 21 H LYS 21 -1.831 0.469 1.336 132 HA LYS 21 HA LYS 21 -2.007 -2.159 2.570 133 1HB LYS 21 1HB LYS 21 -4.346 -1.965 3.104 134 2HB LYS 21 2HB LYS 21 -3.474 -0.687 3.912 135 1HG LYS 21 1HG LYS 21 -4.217 0.926 2.277 136 2HG LYS 21 2HG LYS 21 -4.987 -0.351 1.337 137 1HD LYS 21 1HD LYS 21 -6.206 -0.770 3.675 138 2HD LYS 21 2HD LYS 21 -5.858 0.951 3.854 139 1HE LYS 21 1HE LYS 21 -7.154 1.531 2.007 140 2HE LYS 21 2HE LYS 21 -7.116 -0.104 1.348 141 1HZ LYS 21 1HZ LYS 21 -8.545 0.684 3.831 142 2HZ LYS 21 2HZ LYS 21 -8.574 -0.838 3.095 143 3HZ LYS 21 3HZ LYS 21 -9.276 0.490 2.318 144 H CYS 22 H CYS 22 -4.228 -3.097 1.571 145 HA CYS 22 HA CYS 22 -4.212 -2.577 -1.312 146 1HB CYS 22 1HB CYS 22 -3.569 -5.100 0.104 147 2HB CYS 22 2HB CYS 22 -4.526 -5.224 -1.372 148 H ILE 23 H ILE 23 -6.164 -2.386 -2.138 149 HA ILE 23 HA ILE 23 -8.475 -3.108 -0.504 150 HB ILE 23 HB ILE 23 -8.079 -0.767 -1.478 151 1HG1 ILE 23 1HG1 ILE 23 -10.689 -1.005 -2.385 152 2HG1 ILE 23 2HG1 ILE 23 -10.507 -2.345 -1.259 153 1HG2 ILE 23 1HG2 ILE 23 -7.926 -0.438 -3.654 154 2HG2 ILE 23 2HG2 ILE 23 -9.457 -1.266 -3.939 155 3HG2 ILE 23 3HG2 ILE 23 -7.954 -2.185 -3.885 156 1HD1 ILE 23 1HD1 ILE 23 -11.104 -0.801 0.252 157 2HD1 ILE 23 2HD1 ILE 23 -10.588 0.546 -0.764 158 3HD1 ILE 23 3HD1 ILE 23 -9.399 -0.356 0.176 159 H ASN 24 H ASN 24 -10.138 -3.101 -3.108 160 HA ASN 24 HA ASN 24 -10.579 -5.693 -3.505 161 1HB ASN 24 1HB ASN 24 -11.125 -3.301 -4.949 162 2HB ASN 24 2HB ASN 24 -10.654 -4.540 -6.107 163 1HD2 ASN 24 1HD2 ASN 24 -12.907 -3.746 -3.533 164 2HD2 ASN 24 2HD2 ASN 24 -14.142 -4.852 -4.021 165 H SER 25 H SER 25 -8.109 -3.797 -5.139 166 HA SER 25 HA SER 25 -6.229 -5.835 -5.310 167 1HB SER 25 1HB SER 25 -8.085 -6.468 -7.105 168 2HB SER 25 2HB SER 25 -7.211 -5.287 -8.080 169 HG SER 25 HG SER 25 -6.384 -7.777 -7.119 170 H LYS 26 H LYS 26 -6.416 -3.065 -4.623 171 HA LYS 26 HA LYS 26 -4.309 -2.014 -6.371 172 1HB LYS 26 1HB LYS 26 -6.862 -0.577 -5.659 173 2HB LYS 26 2HB LYS 26 -5.429 0.258 -6.241 174 1HG LYS 26 1HG LYS 26 -5.532 -0.860 -8.340 175 2HG LYS 26 2HG LYS 26 -6.795 -1.947 -7.762 176 1HD LYS 26 1HD LYS 26 -7.901 0.511 -7.300 177 2HD LYS 26 2HD LYS 26 -6.987 0.792 -8.782 178 1HE LYS 26 1HE LYS 26 -8.755 -1.610 -8.518 179 2HE LYS 26 2HE LYS 26 -9.440 -0.040 -8.933 180 1HZ LYS 26 1HZ LYS 26 -7.313 -1.464 -10.441 181 2HZ LYS 26 2HZ LYS 26 -7.935 0.059 -10.834 182 3HZ LYS 26 3HZ LYS 26 -8.931 -1.305 -10.913 183 H CYS 27 H CYS 27 -2.634 -1.370 -5.215 184 HA CYS 27 HA CYS 27 -2.648 -1.204 -2.400 185 1HB CYS 27 1HB CYS 27 -0.663 -1.975 -3.305 186 2HB CYS 27 2HB CYS 27 -0.670 -0.793 -4.592 187 H LYS 28 H LYS 28 -2.799 0.443 -1.132 188 HA LYS 28 HA LYS 28 -2.870 3.173 -2.236 189 1HB LYS 28 1HB LYS 28 -5.114 2.522 -1.583 190 2HB LYS 28 2HB LYS 28 -4.543 2.004 -0.005 191 1HG LYS 28 1HG LYS 28 -4.056 4.255 0.631 192 2HG LYS 28 2HG LYS 28 -4.390 4.838 -1.000 193 1HD LYS 28 1HD LYS 28 -6.717 4.277 -0.783 194 2HD LYS 28 2HD LYS 28 -6.427 3.488 0.768 195 1HE LYS 28 1HE LYS 28 -6.868 5.424 1.764 196 2HE LYS 28 2HE LYS 28 -5.399 6.076 1.039 197 1HZ LYS 28 1HZ LYS 28 -6.697 6.763 -0.882 198 2HZ LYS 28 2HZ LYS 28 -7.316 7.450 0.534 199 3HZ LYS 28 3HZ LYS 28 -8.107 6.138 -0.184 200 H CYS 29 H CYS 29 -1.921 4.801 -0.974 201 HA CYS 29 HA CYS 29 -0.043 3.762 1.023 202 1HB CYS 29 1HB CYS 29 0.010 6.243 -0.683 203 2HB CYS 29 2HB CYS 29 1.101 6.011 0.680 204 H TYR 30 H TYR 30 0.287 4.747 2.980 205 HA TYR 30 HA TYR 30 -2.040 6.152 4.061 206 1HB TYR 30 1HB TYR 30 0.230 4.635 5.349 207 2HB TYR 30 2HB TYR 30 -0.918 5.583 6.278 208 HD1 TYR 30 1HD TYR 30 -2.329 3.924 3.389 209 HD2 TYR 30 2HD TYR 30 -1.303 3.422 7.486 210 HE1 TYR 30 1HE TYR 30 -3.837 1.995 3.525 211 HE2 TYR 30 2HE TYR 30 -2.812 1.488 7.633 212 HH TYR 30 HH TYR 30 -5.130 0.831 5.958 213 H LYS 31 H LYS 31 -1.014 7.996 2.716 214 HA LYS 31 HA LYS 31 1.264 9.362 3.201 215 1HB LYS 31 1HB LYS 31 -1.434 10.717 3.028 216 2HB LYS 31 2HB LYS 31 0.122 11.418 2.610 217 1HG LYS 31 1HG LYS 31 0.093 9.251 0.991 218 2HG LYS 31 2HG LYS 31 -1.626 9.632 1.072 219 1HD LYS 31 1HD LYS 31 0.353 11.814 0.563 220 2HD LYS 31 2HD LYS 31 -0.123 10.741 -0.754 221 1HE LYS 31 1HE LYS 31 -2.276 11.515 -0.794 222 2HE LYS 31 2HE LYS 31 -2.267 11.948 0.914 223 1HZ LYS 31 1HZ LYS 31 -2.294 13.886 -0.577 224 2HZ LYS 31 2HZ LYS 31 -0.792 13.421 -1.201 225 3HZ LYS 31 3HZ LYS 31 -0.931 13.865 0.426 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -3.650 -10.819 -11.326 2 2H ALA 1 2H ALA 1 -4.851 -10.125 -10.315 3 3H ALA 1 3H ALA 1 -4.014 -11.537 -9.813 4 HA ALA 1 HA ALA 1 -1.941 -10.166 -10.000 5 1HB ALA 1 1HB ALA 1 -3.826 -7.865 -9.607 6 2HB ALA 1 2HB ALA 1 -3.260 -8.328 -11.211 7 3HB ALA 1 3HB ALA 1 -2.101 -7.838 -9.976 8 H ALA 2 H ALA 2 -1.129 -10.567 -8.059 9 HA ALA 2 HA ALA 2 -2.883 -10.664 -5.740 10 1HB ALA 2 1HB ALA 2 -1.013 -11.727 -4.602 11 2HB ALA 2 2HB ALA 2 0.035 -11.406 -5.984 12 3HB ALA 2 3HB ALA 2 -1.326 -12.515 -6.148 13 H CYS 3 H CYS 3 -3.014 -9.126 -4.239 14 HA CYS 3 HA CYS 3 -0.903 -7.067 -4.149 15 1HB CYS 3 1HB CYS 3 -3.304 -6.498 -5.073 16 2HB CYS 3 2HB CYS 3 -3.728 -6.449 -3.366 17 H TYR 4 H TYR 4 0.152 -7.011 -2.268 18 HA TYR 4 HA TYR 4 -1.195 -8.067 0.130 19 1HB TYR 4 1HB TYR 4 1.545 -8.295 -0.895 20 2HB TYR 4 2HB TYR 4 1.462 -7.874 0.807 21 HD1 TYR 4 1HD TYR 4 1.363 -9.590 2.344 22 HD2 TYR 4 2HD TYR 4 -0.071 -10.293 -1.599 23 HE1 TYR 4 1HE TYR 4 0.957 -11.946 2.918 24 HE2 TYR 4 2HE TYR 4 -0.481 -12.651 -1.036 25 HH TYR 4 HH TYR 4 -0.715 -13.817 1.947 26 H SER 5 H SER 5 -1.252 -6.900 2.008 27 HA SER 5 HA SER 5 -1.024 -4.061 1.746 28 1HB SER 5 1HB SER 5 -1.710 -5.812 4.113 29 2HB SER 5 2HB SER 5 -1.740 -4.049 4.157 30 HG SER 5 HG SER 5 -3.355 -5.798 2.626 31 H SER 6 H SER 6 0.989 -6.589 3.082 32 HA SER 6 HA SER 6 2.641 -4.830 4.631 33 1HB SER 6 1HB SER 6 2.508 -7.226 5.186 34 2HB SER 6 2HB SER 6 3.197 -7.635 3.617 35 HG SER 6 HG SER 6 4.516 -6.046 5.567 36 H ASP 7 H ASP 7 2.797 -6.259 1.403 37 HA ASP 7 HA ASP 7 5.360 -5.194 0.747 38 1HB ASP 7 1HB ASP 7 3.676 -7.021 -0.416 39 2HB ASP 7 2HB ASP 7 3.470 -5.633 -1.475 40 H CYS 8 H CYS 8 2.024 -4.233 0.104 41 HA CYS 8 HA CYS 8 2.414 -1.953 -1.408 42 1HB CYS 8 1HB CYS 8 0.203 -2.896 -0.875 43 2HB CYS 8 2HB CYS 8 0.379 -2.366 0.786 44 H ARG 9 H ARG 9 2.207 -2.220 2.119 45 HA ARG 9 HA ARG 9 2.661 0.442 2.751 46 1HB ARG 9 1HB ARG 9 1.924 -1.107 4.440 47 2HB ARG 9 2HB ARG 9 3.403 -2.049 4.282 48 1HG ARG 9 1HG ARG 9 4.621 -0.607 5.494 49 2HG ARG 9 2HG ARG 9 3.744 0.800 4.898 50 1HD ARG 9 1HD ARG 9 2.905 0.832 6.995 51 2HD ARG 9 2HD ARG 9 1.807 -0.388 6.351 52 HE ARG 9 HE ARG 9 3.911 -1.846 7.235 53 1HH1 ARG 9 1HH1 ARG 9 1.886 0.586 8.739 54 2HH1 ARG 9 2HH1 ARG 9 2.056 -0.083 10.328 55 1HH2 ARG 9 1HH2 ARG 9 4.130 -2.721 9.328 56 2HH2 ARG 9 2HH2 ARG 9 3.331 -1.962 10.663 57 H VAL 10 H VAL 10 5.035 -2.210 2.343 58 HA VAL 10 HA VAL 10 7.324 -0.757 3.011 59 HB VAL 10 HB VAL 10 7.085 -2.972 0.962 60 1HG1 VAL 10 1HG1 VAL 10 9.565 -3.257 1.918 61 2HG1 VAL 10 2HG1 VAL 10 9.398 -1.509 2.089 62 3HG1 VAL 10 3HG1 VAL 10 9.192 -2.263 0.508 63 1HG2 VAL 10 1HG2 VAL 10 7.038 -4.480 2.619 64 2HG2 VAL 10 2HG2 VAL 10 6.523 -3.133 3.635 65 3HG2 VAL 10 3HG2 VAL 10 8.222 -3.599 3.584 66 H LYS 11 H LYS 11 5.556 -0.973 -0.034 67 HA LYS 11 HA LYS 11 7.430 0.488 -1.586 68 1HB LYS 11 1HB LYS 11 4.461 0.143 -2.028 69 2HB LYS 11 2HB LYS 11 5.621 0.689 -3.229 70 1HG LYS 11 1HG LYS 11 6.468 -1.407 -3.569 71 2HG LYS 11 2HG LYS 11 6.061 -1.957 -1.942 72 1HD LYS 11 1HD LYS 11 4.242 -2.929 -2.780 73 2HD LYS 11 2HD LYS 11 3.623 -1.328 -3.192 74 1HE LYS 11 1HE LYS 11 5.000 -1.509 -5.318 75 2HE LYS 11 2HE LYS 11 5.213 -3.213 -4.916 76 1HZ LYS 11 1HZ LYS 11 3.250 -2.392 -6.431 77 2HZ LYS 11 2HZ LYS 11 2.489 -2.140 -4.941 78 3HZ LYS 11 3HZ LYS 11 3.047 -3.683 -5.354 79 H CYS 12 H CYS 12 4.795 1.382 0.517 80 HA CYS 12 HA CYS 12 4.800 4.141 -0.344 81 1HB CYS 12 1HB CYS 12 3.447 2.857 2.034 82 2HB CYS 12 2HB CYS 12 3.134 4.475 1.415 83 H VAL 13 H VAL 13 6.068 2.227 2.359 84 HA VAL 13 HA VAL 13 6.947 4.376 3.958 85 HB VAL 13 HB VAL 13 8.034 1.568 3.720 86 1HG1 VAL 13 1HG1 VAL 13 9.047 1.949 5.925 87 2HG1 VAL 13 2HG1 VAL 13 8.526 3.632 5.867 88 3HG1 VAL 13 3HG1 VAL 13 9.709 3.037 4.704 89 1HG2 VAL 13 1HG2 VAL 13 5.675 2.678 4.957 90 2HG2 VAL 13 2HG2 VAL 13 6.707 1.887 6.147 91 3HG2 VAL 13 3HG2 VAL 13 6.143 0.993 4.736 92 H ALA 14 H ALA 14 8.353 2.734 1.193 93 HA ALA 14 HA ALA 14 10.891 4.121 1.441 94 1HB ALA 14 1HB ALA 14 11.107 1.921 0.670 95 2HB ALA 14 2HB ALA 14 11.347 2.935 -0.752 96 3HB ALA 14 3HB ALA 14 9.806 2.119 -0.503 97 H MET 15 H MET 15 7.872 4.527 -0.264 98 HA MET 15 HA MET 15 9.058 6.435 -2.131 99 1HB MET 15 1HB MET 15 6.314 5.217 -1.885 100 2HB MET 15 2HB MET 15 6.624 6.587 -2.946 101 1HG MET 15 1HG MET 15 8.344 5.253 -4.107 102 2HG MET 15 2HG MET 15 7.919 3.876 -3.093 103 1HE MET 15 1HE MET 15 7.812 4.639 -6.475 104 2HE MET 15 2HE MET 15 6.972 6.138 -6.076 105 3HE MET 15 3HE MET 15 6.156 4.897 -7.027 106 H GLY 16 H GLY 16 8.529 6.776 0.934 107 1HA GLY 16 1HA GLY 16 8.309 8.707 2.191 108 2HA GLY 16 2HA GLY 16 7.903 9.579 0.724 109 H PHE 17 H PHE 17 6.500 7.096 2.865 110 HA PHE 17 HA PHE 17 4.046 8.671 3.047 111 1HB PHE 17 1HB PHE 17 4.113 5.796 2.099 112 2HB PHE 17 2HB PHE 17 2.651 6.620 2.637 113 HD1 PHE 17 1HD PHE 17 1.659 8.370 1.303 114 HD2 PHE 17 2HD PHE 17 5.105 6.281 -0.029 115 HE1 PHE 17 1HE PHE 17 1.280 9.215 -0.979 116 HE2 PHE 17 2HE PHE 17 4.743 7.121 -2.314 117 HZ PHE 17 HZ PHE 17 2.826 8.590 -2.791 118 H SER 18 H SER 18 2.497 7.498 4.677 119 HA SER 18 HA SER 18 4.175 6.664 6.927 120 1HB SER 18 1HB SER 18 1.372 7.792 6.919 121 2HB SER 18 2HB SER 18 2.259 7.311 8.365 122 HG SER 18 HG SER 18 2.633 9.506 6.689 123 H SER 19 H SER 19 2.284 5.236 4.642 124 HA SER 19 HA SER 19 2.371 2.688 5.708 125 1HB SER 19 1HB SER 19 0.154 4.240 6.774 126 2HB SER 19 2HB SER 19 -0.421 2.813 5.906 127 HG SER 19 HG SER 19 0.032 1.893 7.761 128 H GLY 20 H GLY 20 0.679 1.180 4.603 129 1HA GLY 20 1HA GLY 20 -0.551 2.053 2.191 130 2HA GLY 20 2HA GLY 20 1.003 1.300 1.859 131 H LYS 21 H LYS 21 -1.866 0.475 1.310 132 HA LYS 21 HA LYS 21 -1.482 -2.281 2.085 133 1HB LYS 21 1HB LYS 21 -3.664 -2.581 3.061 134 2HB LYS 21 2HB LYS 21 -2.784 -1.362 3.944 135 1HG LYS 21 1HG LYS 21 -4.044 0.361 2.609 136 2HG LYS 21 2HG LYS 21 -5.048 -0.965 2.023 137 1HD LYS 21 1HD LYS 21 -4.935 -1.274 4.805 138 2HD LYS 21 2HD LYS 21 -5.166 0.452 4.530 139 1HE LYS 21 1HE LYS 21 -7.342 -0.282 4.563 140 2HE LYS 21 2HE LYS 21 -6.986 -0.359 2.839 141 1HZ LYS 21 1HZ LYS 21 -6.835 -2.656 4.717 142 2HZ LYS 21 2HZ LYS 21 -6.562 -2.717 3.048 143 3HZ LYS 21 3HZ LYS 21 -8.106 -2.358 3.640 144 H CYS 22 H CYS 22 -3.561 -3.492 1.318 145 HA CYS 22 HA CYS 22 -4.154 -2.578 -1.413 146 1HB CYS 22 1HB CYS 22 -3.456 -5.331 -0.413 147 2HB CYS 22 2HB CYS 22 -4.241 -5.070 -1.970 148 H ILE 23 H ILE 23 -6.215 -2.476 -1.970 149 HA ILE 23 HA ILE 23 -8.230 -3.421 -0.088 150 HB ILE 23 HB ILE 23 -8.157 -1.039 -0.920 151 1HG1 ILE 23 1HG1 ILE 23 -10.775 -1.347 -1.690 152 2HG1 ILE 23 2HG1 ILE 23 -10.465 -2.828 -0.788 153 1HG2 ILE 23 1HG2 ILE 23 -8.155 -0.524 -3.066 154 2HG2 ILE 23 2HG2 ILE 23 -9.610 -1.476 -3.356 155 3HG2 ILE 23 3HG2 ILE 23 -8.025 -2.243 -3.431 156 1HD1 ILE 23 1HD1 ILE 23 -10.877 -0.146 0.168 157 2HD1 ILE 23 2HD1 ILE 23 -9.361 -0.820 0.771 158 3HD1 ILE 23 3HD1 ILE 23 -10.879 -1.673 1.050 159 H ASN 24 H ASN 24 -10.095 -3.316 -2.699 160 HA ASN 24 HA ASN 24 -10.589 -5.909 -3.044 161 1HB ASN 24 1HB ASN 24 -11.124 -3.541 -4.556 162 2HB ASN 24 2HB ASN 24 -10.713 -4.837 -5.671 163 1HD2 ASN 24 1HD2 ASN 24 -12.932 -3.767 -3.209 164 2HD2 ASN 24 2HD2 ASN 24 -14.184 -4.903 -3.566 165 H SER 25 H SER 25 -8.186 -4.074 -4.868 166 HA SER 25 HA SER 25 -6.298 -6.114 -4.955 167 1HB SER 25 1HB SER 25 -8.277 -6.157 -7.136 168 2HB SER 25 2HB SER 25 -6.602 -6.165 -7.685 169 HG SER 25 HG SER 25 -6.277 -8.078 -6.733 170 H LYS 26 H LYS 26 -6.436 -3.332 -4.405 171 HA LYS 26 HA LYS 26 -4.391 -2.384 -6.272 172 1HB LYS 26 1HB LYS 26 -7.002 -1.030 -5.697 173 2HB LYS 26 2HB LYS 26 -5.580 -0.070 -6.081 174 1HG LYS 26 1HG LYS 26 -5.455 -1.787 -8.106 175 2HG LYS 26 2HG LYS 26 -7.193 -1.853 -7.809 176 1HD LYS 26 1HD LYS 26 -7.416 0.498 -8.136 177 2HD LYS 26 2HD LYS 26 -5.667 0.724 -8.151 178 1HE LYS 26 1HE LYS 26 -7.100 -0.971 -10.183 179 2HE LYS 26 2HE LYS 26 -6.850 0.760 -10.402 180 1HZ LYS 26 1HZ LYS 26 -4.487 0.435 -10.320 181 2HZ LYS 26 2HZ LYS 26 -5.131 -0.617 -11.476 182 3HZ LYS 26 3HZ LYS 26 -4.667 -1.209 -9.963 183 H CYS 27 H CYS 27 -2.679 -1.812 -5.140 184 HA CYS 27 HA CYS 27 -2.692 -1.386 -2.351 185 1HB CYS 27 1HB CYS 27 -0.749 -2.350 -3.163 186 2HB CYS 27 2HB CYS 27 -0.669 -1.280 -4.542 187 H LYS 28 H LYS 28 -2.788 0.386 -1.254 188 HA LYS 28 HA LYS 28 -2.701 2.976 -2.637 189 1HB LYS 28 1HB LYS 28 -4.232 3.655 -0.641 190 2HB LYS 28 2HB LYS 28 -4.929 2.868 -2.044 191 1HG LYS 28 1HG LYS 28 -4.062 1.009 0.037 192 2HG LYS 28 2HG LYS 28 -5.302 2.145 0.566 193 1HD LYS 28 1HD LYS 28 -5.801 0.976 -2.075 194 2HD LYS 28 2HD LYS 28 -5.780 -0.200 -0.759 195 1HE LYS 28 1HE LYS 28 -8.024 0.853 -1.322 196 2HE LYS 28 2HE LYS 28 -7.539 0.872 0.372 197 1HZ LYS 28 1HZ LYS 28 -6.888 3.189 -1.313 198 2HZ LYS 28 2HZ LYS 28 -7.215 3.124 0.346 199 3HZ LYS 28 3HZ LYS 28 -8.480 3.003 -0.767 200 H CYS 29 H CYS 29 -1.815 4.739 -1.455 201 HA CYS 29 HA CYS 29 -0.051 3.861 0.729 202 1HB CYS 29 1HB CYS 29 0.284 6.029 -1.340 203 2HB CYS 29 2HB CYS 29 1.238 5.994 0.140 204 H TYR 30 H TYR 30 0.104 5.015 2.589 205 HA TYR 30 HA TYR 30 -2.021 6.988 3.027 206 1HB TYR 30 1HB TYR 30 -0.786 5.015 4.949 207 2HB TYR 30 2HB TYR 30 -1.952 6.262 5.401 208 HD1 TYR 30 1HD TYR 30 -4.077 6.308 3.790 209 HD2 TYR 30 2HD TYR 30 -1.644 2.913 4.546 210 HE1 TYR 30 1HE TYR 30 -5.935 4.841 3.125 211 HE2 TYR 30 2HE TYR 30 -3.482 1.434 3.903 212 HH TYR 30 HH TYR 30 -5.632 1.749 2.310 213 H LYS 31 H LYS 31 -0.551 8.531 2.226 214 HA LYS 31 HA LYS 31 1.908 9.307 3.057 215 1HB LYS 31 1HB LYS 31 -0.307 10.596 1.809 216 2HB LYS 31 2HB LYS 31 0.331 11.684 3.032 217 1HG LYS 31 1HG LYS 31 2.591 11.377 2.034 218 2HG LYS 31 2HG LYS 31 1.829 10.457 0.738 219 1HD LYS 31 1HD LYS 31 1.775 12.490 -0.266 220 2HD LYS 31 2HD LYS 31 0.287 12.645 0.670 221 1HE LYS 31 1HE LYS 31 1.507 13.812 2.434 222 2HE LYS 31 2HE LYS 31 3.010 13.622 1.536 223 1HZ LYS 31 1HZ LYS 31 0.645 15.123 0.538 224 2HZ LYS 31 2HZ LYS 31 2.170 15.037 -0.188 225 3HZ LYS 31 3HZ LYS 31 1.983 15.838 1.289 Start of MODEL 3 1 1H ALA 1 1H ALA 1 2.391 -12.506 -7.256 2 2H ALA 1 2H ALA 1 0.803 -13.058 -6.916 3 3H ALA 1 3H ALA 1 1.483 -11.773 -6.001 4 HA ALA 1 HA ALA 1 1.691 -10.568 -8.175 5 1HB ALA 1 1HB ALA 1 -0.026 -11.222 -9.840 6 2HB ALA 1 2HB ALA 1 -0.288 -12.712 -8.934 7 3HB ALA 1 3HB ALA 1 1.281 -12.393 -9.676 8 H ALA 2 H ALA 2 -0.821 -11.971 -6.154 9 HA ALA 2 HA ALA 2 -2.828 -10.057 -6.544 10 1HB ALA 2 1HB ALA 2 -2.579 -11.178 -3.827 11 2HB ALA 2 2HB ALA 2 -2.683 -12.349 -5.144 12 3HB ALA 2 3HB ALA 2 -3.958 -11.151 -4.927 13 H CYS 3 H CYS 3 -3.586 -8.496 -4.847 14 HA CYS 3 HA CYS 3 -1.412 -6.693 -4.226 15 1HB CYS 3 1HB CYS 3 -3.799 -6.135 -5.161 16 2HB CYS 3 2HB CYS 3 -4.265 -6.173 -3.464 17 H TYR 4 H TYR 4 -0.331 -6.813 -2.383 18 HA TYR 4 HA TYR 4 -1.711 -7.816 0.020 19 1HB TYR 4 1HB TYR 4 0.946 -8.300 -1.085 20 2HB TYR 4 2HB TYR 4 0.997 -7.821 0.601 21 HD1 TYR 4 1HD TYR 4 -0.933 -10.146 -1.610 22 HD2 TYR 4 2HD TYR 4 0.879 -9.484 2.181 23 HE1 TYR 4 1HE TYR 4 -1.512 -12.439 -0.940 24 HE2 TYR 4 2HE TYR 4 0.306 -11.775 2.863 25 HH TYR 4 HH TYR 4 -1.581 -13.503 2.114 26 H SER 5 H SER 5 -1.569 -6.706 1.946 27 HA SER 5 HA SER 5 -1.203 -3.882 1.741 28 1HB SER 5 1HB SER 5 -2.920 -4.959 3.207 29 2HB SER 5 2HB SER 5 -1.617 -5.533 4.245 30 HG SER 5 HG SER 5 -1.154 -3.455 4.815 31 H SER 6 H SER 6 0.759 -6.541 2.912 32 HA SER 6 HA SER 6 2.604 -4.902 4.362 33 1HB SER 6 1HB SER 6 2.465 -7.764 3.556 34 2HB SER 6 2HB SER 6 4.072 -7.112 3.869 35 HG SER 6 HG SER 6 1.871 -6.945 5.659 36 H ASP 7 H ASP 7 2.488 -6.228 1.086 37 HA ASP 7 HA ASP 7 5.080 -5.280 0.341 38 1HB ASP 7 1HB ASP 7 3.285 -7.001 -0.804 39 2HB ASP 7 2HB ASP 7 3.065 -5.571 -1.799 40 H CYS 8 H CYS 8 1.769 -4.162 -0.135 41 HA CYS 8 HA CYS 8 2.163 -1.855 -1.595 42 1HB CYS 8 1HB CYS 8 -0.057 -2.696 -0.965 43 2HB CYS 8 2HB CYS 8 0.247 -2.276 0.708 44 H ARG 9 H ARG 9 2.145 -2.218 1.923 45 HA ARG 9 HA ARG 9 2.758 0.382 2.631 46 1HB ARG 9 1HB ARG 9 2.082 -1.232 4.289 47 2HB ARG 9 2HB ARG 9 3.517 -2.207 3.987 48 1HG ARG 9 1HG ARG 9 4.703 0.079 4.584 49 2HG ARG 9 2HG ARG 9 3.211 0.310 5.492 50 1HD ARG 9 1HD ARG 9 3.779 -2.192 6.242 51 2HD ARG 9 2HD ARG 9 5.416 -1.624 5.910 52 HE ARG 9 HE ARG 9 3.888 0.166 7.562 53 1HH1 ARG 9 1HH1 ARG 9 5.952 -2.665 7.576 54 2HH1 ARG 9 2HH1 ARG 9 6.453 -2.444 9.217 55 1HH2 ARG 9 1HH2 ARG 9 4.550 0.453 9.722 56 2HH2 ARG 9 2HH2 ARG 9 5.655 -0.673 10.439 57 H VAL 10 H VAL 10 5.006 -2.323 1.973 58 HA VAL 10 HA VAL 10 7.391 -1.008 2.529 59 HB VAL 10 HB VAL 10 6.886 -3.066 0.370 60 1HG1 VAL 10 1HG1 VAL 10 9.421 -1.930 1.497 61 2HG1 VAL 10 2HG1 VAL 10 8.956 -2.152 -0.190 62 3HG1 VAL 10 3HG1 VAL 10 9.377 -3.549 0.802 63 1HG2 VAL 10 1HG2 VAL 10 8.240 -3.842 2.865 64 2HG2 VAL 10 2HG2 VAL 10 7.025 -4.697 1.916 65 3HG2 VAL 10 3HG2 VAL 10 6.535 -3.420 3.028 66 H LYS 11 H LYS 11 5.510 -1.065 -0.478 67 HA LYS 11 HA LYS 11 7.310 0.506 -1.998 68 1HB LYS 11 1HB LYS 11 4.408 -0.201 -2.268 69 2HB LYS 11 2HB LYS 11 5.122 0.999 -3.335 70 1HG LYS 11 1HG LYS 11 5.227 -1.018 -4.515 71 2HG LYS 11 2HG LYS 11 6.862 -0.759 -3.907 72 1HD LYS 11 1HD LYS 11 6.260 -2.240 -1.966 73 2HD LYS 11 2HD LYS 11 4.766 -2.629 -2.818 74 1HE LYS 11 1HE LYS 11 5.854 -4.211 -3.928 75 2HE LYS 11 2HE LYS 11 6.849 -2.963 -4.675 76 1HZ LYS 11 1HZ LYS 11 8.539 -3.284 -3.164 77 2HZ LYS 11 2HZ LYS 11 7.965 -4.863 -3.357 78 3HZ LYS 11 3HZ LYS 11 7.529 -3.969 -1.991 79 H CYS 12 H CYS 12 4.753 1.260 0.243 80 HA CYS 12 HA CYS 12 4.656 4.053 -0.435 81 1HB CYS 12 1HB CYS 12 3.560 2.568 1.964 82 2HB CYS 12 2HB CYS 12 3.228 4.253 1.580 83 H VAL 13 H VAL 13 6.262 2.059 2.022 84 HA VAL 13 HA VAL 13 7.250 4.159 3.621 85 HB VAL 13 HB VAL 13 8.403 1.414 3.113 86 1HG1 VAL 13 1HG1 VAL 13 9.533 1.788 5.332 87 2HG1 VAL 13 2HG1 VAL 13 9.089 3.488 5.187 88 3HG1 VAL 13 3HG1 VAL 13 10.159 2.753 3.996 89 1HG2 VAL 13 1HG2 VAL 13 6.561 0.775 4.210 90 2HG2 VAL 13 2HG2 VAL 13 6.204 2.411 4.761 91 3HG2 VAL 13 3HG2 VAL 13 7.364 1.415 5.643 92 H ALA 14 H ALA 14 8.410 2.677 0.655 93 HA ALA 14 HA ALA 14 10.899 4.173 0.677 94 1HB ALA 14 1HB ALA 14 9.867 2.573 -1.630 95 2HB ALA 14 2HB ALA 14 10.575 1.795 -0.214 96 3HB ALA 14 3HB ALA 14 11.534 2.919 -1.177 97 H MET 15 H MET 15 7.690 4.528 -0.618 98 HA MET 15 HA MET 15 8.558 6.531 -2.560 99 1HB MET 15 1HB MET 15 5.882 5.266 -1.970 100 2HB MET 15 2HB MET 15 6.056 6.630 -3.065 101 1HG MET 15 1HG MET 15 7.837 4.343 -3.572 102 2HG MET 15 2HG MET 15 6.119 4.059 -3.836 103 1HE MET 15 1HE MET 15 9.292 5.307 -4.837 104 2HE MET 15 2HE MET 15 9.103 6.269 -6.304 105 3HE MET 15 3HE MET 15 8.862 4.523 -6.356 106 H GLY 16 H GLY 16 8.438 6.743 0.564 107 1HA GLY 16 1HA GLY 16 8.314 8.595 1.941 108 2HA GLY 16 2HA GLY 16 7.750 9.531 0.566 109 H PHE 17 H PHE 17 6.585 6.909 2.691 110 HA PHE 17 HA PHE 17 4.153 8.443 3.195 111 1HB PHE 17 1HB PHE 17 4.150 5.642 2.056 112 2HB PHE 17 2HB PHE 17 2.742 6.400 2.790 113 HD1 PHE 17 1HD PHE 17 4.856 6.196 -0.136 114 HD2 PHE 17 2HD PHE 17 1.671 8.317 1.710 115 HE1 PHE 17 1HE PHE 17 4.269 7.193 -2.310 116 HE2 PHE 17 2HE PHE 17 1.075 9.321 -0.458 117 HZ PHE 17 HZ PHE 17 2.375 8.760 -2.472 118 H SER 18 H SER 18 2.764 7.229 4.889 119 HA SER 18 HA SER 18 4.613 6.316 6.958 120 1HB SER 18 1HB SER 18 2.037 7.747 6.970 121 2HB SER 18 2HB SER 18 2.243 6.570 8.265 122 HG SER 18 HG SER 18 4.161 7.632 8.848 123 H SER 19 H SER 19 2.744 4.857 4.701 124 HA SER 19 HA SER 19 3.039 2.278 5.438 125 1HB SER 19 1HB SER 19 1.033 3.501 7.140 126 2HB SER 19 2HB SER 19 0.373 2.137 6.234 127 HG SER 19 HG SER 19 1.264 1.099 7.868 128 H GLY 20 H GLY 20 0.940 0.858 4.661 129 1HA GLY 20 1HA GLY 20 -0.546 2.020 2.505 130 2HA GLY 20 2HA GLY 20 0.820 1.084 1.920 131 H LYS 21 H LYS 21 -1.927 0.506 1.396 132 HA LYS 21 HA LYS 21 -1.985 -2.210 2.399 133 1HB LYS 21 1HB LYS 21 -4.300 -2.127 3.093 134 2HB LYS 21 2HB LYS 21 -3.365 -0.964 4.000 135 1HG LYS 21 1HG LYS 21 -4.179 0.788 2.374 136 2HG LYS 21 2HG LYS 21 -5.292 -0.437 1.763 137 1HD LYS 21 1HD LYS 21 -5.649 -0.551 4.501 138 2HD LYS 21 2HD LYS 21 -5.427 1.170 4.187 139 1HE LYS 21 1HE LYS 21 -7.753 0.733 4.033 140 2HE LYS 21 2HE LYS 21 -7.165 0.966 2.387 141 1HZ LYS 21 1HZ LYS 21 -7.350 -1.283 1.918 142 2HZ LYS 21 2HZ LYS 21 -8.725 -0.990 2.859 143 3HZ LYS 21 3HZ LYS 21 -7.375 -1.741 3.548 144 H CYS 22 H CYS 22 -4.113 -3.207 1.462 145 HA CYS 22 HA CYS 22 -4.382 -2.368 -1.341 146 1HB CYS 22 1HB CYS 22 -3.673 -5.056 -0.244 147 2HB CYS 22 2HB CYS 22 -4.577 -4.947 -1.754 148 H ILE 23 H ILE 23 -6.406 -2.148 -1.985 149 HA ILE 23 HA ILE 23 -8.535 -3.135 -0.251 150 HB ILE 23 HB ILE 23 -8.329 -0.691 -0.911 151 1HG1 ILE 23 1HG1 ILE 23 -10.956 -0.857 -1.700 152 2HG1 ILE 23 2HG1 ILE 23 -10.699 -2.401 -0.894 153 1HG2 ILE 23 1HG2 ILE 23 -8.200 -1.701 -3.489 154 2HG2 ILE 23 2HG2 ILE 23 -8.354 -0.011 -3.012 155 3HG2 ILE 23 3HG2 ILE 23 -9.795 -0.957 -3.378 156 1HD1 ILE 23 1HD1 ILE 23 -10.989 0.243 0.226 157 2HD1 ILE 23 2HD1 ILE 23 -9.534 -0.568 0.807 158 3HD1 ILE 23 3HD1 ILE 23 -11.110 -1.336 1.003 159 H ASN 24 H ASN 24 -10.334 -2.785 -2.839 160 HA ASN 24 HA ASN 24 -10.883 -5.317 -3.419 161 1HB ASN 24 1HB ASN 24 -11.363 -2.804 -4.688 162 2HB ASN 24 2HB ASN 24 -11.005 -4.002 -5.930 163 1HD2 ASN 24 1HD2 ASN 24 -12.881 -3.744 -2.920 164 2HD2 ASN 24 2HD2 ASN 24 -14.276 -4.564 -3.525 165 H SER 25 H SER 25 -8.383 -3.416 -5.023 166 HA SER 25 HA SER 25 -6.624 -5.537 -5.355 167 1HB SER 25 1HB SER 25 -8.632 -5.864 -7.142 168 2HB SER 25 2HB SER 25 -7.530 -4.866 -8.090 169 HG SER 25 HG SER 25 -6.912 -7.327 -6.812 170 H LYS 26 H LYS 26 -6.663 -2.740 -4.607 171 HA LYS 26 HA LYS 26 -4.472 -1.859 -6.320 172 1HB LYS 26 1HB LYS 26 -5.343 0.326 -6.677 173 2HB LYS 26 2HB LYS 26 -6.600 -0.815 -7.127 174 1HG LYS 26 1HG LYS 26 -7.076 -0.245 -4.443 175 2HG LYS 26 2HG LYS 26 -6.653 1.302 -5.179 176 1HD LYS 26 1HD LYS 26 -8.725 -0.604 -6.269 177 2HD LYS 26 2HD LYS 26 -9.088 0.781 -5.239 178 1HE LYS 26 1HE LYS 26 -9.352 1.861 -7.195 179 2HE LYS 26 2HE LYS 26 -7.594 1.968 -7.157 180 1HZ LYS 26 1HZ LYS 26 -8.697 -0.454 -8.336 181 2HZ LYS 26 2HZ LYS 26 -7.383 0.488 -8.826 182 3HZ LYS 26 3HZ LYS 26 -8.955 0.974 -9.208 183 H CYS 27 H CYS 27 -2.799 -1.231 -5.181 184 HA CYS 27 HA CYS 27 -2.826 -1.114 -2.363 185 1HB CYS 27 1HB CYS 27 -0.865 -1.949 -3.273 186 2HB CYS 27 2HB CYS 27 -0.813 -0.744 -4.537 187 H LYS 28 H LYS 28 -2.909 0.512 -1.073 188 HA LYS 28 HA LYS 28 -2.902 3.259 -2.131 189 1HB LYS 28 1HB LYS 28 -5.163 2.672 -1.500 190 2HB LYS 28 2HB LYS 28 -4.614 2.068 0.055 191 1HG LYS 28 1HG LYS 28 -3.823 4.431 0.524 192 2HG LYS 28 2HG LYS 28 -4.760 4.909 -0.892 193 1HD LYS 28 1HD LYS 28 -6.242 3.198 0.953 194 2HD LYS 28 2HD LYS 28 -5.709 4.712 1.688 195 1HE LYS 28 1HE LYS 28 -6.789 5.988 -0.049 196 2HE LYS 28 2HE LYS 28 -7.205 4.516 -0.924 197 1HZ LYS 28 1HZ LYS 28 -8.882 5.745 0.712 198 2HZ LYS 28 2HZ LYS 28 -8.155 4.699 1.824 199 3HZ LYS 28 3HZ LYS 28 -8.923 4.076 0.450 200 H CYS 29 H CYS 29 -1.923 4.836 -0.827 201 HA CYS 29 HA CYS 29 -0.102 3.709 1.175 202 1HB CYS 29 1HB CYS 29 0.090 6.167 -0.551 203 2HB CYS 29 2HB CYS 29 1.161 5.887 0.818 204 H TYR 30 H TYR 30 0.276 4.733 3.120 205 HA TYR 30 HA TYR 30 -2.025 6.190 4.172 206 1HB TYR 30 1HB TYR 30 0.315 4.836 5.529 207 2HB TYR 30 2HB TYR 30 -0.935 5.719 6.390 208 HD1 TYR 30 1HD TYR 30 -1.103 3.520 7.632 209 HD2 TYR 30 2HD TYR 30 -2.202 3.913 3.542 210 HE1 TYR 30 1HE TYR 30 -2.448 1.472 7.802 211 HE2 TYR 30 2HE TYR 30 -3.545 1.867 3.700 212 HH TYR 30 HH TYR 30 -4.617 0.569 6.378 213 H LYS 31 H LYS 31 -0.976 7.958 2.676 214 HA LYS 31 HA LYS 31 1.308 9.352 3.491 215 1HB LYS 31 1HB LYS 31 0.202 11.333 2.306 216 2HB LYS 31 2HB LYS 31 0.502 9.890 1.349 217 1HG LYS 31 1HG LYS 31 -1.784 9.284 1.374 218 2HG LYS 31 2HG LYS 31 -2.155 10.470 2.624 219 1HD LYS 31 1HD LYS 31 -1.847 12.282 1.132 220 2HD LYS 31 2HD LYS 31 -1.098 11.245 -0.083 221 1HE LYS 31 1HE LYS 31 -3.878 10.640 0.799 222 2HE LYS 31 2HE LYS 31 -3.615 12.004 -0.287 223 1HZ LYS 31 1HZ LYS 31 -3.126 9.138 -0.766 224 2HZ LYS 31 2HZ LYS 31 -2.273 10.300 -1.651 225 3HZ LYS 31 3HZ LYS 31 -3.962 10.251 -1.728 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -3.029 -9.112 -9.873 2 2H ALA 1 2H ALA 1 -1.808 -9.539 -11.002 3 3H ALA 1 3H ALA 1 -1.559 -8.230 -9.919 4 HA ALA 1 HA ALA 1 -1.623 -11.109 -9.382 5 1HB ALA 1 1HB ALA 1 0.567 -10.598 -9.706 6 2HB ALA 1 2HB ALA 1 0.450 -10.163 -8.002 7 3HB ALA 1 3HB ALA 1 0.359 -8.910 -9.239 8 H ALA 2 H ALA 2 -0.983 -11.449 -6.946 9 HA ALA 2 HA ALA 2 -3.218 -10.601 -5.408 10 1HB ALA 2 1HB ALA 2 -2.602 -12.188 -3.923 11 2HB ALA 2 2HB ALA 2 -0.898 -11.738 -3.978 12 3HB ALA 2 3HB ALA 2 -1.590 -12.733 -5.260 13 H CYS 3 H CYS 3 -3.475 -8.724 -4.426 14 HA CYS 3 HA CYS 3 -1.214 -6.972 -3.960 15 1HB CYS 3 1HB CYS 3 -3.583 -6.323 -4.839 16 2HB CYS 3 2HB CYS 3 -4.035 -6.346 -3.140 17 H TYR 4 H TYR 4 -0.092 -6.988 -2.127 18 HA TYR 4 HA TYR 4 -1.395 -7.976 0.323 19 1HB TYR 4 1HB TYR 4 1.285 -8.339 -0.807 20 2HB TYR 4 2HB TYR 4 1.296 -7.895 0.892 21 HD1 TYR 4 1HD TYR 4 -0.531 -10.245 -1.380 22 HD2 TYR 4 2HD TYR 4 1.258 -9.604 2.426 23 HE1 TYR 4 1HE TYR 4 -1.032 -12.572 -0.759 24 HE2 TYR 4 2HE TYR 4 0.767 -11.928 3.057 25 HH TYR 4 HH TYR 4 0.350 -14.117 1.869 26 H SER 5 H SER 5 -1.428 -6.767 2.155 27 HA SER 5 HA SER 5 -1.091 -3.958 1.914 28 1HB SER 5 1HB SER 5 -1.469 -4.104 4.498 29 2HB SER 5 2HB SER 5 -2.786 -4.535 3.408 30 HG SER 5 HG SER 5 -2.372 -6.065 5.137 31 H SER 6 H SER 6 0.930 -6.536 3.152 32 HA SER 6 HA SER 6 2.735 -4.827 4.570 33 1HB SER 6 1HB SER 6 2.336 -7.515 4.589 34 2HB SER 6 2HB SER 6 3.766 -7.417 3.562 35 HG SER 6 HG SER 6 4.914 -6.608 5.204 36 H ASP 7 H ASP 7 2.645 -6.241 1.332 37 HA ASP 7 HA ASP 7 5.213 -5.273 0.539 38 1HB ASP 7 1HB ASP 7 3.399 -7.038 -0.530 39 2HB ASP 7 2HB ASP 7 3.203 -5.646 -1.583 40 H CYS 8 H CYS 8 1.884 -4.197 0.103 41 HA CYS 8 HA CYS 8 2.255 -1.932 -1.444 42 1HB CYS 8 1HB CYS 8 0.046 -2.796 -0.796 43 2HB CYS 8 2HB CYS 8 0.337 -2.311 0.863 44 H ARG 9 H ARG 9 2.233 -2.214 2.081 45 HA ARG 9 HA ARG 9 2.813 0.412 2.724 46 1HB ARG 9 1HB ARG 9 2.125 -1.166 4.416 47 2HB ARG 9 2HB ARG 9 3.577 -2.131 4.161 48 1HG ARG 9 1HG ARG 9 4.742 0.166 4.721 49 2HG ARG 9 2HG ARG 9 3.226 0.435 5.580 50 1HD ARG 9 1HD ARG 9 4.665 -0.535 7.173 51 2HD ARG 9 2HD ARG 9 3.603 -1.843 6.648 52 HE ARG 9 HE ARG 9 6.073 -1.692 5.177 53 1HH1 ARG 9 1HH1 ARG 9 4.521 -2.980 8.039 54 2HH1 ARG 9 2HH1 ARG 9 5.645 -4.285 8.212 55 1HH2 ARG 9 1HH2 ARG 9 7.553 -3.414 5.411 56 2HH2 ARG 9 2HH2 ARG 9 7.368 -4.531 6.720 57 H VAL 10 H VAL 10 5.089 -2.301 2.175 58 HA VAL 10 HA VAL 10 7.457 -0.942 2.710 59 HB VAL 10 HB VAL 10 7.000 -3.081 0.616 60 1HG1 VAL 10 1HG1 VAL 10 9.579 -2.206 1.919 61 2HG1 VAL 10 2HG1 VAL 10 9.099 -1.855 0.259 62 3HG1 VAL 10 3HG1 VAL 10 9.389 -3.521 0.760 63 1HG2 VAL 10 1HG2 VAL 10 7.102 -4.648 2.224 64 2HG2 VAL 10 2HG2 VAL 10 6.621 -3.332 3.293 65 3HG2 VAL 10 3HG2 VAL 10 8.321 -3.773 3.147 66 H LYS 11 H LYS 11 5.586 -1.109 -0.301 67 HA LYS 11 HA LYS 11 7.385 0.429 -1.857 68 1HB LYS 11 1HB LYS 11 4.463 -0.224 -2.136 69 2HB LYS 11 2HB LYS 11 5.284 0.825 -3.282 70 1HG LYS 11 1HG LYS 11 6.965 -1.293 -3.253 71 2HG LYS 11 2HG LYS 11 5.417 -2.087 -2.950 72 1HD LYS 11 1HD LYS 11 4.617 -0.555 -4.936 73 2HD LYS 11 2HD LYS 11 6.336 -0.556 -5.338 74 1HE LYS 11 1HE LYS 11 5.352 -2.339 -6.551 75 2HE LYS 11 2HE LYS 11 6.255 -3.066 -5.225 76 1HZ LYS 11 1HZ LYS 11 4.340 -4.190 -4.945 77 2HZ LYS 11 2HZ LYS 11 3.390 -3.015 -5.708 78 3HZ LYS 11 3HZ LYS 11 3.860 -2.805 -4.097 79 H CYS 12 H CYS 12 4.803 1.231 0.343 80 HA CYS 12 HA CYS 12 4.682 4.002 -0.423 81 1HB CYS 12 1HB CYS 12 3.582 2.556 1.997 82 2HB CYS 12 2HB CYS 12 3.265 4.243 1.615 83 H VAL 13 H VAL 13 6.316 2.092 2.068 84 HA VAL 13 HA VAL 13 7.284 4.269 3.599 85 HB VAL 13 HB VAL 13 8.402 1.482 3.262 86 1HG1 VAL 13 1HG1 VAL 13 9.269 3.784 4.912 87 2HG1 VAL 13 2HG1 VAL 13 10.211 2.460 4.226 88 3HG1 VAL 13 3HG1 VAL 13 9.263 2.201 5.690 89 1HG2 VAL 13 1HG2 VAL 13 7.067 0.782 4.983 90 2HG2 VAL 13 2HG2 VAL 13 6.014 1.995 4.254 91 3HG2 VAL 13 3HG2 VAL 13 6.949 2.392 5.696 92 H ALA 14 H ALA 14 8.405 2.674 0.688 93 HA ALA 14 HA ALA 14 10.965 4.027 0.683 94 1HB ALA 14 1HB ALA 14 10.225 1.671 -0.319 95 2HB ALA 14 2HB ALA 14 11.567 2.610 -0.972 96 3HB ALA 14 3HB ALA 14 9.985 2.673 -1.749 97 H MET 15 H MET 15 7.779 4.503 -0.698 98 HA MET 15 HA MET 15 8.780 6.544 -2.534 99 1HB MET 15 1HB MET 15 6.046 5.332 -2.124 100 2HB MET 15 2HB MET 15 6.337 6.686 -3.208 101 1HG MET 15 1HG MET 15 8.243 4.841 -3.958 102 2HG MET 15 2HG MET 15 6.830 3.855 -3.588 103 1HE MET 15 1HE MET 15 7.188 7.031 -6.887 104 2HE MET 15 2HE MET 15 8.469 6.485 -5.806 105 3HE MET 15 3HE MET 15 7.185 7.530 -5.196 106 H GLY 16 H GLY 16 8.484 6.683 0.584 107 1HA GLY 16 1HA GLY 16 8.305 8.499 2.000 108 2HA GLY 16 2HA GLY 16 7.862 9.484 0.615 109 H PHE 17 H PHE 17 6.525 6.926 2.704 110 HA PHE 17 HA PHE 17 4.073 8.486 2.991 111 1HB PHE 17 1HB PHE 17 4.141 5.647 1.957 112 2HB PHE 17 2HB PHE 17 2.688 6.413 2.591 113 HD1 PHE 17 1HD PHE 17 1.605 8.202 1.376 114 HD2 PHE 17 2HD PHE 17 5.023 6.228 -0.191 115 HE1 PHE 17 1HE PHE 17 1.115 9.136 -0.851 116 HE2 PHE 17 2HE PHE 17 4.547 7.155 -2.422 117 HZ PHE 17 HZ PHE 17 2.589 8.613 -2.753 118 H SER 18 H SER 18 2.617 7.473 4.704 119 HA SER 18 HA SER 18 4.319 6.650 6.911 120 1HB SER 18 1HB SER 18 2.358 8.458 6.888 121 2HB SER 18 2HB SER 18 1.397 7.042 7.315 122 HG SER 18 HG SER 18 2.165 7.211 9.250 123 H SER 19 H SER 19 2.669 5.016 4.602 124 HA SER 19 HA SER 19 3.015 2.477 5.371 125 1HB SER 19 1HB SER 19 0.939 3.634 7.059 126 2HB SER 19 2HB SER 19 0.381 2.204 6.196 127 HG SER 19 HG SER 19 1.333 1.291 7.873 128 H GLY 20 H GLY 20 0.896 1.004 4.657 129 1HA GLY 20 1HA GLY 20 -0.573 2.132 2.461 130 2HA GLY 20 2HA GLY 20 0.763 1.133 1.920 131 H LYS 21 H LYS 21 -1.963 0.587 1.365 132 HA LYS 21 HA LYS 21 -2.168 -2.039 2.602 133 1HB LYS 21 1HB LYS 21 -4.579 -1.786 2.988 134 2HB LYS 21 2HB LYS 21 -3.640 -0.678 3.956 135 1HG LYS 21 1HG LYS 21 -4.106 1.067 2.182 136 2HG LYS 21 2HG LYS 21 -5.279 -0.074 1.525 137 1HD LYS 21 1HD LYS 21 -6.544 -0.042 3.568 138 2HD LYS 21 2HD LYS 21 -5.309 0.931 4.367 139 1HE LYS 21 1HE LYS 21 -5.743 2.752 2.759 140 2HE LYS 21 2HE LYS 21 -7.026 1.781 2.039 141 1HZ LYS 21 1HZ LYS 21 -6.994 3.247 4.554 142 2HZ LYS 21 2HZ LYS 21 -7.797 1.759 4.571 143 3HZ LYS 21 3HZ LYS 21 -8.272 2.961 3.481 144 H CYS 22 H CYS 22 -4.173 -3.125 1.575 145 HA CYS 22 HA CYS 22 -4.220 -2.559 -1.306 146 1HB CYS 22 1HB CYS 22 -3.551 -5.105 0.096 147 2HB CYS 22 2HB CYS 22 -4.369 -5.180 -1.464 148 H ILE 23 H ILE 23 -6.180 -2.442 -2.141 149 HA ILE 23 HA ILE 23 -8.451 -3.347 -0.542 150 HB ILE 23 HB ILE 23 -8.181 -0.927 -1.333 151 1HG1 ILE 23 1HG1 ILE 23 -10.758 -1.195 -2.285 152 2HG1 ILE 23 2HG1 ILE 23 -10.535 -2.644 -1.312 153 1HG2 ILE 23 1HG2 ILE 23 -9.490 -1.393 -3.868 154 2HG2 ILE 23 2HG2 ILE 23 -7.874 -2.095 -3.821 155 3HG2 ILE 23 3HG2 ILE 23 -8.101 -0.383 -3.478 156 1HD1 ILE 23 1HD1 ILE 23 -9.497 -0.621 0.256 157 2HD1 ILE 23 2HD1 ILE 23 -11.068 -1.400 0.441 158 3HD1 ILE 23 3HD1 ILE 23 -10.929 0.092 -0.488 159 H ASN 24 H ASN 24 -10.079 -3.207 -3.196 160 HA ASN 24 HA ASN 24 -10.428 -5.782 -3.756 161 1HB ASN 24 1HB ASN 24 -11.016 -3.329 -5.092 162 2HB ASN 24 2HB ASN 24 -10.499 -4.506 -6.293 163 1HD2 ASN 24 1HD2 ASN 24 -13.075 -3.360 -4.530 164 2HD2 ASN 24 2HD2 ASN 24 -14.170 -4.674 -4.766 165 H SER 25 H SER 25 -8.003 -3.723 -5.268 166 HA SER 25 HA SER 25 -6.050 -5.680 -5.481 167 1HB SER 25 1HB SER 25 -7.979 -6.097 -7.418 168 2HB SER 25 2HB SER 25 -6.747 -5.178 -8.283 169 HG SER 25 HG SER 25 -5.546 -6.895 -8.280 170 H LYS 26 H LYS 26 -6.331 -2.952 -4.723 171 HA LYS 26 HA LYS 26 -4.260 -1.775 -6.433 172 1HB LYS 26 1HB LYS 26 -6.907 -0.539 -5.735 173 2HB LYS 26 2HB LYS 26 -5.508 0.468 -6.074 174 1HG LYS 26 1HG LYS 26 -5.612 0.091 -8.279 175 2HG LYS 26 2HG LYS 26 -6.012 -1.614 -8.073 176 1HD LYS 26 1HD LYS 26 -8.118 0.283 -7.273 177 2HD LYS 26 2HD LYS 26 -7.739 0.262 -8.997 178 1HE LYS 26 1HE LYS 26 -7.844 -2.421 -8.286 179 2HE LYS 26 2HE LYS 26 -9.162 -1.684 -7.376 180 1HZ LYS 26 1HZ LYS 26 -9.451 -2.521 -9.852 181 2HZ LYS 26 2HZ LYS 26 -8.917 -0.953 -10.195 182 3HZ LYS 26 3HZ LYS 26 -10.302 -1.189 -9.254 183 H CYS 27 H CYS 27 -2.585 -1.352 -5.175 184 HA CYS 27 HA CYS 27 -2.702 -1.174 -2.361 185 1HB CYS 27 1HB CYS 27 -0.726 -2.058 -3.189 186 2HB CYS 27 2HB CYS 27 -0.605 -0.871 -4.464 187 H LYS 28 H LYS 28 -2.865 0.487 -1.122 188 HA LYS 28 HA LYS 28 -2.734 3.198 -2.257 189 1HB LYS 28 1HB LYS 28 -4.298 3.600 -0.116 190 2HB LYS 28 2HB LYS 28 -4.944 3.229 -1.704 191 1HG LYS 28 1HG LYS 28 -4.325 0.888 -0.046 192 2HG LYS 28 2HG LYS 28 -5.593 1.937 0.583 193 1HD LYS 28 1HD LYS 28 -5.648 1.134 -2.291 194 2HD LYS 28 2HD LYS 28 -6.174 -0.016 -1.062 195 1HE LYS 28 1HE LYS 28 -8.160 0.977 -1.035 196 2HE LYS 28 2HE LYS 28 -7.388 2.432 -0.412 197 1HZ LYS 28 1HZ LYS 28 -8.696 2.186 -2.800 198 2HZ LYS 28 2HZ LYS 28 -7.063 2.184 -3.240 199 3HZ LYS 28 3HZ LYS 28 -7.695 3.468 -2.339 200 H CYS 29 H CYS 29 -1.918 4.850 -0.825 201 HA CYS 29 HA CYS 29 -0.140 3.710 1.214 202 1HB CYS 29 1HB CYS 29 0.125 6.198 -0.468 203 2HB CYS 29 2HB CYS 29 1.162 5.857 0.912 204 H TYR 30 H TYR 30 0.217 4.809 3.145 205 HA TYR 30 HA TYR 30 -2.153 6.195 4.144 206 1HB TYR 30 1HB TYR 30 0.216 4.964 5.561 207 2HB TYR 30 2HB TYR 30 -1.090 5.806 6.382 208 HD1 TYR 30 1HD TYR 30 -2.273 3.960 3.558 209 HD2 TYR 30 2HD TYR 30 -1.133 3.575 7.638 210 HE1 TYR 30 1HE TYR 30 -3.536 1.870 3.704 211 HE2 TYR 30 2HE TYR 30 -2.400 1.476 7.798 212 HH TYR 30 HH TYR 30 -4.386 0.427 6.575 213 H LYS 31 H LYS 31 -1.158 7.993 2.644 214 HA LYS 31 HA LYS 31 1.052 9.493 3.254 215 1HB LYS 31 1HB LYS 31 -1.373 9.893 1.782 216 2HB LYS 31 2HB LYS 31 -1.022 11.352 2.696 217 1HG LYS 31 1HG LYS 31 1.088 11.606 1.655 218 2HG LYS 31 2HG LYS 31 1.003 9.992 0.951 219 1HD LYS 31 1HD LYS 31 0.307 11.100 -0.885 220 2HD LYS 31 2HD LYS 31 -1.253 11.084 -0.062 221 1HE LYS 31 1HE LYS 31 0.087 13.296 0.977 222 2HE LYS 31 2HE LYS 31 0.459 13.315 -0.745 223 1HZ LYS 31 1HZ LYS 31 -2.077 13.745 0.612 224 2HZ LYS 31 2HZ LYS 31 -2.157 12.854 -0.822 225 3HZ LYS 31 3HZ LYS 31 -1.493 14.410 -0.829 Start of MODEL 5 1 1H ALA 1 1H ALA 1 2.045 -10.652 -9.567 2 2H ALA 1 2H ALA 1 1.567 -11.284 -8.044 3 3H ALA 1 3H ALA 1 1.391 -9.609 -8.375 4 HA ALA 1 HA ALA 1 -0.085 -10.294 -10.253 5 1HB ALA 1 1HB ALA 1 0.285 -12.577 -10.501 6 2HB ALA 1 2HB ALA 1 -1.262 -12.508 -9.656 7 3HB ALA 1 3HB ALA 1 0.214 -12.880 -8.764 8 H ALA 2 H ALA 2 -0.355 -11.434 -6.867 9 HA ALA 2 HA ALA 2 -2.931 -10.113 -6.615 10 1HB ALA 2 1HB ALA 2 -2.304 -12.424 -5.655 11 2HB ALA 2 2HB ALA 2 -3.252 -11.320 -4.658 12 3HB ALA 2 3HB ALA 2 -1.522 -11.505 -4.367 13 H CYS 3 H CYS 3 -3.403 -8.681 -4.804 14 HA CYS 3 HA CYS 3 -1.228 -6.777 -4.393 15 1HB CYS 3 1HB CYS 3 -3.637 -6.199 -5.192 16 2HB CYS 3 2HB CYS 3 -4.067 -6.359 -3.493 17 H TYR 4 H TYR 4 -0.079 -6.783 -2.559 18 HA TYR 4 HA TYR 4 -1.286 -8.001 -0.161 19 1HB TYR 4 1HB TYR 4 1.398 -8.146 -1.329 20 2HB TYR 4 2HB TYR 4 1.401 -7.803 0.389 21 HD1 TYR 4 1HD TYR 4 2.117 -9.775 1.382 22 HD2 TYR 4 2HD TYR 4 -0.942 -9.945 -1.569 23 HE1 TYR 4 1HE TYR 4 1.781 -12.159 1.879 24 HE2 TYR 4 2HE TYR 4 -1.287 -12.330 -1.081 25 HH TYR 4 HH TYR 4 0.470 -14.256 0.031 26 H SER 5 H SER 5 -1.375 -6.896 1.726 27 HA SER 5 HA SER 5 -1.125 -4.059 1.620 28 1HB SER 5 1HB SER 5 -1.957 -4.067 3.892 29 2HB SER 5 2HB SER 5 -2.860 -5.265 2.964 30 HG SER 5 HG SER 5 -1.747 -6.881 3.956 31 H SER 6 H SER 6 0.913 -6.656 2.773 32 HA SER 6 HA SER 6 2.613 -4.975 4.361 33 1HB SER 6 1HB SER 6 2.898 -7.799 3.320 34 2HB SER 6 2HB SER 6 4.177 -6.996 4.233 35 HG SER 6 HG SER 6 3.058 -7.240 6.005 36 H ASP 7 H ASP 7 2.668 -6.253 1.075 37 HA ASP 7 HA ASP 7 5.255 -5.221 0.441 38 1HB ASP 7 1HB ASP 7 3.494 -6.981 -0.757 39 2HB ASP 7 2HB ASP 7 3.397 -5.573 -1.803 40 H CYS 8 H CYS 8 1.921 -4.188 -0.078 41 HA CYS 8 HA CYS 8 2.338 -1.872 -1.553 42 1HB CYS 8 1HB CYS 8 0.111 -2.810 -1.014 43 2HB CYS 8 2HB CYS 8 0.313 -2.300 0.650 44 H ARG 9 H ARG 9 2.168 -2.268 1.962 45 HA ARG 9 HA ARG 9 2.660 0.353 2.703 46 1HB ARG 9 1HB ARG 9 1.953 -1.353 4.299 47 2HB ARG 9 2HB ARG 9 3.500 -2.173 4.128 48 1HG ARG 9 1HG ARG 9 4.523 -0.783 5.514 49 2HG ARG 9 2HG ARG 9 3.767 0.633 4.783 50 1HD ARG 9 1HD ARG 9 3.087 0.462 7.099 51 2HD ARG 9 2HD ARG 9 1.705 0.145 6.052 52 HE ARG 9 HE ARG 9 1.629 -2.007 6.839 53 1HH1 ARG 9 1HH1 ARG 9 4.661 -0.551 7.817 54 2HH1 ARG 9 2HH1 ARG 9 5.082 -1.847 8.883 55 1HH2 ARG 9 1HH2 ARG 9 2.193 -3.719 8.237 56 2HH2 ARG 9 2HH2 ARG 9 3.680 -3.649 9.122 57 H VAL 10 H VAL 10 5.013 -2.299 2.175 58 HA VAL 10 HA VAL 10 7.316 -0.871 2.843 59 HB VAL 10 HB VAL 10 7.047 -3.032 0.744 60 1HG1 VAL 10 1HG1 VAL 10 9.257 -2.984 0.436 61 2HG1 VAL 10 2HG1 VAL 10 9.572 -2.894 2.169 62 3HG1 VAL 10 3HG1 VAL 10 9.240 -1.422 1.256 63 1HG2 VAL 10 1HG2 VAL 10 8.192 -3.718 3.353 64 2HG2 VAL 10 2HG2 VAL 10 7.027 -4.589 2.359 65 3HG2 VAL 10 3HG2 VAL 10 6.486 -3.274 3.400 66 H LYS 11 H LYS 11 5.517 -1.016 -0.193 67 HA LYS 11 HA LYS 11 7.380 0.483 -1.720 68 1HB LYS 11 1HB LYS 11 4.420 0.037 -2.103 69 2HB LYS 11 2HB LYS 11 5.459 0.815 -3.285 70 1HG LYS 11 1HG LYS 11 6.820 -1.312 -3.306 71 2HG LYS 11 2HG LYS 11 5.518 -2.043 -2.369 72 1HD LYS 11 1HD LYS 11 3.998 -1.098 -4.265 73 2HD LYS 11 2HD LYS 11 5.499 -1.056 -5.190 74 1HE LYS 11 1HE LYS 11 4.335 -3.136 -5.601 75 2HE LYS 11 2HE LYS 11 5.828 -3.451 -4.718 76 1HZ LYS 11 1HZ LYS 11 3.674 -4.606 -3.971 77 2HZ LYS 11 2HZ LYS 11 3.284 -3.120 -3.266 78 3HZ LYS 11 3HZ LYS 11 4.685 -3.940 -2.790 79 H CYS 12 H CYS 12 4.767 1.329 0.432 80 HA CYS 12 HA CYS 12 4.768 4.109 -0.362 81 1HB CYS 12 1HB CYS 12 3.440 2.776 2.001 82 2HB CYS 12 2HB CYS 12 3.116 4.404 1.411 83 H VAL 13 H VAL 13 6.074 2.128 2.265 84 HA VAL 13 HA VAL 13 6.963 4.241 3.912 85 HB VAL 13 HB VAL 13 8.044 1.438 3.602 86 1HG1 VAL 13 1HG1 VAL 13 9.789 2.280 4.759 87 2HG1 VAL 13 2HG1 VAL 13 8.691 2.142 6.130 88 3HG1 VAL 13 3HG1 VAL 13 8.882 3.689 5.307 89 1HG2 VAL 13 1HG2 VAL 13 6.163 0.838 4.623 90 2HG2 VAL 13 2HG2 VAL 13 5.692 2.518 4.877 91 3HG2 VAL 13 3HG2 VAL 13 6.732 1.707 6.048 92 H ALA 14 H ALA 14 8.355 2.640 1.114 93 HA ALA 14 HA ALA 14 10.890 4.030 1.366 94 1HB ALA 14 1HB ALA 14 10.218 2.570 -1.109 95 2HB ALA 14 2HB ALA 14 10.322 1.625 0.376 96 3HB ALA 14 3HB ALA 14 11.705 2.579 -0.163 97 H MET 15 H MET 15 7.853 4.471 -0.286 98 HA MET 15 HA MET 15 9.019 6.398 -2.146 99 1HB MET 15 1HB MET 15 6.262 5.213 -1.873 100 2HB MET 15 2HB MET 15 6.581 6.583 -2.925 101 1HG MET 15 1HG MET 15 8.004 3.942 -3.119 102 2HG MET 15 2HG MET 15 6.583 4.376 -4.064 103 1HE MET 15 1HE MET 15 8.574 4.986 -7.099 104 2HE MET 15 2HE MET 15 6.943 5.395 -6.565 105 3HE MET 15 3HE MET 15 7.637 3.825 -6.163 106 H GLY 16 H GLY 16 8.533 6.688 0.932 107 1HA GLY 16 1HA GLY 16 8.333 8.578 2.240 108 2HA GLY 16 2HA GLY 16 7.965 9.498 0.793 109 H PHE 17 H PHE 17 6.489 7.051 2.925 110 HA PHE 17 HA PHE 17 4.064 8.670 3.051 111 1HB PHE 17 1HB PHE 17 4.104 5.791 2.123 112 2HB PHE 17 2HB PHE 17 2.647 6.614 2.670 113 HD1 PHE 17 1HD PHE 17 5.080 6.267 -0.010 114 HD2 PHE 17 2HD PHE 17 1.654 8.381 1.344 115 HE1 PHE 17 1HE PHE 17 4.715 7.122 -2.288 116 HE2 PHE 17 2HE PHE 17 1.280 9.247 -0.928 117 HZ PHE 17 HZ PHE 17 2.812 8.616 -2.750 118 H SER 18 H SER 18 2.449 7.481 4.639 119 HA SER 18 HA SER 18 4.050 6.691 6.965 120 1HB SER 18 1HB SER 18 1.929 8.544 6.662 121 2HB SER 18 2HB SER 18 1.327 7.231 7.671 122 HG SER 18 HG SER 18 2.766 9.198 8.484 123 H SER 19 H SER 19 2.304 5.221 4.617 124 HA SER 19 HA SER 19 2.275 2.704 5.747 125 1HB SER 19 1HB SER 19 0.012 4.315 6.619 126 2HB SER 19 2HB SER 19 -0.520 2.865 5.763 127 HG SER 19 HG SER 19 0.864 3.122 8.174 128 H GLY 20 H GLY 20 0.707 1.175 4.568 129 1HA GLY 20 1HA GLY 20 -0.413 2.007 2.092 130 2HA GLY 20 2HA GLY 20 1.147 1.239 1.850 131 H LYS 21 H LYS 21 -1.786 0.450 1.281 132 HA LYS 21 HA LYS 21 -1.443 -2.317 2.050 133 1HB LYS 21 1HB LYS 21 -4.141 -1.290 2.705 134 2HB LYS 21 2HB LYS 21 -3.201 -2.560 3.481 135 1HG LYS 21 1HG LYS 21 -1.915 -0.974 4.672 136 2HG LYS 21 2HG LYS 21 -2.608 0.347 3.735 137 1HD LYS 21 1HD LYS 21 -4.760 0.026 4.746 138 2HD LYS 21 2HD LYS 21 -4.223 -1.466 5.525 139 1HE LYS 21 1HE LYS 21 -2.410 0.198 6.547 140 2HE LYS 21 2HE LYS 21 -3.698 1.364 6.253 141 1HZ LYS 21 1HZ LYS 21 -3.590 -0.851 8.151 142 2HZ LYS 21 2HZ LYS 21 -5.092 -0.529 7.444 143 3HZ LYS 21 3HZ LYS 21 -4.290 0.679 8.315 144 H CYS 22 H CYS 22 -3.778 -3.351 1.436 145 HA CYS 22 HA CYS 22 -4.366 -2.421 -1.289 146 1HB CYS 22 1HB CYS 22 -3.859 -5.216 -0.293 147 2HB CYS 22 2HB CYS 22 -4.651 -4.895 -1.836 148 H ILE 23 H ILE 23 -6.444 -2.179 -1.773 149 HA ILE 23 HA ILE 23 -8.432 -2.944 0.214 150 HB ILE 23 HB ILE 23 -8.229 -0.587 -0.663 151 1HG1 ILE 23 1HG1 ILE 23 -10.895 -0.711 -1.301 152 2HG1 ILE 23 2HG1 ILE 23 -10.655 -2.205 -0.401 153 1HG2 ILE 23 1HG2 ILE 23 -8.324 -1.850 -3.159 154 2HG2 ILE 23 2HG2 ILE 23 -8.266 -0.121 -2.817 155 3HG2 ILE 23 3HG2 ILE 23 -9.821 -0.926 -3.017 156 1HD1 ILE 23 1HD1 ILE 23 -9.329 -0.282 1.090 157 2HD1 ILE 23 2HD1 ILE 23 -10.900 -1.005 1.444 158 3HD1 ILE 23 3HD1 ILE 23 -10.810 0.510 0.547 159 H ASN 24 H ASN 24 -10.395 -2.736 -2.327 160 HA ASN 24 HA ASN 24 -11.116 -5.284 -2.582 161 1HB ASN 24 1HB ASN 24 -11.512 -2.913 -4.125 162 2HB ASN 24 2HB ASN 24 -11.261 -4.262 -5.227 163 1HD2 ASN 24 1HD2 ASN 24 -13.128 -3.269 -2.396 164 2HD2 ASN 24 2HD2 ASN 24 -14.544 -4.180 -2.793 165 H SER 25 H SER 25 -8.641 -3.702 -4.534 166 HA SER 25 HA SER 25 -6.944 -5.898 -4.656 167 1HB SER 25 1HB SER 25 -9.071 -6.286 -6.375 168 2HB SER 25 2HB SER 25 -7.831 -5.613 -7.434 169 HG SER 25 HG SER 25 -7.582 -7.887 -5.750 170 H LYS 26 H LYS 26 -6.811 -3.120 -4.171 171 HA LYS 26 HA LYS 26 -4.749 -2.407 -6.112 172 1HB LYS 26 1HB LYS 26 -7.218 -0.791 -5.553 173 2HB LYS 26 2HB LYS 26 -5.724 -0.003 -6.043 174 1HG LYS 26 1HG LYS 26 -5.885 -1.905 -7.935 175 2HG LYS 26 2HG LYS 26 -7.600 -1.654 -7.604 176 1HD LYS 26 1HD LYS 26 -5.931 0.772 -7.925 177 2HD LYS 26 2HD LYS 26 -6.219 -0.190 -9.375 178 1HE LYS 26 1HE LYS 26 -8.435 0.708 -7.545 179 2HE LYS 26 2HE LYS 26 -7.872 1.676 -8.906 180 1HZ LYS 26 1HZ LYS 26 -8.363 -0.296 -10.337 181 2HZ LYS 26 2HZ LYS 26 -9.724 0.428 -9.642 182 3HZ LYS 26 3HZ LYS 26 -9.118 -1.014 -9.003 183 H CYS 27 H CYS 27 -2.988 -1.755 -5.095 184 HA CYS 27 HA CYS 27 -2.855 -1.380 -2.314 185 1HB CYS 27 1HB CYS 27 -0.947 -2.302 -3.244 186 2HB CYS 27 2HB CYS 27 -0.970 -1.223 -4.618 187 H LYS 28 H LYS 28 -2.829 0.387 -1.151 188 HA LYS 28 HA LYS 28 -2.828 3.005 -2.505 189 1HB LYS 28 1HB LYS 28 -5.095 2.506 -1.821 190 2HB LYS 28 2HB LYS 28 -4.557 2.114 -0.198 191 1HG LYS 28 1HG LYS 28 -4.510 4.255 0.441 192 2HG LYS 28 2HG LYS 28 -3.836 4.804 -1.095 193 1HD LYS 28 1HD LYS 28 -5.859 5.286 -1.951 194 2HD LYS 28 2HD LYS 28 -6.603 3.843 -1.261 195 1HE LYS 28 1HE LYS 28 -6.857 4.915 0.867 196 2HE LYS 28 2HE LYS 28 -5.907 6.303 0.337 197 1HZ LYS 28 1HZ LYS 28 -8.686 5.633 -0.223 198 2HZ LYS 28 2HZ LYS 28 -7.820 6.343 -1.487 199 3HZ LYS 28 3HZ LYS 28 -7.961 7.145 -0.006 200 H CYS 29 H CYS 29 -1.803 4.684 -1.439 201 HA CYS 29 HA CYS 29 -0.054 3.825 0.755 202 1HB CYS 29 1HB CYS 29 0.251 5.988 -1.317 203 2HB CYS 29 2HB CYS 29 1.229 5.953 0.147 204 H TYR 30 H TYR 30 0.129 4.963 2.608 205 HA TYR 30 HA TYR 30 -1.936 7.005 3.064 206 1HB TYR 30 1HB TYR 30 -0.832 4.934 4.952 207 2HB TYR 30 2HB TYR 30 -1.943 6.223 5.421 208 HD1 TYR 30 1HD TYR 30 -4.055 6.409 3.832 209 HD2 TYR 30 2HD TYR 30 -1.765 2.889 4.441 210 HE1 TYR 30 1HE TYR 30 -5.985 5.042 3.136 211 HE2 TYR 30 2HE TYR 30 -3.674 1.513 3.753 212 HH TYR 30 HH TYR 30 -6.354 2.732 2.166 213 H LYS 31 H LYS 31 -0.343 8.469 2.298 214 HA LYS 31 HA LYS 31 2.125 9.008 3.469 215 1HB LYS 31 1HB LYS 31 1.628 11.432 2.694 216 2HB LYS 31 2HB LYS 31 1.760 10.164 1.486 217 1HG LYS 31 1HG LYS 31 -0.950 10.549 2.485 218 2HG LYS 31 2HG LYS 31 -0.275 11.968 1.686 219 1HD LYS 31 1HD LYS 31 -0.055 10.881 -0.346 220 2HD LYS 31 2HD LYS 31 -0.022 9.283 0.399 221 1HE LYS 31 1HE LYS 31 -2.115 9.514 -0.719 222 2HE LYS 31 2HE LYS 31 -2.421 9.600 1.014 223 1HZ LYS 31 1HZ LYS 31 -2.109 12.176 0.464 224 2HZ LYS 31 2HZ LYS 31 -3.607 11.395 0.389 225 3HZ LYS 31 3HZ LYS 31 -2.720 11.651 -1.027 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -1.540 -9.175 -11.201 2 2H ALA 1 2H ALA 1 -0.829 -9.440 -9.663 3 3H ALA 1 3H ALA 1 -1.645 -7.966 -9.993 4 HA ALA 1 HA ALA 1 -3.701 -8.968 -10.060 5 1HB ALA 1 1HB ALA 1 -2.781 -11.715 -9.511 6 2HB ALA 1 2HB ALA 1 -2.471 -11.110 -11.139 7 3HB ALA 1 3HB ALA 1 -4.116 -11.138 -10.507 8 H ALA 2 H ALA 2 -1.344 -10.813 -8.081 9 HA ALA 2 HA ALA 2 -2.963 -10.620 -5.736 10 1HB ALA 2 1HB ALA 2 -1.517 -12.081 -4.796 11 2HB ALA 2 2HB ALA 2 -0.093 -11.256 -5.428 12 3HB ALA 2 3HB ALA 2 -1.029 -12.325 -6.473 13 H CYS 3 H CYS 3 -2.991 -9.115 -4.184 14 HA CYS 3 HA CYS 3 -0.869 -7.064 -4.175 15 1HB CYS 3 1HB CYS 3 -3.277 -6.463 -5.026 16 2HB CYS 3 2HB CYS 3 -3.677 -6.451 -3.313 17 H TYR 4 H TYR 4 0.226 -6.960 -2.305 18 HA TYR 4 HA TYR 4 -1.021 -8.108 0.104 19 1HB TYR 4 1HB TYR 4 1.724 -8.115 -0.960 20 2HB TYR 4 2HB TYR 4 1.608 -7.806 0.762 21 HD1 TYR 4 1HD TYR 4 1.294 -9.561 2.270 22 HD2 TYR 4 2HD TYR 4 0.574 -10.220 -1.872 23 HE1 TYR 4 1HE TYR 4 1.044 -11.966 2.703 24 HE2 TYR 4 2HE TYR 4 0.320 -12.628 -1.450 25 HH TYR 4 HH TYR 4 1.385 -14.185 1.042 26 H SER 5 H SER 5 -1.202 -6.957 1.962 27 HA SER 5 HA SER 5 -1.057 -4.108 1.780 28 1HB SER 5 1HB SER 5 -2.818 -5.259 3.085 29 2HB SER 5 2HB SER 5 -1.584 -5.847 4.202 30 HG SER 5 HG SER 5 -1.758 -4.017 5.195 31 H SER 6 H SER 6 1.008 -6.611 3.089 32 HA SER 6 HA SER 6 2.611 -4.822 4.663 33 1HB SER 6 1HB SER 6 2.655 -7.710 3.988 34 2HB SER 6 2HB SER 6 4.230 -6.981 4.311 35 HG SER 6 HG SER 6 1.968 -6.828 6.026 36 H ASP 7 H ASP 7 2.803 -6.237 1.435 37 HA ASP 7 HA ASP 7 5.385 -5.169 0.835 38 1HB ASP 7 1HB ASP 7 3.727 -7.019 -0.347 39 2HB ASP 7 2HB ASP 7 3.578 -5.647 -1.436 40 H CYS 8 H CYS 8 2.050 -4.249 0.165 41 HA CYS 8 HA CYS 8 2.414 -1.982 -1.376 42 1HB CYS 8 1HB CYS 8 0.212 -2.930 -0.855 43 2HB CYS 8 2HB CYS 8 0.383 -2.434 0.817 44 H ARG 9 H ARG 9 2.192 -2.220 2.150 45 HA ARG 9 HA ARG 9 2.628 0.449 2.757 46 1HB ARG 9 1HB ARG 9 1.882 -1.089 4.455 47 2HB ARG 9 2HB ARG 9 3.371 -2.019 4.323 48 1HG ARG 9 1HG ARG 9 4.552 -0.570 5.550 49 2HG ARG 9 2HG ARG 9 3.709 0.832 4.893 50 1HD ARG 9 1HD ARG 9 2.653 0.966 6.859 51 2HD ARG 9 2HD ARG 9 1.765 -0.475 6.364 52 HE ARG 9 HE ARG 9 4.299 -1.031 7.615 53 1HH1 ARG 9 1HH1 ARG 9 0.894 -0.442 8.172 54 2HH1 ARG 9 2HH1 ARG 9 0.874 -1.272 9.693 55 1HH2 ARG 9 1HH2 ARG 9 4.271 -2.119 9.614 56 2HH2 ARG 9 2HH2 ARG 9 2.794 -2.223 10.513 57 H VAL 10 H VAL 10 5.026 -2.200 2.432 58 HA VAL 10 HA VAL 10 7.295 -0.723 3.099 59 HB VAL 10 HB VAL 10 7.096 -2.962 1.073 60 1HG1 VAL 10 1HG1 VAL 10 9.594 -2.743 2.535 61 2HG1 VAL 10 2HG1 VAL 10 9.263 -1.308 1.566 62 3HG1 VAL 10 3HG1 VAL 10 9.311 -2.895 0.801 63 1HG2 VAL 10 1HG2 VAL 10 7.045 -4.453 2.739 64 2HG2 VAL 10 2HG2 VAL 10 6.509 -3.105 3.739 65 3HG2 VAL 10 3HG2 VAL 10 8.213 -3.556 3.709 66 H LYS 11 H LYS 11 5.584 -1.023 0.023 67 HA LYS 11 HA LYS 11 7.436 0.437 -1.539 68 1HB LYS 11 1HB LYS 11 4.592 -0.396 -1.841 69 2HB LYS 11 2HB LYS 11 5.187 0.879 -2.892 70 1HG LYS 11 1HG LYS 11 6.958 -1.434 -2.767 71 2HG LYS 11 2HG LYS 11 5.344 -1.804 -3.378 72 1HD LYS 11 1HD LYS 11 5.568 -0.413 -5.203 73 2HD LYS 11 2HD LYS 11 6.792 0.591 -4.419 74 1HE LYS 11 1HE LYS 11 8.291 -1.472 -4.521 75 2HE LYS 11 2HE LYS 11 7.105 -2.136 -5.641 76 1HZ LYS 11 1HZ LYS 11 7.451 0.057 -6.900 77 2HZ LYS 11 2HZ LYS 11 8.648 -1.132 -7.018 78 3HZ LYS 11 3HZ LYS 11 8.877 0.196 -5.995 79 H CYS 12 H CYS 12 4.750 1.358 0.502 80 HA CYS 12 HA CYS 12 4.773 4.105 -0.355 81 1HB CYS 12 1HB CYS 12 3.438 2.832 2.038 82 2HB CYS 12 2HB CYS 12 3.123 4.452 1.421 83 H VAL 13 H VAL 13 6.040 2.244 2.385 84 HA VAL 13 HA VAL 13 6.922 4.420 3.936 85 HB VAL 13 HB VAL 13 8.016 1.611 3.738 86 1HG1 VAL 13 1HG1 VAL 13 8.772 3.917 5.455 87 2HG1 VAL 13 2HG1 VAL 13 9.771 2.626 4.791 88 3HG1 VAL 13 3HG1 VAL 13 8.740 2.315 6.189 89 1HG2 VAL 13 1HG2 VAL 13 5.688 2.774 5.025 90 2HG2 VAL 13 2HG2 VAL 13 6.726 1.915 6.163 91 3HG2 VAL 13 3HG2 VAL 13 6.099 1.082 4.740 92 H ALA 14 H ALA 14 8.349 2.715 1.212 93 HA ALA 14 HA ALA 14 10.865 4.146 1.417 94 1HB ALA 14 1HB ALA 14 10.443 1.705 0.587 95 2HB ALA 14 2HB ALA 14 11.690 2.704 -0.159 96 3HB ALA 14 3HB ALA 14 10.129 2.505 -0.951 97 H MET 15 H MET 15 7.835 4.488 -0.267 98 HA MET 15 HA MET 15 8.983 6.350 -2.202 99 1HB MET 15 1HB MET 15 6.242 5.144 -1.878 100 2HB MET 15 2HB MET 15 6.542 6.477 -2.983 101 1HG MET 15 1HG MET 15 7.984 5.186 -4.316 102 2HG MET 15 2HG MET 15 8.098 3.920 -3.095 103 1HE MET 15 1HE MET 15 4.782 4.785 -6.059 104 2HE MET 15 2HE MET 15 5.933 5.920 -5.352 105 3HE MET 15 3HE MET 15 4.450 5.513 -4.488 106 H GLY 16 H GLY 16 8.497 6.762 0.864 107 1HA GLY 16 1HA GLY 16 8.285 8.712 2.083 108 2HA GLY 16 2HA GLY 16 7.874 9.558 0.603 109 H PHE 17 H PHE 17 6.476 7.122 2.799 110 HA PHE 17 HA PHE 17 4.028 8.704 2.957 111 1HB PHE 17 1HB PHE 17 4.091 5.819 2.048 112 2HB PHE 17 2HB PHE 17 2.632 6.638 2.591 113 HD1 PHE 17 1HD PHE 17 1.614 8.367 1.250 114 HD2 PHE 17 2HD PHE 17 5.068 6.297 -0.093 115 HE1 PHE 17 1HE PHE 17 1.214 9.196 -1.032 116 HE2 PHE 17 2HE PHE 17 4.683 7.121 -2.380 117 HZ PHE 17 HZ PHE 17 2.753 8.574 -2.853 118 H SER 18 H SER 18 2.458 7.478 4.578 119 HA SER 18 HA SER 18 4.123 6.716 6.869 120 1HB SER 18 1HB SER 18 2.349 8.715 6.806 121 2HB SER 18 2HB SER 18 1.260 7.409 7.268 122 HG SER 18 HG SER 18 2.453 7.059 9.090 123 H SER 19 H SER 19 2.333 5.215 4.574 124 HA SER 19 HA SER 19 2.367 2.700 5.686 125 1HB SER 19 1HB SER 19 0.183 4.271 6.753 126 2HB SER 19 2HB SER 19 -0.447 2.894 5.841 127 HG SER 19 HG SER 19 0.405 2.815 8.263 128 H GLY 20 H GLY 20 0.641 1.192 4.603 129 1HA GLY 20 1HA GLY 20 -0.550 2.032 2.167 130 2HA GLY 20 2HA GLY 20 0.992 1.251 1.860 131 H LYS 21 H LYS 21 -1.916 0.478 1.337 132 HA LYS 21 HA LYS 21 -1.574 -2.274 2.151 133 1HB LYS 21 1HB LYS 21 -3.779 -2.527 3.089 134 2HB LYS 21 2HB LYS 21 -2.891 -1.314 3.973 135 1HG LYS 21 1HG LYS 21 -4.106 0.422 2.629 136 2HG LYS 21 2HG LYS 21 -5.106 -0.887 1.999 137 1HD LYS 21 1HD LYS 21 -5.031 -1.179 4.808 138 2HD LYS 21 2HD LYS 21 -5.341 0.526 4.476 139 1HE LYS 21 1HE LYS 21 -6.893 -1.242 2.766 140 2HE LYS 21 2HE LYS 21 -7.204 -1.524 4.476 141 1HZ LYS 21 1HZ LYS 21 -7.699 0.889 2.875 142 2HZ LYS 21 2HZ LYS 21 -7.401 1.057 4.530 143 3HZ LYS 21 3HZ LYS 21 -8.706 0.121 3.999 144 H CYS 22 H CYS 22 -3.624 -3.482 1.357 145 HA CYS 22 HA CYS 22 -4.174 -2.595 -1.392 146 1HB CYS 22 1HB CYS 22 -3.483 -5.336 -0.359 147 2HB CYS 22 2HB CYS 22 -4.237 -5.088 -1.932 148 H ILE 23 H ILE 23 -6.227 -2.498 -1.975 149 HA ILE 23 HA ILE 23 -8.266 -3.454 -0.126 150 HB ILE 23 HB ILE 23 -8.185 -1.071 -0.969 151 1HG1 ILE 23 1HG1 ILE 23 -10.804 -1.413 -1.754 152 2HG1 ILE 23 2HG1 ILE 23 -10.481 -2.864 -0.811 153 1HG2 ILE 23 1HG2 ILE 23 -8.177 -0.570 -3.120 154 2HG2 ILE 23 2HG2 ILE 23 -9.628 -1.527 -3.408 155 3HG2 ILE 23 3HG2 ILE 23 -8.040 -2.292 -3.474 156 1HD1 ILE 23 1HD1 ILE 23 -10.917 -1.662 0.994 157 2HD1 ILE 23 2HD1 ILE 23 -10.924 -0.160 0.069 158 3HD1 ILE 23 3HD1 ILE 23 -9.405 -0.803 0.698 159 H ASN 24 H ASN 24 -10.105 -3.374 -2.741 160 HA ASN 24 HA ASN 24 -10.555 -5.971 -3.109 161 1HB ASN 24 1HB ASN 24 -11.127 -3.597 -4.593 162 2HB ASN 24 2HB ASN 24 -10.688 -4.871 -5.725 163 1HD2 ASN 24 1HD2 ASN 24 -12.570 -4.621 -2.717 164 2HD2 ASN 24 2HD2 ASN 24 -13.942 -5.487 -3.313 165 H SER 25 H SER 25 -8.163 -4.090 -4.896 166 HA SER 25 HA SER 25 -6.263 -6.116 -5.006 167 1HB SER 25 1HB SER 25 -8.290 -6.459 -6.951 168 2HB SER 25 2HB SER 25 -6.864 -5.886 -7.812 169 HG SER 25 HG SER 25 -7.287 -8.270 -6.447 170 H LYS 26 H LYS 26 -6.432 -3.334 -4.428 171 HA LYS 26 HA LYS 26 -4.376 -2.361 -6.270 172 1HB LYS 26 1HB LYS 26 -6.955 -0.945 -5.630 173 2HB LYS 26 2HB LYS 26 -5.527 -0.071 -6.167 174 1HG LYS 26 1HG LYS 26 -5.570 -1.046 -8.279 175 2HG LYS 26 2HG LYS 26 -6.614 -2.367 -7.753 176 1HD LYS 26 1HD LYS 26 -8.349 -0.514 -7.292 177 2HD LYS 26 2HD LYS 26 -7.325 0.492 -8.316 178 1HE LYS 26 1HE LYS 26 -7.611 -0.975 -10.175 179 2HE LYS 26 2HE LYS 26 -8.406 -2.188 -9.170 180 1HZ LYS 26 1HZ LYS 26 -9.923 -0.816 -10.573 181 2HZ LYS 26 2HZ LYS 26 -9.511 0.528 -9.635 182 3HZ LYS 26 3HZ LYS 26 -10.293 -0.792 -8.922 183 H CYS 27 H CYS 27 -2.672 -1.765 -5.128 184 HA CYS 27 HA CYS 27 -2.711 -1.373 -2.328 185 1HB CYS 27 1HB CYS 27 -0.759 -2.329 -3.141 186 2HB CYS 27 2HB CYS 27 -0.664 -1.231 -4.497 187 H LYS 28 H LYS 28 -2.847 0.387 -1.222 188 HA LYS 28 HA LYS 28 -2.760 2.990 -2.588 189 1HB LYS 28 1HB LYS 28 -4.281 3.650 -0.578 190 2HB LYS 28 2HB LYS 28 -4.981 2.867 -1.982 191 1HG LYS 28 1HG LYS 28 -4.081 1.035 0.126 192 2HG LYS 28 2HG LYS 28 -5.384 2.123 0.595 193 1HD LYS 28 1HD LYS 28 -5.652 0.792 -2.033 194 2HD LYS 28 2HD LYS 28 -5.813 -0.233 -0.606 195 1HE LYS 28 1HE LYS 28 -7.956 0.758 -1.489 196 2HE LYS 28 2HE LYS 28 -7.630 1.041 0.219 197 1HZ LYS 28 1HZ LYS 28 -7.035 3.000 -1.934 198 2HZ LYS 28 2HZ LYS 28 -6.937 3.263 -0.267 199 3HZ LYS 28 3HZ LYS 28 -8.442 3.023 -0.997 200 H CYS 29 H CYS 29 -1.806 4.732 -1.454 201 HA CYS 29 HA CYS 29 -0.055 3.852 0.734 202 1HB CYS 29 1HB CYS 29 0.280 6.009 -1.339 203 2HB CYS 29 2HB CYS 29 1.240 5.978 0.138 204 H TYR 30 H TYR 30 0.115 4.979 2.594 205 HA TYR 30 HA TYR 30 -1.949 7.014 3.056 206 1HB TYR 30 1HB TYR 30 -0.777 4.981 4.951 207 2HB TYR 30 2HB TYR 30 -1.909 6.253 5.418 208 HD1 TYR 30 1HD TYR 30 -1.706 2.908 4.575 209 HD2 TYR 30 2HD TYR 30 -4.014 6.374 3.746 210 HE1 TYR 30 1HE TYR 30 -3.585 1.485 3.925 211 HE2 TYR 30 2HE TYR 30 -5.915 4.959 3.083 212 HH TYR 30 HH TYR 30 -5.687 1.810 2.340 213 H LYS 31 H LYS 31 -0.378 8.489 2.245 214 HA LYS 31 HA LYS 31 2.104 9.092 3.307 215 1HB LYS 31 1HB LYS 31 1.552 11.504 2.622 216 2HB LYS 31 2HB LYS 31 1.530 10.273 1.365 217 1HG LYS 31 1HG LYS 31 -0.818 10.257 1.276 218 2HG LYS 31 2HG LYS 31 -0.963 11.124 2.807 219 1HD LYS 31 1HD LYS 31 -0.906 13.089 1.766 220 2HD LYS 31 2HD LYS 31 0.589 12.661 0.932 221 1HE LYS 31 1HE LYS 31 -1.956 11.475 -0.050 222 2HE LYS 31 2HE LYS 31 -1.659 13.180 -0.379 223 1HZ LYS 31 1HZ LYS 31 -0.731 12.162 -2.203 224 2HZ LYS 31 2HZ LYS 31 -0.180 10.822 -1.332 225 3HZ LYS 31 3HZ LYS 31 0.625 12.303 -1.201 Start of MODEL 7 1 1H ALA 1 1H ALA 1 2.199 -12.081 -8.108 2 2H ALA 1 2H ALA 1 0.803 -12.772 -7.385 3 3H ALA 1 3H ALA 1 1.565 -11.415 -6.661 4 HA ALA 1 HA ALA 1 1.114 -10.241 -8.822 5 1HB ALA 1 1HB ALA 1 0.447 -12.457 -9.908 6 2HB ALA 1 2HB ALA 1 -0.570 -11.052 -10.224 7 3HB ALA 1 3HB ALA 1 -1.086 -12.270 -9.059 8 H ALA 2 H ALA 2 -0.803 -11.873 -6.325 9 HA ALA 2 HA ALA 2 -2.911 -10.033 -6.172 10 1HB ALA 2 1HB ALA 2 -2.867 -10.907 -3.660 11 2HB ALA 2 2HB ALA 2 -1.800 -12.114 -4.378 12 3HB ALA 2 3HB ALA 2 -3.435 -11.903 -5.000 13 H CYS 3 H CYS 3 -3.351 -8.367 -4.655 14 HA CYS 3 HA CYS 3 -1.043 -6.706 -4.115 15 1HB CYS 3 1HB CYS 3 -3.390 -5.962 -4.994 16 2HB CYS 3 2HB CYS 3 -3.851 -6.013 -3.297 17 H TYR 4 H TYR 4 0.096 -7.023 -2.318 18 HA TYR 4 HA TYR 4 -1.280 -7.925 0.120 19 1HB TYR 4 1HB TYR 4 1.432 -8.293 -0.973 20 2HB TYR 4 2HB TYR 4 1.384 -7.944 0.744 21 HD1 TYR 4 1HD TYR 4 -0.630 -10.074 -1.597 22 HD2 TYR 4 2HD TYR 4 1.536 -9.808 2.058 23 HE1 TYR 4 1HE TYR 4 -1.153 -12.428 -1.119 24 HE2 TYR 4 2HE TYR 4 1.020 -12.158 2.544 25 HH TYR 4 HH TYR 4 -1.060 -13.801 1.698 26 H SER 5 H SER 5 -1.765 -6.426 1.590 27 HA SER 5 HA SER 5 -0.976 -3.738 1.362 28 1HB SER 5 1HB SER 5 -1.927 -3.504 3.687 29 2HB SER 5 2HB SER 5 -3.020 -4.257 2.523 30 HG SER 5 HG SER 5 -3.007 -5.440 4.445 31 H SER 6 H SER 6 0.597 -6.433 2.908 32 HA SER 6 HA SER 6 2.257 -4.812 4.619 33 1HB SER 6 1HB SER 6 2.074 -7.711 3.938 34 2HB SER 6 2HB SER 6 3.627 -7.117 4.525 35 HG SER 6 HG SER 6 2.674 -6.482 6.412 36 H ASP 7 H ASP 7 2.556 -6.391 1.478 37 HA ASP 7 HA ASP 7 5.281 -5.593 1.057 38 1HB ASP 7 1HB ASP 7 3.597 -7.444 -0.095 39 2HB ASP 7 2HB ASP 7 3.651 -6.193 -1.325 40 H CYS 8 H CYS 8 2.111 -4.505 -0.047 41 HA CYS 8 HA CYS 8 3.041 -2.435 -1.699 42 1HB CYS 8 1HB CYS 8 0.701 -3.647 -1.330 43 2HB CYS 8 2HB CYS 8 0.418 -2.233 -0.339 44 H ARG 9 H ARG 9 2.296 -2.650 1.737 45 HA ARG 9 HA ARG 9 2.298 0.084 2.353 46 1HB ARG 9 1HB ARG 9 1.572 -1.455 4.037 47 2HB ARG 9 2HB ARG 9 3.094 -2.335 3.981 48 1HG ARG 9 1HG ARG 9 4.092 -0.019 4.644 49 2HG ARG 9 2HG ARG 9 2.457 0.280 5.227 50 1HD ARG 9 1HD ARG 9 2.681 -1.129 6.965 51 2HD ARG 9 2HD ARG 9 3.554 -2.324 6.007 52 HE ARG 9 HE ARG 9 5.265 -0.165 6.431 53 1HH1 ARG 9 1HH1 ARG 9 3.659 -2.636 8.319 54 2HH1 ARG 9 2HH1 ARG 9 4.884 -2.674 9.542 55 1HH2 ARG 9 1HH2 ARG 9 6.879 -0.217 8.041 56 2HH2 ARG 9 2HH2 ARG 9 6.715 -1.298 9.384 57 H VAL 10 H VAL 10 4.916 -2.342 2.158 58 HA VAL 10 HA VAL 10 7.014 -0.649 2.965 59 HB VAL 10 HB VAL 10 7.144 -2.955 1.005 60 1HG1 VAL 10 1HG1 VAL 10 9.337 -1.659 2.625 61 2HG1 VAL 10 2HG1 VAL 10 9.119 -1.526 0.879 62 3HG1 VAL 10 3HG1 VAL 10 9.512 -3.085 1.605 63 1HG2 VAL 10 1HG2 VAL 10 8.012 -3.240 3.828 64 2HG2 VAL 10 2HG2 VAL 10 7.294 -4.423 2.735 65 3HG2 VAL 10 3HG2 VAL 10 6.278 -3.206 3.507 66 H LYS 11 H LYS 11 5.438 -1.149 -0.145 67 HA LYS 11 HA LYS 11 7.246 0.343 -1.715 68 1HB LYS 11 1HB LYS 11 4.301 -0.160 -2.155 69 2HB LYS 11 2HB LYS 11 5.412 0.469 -3.362 70 1HG LYS 11 1HG LYS 11 6.683 -1.623 -3.275 71 2HG LYS 11 2HG LYS 11 5.548 -2.252 -2.077 72 1HD LYS 11 1HD LYS 11 3.993 -2.722 -3.626 73 2HD LYS 11 2HD LYS 11 4.263 -1.208 -4.490 74 1HE LYS 11 1HE LYS 11 4.836 -3.054 -5.926 75 2HE LYS 11 2HE LYS 11 6.300 -2.177 -5.491 76 1HZ LYS 11 1HZ LYS 11 7.040 -4.243 -5.051 77 2HZ LYS 11 2HZ LYS 11 5.494 -4.887 -4.822 78 3HZ LYS 11 3HZ LYS 11 6.243 -4.027 -3.575 79 H CYS 12 H CYS 12 4.520 1.236 0.300 80 HA CYS 12 HA CYS 12 4.419 3.953 -0.654 81 1HB CYS 12 1HB CYS 12 3.230 2.673 1.819 82 2HB CYS 12 2HB CYS 12 2.962 4.346 1.348 83 H VAL 13 H VAL 13 5.740 2.280 2.192 84 HA VAL 13 HA VAL 13 6.733 4.526 3.537 85 HB VAL 13 HB VAL 13 7.747 1.682 3.505 86 1HG1 VAL 13 1HG1 VAL 13 8.771 2.326 5.729 87 2HG1 VAL 13 2HG1 VAL 13 8.505 4.006 5.260 88 3HG1 VAL 13 3HG1 VAL 13 9.562 2.979 4.292 89 1HG2 VAL 13 1HG2 VAL 13 6.025 3.114 5.523 90 2HG2 VAL 13 2HG2 VAL 13 6.506 1.419 5.559 91 3HG2 VAL 13 3HG2 VAL 13 5.427 2.003 4.291 92 H ALA 14 H ALA 14 8.051 2.615 0.897 93 HA ALA 14 HA ALA 14 10.615 3.949 0.940 94 1HB ALA 14 1HB ALA 14 11.306 2.394 -0.553 95 2HB ALA 14 2HB ALA 14 9.767 2.377 -1.415 96 3HB ALA 14 3HB ALA 14 9.931 1.520 0.119 97 H MET 15 H MET 15 7.535 4.425 -0.614 98 HA MET 15 HA MET 15 8.693 6.194 -2.631 99 1HB MET 15 1HB MET 15 5.914 5.130 -2.168 100 2HB MET 15 2HB MET 15 6.225 6.435 -3.303 101 1HG MET 15 1HG MET 15 7.602 5.045 -4.651 102 2HG MET 15 2HG MET 15 7.587 3.763 -3.440 103 1HE MET 15 1HE MET 15 6.395 3.433 -6.859 104 2HE MET 15 2HE MET 15 5.687 1.980 -6.153 105 3HE MET 15 3HE MET 15 7.283 2.523 -5.637 106 H GLY 16 H GLY 16 8.380 6.689 0.436 107 1HA GLY 16 1HA GLY 16 8.401 8.749 1.533 108 2HA GLY 16 2HA GLY 16 7.699 9.496 0.109 109 H PHE 17 H PHE 17 6.673 6.909 2.345 110 HA PHE 17 HA PHE 17 4.346 8.501 3.113 111 1HB PHE 17 1HB PHE 17 4.135 5.736 1.898 112 2HB PHE 17 2HB PHE 17 2.819 6.563 2.718 113 HD1 PHE 17 1HD PHE 17 1.711 8.437 1.705 114 HD2 PHE 17 2HD PHE 17 4.846 6.407 -0.311 115 HE1 PHE 17 1HE PHE 17 1.036 9.511 -0.405 116 HE2 PHE 17 2HE PHE 17 4.188 7.473 -2.429 117 HZ PHE 17 HZ PHE 17 2.278 9.029 -2.478 118 H SER 18 H SER 18 3.028 7.133 4.826 119 HA SER 18 HA SER 18 5.011 5.981 6.661 120 1HB SER 18 1HB SER 18 2.945 7.944 7.037 121 2HB SER 18 2HB SER 18 2.663 6.573 8.106 122 HG SER 18 HG SER 18 4.922 8.261 7.944 123 H SER 19 H SER 19 2.707 4.933 4.596 124 HA SER 19 HA SER 19 2.651 2.311 5.508 125 1HB SER 19 1HB SER 19 0.709 4.016 6.848 126 2HB SER 19 2HB SER 19 -0.083 2.700 5.972 127 HG SER 19 HG SER 19 1.794 2.575 8.069 128 H GLY 20 H GLY 20 0.727 1.046 4.486 129 1HA GLY 20 1HA GLY 20 -0.605 2.203 2.261 130 2HA GLY 20 2HA GLY 20 0.810 1.304 1.742 131 H LYS 21 H LYS 21 -2.196 0.835 1.442 132 HA LYS 21 HA LYS 21 -2.158 -1.909 2.498 133 1HB LYS 21 1HB LYS 21 -4.579 -0.121 2.267 134 2HB LYS 21 2HB LYS 21 -4.588 -1.798 2.792 135 1HG LYS 21 1HG LYS 21 -2.891 0.169 4.217 136 2HG LYS 21 2HG LYS 21 -4.628 0.130 4.512 137 1HD LYS 21 1HD LYS 21 -3.415 -2.516 4.545 138 2HD LYS 21 2HD LYS 21 -2.731 -1.435 5.761 139 1HE LYS 21 1HE LYS 21 -5.441 -0.971 5.955 140 2HE LYS 21 2HE LYS 21 -5.357 -2.701 5.634 141 1HZ LYS 21 1HZ LYS 21 -5.183 -1.706 8.062 142 2HZ LYS 21 2HZ LYS 21 -3.543 -1.634 7.660 143 3HZ LYS 21 3HZ LYS 21 -4.361 -3.114 7.611 144 H CYS 22 H CYS 22 -4.107 -3.083 1.465 145 HA CYS 22 HA CYS 22 -4.240 -2.631 -1.419 146 1HB CYS 22 1HB CYS 22 -3.161 -5.013 0.020 147 2HB CYS 22 2HB CYS 22 -3.972 -5.245 -1.527 148 H ILE 23 H ILE 23 -6.252 -2.919 -2.186 149 HA ILE 23 HA ILE 23 -8.212 -4.279 -0.484 150 HB ILE 23 HB ILE 23 -8.337 -1.749 -0.903 151 1HG1 ILE 23 1HG1 ILE 23 -10.956 -2.255 -1.604 152 2HG1 ILE 23 2HG1 ILE 23 -10.423 -3.772 -0.887 153 1HG2 ILE 23 1HG2 ILE 23 -9.892 -1.982 -3.304 154 2HG2 ILE 23 2HG2 ILE 23 -8.239 -2.538 -3.568 155 3HG2 ILE 23 3HG2 ILE 23 -8.531 -0.920 -2.933 156 1HD1 ILE 23 1HD1 ILE 23 -11.029 -1.242 0.371 157 2HD1 ILE 23 2HD1 ILE 23 -9.445 -1.862 0.836 158 3HD1 ILE 23 3HD1 ILE 23 -10.886 -2.851 1.074 159 H ASN 24 H ASN 24 -10.166 -4.107 -2.809 160 HA ASN 24 HA ASN 24 -10.126 -6.568 -3.816 161 1HB ASN 24 1HB ASN 24 -11.340 -4.091 -4.565 162 2HB ASN 24 2HB ASN 24 -10.847 -4.946 -6.021 163 1HD2 ASN 24 1HD2 ASN 24 -13.114 -4.739 -3.509 164 2HD2 ASN 24 2HD2 ASN 24 -14.047 -6.137 -3.908 165 H SER 25 H SER 25 -8.444 -3.814 -5.237 166 HA SER 25 HA SER 25 -6.247 -5.276 -6.148 167 1HB SER 25 1HB SER 25 -8.041 -6.034 -7.806 168 2HB SER 25 2HB SER 25 -8.037 -4.380 -8.414 169 HG SER 25 HG SER 25 -6.490 -6.258 -9.217 170 H LYS 26 H LYS 26 -6.737 -2.965 -4.674 171 HA LYS 26 HA LYS 26 -5.274 -0.993 -6.261 172 1HB LYS 26 1HB LYS 26 -7.836 -0.451 -4.757 173 2HB LYS 26 2HB LYS 26 -6.722 0.819 -5.238 174 1HG LYS 26 1HG LYS 26 -7.318 0.714 -7.414 175 2HG LYS 26 2HG LYS 26 -7.615 -1.023 -7.368 176 1HD LYS 26 1HD LYS 26 -9.449 0.698 -5.799 177 2HD LYS 26 2HD LYS 26 -9.578 0.785 -7.557 178 1HE LYS 26 1HE LYS 26 -9.704 -1.749 -7.531 179 2HE LYS 26 2HE LYS 26 -9.906 -1.626 -5.784 180 1HZ LYS 26 1HZ LYS 26 -12.070 -1.640 -6.465 181 2HZ LYS 26 2HZ LYS 26 -11.751 -0.857 -7.929 182 3HZ LYS 26 3HZ LYS 26 -11.793 0.030 -6.488 183 H CYS 27 H CYS 27 -3.904 0.300 -5.066 184 HA CYS 27 HA CYS 27 -3.522 -0.491 -2.270 185 1HB CYS 27 1HB CYS 27 -1.732 -0.933 -4.044 186 2HB CYS 27 2HB CYS 27 -1.465 0.803 -4.038 187 H LYS 28 H LYS 28 -3.540 0.976 -0.726 188 HA LYS 28 HA LYS 28 -3.783 3.801 -1.507 189 1HB LYS 28 1HB LYS 28 -4.850 3.881 0.914 190 2HB LYS 28 2HB LYS 28 -5.811 3.506 -0.503 191 1HG LYS 28 1HG LYS 28 -4.550 1.331 1.126 192 2HG LYS 28 2HG LYS 28 -6.073 2.073 1.621 193 1HD LYS 28 1HD LYS 28 -6.078 1.355 -1.194 194 2HD LYS 28 2HD LYS 28 -5.765 -0.038 -0.156 195 1HE LYS 28 1HE LYS 28 -8.134 0.149 -0.507 196 2HE LYS 28 2HE LYS 28 -7.774 0.559 1.169 197 1HZ LYS 28 1HZ LYS 28 -7.751 2.962 0.303 198 2HZ LYS 28 2HZ LYS 28 -9.246 2.201 0.509 199 3HZ LYS 28 3HZ LYS 28 -8.578 2.343 -1.038 200 H CYS 29 H CYS 29 -2.176 5.082 -0.851 201 HA CYS 29 HA CYS 29 -0.273 4.002 1.090 202 1HB CYS 29 1HB CYS 29 -0.113 6.273 -0.881 203 2HB CYS 29 2HB CYS 29 1.052 6.110 0.427 204 H TYR 30 H TYR 30 0.274 5.008 2.964 205 HA TYR 30 HA TYR 30 -1.551 7.134 3.844 206 1HB TYR 30 1HB TYR 30 -0.366 4.859 5.428 207 2HB TYR 30 2HB TYR 30 -1.326 6.171 6.114 208 HD1 TYR 30 1HD TYR 30 -3.608 6.590 4.859 209 HD2 TYR 30 2HD TYR 30 -1.487 2.910 4.853 210 HE1 TYR 30 1HE TYR 30 -5.690 5.395 4.314 211 HE2 TYR 30 2HE TYR 30 -3.538 1.715 4.324 212 HH TYR 30 HH TYR 30 -5.699 1.961 3.567 213 H LYS 31 H LYS 31 -0.024 8.583 3.018 214 HA LYS 31 HA LYS 31 2.624 8.913 3.768 215 1HB LYS 31 1HB LYS 31 2.258 11.365 3.329 216 2HB LYS 31 2HB LYS 31 1.766 10.293 2.027 217 1HG LYS 31 1HG LYS 31 -0.190 11.341 2.030 218 2HG LYS 31 2HG LYS 31 -0.516 10.592 3.593 219 1HD LYS 31 1HD LYS 31 0.882 12.603 4.514 220 2HD LYS 31 2HD LYS 31 0.452 13.349 2.974 221 1HE LYS 31 1HE LYS 31 -1.403 14.009 4.054 222 2HE LYS 31 2HE LYS 31 -1.950 12.355 3.782 223 1HZ LYS 31 1HZ LYS 31 -2.249 12.484 6.010 224 2HZ LYS 31 2HZ LYS 31 -1.026 13.629 6.244 225 3HZ LYS 31 3HZ LYS 31 -0.627 11.997 6.029 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -3.233 -11.042 -10.957 2 2H ALA 1 2H ALA 1 -4.299 -9.930 -10.196 3 3H ALA 1 3H ALA 1 -4.036 -11.481 -9.508 4 HA ALA 1 HA ALA 1 -1.635 -10.828 -9.373 5 1HB ALA 1 1HB ALA 1 -2.658 -8.025 -9.300 6 2HB ALA 1 2HB ALA 1 -2.216 -8.748 -10.848 7 3HB ALA 1 3HB ALA 1 -1.018 -8.621 -9.560 8 H ALA 2 H ALA 2 -1.218 -11.161 -7.293 9 HA ALA 2 HA ALA 2 -3.290 -10.717 -5.320 10 1HB ALA 2 1HB ALA 2 -0.636 -11.697 -4.459 11 2HB ALA 2 2HB ALA 2 -1.524 -12.713 -5.594 12 3HB ALA 2 3HB ALA 2 -2.251 -12.273 -4.049 13 H CYS 3 H CYS 3 -3.456 -8.961 -4.110 14 HA CYS 3 HA CYS 3 -1.145 -7.155 -3.903 15 1HB CYS 3 1HB CYS 3 -3.478 -6.448 -4.845 16 2HB CYS 3 2HB CYS 3 -3.951 -6.390 -3.151 17 H TYR 4 H TYR 4 -0.107 -6.970 -2.017 18 HA TYR 4 HA TYR 4 -1.492 -7.861 0.430 19 1HB TYR 4 1HB TYR 4 1.151 -8.487 -0.635 20 2HB TYR 4 2HB TYR 4 1.215 -7.902 1.018 21 HD1 TYR 4 1HD TYR 4 0.536 -9.265 2.824 22 HD2 TYR 4 2HD TYR 4 -0.270 -10.500 -1.167 23 HE1 TYR 4 1HE TYR 4 -0.125 -11.481 3.651 24 HE2 TYR 4 2HE TYR 4 -0.934 -12.722 -0.351 25 HH TYR 4 HH TYR 4 -0.264 -13.828 2.742 26 H SER 5 H SER 5 -1.524 -6.558 2.181 27 HA SER 5 HA SER 5 -1.023 -3.795 1.847 28 1HB SER 5 1HB SER 5 -1.321 -3.939 4.502 29 2HB SER 5 2HB SER 5 -2.687 -4.079 3.397 30 HG SER 5 HG SER 5 -2.594 -5.754 5.003 31 H SER 6 H SER 6 0.882 -6.409 3.191 32 HA SER 6 HA SER 6 2.759 -4.772 4.573 33 1HB SER 6 1HB SER 6 2.600 -7.637 3.775 34 2HB SER 6 2HB SER 6 4.205 -6.989 4.112 35 HG SER 6 HG SER 6 3.588 -7.518 6.085 36 H ASP 7 H ASP 7 2.654 -6.176 1.322 37 HA ASP 7 HA ASP 7 5.234 -5.239 0.546 38 1HB ASP 7 1HB ASP 7 3.391 -6.963 -0.545 39 2HB ASP 7 2HB ASP 7 3.236 -5.561 -1.592 40 H CYS 8 H CYS 8 1.925 -4.097 0.077 41 HA CYS 8 HA CYS 8 2.374 -1.822 -1.442 42 1HB CYS 8 1HB CYS 8 0.132 -2.643 -0.851 43 2HB CYS 8 2HB CYS 8 0.399 -2.191 0.819 44 H ARG 9 H ARG 9 2.286 -2.159 2.077 45 HA ARG 9 HA ARG 9 2.882 0.445 2.782 46 1HB ARG 9 1HB ARG 9 2.178 -1.183 4.429 47 2HB ARG 9 2HB ARG 9 3.642 -2.128 4.171 48 1HG ARG 9 1HG ARG 9 4.809 0.122 4.802 49 2HG ARG 9 2HG ARG 9 3.267 0.438 5.597 50 1HD ARG 9 1HD ARG 9 3.554 -1.237 7.134 51 2HD ARG 9 2HD ARG 9 4.565 -2.197 6.057 52 HE ARG 9 HE ARG 9 6.414 -1.097 6.845 53 1HH1 ARG 9 1HH1 ARG 9 3.549 0.637 7.881 54 2HH1 ARG 9 2HH1 ARG 9 4.418 1.664 8.973 55 1HH2 ARG 9 1HH2 ARG 9 7.552 0.262 8.282 56 2HH2 ARG 9 2HH2 ARG 9 6.690 1.453 9.200 57 H VAL 10 H VAL 10 5.155 -2.261 2.185 58 HA VAL 10 HA VAL 10 7.512 -0.881 2.764 59 HB VAL 10 HB VAL 10 7.107 -3.031 0.672 60 1HG1 VAL 10 1HG1 VAL 10 9.500 -1.598 1.617 61 2HG1 VAL 10 2HG1 VAL 10 9.197 -2.419 0.088 62 3HG1 VAL 10 3HG1 VAL 10 9.654 -3.351 1.515 63 1HG2 VAL 10 1HG2 VAL 10 7.250 -4.610 2.278 64 2HG2 VAL 10 2HG2 VAL 10 6.648 -3.315 3.311 65 3HG2 VAL 10 3HG2 VAL 10 8.373 -3.670 3.258 66 H LYS 11 H LYS 11 5.640 -1.051 -0.229 67 HA LYS 11 HA LYS 11 7.435 0.488 -1.799 68 1HB LYS 11 1HB LYS 11 4.486 -0.080 -2.092 69 2HB LYS 11 2HB LYS 11 5.424 0.802 -3.288 70 1HG LYS 11 1HG LYS 11 6.897 -1.493 -2.922 71 2HG LYS 11 2HG LYS 11 5.229 -2.059 -2.799 72 1HD LYS 11 1HD LYS 11 5.988 -2.177 -5.103 73 2HD LYS 11 2HD LYS 11 4.718 -0.962 -4.942 74 1HE LYS 11 1HE LYS 11 7.046 0.463 -4.499 75 2HE LYS 11 2HE LYS 11 7.492 -0.669 -5.775 76 1HZ LYS 11 1HZ LYS 11 6.646 1.006 -7.025 77 2HZ LYS 11 2HZ LYS 11 5.571 1.533 -5.831 78 3HZ LYS 11 3HZ LYS 11 5.205 0.163 -6.754 79 H CYS 12 H CYS 12 4.874 1.273 0.426 80 HA CYS 12 HA CYS 12 4.733 4.040 -0.371 81 1HB CYS 12 1HB CYS 12 3.581 2.609 2.030 82 2HB CYS 12 2HB CYS 12 3.252 4.284 1.605 83 H VAL 13 H VAL 13 6.307 2.150 2.183 84 HA VAL 13 HA VAL 13 7.206 4.329 3.736 85 HB VAL 13 HB VAL 13 8.393 1.572 3.398 86 1HG1 VAL 13 1HG1 VAL 13 10.163 2.468 4.458 87 2HG1 VAL 13 2HG1 VAL 13 9.134 2.391 5.887 88 3HG1 VAL 13 3HG1 VAL 13 9.259 3.894 4.972 89 1HG2 VAL 13 1HG2 VAL 13 5.975 2.135 4.414 90 2HG2 VAL 13 2HG2 VAL 13 6.959 2.346 5.861 91 3HG2 VAL 13 3HG2 VAL 13 6.986 0.811 4.995 92 H ALA 14 H ALA 14 8.480 2.746 0.871 93 HA ALA 14 HA ALA 14 10.963 4.245 0.933 94 1HB ALA 14 1HB ALA 14 9.982 2.555 -1.337 95 2HB ALA 14 2HB ALA 14 10.706 1.852 0.108 96 3HB ALA 14 3HB ALA 14 11.641 2.957 -0.900 97 H MET 15 H MET 15 7.805 4.540 -0.512 98 HA MET 15 HA MET 15 8.752 6.508 -2.454 99 1HB MET 15 1HB MET 15 6.053 5.243 -1.977 100 2HB MET 15 2HB MET 15 6.296 6.561 -3.114 101 1HG MET 15 1HG MET 15 7.910 4.049 -3.294 102 2HG MET 15 2HG MET 15 6.297 4.153 -3.994 103 1HE MET 15 1HE MET 15 5.549 5.946 -5.524 104 2HE MET 15 2HE MET 15 6.550 6.676 -6.779 105 3HE MET 15 3HE MET 15 6.450 7.425 -5.184 106 H GLY 16 H GLY 16 8.448 6.792 0.657 107 1HA GLY 16 1HA GLY 16 8.227 8.671 1.978 108 2HA GLY 16 2HA GLY 16 7.748 9.575 0.551 109 H PHE 17 H PHE 17 6.475 7.033 2.711 110 HA PHE 17 HA PHE 17 3.998 8.556 2.988 111 1HB PHE 17 1HB PHE 17 4.105 5.698 2.005 112 2HB PHE 17 2HB PHE 17 2.642 6.466 2.614 113 HD1 PHE 17 1HD PHE 17 1.549 8.215 1.355 114 HD2 PHE 17 2HD PHE 17 4.996 6.243 -0.151 115 HE1 PHE 17 1HE PHE 17 1.066 9.097 -0.894 116 HE2 PHE 17 2HE PHE 17 4.525 7.119 -2.403 117 HZ PHE 17 HZ PHE 17 2.557 8.551 -2.775 118 H SER 18 H SER 18 2.540 7.465 4.689 119 HA SER 18 HA SER 18 4.263 6.716 6.916 120 1HB SER 18 1HB SER 18 1.958 8.321 6.691 121 2HB SER 18 2HB SER 18 1.492 6.927 7.669 122 HG SER 18 HG SER 18 2.484 8.833 8.763 123 H SER 19 H SER 19 2.621 5.040 4.624 124 HA SER 19 HA SER 19 2.993 2.516 5.470 125 1HB SER 19 1HB SER 19 0.784 3.706 6.996 126 2HB SER 19 2HB SER 19 0.374 2.176 6.223 127 HG SER 19 HG SER 19 2.150 2.712 8.277 128 H GLY 20 H GLY 20 0.945 0.988 4.701 129 1HA GLY 20 1HA GLY 20 -0.496 2.038 2.456 130 2HA GLY 20 2HA GLY 20 0.893 1.093 1.954 131 H LYS 21 H LYS 21 -1.840 0.468 1.373 132 HA LYS 21 HA LYS 21 -1.929 -2.190 2.548 133 1HB LYS 21 1HB LYS 21 -4.306 -2.060 3.044 134 2HB LYS 21 2HB LYS 21 -3.424 -0.861 3.955 135 1HG LYS 21 1HG LYS 21 -4.085 0.817 2.203 136 2HG LYS 21 2HG LYS 21 -5.145 -0.425 1.538 137 1HD LYS 21 1HD LYS 21 -6.142 -0.583 3.888 138 2HD LYS 21 2HD LYS 21 -5.299 0.929 4.217 139 1HE LYS 21 1HE LYS 21 -6.988 0.759 1.773 140 2HE LYS 21 2HE LYS 21 -7.791 0.892 3.339 141 1HZ LYS 21 1HZ LYS 21 -7.316 3.045 2.187 142 2HZ LYS 21 2HZ LYS 21 -5.669 2.764 2.449 143 3HZ LYS 21 3HZ LYS 21 -6.715 2.938 3.765 144 H CYS 22 H CYS 22 -4.038 -3.237 1.534 145 HA CYS 22 HA CYS 22 -4.083 -2.618 -1.334 146 1HB CYS 22 1HB CYS 22 -3.429 -5.202 0.012 147 2HB CYS 22 2HB CYS 22 -4.240 -5.232 -1.554 148 H ILE 23 H ILE 23 -6.054 -2.484 -2.155 149 HA ILE 23 HA ILE 23 -8.300 -3.421 -0.534 150 HB ILE 23 HB ILE 23 -8.044 -0.983 -1.223 151 1HG1 ILE 23 1HG1 ILE 23 -10.626 -1.169 -2.142 152 2HG1 ILE 23 2HG1 ILE 23 -10.407 -2.695 -1.291 153 1HG2 ILE 23 1HG2 ILE 23 -7.978 -0.335 -3.336 154 2HG2 ILE 23 2HG2 ILE 23 -9.380 -1.316 -3.760 155 3HG2 ILE 23 3HG2 ILE 23 -7.768 -2.032 -3.767 156 1HD1 ILE 23 1HD1 ILE 23 -10.751 -0.023 -0.244 157 2HD1 ILE 23 2HD1 ILE 23 -9.330 -0.824 0.426 158 3HD1 ILE 23 3HD1 ILE 23 -10.915 -1.585 0.561 159 H ASN 24 H ASN 24 -9.944 -3.133 -3.200 160 HA ASN 24 HA ASN 24 -10.403 -5.677 -3.802 161 1HB ASN 24 1HB ASN 24 -10.876 -3.181 -5.109 162 2HB ASN 24 2HB ASN 24 -10.436 -4.381 -6.319 163 1HD2 ASN 24 1HD2 ASN 24 -12.794 -3.358 -4.027 164 2HD2 ASN 24 2HD2 ASN 24 -14.012 -4.509 -4.446 165 H SER 25 H SER 25 -7.873 -3.726 -5.305 166 HA SER 25 HA SER 25 -6.054 -5.813 -5.547 167 1HB SER 25 1HB SER 25 -7.986 -6.167 -7.430 168 2HB SER 25 2HB SER 25 -6.830 -5.182 -8.327 169 HG SER 25 HG SER 25 -5.335 -6.742 -8.146 170 H LYS 26 H LYS 26 -6.191 -3.002 -4.821 171 HA LYS 26 HA LYS 26 -3.942 -2.090 -6.431 172 1HB LYS 26 1HB LYS 26 -4.842 0.052 -6.905 173 2HB LYS 26 2HB LYS 26 -6.054 -1.124 -7.381 174 1HG LYS 26 1HG LYS 26 -6.769 -0.546 -4.798 175 2HG LYS 26 2HG LYS 26 -6.188 1.006 -5.404 176 1HD LYS 26 1HD LYS 26 -7.664 0.463 -7.470 177 2HD LYS 26 2HD LYS 26 -8.455 -0.687 -6.391 178 1HE LYS 26 1HE LYS 26 -9.677 0.964 -5.550 179 2HE LYS 26 2HE LYS 26 -8.204 1.740 -4.973 180 1HZ LYS 26 1HZ LYS 26 -9.811 2.334 -7.335 181 2HZ LYS 26 2HZ LYS 26 -8.136 2.521 -7.485 182 3HZ LYS 26 3HZ LYS 26 -8.978 3.381 -6.297 183 H CYS 27 H CYS 27 -2.350 -1.437 -5.193 184 HA CYS 27 HA CYS 27 -2.527 -1.257 -2.393 185 1HB CYS 27 1HB CYS 27 -0.484 -2.006 -3.172 186 2HB CYS 27 2HB CYS 27 -0.431 -0.846 -4.478 187 H LYS 28 H LYS 28 -2.722 0.380 -1.124 188 HA LYS 28 HA LYS 28 -2.783 3.105 -2.221 189 1HB LYS 28 1HB LYS 28 -4.385 3.380 -0.098 190 2HB LYS 28 2HB LYS 28 -4.995 2.975 -1.691 191 1HG LYS 28 1HG LYS 28 -4.245 0.625 -0.154 192 2HG LYS 28 2HG LYS 28 -5.461 1.606 0.655 193 1HD LYS 28 1HD LYS 28 -5.713 0.819 -2.235 194 2HD LYS 28 2HD LYS 28 -6.289 -0.217 -0.928 195 1HE LYS 28 1HE LYS 28 -8.202 0.931 -1.051 196 2HE LYS 28 2HE LYS 28 -7.328 2.248 -0.273 197 1HZ LYS 28 1HZ LYS 28 -7.881 3.415 -2.073 198 2HZ LYS 28 2HZ LYS 28 -8.309 2.043 -2.961 199 3HZ LYS 28 3HZ LYS 28 -6.693 2.537 -2.899 200 H CYS 29 H CYS 29 -1.792 4.699 -0.993 201 HA CYS 29 HA CYS 29 -0.090 3.665 1.149 202 1HB CYS 29 1HB CYS 29 0.114 6.129 -0.577 203 2HB CYS 29 2HB CYS 29 1.145 5.853 0.824 204 H TYR 30 H TYR 30 0.208 4.769 3.080 205 HA TYR 30 HA TYR 30 -2.181 6.152 4.038 206 1HB TYR 30 1HB TYR 30 0.165 4.925 5.498 207 2HB TYR 30 2HB TYR 30 -1.159 5.766 6.293 208 HD1 TYR 30 1HD TYR 30 -1.247 3.552 7.559 209 HD2 TYR 30 2HD TYR 30 -2.263 3.899 3.447 210 HE1 TYR 30 1HE TYR 30 -2.515 1.455 7.701 211 HE2 TYR 30 2HE TYR 30 -3.526 1.811 3.571 212 HH TYR 30 HH TYR 30 -4.551 0.444 6.326 213 H LYS 31 H LYS 31 -1.222 7.942 2.570 214 HA LYS 31 HA LYS 31 1.008 9.437 3.161 215 1HB LYS 31 1HB LYS 31 -1.493 9.889 1.763 216 2HB LYS 31 2HB LYS 31 -0.944 11.349 2.570 217 1HG LYS 31 1HG LYS 31 1.302 10.215 1.286 218 2HG LYS 31 2HG LYS 31 -0.034 10.200 0.133 219 1HD LYS 31 1HD LYS 31 0.537 12.659 1.742 220 2HD LYS 31 2HD LYS 31 1.496 12.297 0.305 221 1HE LYS 31 1HE LYS 31 -0.176 12.826 -1.096 222 2HE LYS 31 2HE LYS 31 -1.394 12.037 -0.093 223 1HZ LYS 31 1HZ LYS 31 -1.653 14.486 -0.309 224 2HZ LYS 31 2HZ LYS 31 -0.207 14.683 0.545 225 3HZ LYS 31 3HZ LYS 31 -1.536 13.948 1.291 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -0.884 -8.808 -9.900 2 2H ALA 1 2H ALA 1 -2.179 -9.673 -10.624 3 3H ALA 1 3H ALA 1 -0.558 -10.023 -11.065 4 HA ALA 1 HA ALA 1 -1.586 -11.645 -9.575 5 1HB ALA 1 1HB ALA 1 0.704 -10.341 -8.161 6 2HB ALA 1 2HB ALA 1 0.930 -11.007 -9.780 7 3HB ALA 1 3HB ALA 1 0.395 -12.050 -8.462 8 H ALA 2 H ALA 2 -1.304 -11.917 -6.970 9 HA ALA 2 HA ALA 2 -3.490 -10.461 -5.883 10 1HB ALA 2 1HB ALA 2 -1.552 -12.434 -4.710 11 2HB ALA 2 2HB ALA 2 -3.256 -12.661 -5.105 12 3HB ALA 2 3HB ALA 2 -2.796 -11.649 -3.737 13 H CYS 3 H CYS 3 -3.547 -8.932 -4.243 14 HA CYS 3 HA CYS 3 -1.172 -7.260 -4.064 15 1HB CYS 3 1HB CYS 3 -3.354 -6.220 -4.573 16 2HB CYS 3 2HB CYS 3 -3.981 -6.786 -3.030 17 H TYR 4 H TYR 4 0.056 -6.986 -2.280 18 HA TYR 4 HA TYR 4 -0.760 -8.424 0.164 19 1HB TYR 4 1HB TYR 4 1.818 -8.209 -1.250 20 2HB TYR 4 2HB TYR 4 1.915 -8.021 0.492 21 HD1 TYR 4 1HD TYR 4 2.417 -9.930 1.658 22 HD2 TYR 4 2HD TYR 4 0.138 -10.268 -1.921 23 HE1 TYR 4 1HE TYR 4 2.348 -12.369 1.941 24 HE2 TYR 4 2HE TYR 4 0.061 -12.708 -1.648 25 HH TYR 4 HH TYR 4 1.497 -14.479 -0.477 26 H SER 5 H SER 5 -1.310 -7.148 1.809 27 HA SER 5 HA SER 5 -1.028 -4.350 1.763 28 1HB SER 5 1HB SER 5 -2.743 -5.657 3.074 29 2HB SER 5 2HB SER 5 -1.469 -6.025 4.237 30 HG SER 5 HG SER 5 -2.940 -4.027 4.455 31 H SER 6 H SER 6 1.124 -6.851 2.855 32 HA SER 6 HA SER 6 2.724 -5.093 4.496 33 1HB SER 6 1HB SER 6 2.992 -7.956 3.590 34 2HB SER 6 2HB SER 6 4.353 -7.123 4.340 35 HG SER 6 HG SER 6 2.505 -8.343 5.609 36 H ASP 7 H ASP 7 2.837 -6.440 1.243 37 HA ASP 7 HA ASP 7 5.407 -5.350 0.599 38 1HB ASP 7 1HB ASP 7 3.717 -7.201 -0.564 39 2HB ASP 7 2HB ASP 7 3.568 -5.820 -1.641 40 H CYS 8 H CYS 8 2.049 -4.466 0.084 41 HA CYS 8 HA CYS 8 2.285 -2.204 -1.481 42 1HB CYS 8 1HB CYS 8 0.123 -3.107 -0.902 43 2HB CYS 8 2HB CYS 8 0.396 -2.798 0.800 44 H ARG 9 H ARG 9 2.207 -2.404 2.054 45 HA ARG 9 HA ARG 9 2.641 0.273 2.608 46 1HB ARG 9 1HB ARG 9 2.000 -1.188 4.381 47 2HB ARG 9 2HB ARG 9 3.431 -2.192 4.155 48 1HG ARG 9 1HG ARG 9 4.856 -0.438 4.915 49 2HG ARG 9 2HG ARG 9 3.503 0.686 4.992 50 1HD ARG 9 1HD ARG 9 3.397 0.102 7.160 51 2HD ARG 9 2HD ARG 9 2.614 -1.359 6.564 52 HE ARG 9 HE ARG 9 5.490 -1.519 6.659 53 1HH1 ARG 9 1HH1 ARG 9 2.528 -1.990 8.464 54 2HH1 ARG 9 2HH1 ARG 9 3.232 -3.125 9.563 55 1HH2 ARG 9 1HH2 ARG 9 6.416 -3.014 8.108 56 2HH2 ARG 9 2HH2 ARG 9 5.443 -3.708 9.362 57 H VAL 10 H VAL 10 5.038 -2.322 2.071 58 HA VAL 10 HA VAL 10 7.329 -0.817 2.650 59 HB VAL 10 HB VAL 10 7.044 -3.026 0.599 60 1HG1 VAL 10 1HG1 VAL 10 9.579 -3.244 1.452 61 2HG1 VAL 10 2HG1 VAL 10 9.368 -1.498 1.595 62 3HG1 VAL 10 3HG1 VAL 10 9.109 -2.292 0.043 63 1HG2 VAL 10 1HG2 VAL 10 7.175 -4.562 2.236 64 2HG2 VAL 10 2HG2 VAL 10 6.582 -3.256 3.262 65 3HG2 VAL 10 3HG2 VAL 10 8.309 -3.603 3.187 66 H LYS 11 H LYS 11 5.389 -1.054 -0.281 67 HA LYS 11 HA LYS 11 7.131 0.464 -1.930 68 1HB LYS 11 1HB LYS 11 4.158 -0.014 -2.172 69 2HB LYS 11 2HB LYS 11 5.170 0.686 -3.427 70 1HG LYS 11 1HG LYS 11 6.407 -1.387 -3.631 71 2HG LYS 11 2HG LYS 11 5.482 -2.093 -2.305 72 1HD LYS 11 1HD LYS 11 4.147 -2.891 -3.925 73 2HD LYS 11 2HD LYS 11 3.499 -1.252 -3.982 74 1HE LYS 11 1HE LYS 11 5.685 -1.023 -5.587 75 2HE LYS 11 2HE LYS 11 5.199 -2.687 -5.904 76 1HZ LYS 11 1HZ LYS 11 3.152 -2.018 -6.726 77 2HZ LYS 11 2HZ LYS 11 4.198 -0.832 -7.329 78 3HZ LYS 11 3HZ LYS 11 3.221 -0.495 -5.989 79 H CYS 12 H CYS 12 4.592 1.280 0.333 80 HA CYS 12 HA CYS 12 4.498 4.044 -0.511 81 1HB CYS 12 1HB CYS 12 3.272 2.667 1.887 82 2HB CYS 12 2HB CYS 12 3.013 4.355 1.463 83 H VAL 13 H VAL 13 5.976 2.155 2.100 84 HA VAL 13 HA VAL 13 6.921 4.330 3.628 85 HB VAL 13 HB VAL 13 8.030 1.535 3.334 86 1HG1 VAL 13 1HG1 VAL 13 8.912 3.844 4.961 87 2HG1 VAL 13 2HG1 VAL 13 9.839 2.492 4.316 88 3HG1 VAL 13 3HG1 VAL 13 8.864 2.278 5.769 89 1HG2 VAL 13 1HG2 VAL 13 5.636 2.125 4.312 90 2HG2 VAL 13 2HG2 VAL 13 6.587 2.455 5.760 91 3HG2 VAL 13 3HG2 VAL 13 6.648 0.859 5.011 92 H ALA 14 H ALA 14 8.166 2.693 0.782 93 HA ALA 14 HA ALA 14 10.687 4.130 0.850 94 1HB ALA 14 1HB ALA 14 11.417 2.710 -0.782 95 2HB ALA 14 2HB ALA 14 9.819 2.542 -1.504 96 3HB ALA 14 3HB ALA 14 10.202 1.699 -0.004 97 H MET 15 H MET 15 7.546 4.498 -0.607 98 HA MET 15 HA MET 15 8.555 6.388 -2.592 99 1HB MET 15 1HB MET 15 5.843 5.177 -2.081 100 2HB MET 15 2HB MET 15 6.055 6.533 -3.181 101 1HG MET 15 1HG MET 15 7.449 5.256 -4.618 102 2HG MET 15 2HG MET 15 7.541 3.938 -3.451 103 1HE MET 15 1HE MET 15 5.511 5.167 -6.657 104 2HE MET 15 2HE MET 15 5.113 6.200 -5.285 105 3HE MET 15 3HE MET 15 3.893 5.120 -5.960 106 H GLY 16 H GLY 16 8.297 6.750 0.507 107 1HA GLY 16 1HA GLY 16 8.179 8.684 1.772 108 2HA GLY 16 2HA GLY 16 7.651 9.551 0.339 109 H PHE 17 H PHE 17 6.413 7.031 2.546 110 HA PHE 17 HA PHE 17 3.990 8.610 2.952 111 1HB PHE 17 1HB PHE 17 3.979 5.767 1.920 112 2HB PHE 17 2HB PHE 17 2.567 6.568 2.599 113 HD1 PHE 17 1HD PHE 17 1.452 8.334 1.408 114 HD2 PHE 17 2HD PHE 17 4.815 6.349 -0.257 115 HE1 PHE 17 1HE PHE 17 0.895 9.264 -0.805 116 HE2 PHE 17 2HE PHE 17 4.273 7.271 -2.476 117 HZ PHE 17 HZ PHE 17 2.308 8.732 -2.750 118 H SER 18 H SER 18 2.621 7.646 4.737 119 HA SER 18 HA SER 18 4.401 6.802 6.863 120 1HB SER 18 1HB SER 18 1.467 7.191 7.297 121 2HB SER 18 2HB SER 18 2.814 7.548 8.376 122 HG SER 18 HG SER 18 3.303 9.343 7.133 123 H SER 19 H SER 19 2.644 5.167 4.616 124 HA SER 19 HA SER 19 3.094 2.628 5.380 125 1HB SER 19 1HB SER 19 0.991 3.758 7.072 126 2HB SER 19 2HB SER 19 0.510 2.264 6.266 127 HG SER 19 HG SER 19 2.638 2.707 8.060 128 H GLY 20 H GLY 20 1.022 1.092 4.694 129 1HA GLY 20 1HA GLY 20 -0.501 2.185 2.507 130 2HA GLY 20 2HA GLY 20 0.826 1.171 1.976 131 H LYS 21 H LYS 21 -1.825 0.546 1.394 132 HA LYS 21 HA LYS 21 -2.034 -2.032 2.694 133 1HB LYS 21 1HB LYS 21 -4.399 -1.778 3.228 134 2HB LYS 21 2HB LYS 21 -3.422 -0.627 4.104 135 1HG LYS 21 1HG LYS 21 -4.029 1.088 2.393 136 2HG LYS 21 2HG LYS 21 -5.141 -0.093 1.703 137 1HD LYS 21 1HD LYS 21 -6.332 -0.211 3.850 138 2HD LYS 21 2HD LYS 21 -5.233 0.996 4.517 139 1HE LYS 21 1HE LYS 21 -7.225 2.132 3.876 140 2HE LYS 21 2HE LYS 21 -5.981 2.554 2.701 141 1HZ LYS 21 1HZ LYS 21 -7.940 0.377 2.238 142 2HZ LYS 21 2HZ LYS 21 -6.931 1.126 1.105 143 3HZ LYS 21 3HZ LYS 21 -8.232 1.977 1.776 144 H CYS 22 H CYS 22 -4.045 -3.142 1.808 145 HA CYS 22 HA CYS 22 -3.977 -2.873 -1.110 146 1HB CYS 22 1HB CYS 22 -4.471 -5.222 0.699 147 2HB CYS 22 2HB CYS 22 -4.975 -5.252 -0.989 148 H ILE 23 H ILE 23 -5.696 -2.236 -2.157 149 HA ILE 23 HA ILE 23 -8.240 -1.963 -0.730 150 HB ILE 23 HB ILE 23 -8.065 -0.850 -3.453 151 1HG1 ILE 23 1HG1 ILE 23 -6.314 0.307 -1.272 152 2HG1 ILE 23 2HG1 ILE 23 -5.748 -0.433 -2.764 153 1HG2 ILE 23 1HG2 ILE 23 -9.715 -0.512 -1.367 154 2HG2 ILE 23 2HG2 ILE 23 -9.484 0.705 -2.624 155 3HG2 ILE 23 3HG2 ILE 23 -8.613 0.839 -1.095 156 1HD1 ILE 23 1HD1 ILE 23 -7.077 1.372 -3.968 157 2HD1 ILE 23 2HD1 ILE 23 -5.601 1.861 -3.137 158 3HD1 ILE 23 3HD1 ILE 23 -7.172 2.172 -2.400 159 H ASN 24 H ASN 24 -9.666 -1.843 -3.397 160 HA ASN 24 HA ASN 24 -10.780 -4.265 -3.596 161 1HB ASN 24 1HB ASN 24 -10.604 -1.970 -5.279 162 2HB ASN 24 2HB ASN 24 -10.432 -3.404 -6.284 163 1HD2 ASN 24 1HD2 ASN 24 -12.577 -1.380 -4.658 164 2HD2 ASN 24 2HD2 ASN 24 -14.009 -2.329 -4.846 165 H SER 25 H SER 25 -7.828 -3.231 -5.206 166 HA SER 25 HA SER 25 -6.559 -5.707 -5.108 167 1HB SER 25 1HB SER 25 -8.257 -5.252 -7.470 168 2HB SER 25 2HB SER 25 -6.599 -5.713 -7.855 169 HG SER 25 HG SER 25 -7.822 -7.568 -7.617 170 H LYS 26 H LYS 26 -6.035 -2.949 -4.597 171 HA LYS 26 HA LYS 26 -3.591 -2.624 -6.149 172 1HB LYS 26 1HB LYS 26 -5.691 -0.474 -5.827 173 2HB LYS 26 2HB LYS 26 -4.059 -0.185 -6.411 174 1HG LYS 26 1HG LYS 26 -4.445 -1.501 -8.361 175 2HG LYS 26 2HG LYS 26 -6.004 -2.054 -7.743 176 1HD LYS 26 1HD LYS 26 -6.574 0.481 -7.674 177 2HD LYS 26 2HD LYS 26 -5.230 0.636 -8.805 178 1HE LYS 26 1HE LYS 26 -7.518 -1.278 -9.231 179 2HE LYS 26 2HE LYS 26 -7.541 0.384 -9.818 180 1HZ LYS 26 1HZ LYS 26 -5.401 -1.553 -10.516 181 2HZ LYS 26 2HZ LYS 26 -5.696 -0.042 -11.218 182 3HZ LYS 26 3HZ LYS 26 -6.783 -1.314 -11.462 183 H CYS 27 H CYS 27 -2.223 -0.913 -5.199 184 HA CYS 27 HA CYS 27 -2.190 -1.187 -2.317 185 1HB CYS 27 1HB CYS 27 -0.166 -1.718 -3.510 186 2HB CYS 27 2HB CYS 27 -0.161 -0.142 -4.277 187 H LYS 28 H LYS 28 -2.821 0.331 -1.023 188 HA LYS 28 HA LYS 28 -3.088 3.098 -1.990 189 1HB LYS 28 1HB LYS 28 -5.198 2.186 -1.224 190 2HB LYS 28 2HB LYS 28 -4.471 1.647 0.278 191 1HG LYS 28 1HG LYS 28 -5.679 3.565 0.835 192 2HG LYS 28 2HG LYS 28 -4.001 4.101 0.746 193 1HD LYS 28 1HD LYS 28 -4.440 5.513 -0.931 194 2HD LYS 28 2HD LYS 28 -5.367 4.297 -1.814 195 1HE LYS 28 1HE LYS 28 -7.047 5.768 -1.379 196 2HE LYS 28 2HE LYS 28 -7.135 4.811 0.100 197 1HZ LYS 28 1HZ LYS 28 -6.044 7.518 -0.293 198 2HZ LYS 28 2HZ LYS 28 -5.475 6.563 0.984 199 3HZ LYS 28 3HZ LYS 28 -7.117 6.959 0.890 200 H CYS 29 H CYS 29 -2.252 4.784 -0.654 201 HA CYS 29 HA CYS 29 -0.221 3.802 1.234 202 1HB CYS 29 1HB CYS 29 -0.233 6.259 -0.507 203 2HB CYS 29 2HB CYS 29 0.910 6.024 0.811 204 H TYR 30 H TYR 30 0.168 4.863 3.143 205 HA TYR 30 HA TYR 30 -2.182 6.172 4.282 206 1HB TYR 30 1HB TYR 30 0.298 4.975 5.531 207 2HB TYR 30 2HB TYR 30 -0.936 5.817 6.454 208 HD1 TYR 30 1HD TYR 30 -1.067 3.708 7.781 209 HD2 TYR 30 2HD TYR 30 -2.153 3.844 3.675 210 HE1 TYR 30 1HE TYR 30 -2.320 1.611 8.050 211 HE2 TYR 30 2HE TYR 30 -3.402 1.750 3.929 212 HH TYR 30 HH TYR 30 -4.490 0.558 6.559 213 H LYS 31 H LYS 31 -1.331 7.999 2.739 214 HA LYS 31 HA LYS 31 0.872 9.569 3.337 215 1HB LYS 31 1HB LYS 31 -1.503 9.807 1.751 216 2HB LYS 31 2HB LYS 31 -1.244 11.318 2.610 217 1HG LYS 31 1HG LYS 31 1.184 10.245 1.411 218 2HG LYS 31 2HG LYS 31 -0.088 10.600 0.238 219 1HD LYS 31 1HD LYS 31 0.331 12.666 2.292 220 2HD LYS 31 2HD LYS 31 1.686 12.426 1.187 221 1HE LYS 31 1HE LYS 31 0.416 12.991 -0.687 222 2HE LYS 31 2HE LYS 31 -1.111 12.721 0.151 223 1HZ LYS 31 1HZ LYS 31 -0.845 15.038 -0.037 224 2HZ LYS 31 2HZ LYS 31 0.765 14.992 0.483 225 3HZ LYS 31 3HZ LYS 31 -0.486 14.677 1.579 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -1.019 -12.273 -8.906 2 2H ALA 1 2H ALA 1 0.334 -12.187 -9.959 3 3H ALA 1 3H ALA 1 -0.975 -11.092 -10.147 4 HA ALA 1 HA ALA 1 0.989 -11.245 -7.967 5 1HB ALA 1 1HB ALA 1 0.322 -9.196 -10.068 6 2HB ALA 1 2HB ALA 1 1.857 -10.023 -9.791 7 3HB ALA 1 3HB ALA 1 1.281 -8.819 -8.636 8 H ALA 2 H ALA 2 -0.625 -11.686 -6.375 9 HA ALA 2 HA ALA 2 -2.921 -10.078 -6.000 10 1HB ALA 2 1HB ALA 2 -3.401 -11.510 -4.352 11 2HB ALA 2 2HB ALA 2 -1.843 -11.270 -3.563 12 3HB ALA 2 3HB ALA 2 -1.987 -12.409 -4.901 13 H CYS 3 H CYS 3 -3.337 -8.431 -4.494 14 HA CYS 3 HA CYS 3 -1.052 -6.719 -3.982 15 1HB CYS 3 1HB CYS 3 -3.402 -6.002 -4.870 16 2HB CYS 3 2HB CYS 3 -3.863 -6.051 -3.174 17 H TYR 4 H TYR 4 0.095 -7.118 -2.204 18 HA TYR 4 HA TYR 4 -1.289 -7.969 0.244 19 1HB TYR 4 1HB TYR 4 1.415 -8.381 -0.848 20 2HB TYR 4 2HB TYR 4 1.378 -8.001 0.866 21 HD1 TYR 4 1HD TYR 4 -0.166 -10.304 -1.633 22 HD2 TYR 4 2HD TYR 4 1.002 -9.682 2.411 23 HE1 TYR 4 1HE TYR 4 -0.729 -12.640 -1.116 24 HE2 TYR 4 2HE TYR 4 0.444 -12.014 2.940 25 HH TYR 4 HH TYR 4 0.315 -14.285 1.344 26 H SER 5 H SER 5 -1.858 -6.380 1.586 27 HA SER 5 HA SER 5 -1.005 -3.732 1.346 28 1HB SER 5 1HB SER 5 -2.039 -3.404 3.608 29 2HB SER 5 2HB SER 5 -3.088 -4.238 2.462 30 HG SER 5 HG SER 5 -3.116 -5.315 4.440 31 H SER 6 H SER 6 0.542 -6.385 2.946 32 HA SER 6 HA SER 6 2.169 -4.725 4.665 33 1HB SER 6 1HB SER 6 1.913 -7.640 4.115 34 2HB SER 6 2HB SER 6 3.490 -7.076 4.664 35 HG SER 6 HG SER 6 2.425 -7.457 6.512 36 H ASP 7 H ASP 7 2.504 -6.439 1.604 37 HA ASP 7 HA ASP 7 5.257 -5.709 1.205 38 1HB ASP 7 1HB ASP 7 3.597 -7.613 0.125 39 2HB ASP 7 2HB ASP 7 3.655 -6.426 -1.169 40 H CYS 8 H CYS 8 2.127 -4.669 -0.037 41 HA CYS 8 HA CYS 8 3.080 -2.690 -1.782 42 1HB CYS 8 1HB CYS 8 0.726 -3.873 -1.347 43 2HB CYS 8 2HB CYS 8 0.455 -2.403 -0.439 44 H ARG 9 H ARG 9 2.343 -2.759 1.649 45 HA ARG 9 HA ARG 9 2.332 0.005 2.147 46 1HB ARG 9 1HB ARG 9 1.540 -1.283 3.922 47 2HB ARG 9 2HB ARG 9 2.872 -2.424 3.819 48 1HG ARG 9 1HG ARG 9 4.390 -0.707 4.678 49 2HG ARG 9 2HG ARG 9 3.028 0.399 4.835 50 1HD ARG 9 1HD ARG 9 3.408 -2.224 6.283 51 2HD ARG 9 2HD ARG 9 3.502 -0.609 6.984 52 HE ARG 9 HE ARG 9 0.970 -1.022 5.779 53 1HH1 ARG 9 1HH1 ARG 9 2.838 -1.918 8.600 54 2HH1 ARG 9 2HH1 ARG 9 1.443 -2.165 9.597 55 1HH2 ARG 9 1HH2 ARG 9 -0.867 -1.351 7.098 56 2HH2 ARG 9 2HH2 ARG 9 -0.657 -1.842 8.746 57 H VAL 10 H VAL 10 4.946 -2.427 2.136 58 HA VAL 10 HA VAL 10 7.030 -0.742 2.966 59 HB VAL 10 HB VAL 10 7.186 -3.043 1.001 60 1HG1 VAL 10 1HG1 VAL 10 9.198 -1.813 0.809 61 2HG1 VAL 10 2HG1 VAL 10 9.562 -3.182 1.858 62 3HG1 VAL 10 3HG1 VAL 10 9.311 -1.582 2.554 63 1HG2 VAL 10 1HG2 VAL 10 8.166 -4.000 3.347 64 2HG2 VAL 10 2HG2 VAL 10 6.510 -4.225 2.787 65 3HG2 VAL 10 3HG2 VAL 10 6.885 -2.928 3.921 66 H LYS 11 H LYS 11 5.516 -1.225 -0.179 67 HA LYS 11 HA LYS 11 7.366 0.271 -1.699 68 1HB LYS 11 1HB LYS 11 4.428 -0.110 -2.272 69 2HB LYS 11 2HB LYS 11 5.682 0.302 -3.433 70 1HG LYS 11 1HG LYS 11 6.700 -1.993 -2.590 71 2HG LYS 11 2HG LYS 11 5.008 -2.309 -2.203 72 1HD LYS 11 1HD LYS 11 4.600 -1.429 -4.636 73 2HD LYS 11 2HD LYS 11 6.297 -1.857 -4.858 74 1HE LYS 11 1HE LYS 11 5.418 -4.087 -3.644 75 2HE LYS 11 2HE LYS 11 3.934 -3.584 -4.453 76 1HZ LYS 11 1HZ LYS 11 6.545 -3.889 -5.834 77 2HZ LYS 11 2HZ LYS 11 5.032 -3.634 -6.549 78 3HZ LYS 11 3HZ LYS 11 5.364 -5.099 -5.774 79 H CYS 12 H CYS 12 4.575 1.141 0.236 80 HA CYS 12 HA CYS 12 4.475 3.858 -0.707 81 1HB CYS 12 1HB CYS 12 3.192 2.440 1.622 82 2HB CYS 12 2HB CYS 12 3.052 4.179 1.412 83 H VAL 13 H VAL 13 5.778 2.198 2.159 84 HA VAL 13 HA VAL 13 6.704 4.469 3.517 85 HB VAL 13 HB VAL 13 7.786 1.652 3.514 86 1HG1 VAL 13 1HG1 VAL 13 8.827 2.252 5.677 87 2HG1 VAL 13 2HG1 VAL 13 8.355 3.929 5.410 88 3HG1 VAL 13 3HG1 VAL 13 9.505 3.153 4.320 89 1HG2 VAL 13 1HG2 VAL 13 5.749 1.332 4.445 90 2HG2 VAL 13 2HG2 VAL 13 5.577 3.023 4.919 91 3HG2 VAL 13 3HG2 VAL 13 6.568 1.930 5.887 92 H ALA 14 H ALA 14 8.079 2.600 0.883 93 HA ALA 14 HA ALA 14 10.617 3.995 0.972 94 1HB ALA 14 1HB ALA 14 11.390 2.446 -0.501 95 2HB ALA 14 2HB ALA 14 9.851 2.328 -1.353 96 3HB ALA 14 3HB ALA 14 10.059 1.527 0.205 97 H MET 15 H MET 15 7.552 4.374 -0.613 98 HA MET 15 HA MET 15 8.675 6.110 -2.675 99 1HB MET 15 1HB MET 15 5.915 5.012 -2.170 100 2HB MET 15 2HB MET 15 6.198 6.292 -3.341 101 1HG MET 15 1HG MET 15 7.528 4.901 -4.694 102 2HG MET 15 2HG MET 15 7.668 3.681 -3.430 103 1HE MET 15 1HE MET 15 5.331 2.855 -6.817 104 2HE MET 15 2HE MET 15 6.983 3.359 -6.459 105 3HE MET 15 3HE MET 15 5.725 4.569 -6.700 106 H GLY 16 H GLY 16 8.373 6.670 0.381 107 1HA GLY 16 1HA GLY 16 8.365 8.745 1.444 108 2HA GLY 16 2HA GLY 16 7.659 9.462 0.005 109 H PHE 17 H PHE 17 6.640 6.889 2.265 110 HA PHE 17 HA PHE 17 4.309 8.484 3.012 111 1HB PHE 17 1HB PHE 17 4.099 5.708 1.820 112 2HB PHE 17 2HB PHE 17 2.778 6.557 2.614 113 HD1 PHE 17 1HD PHE 17 4.839 6.337 -0.384 114 HD2 PHE 17 2HD PHE 17 1.716 8.441 1.576 115 HE1 PHE 17 1HE PHE 17 4.236 7.404 -2.518 116 HE2 PHE 17 2HE PHE 17 1.104 9.522 -0.552 117 HZ PHE 17 HZ PHE 17 2.362 9.001 -2.604 118 H SER 18 H SER 18 3.067 7.402 4.834 119 HA SER 18 HA SER 18 5.016 6.330 6.714 120 1HB SER 18 1HB SER 18 2.139 6.973 7.348 121 2HB SER 18 2HB SER 18 3.512 6.900 8.453 122 HG SER 18 HG SER 18 2.584 9.029 7.312 123 H SER 19 H SER 19 2.985 4.967 4.531 124 HA SER 19 HA SER 19 3.331 2.355 5.105 125 1HB SER 19 1HB SER 19 1.416 3.498 6.992 126 2HB SER 19 2HB SER 19 0.766 2.117 6.108 127 HG SER 19 HG SER 19 1.822 1.047 7.593 128 H GLY 20 H GLY 20 1.126 1.003 4.433 129 1HA GLY 20 1HA GLY 20 -0.447 2.326 2.419 130 2HA GLY 20 2HA GLY 20 0.805 1.303 1.734 131 H LYS 21 H LYS 21 -1.887 0.815 1.242 132 HA LYS 21 HA LYS 21 -2.179 -1.772 2.556 133 1HB LYS 21 1HB LYS 21 -4.640 -1.405 2.703 134 2HB LYS 21 2HB LYS 21 -3.693 -0.402 3.778 135 1HG LYS 21 1HG LYS 21 -3.907 1.449 2.110 136 2HG LYS 21 2HG LYS 21 -5.028 0.422 1.215 137 1HD LYS 21 1HD LYS 21 -5.937 0.354 3.852 138 2HD LYS 21 2HD LYS 21 -5.486 2.038 3.571 139 1HE LYS 21 1HE LYS 21 -6.978 2.244 1.764 140 2HE LYS 21 2HE LYS 21 -7.187 0.499 1.629 141 1HZ LYS 21 1HZ LYS 21 -8.055 2.035 4.013 142 2HZ LYS 21 2HZ LYS 21 -8.472 0.452 3.588 143 3HZ LYS 21 3HZ LYS 21 -9.069 1.752 2.688 144 H CYS 22 H CYS 22 -4.113 -2.894 1.509 145 HA CYS 22 HA CYS 22 -4.179 -2.519 -1.390 146 1HB CYS 22 1HB CYS 22 -3.272 -4.914 0.146 147 2HB CYS 22 2HB CYS 22 -4.069 -5.147 -1.408 148 H ILE 23 H ILE 23 -6.191 -2.708 -2.192 149 HA ILE 23 HA ILE 23 -8.263 -3.844 -0.462 150 HB ILE 23 HB ILE 23 -8.224 -1.350 -1.070 151 1HG1 ILE 23 1HG1 ILE 23 -10.862 -1.781 -1.799 152 2HG1 ILE 23 2HG1 ILE 23 -10.418 -3.241 -0.922 153 1HG2 ILE 23 1HG2 ILE 23 -8.317 -0.676 -3.163 154 2HG2 ILE 23 2HG2 ILE 23 -9.751 -1.655 -3.476 155 3HG2 ILE 23 3HG2 ILE 23 -8.144 -2.354 -3.670 156 1HD1 ILE 23 1HD1 ILE 23 -10.872 -2.109 0.929 157 2HD1 ILE 23 2HD1 ILE 23 -10.925 -0.572 0.066 158 3HD1 ILE 23 3HD1 ILE 23 -9.380 -1.215 0.627 159 H ASN 24 H ASN 24 -10.169 -3.728 -2.817 160 HA ASN 24 HA ASN 24 -10.290 -6.252 -3.637 161 1HB ASN 24 1HB ASN 24 -11.318 -3.757 -4.579 162 2HB ASN 24 2HB ASN 24 -10.881 -4.749 -5.963 163 1HD2 ASN 24 1HD2 ASN 24 -12.731 -4.727 -2.968 164 2HD2 ASN 24 2HD2 ASN 24 -13.917 -5.874 -3.478 165 H SER 25 H SER 25 -8.376 -3.746 -5.204 166 HA SER 25 HA SER 25 -6.298 -5.429 -5.991 167 1HB SER 25 1HB SER 25 -8.395 -5.887 -7.641 168 2HB SER 25 2HB SER 25 -7.630 -4.544 -8.489 169 HG SER 25 HG SER 25 -6.905 -7.093 -8.473 170 H LYS 26 H LYS 26 -6.654 -2.956 -4.722 171 HA LYS 26 HA LYS 26 -5.022 -1.244 -6.429 172 1HB LYS 26 1HB LYS 26 -7.465 -0.304 -4.911 173 2HB LYS 26 2HB LYS 26 -6.306 0.751 -5.704 174 1HG LYS 26 1HG LYS 26 -7.435 0.588 -7.597 175 2HG LYS 26 2HG LYS 26 -7.196 -1.159 -7.607 176 1HD LYS 26 1HD LYS 26 -9.189 -1.486 -6.283 177 2HD LYS 26 2HD LYS 26 -9.401 0.258 -6.116 178 1HE LYS 26 1HE LYS 26 -9.525 -1.310 -8.693 179 2HE LYS 26 2HE LYS 26 -10.906 -0.670 -7.805 180 1HZ LYS 26 1HZ LYS 26 -8.995 0.710 -9.512 181 2HZ LYS 26 2HZ LYS 26 -9.489 1.549 -8.130 182 3HZ LYS 26 3HZ LYS 26 -10.637 1.020 -9.255 183 H CYS 27 H CYS 27 -3.709 0.219 -5.255 184 HA CYS 27 HA CYS 27 -3.321 -0.515 -2.441 185 1HB CYS 27 1HB CYS 27 -1.557 -1.055 -4.235 186 2HB CYS 27 2HB CYS 27 -1.223 0.668 -4.226 187 H LYS 28 H LYS 28 -3.223 1.009 -0.959 188 HA LYS 28 HA LYS 28 -3.274 3.826 -1.822 189 1HB LYS 28 1HB LYS 28 -5.493 3.254 -1.044 190 2HB LYS 28 2HB LYS 28 -4.836 2.548 0.425 191 1HG LYS 28 1HG LYS 28 -4.252 4.639 1.304 192 2HG LYS 28 2HG LYS 28 -4.443 5.439 -0.256 193 1HD LYS 28 1HD LYS 28 -6.789 4.083 1.007 194 2HD LYS 28 2HD LYS 28 -6.289 5.673 1.582 195 1HE LYS 28 1HE LYS 28 -6.583 6.630 -0.593 196 2HE LYS 28 2HE LYS 28 -6.851 5.041 -1.311 197 1HZ LYS 28 1HZ LYS 28 -8.829 6.642 -0.640 198 2HZ LYS 28 2HZ LYS 28 -8.653 5.849 0.842 199 3HZ LYS 28 3HZ LYS 28 -8.974 4.958 -0.560 200 H CYS 29 H CYS 29 -2.089 5.258 -0.567 201 HA CYS 29 HA CYS 29 -0.177 3.950 1.229 202 1HB CYS 29 1HB CYS 29 -0.027 6.556 -0.277 203 2HB CYS 29 2HB CYS 29 1.134 6.098 0.964 204 H TYR 30 H TYR 30 0.394 4.877 3.200 205 HA TYR 30 HA TYR 30 -1.818 6.235 4.531 206 1HB TYR 30 1HB TYR 30 0.614 4.802 5.619 207 2HB TYR 30 2HB TYR 30 -0.588 5.599 6.620 208 HD1 TYR 30 1HD TYR 30 -2.001 3.994 3.724 209 HD2 TYR 30 2HD TYR 30 -0.673 3.312 7.707 210 HE1 TYR 30 1HE TYR 30 -3.319 1.931 3.804 211 HE2 TYR 30 2HE TYR 30 -1.994 1.243 7.798 212 HH TYR 30 HH TYR 30 -4.414 0.522 5.901 213 H LYS 31 H LYS 31 -0.976 8.130 3.160 214 HA LYS 31 HA LYS 31 1.368 9.499 3.631 215 1HB LYS 31 1HB LYS 31 -1.374 10.700 3.179 216 2HB LYS 31 2HB LYS 31 0.149 11.555 2.994 217 1HG LYS 31 1HG LYS 31 0.632 10.559 1.014 218 2HG LYS 31 2HG LYS 31 -0.203 9.062 1.433 219 1HD LYS 31 1HD LYS 31 -2.283 9.905 0.831 220 2HD LYS 31 2HD LYS 31 -1.761 11.582 0.999 221 1HE LYS 31 1HE LYS 31 -1.912 11.271 -1.310 222 2HE LYS 31 2HE LYS 31 -0.192 11.093 -0.967 223 1HZ LYS 31 1HZ LYS 31 -0.969 8.571 -0.745 224 2HZ LYS 31 2HZ LYS 31 -0.476 9.248 -2.213 225 3HZ LYS 31 3HZ LYS 31 -2.123 9.106 -1.861 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -1.500 -12.123 -9.062 2 2H ALA 1 2H ALA 1 -0.094 -11.143 -9.157 3 3H ALA 1 3H ALA 1 -1.045 -11.417 -10.558 4 HA ALA 1 HA ALA 1 -1.262 -9.221 -9.378 5 1HB ALA 1 1HB ALA 1 -2.810 -9.471 -11.027 6 2HB ALA 1 2HB ALA 1 -3.891 -9.516 -9.635 7 3HB ALA 1 3HB ALA 1 -3.387 -11.018 -10.407 8 H ALA 2 H ALA 2 -0.623 -10.975 -7.150 9 HA ALA 2 HA ALA 2 -2.880 -10.743 -5.333 10 1HB ALA 2 1HB ALA 2 -0.108 -11.794 -4.780 11 2HB ALA 2 2HB ALA 2 -1.471 -12.772 -5.327 12 3HB ALA 2 3HB ALA 2 -1.533 -11.973 -3.758 13 H CYS 3 H CYS 3 -3.246 -8.778 -4.539 14 HA CYS 3 HA CYS 3 -1.058 -6.938 -4.034 15 1HB CYS 3 1HB CYS 3 -3.417 -6.394 -5.029 16 2HB CYS 3 2HB CYS 3 -3.919 -6.363 -3.342 17 H TYR 4 H TYR 4 0.006 -6.981 -2.172 18 HA TYR 4 HA TYR 4 -1.400 -7.889 0.253 19 1HB TYR 4 1HB TYR 4 1.276 -8.372 -0.786 20 2HB TYR 4 2HB TYR 4 1.314 -7.768 0.862 21 HD1 TYR 4 1HD TYR 4 -0.321 -10.379 -1.244 22 HD2 TYR 4 2HD TYR 4 1.001 -9.234 2.637 23 HE1 TYR 4 1HE TYR 4 -0.855 -12.628 -0.403 24 HE2 TYR 4 2HE TYR 4 0.473 -11.478 3.487 25 HH TYR 4 HH TYR 4 -1.140 -13.378 2.799 26 H SER 5 H SER 5 -1.363 -6.686 2.115 27 HA SER 5 HA SER 5 -1.026 -3.867 1.789 28 1HB SER 5 1HB SER 5 -1.350 -4.966 4.527 29 2HB SER 5 2HB SER 5 -2.207 -3.646 3.733 30 HG SER 5 HG SER 5 -2.896 -6.260 3.958 31 H SER 6 H SER 6 0.932 -6.437 3.122 32 HA SER 6 HA SER 6 2.667 -4.711 4.611 33 1HB SER 6 1HB SER 6 3.769 -6.624 5.255 34 2HB SER 6 2HB SER 6 2.263 -7.361 4.714 35 HG SER 6 HG SER 6 4.789 -7.400 3.538 36 H ASP 7 H ASP 7 2.736 -6.190 1.413 37 HA ASP 7 HA ASP 7 5.311 -5.180 0.708 38 1HB ASP 7 1HB ASP 7 3.573 -7.027 -0.372 39 2HB ASP 7 2HB ASP 7 3.435 -5.686 -1.497 40 H CYS 8 H CYS 8 1.978 -4.215 0.103 41 HA CYS 8 HA CYS 8 2.348 -1.991 -1.506 42 1HB CYS 8 1HB CYS 8 0.138 -2.850 -0.964 43 2HB CYS 8 2HB CYS 8 0.352 -2.430 0.722 44 H ARG 9 H ARG 9 2.193 -2.179 2.016 45 HA ARG 9 HA ARG 9 2.660 0.492 2.601 46 1HB ARG 9 1HB ARG 9 1.988 -0.784 4.421 47 2HB ARG 9 2HB ARG 9 3.157 -2.059 4.090 48 1HG ARG 9 1HG ARG 9 4.964 -0.651 4.823 49 2HG ARG 9 2HG ARG 9 3.858 0.697 5.058 50 1HD ARG 9 1HD ARG 9 3.879 -1.914 6.567 51 2HD ARG 9 2HD ARG 9 4.345 -0.334 7.194 52 HE ARG 9 HE ARG 9 1.799 0.071 6.422 53 1HH1 ARG 9 1HH1 ARG 9 3.292 -2.369 8.437 54 2HH1 ARG 9 2HH1 ARG 9 1.869 -2.631 9.386 55 1HH2 ARG 9 1HH2 ARG 9 -0.073 -0.276 7.672 56 2HH2 ARG 9 2HH2 ARG 9 -0.045 -1.444 8.951 57 H VAL 10 H VAL 10 5.044 -2.163 2.256 58 HA VAL 10 HA VAL 10 7.318 -0.661 2.859 59 HB VAL 10 HB VAL 10 7.096 -2.955 0.894 60 1HG1 VAL 10 1HG1 VAL 10 9.473 -3.270 1.185 61 2HG1 VAL 10 2HG1 VAL 10 9.544 -1.924 2.325 62 3HG1 VAL 10 3HG1 VAL 10 9.164 -1.624 0.629 63 1HG2 VAL 10 1HG2 VAL 10 8.258 -3.410 3.558 64 2HG2 VAL 10 2HG2 VAL 10 7.161 -4.413 2.609 65 3HG2 VAL 10 3HG2 VAL 10 6.530 -3.059 3.543 66 H LYS 11 H LYS 11 5.591 -1.058 -0.202 67 HA LYS 11 HA LYS 11 7.429 0.417 -1.777 68 1HB LYS 11 1HB LYS 11 4.475 -0.046 -2.205 69 2HB LYS 11 2HB LYS 11 5.593 0.562 -3.417 70 1HG LYS 11 1HG LYS 11 6.656 -1.499 -3.646 71 2HG LYS 11 2HG LYS 11 6.028 -2.098 -2.109 72 1HD LYS 11 1HD LYS 11 3.765 -2.117 -3.057 73 2HD LYS 11 2HD LYS 11 4.410 -1.545 -4.595 74 1HE LYS 11 1HE LYS 11 5.303 -3.560 -5.129 75 2HE LYS 11 2HE LYS 11 5.658 -3.966 -3.451 76 1HZ LYS 11 1HZ LYS 11 3.928 -5.384 -4.365 77 2HZ LYS 11 2HZ LYS 11 2.968 -4.035 -4.707 78 3HZ LYS 11 3HZ LYS 11 3.319 -4.437 -3.101 79 H CYS 12 H CYS 12 4.784 1.290 0.317 80 HA CYS 12 HA CYS 12 4.637 4.012 -0.642 81 1HB CYS 12 1HB CYS 12 3.384 2.623 1.731 82 2HB CYS 12 2HB CYS 12 3.137 4.326 1.363 83 H VAL 13 H VAL 13 6.014 2.321 2.160 84 HA VAL 13 HA VAL 13 6.912 4.660 3.500 85 HB VAL 13 HB VAL 13 7.912 1.814 3.673 86 1HG1 VAL 13 1HG1 VAL 13 8.703 2.615 5.968 87 2HG1 VAL 13 2HG1 VAL 13 8.512 4.247 5.330 88 3HG1 VAL 13 3HG1 VAL 13 9.642 3.128 4.568 89 1HG2 VAL 13 1HG2 VAL 13 5.843 1.536 4.522 90 2HG2 VAL 13 2HG2 VAL 13 5.636 3.254 4.868 91 3HG2 VAL 13 3HG2 VAL 13 6.568 2.239 5.969 92 H ALA 14 H ALA 14 8.195 2.649 0.956 93 HA ALA 14 HA ALA 14 10.853 3.732 1.046 94 1HB ALA 14 1HB ALA 14 10.185 1.437 0.199 95 2HB ALA 14 2HB ALA 14 11.317 2.353 -0.795 96 3HB ALA 14 3HB ALA 14 9.618 2.260 -1.254 97 H MET 15 H MET 15 7.851 4.489 -0.657 98 HA MET 15 HA MET 15 9.291 6.353 -2.391 99 1HB MET 15 1HB MET 15 7.312 6.541 -3.691 100 2HB MET 15 2HB MET 15 7.516 4.836 -3.316 101 1HG MET 15 1HG MET 15 5.811 4.964 -1.623 102 2HG MET 15 2HG MET 15 5.670 6.703 -1.854 103 1HE MET 15 1HE MET 15 5.366 3.237 -3.810 104 2HE MET 15 2HE MET 15 3.656 3.401 -4.207 105 3HE MET 15 3HE MET 15 4.178 3.431 -2.522 106 H GLY 16 H GLY 16 8.196 6.500 0.675 107 1HA GLY 16 1HA GLY 16 8.344 8.549 1.888 108 2HA GLY 16 2HA GLY 16 7.815 9.408 0.455 109 H PHE 17 H PHE 17 6.554 6.862 2.637 110 HA PHE 17 HA PHE 17 4.176 8.488 3.090 111 1HB PHE 17 1HB PHE 17 4.102 5.724 1.882 112 2HB PHE 17 2HB PHE 17 2.715 6.428 2.710 113 HD1 PHE 17 1HD PHE 17 1.540 8.321 1.761 114 HD2 PHE 17 2HD PHE 17 4.794 6.489 -0.274 115 HE1 PHE 17 1HE PHE 17 0.863 9.450 -0.318 116 HE2 PHE 17 2HE PHE 17 4.123 7.621 -2.361 117 HZ PHE 17 HZ PHE 17 2.157 9.101 -2.384 118 H SER 18 H SER 18 2.742 7.433 4.806 119 HA SER 18 HA SER 18 4.510 6.486 6.916 120 1HB SER 18 1HB SER 18 1.931 7.909 6.822 121 2HB SER 18 2HB SER 18 2.099 6.757 8.145 122 HG SER 18 HG SER 18 3.987 7.838 8.774 123 H SER 19 H SER 19 2.686 4.993 4.632 124 HA SER 19 HA SER 19 2.959 2.425 5.452 125 1HB SER 19 1HB SER 19 0.895 3.729 7.028 126 2HB SER 19 2HB SER 19 0.263 2.335 6.153 127 HG SER 19 HG SER 19 1.343 2.082 8.350 128 H GLY 20 H GLY 20 0.859 1.008 4.658 129 1HA GLY 20 1HA GLY 20 -0.565 2.084 2.430 130 2HA GLY 20 2HA GLY 20 0.829 1.159 1.898 131 H LYS 21 H LYS 21 -1.886 0.505 1.311 132 HA LYS 21 HA LYS 21 -1.901 -2.186 2.362 133 1HB LYS 21 1HB LYS 21 -4.219 -2.162 3.043 134 2HB LYS 21 2HB LYS 21 -3.316 -0.978 3.947 135 1HG LYS 21 1HG LYS 21 -4.184 0.775 2.396 136 2HG LYS 21 2HG LYS 21 -5.206 -0.467 1.674 137 1HD LYS 21 1HD LYS 21 -5.658 -0.708 4.405 138 2HD LYS 21 2HD LYS 21 -5.564 1.031 4.132 139 1HE LYS 21 1HE LYS 21 -7.859 0.126 3.935 140 2HE LYS 21 2HE LYS 21 -7.293 0.917 2.465 141 1HZ LYS 21 1HZ LYS 21 -7.310 -1.012 1.321 142 2HZ LYS 21 2HZ LYS 21 -8.441 -1.476 2.488 143 3HZ LYS 21 3HZ LYS 21 -6.825 -1.950 2.641 144 H CYS 22 H CYS 22 -3.960 -3.279 1.422 145 HA CYS 22 HA CYS 22 -4.204 -2.498 -1.405 146 1HB CYS 22 1HB CYS 22 -3.541 -5.169 -0.220 147 2HB CYS 22 2HB CYS 22 -4.350 -5.070 -1.783 148 H ILE 23 H ILE 23 -6.208 -2.330 -2.133 149 HA ILE 23 HA ILE 23 -8.394 -3.230 -0.424 150 HB ILE 23 HB ILE 23 -8.167 -0.837 -1.261 151 1HG1 ILE 23 1HG1 ILE 23 -10.772 -1.137 -2.162 152 2HG1 ILE 23 2HG1 ILE 23 -10.517 -2.543 -1.135 153 1HG2 ILE 23 1HG2 ILE 23 -8.115 -0.324 -3.412 154 2HG2 ILE 23 2HG2 ILE 23 -9.534 -1.309 -3.759 155 3HG2 ILE 23 3HG2 ILE 23 -7.932 -2.043 -3.744 156 1HD1 ILE 23 1HD1 ILE 23 -11.028 -1.220 0.568 157 2HD1 ILE 23 2HD1 ILE 23 -10.890 0.234 -0.421 158 3HD1 ILE 23 3HD1 ILE 23 -9.453 -0.463 0.330 159 H ASN 24 H ASN 24 -10.112 -3.111 -3.067 160 HA ASN 24 HA ASN 24 -10.557 -5.697 -3.515 161 1HB ASN 24 1HB ASN 24 -11.085 -3.278 -4.938 162 2HB ASN 24 2HB ASN 24 -10.628 -4.520 -6.098 163 1HD2 ASN 24 1HD2 ASN 24 -12.899 -3.633 -3.596 164 2HD2 ASN 24 2HD2 ASN 24 -14.136 -4.747 -4.054 165 H SER 25 H SER 25 -8.106 -3.769 -5.157 166 HA SER 25 HA SER 25 -6.217 -5.801 -5.325 167 1HB SER 25 1HB SER 25 -8.165 -6.276 -7.188 168 2HB SER 25 2HB SER 25 -7.011 -5.329 -8.125 169 HG SER 25 HG SER 25 -5.936 -7.122 -8.278 170 H LYS 26 H LYS 26 -6.385 -3.056 -4.630 171 HA LYS 26 HA LYS 26 -4.297 -2.004 -6.390 172 1HB LYS 26 1HB LYS 26 -6.894 -0.641 -5.742 173 2HB LYS 26 2HB LYS 26 -5.457 0.289 -6.144 174 1HG LYS 26 1HG LYS 26 -5.326 -1.076 -8.268 175 2HG LYS 26 2HG LYS 26 -6.945 -1.661 -7.876 176 1HD LYS 26 1HD LYS 26 -7.921 0.383 -8.239 177 2HD LYS 26 2HD LYS 26 -6.453 1.277 -7.848 178 1HE LYS 26 1HE LYS 26 -6.581 -0.450 -10.293 179 2HE LYS 26 2HE LYS 26 -7.266 1.174 -10.310 180 1HZ LYS 26 1HZ LYS 26 -5.221 2.139 -10.121 181 2HZ LYS 26 2HZ LYS 26 -4.792 0.754 -10.991 182 3HZ LYS 26 3HZ LYS 26 -4.524 0.820 -9.323 183 H CYS 27 H CYS 27 -2.616 -1.422 -5.223 184 HA CYS 27 HA CYS 27 -2.670 -1.230 -2.403 185 1HB CYS 27 1HB CYS 27 -0.705 -2.101 -3.286 186 2HB CYS 27 2HB CYS 27 -0.615 -0.894 -4.549 187 H LYS 28 H LYS 28 -2.793 0.443 -1.167 188 HA LYS 28 HA LYS 28 -2.758 3.149 -2.326 189 1HB LYS 28 1HB LYS 28 -4.260 3.490 -0.102 190 2HB LYS 28 2HB LYS 28 -4.931 3.180 -1.694 191 1HG LYS 28 1HG LYS 28 -5.056 0.785 -1.153 192 2HG LYS 28 2HG LYS 28 -4.419 1.135 0.455 193 1HD LYS 28 1HD LYS 28 -6.784 0.956 0.654 194 2HD LYS 28 2HD LYS 28 -6.377 2.666 0.796 195 1HE LYS 28 1HE LYS 28 -6.782 2.325 -1.913 196 2HE LYS 28 2HE LYS 28 -8.002 1.281 -1.188 197 1HZ LYS 28 1HZ LYS 28 -7.618 4.181 -0.667 198 2HZ LYS 28 2HZ LYS 28 -8.720 3.199 0.161 199 3HZ LYS 28 3HZ LYS 28 -8.908 3.463 -1.498 200 H CYS 29 H CYS 29 -2.036 4.845 -0.852 201 HA CYS 29 HA CYS 29 -0.096 3.782 1.084 202 1HB CYS 29 1HB CYS 29 -0.060 6.309 -0.558 203 2HB CYS 29 2HB CYS 29 1.061 6.002 0.763 204 H TYR 30 H TYR 30 0.209 4.788 3.059 205 HA TYR 30 HA TYR 30 -2.175 6.109 4.111 206 1HB TYR 30 1HB TYR 30 0.198 4.796 5.440 207 2HB TYR 30 2HB TYR 30 -1.030 5.678 6.336 208 HD1 TYR 30 1HD TYR 30 -1.237 3.506 7.589 209 HD2 TYR 30 2HD TYR 30 -2.312 3.864 3.489 210 HE1 TYR 30 1HE TYR 30 -2.584 1.459 7.769 211 HE2 TYR 30 2HE TYR 30 -3.656 1.825 3.656 212 HH TYR 30 HH TYR 30 -3.370 -0.388 5.931 213 H LYS 31 H LYS 31 -1.198 7.951 2.659 214 HA LYS 31 HA LYS 31 1.001 9.447 3.561 215 1HB LYS 31 1HB LYS 31 -0.167 11.370 2.340 216 2HB LYS 31 2HB LYS 31 0.253 9.954 1.392 217 1HG LYS 31 1HG LYS 31 -1.986 9.219 1.310 218 2HG LYS 31 2HG LYS 31 -2.480 10.353 2.567 219 1HD LYS 31 1HD LYS 31 -3.167 11.602 0.822 220 2HD LYS 31 2HD LYS 31 -1.465 12.061 0.732 221 1HE LYS 31 1HE LYS 31 -1.110 10.883 -1.164 222 2HE LYS 31 2HE LYS 31 -2.187 9.576 -0.675 223 1HZ LYS 31 1HZ LYS 31 -3.564 10.408 -2.199 224 2HZ LYS 31 2HZ LYS 31 -2.727 11.872 -2.312 225 3HZ LYS 31 3HZ LYS 31 -3.883 11.652 -1.098 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -3.172 -12.233 -9.425 2 2H ALA 1 2H ALA 1 -2.449 -11.691 -10.884 3 3H ALA 1 3H ALA 1 -3.865 -10.924 -10.289 4 HA ALA 1 HA ALA 1 -1.139 -10.866 -9.203 5 1HB ALA 1 1HB ALA 1 -1.067 -8.702 -9.855 6 2HB ALA 1 2HB ALA 1 -2.786 -8.437 -9.560 7 3HB ALA 1 3HB ALA 1 -2.260 -9.255 -11.030 8 H ALA 2 H ALA 2 -1.154 -11.343 -7.094 9 HA ALA 2 HA ALA 2 -3.446 -10.646 -5.438 10 1HB ALA 2 1HB ALA 2 -1.216 -12.540 -5.248 11 2HB ALA 2 2HB ALA 2 -2.861 -12.651 -4.625 12 3HB ALA 2 3HB ALA 2 -1.638 -11.756 -3.725 13 H CYS 3 H CYS 3 -3.561 -8.808 -4.359 14 HA CYS 3 HA CYS 3 -1.199 -7.132 -4.069 15 1HB CYS 3 1HB CYS 3 -3.562 -6.367 -4.840 16 2HB CYS 3 2HB CYS 3 -3.957 -6.390 -3.126 17 H TYR 4 H TYR 4 -0.085 -6.867 -2.218 18 HA TYR 4 HA TYR 4 -1.259 -7.957 0.262 19 1HB TYR 4 1HB TYR 4 1.416 -8.227 -0.940 20 2HB TYR 4 2HB TYR 4 1.423 -7.854 0.776 21 HD1 TYR 4 1HD TYR 4 -0.079 -10.225 -1.680 22 HD2 TYR 4 2HD TYR 4 1.173 -9.560 2.331 23 HE1 TYR 4 1HE TYR 4 -0.505 -12.590 -1.160 24 HE2 TYR 4 2HE TYR 4 0.752 -11.921 2.862 25 HH TYR 4 HH TYR 4 -0.943 -13.795 1.700 26 H SER 5 H SER 5 -1.461 -6.652 1.974 27 HA SER 5 HA SER 5 -1.032 -3.869 1.723 28 1HB SER 5 1HB SER 5 -1.413 -5.254 4.372 29 2HB SER 5 2HB SER 5 -1.960 -3.652 3.879 30 HG SER 5 HG SER 5 -3.563 -5.445 3.946 31 H SER 6 H SER 6 0.919 -6.463 3.027 32 HA SER 6 HA SER 6 2.707 -4.797 4.503 33 1HB SER 6 1HB SER 6 2.611 -7.122 5.108 34 2HB SER 6 2HB SER 6 2.963 -7.627 3.456 35 HG SER 6 HG SER 6 4.741 -6.184 5.142 36 H ASP 7 H ASP 7 2.712 -6.179 1.243 37 HA ASP 7 HA ASP 7 5.277 -5.187 0.511 38 1HB ASP 7 1HB ASP 7 3.481 -6.917 -0.630 39 2HB ASP 7 2HB ASP 7 3.292 -5.499 -1.649 40 H CYS 8 H CYS 8 1.959 -4.084 -0.007 41 HA CYS 8 HA CYS 8 2.393 -1.780 -1.471 42 1HB CYS 8 1HB CYS 8 0.158 -2.629 -0.907 43 2HB CYS 8 2HB CYS 8 0.410 -2.194 0.773 44 H ARG 9 H ARG 9 2.274 -2.148 2.044 45 HA ARG 9 HA ARG 9 2.848 0.460 2.759 46 1HB ARG 9 1HB ARG 9 2.101 -1.148 4.398 47 2HB ARG 9 2HB ARG 9 3.559 -2.111 4.174 48 1HG ARG 9 1HG ARG 9 4.743 0.124 4.818 49 2HG ARG 9 2HG ARG 9 3.188 0.477 5.569 50 1HD ARG 9 1HD ARG 9 3.536 -1.988 6.516 51 2HD ARG 9 2HD ARG 9 5.230 -1.559 6.282 52 HE ARG 9 HE ARG 9 3.933 0.527 7.647 53 1HH1 ARG 9 1HH1 ARG 9 4.970 -2.774 8.180 54 2HH1 ARG 9 2HH1 ARG 9 5.186 -2.562 9.884 55 1HH2 ARG 9 1HH2 ARG 9 4.221 0.805 9.891 56 2HH2 ARG 9 2HH2 ARG 9 4.761 -0.527 10.859 57 H VAL 10 H VAL 10 5.127 -2.248 2.200 58 HA VAL 10 HA VAL 10 7.478 -0.873 2.831 59 HB VAL 10 HB VAL 10 7.112 -3.013 0.721 60 1HG1 VAL 10 1HG1 VAL 10 9.627 -2.128 2.132 61 2HG1 VAL 10 2HG1 VAL 10 9.218 -1.786 0.452 62 3HG1 VAL 10 3HG1 VAL 10 9.495 -3.448 0.972 63 1HG2 VAL 10 1HG2 VAL 10 6.811 -4.451 2.381 64 2HG2 VAL 10 2HG2 VAL 10 6.917 -3.140 3.556 65 3HG2 VAL 10 3HG2 VAL 10 8.375 -3.999 3.059 66 H LYS 11 H LYS 11 5.671 -1.055 -0.208 67 HA LYS 11 HA LYS 11 7.495 0.494 -1.732 68 1HB LYS 11 1HB LYS 11 4.533 0.047 -2.131 69 2HB LYS 11 2HB LYS 11 5.619 0.738 -3.329 70 1HG LYS 11 1HG LYS 11 6.855 -1.359 -3.438 71 2HG LYS 11 2HG LYS 11 5.799 -2.054 -2.208 72 1HD LYS 11 1HD LYS 11 4.625 -2.815 -3.971 73 2HD LYS 11 2HD LYS 11 3.979 -1.172 -4.023 74 1HE LYS 11 1HE LYS 11 6.510 -1.344 -5.406 75 2HE LYS 11 2HE LYS 11 5.359 -2.513 -6.047 76 1HZ LYS 11 1HZ LYS 11 3.780 -0.445 -5.997 77 2HZ LYS 11 2HZ LYS 11 4.851 -0.681 -7.285 78 3HZ LYS 11 3HZ LYS 11 5.236 0.416 -6.058 79 H CYS 12 H CYS 12 4.879 1.280 0.437 80 HA CYS 12 HA CYS 12 4.762 4.047 -0.369 81 1HB CYS 12 1HB CYS 12 3.569 2.641 2.027 82 2HB CYS 12 2HB CYS 12 3.242 4.308 1.569 83 H VAL 13 H VAL 13 6.279 2.165 2.229 84 HA VAL 13 HA VAL 13 7.155 4.342 3.792 85 HB VAL 13 HB VAL 13 8.360 1.593 3.459 86 1HG1 VAL 13 1HG1 VAL 13 9.172 3.907 5.092 87 2HG1 VAL 13 2HG1 VAL 13 10.119 2.538 4.511 88 3HG1 VAL 13 3HG1 VAL 13 9.102 2.362 5.940 89 1HG2 VAL 13 1HG2 VAL 13 6.920 2.330 5.922 90 2HG2 VAL 13 2HG2 VAL 13 6.925 0.817 5.015 91 3HG2 VAL 13 3HG2 VAL 13 5.930 2.167 4.471 92 H ALA 14 H ALA 14 8.499 2.754 0.955 93 HA ALA 14 HA ALA 14 10.956 4.291 1.047 94 1HB ALA 14 1HB ALA 14 11.772 2.860 -0.496 95 2HB ALA 14 2HB ALA 14 10.243 2.753 -1.368 96 3HB ALA 14 3HB ALA 14 10.474 1.842 0.124 97 H MET 15 H MET 15 7.816 4.554 -0.441 98 HA MET 15 HA MET 15 8.779 6.500 -2.399 99 1HB MET 15 1HB MET 15 6.088 5.222 -1.935 100 2HB MET 15 2HB MET 15 6.315 6.552 -3.061 101 1HG MET 15 1HG MET 15 7.893 4.006 -3.237 102 2HG MET 15 2HG MET 15 6.329 4.212 -4.021 103 1HE MET 15 1HE MET 15 9.600 3.741 -4.997 104 2HE MET 15 2HE MET 15 9.515 4.479 -6.597 105 3HE MET 15 3HE MET 15 8.247 3.375 -6.068 106 H GLY 16 H GLY 16 8.454 6.823 0.700 107 1HA GLY 16 1HA GLY 16 8.228 8.722 1.991 108 2HA GLY 16 2HA GLY 16 7.745 9.602 0.553 109 H PHE 17 H PHE 17 6.475 7.067 2.719 110 HA PHE 17 HA PHE 17 3.997 8.588 3.012 111 1HB PHE 17 1HB PHE 17 4.105 5.732 2.022 112 2HB PHE 17 2HB PHE 17 2.643 6.496 2.637 113 HD1 PHE 17 1HD PHE 17 4.969 6.254 -0.141 114 HD2 PHE 17 2HD PHE 17 1.551 8.260 1.383 115 HE1 PHE 17 1HE PHE 17 4.482 7.118 -2.394 116 HE2 PHE 17 2HE PHE 17 1.053 9.134 -0.865 117 HZ PHE 17 HZ PHE 17 2.521 8.562 -2.758 118 H SER 18 H SER 18 2.543 7.465 4.710 119 HA SER 18 HA SER 18 4.286 6.712 6.921 120 1HB SER 18 1HB SER 18 1.865 8.227 6.703 121 2HB SER 18 2HB SER 18 1.607 6.889 7.823 122 HG SER 18 HG SER 18 3.498 7.593 8.938 123 H SER 19 H SER 19 2.604 5.057 4.635 124 HA SER 19 HA SER 19 3.006 2.526 5.471 125 1HB SER 19 1HB SER 19 0.822 3.700 7.027 126 2HB SER 19 2HB SER 19 0.381 2.190 6.231 127 HG SER 19 HG SER 19 2.359 2.675 8.164 128 H GLY 20 H GLY 20 0.963 0.985 4.711 129 1HA GLY 20 1HA GLY 20 -0.496 2.013 2.466 130 2HA GLY 20 2HA GLY 20 0.908 1.088 1.959 131 H LYS 21 H LYS 21 -1.828 0.435 1.395 132 HA LYS 21 HA LYS 21 -1.858 -2.242 2.532 133 1HB LYS 21 1HB LYS 21 -4.187 -2.173 3.152 134 2HB LYS 21 2HB LYS 21 -3.334 -0.901 3.992 135 1HG LYS 21 1HG LYS 21 -4.142 0.678 2.201 136 2HG LYS 21 2HG LYS 21 -5.176 -0.634 1.642 137 1HD LYS 21 1HD LYS 21 -5.617 -0.498 4.392 138 2HD LYS 21 2HD LYS 21 -5.534 1.181 3.863 139 1HE LYS 21 1HE LYS 21 -7.686 0.931 3.318 140 2HE LYS 21 2HE LYS 21 -7.086 0.040 1.920 141 1HZ LYS 21 1HZ LYS 21 -7.140 -1.912 3.691 142 2HZ LYS 21 2HZ LYS 21 -8.488 -1.507 2.754 143 3HZ LYS 21 3HZ LYS 21 -8.370 -0.950 4.346 144 H CYS 22 H CYS 22 -4.062 -3.239 1.560 145 HA CYS 22 HA CYS 22 -4.129 -2.599 -1.302 146 1HB CYS 22 1HB CYS 22 -3.555 -5.220 0.015 147 2HB CYS 22 2HB CYS 22 -4.333 -5.189 -1.568 148 H ILE 23 H ILE 23 -6.113 -2.411 -2.097 149 HA ILE 23 HA ILE 23 -8.358 -3.287 -0.443 150 HB ILE 23 HB ILE 23 -8.061 -0.864 -1.158 151 1HG1 ILE 23 1HG1 ILE 23 -10.641 -0.972 -2.058 152 2HG1 ILE 23 2HG1 ILE 23 -10.473 -2.519 -1.236 153 1HG2 ILE 23 1HG2 ILE 23 -7.936 -0.262 -3.276 154 2HG2 ILE 23 2HG2 ILE 23 -9.408 -1.145 -3.679 155 3HG2 ILE 23 3HG2 ILE 23 -7.849 -1.970 -3.701 156 1HD1 ILE 23 1HD1 ILE 23 -9.345 -0.767 0.541 157 2HD1 ILE 23 2HD1 ILE 23 -10.989 -1.406 0.614 158 3HD1 ILE 23 3HD1 ILE 23 -10.683 0.159 -0.140 159 H ASN 24 H ASN 24 -10.016 -2.983 -3.108 160 HA ASN 24 HA ASN 24 -10.550 -5.522 -3.678 161 1HB ASN 24 1HB ASN 24 -10.958 -3.023 -5.005 162 2HB ASN 24 2HB ASN 24 -10.563 -4.247 -6.209 163 1HD2 ASN 24 1HD2 ASN 24 -12.503 -4.068 -3.226 164 2HD2 ASN 24 2HD2 ASN 24 -13.902 -4.822 -3.902 165 H SER 25 H SER 25 -7.988 -3.649 -5.225 166 HA SER 25 HA SER 25 -6.210 -5.767 -5.434 167 1HB SER 25 1HB SER 25 -8.164 -6.106 -7.313 168 2HB SER 25 2HB SER 25 -6.953 -5.210 -8.227 169 HG SER 25 HG SER 25 -6.592 -7.655 -6.830 170 H LYS 26 H LYS 26 -6.270 -2.966 -4.755 171 HA LYS 26 HA LYS 26 -4.014 -2.126 -6.396 172 1HB LYS 26 1HB LYS 26 -4.861 -0.010 -6.973 173 2HB LYS 26 2HB LYS 26 -6.155 -1.142 -7.333 174 1HG LYS 26 1HG LYS 26 -6.999 -0.511 -4.951 175 2HG LYS 26 2HG LYS 26 -5.981 0.912 -5.179 176 1HD LYS 26 1HD LYS 26 -8.111 1.556 -5.941 177 2HD LYS 26 2HD LYS 26 -7.187 1.217 -7.405 178 1HE LYS 26 1HE LYS 26 -8.330 -0.750 -7.829 179 2HE LYS 26 2HE LYS 26 -8.826 -0.945 -6.149 180 1HZ LYS 26 1HZ LYS 26 -10.365 0.890 -6.420 181 2HZ LYS 26 2HZ LYS 26 -10.678 -0.305 -7.574 182 3HZ LYS 26 3HZ LYS 26 -9.872 1.112 -8.023 183 H CYS 27 H CYS 27 -2.411 -1.504 -5.164 184 HA CYS 27 HA CYS 27 -2.556 -1.276 -2.377 185 1HB CYS 27 1HB CYS 27 -0.517 -2.019 -3.163 186 2HB CYS 27 2HB CYS 27 -0.490 -0.880 -4.491 187 H LYS 28 H LYS 28 -2.736 0.367 -1.111 188 HA LYS 28 HA LYS 28 -2.815 3.086 -2.214 189 1HB LYS 28 1HB LYS 28 -4.423 3.387 -0.122 190 2HB LYS 28 2HB LYS 28 -5.032 2.903 -1.692 191 1HG LYS 28 1HG LYS 28 -4.278 0.570 -0.228 192 2HG LYS 28 2HG LYS 28 -5.296 1.587 0.787 193 1HD LYS 28 1HD LYS 28 -6.176 1.222 -2.012 194 2HD LYS 28 2HD LYS 28 -6.271 -0.196 -0.965 195 1HE LYS 28 1HE LYS 28 -8.005 0.633 0.183 196 2HE LYS 28 2HE LYS 28 -7.268 2.228 0.310 197 1HZ LYS 28 1HZ LYS 28 -8.383 2.980 -1.474 198 2HZ LYS 28 2HZ LYS 28 -9.451 1.716 -1.123 199 3HZ LYS 28 3HZ LYS 28 -8.272 1.518 -2.321 200 H CYS 29 H CYS 29 -1.746 4.651 -1.070 201 HA CYS 29 HA CYS 29 -0.062 3.671 1.100 202 1HB CYS 29 1HB CYS 29 0.115 6.100 -0.674 203 2HB CYS 29 2HB CYS 29 1.147 5.873 0.734 204 H TYR 30 H TYR 30 0.223 4.768 3.021 205 HA TYR 30 HA TYR 30 -2.155 6.164 3.971 206 1HB TYR 30 1HB TYR 30 0.181 4.912 5.428 207 2HB TYR 30 2HB TYR 30 -1.122 5.778 6.228 208 HD1 TYR 30 1HD TYR 30 -1.257 3.580 7.503 209 HD2 TYR 30 2HD TYR 30 -2.263 3.915 3.384 210 HE1 TYR 30 1HE TYR 30 -2.566 1.508 7.657 211 HE2 TYR 30 2HE TYR 30 -3.566 1.849 3.520 212 HH TYR 30 HH TYR 30 -4.661 0.549 6.231 213 H LYS 31 H LYS 31 -1.188 7.957 2.512 214 HA LYS 31 HA LYS 31 1.033 9.450 3.151 215 1HB LYS 31 1HB LYS 31 -1.328 9.804 1.579 216 2HB LYS 31 2HB LYS 31 -1.038 11.281 2.488 217 1HG LYS 31 1HG LYS 31 1.384 10.232 1.298 218 2HG LYS 31 2HG LYS 31 0.133 10.567 0.101 219 1HD LYS 31 1HD LYS 31 -0.104 12.839 1.007 220 2HD LYS 31 2HD LYS 31 1.168 12.496 2.180 221 1HE LYS 31 1HE LYS 31 2.825 12.444 0.557 222 2HE LYS 31 2HE LYS 31 1.679 12.142 -0.748 223 1HZ LYS 31 1HZ LYS 31 2.652 14.621 0.258 224 2HZ LYS 31 2HZ LYS 31 0.961 14.584 0.296 225 3HZ LYS 31 3HZ LYS 31 1.780 14.307 -1.156 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -3.217 -11.862 -10.059 2 2H ALA 1 2H ALA 1 -1.846 -11.420 -10.992 3 3H ALA 1 3H ALA 1 -2.840 -10.207 -10.291 4 HA ALA 1 HA ALA 1 -1.327 -12.211 -8.761 5 1HB ALA 1 1HB ALA 1 -0.117 -10.315 -10.217 6 2HB ALA 1 2HB ALA 1 0.478 -10.855 -8.647 7 3HB ALA 1 3HB ALA 1 -0.482 -9.379 -8.766 8 H ALA 2 H ALA 2 -1.341 -11.847 -6.521 9 HA ALA 2 HA ALA 2 -3.718 -10.453 -5.585 10 1HB ALA 2 1HB ALA 2 -3.653 -11.785 -3.714 11 2HB ALA 2 2HB ALA 2 -1.899 -11.950 -3.754 12 3HB ALA 2 3HB ALA 2 -2.896 -12.841 -4.904 13 H CYS 3 H CYS 3 -3.742 -8.675 -4.316 14 HA CYS 3 HA CYS 3 -1.266 -7.183 -4.075 15 1HB CYS 3 1HB CYS 3 -3.538 -6.221 -4.805 16 2HB CYS 3 2HB CYS 3 -3.981 -6.292 -3.103 17 H TYR 4 H TYR 4 -0.079 -6.970 -2.265 18 HA TYR 4 HA TYR 4 -1.201 -8.041 0.241 19 1HB TYR 4 1HB TYR 4 1.443 -8.267 -1.028 20 2HB TYR 4 2HB TYR 4 1.494 -7.899 0.687 21 HD1 TYR 4 1HD TYR 4 1.962 -9.786 1.913 22 HD2 TYR 4 2HD TYR 4 -0.687 -10.117 -1.402 23 HE1 TYR 4 1HE TYR 4 1.597 -12.155 2.447 24 HE2 TYR 4 2HE TYR 4 -1.059 -12.489 -0.875 25 HH TYR 4 HH TYR 4 0.884 -14.252 1.156 26 H SER 5 H SER 5 -1.476 -6.710 1.911 27 HA SER 5 HA SER 5 -1.036 -3.932 1.669 28 1HB SER 5 1HB SER 5 -1.619 -5.541 4.165 29 2HB SER 5 2HB SER 5 -1.781 -3.792 4.005 30 HG SER 5 HG SER 5 -3.778 -4.875 3.720 31 H SER 6 H SER 6 0.936 -6.515 2.938 32 HA SER 6 HA SER 6 2.677 -4.816 4.460 33 1HB SER 6 1HB SER 6 2.419 -7.660 3.961 34 2HB SER 6 2HB SER 6 4.099 -7.154 3.796 35 HG SER 6 HG SER 6 4.026 -6.316 5.871 36 H ASP 7 H ASP 7 2.712 -6.236 1.223 37 HA ASP 7 HA ASP 7 5.304 -5.261 0.528 38 1HB ASP 7 1HB ASP 7 3.549 -7.032 -0.616 39 2HB ASP 7 2HB ASP 7 3.364 -5.636 -1.663 40 H CYS 8 H CYS 8 1.991 -4.203 -0.038 41 HA CYS 8 HA CYS 8 2.381 -1.929 -1.554 42 1HB CYS 8 1HB CYS 8 0.162 -2.744 -0.991 43 2HB CYS 8 2HB CYS 8 0.429 -2.403 0.707 44 H ARG 9 H ARG 9 2.269 -2.199 1.967 45 HA ARG 9 HA ARG 9 2.816 0.420 2.642 46 1HB ARG 9 1HB ARG 9 2.144 -1.056 4.365 47 2HB ARG 9 2HB ARG 9 3.471 -2.164 4.036 48 1HG ARG 9 1HG ARG 9 5.022 -0.839 5.065 49 2HG ARG 9 2HG ARG 9 4.067 0.629 4.846 50 1HD ARG 9 1HD ARG 9 2.733 0.191 6.669 51 2HD ARG 9 2HD ARG 9 2.982 -1.550 6.566 52 HE ARG 9 HE ARG 9 5.406 -0.267 7.227 53 1HH1 ARG 9 1HH1 ARG 9 2.307 -1.088 8.626 54 2HH1 ARG 9 2HH1 ARG 9 2.920 -1.183 10.242 55 1HH2 ARG 9 1HH2 ARG 9 6.212 -0.390 9.359 56 2HH2 ARG 9 2HH2 ARG 9 5.139 -0.785 10.657 57 H VAL 10 H VAL 10 5.135 -2.236 2.029 58 HA VAL 10 HA VAL 10 7.475 -0.857 2.657 59 HB VAL 10 HB VAL 10 7.090 -2.927 0.482 60 1HG1 VAL 10 1HG1 VAL 10 9.484 -1.546 1.525 61 2HG1 VAL 10 2HG1 VAL 10 9.174 -2.237 -0.066 62 3HG1 VAL 10 3HG1 VAL 10 9.626 -3.285 1.278 63 1HG2 VAL 10 1HG2 VAL 10 7.051 -3.126 3.350 64 2HG2 VAL 10 2HG2 VAL 10 8.398 -4.052 2.689 65 3HG2 VAL 10 3HG2 VAL 10 6.754 -4.369 2.136 66 H LYS 11 H LYS 11 5.659 -0.973 -0.390 67 HA LYS 11 HA LYS 11 7.440 0.649 -1.875 68 1HB LYS 11 1HB LYS 11 4.579 -0.168 -2.177 69 2HB LYS 11 2HB LYS 11 5.206 1.124 -3.190 70 1HG LYS 11 1HG LYS 11 5.896 -0.439 -4.595 71 2HG LYS 11 2HG LYS 11 7.103 -0.896 -3.390 72 1HD LYS 11 1HD LYS 11 4.878 -2.166 -2.457 73 2HD LYS 11 2HD LYS 11 4.634 -2.257 -4.201 74 1HE LYS 11 1HE LYS 11 5.833 -4.199 -3.638 75 2HE LYS 11 2HE LYS 11 7.021 -3.104 -4.341 76 1HZ LYS 11 1HZ LYS 11 7.860 -4.170 -2.339 77 2HZ LYS 11 2HZ LYS 11 6.581 -3.532 -1.434 78 3HZ LYS 11 3HZ LYS 11 7.732 -2.496 -2.115 79 H CYS 12 H CYS 12 4.822 1.339 0.325 80 HA CYS 12 HA CYS 12 4.673 4.124 -0.354 81 1HB CYS 12 1HB CYS 12 3.586 2.618 2.030 82 2HB CYS 12 2HB CYS 12 3.225 4.298 1.650 83 H VAL 13 H VAL 13 6.291 2.189 2.137 84 HA VAL 13 HA VAL 13 7.206 4.330 3.722 85 HB VAL 13 HB VAL 13 8.423 1.605 3.264 86 1HG1 VAL 13 1HG1 VAL 13 10.216 2.602 4.234 87 2HG1 VAL 13 2HG1 VAL 13 9.300 2.274 5.705 88 3HG1 VAL 13 3HG1 VAL 13 9.246 3.877 4.970 89 1HG2 VAL 13 1HG2 VAL 13 6.218 2.602 4.917 90 2HG2 VAL 13 2HG2 VAL 13 7.382 1.598 5.781 91 3HG2 VAL 13 3HG2 VAL 13 6.567 0.969 4.351 92 H ALA 14 H ALA 14 8.431 2.856 0.780 93 HA ALA 14 HA ALA 14 10.886 4.401 0.825 94 1HB ALA 14 1HB ALA 14 11.618 3.088 -0.902 95 2HB ALA 14 2HB ALA 14 9.995 2.852 -1.552 96 3HB ALA 14 3HB ALA 14 10.499 1.988 -0.099 97 H MET 15 H MET 15 7.687 4.683 -0.515 98 HA MET 15 HA MET 15 8.545 6.687 -2.460 99 1HB MET 15 1HB MET 15 5.880 5.391 -1.892 100 2HB MET 15 2HB MET 15 6.056 6.739 -3.006 101 1HG MET 15 1HG MET 15 7.904 4.523 -3.488 102 2HG MET 15 2HG MET 15 6.201 4.115 -3.683 103 1HE MET 15 1HE MET 15 9.228 5.133 -5.191 104 2HE MET 15 2HE MET 15 8.967 6.865 -4.978 105 3HE MET 15 3HE MET 15 8.874 6.150 -6.588 106 H GLY 16 H GLY 16 8.364 6.916 0.664 107 1HA GLY 16 1HA GLY 16 8.193 8.781 2.016 108 2HA GLY 16 2HA GLY 16 7.623 9.693 0.629 109 H PHE 17 H PHE 17 6.493 7.051 2.749 110 HA PHE 17 HA PHE 17 4.027 8.538 3.226 111 1HB PHE 17 1HB PHE 17 4.094 5.734 2.096 112 2HB PHE 17 2HB PHE 17 2.660 6.466 2.809 113 HD1 PHE 17 1HD PHE 17 4.821 6.302 -0.089 114 HD2 PHE 17 2HD PHE 17 1.560 8.350 1.704 115 HE1 PHE 17 1HE PHE 17 4.244 7.278 -2.273 116 HE2 PHE 17 2HE PHE 17 0.972 9.336 -0.472 117 HZ PHE 17 HZ PHE 17 2.315 8.800 -2.466 118 H SER 18 H SER 18 2.656 7.353 4.928 119 HA SER 18 HA SER 18 4.490 6.469 7.021 120 1HB SER 18 1HB SER 18 1.876 7.835 6.985 121 2HB SER 18 2HB SER 18 2.098 6.674 8.293 122 HG SER 18 HG SER 18 3.382 8.041 9.218 123 H SER 19 H SER 19 2.691 4.954 4.745 124 HA SER 19 HA SER 19 3.013 2.386 5.525 125 1HB SER 19 1HB SER 19 0.935 3.627 7.146 126 2HB SER 19 2HB SER 19 0.344 2.210 6.279 127 HG SER 19 HG SER 19 1.280 1.739 8.353 128 H GLY 20 H GLY 20 0.980 0.913 4.703 129 1HA GLY 20 1HA GLY 20 -0.464 2.070 2.498 130 2HA GLY 20 2HA GLY 20 0.877 1.065 1.983 131 H LYS 21 H LYS 21 -1.824 0.509 1.350 132 HA LYS 21 HA LYS 21 -2.062 -2.115 2.570 133 1HB LYS 21 1HB LYS 21 -4.450 -1.863 3.001 134 2HB LYS 21 2HB LYS 21 -3.517 -0.722 3.936 135 1HG LYS 21 1HG LYS 21 -4.037 0.998 2.170 136 2HG LYS 21 2HG LYS 21 -5.167 -0.175 1.491 137 1HD LYS 21 1HD LYS 21 -6.449 -0.199 3.531 138 2HD LYS 21 2HD LYS 21 -5.262 0.828 4.336 139 1HE LYS 21 1HE LYS 21 -6.609 2.517 3.739 140 2HE LYS 21 2HE LYS 21 -5.896 2.320 2.140 141 1HZ LYS 21 1HZ LYS 21 -8.336 2.368 2.099 142 2HZ LYS 21 2HZ LYS 21 -8.381 0.977 3.059 143 3HZ LYS 21 3HZ LYS 21 -7.720 0.910 1.503 144 H CYS 22 H CYS 22 -4.146 -3.124 1.547 145 HA CYS 22 HA CYS 22 -4.135 -2.560 -1.337 146 1HB CYS 22 1HB CYS 22 -3.737 -5.169 0.081 147 2HB CYS 22 2HB CYS 22 -4.402 -5.132 -1.552 148 H ILE 23 H ILE 23 -6.079 -2.312 -2.191 149 HA ILE 23 HA ILE 23 -8.407 -3.070 -0.595 150 HB ILE 23 HB ILE 23 -7.981 -0.671 -1.365 151 1HG1 ILE 23 1HG1 ILE 23 -10.574 -0.761 -2.307 152 2HG1 ILE 23 2HG1 ILE 23 -10.439 -2.233 -1.349 153 1HG2 ILE 23 1HG2 ILE 23 -7.758 -1.832 -3.862 154 2HG2 ILE 23 2HG2 ILE 23 -7.874 -0.111 -3.501 155 3HG2 ILE 23 3HG2 ILE 23 -9.326 -1.027 -3.898 156 1HD1 ILE 23 1HD1 ILE 23 -10.892 -0.969 0.414 157 2HD1 ILE 23 2HD1 ILE 23 -10.635 0.520 -0.496 158 3HD1 ILE 23 3HD1 ILE 23 -9.265 -0.311 0.239 159 H ASN 24 H ASN 24 -10.016 -2.792 -3.261 160 HA ASN 24 HA ASN 24 -10.574 -5.333 -3.800 161 1HB ASN 24 1HB ASN 24 -10.969 -2.859 -5.167 162 2HB ASN 24 2HB ASN 24 -10.554 -4.089 -6.352 163 1HD2 ASN 24 1HD2 ASN 24 -13.053 -2.650 -4.836 164 2HD2 ASN 24 2HD2 ASN 24 -14.239 -3.900 -4.957 165 H SER 25 H SER 25 -7.948 -3.519 -5.322 166 HA SER 25 HA SER 25 -6.255 -5.722 -5.537 167 1HB SER 25 1HB SER 25 -6.345 -6.347 -7.799 168 2HB SER 25 2HB SER 25 -8.033 -6.234 -7.309 169 HG SER 25 HG SER 25 -8.310 -4.658 -8.673 170 H LYS 26 H LYS 26 -6.294 -2.865 -4.879 171 HA LYS 26 HA LYS 26 -3.933 -2.105 -6.410 172 1HB LYS 26 1HB LYS 26 -4.720 0.150 -6.764 173 2HB LYS 26 2HB LYS 26 -5.865 -0.991 -7.448 174 1HG LYS 26 1HG LYS 26 -7.358 -0.682 -5.582 175 2HG LYS 26 2HG LYS 26 -6.192 0.375 -4.784 176 1HD LYS 26 1HD LYS 26 -7.176 2.092 -5.811 177 2HD LYS 26 2HD LYS 26 -6.540 1.466 -7.334 178 1HE LYS 26 1HE LYS 26 -9.112 0.450 -6.165 179 2HE LYS 26 2HE LYS 26 -9.067 1.909 -7.152 180 1HZ LYS 26 1HZ LYS 26 -9.418 -0.527 -8.151 181 2HZ LYS 26 2HZ LYS 26 -7.736 -0.420 -8.273 182 3HZ LYS 26 3HZ LYS 26 -8.713 0.737 -9.025 183 H CYS 27 H CYS 27 -2.354 -1.275 -5.231 184 HA CYS 27 HA CYS 27 -2.517 -1.206 -2.407 185 1HB CYS 27 1HB CYS 27 -0.484 -1.953 -3.247 186 2HB CYS 27 2HB CYS 27 -0.419 -0.718 -4.482 187 H LYS 28 H LYS 28 -2.709 0.407 -1.110 188 HA LYS 28 HA LYS 28 -2.791 3.156 -2.168 189 1HB LYS 28 1HB LYS 28 -5.037 2.453 -1.587 190 2HB LYS 28 2HB LYS 28 -4.500 1.904 -0.008 191 1HG LYS 28 1HG LYS 28 -4.671 3.940 0.875 192 2HG LYS 28 2HG LYS 28 -3.881 4.703 -0.504 193 1HD LYS 28 1HD LYS 28 -6.057 5.599 -0.468 194 2HD LYS 28 2HD LYS 28 -6.078 4.383 -1.748 195 1HE LYS 28 1HE LYS 28 -6.832 2.851 0.315 196 2HE LYS 28 2HE LYS 28 -7.433 4.406 0.888 197 1HZ LYS 28 1HZ LYS 28 -8.050 3.609 -1.866 198 2HZ LYS 28 2HZ LYS 28 -8.959 4.536 -0.783 199 3HZ LYS 28 3HZ LYS 28 -8.895 2.856 -0.609 200 H CYS 29 H CYS 29 -1.913 4.774 -0.832 201 HA CYS 29 HA CYS 29 -0.098 3.703 1.207 202 1HB CYS 29 1HB CYS 29 0.074 6.162 -0.518 203 2HB CYS 29 2HB CYS 29 1.127 5.896 0.869 204 H TYR 30 H TYR 30 0.232 4.754 3.146 205 HA TYR 30 HA TYR 30 -2.121 6.163 4.152 206 1HB TYR 30 1HB TYR 30 0.238 4.895 5.569 207 2HB TYR 30 2HB TYR 30 -1.066 5.738 6.392 208 HD1 TYR 30 1HD TYR 30 -2.202 3.864 3.541 209 HD2 TYR 30 2HD TYR 30 -1.176 3.538 7.655 210 HE1 TYR 30 1HE TYR 30 -3.461 1.765 3.682 211 HE2 TYR 30 2HE TYR 30 -2.439 1.438 7.809 212 HH TYR 30 HH TYR 30 -3.121 -0.436 5.965 213 H LYS 31 H LYS 31 -1.144 7.942 2.668 214 HA LYS 31 HA LYS 31 1.109 9.412 3.508 215 1HB LYS 31 1HB LYS 31 0.168 11.247 2.118 216 2HB LYS 31 2HB LYS 31 0.251 9.708 1.279 217 1HG LYS 31 1HG LYS 31 -1.992 9.530 1.090 218 2HG LYS 31 2HG LYS 31 -2.295 10.309 2.643 219 1HD LYS 31 1HD LYS 31 -1.265 11.855 0.285 220 2HD LYS 31 2HD LYS 31 -2.989 11.557 0.507 221 1HE LYS 31 1HE LYS 31 -2.766 13.584 1.560 222 2HE LYS 31 2HE LYS 31 -2.534 12.479 2.913 223 1HZ LYS 31 1HZ LYS 31 -0.134 13.246 1.450 224 2HZ LYS 31 2HZ LYS 31 -0.368 13.035 3.112 225 3HZ LYS 31 3HZ LYS 31 -0.871 14.465 2.363 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -1.019 -12.273 -8.906 2 2H ALA 1 2H ALA 1 0.334 -12.187 -9.959 3 3H ALA 1 3H ALA 1 -0.975 -11.092 -10.147 4 HA ALA 1 HA ALA 1 0.989 -11.245 -7.967 5 1HB ALA 1 1HB ALA 1 0.322 -9.196 -10.068 6 2HB ALA 1 2HB ALA 1 1.857 -10.023 -9.791 7 3HB ALA 1 3HB ALA 1 1.281 -8.819 -8.636 8 H ALA 2 H ALA 2 -0.625 -11.686 -6.375 9 HA ALA 2 HA ALA 2 -2.921 -10.078 -6.000 10 1HB ALA 2 1HB ALA 2 -3.401 -11.510 -4.352 11 2HB ALA 2 2HB ALA 2 -1.843 -11.270 -3.563 12 3HB ALA 2 3HB ALA 2 -1.987 -12.409 -4.901 13 H CYS 3 H CYS 3 -3.337 -8.431 -4.494 14 HA CYS 3 HA CYS 3 -1.052 -6.719 -3.982 15 1HB CYS 3 1HB CYS 3 -3.402 -6.002 -4.870 16 2HB CYS 3 2HB CYS 3 -3.863 -6.051 -3.174 17 H TYR 4 H TYR 4 0.095 -7.118 -2.204 18 HA TYR 4 HA TYR 4 -1.289 -7.969 0.244 19 1HB TYR 4 1HB TYR 4 1.415 -8.381 -0.848 20 2HB TYR 4 2HB TYR 4 1.378 -8.001 0.866 21 HD1 TYR 4 1HD TYR 4 -0.166 -10.304 -1.633 22 HD2 TYR 4 2HD TYR 4 1.002 -9.682 2.411 23 HE1 TYR 4 1HE TYR 4 -0.729 -12.640 -1.116 24 HE2 TYR 4 2HE TYR 4 0.444 -12.014 2.940 25 HH TYR 4 HH TYR 4 0.315 -14.285 1.344 26 H SER 5 H SER 5 -1.858 -6.380 1.586 27 HA SER 5 HA SER 5 -1.005 -3.732 1.346 28 1HB SER 5 1HB SER 5 -2.039 -3.404 3.608 29 2HB SER 5 2HB SER 5 -3.088 -4.238 2.462 30 HG SER 5 HG SER 5 -3.116 -5.315 4.440 31 H SER 6 H SER 6 0.542 -6.385 2.946 32 HA SER 6 HA SER 6 2.169 -4.725 4.665 33 1HB SER 6 1HB SER 6 1.913 -7.640 4.115 34 2HB SER 6 2HB SER 6 3.490 -7.076 4.664 35 HG SER 6 HG SER 6 2.425 -7.457 6.512 36 H ASP 7 H ASP 7 2.504 -6.439 1.604 37 HA ASP 7 HA ASP 7 5.257 -5.709 1.205 38 1HB ASP 7 1HB ASP 7 3.597 -7.613 0.125 39 2HB ASP 7 2HB ASP 7 3.655 -6.426 -1.169 40 H CYS 8 H CYS 8 2.127 -4.669 -0.037 41 HA CYS 8 HA CYS 8 3.080 -2.690 -1.782 42 1HB CYS 8 1HB CYS 8 0.726 -3.873 -1.347 43 2HB CYS 8 2HB CYS 8 0.455 -2.403 -0.439 44 H ARG 9 H ARG 9 2.343 -2.759 1.649 45 HA ARG 9 HA ARG 9 2.332 0.005 2.147 46 1HB ARG 9 1HB ARG 9 1.540 -1.283 3.922 47 2HB ARG 9 2HB ARG 9 2.872 -2.424 3.819 48 1HG ARG 9 1HG ARG 9 4.390 -0.707 4.678 49 2HG ARG 9 2HG ARG 9 3.028 0.399 4.835 50 1HD ARG 9 1HD ARG 9 3.408 -2.224 6.283 51 2HD ARG 9 2HD ARG 9 3.502 -0.609 6.984 52 HE ARG 9 HE ARG 9 0.970 -1.022 5.779 53 1HH1 ARG 9 1HH1 ARG 9 2.838 -1.918 8.600 54 2HH1 ARG 9 2HH1 ARG 9 1.443 -2.165 9.597 55 1HH2 ARG 9 1HH2 ARG 9 -0.867 -1.351 7.098 56 2HH2 ARG 9 2HH2 ARG 9 -0.657 -1.842 8.746 57 H VAL 10 H VAL 10 4.946 -2.427 2.136 58 HA VAL 10 HA VAL 10 7.030 -0.742 2.966 59 HB VAL 10 HB VAL 10 7.186 -3.043 1.001 60 1HG1 VAL 10 1HG1 VAL 10 9.198 -1.813 0.809 61 2HG1 VAL 10 2HG1 VAL 10 9.562 -3.182 1.858 62 3HG1 VAL 10 3HG1 VAL 10 9.311 -1.582 2.554 63 1HG2 VAL 10 1HG2 VAL 10 8.166 -4.000 3.347 64 2HG2 VAL 10 2HG2 VAL 10 6.510 -4.225 2.787 65 3HG2 VAL 10 3HG2 VAL 10 6.885 -2.928 3.921 66 H LYS 11 H LYS 11 5.516 -1.225 -0.179 67 HA LYS 11 HA LYS 11 7.366 0.271 -1.699 68 1HB LYS 11 1HB LYS 11 4.428 -0.110 -2.272 69 2HB LYS 11 2HB LYS 11 5.682 0.302 -3.433 70 1HG LYS 11 1HG LYS 11 6.700 -1.993 -2.590 71 2HG LYS 11 2HG LYS 11 5.008 -2.309 -2.203 72 1HD LYS 11 1HD LYS 11 4.600 -1.429 -4.636 73 2HD LYS 11 2HD LYS 11 6.297 -1.857 -4.858 74 1HE LYS 11 1HE LYS 11 5.418 -4.087 -3.644 75 2HE LYS 11 2HE LYS 11 3.934 -3.584 -4.453 76 1HZ LYS 11 1HZ LYS 11 6.545 -3.889 -5.834 77 2HZ LYS 11 2HZ LYS 11 5.032 -3.634 -6.549 78 3HZ LYS 11 3HZ LYS 11 5.364 -5.099 -5.774 79 H CYS 12 H CYS 12 4.575 1.141 0.236 80 HA CYS 12 HA CYS 12 4.475 3.858 -0.707 81 1HB CYS 12 1HB CYS 12 3.192 2.440 1.622 82 2HB CYS 12 2HB CYS 12 3.052 4.179 1.412 83 H VAL 13 H VAL 13 5.778 2.198 2.159 84 HA VAL 13 HA VAL 13 6.704 4.469 3.517 85 HB VAL 13 HB VAL 13 7.786 1.652 3.514 86 1HG1 VAL 13 1HG1 VAL 13 8.827 2.252 5.677 87 2HG1 VAL 13 2HG1 VAL 13 8.355 3.929 5.410 88 3HG1 VAL 13 3HG1 VAL 13 9.505 3.153 4.320 89 1HG2 VAL 13 1HG2 VAL 13 5.749 1.332 4.445 90 2HG2 VAL 13 2HG2 VAL 13 5.577 3.023 4.919 91 3HG2 VAL 13 3HG2 VAL 13 6.568 1.930 5.887 92 H ALA 14 H ALA 14 8.079 2.600 0.883 93 HA ALA 14 HA ALA 14 10.617 3.995 0.972 94 1HB ALA 14 1HB ALA 14 11.390 2.446 -0.501 95 2HB ALA 14 2HB ALA 14 9.851 2.328 -1.353 96 3HB ALA 14 3HB ALA 14 10.059 1.527 0.205 97 H MET 15 H MET 15 7.552 4.374 -0.613 98 HA MET 15 HA MET 15 8.675 6.110 -2.675 99 1HB MET 15 1HB MET 15 5.915 5.012 -2.170 100 2HB MET 15 2HB MET 15 6.198 6.292 -3.341 101 1HG MET 15 1HG MET 15 7.528 4.901 -4.694 102 2HG MET 15 2HG MET 15 7.668 3.681 -3.430 103 1HE MET 15 1HE MET 15 5.331 2.855 -6.817 104 2HE MET 15 2HE MET 15 6.983 3.359 -6.459 105 3HE MET 15 3HE MET 15 5.725 4.569 -6.700 106 H GLY 16 H GLY 16 8.373 6.670 0.381 107 1HA GLY 16 1HA GLY 16 8.365 8.745 1.444 108 2HA GLY 16 2HA GLY 16 7.659 9.462 0.005 109 H PHE 17 H PHE 17 6.640 6.889 2.265 110 HA PHE 17 HA PHE 17 4.309 8.484 3.012 111 1HB PHE 17 1HB PHE 17 4.099 5.708 1.820 112 2HB PHE 17 2HB PHE 17 2.778 6.557 2.614 113 HD1 PHE 17 1HD PHE 17 4.839 6.337 -0.384 114 HD2 PHE 17 2HD PHE 17 1.716 8.441 1.576 115 HE1 PHE 17 1HE PHE 17 4.236 7.404 -2.518 116 HE2 PHE 17 2HE PHE 17 1.104 9.522 -0.552 117 HZ PHE 17 HZ PHE 17 2.362 9.001 -2.604 118 H SER 18 H SER 18 3.067 7.402 4.834 119 HA SER 18 HA SER 18 5.016 6.330 6.714 120 1HB SER 18 1HB SER 18 2.139 6.973 7.348 121 2HB SER 18 2HB SER 18 3.512 6.900 8.453 122 HG SER 18 HG SER 18 2.584 9.029 7.312 123 H SER 19 H SER 19 2.985 4.967 4.531 124 HA SER 19 HA SER 19 3.331 2.355 5.105 125 1HB SER 19 1HB SER 19 1.416 3.498 6.992 126 2HB SER 19 2HB SER 19 0.766 2.117 6.108 127 HG SER 19 HG SER 19 1.822 1.047 7.593 128 H GLY 20 H GLY 20 1.126 1.003 4.433 129 1HA GLY 20 1HA GLY 20 -0.447 2.326 2.419 130 2HA GLY 20 2HA GLY 20 0.805 1.303 1.734 131 H LYS 21 H LYS 21 -1.887 0.815 1.242 132 HA LYS 21 HA LYS 21 -2.179 -1.772 2.556 133 1HB LYS 21 1HB LYS 21 -4.640 -1.405 2.703 134 2HB LYS 21 2HB LYS 21 -3.693 -0.402 3.778 135 1HG LYS 21 1HG LYS 21 -3.907 1.449 2.110 136 2HG LYS 21 2HG LYS 21 -5.028 0.422 1.215 137 1HD LYS 21 1HD LYS 21 -5.937 0.354 3.852 138 2HD LYS 21 2HD LYS 21 -5.486 2.038 3.571 139 1HE LYS 21 1HE LYS 21 -6.978 2.244 1.764 140 2HE LYS 21 2HE LYS 21 -7.187 0.499 1.629 141 1HZ LYS 21 1HZ LYS 21 -8.055 2.035 4.013 142 2HZ LYS 21 2HZ LYS 21 -8.472 0.452 3.588 143 3HZ LYS 21 3HZ LYS 21 -9.069 1.752 2.688 144 H CYS 22 H CYS 22 -4.113 -2.894 1.509 145 HA CYS 22 HA CYS 22 -4.179 -2.519 -1.390 146 1HB CYS 22 1HB CYS 22 -3.272 -4.914 0.146 147 2HB CYS 22 2HB CYS 22 -4.069 -5.147 -1.408 148 H ILE 23 H ILE 23 -6.191 -2.708 -2.192 149 HA ILE 23 HA ILE 23 -8.263 -3.844 -0.462 150 HB ILE 23 HB ILE 23 -8.224 -1.350 -1.070 151 1HG1 ILE 23 1HG1 ILE 23 -10.862 -1.781 -1.799 152 2HG1 ILE 23 2HG1 ILE 23 -10.418 -3.241 -0.922 153 1HG2 ILE 23 1HG2 ILE 23 -8.317 -0.676 -3.163 154 2HG2 ILE 23 2HG2 ILE 23 -9.751 -1.655 -3.476 155 3HG2 ILE 23 3HG2 ILE 23 -8.144 -2.354 -3.670 156 1HD1 ILE 23 1HD1 ILE 23 -10.872 -2.109 0.929 157 2HD1 ILE 23 2HD1 ILE 23 -10.925 -0.572 0.066 158 3HD1 ILE 23 3HD1 ILE 23 -9.380 -1.215 0.627 159 H ASN 24 H ASN 24 -10.169 -3.728 -2.817 160 HA ASN 24 HA ASN 24 -10.290 -6.252 -3.637 161 1HB ASN 24 1HB ASN 24 -11.318 -3.757 -4.579 162 2HB ASN 24 2HB ASN 24 -10.881 -4.749 -5.963 163 1HD2 ASN 24 1HD2 ASN 24 -12.731 -4.727 -2.968 164 2HD2 ASN 24 2HD2 ASN 24 -13.917 -5.874 -3.478 165 H SER 25 H SER 25 -8.376 -3.746 -5.204 166 HA SER 25 HA SER 25 -6.298 -5.429 -5.991 167 1HB SER 25 1HB SER 25 -8.395 -5.887 -7.641 168 2HB SER 25 2HB SER 25 -7.630 -4.544 -8.489 169 HG SER 25 HG SER 25 -6.905 -7.093 -8.473 170 H LYS 26 H LYS 26 -6.654 -2.956 -4.722 171 HA LYS 26 HA LYS 26 -5.022 -1.244 -6.429 172 1HB LYS 26 1HB LYS 26 -7.465 -0.304 -4.911 173 2HB LYS 26 2HB LYS 26 -6.306 0.751 -5.704 174 1HG LYS 26 1HG LYS 26 -7.435 0.588 -7.597 175 2HG LYS 26 2HG LYS 26 -7.196 -1.159 -7.607 176 1HD LYS 26 1HD LYS 26 -9.189 -1.486 -6.283 177 2HD LYS 26 2HD LYS 26 -9.401 0.258 -6.116 178 1HE LYS 26 1HE LYS 26 -9.525 -1.310 -8.693 179 2HE LYS 26 2HE LYS 26 -10.906 -0.670 -7.805 180 1HZ LYS 26 1HZ LYS 26 -8.995 0.710 -9.512 181 2HZ LYS 26 2HZ LYS 26 -9.489 1.549 -8.130 182 3HZ LYS 26 3HZ LYS 26 -10.637 1.020 -9.255 183 H CYS 27 H CYS 27 -3.709 0.219 -5.255 184 HA CYS 27 HA CYS 27 -3.321 -0.515 -2.441 185 1HB CYS 27 1HB CYS 27 -1.557 -1.055 -4.235 186 2HB CYS 27 2HB CYS 27 -1.223 0.668 -4.226 187 H LYS 28 H LYS 28 -3.223 1.009 -0.959 188 HA LYS 28 HA LYS 28 -3.274 3.826 -1.822 189 1HB LYS 28 1HB LYS 28 -5.493 3.254 -1.044 190 2HB LYS 28 2HB LYS 28 -4.836 2.548 0.425 191 1HG LYS 28 1HG LYS 28 -4.252 4.639 1.304 192 2HG LYS 28 2HG LYS 28 -4.443 5.439 -0.256 193 1HD LYS 28 1HD LYS 28 -6.789 4.083 1.007 194 2HD LYS 28 2HD LYS 28 -6.289 5.673 1.582 195 1HE LYS 28 1HE LYS 28 -6.583 6.630 -0.593 196 2HE LYS 28 2HE LYS 28 -6.851 5.041 -1.311 197 1HZ LYS 28 1HZ LYS 28 -8.829 6.642 -0.640 198 2HZ LYS 28 2HZ LYS 28 -8.653 5.849 0.842 199 3HZ LYS 28 3HZ LYS 28 -8.974 4.958 -0.560 200 H CYS 29 H CYS 29 -2.089 5.258 -0.567 201 HA CYS 29 HA CYS 29 -0.177 3.950 1.229 202 1HB CYS 29 1HB CYS 29 -0.027 6.556 -0.277 203 2HB CYS 29 2HB CYS 29 1.134 6.098 0.964 204 H TYR 30 H TYR 30 0.394 4.877 3.200 205 HA TYR 30 HA TYR 30 -1.818 6.235 4.531 206 1HB TYR 30 1HB TYR 30 0.614 4.802 5.619 207 2HB TYR 30 2HB TYR 30 -0.588 5.599 6.620 208 HD1 TYR 30 1HD TYR 30 -2.001 3.994 3.724 209 HD2 TYR 30 2HD TYR 30 -0.673 3.312 7.707 210 HE1 TYR 30 1HE TYR 30 -3.319 1.931 3.804 211 HE2 TYR 30 2HE TYR 30 -1.994 1.243 7.798 212 HH TYR 30 HH TYR 30 -4.414 0.522 5.901 213 H LYS 31 H LYS 31 -0.976 8.130 3.160 214 HA LYS 31 HA LYS 31 1.368 9.499 3.631 215 1HB LYS 31 1HB LYS 31 -1.374 10.700 3.179 216 2HB LYS 31 2HB LYS 31 0.149 11.555 2.994 217 1HG LYS 31 1HG LYS 31 0.632 10.559 1.014 218 2HG LYS 31 2HG LYS 31 -0.203 9.062 1.433 219 1HD LYS 31 1HD LYS 31 -2.283 9.905 0.831 220 2HD LYS 31 2HD LYS 31 -1.761 11.582 0.999 221 1HE LYS 31 1HE LYS 31 -1.912 11.271 -1.310 222 2HE LYS 31 2HE LYS 31 -0.192 11.093 -0.967 223 1HZ LYS 31 1HZ LYS 31 -0.969 8.571 -0.745 224 2HZ LYS 31 2HZ LYS 31 -0.476 9.248 -2.213 225 3HZ LYS 31 3HZ LYS 31 -2.123 9.106 -1.861 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -2.844 -8.277 -10.526 2 2H ALA 1 2H ALA 1 -1.761 -8.993 -9.404 3 3H ALA 1 3H ALA 1 -2.372 -7.414 -9.125 4 HA ALA 1 HA ALA 1 -4.503 -8.172 -8.738 5 1HB ALA 1 1HB ALA 1 -5.373 -10.131 -9.429 6 2HB ALA 1 2HB ALA 1 -3.900 -11.037 -9.082 7 3HB ALA 1 3HB ALA 1 -4.020 -10.080 -10.560 8 H ALA 2 H ALA 2 -1.886 -10.519 -8.018 9 HA ALA 2 HA ALA 2 -2.721 -11.007 -5.366 10 1HB ALA 2 1HB ALA 2 -1.354 -12.664 -6.248 11 2HB ALA 2 2HB ALA 2 -0.279 -11.825 -5.131 12 3HB ALA 2 3HB ALA 2 -0.172 -11.506 -6.862 13 H CYS 3 H CYS 3 -3.102 -8.968 -4.433 14 HA CYS 3 HA CYS 3 -0.866 -7.149 -4.070 15 1HB CYS 3 1HB CYS 3 -3.076 -6.223 -4.584 16 2HB CYS 3 2HB CYS 3 -3.743 -6.974 -3.140 17 H TYR 4 H TYR 4 0.209 -6.775 -2.183 18 HA TYR 4 HA TYR 4 -0.576 -8.386 0.162 19 1HB TYR 4 1HB TYR 4 2.036 -8.124 -1.188 20 2HB TYR 4 2HB TYR 4 2.090 -7.988 0.560 21 HD1 TYR 4 1HD TYR 4 0.861 -10.200 -2.174 22 HD2 TYR 4 2HD TYR 4 2.083 -9.900 1.892 23 HE1 TYR 4 1HE TYR 4 0.783 -12.649 -1.975 24 HE2 TYR 4 2HE TYR 4 2.012 -12.346 2.102 25 HH TYR 4 HH TYR 4 2.244 -14.369 0.218 26 H SER 5 H SER 5 -1.176 -7.150 1.814 27 HA SER 5 HA SER 5 -0.909 -4.357 1.865 28 1HB SER 5 1HB SER 5 -1.712 -4.502 4.192 29 2HB SER 5 2HB SER 5 -2.661 -5.523 3.110 30 HG SER 5 HG SER 5 -1.776 -7.300 3.977 31 H SER 6 H SER 6 1.241 -6.874 2.942 32 HA SER 6 HA SER 6 2.817 -5.143 4.630 33 1HB SER 6 1HB SER 6 2.719 -7.986 4.023 34 2HB SER 6 2HB SER 6 4.376 -7.382 3.991 35 HG SER 6 HG SER 6 4.111 -7.772 6.083 36 H ASP 7 H ASP 7 2.971 -6.424 1.353 37 HA ASP 7 HA ASP 7 5.550 -5.327 0.760 38 1HB ASP 7 1HB ASP 7 3.890 -7.150 -0.466 39 2HB ASP 7 2HB ASP 7 3.710 -5.744 -1.500 40 H CYS 8 H CYS 8 2.202 -4.427 0.183 41 HA CYS 8 HA CYS 8 2.483 -2.125 -1.308 42 1HB CYS 8 1HB CYS 8 0.308 -3.082 -0.758 43 2HB CYS 8 2HB CYS 8 0.538 -2.693 0.935 44 H ARG 9 H ARG 9 2.353 -2.437 2.217 45 HA ARG 9 HA ARG 9 2.772 0.210 2.882 46 1HB ARG 9 1HB ARG 9 2.151 -1.424 4.554 47 2HB ARG 9 2HB ARG 9 3.680 -2.274 4.339 48 1HG ARG 9 1HG ARG 9 4.679 0.072 4.919 49 2HG ARG 9 2HG ARG 9 3.112 0.300 5.690 50 1HD ARG 9 1HD ARG 9 4.077 -0.675 7.468 51 2HD ARG 9 2HD ARG 9 3.793 -2.177 6.590 52 HE ARG 9 HE ARG 9 6.209 -1.360 5.671 53 1HH1 ARG 9 1HH1 ARG 9 4.917 -1.880 8.886 54 2HH1 ARG 9 2HH1 ARG 9 6.453 -2.300 9.568 55 1HH2 ARG 9 1HH2 ARG 9 8.227 -1.917 6.576 56 2HH2 ARG 9 2HH2 ARG 9 8.332 -2.321 8.256 57 H VAL 10 H VAL 10 5.217 -2.355 2.377 58 HA VAL 10 HA VAL 10 7.467 -0.779 2.929 59 HB VAL 10 HB VAL 10 7.257 -3.066 0.955 60 1HG1 VAL 10 1HG1 VAL 10 9.315 -2.317 0.398 61 2HG1 VAL 10 2HG1 VAL 10 9.787 -3.187 1.857 62 3HG1 VAL 10 3HG1 VAL 10 9.530 -1.443 1.915 63 1HG2 VAL 10 1HG2 VAL 10 7.363 -4.530 2.649 64 2HG2 VAL 10 2HG2 VAL 10 6.790 -3.189 3.641 65 3HG2 VAL 10 3HG2 VAL 10 8.514 -3.550 3.558 66 H LYS 11 H LYS 11 5.579 -1.174 -0.026 67 HA LYS 11 HA LYS 11 7.308 0.332 -1.697 68 1HB LYS 11 1HB LYS 11 4.346 -0.190 -1.981 69 2HB LYS 11 2HB LYS 11 5.394 0.433 -3.246 70 1HG LYS 11 1HG LYS 11 6.671 -1.879 -2.538 71 2HG LYS 11 2HG LYS 11 4.972 -2.306 -2.327 72 1HD LYS 11 1HD LYS 11 4.550 -1.412 -4.627 73 2HD LYS 11 2HD LYS 11 6.297 -1.237 -4.815 74 1HE LYS 11 1HE LYS 11 6.506 -3.681 -4.302 75 2HE LYS 11 2HE LYS 11 4.746 -3.782 -4.363 76 1HZ LYS 11 1HZ LYS 11 6.549 -2.986 -6.587 77 2HZ LYS 11 2HZ LYS 11 4.859 -2.952 -6.662 78 3HZ LYS 11 3HZ LYS 11 5.664 -4.426 -6.468 79 H CYS 12 H CYS 12 4.730 1.167 0.510 80 HA CYS 12 HA CYS 12 4.580 3.897 -0.446 81 1HB CYS 12 1HB CYS 12 3.330 2.564 1.963 82 2HB CYS 12 2HB CYS 12 3.048 4.237 1.494 83 H VAL 13 H VAL 13 6.061 2.138 2.248 84 HA VAL 13 HA VAL 13 6.910 4.394 3.720 85 HB VAL 13 HB VAL 13 8.099 1.621 3.556 86 1HG1 VAL 13 1HG1 VAL 13 8.866 4.011 5.124 87 2HG1 VAL 13 2HG1 VAL 13 9.849 2.662 4.555 88 3HG1 VAL 13 3HG1 VAL 13 8.839 2.472 5.986 89 1HG2 VAL 13 1HG2 VAL 13 6.602 2.527 5.936 90 2HG2 VAL 13 2HG2 VAL 13 6.645 0.950 5.153 91 3HG2 VAL 13 3HG2 VAL 13 5.656 2.243 4.476 92 H ALA 14 H ALA 14 8.260 2.674 0.971 93 HA ALA 14 HA ALA 14 10.745 4.170 1.037 94 1HB ALA 14 1HB ALA 14 11.555 2.667 -0.441 95 2HB ALA 14 2HB ALA 14 10.031 2.543 -1.319 96 3HB ALA 14 3HB ALA 14 10.238 1.694 0.213 97 H MET 15 H MET 15 7.631 4.416 -0.499 98 HA MET 15 HA MET 15 8.647 6.260 -2.525 99 1HB MET 15 1HB MET 15 5.945 5.017 -2.046 100 2HB MET 15 2HB MET 15 6.178 6.318 -3.203 101 1HG MET 15 1HG MET 15 7.800 3.803 -3.322 102 2HG MET 15 2HG MET 15 6.208 3.918 -4.067 103 1HE MET 15 1HE MET 15 6.166 5.576 -6.896 104 2HE MET 15 2HE MET 15 6.584 7.088 -6.089 105 3HE MET 15 3HE MET 15 5.533 5.920 -5.287 106 H GLY 16 H GLY 16 8.277 6.723 0.555 107 1HA GLY 16 1HA GLY 16 8.067 8.690 1.749 108 2HA GLY 16 2HA GLY 16 7.598 9.503 0.267 109 H PHE 17 H PHE 17 6.286 7.054 2.509 110 HA PHE 17 HA PHE 17 3.825 8.614 2.727 111 1HB PHE 17 1HB PHE 17 3.913 5.725 1.844 112 2HB PHE 17 2HB PHE 17 2.455 6.523 2.419 113 HD1 PHE 17 1HD PHE 17 4.825 6.201 -0.321 114 HD2 PHE 17 2HD PHE 17 1.369 8.219 1.098 115 HE1 PHE 17 1HE PHE 17 4.365 7.000 -2.605 116 HE2 PHE 17 2HE PHE 17 0.896 9.028 -1.182 117 HZ PHE 17 HZ PHE 17 2.396 8.417 -3.038 118 H SER 18 H SER 18 2.407 7.775 4.524 119 HA SER 18 HA SER 18 4.104 7.036 6.754 120 1HB SER 18 1HB SER 18 1.139 7.498 6.961 121 2HB SER 18 2HB SER 18 2.380 7.735 8.191 122 HG SER 18 HG SER 18 1.451 9.641 6.958 123 H SER 19 H SER 19 2.505 5.259 4.516 124 HA SER 19 HA SER 19 2.919 2.772 5.445 125 1HB SER 19 1HB SER 19 0.693 3.966 6.936 126 2HB SER 19 2HB SER 19 0.310 2.405 6.216 127 HG SER 19 HG SER 19 2.271 3.055 8.124 128 H GLY 20 H GLY 20 0.939 1.162 4.712 129 1HA GLY 20 1HA GLY 20 -0.524 2.103 2.421 130 2HA GLY 20 2HA GLY 20 0.873 1.139 1.978 131 H LYS 21 H LYS 21 -1.770 0.398 1.348 132 HA LYS 21 HA LYS 21 -1.868 -2.169 2.685 133 1HB LYS 21 1HB LYS 21 -4.188 -2.028 3.316 134 2HB LYS 21 2HB LYS 21 -3.305 -0.719 4.059 135 1HG LYS 21 1HG LYS 21 -4.112 0.773 2.218 136 2HG LYS 21 2HG LYS 21 -5.138 -0.560 1.688 137 1HD LYS 21 1HD LYS 21 -6.211 -0.577 3.915 138 2HD LYS 21 2HD LYS 21 -5.225 0.812 4.374 139 1HE LYS 21 1HE LYS 21 -6.235 2.131 2.583 140 2HE LYS 21 2HE LYS 21 -7.207 0.741 2.100 141 1HZ LYS 21 1HZ LYS 21 -7.480 2.475 4.454 142 2HZ LYS 21 2HZ LYS 21 -7.977 0.863 4.579 143 3HZ LYS 21 3HZ LYS 21 -8.675 1.871 3.416 144 H CYS 22 H CYS 22 -3.986 -3.271 1.845 145 HA CYS 22 HA CYS 22 -3.849 -3.155 -1.080 146 1HB CYS 22 1HB CYS 22 -4.403 -5.382 0.854 147 2HB CYS 22 2HB CYS 22 -4.977 -5.489 -0.809 148 H ILE 23 H ILE 23 -5.525 -2.512 -2.190 149 HA ILE 23 HA ILE 23 -8.095 -2.124 -0.826 150 HB ILE 23 HB ILE 23 -7.745 -1.028 -3.559 151 1HG1 ILE 23 1HG1 ILE 23 -6.555 0.763 -1.561 152 2HG1 ILE 23 2HG1 ILE 23 -5.575 -0.661 -1.889 153 1HG2 ILE 23 1HG2 ILE 23 -9.576 -0.708 -1.627 154 2HG2 ILE 23 2HG2 ILE 23 -9.254 0.502 -2.868 155 3HG2 ILE 23 3HG2 ILE 23 -8.521 0.660 -1.270 156 1HD1 ILE 23 1HD1 ILE 23 -4.744 0.605 -3.533 157 2HD1 ILE 23 2HD1 ILE 23 -6.154 1.665 -3.571 158 3HD1 ILE 23 3HD1 ILE 23 -6.197 0.110 -4.402 159 H ASN 24 H ASN 24 -9.438 -1.993 -3.544 160 HA ASN 24 HA ASN 24 -10.595 -4.398 -3.722 161 1HB ASN 24 1HB ASN 24 -10.368 -2.132 -5.437 162 2HB ASN 24 2HB ASN 24 -10.209 -3.582 -6.421 163 1HD2 ASN 24 1HD2 ASN 24 -12.347 -1.438 -5.127 164 2HD2 ASN 24 2HD2 ASN 24 -13.786 -2.390 -5.206 165 H SER 25 H SER 25 -7.598 -3.450 -5.312 166 HA SER 25 HA SER 25 -6.376 -5.945 -5.138 167 1HB SER 25 1HB SER 25 -8.236 -5.883 -7.226 168 2HB SER 25 2HB SER 25 -6.681 -5.633 -8.017 169 HG SER 25 HG SER 25 -7.516 -7.805 -6.409 170 H LYS 26 H LYS 26 -5.837 -3.155 -4.734 171 HA LYS 26 HA LYS 26 -3.338 -2.941 -6.200 172 1HB LYS 26 1HB LYS 26 -5.460 -0.791 -6.136 173 2HB LYS 26 2HB LYS 26 -3.784 -0.477 -6.556 174 1HG LYS 26 1HG LYS 26 -3.960 -1.459 -8.592 175 2HG LYS 26 2HG LYS 26 -5.171 -2.622 -8.054 176 1HD LYS 26 1HD LYS 26 -5.962 0.233 -8.082 177 2HD LYS 26 2HD LYS 26 -5.752 -0.555 -9.646 178 1HE LYS 26 1HE LYS 26 -7.907 -1.143 -9.337 179 2HE LYS 26 2HE LYS 26 -7.195 -2.434 -8.370 180 1HZ LYS 26 1HZ LYS 26 -9.086 -0.902 -7.427 181 2HZ LYS 26 2HZ LYS 26 -7.785 0.110 -7.043 182 3HZ LYS 26 3HZ LYS 26 -7.841 -1.465 -6.429 183 H CYS 27 H CYS 27 -1.894 -1.383 -5.216 184 HA CYS 27 HA CYS 27 -2.048 -1.451 -2.347 185 1HB CYS 27 1HB CYS 27 0.040 -2.028 -3.319 186 2HB CYS 27 2HB CYS 27 0.050 -0.584 -4.309 187 H LYS 28 H LYS 28 -2.698 0.124 -1.135 188 HA LYS 28 HA LYS 28 -2.876 2.850 -2.236 189 1HB LYS 28 1HB LYS 28 -5.057 1.992 -1.616 190 2HB LYS 28 2HB LYS 28 -4.469 1.541 -0.025 191 1HG LYS 28 1HG LYS 28 -5.076 3.521 0.747 192 2HG LYS 28 2HG LYS 28 -3.957 4.302 -0.370 193 1HD LYS 28 1HD LYS 28 -6.097 3.634 -1.976 194 2HD LYS 28 2HD LYS 28 -6.862 4.108 -0.462 195 1HE LYS 28 1HE LYS 28 -6.707 6.170 -1.392 196 2HE LYS 28 2HE LYS 28 -5.096 6.101 -0.678 197 1HZ LYS 28 1HZ LYS 28 -5.475 5.075 -3.403 198 2HZ LYS 28 2HZ LYS 28 -4.112 5.789 -2.703 199 3HZ LYS 28 3HZ LYS 28 -5.424 6.751 -3.169 200 H CYS 29 H CYS 29 -2.075 4.558 -0.971 201 HA CYS 29 HA CYS 29 -0.231 3.657 1.129 202 1HB CYS 29 1HB CYS 29 -0.115 6.064 -0.679 203 2HB CYS 29 2HB CYS 29 0.947 5.844 0.708 204 H TYR 30 H TYR 30 0.043 4.843 3.002 205 HA TYR 30 HA TYR 30 -2.400 6.150 3.922 206 1HB TYR 30 1HB TYR 30 0.021 5.113 5.411 207 2HB TYR 30 2HB TYR 30 -1.335 5.920 6.184 208 HD1 TYR 30 1HD TYR 30 -2.300 3.810 3.424 209 HD2 TYR 30 2HD TYR 30 -1.363 3.812 7.571 210 HE1 TYR 30 1HE TYR 30 -3.445 1.661 3.675 211 HE2 TYR 30 2HE TYR 30 -2.513 1.659 7.837 212 HH TYR 30 HH TYR 30 -3.054 -0.355 6.173 213 H LYS 31 H LYS 31 -1.498 7.924 2.350 214 HA LYS 31 HA LYS 31 0.629 9.565 2.976 215 1HB LYS 31 1HB LYS 31 -1.691 9.714 1.309 216 2HB LYS 31 2HB LYS 31 -1.520 11.248 2.154 217 1HG LYS 31 1HG LYS 31 0.657 9.915 0.569 218 2HG LYS 31 2HG LYS 31 -0.393 11.195 -0.036 219 1HD LYS 31 1HD LYS 31 0.748 12.798 1.048 220 2HD LYS 31 2HD LYS 31 0.890 11.829 2.516 221 1HE LYS 31 1HE LYS 31 2.687 10.516 1.376 222 2HE LYS 31 2HE LYS 31 2.610 11.669 0.046 223 1HZ LYS 31 1HZ LYS 31 3.428 12.183 2.848 224 2HZ LYS 31 2HZ LYS 31 3.068 13.429 1.763 225 3HZ LYS 31 3HZ LYS 31 4.350 12.374 1.441 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -0.871 -10.843 -10.405 2 2H ALA 1 2H ALA 1 0.014 -12.044 -9.556 3 3H ALA 1 3H ALA 1 0.743 -11.200 -10.859 4 HA ALA 1 HA ALA 1 1.394 -10.528 -8.568 5 1HB ALA 1 1HB ALA 1 0.353 -8.601 -10.629 6 2HB ALA 1 2HB ALA 1 2.015 -9.112 -10.338 7 3HB ALA 1 3HB ALA 1 1.201 -8.063 -9.178 8 H ALA 2 H ALA 2 -0.153 -11.344 -7.020 9 HA ALA 2 HA ALA 2 -2.670 -10.128 -6.569 10 1HB ALA 2 1HB ALA 2 -1.527 -12.381 -5.664 11 2HB ALA 2 2HB ALA 2 -2.917 -11.621 -4.890 12 3HB ALA 2 3HB ALA 2 -1.294 -11.344 -4.256 13 H CYS 3 H CYS 3 -3.336 -8.650 -4.974 14 HA CYS 3 HA CYS 3 -1.341 -6.639 -4.349 15 1HB CYS 3 1HB CYS 3 -3.829 -6.318 -5.175 16 2HB CYS 3 2HB CYS 3 -4.189 -6.429 -3.456 17 H TYR 4 H TYR 4 -0.193 -6.722 -2.533 18 HA TYR 4 HA TYR 4 -1.386 -7.979 -0.146 19 1HB TYR 4 1HB TYR 4 1.322 -8.037 -1.296 20 2HB TYR 4 2HB TYR 4 1.279 -7.762 0.434 21 HD1 TYR 4 1HD TYR 4 -0.636 -9.958 -1.920 22 HD2 TYR 4 2HD TYR 4 1.688 -9.672 1.632 23 HE1 TYR 4 1HE TYR 4 -0.934 -12.366 -1.538 24 HE2 TYR 4 2HE TYR 4 1.397 -12.080 2.024 25 HH TYR 4 HH TYR 4 -0.890 -13.923 0.547 26 H SER 5 H SER 5 -1.389 -6.921 1.798 27 HA SER 5 HA SER 5 -1.197 -4.063 1.698 28 1HB SER 5 1HB SER 5 -2.960 -4.906 3.048 29 2HB SER 5 2HB SER 5 -1.884 -6.013 3.896 30 HG SER 5 HG SER 5 -1.394 -3.251 4.062 31 H SER 6 H SER 6 0.844 -6.669 2.846 32 HA SER 6 HA SER 6 2.547 -4.973 4.418 33 1HB SER 6 1HB SER 6 2.203 -7.688 4.296 34 2HB SER 6 2HB SER 6 3.713 -7.490 3.405 35 HG SER 6 HG SER 6 4.005 -7.748 5.693 36 H ASP 7 H ASP 7 2.593 -6.283 1.145 37 HA ASP 7 HA ASP 7 5.172 -5.260 0.468 38 1HB ASP 7 1HB ASP 7 3.415 -7.018 -0.704 39 2HB ASP 7 2HB ASP 7 3.228 -5.601 -1.724 40 H CYS 8 H CYS 8 1.843 -4.208 -0.040 41 HA CYS 8 HA CYS 8 2.250 -1.898 -1.513 42 1HB CYS 8 1HB CYS 8 0.027 -2.827 -0.948 43 2HB CYS 8 2HB CYS 8 0.245 -2.307 0.712 44 H ARG 9 H ARG 9 2.113 -2.275 2.007 45 HA ARG 9 HA ARG 9 2.632 0.353 2.717 46 1HB ARG 9 1HB ARG 9 1.912 -1.317 4.338 47 2HB ARG 9 2HB ARG 9 3.447 -2.165 4.167 48 1HG ARG 9 1HG ARG 9 4.519 -0.756 5.503 49 2HG ARG 9 2HG ARG 9 3.739 0.653 4.787 50 1HD ARG 9 1HD ARG 9 2.802 0.772 6.857 51 2HD ARG 9 2HD ARG 9 1.649 -0.333 6.113 52 HE ARG 9 HE ARG 9 2.411 -2.009 7.473 53 1HH1 ARG 9 1HH1 ARG 9 4.674 0.666 7.615 54 2HH1 ARG 9 2HH1 ARG 9 5.572 -0.001 8.934 55 1HH2 ARG 9 1HH2 ARG 9 3.606 -2.889 9.207 56 2HH2 ARG 9 2HH2 ARG 9 4.964 -2.023 9.840 57 H VAL 10 H VAL 10 4.954 -2.328 2.195 58 HA VAL 10 HA VAL 10 7.276 -0.905 2.832 59 HB VAL 10 HB VAL 10 6.976 -3.113 0.783 60 1HG1 VAL 10 1HG1 VAL 10 9.086 -2.419 0.299 61 2HG1 VAL 10 2HG1 VAL 10 9.467 -3.429 1.693 62 3HG1 VAL 10 3HG1 VAL 10 9.326 -1.681 1.881 63 1HG2 VAL 10 1HG2 VAL 10 8.144 -3.742 3.397 64 2HG2 VAL 10 2HG2 VAL 10 6.959 -4.629 2.437 65 3HG2 VAL 10 3HG2 VAL 10 6.442 -3.284 3.453 66 H LYS 11 H LYS 11 5.441 -1.080 -0.176 67 HA LYS 11 HA LYS 11 7.303 0.371 -1.756 68 1HB LYS 11 1HB LYS 11 4.327 -0.020 -2.112 69 2HB LYS 11 2HB LYS 11 5.401 0.657 -3.328 70 1HG LYS 11 1HG LYS 11 6.448 -1.381 -3.722 71 2HG LYS 11 2HG LYS 11 5.901 -2.064 -2.191 72 1HD LYS 11 1HD LYS 11 3.556 -1.931 -3.083 73 2HD LYS 11 2HD LYS 11 4.252 -1.501 -4.648 74 1HE LYS 11 1HE LYS 11 5.301 -3.584 -4.881 75 2HE LYS 11 2HE LYS 11 5.113 -3.963 -3.170 76 1HZ LYS 11 1HZ LYS 11 2.577 -3.763 -3.837 77 2HZ LYS 11 2HZ LYS 11 3.440 -5.209 -4.003 78 3HZ LYS 11 3HZ LYS 11 3.191 -4.214 -5.350 79 H CYS 12 H CYS 12 4.712 1.279 0.404 80 HA CYS 12 HA CYS 12 4.728 4.043 -0.434 81 1HB CYS 12 1HB CYS 12 3.437 2.764 1.982 82 2HB CYS 12 2HB CYS 12 3.117 4.385 1.373 83 H VAL 13 H VAL 13 6.046 2.100 2.225 84 HA VAL 13 HA VAL 13 7.012 4.231 3.799 85 HB VAL 13 HB VAL 13 8.043 1.403 3.526 86 1HG1 VAL 13 1HG1 VAL 13 9.109 1.762 5.712 87 2HG1 VAL 13 2HG1 VAL 13 8.623 3.456 5.662 88 3HG1 VAL 13 3HG1 VAL 13 9.767 2.831 4.474 89 1HG2 VAL 13 1HG2 VAL 13 6.771 1.762 5.989 90 2HG2 VAL 13 2HG2 VAL 13 6.186 0.842 4.605 91 3HG2 VAL 13 3HG2 VAL 13 5.721 2.531 4.799 92 H ALA 14 H ALA 14 8.306 2.559 0.994 93 HA ALA 14 HA ALA 14 10.882 3.876 1.155 94 1HB ALA 14 1HB ALA 14 10.980 2.757 -1.238 95 2HB ALA 14 2HB ALA 14 9.653 1.809 -0.570 96 3HB ALA 14 3HB ALA 14 11.220 1.826 0.240 97 H MET 15 H MET 15 7.811 4.400 -0.436 98 HA MET 15 HA MET 15 8.979 6.342 -2.281 99 1HB MET 15 1HB MET 15 6.218 5.174 -1.980 100 2HB MET 15 2HB MET 15 6.521 6.571 -3.005 101 1HG MET 15 1HG MET 15 8.204 5.214 -4.236 102 2HG MET 15 2HG MET 15 7.693 3.819 -3.289 103 1HE MET 15 1HE MET 15 6.691 2.450 -5.984 104 2HE MET 15 2HE MET 15 5.164 2.260 -5.124 105 3HE MET 15 3HE MET 15 6.684 2.261 -4.230 106 H GLY 16 H GLY 16 8.543 6.596 0.813 107 1HA GLY 16 1HA GLY 16 8.384 8.477 2.147 108 2HA GLY 16 2HA GLY 16 7.993 9.417 0.717 109 H PHE 17 H PHE 17 6.547 6.934 2.828 110 HA PHE 17 HA PHE 17 4.131 8.559 3.037 111 1HB PHE 17 1HB PHE 17 4.142 5.702 2.047 112 2HB PHE 17 2HB PHE 17 2.700 6.517 2.640 113 HD1 PHE 17 1HD PHE 17 5.092 6.246 -0.091 114 HD2 PHE 17 2HD PHE 17 1.675 8.294 1.374 115 HE1 PHE 17 1HE PHE 17 4.680 7.149 -2.343 116 HE2 PHE 17 2HE PHE 17 1.250 9.209 -0.873 117 HZ PHE 17 HZ PHE 17 2.756 8.635 -2.735 118 H SER 18 H SER 18 2.581 7.481 4.688 119 HA SER 18 HA SER 18 4.231 6.553 6.920 120 1HB SER 18 1HB SER 18 1.467 7.776 6.956 121 2HB SER 18 2HB SER 18 2.397 7.311 8.379 122 HG SER 18 HG SER 18 2.754 9.462 6.640 123 H SER 19 H SER 19 2.301 5.202 4.635 124 HA SER 19 HA SER 19 2.225 2.668 5.776 125 1HB SER 19 1HB SER 19 0.013 4.372 6.620 126 2HB SER 19 2HB SER 19 -0.556 2.919 5.791 127 HG SER 19 HG SER 19 0.710 1.695 7.265 128 H GLY 20 H GLY 20 0.675 1.169 4.587 129 1HA GLY 20 1HA GLY 20 -0.451 2.017 2.113 130 2HA GLY 20 2HA GLY 20 1.100 1.230 1.867 131 H LYS 21 H LYS 21 -1.843 0.473 1.304 132 HA LYS 21 HA LYS 21 -1.535 -2.295 2.100 133 1HB LYS 21 1HB LYS 21 -4.228 -1.211 2.709 134 2HB LYS 21 2HB LYS 21 -3.331 -2.506 3.496 135 1HG LYS 21 1HG LYS 21 -2.021 -0.952 4.705 136 2HG LYS 21 2HG LYS 21 -2.669 0.381 3.757 137 1HD LYS 21 1HD LYS 21 -4.823 0.153 4.753 138 2HD LYS 21 2HD LYS 21 -4.380 -1.386 5.495 139 1HE LYS 21 1HE LYS 21 -2.645 0.865 6.227 140 2HE LYS 21 2HE LYS 21 -4.320 1.038 6.749 141 1HZ LYS 21 1HZ LYS 21 -4.050 -1.312 7.657 142 2HZ LYS 21 2HZ LYS 21 -3.264 -0.066 8.492 143 3HZ LYS 21 3HZ LYS 21 -2.384 -1.080 7.462 144 H CYS 22 H CYS 22 -3.817 -3.345 1.457 145 HA CYS 22 HA CYS 22 -4.425 -2.428 -1.269 146 1HB CYS 22 1HB CYS 22 -3.743 -5.181 -0.288 147 2HB CYS 22 2HB CYS 22 -4.691 -4.956 -1.756 148 H ILE 23 H ILE 23 -6.509 -2.193 -1.719 149 HA ILE 23 HA ILE 23 -8.462 -3.070 0.260 150 HB ILE 23 HB ILE 23 -8.327 -0.683 -0.512 151 1HG1 ILE 23 1HG1 ILE 23 -10.985 -0.814 -1.142 152 2HG1 ILE 23 2HG1 ILE 23 -10.724 -2.364 -0.348 153 1HG2 ILE 23 1HG2 ILE 23 -8.425 -1.837 -3.071 154 2HG2 ILE 23 2HG2 ILE 23 -8.353 -0.129 -2.643 155 3HG2 ILE 23 3HG2 ILE 23 -9.914 -0.914 -2.869 156 1HD1 ILE 23 1HD1 ILE 23 -10.905 0.280 0.783 157 2HD1 ILE 23 2HD1 ILE 23 -9.424 -0.542 1.275 158 3HD1 ILE 23 3HD1 ILE 23 -10.990 -1.296 1.573 159 H ASN 24 H ASN 24 -10.425 -2.799 -2.304 160 HA ASN 24 HA ASN 24 -11.137 -5.340 -2.609 161 1HB ASN 24 1HB ASN 24 -11.523 -2.946 -4.125 162 2HB ASN 24 2HB ASN 24 -11.279 -4.289 -5.236 163 1HD2 ASN 24 1HD2 ASN 24 -13.545 -2.603 -3.551 164 2HD2 ASN 24 2HD2 ASN 24 -14.805 -3.784 -3.506 165 H SER 25 H SER 25 -8.648 -3.737 -4.528 166 HA SER 25 HA SER 25 -6.953 -5.940 -4.665 167 1HB SER 25 1HB SER 25 -9.074 -6.292 -6.403 168 2HB SER 25 2HB SER 25 -7.819 -5.622 -7.445 169 HG SER 25 HG SER 25 -7.590 -7.907 -5.770 170 H LYS 26 H LYS 26 -6.845 -3.121 -4.186 171 HA LYS 26 HA LYS 26 -4.736 -2.451 -6.080 172 1HB LYS 26 1HB LYS 26 -5.572 -0.296 -6.611 173 2HB LYS 26 2HB LYS 26 -6.892 -1.424 -6.873 174 1HG LYS 26 1HG LYS 26 -7.339 -0.666 -4.299 175 2HG LYS 26 2HG LYS 26 -6.663 0.807 -4.994 176 1HD LYS 26 1HD LYS 26 -8.713 -0.580 -6.611 177 2HD LYS 26 2HD LYS 26 -9.275 0.160 -5.114 178 1HE LYS 26 1HE LYS 26 -9.357 2.108 -6.181 179 2HE LYS 26 2HE LYS 26 -7.597 2.062 -6.284 180 1HZ LYS 26 1HZ LYS 26 -9.077 0.562 -8.307 181 2HZ LYS 26 2HZ LYS 26 -7.648 1.457 -8.450 182 3HZ LYS 26 3HZ LYS 26 -9.140 2.252 -8.409 183 H CYS 27 H CYS 27 -3.001 -1.718 -5.085 184 HA CYS 27 HA CYS 27 -2.898 -1.368 -2.292 185 1HB CYS 27 1HB CYS 27 -0.985 -2.297 -3.210 186 2HB CYS 27 2HB CYS 27 -0.986 -1.209 -4.575 187 H LYS 28 H LYS 28 -2.895 0.394 -1.129 188 HA LYS 28 HA LYS 28 -2.879 3.008 -2.479 189 1HB LYS 28 1HB LYS 28 -5.147 2.520 -1.802 190 2HB LYS 28 2HB LYS 28 -4.612 2.101 -0.184 191 1HG LYS 28 1HG LYS 28 -5.578 4.249 -0.057 192 2HG LYS 28 2HG LYS 28 -3.832 4.463 0.073 193 1HD LYS 28 1HD LYS 28 -3.929 4.823 -2.493 194 2HD LYS 28 2HD LYS 28 -5.650 5.101 -2.225 195 1HE LYS 28 1HE LYS 28 -5.265 7.161 -1.477 196 2HE LYS 28 2HE LYS 28 -4.087 6.570 -0.305 197 1HZ LYS 28 1HZ LYS 28 -3.562 7.258 -3.150 198 2HZ LYS 28 2HZ LYS 28 -2.420 6.581 -2.101 199 3HZ LYS 28 3HZ LYS 28 -3.043 8.120 -1.790 200 H CYS 29 H CYS 29 -1.829 4.660 -1.441 201 HA CYS 29 HA CYS 29 -0.080 3.816 0.756 202 1HB CYS 29 1HB CYS 29 0.231 5.954 -1.343 203 2HB CYS 29 2HB CYS 29 1.220 5.925 0.114 204 H TYR 30 H TYR 30 0.119 4.981 2.598 205 HA TYR 30 HA TYR 30 -1.922 7.048 3.035 206 1HB TYR 30 1HB TYR 30 -0.843 4.992 4.962 207 2HB TYR 30 2HB TYR 30 -1.943 6.300 5.401 208 HD1 TYR 30 1HD TYR 30 -4.071 6.468 3.846 209 HD2 TYR 30 2HD TYR 30 -1.777 2.947 4.456 210 HE1 TYR 30 1HE TYR 30 -6.005 5.101 3.166 211 HE2 TYR 30 2HE TYR 30 -3.692 1.572 3.787 212 HH TYR 30 HH TYR 30 -5.795 1.918 2.318 213 H LYS 31 H LYS 31 -0.413 8.542 2.313 214 HA LYS 31 HA LYS 31 2.113 9.054 3.364 215 1HB LYS 31 1HB LYS 31 1.862 11.343 2.531 216 2HB LYS 31 2HB LYS 31 1.292 10.172 1.354 217 1HG LYS 31 1HG LYS 31 -0.518 11.457 1.199 218 2HG LYS 31 2HG LYS 31 -0.993 10.763 2.750 219 1HD LYS 31 1HD LYS 31 0.804 12.848 3.335 220 2HD LYS 31 2HD LYS 31 -0.295 13.477 2.108 221 1HE LYS 31 1HE LYS 31 -1.764 13.844 3.737 222 2HE LYS 31 2HE LYS 31 -1.938 12.096 3.880 223 1HZ LYS 31 1HZ LYS 31 -1.373 12.640 6.005 224 2HZ LYS 31 2HZ LYS 31 -0.413 13.956 5.556 225 3HZ LYS 31 3HZ LYS 31 0.177 12.382 5.380 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -1.021 -9.808 -10.694 2 2H ALA 1 2H ALA 1 -1.081 -11.159 -9.639 3 3H ALA 1 3H ALA 1 -0.520 -9.643 -9.064 4 HA ALA 1 HA ALA 1 -2.764 -8.766 -9.709 5 1HB ALA 1 1HB ALA 1 -4.442 -10.161 -10.270 6 2HB ALA 1 2HB ALA 1 -3.853 -11.463 -9.235 7 3HB ALA 1 3HB ALA 1 -3.117 -11.193 -10.816 8 H ALA 2 H ALA 2 -1.537 -11.330 -7.595 9 HA ALA 2 HA ALA 2 -3.222 -10.849 -5.398 10 1HB ALA 2 1HB ALA 2 -1.687 -12.145 -4.106 11 2HB ALA 2 2HB ALA 2 -0.390 -11.871 -5.268 12 3HB ALA 2 3HB ALA 2 -1.780 -12.859 -5.715 13 H CYS 3 H CYS 3 -3.405 -9.075 -4.221 14 HA CYS 3 HA CYS 3 -1.166 -7.195 -4.074 15 1HB CYS 3 1HB CYS 3 -3.552 -6.527 -4.774 16 2HB CYS 3 2HB CYS 3 -3.965 -6.697 -3.072 17 H TYR 4 H TYR 4 0.000 -6.944 -2.261 18 HA TYR 4 HA TYR 4 -1.060 -8.103 0.234 19 1HB TYR 4 1HB TYR 4 1.588 -8.274 -1.045 20 2HB TYR 4 2HB TYR 4 1.627 -7.930 0.677 21 HD1 TYR 4 1HD TYR 4 0.227 -10.321 -1.808 22 HD2 TYR 4 2HD TYR 4 1.378 -9.648 2.231 23 HE1 TYR 4 1HE TYR 4 -0.121 -12.705 -1.319 24 HE2 TYR 4 2HE TYR 4 1.035 -12.025 2.734 25 HH TYR 4 HH TYR 4 1.089 -14.274 1.153 26 H SER 5 H SER 5 -1.511 -6.685 1.778 27 HA SER 5 HA SER 5 -1.026 -3.930 1.541 28 1HB SER 5 1HB SER 5 -1.681 -3.896 4.015 29 2HB SER 5 2HB SER 5 -2.860 -4.577 2.893 30 HG SER 5 HG SER 5 -1.199 -5.892 4.743 31 H SER 6 H SER 6 0.901 -6.497 2.885 32 HA SER 6 HA SER 6 2.597 -4.810 4.463 33 1HB SER 6 1HB SER 6 2.752 -7.677 3.544 34 2HB SER 6 2HB SER 6 4.129 -6.908 4.331 35 HG SER 6 HG SER 6 1.844 -7.863 5.417 36 H ASP 7 H ASP 7 2.733 -6.214 1.221 37 HA ASP 7 HA ASP 7 5.343 -5.242 0.610 38 1HB ASP 7 1HB ASP 7 3.615 -6.995 -0.600 39 2HB ASP 7 2HB ASP 7 3.468 -5.590 -1.642 40 H CYS 8 H CYS 8 2.055 -4.156 -0.060 41 HA CYS 8 HA CYS 8 2.536 -1.878 -1.549 42 1HB CYS 8 1HB CYS 8 0.281 -2.704 -1.062 43 2HB CYS 8 2HB CYS 8 0.472 -2.270 0.626 44 H ARG 9 H ARG 9 2.276 -2.174 1.965 45 HA ARG 9 HA ARG 9 2.810 0.451 2.653 46 1HB ARG 9 1HB ARG 9 2.030 -1.043 4.329 47 2HB ARG 9 2HB ARG 9 3.397 -2.127 4.097 48 1HG ARG 9 1HG ARG 9 4.772 -0.890 5.358 49 2HG ARG 9 2HG ARG 9 4.065 0.635 4.825 50 1HD ARG 9 1HD ARG 9 3.216 0.696 6.912 51 2HD ARG 9 2HD ARG 9 2.012 -0.412 6.256 52 HE ARG 9 HE ARG 9 4.148 -1.039 8.104 53 1HH1 ARG 9 1HH1 ARG 9 1.756 -2.310 5.884 54 2HH1 ARG 9 2HH1 ARG 9 1.760 -3.890 6.591 55 1HH2 ARG 9 1HH2 ARG 9 4.149 -3.120 9.029 56 2HH2 ARG 9 2HH2 ARG 9 3.118 -4.350 8.379 57 H VAL 10 H VAL 10 5.115 -2.238 2.158 58 HA VAL 10 HA VAL 10 7.436 -0.842 2.866 59 HB VAL 10 HB VAL 10 7.158 -3.004 0.766 60 1HG1 VAL 10 1HG1 VAL 10 9.610 -2.174 2.312 61 2HG1 VAL 10 2HG1 VAL 10 9.275 -1.716 0.644 62 3HG1 VAL 10 3HG1 VAL 10 9.513 -3.412 1.062 63 1HG2 VAL 10 1HG2 VAL 10 6.544 -3.252 3.402 64 2HG2 VAL 10 2HG2 VAL 10 8.251 -3.691 3.402 65 3HG2 VAL 10 3HG2 VAL 10 7.116 -4.568 2.378 66 H LYS 11 H LYS 11 5.644 -0.989 -0.165 67 HA LYS 11 HA LYS 11 7.519 0.499 -1.697 68 1HB LYS 11 1HB LYS 11 4.550 0.243 -2.175 69 2HB LYS 11 2HB LYS 11 5.773 0.674 -3.361 70 1HG LYS 11 1HG LYS 11 6.329 -1.886 -2.121 71 2HG LYS 11 2HG LYS 11 4.737 -1.844 -2.884 72 1HD LYS 11 1HD LYS 11 5.687 -1.193 -4.982 73 2HD LYS 11 2HD LYS 11 7.279 -0.973 -4.250 74 1HE LYS 11 1HE LYS 11 6.120 -3.638 -3.856 75 2HE LYS 11 2HE LYS 11 6.437 -3.227 -5.541 76 1HZ LYS 11 1HZ LYS 11 8.658 -3.224 -5.218 77 2HZ LYS 11 2HZ LYS 11 8.270 -4.269 -3.946 78 3HZ LYS 11 3HZ LYS 11 8.560 -2.633 -3.634 79 H CYS 12 H CYS 12 4.880 1.333 0.425 80 HA CYS 12 HA CYS 12 4.843 4.102 -0.392 81 1HB CYS 12 1HB CYS 12 3.526 2.748 1.969 82 2HB CYS 12 2HB CYS 12 3.222 4.398 1.436 83 H VAL 13 H VAL 13 6.209 2.171 2.240 84 HA VAL 13 HA VAL 13 7.068 4.316 3.863 85 HB VAL 13 HB VAL 13 8.204 1.533 3.559 86 1HG1 VAL 13 1HG1 VAL 13 9.116 2.008 5.890 87 2HG1 VAL 13 2HG1 VAL 13 8.814 3.709 5.541 88 3HG1 VAL 13 3HG1 VAL 13 9.936 2.792 4.538 89 1HG2 VAL 13 1HG2 VAL 13 6.674 0.799 5.038 90 2HG2 VAL 13 2HG2 VAL 13 5.759 2.207 4.498 91 3HG2 VAL 13 3HG2 VAL 13 6.713 2.287 5.981 92 H ALA 14 H ALA 14 8.453 2.728 1.057 93 HA ALA 14 HA ALA 14 10.962 4.175 1.258 94 1HB ALA 14 1HB ALA 14 10.426 1.751 0.284 95 2HB ALA 14 2HB ALA 14 11.782 2.731 -0.274 96 3HB ALA 14 3HB ALA 14 10.283 2.692 -1.201 97 H MET 15 H MET 15 7.887 4.532 -0.337 98 HA MET 15 HA MET 15 8.964 6.487 -2.224 99 1HB MET 15 1HB MET 15 6.233 5.251 -1.884 100 2HB MET 15 2HB MET 15 6.526 6.598 -2.976 101 1HG MET 15 1HG MET 15 8.261 4.205 -3.220 102 2HG MET 15 2HG MET 15 6.596 4.090 -3.786 103 1HE MET 15 1HE MET 15 8.628 3.426 -5.757 104 2HE MET 15 2HE MET 15 9.959 4.435 -5.192 105 3HE MET 15 3HE MET 15 9.288 4.683 -6.804 106 H GLY 16 H GLY 16 8.532 6.764 0.863 107 1HA GLY 16 1HA GLY 16 8.275 8.631 2.191 108 2HA GLY 16 2HA GLY 16 7.899 9.557 0.750 109 H PHE 17 H PHE 17 6.460 7.079 2.870 110 HA PHE 17 HA PHE 17 3.997 8.642 2.960 111 1HB PHE 17 1HB PHE 17 4.132 5.770 2.033 112 2HB PHE 17 2HB PHE 17 2.645 6.530 2.589 113 HD1 PHE 17 1HD PHE 17 5.061 6.262 -0.106 114 HD2 PHE 17 2HD PHE 17 1.607 8.303 1.289 115 HE1 PHE 17 1HE PHE 17 4.661 7.118 -2.377 116 HE2 PHE 17 2HE PHE 17 1.196 9.168 -0.980 117 HZ PHE 17 HZ PHE 17 2.724 8.576 -2.817 118 H SER 18 H SER 18 2.435 7.643 4.609 119 HA SER 18 HA SER 18 4.012 6.963 6.956 120 1HB SER 18 1HB SER 18 1.947 8.668 6.697 121 2HB SER 18 2HB SER 18 1.069 7.224 7.203 122 HG SER 18 HG SER 18 2.110 7.232 9.102 123 H SER 19 H SER 19 2.582 5.186 4.604 124 HA SER 19 HA SER 19 2.970 2.695 5.512 125 1HB SER 19 1HB SER 19 0.717 3.847 6.971 126 2HB SER 19 2HB SER 19 0.294 2.347 6.149 127 HG SER 19 HG SER 19 1.121 1.638 8.007 128 H GLY 20 H GLY 20 1.013 1.088 4.696 129 1HA GLY 20 1HA GLY 20 -0.356 2.043 2.350 130 2HA GLY 20 2HA GLY 20 1.055 1.072 1.962 131 H LYS 21 H LYS 21 -1.626 0.374 1.271 132 HA LYS 21 HA LYS 21 -1.735 -2.226 2.544 133 1HB LYS 21 1HB LYS 21 -3.999 -2.103 3.272 134 2HB LYS 21 2HB LYS 21 -3.168 -0.723 3.941 135 1HG LYS 21 1HG LYS 21 -4.094 0.665 2.090 136 2HG LYS 21 2HG LYS 21 -5.038 -0.738 1.593 137 1HD LYS 21 1HD LYS 21 -5.602 -0.561 4.274 138 2HD LYS 21 2HD LYS 21 -5.473 1.133 3.796 139 1HE LYS 21 1HE LYS 21 -7.773 0.261 3.607 140 2HE LYS 21 2HE LYS 21 -7.124 0.816 2.065 141 1HZ LYS 21 1HZ LYS 21 -6.768 -2.010 2.708 142 2HZ LYS 21 2HZ LYS 21 -7.098 -1.270 1.223 143 3HZ LYS 21 3HZ LYS 21 -8.343 -1.506 2.344 144 H CYS 22 H CYS 22 -4.120 -3.089 1.638 145 HA CYS 22 HA CYS 22 -4.075 -2.649 -1.261 146 1HB CYS 22 1HB CYS 22 -3.790 -5.214 0.247 147 2HB CYS 22 2HB CYS 22 -4.543 -5.220 -1.349 148 H ILE 23 H ILE 23 -6.023 -2.337 -2.111 149 HA ILE 23 HA ILE 23 -8.365 -2.793 -0.428 150 HB ILE 23 HB ILE 23 -7.806 -0.539 -1.500 151 1HG1 ILE 23 1HG1 ILE 23 -10.423 -0.630 -2.430 152 2HG1 ILE 23 2HG1 ILE 23 -10.344 -1.916 -1.231 153 1HG2 ILE 23 1HG2 ILE 23 -9.199 -1.142 -3.965 154 2HG2 ILE 23 2HG2 ILE 23 -7.673 -2.013 -3.831 155 3HG2 ILE 23 3HG2 ILE 23 -7.699 -0.257 -3.693 156 1HD1 ILE 23 1HD1 ILE 23 -10.346 0.964 -0.880 157 2HD1 ILE 23 2HD1 ILE 23 -9.060 0.158 0.019 158 3HD1 ILE 23 3HD1 ILE 23 -10.741 -0.320 0.263 159 H ASN 24 H ASN 24 -10.009 -2.761 -3.075 160 HA ASN 24 HA ASN 24 -10.689 -5.321 -3.318 161 1HB ASN 24 1HB ASN 24 -10.985 -2.993 -4.942 162 2HB ASN 24 2HB ASN 24 -10.634 -4.363 -5.991 163 1HD2 ASN 24 1HD2 ASN 24 -13.090 -2.658 -5.123 164 2HD2 ASN 24 2HD2 ASN 24 -14.321 -3.852 -4.912 165 H SER 25 H SER 25 -8.043 -3.772 -5.050 166 HA SER 25 HA SER 25 -6.362 -5.982 -5.038 167 1HB SER 25 1HB SER 25 -8.333 -6.417 -6.880 168 2HB SER 25 2HB SER 25 -7.098 -5.647 -7.874 169 HG SER 25 HG SER 25 -6.184 -7.531 -7.891 170 H LYS 26 H LYS 26 -6.286 -3.177 -4.572 171 HA LYS 26 HA LYS 26 -4.057 -2.487 -6.329 172 1HB LYS 26 1HB LYS 26 -6.589 -0.913 -6.045 173 2HB LYS 26 2HB LYS 26 -5.071 -0.073 -6.328 174 1HG LYS 26 1HG LYS 26 -4.731 -1.362 -8.373 175 2HG LYS 26 2HG LYS 26 -6.253 -2.209 -8.092 176 1HD LYS 26 1HD LYS 26 -7.329 0.112 -8.065 177 2HD LYS 26 2HD LYS 26 -5.814 0.685 -8.765 178 1HE LYS 26 1HE LYS 26 -7.641 -1.419 -9.925 179 2HE LYS 26 2HE LYS 26 -7.453 0.235 -10.507 180 1HZ LYS 26 1HZ LYS 26 -5.157 -0.249 -11.062 181 2HZ LYS 26 2HZ LYS 26 -6.187 -1.342 -11.841 182 3HZ LYS 26 3HZ LYS 26 -5.313 -1.830 -10.477 183 H CYS 27 H CYS 27 -2.396 -1.811 -5.182 184 HA CYS 27 HA CYS 27 -2.424 -1.479 -2.409 185 1HB CYS 27 1HB CYS 27 -0.403 -2.196 -3.265 186 2HB CYS 27 2HB CYS 27 -0.457 -1.090 -4.618 187 H LYS 28 H LYS 28 -2.543 0.206 -1.177 188 HA LYS 28 HA LYS 28 -2.714 2.892 -2.361 189 1HB LYS 28 1HB LYS 28 -4.958 2.205 -1.767 190 2HB LYS 28 2HB LYS 28 -4.428 1.730 -0.160 191 1HG LYS 28 1HG LYS 28 -4.142 3.943 0.526 192 2HG LYS 28 2HG LYS 28 -4.173 4.552 -1.130 193 1HD LYS 28 1HD LYS 28 -6.562 3.128 -0.035 194 2HD LYS 28 2HD LYS 28 -6.272 4.809 0.415 195 1HE LYS 28 1HE LYS 28 -5.953 5.087 -2.194 196 2HE LYS 28 2HE LYS 28 -6.950 3.634 -2.239 197 1HZ LYS 28 1HZ LYS 28 -7.654 6.347 -1.414 198 2HZ LYS 28 2HZ LYS 28 -8.394 5.075 -0.583 199 3HZ LYS 28 3HZ LYS 28 -8.569 5.202 -2.260 200 H CYS 29 H CYS 29 -1.854 4.576 -1.124 201 HA CYS 29 HA CYS 29 -0.031 3.658 0.978 202 1HB CYS 29 1HB CYS 29 0.045 6.059 -0.836 203 2HB CYS 29 2HB CYS 29 1.085 5.912 0.577 204 H TYR 30 H TYR 30 0.217 4.781 2.891 205 HA TYR 30 HA TYR 30 -2.208 6.120 3.816 206 1HB TYR 30 1HB TYR 30 0.146 4.929 5.286 207 2HB TYR 30 2HB TYR 30 -1.146 5.810 6.086 208 HD1 TYR 30 1HD TYR 30 -1.356 3.700 7.438 209 HD2 TYR 30 2HD TYR 30 -2.227 3.816 3.277 210 HE1 TYR 30 1HE TYR 30 -2.650 1.623 7.656 211 HE2 TYR 30 2HE TYR 30 -3.517 1.743 3.481 212 HH TYR 30 HH TYR 30 -4.676 0.556 6.230 213 H LYS 31 H LYS 31 -1.325 7.909 2.347 214 HA LYS 31 HA LYS 31 0.871 9.472 2.890 215 1HB LYS 31 1HB LYS 31 -1.812 10.651 2.168 216 2HB LYS 31 2HB LYS 31 -0.218 11.262 1.752 217 1HG LYS 31 1HG LYS 31 -0.013 8.968 0.496 218 2HG LYS 31 2HG LYS 31 -1.775 9.033 0.545 219 1HD LYS 31 1HD LYS 31 -0.175 11.381 -0.414 220 2HD LYS 31 2HD LYS 31 -0.549 10.040 -1.495 221 1HE LYS 31 1HE LYS 31 -2.519 11.788 -0.023 222 2HE LYS 31 2HE LYS 31 -2.210 11.770 -1.759 223 1HZ LYS 31 1HZ LYS 31 -4.061 10.461 -1.630 224 2HZ LYS 31 2HZ LYS 31 -3.669 9.830 -0.111 225 3HZ LYS 31 3HZ LYS 31 -2.866 9.269 -1.490 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -3.847 -9.656 -10.241 2 2H ALA 1 2H ALA 1 -3.249 -11.262 -10.334 3 3H ALA 1 3H ALA 1 -2.729 -10.084 -11.467 4 HA ALA 1 HA ALA 1 -1.118 -10.617 -9.726 5 1HB ALA 1 1HB ALA 1 -0.972 -8.039 -9.060 6 2HB ALA 1 2HB ALA 1 -2.136 -7.914 -10.379 7 3HB ALA 1 3HB ALA 1 -0.551 -8.633 -10.666 8 H ALA 2 H ALA 2 -0.623 -10.807 -7.598 9 HA ALA 2 HA ALA 2 -2.836 -10.629 -5.718 10 1HB ALA 2 1HB ALA 2 -0.058 -11.769 -5.399 11 2HB ALA 2 2HB ALA 2 -1.542 -12.671 -5.708 12 3HB ALA 2 3HB ALA 2 -1.328 -11.828 -4.175 13 H CYS 3 H CYS 3 -3.177 -8.788 -4.686 14 HA CYS 3 HA CYS 3 -0.977 -6.924 -4.235 15 1HB CYS 3 1HB CYS 3 -3.367 -6.347 -5.139 16 2HB CYS 3 2HB CYS 3 -3.823 -6.387 -3.440 17 H TYR 4 H TYR 4 0.108 -6.921 -2.369 18 HA TYR 4 HA TYR 4 -1.200 -8.041 0.021 19 1HB TYR 4 1HB TYR 4 1.535 -8.196 -1.033 20 2HB TYR 4 2HB TYR 4 1.454 -7.826 0.679 21 HD1 TYR 4 1HD TYR 4 0.908 -9.485 2.268 22 HD2 TYR 4 2HD TYR 4 0.435 -10.297 -1.881 23 HE1 TYR 4 1HE TYR 4 0.537 -11.859 2.783 24 HE2 TYR 4 2HE TYR 4 0.062 -12.674 -1.380 25 HH TYR 4 HH TYR 4 0.790 -14.265 0.661 26 H SER 5 H SER 5 -1.254 -6.930 1.928 27 HA SER 5 HA SER 5 -1.074 -4.080 1.759 28 1HB SER 5 1HB SER 5 -1.577 -4.334 4.316 29 2HB SER 5 2HB SER 5 -2.823 -4.748 3.139 30 HG SER 5 HG SER 5 -1.271 -6.417 4.763 31 H SER 6 H SER 6 0.974 -6.628 3.016 32 HA SER 6 HA SER 6 2.630 -4.882 4.578 33 1HB SER 6 1HB SER 6 2.636 -7.757 3.851 34 2HB SER 6 2HB SER 6 4.219 -7.047 4.165 35 HG SER 6 HG SER 6 3.491 -6.417 6.201 36 H ASP 7 H ASP 7 2.758 -6.246 1.326 37 HA ASP 7 HA ASP 7 5.342 -5.198 0.700 38 1HB ASP 7 1HB ASP 7 3.666 -7.009 -0.498 39 2HB ASP 7 2HB ASP 7 3.458 -5.607 -1.535 40 H CYS 8 H CYS 8 2.013 -4.230 0.070 41 HA CYS 8 HA CYS 8 2.383 -1.933 -1.420 42 1HB CYS 8 1HB CYS 8 0.177 -2.885 -0.877 43 2HB CYS 8 2HB CYS 8 0.369 -2.383 0.791 44 H ARG 9 H ARG 9 2.184 -2.229 2.106 45 HA ARG 9 HA ARG 9 2.661 0.420 2.763 46 1HB ARG 9 1HB ARG 9 1.922 -1.213 4.409 47 2HB ARG 9 2HB ARG 9 3.457 -2.066 4.282 48 1HG ARG 9 1HG ARG 9 4.534 0.125 4.963 49 2HG ARG 9 2HG ARG 9 2.913 0.636 5.430 50 1HD ARG 9 1HD ARG 9 3.939 -0.227 7.392 51 2HD ARG 9 2HD ARG 9 2.778 -1.437 6.849 52 HE ARG 9 HE ARG 9 4.513 -2.873 6.367 53 1HH1 ARG 9 1HH1 ARG 9 5.803 0.299 7.109 54 2HH1 ARG 9 2HH1 ARG 9 7.440 -0.254 7.208 55 1HH2 ARG 9 1HH2 ARG 9 6.675 -3.595 6.494 56 2HH2 ARG 9 2HH2 ARG 9 7.936 -2.465 6.861 57 H VAL 10 H VAL 10 5.027 -2.242 2.366 58 HA VAL 10 HA VAL 10 7.316 -0.786 3.032 59 HB VAL 10 HB VAL 10 7.081 -3.024 1.008 60 1HG1 VAL 10 1HG1 VAL 10 9.574 -3.272 1.961 61 2HG1 VAL 10 2HG1 VAL 10 9.391 -1.522 2.076 62 3HG1 VAL 10 3HG1 VAL 10 9.180 -2.328 0.524 63 1HG2 VAL 10 1HG2 VAL 10 6.514 -3.173 3.666 64 2HG2 VAL 10 2HG2 VAL 10 8.230 -3.581 3.652 65 3HG2 VAL 10 3HG2 VAL 10 7.093 -4.519 2.684 66 H LYS 11 H LYS 11 5.575 -1.044 -0.027 67 HA LYS 11 HA LYS 11 7.452 0.424 -1.576 68 1HB LYS 11 1HB LYS 11 4.491 0.034 -2.029 69 2HB LYS 11 2HB LYS 11 5.642 0.605 -3.229 70 1HG LYS 11 1HG LYS 11 6.530 -1.475 -3.569 71 2HG LYS 11 2HG LYS 11 6.121 -2.039 -1.947 72 1HD LYS 11 1HD LYS 11 4.398 -3.098 -2.896 73 2HD LYS 11 2HD LYS 11 3.661 -1.507 -3.081 74 1HE LYS 11 1HE LYS 11 3.926 -1.521 -5.300 75 2HE LYS 11 2HE LYS 11 5.585 -2.103 -5.179 76 1HZ LYS 11 1HZ LYS 11 4.661 -3.904 -6.151 77 2HZ LYS 11 2HZ LYS 11 3.113 -3.601 -5.543 78 3HZ LYS 11 3HZ LYS 11 4.282 -4.318 -4.553 79 H CYS 12 H CYS 12 4.807 1.306 0.517 80 HA CYS 12 HA CYS 12 4.758 4.052 -0.382 81 1HB CYS 12 1HB CYS 12 3.440 2.759 2.014 82 2HB CYS 12 2HB CYS 12 3.124 4.389 1.423 83 H VAL 13 H VAL 13 6.103 2.198 2.314 84 HA VAL 13 HA VAL 13 6.959 4.376 3.886 85 HB VAL 13 HB VAL 13 8.111 1.593 3.646 86 1HG1 VAL 13 1HG1 VAL 13 9.797 2.943 4.631 87 2HG1 VAL 13 2HG1 VAL 13 9.009 2.083 5.955 88 3HG1 VAL 13 3HG1 VAL 13 8.627 3.779 5.652 89 1HG2 VAL 13 1HG2 VAL 13 6.606 2.290 6.049 90 2HG2 VAL 13 2HG2 VAL 13 6.500 0.866 5.014 91 3HG2 VAL 13 3HG2 VAL 13 5.643 2.342 4.571 92 H ALA 14 H ALA 14 8.375 2.717 1.132 93 HA ALA 14 HA ALA 14 10.875 4.182 1.314 94 1HB ALA 14 1HB ALA 14 11.561 2.901 -0.601 95 2HB ALA 14 2HB ALA 14 9.914 2.327 -0.852 96 3HB ALA 14 3HB ALA 14 10.816 1.824 0.579 97 H MET 15 H MET 15 7.806 4.492 -0.302 98 HA MET 15 HA MET 15 8.889 6.381 -2.253 99 1HB MET 15 1HB MET 15 6.167 5.142 -1.873 100 2HB MET 15 2HB MET 15 6.429 6.483 -2.981 101 1HG MET 15 1HG MET 15 7.976 3.916 -3.131 102 2HG MET 15 2HG MET 15 6.460 4.182 -3.991 103 1HE MET 15 1HE MET 15 6.809 3.908 -6.014 104 2HE MET 15 2HE MET 15 8.398 3.985 -6.778 105 3HE MET 15 3HE MET 15 7.220 5.267 -7.059 106 H GLY 16 H GLY 16 8.449 6.763 0.829 107 1HA GLY 16 1HA GLY 16 8.252 8.704 2.064 108 2HA GLY 16 2HA GLY 16 7.799 9.556 0.599 109 H PHE 17 H PHE 17 6.460 7.064 2.773 110 HA PHE 17 HA PHE 17 4.013 8.634 3.033 111 1HB PHE 17 1HB PHE 17 4.057 5.773 2.048 112 2HB PHE 17 2HB PHE 17 2.610 6.590 2.633 113 HD1 PHE 17 1HD PHE 17 1.574 8.339 1.342 114 HD2 PHE 17 2HD PHE 17 5.010 6.304 -0.096 115 HE1 PHE 17 1HE PHE 17 1.140 9.224 -0.914 116 HE2 PHE 17 2HE PHE 17 4.593 7.181 -2.358 117 HZ PHE 17 HZ PHE 17 2.655 8.645 -2.770 118 H SER 18 H SER 18 2.505 7.478 4.695 119 HA SER 18 HA SER 18 4.224 6.626 6.900 120 1HB SER 18 1HB SER 18 2.900 7.790 8.308 121 2HB SER 18 2HB SER 18 2.265 8.546 6.850 122 HG SER 18 HG SER 18 0.744 7.514 8.440 123 H SER 19 H SER 19 2.260 5.224 4.639 124 HA SER 19 HA SER 19 2.442 2.650 5.668 125 1HB SER 19 1HB SER 19 0.240 4.164 6.799 126 2HB SER 19 2HB SER 19 -0.354 2.754 5.915 127 HG SER 19 HG SER 19 0.358 2.578 8.267 128 H GLY 20 H GLY 20 0.681 1.142 4.604 129 1HA GLY 20 1HA GLY 20 -0.559 2.010 2.199 130 2HA GLY 20 2HA GLY 20 0.985 1.249 1.852 131 H LYS 21 H LYS 21 -1.903 0.453 1.345 132 HA LYS 21 HA LYS 21 -1.525 -2.313 2.078 133 1HB LYS 21 1HB LYS 21 -3.657 -2.632 3.121 134 2HB LYS 21 2HB LYS 21 -2.797 -1.378 3.975 135 1HG LYS 21 1HG LYS 21 -4.132 0.290 2.627 136 2HG LYS 21 2HG LYS 21 -5.118 -1.079 2.107 137 1HD LYS 21 1HD LYS 21 -5.047 -1.437 4.813 138 2HD LYS 21 2HD LYS 21 -5.044 0.321 4.682 139 1HE LYS 21 1HE LYS 21 -7.283 0.037 4.604 140 2HE LYS 21 2HE LYS 21 -6.962 -0.253 2.896 141 1HZ LYS 21 1HZ LYS 21 -6.647 -2.703 3.820 142 2HZ LYS 21 2HZ LYS 21 -8.157 -2.103 3.352 143 3HZ LYS 21 3HZ LYS 21 -7.732 -2.135 4.988 144 H CYS 22 H CYS 22 -3.683 -3.466 1.343 145 HA CYS 22 HA CYS 22 -4.262 -2.510 -1.378 146 1HB CYS 22 1HB CYS 22 -3.660 -5.298 -0.408 147 2HB CYS 22 2HB CYS 22 -4.404 -4.979 -1.972 148 H ILE 23 H ILE 23 -6.325 -2.313 -1.893 149 HA ILE 23 HA ILE 23 -8.336 -3.263 -0.008 150 HB ILE 23 HB ILE 23 -8.224 -0.857 -0.743 151 1HG1 ILE 23 1HG1 ILE 23 -10.849 -1.035 -1.468 152 2HG1 ILE 23 2HG1 ILE 23 -10.585 -2.600 -0.704 153 1HG2 ILE 23 1HG2 ILE 23 -8.181 -0.276 -2.867 154 2HG2 ILE 23 2HG2 ILE 23 -9.714 -1.097 -3.162 155 3HG2 ILE 23 3HG2 ILE 23 -8.196 -1.982 -3.317 156 1HD1 ILE 23 1HD1 ILE 23 -10.953 -1.583 1.229 157 2HD1 ILE 23 2HD1 ILE 23 -10.861 0.014 0.486 158 3HD1 ILE 23 3HD1 ILE 23 -9.389 -0.798 1.018 159 H ASN 24 H ASN 24 -10.205 -2.992 -2.629 160 HA ASN 24 HA ASN 24 -10.843 -5.542 -3.018 161 1HB ASN 24 1HB ASN 24 -11.244 -3.121 -4.481 162 2HB ASN 24 2HB ASN 24 -10.928 -4.423 -5.622 163 1HD2 ASN 24 1HD2 ASN 24 -13.376 -2.815 -4.575 164 2HD2 ASN 24 2HD2 ASN 24 -14.569 -4.044 -4.362 165 H SER 25 H SER 25 -8.317 -3.842 -4.801 166 HA SER 25 HA SER 25 -6.595 -6.018 -4.956 167 1HB SER 25 1HB SER 25 -8.455 -6.768 -6.557 168 2HB SER 25 2HB SER 25 -7.878 -5.498 -7.635 169 HG SER 25 HG SER 25 -6.430 -7.741 -6.674 170 H LYS 26 H LYS 26 -6.547 -3.204 -4.410 171 HA LYS 26 HA LYS 26 -4.384 -2.473 -6.213 172 1HB LYS 26 1HB LYS 26 -5.240 -0.339 -6.777 173 2HB LYS 26 2HB LYS 26 -6.525 -1.494 -7.090 174 1HG LYS 26 1HG LYS 26 -7.111 -0.771 -4.551 175 2HG LYS 26 2HG LYS 26 -6.404 0.722 -5.173 176 1HD LYS 26 1HD LYS 26 -8.689 0.916 -5.652 177 2HD LYS 26 2HD LYS 26 -7.965 0.407 -7.179 178 1HE LYS 26 1HE LYS 26 -8.530 -1.993 -6.046 179 2HE LYS 26 2HE LYS 26 -9.839 -1.005 -5.399 180 1HZ LYS 26 1HZ LYS 26 -9.176 -1.443 -8.259 181 2HZ LYS 26 2HZ LYS 26 -10.317 -0.318 -7.721 182 3HZ LYS 26 3HZ LYS 26 -10.561 -1.967 -7.436 183 H CYS 27 H CYS 27 -2.704 -1.757 -5.128 184 HA CYS 27 HA CYS 27 -2.751 -1.365 -2.333 185 1HB CYS 27 1HB CYS 27 -0.796 -2.312 -3.136 186 2HB CYS 27 2HB CYS 27 -0.715 -1.237 -4.510 187 H LYS 28 H LYS 28 -2.855 0.394 -1.221 188 HA LYS 28 HA LYS 28 -2.757 3.003 -2.577 189 1HB LYS 28 1HB LYS 28 -5.051 2.499 -1.976 190 2HB LYS 28 2HB LYS 28 -4.572 2.128 -0.328 191 1HG LYS 28 1HG LYS 28 -5.457 4.246 -0.141 192 2HG LYS 28 2HG LYS 28 -3.727 4.560 -0.267 193 1HD LYS 28 1HD LYS 28 -4.575 4.528 -2.899 194 2HD LYS 28 2HD LYS 28 -5.899 5.325 -2.048 195 1HE LYS 28 1HE LYS 28 -4.648 7.139 -1.519 196 2HE LYS 28 2HE LYS 28 -3.168 6.200 -1.333 197 1HZ LYS 28 1HZ LYS 28 -3.309 7.800 -3.285 198 2HZ LYS 28 2HZ LYS 28 -4.366 6.687 -3.994 199 3HZ LYS 28 3HZ LYS 28 -2.781 6.227 -3.619 200 H CYS 29 H CYS 29 -1.755 4.671 -1.488 201 HA CYS 29 HA CYS 29 -0.062 3.811 0.747 202 1HB CYS 29 1HB CYS 29 0.269 5.992 -1.303 203 2HB CYS 29 2HB CYS 29 1.231 5.942 0.171 204 H TYR 30 H TYR 30 0.102 4.955 2.611 205 HA TYR 30 HA TYR 30 -1.996 6.951 3.077 206 1HB TYR 30 1HB TYR 30 -0.792 4.954 4.993 207 2HB TYR 30 2HB TYR 30 -1.995 6.171 5.420 208 HD1 TYR 30 1HD TYR 30 -1.620 2.833 4.621 209 HD2 TYR 30 2HD TYR 30 -4.049 6.186 3.681 210 HE1 TYR 30 1HE TYR 30 -3.408 1.319 3.918 211 HE2 TYR 30 2HE TYR 30 -5.865 4.683 2.966 212 HH TYR 30 HH TYR 30 -6.547 2.228 3.532 213 H LYS 31 H LYS 31 -0.477 8.467 2.296 214 HA LYS 31 HA LYS 31 2.006 9.097 3.354 215 1HB LYS 31 1HB LYS 31 1.510 11.455 2.608 216 2HB LYS 31 2HB LYS 31 1.303 10.219 1.377 217 1HG LYS 31 1HG LYS 31 -1.152 10.248 1.894 218 2HG LYS 31 2HG LYS 31 -0.848 11.649 2.921 219 1HD LYS 31 1HD LYS 31 0.198 12.751 0.907 220 2HD LYS 31 2HD LYS 31 -0.430 11.411 -0.054 221 1HE LYS 31 1HE LYS 31 -2.621 12.061 0.220 222 2HE LYS 31 2HE LYS 31 -2.293 12.907 1.732 223 1HZ LYS 31 1HZ LYS 31 -2.639 14.610 0.227 224 2HZ LYS 31 2HZ LYS 31 -1.833 13.821 -1.034 225 3HZ LYS 31 3HZ LYS 31 -0.951 14.495 0.245 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -2.871 -10.302 -10.357 2 2H ALA 1 2H ALA 1 -2.151 -11.799 -9.926 3 3H ALA 1 3H ALA 1 -1.509 -10.880 -11.225 4 HA ALA 1 HA ALA 1 -0.237 -10.781 -9.147 5 1HB ALA 1 1HB ALA 1 -0.266 -8.163 -9.185 6 2HB ALA 1 2HB ALA 1 -1.322 -8.399 -10.579 7 3HB ALA 1 3HB ALA 1 0.308 -9.071 -10.584 8 H ALA 2 H ALA 2 -0.936 -11.435 -7.174 9 HA ALA 2 HA ALA 2 -3.236 -10.429 -5.864 10 1HB ALA 2 1HB ALA 2 -0.887 -11.741 -4.512 11 2HB ALA 2 2HB ALA 2 -2.106 -12.636 -5.418 12 3HB ALA 2 3HB ALA 2 -2.572 -11.715 -3.987 13 H CYS 3 H CYS 3 -3.459 -8.955 -4.195 14 HA CYS 3 HA CYS 3 -1.268 -7.012 -3.967 15 1HB CYS 3 1HB CYS 3 -3.665 -6.408 -4.788 16 2HB CYS 3 2HB CYS 3 -4.090 -6.485 -3.084 17 H TYR 4 H TYR 4 -0.171 -6.858 -2.117 18 HA TYR 4 HA TYR 4 -1.383 -7.965 0.336 19 1HB TYR 4 1HB TYR 4 1.294 -8.249 -0.836 20 2HB TYR 4 2HB TYR 4 1.308 -7.839 0.869 21 HD1 TYR 4 1HD TYR 4 -0.831 -10.083 -1.233 22 HD2 TYR 4 2HD TYR 4 1.702 -9.696 2.163 23 HE1 TYR 4 1HE TYR 4 -1.244 -12.439 -0.664 24 HE2 TYR 4 2HE TYR 4 1.297 -12.049 2.742 25 HH TYR 4 HH TYR 4 -0.531 -13.769 2.306 26 H SER 5 H SER 5 -1.492 -6.719 2.129 27 HA SER 5 HA SER 5 -1.125 -3.911 1.873 28 1HB SER 5 1HB SER 5 -1.896 -3.767 4.167 29 2HB SER 5 2HB SER 5 -2.869 -4.967 3.317 30 HG SER 5 HG SER 5 -1.023 -5.297 5.368 31 H SER 6 H SER 6 0.848 -6.501 3.155 32 HA SER 6 HA SER 6 2.626 -4.803 4.626 33 1HB SER 6 1HB SER 6 2.205 -7.420 4.795 34 2HB SER 6 2HB SER 6 3.517 -7.479 3.619 35 HG SER 6 HG SER 6 3.591 -6.268 6.189 36 H ASP 7 H ASP 7 2.609 -6.227 1.390 37 HA ASP 7 HA ASP 7 5.217 -5.294 0.687 38 1HB ASP 7 1HB ASP 7 3.408 -7.048 -0.436 39 2HB ASP 7 2HB ASP 7 3.308 -5.670 -1.518 40 H CYS 8 H CYS 8 1.912 -4.197 0.155 41 HA CYS 8 HA CYS 8 2.333 -1.950 -1.406 42 1HB CYS 8 1HB CYS 8 0.102 -2.775 -0.814 43 2HB CYS 8 2HB CYS 8 0.362 -2.320 0.859 44 H ARG 9 H ARG 9 2.225 -2.200 2.120 45 HA ARG 9 HA ARG 9 2.800 0.418 2.768 46 1HB ARG 9 1HB ARG 9 2.108 -1.176 4.451 47 2HB ARG 9 2HB ARG 9 3.583 -2.112 4.218 48 1HG ARG 9 1HG ARG 9 4.714 0.182 4.787 49 2HG ARG 9 2HG ARG 9 3.174 0.474 5.593 50 1HD ARG 9 1HD ARG 9 3.671 -1.977 6.529 51 2HD ARG 9 2HD ARG 9 5.331 -1.453 6.246 52 HE ARG 9 HE ARG 9 3.745 0.457 7.703 53 1HH1 ARG 9 1HH1 ARG 9 5.773 -2.385 7.996 54 2HH1 ARG 9 2HH1 ARG 9 6.205 -2.058 9.640 55 1HH2 ARG 9 1HH2 ARG 9 4.316 0.882 9.869 56 2HH2 ARG 9 2HH2 ARG 9 5.376 -0.203 10.706 57 H VAL 10 H VAL 10 5.097 -2.275 2.237 58 HA VAL 10 HA VAL 10 7.448 -0.880 2.780 59 HB VAL 10 HB VAL 10 7.037 -3.057 0.717 60 1HG1 VAL 10 1HG1 VAL 10 9.466 -3.481 1.018 61 2HG1 VAL 10 2HG1 VAL 10 9.566 -2.004 1.979 62 3HG1 VAL 10 3HG1 VAL 10 9.109 -1.919 0.278 63 1HG2 VAL 10 1HG2 VAL 10 7.214 -4.616 2.344 64 2HG2 VAL 10 2HG2 VAL 10 6.589 -3.316 3.354 65 3HG2 VAL 10 3HG2 VAL 10 8.321 -3.644 3.311 66 H LYS 11 H LYS 11 5.597 -1.129 -0.232 67 HA LYS 11 HA LYS 11 7.376 0.399 -1.819 68 1HB LYS 11 1HB LYS 11 4.404 -0.045 -2.135 69 2HB LYS 11 2HB LYS 11 5.456 0.639 -3.364 70 1HG LYS 11 1HG LYS 11 6.333 -1.966 -2.353 71 2HG LYS 11 2HG LYS 11 4.769 -1.982 -3.168 72 1HD LYS 11 1HD LYS 11 6.145 -2.284 -4.968 73 2HD LYS 11 2HD LYS 11 6.069 -0.521 -4.941 74 1HE LYS 11 1HE LYS 11 8.194 -0.326 -3.988 75 2HE LYS 11 2HE LYS 11 8.207 -2.006 -3.453 76 1HZ LYS 11 1HZ LYS 11 9.503 -1.183 -5.594 77 2HZ LYS 11 2HZ LYS 11 8.022 -1.541 -6.327 78 3HZ LYS 11 3HZ LYS 11 8.857 -2.743 -5.475 79 H CYS 12 H CYS 12 4.823 1.224 0.399 80 HA CYS 12 HA CYS 12 4.672 3.974 -0.439 81 1HB CYS 12 1HB CYS 12 3.578 2.581 2.013 82 2HB CYS 12 2HB CYS 12 3.238 4.251 1.576 83 H VAL 13 H VAL 13 6.267 2.142 2.147 84 HA VAL 13 HA VAL 13 7.229 4.347 3.616 85 HB VAL 13 HB VAL 13 8.379 1.570 3.312 86 1HG1 VAL 13 1HG1 VAL 13 9.262 3.911 4.889 87 2HG1 VAL 13 2HG1 VAL 13 10.194 2.563 4.239 88 3HG1 VAL 13 3HG1 VAL 13 9.259 2.356 5.721 89 1HG2 VAL 13 1HG2 VAL 13 7.107 0.905 5.110 90 2HG2 VAL 13 2HG2 VAL 13 6.007 2.029 4.311 91 3HG2 VAL 13 3HG2 VAL 13 6.923 2.548 5.727 92 H ALA 14 H ALA 14 8.390 2.706 0.740 93 HA ALA 14 HA ALA 14 10.908 4.139 0.697 94 1HB ALA 14 1HB ALA 14 10.625 1.780 -0.112 95 2HB ALA 14 2HB ALA 14 11.424 2.878 -1.238 96 3HB ALA 14 3HB ALA 14 9.736 2.442 -1.484 97 H MET 15 H MET 15 7.705 4.496 -0.661 98 HA MET 15 HA MET 15 8.628 6.477 -2.599 99 1HB MET 15 1HB MET 15 5.962 5.172 -2.079 100 2HB MET 15 2HB MET 15 6.112 6.571 -3.134 101 1HG MET 15 1HG MET 15 7.794 5.277 -4.460 102 2HG MET 15 2HG MET 15 7.369 3.869 -3.489 103 1HE MET 15 1HE MET 15 6.340 2.299 -4.319 104 2HE MET 15 2HE MET 15 5.307 2.230 -5.747 105 3HE MET 15 3HE MET 15 4.594 2.488 -4.156 106 H GLY 16 H GLY 16 8.422 6.735 0.514 107 1HA GLY 16 1HA GLY 16 8.260 8.607 1.857 108 2HA GLY 16 2HA GLY 16 7.732 9.520 0.456 109 H PHE 17 H PHE 17 6.527 6.965 2.640 110 HA PHE 17 HA PHE 17 4.073 8.503 3.013 111 1HB PHE 17 1HB PHE 17 4.130 5.665 1.976 112 2HB PHE 17 2HB PHE 17 2.696 6.413 2.672 113 HD1 PHE 17 1HD PHE 17 4.837 6.155 -0.224 114 HD2 PHE 17 2HD PHE 17 1.616 8.298 1.529 115 HE1 PHE 17 1HE PHE 17 4.262 7.079 -2.431 116 HE2 PHE 17 2HE PHE 17 1.028 9.231 -0.673 117 HZ PHE 17 HZ PHE 17 2.354 8.620 -2.659 118 H SER 18 H SER 18 2.656 7.390 4.737 119 HA SER 18 HA SER 18 4.439 6.598 6.903 120 1HB SER 18 1HB SER 18 2.433 8.410 6.890 121 2HB SER 18 2HB SER 18 1.567 6.994 7.484 122 HG SER 18 HG SER 18 3.099 8.589 8.871 123 H SER 19 H SER 19 2.655 5.000 4.657 124 HA SER 19 HA SER 19 2.991 2.458 5.492 125 1HB SER 19 1HB SER 19 0.847 3.712 7.050 126 2HB SER 19 2HB SER 19 0.374 2.197 6.283 127 HG SER 19 HG SER 19 2.307 2.682 8.245 128 H GLY 20 H GLY 20 0.917 0.973 4.739 129 1HA GLY 20 1HA GLY 20 -0.513 2.068 2.497 130 2HA GLY 20 2HA GLY 20 0.826 1.052 2.006 131 H LYS 21 H LYS 21 -1.871 0.491 1.389 132 HA LYS 21 HA LYS 21 -2.117 -2.113 2.650 133 1HB LYS 21 1HB LYS 21 -4.501 -1.842 3.089 134 2HB LYS 21 2HB LYS 21 -3.565 -0.682 3.996 135 1HG LYS 21 1HG LYS 21 -4.084 0.996 2.187 136 2HG LYS 21 2HG LYS 21 -5.222 -0.190 1.547 137 1HD LYS 21 1HD LYS 21 -6.475 -0.161 3.616 138 2HD LYS 21 2HD LYS 21 -5.294 0.925 4.348 139 1HE LYS 21 1HE LYS 21 -5.908 2.394 2.217 140 2HE LYS 21 2HE LYS 21 -7.412 1.484 2.344 141 1HZ LYS 21 1HZ LYS 21 -6.365 2.692 4.792 142 2HZ LYS 21 2HZ LYS 21 -7.965 2.490 4.284 143 3HZ LYS 21 3HZ LYS 21 -7.025 3.736 3.635 144 H CYS 22 H CYS 22 -4.239 -3.103 1.634 145 HA CYS 22 HA CYS 22 -4.222 -2.550 -1.250 146 1HB CYS 22 1HB CYS 22 -3.733 -5.129 0.168 147 2HB CYS 22 2HB CYS 22 -4.538 -5.156 -1.400 148 H ILE 23 H ILE 23 -6.165 -2.313 -2.104 149 HA ILE 23 HA ILE 23 -8.502 -2.999 -0.492 150 HB ILE 23 HB ILE 23 -8.062 -0.652 -1.413 151 1HG1 ILE 23 1HG1 ILE 23 -10.648 -0.815 -2.390 152 2HG1 ILE 23 2HG1 ILE 23 -10.526 -2.194 -1.304 153 1HG2 ILE 23 1HG2 ILE 23 -7.922 -0.234 -3.582 154 2HG2 ILE 23 2HG2 ILE 23 -9.381 -1.158 -3.933 155 3HG2 ILE 23 3HG2 ILE 23 -7.822 -1.975 -3.831 156 1HD1 ILE 23 1HD1 ILE 23 -10.988 -0.785 0.341 157 2HD1 ILE 23 2HD1 ILE 23 -10.750 0.620 -0.701 158 3HD1 ILE 23 3HD1 ILE 23 -9.371 -0.118 0.110 159 H ASN 24 H ASN 24 -10.097 -2.893 -3.173 160 HA ASN 24 HA ASN 24 -10.626 -5.469 -3.585 161 1HB ASN 24 1HB ASN 24 -11.020 -3.064 -5.073 162 2HB ASN 24 2HB ASN 24 -10.582 -4.348 -6.191 163 1HD2 ASN 24 1HD2 ASN 24 -13.135 -2.823 -5.210 164 2HD2 ASN 24 2HD2 ASN 24 -14.305 -4.090 -5.122 165 H SER 25 H SER 25 -8.047 -3.672 -5.172 166 HA SER 25 HA SER 25 -6.234 -5.770 -5.249 167 1HB SER 25 1HB SER 25 -8.165 -5.814 -7.406 168 2HB SER 25 2HB SER 25 -6.533 -5.600 -8.038 169 HG SER 25 HG SER 25 -7.466 -7.671 -6.335 170 H LYS 26 H LYS 26 -6.328 -2.998 -4.638 171 HA LYS 26 HA LYS 26 -4.140 -2.079 -6.350 172 1HB LYS 26 1HB LYS 26 -6.730 -0.634 -5.886 173 2HB LYS 26 2HB LYS 26 -5.252 0.272 -6.178 174 1HG LYS 26 1HG LYS 26 -5.179 -1.539 -8.204 175 2HG LYS 26 2HG LYS 26 -6.915 -1.269 -8.029 176 1HD LYS 26 1HD LYS 26 -6.670 1.070 -8.376 177 2HD LYS 26 2HD LYS 26 -4.913 0.971 -8.247 178 1HE LYS 26 1HE LYS 26 -6.538 -0.357 -10.413 179 2HE LYS 26 2HE LYS 26 -5.766 1.216 -10.582 180 1HZ LYS 26 1HZ LYS 26 -3.621 0.110 -10.108 181 2HZ LYS 26 2HZ LYS 26 -4.354 -0.444 -11.528 182 3HZ LYS 26 3HZ LYS 26 -4.409 -1.387 -10.125 183 H CYS 27 H CYS 27 -2.486 -1.542 -5.120 184 HA CYS 27 HA CYS 27 -2.596 -1.309 -2.325 185 1HB CYS 27 1HB CYS 27 -0.585 -2.110 -3.150 186 2HB CYS 27 2HB CYS 27 -0.525 -0.933 -4.443 187 H LYS 28 H LYS 28 -2.774 0.340 -1.077 188 HA LYS 28 HA LYS 28 -2.809 3.064 -2.198 189 1HB LYS 28 1HB LYS 28 -5.065 2.420 -1.602 190 2HB LYS 28 2HB LYS 28 -4.535 1.885 -0.015 191 1HG LYS 28 1HG LYS 28 -4.587 3.953 0.839 192 2HG LYS 28 2HG LYS 28 -3.918 4.685 -0.620 193 1HD LYS 28 1HD LYS 28 -6.611 3.647 -1.011 194 2HD LYS 28 2HD LYS 28 -6.531 4.878 0.249 195 1HE LYS 28 1HE LYS 28 -5.587 6.468 -1.248 196 2HE LYS 28 2HE LYS 28 -5.315 5.237 -2.482 197 1HZ LYS 28 1HZ LYS 28 -7.454 5.310 -3.154 198 2HZ LYS 28 2HZ LYS 28 -7.394 6.871 -2.506 199 3HZ LYS 28 3HZ LYS 28 -8.069 5.610 -1.604 200 H CYS 29 H CYS 29 -1.908 4.702 -0.902 201 HA CYS 29 HA CYS 29 -0.107 3.664 1.167 202 1HB CYS 29 1HB CYS 29 0.090 6.080 -0.618 203 2HB CYS 29 2HB CYS 29 1.141 5.834 0.773 204 H TYR 30 H TYR 30 0.229 4.776 3.075 205 HA TYR 30 HA TYR 30 -2.122 6.221 4.035 206 1HB TYR 30 1HB TYR 30 0.226 4.988 5.497 207 2HB TYR 30 2HB TYR 30 -1.076 5.859 6.290 208 HD1 TYR 30 1HD TYR 30 -2.209 3.903 3.490 209 HD2 TYR 30 2HD TYR 30 -1.205 3.699 7.618 210 HE1 TYR 30 1HE TYR 30 -3.487 1.821 3.691 211 HE2 TYR 30 2HE TYR 30 -2.486 1.617 7.832 212 HH TYR 30 HH TYR 30 -3.198 -0.288 6.171 213 H LYS 31 H LYS 31 -1.101 7.956 2.493 214 HA LYS 31 HA LYS 31 1.135 9.441 3.315 215 1HB LYS 31 1HB LYS 31 0.013 11.321 1.972 216 2HB LYS 31 2HB LYS 31 0.443 9.848 1.119 217 1HG LYS 31 1HG LYS 31 -1.731 9.224 0.797 218 2HG LYS 31 2HG LYS 31 -2.306 10.080 2.230 219 1HD LYS 31 1HD LYS 31 -3.133 11.346 0.450 220 2HD LYS 31 2HD LYS 31 -1.688 12.223 0.955 221 1HE LYS 31 1HE LYS 31 -0.849 12.039 -1.092 222 2HE LYS 31 2HE LYS 31 -0.907 10.283 -0.966 223 1HZ LYS 31 1HZ LYS 31 -2.965 12.104 -2.068 224 2HZ LYS 31 2HZ LYS 31 -3.320 10.504 -1.646 225 3HZ LYS 31 3HZ LYS 31 -2.171 10.828 -2.844 Start of MODEL 20 1 1H ALA 1 1H ALA 1 0.372 -11.273 -8.551 2 2H ALA 1 2H ALA 1 0.510 -9.574 -8.346 3 3H ALA 1 3H ALA 1 0.495 -10.252 -9.923 4 HA ALA 1 HA ALA 1 -1.586 -9.373 -9.626 5 1HB ALA 1 1HB ALA 1 -1.607 -12.336 -9.079 6 2HB ALA 1 2HB ALA 1 -1.694 -11.526 -10.644 7 3HB ALA 1 3HB ALA 1 -3.041 -11.403 -9.511 8 H ALA 2 H ALA 2 -0.857 -11.474 -6.828 9 HA ALA 2 HA ALA 2 -3.057 -10.524 -5.283 10 1HB ALA 2 1HB ALA 2 -2.170 -11.825 -3.490 11 2HB ALA 2 2HB ALA 2 -0.583 -11.902 -4.258 12 3HB ALA 2 3HB ALA 2 -1.953 -12.745 -4.980 13 H CYS 3 H CYS 3 -3.225 -8.587 -4.380 14 HA CYS 3 HA CYS 3 -0.879 -6.934 -3.967 15 1HB CYS 3 1HB CYS 3 -3.219 -6.185 -4.848 16 2HB CYS 3 2HB CYS 3 -3.660 -6.153 -3.146 17 H TYR 4 H TYR 4 0.288 -7.238 -2.175 18 HA TYR 4 HA TYR 4 -1.052 -8.065 0.297 19 1HB TYR 4 1HB TYR 4 1.681 -8.327 -0.780 20 2HB TYR 4 2HB TYR 4 1.599 -7.961 0.934 21 HD1 TYR 4 1HD TYR 4 0.422 -10.376 -1.633 22 HD2 TYR 4 2HD TYR 4 1.099 -9.624 2.500 23 HE1 TYR 4 1HE TYR 4 -0.010 -12.745 -1.137 24 HE2 TYR 4 2HE TYR 4 0.671 -11.988 3.009 25 HH TYR 4 HH TYR 4 -0.867 -14.035 1.100 26 H SER 5 H SER 5 -1.677 -6.516 1.649 27 HA SER 5 HA SER 5 -0.954 -3.819 1.392 28 1HB SER 5 1HB SER 5 -2.051 -5.226 3.844 29 2HB SER 5 2HB SER 5 -2.063 -3.485 3.564 30 HG SER 5 HG SER 5 -3.566 -5.506 2.315 31 H SER 6 H SER 6 0.650 -6.429 3.030 32 HA SER 6 HA SER 6 2.216 -4.721 4.750 33 1HB SER 6 1HB SER 6 1.632 -7.193 5.176 34 2HB SER 6 2HB SER 6 2.897 -7.570 4.009 35 HG SER 6 HG SER 6 4.376 -6.486 5.347 36 H ASP 7 H ASP 7 2.632 -6.407 1.686 37 HA ASP 7 HA ASP 7 5.362 -5.592 1.321 38 1HB ASP 7 1HB ASP 7 3.747 -7.515 0.194 39 2HB ASP 7 2HB ASP 7 3.809 -6.309 -1.082 40 H CYS 8 H CYS 8 2.214 -4.602 0.085 41 HA CYS 8 HA CYS 8 3.146 -2.573 -1.615 42 1HB CYS 8 1HB CYS 8 0.819 -3.823 -1.255 43 2HB CYS 8 2HB CYS 8 0.488 -2.379 -0.326 44 H ARG 9 H ARG 9 2.334 -2.719 1.800 45 HA ARG 9 HA ARG 9 2.238 0.025 2.367 46 1HB ARG 9 1HB ARG 9 1.524 -1.349 4.121 47 2HB ARG 9 2HB ARG 9 2.919 -2.411 3.986 48 1HG ARG 9 1HG ARG 9 4.158 -1.164 5.356 49 2HG ARG 9 2HG ARG 9 3.576 0.352 4.666 50 1HD ARG 9 1HD ARG 9 2.669 0.483 6.767 51 2HD ARG 9 2HD ARG 9 1.355 -0.319 5.904 52 HE ARG 9 HE ARG 9 2.934 -2.341 6.895 53 1HH1 ARG 9 1HH1 ARG 9 1.122 0.333 8.243 54 2HH1 ARG 9 2HH1 ARG 9 0.800 -0.478 9.740 55 1HH2 ARG 9 1HH2 ARG 9 2.508 -3.409 8.866 56 2HH2 ARG 9 2HH2 ARG 9 1.589 -2.605 10.094 57 H VAL 10 H VAL 10 4.937 -2.311 2.291 58 HA VAL 10 HA VAL 10 6.960 -0.531 3.105 59 HB VAL 10 HB VAL 10 7.221 -2.870 1.201 60 1HG1 VAL 10 1HG1 VAL 10 9.116 -0.975 1.802 61 2HG1 VAL 10 2HG1 VAL 10 9.444 -2.608 1.229 62 3HG1 VAL 10 3HG1 VAL 10 9.471 -2.259 2.957 63 1HG2 VAL 10 1HG2 VAL 10 7.309 -4.312 2.953 64 2HG2 VAL 10 2HG2 VAL 10 6.243 -3.101 3.667 65 3HG2 VAL 10 3HG2 VAL 10 7.962 -3.105 4.061 66 H LYS 11 H LYS 11 5.442 -1.131 -0.007 67 HA LYS 11 HA LYS 11 7.252 0.352 -1.590 68 1HB LYS 11 1HB LYS 11 4.315 -0.127 -2.107 69 2HB LYS 11 2HB LYS 11 5.518 0.340 -3.298 70 1HG LYS 11 1HG LYS 11 6.697 -1.861 -2.645 71 2HG LYS 11 2HG LYS 11 5.139 -2.295 -1.937 72 1HD LYS 11 1HD LYS 11 4.050 -1.917 -4.096 73 2HD LYS 11 2HD LYS 11 5.606 -1.475 -4.804 74 1HE LYS 11 1HE LYS 11 5.061 -4.147 -3.521 75 2HE LYS 11 2HE LYS 11 4.834 -3.835 -5.241 76 1HZ LYS 11 1HZ LYS 11 7.312 -4.048 -3.700 77 2HZ LYS 11 2HZ LYS 11 7.294 -2.969 -5.004 78 3HZ LYS 11 3HZ LYS 11 6.957 -4.606 -5.258 79 H CYS 12 H CYS 12 4.480 1.242 0.360 80 HA CYS 12 HA CYS 12 4.370 3.934 -0.669 81 1HB CYS 12 1HB CYS 12 3.093 2.657 1.754 82 2HB CYS 12 2HB CYS 12 2.873 4.349 1.325 83 H VAL 13 H VAL 13 5.631 2.346 2.252 84 HA VAL 13 HA VAL 13 6.554 4.639 3.567 85 HB VAL 13 HB VAL 13 7.626 1.819 3.630 86 1HG1 VAL 13 1HG1 VAL 13 8.202 4.137 5.476 87 2HG1 VAL 13 2HG1 VAL 13 9.350 3.316 4.418 88 3HG1 VAL 13 3HG1 VAL 13 8.650 2.460 5.791 89 1HG2 VAL 13 1HG2 VAL 13 5.196 2.534 4.398 90 2HG2 VAL 13 2HG2 VAL 13 6.065 3.025 5.852 91 3HG2 VAL 13 3HG2 VAL 13 6.145 1.352 5.299 92 H ALA 14 H ALA 14 7.946 2.721 0.980 93 HA ALA 14 HA ALA 14 10.484 4.121 1.063 94 1HB ALA 14 1HB ALA 14 9.777 2.420 -1.246 95 2HB ALA 14 2HB ALA 14 9.901 1.632 0.327 96 3HB ALA 14 3HB ALA 14 11.277 2.521 -0.327 97 H MET 15 H MET 15 7.430 4.467 -0.540 98 HA MET 15 HA MET 15 8.571 6.148 -2.638 99 1HB MET 15 1HB MET 15 5.801 5.077 -2.134 100 2HB MET 15 2HB MET 15 6.112 6.317 -3.341 101 1HG MET 15 1HG MET 15 7.608 3.725 -3.346 102 2HG MET 15 2HG MET 15 6.023 3.880 -4.100 103 1HE MET 15 1HE MET 15 6.719 3.282 -6.499 104 2HE MET 15 2HE MET 15 8.317 2.867 -5.878 105 3HE MET 15 3HE MET 15 8.163 3.898 -7.300 106 H GLY 16 H GLY 16 8.260 6.782 0.392 107 1HA GLY 16 1HA GLY 16 8.285 8.913 1.360 108 2HA GLY 16 2HA GLY 16 7.488 9.553 -0.067 109 H PHE 17 H PHE 17 6.599 6.980 2.246 110 HA PHE 17 HA PHE 17 4.314 8.568 3.130 111 1HB PHE 17 1HB PHE 17 4.026 5.804 1.924 112 2HB PHE 17 2HB PHE 17 2.748 6.668 2.771 113 HD1 PHE 17 1HD PHE 17 1.674 8.581 1.769 114 HD2 PHE 17 2HD PHE 17 4.674 6.411 -0.308 115 HE1 PHE 17 1HE PHE 17 0.974 9.647 -0.335 116 HE2 PHE 17 2HE PHE 17 3.989 7.470 -2.421 117 HZ PHE 17 HZ PHE 17 2.135 9.093 -2.436 118 H SER 18 H SER 18 3.044 7.138 4.851 119 HA SER 18 HA SER 18 5.092 5.980 6.617 120 1HB SER 18 1HB SER 18 3.727 8.118 7.256 121 2HB SER 18 2HB SER 18 2.452 6.962 7.639 122 HG SER 18 HG SER 18 4.360 7.661 9.212 123 H SER 19 H SER 19 2.745 4.956 4.608 124 HA SER 19 HA SER 19 2.690 2.331 5.510 125 1HB SER 19 1HB SER 19 0.761 4.035 6.874 126 2HB SER 19 2HB SER 19 -0.039 2.721 6.000 127 HG SER 19 HG SER 19 1.985 2.532 7.984 128 H GLY 20 H GLY 20 0.748 1.086 4.504 129 1HA GLY 20 1HA GLY 20 -0.579 2.273 2.282 130 2HA GLY 20 2HA GLY 20 0.810 1.334 1.764 131 H LYS 21 H LYS 21 -2.092 0.877 1.317 132 HA LYS 21 HA LYS 21 -2.229 -1.805 2.510 133 1HB LYS 21 1HB LYS 21 -4.504 0.125 2.076 134 2HB LYS 21 2HB LYS 21 -4.703 -1.560 2.540 135 1HG LYS 21 1HG LYS 21 -3.020 0.285 4.153 136 2HG LYS 21 2HG LYS 21 -4.773 0.252 4.337 137 1HD LYS 21 1HD LYS 21 -3.086 -2.228 4.524 138 2HD LYS 21 2HD LYS 21 -3.415 -1.206 5.923 139 1HE LYS 21 1HE LYS 21 -5.444 -2.087 6.175 140 2HE LYS 21 2HE LYS 21 -5.848 -1.765 4.491 141 1HZ LYS 21 1HZ LYS 21 -4.410 -3.857 4.059 142 2HZ LYS 21 2HZ LYS 21 -5.997 -4.042 4.609 143 3HZ LYS 21 3HZ LYS 21 -4.708 -4.199 5.691 144 H CYS 22 H CYS 22 -4.047 -3.028 1.414 145 HA CYS 22 HA CYS 22 -4.044 -2.686 -1.492 146 1HB CYS 22 1HB CYS 22 -3.039 -5.005 0.091 147 2HB CYS 22 2HB CYS 22 -3.810 -5.312 -1.463 148 H ILE 23 H ILE 23 -6.021 -2.957 -2.326 149 HA ILE 23 HA ILE 23 -8.077 -4.231 -0.674 150 HB ILE 23 HB ILE 23 -8.151 -1.727 -1.240 151 1HG1 ILE 23 1HG1 ILE 23 -10.742 -2.298 -2.060 152 2HG1 ILE 23 2HG1 ILE 23 -10.241 -3.725 -1.158 153 1HG2 ILE 23 1HG2 ILE 23 -7.592 -2.115 -3.661 154 2HG2 ILE 23 2HG2 ILE 23 -8.919 -1.005 -3.329 155 3HG2 ILE 23 3HG2 ILE 23 -9.260 -2.647 -3.871 156 1HD1 ILE 23 1HD1 ILE 23 -10.925 -1.080 -0.212 157 2HD1 ILE 23 2HD1 ILE 23 -9.369 -1.638 0.405 158 3HD1 ILE 23 3HD1 ILE 23 -10.819 -2.608 0.665 159 H ASN 24 H ASN 24 -9.941 -4.227 -3.022 160 HA ASN 24 HA ASN 24 -9.847 -6.722 -3.928 161 1HB ASN 24 1HB ASN 24 -11.075 -4.291 -4.785 162 2HB ASN 24 2HB ASN 24 -10.545 -5.185 -6.203 163 1HD2 ASN 24 1HD2 ASN 24 -12.483 -5.365 -3.281 164 2HD2 ASN 24 2HD2 ASN 24 -13.539 -6.615 -3.833 165 H SER 25 H SER 25 -8.137 -4.006 -5.386 166 HA SER 25 HA SER 25 -5.935 -5.500 -6.232 167 1HB SER 25 1HB SER 25 -7.855 -6.150 -7.908 168 2HB SER 25 2HB SER 25 -7.501 -4.578 -8.619 169 HG SER 25 HG SER 25 -5.406 -5.248 -9.006 170 H LYS 26 H LYS 26 -6.477 -3.131 -4.830 171 HA LYS 26 HA LYS 26 -4.944 -1.219 -6.420 172 1HB LYS 26 1HB LYS 26 -7.626 -0.743 -5.169 173 2HB LYS 26 2HB LYS 26 -6.468 0.577 -5.270 174 1HG LYS 26 1HG LYS 26 -6.682 -0.771 -7.800 175 2HG LYS 26 2HG LYS 26 -8.271 -0.257 -7.227 176 1HD LYS 26 1HD LYS 26 -7.007 1.986 -6.709 177 2HD LYS 26 2HD LYS 26 -5.874 1.383 -7.920 178 1HE LYS 26 1HE LYS 26 -8.793 1.354 -8.531 179 2HE LYS 26 2HE LYS 26 -7.927 2.887 -8.599 180 1HZ LYS 26 1HZ LYS 26 -8.110 1.249 -10.663 181 2HZ LYS 26 2HZ LYS 26 -6.692 0.633 -9.976 182 3HZ LYS 26 3HZ LYS 26 -6.779 2.263 -10.422 183 H CYS 27 H CYS 27 -3.683 0.193 -5.188 184 HA CYS 27 HA CYS 27 -3.341 -0.586 -2.382 185 1HB CYS 27 1HB CYS 27 -1.533 -1.085 -4.118 186 2HB CYS 27 2HB CYS 27 -1.232 0.641 -4.128 187 H LYS 28 H LYS 28 -3.384 0.902 -0.867 188 HA LYS 28 HA LYS 28 -3.588 3.724 -1.699 189 1HB LYS 28 1HB LYS 28 -5.631 2.943 -0.637 190 2HB LYS 28 2HB LYS 28 -4.723 2.340 0.738 191 1HG LYS 28 1HG LYS 28 -5.256 4.275 1.702 192 2HG LYS 28 2HG LYS 28 -3.997 4.972 0.684 193 1HD LYS 28 1HD LYS 28 -5.650 5.529 -1.015 194 2HD LYS 28 2HD LYS 28 -6.919 4.776 -0.046 195 1HE LYS 28 1HE LYS 28 -5.298 6.880 1.266 196 2HE LYS 28 2HE LYS 28 -6.407 7.404 -0.002 197 1HZ LYS 28 1HZ LYS 28 -8.239 6.679 1.188 198 2HZ LYS 28 2HZ LYS 28 -7.246 7.303 2.408 199 3HZ LYS 28 3HZ LYS 28 -7.337 5.630 2.167 200 H CYS 29 H CYS 29 -2.348 5.233 -0.608 201 HA CYS 29 HA CYS 29 -0.237 4.083 1.091 202 1HB CYS 29 1HB CYS 29 -0.145 6.388 -0.842 203 2HB CYS 29 2HB CYS 29 1.053 6.204 0.435 204 H TYR 30 H TYR 30 0.325 5.060 2.964 205 HA TYR 30 HA TYR 30 -1.521 7.128 3.937 206 1HB TYR 30 1HB TYR 30 -0.251 4.818 5.393 207 2HB TYR 30 2HB TYR 30 -1.103 6.136 6.201 208 HD1 TYR 30 1HD TYR 30 -1.457 2.941 4.774 209 HD2 TYR 30 2HD TYR 30 -3.477 6.647 5.265 210 HE1 TYR 30 1HE TYR 30 -3.583 1.821 4.387 211 HE2 TYR 30 2HE TYR 30 -5.637 5.524 4.879 212 HH TYR 30 HH TYR 30 -5.899 2.450 3.579 213 H LYS 31 H LYS 31 -0.048 8.643 3.108 214 HA LYS 31 HA LYS 31 2.569 9.113 3.568 215 1HB LYS 31 1HB LYS 31 0.324 10.715 2.923 216 2HB LYS 31 2HB LYS 31 1.217 11.563 4.177 217 1HG LYS 31 1HG LYS 31 2.692 10.446 1.850 218 2HG LYS 31 2HG LYS 31 1.772 11.939 1.660 219 1HD LYS 31 1HD LYS 31 3.092 12.459 3.960 220 2HD LYS 31 2HD LYS 31 4.262 11.415 3.152 221 1HE LYS 31 1HE LYS 31 4.941 13.319 2.174 222 2HE LYS 31 2HE LYS 31 3.553 13.059 1.117 223 1HZ LYS 31 1HZ LYS 31 3.204 14.558 3.629 224 2HZ LYS 31 2HZ LYS 31 2.327 14.664 2.185 225 3HZ LYS 31 3HZ LYS 31 3.878 15.332 2.282 Start of MODEL 21 1 1H ALA 1 1H ALA 1 -0.123 -9.452 -8.863 2 2H ALA 1 2H ALA 1 -0.242 -10.030 -10.474 3 3H ALA 1 3H ALA 1 -0.267 -11.134 -9.161 4 HA ALA 1 HA ALA 1 -2.307 -9.213 -10.018 5 1HB ALA 1 1HB ALA 1 -2.048 -12.164 -9.847 6 2HB ALA 1 2HB ALA 1 -2.830 -11.160 -11.068 7 3HB ALA 1 3HB ALA 1 -3.633 -11.460 -9.527 8 H ALA 2 H ALA 2 -1.302 -11.298 -7.302 9 HA ALA 2 HA ALA 2 -3.419 -10.427 -5.591 10 1HB ALA 2 1HB ALA 2 -2.141 -11.611 -3.816 11 2HB ALA 2 2HB ALA 2 -0.864 -11.914 -4.996 12 3HB ALA 2 3HB ALA 2 -2.471 -12.601 -5.238 13 H CYS 3 H CYS 3 -3.424 -8.917 -3.984 14 HA CYS 3 HA CYS 3 -1.113 -7.090 -3.901 15 1HB CYS 3 1HB CYS 3 -3.438 -6.299 -4.740 16 2HB CYS 3 2HB CYS 3 -3.903 -6.346 -3.044 17 H TYR 4 H TYR 4 0.006 -7.001 -2.061 18 HA TYR 4 HA TYR 4 -1.248 -8.033 0.399 19 1HB TYR 4 1HB TYR 4 1.434 -8.320 -0.762 20 2HB TYR 4 2HB TYR 4 1.438 -7.926 0.948 21 HD1 TYR 4 1HD TYR 4 1.710 -9.765 2.293 22 HD2 TYR 4 2HD TYR 4 -0.605 -10.166 -1.256 23 HE1 TYR 4 1HE TYR 4 1.277 -12.118 2.849 24 HE2 TYR 4 2HE TYR 4 -1.046 -12.521 -0.708 25 HH TYR 4 HH TYR 4 -1.046 -13.869 1.763 26 H SER 5 H SER 5 -1.396 -6.772 2.170 27 HA SER 5 HA SER 5 -1.026 -3.972 1.928 28 1HB SER 5 1HB SER 5 -1.957 -5.823 4.053 29 2HB SER 5 2HB SER 5 -1.367 -4.248 4.582 30 HG SER 5 HG SER 5 -3.354 -3.696 4.106 31 H SER 6 H SER 6 0.982 -6.539 3.195 32 HA SER 6 HA SER 6 2.745 -4.827 4.666 33 1HB SER 6 1HB SER 6 2.618 -7.703 3.998 34 2HB SER 6 2HB SER 6 4.251 -7.057 4.155 35 HG SER 6 HG SER 6 2.188 -6.782 6.090 36 H ASP 7 H ASP 7 2.732 -6.244 1.428 37 HA ASP 7 HA ASP 7 5.308 -5.253 0.691 38 1HB ASP 7 1HB ASP 7 3.538 -7.045 -0.415 39 2HB ASP 7 2HB ASP 7 3.354 -5.660 -1.476 40 H CYS 8 H CYS 8 1.978 -4.223 0.187 41 HA CYS 8 HA CYS 8 2.335 -1.954 -1.362 42 1HB CYS 8 1HB CYS 8 0.131 -2.840 -0.756 43 2HB CYS 8 2HB CYS 8 0.392 -2.384 0.917 44 H ARG 9 H ARG 9 2.262 -2.221 2.166 45 HA ARG 9 HA ARG 9 2.798 0.416 2.801 46 1HB ARG 9 1HB ARG 9 2.114 -1.166 4.494 47 2HB ARG 9 2HB ARG 9 3.589 -2.103 4.269 48 1HG ARG 9 1HG ARG 9 4.724 0.189 4.834 49 2HG ARG 9 2HG ARG 9 3.181 0.497 5.624 50 1HD ARG 9 1HD ARG 9 3.525 -1.082 7.229 51 2HD ARG 9 2HD ARG 9 4.479 -2.110 6.163 52 HE ARG 9 HE ARG 9 6.375 -1.034 6.866 53 1HH1 ARG 9 1HH1 ARG 9 3.592 0.872 7.829 54 2HH1 ARG 9 2HH1 ARG 9 4.517 1.938 8.832 55 1HH2 ARG 9 1HH2 ARG 9 7.587 0.383 8.184 56 2HH2 ARG 9 2HH2 ARG 9 6.784 1.661 9.034 57 H VAL 10 H VAL 10 5.125 -2.266 2.298 58 HA VAL 10 HA VAL 10 7.456 -0.840 2.850 59 HB VAL 10 HB VAL 10 7.087 -3.037 0.798 60 1HG1 VAL 10 1HG1 VAL 10 9.625 -2.091 2.131 61 2HG1 VAL 10 2HG1 VAL 10 9.161 -1.751 0.463 62 3HG1 VAL 10 3HG1 VAL 10 9.476 -3.411 0.969 63 1HG2 VAL 10 1HG2 VAL 10 7.215 -4.572 2.436 64 2HG2 VAL 10 2HG2 VAL 10 6.653 -3.254 3.462 65 3HG2 VAL 10 3HG2 VAL 10 8.373 -3.633 3.376 66 H LYS 11 H LYS 11 5.633 -1.135 -0.175 67 HA LYS 11 HA LYS 11 7.405 0.402 -1.759 68 1HB LYS 11 1HB LYS 11 4.441 -0.079 -2.088 69 2HB LYS 11 2HB LYS 11 5.490 0.616 -3.316 70 1HG LYS 11 1HG LYS 11 6.839 -1.578 -3.062 71 2HG LYS 11 2HG LYS 11 5.368 -2.194 -2.308 72 1HD LYS 11 1HD LYS 11 4.270 -2.299 -4.263 73 2HD LYS 11 2HD LYS 11 4.905 -0.746 -4.809 74 1HE LYS 11 1HE LYS 11 6.575 -3.246 -4.754 75 2HE LYS 11 2HE LYS 11 5.579 -2.808 -6.141 76 1HZ LYS 11 1HZ LYS 11 7.944 -2.080 -6.276 77 2HZ LYS 11 2HZ LYS 11 7.650 -1.019 -4.992 78 3HZ LYS 11 3HZ LYS 11 6.821 -0.827 -6.454 79 H CYS 12 H CYS 12 4.831 1.216 0.440 80 HA CYS 12 HA CYS 12 4.663 3.965 -0.419 81 1HB CYS 12 1HB CYS 12 3.525 2.553 2.000 82 2HB CYS 12 2HB CYS 12 3.210 4.234 1.597 83 H VAL 13 H VAL 13 6.207 2.164 2.230 84 HA VAL 13 HA VAL 13 7.113 4.391 3.701 85 HB VAL 13 HB VAL 13 8.293 1.622 3.455 86 1HG1 VAL 13 1HG1 VAL 13 9.131 3.989 5.017 87 2HG1 VAL 13 2HG1 VAL 13 10.084 2.638 4.406 88 3HG1 VAL 13 3HG1 VAL 13 9.123 2.446 5.871 89 1HG2 VAL 13 1HG2 VAL 13 5.905 2.035 4.387 90 2HG2 VAL 13 2HG2 VAL 13 6.754 2.648 5.806 91 3HG2 VAL 13 3HG2 VAL 13 7.012 0.988 5.274 92 H ALA 14 H ALA 14 8.396 2.732 0.886 93 HA ALA 14 HA ALA 14 10.875 4.244 0.916 94 1HB ALA 14 1HB ALA 14 11.664 2.760 -0.597 95 2HB ALA 14 2HB ALA 14 10.125 2.643 -1.449 96 3HB ALA 14 3HB ALA 14 10.363 1.771 0.066 97 H MET 15 H MET 15 7.721 4.482 -0.541 98 HA MET 15 HA MET 15 8.668 6.365 -2.566 99 1HB MET 15 1HB MET 15 5.982 5.106 -2.029 100 2HB MET 15 2HB MET 15 6.185 6.415 -3.185 101 1HG MET 15 1HG MET 15 7.855 3.945 -3.378 102 2HG MET 15 2HG MET 15 6.213 3.976 -4.016 103 1HE MET 15 1HE MET 15 9.251 3.633 -5.709 104 2HE MET 15 2HE MET 15 8.493 4.212 -7.192 105 3HE MET 15 3HE MET 15 7.607 3.137 -6.111 106 H GLY 16 H GLY 16 8.386 6.776 0.528 107 1HA GLY 16 1HA GLY 16 8.214 8.737 1.749 108 2HA GLY 16 2HA GLY 16 7.649 9.552 0.301 109 H PHE 17 H PHE 17 6.495 7.002 2.519 110 HA PHE 17 HA PHE 17 4.034 8.515 2.937 111 1HB PHE 17 1HB PHE 17 4.081 5.672 1.911 112 2HB PHE 17 2HB PHE 17 2.650 6.464 2.559 113 HD1 PHE 17 1HD PHE 17 4.923 6.203 -0.265 114 HD2 PHE 17 2HD PHE 17 1.557 8.239 1.336 115 HE1 PHE 17 1HE PHE 17 4.409 7.095 -2.503 116 HE2 PHE 17 2HE PHE 17 1.031 9.138 -0.895 117 HZ PHE 17 HZ PHE 17 2.460 8.565 -2.819 118 H SER 18 H SER 18 2.673 7.466 4.697 119 HA SER 18 HA SER 18 4.490 6.610 6.807 120 1HB SER 18 1HB SER 18 1.567 7.280 7.132 121 2HB SER 18 2HB SER 18 2.816 7.250 8.374 122 HG SER 18 HG SER 18 2.937 9.305 7.937 123 H SER 19 H SER 19 2.653 5.035 4.592 124 HA SER 19 HA SER 19 2.999 2.486 5.410 125 1HB SER 19 1HB SER 19 1.003 3.721 7.100 126 2HB SER 19 2HB SER 19 0.322 2.361 6.211 127 HG SER 19 HG SER 19 1.220 1.277 7.791 128 H GLY 20 H GLY 20 0.880 1.026 4.700 129 1HA GLY 20 1HA GLY 20 -0.566 2.131 2.479 130 2HA GLY 20 2HA GLY 20 0.766 1.114 1.962 131 H LYS 21 H LYS 21 -1.935 0.565 1.373 132 HA LYS 21 HA LYS 21 -2.188 -2.028 2.665 133 1HB LYS 21 1HB LYS 21 -4.615 -1.738 2.960 134 2HB LYS 21 2HB LYS 21 -3.688 -0.641 3.949 135 1HG LYS 21 1HG LYS 21 -4.065 1.099 2.147 136 2HG LYS 21 2HG LYS 21 -5.236 -0.026 1.458 137 1HD LYS 21 1HD LYS 21 -6.624 0.093 3.365 138 2HD LYS 21 2HD LYS 21 -5.369 0.880 4.324 139 1HE LYS 21 1HE LYS 21 -6.618 2.711 3.812 140 2HE LYS 21 2HE LYS 21 -5.565 2.695 2.398 141 1HZ LYS 21 1HZ LYS 21 -7.297 1.486 1.192 142 2HZ LYS 21 2HZ LYS 21 -7.856 2.984 1.741 143 3HZ LYS 21 3HZ LYS 21 -8.310 1.568 2.545 144 H CYS 22 H CYS 22 -4.122 -3.159 1.624 145 HA CYS 22 HA CYS 22 -4.148 -2.644 -1.269 146 1HB CYS 22 1HB CYS 22 -3.536 -5.182 0.190 147 2HB CYS 22 2HB CYS 22 -4.271 -5.248 -1.411 148 H ILE 23 H ILE 23 -6.106 -2.527 -2.110 149 HA ILE 23 HA ILE 23 -8.372 -3.470 -0.519 150 HB ILE 23 HB ILE 23 -8.114 -1.019 -1.180 151 1HG1 ILE 23 1HG1 ILE 23 -10.687 -1.195 -2.104 152 2HG1 ILE 23 2HG1 ILE 23 -10.474 -2.745 -1.300 153 1HG2 ILE 23 1HG2 ILE 23 -7.799 -2.035 -3.726 154 2HG2 ILE 23 2HG2 ILE 23 -8.061 -0.347 -3.288 155 3HG2 ILE 23 3HG2 ILE 23 -9.431 -1.363 -3.735 156 1HD1 ILE 23 1HD1 ILE 23 -9.408 -0.923 0.480 157 2HD1 ILE 23 2HD1 ILE 23 -10.989 -1.698 0.582 158 3HD1 ILE 23 3HD1 ILE 23 -10.832 -0.112 -0.172 159 H ASN 24 H ASN 24 -9.995 -3.167 -3.183 160 HA ASN 24 HA ASN 24 -10.420 -5.704 -3.828 161 1HB ASN 24 1HB ASN 24 -10.909 -3.194 -5.103 162 2HB ASN 24 2HB ASN 24 -10.461 -4.377 -6.327 163 1HD2 ASN 24 1HD2 ASN 24 -12.846 -3.365 -4.070 164 2HD2 ASN 24 2HD2 ASN 24 -14.047 -4.536 -4.483 165 H SER 25 H SER 25 -7.907 -3.703 -5.289 166 HA SER 25 HA SER 25 -6.062 -5.762 -5.552 167 1HB SER 25 1HB SER 25 -7.986 -6.121 -7.442 168 2HB SER 25 2HB SER 25 -6.835 -5.123 -8.327 169 HG SER 25 HG SER 25 -5.230 -6.655 -7.857 170 H LYS 26 H LYS 26 -6.233 -2.968 -4.802 171 HA LYS 26 HA LYS 26 -3.997 -2.010 -6.411 172 1HB LYS 26 1HB LYS 26 -4.914 0.108 -6.886 173 2HB LYS 26 2HB LYS 26 -6.171 -1.050 -7.294 174 1HG LYS 26 1HG LYS 26 -6.870 -0.507 -4.765 175 2HG LYS 26 2HG LYS 26 -6.103 1.020 -5.198 176 1HD LYS 26 1HD LYS 26 -8.054 -0.186 -7.100 177 2HD LYS 26 2HD LYS 26 -8.670 0.595 -5.641 178 1HE LYS 26 1HE LYS 26 -6.851 2.424 -6.530 179 2HE LYS 26 2HE LYS 26 -7.458 1.763 -8.046 180 1HZ LYS 26 1HZ LYS 26 -8.640 3.757 -6.806 181 2HZ LYS 26 2HZ LYS 26 -9.436 2.490 -6.021 182 3HZ LYS 26 3HZ LYS 26 -9.513 2.623 -7.705 183 H CYS 27 H CYS 27 -2.401 -1.424 -5.153 184 HA CYS 27 HA CYS 27 -2.608 -1.243 -2.347 185 1HB CYS 27 1HB CYS 27 -0.589 -2.085 -3.126 186 2HB CYS 27 2HB CYS 27 -0.460 -0.887 -4.394 187 H LYS 28 H LYS 28 -2.818 0.407 -1.106 188 HA LYS 28 HA LYS 28 -2.771 3.131 -2.235 189 1HB LYS 28 1HB LYS 28 -5.045 2.516 -1.657 190 2HB LYS 28 2HB LYS 28 -4.540 1.997 -0.056 191 1HG LYS 28 1HG LYS 28 -4.337 4.139 0.725 192 2HG LYS 28 2HG LYS 28 -4.021 4.810 -0.875 193 1HD LYS 28 1HD LYS 28 -6.451 4.147 -1.403 194 2HD LYS 28 2HD LYS 28 -6.641 4.010 0.346 195 1HE LYS 28 1HE LYS 28 -5.404 6.429 0.111 196 2HE LYS 28 2HE LYS 28 -6.388 6.392 -1.350 197 1HZ LYS 28 1HZ LYS 28 -8.327 6.359 -0.153 198 2HZ LYS 28 2HZ LYS 28 -7.363 7.309 0.860 199 3HZ LYS 28 3HZ LYS 28 -7.619 5.678 1.224 200 H CYS 29 H CYS 29 -1.907 4.783 -0.888 201 HA CYS 29 HA CYS 29 -0.120 3.709 1.177 202 1HB CYS 29 1HB CYS 29 0.103 6.152 -0.571 203 2HB CYS 29 2HB CYS 29 1.151 5.866 0.814 204 H TYR 30 H TYR 30 0.217 4.813 3.096 205 HA TYR 30 HA TYR 30 -2.140 6.235 4.068 206 1HB TYR 30 1HB TYR 30 0.210 4.994 5.511 207 2HB TYR 30 2HB TYR 30 -1.090 5.856 6.317 208 HD1 TYR 30 1HD TYR 30 -2.270 3.974 3.508 209 HD2 TYR 30 2HD TYR 30 -1.170 3.652 7.601 210 HE1 TYR 30 1HE TYR 30 -3.544 1.890 3.678 211 HE2 TYR 30 2HE TYR 30 -2.447 1.563 7.786 212 HH TYR 30 HH TYR 30 -4.445 0.509 6.541 213 H LYS 31 H LYS 31 -1.102 8.002 2.544 214 HA LYS 31 HA LYS 31 1.115 9.488 3.228 215 1HB LYS 31 1HB LYS 31 -1.172 9.816 1.554 216 2HB LYS 31 2HB LYS 31 -0.937 11.310 2.449 217 1HG LYS 31 1HG LYS 31 1.508 10.178 1.309 218 2HG LYS 31 2HG LYS 31 0.301 10.674 0.124 219 1HD LYS 31 1HD LYS 31 1.333 12.418 2.362 220 2HD LYS 31 2HD LYS 31 1.923 12.469 0.700 221 1HE LYS 31 1HE LYS 31 0.146 13.636 -0.021 222 2HE LYS 31 2HE LYS 31 -0.988 12.676 0.929 223 1HZ LYS 31 1HZ LYS 31 -0.879 15.037 1.597 224 2HZ LYS 31 2HZ LYS 31 0.737 14.817 2.054 225 3HZ LYS 31 3HZ LYS 31 -0.494 13.976 2.859
Contact the webmaster for help, if required. Friday, July 5, 2024 12:28:54 AM GMT (wattos1)