NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12984 | 1tv0 | 6264 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -10.972 11.346 -3.694 2 2H GLY 1 2H GLY 1 -11.014 9.693 -4.050 3 3H GLY 1 3H GLY 1 -9.556 10.544 -4.159 4 1HA GLY 1 1HA GLY 1 -9.545 10.927 -1.784 5 2HA GLY 1 2HA GLY 1 -11.084 10.090 -1.654 6 H LEU 2 H LEU 2 -10.778 7.886 -3.169 7 HA LEU 2 HA LEU 2 -8.986 6.304 -1.561 8 1HB LEU 2 1HB LEU 2 -10.754 5.521 -3.881 9 2HB LEU 2 2HB LEU 2 -9.910 4.402 -2.829 10 HG LEU 2 HG LEU 2 -12.044 6.325 -1.899 11 1HD1 LEU 2 1HD1 LEU 2 -12.964 4.656 -3.431 12 2HD1 LEU 2 2HD1 LEU 2 -13.507 4.379 -1.776 13 3HD1 LEU 2 3HD1 LEU 2 -12.238 3.370 -2.469 14 1HD2 LEU 2 1HD2 LEU 2 -12.028 4.976 0.135 15 2HD2 LEU 2 2HD2 LEU 2 -10.441 5.685 -0.165 16 3HD2 LEU 2 3HD2 LEU 2 -10.727 3.982 -0.524 17 H LEU 3 H LEU 3 -6.981 7.273 -2.246 18 HA LEU 3 HA LEU 3 -6.136 6.616 -4.977 19 1HB LEU 3 1HB LEU 3 -4.790 8.334 -2.889 20 2HB LEU 3 2HB LEU 3 -4.229 8.100 -4.534 21 HG LEU 3 HG LEU 3 -6.852 9.399 -3.785 22 1HD1 LEU 3 1HD1 LEU 3 -4.961 10.759 -3.071 23 2HD1 LEU 3 2HD1 LEU 3 -5.780 11.493 -4.450 24 3HD1 LEU 3 3HD1 LEU 3 -4.255 10.640 -4.682 25 1HD2 LEU 3 1HD2 LEU 3 -6.891 10.090 -6.136 26 2HD2 LEU 3 2HD2 LEU 3 -6.903 8.334 -5.973 27 3HD2 LEU 3 3HD2 LEU 3 -5.418 9.166 -6.429 28 H CYS 4 H CYS 4 -6.382 4.369 -3.561 29 HA CYS 4 HA CYS 4 -3.754 3.704 -2.454 30 1HB CYS 4 1HB CYS 4 -6.128 1.862 -2.519 31 2HB CYS 4 2HB CYS 4 -4.770 1.868 -1.400 32 H TYR 5 H TYR 5 -2.676 1.743 -3.127 33 HA TYR 5 HA TYR 5 -3.467 0.613 -5.697 34 1HB TYR 5 1HB TYR 5 -0.755 1.879 -5.238 35 2HB TYR 5 2HB TYR 5 -1.219 0.953 -6.660 36 HD1 TYR 5 1HD TYR 5 -1.244 4.182 -5.076 37 HD2 TYR 5 2HD TYR 5 -3.039 1.860 -8.157 38 HE1 TYR 5 1HE TYR 5 -2.056 6.242 -6.147 39 HE2 TYR 5 2HE TYR 5 -3.857 3.913 -9.235 40 HH TYR 5 HH TYR 5 -4.376 6.236 -8.622 41 H CYS 6 H CYS 6 -2.560 -1.427 -6.129 42 HA CYS 6 HA CYS 6 -1.732 -2.880 -3.775 43 1HB CYS 6 1HB CYS 6 -2.179 -3.766 -6.634 44 2HB CYS 6 2HB CYS 6 -1.779 -4.853 -5.310 45 H ARG 7 H ARG 7 0.285 -3.392 -3.221 46 HA ARG 7 HA ARG 7 2.410 -3.064 -5.237 47 1HB ARG 7 1HB ARG 7 2.419 -2.315 -2.315 48 2HB ARG 7 2HB ARG 7 3.886 -2.427 -3.276 49 1HG ARG 7 1HG ARG 7 1.566 -0.618 -3.916 50 2HG ARG 7 2HG ARG 7 3.008 -0.125 -3.027 51 1HD ARG 7 1HD ARG 7 4.406 -0.600 -4.923 52 2HD ARG 7 2HD ARG 7 3.044 -1.291 -5.804 53 HE ARG 7 HE ARG 7 2.902 1.519 -5.005 54 1HH1 ARG 7 1HH1 ARG 7 3.274 -0.887 -7.489 55 2HH1 ARG 7 2HH1 ARG 7 2.984 0.221 -8.791 56 1HH2 ARG 7 1HH2 ARG 7 2.515 2.990 -6.705 57 2HH2 ARG 7 2HH2 ARG 7 2.552 2.428 -8.344 58 H LYS 8 H LYS 8 4.442 -4.257 -4.642 59 HA LYS 8 HA LYS 8 3.788 -6.835 -3.371 60 1HB LYS 8 1HB LYS 8 3.975 -7.153 -5.764 61 2HB LYS 8 2HB LYS 8 5.513 -6.303 -5.796 62 1HG LYS 8 1HG LYS 8 6.508 -8.089 -4.431 63 2HG LYS 8 2HG LYS 8 4.967 -8.950 -4.463 64 1HD LYS 8 1HD LYS 8 5.101 -9.243 -6.831 65 2HD LYS 8 2HD LYS 8 6.496 -8.168 -6.941 66 1HE LYS 8 1HE LYS 8 6.439 -10.814 -5.491 67 2HE LYS 8 2HE LYS 8 7.121 -10.546 -7.095 68 1HZ LYS 8 1HZ LYS 8 8.707 -9.002 -6.125 69 2HZ LYS 8 2HZ LYS 8 8.833 -10.523 -5.394 70 3HZ LYS 8 3HZ LYS 8 8.053 -9.258 -4.585 71 H GLY 9 H GLY 9 4.914 -7.164 -1.580 72 1HA GLY 9 1HA GLY 9 6.808 -7.410 -0.251 73 2HA GLY 9 2HA GLY 9 7.755 -6.615 -1.500 74 H HIS 10 H HIS 10 7.040 -4.197 -1.788 75 HA HIS 10 HA HIS 10 6.265 -2.906 0.679 76 1HB HIS 10 1HB HIS 10 8.354 -1.529 0.773 77 2HB HIS 10 2HB HIS 10 8.598 -3.229 1.162 78 HD1 HIS 10 1HD HIS 10 8.246 -2.610 -2.425 79 HD2 HIS 10 2HD HIS 10 11.332 -2.689 0.355 80 HE1 HIS 10 1HE HIS 10 10.358 -2.771 -3.772 81 HE2 HIS 10 2HE HIS 10 12.209 -2.911 -2.069 82 H CYS 11 H CYS 11 6.524 -0.417 0.380 83 HA CYS 11 HA CYS 11 5.913 0.300 -2.409 84 1HB CYS 11 1HB CYS 11 3.833 0.123 -1.049 85 2HB CYS 11 2HB CYS 11 4.470 1.357 0.031 86 H LYS 12 H LYS 12 6.057 2.702 -2.767 87 HA LYS 12 HA LYS 12 8.581 3.632 -1.776 88 1HB LYS 12 1HB LYS 12 8.189 5.581 -3.235 89 2HB LYS 12 2HB LYS 12 7.966 4.060 -4.087 90 1HG LYS 12 1HG LYS 12 5.582 4.283 -3.986 91 2HG LYS 12 2HG LYS 12 5.718 5.705 -2.950 92 1HD LYS 12 1HD LYS 12 5.257 6.463 -5.168 93 2HD LYS 12 2HD LYS 12 6.944 6.842 -4.812 94 1HE LYS 12 1HE LYS 12 6.758 5.955 -7.054 95 2HE LYS 12 2HE LYS 12 7.630 4.814 -6.032 96 1HZ LYS 12 1HZ LYS 12 6.010 3.699 -7.435 97 2HZ LYS 12 2HZ LYS 12 4.759 4.621 -6.770 98 3HZ LYS 12 3HZ LYS 12 5.605 3.521 -5.802 99 H ARG 13 H ARG 13 5.222 4.315 -1.134 100 HA ARG 13 HA ARG 13 5.793 5.512 1.355 101 1HB ARG 13 1HB ARG 13 5.090 7.802 0.910 102 2HB ARG 13 2HB ARG 13 6.501 7.394 -0.050 103 1HG ARG 13 1HG ARG 13 4.943 6.935 -1.963 104 2HG ARG 13 2HG ARG 13 3.654 7.626 -0.979 105 1HD ARG 13 1HD ARG 13 6.179 9.012 -1.869 106 2HD ARG 13 2HD ARG 13 4.551 9.306 -2.477 107 HE ARG 13 HE ARG 13 4.313 9.777 0.173 108 1HH1 ARG 13 1HH1 ARG 13 6.506 10.939 -2.272 109 2HH1 ARG 13 2HH1 ARG 13 6.755 12.471 -1.503 110 1HH2 ARG 13 1HH2 ARG 13 4.635 11.787 1.193 111 2HH2 ARG 13 2HH2 ARG 13 5.693 12.951 0.469 112 H GLY 14 H GLY 14 4.114 4.998 2.585 113 1HA GLY 14 1HA GLY 14 1.760 5.266 3.090 114 2HA GLY 14 2HA GLY 14 1.422 5.044 1.380 115 H GLU 15 H GLU 15 3.758 3.011 2.937 116 HA GLU 15 HA GLU 15 2.520 0.625 2.174 117 1HB GLU 15 1HB GLU 15 4.595 1.197 4.292 118 2HB GLU 15 2HB GLU 15 4.091 -0.430 3.855 119 1HG GLU 15 1HG GLU 15 4.957 -0.228 1.683 120 2HG GLU 15 2HG GLU 15 5.180 1.514 1.844 121 H ARG 16 H ARG 16 0.663 -0.196 2.883 122 HA ARG 16 HA ARG 16 0.112 -0.185 5.758 123 1HB ARG 16 1HB ARG 16 -1.870 0.681 3.646 124 2HB ARG 16 2HB ARG 16 -2.253 0.419 5.342 125 1HG ARG 16 1HG ARG 16 -0.776 2.231 5.984 126 2HG ARG 16 2HG ARG 16 -0.305 2.467 4.300 127 1HD ARG 16 1HD ARG 16 -1.971 4.111 4.973 128 2HD ARG 16 2HD ARG 16 -2.615 3.035 3.733 129 HE ARG 16 HE ARG 16 -3.217 2.224 6.431 130 1HH1 ARG 16 1HH1 ARG 16 -4.234 4.136 3.700 131 2HH1 ARG 16 2HH1 ARG 16 -5.898 4.164 4.177 132 1HH2 ARG 16 1HH2 ARG 16 -5.405 2.255 7.065 133 2HH2 ARG 16 2HH2 ARG 16 -6.565 3.094 6.090 134 H VAL 17 H VAL 17 -1.809 -1.636 6.265 135 HA VAL 17 HA VAL 17 -2.014 -3.866 4.367 136 HB VAL 17 HB VAL 17 -1.747 -4.398 7.313 137 1HG1 VAL 17 1HG1 VAL 17 -2.691 -6.159 5.909 138 2HG1 VAL 17 2HG1 VAL 17 -1.118 -6.630 6.551 139 3HG1 VAL 17 3HG1 VAL 17 -1.264 -6.105 4.874 140 1HG2 VAL 17 1HG2 VAL 17 0.626 -4.925 6.949 141 2HG2 VAL 17 2HG2 VAL 17 0.280 -3.217 6.685 142 3HG2 VAL 17 3HG2 VAL 17 0.504 -4.294 5.306 143 H ARG 18 H ARG 18 -3.932 -1.935 4.617 144 HA ARG 18 HA ARG 18 -5.946 -2.583 6.524 145 1HB ARG 18 1HB ARG 18 -5.757 -0.373 5.375 146 2HB ARG 18 2HB ARG 18 -6.268 -1.146 3.880 147 1HG ARG 18 1HG ARG 18 -8.380 -1.808 5.044 148 2HG ARG 18 2HG ARG 18 -7.867 -0.809 6.405 149 1HD ARG 18 1HD ARG 18 -9.354 0.483 5.047 150 2HD ARG 18 2HD ARG 18 -7.725 1.126 4.845 151 HE ARG 18 HE ARG 18 -7.962 -0.628 2.796 152 1HH1 ARG 18 1HH1 ARG 18 -9.921 2.029 3.916 153 2HH1 ARG 18 2HH1 ARG 18 -10.518 2.421 2.338 154 1HH2 ARG 18 1HH2 ARG 18 -8.746 -0.121 0.717 155 2HH2 ARG 18 2HH2 ARG 18 -9.852 1.197 0.519 156 H GLY 19 H GLY 19 -5.778 -3.078 3.006 157 1HA GLY 19 1HA GLY 19 -7.390 -5.526 3.358 158 2HA GLY 19 2HA GLY 19 -7.734 -4.381 2.068 159 H THR 20 H THR 20 -5.524 -6.808 3.244 160 HA THR 20 HA THR 20 -3.404 -6.705 1.557 161 HB THR 20 HB THR 20 -3.201 -9.131 1.726 162 HG1 THR 20 1HG THR 20 -5.291 -9.787 3.202 163 1HG2 THR 20 1HG2 THR 20 -2.613 -7.767 3.679 164 2HG2 THR 20 2HG2 THR 20 -3.245 -9.341 4.161 165 3HG2 THR 20 3HG2 THR 20 -4.267 -7.910 4.275 166 H CYS 21 H CYS 21 -3.140 -6.637 -0.552 167 HA CYS 21 HA CYS 21 -5.326 -7.265 -2.339 168 1HB CYS 21 1HB CYS 21 -3.769 -5.258 -2.557 169 2HB CYS 21 2HB CYS 21 -2.542 -6.392 -3.111 170 H GLY 22 H GLY 22 -3.504 -9.275 -0.799 171 1HA GLY 22 1HA GLY 22 -3.796 -11.498 -2.317 172 2HA GLY 22 2HA GLY 22 -2.301 -10.806 -2.931 173 H ILE 23 H ILE 23 -1.236 -12.731 -2.196 174 HA ILE 23 HA ILE 23 -1.084 -13.146 0.685 175 HB ILE 23 HB ILE 23 0.299 -14.666 -1.531 176 1HG1 ILE 23 1HG1 ILE 23 -2.195 -15.408 0.014 177 2HG1 ILE 23 2HG1 ILE 23 -2.202 -14.749 -1.619 178 1HG2 ILE 23 1HG2 ILE 23 -0.104 -15.329 1.384 179 2HG2 ILE 23 2HG2 ILE 23 1.419 -14.886 0.616 180 3HG2 ILE 23 3HG2 ILE 23 0.619 -16.396 0.181 181 1HD1 ILE 23 1HD1 ILE 23 -0.959 -17.353 -0.765 182 2HD1 ILE 23 2HD1 ILE 23 -0.948 -16.694 -2.400 183 3HD1 ILE 23 3HD1 ILE 23 -2.474 -17.155 -1.646 184 H ARG 24 H ARG 24 1.304 -12.848 -1.952 185 HA ARG 24 HA ARG 24 3.304 -11.916 -0.059 186 1HB ARG 24 1HB ARG 24 4.860 -12.074 -1.931 187 2HB ARG 24 2HB ARG 24 3.929 -13.558 -1.781 188 1HG ARG 24 1HG ARG 24 2.411 -12.657 -3.576 189 2HG ARG 24 2HG ARG 24 3.595 -11.369 -3.813 190 1HD ARG 24 1HD ARG 24 4.163 -14.323 -4.035 191 2HD ARG 24 2HD ARG 24 3.888 -13.237 -5.396 192 HE ARG 24 HE ARG 24 5.965 -12.188 -3.852 193 1HH1 ARG 24 1HH1 ARG 24 5.307 -14.951 -5.869 194 2HH1 ARG 24 2HH1 ARG 24 6.960 -15.159 -6.344 195 1HH2 ARG 24 1HH2 ARG 24 8.144 -12.455 -4.474 196 2HH2 ARG 24 2HH2 ARG 24 8.572 -13.744 -5.548 197 H PHE 25 H PHE 25 0.835 -10.385 -1.190 198 HA PHE 25 HA PHE 25 2.311 -7.963 -1.993 199 1HB PHE 25 1HB PHE 25 -0.561 -8.684 -2.617 200 2HB PHE 25 2HB PHE 25 0.283 -7.234 -3.151 201 HD1 PHE 25 1HD PHE 25 -0.164 -10.812 -3.653 202 HD2 PHE 25 2HD PHE 25 1.978 -7.351 -4.889 203 HE1 PHE 25 1HE PHE 25 0.584 -12.002 -5.672 204 HE2 PHE 25 2HE PHE 25 2.731 -8.533 -6.911 205 HZ PHE 25 HZ PHE 25 2.033 -10.863 -7.304 206 H LEU 26 H LEU 26 0.867 -5.942 -1.538 207 HA LEU 26 HA LEU 26 -0.589 -6.090 0.971 208 1HB LEU 26 1HB LEU 26 0.769 -4.379 2.059 209 2HB LEU 26 2HB LEU 26 1.710 -5.819 1.725 210 HG LEU 26 HG LEU 26 1.784 -3.463 -0.131 211 1HD1 LEU 26 1HD1 LEU 26 3.749 -2.653 1.073 212 2HD1 LEU 26 2HD1 LEU 26 3.499 -3.886 2.311 213 3HD1 LEU 26 3HD1 LEU 26 2.306 -2.606 2.087 214 1HD2 LEU 26 1HD2 LEU 26 3.722 -5.687 0.494 215 2HD2 LEU 26 2HD2 LEU 26 4.010 -4.372 -0.645 216 3HD2 LEU 26 3HD2 LEU 26 2.728 -5.542 -0.956 217 H TYR 27 H TYR 27 -1.007 -3.536 1.586 218 HA TYR 27 HA TYR 27 -1.976 -2.346 -0.929 219 1HB TYR 27 1HB TYR 27 -3.491 -3.225 1.212 220 2HB TYR 27 2HB TYR 27 -3.389 -1.487 1.469 221 HD1 TYR 27 1HD TYR 27 -4.924 -0.110 0.379 222 HD2 TYR 27 2HD TYR 27 -4.097 -3.963 -1.224 223 HE1 TYR 27 1HE TYR 27 -6.665 0.225 -1.320 224 HE2 TYR 27 2HE TYR 27 -5.836 -3.635 -2.927 225 HH TYR 27 HH TYR 27 -7.219 -0.639 -3.591 226 H CYS 28 H CYS 28 -1.168 -0.446 -1.437 227 HA CYS 28 HA CYS 28 0.095 1.161 0.686 228 1HB CYS 28 1HB CYS 28 1.725 0.347 -0.927 229 2HB CYS 28 2HB CYS 28 0.769 0.988 -2.259 230 H CYS 29 H CYS 29 -1.228 2.767 1.249 231 HA CYS 29 HA CYS 29 -2.463 4.349 -0.902 232 1HB CYS 29 1HB CYS 29 -4.025 2.791 0.476 233 2HB CYS 29 2HB CYS 29 -3.821 3.988 1.751 234 HA PRO 30 HA PRO 30 0.133 7.301 1.420 235 1HB PRO 30 1HB PRO 30 -0.169 9.300 -0.441 236 2HB PRO 30 2HB PRO 30 1.066 8.039 -0.529 237 1HG PRO 30 1HG PRO 30 -1.580 8.205 -1.917 238 2HG PRO 30 2HG PRO 30 -0.009 7.680 -2.556 239 1HD PRO 30 1HD PRO 30 -1.899 5.913 -1.845 240 2HD PRO 30 2HD PRO 30 -0.174 5.583 -1.581 241 H ARG 31 H ARG 31 -0.254 9.589 2.111 242 HA ARG 31 HA ARG 31 -3.094 9.934 2.768 243 1HB ARG 31 1HB ARG 31 -1.266 9.758 4.565 244 2HB ARG 31 2HB ARG 31 -0.790 11.375 4.066 245 1HG ARG 31 1HG ARG 31 -3.080 12.161 4.580 246 2HG ARG 31 2HG ARG 31 -3.457 10.547 5.190 247 1HD ARG 31 1HD ARG 31 -1.372 12.447 6.253 248 2HD ARG 31 2HD ARG 31 -2.885 11.990 7.036 249 HE ARG 31 HE ARG 31 -1.562 9.630 6.647 250 1HH1 ARG 31 1HH1 ARG 31 -0.843 12.638 8.251 251 2HH1 ARG 31 2HH1 ARG 31 0.196 11.910 9.429 252 1HH2 ARG 31 1HH2 ARG 31 -0.195 8.663 8.192 253 2HH2 ARG 31 2HH2 ARG 31 0.568 9.649 9.394 254 H ARG 32 H ARG 32 -1.324 10.853 0.348 255 HA ARG 32 HA ARG 32 -2.749 13.298 -0.082 256 1HB ARG 32 1HB ARG 32 -0.922 14.155 1.303 257 2HB ARG 32 2HB ARG 32 0.257 13.420 0.226 258 1HG ARG 32 1HG ARG 32 -0.447 14.885 -1.579 259 2HG ARG 32 2HG ARG 32 -1.680 15.598 -0.536 260 1HD ARG 32 1HD ARG 32 0.029 16.454 0.952 261 2HD ARG 32 2HD ARG 32 1.289 15.663 0.004 262 HE ARG 32 HE ARG 32 0.092 17.248 -1.816 263 1HH1 ARG 32 1HH1 ARG 32 1.334 17.862 1.384 264 2HH1 ARG 32 2HH1 ARG 32 1.754 19.507 1.043 265 1HH2 ARG 32 1HH2 ARG 32 0.645 19.411 -2.271 266 2HH2 ARG 32 2HH2 ARG 32 1.361 20.388 -1.033 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -12.713 10.600 -2.626 2 2H GLY 1 2H GLY 1 -14.059 9.597 -2.832 3 3H GLY 1 3H GLY 1 -12.844 9.633 -4.008 4 1HA GLY 1 1HA GLY 1 -12.511 8.657 -1.224 5 2HA GLY 1 2HA GLY 1 -12.707 7.630 -2.636 6 H LEU 2 H LEU 2 -10.569 6.991 -1.375 7 HA LEU 2 HA LEU 2 -8.312 8.559 -2.385 8 1HB LEU 2 1HB LEU 2 -8.465 6.316 -0.373 9 2HB LEU 2 2HB LEU 2 -6.956 7.003 -0.936 10 HG LEU 2 HG LEU 2 -7.469 7.952 1.201 11 1HD1 LEU 2 1HD1 LEU 2 -8.120 9.999 -0.912 12 2HD1 LEU 2 2HD1 LEU 2 -6.496 9.455 -0.491 13 3HD1 LEU 2 3HD1 LEU 2 -7.477 10.308 0.700 14 1HD2 LEU 2 1HD2 LEU 2 -9.514 9.162 1.671 15 2HD2 LEU 2 2HD2 LEU 2 -9.883 7.506 1.193 16 3HD2 LEU 2 3HD2 LEU 2 -10.113 8.826 0.047 17 H LEU 3 H LEU 3 -6.727 7.694 -3.700 18 HA LEU 3 HA LEU 3 -7.478 5.200 -5.071 19 1HB LEU 3 1HB LEU 3 -5.836 7.527 -6.075 20 2HB LEU 3 2HB LEU 3 -6.184 6.069 -6.986 21 HG LEU 3 HG LEU 3 -8.256 8.051 -6.037 22 1HD1 LEU 3 1HD1 LEU 3 -7.087 7.590 -8.777 23 2HD1 LEU 3 2HD1 LEU 3 -6.843 9.012 -7.761 24 3HD1 LEU 3 3HD1 LEU 3 -8.445 8.652 -8.406 25 1HD2 LEU 3 1HD2 LEU 3 -9.138 5.789 -6.206 26 2HD2 LEU 3 2HD2 LEU 3 -8.483 5.641 -7.837 27 3HD2 LEU 3 3HD2 LEU 3 -9.770 6.800 -7.505 28 H CYS 4 H CYS 4 -6.387 3.861 -3.565 29 HA CYS 4 HA CYS 4 -3.581 4.212 -3.057 30 1HB CYS 4 1HB CYS 4 -5.252 1.745 -2.549 31 2HB CYS 4 2HB CYS 4 -3.726 2.179 -1.784 32 H TYR 5 H TYR 5 -2.329 1.896 -3.322 33 HA TYR 5 HA TYR 5 -2.746 0.892 -6.033 34 1HB TYR 5 1HB TYR 5 -0.105 2.033 -5.093 35 2HB TYR 5 2HB TYR 5 -0.390 1.236 -6.637 36 HD1 TYR 5 1HD TYR 5 -0.602 4.323 -4.787 37 HD2 TYR 5 2HD TYR 5 -1.907 2.332 -8.311 38 HE1 TYR 5 1HE TYR 5 -1.213 6.490 -5.776 39 HE2 TYR 5 2HE TYR 5 -2.520 4.492 -9.312 40 HH TYR 5 HH TYR 5 -3.127 6.774 -8.541 41 H CYS 6 H CYS 6 -2.307 -1.219 -6.243 42 HA CYS 6 HA CYS 6 -1.456 -2.691 -3.897 43 1HB CYS 6 1HB CYS 6 -3.290 -3.667 -5.033 44 2HB CYS 6 2HB CYS 6 -2.517 -3.488 -6.603 45 H ARG 7 H ARG 7 0.525 -3.524 -3.561 46 HA ARG 7 HA ARG 7 2.360 -3.705 -5.852 47 1HB ARG 7 1HB ARG 7 2.955 -2.474 -3.162 48 2HB ARG 7 2HB ARG 7 4.198 -2.915 -4.326 49 1HG ARG 7 1HG ARG 7 3.059 -1.393 -5.966 50 2HG ARG 7 2HG ARG 7 2.047 -0.838 -4.632 51 1HD ARG 7 1HD ARG 7 4.044 -0.136 -3.409 52 2HD ARG 7 2HD ARG 7 5.059 -0.704 -4.733 53 HE ARG 7 HE ARG 7 3.062 1.392 -5.219 54 1HH1 ARG 7 1HH1 ARG 7 6.386 0.350 -5.088 55 2HH1 ARG 7 2HH1 ARG 7 6.991 1.754 -5.902 56 1HH2 ARG 7 1HH2 ARG 7 3.852 3.242 -6.291 57 2HH2 ARG 7 2HH2 ARG 7 5.553 3.398 -6.582 58 H LYS 8 H LYS 8 4.482 -4.848 -5.046 59 HA LYS 8 HA LYS 8 3.693 -7.193 -3.445 60 1HB LYS 8 1HB LYS 8 3.822 -7.826 -5.783 61 2HB LYS 8 2HB LYS 8 5.412 -7.092 -5.930 62 1HG LYS 8 1HG LYS 8 6.191 -8.759 -4.188 63 2HG LYS 8 2HG LYS 8 4.649 -9.580 -4.434 64 1HD LYS 8 1HD LYS 8 6.594 -8.956 -6.652 65 2HD LYS 8 2HD LYS 8 6.552 -10.493 -5.786 66 1HE LYS 8 1HE LYS 8 4.240 -9.304 -7.314 67 2HE LYS 8 2HE LYS 8 5.323 -10.550 -7.932 68 1HZ LYS 8 1HZ LYS 8 3.280 -11.500 -7.060 69 2HZ LYS 8 2HZ LYS 8 3.574 -10.810 -5.544 70 3HZ LYS 8 3HZ LYS 8 4.609 -12.007 -6.142 71 H GLY 9 H GLY 9 4.697 -6.842 -1.537 72 1HA GLY 9 1HA GLY 9 6.762 -7.302 -0.354 73 2HA GLY 9 2HA GLY 9 7.622 -6.470 -1.640 74 H HIS 10 H HIS 10 8.194 -4.426 -1.290 75 HA HIS 10 HA HIS 10 6.838 -2.975 0.889 76 1HB HIS 10 1HB HIS 10 9.267 -3.746 1.249 77 2HB HIS 10 2HB HIS 10 9.700 -2.508 0.075 78 HD1 HIS 10 1HD HIS 10 8.138 -2.882 3.489 79 HD2 HIS 10 2HD HIS 10 9.807 0.053 1.066 80 HE1 HIS 10 1HE HIS 10 8.356 -0.847 4.951 81 HE2 HIS 10 2HE HIS 10 9.431 0.897 3.483 82 H CYS 11 H CYS 11 5.953 -1.078 0.392 83 HA CYS 11 HA CYS 11 6.100 -0.096 -2.311 84 1HB CYS 11 1HB CYS 11 3.983 -0.098 -1.013 85 2HB CYS 11 2HB CYS 11 4.683 1.080 0.090 86 H LYS 12 H LYS 12 6.284 2.384 -2.577 87 HA LYS 12 HA LYS 12 8.912 3.123 -1.719 88 1HB LYS 12 1HB LYS 12 8.548 5.151 -3.047 89 2HB LYS 12 2HB LYS 12 8.108 3.708 -3.951 90 1HG LYS 12 1HG LYS 12 5.755 4.122 -3.509 91 2HG LYS 12 2HG LYS 12 6.174 5.541 -2.547 92 1HD LYS 12 1HD LYS 12 7.232 6.530 -4.563 93 2HD LYS 12 2HD LYS 12 6.661 5.146 -5.498 94 1HE LYS 12 1HE LYS 12 4.350 5.718 -4.923 95 2HE LYS 12 2HE LYS 12 4.925 7.101 -3.992 96 1HZ LYS 12 1HZ LYS 12 5.236 6.706 -6.918 97 2HZ LYS 12 2HZ LYS 12 5.873 8.006 -6.045 98 3HZ LYS 12 3HZ LYS 12 4.198 7.806 -6.160 99 H ARG 13 H ARG 13 5.629 4.183 -0.945 100 HA ARG 13 HA ARG 13 6.405 5.083 1.635 101 1HB ARG 13 1HB ARG 13 6.067 7.449 1.396 102 2HB ARG 13 2HB ARG 13 7.277 6.947 0.227 103 1HG ARG 13 1HG ARG 13 5.433 6.865 -1.483 104 2HG ARG 13 2HG ARG 13 4.400 7.649 -0.285 105 1HD ARG 13 1HD ARG 13 6.964 8.729 -1.449 106 2HD ARG 13 2HD ARG 13 5.331 9.309 -1.774 107 HE ARG 13 HE ARG 13 5.550 9.582 0.905 108 1HH1 ARG 13 1HH1 ARG 13 7.552 10.594 -1.761 109 2HH1 ARG 13 2HH1 ARG 13 8.151 11.999 -0.945 110 1HH2 ARG 13 1HH2 ARG 13 6.335 11.429 1.987 111 2HH2 ARG 13 2HH2 ARG 13 7.460 12.475 1.185 112 H GLY 14 H GLY 14 4.651 5.418 2.977 113 1HA GLY 14 1HA GLY 14 2.436 5.535 3.629 114 2HA GLY 14 2HA GLY 14 1.998 5.811 1.950 115 H GLU 15 H GLU 15 3.520 3.122 3.739 116 HA GLU 15 HA GLU 15 2.010 1.201 2.196 117 1HB GLU 15 1HB GLU 15 3.756 0.618 4.586 118 2HB GLU 15 2HB GLU 15 3.302 -0.479 3.289 119 1HG GLU 15 1HG GLU 15 5.468 0.036 2.741 120 2HG GLU 15 2HG GLU 15 4.567 1.202 1.772 121 H ARG 16 H ARG 16 0.690 -0.478 3.213 122 HA ARG 16 HA ARG 16 -0.261 -0.161 5.879 123 1HB ARG 16 1HB ARG 16 -1.366 1.733 4.502 124 2HB ARG 16 2HB ARG 16 -2.340 0.449 3.798 125 1HG ARG 16 1HG ARG 16 -3.601 1.367 5.568 126 2HG ARG 16 2HG ARG 16 -2.996 -0.191 6.139 127 1HD ARG 16 1HD ARG 16 -2.761 1.499 7.869 128 2HD ARG 16 2HD ARG 16 -1.177 0.956 7.315 129 HE ARG 16 HE ARG 16 -2.170 3.324 5.997 130 1HH1 ARG 16 1HH1 ARG 16 -0.322 2.056 8.666 131 2HH1 ARG 16 2HH1 ARG 16 0.581 3.516 8.900 132 1HH2 ARG 16 1HH2 ARG 16 -0.987 5.246 6.299 133 2HH2 ARG 16 2HH2 ARG 16 0.203 5.329 7.555 134 H VAL 17 H VAL 17 -1.857 -1.740 6.469 135 HA VAL 17 HA VAL 17 -2.220 -3.894 4.502 136 HB VAL 17 HB VAL 17 -1.705 -4.477 7.409 137 1HG1 VAL 17 1HG1 VAL 17 -1.457 -6.150 4.911 138 2HG1 VAL 17 2HG1 VAL 17 -2.771 -6.227 6.084 139 3HG1 VAL 17 3HG1 VAL 17 -1.138 -6.698 6.557 140 1HG2 VAL 17 1HG2 VAL 17 0.344 -4.334 5.199 141 2HG2 VAL 17 2HG2 VAL 17 0.627 -4.994 6.809 142 3HG2 VAL 17 3HG2 VAL 17 0.252 -3.282 6.611 143 H ARG 18 H ARG 18 -4.108 -1.965 4.991 144 HA ARG 18 HA ARG 18 -6.028 -3.016 6.903 145 1HB ARG 18 1HB ARG 18 -5.763 -0.586 6.698 146 2HB ARG 18 2HB ARG 18 -6.204 -0.671 4.999 147 1HG ARG 18 1HG ARG 18 -8.066 0.117 6.325 148 2HG ARG 18 2HG ARG 18 -8.436 -1.458 5.621 149 1HD ARG 18 1HD ARG 18 -9.173 -1.334 7.944 150 2HD ARG 18 2HD ARG 18 -7.904 -2.541 7.742 151 HE ARG 18 HE ARG 18 -6.865 0.002 8.519 152 1HH1 ARG 18 1HH1 ARG 18 -8.394 -2.894 9.706 153 2HH1 ARG 18 2HH1 ARG 18 -7.756 -2.730 11.308 154 1HH2 ARG 18 1HH2 ARG 18 -6.019 0.227 10.626 155 2HH2 ARG 18 2HH2 ARG 18 -6.404 -0.957 11.830 156 H GLY 19 H GLY 19 -5.348 -3.072 3.526 157 1HA GLY 19 1HA GLY 19 -7.606 -4.900 3.114 158 2HA GLY 19 2HA GLY 19 -7.435 -3.518 2.038 159 H THR 20 H THR 20 -5.632 -6.299 3.299 160 HA THR 20 HA THR 20 -3.462 -6.391 1.689 161 HB THR 20 HB THR 20 -3.788 -8.080 3.370 162 HG1 THR 20 1HG THR 20 -3.666 -9.185 0.746 163 1HG2 THR 20 1HG2 THR 20 -5.991 -9.187 1.624 164 2HG2 THR 20 2HG2 THR 20 -6.224 -8.334 3.149 165 3HG2 THR 20 3HG2 THR 20 -5.400 -9.893 3.128 166 H CYS 21 H CYS 21 -2.988 -6.649 -0.379 167 HA CYS 21 HA CYS 21 -5.126 -6.821 -2.310 168 1HB CYS 21 1HB CYS 21 -3.316 -5.237 -2.675 169 2HB CYS 21 2HB CYS 21 -2.134 -6.540 -2.643 170 H GLY 22 H GLY 22 -2.713 -8.921 -0.959 171 1HA GLY 22 1HA GLY 22 -3.912 -11.233 -2.088 172 2HA GLY 22 2HA GLY 22 -2.435 -10.834 -2.953 173 H ILE 23 H ILE 23 -1.693 -12.930 -2.196 174 HA ILE 23 HA ILE 23 -1.346 -13.517 0.548 175 HB ILE 23 HB ILE 23 0.332 -14.584 -1.723 176 1HG1 ILE 23 1HG1 ILE 23 -2.284 -15.681 -0.664 177 2HG1 ILE 23 2HG1 ILE 23 -2.119 -14.786 -2.172 178 1HG2 ILE 23 1HG2 ILE 23 1.162 -15.073 0.525 179 2HG2 ILE 23 2HG2 ILE 23 0.592 -16.535 -0.282 180 3HG2 ILE 23 3HG2 ILE 23 -0.403 -15.764 0.954 181 1HD1 ILE 23 1HD1 ILE 23 -0.860 -17.440 -1.522 182 2HD1 ILE 23 2HD1 ILE 23 -0.612 -16.534 -3.014 183 3HD1 ILE 23 3HD1 ILE 23 -2.215 -17.151 -2.614 184 H ARG 24 H ARG 24 1.147 -12.695 -1.870 185 HA ARG 24 HA ARG 24 2.861 -11.727 0.300 186 1HB ARG 24 1HB ARG 24 4.678 -11.836 -1.341 187 2HB ARG 24 2HB ARG 24 3.841 -13.376 -1.214 188 1HG ARG 24 1HG ARG 24 2.545 -12.757 -3.252 189 2HG ARG 24 2HG ARG 24 3.578 -11.334 -3.407 190 1HD ARG 24 1HD ARG 24 4.393 -13.116 -4.833 191 2HD ARG 24 2HD ARG 24 5.546 -12.801 -3.536 192 HE ARG 24 HE ARG 24 4.337 -14.793 -2.431 193 1HH1 ARG 24 1HH1 ARG 24 4.945 -14.432 -5.845 194 2HH1 ARG 24 2HH1 ARG 24 5.021 -16.137 -6.142 195 1HH2 ARG 24 1HH2 ARG 24 4.438 -17.039 -2.815 196 2HH2 ARG 24 2HH2 ARG 24 4.732 -17.618 -4.421 197 H PHE 25 H PHE 25 0.522 -10.371 -1.281 198 HA PHE 25 HA PHE 25 1.945 -7.977 -2.190 199 1HB PHE 25 1HB PHE 25 -0.973 -8.731 -2.451 200 2HB PHE 25 2HB PHE 25 -0.223 -7.296 -3.142 201 HD1 PHE 25 1HD PHE 25 -0.497 -10.946 -3.357 202 HD2 PHE 25 2HD PHE 25 1.128 -7.429 -5.114 203 HE1 PHE 25 1HE PHE 25 0.051 -12.221 -5.388 204 HE2 PHE 25 2HE PHE 25 1.678 -8.696 -7.151 205 HZ PHE 25 HZ PHE 25 1.140 -11.095 -7.290 206 H LEU 26 H LEU 26 0.695 -5.869 -1.696 207 HA LEU 26 HA LEU 26 -0.599 -5.813 0.892 208 1HB LEU 26 1HB LEU 26 0.952 -4.428 2.006 209 2HB LEU 26 2HB LEU 26 1.880 -5.758 1.344 210 HG LEU 26 HG LEU 26 1.692 -3.051 0.026 211 1HD1 LEU 26 1HD1 LEU 26 3.870 -4.119 1.817 212 2HD1 LEU 26 2HD1 LEU 26 2.711 -2.863 2.252 213 3HD1 LEU 26 3HD1 LEU 26 3.877 -2.577 0.961 214 1HD2 LEU 26 1HD2 LEU 26 3.704 -3.829 -1.162 215 2HD2 LEU 26 2HD2 LEU 26 2.298 -4.844 -1.486 216 3HD2 LEU 26 3HD2 LEU 26 3.546 -5.397 -0.369 217 H TYR 27 H TYR 27 -1.041 -3.419 1.507 218 HA TYR 27 HA TYR 27 -1.961 -2.095 -0.951 219 1HB TYR 27 1HB TYR 27 -3.397 -2.897 1.274 220 2HB TYR 27 2HB TYR 27 -3.176 -1.171 1.535 221 HD1 TYR 27 1HD TYR 27 -3.989 -3.429 -1.331 222 HD2 TYR 27 2HD TYR 27 -4.895 0.159 0.768 223 HE1 TYR 27 1HE TYR 27 -5.816 -2.970 -2.913 224 HE2 TYR 27 2HE TYR 27 -6.724 0.627 -0.806 225 HH TYR 27 HH TYR 27 -7.904 -1.688 -2.995 226 H CYS 28 H CYS 28 -1.155 -0.187 -1.477 227 HA CYS 28 HA CYS 28 0.219 1.387 0.603 228 1HB CYS 28 1HB CYS 28 1.853 0.331 -0.890 229 2HB CYS 28 2HB CYS 28 1.047 1.036 -2.287 230 H CYS 29 H CYS 29 -1.060 3.082 0.989 231 HA CYS 29 HA CYS 29 -2.471 4.344 -1.255 232 1HB CYS 29 1HB CYS 29 -2.864 4.729 1.720 233 2HB CYS 29 2HB CYS 29 -3.851 5.433 0.445 234 HA PRO 30 HA PRO 30 0.026 7.966 -1.459 235 1HB PRO 30 1HB PRO 30 -2.452 9.573 -1.136 236 2HB PRO 30 2HB PRO 30 -1.238 9.620 -2.418 237 1HG PRO 30 1HG PRO 30 -3.626 8.502 -2.826 238 2HG PRO 30 2HG PRO 30 -2.154 7.811 -3.534 239 1HD PRO 30 1HD PRO 30 -3.748 6.879 -1.190 240 2HD PRO 30 2HD PRO 30 -2.887 5.935 -2.420 241 H ARG 31 H ARG 31 -0.075 10.376 -0.381 242 HA ARG 31 HA ARG 31 0.674 9.987 2.303 243 1HB ARG 31 1HB ARG 31 -0.015 12.562 0.872 244 2HB ARG 31 2HB ARG 31 0.831 12.445 2.409 245 1HG ARG 31 1HG ARG 31 1.836 11.295 -0.185 246 2HG ARG 31 2HG ARG 31 2.322 12.855 0.482 247 1HD ARG 31 1HD ARG 31 2.680 10.187 1.846 248 2HD ARG 31 2HD ARG 31 3.941 11.059 0.976 249 HE ARG 31 HE ARG 31 3.033 12.841 2.835 250 1HH1 ARG 31 1HH1 ARG 31 4.324 9.605 2.946 251 2HH1 ARG 31 2HH1 ARG 31 5.038 9.805 4.511 252 1HH2 ARG 31 1HH2 ARG 31 3.971 13.114 4.896 253 2HH2 ARG 31 2HH2 ARG 31 4.839 11.800 5.619 254 H ARG 32 H ARG 32 -1.824 12.329 1.360 255 HA ARG 32 HA ARG 32 -3.678 11.149 3.283 256 1HB ARG 32 1HB ARG 32 -2.748 14.023 3.384 257 2HB ARG 32 2HB ARG 32 -4.122 13.393 4.282 258 1HG ARG 32 1HG ARG 32 -2.681 11.914 5.531 259 2HG ARG 32 2HG ARG 32 -1.288 12.418 4.571 260 1HD ARG 32 1HD ARG 32 -1.484 14.679 5.425 261 2HD ARG 32 2HD ARG 32 -2.933 14.236 6.326 262 HE ARG 32 HE ARG 32 -1.300 12.577 7.455 263 1HH1 ARG 32 1HH1 ARG 32 -0.522 15.803 6.383 264 2HH1 ARG 32 2HH1 ARG 32 0.712 16.038 7.576 265 1HH2 ARG 32 1HH2 ARG 32 0.322 12.881 9.025 266 2HH2 ARG 32 2HH2 ARG 32 1.192 14.378 9.077 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -8.580 11.267 -6.175 2 2H GLY 1 2H GLY 1 -8.762 11.234 -4.494 3 3H GLY 1 3H GLY 1 -8.619 9.786 -5.357 4 1HA GLY 1 1HA GLY 1 -6.359 10.341 -5.991 5 2HA GLY 1 2HA GLY 1 -6.505 11.859 -5.117 6 H LEU 2 H LEU 2 -8.226 9.603 -3.435 7 HA LEU 2 HA LEU 2 -5.939 9.058 -1.664 8 1HB LEU 2 1HB LEU 2 -7.885 8.673 0.033 9 2HB LEU 2 2HB LEU 2 -7.349 10.298 -0.347 10 HG LEU 2 HG LEU 2 -9.241 10.454 -1.993 11 1HD1 LEU 2 1HD1 LEU 2 -9.626 8.078 -2.336 12 2HD1 LEU 2 2HD1 LEU 2 -11.090 8.870 -1.755 13 3HD1 LEU 2 3HD1 LEU 2 -10.115 7.899 -0.651 14 1HD2 LEU 2 1HD2 LEU 2 -10.934 10.861 -0.292 15 2HD2 LEU 2 2HD2 LEU 2 -9.359 11.449 0.240 16 3HD2 LEU 2 3HD2 LEU 2 -9.997 9.935 0.881 17 H LEU 3 H LEU 3 -6.747 7.467 -3.979 18 HA LEU 3 HA LEU 3 -7.867 5.043 -2.812 19 1HB LEU 3 1HB LEU 3 -6.972 5.606 -5.641 20 2HB LEU 3 2HB LEU 3 -7.827 4.174 -5.101 21 HG LEU 3 HG LEU 3 -8.935 6.982 -5.066 22 1HD1 LEU 3 1HD1 LEU 3 -9.555 4.644 -6.866 23 2HD1 LEU 3 2HD1 LEU 3 -8.688 6.110 -7.328 24 3HD1 LEU 3 3HD1 LEU 3 -10.388 6.199 -6.865 25 1HD2 LEU 3 1HD2 LEU 3 -9.848 5.625 -3.267 26 2HD2 LEU 3 2HD2 LEU 3 -10.225 4.336 -4.409 27 3HD2 LEU 3 3HD2 LEU 3 -11.061 5.884 -4.520 28 H CYS 4 H CYS 4 -6.740 3.224 -2.372 29 HA CYS 4 HA CYS 4 -3.876 3.420 -2.230 30 1HB CYS 4 1HB CYS 4 -5.323 0.854 -1.726 31 2HB CYS 4 2HB CYS 4 -3.949 1.551 -0.876 32 H TYR 5 H TYR 5 -2.600 1.357 -2.896 33 HA TYR 5 HA TYR 5 -3.509 0.313 -5.476 34 1HB TYR 5 1HB TYR 5 -0.800 1.593 -5.047 35 2HB TYR 5 2HB TYR 5 -1.332 0.783 -6.516 36 HD1 TYR 5 1HD TYR 5 -1.297 3.863 -4.665 37 HD2 TYR 5 2HD TYR 5 -3.252 1.787 -7.822 38 HE1 TYR 5 1HE TYR 5 -2.196 5.993 -5.502 39 HE2 TYR 5 2HE TYR 5 -4.156 3.912 -8.668 40 HH TYR 5 HH TYR 5 -4.661 6.159 -7.832 41 H CYS 6 H CYS 6 -2.825 -1.737 -5.928 42 HA CYS 6 HA CYS 6 -1.740 -3.255 -3.737 43 1HB CYS 6 1HB CYS 6 -2.423 -4.136 -6.551 44 2HB CYS 6 2HB CYS 6 -2.095 -5.199 -5.186 45 H ARG 7 H ARG 7 0.353 -3.603 -3.376 46 HA ARG 7 HA ARG 7 2.177 -3.818 -5.654 47 1HB ARG 7 1HB ARG 7 2.571 -1.935 -3.324 48 2HB ARG 7 2HB ARG 7 3.847 -2.380 -4.449 49 1HG ARG 7 1HG ARG 7 2.492 -1.447 -6.294 50 2HG ARG 7 2HG ARG 7 1.298 -0.919 -5.106 51 1HD ARG 7 1HD ARG 7 2.977 0.473 -4.020 52 2HD ARG 7 2HD ARG 7 4.195 -0.078 -5.169 53 HE ARG 7 HE ARG 7 2.093 1.857 -5.642 54 1HH1 ARG 7 1HH1 ARG 7 4.486 -0.256 -7.036 55 2HH1 ARG 7 2HH1 ARG 7 4.573 0.615 -8.529 56 1HH2 ARG 7 1HH2 ARG 7 2.202 3.010 -7.608 57 2HH2 ARG 7 2HH2 ARG 7 3.275 2.470 -8.855 58 H LYS 8 H LYS 8 4.482 -4.361 -4.720 59 HA LYS 8 HA LYS 8 4.307 -6.092 -2.379 60 1HB LYS 8 1HB LYS 8 3.759 -7.607 -4.174 61 2HB LYS 8 2HB LYS 8 5.122 -7.043 -5.129 62 1HG LYS 8 1HG LYS 8 5.517 -9.238 -4.100 63 2HG LYS 8 2HG LYS 8 6.678 -8.021 -3.569 64 1HD LYS 8 1HD LYS 8 5.369 -7.709 -1.504 65 2HD LYS 8 2HD LYS 8 4.255 -8.969 -2.037 66 1HE LYS 8 1HE LYS 8 6.029 -10.608 -1.992 67 2HE LYS 8 2HE LYS 8 7.211 -9.362 -1.593 68 1HZ LYS 8 1HZ LYS 8 6.105 -9.006 0.506 69 2HZ LYS 8 2HZ LYS 8 6.512 -10.641 0.353 70 3HZ LYS 8 3HZ LYS 8 4.914 -10.143 0.120 71 H GLY 9 H GLY 9 6.029 -5.822 -1.128 72 1HA GLY 9 1HA GLY 9 8.462 -5.890 -0.920 73 2HA GLY 9 2HA GLY 9 8.547 -4.927 -2.387 74 H HIS 10 H HIS 10 8.072 -2.706 -2.299 75 HA HIS 10 HA HIS 10 7.477 -1.500 0.260 76 1HB HIS 10 1HB HIS 10 9.500 0.005 0.112 77 2HB HIS 10 2HB HIS 10 9.835 -1.672 0.536 78 HD1 HIS 10 1HD HIS 10 10.166 -3.107 -1.971 79 HD2 HIS 10 2HD HIS 10 11.414 0.837 -1.594 80 HE1 HIS 10 1HE HIS 10 11.853 -2.764 -3.790 81 HE2 HIS 10 2HE HIS 10 12.534 -0.345 -3.606 82 H CYS 11 H CYS 11 5.892 -0.154 -0.255 83 HA CYS 11 HA CYS 11 5.595 0.958 -2.870 84 1HB CYS 11 1HB CYS 11 3.683 0.344 -1.386 85 2HB CYS 11 2HB CYS 11 4.113 1.690 -0.337 86 H LYS 12 H LYS 12 5.039 3.419 -2.979 87 HA LYS 12 HA LYS 12 7.449 4.819 -2.368 88 1HB LYS 12 1HB LYS 12 6.379 6.728 -3.463 89 2HB LYS 12 2HB LYS 12 6.208 5.269 -4.427 90 1HG LYS 12 1HG LYS 12 3.910 5.006 -3.550 91 2HG LYS 12 2HG LYS 12 4.098 6.538 -2.694 92 1HD LYS 12 1HD LYS 12 2.954 7.048 -4.698 93 2HD LYS 12 2HD LYS 12 4.619 7.578 -4.941 94 1HE LYS 12 1HE LYS 12 3.843 6.441 -6.920 95 2HE LYS 12 2HE LYS 12 5.080 5.463 -6.132 96 1HZ LYS 12 1HZ LYS 12 3.202 4.122 -6.857 97 2HZ LYS 12 2HZ LYS 12 2.148 5.039 -5.904 98 3HZ LYS 12 3HZ LYS 12 3.344 4.092 -5.172 99 H ARG 13 H ARG 13 4.170 4.828 -1.088 100 HA ARG 13 HA ARG 13 4.973 5.712 1.458 101 1HB ARG 13 1HB ARG 13 3.967 7.952 1.477 102 2HB ARG 13 2HB ARG 13 5.310 7.859 0.353 103 1HG ARG 13 1HG ARG 13 3.570 7.467 -1.455 104 2HG ARG 13 2HG ARG 13 2.377 7.970 -0.259 105 1HD ARG 13 1HD ARG 13 3.099 9.815 -1.720 106 2HD ARG 13 2HD ARG 13 3.462 10.113 -0.021 107 HE ARG 13 HE ARG 13 5.748 9.014 -0.980 108 1HH1 ARG 13 1HH1 ARG 13 3.765 11.696 -1.993 109 2HH1 ARG 13 2HH1 ARG 13 5.093 12.599 -2.640 110 1HH2 ARG 13 1HH2 ARG 13 7.501 10.198 -1.826 111 2HH2 ARG 13 2HH2 ARG 13 7.217 11.749 -2.543 112 H GLY 14 H GLY 14 3.557 4.756 2.749 113 1HA GLY 14 1HA GLY 14 1.240 4.784 3.567 114 2HA GLY 14 2HA GLY 14 0.732 4.662 1.891 115 H GLU 15 H GLU 15 3.445 2.800 2.979 116 HA GLU 15 HA GLU 15 2.322 0.355 2.165 117 1HB GLU 15 1HB GLU 15 4.690 0.984 3.929 118 2HB GLU 15 2HB GLU 15 4.262 -0.651 3.448 119 1HG GLU 15 1HG GLU 15 4.660 -0.187 1.172 120 2HG GLU 15 2HG GLU 15 4.804 1.544 1.473 121 H ARG 16 H ARG 16 0.543 -0.449 3.096 122 HA ARG 16 HA ARG 16 0.611 -0.950 5.980 123 1HB ARG 16 1HB ARG 16 -1.793 0.199 4.552 124 2HB ARG 16 2HB ARG 16 -1.704 -0.232 6.253 125 1HG ARG 16 1HG ARG 16 -0.043 1.504 6.625 126 2HG ARG 16 2HG ARG 16 -0.085 1.924 4.911 127 1HD ARG 16 1HD ARG 16 -1.445 3.482 6.148 128 2HD ARG 16 2HD ARG 16 -2.482 2.473 5.142 129 HE ARG 16 HE ARG 16 -2.329 1.270 7.644 130 1HH1 ARG 16 1HH1 ARG 16 -3.523 4.231 6.245 131 2HH1 ARG 16 2HH1 ARG 16 -4.782 4.428 7.418 132 1HH2 ARG 16 1HH2 ARG 16 -3.982 1.522 9.192 133 2HH2 ARG 16 2HH2 ARG 16 -5.040 2.890 9.095 134 H VAL 17 H VAL 17 -1.322 -2.407 6.589 135 HA VAL 17 HA VAL 17 -1.938 -4.301 4.434 136 HB VAL 17 HB VAL 17 -1.179 -5.278 7.180 137 1HG1 VAL 17 1HG1 VAL 17 -2.484 -6.802 5.816 138 2HG1 VAL 17 2HG1 VAL 17 -0.834 -7.400 5.987 139 3HG1 VAL 17 3HG1 VAL 17 -1.338 -6.625 4.486 140 1HG2 VAL 17 1HG2 VAL 17 1.036 -5.848 6.292 141 2HG2 VAL 17 2HG2 VAL 17 0.767 -4.106 6.304 142 3HG2 VAL 17 3HG2 VAL 17 0.647 -5.005 4.792 143 H ARG 18 H ARG 18 -3.693 -2.407 5.262 144 HA ARG 18 HA ARG 18 -5.418 -3.440 7.335 145 1HB ARG 18 1HB ARG 18 -5.130 -1.005 6.953 146 2HB ARG 18 2HB ARG 18 -5.883 -1.182 5.376 147 1HG ARG 18 1HG ARG 18 -7.966 -1.840 6.394 148 2HG ARG 18 2HG ARG 18 -7.224 -1.818 7.996 149 1HD ARG 18 1HD ARG 18 -8.526 0.205 7.614 150 2HD ARG 18 2HD ARG 18 -6.810 0.582 7.771 151 HE ARG 18 HE ARG 18 -7.402 0.248 5.055 152 1HH1 ARG 18 1HH1 ARG 18 -8.094 2.432 7.679 153 2HH1 ARG 18 2HH1 ARG 18 -8.304 3.809 6.650 154 1HH2 ARG 18 1HH2 ARG 18 -7.678 2.058 3.689 155 2HH2 ARG 18 2HH2 ARG 18 -8.067 3.596 4.383 156 H GLY 19 H GLY 19 -5.008 -3.843 3.983 157 1HA GLY 19 1HA GLY 19 -7.240 -5.679 3.867 158 2HA GLY 19 2HA GLY 19 -7.411 -4.262 2.839 159 H THR 20 H THR 20 -5.488 -7.132 3.474 160 HA THR 20 HA THR 20 -3.520 -6.982 1.584 161 HB THR 20 HB THR 20 -3.601 -8.862 3.077 162 HG1 THR 20 1HG THR 20 -3.263 -9.106 0.439 163 1HG2 THR 20 1HG2 THR 20 -6.020 -9.115 3.266 164 2HG2 THR 20 2HG2 THR 20 -5.271 -10.653 2.833 165 3HG2 THR 20 3HG2 THR 20 -6.103 -9.698 1.604 166 H CYS 21 H CYS 21 -3.310 -7.260 -0.575 167 HA CYS 21 HA CYS 21 -5.782 -7.241 -2.135 168 1HB CYS 21 1HB CYS 21 -4.039 -5.466 -2.459 169 2HB CYS 21 2HB CYS 21 -2.959 -6.712 -3.074 170 H GLY 22 H GLY 22 -3.333 -9.379 -1.209 171 1HA GLY 22 1HA GLY 22 -4.399 -11.463 -2.868 172 2HA GLY 22 2HA GLY 22 -2.794 -10.962 -3.379 173 H ILE 23 H ILE 23 -1.435 -12.512 -2.760 174 HA ILE 23 HA ILE 23 -1.808 -13.828 -0.180 175 HB ILE 23 HB ILE 23 0.195 -14.444 -2.357 176 1HG1 ILE 23 1HG1 ILE 23 -2.413 -15.831 -1.695 177 2HG1 ILE 23 2HG1 ILE 23 -2.173 -14.746 -3.059 178 1HG2 ILE 23 1HG2 ILE 23 -0.635 -16.019 0.079 179 2HG2 ILE 23 2HG2 ILE 23 0.914 -15.214 -0.165 180 3HG2 ILE 23 3HG2 ILE 23 0.463 -16.582 -1.181 181 1HD1 ILE 23 1HD1 ILE 23 -2.077 -17.053 -3.770 182 2HD1 ILE 23 2HD1 ILE 23 -0.783 -17.377 -2.616 183 3HD1 ILE 23 3HD1 ILE 23 -0.502 -16.286 -3.973 184 H ARG 24 H ARG 24 1.104 -12.758 -1.934 185 HA ARG 24 HA ARG 24 2.314 -12.028 0.625 186 1HB ARG 24 1HB ARG 24 4.425 -11.956 -0.603 187 2HB ARG 24 2HB ARG 24 3.601 -13.486 -0.870 188 1HG ARG 24 1HG ARG 24 2.722 -12.494 -3.019 189 2HG ARG 24 2HG ARG 24 3.857 -11.168 -2.761 190 1HD ARG 24 1HD ARG 24 4.506 -14.090 -3.103 191 2HD ARG 24 2HD ARG 24 4.875 -12.777 -4.221 192 HE ARG 24 HE ARG 24 6.054 -12.282 -1.699 193 1HH1 ARG 24 1HH1 ARG 24 6.398 -14.275 -4.539 194 2HH1 ARG 24 2HH1 ARG 24 8.106 -14.485 -4.341 195 1HH2 ARG 24 1HH2 ARG 24 8.302 -12.559 -1.431 196 2HH2 ARG 24 2HH2 ARG 24 9.186 -13.513 -2.574 197 H PHE 25 H PHE 25 0.697 -10.581 -1.944 198 HA PHE 25 HA PHE 25 2.093 -8.096 -2.044 199 1HB PHE 25 1HB PHE 25 -0.605 -9.018 -2.998 200 2HB PHE 25 2HB PHE 25 -0.135 -7.325 -3.105 201 HD1 PHE 25 1HD PHE 25 0.897 -10.742 -4.123 202 HD2 PHE 25 2HD PHE 25 1.150 -6.563 -4.885 203 HE1 PHE 25 1HE PHE 25 2.067 -11.202 -6.238 204 HE2 PHE 25 2HE PHE 25 2.320 -7.015 -7.000 205 HZ PHE 25 HZ PHE 25 2.780 -9.337 -7.680 206 H LEU 26 H LEU 26 1.159 -6.020 -1.394 207 HA LEU 26 HA LEU 26 -0.529 -6.206 1.003 208 1HB LEU 26 1HB LEU 26 0.822 -4.523 2.119 209 2HB LEU 26 2HB LEU 26 1.787 -5.931 1.728 210 HG LEU 26 HG LEU 26 1.800 -3.591 -0.127 211 1HD1 LEU 26 1HD1 LEU 26 3.437 -3.806 2.395 212 2HD1 LEU 26 2HD1 LEU 26 2.159 -2.631 2.089 213 3HD1 LEU 26 3HD1 LEU 26 3.637 -2.595 1.129 214 1HD2 LEU 26 1HD2 LEU 26 4.069 -4.365 -0.560 215 2HD2 LEU 26 2HD2 LEU 26 2.911 -5.676 -0.781 216 3HD2 LEU 26 3HD2 LEU 26 3.894 -5.607 0.680 217 H TYR 27 H TYR 27 -1.136 -3.828 1.680 218 HA TYR 27 HA TYR 27 -2.176 -2.558 -0.761 219 1HB TYR 27 1HB TYR 27 -3.521 -3.496 1.476 220 2HB TYR 27 2HB TYR 27 -3.453 -1.757 1.734 221 HD1 TYR 27 1HD TYR 27 -3.992 -3.973 -1.232 222 HD2 TYR 27 2HD TYR 27 -5.393 -0.698 1.095 223 HE1 TYR 27 1HE TYR 27 -5.875 -3.681 -2.786 224 HE2 TYR 27 2HE TYR 27 -7.280 -0.398 -0.453 225 HH TYR 27 HH TYR 27 -7.839 -0.925 -2.799 226 H CYS 28 H CYS 28 -1.569 -0.554 -1.248 227 HA CYS 28 HA CYS 28 -0.111 0.980 0.802 228 1HB CYS 28 1HB CYS 28 1.395 0.347 -0.958 229 2HB CYS 28 2HB CYS 28 0.266 0.890 -2.194 230 H CYS 29 H CYS 29 -1.677 2.289 1.614 231 HA CYS 29 HA CYS 29 -3.361 3.788 -0.248 232 1HB CYS 29 1HB CYS 29 -3.479 3.622 2.770 233 2HB CYS 29 2HB CYS 29 -4.635 4.456 1.738 234 HA PRO 30 HA PRO 30 -0.491 7.205 0.299 235 1HB PRO 30 1HB PRO 30 -1.719 8.950 -1.355 236 2HB PRO 30 2HB PRO 30 -0.760 7.593 -1.957 237 1HG PRO 30 1HG PRO 30 -3.732 7.830 -1.671 238 2HG PRO 30 2HG PRO 30 -2.789 7.173 -3.022 239 1HD PRO 30 1HD PRO 30 -3.973 5.599 -1.155 240 2HD PRO 30 2HD PRO 30 -2.464 5.149 -1.976 241 H ARG 31 H ARG 31 -0.436 8.822 1.743 242 HA ARG 31 HA ARG 31 -2.745 9.404 3.320 243 1HB ARG 31 1HB ARG 31 -0.499 9.330 4.303 244 2HB ARG 31 2HB ARG 31 -0.006 10.690 3.306 245 1HG ARG 31 1HG ARG 31 -0.449 11.485 5.511 246 2HG ARG 31 2HG ARG 31 -1.722 12.078 4.443 247 1HD ARG 31 1HD ARG 31 -3.202 10.293 5.213 248 2HD ARG 31 2HD ARG 31 -1.928 9.683 6.267 249 HE ARG 31 HE ARG 31 -2.506 12.418 6.799 250 1HH1 ARG 31 1HH1 ARG 31 -3.650 9.171 7.343 251 2HH1 ARG 31 2HH1 ARG 31 -4.480 9.572 8.809 252 1HH2 ARG 31 1HH2 ARG 31 -3.596 12.953 8.729 253 2HH2 ARG 31 2HH2 ARG 31 -4.452 11.721 9.594 254 H ARG 32 H ARG 32 -1.250 10.827 0.556 255 HA ARG 32 HA ARG 32 -2.358 13.444 0.866 256 1HB ARG 32 1HB ARG 32 -0.334 12.997 -0.487 257 2HB ARG 32 2HB ARG 32 -1.313 12.081 -1.624 258 1HG ARG 32 1HG ARG 32 -2.571 14.081 -2.187 259 2HG ARG 32 2HG ARG 32 -1.644 15.011 -1.007 260 1HD ARG 32 1HD ARG 32 0.412 14.513 -2.263 261 2HD ARG 32 2HD ARG 32 -0.543 13.635 -3.455 262 HE ARG 32 HE ARG 32 -1.697 16.072 -3.448 263 1HH1 ARG 32 1HH1 ARG 32 1.614 15.024 -3.724 264 2HH1 ARG 32 2HH1 ARG 32 2.090 16.359 -4.721 265 1HH2 ARG 32 1HH2 ARG 32 -1.079 17.835 -4.765 266 2HH2 ARG 32 2HH2 ARG 32 0.560 17.954 -5.313 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -7.931 14.382 -3.994 2 2H GLY 1 2H GLY 1 -8.344 13.857 -2.442 3 3H GLY 1 3H GLY 1 -9.515 14.569 -3.432 4 1HA GLY 1 1HA GLY 1 -9.852 12.200 -3.392 5 2HA GLY 1 2HA GLY 1 -9.352 12.724 -4.993 6 H LEU 2 H LEU 2 -8.956 10.331 -2.871 7 HA LEU 2 HA LEU 2 -6.240 9.748 -3.836 8 1HB LEU 2 1HB LEU 2 -5.583 8.846 -1.738 9 2HB LEU 2 2HB LEU 2 -6.239 10.442 -1.434 10 HG LEU 2 HG LEU 2 -7.823 7.904 -1.038 11 1HD1 LEU 2 1HD1 LEU 2 -6.267 9.506 0.989 12 2HD1 LEU 2 2HD1 LEU 2 -5.895 7.871 0.443 13 3HD1 LEU 2 3HD1 LEU 2 -7.371 8.182 1.355 14 1HD2 LEU 2 1HD2 LEU 2 -8.246 10.754 -0.143 15 2HD2 LEU 2 2HD2 LEU 2 -9.229 9.379 0.361 16 3HD2 LEU 2 3HD2 LEU 2 -9.199 9.867 -1.333 17 H LEU 3 H LEU 3 -5.728 7.490 -4.007 18 HA LEU 3 HA LEU 3 -7.950 5.612 -3.846 19 1HB LEU 3 1HB LEU 3 -8.116 6.511 -6.104 20 2HB LEU 3 2HB LEU 3 -6.423 6.158 -6.393 21 HG LEU 3 HG LEU 3 -6.916 3.739 -6.170 22 1HD1 LEU 3 1HD1 LEU 3 -9.259 3.004 -6.234 23 2HD1 LEU 3 2HD1 LEU 3 -9.777 4.676 -6.014 24 3HD1 LEU 3 3HD1 LEU 3 -8.868 3.859 -4.742 25 1HD2 LEU 3 1HD2 LEU 3 -8.071 3.510 -8.314 26 2HD2 LEU 3 2HD2 LEU 3 -6.856 4.786 -8.368 27 3HD2 LEU 3 3HD2 LEU 3 -8.564 5.201 -8.229 28 H CYS 4 H CYS 4 -7.122 4.076 -2.595 29 HA CYS 4 HA CYS 4 -4.393 3.543 -2.244 30 1HB CYS 4 1HB CYS 4 -6.659 1.605 -1.752 31 2HB CYS 4 2HB CYS 4 -5.084 1.625 -0.964 32 H TYR 5 H TYR 5 -3.010 2.034 -3.103 33 HA TYR 5 HA TYR 5 -4.022 0.472 -5.389 34 1HB TYR 5 1HB TYR 5 -1.340 1.852 -5.143 35 2HB TYR 5 2HB TYR 5 -1.822 0.802 -6.472 36 HD1 TYR 5 1HD TYR 5 -1.544 4.126 -5.454 37 HD2 TYR 5 2HD TYR 5 -4.119 1.529 -7.628 38 HE1 TYR 5 1HE TYR 5 -2.486 6.063 -6.639 39 HE2 TYR 5 2HE TYR 5 -5.068 3.459 -8.820 40 HH TYR 5 HH TYR 5 -5.318 5.871 -8.515 41 H CYS 6 H CYS 6 -2.796 -1.451 -5.901 42 HA CYS 6 HA CYS 6 -1.914 -2.835 -3.491 43 1HB CYS 6 1HB CYS 6 -3.394 -4.168 -4.717 44 2HB CYS 6 2HB CYS 6 -2.709 -3.681 -6.263 45 H ARG 7 H ARG 7 0.142 -3.417 -3.070 46 HA ARG 7 HA ARG 7 2.146 -3.047 -5.192 47 1HB ARG 7 1HB ARG 7 2.292 -2.052 -2.348 48 2HB ARG 7 2HB ARG 7 3.694 -2.162 -3.402 49 1HG ARG 7 1HG ARG 7 1.230 -0.524 -3.962 50 2HG ARG 7 2HG ARG 7 2.745 0.100 -3.305 51 1HD ARG 7 1HD ARG 7 3.922 -0.561 -5.320 52 2HD ARG 7 2HD ARG 7 2.451 -1.284 -5.968 53 HE ARG 7 HE ARG 7 2.513 1.586 -5.362 54 1HH1 ARG 7 1HH1 ARG 7 2.255 -1.022 -7.656 55 2HH1 ARG 7 2HH1 ARG 7 1.735 -0.001 -8.956 56 1HH2 ARG 7 1HH2 ARG 7 1.826 2.941 -7.066 57 2HH2 ARG 7 2HH2 ARG 7 1.490 2.251 -8.620 58 H LYS 8 H LYS 8 4.042 -4.312 -5.002 59 HA LYS 8 HA LYS 8 3.665 -6.709 -3.336 60 1HB LYS 8 1HB LYS 8 3.637 -7.089 -5.778 61 2HB LYS 8 2HB LYS 8 5.251 -6.401 -5.892 62 1HG LYS 8 1HG LYS 8 6.116 -8.205 -4.481 63 2HG LYS 8 2HG LYS 8 4.496 -8.898 -4.386 64 1HD LYS 8 1HD LYS 8 4.486 -9.201 -6.816 65 2HD LYS 8 2HD LYS 8 6.107 -8.508 -6.909 66 1HE LYS 8 1HE LYS 8 6.212 -10.934 -6.984 67 2HE LYS 8 2HE LYS 8 6.956 -10.329 -5.505 68 1HZ LYS 8 1HZ LYS 8 4.938 -10.873 -4.303 69 2HZ LYS 8 2HZ LYS 8 5.544 -12.247 -5.082 70 3HZ LYS 8 3HZ LYS 8 4.207 -11.433 -5.722 71 H GLY 9 H GLY 9 4.897 -6.696 -1.577 72 1HA GLY 9 1HA GLY 9 6.986 -6.911 -0.504 73 2HA GLY 9 2HA GLY 9 7.742 -6.096 -1.864 74 H HIS 10 H HIS 10 7.372 -3.761 -2.069 75 HA HIS 10 HA HIS 10 6.606 -2.429 0.413 76 1HB HIS 10 1HB HIS 10 8.697 -0.954 0.113 77 2HB HIS 10 2HB HIS 10 8.906 -2.556 0.814 78 HD1 HIS 10 1HD HIS 10 9.453 -4.439 -1.210 79 HD2 HIS 10 2HD HIS 10 10.532 -0.472 -1.807 80 HE1 HIS 10 1HE HIS 10 11.197 -4.484 -3.007 81 HE2 HIS 10 2HE HIS 10 11.784 -2.067 -3.414 82 H CYS 11 H CYS 11 5.879 -0.330 0.178 83 HA CYS 11 HA CYS 11 5.304 0.472 -2.586 84 1HB CYS 11 1HB CYS 11 3.382 0.159 -1.039 85 2HB CYS 11 2HB CYS 11 4.029 1.435 -0.016 86 H LYS 12 H LYS 12 5.207 2.864 -2.959 87 HA LYS 12 HA LYS 12 7.722 4.031 -2.196 88 1HB LYS 12 1HB LYS 12 6.993 5.904 -3.676 89 2HB LYS 12 2HB LYS 12 6.987 4.332 -4.465 90 1HG LYS 12 1HG LYS 12 4.610 4.177 -4.291 91 2HG LYS 12 2HG LYS 12 4.540 5.629 -3.292 92 1HD LYS 12 1HD LYS 12 5.394 6.952 -5.173 93 2HD LYS 12 2HD LYS 12 5.437 5.496 -6.170 94 1HE LYS 12 1HE LYS 12 3.031 5.255 -5.964 95 2HE LYS 12 2HE LYS 12 2.962 6.652 -4.892 96 1HZ LYS 12 1HZ LYS 12 3.755 8.037 -6.706 97 2HZ LYS 12 2HZ LYS 12 2.332 7.236 -7.148 98 3HZ LYS 12 3HZ LYS 12 3.823 6.695 -7.735 99 H ARG 13 H ARG 13 4.404 4.340 -1.246 100 HA ARG 13 HA ARG 13 5.047 5.788 1.084 101 1HB ARG 13 1HB ARG 13 3.926 7.918 0.552 102 2HB ARG 13 2HB ARG 13 5.362 7.662 -0.422 103 1HG ARG 13 1HG ARG 13 3.860 6.837 -2.250 104 2HG ARG 13 2HG ARG 13 2.494 7.375 -1.274 105 1HD ARG 13 1HD ARG 13 4.759 9.175 -2.106 106 2HD ARG 13 2HD ARG 13 3.270 8.994 -3.032 107 HE ARG 13 HE ARG 13 2.960 9.743 -0.244 108 1HH1 ARG 13 1HH1 ARG 13 3.154 10.780 -3.565 109 2HH1 ARG 13 2HH1 ARG 13 2.372 12.297 -3.272 110 1HH2 ARG 13 1HH2 ARG 13 1.929 11.740 0.152 111 2HH2 ARG 13 2HH2 ARG 13 1.679 12.845 -1.159 112 H GLY 14 H GLY 14 3.644 4.917 2.454 113 1HA GLY 14 1HA GLY 14 1.357 4.932 3.272 114 2HA GLY 14 2HA GLY 14 0.824 4.714 1.613 115 H GLU 15 H GLU 15 3.507 2.930 2.978 116 HA GLU 15 HA GLU 15 2.457 0.428 2.227 117 1HB GLU 15 1HB GLU 15 4.657 1.149 4.171 118 2HB GLU 15 2HB GLU 15 4.296 -0.496 3.668 119 1HG GLU 15 1HG GLU 15 4.936 -0.074 1.454 120 2HG GLU 15 2HG GLU 15 4.969 1.670 1.707 121 H ARG 16 H ARG 16 0.611 -0.351 3.081 122 HA ARG 16 HA ARG 16 0.502 -0.662 5.988 123 1HB ARG 16 1HB ARG 16 -1.734 0.515 4.330 124 2HB ARG 16 2HB ARG 16 -1.886 0.022 6.011 125 1HG ARG 16 1HG ARG 16 -0.164 1.678 6.621 126 2HG ARG 16 2HG ARG 16 -0.107 2.203 4.938 127 1HD ARG 16 1HD ARG 16 -1.522 3.704 6.172 128 2HD ARG 16 2HD ARG 16 -2.523 2.749 5.078 129 HE ARG 16 HE ARG 16 -2.497 1.420 7.511 130 1HH1 ARG 16 1HH1 ARG 16 -3.559 4.498 6.265 131 2HH1 ARG 16 2HH1 ARG 16 -4.843 4.665 7.416 132 1HH2 ARG 16 1HH2 ARG 16 -4.184 1.634 9.029 133 2HH2 ARG 16 2HH2 ARG 16 -5.196 3.038 8.988 134 H VAL 17 H VAL 17 -1.482 -2.039 6.583 135 HA VAL 17 HA VAL 17 -1.980 -4.094 4.543 136 HB VAL 17 HB VAL 17 -1.465 -4.821 7.421 137 1HG1 VAL 17 1HG1 VAL 17 -1.452 -6.428 4.869 138 2HG1 VAL 17 2HG1 VAL 17 -2.720 -6.430 6.096 139 3HG1 VAL 17 3HG1 VAL 17 -1.118 -7.057 6.482 140 1HG2 VAL 17 1HG2 VAL 17 0.534 -4.823 5.161 141 2HG2 VAL 17 2HG2 VAL 17 0.791 -5.523 6.760 142 3HG2 VAL 17 3HG2 VAL 17 0.570 -3.782 6.584 143 H ARG 18 H ARG 18 -3.812 -2.222 4.897 144 HA ARG 18 HA ARG 18 -5.657 -2.649 7.014 145 1HB ARG 18 1HB ARG 18 -7.214 -1.312 5.626 146 2HB ARG 18 2HB ARG 18 -5.641 -0.545 5.798 147 1HG ARG 18 1HG ARG 18 -5.038 -1.508 3.561 148 2HG ARG 18 2HG ARG 18 -6.727 -1.995 3.400 149 1HD ARG 18 1HD ARG 18 -5.702 0.818 3.769 150 2HD ARG 18 2HD ARG 18 -6.333 0.125 2.275 151 HE ARG 18 HE ARG 18 -8.422 -0.201 3.862 152 1HH1 ARG 18 1HH1 ARG 18 -6.306 2.546 3.520 153 2HH1 ARG 18 2HH1 ARG 18 -7.532 3.703 3.919 154 1HH2 ARG 18 1HH2 ARG 18 -10.044 1.315 4.388 155 2HH2 ARG 18 2HH2 ARG 18 -9.658 3.004 4.411 156 H GLY 19 H GLY 19 -5.009 -4.165 4.027 157 1HA GLY 19 1HA GLY 19 -7.038 -6.184 4.569 158 2HA GLY 19 2HA GLY 19 -7.140 -5.352 3.021 159 H THR 20 H THR 20 -6.076 -6.231 1.380 160 HA THR 20 HA THR 20 -3.470 -7.205 1.465 161 HB THR 20 HB THR 20 -4.187 -9.070 2.759 162 HG1 THR 20 1HG THR 20 -3.850 -10.803 1.189 163 1HG2 THR 20 1HG2 THR 20 -6.007 -10.570 2.042 164 2HG2 THR 20 2HG2 THR 20 -6.361 -9.478 0.702 165 3HG2 THR 20 3HG2 THR 20 -6.586 -8.935 2.364 166 H CYS 21 H CYS 21 -2.864 -8.379 -0.551 167 HA CYS 21 HA CYS 21 -4.750 -7.881 -2.749 168 1HB CYS 21 1HB CYS 21 -3.164 -6.025 -2.690 169 2HB CYS 21 2HB CYS 21 -1.815 -7.153 -2.707 170 H GLY 22 H GLY 22 -2.621 -9.965 -1.180 171 1HA GLY 22 1HA GLY 22 -3.177 -12.181 -2.753 172 2HA GLY 22 2HA GLY 22 -1.678 -11.505 -3.372 173 H ILE 23 H ILE 23 -0.418 -13.249 -2.763 174 HA ILE 23 HA ILE 23 -0.431 -14.432 -0.201 175 HB ILE 23 HB ILE 23 1.910 -14.335 -2.103 176 1HG1 ILE 23 1HG1 ILE 23 -0.121 -15.066 -3.285 177 2HG1 ILE 23 2HG1 ILE 23 1.022 -16.391 -3.096 178 1HG2 ILE 23 1HG2 ILE 23 1.117 -16.318 0.025 179 2HG2 ILE 23 2HG2 ILE 23 2.466 -15.184 0.094 180 3HG2 ILE 23 3HG2 ILE 23 2.479 -16.499 -1.082 181 1HD1 ILE 23 1HD1 ILE 23 -1.397 -15.936 -1.365 182 2HD1 ILE 23 2HD1 ILE 23 -0.287 -17.304 -1.285 183 3HD1 ILE 23 3HD1 ILE 23 -1.299 -17.073 -2.710 184 H ARG 24 H ARG 24 2.363 -12.690 -1.529 185 HA ARG 24 HA ARG 24 2.945 -11.682 1.153 186 1HB ARG 24 1HB ARG 24 5.158 -11.100 0.205 187 2HB ARG 24 2HB ARG 24 4.774 -12.808 0.033 188 1HG ARG 24 1HG ARG 24 4.062 -12.339 -2.308 189 2HG ARG 24 2HG ARG 24 4.657 -10.691 -2.101 190 1HD ARG 24 1HD ARG 24 6.290 -13.213 -1.839 191 2HD ARG 24 2HD ARG 24 6.311 -12.108 -3.212 192 HE ARG 24 HE ARG 24 6.943 -10.867 -0.690 193 1HH1 ARG 24 1HH1 ARG 24 8.197 -12.565 -3.463 194 2HH1 ARG 24 2HH1 ARG 24 9.809 -11.964 -3.264 195 1HH2 ARG 24 1HH2 ARG 24 9.066 -10.072 -0.418 196 2HH2 ARG 24 2HH2 ARG 24 10.303 -10.549 -1.533 197 H PHE 25 H PHE 25 1.291 -10.683 -1.498 198 HA PHE 25 HA PHE 25 2.166 -8.017 -1.843 199 1HB PHE 25 1HB PHE 25 -0.530 -9.282 -2.376 200 2HB PHE 25 2HB PHE 25 -0.061 -7.672 -2.910 201 HD1 PHE 25 1HD PHE 25 1.137 -7.363 -4.893 202 HD2 PHE 25 2HD PHE 25 0.765 -11.266 -3.239 203 HE1 PHE 25 1HE PHE 25 2.090 -8.321 -6.948 204 HE2 PHE 25 2HE PHE 25 1.719 -12.232 -5.291 205 HZ PHE 25 HZ PHE 25 2.384 -10.756 -7.149 206 H LEU 26 H LEU 26 1.119 -6.068 -1.175 207 HA LEU 26 HA LEU 26 -0.541 -6.291 1.233 208 1HB LEU 26 1HB LEU 26 0.734 -4.380 2.216 209 2HB LEU 26 2HB LEU 26 1.623 -5.886 2.129 210 HG LEU 26 HG LEU 26 1.939 -3.808 -0.007 211 1HD1 LEU 26 1HD1 LEU 26 3.835 -2.890 1.245 212 2HD1 LEU 26 2HD1 LEU 26 3.412 -3.910 2.620 213 3HD1 LEU 26 3HD1 LEU 26 2.308 -2.641 2.092 214 1HD2 LEU 26 1HD2 LEU 26 2.885 -5.989 -0.458 215 2HD2 LEU 26 2HD2 LEU 26 3.721 -5.979 1.095 216 3HD2 LEU 26 3HD2 LEU 26 4.182 -4.832 -0.163 217 H TYR 27 H TYR 27 -1.214 -3.885 1.866 218 HA TYR 27 HA TYR 27 -2.245 -2.734 -0.638 219 1HB TYR 27 1HB TYR 27 -3.686 -3.738 1.471 220 2HB TYR 27 2HB TYR 27 -3.684 -2.008 1.805 221 HD1 TYR 27 1HD TYR 27 -4.299 -4.430 -0.951 222 HD2 TYR 27 2HD TYR 27 -5.246 -0.649 0.749 223 HE1 TYR 27 1HE TYR 27 -6.061 -4.116 -2.643 224 HE2 TYR 27 2HE TYR 27 -7.009 -0.323 -0.932 225 HH TYR 27 HH TYR 27 -8.151 -2.822 -2.909 226 H CYS 28 H CYS 28 -1.511 -0.841 -1.185 227 HA CYS 28 HA CYS 28 -0.375 0.915 0.882 228 1HB CYS 28 1HB CYS 28 1.216 0.202 -0.854 229 2HB CYS 28 2HB CYS 28 0.154 0.851 -2.098 230 H CYS 29 H CYS 29 -0.746 3.211 0.680 231 HA CYS 29 HA CYS 29 -2.748 4.179 -1.130 232 1HB CYS 29 1HB CYS 29 -3.927 2.932 0.849 233 2HB CYS 29 2HB CYS 29 -3.532 4.389 1.753 234 HA PRO 30 HA PRO 30 -0.219 7.776 -0.424 235 1HB PRO 30 1HB PRO 30 -2.617 9.238 -1.392 236 2HB PRO 30 2HB PRO 30 -0.952 9.292 -1.979 237 1HG PRO 30 1HG PRO 30 -2.845 8.017 -3.357 238 2HG PRO 30 2HG PRO 30 -1.197 7.369 -3.250 239 1HD PRO 30 1HD PRO 30 -3.672 6.507 -1.812 240 2HD PRO 30 2HD PRO 30 -2.349 5.524 -2.472 241 H ARG 31 H ARG 31 0.091 8.662 1.504 242 HA ARG 31 HA ARG 31 -2.109 9.040 3.341 243 1HB ARG 31 1HB ARG 31 0.864 9.498 3.617 244 2HB ARG 31 2HB ARG 31 -0.294 9.755 4.916 245 1HG ARG 31 1HG ARG 31 -0.900 7.409 4.879 246 2HG ARG 31 2HG ARG 31 0.190 7.131 3.518 247 1HD ARG 31 1HD ARG 31 1.186 6.439 5.653 248 2HD ARG 31 2HD ARG 31 2.098 7.738 4.886 249 HE ARG 31 HE ARG 31 0.186 8.743 6.743 250 1HH1 ARG 31 1HH1 ARG 31 3.331 7.261 6.501 251 2HH1 ARG 31 2HH1 ARG 31 3.907 7.941 7.986 252 1HH2 ARG 31 1HH2 ARG 31 0.938 9.644 8.697 253 2HH2 ARG 31 2HH2 ARG 31 2.546 9.297 9.233 254 H ARG 32 H ARG 32 -2.097 10.707 0.983 255 HA ARG 32 HA ARG 32 -2.562 13.231 2.238 256 1HB ARG 32 1HB ARG 32 -0.125 13.372 1.977 257 2HB ARG 32 2HB ARG 32 -0.282 13.034 0.258 258 1HG ARG 32 1HG ARG 32 0.069 15.387 0.583 259 2HG ARG 32 2HG ARG 32 -1.574 15.121 -0.001 260 1HD ARG 32 1HD ARG 32 -1.641 16.755 1.755 261 2HD ARG 32 2HD ARG 32 -2.371 15.263 2.348 262 HE ARG 32 HE ARG 32 0.414 15.459 2.978 263 1HH1 ARG 32 1HH1 ARG 32 -2.789 16.418 3.968 264 2HH1 ARG 32 2HH1 ARG 32 -2.343 16.655 5.625 265 1HH2 ARG 32 1HH2 ARG 32 1.007 15.773 5.156 266 2HH2 ARG 32 2HH2 ARG 32 -0.186 16.293 6.299 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -11.206 10.387 -5.483 2 2H GLY 1 2H GLY 1 -10.785 10.810 -7.066 3 3H GLY 1 3H GLY 1 -11.562 11.934 -6.068 4 1HA GLY 1 1HA GLY 1 -9.204 12.437 -6.259 5 2HA GLY 1 2HA GLY 1 -9.661 12.042 -4.610 6 H LEU 2 H LEU 2 -7.757 11.258 -3.863 7 HA LEU 2 HA LEU 2 -6.445 9.111 -5.368 8 1HB LEU 2 1HB LEU 2 -5.520 10.783 -3.032 9 2HB LEU 2 2HB LEU 2 -4.605 9.439 -3.686 10 HG LEU 2 HG LEU 2 -4.654 10.694 -5.916 11 1HD1 LEU 2 1HD1 LEU 2 -6.404 12.284 -5.413 12 2HD1 LEU 2 2HD1 LEU 2 -4.892 13.138 -5.721 13 3HD1 LEU 2 3HD1 LEU 2 -5.466 12.932 -4.066 14 1HD2 LEU 2 1HD2 LEU 2 -2.740 12.080 -5.274 15 2HD2 LEU 2 2HD2 LEU 2 -2.655 10.477 -4.543 16 3HD2 LEU 2 3HD2 LEU 2 -3.156 11.863 -3.574 17 H LEU 3 H LEU 3 -7.037 7.109 -4.874 18 HA LEU 3 HA LEU 3 -7.862 6.523 -2.112 19 1HB LEU 3 1HB LEU 3 -8.497 5.070 -4.681 20 2HB LEU 3 2HB LEU 3 -8.981 4.526 -3.086 21 HG LEU 3 HG LEU 3 -9.858 7.116 -4.370 22 1HD1 LEU 3 1HD1 LEU 3 -11.346 4.526 -3.967 23 2HD1 LEU 3 2HD1 LEU 3 -10.806 5.188 -5.510 24 3HD1 LEU 3 3HD1 LEU 3 -12.040 6.030 -4.574 25 1HD2 LEU 3 1HD2 LEU 3 -10.726 5.771 -1.814 26 2HD2 LEU 3 2HD2 LEU 3 -11.446 7.223 -2.510 27 3HD2 LEU 3 3HD2 LEU 3 -9.778 7.253 -1.940 28 H CYS 4 H CYS 4 -7.449 4.132 -1.526 29 HA CYS 4 HA CYS 4 -4.661 3.735 -1.442 30 1HB CYS 4 1HB CYS 4 -6.839 1.715 -0.873 31 2HB CYS 4 2HB CYS 4 -5.172 1.640 -0.313 32 H TYR 5 H TYR 5 -3.458 1.872 -2.239 33 HA TYR 5 HA TYR 5 -4.548 0.718 -4.711 34 1HB TYR 5 1HB TYR 5 -1.758 1.849 -4.413 35 2HB TYR 5 2HB TYR 5 -2.404 1.054 -5.844 36 HD1 TYR 5 1HD TYR 5 -4.664 2.152 -6.750 37 HD2 TYR 5 2HD TYR 5 -1.752 4.153 -4.379 38 HE1 TYR 5 1HE TYR 5 -5.477 4.316 -7.588 39 HE2 TYR 5 2HE TYR 5 -2.558 6.323 -5.209 40 HH TYR 5 HH TYR 5 -5.479 6.666 -6.920 41 H CYS 6 H CYS 6 -2.738 -0.941 -5.543 42 HA CYS 6 HA CYS 6 -1.981 -2.618 -3.237 43 1HB CYS 6 1HB CYS 6 -3.682 -3.909 -4.064 44 2HB CYS 6 2HB CYS 6 -3.522 -3.270 -5.695 45 H ARG 7 H ARG 7 0.076 -3.261 -3.178 46 HA ARG 7 HA ARG 7 1.639 -3.298 -5.660 47 1HB ARG 7 1HB ARG 7 2.406 -1.879 -3.109 48 2HB ARG 7 2HB ARG 7 3.556 -2.265 -4.381 49 1HG ARG 7 1HG ARG 7 2.157 -0.937 -5.957 50 2HG ARG 7 2HG ARG 7 1.169 -0.446 -4.580 51 1HD ARG 7 1HD ARG 7 3.066 0.610 -3.536 52 2HD ARG 7 2HD ARG 7 4.142 0.008 -4.797 53 HE ARG 7 HE ARG 7 1.967 1.701 -5.697 54 1HH1 ARG 7 1HH1 ARG 7 5.306 1.495 -4.719 55 2HH1 ARG 7 2HH1 ARG 7 5.760 2.970 -5.504 56 1HH2 ARG 7 1HH2 ARG 7 2.558 3.645 -6.732 57 2HH2 ARG 7 2HH2 ARG 7 4.198 4.194 -6.646 58 H LYS 8 H LYS 8 4.042 -4.091 -4.838 59 HA LYS 8 HA LYS 8 3.589 -6.431 -3.115 60 1HB LYS 8 1HB LYS 8 3.545 -6.966 -5.605 61 2HB LYS 8 2HB LYS 8 5.250 -6.544 -5.628 62 1HG LYS 8 1HG LYS 8 5.642 -8.287 -3.898 63 2HG LYS 8 2HG LYS 8 3.953 -8.766 -4.069 64 1HD LYS 8 1HD LYS 8 4.916 -10.233 -5.533 65 2HD LYS 8 2HD LYS 8 4.619 -8.881 -6.627 66 1HE LYS 8 1HE LYS 8 7.211 -9.511 -5.220 67 2HE LYS 8 2HE LYS 8 6.868 -9.750 -6.933 68 1HZ LYS 8 1HZ LYS 8 8.120 -7.726 -6.573 69 2HZ LYS 8 2HZ LYS 8 6.935 -7.137 -5.521 70 3HZ LYS 8 3HZ LYS 8 6.578 -7.355 -7.161 71 H GLY 9 H GLY 9 4.969 -6.473 -1.482 72 1HA GLY 9 1HA GLY 9 6.949 -6.352 -0.310 73 2HA GLY 9 2HA GLY 9 7.774 -6.041 -1.828 74 H HIS 10 H HIS 10 8.023 -3.904 -2.550 75 HA HIS 10 HA HIS 10 7.971 -1.960 -0.372 76 1HB HIS 10 1HB HIS 10 10.026 -2.480 -1.851 77 2HB HIS 10 2HB HIS 10 9.212 -1.510 -3.075 78 HD1 HIS 10 1HD HIS 10 10.448 -1.171 0.496 79 HD2 HIS 10 2HD HIS 10 9.673 1.162 -2.853 80 HE1 HIS 10 1HE HIS 10 11.247 1.140 1.088 81 HE2 HIS 10 2HE HIS 10 10.697 2.551 -0.926 82 H CYS 11 H CYS 11 7.271 0.231 -0.750 83 HA CYS 11 HA CYS 11 5.330 0.552 -2.930 84 1HB CYS 11 1HB CYS 11 4.858 0.935 0.013 85 2HB CYS 11 2HB CYS 11 3.907 1.818 -1.174 86 H LYS 12 H LYS 12 4.432 3.027 -2.553 87 HA LYS 12 HA LYS 12 6.817 4.633 -2.961 88 1HB LYS 12 1HB LYS 12 5.179 6.396 -3.653 89 2HB LYS 12 2HB LYS 12 5.100 4.918 -4.602 90 1HG LYS 12 1HG LYS 12 3.142 4.200 -3.350 91 2HG LYS 12 2HG LYS 12 3.232 5.658 -2.357 92 1HD LYS 12 1HD LYS 12 2.865 7.039 -4.329 93 2HD LYS 12 2HD LYS 12 2.826 5.598 -5.346 94 1HE LYS 12 1HE LYS 12 0.846 4.806 -4.189 95 2HE LYS 12 2HE LYS 12 0.904 6.190 -3.099 96 1HZ LYS 12 1HZ LYS 12 0.547 7.647 -4.999 97 2HZ LYS 12 2HZ LYS 12 -0.713 6.526 -4.853 98 3HZ LYS 12 3HZ LYS 12 0.477 6.311 -6.035 99 H ARG 13 H ARG 13 3.951 4.643 -0.862 100 HA ARG 13 HA ARG 13 5.371 5.638 1.361 101 1HB ARG 13 1HB ARG 13 4.426 7.881 1.524 102 2HB ARG 13 2HB ARG 13 5.374 7.717 0.055 103 1HG ARG 13 1HG ARG 13 3.069 7.147 -1.027 104 2HG ARG 13 2HG ARG 13 2.428 7.985 0.387 105 1HD ARG 13 1HD ARG 13 4.364 9.087 -1.643 106 2HD ARG 13 2HD ARG 13 2.671 9.539 -1.448 107 HE ARG 13 HE ARG 13 3.948 9.998 0.983 108 1HH1 ARG 13 1HH1 ARG 13 4.047 11.188 -2.291 109 2HH1 ARG 13 2HH1 ARG 13 4.568 12.775 -1.835 110 1HH2 ARG 13 1HH2 ARG 13 4.631 12.089 1.592 111 2HH2 ARG 13 2HH2 ARG 13 4.899 13.287 0.371 112 H GLY 14 H GLY 14 4.274 5.150 3.169 113 1HA GLY 14 1HA GLY 14 2.490 4.732 4.580 114 2HA GLY 14 2HA GLY 14 1.403 5.256 3.304 115 H GLU 15 H GLU 15 3.360 2.537 4.439 116 HA GLU 15 HA GLU 15 1.823 0.710 2.750 117 1HB GLU 15 1HB GLU 15 4.134 0.060 4.581 118 2HB GLU 15 2HB GLU 15 3.460 -0.964 3.321 119 1HG GLU 15 1HG GLU 15 4.144 0.852 1.693 120 2HG GLU 15 2HG GLU 15 5.066 1.543 3.025 121 H ARG 16 H ARG 16 0.355 -0.714 3.523 122 HA ARG 16 HA ARG 16 0.111 -1.107 6.407 123 1HB ARG 16 1HB ARG 16 -2.109 -0.064 4.644 124 2HB ARG 16 2HB ARG 16 -2.357 -0.691 6.267 125 1HG ARG 16 1HG ARG 16 -0.423 1.538 5.802 126 2HG ARG 16 2HG ARG 16 -2.155 1.862 5.887 127 1HD ARG 16 1HD ARG 16 -1.218 2.179 8.069 128 2HD ARG 16 2HD ARG 16 -2.202 0.717 8.093 129 HE ARG 16 HE ARG 16 0.378 -0.100 7.545 130 1HH1 ARG 16 1HH1 ARG 16 -1.266 1.577 10.121 131 2HH1 ARG 16 2HH1 ARG 16 -0.198 0.997 11.354 132 1HH2 ARG 16 1HH2 ARG 16 1.788 -0.869 9.164 133 2HH2 ARG 16 2HH2 ARG 16 1.539 -0.394 10.809 134 H VAL 17 H VAL 17 -1.551 -2.792 6.927 135 HA VAL 17 HA VAL 17 -1.845 -4.762 4.762 136 HB VAL 17 HB VAL 17 -1.192 -5.571 7.592 137 1HG1 VAL 17 1HG1 VAL 17 -2.268 -7.261 6.214 138 2HG1 VAL 17 2HG1 VAL 17 -0.589 -7.698 6.530 139 3HG1 VAL 17 3HG1 VAL 17 -1.049 -7.038 4.960 140 1HG2 VAL 17 1HG2 VAL 17 1.116 -5.947 6.869 141 2HG2 VAL 17 2HG2 VAL 17 0.678 -4.242 6.759 142 3HG2 VAL 17 3HG2 VAL 17 0.743 -5.232 5.301 143 H ARG 18 H ARG 18 -3.875 -3.079 5.357 144 HA ARG 18 HA ARG 18 -5.643 -4.359 7.280 145 1HB ARG 18 1HB ARG 18 -5.501 -1.867 7.068 146 2HB ARG 18 2HB ARG 18 -6.207 -2.009 5.465 147 1HG ARG 18 1HG ARG 18 -8.228 -2.971 6.423 148 2HG ARG 18 2HG ARG 18 -7.519 -2.871 8.035 149 1HD ARG 18 1HD ARG 18 -8.042 -0.520 6.219 150 2HD ARG 18 2HD ARG 18 -9.082 -1.021 7.552 151 HE ARG 18 HE ARG 18 -6.332 -0.486 8.270 152 1HH1 ARG 18 1HH1 ARG 18 -9.558 0.790 7.947 153 2HH1 ARG 18 2HH1 ARG 18 -9.293 2.093 9.056 154 1HH2 ARG 18 1HH2 ARG 18 -5.973 1.227 9.732 155 2HH2 ARG 18 2HH2 ARG 18 -7.254 2.342 10.071 156 H GLY 19 H GLY 19 -5.123 -4.137 3.859 157 1HA GLY 19 1HA GLY 19 -7.196 -6.173 3.446 158 2HA GLY 19 2HA GLY 19 -7.239 -4.717 2.460 159 H THR 20 H THR 20 -5.218 -7.479 3.344 160 HA THR 20 HA THR 20 -3.097 -7.230 1.661 161 HB THR 20 HB THR 20 -2.942 -9.672 1.582 162 HG1 THR 20 1HG THR 20 -5.643 -9.468 2.041 163 1HG2 THR 20 1HG2 THR 20 -2.937 -10.101 3.997 164 2HG2 THR 20 2HG2 THR 20 -3.892 -8.642 4.257 165 3HG2 THR 20 3HG2 THR 20 -2.250 -8.521 3.625 166 H CYS 21 H CYS 21 -2.672 -7.372 -0.446 167 HA CYS 21 HA CYS 21 -4.916 -7.495 -2.282 168 1HB CYS 21 1HB CYS 21 -3.282 -5.697 -2.524 169 2HB CYS 21 2HB CYS 21 -1.992 -6.875 -2.735 170 H GLY 22 H GLY 22 -2.374 -9.520 -1.170 171 1HA GLY 22 1HA GLY 22 -3.343 -11.723 -2.730 172 2HA GLY 22 2HA GLY 22 -1.774 -11.160 -3.284 173 H ILE 23 H ILE 23 -0.805 -13.137 -2.711 174 HA ILE 23 HA ILE 23 -0.909 -14.095 -0.003 175 HB ILE 23 HB ILE 23 0.955 -14.900 -2.243 176 1HG1 ILE 23 1HG1 ILE 23 -1.594 -16.225 -1.288 177 2HG1 ILE 23 2HG1 ILE 23 -1.470 -15.230 -2.736 178 1HG2 ILE 23 1HG2 ILE 23 1.823 -15.497 -0.048 179 2HG2 ILE 23 2HG2 ILE 23 1.300 -16.937 -0.921 180 3HG2 ILE 23 3HG2 ILE 23 0.292 -16.271 0.362 181 1HD1 ILE 23 1HD1 ILE 23 -1.414 -17.574 -3.307 182 2HD1 ILE 23 2HD1 ILE 23 -0.040 -17.828 -2.232 183 3HD1 ILE 23 3HD1 ILE 23 0.141 -16.825 -3.671 184 H ARG 24 H ARG 24 1.595 -12.586 -2.036 185 HA ARG 24 HA ARG 24 3.089 -11.946 0.418 186 1HB ARG 24 1HB ARG 24 5.072 -11.719 -1.084 187 2HB ARG 24 2HB ARG 24 4.405 -13.345 -1.019 188 1HG ARG 24 1HG ARG 24 3.245 -12.933 -3.147 189 2HG ARG 24 2HG ARG 24 3.984 -11.332 -3.218 190 1HD ARG 24 1HD ARG 24 6.188 -12.306 -3.315 191 2HD ARG 24 2HD ARG 24 5.521 -13.922 -3.085 192 HE ARG 24 HE ARG 24 4.611 -12.447 -5.423 193 1HH1 ARG 24 1HH1 ARG 24 6.725 -14.877 -4.095 194 2HH1 ARG 24 2HH1 ARG 24 7.026 -15.634 -5.622 195 1HH2 ARG 24 1HH2 ARG 24 5.002 -13.437 -7.439 196 2HH2 ARG 24 2HH2 ARG 24 6.048 -14.815 -7.525 197 H PHE 25 H PHE 25 0.989 -10.592 -1.638 198 HA PHE 25 HA PHE 25 2.306 -8.070 -2.118 199 1HB PHE 25 1HB PHE 25 -0.582 -8.901 -2.478 200 2HB PHE 25 2HB PHE 25 0.108 -7.377 -3.026 201 HD1 PHE 25 1HD PHE 25 0.218 -11.040 -3.489 202 HD2 PHE 25 2HD PHE 25 1.274 -7.230 -5.064 203 HE1 PHE 25 1HE PHE 25 0.847 -12.099 -5.618 204 HE2 PHE 25 2HE PHE 25 1.904 -8.283 -7.197 205 HZ PHE 25 HZ PHE 25 1.691 -10.721 -7.476 206 H LEU 26 H LEU 26 0.710 -6.085 -1.548 207 HA LEU 26 HA LEU 26 -0.453 -6.284 1.080 208 1HB LEU 26 1HB LEU 26 0.984 -4.720 2.190 209 2HB LEU 26 2HB LEU 26 1.956 -6.044 1.582 210 HG LEU 26 HG LEU 26 1.708 -3.423 0.121 211 1HD1 LEU 26 1HD1 LEU 26 2.588 -2.962 2.337 212 2HD1 LEU 26 2HD1 LEU 26 3.858 -2.810 1.125 213 3HD1 LEU 26 3HD1 LEU 26 3.783 -4.244 2.148 214 1HD2 LEU 26 1HD2 LEU 26 3.659 -5.716 -0.017 215 2HD2 LEU 26 2HD2 LEU 26 3.870 -4.177 -0.851 216 3HD2 LEU 26 3HD2 LEU 26 2.508 -5.220 -1.257 217 H TYR 27 H TYR 27 -1.050 -3.965 1.862 218 HA TYR 27 HA TYR 27 -2.096 -2.536 -0.491 219 1HB TYR 27 1HB TYR 27 -3.518 -3.737 1.549 220 2HB TYR 27 2HB TYR 27 -3.492 -2.042 2.025 221 HD1 TYR 27 1HD TYR 27 -5.321 -0.820 1.343 222 HD2 TYR 27 2HD TYR 27 -3.932 -3.988 -1.132 223 HE1 TYR 27 1HE TYR 27 -7.117 -0.342 -0.264 224 HE2 TYR 27 2HE TYR 27 -5.725 -3.517 -2.749 225 HH TYR 27 HH TYR 27 -7.586 -0.691 -2.665 226 H CYS 28 H CYS 28 -1.383 -0.547 -0.791 227 HA CYS 28 HA CYS 28 -0.366 0.947 1.537 228 1HB CYS 28 1HB CYS 28 0.785 0.880 -1.259 229 2HB CYS 28 2HB CYS 28 1.319 1.969 0.018 230 H CYS 29 H CYS 29 -1.267 2.865 1.860 231 HA CYS 29 HA CYS 29 -2.867 4.026 -0.322 232 1HB CYS 29 1HB CYS 29 -3.866 3.147 1.994 233 2HB CYS 29 2HB CYS 29 -3.406 4.767 2.508 234 HA PRO 30 HA PRO 30 0.092 7.394 0.094 235 1HB PRO 30 1HB PRO 30 -0.879 8.948 -1.891 236 2HB PRO 30 2HB PRO 30 0.075 7.496 -2.210 237 1HG PRO 30 1HG PRO 30 -2.895 7.868 -2.294 238 2HG PRO 30 2HG PRO 30 -1.844 6.997 -3.426 239 1HD PRO 30 1HD PRO 30 -3.308 5.749 -1.503 240 2HD PRO 30 2HD PRO 30 -1.760 5.121 -2.100 241 H ARG 31 H ARG 31 -0.089 8.803 1.720 242 HA ARG 31 HA ARG 31 -2.648 9.935 2.437 243 1HB ARG 31 1HB ARG 31 0.090 10.379 3.639 244 2HB ARG 31 2HB ARG 31 -1.430 10.930 4.329 245 1HG ARG 31 1HG ARG 31 -2.155 8.596 4.561 246 2HG ARG 31 2HG ARG 31 -0.601 8.065 3.911 247 1HD ARG 31 1HD ARG 31 0.555 9.129 5.772 248 2HD ARG 31 2HD ARG 31 -0.981 9.711 6.410 249 HE ARG 31 HE ARG 31 -1.144 6.935 6.169 250 1HH1 ARG 31 1HH1 ARG 31 0.619 9.321 7.996 251 2HH1 ARG 31 2HH1 ARG 31 0.822 8.300 9.380 252 1HH2 ARG 31 1HH2 ARG 31 -0.877 5.582 7.989 253 2HH2 ARG 31 2HH2 ARG 31 -0.027 6.176 9.376 254 H ARG 32 H ARG 32 -0.195 10.782 0.321 255 HA ARG 32 HA ARG 32 -1.128 13.571 0.293 256 1HB ARG 32 1HB ARG 32 1.722 12.651 -0.131 257 2HB ARG 32 2HB ARG 32 1.147 14.303 -0.305 258 1HG ARG 32 1HG ARG 32 1.034 12.725 2.257 259 2HG ARG 32 2HG ARG 32 2.313 13.863 1.833 260 1HD ARG 32 1HD ARG 32 -0.614 14.559 2.038 261 2HD ARG 32 2HD ARG 32 0.577 14.838 3.308 262 HE ARG 32 HE ARG 32 1.549 16.054 1.016 263 1HH1 ARG 32 1HH1 ARG 32 -1.218 16.361 3.115 264 2HH1 ARG 32 2HH1 ARG 32 -1.400 18.060 2.835 265 1HH2 ARG 32 1HH2 ARG 32 1.316 18.289 0.645 266 2HH2 ARG 32 2HH2 ARG 32 0.038 19.156 1.431 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -4.223 9.696 -6.149 2 2H GLY 1 2H GLY 1 -4.426 9.172 -7.745 3 3H GLY 1 3H GLY 1 -4.806 8.138 -6.462 4 1HA GLY 1 1HA GLY 1 -6.210 10.666 -7.139 5 2HA GLY 1 2HA GLY 1 -6.816 9.045 -7.442 6 H LEU 2 H LEU 2 -8.561 8.939 -6.144 7 HA LEU 2 HA LEU 2 -8.217 9.660 -3.313 8 1HB LEU 2 1HB LEU 2 -10.782 9.236 -4.848 9 2HB LEU 2 2HB LEU 2 -10.642 9.803 -3.195 10 HG LEU 2 HG LEU 2 -9.684 11.291 -5.643 11 1HD1 LEU 2 1HD1 LEU 2 -11.512 12.843 -5.122 12 2HD1 LEU 2 2HD1 LEU 2 -12.048 11.765 -3.832 13 3HD1 LEU 2 3HD1 LEU 2 -12.107 11.229 -5.512 14 1HD2 LEU 2 1HD2 LEU 2 -9.307 13.152 -4.099 15 2HD2 LEU 2 2HD2 LEU 2 -8.303 11.760 -3.689 16 3HD2 LEU 2 3HD2 LEU 2 -9.748 12.116 -2.741 17 H LEU 3 H LEU 3 -7.451 7.125 -4.765 18 HA LEU 3 HA LEU 3 -8.753 5.286 -2.884 19 1HB LEU 3 1HB LEU 3 -8.269 4.699 -5.808 20 2HB LEU 3 2HB LEU 3 -8.893 3.564 -4.626 21 HG LEU 3 HG LEU 3 -10.301 6.109 -5.431 22 1HD1 LEU 3 1HD1 LEU 3 -10.122 4.545 -7.312 23 2HD1 LEU 3 2HD1 LEU 3 -11.782 4.699 -6.736 24 3HD1 LEU 3 3HD1 LEU 3 -10.832 3.275 -6.313 25 1HD2 LEU 3 1HD2 LEU 3 -11.228 3.710 -3.855 26 2HD2 LEU 3 2HD2 LEU 3 -12.221 5.095 -4.312 27 3HD2 LEU 3 3HD2 LEU 3 -10.871 5.307 -3.197 28 H CYS 4 H CYS 4 -7.505 3.349 -2.450 29 HA CYS 4 HA CYS 4 -4.658 3.910 -2.475 30 1HB CYS 4 1HB CYS 4 -6.056 1.517 -1.273 31 2HB CYS 4 2HB CYS 4 -4.440 2.108 -0.907 32 H TYR 5 H TYR 5 -3.123 2.130 -2.972 33 HA TYR 5 HA TYR 5 -4.074 0.320 -5.079 34 1HB TYR 5 1HB TYR 5 -1.520 1.923 -5.308 35 2HB TYR 5 2HB TYR 5 -2.231 0.868 -6.525 36 HD1 TYR 5 1HD TYR 5 -4.558 1.543 -7.431 37 HD2 TYR 5 2HD TYR 5 -1.982 4.201 -5.335 38 HE1 TYR 5 1HE TYR 5 -5.760 3.458 -8.397 39 HE2 TYR 5 2HE TYR 5 -3.178 6.125 -6.292 40 HH TYR 5 HH TYR 5 -4.579 6.642 -8.233 41 H CYS 6 H CYS 6 -3.366 -1.710 -4.791 42 HA CYS 6 HA CYS 6 -1.439 -2.201 -2.679 43 1HB CYS 6 1HB CYS 6 -2.045 -4.549 -2.913 44 2HB CYS 6 2HB CYS 6 -3.484 -3.550 -2.766 45 H ARG 7 H ARG 7 0.633 -2.586 -2.982 46 HA ARG 7 HA ARG 7 1.556 -3.208 -5.712 47 1HB ARG 7 1HB ARG 7 2.949 -1.684 -3.505 48 2HB ARG 7 2HB ARG 7 3.695 -2.119 -5.038 49 1HG ARG 7 1HG ARG 7 1.938 -0.793 -6.194 50 2HG ARG 7 2HG ARG 7 1.359 -0.268 -4.611 51 1HD ARG 7 1HD ARG 7 3.675 0.589 -4.161 52 2HD ARG 7 2HD ARG 7 4.058 0.247 -5.846 53 HE ARG 7 HE ARG 7 1.798 2.006 -5.262 54 1HH1 ARG 7 1HH1 ARG 7 5.061 1.600 -6.417 55 2HH1 ARG 7 2HH1 ARG 7 5.118 3.154 -7.182 56 1HH2 ARG 7 1HH2 ARG 7 1.866 4.050 -6.267 57 2HH2 ARG 7 2HH2 ARG 7 3.305 4.546 -7.095 58 H LYS 8 H LYS 8 4.015 -4.052 -5.436 59 HA LYS 8 HA LYS 8 3.817 -6.392 -3.659 60 1HB LYS 8 1HB LYS 8 3.836 -6.965 -6.039 61 2HB LYS 8 2HB LYS 8 5.335 -6.071 -6.256 62 1HG LYS 8 1HG LYS 8 6.424 -7.643 -4.659 63 2HG LYS 8 2HG LYS 8 4.933 -8.586 -4.652 64 1HD LYS 8 1HD LYS 8 6.545 -7.950 -7.122 65 2HD LYS 8 2HD LYS 8 6.662 -9.457 -6.212 66 1HE LYS 8 1HE LYS 8 4.289 -9.893 -6.644 67 2HE LYS 8 2HE LYS 8 4.182 -8.389 -7.559 68 1HZ LYS 8 1HZ LYS 8 4.447 -10.307 -9.009 69 2HZ LYS 8 2HZ LYS 8 5.906 -10.707 -8.253 70 3HZ LYS 8 3HZ LYS 8 5.778 -9.270 -9.136 71 H GLY 9 H GLY 9 5.290 -6.650 -2.105 72 1HA GLY 9 1HA GLY 9 7.337 -6.518 -1.014 73 2HA GLY 9 2HA GLY 9 7.965 -5.584 -2.362 74 H HIS 10 H HIS 10 8.004 -3.388 -2.245 75 HA HIS 10 HA HIS 10 6.838 -2.166 0.160 76 1HB HIS 10 1HB HIS 10 8.847 -0.566 0.021 77 2HB HIS 10 2HB HIS 10 9.130 -2.187 0.652 78 HD1 HIS 10 1HD HIS 10 9.957 -3.933 -1.338 79 HD2 HIS 10 2HD HIS 10 10.626 0.128 -1.893 80 HE1 HIS 10 1HE HIS 10 11.739 -3.783 -3.091 81 HE2 HIS 10 2HE HIS 10 12.058 -1.316 -3.492 82 H CYS 11 H CYS 11 6.104 -0.025 -0.027 83 HA CYS 11 HA CYS 11 5.608 0.816 -2.802 84 1HB CYS 11 1HB CYS 11 3.616 0.284 -1.399 85 2HB CYS 11 2HB CYS 11 4.076 1.587 -0.311 86 H LYS 12 H LYS 12 5.225 3.285 -2.953 87 HA LYS 12 HA LYS 12 7.659 4.553 -2.139 88 1HB LYS 12 1HB LYS 12 6.760 6.525 -3.327 89 2HB LYS 12 2HB LYS 12 6.718 5.066 -4.307 90 1HG LYS 12 1HG LYS 12 4.328 4.809 -3.779 91 2HG LYS 12 2HG LYS 12 4.391 6.314 -2.860 92 1HD LYS 12 1HD LYS 12 5.066 7.515 -4.891 93 2HD LYS 12 2HD LYS 12 4.982 6.008 -5.805 94 1HE LYS 12 1HE LYS 12 2.588 5.833 -5.242 95 2HE LYS 12 2HE LYS 12 2.691 7.378 -4.397 96 1HZ LYS 12 1HZ LYS 12 1.819 7.672 -6.617 97 2HZ LYS 12 2HZ LYS 12 3.184 6.938 -7.293 98 3HZ LYS 12 3HZ LYS 12 3.332 8.421 -6.494 99 H ARG 13 H ARG 13 4.309 4.672 -1.085 100 HA ARG 13 HA ARG 13 5.020 5.724 1.444 101 1HB ARG 13 1HB ARG 13 3.972 7.912 1.308 102 2HB ARG 13 2HB ARG 13 5.272 7.792 0.136 103 1HG ARG 13 1HG ARG 13 3.518 7.242 -1.585 104 2HG ARG 13 2HG ARG 13 2.313 7.686 -0.376 105 1HD ARG 13 1HD ARG 13 4.527 9.493 -1.335 106 2HD ARG 13 2HD ARG 13 2.878 9.519 -1.956 107 HE ARG 13 HE ARG 13 3.213 9.896 0.912 108 1HH1 ARG 13 1HH1 ARG 13 2.666 11.312 -2.225 109 2HH1 ARG 13 2HH1 ARG 13 2.067 12.807 -1.590 110 1HH2 ARG 13 1HH2 ARG 13 2.426 11.867 1.757 111 2HH2 ARG 13 2HH2 ARG 13 1.930 13.123 0.672 112 H GLY 14 H GLY 14 3.537 5.060 2.867 113 1HA GLY 14 1HA GLY 14 1.268 4.910 3.637 114 2HA GLY 14 2HA GLY 14 0.753 4.751 1.966 115 H GLU 15 H GLU 15 3.493 2.943 3.078 116 HA GLU 15 HA GLU 15 2.390 0.470 2.313 117 1HB GLU 15 1HB GLU 15 4.770 1.138 4.047 118 2HB GLU 15 2HB GLU 15 4.370 -0.495 3.536 119 1HG GLU 15 1HG GLU 15 4.771 -0.004 1.280 120 2HG GLU 15 2HG GLU 15 4.810 1.733 1.579 121 H ARG 16 H ARG 16 0.640 -0.346 3.285 122 HA ARG 16 HA ARG 16 0.785 -0.868 6.155 123 1HB ARG 16 1HB ARG 16 -1.603 0.416 4.815 124 2HB ARG 16 2HB ARG 16 -1.561 -0.159 6.476 125 1HG ARG 16 1HG ARG 16 0.291 1.461 6.906 126 2HG ARG 16 2HG ARG 16 0.016 2.111 5.290 127 1HD ARG 16 1HD ARG 16 -2.038 1.979 7.494 128 2HD ARG 16 2HD ARG 16 -1.125 3.416 7.037 129 HE ARG 16 HE ARG 16 -2.592 2.240 4.863 130 1HH1 ARG 16 1HH1 ARG 16 -2.741 4.443 7.560 131 2HH1 ARG 16 2HH1 ARG 16 -4.062 5.354 6.909 132 1HH2 ARG 16 1HH2 ARG 16 -4.331 3.437 3.999 133 2HH2 ARG 16 2HH2 ARG 16 -4.966 4.782 4.886 134 H VAL 17 H VAL 17 -1.072 -2.357 6.831 135 HA VAL 17 HA VAL 17 -1.820 -4.170 4.651 136 HB VAL 17 HB VAL 17 0.205 -5.027 5.823 137 1HG1 VAL 17 1HG1 VAL 17 -0.009 -5.938 8.079 138 2HG1 VAL 17 2HG1 VAL 17 -1.641 -5.283 8.190 139 3HG1 VAL 17 3HG1 VAL 17 -0.262 -4.193 8.056 140 1HG2 VAL 17 1HG2 VAL 17 -1.356 -6.536 4.673 141 2HG2 VAL 17 2HG2 VAL 17 -2.249 -6.743 6.180 142 3HG2 VAL 17 3HG2 VAL 17 -0.584 -7.307 6.059 143 H ARG 18 H ARG 18 -3.478 -2.264 5.750 144 HA ARG 18 HA ARG 18 -5.128 -3.428 7.806 145 1HB ARG 18 1HB ARG 18 -4.845 -0.971 7.555 146 2HB ARG 18 2HB ARG 18 -5.687 -1.054 6.014 147 1HG ARG 18 1HG ARG 18 -7.696 -1.855 7.155 148 2HG ARG 18 2HG ARG 18 -6.849 -1.767 8.701 149 1HD ARG 18 1HD ARG 18 -8.246 0.195 8.386 150 2HD ARG 18 2HD ARG 18 -6.542 0.646 8.381 151 HE ARG 18 HE ARG 18 -7.543 0.174 5.750 152 1HH1 ARG 18 1HH1 ARG 18 -7.395 2.529 8.317 153 2HH1 ARG 18 2HH1 ARG 18 -7.574 3.886 7.255 154 1HH2 ARG 18 1HH2 ARG 18 -7.782 1.954 4.348 155 2HH2 ARG 18 2HH2 ARG 18 -7.796 3.558 5.001 156 H GLY 19 H GLY 19 -4.922 -3.544 4.397 157 1HA GLY 19 1HA GLY 19 -7.202 -5.356 4.293 158 2HA GLY 19 2HA GLY 19 -7.311 -3.911 3.296 159 H THR 20 H THR 20 -5.467 -6.847 3.884 160 HA THR 20 HA THR 20 -3.508 -6.754 2.002 161 HB THR 20 HB THR 20 -3.633 -9.196 1.830 162 HG1 THR 20 1HG THR 20 -5.402 -10.285 2.405 163 1HG2 THR 20 1HG2 THR 20 -3.455 -9.718 4.231 164 2HG2 THR 20 2HG2 THR 20 -4.168 -8.150 4.612 165 3HG2 THR 20 3HG2 THR 20 -2.599 -8.234 3.812 166 H CYS 21 H CYS 21 -3.261 -7.447 -0.138 167 HA CYS 21 HA CYS 21 -5.713 -7.271 -1.766 168 1HB CYS 21 1HB CYS 21 -4.144 -5.348 -1.967 169 2HB CYS 21 2HB CYS 21 -2.903 -6.457 -2.532 170 H GLY 22 H GLY 22 -3.006 -9.154 -0.910 171 1HA GLY 22 1HA GLY 22 -3.871 -11.349 -2.516 172 2HA GLY 22 2HA GLY 22 -2.403 -10.628 -3.158 173 H ILE 23 H ILE 23 -1.084 -12.377 -2.741 174 HA ILE 23 HA ILE 23 -0.932 -13.461 -0.053 175 HB ILE 23 HB ILE 23 0.740 -14.121 -2.481 176 1HG1 ILE 23 1HG1 ILE 23 -1.635 -14.624 -2.847 177 2HG1 ILE 23 2HG1 ILE 23 -0.696 -16.104 -2.694 178 1HG2 ILE 23 1HG2 ILE 23 1.309 -16.168 -1.243 179 2HG2 ILE 23 2HG2 ILE 23 0.420 -15.556 0.152 180 3HG2 ILE 23 3HG2 ILE 23 1.860 -14.711 -0.416 181 1HD1 ILE 23 1HD1 ILE 23 -2.416 -14.867 -0.558 182 2HD1 ILE 23 2HD1 ILE 23 -1.459 -16.337 -0.381 183 3HD1 ILE 23 3HD1 ILE 23 -2.803 -16.292 -1.521 184 H ARG 24 H ARG 24 1.603 -12.331 -2.298 185 HA ARG 24 HA ARG 24 3.158 -11.416 0.002 186 1HB ARG 24 1HB ARG 24 5.015 -11.203 -1.613 187 2HB ARG 24 2HB ARG 24 4.336 -12.825 -1.581 188 1HG ARG 24 1HG ARG 24 3.114 -12.388 -3.624 189 2HG ARG 24 2HG ARG 24 3.700 -10.724 -3.642 190 1HD ARG 24 1HD ARG 24 5.414 -13.198 -3.825 191 2HD ARG 24 2HD ARG 24 4.968 -12.156 -5.174 192 HE ARG 24 HE ARG 24 6.215 -10.365 -3.963 193 1HH1 ARG 24 1HH1 ARG 24 6.938 -13.729 -3.399 194 2HH1 ARG 24 2HH1 ARG 24 8.574 -13.427 -2.914 195 1HH2 ARG 24 1HH2 ARG 24 8.367 -9.963 -3.327 196 2HH2 ARG 24 2HH2 ARG 24 9.384 -11.289 -2.870 197 H PHE 25 H PHE 25 0.801 -10.108 -1.676 198 HA PHE 25 HA PHE 25 2.067 -7.543 -2.260 199 1HB PHE 25 1HB PHE 25 -0.805 -8.405 -2.662 200 2HB PHE 25 2HB PHE 25 -0.069 -6.925 -3.267 201 HD1 PHE 25 1HD PHE 25 -0.236 -10.571 -3.641 202 HD2 PHE 25 2HD PHE 25 1.326 -6.936 -5.210 203 HE1 PHE 25 1HE PHE 25 0.404 -11.743 -5.708 204 HE2 PHE 25 2HE PHE 25 1.968 -8.101 -7.280 205 HZ PHE 25 HZ PHE 25 1.507 -10.508 -7.531 206 H LEU 26 H LEU 26 1.235 -5.565 -1.393 207 HA LEU 26 HA LEU 26 -0.291 -5.846 1.098 208 1HB LEU 26 1HB LEU 26 1.181 -4.539 2.354 209 2HB LEU 26 2HB LEU 26 2.226 -5.630 1.469 210 HG LEU 26 HG LEU 26 1.684 -2.776 0.645 211 1HD1 LEU 26 1HD1 LEU 26 2.834 -2.875 2.804 212 2HD1 LEU 26 2HD1 LEU 26 3.888 -2.265 1.529 213 3HD1 LEU 26 3HD1 LEU 26 4.062 -3.926 2.098 214 1HD2 LEU 26 1HD2 LEU 26 3.808 -3.189 -0.672 215 2HD2 LEU 26 2HD2 LEU 26 2.358 -4.009 -1.251 216 3HD2 LEU 26 3HD2 LEU 26 3.571 -4.904 -0.334 217 H TYR 27 H TYR 27 -1.138 -3.729 1.884 218 HA TYR 27 HA TYR 27 -2.210 -2.305 -0.422 219 1HB TYR 27 1HB TYR 27 -3.380 -3.253 1.891 220 2HB TYR 27 2HB TYR 27 -3.253 -1.523 2.188 221 HD1 TYR 27 1HD TYR 27 -4.094 -3.703 -0.721 222 HD2 TYR 27 2HD TYR 27 -5.165 -0.346 1.662 223 HE1 TYR 27 1HE TYR 27 -6.069 -3.331 -2.142 224 HE2 TYR 27 2HE TYR 27 -7.144 0.035 0.249 225 HH TYR 27 HH TYR 27 -7.873 -0.491 -2.079 226 H CYS 28 H CYS 28 -1.531 -0.389 -1.012 227 HA CYS 28 HA CYS 28 -0.097 1.271 0.953 228 1HB CYS 28 1HB CYS 28 1.540 0.513 -0.584 229 2HB CYS 28 2HB CYS 28 0.482 0.783 -1.964 230 H CYS 29 H CYS 29 -1.408 2.899 1.496 231 HA CYS 29 HA CYS 29 -3.182 4.051 -0.521 232 1HB CYS 29 1HB CYS 29 -3.042 4.430 2.474 233 2HB CYS 29 2HB CYS 29 -4.152 5.299 1.424 234 HA PRO 30 HA PRO 30 -0.279 7.438 -0.899 235 1HB PRO 30 1HB PRO 30 -1.526 8.804 -2.835 236 2HB PRO 30 2HB PRO 30 -0.740 7.254 -3.160 237 1HG PRO 30 1HG PRO 30 -3.639 7.863 -2.762 238 2HG PRO 30 2HG PRO 30 -2.873 6.764 -3.923 239 1HD PRO 30 1HD PRO 30 -4.030 5.974 -1.544 240 2HD PRO 30 2HD PRO 30 -2.794 5.050 -2.418 241 H ARG 31 H ARG 31 -1.980 7.586 1.331 242 HA ARG 31 HA ARG 31 -3.039 10.328 1.206 243 1HB ARG 31 1HB ARG 31 -3.620 8.136 3.207 244 2HB ARG 31 2HB ARG 31 -4.332 9.742 3.218 245 1HG ARG 31 1HG ARG 31 -5.376 9.285 1.047 246 2HG ARG 31 2HG ARG 31 -4.677 7.664 1.065 247 1HD ARG 31 1HD ARG 31 -6.964 7.539 1.797 248 2HD ARG 31 2HD ARG 31 -5.904 7.207 3.166 249 HE ARG 31 HE ARG 31 -6.650 9.961 3.012 250 1HH1 ARG 31 1HH1 ARG 31 -7.709 6.810 4.062 251 2HH1 ARG 31 2HH1 ARG 31 -8.791 7.434 5.262 252 1HH2 ARG 31 1HH2 ARG 31 -8.071 10.788 4.590 253 2HH2 ARG 31 2HH2 ARG 31 -8.998 9.693 5.561 254 H ARG 32 H ARG 32 -0.692 8.267 2.694 255 HA ARG 32 HA ARG 32 0.262 10.550 4.287 256 1HB ARG 32 1HB ARG 32 1.143 8.809 5.914 257 2HB ARG 32 2HB ARG 32 -0.597 9.056 5.902 258 1HG ARG 32 1HG ARG 32 -0.883 7.052 4.542 259 2HG ARG 32 2HG ARG 32 0.865 6.809 4.527 260 1HD ARG 32 1HD ARG 32 -0.864 6.854 6.997 261 2HD ARG 32 2HD ARG 32 -0.283 5.396 6.195 262 HE ARG 32 HE ARG 32 1.966 6.875 6.731 263 1HH1 ARG 32 1HH1 ARG 32 -0.645 5.526 8.601 264 2HH1 ARG 32 2HH1 ARG 32 0.320 5.294 10.021 265 1HH2 ARG 32 1HH2 ARG 32 3.245 6.573 8.595 266 2HH2 ARG 32 2HH2 ARG 32 2.530 5.890 10.017 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -10.050 13.270 -3.416 2 2H GLY 1 2H GLY 1 -8.445 13.014 -3.886 3 3H GLY 1 3H GLY 1 -8.946 12.599 -2.324 4 1HA GLY 1 1HA GLY 1 -10.419 10.900 -3.213 5 2HA GLY 1 2HA GLY 1 -9.895 11.330 -4.834 6 H LEU 2 H LEU 2 -9.005 9.784 -1.838 7 HA LEU 2 HA LEU 2 -6.338 9.141 -2.520 8 1HB LEU 2 1HB LEU 2 -6.353 7.663 -0.660 9 2HB LEU 2 2HB LEU 2 -7.301 9.069 -0.216 10 HG LEU 2 HG LEU 2 -8.531 6.478 -1.155 11 1HD1 LEU 2 1HD1 LEU 2 -7.282 6.055 0.882 12 2HD1 LEU 2 2HD1 LEU 2 -9.016 6.042 1.211 13 3HD1 LEU 2 3HD1 LEU 2 -8.044 7.444 1.660 14 1HD2 LEU 2 1HD2 LEU 2 -9.670 8.887 0.260 15 2HD2 LEU 2 2HD2 LEU 2 -10.550 7.400 -0.094 16 3HD2 LEU 2 3HD2 LEU 2 -9.968 8.416 -1.414 17 H LEU 3 H LEU 3 -5.442 7.382 -3.502 18 HA LEU 3 HA LEU 3 -7.263 5.348 -4.590 19 1HB LEU 3 1HB LEU 3 -5.051 6.706 -6.133 20 2HB LEU 3 2HB LEU 3 -6.068 5.407 -6.726 21 HG LEU 3 HG LEU 3 -7.077 8.147 -5.955 22 1HD1 LEU 3 1HD1 LEU 3 -5.621 8.263 -7.907 23 2HD1 LEU 3 2HD1 LEU 3 -7.305 8.534 -8.353 24 3HD1 LEU 3 3HD1 LEU 3 -6.547 6.977 -8.683 25 1HD2 LEU 3 1HD2 LEU 3 -8.416 5.834 -7.355 26 2HD2 LEU 3 2HD2 LEU 3 -9.119 7.434 -7.111 27 3HD2 LEU 3 3HD2 LEU 3 -8.760 6.406 -5.723 28 H CYS 4 H CYS 4 -6.639 3.523 -3.614 29 HA CYS 4 HA CYS 4 -3.899 3.094 -2.825 30 1HB CYS 4 1HB CYS 4 -6.148 1.089 -2.705 31 2HB CYS 4 2HB CYS 4 -4.688 1.137 -1.725 32 H TYR 5 H TYR 5 -2.560 1.389 -3.534 33 HA TYR 5 HA TYR 5 -3.331 0.096 -6.055 34 1HB TYR 5 1HB TYR 5 -0.738 1.549 -5.506 35 2HB TYR 5 2HB TYR 5 -0.995 0.485 -6.884 36 HD1 TYR 5 1HD TYR 5 -2.468 1.151 -8.713 37 HD2 TYR 5 2HD TYR 5 -1.751 3.745 -5.418 38 HE1 TYR 5 1HE TYR 5 -3.389 3.031 -10.001 39 HE2 TYR 5 2HE TYR 5 -2.672 5.633 -6.698 40 HH TYR 5 HH TYR 5 -3.027 6.264 -9.051 41 H CYS 6 H CYS 6 -2.323 -1.903 -6.472 42 HA CYS 6 HA CYS 6 -1.519 -3.312 -4.073 43 1HB CYS 6 1HB CYS 6 -1.914 -4.312 -6.901 44 2HB CYS 6 2HB CYS 6 -1.629 -5.327 -5.492 45 H ARG 7 H ARG 7 0.513 -3.540 -3.465 46 HA ARG 7 HA ARG 7 2.615 -3.737 -5.502 47 1HB ARG 7 1HB ARG 7 2.591 -1.888 -3.119 48 2HB ARG 7 2HB ARG 7 4.074 -2.342 -3.947 49 1HG ARG 7 1HG ARG 7 3.268 -1.348 -6.002 50 2HG ARG 7 2HG ARG 7 1.725 -0.964 -5.235 51 1HD ARG 7 1HD ARG 7 2.805 0.549 -3.707 52 2HD ARG 7 2HD ARG 7 4.395 0.077 -4.300 53 HE ARG 7 HE ARG 7 3.939 1.242 -6.326 54 1HH1 ARG 7 1HH1 ARG 7 1.530 1.683 -3.844 55 2HH1 ARG 7 2HH1 ARG 7 0.892 3.133 -4.543 56 1HH2 ARG 7 1HH2 ARG 7 3.102 3.152 -7.250 57 2HH2 ARG 7 2HH2 ARG 7 1.784 3.967 -6.477 58 H LYS 8 H LYS 8 3.932 -5.412 -5.159 59 HA LYS 8 HA LYS 8 3.648 -6.931 -2.697 60 1HB LYS 8 1HB LYS 8 3.563 -8.107 -4.851 61 2HB LYS 8 2HB LYS 8 5.189 -7.551 -5.223 62 1HG LYS 8 1HG LYS 8 6.108 -8.857 -3.433 63 2HG LYS 8 2HG LYS 8 4.495 -9.301 -2.873 64 1HD LYS 8 1HD LYS 8 5.464 -11.137 -4.114 65 2HD LYS 8 2HD LYS 8 4.104 -10.464 -5.016 66 1HE LYS 8 1HE LYS 8 5.999 -10.947 -6.482 67 2HE LYS 8 2HE LYS 8 5.646 -9.220 -6.434 68 1HZ LYS 8 1HZ LYS 8 7.460 -8.939 -4.853 69 2HZ LYS 8 2HZ LYS 8 8.015 -9.623 -6.296 70 3HZ LYS 8 3HZ LYS 8 7.805 -10.594 -4.927 71 H GLY 9 H GLY 9 5.140 -7.108 -1.131 72 1HA GLY 9 1HA GLY 9 7.334 -7.120 -0.249 73 2HA GLY 9 2HA GLY 9 7.873 -6.188 -1.636 74 H HIS 10 H HIS 10 7.618 -3.944 -1.645 75 HA HIS 10 HA HIS 10 6.544 -2.669 0.748 76 1HB HIS 10 1HB HIS 10 9.401 -2.902 0.112 77 2HB HIS 10 2HB HIS 10 8.874 -1.252 0.428 78 HD1 HIS 10 1HD HIS 10 9.272 -4.591 2.081 79 HD2 HIS 10 2HD HIS 10 8.193 -0.702 3.072 80 HE1 HIS 10 1HE HIS 10 9.249 -4.522 4.595 81 HE2 HIS 10 2HE HIS 10 8.675 -2.135 5.171 82 H CYS 11 H CYS 11 5.823 -0.589 0.423 83 HA CYS 11 HA CYS 11 5.822 0.312 -2.367 84 1HB CYS 11 1HB CYS 11 3.608 0.043 -1.428 85 2HB CYS 11 2HB CYS 11 4.029 1.049 -0.046 86 H LYS 12 H LYS 12 6.008 2.629 -2.791 87 HA LYS 12 HA LYS 12 7.800 3.951 -0.857 88 1HB LYS 12 1HB LYS 12 8.855 5.060 -2.789 89 2HB LYS 12 2HB LYS 12 8.992 3.307 -2.882 90 1HG LYS 12 1HG LYS 12 7.050 3.293 -4.425 91 2HG LYS 12 2HG LYS 12 7.079 5.059 -4.410 92 1HD LYS 12 1HD LYS 12 9.331 5.053 -5.323 93 2HD LYS 12 2HD LYS 12 9.371 3.291 -5.269 94 1HE LYS 12 1HE LYS 12 8.904 4.066 -7.524 95 2HE LYS 12 2HE LYS 12 7.513 3.207 -6.864 96 1HZ LYS 12 1HZ LYS 12 7.827 6.156 -7.030 97 2HZ LYS 12 2HZ LYS 12 6.506 5.356 -6.342 98 3HZ LYS 12 3HZ LYS 12 6.817 5.204 -7.997 99 H ARG 13 H ARG 13 4.862 4.104 -1.052 100 HA ARG 13 HA ARG 13 4.651 6.995 -1.095 101 1HB ARG 13 1HB ARG 13 4.074 5.772 -3.427 102 2HB ARG 13 2HB ARG 13 2.509 5.643 -2.636 103 1HG ARG 13 1HG ARG 13 2.514 7.619 -3.962 104 2HG ARG 13 2HG ARG 13 2.565 8.101 -2.265 105 1HD ARG 13 1HD ARG 13 4.944 8.505 -2.413 106 2HD ARG 13 2HD ARG 13 4.973 7.907 -4.071 107 HE ARG 13 HE ARG 13 3.226 9.921 -4.258 108 1HH1 ARG 13 1HH1 ARG 13 6.371 9.737 -2.770 109 2HH1 ARG 13 2HH1 ARG 13 6.733 11.410 -3.028 110 1HH2 ARG 13 1HH2 ARG 13 3.694 12.124 -4.604 111 2HH2 ARG 13 2HH2 ARG 13 5.211 12.768 -4.072 112 H GLY 14 H GLY 14 4.547 5.385 1.097 113 1HA GLY 14 1HA GLY 14 3.184 5.470 3.008 114 2HA GLY 14 2HA GLY 14 1.801 5.811 1.981 115 H GLU 15 H GLU 15 4.010 3.254 3.015 116 HA GLU 15 HA GLU 15 2.545 1.119 1.858 117 1HB GLU 15 1HB GLU 15 4.359 0.940 4.265 118 2HB GLU 15 2HB GLU 15 3.954 -0.342 3.132 119 1HG GLU 15 1HG GLU 15 6.080 0.256 2.480 120 2HG GLU 15 2HG GLU 15 5.071 1.179 1.368 121 H ARG 16 H ARG 16 1.198 -0.422 2.887 122 HA ARG 16 HA ARG 16 0.259 0.044 5.568 123 1HB ARG 16 1HB ARG 16 -0.977 1.665 3.950 124 2HB ARG 16 2HB ARG 16 -1.841 0.223 3.431 125 1HG ARG 16 1HG ARG 16 -3.190 1.231 5.068 126 2HG ARG 16 2HG ARG 16 -2.423 -0.148 5.860 127 1HD ARG 16 1HD ARG 16 -2.307 1.702 7.363 128 2HD ARG 16 2HD ARG 16 -0.685 1.422 6.732 129 HE ARG 16 HE ARG 16 -2.306 3.437 5.390 130 1HH1 ARG 16 1HH1 ARG 16 0.266 2.698 7.625 131 2HH1 ARG 16 2HH1 ARG 16 0.938 4.293 7.577 132 1HH2 ARG 16 1HH2 ARG 16 -1.429 5.539 5.326 133 2HH2 ARG 16 2HH2 ARG 16 -0.027 5.909 6.274 134 H VAL 17 H VAL 17 -1.216 -1.605 6.304 135 HA VAL 17 HA VAL 17 -1.433 -3.944 4.556 136 HB VAL 17 HB VAL 17 0.562 -4.189 6.010 137 1HG1 VAL 17 1HG1 VAL 17 -0.306 -2.930 7.942 138 2HG1 VAL 17 2HG1 VAL 17 0.345 -4.508 8.385 139 3HG1 VAL 17 3HG1 VAL 17 -1.400 -4.269 8.294 140 1HG2 VAL 17 1HG2 VAL 17 -1.666 -6.133 6.603 141 2HG2 VAL 17 2HG2 VAL 17 0.058 -6.449 6.785 142 3HG2 VAL 17 3HG2 VAL 17 -0.621 -6.157 5.184 143 H ARG 18 H ARG 18 -3.499 -2.227 4.979 144 HA ARG 18 HA ARG 18 -5.140 -3.231 7.157 145 1HB ARG 18 1HB ARG 18 -5.133 -0.813 6.543 146 2HB ARG 18 2HB ARG 18 -5.856 -1.239 4.997 147 1HG ARG 18 1HG ARG 18 -7.783 -2.209 6.226 148 2HG ARG 18 2HG ARG 18 -7.071 -1.611 7.726 149 1HD ARG 18 1HD ARG 18 -7.167 0.680 6.834 150 2HD ARG 18 2HD ARG 18 -7.922 0.063 5.365 151 HE ARG 18 HE ARG 18 -9.239 -0.454 7.924 152 1HH1 ARG 18 1HH1 ARG 18 -9.150 1.272 4.895 153 2HH1 ARG 18 2HH1 ARG 18 -10.800 1.792 4.999 154 1HH2 ARG 18 1HH2 ARG 18 -11.407 0.228 8.066 155 2HH2 ARG 18 2HH2 ARG 18 -12.081 1.199 6.800 156 H GLY 19 H GLY 19 -4.684 -3.738 3.778 157 1HA GLY 19 1HA GLY 19 -6.566 -5.930 3.817 158 2HA GLY 19 2HA GLY 19 -7.043 -4.599 2.772 159 H THR 20 H THR 20 -4.718 -7.149 3.306 160 HA THR 20 HA THR 20 -2.869 -6.738 1.323 161 HB THR 20 HB THR 20 -2.595 -8.586 2.818 162 HG1 THR 20 1HG THR 20 -1.806 -9.963 1.341 163 1HG2 THR 20 1HG2 THR 20 -5.070 -9.760 1.546 164 2HG2 THR 20 2HG2 THR 20 -4.933 -9.148 3.193 165 3HG2 THR 20 3HG2 THR 20 -4.033 -10.585 2.708 166 H CYS 21 H CYS 21 -2.755 -6.963 -0.847 167 HA CYS 21 HA CYS 21 -5.248 -7.144 -2.300 168 1HB CYS 21 1HB CYS 21 -3.489 -5.469 -2.867 169 2HB CYS 21 2HB CYS 21 -2.437 -6.790 -3.363 170 H GLY 22 H GLY 22 -3.311 -9.419 -1.054 171 1HA GLY 22 1HA GLY 22 -4.369 -11.518 -2.614 172 2HA GLY 22 2HA GLY 22 -2.721 -11.193 -3.132 173 H ILE 23 H ILE 23 -1.496 -12.772 -2.337 174 HA ILE 23 HA ILE 23 -2.002 -13.780 0.362 175 HB ILE 23 HB ILE 23 -0.057 -14.809 -1.707 176 1HG1 ILE 23 1HG1 ILE 23 -2.793 -15.876 -0.978 177 2HG1 ILE 23 2HG1 ILE 23 -2.449 -14.928 -2.420 178 1HG2 ILE 23 1HG2 ILE 23 -1.090 -16.051 0.840 179 2HG2 ILE 23 2HG2 ILE 23 0.534 -15.415 0.579 180 3HG2 ILE 23 3HG2 ILE 23 -0.014 -16.828 -0.323 181 1HD1 ILE 23 1HD1 ILE 23 -1.308 -17.631 -1.755 182 2HD1 ILE 23 2HD1 ILE 23 -0.913 -16.677 -3.184 183 3HD1 ILE 23 3HD1 ILE 23 -2.554 -17.280 -2.952 184 H ARG 24 H ARG 24 0.740 -12.621 -1.595 185 HA ARG 24 HA ARG 24 2.097 -11.867 0.909 186 1HB ARG 24 1HB ARG 24 4.217 -12.110 -0.293 187 2HB ARG 24 2HB ARG 24 3.297 -13.607 -0.332 188 1HG ARG 24 1HG ARG 24 2.544 -13.062 -2.609 189 2HG ARG 24 2HG ARG 24 3.528 -11.598 -2.563 190 1HD ARG 24 1HD ARG 24 4.702 -13.366 -3.739 191 2HD ARG 24 2HD ARG 24 5.535 -12.969 -2.237 192 HE ARG 24 HE ARG 24 3.852 -15.058 -1.625 193 1HH1 ARG 24 1HH1 ARG 24 6.488 -14.505 -3.836 194 2HH1 ARG 24 2HH1 ARG 24 7.004 -16.157 -3.837 195 1HH2 ARG 24 1HH2 ARG 24 4.526 -17.236 -1.619 196 2HH2 ARG 24 2HH2 ARG 24 5.890 -17.710 -2.578 197 H PHE 25 H PHE 25 0.245 -10.512 -1.269 198 HA PHE 25 HA PHE 25 1.909 -8.252 -2.014 199 1HB PHE 25 1HB PHE 25 -1.038 -8.741 -2.499 200 2HB PHE 25 2HB PHE 25 -0.070 -7.457 -3.217 201 HD1 PHE 25 1HD PHE 25 1.488 -7.918 -4.995 202 HD2 PHE 25 2HD PHE 25 -0.806 -11.038 -3.230 203 HE1 PHE 25 1HE PHE 25 2.070 -9.400 -6.870 204 HE2 PHE 25 2HE PHE 25 -0.227 -12.527 -5.102 205 HZ PHE 25 HZ PHE 25 1.214 -11.708 -6.925 206 H LEU 26 H LEU 26 1.566 -6.126 -1.359 207 HA LEU 26 HA LEU 26 0.055 -5.846 1.153 208 1HB LEU 26 1HB LEU 26 2.550 -4.488 0.164 209 2HB LEU 26 2HB LEU 26 1.597 -3.823 1.475 210 HG LEU 26 HG LEU 26 1.940 -6.000 2.702 211 1HD1 LEU 26 1HD1 LEU 26 3.848 -7.380 1.982 212 2HD1 LEU 26 2HD1 LEU 26 3.935 -6.448 0.488 213 3HD1 LEU 26 3HD1 LEU 26 2.510 -7.426 0.834 214 1HD2 LEU 26 1HD2 LEU 26 4.376 -4.373 1.988 215 2HD2 LEU 26 2HD2 LEU 26 4.228 -5.435 3.388 216 3HD2 LEU 26 3HD2 LEU 26 3.206 -4.004 3.253 217 H TYR 27 H TYR 27 -0.658 -3.522 1.564 218 HA TYR 27 HA TYR 27 -1.789 -2.451 -0.931 219 1HB TYR 27 1HB TYR 27 -3.120 -3.384 1.320 220 2HB TYR 27 2HB TYR 27 -3.162 -1.633 1.499 221 HD1 TYR 27 1HD TYR 27 -3.559 -4.094 -1.285 222 HD2 TYR 27 2HD TYR 27 -5.075 -0.636 0.677 223 HE1 TYR 27 1HE TYR 27 -5.411 -3.994 -2.903 224 HE2 TYR 27 2HE TYR 27 -6.931 -0.528 -0.933 225 HH TYR 27 HH TYR 27 -7.457 -1.285 -3.190 226 H CYS 28 H CYS 28 -1.304 -0.442 -1.477 227 HA CYS 28 HA CYS 28 -0.071 1.304 0.554 228 1HB CYS 28 1HB CYS 28 1.466 0.451 -1.255 229 2HB CYS 28 2HB CYS 28 0.488 1.340 -2.416 230 H CYS 29 H CYS 29 -0.959 3.289 0.835 231 HA CYS 29 HA CYS 29 -2.573 4.481 -1.250 232 1HB CYS 29 1HB CYS 29 -3.899 2.827 0.445 233 2HB CYS 29 2HB CYS 29 -4.034 4.353 1.312 234 HA PRO 30 HA PRO 30 -0.938 8.030 0.901 235 1HB PRO 30 1HB PRO 30 -1.836 9.947 -0.727 236 2HB PRO 30 2HB PRO 30 -0.605 8.798 -1.263 237 1HG PRO 30 1HG PRO 30 -3.528 8.863 -1.865 238 2HG PRO 30 2HG PRO 30 -2.174 8.437 -2.924 239 1HD PRO 30 1HD PRO 30 -3.818 6.625 -1.596 240 2HD PRO 30 2HD PRO 30 -2.216 6.261 -2.264 241 H ARG 31 H ARG 31 -1.799 8.623 2.806 242 HA ARG 31 HA ARG 31 -4.621 9.433 2.897 243 1HB ARG 31 1HB ARG 31 -4.494 9.056 5.305 244 2HB ARG 31 2HB ARG 31 -3.981 7.623 4.425 245 1HG ARG 31 1HG ARG 31 -1.652 8.171 4.846 246 2HG ARG 31 2HG ARG 31 -2.139 9.646 5.684 247 1HD ARG 31 1HD ARG 31 -3.351 8.280 7.334 248 2HD ARG 31 2HD ARG 31 -2.804 6.822 6.510 249 HE ARG 31 HE ARG 31 -0.598 8.447 7.227 250 1HH1 ARG 31 1HH1 ARG 31 -2.972 6.286 8.587 251 2HH1 ARG 31 2HH1 ARG 31 -1.960 5.800 9.906 252 1HH2 ARG 31 1HH2 ARG 31 0.737 7.814 8.959 253 2HH2 ARG 31 2HH2 ARG 31 0.148 6.670 10.118 254 H ARG 32 H ARG 32 -2.051 10.986 2.148 255 HA ARG 32 HA ARG 32 -2.889 13.459 3.330 256 1HB ARG 32 1HB ARG 32 -1.510 12.561 5.155 257 2HB ARG 32 2HB ARG 32 -0.160 12.367 4.046 258 1HG ARG 32 1HG ARG 32 -0.054 14.776 3.728 259 2HG ARG 32 2HG ARG 32 -1.438 14.986 4.804 260 1HD ARG 32 1HD ARG 32 -0.176 14.059 6.654 261 2HD ARG 32 2HD ARG 32 1.191 13.735 5.590 262 HE ARG 32 HE ARG 32 0.349 16.504 5.757 263 1HH1 ARG 32 1HH1 ARG 32 2.488 14.012 6.917 264 2HH1 ARG 32 2HH1 ARG 32 3.663 15.126 7.531 265 1HH2 ARG 32 1HH2 ARG 32 1.892 17.981 6.564 266 2HH2 ARG 32 2HH2 ARG 32 3.326 17.381 7.328 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -10.562 11.804 -4.918 2 2H GLY 1 2H GLY 1 -9.856 11.404 -3.434 3 3H GLY 1 3H GLY 1 -10.173 10.194 -4.572 4 1HA GLY 1 1HA GLY 1 -8.560 11.143 -6.092 5 2HA GLY 1 2HA GLY 1 -8.241 12.420 -4.928 6 H LEU 2 H LEU 2 -8.687 10.122 -2.848 7 HA LEU 2 HA LEU 2 -5.873 9.286 -2.881 8 1HB LEU 2 1HB LEU 2 -7.857 9.212 -0.605 9 2HB LEU 2 2HB LEU 2 -6.145 8.845 -0.499 10 HG LEU 2 HG LEU 2 -7.293 11.553 -1.192 11 1HD1 LEU 2 1HD1 LEU 2 -6.029 10.577 1.366 12 2HD1 LEU 2 2HD1 LEU 2 -7.744 10.914 1.128 13 3HD1 LEU 2 3HD1 LEU 2 -6.566 12.223 1.029 14 1HD2 LEU 2 1HD2 LEU 2 -5.108 11.174 -2.201 15 2HD2 LEU 2 2HD2 LEU 2 -4.458 10.677 -0.639 16 3HD2 LEU 2 3HD2 LEU 2 -4.993 12.340 -0.883 17 H LEU 3 H LEU 3 -6.470 7.677 -4.541 18 HA LEU 3 HA LEU 3 -8.023 5.399 -3.601 19 1HB LEU 3 1HB LEU 3 -6.642 5.894 -6.241 20 2HB LEU 3 2HB LEU 3 -7.667 4.518 -5.879 21 HG LEU 3 HG LEU 3 -8.619 7.382 -5.842 22 1HD1 LEU 3 1HD1 LEU 3 -9.678 6.897 -7.978 23 2HD1 LEU 3 2HD1 LEU 3 -8.946 5.293 -7.990 24 3HD1 LEU 3 3HD1 LEU 3 -7.927 6.727 -8.093 25 1HD2 LEU 3 1HD2 LEU 3 -10.836 6.400 -5.813 26 2HD2 LEU 3 2HD2 LEU 3 -9.899 5.821 -4.436 27 3HD2 LEU 3 3HD2 LEU 3 -10.143 4.779 -5.838 28 H CYS 4 H CYS 4 -7.201 3.322 -3.331 29 HA CYS 4 HA CYS 4 -4.352 3.233 -2.710 30 1HB CYS 4 1HB CYS 4 -6.431 1.105 -2.188 31 2HB CYS 4 2HB CYS 4 -4.833 1.236 -1.463 32 H TYR 5 H TYR 5 -3.159 1.195 -3.256 33 HA TYR 5 HA TYR 5 -4.041 -0.089 -5.726 34 1HB TYR 5 1HB TYR 5 -1.377 1.316 -5.435 35 2HB TYR 5 2HB TYR 5 -1.842 0.297 -6.793 36 HD1 TYR 5 1HD TYR 5 -2.142 3.572 -5.257 37 HD2 TYR 5 2HD TYR 5 -3.608 1.052 -8.355 38 HE1 TYR 5 1HE TYR 5 -3.114 5.531 -6.382 39 HE2 TYR 5 2HE TYR 5 -4.583 3.004 -9.489 40 HH TYR 5 HH TYR 5 -5.328 5.259 -8.962 41 H CYS 6 H CYS 6 -3.035 -2.085 -6.160 42 HA CYS 6 HA CYS 6 -2.072 -3.442 -3.792 43 1HB CYS 6 1HB CYS 6 -3.687 -4.621 -5.122 44 2HB CYS 6 2HB CYS 6 -2.732 -4.394 -6.584 45 H ARG 7 H ARG 7 0.018 -3.085 -3.305 46 HA ARG 7 HA ARG 7 1.996 -2.972 -5.454 47 1HB ARG 7 1HB ARG 7 2.229 -2.388 -2.498 48 2HB ARG 7 2HB ARG 7 3.558 -2.267 -3.640 49 1HG ARG 7 1HG ARG 7 1.005 -0.695 -3.881 50 2HG ARG 7 2HG ARG 7 2.455 -0.105 -3.065 51 1HD ARG 7 1HD ARG 7 3.703 -0.523 -5.203 52 2HD ARG 7 2HD ARG 7 2.148 -0.842 -5.968 53 HE ARG 7 HE ARG 7 1.678 1.553 -4.981 54 1HH1 ARG 7 1HH1 ARG 7 4.537 0.358 -6.567 55 2HH1 ARG 7 2HH1 ARG 7 4.978 1.902 -7.219 56 1HH2 ARG 7 1HH2 ARG 7 2.250 3.591 -5.831 57 2HH2 ARG 7 2HH2 ARG 7 3.678 3.740 -6.800 58 H LYS 8 H LYS 8 4.127 -4.074 -5.008 59 HA LYS 8 HA LYS 8 3.752 -6.666 -3.672 60 1HB LYS 8 1HB LYS 8 3.426 -7.005 -6.070 61 2HB LYS 8 2HB LYS 8 4.965 -6.227 -6.407 62 1HG LYS 8 1HG LYS 8 6.051 -8.052 -5.047 63 2HG LYS 8 2HG LYS 8 4.486 -8.871 -5.061 64 1HD LYS 8 1HD LYS 8 4.513 -8.917 -7.494 65 2HD LYS 8 2HD LYS 8 6.043 -8.040 -7.511 66 1HE LYS 8 1HE LYS 8 6.471 -10.383 -7.863 67 2HE LYS 8 2HE LYS 8 7.086 -9.914 -6.279 68 1HZ LYS 8 1HZ LYS 8 5.916 -12.017 -6.176 69 2HZ LYS 8 2HZ LYS 8 4.513 -11.304 -6.795 70 3HZ LYS 8 3HZ LYS 8 5.093 -10.846 -5.274 71 H GLY 9 H GLY 9 5.046 -6.145 -1.935 72 1HA GLY 9 1HA GLY 9 7.316 -6.634 -1.187 73 2HA GLY 9 2HA GLY 9 7.898 -5.746 -2.586 74 H HIS 10 H HIS 10 7.547 -3.417 -2.625 75 HA HIS 10 HA HIS 10 7.017 -2.195 -0.021 76 1HB HIS 10 1HB HIS 10 9.534 -2.701 -0.436 77 2HB HIS 10 2HB HIS 10 9.453 -1.355 -1.566 78 HD1 HIS 10 1HD HIS 10 9.473 -2.164 2.060 79 HD2 HIS 10 2HD HIS 10 9.104 1.182 -0.374 80 HE1 HIS 10 1HE HIS 10 9.759 -0.187 3.588 81 HE2 HIS 10 2HE HIS 10 9.491 1.829 2.099 82 H CYS 11 H CYS 11 5.961 -0.292 -0.165 83 HA CYS 11 HA CYS 11 5.454 0.756 -2.858 84 1HB CYS 11 1HB CYS 11 3.506 0.113 -1.444 85 2HB CYS 11 2HB CYS 11 3.978 1.350 -0.286 86 H LYS 12 H LYS 12 5.031 3.206 -2.876 87 HA LYS 12 HA LYS 12 7.440 4.516 -2.214 88 1HB LYS 12 1HB LYS 12 5.817 6.596 -2.737 89 2HB LYS 12 2HB LYS 12 6.552 5.605 -3.986 90 1HG LYS 12 1HG LYS 12 4.487 4.239 -4.057 91 2HG LYS 12 2HG LYS 12 3.755 5.346 -2.897 92 1HD LYS 12 1HD LYS 12 4.848 6.174 -5.582 93 2HD LYS 12 2HD LYS 12 3.149 5.813 -5.269 94 1HE LYS 12 1HE LYS 12 3.097 7.604 -3.587 95 2HE LYS 12 2HE LYS 12 4.784 7.974 -3.941 96 1HZ LYS 12 1HZ LYS 12 3.300 9.474 -5.103 97 2HZ LYS 12 2HZ LYS 12 2.525 8.175 -5.860 98 3HZ LYS 12 3HZ LYS 12 4.144 8.515 -6.212 99 H ARG 13 H ARG 13 4.367 5.966 -1.245 100 HA ARG 13 HA ARG 13 5.320 6.007 1.530 101 1HB ARG 13 1HB ARG 13 4.022 8.420 0.293 102 2HB ARG 13 2HB ARG 13 4.926 8.308 1.794 103 1HG ARG 13 1HG ARG 13 6.584 9.211 0.601 104 2HG ARG 13 2HG ARG 13 6.817 7.567 0.003 105 1HD ARG 13 1HD ARG 13 5.399 8.048 -1.916 106 2HD ARG 13 2HD ARG 13 5.105 9.676 -1.308 107 HE ARG 13 HE ARG 13 7.885 9.185 -1.626 108 1HH1 ARG 13 1HH1 ARG 13 4.978 9.904 -3.410 109 2HH1 ARG 13 2HH1 ARG 13 5.816 10.685 -4.709 110 1HH2 ARG 13 1HH2 ARG 13 8.995 10.213 -3.332 111 2HH2 ARG 13 2HH2 ARG 13 8.099 10.862 -4.666 112 H GLY 14 H GLY 14 3.828 4.585 2.315 113 1HA GLY 14 1HA GLY 14 1.555 5.077 3.440 114 2HA GLY 14 2HA GLY 14 0.989 5.150 1.780 115 H GLU 15 H GLU 15 3.195 2.937 3.493 116 HA GLU 15 HA GLU 15 1.920 0.668 2.224 117 1HB GLU 15 1HB GLU 15 4.274 0.938 4.091 118 2HB GLU 15 2HB GLU 15 3.657 -0.621 3.563 119 1HG GLU 15 1HG GLU 15 4.237 -0.220 1.332 120 2HG GLU 15 2HG GLU 15 4.501 1.500 1.618 121 H ARG 16 H ARG 16 0.244 -0.376 3.064 122 HA ARG 16 HA ARG 16 0.030 -0.690 5.957 123 1HB ARG 16 1HB ARG 16 -2.186 0.455 4.248 124 2HB ARG 16 2HB ARG 16 -2.368 -0.051 5.922 125 1HG ARG 16 1HG ARG 16 -0.664 1.636 6.560 126 2HG ARG 16 2HG ARG 16 -0.654 2.195 4.887 127 1HD ARG 16 1HD ARG 16 -3.024 2.176 6.752 128 2HD ARG 16 2HD ARG 16 -2.100 3.593 6.257 129 HE ARG 16 HE ARG 16 -2.992 2.421 3.927 130 1HH1 ARG 16 1HH1 ARG 16 -4.435 3.775 6.798 131 2HH1 ARG 16 2HH1 ARG 16 -5.875 4.293 5.985 132 1HH2 ARG 16 1HH2 ARG 16 -4.884 3.098 2.851 133 2HH2 ARG 16 2HH2 ARG 16 -6.129 3.908 3.742 134 H VAL 17 H VAL 17 -1.922 -2.149 6.475 135 HA VAL 17 HA VAL 17 -2.287 -4.154 4.367 136 HB VAL 17 HB VAL 17 -0.515 -4.876 5.980 137 1HG1 VAL 17 1HG1 VAL 17 -2.792 -5.000 7.951 138 2HG1 VAL 17 2HG1 VAL 17 -1.452 -3.854 7.995 139 3HG1 VAL 17 3HG1 VAL 17 -1.147 -5.577 8.218 140 1HG2 VAL 17 1HG2 VAL 17 -1.352 -7.140 6.247 141 2HG2 VAL 17 2HG2 VAL 17 -1.819 -6.493 4.675 142 3HG2 VAL 17 3HG2 VAL 17 -3.003 -6.582 5.979 143 H ARG 18 H ARG 18 -4.056 -2.115 5.076 144 HA ARG 18 HA ARG 18 -6.062 -2.959 6.891 145 1HB ARG 18 1HB ARG 18 -5.842 -0.620 6.165 146 2HB ARG 18 2HB ARG 18 -6.264 -1.083 4.523 147 1HG ARG 18 1HG ARG 18 -8.180 -0.103 5.562 148 2HG ARG 18 2HG ARG 18 -8.477 -1.830 5.355 149 1HD ARG 18 1HD ARG 18 -7.897 -2.217 7.693 150 2HD ARG 18 2HD ARG 18 -7.568 -0.497 7.903 151 HE ARG 18 HE ARG 18 -10.200 -0.891 6.941 152 1HH1 ARG 18 1HH1 ARG 18 -8.260 -1.201 9.820 153 2HH1 ARG 18 2HH1 ARG 18 -9.596 -0.987 10.899 154 1HH2 ARG 18 1HH2 ARG 18 -11.966 -0.609 8.357 155 2HH2 ARG 18 2HH2 ARG 18 -11.703 -0.653 10.068 156 H GLY 19 H GLY 19 -5.395 -3.586 3.542 157 1HA GLY 19 1HA GLY 19 -7.444 -5.669 3.530 158 2HA GLY 19 2HA GLY 19 -7.551 -4.428 2.287 159 H THR 20 H THR 20 -5.432 -6.912 3.639 160 HA THR 20 HA THR 20 -3.309 -6.934 1.971 161 HB THR 20 HB THR 20 -3.501 -8.555 3.750 162 HG1 THR 20 1HG THR 20 -3.406 -10.090 1.370 163 1HG2 THR 20 1HG2 THR 20 -5.617 -9.888 2.058 164 2HG2 THR 20 2HG2 THR 20 -5.891 -9.039 3.578 165 3HG2 THR 20 3HG2 THR 20 -4.945 -10.526 3.558 166 H CYS 21 H CYS 21 -2.831 -7.370 -0.084 167 HA CYS 21 HA CYS 21 -5.028 -7.803 -1.937 168 1HB CYS 21 1HB CYS 21 -3.455 -6.014 -2.427 169 2HB CYS 21 2HB CYS 21 -2.110 -7.146 -2.388 170 H GLY 22 H GLY 22 -2.595 -9.618 -0.399 171 1HA GLY 22 1HA GLY 22 -3.427 -12.062 -1.500 172 2HA GLY 22 2HA GLY 22 -1.986 -11.539 -2.359 173 H ILE 23 H ILE 23 -0.590 -13.084 -1.624 174 HA ILE 23 HA ILE 23 -0.286 -13.438 1.265 175 HB ILE 23 HB ILE 23 1.163 -14.925 -0.926 176 1HG1 ILE 23 1HG1 ILE 23 -1.241 -15.255 -1.208 177 2HG1 ILE 23 2HG1 ILE 23 -0.492 -16.726 -0.598 178 1HG2 ILE 23 1HG2 ILE 23 1.505 -16.614 0.830 179 2HG2 ILE 23 2HG2 ILE 23 0.713 -15.547 1.989 180 3HG2 ILE 23 3HG2 ILE 23 2.234 -15.061 1.240 181 1HD1 ILE 23 1HD1 ILE 23 -2.609 -16.316 0.496 182 2HD1 ILE 23 2HD1 ILE 23 -2.053 -14.727 1.023 183 3HD1 ILE 23 3HD1 ILE 23 -1.283 -16.184 1.652 184 H ARG 24 H ARG 24 1.581 -12.536 -1.601 185 HA ARG 24 HA ARG 24 3.733 -11.548 0.141 186 1HB ARG 24 1HB ARG 24 5.128 -11.562 -1.901 187 2HB ARG 24 2HB ARG 24 4.482 -13.152 -1.519 188 1HG ARG 24 1HG ARG 24 2.634 -12.626 -3.187 189 2HG ARG 24 2HG ARG 24 3.643 -11.272 -3.701 190 1HD ARG 24 1HD ARG 24 5.450 -12.785 -4.250 191 2HD ARG 24 2HD ARG 24 4.524 -14.156 -3.640 192 HE ARG 24 HE ARG 24 3.130 -12.764 -5.700 193 1HH1 ARG 24 1HH1 ARG 24 5.673 -15.075 -5.117 194 2HH1 ARG 24 2HH1 ARG 24 5.498 -15.848 -6.657 195 1HH2 ARG 24 1HH2 ARG 24 2.895 -13.777 -7.729 196 2HH2 ARG 24 2HH2 ARG 24 3.921 -15.109 -8.142 197 H PHE 25 H PHE 25 1.026 -10.449 -1.272 198 HA PHE 25 HA PHE 25 2.150 -7.903 -2.182 199 1HB PHE 25 1HB PHE 25 -0.700 -8.904 -2.347 200 2HB PHE 25 2HB PHE 25 -0.063 -7.450 -3.104 201 HD1 PHE 25 1HD PHE 25 1.403 -7.597 -5.046 202 HD2 PHE 25 2HD PHE 25 -0.282 -11.077 -3.268 203 HE1 PHE 25 1HE PHE 25 1.966 -8.893 -7.060 204 HE2 PHE 25 2HE PHE 25 0.279 -12.380 -5.279 205 HZ PHE 25 HZ PHE 25 1.404 -11.288 -7.178 206 H LEU 26 H LEU 26 0.591 -5.983 -1.640 207 HA LEU 26 HA LEU 26 -0.595 -6.087 0.988 208 1HB LEU 26 1HB LEU 26 0.816 -4.441 2.023 209 2HB LEU 26 2HB LEU 26 1.804 -5.789 1.497 210 HG LEU 26 HG LEU 26 1.545 -3.240 -0.090 211 1HD1 LEU 26 1HD1 LEU 26 3.660 -3.981 1.926 212 2HD1 LEU 26 2HD1 LEU 26 2.444 -2.718 2.118 213 3HD1 LEU 26 3HD1 LEU 26 3.682 -2.567 0.871 214 1HD2 LEU 26 1HD2 LEU 26 3.516 -5.521 -0.143 215 2HD2 LEU 26 2HD2 LEU 26 3.671 -4.033 -1.076 216 3HD2 LEU 26 3HD2 LEU 26 2.322 -5.127 -1.378 217 H TYR 27 H TYR 27 -1.315 -3.774 1.635 218 HA TYR 27 HA TYR 27 -2.397 -2.537 -0.803 219 1HB TYR 27 1HB TYR 27 -3.700 -3.478 1.458 220 2HB TYR 27 2HB TYR 27 -3.670 -1.734 1.687 221 HD1 TYR 27 1HD TYR 27 -4.211 -4.063 -1.187 222 HD2 TYR 27 2HD TYR 27 -5.595 -0.675 0.983 223 HE1 TYR 27 1HE TYR 27 -6.099 -3.843 -2.745 224 HE2 TYR 27 2HE TYR 27 -7.487 -0.447 -0.569 225 HH TYR 27 HH TYR 27 -8.093 -1.083 -2.843 226 H CYS 28 H CYS 28 -1.809 -0.557 -1.335 227 HA CYS 28 HA CYS 28 -0.533 1.125 0.721 228 1HB CYS 28 1HB CYS 28 1.132 0.256 -0.854 229 2HB CYS 28 2HB CYS 28 0.205 0.897 -2.205 230 H CYS 29 H CYS 29 -1.156 3.224 0.844 231 HA CYS 29 HA CYS 29 -2.797 4.362 -1.280 232 1HB CYS 29 1HB CYS 29 -4.001 3.213 0.935 233 2HB CYS 29 2HB CYS 29 -3.943 4.925 1.346 234 HA PRO 30 HA PRO 30 -0.426 7.969 -0.301 235 1HB PRO 30 1HB PRO 30 -2.165 9.915 -1.122 236 2HB PRO 30 2HB PRO 30 -1.174 8.955 -2.226 237 1HG PRO 30 1HG PRO 30 -4.047 8.601 -1.463 238 2HG PRO 30 2HG PRO 30 -3.289 8.471 -3.060 239 1HD PRO 30 1HD PRO 30 -3.923 6.296 -1.613 240 2HD PRO 30 2HD PRO 30 -2.477 6.344 -2.642 241 H ARG 31 H ARG 31 -0.408 7.831 1.960 242 HA ARG 31 HA ARG 31 -2.602 8.680 3.574 243 1HB ARG 31 1HB ARG 31 -0.969 8.557 5.434 244 2HB ARG 31 2HB ARG 31 -0.997 7.097 4.455 245 1HG ARG 31 1HG ARG 31 1.011 7.913 3.260 246 2HG ARG 31 2HG ARG 31 1.060 9.294 4.357 247 1HD ARG 31 1HD ARG 31 1.254 6.389 5.150 248 2HD ARG 31 2HD ARG 31 2.597 7.529 5.067 249 HE ARG 31 HE ARG 31 0.553 8.492 6.782 250 1HH1 ARG 31 1HH1 ARG 31 3.153 6.179 6.611 251 2HH1 ARG 31 2HH1 ARG 31 3.424 6.164 8.322 252 1HH2 ARG 31 1HH2 ARG 31 0.902 8.480 9.035 253 2HH2 ARG 31 2HH2 ARG 31 2.144 7.472 9.700 254 H ARG 32 H ARG 32 -0.037 10.289 1.953 255 HA ARG 32 HA ARG 32 -0.023 12.635 3.610 256 1HB ARG 32 1HB ARG 32 1.088 12.175 0.835 257 2HB ARG 32 2HB ARG 32 1.392 13.598 1.822 258 1HG ARG 32 1HG ARG 32 2.147 10.792 2.608 259 2HG ARG 32 2HG ARG 32 3.236 11.948 1.839 260 1HD ARG 32 1HD ARG 32 2.910 13.485 3.730 261 2HD ARG 32 2HD ARG 32 1.857 12.299 4.499 262 HE ARG 32 HE ARG 32 4.406 11.190 3.897 263 1HH1 ARG 32 1HH1 ARG 32 2.734 13.258 6.148 264 2HH1 ARG 32 2HH1 ARG 32 3.829 12.940 7.453 265 1HH2 ARG 32 1HH2 ARG 32 5.853 10.767 5.610 266 2HH2 ARG 32 2HH2 ARG 32 5.600 11.525 7.146 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -4.460 11.610 -2.417 2 2H GLY 1 2H GLY 1 -2.918 12.150 -2.857 3 3H GLY 1 3H GLY 1 -3.357 10.539 -3.127 4 1HA GLY 1 1HA GLY 1 -4.477 12.935 -4.475 5 2HA GLY 1 2HA GLY 1 -3.434 11.720 -5.200 6 H LEU 2 H LEU 2 -4.293 9.476 -5.240 7 HA LEU 2 HA LEU 2 -7.195 9.535 -5.732 8 1HB LEU 2 1HB LEU 2 -5.012 7.859 -6.960 9 2HB LEU 2 2HB LEU 2 -6.716 7.516 -7.180 10 HG LEU 2 HG LEU 2 -6.939 9.852 -8.148 11 1HD1 LEU 2 1HD1 LEU 2 -3.932 9.637 -8.205 12 2HD1 LEU 2 2HD1 LEU 2 -4.880 10.804 -7.284 13 3HD1 LEU 2 3HD1 LEU 2 -4.891 10.856 -9.045 14 1HD2 LEU 2 1HD2 LEU 2 -5.176 7.875 -9.589 15 2HD2 LEU 2 2HD2 LEU 2 -6.119 9.162 -10.339 16 3HD2 LEU 2 3HD2 LEU 2 -6.938 7.831 -9.520 17 H LEU 3 H LEU 3 -7.691 6.832 -5.884 18 HA LEU 3 HA LEU 3 -7.993 6.145 -3.157 19 1HB LEU 3 1HB LEU 3 -8.310 4.434 -5.626 20 2HB LEU 3 2HB LEU 3 -8.865 3.999 -4.021 21 HG LEU 3 HG LEU 3 -9.866 6.379 -5.586 22 1HD1 LEU 3 1HD1 LEU 3 -11.904 5.065 -5.904 23 2HD1 LEU 3 2HD1 LEU 3 -11.131 3.681 -5.132 24 3HD1 LEU 3 3HD1 LEU 3 -10.511 4.297 -6.664 25 1HD2 LEU 3 1HD2 LEU 3 -11.629 6.430 -3.883 26 2HD2 LEU 3 2HD2 LEU 3 -10.032 6.678 -3.178 27 3HD2 LEU 3 3HD2 LEU 3 -10.830 5.114 -3.023 28 H CYS 4 H CYS 4 -7.425 3.632 -2.662 29 HA CYS 4 HA CYS 4 -4.618 3.612 -2.253 30 1HB CYS 4 1HB CYS 4 -6.473 1.248 -1.970 31 2HB CYS 4 2HB CYS 4 -4.958 1.535 -1.123 32 H TYR 5 H TYR 5 -3.458 1.360 -2.753 33 HA TYR 5 HA TYR 5 -4.038 0.467 -5.468 34 1HB TYR 5 1HB TYR 5 -1.401 1.697 -4.652 35 2HB TYR 5 2HB TYR 5 -1.656 0.798 -6.144 36 HD1 TYR 5 1HD TYR 5 -1.731 3.996 -4.625 37 HD2 TYR 5 2HD TYR 5 -3.536 1.684 -7.706 38 HE1 TYR 5 1HE TYR 5 -2.468 6.064 -5.737 39 HE2 TYR 5 2HE TYR 5 -4.278 3.744 -8.827 40 HH TYR 5 HH TYR 5 -3.105 6.811 -8.001 41 H CYS 6 H CYS 6 -3.226 -1.553 -5.982 42 HA CYS 6 HA CYS 6 -2.319 -3.137 -3.691 43 1HB CYS 6 1HB CYS 6 -4.242 -4.067 -4.769 44 2HB CYS 6 2HB CYS 6 -3.518 -3.884 -6.362 45 H ARG 7 H ARG 7 -0.165 -3.154 -3.495 46 HA ARG 7 HA ARG 7 1.439 -3.535 -5.939 47 1HB ARG 7 1HB ARG 7 2.043 -2.035 -3.401 48 2HB ARG 7 2HB ARG 7 3.317 -2.539 -4.503 49 1HG ARG 7 1HG ARG 7 2.362 -1.222 -6.282 50 2HG ARG 7 2HG ARG 7 0.984 -0.795 -5.265 51 1HD ARG 7 1HD ARG 7 2.391 0.444 -3.774 52 2HD ARG 7 2HD ARG 7 3.843 -0.123 -4.595 53 HE ARG 7 HE ARG 7 3.341 1.306 -6.410 54 1HH1 ARG 7 1HH1 ARG 7 1.106 1.627 -3.752 55 2HH1 ARG 7 2HH1 ARG 7 0.522 3.174 -4.264 56 1HH2 ARG 7 1HH2 ARG 7 2.577 3.342 -7.087 57 2HH2 ARG 7 2HH2 ARG 7 1.357 4.149 -6.160 58 H LYS 8 H LYS 8 3.790 -4.343 -5.072 59 HA LYS 8 HA LYS 8 3.337 -6.626 -3.281 60 1HB LYS 8 1HB LYS 8 3.144 -7.412 -5.611 61 2HB LYS 8 2HB LYS 8 4.744 -6.770 -5.953 62 1HG LYS 8 1HG LYS 8 5.726 -8.327 -4.360 63 2HG LYS 8 2HG LYS 8 4.122 -8.957 -3.979 64 1HD LYS 8 1HD LYS 8 5.164 -10.459 -5.526 65 2HD LYS 8 2HD LYS 8 3.882 -9.597 -6.379 66 1HE LYS 8 1HE LYS 8 5.853 -9.724 -7.774 67 2HE LYS 8 2HE LYS 8 5.568 -8.051 -7.296 68 1HZ LYS 8 1HZ LYS 8 7.910 -8.676 -7.130 69 2HZ LYS 8 2HZ LYS 8 7.520 -9.882 -6.011 70 3HZ LYS 8 3HZ LYS 8 7.274 -8.256 -5.620 71 H GLY 9 H GLY 9 4.848 -6.794 -1.759 72 1HA GLY 9 1HA GLY 9 7.083 -6.894 -0.977 73 2HA GLY 9 2HA GLY 9 7.573 -5.876 -2.323 74 H HIS 10 H HIS 10 7.538 -3.670 -2.112 75 HA HIS 10 HA HIS 10 6.516 -2.533 0.387 76 1HB HIS 10 1HB HIS 10 9.020 -3.129 0.513 77 2HB HIS 10 2HB HIS 10 9.260 -1.801 -0.617 78 HD1 HIS 10 1HD HIS 10 8.414 -2.540 2.936 79 HD2 HIS 10 2HD HIS 10 8.882 0.772 0.468 80 HE1 HIS 10 1HE HIS 10 8.515 -0.559 4.481 81 HE2 HIS 10 2HE HIS 10 8.758 1.439 2.964 82 H CYS 11 H CYS 11 5.449 -0.678 0.050 83 HA CYS 11 HA CYS 11 5.339 0.415 -2.616 84 1HB CYS 11 1HB CYS 11 3.313 0.184 -1.196 85 2HB CYS 11 2HB CYS 11 3.974 1.392 -0.100 86 H LYS 12 H LYS 12 5.497 2.766 -2.993 87 HA LYS 12 HA LYS 12 7.998 3.749 -1.961 88 1HB LYS 12 1HB LYS 12 7.712 5.562 -3.578 89 2HB LYS 12 2HB LYS 12 7.465 3.994 -4.332 90 1HG LYS 12 1HG LYS 12 5.017 4.331 -4.108 91 2HG LYS 12 2HG LYS 12 5.340 5.954 -3.497 92 1HD LYS 12 1HD LYS 12 4.986 6.391 -5.727 93 2HD LYS 12 2HD LYS 12 6.737 6.177 -5.702 94 1HE LYS 12 1HE LYS 12 4.706 4.076 -6.447 95 2HE LYS 12 2HE LYS 12 5.711 4.984 -7.575 96 1HZ LYS 12 1HZ LYS 12 7.673 3.998 -6.529 97 2HZ LYS 12 2HZ LYS 12 6.647 2.812 -7.164 98 3HZ LYS 12 3HZ LYS 12 6.681 3.095 -5.497 99 H ARG 13 H ARG 13 4.647 4.281 -1.326 100 HA ARG 13 HA ARG 13 5.199 5.819 0.975 101 1HB ARG 13 1HB ARG 13 4.202 7.955 0.279 102 2HB ARG 13 2HB ARG 13 5.670 7.595 -0.610 103 1HG ARG 13 1HG ARG 13 4.276 6.795 -2.495 104 2HG ARG 13 2HG ARG 13 2.844 7.309 -1.606 105 1HD ARG 13 1HD ARG 13 3.523 8.989 -3.241 106 2HD ARG 13 2HD ARG 13 3.659 9.605 -1.596 107 HE ARG 13 HE ARG 13 6.142 8.579 -2.281 108 1HH1 ARG 13 1HH1 ARG 13 4.009 11.115 -3.361 109 2HH1 ARG 13 2HH1 ARG 13 5.294 12.135 -3.916 110 1HH2 ARG 13 1HH2 ARG 13 7.839 9.915 -3.011 111 2HH2 ARG 13 2HH2 ARG 13 7.472 11.452 -3.717 112 H GLY 14 H GLY 14 3.697 5.061 2.299 113 1HA GLY 14 1HA GLY 14 1.374 5.197 2.992 114 2HA GLY 14 2HA GLY 14 0.919 4.923 1.318 115 H GLU 15 H GLU 15 3.483 3.082 2.788 116 HA GLU 15 HA GLU 15 2.382 0.603 2.111 117 1HB GLU 15 1HB GLU 15 4.394 1.179 4.296 118 2HB GLU 15 2HB GLU 15 4.111 -0.380 3.536 119 1HG GLU 15 1HG GLU 15 6.020 0.391 2.488 120 2HG GLU 15 2HG GLU 15 4.741 0.804 1.346 121 H ARG 16 H ARG 16 0.639 -0.363 2.909 122 HA ARG 16 HA ARG 16 0.157 -0.283 5.794 123 1HB ARG 16 1HB ARG 16 -1.894 0.421 3.692 124 2HB ARG 16 2HB ARG 16 -2.278 0.104 5.379 125 1HG ARG 16 1HG ARG 16 -0.986 2.008 6.083 126 2HG ARG 16 2HG ARG 16 -0.430 2.283 4.431 127 1HD ARG 16 1HD ARG 16 -2.228 3.822 5.030 128 2HD ARG 16 2HD ARG 16 -2.719 2.741 3.727 129 HE ARG 16 HE ARG 16 -3.521 1.591 6.137 130 1HH1 ARG 16 1HH1 ARG 16 -4.218 4.406 4.207 131 2HH1 ARG 16 2HH1 ARG 16 -5.857 4.534 4.752 132 1HH2 ARG 16 1HH2 ARG 16 -5.679 1.753 6.862 133 2HH2 ARG 16 2HH2 ARG 16 -6.687 3.027 6.261 134 H VAL 17 H VAL 17 -1.236 -1.961 6.577 135 HA VAL 17 HA VAL 17 -1.675 -4.181 4.704 136 HB VAL 17 HB VAL 17 -0.633 -4.677 7.485 137 1HG1 VAL 17 1HG1 VAL 17 -1.739 -6.539 6.372 138 2HG1 VAL 17 2HG1 VAL 17 -0.012 -6.851 6.540 139 3HG1 VAL 17 3HG1 VAL 17 -0.671 -6.359 4.981 140 1HG2 VAL 17 1HG2 VAL 17 1.048 -3.328 6.373 141 2HG2 VAL 17 2HG2 VAL 17 0.998 -4.388 4.964 142 3HG2 VAL 17 3HG2 VAL 17 1.601 -4.998 6.505 143 H ARG 18 H ARG 18 -3.657 -2.465 5.462 144 HA ARG 18 HA ARG 18 -5.114 -3.693 7.672 145 1HB ARG 18 1HB ARG 18 -5.031 -1.200 7.379 146 2HB ARG 18 2HB ARG 18 -5.961 -1.394 5.900 147 1HG ARG 18 1HG ARG 18 -7.832 -2.268 7.123 148 2HG ARG 18 2HG ARG 18 -6.898 -2.278 8.620 149 1HD ARG 18 1HD ARG 18 -6.678 0.181 8.448 150 2HD ARG 18 2HD ARG 18 -7.711 0.146 7.021 151 HE ARG 18 HE ARG 18 -9.326 -1.006 8.729 152 1HH1 ARG 18 1HH1 ARG 18 -7.200 1.699 9.278 153 2HH1 ARG 18 2HH1 ARG 18 -8.204 2.405 10.500 154 1HH2 ARG 18 1HH2 ARG 18 -10.652 -0.086 10.340 155 2HH2 ARG 18 2HH2 ARG 18 -10.165 1.391 11.104 156 H GLY 19 H GLY 19 -4.913 -3.750 4.264 157 1HA GLY 19 1HA GLY 19 -7.077 -5.716 4.151 158 2HA GLY 19 2HA GLY 19 -7.192 -4.315 3.093 159 H THR 20 H THR 20 -5.048 -6.991 3.979 160 HA THR 20 HA THR 20 -3.130 -6.870 2.060 161 HB THR 20 HB THR 20 -2.920 -9.304 2.183 162 HG1 THR 20 1HG THR 20 -5.319 -9.592 2.220 163 1HG2 THR 20 1HG2 THR 20 -3.647 -8.103 4.858 164 2HG2 THR 20 2HG2 THR 20 -2.087 -7.936 4.052 165 3HG2 THR 20 3HG2 THR 20 -2.634 -9.523 4.594 166 H CYS 21 H CYS 21 -2.909 -7.240 -0.057 167 HA CYS 21 HA CYS 21 -5.346 -7.668 -1.611 168 1HB CYS 21 1HB CYS 21 -3.970 -5.713 -2.152 169 2HB CYS 21 2HB CYS 21 -2.587 -6.756 -2.455 170 H GLY 22 H GLY 22 -2.593 -9.351 -0.553 171 1HA GLY 22 1HA GLY 22 -3.379 -11.761 -1.821 172 2HA GLY 22 2HA GLY 22 -2.006 -11.063 -2.667 173 H ILE 23 H ILE 23 -0.780 -12.927 -2.069 174 HA ILE 23 HA ILE 23 -0.276 -13.453 0.724 175 HB ILE 23 HB ILE 23 1.151 -14.555 -1.699 176 1HG1 ILE 23 1HG1 ILE 23 -1.242 -15.090 -1.759 177 2HG1 ILE 23 2HG1 ILE 23 -0.288 -16.531 -1.423 178 1HG2 ILE 23 1HG2 ILE 23 2.458 -14.781 0.327 179 2HG2 ILE 23 2HG2 ILE 23 1.845 -16.356 -0.177 180 3HG2 ILE 23 3HG2 ILE 23 1.081 -15.500 1.163 181 1HD1 ILE 23 1HD1 ILE 23 -2.279 -16.484 -0.058 182 2HD1 ILE 23 2HD1 ILE 23 -1.827 -14.908 0.590 183 3HD1 ILE 23 3HD1 ILE 23 -0.844 -16.327 0.954 184 H ARG 24 H ARG 24 1.820 -12.523 -2.011 185 HA ARG 24 HA ARG 24 3.748 -11.416 -0.114 186 1HB ARG 24 1HB ARG 24 5.281 -11.293 -2.023 187 2HB ARG 24 2HB ARG 24 4.630 -12.914 -1.837 188 1HG ARG 24 1HG ARG 24 3.300 -11.017 -3.712 189 2HG ARG 24 2HG ARG 24 4.801 -11.810 -4.193 190 1HD ARG 24 1HD ARG 24 2.280 -13.195 -3.280 191 2HD ARG 24 2HD ARG 24 2.839 -13.061 -4.946 192 HE ARG 24 HE ARG 24 4.894 -14.228 -3.501 193 1HH1 ARG 24 1HH1 ARG 24 1.597 -14.968 -4.350 194 2HH1 ARG 24 2HH1 ARG 24 1.843 -16.683 -4.338 195 1HH2 ARG 24 1HH2 ARG 24 5.228 -16.482 -3.482 196 2HH2 ARG 24 2HH2 ARG 24 3.908 -17.544 -3.840 197 H PHE 25 H PHE 25 1.086 -10.369 -1.653 198 HA PHE 25 HA PHE 25 2.093 -7.781 -2.509 199 1HB PHE 25 1HB PHE 25 -0.695 -8.954 -2.493 200 2HB PHE 25 2HB PHE 25 -0.294 -7.356 -3.113 201 HD1 PHE 25 1HD PHE 25 0.285 -10.974 -3.600 202 HD2 PHE 25 2HD PHE 25 0.570 -7.075 -5.278 203 HE1 PHE 25 1HE PHE 25 0.800 -11.961 -5.794 204 HE2 PHE 25 2HE PHE 25 1.084 -8.053 -7.476 205 HZ PHE 25 HZ PHE 25 1.199 -10.500 -7.736 206 H LEU 26 H LEU 26 0.434 -5.919 -1.836 207 HA LEU 26 HA LEU 26 -0.480 -6.031 0.877 208 1HB LEU 26 1HB LEU 26 1.014 -4.437 1.849 209 2HB LEU 26 2HB LEU 26 1.966 -5.750 1.186 210 HG LEU 26 HG LEU 26 1.548 -3.151 -0.277 211 1HD1 LEU 26 1HD1 LEU 26 2.604 -2.677 1.868 212 2HD1 LEU 26 2HD1 LEU 26 3.748 -2.478 0.541 213 3HD1 LEU 26 3HD1 LEU 26 3.816 -3.919 1.555 214 1HD2 LEU 26 1HD2 LEU 26 3.570 -3.862 -1.480 215 2HD2 LEU 26 2HD2 LEU 26 2.255 -5.023 -1.658 216 3HD2 LEU 26 3HD2 LEU 26 3.585 -5.361 -0.552 217 H TYR 27 H TYR 27 -1.058 -3.677 1.614 218 HA TYR 27 HA TYR 27 -2.352 -2.410 -0.704 219 1HB TYR 27 1HB TYR 27 -3.474 -3.384 1.633 220 2HB TYR 27 2HB TYR 27 -3.396 -1.648 1.908 221 HD1 TYR 27 1HD TYR 27 -5.356 -0.535 1.394 222 HD2 TYR 27 2HD TYR 27 -4.221 -3.889 -0.966 223 HE1 TYR 27 1HE TYR 27 -7.368 -0.239 0.016 224 HE2 TYR 27 2HE TYR 27 -6.229 -3.598 -2.354 225 HH TYR 27 HH TYR 27 -8.135 -0.813 -2.275 226 H CYS 28 H CYS 28 -1.753 -0.436 -1.264 227 HA CYS 28 HA CYS 28 -0.323 1.205 0.721 228 1HB CYS 28 1HB CYS 28 1.238 0.389 -0.970 229 2HB CYS 28 2HB CYS 28 0.208 1.022 -2.251 230 H CYS 29 H CYS 29 -1.641 2.783 1.315 231 HA CYS 29 HA CYS 29 -3.150 4.196 -0.782 232 1HB CYS 29 1HB CYS 29 -4.311 2.783 1.192 233 2HB CYS 29 2HB CYS 29 -4.120 4.325 2.018 234 HA PRO 30 HA PRO 30 -0.627 7.662 0.477 235 1HB PRO 30 1HB PRO 30 -2.121 9.628 -0.708 236 2HB PRO 30 2HB PRO 30 -0.967 8.609 -1.576 237 1HG PRO 30 1HG PRO 30 -3.941 8.353 -1.370 238 2HG PRO 30 2HG PRO 30 -2.895 8.148 -2.787 239 1HD PRO 30 1HD PRO 30 -3.866 6.041 -1.428 240 2HD PRO 30 2HD PRO 30 -2.247 6.017 -2.158 241 H ARG 31 H ARG 31 -0.633 8.548 2.431 242 HA ARG 31 HA ARG 31 -2.945 8.755 4.041 243 1HB ARG 31 1HB ARG 31 -0.181 9.930 4.364 244 2HB ARG 31 2HB ARG 31 -1.434 10.037 5.593 245 1HG ARG 31 1HG ARG 31 -1.512 7.572 5.680 246 2HG ARG 31 2HG ARG 31 -0.185 7.516 4.519 247 1HD ARG 31 1HD ARG 31 1.281 8.639 6.061 248 2HD ARG 31 2HD ARG 31 -0.046 8.902 7.192 249 HE ARG 31 HE ARG 31 0.472 6.133 6.573 250 1HH1 ARG 31 1HH1 ARG 31 1.223 8.816 8.668 251 2HH1 ARG 31 2HH1 ARG 31 1.761 7.812 9.973 252 1HH2 ARG 31 1HH2 ARG 31 1.176 4.806 8.286 253 2HH2 ARG 31 2HH2 ARG 31 1.737 5.533 9.754 254 H ARG 32 H ARG 32 -4.491 10.022 3.067 255 HA ARG 32 HA ARG 32 -3.825 12.769 2.364 256 1HB ARG 32 1HB ARG 32 -6.214 12.857 1.579 257 2HB ARG 32 2HB ARG 32 -5.200 11.686 0.751 258 1HG ARG 32 1HG ARG 32 -6.180 9.878 2.005 259 2HG ARG 32 2HG ARG 32 -7.107 11.014 2.985 260 1HD ARG 32 1HD ARG 32 -7.384 10.563 0.016 261 2HD ARG 32 2HD ARG 32 -8.508 10.025 1.265 262 HE ARG 32 HE ARG 32 -8.545 12.626 1.707 263 1HH1 ARG 32 1HH1 ARG 32 -8.585 10.918 -1.332 264 2HH1 ARG 32 2HH1 ARG 32 -9.516 12.129 -2.147 265 1HH2 ARG 32 1HH2 ARG 32 -9.769 14.224 0.641 266 2HH2 ARG 32 2HH2 ARG 32 -10.188 14.010 -1.027 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -8.626 12.858 -2.329 2 2H GLY 1 2H GLY 1 -9.003 11.959 -0.947 3 3H GLY 1 3H GLY 1 -9.631 11.502 -2.449 4 1HA GLY 1 1HA GLY 1 -7.422 10.984 -3.263 5 2HA GLY 1 2HA GLY 1 -6.754 11.483 -1.716 6 H LEU 2 H LEU 2 -9.332 9.328 -2.913 7 HA LEU 2 HA LEU 2 -8.473 7.354 -0.906 8 1HB LEU 2 1HB LEU 2 -11.136 7.536 -2.317 9 2HB LEU 2 2HB LEU 2 -10.713 6.426 -1.027 10 HG LEU 2 HG LEU 2 -10.884 9.428 -0.741 11 1HD1 LEU 2 1HD1 LEU 2 -12.766 7.274 0.214 12 2HD1 LEU 2 2HD1 LEU 2 -13.072 8.395 -1.111 13 3HD1 LEU 2 3HD1 LEU 2 -12.911 9.002 0.536 14 1HD2 LEU 2 1HD2 LEU 2 -9.263 8.428 0.782 15 2HD2 LEU 2 2HD2 LEU 2 -10.473 7.262 1.320 16 3HD2 LEU 2 3HD2 LEU 2 -10.692 8.979 1.657 17 H LEU 3 H LEU 3 -7.044 7.592 -3.296 18 HA LEU 3 HA LEU 3 -7.924 5.277 -4.880 19 1HB LEU 3 1HB LEU 3 -5.949 7.471 -5.508 20 2HB LEU 3 2HB LEU 3 -6.225 6.080 -6.536 21 HG LEU 3 HG LEU 3 -8.670 6.838 -6.630 22 1HD1 LEU 3 1HD1 LEU 3 -7.403 9.360 -5.572 23 2HD1 LEU 3 2HD1 LEU 3 -8.649 8.393 -4.781 24 3HD1 LEU 3 3HD1 LEU 3 -9.015 9.250 -6.278 25 1HD2 LEU 3 1HD2 LEU 3 -6.504 8.528 -7.871 26 2HD2 LEU 3 2HD2 LEU 3 -8.181 8.454 -8.414 27 3HD2 LEU 3 3HD2 LEU 3 -7.158 7.021 -8.515 28 H CYS 4 H CYS 4 -7.187 3.600 -3.602 29 HA CYS 4 HA CYS 4 -4.397 3.553 -2.779 30 1HB CYS 4 1HB CYS 4 -6.513 1.427 -2.399 31 2HB CYS 4 2HB CYS 4 -4.968 1.543 -1.563 32 H TYR 5 H TYR 5 -2.865 2.086 -3.513 33 HA TYR 5 HA TYR 5 -3.600 0.580 -5.937 34 1HB TYR 5 1HB TYR 5 -0.975 1.975 -5.372 35 2HB TYR 5 2HB TYR 5 -1.351 1.036 -6.813 36 HD1 TYR 5 1HD TYR 5 -3.631 1.864 -8.010 37 HD2 TYR 5 2HD TYR 5 -1.098 4.262 -5.574 38 HE1 TYR 5 1HE TYR 5 -4.506 3.886 -9.101 39 HE2 TYR 5 2HE TYR 5 -1.967 6.291 -6.658 40 HH TYR 5 HH TYR 5 -3.046 6.915 -8.804 41 H CYS 6 H CYS 6 -2.518 -1.387 -6.316 42 HA CYS 6 HA CYS 6 -1.653 -2.722 -3.874 43 1HB CYS 6 1HB CYS 6 -3.241 -4.024 -4.984 44 2HB CYS 6 2HB CYS 6 -2.578 -3.654 -6.572 45 H ARG 7 H ARG 7 0.345 -3.549 -3.524 46 HA ARG 7 HA ARG 7 2.303 -3.510 -5.695 47 1HB ARG 7 1HB ARG 7 2.672 -2.104 -3.046 48 2HB ARG 7 2HB ARG 7 3.982 -2.438 -4.172 49 1HG ARG 7 1HG ARG 7 2.723 -1.117 -5.887 50 2HG ARG 7 2HG ARG 7 1.604 -0.649 -4.606 51 1HD ARG 7 1HD ARG 7 3.475 0.321 -3.347 52 2HD ARG 7 2HD ARG 7 4.574 -0.125 -4.651 53 HE ARG 7 HE ARG 7 2.317 1.633 -5.264 54 1HH1 ARG 7 1HH1 ARG 7 5.744 1.196 -4.814 55 2HH1 ARG 7 2HH1 ARG 7 6.166 2.690 -5.582 56 1HH2 ARG 7 1HH2 ARG 7 2.862 3.602 -6.279 57 2HH2 ARG 7 2HH2 ARG 7 4.527 4.057 -6.416 58 H LYS 8 H LYS 8 4.386 -4.594 -4.991 59 HA LYS 8 HA LYS 8 3.761 -6.785 -3.122 60 1HB LYS 8 1HB LYS 8 3.832 -7.541 -5.462 61 2HB LYS 8 2HB LYS 8 5.464 -6.907 -5.618 62 1HG LYS 8 1HG LYS 8 6.213 -8.482 -3.878 63 2HG LYS 8 2HG LYS 8 4.582 -9.150 -3.814 64 1HD LYS 8 1HD LYS 8 4.753 -9.778 -6.178 65 2HD LYS 8 2HD LYS 8 6.390 -9.119 -6.231 66 1HE LYS 8 1HE LYS 8 5.449 -11.411 -4.509 67 2HE LYS 8 2HE LYS 8 6.424 -11.546 -5.970 68 1HZ LYS 8 1HZ LYS 8 8.169 -10.276 -4.869 69 2HZ LYS 8 2HZ LYS 8 7.797 -11.676 -3.998 70 3HZ LYS 8 3HZ LYS 8 7.233 -10.174 -3.463 71 H GLY 9 H GLY 9 4.983 -6.797 -1.367 72 1HA GLY 9 1HA GLY 9 7.116 -7.012 -0.318 73 2HA GLY 9 2HA GLY 9 7.810 -6.034 -1.600 74 H HIS 10 H HIS 10 7.280 -3.732 -1.621 75 HA HIS 10 HA HIS 10 6.193 -2.581 0.802 76 1HB HIS 10 1HB HIS 10 8.733 -3.182 1.092 77 2HB HIS 10 2HB HIS 10 8.987 -1.747 0.106 78 HD1 HIS 10 1HD HIS 10 7.523 -2.799 3.420 79 HD2 HIS 10 2HD HIS 10 8.760 0.641 1.446 80 HE1 HIS 10 1HE HIS 10 7.494 -0.981 5.158 81 HE2 HIS 10 2HE HIS 10 8.299 1.081 3.953 82 H CYS 11 H CYS 11 5.251 -0.655 0.376 83 HA CYS 11 HA CYS 11 5.191 0.297 -2.309 84 1HB CYS 11 1HB CYS 11 3.262 0.427 -0.712 85 2HB CYS 11 2HB CYS 11 4.128 1.686 0.158 86 H LYS 12 H LYS 12 5.457 2.748 -2.701 87 HA LYS 12 HA LYS 12 8.202 3.366 -2.235 88 1HB LYS 12 1HB LYS 12 7.746 5.405 -3.537 89 2HB LYS 12 2HB LYS 12 7.161 3.957 -4.344 90 1HG LYS 12 1HG LYS 12 4.888 4.458 -3.540 91 2HG LYS 12 2HG LYS 12 5.499 5.946 -2.811 92 1HD LYS 12 1HD LYS 12 6.216 6.725 -5.026 93 2HD LYS 12 2HD LYS 12 5.573 5.247 -5.746 94 1HE LYS 12 1HE LYS 12 4.016 7.117 -5.996 95 2HE LYS 12 2HE LYS 12 3.334 5.836 -4.994 96 1HZ LYS 12 1HZ LYS 12 2.909 8.015 -4.048 97 2HZ LYS 12 2HZ LYS 12 4.568 8.345 -3.990 98 3HZ LYS 12 3HZ LYS 12 3.916 7.117 -3.028 99 H ARG 13 H ARG 13 5.147 4.660 -1.017 100 HA ARG 13 HA ARG 13 6.324 5.529 1.400 101 1HB ARG 13 1HB ARG 13 5.987 7.982 1.051 102 2HB ARG 13 2HB ARG 13 7.304 7.294 0.120 103 1HG ARG 13 1HG ARG 13 5.929 7.269 -1.869 104 2HG ARG 13 2HG ARG 13 4.551 7.877 -0.949 105 1HD ARG 13 1HD ARG 13 7.170 9.319 -1.332 106 2HD ARG 13 2HD ARG 13 5.692 9.639 -2.238 107 HE ARG 13 HE ARG 13 4.814 10.005 0.227 108 1HH1 ARG 13 1HH1 ARG 13 7.793 11.070 -1.237 109 2HH1 ARG 13 2HH1 ARG 13 7.928 12.478 -0.239 110 1HH2 ARG 13 1HH2 ARG 13 4.987 11.854 1.544 111 2HH2 ARG 13 2HH2 ARG 13 6.335 12.924 1.343 112 H GLY 14 H GLY 14 4.264 3.980 1.282 113 1HA GLY 14 1HA GLY 14 2.208 5.296 2.649 114 2HA GLY 14 2HA GLY 14 1.710 5.136 0.971 115 H GLU 15 H GLU 15 3.719 2.830 2.684 116 HA GLU 15 HA GLU 15 2.223 0.604 1.888 117 1HB GLU 15 1HB GLU 15 3.909 0.609 4.375 118 2HB GLU 15 2HB GLU 15 3.663 -0.691 3.219 119 1HG GLU 15 1HG GLU 15 5.770 -0.040 2.653 120 2HG GLU 15 2HG GLU 15 4.829 0.979 1.572 121 H ARG 16 H ARG 16 0.715 -0.678 2.937 122 HA ARG 16 HA ARG 16 -0.188 -0.051 5.591 123 1HB ARG 16 1HB ARG 16 -1.250 1.670 3.994 124 2HB ARG 16 2HB ARG 16 -2.217 0.327 3.402 125 1HG ARG 16 1HG ARG 16 -3.549 1.398 5.001 126 2HG ARG 16 2HG ARG 16 -2.921 -0.039 5.811 127 1HD ARG 16 1HD ARG 16 -1.543 2.618 6.024 128 2HD ARG 16 2HD ARG 16 -2.878 2.185 7.092 129 HE ARG 16 HE ARG 16 -0.931 0.139 7.089 130 1HH1 ARG 16 1HH1 ARG 16 -1.484 3.375 8.258 131 2HH1 ARG 16 2HH1 ARG 16 -0.436 3.197 9.626 132 1HH2 ARG 16 1HH2 ARG 16 0.448 -0.104 8.887 133 2HH2 ARG 16 2HH2 ARG 16 0.663 1.220 9.983 134 H VAL 17 H VAL 17 -1.883 -1.487 6.330 135 HA VAL 17 HA VAL 17 -2.216 -3.900 4.681 136 HB VAL 17 HB VAL 17 -1.788 -4.054 7.660 137 1HG1 VAL 17 1HG1 VAL 17 -1.541 -6.095 5.452 138 2HG1 VAL 17 2HG1 VAL 17 -2.873 -5.965 6.601 139 3HG1 VAL 17 3HG1 VAL 17 -1.258 -6.393 7.167 140 1HG2 VAL 17 1HG2 VAL 17 0.305 -4.281 5.501 141 2HG2 VAL 17 2HG2 VAL 17 0.538 -4.735 7.188 142 3HG2 VAL 17 3HG2 VAL 17 0.221 -3.053 6.764 143 H ARG 18 H ARG 18 -4.092 -1.924 4.783 144 HA ARG 18 HA ARG 18 -6.049 -2.360 6.832 145 1HB ARG 18 1HB ARG 18 -5.912 -0.210 5.668 146 2HB ARG 18 2HB ARG 18 -6.273 -0.996 4.137 147 1HG ARG 18 1HG ARG 18 -8.486 -1.632 5.013 148 2HG ARG 18 2HG ARG 18 -8.118 -0.767 6.507 149 1HD ARG 18 1HD ARG 18 -7.900 1.316 5.273 150 2HD ARG 18 2HD ARG 18 -8.194 0.467 3.756 151 HE ARG 18 HE ARG 18 -10.308 0.141 5.669 152 1HH1 ARG 18 1HH1 ARG 18 -9.020 2.187 3.159 153 2HH1 ARG 18 2HH1 ARG 18 -10.544 2.923 2.797 154 1HH2 ARG 18 1HH2 ARG 18 -12.322 1.107 5.200 155 2HH2 ARG 18 2HH2 ARG 18 -12.422 2.310 3.958 156 H GLY 19 H GLY 19 -5.347 -3.603 3.682 157 1HA GLY 19 1HA GLY 19 -7.430 -5.642 4.039 158 2HA GLY 19 2HA GLY 19 -7.317 -4.777 2.510 159 H THR 20 H THR 20 -6.256 -5.842 0.987 160 HA THR 20 HA THR 20 -3.659 -6.813 1.248 161 HB THR 20 HB THR 20 -4.494 -8.595 2.624 162 HG1 THR 20 1HG THR 20 -3.002 -9.519 1.372 163 1HG2 THR 20 1HG2 THR 20 -6.847 -8.511 1.977 164 2HG2 THR 20 2HG2 THR 20 -6.222 -10.156 1.844 165 3HG2 THR 20 3HG2 THR 20 -6.446 -9.178 0.395 166 H CYS 21 H CYS 21 -2.965 -8.094 -0.679 167 HA CYS 21 HA CYS 21 -4.762 -7.723 -2.975 168 1HB CYS 21 1HB CYS 21 -3.159 -5.858 -2.922 169 2HB CYS 21 2HB CYS 21 -1.824 -7.005 -2.903 170 H GLY 22 H GLY 22 -2.619 -9.677 -1.236 171 1HA GLY 22 1HA GLY 22 -3.112 -11.962 -2.805 172 2HA GLY 22 2HA GLY 22 -1.527 -11.328 -3.220 173 H ILE 23 H ILE 23 -0.623 -13.303 -2.411 174 HA ILE 23 HA ILE 23 -0.962 -14.139 0.279 175 HB ILE 23 HB ILE 23 1.342 -14.737 -1.582 176 1HG1 ILE 23 1HG1 ILE 23 -1.174 -16.340 -1.078 177 2HG1 ILE 23 2HG1 ILE 23 -0.907 -15.331 -2.495 178 1HG2 ILE 23 1HG2 ILE 23 0.368 -16.157 0.894 179 2HG2 ILE 23 2HG2 ILE 23 1.864 -15.237 0.735 180 3HG2 ILE 23 3HG2 ILE 23 1.647 -16.732 -0.176 181 1HD1 ILE 23 1HD1 ILE 23 0.723 -17.735 -1.712 182 2HD1 ILE 23 2HD1 ILE 23 0.984 -16.727 -3.135 183 3HD1 ILE 23 3HD1 ILE 23 -0.496 -17.671 -2.983 184 H ARG 24 H ARG 24 1.845 -12.626 -1.325 185 HA ARG 24 HA ARG 24 2.702 -11.619 1.302 186 1HB ARG 24 1HB ARG 24 4.949 -11.408 0.312 187 2HB ARG 24 2HB ARG 24 4.354 -13.061 0.249 188 1HG ARG 24 1HG ARG 24 3.967 -11.272 -2.104 189 2HG ARG 24 2HG ARG 24 5.543 -12.008 -1.813 190 1HD ARG 24 1HD ARG 24 4.576 -14.214 -1.878 191 2HD ARG 24 2HD ARG 24 2.951 -13.540 -1.996 192 HE ARG 24 HE ARG 24 4.173 -12.505 -4.159 193 1HH1 ARG 24 1HH1 ARG 24 3.941 -15.754 -2.920 194 2HH1 ARG 24 2HH1 ARG 24 4.015 -16.492 -4.484 195 1HH2 ARG 24 1HH2 ARG 24 4.270 -13.468 -6.220 196 2HH2 ARG 24 2HH2 ARG 24 4.203 -15.193 -6.360 197 H PHE 25 H PHE 25 0.997 -10.609 -1.246 198 HA PHE 25 HA PHE 25 2.250 -8.099 -1.824 199 1HB PHE 25 1HB PHE 25 -0.542 -9.117 -2.382 200 2HB PHE 25 2HB PHE 25 0.088 -7.583 -2.971 201 HD1 PHE 25 1HD PHE 25 1.307 -7.480 -4.955 202 HD2 PHE 25 2HD PHE 25 0.647 -11.249 -3.089 203 HE1 PHE 25 1HE PHE 25 2.227 -8.617 -6.933 204 HE2 PHE 25 2HE PHE 25 1.568 -12.392 -5.064 205 HZ PHE 25 HZ PHE 25 2.360 -11.076 -6.989 206 H LEU 26 H LEU 26 1.501 -6.017 -1.239 207 HA LEU 26 HA LEU 26 -0.163 -5.954 1.192 208 1HB LEU 26 1HB LEU 26 2.163 -4.116 0.614 209 2HB LEU 26 2HB LEU 26 1.205 -4.175 2.079 210 HG LEU 26 HG LEU 26 2.086 -6.615 2.260 211 1HD1 LEU 26 1HD1 LEU 26 3.113 -6.767 0.081 212 2HD1 LEU 26 2HD1 LEU 26 4.354 -6.871 1.329 213 3HD1 LEU 26 3HD1 LEU 26 4.131 -5.370 0.430 214 1HD2 LEU 26 1HD2 LEU 26 3.856 -4.225 2.752 215 2HD2 LEU 26 2HD2 LEU 26 4.048 -5.813 3.494 216 3HD2 LEU 26 3HD2 LEU 26 2.613 -4.846 3.838 217 H TYR 27 H TYR 27 -1.077 -3.732 1.616 218 HA TYR 27 HA TYR 27 -2.002 -2.629 -0.946 219 1HB TYR 27 1HB TYR 27 -3.459 -3.605 1.195 220 2HB TYR 27 2HB TYR 27 -3.551 -1.858 1.400 221 HD1 TYR 27 1HD TYR 27 -5.183 -0.683 0.242 222 HD2 TYR 27 2HD TYR 27 -3.933 -4.477 -1.224 223 HE1 TYR 27 1HE TYR 27 -6.913 -0.572 -1.501 224 HE2 TYR 27 2HE TYR 27 -5.662 -4.375 -2.972 225 HH TYR 27 HH TYR 27 -7.840 -3.242 -3.347 226 H CYS 28 H CYS 28 -1.397 -0.672 -1.498 227 HA CYS 28 HA CYS 28 -0.341 1.126 0.582 228 1HB CYS 28 1HB CYS 28 1.295 0.425 -1.147 229 2HB CYS 28 2HB CYS 28 0.254 1.115 -2.387 230 H CYS 29 H CYS 29 -0.831 3.397 0.402 231 HA CYS 29 HA CYS 29 -2.774 4.311 -1.489 232 1HB CYS 29 1HB CYS 29 -3.987 2.918 0.386 233 2HB CYS 29 2HB CYS 29 -3.781 4.391 1.326 234 HA PRO 30 HA PRO 30 -0.620 8.074 -0.471 235 1HB PRO 30 1HB PRO 30 -3.074 9.404 -1.475 236 2HB PRO 30 2HB PRO 30 -1.397 9.595 -1.997 237 1HG PRO 30 1HG PRO 30 -3.153 8.266 -3.498 238 2HG PRO 30 2HG PRO 30 -1.470 7.722 -3.359 239 1HD PRO 30 1HD PRO 30 -3.928 6.643 -2.037 240 2HD PRO 30 2HD PRO 30 -2.536 5.773 -2.713 241 H ARG 31 H ARG 31 -0.483 9.170 1.377 242 HA ARG 31 HA ARG 31 -2.727 9.155 3.217 243 1HB ARG 31 1HB ARG 31 -0.491 8.571 4.033 244 2HB ARG 31 2HB ARG 31 0.108 10.152 3.552 245 1HG ARG 31 1HG ARG 31 -1.426 11.200 5.164 246 2HG ARG 31 2HG ARG 31 -1.954 9.596 5.675 247 1HD ARG 31 1HD ARG 31 0.866 10.657 5.837 248 2HD ARG 31 2HD ARG 31 -0.262 10.530 7.187 249 HE ARG 31 HE ARG 31 -0.204 8.073 6.773 250 1HH1 ARG 31 1HH1 ARG 31 2.432 10.096 5.716 251 2HH1 ARG 31 2HH1 ARG 31 3.605 8.825 5.789 252 1HH2 ARG 31 1HH2 ARG 31 1.337 6.396 6.873 253 2HH2 ARG 31 2HH2 ARG 31 2.984 6.723 6.449 254 H ARG 32 H ARG 32 -0.739 11.488 1.464 255 HA ARG 32 HA ARG 32 -2.855 13.415 1.460 256 1HB ARG 32 1HB ARG 32 -1.990 13.846 3.696 257 2HB ARG 32 2HB ARG 32 -0.359 14.008 3.062 258 1HG ARG 32 1HG ARG 32 -1.266 16.185 3.517 259 2HG ARG 32 2HG ARG 32 -1.083 15.980 1.774 260 1HD ARG 32 1HD ARG 32 -3.204 17.046 2.279 261 2HD ARG 32 2HD ARG 32 -3.471 15.441 1.598 262 HE ARG 32 HE ARG 32 -3.473 15.077 4.316 263 1HH1 ARG 32 1HH1 ARG 32 -5.286 17.012 2.055 264 2HH1 ARG 32 2HH1 ARG 32 -6.731 17.006 3.010 265 1HH2 ARG 32 1HH2 ARG 32 -5.371 15.066 5.581 266 2HH2 ARG 32 2HH2 ARG 32 -6.779 15.901 5.015 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -9.341 13.113 -4.985 2 2H GLY 1 2H GLY 1 -7.852 12.942 -4.202 3 3H GLY 1 3H GLY 1 -9.079 13.865 -3.491 4 1HA GLY 1 1HA GLY 1 -8.914 11.736 -2.389 5 2HA GLY 1 2HA GLY 1 -10.453 11.899 -3.222 6 H LEU 2 H LEU 2 -7.219 10.500 -3.468 7 HA LEU 2 HA LEU 2 -8.196 8.628 -5.504 8 1HB LEU 2 1HB LEU 2 -5.414 9.322 -4.572 9 2HB LEU 2 2HB LEU 2 -5.755 8.011 -5.685 10 HG LEU 2 HG LEU 2 -6.842 9.769 -7.187 11 1HD1 LEU 2 1HD1 LEU 2 -6.012 12.065 -6.877 12 2HD1 LEU 2 2HD1 LEU 2 -5.329 11.591 -5.322 13 3HD1 LEU 2 3HD1 LEU 2 -7.075 11.551 -5.567 14 1HD2 LEU 2 1HD2 LEU 2 -4.701 8.741 -7.698 15 2HD2 LEU 2 2HD2 LEU 2 -3.877 9.895 -6.648 16 3HD2 LEU 2 3HD2 LEU 2 -4.677 10.455 -8.117 17 H LEU 3 H LEU 3 -7.993 6.390 -5.255 18 HA LEU 3 HA LEU 3 -8.149 5.490 -2.503 19 1HB LEU 3 1HB LEU 3 -8.582 4.099 -5.142 20 2HB LEU 3 2HB LEU 3 -8.657 3.263 -3.604 21 HG LEU 3 HG LEU 3 -10.891 3.752 -4.339 22 1HD1 LEU 3 1HD1 LEU 3 -10.349 3.960 -1.917 23 2HD1 LEU 3 2HD1 LEU 3 -11.754 4.895 -2.432 24 3HD1 LEU 3 3HD1 LEU 3 -10.213 5.704 -2.150 25 1HD2 LEU 3 1HD2 LEU 3 -10.380 5.610 -5.838 26 2HD2 LEU 3 2HD2 LEU 3 -10.057 6.648 -4.447 27 3HD2 LEU 3 3HD2 LEU 3 -11.683 6.022 -4.723 28 H CYS 4 H CYS 4 -7.103 3.222 -2.112 29 HA CYS 4 HA CYS 4 -4.292 3.599 -2.212 30 1HB CYS 4 1HB CYS 4 -5.571 0.946 -1.622 31 2HB CYS 4 2HB CYS 4 -4.119 1.657 -0.924 32 H TYR 5 H TYR 5 -3.019 1.372 -2.846 33 HA TYR 5 HA TYR 5 -3.900 0.444 -5.465 34 1HB TYR 5 1HB TYR 5 -1.266 1.864 -5.025 35 2HB TYR 5 2HB TYR 5 -1.700 0.990 -6.489 36 HD1 TYR 5 1HD TYR 5 -1.927 4.098 -4.707 37 HD2 TYR 5 2HD TYR 5 -3.672 1.819 -7.847 38 HE1 TYR 5 1HE TYR 5 -2.968 6.139 -5.602 39 HE2 TYR 5 2HE TYR 5 -4.716 3.854 -8.751 40 HH TYR 5 HH TYR 5 -3.852 6.977 -7.721 41 H CYS 6 H CYS 6 -3.274 -1.594 -5.918 42 HA CYS 6 HA CYS 6 -2.032 -3.130 -3.835 43 1HB CYS 6 1HB CYS 6 -3.765 -4.246 -4.977 44 2HB CYS 6 2HB CYS 6 -3.140 -3.787 -6.556 45 H ARG 7 H ARG 7 0.026 -3.741 -3.653 46 HA ARG 7 HA ARG 7 1.778 -3.607 -5.995 47 1HB ARG 7 1HB ARG 7 2.031 -2.012 -3.495 48 2HB ARG 7 2HB ARG 7 3.508 -2.646 -4.209 49 1HG ARG 7 1HG ARG 7 3.473 -1.162 -5.873 50 2HG ARG 7 2HG ARG 7 1.743 -1.369 -6.145 51 1HD ARG 7 1HD ARG 7 1.200 0.168 -4.420 52 2HD ARG 7 2HD ARG 7 2.861 0.193 -3.829 53 HE ARG 7 HE ARG 7 3.335 1.790 -5.387 54 1HH1 ARG 7 1HH1 ARG 7 0.419 0.145 -6.354 55 2HH1 ARG 7 2HH1 ARG 7 0.110 1.208 -7.684 56 1HH2 ARG 7 1HH2 ARG 7 2.930 3.197 -7.133 57 2HH2 ARG 7 2HH2 ARG 7 1.534 2.943 -8.125 58 H LYS 8 H LYS 8 4.012 -4.529 -5.397 59 HA LYS 8 HA LYS 8 3.622 -6.869 -3.646 60 1HB LYS 8 1HB LYS 8 3.667 -7.539 -5.985 61 2HB LYS 8 2HB LYS 8 5.177 -6.675 -6.232 62 1HG LYS 8 1HG LYS 8 6.279 -8.203 -4.645 63 2HG LYS 8 2HG LYS 8 4.765 -9.096 -4.488 64 1HD LYS 8 1HD LYS 8 4.814 -9.610 -6.875 65 2HD LYS 8 2HD LYS 8 6.312 -8.695 -7.049 66 1HE LYS 8 1HE LYS 8 7.423 -10.247 -5.506 67 2HE LYS 8 2HE LYS 8 5.926 -11.167 -5.363 68 1HZ LYS 8 1HZ LYS 8 7.487 -10.767 -7.858 69 2HZ LYS 8 2HZ LYS 8 6.039 -11.632 -7.738 70 3HZ LYS 8 3HZ LYS 8 7.425 -12.191 -6.945 71 H GLY 9 H GLY 9 4.938 -6.941 -1.955 72 1HA GLY 9 1HA GLY 9 7.094 -6.995 -0.962 73 2HA GLY 9 2HA GLY 9 7.672 -5.917 -2.224 74 H HIS 10 H HIS 10 6.961 -3.662 -2.137 75 HA HIS 10 HA HIS 10 5.793 -2.661 0.283 76 1HB HIS 10 1HB HIS 10 7.705 -1.425 1.096 77 2HB HIS 10 2HB HIS 10 8.117 -3.136 1.005 78 HD1 HIS 10 1HD HIS 10 8.403 -0.140 -1.317 79 HD2 HIS 10 2HD HIS 10 10.549 -3.486 -0.114 80 HE1 HIS 10 1HE HIS 10 10.558 -0.041 -2.579 81 HE2 HIS 10 2HE HIS 10 11.881 -2.035 -1.791 82 H CYS 11 H CYS 11 5.402 -0.388 0.237 83 HA CYS 11 HA CYS 11 5.481 0.711 -2.491 84 1HB CYS 11 1HB CYS 11 3.235 0.341 -1.421 85 2HB CYS 11 2HB CYS 11 3.673 1.548 -0.219 86 H LYS 12 H LYS 12 5.424 3.227 -2.442 87 HA LYS 12 HA LYS 12 7.422 4.153 -0.487 88 1HB LYS 12 1HB LYS 12 8.298 5.642 -2.261 89 2HB LYS 12 2HB LYS 12 8.465 3.937 -2.657 90 1HG LYS 12 1HG LYS 12 6.504 4.072 -4.100 91 2HG LYS 12 2HG LYS 12 6.322 5.781 -3.695 92 1HD LYS 12 1HD LYS 12 8.537 6.231 -4.659 93 2HD LYS 12 2HD LYS 12 8.688 4.526 -5.088 94 1HE LYS 12 1HE LYS 12 6.724 4.714 -6.531 95 2HE LYS 12 2HE LYS 12 6.564 6.415 -6.094 96 1HZ LYS 12 1HZ LYS 12 8.860 5.194 -7.529 97 2HZ LYS 12 2HZ LYS 12 8.745 6.820 -7.078 98 3HZ LYS 12 3HZ LYS 12 7.668 6.180 -8.214 99 H ARG 13 H ARG 13 4.533 4.337 -0.269 100 HA ARG 13 HA ARG 13 4.314 6.997 0.585 101 1HB ARG 13 1HB ARG 13 2.572 7.757 -1.064 102 2HB ARG 13 2HB ARG 13 4.213 7.685 -1.682 103 1HG ARG 13 1HG ARG 13 3.694 5.513 -2.726 104 2HG ARG 13 2HG ARG 13 2.028 5.670 -2.163 105 1HD ARG 13 1HD ARG 13 1.773 7.719 -3.462 106 2HD ARG 13 2HD ARG 13 3.445 7.594 -4.004 107 HE ARG 13 HE ARG 13 2.018 5.241 -4.658 108 1HH1 ARG 13 1HH1 ARG 13 2.368 8.580 -5.590 109 2HH1 ARG 13 2HH1 ARG 13 1.914 8.303 -7.238 110 1HH2 ARG 13 1HH2 ARG 13 1.422 4.867 -6.828 111 2HH2 ARG 13 2HH2 ARG 13 1.378 6.192 -7.942 112 H GLY 14 H GLY 14 3.679 5.356 2.259 113 1HA GLY 14 1HA GLY 14 1.819 5.021 3.677 114 2HA GLY 14 2HA GLY 14 0.760 5.179 2.286 115 H GLU 15 H GLU 15 3.254 3.028 3.635 116 HA GLU 15 HA GLU 15 2.176 0.760 2.189 117 1HB GLU 15 1HB GLU 15 4.353 0.838 4.289 118 2HB GLU 15 2HB GLU 15 3.985 -0.510 3.224 119 1HG GLU 15 1HG GLU 15 5.860 0.498 2.288 120 2HG GLU 15 2HG GLU 15 4.513 1.065 1.303 121 H ARG 16 H ARG 16 0.134 0.376 2.994 122 HA ARG 16 HA ARG 16 -0.056 -0.243 5.866 123 1HB ARG 16 1HB ARG 16 -2.243 0.522 3.924 124 2HB ARG 16 2HB ARG 16 -2.484 0.134 5.622 125 1HG ARG 16 1HG ARG 16 -1.143 2.056 6.271 126 2HG ARG 16 2HG ARG 16 -0.847 2.435 4.572 127 1HD ARG 16 1HD ARG 16 -2.616 3.842 5.478 128 2HD ARG 16 2HD ARG 16 -3.246 2.769 4.229 129 HE ARG 16 HE ARG 16 -3.523 1.735 6.898 130 1HH1 ARG 16 1HH1 ARG 16 -4.967 3.729 4.429 131 2HH1 ARG 16 2HH1 ARG 16 -6.574 3.561 5.054 132 1HH2 ARG 16 1HH2 ARG 16 -5.635 1.512 7.727 133 2HH2 ARG 16 2HH2 ARG 16 -6.953 2.304 6.929 134 H VAL 17 H VAL 17 -1.565 -1.981 6.457 135 HA VAL 17 HA VAL 17 -1.724 -4.087 4.408 136 HB VAL 17 HB VAL 17 -1.206 -4.708 7.307 137 1HG1 VAL 17 1HG1 VAL 17 -0.494 -6.855 6.449 138 2HG1 VAL 17 2HG1 VAL 17 -0.710 -6.294 4.791 139 3HG1 VAL 17 3HG1 VAL 17 -2.109 -6.479 5.848 140 1HG2 VAL 17 1HG2 VAL 17 0.870 -4.373 5.143 141 2HG2 VAL 17 2HG2 VAL 17 1.163 -4.980 6.772 142 3HG2 VAL 17 3HG2 VAL 17 0.645 -3.311 6.533 143 H ARG 18 H ARG 18 -3.801 -2.375 4.896 144 HA ARG 18 HA ARG 18 -5.632 -3.449 6.828 145 1HB ARG 18 1HB ARG 18 -5.705 -1.083 6.180 146 2HB ARG 18 2HB ARG 18 -6.091 -1.538 4.527 147 1HG ARG 18 1HG ARG 18 -8.205 -2.482 5.258 148 2HG ARG 18 2HG ARG 18 -7.814 -2.092 6.934 149 1HD ARG 18 1HD ARG 18 -7.749 0.288 6.360 150 2HD ARG 18 2HD ARG 18 -8.142 -0.105 4.688 151 HE ARG 18 HE ARG 18 -10.266 -1.072 5.679 152 1HH1 ARG 18 1HH1 ARG 18 -8.527 1.576 7.132 153 2HH1 ARG 18 2HH1 ARG 18 -9.933 2.260 7.876 154 1HH2 ARG 18 1HH2 ARG 18 -12.122 -0.178 6.658 155 2HH2 ARG 18 2HH2 ARG 18 -11.976 1.261 7.609 156 H GLY 19 H GLY 19 -5.411 -3.471 3.288 157 1HA GLY 19 1HA GLY 19 -7.092 -5.900 3.287 158 2HA GLY 19 2HA GLY 19 -7.295 -4.629 2.088 159 H THR 20 H THR 20 -5.030 -7.026 3.331 160 HA THR 20 HA THR 20 -2.925 -6.812 1.617 161 HB THR 20 HB THR 20 -2.550 -9.223 1.872 162 HG1 THR 20 1HG THR 20 -4.321 -10.387 1.945 163 1HG2 THR 20 1HG2 THR 20 -1.967 -7.741 3.730 164 2HG2 THR 20 2HG2 THR 20 -2.506 -9.314 4.320 165 3HG2 THR 20 3HG2 THR 20 -3.591 -7.926 4.393 166 H CYS 21 H CYS 21 -2.645 -6.896 -0.493 167 HA CYS 21 HA CYS 21 -4.788 -7.572 -2.264 168 1HB CYS 21 1HB CYS 21 -3.178 -5.767 -2.758 169 2HB CYS 21 2HB CYS 21 -1.885 -6.955 -2.863 170 H GLY 22 H GLY 22 -2.582 -9.403 -0.604 171 1HA GLY 22 1HA GLY 22 -3.294 -11.837 -1.765 172 2HA GLY 22 2HA GLY 22 -1.785 -11.331 -2.511 173 H ILE 23 H ILE 23 -0.671 -13.099 -1.601 174 HA ILE 23 HA ILE 23 -0.537 -13.304 1.297 175 HB ILE 23 HB ILE 23 0.989 -14.895 -0.768 176 1HG1 ILE 23 1HG1 ILE 23 -1.572 -15.615 0.677 177 2HG1 ILE 23 2HG1 ILE 23 -1.482 -15.104 -1.005 178 1HG2 ILE 23 1HG2 ILE 23 1.990 -14.932 1.455 179 2HG2 ILE 23 2HG2 ILE 23 1.295 -16.503 1.055 180 3HG2 ILE 23 3HG2 ILE 23 0.444 -15.416 2.154 181 1HD1 ILE 23 1HD1 ILE 23 -0.098 -17.068 -1.505 182 2HD1 ILE 23 2HD1 ILE 23 -1.681 -17.501 -0.861 183 3HD1 ILE 23 3HD1 ILE 23 -0.256 -17.586 0.173 184 H ARG 24 H ARG 24 1.632 -12.584 -1.416 185 HA ARG 24 HA ARG 24 3.629 -11.587 0.495 186 1HB ARG 24 1HB ARG 24 5.221 -11.710 -1.381 187 2HB ARG 24 2HB ARG 24 4.469 -13.267 -1.056 188 1HG ARG 24 1HG ARG 24 2.929 -12.898 -2.932 189 2HG ARG 24 2HG ARG 24 3.731 -11.363 -3.270 190 1HD ARG 24 1HD ARG 24 5.834 -12.549 -3.664 191 2HD ARG 24 2HD ARG 24 5.034 -14.083 -3.322 192 HE ARG 24 HE ARG 24 3.644 -12.776 -5.377 193 1HH1 ARG 24 1HH1 ARG 24 6.702 -14.339 -4.795 194 2HH1 ARG 24 2HH1 ARG 24 6.907 -14.838 -6.441 195 1HH2 ARG 24 1HH2 ARG 24 3.907 -13.425 -7.548 196 2HH2 ARG 24 2HH2 ARG 24 5.319 -14.317 -8.006 197 H PHE 25 H PHE 25 1.100 -10.449 -1.161 198 HA PHE 25 HA PHE 25 2.359 -7.990 -2.115 199 1HB PHE 25 1HB PHE 25 -0.489 -8.989 -2.328 200 2HB PHE 25 2HB PHE 25 0.088 -7.467 -2.996 201 HD1 PHE 25 1HD PHE 25 0.464 -11.141 -3.201 202 HD2 PHE 25 2HD PHE 25 1.163 -7.386 -5.078 203 HE1 PHE 25 1HE PHE 25 1.120 -12.301 -5.270 204 HE2 PHE 25 2HE PHE 25 1.819 -8.539 -7.149 205 HZ PHE 25 HZ PHE 25 1.798 -11.000 -7.248 206 H LEU 26 H LEU 26 0.779 -5.999 -1.700 207 HA LEU 26 HA LEU 26 -0.330 -5.954 0.968 208 1HB LEU 26 1HB LEU 26 1.084 -4.207 1.828 209 2HB LEU 26 2HB LEU 26 2.071 -5.580 1.375 210 HG LEU 26 HG LEU 26 1.719 -3.199 -0.430 211 1HD1 LEU 26 1HD1 LEU 26 2.614 -2.379 1.667 212 2HD1 LEU 26 2HD1 LEU 26 3.873 -2.390 0.431 213 3HD1 LEU 26 3HD1 LEU 26 3.838 -3.649 1.666 214 1HD2 LEU 26 1HD2 LEU 26 3.846 -4.011 -1.369 215 2HD2 LEU 26 2HD2 LEU 26 2.553 -5.202 -1.505 216 3HD2 LEU 26 3HD2 LEU 26 3.792 -5.384 -0.263 217 H TYR 27 H TYR 27 -0.879 -3.494 1.485 218 HA TYR 27 HA TYR 27 -2.102 -2.419 -0.968 219 1HB TYR 27 1HB TYR 27 -3.356 -3.337 1.330 220 2HB TYR 27 2HB TYR 27 -3.363 -1.590 1.521 221 HD1 TYR 27 1HD TYR 27 -5.400 -0.687 0.920 222 HD2 TYR 27 2HD TYR 27 -3.824 -3.899 -1.382 223 HE1 TYR 27 1HE TYR 27 -7.327 -0.536 -0.598 224 HE2 TYR 27 2HE TYR 27 -5.749 -3.756 -2.908 225 HH TYR 27 HH TYR 27 -8.071 -2.939 -2.872 226 H CYS 28 H CYS 28 -1.590 -0.405 -1.532 227 HA CYS 28 HA CYS 28 -0.105 1.228 0.420 228 1HB CYS 28 1HB CYS 28 1.257 0.571 -1.491 229 2HB CYS 28 2HB CYS 28 0.056 1.224 -2.598 230 H CYS 29 H CYS 29 -1.566 2.577 1.307 231 HA CYS 29 HA CYS 29 -3.497 3.914 -0.436 232 1HB CYS 29 1HB CYS 29 -3.290 3.904 2.581 233 2HB CYS 29 2HB CYS 29 -4.578 4.646 1.640 234 HA PRO 30 HA PRO 30 -0.885 7.518 -0.651 235 1HB PRO 30 1HB PRO 30 -3.401 8.959 -1.233 236 2HB PRO 30 2HB PRO 30 -1.927 8.832 -2.199 237 1HG PRO 30 1HG PRO 30 -4.154 7.534 -2.900 238 2HG PRO 30 2HG PRO 30 -2.553 6.807 -3.128 239 1HD PRO 30 1HD PRO 30 -4.591 6.278 -1.000 240 2HD PRO 30 2HD PRO 30 -3.553 5.134 -1.876 241 H ARG 31 H ARG 31 -0.166 8.492 1.118 242 HA ARG 31 HA ARG 31 -1.994 10.112 2.709 243 1HB ARG 31 1HB ARG 31 -1.934 7.939 3.864 244 2HB ARG 31 2HB ARG 31 -0.180 8.028 3.942 245 1HG ARG 31 1HG ARG 31 -0.312 9.975 5.378 246 2HG ARG 31 2HG ARG 31 -2.073 9.971 5.251 247 1HD ARG 31 1HD ARG 31 -2.130 7.757 6.312 248 2HD ARG 31 2HD ARG 31 -0.372 7.790 6.458 249 HE ARG 31 HE ARG 31 -0.977 9.992 7.777 250 1HH1 ARG 31 1HH1 ARG 31 -2.539 6.878 7.884 251 2HH1 ARG 31 2HH1 ARG 31 -3.049 7.048 9.530 252 1HH2 ARG 31 1HH2 ARG 31 -1.650 10.226 9.940 253 2HH2 ARG 31 2HH2 ARG 31 -2.548 8.953 10.697 254 H ARG 32 H ARG 32 -0.934 11.899 1.831 255 HA ARG 32 HA ARG 32 1.934 12.172 2.244 256 1HB ARG 32 1HB ARG 32 0.876 12.904 0.117 257 2HB ARG 32 2HB ARG 32 -0.027 14.118 1.013 258 1HG ARG 32 1HG ARG 32 1.834 15.187 -0.008 259 2HG ARG 32 2HG ARG 32 2.145 15.107 1.727 260 1HD ARG 32 1HD ARG 32 4.146 14.536 0.468 261 2HD ARG 32 2HD ARG 32 3.564 13.144 1.380 262 HE ARG 32 HE ARG 32 2.515 13.123 -1.250 263 1HH1 ARG 32 1HH1 ARG 32 5.446 12.528 0.539 264 2HH1 ARG 32 2HH1 ARG 32 6.067 11.389 -0.610 265 1HH2 ARG 32 1HH2 ARG 32 3.326 11.627 -2.766 266 2HH2 ARG 32 2HH2 ARG 32 4.863 10.878 -2.487 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -10.736 11.034 -6.032 2 2H GLY 1 2H GLY 1 -9.764 11.864 -7.140 3 3H GLY 1 3H GLY 1 -10.893 12.709 -6.208 4 1HA GLY 1 1HA GLY 1 -8.682 13.062 -5.335 5 2HA GLY 1 2HA GLY 1 -9.681 12.181 -4.190 6 H LEU 2 H LEU 2 -7.649 11.502 -3.241 7 HA LEU 2 HA LEU 2 -5.760 9.936 -4.641 8 1HB LEU 2 1HB LEU 2 -6.400 10.027 -1.692 9 2HB LEU 2 2HB LEU 2 -4.987 9.255 -2.388 10 HG LEU 2 HG LEU 2 -5.594 12.205 -2.617 11 1HD1 LEU 2 1HD1 LEU 2 -3.805 12.505 -0.968 12 2HD1 LEU 2 2HD1 LEU 2 -3.700 10.756 -0.769 13 3HD1 LEU 2 3HD1 LEU 2 -5.169 11.609 -0.297 14 1HD2 LEU 2 1HD2 LEU 2 -4.220 11.352 -4.433 15 2HD2 LEU 2 2HD2 LEU 2 -3.129 10.592 -3.274 16 3HD2 LEU 2 3HD2 LEU 2 -3.254 12.351 -3.346 17 H LEU 3 H LEU 3 -5.283 7.628 -4.138 18 HA LEU 3 HA LEU 3 -7.509 5.964 -3.350 19 1HB LEU 3 1HB LEU 3 -7.975 6.476 -5.733 20 2HB LEU 3 2HB LEU 3 -6.421 5.784 -6.161 21 HG LEU 3 HG LEU 3 -7.197 3.597 -5.253 22 1HD1 LEU 3 1HD1 LEU 3 -9.589 3.285 -4.848 23 2HD1 LEU 3 2HD1 LEU 3 -9.848 5.019 -5.046 24 3HD1 LEU 3 3HD1 LEU 3 -8.879 4.420 -3.701 25 1HD2 LEU 3 1HD2 LEU 3 -8.893 4.816 -7.430 26 2HD2 LEU 3 2HD2 LEU 3 -8.699 3.089 -7.126 27 3HD2 LEU 3 3HD2 LEU 3 -7.314 4.056 -7.636 28 H CYS 4 H CYS 4 -6.924 3.731 -3.102 29 HA CYS 4 HA CYS 4 -4.047 3.396 -2.652 30 1HB CYS 4 1HB CYS 4 -6.149 1.458 -1.734 31 2HB CYS 4 2HB CYS 4 -4.571 1.790 -1.031 32 H TYR 5 H TYR 5 -2.882 1.692 -3.524 33 HA TYR 5 HA TYR 5 -4.281 0.056 -5.536 34 1HB TYR 5 1HB TYR 5 -1.516 1.256 -5.799 35 2HB TYR 5 2HB TYR 5 -2.310 0.226 -6.985 36 HD1 TYR 5 1HD TYR 5 -2.035 3.584 -5.634 37 HD2 TYR 5 2HD TYR 5 -4.266 1.076 -8.249 38 HE1 TYR 5 1HE TYR 5 -3.027 5.573 -6.685 39 HE2 TYR 5 2HE TYR 5 -5.262 3.058 -9.308 40 HH TYR 5 HH TYR 5 -5.710 5.421 -8.742 41 H CYS 6 H CYS 6 -2.907 -1.871 -6.215 42 HA CYS 6 HA CYS 6 -1.932 -3.180 -3.784 43 1HB CYS 6 1HB CYS 6 -2.616 -4.355 -6.490 44 2HB CYS 6 2HB CYS 6 -2.187 -5.271 -5.049 45 H ARG 7 H ARG 7 0.136 -3.807 -3.504 46 HA ARG 7 HA ARG 7 1.956 -3.768 -5.800 47 1HB ARG 7 1HB ARG 7 2.371 -2.254 -3.224 48 2HB ARG 7 2HB ARG 7 3.661 -2.584 -4.371 49 1HG ARG 7 1HG ARG 7 2.312 -1.382 -6.102 50 2HG ARG 7 2HG ARG 7 1.201 -0.913 -4.813 51 1HD ARG 7 1HD ARG 7 3.036 0.196 -3.636 52 2HD ARG 7 2HD ARG 7 4.148 -0.280 -4.917 53 HE ARG 7 HE ARG 7 1.877 1.560 -5.319 54 1HH1 ARG 7 1HH1 ARG 7 5.154 0.551 -5.979 55 2HH1 ARG 7 2HH1 ARG 7 5.466 1.857 -7.072 56 1HH2 ARG 7 1HH2 ARG 7 2.286 3.273 -6.761 57 2HH2 ARG 7 2HH2 ARG 7 3.839 3.400 -7.517 58 H LYS 8 H LYS 8 4.245 -4.507 -4.945 59 HA LYS 8 HA LYS 8 3.837 -6.777 -3.110 60 1HB LYS 8 1HB LYS 8 3.958 -7.564 -5.434 61 2HB LYS 8 2HB LYS 8 5.501 -6.746 -5.634 62 1HG LYS 8 1HG LYS 8 6.514 -8.204 -3.977 63 2HG LYS 8 2HG LYS 8 4.962 -9.002 -3.714 64 1HD LYS 8 1HD LYS 8 4.953 -9.736 -6.055 65 2HD LYS 8 2HD LYS 8 6.514 -8.949 -6.303 66 1HE LYS 8 1HE LYS 8 7.542 -10.424 -4.671 67 2HE LYS 8 2HE LYS 8 5.982 -11.176 -4.339 68 1HZ LYS 8 1HZ LYS 8 5.919 -11.956 -6.630 69 2HZ LYS 8 2HZ LYS 8 7.302 -12.524 -5.839 70 3HZ LYS 8 3HZ LYS 8 7.423 -11.243 -6.937 71 H GLY 9 H GLY 9 5.440 -7.193 -1.644 72 1HA GLY 9 1HA GLY 9 7.407 -6.925 -0.468 73 2HA GLY 9 2HA GLY 9 8.049 -6.024 -1.833 74 H HIS 10 H HIS 10 7.835 -3.790 -1.899 75 HA HIS 10 HA HIS 10 6.779 -2.542 0.545 76 1HB HIS 10 1HB HIS 10 8.622 -0.844 0.293 77 2HB HIS 10 2HB HIS 10 9.160 -2.461 0.741 78 HD1 HIS 10 1HD HIS 10 8.325 -1.332 -2.760 79 HD2 HIS 10 2HD HIS 10 11.614 -2.448 -0.484 80 HE1 HIS 10 1HE HIS 10 10.222 -1.529 -4.381 81 HE2 HIS 10 2HE HIS 10 12.235 -2.077 -2.967 82 H CYS 11 H CYS 11 6.392 -0.148 0.247 83 HA CYS 11 HA CYS 11 5.122 0.275 -2.372 84 1HB CYS 11 1HB CYS 11 4.569 1.792 0.180 85 2HB CYS 11 2HB CYS 11 3.604 1.781 -1.289 86 H LYS 12 H LYS 12 4.800 2.931 -2.464 87 HA LYS 12 HA LYS 12 7.556 3.915 -2.652 88 1HB LYS 12 1HB LYS 12 6.604 5.625 -4.189 89 2HB LYS 12 2HB LYS 12 6.386 3.975 -4.755 90 1HG LYS 12 1HG LYS 12 4.080 3.991 -4.063 91 2HG LYS 12 2HG LYS 12 4.275 5.588 -3.339 92 1HD LYS 12 1HD LYS 12 4.725 5.024 -6.264 93 2HD LYS 12 2HD LYS 12 3.179 5.560 -5.603 94 1HE LYS 12 1HE LYS 12 4.273 7.576 -4.723 95 2HE LYS 12 2HE LYS 12 5.802 7.041 -5.420 96 1HZ LYS 12 1HZ LYS 12 4.828 7.181 -7.613 97 2HZ LYS 12 2HZ LYS 12 4.675 8.668 -6.821 98 3HZ LYS 12 3HZ LYS 12 3.336 7.644 -6.963 99 H ARG 13 H ARG 13 4.553 4.420 -1.056 100 HA ARG 13 HA ARG 13 5.644 6.088 0.907 101 1HB ARG 13 1HB ARG 13 4.438 8.199 0.352 102 2HB ARG 13 2HB ARG 13 5.747 7.818 -0.750 103 1HG ARG 13 1HG ARG 13 4.056 6.873 -2.316 104 2HG ARG 13 2HG ARG 13 2.799 7.484 -1.241 105 1HD ARG 13 1HD ARG 13 3.277 8.989 -3.141 106 2HD ARG 13 2HD ARG 13 3.546 9.744 -1.571 107 HE ARG 13 HE ARG 13 5.963 8.649 -2.482 108 1HH1 ARG 13 1HH1 ARG 13 3.746 11.231 -3.224 109 2HH1 ARG 13 2HH1 ARG 13 4.965 12.255 -3.908 110 1HH2 ARG 13 1HH2 ARG 13 7.576 9.993 -3.375 111 2HH2 ARG 13 2HH2 ARG 13 7.141 11.551 -3.993 112 H GLY 14 H GLY 14 4.517 5.256 2.539 113 1HA GLY 14 1HA GLY 14 2.580 5.236 3.897 114 2HA GLY 14 2HA GLY 14 1.598 5.471 2.458 115 H GLU 15 H GLU 15 3.954 3.052 3.624 116 HA GLU 15 HA GLU 15 2.630 0.897 2.315 117 1HB GLU 15 1HB GLU 15 4.625 0.797 4.585 118 2HB GLU 15 2HB GLU 15 4.181 -0.545 3.543 119 1HG GLU 15 1HG GLU 15 6.223 0.183 2.714 120 2HG GLU 15 2HG GLU 15 5.037 0.886 1.623 121 H ARG 16 H ARG 16 0.901 -0.236 2.966 122 HA ARG 16 HA ARG 16 0.263 -0.327 5.824 123 1HB ARG 16 1HB ARG 16 -1.716 0.455 3.678 124 2HB ARG 16 2HB ARG 16 -2.100 0.187 5.372 125 1HG ARG 16 1HG ARG 16 -0.785 2.079 6.033 126 2HG ARG 16 2HG ARG 16 -0.192 2.295 4.385 127 1HD ARG 16 1HD ARG 16 -2.466 2.774 3.629 128 2HD ARG 16 2HD ARG 16 -3.064 2.544 5.271 129 HE ARG 16 HE ARG 16 -1.072 4.500 5.337 130 1HH1 ARG 16 1HH1 ARG 16 -4.275 4.040 4.045 131 2HH1 ARG 16 2HH1 ARG 16 -4.686 5.720 4.118 132 1HH2 ARG 16 1HH2 ARG 16 -1.603 6.715 5.435 133 2HH2 ARG 16 2HH2 ARG 16 -3.166 7.241 4.905 134 H VAL 17 H VAL 17 -1.313 -1.962 6.389 135 HA VAL 17 HA VAL 17 -1.646 -4.084 4.400 136 HB VAL 17 HB VAL 17 0.332 -4.568 5.855 137 1HG1 VAL 17 1HG1 VAL 17 -1.734 -4.767 8.039 138 2HG1 VAL 17 2HG1 VAL 17 -0.453 -3.562 7.917 139 3HG1 VAL 17 3HG1 VAL 17 -0.046 -5.258 8.172 140 1HG2 VAL 17 1HG2 VAL 17 -0.284 -6.890 6.328 141 2HG2 VAL 17 2HG2 VAL 17 -0.872 -6.370 4.749 142 3HG2 VAL 17 3HG2 VAL 17 -1.986 -6.481 6.111 143 H ARG 18 H ARG 18 -3.507 -2.175 5.219 144 HA ARG 18 HA ARG 18 -5.243 -3.145 7.255 145 1HB ARG 18 1HB ARG 18 -5.157 -0.774 6.414 146 2HB ARG 18 2HB ARG 18 -5.955 -1.325 4.948 147 1HG ARG 18 1HG ARG 18 -7.639 -0.411 6.314 148 2HG ARG 18 2HG ARG 18 -7.823 -2.162 6.420 149 1HD ARG 18 1HD ARG 18 -8.049 -1.142 8.616 150 2HD ARG 18 2HD ARG 18 -6.608 -2.157 8.546 151 HE ARG 18 HE ARG 18 -5.857 0.456 7.908 152 1HH1 ARG 18 1HH1 ARG 18 -7.075 -1.346 10.632 153 2HH1 ARG 18 2HH1 ARG 18 -6.321 -0.323 11.809 154 1HH2 ARG 18 1HH2 ARG 18 -4.860 1.805 9.450 155 2HH2 ARG 18 2HH2 ARG 18 -5.061 1.468 11.137 156 H GLY 19 H GLY 19 -5.146 -3.446 3.745 157 1HA GLY 19 1HA GLY 19 -6.982 -5.733 3.954 158 2HA GLY 19 2HA GLY 19 -7.321 -4.460 2.790 159 H THR 20 H THR 20 -5.097 -7.028 3.668 160 HA THR 20 HA THR 20 -3.165 -6.863 1.744 161 HB THR 20 HB THR 20 -3.038 -9.353 1.798 162 HG1 THR 20 1HG THR 20 -4.701 -9.926 3.736 163 1HG2 THR 20 1HG2 THR 20 -1.895 -8.038 3.500 164 2HG2 THR 20 2HG2 THR 20 -2.532 -9.525 4.202 165 3HG2 THR 20 3HG2 THR 20 -3.362 -7.994 4.476 166 H CYS 21 H CYS 21 -3.045 -7.024 -0.393 167 HA CYS 21 HA CYS 21 -5.483 -7.550 -1.893 168 1HB CYS 21 1HB CYS 21 -3.932 -5.569 -2.315 169 2HB CYS 21 2HB CYS 21 -2.807 -6.729 -3.013 170 H GLY 22 H GLY 22 -2.910 -9.320 -0.770 171 1HA GLY 22 1HA GLY 22 -3.602 -11.612 -2.305 172 2HA GLY 22 2HA GLY 22 -2.086 -10.928 -2.870 173 H ILE 23 H ILE 23 -1.308 -13.101 -2.190 174 HA ILE 23 HA ILE 23 -1.169 -13.692 0.614 175 HB ILE 23 HB ILE 23 0.399 -14.891 -1.674 176 1HG1 ILE 23 1HG1 ILE 23 -2.085 -15.928 -0.291 177 2HG1 ILE 23 2HG1 ILE 23 -2.084 -15.120 -1.855 178 1HG2 ILE 23 1HG2 ILE 23 -0.029 -15.864 1.149 179 2HG2 ILE 23 2HG2 ILE 23 1.484 -15.268 0.465 180 3HG2 ILE 23 3HG2 ILE 23 0.776 -16.769 -0.133 181 1HD1 ILE 23 1HD1 ILE 23 -0.715 -17.719 -1.198 182 2HD1 ILE 23 2HD1 ILE 23 -0.683 -16.908 -2.764 183 3HD1 ILE 23 3HD1 ILE 23 -2.205 -17.522 -2.120 184 H ARG 24 H ARG 24 1.243 -12.717 -1.823 185 HA ARG 24 HA ARG 24 3.056 -11.954 0.354 186 1HB ARG 24 1HB ARG 24 4.835 -11.977 -1.293 187 2HB ARG 24 2HB ARG 24 3.952 -13.494 -1.359 188 1HG ARG 24 1HG ARG 24 3.234 -11.271 -3.220 189 2HG ARG 24 2HG ARG 24 4.633 -12.293 -3.552 190 1HD ARG 24 1HD ARG 24 1.832 -13.304 -3.078 191 2HD ARG 24 2HD ARG 24 2.563 -13.072 -4.665 192 HE ARG 24 HE ARG 24 4.295 -14.701 -3.292 193 1HH1 ARG 24 1HH1 ARG 24 0.939 -14.829 -4.218 194 2HH1 ARG 24 2HH1 ARG 24 0.908 -16.556 -4.347 195 1HH2 ARG 24 1HH2 ARG 24 4.264 -16.974 -3.459 196 2HH2 ARG 24 2HH2 ARG 24 2.797 -17.775 -3.914 197 H PHE 25 H PHE 25 0.787 -10.616 -1.642 198 HA PHE 25 HA PHE 25 2.149 -8.118 -2.166 199 1HB PHE 25 1HB PHE 25 -0.701 -9.007 -2.635 200 2HB PHE 25 2HB PHE 25 -0.079 -7.422 -3.081 201 HD1 PHE 25 1HD PHE 25 0.149 -11.033 -3.762 202 HD2 PHE 25 2HD PHE 25 1.256 -7.120 -5.018 203 HE1 PHE 25 1HE PHE 25 0.915 -11.945 -5.915 204 HE2 PHE 25 2HE PHE 25 2.023 -8.024 -7.172 205 HZ PHE 25 HZ PHE 25 1.853 -10.440 -7.624 206 H LEU 26 H LEU 26 0.806 -6.075 -1.630 207 HA LEU 26 HA LEU 26 -0.478 -6.182 0.976 208 1HB LEU 26 1HB LEU 26 0.966 -4.446 1.921 209 2HB LEU 26 2HB LEU 26 1.858 -5.913 1.571 210 HG LEU 26 HG LEU 26 1.848 -3.601 -0.345 211 1HD1 LEU 26 1HD1 LEU 26 3.949 -2.862 0.694 212 2HD1 LEU 26 2HD1 LEU 26 3.703 -4.034 1.989 213 3HD1 LEU 26 3HD1 LEU 26 2.570 -2.699 1.780 214 1HD2 LEU 26 1HD2 LEU 26 4.007 -4.581 -1.008 215 2HD2 LEU 26 2HD2 LEU 26 2.668 -5.710 -1.211 216 3HD2 LEU 26 3HD2 LEU 26 3.761 -5.877 0.163 217 H TYR 27 H TYR 27 -0.965 -3.718 1.617 218 HA TYR 27 HA TYR 27 -2.136 -2.547 -0.815 219 1HB TYR 27 1HB TYR 27 -3.414 -3.385 1.486 220 2HB TYR 27 2HB TYR 27 -3.288 -1.643 1.709 221 HD1 TYR 27 1HD TYR 27 -5.157 -0.468 1.029 222 HD2 TYR 27 2HD TYR 27 -4.039 -3.966 -1.119 223 HE1 TYR 27 1HE TYR 27 -7.065 -0.140 -0.485 224 HE2 TYR 27 2HE TYR 27 -5.944 -3.647 -2.640 225 HH TYR 27 HH TYR 27 -8.137 -2.533 -2.637 226 H CYS 28 H CYS 28 -1.377 -0.681 -1.464 227 HA CYS 28 HA CYS 28 0.080 1.001 0.469 228 1HB CYS 28 1HB CYS 28 0.448 0.976 -2.530 229 2HB CYS 28 2HB CYS 28 1.468 1.768 -1.333 230 H CYS 29 H CYS 29 -0.617 3.028 0.810 231 HA CYS 29 HA CYS 29 -2.328 4.321 -1.164 232 1HB CYS 29 1HB CYS 29 -3.628 2.948 0.685 233 2HB CYS 29 2HB CYS 29 -3.284 4.369 1.666 234 HA PRO 30 HA PRO 30 0.024 7.915 -0.094 235 1HB PRO 30 1HB PRO 30 -2.531 9.402 -0.420 236 2HB PRO 30 2HB PRO 30 -0.968 9.664 -1.202 237 1HG PRO 30 1HG PRO 30 -2.980 8.563 -2.545 238 2HG PRO 30 2HG PRO 30 -1.319 7.980 -2.763 239 1HD PRO 30 1HD PRO 30 -3.565 6.768 -1.206 240 2HD PRO 30 2HD PRO 30 -2.326 5.976 -2.202 241 H ARG 31 H ARG 31 -0.435 10.086 1.229 242 HA ARG 31 HA ARG 31 -0.537 9.425 3.909 243 1HB ARG 31 1HB ARG 31 0.413 11.522 3.070 244 2HB ARG 31 2HB ARG 31 -1.194 12.089 2.635 245 1HG ARG 31 1HG ARG 31 -1.845 12.086 4.981 246 2HG ARG 31 2HG ARG 31 -0.249 11.480 5.430 247 1HD ARG 31 1HD ARG 31 0.771 13.509 4.503 248 2HD ARG 31 2HD ARG 31 -0.830 14.113 4.076 249 HE ARG 31 HE ARG 31 -1.142 13.760 6.676 250 1HH1 ARG 31 1HH1 ARG 31 1.544 15.140 4.936 251 2HH1 ARG 31 2HH1 ARG 31 2.000 16.201 6.228 252 1HH2 ARG 31 1HH2 ARG 31 -0.546 15.152 8.380 253 2HH2 ARG 31 2HH2 ARG 31 0.814 16.207 8.185 254 H ARG 32 H ARG 32 -3.110 11.140 2.115 255 HA ARG 32 HA ARG 32 -5.012 10.297 4.182 256 1HB ARG 32 1HB ARG 32 -4.858 12.716 3.597 257 2HB ARG 32 2HB ARG 32 -5.395 12.321 1.969 258 1HG ARG 32 1HG ARG 32 -7.510 11.499 2.850 259 2HG ARG 32 2HG ARG 32 -6.971 11.854 4.493 260 1HD ARG 32 1HD ARG 32 -7.389 13.849 2.270 261 2HD ARG 32 2HD ARG 32 -8.422 13.621 3.680 262 HE ARG 32 HE ARG 32 -6.065 14.176 4.817 263 1HH1 ARG 32 1HH1 ARG 32 -7.798 15.727 2.221 264 2HH1 ARG 32 2HH1 ARG 32 -7.161 17.302 2.565 265 1HH2 ARG 32 1HH2 ARG 32 -5.220 16.242 5.276 266 2HH2 ARG 32 2HH2 ARG 32 -5.693 17.593 4.300 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -9.910 9.894 -3.272 2 2H GLY 1 2H GLY 1 -8.354 10.375 -2.811 3 3H GLY 1 3H GLY 1 -9.680 11.373 -2.483 4 1HA GLY 1 1HA GLY 1 -8.946 10.226 -0.483 5 2HA GLY 1 2HA GLY 1 -10.580 9.771 -0.941 6 H LEU 2 H LEU 2 -10.682 7.801 -2.425 7 HA LEU 2 HA LEU 2 -8.901 5.757 -1.296 8 1HB LEU 2 1HB LEU 2 -11.530 5.732 -1.201 9 2HB LEU 2 2HB LEU 2 -11.384 5.117 -2.836 10 HG LEU 2 HG LEU 2 -10.045 3.824 -0.461 11 1HD1 LEU 2 1HD1 LEU 2 -11.854 2.171 -0.542 12 2HD1 LEU 2 2HD1 LEU 2 -12.680 3.143 -1.760 13 3HD1 LEU 2 3HD1 LEU 2 -12.452 3.779 -0.130 14 1HD2 LEU 2 1HD2 LEU 2 -9.897 1.891 -1.971 15 2HD2 LEU 2 2HD2 LEU 2 -9.029 3.290 -2.603 16 3HD2 LEU 2 3HD2 LEU 2 -10.606 2.858 -3.265 17 H LEU 3 H LEU 3 -7.197 6.341 -2.780 18 HA LEU 3 HA LEU 3 -7.526 5.004 -5.368 19 1HB LEU 3 1HB LEU 3 -6.259 7.716 -4.969 20 2HB LEU 3 2HB LEU 3 -6.188 6.791 -6.456 21 HG LEU 3 HG LEU 3 -8.740 7.799 -5.195 22 1HD1 LEU 3 1HD1 LEU 3 -8.755 9.441 -7.012 23 2HD1 LEU 3 2HD1 LEU 3 -7.160 8.888 -7.521 24 3HD1 LEU 3 3HD1 LEU 3 -7.367 9.656 -5.947 25 1HD2 LEU 3 1HD2 LEU 3 -9.045 5.800 -6.557 26 2HD2 LEU 3 2HD2 LEU 3 -8.188 6.568 -7.894 27 3HD2 LEU 3 3HD2 LEU 3 -9.737 7.214 -7.351 28 H CYS 4 H CYS 4 -6.443 3.442 -3.778 29 HA CYS 4 HA CYS 4 -3.587 3.938 -3.446 30 1HB CYS 4 1HB CYS 4 -5.084 1.468 -2.582 31 2HB CYS 4 2HB CYS 4 -3.563 2.096 -1.956 32 H TYR 5 H TYR 5 -2.267 1.756 -3.746 33 HA TYR 5 HA TYR 5 -3.017 0.477 -6.275 34 1HB TYR 5 1HB TYR 5 -0.310 1.710 -5.716 35 2HB TYR 5 2HB TYR 5 -0.729 0.765 -7.142 36 HD1 TYR 5 1HD TYR 5 -2.198 1.700 -8.865 37 HD2 TYR 5 2HD TYR 5 -1.042 3.996 -5.475 38 HE1 TYR 5 1HE TYR 5 -2.942 3.748 -10.005 39 HE2 TYR 5 2HE TYR 5 -1.783 6.050 -6.606 40 HH TYR 5 HH TYR 5 -2.180 6.870 -8.860 41 H CYS 6 H CYS 6 -2.369 -1.629 -6.482 42 HA CYS 6 HA CYS 6 -1.528 -2.959 -4.060 43 1HB CYS 6 1HB CYS 6 -2.055 -4.143 -6.795 44 2HB CYS 6 2HB CYS 6 -1.960 -5.019 -5.271 45 H ARG 7 H ARG 7 0.513 -3.385 -3.536 46 HA ARG 7 HA ARG 7 2.485 -3.703 -5.705 47 1HB ARG 7 1HB ARG 7 2.846 -2.235 -3.091 48 2HB ARG 7 2HB ARG 7 4.168 -2.657 -4.169 49 1HG ARG 7 1HG ARG 7 3.037 -1.321 -5.950 50 2HG ARG 7 2HG ARG 7 1.882 -0.783 -4.726 51 1HD ARG 7 1HD ARG 7 3.704 0.165 -3.413 52 2HD ARG 7 2HD ARG 7 4.872 -0.395 -4.608 53 HE ARG 7 HE ARG 7 2.845 1.692 -5.078 54 1HH1 ARG 7 1HH1 ARG 7 5.903 0.182 -5.814 55 2HH1 ARG 7 2HH1 ARG 7 6.386 1.415 -6.927 56 1HH2 ARG 7 1HH2 ARG 7 3.479 3.316 -6.543 57 2HH2 ARG 7 2HH2 ARG 7 5.011 3.196 -7.341 58 H LYS 8 H LYS 8 4.662 -4.509 -4.448 59 HA LYS 8 HA LYS 8 3.951 -6.641 -2.579 60 1HB LYS 8 1HB LYS 8 3.837 -7.579 -4.890 61 2HB LYS 8 2HB LYS 8 5.532 -7.158 -5.103 62 1HG LYS 8 1HG LYS 8 6.147 -8.659 -3.287 63 2HG LYS 8 2HG LYS 8 4.448 -9.066 -3.039 64 1HD LYS 8 1HD LYS 8 5.462 -10.813 -4.331 65 2HD LYS 8 2HD LYS 8 4.374 -9.907 -5.383 66 1HE LYS 8 1HE LYS 8 6.272 -8.669 -6.291 67 2HE LYS 8 2HE LYS 8 7.365 -9.546 -5.221 68 1HZ LYS 8 1HZ LYS 8 6.751 -11.600 -6.335 69 2HZ LYS 8 2HZ LYS 8 7.365 -10.483 -7.446 70 3HZ LYS 8 3HZ LYS 8 5.699 -10.760 -7.359 71 H GLY 9 H GLY 9 5.434 -6.898 -1.018 72 1HA GLY 9 1HA GLY 9 7.682 -7.067 -0.226 73 2HA GLY 9 2HA GLY 9 8.180 -5.974 -1.509 74 H HIS 10 H HIS 10 7.241 -3.719 -1.345 75 HA HIS 10 HA HIS 10 6.417 -2.775 1.221 76 1HB HIS 10 1HB HIS 10 8.956 -3.217 1.409 77 2HB HIS 10 2HB HIS 10 9.136 -1.808 0.368 78 HD1 HIS 10 1HD HIS 10 8.015 -2.809 3.808 79 HD2 HIS 10 2HD HIS 10 8.720 0.644 1.607 80 HE1 HIS 10 1HE HIS 10 7.947 -0.925 5.473 81 HE2 HIS 10 2HE HIS 10 8.448 1.146 4.130 82 H CYS 11 H CYS 11 5.786 -0.585 1.184 83 HA CYS 11 HA CYS 11 5.342 0.442 -1.507 84 1HB CYS 11 1HB CYS 11 4.305 1.620 1.067 85 2HB CYS 11 2HB CYS 11 3.670 1.841 -0.558 86 H LYS 12 H LYS 12 5.962 2.473 -2.211 87 HA LYS 12 HA LYS 12 8.332 3.543 -0.922 88 1HB LYS 12 1HB LYS 12 8.701 4.765 -2.926 89 2HB LYS 12 2HB LYS 12 8.133 3.177 -3.419 90 1HG LYS 12 1HG LYS 12 5.884 4.096 -3.755 91 2HG LYS 12 2HG LYS 12 6.480 5.693 -3.292 92 1HD LYS 12 1HD LYS 12 8.051 5.638 -5.180 93 2HD LYS 12 2HD LYS 12 7.424 4.055 -5.646 94 1HE LYS 12 1HE LYS 12 5.200 5.048 -5.965 95 2HE LYS 12 2HE LYS 12 5.852 6.628 -5.534 96 1HZ LYS 12 1HZ LYS 12 5.724 6.394 -7.916 97 2HZ LYS 12 2HZ LYS 12 6.652 4.981 -7.872 98 3HZ LYS 12 3HZ LYS 12 7.348 6.462 -7.447 99 H ARG 13 H ARG 13 4.998 4.168 -1.002 100 HA ARG 13 HA ARG 13 5.338 6.527 0.630 101 1HB ARG 13 1HB ARG 13 5.138 6.978 -2.045 102 2HB ARG 13 2HB ARG 13 3.444 7.003 -1.581 103 1HG ARG 13 1HG ARG 13 4.229 9.234 -1.495 104 2HG ARG 13 2HG ARG 13 4.044 8.690 0.173 105 1HD ARG 13 1HD ARG 13 6.419 8.289 0.347 106 2HD ARG 13 2HD ARG 13 6.643 8.681 -1.358 107 HE ARG 13 HE ARG 13 5.448 10.828 0.096 108 1HH1 ARG 13 1HH1 ARG 13 8.481 9.266 -0.617 109 2HH1 ARG 13 2HH1 ARG 13 9.426 10.689 -0.336 110 1HH2 ARG 13 1HH2 ARG 13 6.686 12.707 0.467 111 2HH2 ARG 13 2HH2 ARG 13 8.407 12.645 0.280 112 H GLY 14 H GLY 14 4.031 6.140 2.288 113 1HA GLY 14 1HA GLY 14 2.130 5.655 3.485 114 2HA GLY 14 2HA GLY 14 1.236 5.772 1.977 115 H GLU 15 H GLU 15 3.229 3.608 3.937 116 HA GLU 15 HA GLU 15 2.293 1.288 2.447 117 1HB GLU 15 1HB GLU 15 3.886 0.967 4.938 118 2HB GLU 15 2HB GLU 15 4.000 0.099 3.416 119 1HG GLU 15 1HG GLU 15 5.974 1.277 3.460 120 2HG GLU 15 2HG GLU 15 4.939 2.325 2.491 121 H ARG 16 H ARG 16 0.808 -0.180 3.190 122 HA ARG 16 HA ARG 16 -0.027 -0.221 5.933 123 1HB ARG 16 1HB ARG 16 -1.197 1.794 4.947 124 2HB ARG 16 2HB ARG 16 -2.081 0.678 3.916 125 1HG ARG 16 1HG ARG 16 -3.562 0.968 5.634 126 2HG ARG 16 2HG ARG 16 -2.698 -0.470 6.177 127 1HD ARG 16 1HD ARG 16 -2.056 2.353 7.021 128 2HD ARG 16 2HD ARG 16 -3.021 1.218 7.962 129 HE ARG 16 HE ARG 16 -0.315 0.411 7.234 130 1HH1 ARG 16 1HH1 ARG 16 -2.518 1.594 9.658 131 2HH1 ARG 16 2HH1 ARG 16 -1.478 1.191 10.983 132 1HH2 ARG 16 1HH2 ARG 16 1.062 -0.121 8.971 133 2HH2 ARG 16 2HH2 ARG 16 0.556 0.216 10.593 134 H VAL 17 H VAL 17 -1.412 -1.940 6.446 135 HA VAL 17 HA VAL 17 -1.923 -3.848 4.265 136 HB VAL 17 HB VAL 17 -1.180 -4.760 7.034 137 1HG1 VAL 17 1HG1 VAL 17 -1.052 -6.107 4.339 138 2HG1 VAL 17 2HG1 VAL 17 -2.299 -6.357 5.559 139 3HG1 VAL 17 3HG1 VAL 17 -0.636 -6.842 5.887 140 1HG2 VAL 17 1HG2 VAL 17 0.685 -3.407 6.252 141 2HG2 VAL 17 2HG2 VAL 17 0.713 -4.299 4.730 142 3HG2 VAL 17 3HG2 VAL 17 1.114 -5.117 6.241 143 H ARG 18 H ARG 18 -3.825 -2.065 5.073 144 HA ARG 18 HA ARG 18 -5.542 -3.347 7.038 145 1HB ARG 18 1HB ARG 18 -5.331 -0.868 6.929 146 2HB ARG 18 2HB ARG 18 -6.070 -0.903 5.334 147 1HG ARG 18 1HG ARG 18 -7.736 -0.295 6.931 148 2HG ARG 18 2HG ARG 18 -8.091 -1.923 6.349 149 1HD ARG 18 1HD ARG 18 -7.014 -2.849 8.363 150 2HD ARG 18 2HD ARG 18 -6.734 -1.211 8.948 151 HE ARG 18 HE ARG 18 -9.430 -1.344 8.491 152 1HH1 ARG 18 1HH1 ARG 18 -7.144 -3.132 10.421 153 2HH1 ARG 18 2HH1 ARG 18 -8.301 -3.541 11.644 154 1HH2 ARG 18 1HH2 ARG 18 -10.959 -1.878 10.097 155 2HH2 ARG 18 2HH2 ARG 18 -10.469 -2.828 11.460 156 H GLY 19 H GLY 19 -5.204 -3.026 3.601 157 1HA GLY 19 1HA GLY 19 -7.439 -4.905 3.251 158 2HA GLY 19 2HA GLY 19 -7.356 -3.458 2.256 159 H THR 20 H THR 20 -5.458 -6.310 3.186 160 HA THR 20 HA THR 20 -3.451 -6.260 1.348 161 HB THR 20 HB THR 20 -3.529 -8.005 2.999 162 HG1 THR 20 1HG THR 20 -2.599 -8.408 0.790 163 1HG2 THR 20 1HG2 THR 20 -5.909 -9.103 1.497 164 2HG2 THR 20 2HG2 THR 20 -5.959 -8.327 3.079 165 3HG2 THR 20 3HG2 THR 20 -5.116 -9.862 2.877 166 H CYS 21 H CYS 21 -3.193 -6.552 -0.780 167 HA CYS 21 HA CYS 21 -5.608 -6.921 -2.395 168 1HB CYS 21 1HB CYS 21 -4.098 -4.916 -2.711 169 2HB CYS 21 2HB CYS 21 -2.877 -6.024 -3.326 170 H GLY 22 H GLY 22 -3.780 -9.033 -1.055 171 1HA GLY 22 1HA GLY 22 -4.175 -11.115 -2.820 172 2HA GLY 22 2HA GLY 22 -2.584 -10.480 -3.208 173 H ILE 23 H ILE 23 -1.518 -12.354 -2.563 174 HA ILE 23 HA ILE 23 -1.825 -13.264 0.187 175 HB ILE 23 HB ILE 23 -0.039 -14.318 -2.012 176 1HG1 ILE 23 1HG1 ILE 23 -2.622 -15.459 -0.925 177 2HG1 ILE 23 2HG1 ILE 23 -2.504 -14.533 -2.417 178 1HG2 ILE 23 1HG2 ILE 23 -0.719 -15.479 0.688 179 2HG2 ILE 23 2HG2 ILE 23 0.843 -14.822 0.199 180 3HG2 ILE 23 3HG2 ILE 23 0.223 -16.284 -0.569 181 1HD1 ILE 23 1HD1 ILE 23 -1.000 -16.239 -3.334 182 2HD1 ILE 23 2HD1 ILE 23 -2.572 -16.900 -2.887 183 3HD1 ILE 23 3HD1 ILE 23 -1.174 -17.171 -1.847 184 H ARG 24 H ARG 24 1.047 -12.632 -1.832 185 HA ARG 24 HA ARG 24 2.491 -11.774 0.552 186 1HB ARG 24 1HB ARG 24 4.489 -11.872 -0.876 187 2HB ARG 24 2HB ARG 24 3.595 -13.385 -0.906 188 1HG ARG 24 1HG ARG 24 2.558 -12.639 -3.053 189 2HG ARG 24 2HG ARG 24 3.663 -11.262 -3.035 190 1HD ARG 24 1HD ARG 24 4.559 -13.039 -4.423 191 2HD ARG 24 2HD ARG 24 5.569 -12.810 -2.996 192 HE ARG 24 HE ARG 24 3.612 -14.826 -2.565 193 1HH1 ARG 24 1HH1 ARG 24 6.670 -14.215 -4.124 194 2HH1 ARG 24 2HH1 ARG 24 7.179 -15.869 -4.058 195 1HH2 ARG 24 1HH2 ARG 24 4.275 -17.004 -2.475 196 2HH2 ARG 24 2HH2 ARG 24 5.819 -17.454 -3.121 197 H PHE 25 H PHE 25 0.509 -10.319 -1.548 198 HA PHE 25 HA PHE 25 2.081 -7.938 -2.077 199 1HB PHE 25 1HB PHE 25 -0.847 -8.495 -2.608 200 2HB PHE 25 2HB PHE 25 0.069 -7.118 -3.212 201 HD1 PHE 25 1HD PHE 25 -0.679 -10.643 -3.623 202 HD2 PHE 25 2HD PHE 25 1.791 -7.435 -4.933 203 HE1 PHE 25 1HE PHE 25 -0.049 -11.946 -5.614 204 HE2 PHE 25 2HE PHE 25 2.424 -8.731 -6.926 205 HZ PHE 25 HZ PHE 25 1.504 -10.989 -7.268 206 H LEU 26 H LEU 26 0.703 -5.806 -1.679 207 HA LEU 26 HA LEU 26 -0.684 -5.789 0.854 208 1HB LEU 26 1HB LEU 26 0.824 -4.200 1.930 209 2HB LEU 26 2HB LEU 26 1.623 -5.725 1.611 210 HG LEU 26 HG LEU 26 1.935 -3.339 -0.197 211 1HD1 LEU 26 1HD1 LEU 26 2.651 -2.671 2.018 212 2HD1 LEU 26 2HD1 LEU 26 4.050 -2.902 0.969 213 3HD1 LEU 26 3HD1 LEU 26 3.633 -4.129 2.164 214 1HD2 LEU 26 1HD2 LEU 26 2.572 -5.438 -1.199 215 2HD2 LEU 26 2HD2 LEU 26 3.537 -5.860 0.217 216 3HD2 LEU 26 3HD2 LEU 26 4.024 -4.515 -0.815 217 H TYR 27 H TYR 27 -1.129 -3.381 1.488 218 HA TYR 27 HA TYR 27 -2.095 -2.119 -0.975 219 1HB TYR 27 1HB TYR 27 -3.418 -2.776 1.357 220 2HB TYR 27 2HB TYR 27 -3.136 -1.049 1.538 221 HD1 TYR 27 1HD TYR 27 -4.038 -3.277 -1.321 222 HD2 TYR 27 2HD TYR 27 -4.991 0.190 0.952 223 HE1 TYR 27 1HE TYR 27 -5.942 -2.828 -2.815 224 HE2 TYR 27 2HE TYR 27 -6.896 0.650 -0.534 225 HH TYR 27 HH TYR 27 -8.065 -1.627 -2.783 226 H CYS 28 H CYS 28 -1.224 -0.319 -1.679 227 HA CYS 28 HA CYS 28 0.332 1.338 0.199 228 1HB CYS 28 1HB CYS 28 0.870 1.004 -2.757 229 2HB CYS 28 2HB CYS 28 1.875 1.848 -1.581 230 H CYS 29 H CYS 29 -0.950 3.032 0.638 231 HA CYS 29 HA CYS 29 -2.442 4.280 -1.558 232 1HB CYS 29 1HB CYS 29 -2.703 4.733 1.421 233 2HB CYS 29 2HB CYS 29 -3.756 5.387 0.171 234 HA PRO 30 HA PRO 30 0.207 7.790 -1.904 235 1HB PRO 30 1HB PRO 30 -2.245 9.466 -1.806 236 2HB PRO 30 2HB PRO 30 -0.979 9.392 -3.037 237 1HG PRO 30 1HG PRO 30 -3.373 8.304 -3.471 238 2HG PRO 30 2HG PRO 30 -1.892 7.520 -4.052 239 1HD PRO 30 1HD PRO 30 -3.605 6.836 -1.700 240 2HD PRO 30 2HD PRO 30 -2.754 5.762 -2.829 241 H ARG 31 H ARG 31 0.406 10.122 -0.944 242 HA ARG 31 HA ARG 31 0.749 9.862 1.840 243 1HB ARG 31 1HB ARG 31 0.742 12.340 0.109 244 2HB ARG 31 2HB ARG 31 1.295 12.285 1.777 245 1HG ARG 31 1HG ARG 31 3.048 10.703 1.145 246 2HG ARG 31 2HG ARG 31 2.496 10.768 -0.530 247 1HD ARG 31 1HD ARG 31 3.490 13.129 1.063 248 2HD ARG 31 2HD ARG 31 4.451 12.217 -0.101 249 HE ARG 31 HE ARG 31 2.639 12.933 -1.743 250 1HH1 ARG 31 1HH1 ARG 31 3.610 14.832 1.014 251 2HH1 ARG 31 2HH1 ARG 31 3.194 16.345 0.279 252 1HH2 ARG 31 1HH2 ARG 31 2.094 14.920 -2.718 253 2HH2 ARG 31 2HH2 ARG 31 2.333 16.395 -1.842 254 H ARG 32 H ARG 32 -1.202 9.338 2.814 255 HA ARG 32 HA ARG 32 -3.397 11.261 2.597 256 1HB ARG 32 1HB ARG 32 -3.282 8.533 3.897 257 2HB ARG 32 2HB ARG 32 -4.712 9.554 3.822 258 1HG ARG 32 1HG ARG 32 -3.246 8.499 1.414 259 2HG ARG 32 2HG ARG 32 -4.677 7.752 2.127 260 1HD ARG 32 1HD ARG 32 -4.535 10.563 1.041 261 2HD ARG 32 2HD ARG 32 -5.214 9.178 0.187 262 HE ARG 32 HE ARG 32 -6.593 9.227 2.521 263 1HH1 ARG 32 1HH1 ARG 32 -5.949 11.607 0.058 264 2HH1 ARG 32 2HH1 ARG 32 -7.440 12.453 0.305 265 1HH2 ARG 32 1HH2 ARG 32 -8.557 10.334 2.853 266 2HH2 ARG 32 2HH2 ARG 32 -8.922 11.729 1.893 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -9.006 13.140 -3.893 2 2H GLY 1 2H GLY 1 -9.315 14.069 -5.273 3 3H GLY 1 3H GLY 1 -7.729 13.889 -4.714 4 1HA GLY 1 1HA GLY 1 -9.447 11.737 -5.823 5 2HA GLY 1 2HA GLY 1 -8.094 12.499 -6.646 6 H LEU 2 H LEU 2 -8.791 10.888 -3.544 7 HA LEU 2 HA LEU 2 -6.135 9.633 -3.700 8 1HB LEU 2 1HB LEU 2 -7.946 9.979 -1.307 9 2HB LEU 2 2HB LEU 2 -6.348 9.259 -1.285 10 HG LEU 2 HG LEU 2 -6.944 12.138 -1.979 11 1HD1 LEU 2 1HD1 LEU 2 -7.363 11.680 0.371 12 2HD1 LEU 2 2HD1 LEU 2 -5.900 12.644 0.177 13 3HD1 LEU 2 3HD1 LEU 2 -5.778 10.919 0.521 14 1HD2 LEU 2 1HD2 LEU 2 -4.322 10.699 -1.581 15 2HD2 LEU 2 2HD2 LEU 2 -4.518 12.432 -1.844 16 3HD2 LEU 2 3HD2 LEU 2 -4.959 11.293 -3.114 17 H LEU 3 H LEU 3 -5.924 7.454 -3.741 18 HA LEU 3 HA LEU 3 -8.122 5.708 -3.065 19 1HB LEU 3 1HB LEU 3 -8.551 6.458 -5.435 20 2HB LEU 3 2HB LEU 3 -7.058 5.658 -5.887 21 HG LEU 3 HG LEU 3 -8.039 3.514 -5.006 22 1HD1 LEU 3 1HD1 LEU 3 -10.560 5.166 -4.934 23 2HD1 LEU 3 2HD1 LEU 3 -9.731 4.462 -3.546 24 3HD1 LEU 3 3HD1 LEU 3 -10.473 3.414 -4.755 25 1HD2 LEU 3 1HD2 LEU 3 -7.971 3.973 -7.382 26 2HD2 LEU 3 2HD2 LEU 3 -9.467 4.903 -7.272 27 3HD2 LEU 3 3HD2 LEU 3 -9.484 3.164 -6.970 28 H CYS 4 H CYS 4 -7.441 3.690 -2.505 29 HA CYS 4 HA CYS 4 -4.609 3.304 -2.195 30 1HB CYS 4 1HB CYS 4 -6.772 1.283 -1.614 31 2HB CYS 4 2HB CYS 4 -5.175 1.400 -0.883 32 H TYR 5 H TYR 5 -3.314 1.756 -3.171 33 HA TYR 5 HA TYR 5 -4.511 0.277 -5.419 34 1HB TYR 5 1HB TYR 5 -1.862 1.739 -5.434 35 2HB TYR 5 2HB TYR 5 -2.469 0.722 -6.737 36 HD1 TYR 5 1HD TYR 5 -2.292 4.020 -5.479 37 HD2 TYR 5 2HD TYR 5 -4.784 1.409 -7.732 38 HE1 TYR 5 1HE TYR 5 -3.432 5.965 -6.460 39 HE2 TYR 5 2HE TYR 5 -5.931 3.348 -8.720 40 HH TYR 5 HH TYR 5 -4.739 6.511 -8.473 41 H CYS 6 H CYS 6 -3.501 -1.682 -5.992 42 HA CYS 6 HA CYS 6 -2.376 -3.112 -3.777 43 1HB CYS 6 1HB CYS 6 -3.879 -4.310 -5.199 44 2HB CYS 6 2HB CYS 6 -2.966 -3.875 -6.639 45 H ARG 7 H ARG 7 -0.290 -3.500 -3.334 46 HA ARG 7 HA ARG 7 1.701 -3.020 -5.445 47 1HB ARG 7 1HB ARG 7 1.835 -2.050 -2.588 48 2HB ARG 7 2HB ARG 7 3.184 -2.003 -3.712 49 1HG ARG 7 1HG ARG 7 0.557 -0.607 -4.159 50 2HG ARG 7 2HG ARG 7 1.989 0.153 -3.464 51 1HD ARG 7 1HD ARG 7 3.238 -0.328 -5.506 52 2HD ARG 7 2HD ARG 7 1.816 -1.109 -6.196 53 HE ARG 7 HE ARG 7 1.726 1.724 -5.423 54 1HH1 ARG 7 1HH1 ARG 7 1.478 -0.777 -7.835 55 2HH1 ARG 7 2HH1 ARG 7 0.852 0.283 -9.054 56 1HH2 ARG 7 1HH2 ARG 7 0.903 3.126 -7.019 57 2HH2 ARG 7 2HH2 ARG 7 0.524 2.502 -8.590 58 H LYS 8 H LYS 8 3.980 -3.694 -4.366 59 HA LYS 8 HA LYS 8 3.647 -6.521 -3.708 60 1HB LYS 8 1HB LYS 8 5.329 -5.228 -5.440 61 2HB LYS 8 2HB LYS 8 6.371 -5.480 -4.047 62 1HG LYS 8 1HG LYS 8 5.914 -7.876 -4.121 63 2HG LYS 8 2HG LYS 8 4.834 -7.631 -5.493 64 1HD LYS 8 1HD LYS 8 6.663 -6.854 -6.857 65 2HD LYS 8 2HD LYS 8 7.764 -6.918 -5.479 66 1HE LYS 8 1HE LYS 8 6.347 -9.289 -6.691 67 2HE LYS 8 2HE LYS 8 8.026 -8.846 -6.992 68 1HZ LYS 8 1HZ LYS 8 6.886 -9.565 -4.345 69 2HZ LYS 8 2HZ LYS 8 8.500 -9.168 -4.650 70 3HZ LYS 8 3HZ LYS 8 7.837 -10.576 -5.310 71 H GLY 9 H GLY 9 6.026 -7.026 -2.470 72 1HA GLY 9 1HA GLY 9 5.571 -6.917 0.181 73 2HA GLY 9 2HA GLY 9 7.195 -6.894 -0.480 74 H HIS 10 H HIS 10 6.944 -4.265 -1.702 75 HA HIS 10 HA HIS 10 6.522 -2.527 0.606 76 1HB HIS 10 1HB HIS 10 8.713 -1.380 0.119 77 2HB HIS 10 2HB HIS 10 8.849 -2.996 0.807 78 HD1 HIS 10 1HD HIS 10 8.893 -4.880 -1.359 79 HD2 HIS 10 2HD HIS 10 10.518 -1.091 -1.860 80 HE1 HIS 10 1HE HIS 10 10.460 -5.076 -3.302 81 HE2 HIS 10 2HE HIS 10 11.354 -2.748 -3.662 82 H CYS 11 H CYS 11 5.522 -0.690 0.088 83 HA CYS 11 HA CYS 11 5.031 -0.106 -2.710 84 1HB CYS 11 1HB CYS 11 3.174 -0.004 -1.085 85 2HB CYS 11 2HB CYS 11 4.010 1.276 -0.217 86 H LYS 12 H LYS 12 5.051 2.324 -3.293 87 HA LYS 12 HA LYS 12 7.748 3.242 -2.977 88 1HB LYS 12 1HB LYS 12 7.032 5.104 -4.452 89 2HB LYS 12 2HB LYS 12 6.675 3.518 -5.120 90 1HG LYS 12 1HG LYS 12 4.347 3.741 -4.419 91 2HG LYS 12 2HG LYS 12 4.705 5.331 -3.744 92 1HD LYS 12 1HD LYS 12 3.728 5.682 -5.887 93 2HD LYS 12 2HD LYS 12 5.451 6.030 -6.039 94 1HE LYS 12 1HE LYS 12 4.688 4.733 -7.941 95 2HE LYS 12 2HE LYS 12 5.808 3.783 -6.965 96 1HZ LYS 12 1HZ LYS 12 2.846 3.569 -6.892 97 2HZ LYS 12 2HZ LYS 12 3.923 2.652 -5.964 98 3HZ LYS 12 3HZ LYS 12 3.895 2.476 -7.646 99 H ARG 13 H ARG 13 4.712 3.910 -1.490 100 HA ARG 13 HA ARG 13 5.865 5.371 0.612 101 1HB ARG 13 1HB ARG 13 4.888 7.590 0.178 102 2HB ARG 13 2HB ARG 13 6.106 7.158 -1.008 103 1HG ARG 13 1HG ARG 13 4.395 6.607 -2.620 104 2HG ARG 13 2HG ARG 13 3.134 6.927 -1.429 105 1HD ARG 13 1HD ARG 13 5.120 8.947 -2.463 106 2HD ARG 13 2HD ARG 13 3.445 8.800 -2.994 107 HE ARG 13 HE ARG 13 3.132 9.144 -0.368 108 1HH1 ARG 13 1HH1 ARG 13 5.135 10.833 -2.666 109 2HH1 ARG 13 2HH1 ARG 13 5.054 12.342 -1.820 110 1HH2 ARG 13 1HH2 ARG 13 3.021 11.124 0.752 111 2HH2 ARG 13 2HH2 ARG 13 3.854 12.508 0.124 112 H GLY 14 H GLY 14 4.564 5.187 2.327 113 1HA GLY 14 1HA GLY 14 2.622 5.030 3.574 114 2HA GLY 14 2HA GLY 14 1.701 5.358 2.115 115 H GLU 15 H GLU 15 3.634 2.793 3.646 116 HA GLU 15 HA GLU 15 2.141 0.765 2.185 117 1HB GLU 15 1HB GLU 15 4.325 0.360 4.233 118 2HB GLU 15 2HB GLU 15 3.718 -0.822 3.083 119 1HG GLU 15 1HG GLU 15 5.720 -0.142 2.150 120 2HG GLU 15 2HG GLU 15 4.524 0.817 1.280 121 H ARG 16 H ARG 16 0.468 -0.333 3.003 122 HA ARG 16 HA ARG 16 0.099 -0.389 5.915 123 1HB ARG 16 1HB ARG 16 -2.040 0.325 3.902 124 2HB ARG 16 2HB ARG 16 -2.313 0.067 5.620 125 1HG ARG 16 1HG ARG 16 -0.966 1.974 6.177 126 2HG ARG 16 2HG ARG 16 -0.501 2.187 4.489 127 1HD ARG 16 1HD ARG 16 -2.818 2.656 3.900 128 2HD ARG 16 2HD ARG 16 -3.306 2.405 5.575 129 HE ARG 16 HE ARG 16 -1.322 4.392 5.481 130 1HH1 ARG 16 1HH1 ARG 16 -4.654 3.879 4.595 131 2HH1 ARG 16 2HH1 ARG 16 -5.085 5.549 4.750 132 1HH2 ARG 16 1HH2 ARG 16 -1.882 6.590 5.685 133 2HH2 ARG 16 2HH2 ARG 16 -3.510 7.090 5.370 134 H VAL 17 H VAL 17 -1.489 -2.034 6.617 135 HA VAL 17 HA VAL 17 -1.742 -4.258 4.709 136 HB VAL 17 HB VAL 17 -1.062 -4.751 7.596 137 1HG1 VAL 17 1HG1 VAL 17 -0.376 -6.932 6.771 138 2HG1 VAL 17 2HG1 VAL 17 -0.736 -6.438 5.116 139 3HG1 VAL 17 3HG1 VAL 17 -2.039 -6.589 6.295 140 1HG2 VAL 17 1HG2 VAL 17 0.771 -3.432 6.756 141 2HG2 VAL 17 2HG2 VAL 17 0.867 -4.422 5.301 142 3HG2 VAL 17 3HG2 VAL 17 1.281 -5.117 6.868 143 H ARG 18 H ARG 18 -3.850 -2.641 5.089 144 HA ARG 18 HA ARG 18 -5.530 -3.716 7.206 145 1HB ARG 18 1HB ARG 18 -5.690 -1.337 6.792 146 2HB ARG 18 2HB ARG 18 -6.036 -1.615 5.090 147 1HG ARG 18 1HG ARG 18 -8.051 -1.013 6.292 148 2HG ARG 18 2HG ARG 18 -8.159 -2.667 5.689 149 1HD ARG 18 1HD ARG 18 -7.481 -3.474 7.938 150 2HD ARG 18 2HD ARG 18 -7.524 -1.807 8.510 151 HE ARG 18 HE ARG 18 -9.996 -2.348 7.360 152 1HH1 ARG 18 1HH1 ARG 18 -8.087 -3.452 10.059 153 2HH1 ARG 18 2HH1 ARG 18 -9.463 -3.879 11.022 154 1HH2 ARG 18 1HH2 ARG 18 -11.812 -2.911 8.620 155 2HH2 ARG 18 2HH2 ARG 18 -11.579 -3.573 10.203 156 H GLY 19 H GLY 19 -5.031 -4.020 3.788 157 1HA GLY 19 1HA GLY 19 -6.884 -6.276 3.726 158 2HA GLY 19 2HA GLY 19 -7.194 -4.958 2.602 159 H THR 20 H THR 20 -4.915 -7.468 3.521 160 HA THR 20 HA THR 20 -2.866 -7.135 1.755 161 HB THR 20 HB THR 20 -2.566 -9.578 1.748 162 HG1 THR 20 1HG THR 20 -4.690 -10.105 3.410 163 1HG2 THR 20 1HG2 THR 20 -2.399 -9.898 4.175 164 2HG2 THR 20 2HG2 THR 20 -3.417 -8.481 4.432 165 3HG2 THR 20 3HG2 THR 20 -1.823 -8.302 3.697 166 H CYS 21 H CYS 21 -2.489 -7.389 -0.370 167 HA CYS 21 HA CYS 21 -4.777 -7.632 -2.120 168 1HB CYS 21 1HB CYS 21 -3.088 -5.905 -2.536 169 2HB CYS 21 2HB CYS 21 -1.856 -7.145 -2.739 170 H GLY 22 H GLY 22 -2.195 -9.639 -1.003 171 1HA GLY 22 1HA GLY 22 -3.307 -11.962 -2.180 172 2HA GLY 22 2HA GLY 22 -1.915 -11.439 -3.115 173 H ILE 23 H ILE 23 -0.305 -12.793 -2.645 174 HA ILE 23 HA ILE 23 -0.009 -13.925 -0.001 175 HB ILE 23 HB ILE 23 1.660 -14.228 -2.503 176 1HG1 ILE 23 1HG1 ILE 23 0.763 -16.622 -2.269 177 2HG1 ILE 23 2HG1 ILE 23 -0.397 -15.953 -1.128 178 1HG2 ILE 23 1HG2 ILE 23 3.112 -14.481 -0.594 179 2HG2 ILE 23 2HG2 ILE 23 2.802 -16.063 -1.307 180 3HG2 ILE 23 3HG2 ILE 23 1.970 -15.584 0.172 181 1HD1 ILE 23 1HD1 ILE 23 -1.361 -14.573 -2.817 182 2HD1 ILE 23 2HD1 ILE 23 -1.254 -16.219 -3.442 183 3HD1 ILE 23 3HD1 ILE 23 -0.090 -15.002 -3.962 184 H ARG 24 H ARG 24 2.494 -12.469 -2.070 185 HA ARG 24 HA ARG 24 3.706 -11.305 0.321 186 1HB ARG 24 1HB ARG 24 5.684 -10.953 -1.078 187 2HB ARG 24 2HB ARG 24 5.159 -12.629 -1.136 188 1HG ARG 24 1HG ARG 24 3.948 -12.004 -3.288 189 2HG ARG 24 2HG ARG 24 4.901 -10.517 -3.250 190 1HD ARG 24 1HD ARG 24 5.958 -12.250 -4.631 191 2HD ARG 24 2HD ARG 24 6.958 -11.806 -3.248 192 HE ARG 24 HE ARG 24 5.228 -14.144 -2.989 193 1HH1 ARG 24 1HH1 ARG 24 8.428 -12.836 -3.432 194 2HH1 ARG 24 2HH1 ARG 24 9.228 -14.307 -2.990 195 1HH2 ARG 24 1HH2 ARG 24 6.274 -16.082 -2.404 196 2HH2 ARG 24 2HH2 ARG 24 8.005 -16.150 -2.404 197 H PHE 25 H PHE 25 1.349 -10.354 -1.521 198 HA PHE 25 HA PHE 25 2.325 -7.657 -2.105 199 1HB PHE 25 1HB PHE 25 -0.337 -8.937 -2.769 200 2HB PHE 25 2HB PHE 25 0.221 -7.362 -3.322 201 HD1 PHE 25 1HD PHE 25 0.479 -10.966 -3.751 202 HD2 PHE 25 2HD PHE 25 1.966 -7.184 -5.013 203 HE1 PHE 25 1HE PHE 25 1.495 -12.028 -5.723 204 HE2 PHE 25 2HE PHE 25 2.986 -8.239 -6.988 205 HZ PHE 25 HZ PHE 25 2.751 -10.664 -7.346 206 H LEU 26 H LEU 26 1.346 -5.811 -1.259 207 HA LEU 26 HA LEU 26 -0.422 -6.253 1.055 208 1HB LEU 26 1HB LEU 26 1.818 -4.234 0.857 209 2HB LEU 26 2HB LEU 26 0.700 -4.384 2.196 210 HG LEU 26 HG LEU 26 1.617 -6.795 2.400 211 1HD1 LEU 26 1HD1 LEU 26 2.854 -6.867 0.326 212 2HD1 LEU 26 2HD1 LEU 26 3.967 -6.995 1.688 213 3HD1 LEU 26 3HD1 LEU 26 3.811 -5.469 0.816 214 1HD2 LEU 26 1HD2 LEU 26 3.453 -5.991 3.828 215 2HD2 LEU 26 2HD2 LEU 26 1.962 -5.083 4.075 216 3HD2 LEU 26 3HD2 LEU 26 3.273 -4.383 3.125 217 H TYR 27 H TYR 27 -1.065 -3.761 1.762 218 HA TYR 27 HA TYR 27 -2.302 -2.688 -0.682 219 1HB TYR 27 1HB TYR 27 -3.578 -3.680 1.540 220 2HB TYR 27 2HB TYR 27 -3.581 -1.945 1.844 221 HD1 TYR 27 1HD TYR 27 -5.483 -0.843 1.135 222 HD2 TYR 27 2HD TYR 27 -4.112 -4.208 -1.078 223 HE1 TYR 27 1HE TYR 27 -7.369 -0.580 -0.419 224 HE2 TYR 27 2HE TYR 27 -5.997 -3.953 -2.641 225 HH TYR 27 HH TYR 27 -8.245 -2.965 -2.670 226 H CYS 28 H CYS 28 -1.640 -0.788 -1.298 227 HA CYS 28 HA CYS 28 -0.315 0.976 0.645 228 1HB CYS 28 1HB CYS 28 0.956 0.194 -1.387 229 2HB CYS 28 2HB CYS 28 -0.180 1.108 -2.372 230 H CYS 29 H CYS 29 -0.873 3.171 0.767 231 HA CYS 29 HA CYS 29 -2.894 4.310 -0.898 232 1HB CYS 29 1HB CYS 29 -4.029 2.697 0.861 233 2HB CYS 29 2HB CYS 29 -3.800 4.071 1.937 234 HA PRO 30 HA PRO 30 -0.440 7.681 0.811 235 1HB PRO 30 1HB PRO 30 -1.433 9.634 -0.785 236 2HB PRO 30 2HB PRO 30 -0.231 8.464 -1.342 237 1HG PRO 30 1HG PRO 30 -3.196 8.478 -1.757 238 2HG PRO 30 2HG PRO 30 -1.905 8.113 -2.917 239 1HD PRO 30 1HD PRO 30 -3.335 6.179 -1.675 240 2HD PRO 30 2HD PRO 30 -1.634 5.963 -2.135 241 H ARG 31 H ARG 31 -0.802 9.316 2.273 242 HA ARG 31 HA ARG 31 -3.590 9.665 3.138 243 1HB ARG 31 1HB ARG 31 -2.056 8.720 4.815 244 2HB ARG 31 2HB ARG 31 -1.024 10.136 4.667 245 1HG ARG 31 1HG ARG 31 -2.832 11.546 5.508 246 2HG ARG 31 2HG ARG 31 -3.868 10.124 5.655 247 1HD ARG 31 1HD ARG 31 -2.312 9.148 7.262 248 2HD ARG 31 2HD ARG 31 -1.255 10.550 7.103 249 HE ARG 31 HE ARG 31 -3.885 11.310 7.876 250 1HH1 ARG 31 1HH1 ARG 31 -0.915 9.950 9.090 251 2HH1 ARG 31 2HH1 ARG 31 -1.171 10.508 10.709 252 1HH2 ARG 31 1HH2 ARG 31 -4.230 12.047 10.005 253 2HH2 ARG 31 2HH2 ARG 31 -3.055 11.699 11.230 254 H ARG 32 H ARG 32 -0.596 11.430 2.478 255 HA ARG 32 HA ARG 32 -2.090 13.957 2.559 256 1HB ARG 32 1HB ARG 32 0.888 13.428 2.554 257 2HB ARG 32 2HB ARG 32 0.159 15.028 2.554 258 1HG ARG 32 1HG ARG 32 -0.255 12.970 4.712 259 2HG ARG 32 2HG ARG 32 0.931 14.276 4.781 260 1HD ARG 32 1HD ARG 32 -0.876 15.919 4.594 261 2HD ARG 32 2HD ARG 32 -2.059 14.612 4.529 262 HE ARG 32 HE ARG 32 -0.606 14.249 6.857 263 1HH1 ARG 32 1HH1 ARG 32 -2.697 16.677 5.488 264 2HH1 ARG 32 2HH1 ARG 32 -3.275 17.229 7.025 265 1HH2 ARG 32 1HH2 ARG 32 -1.362 14.970 8.884 266 2HH2 ARG 32 2HH2 ARG 32 -2.516 16.260 8.954 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -10.166 11.028 -0.056 2 2H GLY 1 2H GLY 1 -9.319 10.022 -1.121 3 3H GLY 1 3H GLY 1 -9.424 9.619 0.518 4 1HA GLY 1 1HA GLY 1 -11.802 9.291 0.335 5 2HA GLY 1 2HA GLY 1 -11.721 9.748 -1.359 6 H LEU 2 H LEU 2 -10.483 8.364 -2.805 7 HA LEU 2 HA LEU 2 -9.849 5.695 -1.853 8 1HB LEU 2 1HB LEU 2 -12.273 5.630 -2.351 9 2HB LEU 2 2HB LEU 2 -11.931 6.135 -3.996 10 HG LEU 2 HG LEU 2 -10.590 4.043 -4.294 11 1HD1 LEU 2 1HD1 LEU 2 -10.096 3.607 -1.944 12 2HD1 LEU 2 2HD1 LEU 2 -10.905 2.229 -2.690 13 3HD1 LEU 2 3HD1 LEU 2 -11.807 3.313 -1.632 14 1HD2 LEU 2 1HD2 LEU 2 -12.883 4.200 -5.103 15 2HD2 LEU 2 2HD2 LEU 2 -13.487 3.692 -3.526 16 3HD2 LEU 2 3HD2 LEU 2 -12.539 2.575 -4.509 17 H LEU 3 H LEU 3 -7.742 6.173 -2.492 18 HA LEU 3 HA LEU 3 -7.264 5.843 -5.340 19 1HB LEU 3 1HB LEU 3 -5.647 7.705 -5.414 20 2HB LEU 3 2HB LEU 3 -7.297 8.239 -5.160 21 HG LEU 3 HG LEU 3 -5.433 7.891 -2.831 22 1HD1 LEU 3 1HD1 LEU 3 -5.690 10.331 -4.584 23 2HD1 LEU 3 2HD1 LEU 3 -4.256 9.321 -4.398 24 3HD1 LEU 3 3HD1 LEU 3 -4.852 10.265 -3.033 25 1HD2 LEU 3 1HD2 LEU 3 -6.890 9.658 -1.887 26 2HD2 LEU 3 2HD2 LEU 3 -7.767 8.186 -2.300 27 3HD2 LEU 3 3HD2 LEU 3 -7.866 9.594 -3.355 28 H CYS 4 H CYS 4 -6.901 3.989 -3.346 29 HA CYS 4 HA CYS 4 -4.121 4.014 -2.528 30 1HB CYS 4 1HB CYS 4 -6.194 1.831 -2.216 31 2HB CYS 4 2HB CYS 4 -4.640 1.923 -1.393 32 H TYR 5 H TYR 5 -2.540 2.551 -3.222 33 HA TYR 5 HA TYR 5 -3.140 1.235 -5.789 34 1HB TYR 5 1HB TYR 5 -0.515 2.403 -4.843 35 2HB TYR 5 2HB TYR 5 -0.774 1.586 -6.381 36 HD1 TYR 5 1HD TYR 5 -2.889 2.631 -7.728 37 HD2 TYR 5 2HD TYR 5 -0.457 4.700 -4.917 38 HE1 TYR 5 1HE TYR 5 -3.527 4.770 -8.760 39 HE2 TYR 5 2HE TYR 5 -1.089 6.846 -5.941 40 HH TYR 5 HH TYR 5 -3.657 7.177 -8.080 41 H CYS 6 H CYS 6 -2.317 -0.797 -6.194 42 HA CYS 6 HA CYS 6 -1.679 -2.366 -3.826 43 1HB CYS 6 1HB CYS 6 -3.324 -3.452 -5.053 44 2HB CYS 6 2HB CYS 6 -2.621 -2.987 -6.599 45 H ARG 7 H ARG 7 0.267 -3.241 -3.399 46 HA ARG 7 HA ARG 7 2.260 -3.506 -5.505 47 1HB ARG 7 1HB ARG 7 2.594 -1.712 -3.107 48 2HB ARG 7 2HB ARG 7 3.975 -2.385 -3.963 49 1HG ARG 7 1HG ARG 7 2.872 -1.340 -6.060 50 2HG ARG 7 2HG ARG 7 1.975 -0.371 -4.889 51 1HD ARG 7 1HD ARG 7 4.195 0.244 -3.868 52 2HD ARG 7 2HD ARG 7 4.960 -0.525 -5.257 53 HE ARG 7 HE ARG 7 3.474 1.978 -5.239 54 1HH1 ARG 7 1HH1 ARG 7 5.095 -0.496 -7.081 55 2HH1 ARG 7 2HH1 ARG 7 5.283 0.495 -8.489 56 1HH2 ARG 7 1HH2 ARG 7 3.713 3.288 -7.089 57 2HH2 ARG 7 2HH2 ARG 7 4.498 2.645 -8.494 58 H LYS 8 H LYS 8 4.222 -4.672 -4.714 59 HA LYS 8 HA LYS 8 3.552 -6.462 -2.467 60 1HB LYS 8 1HB LYS 8 3.389 -7.542 -4.727 61 2HB LYS 8 2HB LYS 8 5.106 -7.232 -4.941 62 1HG LYS 8 1HG LYS 8 5.607 -8.627 -3.001 63 2HG LYS 8 2HG LYS 8 3.885 -8.935 -2.777 64 1HD LYS 8 1HD LYS 8 4.559 -10.815 -3.940 65 2HD LYS 8 2HD LYS 8 3.986 -9.770 -5.239 66 1HE LYS 8 1HE LYS 8 6.863 -10.022 -4.377 67 2HE LYS 8 2HE LYS 8 6.147 -10.880 -5.740 68 1HZ LYS 8 1HZ LYS 8 5.591 -8.678 -6.695 69 2HZ LYS 8 2HZ LYS 8 7.254 -8.953 -6.555 70 3HZ LYS 8 3HZ LYS 8 6.468 -7.946 -5.447 71 H GLY 9 H GLY 9 5.283 -7.216 -1.183 72 1HA GLY 9 1HA GLY 9 7.463 -7.259 -0.356 73 2HA GLY 9 2HA GLY 9 7.957 -6.208 -1.674 74 H HIS 10 H HIS 10 7.579 -3.939 -1.491 75 HA HIS 10 HA HIS 10 6.578 -2.808 0.931 76 1HB HIS 10 1HB HIS 10 8.767 -1.714 1.559 77 2HB HIS 10 2HB HIS 10 8.668 -3.444 1.876 78 HD1 HIS 10 1HD HIS 10 9.528 -4.792 -0.538 79 HD2 HIS 10 2HD HIS 10 11.216 -1.165 0.575 80 HE1 HIS 10 1HE HIS 10 11.728 -4.687 -1.729 81 HE2 HIS 10 2HE HIS 10 12.785 -2.531 -0.965 82 H CYS 11 H CYS 11 5.787 -0.858 0.487 83 HA CYS 11 HA CYS 11 6.209 0.294 -2.112 84 1HB CYS 11 1HB CYS 11 4.565 1.158 0.266 85 2HB CYS 11 2HB CYS 11 4.627 2.064 -1.240 86 H LYS 12 H LYS 12 6.496 2.746 -2.238 87 HA LYS 12 HA LYS 12 8.981 3.397 -0.890 88 1HB LYS 12 1HB LYS 12 9.027 5.342 -2.406 89 2HB LYS 12 2HB LYS 12 8.827 3.828 -3.279 90 1HG LYS 12 1HG LYS 12 6.447 4.257 -3.518 91 2HG LYS 12 2HG LYS 12 6.613 5.753 -2.597 92 1HD LYS 12 1HD LYS 12 8.103 6.652 -4.311 93 2HD LYS 12 2HD LYS 12 7.968 5.148 -5.225 94 1HE LYS 12 1HE LYS 12 6.509 6.908 -6.122 95 2HE LYS 12 2HE LYS 12 5.592 5.520 -5.540 96 1HZ LYS 12 1HZ LYS 12 5.138 6.740 -3.495 97 2HZ LYS 12 2HZ LYS 12 4.565 7.580 -4.845 98 3HZ LYS 12 3HZ LYS 12 5.990 8.077 -4.083 99 H ARG 13 H ARG 13 5.645 4.102 -0.625 100 HA ARG 13 HA ARG 13 5.958 5.490 1.805 101 1HB ARG 13 1HB ARG 13 5.226 7.715 1.148 102 2HB ARG 13 2HB ARG 13 6.718 7.298 0.326 103 1HG ARG 13 1HG ARG 13 5.362 6.679 -1.672 104 2HG ARG 13 2HG ARG 13 3.945 7.318 -0.837 105 1HD ARG 13 1HD ARG 13 6.447 8.872 -1.490 106 2HD ARG 13 2HD ARG 13 4.929 8.956 -2.384 107 HE ARG 13 HE ARG 13 4.204 9.563 0.157 108 1HH1 ARG 13 1HH1 ARG 13 6.636 10.803 -2.010 109 2HH1 ARG 13 2HH1 ARG 13 6.578 12.408 -1.361 110 1HH2 ARG 13 1HH2 ARG 13 4.120 11.673 1.014 111 2HH2 ARG 13 2HH2 ARG 13 5.148 12.902 0.357 112 H GLY 14 H GLY 14 4.138 5.232 2.944 113 1HA GLY 14 1HA GLY 14 1.790 5.302 3.270 114 2HA GLY 14 2HA GLY 14 1.569 5.090 1.541 115 H GLU 15 H GLU 15 3.843 3.049 3.146 116 HA GLU 15 HA GLU 15 2.636 0.669 2.330 117 1HB GLU 15 1HB GLU 15 4.599 1.162 4.575 118 2HB GLU 15 2HB GLU 15 4.179 -0.428 3.953 119 1HG GLU 15 1HG GLU 15 5.176 0.001 1.876 120 2HG GLU 15 2HG GLU 15 5.307 1.729 2.202 121 H ARG 16 H ARG 16 0.790 -0.220 2.989 122 HA ARG 16 HA ARG 16 0.143 -0.178 5.844 123 1HB ARG 16 1HB ARG 16 -1.729 0.682 3.635 124 2HB ARG 16 2HB ARG 16 -2.243 0.336 5.279 125 1HG ARG 16 1HG ARG 16 -0.194 2.428 4.591 126 2HG ARG 16 2HG ARG 16 -1.921 2.758 4.740 127 1HD ARG 16 1HD ARG 16 -0.182 1.585 6.908 128 2HD ARG 16 2HD ARG 16 -0.666 3.278 6.802 129 HE ARG 16 HE ARG 16 -2.937 1.588 6.758 130 1HH1 ARG 16 1HH1 ARG 16 -0.506 2.857 8.907 131 2HH1 ARG 16 2HH1 ARG 16 -1.513 2.755 10.313 132 1HH2 ARG 16 1HH2 ARG 16 -4.269 1.454 8.600 133 2HH2 ARG 16 2HH2 ARG 16 -3.652 1.958 10.138 134 H VAL 17 H VAL 17 -1.758 -1.628 6.320 135 HA VAL 17 HA VAL 17 -1.996 -3.880 4.461 136 HB VAL 17 HB VAL 17 -1.543 -4.370 7.400 137 1HG1 VAL 17 1HG1 VAL 17 -1.009 -6.638 6.633 138 2HG1 VAL 17 2HG1 VAL 17 -1.332 -6.144 4.970 139 3HG1 VAL 17 3HG1 VAL 17 -2.636 -6.150 6.156 140 1HG2 VAL 17 1HG2 VAL 17 0.457 -3.264 6.577 141 2HG2 VAL 17 2HG2 VAL 17 0.541 -4.387 5.219 142 3HG2 VAL 17 3HG2 VAL 17 0.777 -4.976 6.865 143 H ARG 18 H ARG 18 -3.904 -1.983 4.748 144 HA ARG 18 HA ARG 18 -5.796 -2.493 6.805 145 1HB ARG 18 1HB ARG 18 -5.806 -0.372 5.610 146 2HB ARG 18 2HB ARG 18 -6.133 -1.194 4.093 147 1HG ARG 18 1HG ARG 18 -8.139 -0.145 4.963 148 2HG ARG 18 2HG ARG 18 -8.312 -1.901 4.935 149 1HD ARG 18 1HD ARG 18 -9.199 -0.957 7.004 150 2HD ARG 18 2HD ARG 18 -7.810 -1.995 7.322 151 HE ARG 18 HE ARG 18 -7.299 0.862 7.084 152 1HH1 ARG 18 1HH1 ARG 18 -7.748 -1.911 9.145 153 2HH1 ARG 18 2HH1 ARG 18 -7.039 -1.157 10.533 154 1HH2 ARG 18 1HH2 ARG 18 -6.365 1.865 8.911 155 2HH2 ARG 18 2HH2 ARG 18 -6.254 0.989 10.400 156 H GLY 19 H GLY 19 -5.216 -3.753 3.622 157 1HA GLY 19 1HA GLY 19 -7.123 -5.913 4.158 158 2HA GLY 19 2HA GLY 19 -7.244 -5.033 2.639 159 H THR 20 H THR 20 -6.161 -5.830 0.974 160 HA THR 20 HA THR 20 -3.533 -6.752 1.027 161 HB THR 20 HB THR 20 -4.286 -8.670 2.277 162 HG1 THR 20 1HG THR 20 -3.527 -10.256 0.891 163 1HG2 THR 20 1HG2 THR 20 -6.667 -8.567 1.661 164 2HG2 THR 20 2HG2 THR 20 -6.005 -10.189 1.460 165 3HG2 THR 20 3HG2 THR 20 -6.265 -9.162 0.051 166 H CYS 21 H CYS 21 -2.994 -8.010 -1.046 167 HA CYS 21 HA CYS 21 -4.885 -7.369 -3.199 168 1HB CYS 21 1HB CYS 21 -3.182 -5.567 -3.018 169 2HB CYS 21 2HB CYS 21 -1.924 -6.765 -3.294 170 H GLY 22 H GLY 22 -3.413 -9.742 -1.669 171 1HA GLY 22 1HA GLY 22 -3.830 -11.755 -3.452 172 2HA GLY 22 2HA GLY 22 -2.212 -11.196 -3.845 173 H ILE 23 H ILE 23 -1.205 -13.092 -3.218 174 HA ILE 23 HA ILE 23 -1.630 -14.351 -0.711 175 HB ILE 23 HB ILE 23 0.814 -14.532 -2.480 176 1HG1 ILE 23 1HG1 ILE 23 -1.642 -16.300 -2.461 177 2HG1 ILE 23 2HG1 ILE 23 -1.340 -15.039 -3.651 178 1HG2 ILE 23 1HG2 ILE 23 1.115 -16.727 -1.416 179 2HG2 ILE 23 2HG2 ILE 23 -0.265 -16.396 -0.368 180 3HG2 ILE 23 3HG2 ILE 23 1.191 -15.407 -0.248 181 1HD1 ILE 23 1HD1 ILE 23 -0.762 -17.226 -4.522 182 2HD1 ILE 23 2HD1 ILE 23 0.363 -17.476 -3.186 183 3HD1 ILE 23 3HD1 ILE 23 0.674 -16.212 -4.376 184 H ARG 24 H ARG 24 1.388 -12.810 -1.818 185 HA ARG 24 HA ARG 24 1.793 -11.852 0.936 186 1HB ARG 24 1HB ARG 24 4.232 -11.809 0.322 187 2HB ARG 24 2HB ARG 24 3.509 -13.410 0.388 188 1HG ARG 24 1HG ARG 24 3.319 -13.430 -2.046 189 2HG ARG 24 2HG ARG 24 4.041 -11.820 -2.114 190 1HD ARG 24 1HD ARG 24 6.110 -12.630 -1.256 191 2HD ARG 24 2HD ARG 24 5.405 -14.198 -0.868 192 HE ARG 24 HE ARG 24 5.322 -13.481 -3.667 193 1HH1 ARG 24 1HH1 ARG 24 7.104 -15.064 -1.124 194 2HH1 ARG 24 2HH1 ARG 24 8.000 -16.076 -2.206 195 1HH2 ARG 24 1HH2 ARG 24 6.498 -14.812 -5.099 196 2HH2 ARG 24 2HH2 ARG 24 7.657 -15.933 -4.464 197 H PHE 25 H PHE 25 0.218 -10.426 -0.932 198 HA PHE 25 HA PHE 25 1.916 -8.191 -1.769 199 1HB PHE 25 1HB PHE 25 -0.949 -8.921 -2.385 200 2HB PHE 25 2HB PHE 25 -0.227 -7.390 -2.868 201 HD1 PHE 25 1HD PHE 25 0.869 -7.224 -4.894 202 HD2 PHE 25 2HD PHE 25 0.271 -11.065 -3.162 203 HE1 PHE 25 1HE PHE 25 1.743 -8.277 -6.938 204 HE2 PHE 25 2HE PHE 25 1.145 -12.126 -5.203 205 HZ PHE 25 HZ PHE 25 1.883 -10.731 -7.095 206 H LEU 26 H LEU 26 1.505 -6.055 -1.129 207 HA LEU 26 HA LEU 26 -0.093 -5.813 1.333 208 1HB LEU 26 1HB LEU 26 2.248 -4.083 0.546 209 2HB LEU 26 2HB LEU 26 1.410 -4.097 2.085 210 HG LEU 26 HG LEU 26 2.224 -6.569 2.208 211 1HD1 LEU 26 1HD1 LEU 26 3.097 -6.755 -0.030 212 2HD1 LEU 26 2HD1 LEU 26 4.427 -6.867 1.123 213 3HD1 LEU 26 3HD1 LEU 26 4.155 -5.369 0.230 214 1HD2 LEU 26 1HD2 LEU 26 2.899 -4.787 3.731 215 2HD2 LEU 26 2HD2 LEU 26 4.106 -4.243 2.567 216 3HD2 LEU 26 3HD2 LEU 26 4.264 -5.827 3.325 217 H TYR 27 H TYR 27 -1.000 -3.644 1.747 218 HA TYR 27 HA TYR 27 -1.861 -2.422 -0.788 219 1HB TYR 27 1HB TYR 27 -3.412 -3.573 1.202 220 2HB TYR 27 2HB TYR 27 -3.555 -1.844 1.507 221 HD1 TYR 27 1HD TYR 27 -5.055 -0.571 0.251 222 HD2 TYR 27 2HD TYR 27 -3.805 -4.365 -1.209 223 HE1 TYR 27 1HE TYR 27 -6.673 -0.385 -1.591 224 HE2 TYR 27 2HE TYR 27 -5.423 -4.192 -3.058 225 HH TYR 27 HH TYR 27 -7.027 -1.291 -3.831 226 H CYS 28 H CYS 28 -1.282 -0.396 -1.149 227 HA CYS 28 HA CYS 28 -0.498 1.251 1.163 228 1HB CYS 28 1HB CYS 28 0.719 1.272 -1.606 229 2HB CYS 28 2HB CYS 28 1.206 2.294 -0.254 230 H CYS 29 H CYS 29 -0.869 3.507 1.009 231 HA CYS 29 HA CYS 29 -2.563 4.440 -1.171 232 1HB CYS 29 1HB CYS 29 -3.825 3.484 0.991 233 2HB CYS 29 2HB CYS 29 -3.524 5.122 1.556 234 HA PRO 30 HA PRO 30 0.251 7.858 -0.386 235 1HB PRO 30 1HB PRO 30 -0.687 9.500 -2.341 236 2HB PRO 30 2HB PRO 30 0.392 8.138 -2.660 237 1HG PRO 30 1HG PRO 30 -2.583 8.308 -2.954 238 2HG PRO 30 2HG PRO 30 -1.389 7.585 -4.050 239 1HD PRO 30 1HD PRO 30 -2.879 6.096 -2.361 240 2HD PRO 30 2HD PRO 30 -1.214 5.657 -2.792 241 H ARG 31 H ARG 31 0.147 9.736 0.752 242 HA ARG 31 HA ARG 31 -2.480 10.522 1.754 243 1HB ARG 31 1HB ARG 31 0.323 11.204 2.649 244 2HB ARG 31 2HB ARG 31 -1.124 11.885 3.380 245 1HG ARG 31 1HG ARG 31 -1.840 9.721 4.121 246 2HG ARG 31 2HG ARG 31 -0.520 8.940 3.247 247 1HD ARG 31 1HD ARG 31 -0.119 9.179 5.694 248 2HD ARG 31 2HD ARG 31 1.110 9.937 4.686 249 HE ARG 31 HE ARG 31 0.050 12.079 5.194 250 1HH1 ARG 31 1HH1 ARG 31 -0.747 9.363 7.227 251 2HH1 ARG 31 2HH1 ARG 31 -1.187 10.345 8.584 252 1HH2 ARG 31 1HH2 ARG 31 -0.527 13.378 6.971 253 2HH2 ARG 31 2HH2 ARG 31 -1.060 12.628 8.439 254 H ARG 32 H ARG 32 0.384 11.966 0.238 255 HA ARG 32 HA ARG 32 -0.884 14.540 -0.033 256 1HB ARG 32 1HB ARG 32 1.715 13.469 -1.146 257 2HB ARG 32 2HB ARG 32 1.180 15.138 -1.287 258 1HG ARG 32 1HG ARG 32 1.652 13.717 1.325 259 2HG ARG 32 2HG ARG 32 2.826 14.761 0.520 260 1HD ARG 32 1HD ARG 32 0.077 15.597 1.444 261 2HD ARG 32 2HD ARG 32 1.589 15.944 2.284 262 HE ARG 32 HE ARG 32 2.043 16.994 -0.141 263 1HH1 ARG 32 1HH1 ARG 32 -0.656 17.293 2.046 264 2HH1 ARG 32 2HH1 ARG 32 -1.059 18.897 1.530 265 1HH2 ARG 32 1HH2 ARG 32 1.518 19.103 -0.823 266 2HH2 ARG 32 2HH2 ARG 32 0.177 19.925 -0.099 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -7.154 11.465 -6.043 2 2H GLY 1 2H GLY 1 -7.395 9.895 -6.626 3 3H GLY 1 3H GLY 1 -6.926 11.128 -7.686 4 1HA GLY 1 1HA GLY 1 -5.045 9.717 -7.188 5 2HA GLY 1 2HA GLY 1 -4.802 11.341 -6.564 6 H LEU 2 H LEU 2 -6.958 10.516 -4.478 7 HA LEU 2 HA LEU 2 -5.016 9.570 -2.538 8 1HB LEU 2 1HB LEU 2 -7.846 10.571 -2.300 9 2HB LEU 2 2HB LEU 2 -6.962 9.914 -0.937 10 HG LEU 2 HG LEU 2 -5.217 11.699 -1.338 11 1HD1 LEU 2 1HD1 LEU 2 -7.364 12.785 -3.156 12 2HD1 LEU 2 2HD1 LEU 2 -5.754 12.251 -3.635 13 3HD1 LEU 2 3HD1 LEU 2 -5.943 13.674 -2.611 14 1HD2 LEU 2 1HD2 LEU 2 -8.022 12.580 -0.663 15 2HD2 LEU 2 2HD2 LEU 2 -6.545 13.455 -0.259 16 3HD2 LEU 2 3HD2 LEU 2 -6.854 11.872 0.453 17 H LEU 3 H LEU 3 -6.476 7.924 -4.731 18 HA LEU 3 HA LEU 3 -7.979 5.979 -3.255 19 1HB LEU 3 1HB LEU 3 -8.457 6.414 -5.605 20 2HB LEU 3 2HB LEU 3 -6.839 5.909 -6.050 21 HG LEU 3 HG LEU 3 -7.363 3.616 -5.274 22 1HD1 LEU 3 1HD1 LEU 3 -9.064 4.146 -3.622 23 2HD1 LEU 3 2HD1 LEU 3 -9.695 3.015 -4.820 24 3HD1 LEU 3 3HD1 LEU 3 -10.144 4.719 -4.895 25 1HD2 LEU 3 1HD2 LEU 3 -9.291 4.727 -7.308 26 2HD2 LEU 3 2HD2 LEU 3 -8.833 3.033 -7.132 27 3HD2 LEU 3 3HD2 LEU 3 -7.630 4.226 -7.625 28 H CYS 4 H CYS 4 -7.383 3.891 -2.692 29 HA CYS 4 HA CYS 4 -4.562 3.539 -2.148 30 1HB CYS 4 1HB CYS 4 -6.741 1.551 -1.541 31 2HB CYS 4 2HB CYS 4 -5.208 1.782 -0.708 32 H TYR 5 H TYR 5 -3.250 1.921 -2.960 33 HA TYR 5 HA TYR 5 -4.366 0.289 -5.139 34 1HB TYR 5 1HB TYR 5 -1.739 1.789 -5.174 35 2HB TYR 5 2HB TYR 5 -2.257 0.640 -6.403 36 HD1 TYR 5 1HD TYR 5 -4.219 1.186 -7.845 37 HD2 TYR 5 2HD TYR 5 -2.531 4.026 -5.165 38 HE1 TYR 5 1HE TYR 5 -5.355 2.998 -9.060 39 HE2 TYR 5 2HE TYR 5 -3.663 5.845 -6.371 40 HH TYR 5 HH TYR 5 -4.591 6.263 -8.625 41 H CYS 6 H CYS 6 -3.214 -1.656 -5.607 42 HA CYS 6 HA CYS 6 -1.944 -2.796 -3.229 43 1HB CYS 6 1HB CYS 6 -3.446 -4.394 -3.799 44 2HB CYS 6 2HB CYS 6 -3.557 -3.834 -5.464 45 H ARG 7 H ARG 7 0.108 -3.631 -3.217 46 HA ARG 7 HA ARG 7 1.623 -3.735 -5.705 47 1HB ARG 7 1HB ARG 7 2.412 -1.998 -3.367 48 2HB ARG 7 2HB ARG 7 3.499 -2.428 -4.679 49 1HG ARG 7 1HG ARG 7 1.871 -1.365 -6.255 50 2HG ARG 7 2HG ARG 7 0.990 -0.780 -4.843 51 1HD ARG 7 1HD ARG 7 2.999 0.400 -4.086 52 2HD ARG 7 2HD ARG 7 3.870 -0.178 -5.504 53 HE ARG 7 HE ARG 7 1.525 1.602 -5.674 54 1HH1 ARG 7 1HH1 ARG 7 4.729 0.657 -6.686 55 2HH1 ARG 7 2HH1 ARG 7 4.849 1.896 -7.888 56 1HH2 ARG 7 1HH2 ARG 7 1.684 3.232 -7.254 57 2HH2 ARG 7 2HH2 ARG 7 3.122 3.358 -8.211 58 H LYS 8 H LYS 8 4.074 -4.281 -4.940 59 HA LYS 8 HA LYS 8 3.850 -6.467 -2.977 60 1HB LYS 8 1HB LYS 8 3.925 -7.376 -5.248 61 2HB LYS 8 2HB LYS 8 5.399 -6.475 -5.575 62 1HG LYS 8 1HG LYS 8 6.462 -7.765 -3.686 63 2HG LYS 8 2HG LYS 8 5.025 -8.788 -3.694 64 1HD LYS 8 1HD LYS 8 6.790 -8.306 -6.092 65 2HD LYS 8 2HD LYS 8 6.925 -9.701 -5.020 66 1HE LYS 8 1HE LYS 8 4.660 -10.378 -5.582 67 2HE LYS 8 2HE LYS 8 4.467 -8.953 -6.601 68 1HZ LYS 8 1HZ LYS 8 6.205 -9.771 -8.044 69 2HZ LYS 8 2HZ LYS 8 4.990 -10.939 -7.891 70 3HZ LYS 8 3HZ LYS 8 6.447 -11.120 -7.051 71 H GLY 9 H GLY 9 5.437 -6.623 -1.481 72 1HA GLY 9 1HA GLY 9 7.350 -6.141 -0.303 73 2HA GLY 9 2HA GLY 9 8.058 -5.584 -1.810 74 H HIS 10 H HIS 10 8.019 -3.409 -2.324 75 HA HIS 10 HA HIS 10 7.328 -1.642 -0.080 76 1HB HIS 10 1HB HIS 10 9.716 -1.808 -1.098 77 2HB HIS 10 2HB HIS 10 9.049 -0.838 -2.406 78 HD1 HIS 10 1HD HIS 10 9.314 -0.652 1.385 79 HD2 HIS 10 2HD HIS 10 9.244 1.821 -1.953 80 HE1 HIS 10 1HE HIS 10 9.711 1.672 2.262 81 HE2 HIS 10 2HE HIS 10 9.551 3.163 0.237 82 H CYS 11 H CYS 11 6.753 0.659 -0.828 83 HA CYS 11 HA CYS 11 5.129 0.659 -3.262 84 1HB CYS 11 1HB CYS 11 4.095 1.353 -0.512 85 2HB CYS 11 2HB CYS 11 3.240 1.712 -2.002 86 H LYS 12 H LYS 12 3.949 3.073 -3.125 87 HA LYS 12 HA LYS 12 6.228 4.860 -3.286 88 1HB LYS 12 1HB LYS 12 4.654 6.430 -4.351 89 2HB LYS 12 2HB LYS 12 4.689 4.868 -5.155 90 1HG LYS 12 1HG LYS 12 2.623 4.257 -3.897 91 2HG LYS 12 2HG LYS 12 2.566 5.917 -3.300 92 1HD LYS 12 1HD LYS 12 2.453 6.734 -5.611 93 2HD LYS 12 2HD LYS 12 2.487 5.070 -6.196 94 1HE LYS 12 1HE LYS 12 0.211 5.881 -6.185 95 2HE LYS 12 2HE LYS 12 0.399 4.623 -4.966 96 1HZ LYS 12 1HZ LYS 12 0.615 6.370 -3.284 97 2HZ LYS 12 2HZ LYS 12 -0.871 6.457 -4.087 98 3HZ LYS 12 3HZ LYS 12 0.362 7.551 -4.470 99 H ARG 13 H ARG 13 3.051 4.863 -1.689 100 HA ARG 13 HA ARG 13 4.233 6.354 0.512 101 1HB ARG 13 1HB ARG 13 1.730 7.364 -0.837 102 2HB ARG 13 2HB ARG 13 2.618 8.110 0.478 103 1HG ARG 13 1HG ARG 13 4.437 8.667 -0.950 104 2HG ARG 13 2HG ARG 13 3.748 7.725 -2.274 105 1HD ARG 13 1HD ARG 13 1.881 9.238 -2.438 106 2HD ARG 13 2HD ARG 13 2.433 10.129 -1.021 107 HE ARG 13 HE ARG 13 4.528 10.409 -2.622 108 1HH1 ARG 13 1HH1 ARG 13 1.125 10.712 -3.306 109 2HH1 ARG 13 2HH1 ARG 13 1.349 11.888 -4.559 110 1HH2 ARG 13 1HH2 ARG 13 4.834 11.960 -4.269 111 2HH2 ARG 13 2HH2 ARG 13 3.458 12.596 -5.107 112 H GLY 14 H GLY 14 3.225 6.029 2.464 113 1HA GLY 14 1HA GLY 14 1.971 4.908 4.023 114 2HA GLY 14 2HA GLY 14 0.630 5.145 2.913 115 H GLU 15 H GLU 15 3.255 2.983 3.815 116 HA GLU 15 HA GLU 15 2.049 0.837 2.225 117 1HB GLU 15 1HB GLU 15 4.615 0.659 3.792 118 2HB GLU 15 2HB GLU 15 4.092 -0.348 2.452 119 1HG GLU 15 1HG GLU 15 5.690 0.999 1.486 120 2HG GLU 15 2HG GLU 15 4.191 1.829 1.079 121 H ARG 16 H ARG 16 0.493 -0.268 3.261 122 HA ARG 16 HA ARG 16 1.066 -1.247 5.953 123 1HB ARG 16 1HB ARG 16 -1.450 0.245 5.201 124 2HB ARG 16 2HB ARG 16 -1.244 -0.665 6.692 125 1HG ARG 16 1HG ARG 16 0.661 0.815 7.270 126 2HG ARG 16 2HG ARG 16 0.297 1.774 5.834 127 1HD ARG 16 1HD ARG 16 -0.690 2.798 7.798 128 2HD ARG 16 2HD ARG 16 -1.951 2.213 6.713 129 HE ARG 16 HE ARG 16 -1.202 0.372 8.809 130 1HH1 ARG 16 1HH1 ARG 16 -3.314 2.980 7.861 131 2HH1 ARG 16 2HH1 ARG 16 -4.531 2.587 9.028 132 1HH2 ARG 16 1HH2 ARG 16 -2.800 -0.149 10.347 133 2HH2 ARG 16 2HH2 ARG 16 -4.242 0.808 10.440 134 H VAL 17 H VAL 17 -1.201 -2.506 6.585 135 HA VAL 17 HA VAL 17 -1.919 -4.222 4.321 136 HB VAL 17 HB VAL 17 -1.215 -5.398 7.008 137 1HG1 VAL 17 1HG1 VAL 17 -1.588 -6.615 4.273 138 2HG1 VAL 17 2HG1 VAL 17 -2.695 -6.744 5.639 139 3HG1 VAL 17 3HG1 VAL 17 -1.101 -7.493 5.723 140 1HG2 VAL 17 1HG2 VAL 17 0.555 -5.173 4.575 141 2HG2 VAL 17 2HG2 VAL 17 0.907 -6.142 6.004 142 3HG2 VAL 17 3HG2 VAL 17 0.809 -4.386 6.133 143 H ARG 18 H ARG 18 -3.631 -2.348 5.089 144 HA ARG 18 HA ARG 18 -5.321 -2.929 7.265 145 1HB ARG 18 1HB ARG 18 -5.351 -0.770 6.058 146 2HB ARG 18 2HB ARG 18 -6.024 -1.577 4.648 147 1HG ARG 18 1HG ARG 18 -8.048 -2.087 5.837 148 2HG ARG 18 2HG ARG 18 -7.370 -1.456 7.338 149 1HD ARG 18 1HD ARG 18 -8.875 0.167 6.341 150 2HD ARG 18 2HD ARG 18 -7.219 0.770 6.322 151 HE ARG 18 HE ARG 18 -8.406 -0.474 3.935 152 1HH1 ARG 18 1HH1 ARG 18 -6.847 2.212 5.517 153 2HH1 ARG 18 2HH1 ARG 18 -6.604 3.100 4.050 154 1HH2 ARG 18 1HH2 ARG 18 -8.088 0.684 2.002 155 2HH2 ARG 18 2HH2 ARG 18 -7.311 2.231 2.051 156 H GLY 19 H GLY 19 -5.618 -3.684 3.821 157 1HA GLY 19 1HA GLY 19 -7.500 -5.849 4.517 158 2HA GLY 19 2HA GLY 19 -7.451 -5.026 2.960 159 H THR 20 H THR 20 -6.444 -6.071 1.377 160 HA THR 20 HA THR 20 -3.920 -7.228 1.553 161 HB THR 20 HB THR 20 -4.781 -8.982 2.898 162 HG1 THR 20 1HG THR 20 -4.830 -10.721 1.014 163 1HG2 THR 20 1HG2 THR 20 -7.158 -8.710 2.468 164 2HG2 THR 20 2HG2 THR 20 -6.689 -10.388 2.193 165 3HG2 THR 20 3HG2 THR 20 -6.952 -9.310 0.822 166 H CYS 21 H CYS 21 -3.266 -8.330 -0.416 167 HA CYS 21 HA CYS 21 -5.105 -7.855 -2.660 168 1HB CYS 21 1HB CYS 21 -3.458 -6.076 -2.654 169 2HB CYS 21 2HB CYS 21 -2.147 -7.245 -2.552 170 H GLY 22 H GLY 22 -2.645 -9.822 -1.196 171 1HA GLY 22 1HA GLY 22 -3.423 -12.110 -2.719 172 2HA GLY 22 2HA GLY 22 -1.862 -11.496 -3.241 173 H ILE 23 H ILE 23 -0.519 -13.065 -2.515 174 HA ILE 23 HA ILE 23 -0.764 -14.020 0.230 175 HB ILE 23 HB ILE 23 1.199 -14.852 -1.912 176 1HG1 ILE 23 1HG1 ILE 23 -1.313 -16.254 -0.972 177 2HG1 ILE 23 2HG1 ILE 23 -1.190 -15.327 -2.464 178 1HG2 ILE 23 1HG2 ILE 23 2.001 -15.278 0.354 179 2HG2 ILE 23 2HG2 ILE 23 1.613 -16.786 -0.474 180 3HG2 ILE 23 3HG2 ILE 23 0.504 -16.130 0.730 181 1HD1 ILE 23 1HD1 ILE 23 0.505 -16.879 -3.284 182 2HD1 ILE 23 2HD1 ILE 23 -1.000 -17.707 -2.886 183 3HD1 ILE 23 3HD1 ILE 23 0.378 -17.806 -1.790 184 H ARG 24 H ARG 24 1.928 -12.881 -1.813 185 HA ARG 24 HA ARG 24 3.268 -11.893 0.598 186 1HB ARG 24 1HB ARG 24 5.296 -11.815 -0.734 187 2HB ARG 24 2HB ARG 24 4.551 -13.400 -0.876 188 1HG ARG 24 1HG ARG 24 3.979 -11.307 -2.926 189 2HG ARG 24 2HG ARG 24 5.497 -12.205 -2.981 190 1HD ARG 24 1HD ARG 24 4.244 -14.310 -3.033 191 2HD ARG 24 2HD ARG 24 2.730 -13.408 -2.985 192 HE ARG 24 HE ARG 24 4.144 -12.450 -5.159 193 1HH1 ARG 24 1HH1 ARG 24 2.801 -15.493 -4.118 194 2HH1 ARG 24 2HH1 ARG 24 2.512 -16.063 -5.727 195 1HH2 ARG 24 1HH2 ARG 24 3.766 -13.192 -7.281 196 2HH2 ARG 24 2HH2 ARG 24 3.061 -14.755 -7.526 197 H PHE 25 H PHE 25 1.004 -10.615 -0.993 198 HA PHE 25 HA PHE 25 2.306 -8.121 -1.805 199 1HB PHE 25 1HB PHE 25 -0.539 -9.078 -2.175 200 2HB PHE 25 2HB PHE 25 0.081 -7.531 -2.743 201 HD1 PHE 25 1HD PHE 25 1.322 -7.369 -4.748 202 HD2 PHE 25 2HD PHE 25 0.333 -11.190 -3.154 203 HE1 PHE 25 1HE PHE 25 2.043 -8.429 -6.849 204 HE2 PHE 25 2HE PHE 25 1.052 -12.256 -5.250 205 HZ PHE 25 HZ PHE 25 1.909 -10.876 -7.102 206 H LEU 26 H LEU 26 0.639 -6.175 -1.335 207 HA LEU 26 HA LEU 26 -0.558 -6.280 1.275 208 1HB LEU 26 1HB LEU 26 0.853 -4.682 2.367 209 2HB LEU 26 2HB LEU 26 1.845 -6.016 1.816 210 HG LEU 26 HG LEU 26 1.608 -3.430 0.289 211 1HD1 LEU 26 1HD1 LEU 26 3.685 -4.208 2.330 212 2HD1 LEU 26 2HD1 LEU 26 2.463 -2.952 2.524 213 3HD1 LEU 26 3HD1 LEU 26 3.727 -2.773 1.305 214 1HD2 LEU 26 1HD2 LEU 26 3.592 -5.701 0.220 215 2HD2 LEU 26 2HD2 LEU 26 3.755 -4.190 -0.674 216 3HD2 LEU 26 3HD2 LEU 26 2.418 -5.282 -1.028 217 H TYR 27 H TYR 27 -1.353 -4.053 1.942 218 HA TYR 27 HA TYR 27 -2.300 -2.705 -0.495 219 1HB TYR 27 1HB TYR 27 -3.742 -3.790 1.597 220 2HB TYR 27 2HB TYR 27 -3.745 -2.062 1.952 221 HD1 TYR 27 1HD TYR 27 -5.171 -0.613 0.777 222 HD2 TYR 27 2HD TYR 27 -4.479 -4.540 -0.700 223 HE1 TYR 27 1HE TYR 27 -6.927 -0.278 -0.911 224 HE2 TYR 27 2HE TYR 27 -6.238 -4.220 -2.392 225 HH TYR 27 HH TYR 27 -7.549 -1.198 -3.132 226 H CYS 28 H CYS 28 -1.519 -0.785 -0.923 227 HA CYS 28 HA CYS 28 -0.516 0.858 1.307 228 1HB CYS 28 1HB CYS 28 0.541 0.735 -1.524 229 2HB CYS 28 2HB CYS 28 1.150 1.783 -0.248 230 H CYS 29 H CYS 29 -1.567 2.688 1.614 231 HA CYS 29 HA CYS 29 -2.966 3.911 -0.671 232 1HB CYS 29 1HB CYS 29 -4.383 2.777 1.176 233 2HB CYS 29 2HB CYS 29 -3.932 4.161 2.166 234 HA PRO 30 HA PRO 30 -0.486 7.460 0.362 235 1HB PRO 30 1HB PRO 30 -1.766 9.322 -1.121 236 2HB PRO 30 2HB PRO 30 -0.739 8.077 -1.841 237 1HG PRO 30 1HG PRO 30 -3.723 8.160 -1.594 238 2HG PRO 30 2HG PRO 30 -2.728 7.684 -2.984 239 1HD PRO 30 1HD PRO 30 -3.876 5.880 -1.315 240 2HD PRO 30 2HD PRO 30 -2.334 5.578 -2.141 241 H ARG 31 H ARG 31 -0.513 8.770 2.073 242 HA ARG 31 HA ARG 31 -3.096 9.861 2.980 243 1HB ARG 31 1HB ARG 31 -0.837 8.872 4.733 244 2HB ARG 31 2HB ARG 31 -2.334 9.602 5.300 245 1HG ARG 31 1HG ARG 31 -3.603 7.739 4.360 246 2HG ARG 31 2HG ARG 31 -2.104 7.007 3.786 247 1HD ARG 31 1HD ARG 31 -2.808 5.965 5.859 248 2HD ARG 31 2HD ARG 31 -1.306 6.854 6.101 249 HE ARG 31 HE ARG 31 -3.516 8.492 6.740 250 1HH1 ARG 31 1HH1 ARG 31 -1.710 5.762 7.938 251 2HH1 ARG 31 2HH1 ARG 31 -2.079 6.083 9.599 252 1HH2 ARG 31 1HH2 ARG 31 -4.009 8.919 8.924 253 2HH2 ARG 31 2HH2 ARG 31 -3.387 7.878 10.160 254 H ARG 32 H ARG 32 -2.715 11.837 1.975 255 HA ARG 32 HA ARG 32 -0.295 13.317 2.540 256 1HB ARG 32 1HB ARG 32 -1.354 13.464 0.329 257 2HB ARG 32 2HB ARG 32 -2.806 14.130 1.063 258 1HG ARG 32 1HG ARG 32 -1.515 16.079 1.813 259 2HG ARG 32 2HG ARG 32 -0.083 15.415 1.021 260 1HD ARG 32 1HD ARG 32 -1.193 17.111 -0.363 261 2HD ARG 32 2HD ARG 32 -1.193 15.526 -1.135 262 HE ARG 32 HE ARG 32 -3.574 16.134 0.381 263 1HH1 ARG 32 1HH1 ARG 32 -2.003 16.279 -2.728 264 2HH1 ARG 32 2HH1 ARG 32 -3.487 16.407 -3.613 265 1HH2 ARG 32 1HH2 ARG 32 -5.528 16.304 -0.779 266 2HH2 ARG 32 2HH2 ARG 32 -5.488 16.420 -2.507 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -12.076 11.132 -4.341 2 2H GLY 1 2H GLY 1 -13.232 10.803 -3.151 3 3H GLY 1 3H GLY 1 -12.567 9.538 -4.055 4 1HA GLY 1 1HA GLY 1 -11.071 11.267 -2.163 5 2HA GLY 1 2HA GLY 1 -11.625 9.635 -1.817 6 H LEU 2 H LEU 2 -9.117 9.784 -1.403 7 HA LEU 2 HA LEU 2 -7.488 9.457 -3.754 8 1HB LEU 2 1HB LEU 2 -6.847 8.956 -0.845 9 2HB LEU 2 2HB LEU 2 -5.681 8.986 -2.153 10 HG LEU 2 HG LEU 2 -7.344 11.345 -1.260 11 1HD1 LEU 2 1HD1 LEU 2 -5.684 10.711 0.410 12 2HD1 LEU 2 2HD1 LEU 2 -5.245 12.227 -0.377 13 3HD1 LEU 2 3HD1 LEU 2 -4.423 10.731 -0.823 14 1HD2 LEU 2 1HD2 LEU 2 -5.864 12.639 -2.725 15 2HD2 LEU 2 2HD2 LEU 2 -6.789 11.441 -3.630 16 3HD2 LEU 2 3HD2 LEU 2 -5.090 11.146 -3.258 17 H LEU 3 H LEU 3 -7.411 7.648 -4.902 18 HA LEU 3 HA LEU 3 -8.360 5.152 -3.787 19 1HB LEU 3 1HB LEU 3 -7.291 5.789 -6.538 20 2HB LEU 3 2HB LEU 3 -8.034 4.273 -6.066 21 HG LEU 3 HG LEU 3 -9.439 6.947 -6.084 22 1HD1 LEU 3 1HD1 LEU 3 -10.631 6.057 -8.036 23 2HD1 LEU 3 2HD1 LEU 3 -9.579 4.642 -8.022 24 3HD1 LEU 3 3HD1 LEU 3 -8.904 6.239 -8.339 25 1HD2 LEU 3 1HD2 LEU 3 -10.358 5.418 -4.432 26 2HD2 LEU 3 2HD2 LEU 3 -10.475 4.147 -5.649 27 3HD2 LEU 3 3HD2 LEU 3 -11.468 5.599 -5.790 28 H CYS 4 H CYS 4 -7.173 3.337 -3.380 29 HA CYS 4 HA CYS 4 -4.312 3.725 -3.048 30 1HB CYS 4 1HB CYS 4 -5.970 1.308 -2.312 31 2HB CYS 4 2HB CYS 4 -4.359 1.708 -1.730 32 H TYR 5 H TYR 5 -3.054 1.498 -3.425 33 HA TYR 5 HA TYR 5 -3.801 0.327 -5.995 34 1HB TYR 5 1HB TYR 5 -1.161 1.700 -5.460 35 2HB TYR 5 2HB TYR 5 -1.475 0.664 -6.848 36 HD1 TYR 5 1HD TYR 5 -2.998 1.399 -8.630 37 HD2 TYR 5 2HD TYR 5 -2.054 3.936 -5.347 38 HE1 TYR 5 1HE TYR 5 -3.877 3.329 -9.876 39 HE2 TYR 5 2HE TYR 5 -2.933 5.873 -6.583 40 HH TYR 5 HH TYR 5 -3.336 6.533 -8.924 41 H CYS 6 H CYS 6 -2.253 -1.483 -6.583 42 HA CYS 6 HA CYS 6 -1.732 -3.050 -4.163 43 1HB CYS 6 1HB CYS 6 -3.214 -4.063 -5.831 44 2HB CYS 6 2HB CYS 6 -1.956 -3.915 -7.054 45 H ARG 7 H ARG 7 0.274 -3.308 -3.465 46 HA ARG 7 HA ARG 7 2.491 -3.046 -5.392 47 1HB ARG 7 1HB ARG 7 2.391 -2.153 -2.506 48 2HB ARG 7 2HB ARG 7 3.843 -2.151 -3.495 49 1HG ARG 7 1HG ARG 7 1.352 -0.603 -4.160 50 2HG ARG 7 2HG ARG 7 2.727 0.060 -3.276 51 1HD ARG 7 1HD ARG 7 4.181 -0.433 -5.184 52 2HD ARG 7 2HD ARG 7 2.800 -1.084 -6.065 53 HE ARG 7 HE ARG 7 2.770 1.708 -5.160 54 1HH1 ARG 7 1HH1 ARG 7 2.763 -0.649 -7.721 55 2HH1 ARG 7 2HH1 ARG 7 2.375 0.501 -8.957 56 1HH2 ARG 7 1HH2 ARG 7 2.257 3.232 -6.774 57 2HH2 ARG 7 2HH2 ARG 7 2.087 2.712 -8.417 58 H LYS 8 H LYS 8 4.303 -4.392 -5.081 59 HA LYS 8 HA LYS 8 3.736 -6.772 -3.449 60 1HB LYS 8 1HB LYS 8 3.943 -7.247 -5.823 61 2HB LYS 8 2HB LYS 8 5.502 -6.437 -5.879 62 1HG LYS 8 1HG LYS 8 6.434 -8.139 -4.385 63 2HG LYS 8 2HG LYS 8 4.870 -8.957 -4.355 64 1HD LYS 8 1HD LYS 8 5.005 -9.345 -6.751 65 2HD LYS 8 2HD LYS 8 6.531 -8.462 -6.827 66 1HE LYS 8 1HE LYS 8 7.561 -10.127 -5.356 67 2HE LYS 8 2HE LYS 8 6.036 -11.007 -5.284 68 1HZ LYS 8 1HZ LYS 8 7.608 -10.517 -7.755 69 2HZ LYS 8 2HZ LYS 8 6.178 -11.413 -7.647 70 3HZ LYS 8 3HZ LYS 8 7.583 -11.970 -6.887 71 H GLY 9 H GLY 9 5.046 -7.333 -1.820 72 1HA GLY 9 1HA GLY 9 6.944 -7.445 -0.500 73 2HA GLY 9 2HA GLY 9 7.808 -6.531 -1.727 74 H HIS 10 H HIS 10 7.388 -4.183 -1.806 75 HA HIS 10 HA HIS 10 6.297 -2.983 0.590 76 1HB HIS 10 1HB HIS 10 8.420 -1.693 1.010 77 2HB HIS 10 2HB HIS 10 8.502 -3.409 1.398 78 HD1 HIS 10 1HD HIS 10 9.328 -4.799 -0.990 79 HD2 HIS 10 2HD HIS 10 10.709 -0.959 -0.214 80 HE1 HIS 10 1HE HIS 10 11.409 -4.548 -2.358 81 HE2 HIS 10 2HE HIS 10 12.286 -2.251 -1.806 82 H CYS 11 H CYS 11 5.884 -0.751 0.386 83 HA CYS 11 HA CYS 11 5.878 0.174 -2.395 84 1HB CYS 11 1HB CYS 11 3.721 0.089 -1.126 85 2HB CYS 11 2HB CYS 11 4.366 1.308 -0.035 86 H LYS 12 H LYS 12 6.139 2.581 -2.685 87 HA LYS 12 HA LYS 12 8.652 3.367 -1.558 88 1HB LYS 12 1HB LYS 12 8.006 5.553 -2.903 89 2HB LYS 12 2HB LYS 12 8.565 4.102 -3.721 90 1HG LYS 12 1HG LYS 12 6.251 3.473 -4.192 91 2HG LYS 12 2HG LYS 12 5.690 4.931 -3.372 92 1HD LYS 12 1HD LYS 12 6.885 6.310 -5.003 93 2HD LYS 12 2HD LYS 12 7.457 4.853 -5.818 94 1HE LYS 12 1HE LYS 12 4.585 5.719 -5.512 95 2HE LYS 12 2HE LYS 12 5.545 5.802 -6.987 96 1HZ LYS 12 1HZ LYS 12 5.726 3.394 -6.962 97 2HZ LYS 12 2HZ LYS 12 4.102 3.868 -6.981 98 3HZ LYS 12 3HZ LYS 12 4.803 3.313 -5.545 99 H ARG 13 H ARG 13 5.300 4.366 -1.169 100 HA ARG 13 HA ARG 13 5.846 5.397 1.427 101 1HB ARG 13 1HB ARG 13 5.368 7.716 1.095 102 2HB ARG 13 2HB ARG 13 6.657 7.273 -0.007 103 1HG ARG 13 1HG ARG 13 3.809 7.296 -0.924 104 2HG ARG 13 2HG ARG 13 4.754 8.783 -0.851 105 1HD ARG 13 1HD ARG 13 6.412 7.844 -2.339 106 2HD ARG 13 2HD ARG 13 5.570 6.297 -2.344 107 HE ARG 13 HE ARG 13 3.712 7.484 -3.470 108 1HH1 ARG 13 1HH1 ARG 13 6.920 8.844 -3.569 109 2HH1 ARG 13 2HH1 ARG 13 6.646 9.710 -5.043 110 1HH2 ARG 13 1HH2 ARG 13 3.344 8.622 -5.411 111 2HH2 ARG 13 2HH2 ARG 13 4.614 9.586 -6.089 112 H GLY 14 H GLY 14 4.076 5.269 2.659 113 1HA GLY 14 1HA GLY 14 1.758 5.486 3.112 114 2HA GLY 14 2HA GLY 14 1.437 5.359 1.389 115 H GLU 15 H GLU 15 3.528 3.180 3.184 116 HA GLU 15 HA GLU 15 2.191 0.882 2.200 117 1HB GLU 15 1HB GLU 15 4.304 1.275 4.312 118 2HB GLU 15 2HB GLU 15 3.670 -0.312 3.900 119 1HG GLU 15 1HG GLU 15 4.505 -0.187 1.706 120 2HG GLU 15 2HG GLU 15 4.883 1.528 1.862 121 H ARG 16 H ARG 16 0.414 -0.065 2.917 122 HA ARG 16 HA ARG 16 -0.257 0.062 5.763 123 1HB ARG 16 1HB ARG 16 -2.071 0.908 3.504 124 2HB ARG 16 2HB ARG 16 -2.666 0.508 5.110 125 1HG ARG 16 1HG ARG 16 -0.652 2.669 4.530 126 2HG ARG 16 2HG ARG 16 -2.386 2.936 4.716 127 1HD ARG 16 1HD ARG 16 -2.250 1.974 6.991 128 2HD ARG 16 2HD ARG 16 -0.504 1.826 6.795 129 HE ARG 16 HE ARG 16 -1.300 4.489 6.311 130 1HH1 ARG 16 1HH1 ARG 16 -0.916 2.197 8.906 131 2HH1 ARG 16 2HH1 ARG 16 -0.623 3.409 10.108 132 1HH2 ARG 16 1HH2 ARG 16 -0.916 6.093 7.885 133 2HH2 ARG 16 2HH2 ARG 16 -0.623 5.625 9.527 134 H VAL 17 H VAL 17 -1.905 -1.514 6.394 135 HA VAL 17 HA VAL 17 -2.129 -3.770 4.518 136 HB VAL 17 HB VAL 17 -1.739 -4.220 7.465 137 1HG1 VAL 17 1HG1 VAL 17 -1.088 -6.449 6.754 138 2HG1 VAL 17 2HG1 VAL 17 -1.251 -5.976 5.062 139 3HG1 VAL 17 3HG1 VAL 17 -2.675 -6.038 6.101 140 1HG2 VAL 17 1HG2 VAL 17 0.640 -4.691 6.991 141 2HG2 VAL 17 2HG2 VAL 17 0.220 -2.995 6.759 142 3HG2 VAL 17 3HG2 VAL 17 0.418 -4.052 5.363 143 H ARG 18 H ARG 18 -4.126 -1.948 4.754 144 HA ARG 18 HA ARG 18 -6.073 -2.876 6.695 145 1HB ARG 18 1HB ARG 18 -5.957 -0.488 6.195 146 2HB ARG 18 2HB ARG 18 -6.275 -0.809 4.495 147 1HG ARG 18 1HG ARG 18 -8.489 -1.712 5.116 148 2HG ARG 18 2HG ARG 18 -8.165 -1.269 6.794 149 1HD ARG 18 1HD ARG 18 -7.993 1.067 6.176 150 2HD ARG 18 2HD ARG 18 -8.207 0.657 4.474 151 HE ARG 18 HE ARG 18 -10.323 0.040 6.416 152 1HH1 ARG 18 1HH1 ARG 18 -9.201 1.737 3.587 153 2HH1 ARG 18 2HH1 ARG 18 -10.782 2.267 3.118 154 1HH2 ARG 18 1HH2 ARG 18 -12.409 0.732 5.807 155 2HH2 ARG 18 2HH2 ARG 18 -12.607 1.693 4.379 156 H GLY 19 H GLY 19 -5.388 -3.143 3.281 157 1HA GLY 19 1HA GLY 19 -7.407 -5.266 3.084 158 2HA GLY 19 2HA GLY 19 -7.443 -3.956 1.911 159 H THR 20 H THR 20 -5.523 -6.627 3.154 160 HA THR 20 HA THR 20 -3.289 -6.565 1.598 161 HB THR 20 HB THR 20 -3.558 -8.283 3.258 162 HG1 THR 20 1HG THR 20 -2.213 -8.775 1.431 163 1HG2 THR 20 1HG2 THR 20 -5.694 -9.444 1.466 164 2HG2 THR 20 2HG2 THR 20 -5.966 -8.658 3.022 165 3HG2 THR 20 3HG2 THR 20 -5.076 -10.179 2.946 166 H CYS 21 H CYS 21 -2.696 -7.058 -0.445 167 HA CYS 21 HA CYS 21 -4.842 -7.321 -2.408 168 1HB CYS 21 1HB CYS 21 -3.184 -5.528 -2.714 169 2HB CYS 21 2HB CYS 21 -1.898 -6.727 -2.780 170 H GLY 22 H GLY 22 -2.600 -9.259 -0.798 171 1HA GLY 22 1HA GLY 22 -3.362 -11.627 -2.077 172 2HA GLY 22 2HA GLY 22 -1.862 -11.089 -2.817 173 H ILE 23 H ILE 23 -1.195 -13.243 -1.921 174 HA ILE 23 HA ILE 23 -0.957 -13.729 0.828 175 HB ILE 23 HB ILE 23 0.862 -14.716 -1.373 176 1HG1 ILE 23 1HG1 ILE 23 -1.490 -15.232 -1.840 177 2HG1 ILE 23 2HG1 ILE 23 -0.599 -16.693 -1.429 178 1HG2 ILE 23 1HG2 ILE 23 1.297 -16.599 0.150 179 2HG2 ILE 23 2HG2 ILE 23 0.337 -15.795 1.393 180 3HG2 ILE 23 3HG2 ILE 23 1.832 -15.057 0.818 181 1HD1 ILE 23 1HD1 ILE 23 -2.781 -16.704 -0.393 182 2HD1 ILE 23 2HD1 ILE 23 -2.444 -15.160 0.390 183 3HD1 ILE 23 3HD1 ILE 23 -1.525 -16.597 0.841 184 H ARG 24 H ARG 24 1.526 -12.552 -1.450 185 HA ARG 24 HA ARG 24 2.990 -11.455 0.855 186 1HB ARG 24 1HB ARG 24 5.004 -11.557 -0.476 187 2HB ARG 24 2HB ARG 24 4.224 -13.131 -0.496 188 1HG ARG 24 1HG ARG 24 3.768 -11.157 -2.701 189 2HG ARG 24 2HG ARG 24 5.190 -12.201 -2.684 190 1HD ARG 24 1HD ARG 24 2.308 -13.086 -2.660 191 2HD ARG 24 2HD ARG 24 3.431 -13.206 -4.012 192 HE ARG 24 HE ARG 24 3.983 -14.621 -1.497 193 1HH1 ARG 24 1HH1 ARG 24 3.360 -14.655 -4.927 194 2HH1 ARG 24 2HH1 ARG 24 3.763 -16.329 -5.113 195 1HH2 ARG 24 1HH2 ARG 24 4.515 -16.826 -1.735 196 2HH2 ARG 24 2HH2 ARG 24 4.421 -17.562 -3.300 197 H PHE 25 H PHE 25 0.724 -10.351 -0.883 198 HA PHE 25 HA PHE 25 2.045 -7.932 -1.886 199 1HB PHE 25 1HB PHE 25 -0.746 -9.001 -2.345 200 2HB PHE 25 2HB PHE 25 -0.140 -7.484 -3.000 201 HD1 PHE 25 1HD PHE 25 1.344 -7.445 -4.867 202 HD2 PHE 25 2HD PHE 25 0.132 -11.143 -3.147 203 HE1 PHE 25 1HE PHE 25 2.238 -8.642 -6.821 204 HE2 PHE 25 2HE PHE 25 1.024 -12.347 -5.097 205 HZ PHE 25 HZ PHE 25 2.080 -11.097 -6.938 206 H LEU 26 H LEU 26 1.357 -5.872 -1.272 207 HA LEU 26 HA LEU 26 -0.326 -5.762 1.143 208 1HB LEU 26 1HB LEU 26 2.071 -4.010 0.590 209 2HB LEU 26 2HB LEU 26 1.081 -4.004 2.034 210 HG LEU 26 HG LEU 26 1.863 -6.474 2.273 211 1HD1 LEU 26 1HD1 LEU 26 2.944 -6.697 0.126 212 2HD1 LEU 26 2HD1 LEU 26 4.148 -6.820 1.408 213 3HD1 LEU 26 3HD1 LEU 26 3.997 -5.327 0.480 214 1HD2 LEU 26 1HD2 LEU 26 2.411 -4.703 3.840 215 2HD2 LEU 26 2HD2 LEU 26 3.701 -4.139 2.778 216 3HD2 LEU 26 3HD2 LEU 26 3.820 -5.722 3.547 217 H TYR 27 H TYR 27 -0.984 -3.362 1.556 218 HA TYR 27 HA TYR 27 -1.945 -2.315 -1.019 219 1HB TYR 27 1HB TYR 27 -3.391 -3.099 1.216 220 2HB TYR 27 2HB TYR 27 -3.356 -1.343 1.336 221 HD1 TYR 27 1HD TYR 27 -5.353 -0.455 0.578 222 HD2 TYR 27 2HD TYR 27 -3.618 -3.712 -1.538 223 HE1 TYR 27 1HE TYR 27 -7.143 -0.308 -1.102 224 HE2 TYR 27 2HE TYR 27 -5.402 -3.573 -3.226 225 HH TYR 27 HH TYR 27 -7.516 -0.935 -3.456 226 H CYS 28 H CYS 28 -1.238 -0.398 -1.651 227 HA CYS 28 HA CYS 28 -0.027 1.371 0.373 228 1HB CYS 28 1HB CYS 28 1.641 0.397 -1.149 229 2HB CYS 28 2HB CYS 28 0.767 1.056 -2.527 230 H CYS 29 H CYS 29 -1.025 3.221 0.662 231 HA CYS 29 HA CYS 29 -2.548 4.397 -1.569 232 1HB CYS 29 1HB CYS 29 -3.634 3.427 0.774 233 2HB CYS 29 2HB CYS 29 -3.445 5.141 1.125 234 HA PRO 30 HA PRO 30 -0.294 8.193 -1.369 235 1HB PRO 30 1HB PRO 30 -2.901 9.431 -0.555 236 2HB PRO 30 2HB PRO 30 -1.719 9.990 -1.745 237 1HG PRO 30 1HG PRO 30 -3.935 8.738 -2.530 238 2HG PRO 30 2HG PRO 30 -2.384 8.437 -3.336 239 1HD PRO 30 1HD PRO 30 -3.917 6.708 -1.481 240 2HD PRO 30 2HD PRO 30 -2.786 6.257 -2.771 241 H ARG 31 H ARG 31 0.660 9.607 0.122 242 HA ARG 31 HA ARG 31 1.117 8.784 2.662 243 1HB ARG 31 1HB ARG 31 2.349 10.594 1.501 244 2HB ARG 31 2HB ARG 31 1.002 11.680 1.809 245 1HG ARG 31 1HG ARG 31 2.727 12.099 3.415 246 2HG ARG 31 2HG ARG 31 1.351 11.361 4.237 247 1HD ARG 31 1HD ARG 31 2.465 9.214 4.251 248 2HD ARG 31 2HD ARG 31 3.803 9.869 3.308 249 HE ARG 31 HE ARG 31 3.523 11.373 5.661 250 1HH1 ARG 31 1HH1 ARG 31 4.496 8.189 4.624 251 2HH1 ARG 31 2HH1 ARG 31 5.583 7.951 5.951 252 1HH2 ARG 31 1HH2 ARG 31 4.955 11.068 7.405 253 2HH2 ARG 31 2HH2 ARG 31 5.847 9.589 7.529 254 H ARG 32 H ARG 32 -1.457 11.015 1.672 255 HA ARG 32 HA ARG 32 -2.424 11.630 4.229 256 1HB ARG 32 1HB ARG 32 -3.988 11.449 1.649 257 2HB ARG 32 2HB ARG 32 -4.491 12.301 3.101 258 1HG ARG 32 1HG ARG 32 -2.017 12.977 1.527 259 2HG ARG 32 2HG ARG 32 -3.582 13.760 1.304 260 1HD ARG 32 1HD ARG 32 -3.550 14.569 3.576 261 2HD ARG 32 2HD ARG 32 -2.066 13.678 3.910 262 HE ARG 32 HE ARG 32 -1.071 15.182 2.119 263 1HH1 ARG 32 1HH1 ARG 32 -3.715 16.158 4.170 264 2HH1 ARG 32 2HH1 ARG 32 -3.317 17.842 4.096 265 1HH2 ARG 32 1HH2 ARG 32 -0.542 17.393 2.018 266 2HH2 ARG 32 2HH2 ARG 32 -1.514 18.544 2.872 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -11.442 10.853 -3.584 2 2H GLY 1 2H GLY 1 -13.065 10.378 -3.533 3 3H GLY 1 3H GLY 1 -11.858 9.231 -3.828 4 1HA GLY 1 1HA GLY 1 -12.242 10.745 -1.303 5 2HA GLY 1 2HA GLY 1 -12.661 9.058 -1.557 6 H LEU 2 H LEU 2 -10.883 7.577 -2.099 7 HA LEU 2 HA LEU 2 -8.345 8.463 -0.895 8 1HB LEU 2 1HB LEU 2 -8.078 6.029 -0.236 9 2HB LEU 2 2HB LEU 2 -9.271 6.958 0.649 10 HG LEU 2 HG LEU 2 -10.944 5.946 -1.097 11 1HD1 LEU 2 1HD1 LEU 2 -9.316 4.897 -2.538 12 2HD1 LEU 2 2HD1 LEU 2 -10.301 3.660 -1.759 13 3HD1 LEU 2 3HD1 LEU 2 -8.666 3.975 -1.183 14 1HD2 LEU 2 1HD2 LEU 2 -9.752 4.323 1.149 15 2HD2 LEU 2 2HD2 LEU 2 -11.330 4.056 0.410 16 3HD2 LEU 2 3HD2 LEU 2 -11.016 5.544 1.304 17 H LEU 3 H LEU 3 -6.409 7.501 -1.711 18 HA LEU 3 HA LEU 3 -6.700 6.348 -4.405 19 1HB LEU 3 1HB LEU 3 -4.674 8.378 -3.467 20 2HB LEU 3 2HB LEU 3 -4.596 7.546 -5.008 21 HG LEU 3 HG LEU 3 -6.966 8.555 -5.391 22 1HD1 LEU 3 1HD1 LEU 3 -7.285 9.388 -3.122 23 2HD1 LEU 3 2HD1 LEU 3 -7.300 10.707 -4.290 24 3HD1 LEU 3 3HD1 LEU 3 -5.872 10.428 -3.297 25 1HD2 LEU 3 1HD2 LEU 3 -4.472 10.249 -5.441 26 2HD2 LEU 3 2HD2 LEU 3 -5.951 10.569 -6.348 27 3HD2 LEU 3 3HD2 LEU 3 -4.997 9.126 -6.696 28 H CYS 4 H CYS 4 -6.580 4.371 -2.985 29 HA CYS 4 HA CYS 4 -3.843 3.716 -2.171 30 1HB CYS 4 1HB CYS 4 -6.346 2.076 -1.754 31 2HB CYS 4 2HB CYS 4 -4.788 1.865 -0.961 32 H TYR 5 H TYR 5 -2.692 2.021 -3.067 33 HA TYR 5 HA TYR 5 -3.927 0.643 -5.354 34 1HB TYR 5 1HB TYR 5 -1.189 1.925 -5.296 35 2HB TYR 5 2HB TYR 5 -1.773 0.875 -6.583 36 HD1 TYR 5 1HD TYR 5 -3.722 1.616 -7.972 37 HD2 TYR 5 2HD TYR 5 -1.777 4.218 -5.227 38 HE1 TYR 5 1HE TYR 5 -4.728 3.551 -9.106 39 HE2 TYR 5 2HE TYR 5 -2.779 6.163 -6.351 40 HH TYR 5 HH TYR 5 -5.304 5.881 -8.608 41 H CYS 6 H CYS 6 -2.896 -1.355 -5.962 42 HA CYS 6 HA CYS 6 -1.993 -2.841 -3.651 43 1HB CYS 6 1HB CYS 6 -3.555 -4.012 -4.976 44 2HB CYS 6 2HB CYS 6 -2.732 -3.590 -6.473 45 H ARG 7 H ARG 7 0.070 -3.015 -3.114 46 HA ARG 7 HA ARG 7 2.106 -2.768 -5.229 47 1HB ARG 7 1HB ARG 7 2.216 -2.027 -2.308 48 2HB ARG 7 2HB ARG 7 3.638 -2.097 -3.333 49 1HG ARG 7 1HG ARG 7 1.257 -0.373 -3.947 50 2HG ARG 7 2HG ARG 7 2.635 0.178 -2.990 51 1HD ARG 7 1HD ARG 7 4.096 -0.504 -4.920 52 2HD ARG 7 2HD ARG 7 2.621 -0.733 -5.856 53 HE ARG 7 HE ARG 7 2.485 1.820 -4.816 54 1HH1 ARG 7 1HH1 ARG 7 4.604 0.006 -6.872 55 2HH1 ARG 7 2HH1 ARG 7 5.097 1.378 -7.813 56 1HH2 ARG 7 1HH2 ARG 7 3.113 3.652 -6.033 57 2HH2 ARG 7 2HH2 ARG 7 4.246 3.462 -7.330 58 H LYS 8 H LYS 8 4.151 -3.952 -4.789 59 HA LYS 8 HA LYS 8 3.659 -6.483 -3.363 60 1HB LYS 8 1HB LYS 8 3.482 -6.864 -5.769 61 2HB LYS 8 2HB LYS 8 5.052 -6.115 -6.022 62 1HG LYS 8 1HG LYS 8 6.089 -7.912 -4.686 63 2HG LYS 8 2HG LYS 8 4.506 -8.681 -4.542 64 1HD LYS 8 1HD LYS 8 4.387 -8.922 -6.964 65 2HD LYS 8 2HD LYS 8 5.942 -8.106 -7.135 66 1HE LYS 8 1HE LYS 8 5.492 -10.692 -5.651 67 2HE LYS 8 2HE LYS 8 6.122 -10.565 -7.293 68 1HZ LYS 8 1HZ LYS 8 7.397 -9.464 -4.847 69 2HZ LYS 8 2HZ LYS 8 7.996 -9.292 -6.420 70 3HZ LYS 8 3HZ LYS 8 7.911 -10.826 -5.711 71 H GLY 9 H GLY 9 5.176 -7.044 -1.929 72 1HA GLY 9 1HA GLY 9 7.306 -7.266 -1.007 73 2HA GLY 9 2HA GLY 9 7.936 -6.224 -2.274 74 H HIS 10 H HIS 10 7.024 -3.883 -2.089 75 HA HIS 10 HA HIS 10 6.411 -2.904 0.506 76 1HB HIS 10 1HB HIS 10 8.488 -1.700 0.958 77 2HB HIS 10 2HB HIS 10 8.787 -3.435 0.871 78 HD1 HIS 10 1HD HIS 10 8.858 -0.531 -1.578 79 HD2 HIS 10 2HD HIS 10 10.977 -3.969 -0.613 80 HE1 HIS 10 1HE HIS 10 10.775 -0.604 -3.177 81 HE2 HIS 10 2HE HIS 10 12.004 -2.736 -2.643 82 H CYS 11 H CYS 11 5.895 -0.698 0.516 83 HA CYS 11 HA CYS 11 5.742 0.494 -2.171 84 1HB CYS 11 1HB CYS 11 3.562 0.043 -1.130 85 2HB CYS 11 2HB CYS 11 4.013 1.033 0.253 86 H LYS 12 H LYS 12 5.702 2.938 -2.151 87 HA LYS 12 HA LYS 12 8.127 3.894 -1.076 88 1HB LYS 12 1HB LYS 12 5.940 5.758 -1.906 89 2HB LYS 12 2HB LYS 12 7.673 5.888 -2.171 90 1HG LYS 12 1HG LYS 12 5.996 3.792 -3.504 91 2HG LYS 12 2HG LYS 12 6.226 5.408 -4.182 92 1HD LYS 12 1HD LYS 12 8.652 5.052 -4.194 93 2HD LYS 12 2HD LYS 12 8.417 3.437 -3.521 94 1HE LYS 12 1HE LYS 12 8.772 3.353 -5.937 95 2HE LYS 12 2HE LYS 12 7.162 2.780 -5.504 96 1HZ LYS 12 1HZ LYS 12 7.811 5.490 -6.533 97 2HZ LYS 12 2HZ LYS 12 6.267 4.936 -6.123 98 3HZ LYS 12 3HZ LYS 12 7.095 4.241 -7.424 99 H ARG 13 H ARG 13 5.059 5.558 -0.511 100 HA ARG 13 HA ARG 13 5.654 5.623 2.367 101 1HB ARG 13 1HB ARG 13 4.417 8.032 1.137 102 2HB ARG 13 2HB ARG 13 5.492 7.907 2.521 103 1HG ARG 13 1HG ARG 13 6.895 8.912 1.046 104 2HG ARG 13 2HG ARG 13 7.235 7.225 0.653 105 1HD ARG 13 1HD ARG 13 5.712 7.318 -1.228 106 2HD ARG 13 2HD ARG 13 5.234 8.960 -0.796 107 HE ARG 13 HE ARG 13 8.053 8.537 -1.361 108 1HH1 ARG 13 1HH1 ARG 13 4.939 9.597 -2.514 109 2HH1 ARG 13 2HH1 ARG 13 5.596 10.508 -3.832 110 1HH2 ARG 13 1HH2 ARG 13 8.923 9.735 -3.095 111 2HH2 ARG 13 2HH2 ARG 13 7.857 10.588 -4.162 112 H GLY 14 H GLY 14 4.041 4.314 3.089 113 1HA GLY 14 1HA GLY 14 1.666 4.814 3.880 114 2HA GLY 14 2HA GLY 14 1.302 4.904 2.164 115 H GLU 15 H GLU 15 3.469 2.594 3.723 116 HA GLU 15 HA GLU 15 2.185 0.393 2.436 117 1HB GLU 15 1HB GLU 15 4.188 0.308 4.697 118 2HB GLU 15 2HB GLU 15 3.816 -0.989 3.568 119 1HG GLU 15 1HG GLU 15 4.659 0.528 1.739 120 2HG GLU 15 2HG GLU 15 5.233 1.596 3.020 121 H ARG 16 H ARG 16 0.273 -0.380 3.060 122 HA ARG 16 HA ARG 16 -0.217 -0.750 5.934 123 1HB ARG 16 1HB ARG 16 -2.274 0.254 3.961 124 2HB ARG 16 2HB ARG 16 -2.531 -0.037 5.675 125 1HG ARG 16 1HG ARG 16 -0.978 1.745 6.231 126 2HG ARG 16 2HG ARG 16 -0.659 2.018 4.517 127 1HD ARG 16 1HD ARG 16 -2.236 3.660 5.317 128 2HD ARG 16 2HD ARG 16 -3.040 2.568 4.191 129 HE ARG 16 HE ARG 16 -3.462 1.540 6.726 130 1HH1 ARG 16 1HH1 ARG 16 -4.223 4.456 4.978 131 2HH1 ARG 16 2HH1 ARG 16 -5.682 4.758 5.861 132 1HH2 ARG 16 1HH2 ARG 16 -5.381 1.929 7.894 133 2HH2 ARG 16 2HH2 ARG 16 -6.340 3.322 7.518 134 H VAL 17 H VAL 17 -2.255 -2.170 6.237 135 HA VAL 17 HA VAL 17 -2.420 -4.222 4.156 136 HB VAL 17 HB VAL 17 -0.791 -4.916 5.924 137 1HG1 VAL 17 1HG1 VAL 17 -3.224 -5.012 7.697 138 2HG1 VAL 17 2HG1 VAL 17 -1.884 -3.876 7.842 139 3HG1 VAL 17 3HG1 VAL 17 -1.612 -5.598 8.107 140 1HG2 VAL 17 1HG2 VAL 17 -1.640 -7.177 6.146 141 2HG2 VAL 17 2HG2 VAL 17 -1.982 -6.553 4.532 142 3HG2 VAL 17 3HG2 VAL 17 -3.266 -6.630 5.739 143 H ARG 18 H ARG 18 -4.243 -2.184 4.643 144 HA ARG 18 HA ARG 18 -6.401 -3.064 6.299 145 1HB ARG 18 1HB ARG 18 -6.128 -0.700 5.818 146 2HB ARG 18 2HB ARG 18 -6.289 -0.998 4.093 147 1HG ARG 18 1HG ARG 18 -8.333 -0.069 4.964 148 2HG ARG 18 2HG ARG 18 -8.605 -1.735 4.452 149 1HD ARG 18 1HD ARG 18 -9.704 -1.287 6.580 150 2HD ARG 18 2HD ARG 18 -8.421 -2.481 6.772 151 HE ARG 18 HE ARG 18 -7.479 0.148 7.309 152 1HH1 ARG 18 1HH1 ARG 18 -9.329 -2.474 8.668 153 2HH1 ARG 18 2HH1 ARG 18 -8.986 -2.037 10.309 154 1HH2 ARG 18 1HH2 ARG 18 -7.022 0.731 9.467 155 2HH2 ARG 18 2HH2 ARG 18 -7.677 -0.213 10.763 156 H GLY 19 H GLY 19 -5.550 -3.365 2.917 157 1HA GLY 19 1HA GLY 19 -7.709 -5.342 2.609 158 2HA GLY 19 2HA GLY 19 -7.501 -4.078 1.402 159 H THR 20 H THR 20 -5.953 -6.851 2.924 160 HA THR 20 HA THR 20 -3.599 -7.072 1.595 161 HB THR 20 HB THR 20 -4.156 -8.713 3.235 162 HG1 THR 20 1HG THR 20 -4.111 -10.638 1.430 163 1HG2 THR 20 1HG2 THR 20 -6.568 -8.817 2.887 164 2HG2 THR 20 2HG2 THR 20 -5.869 -10.436 2.857 165 3HG2 THR 20 3HG2 THR 20 -6.324 -9.644 1.348 166 H CYS 21 H CYS 21 -2.953 -7.216 -0.427 167 HA CYS 21 HA CYS 21 -4.911 -7.564 -2.544 168 1HB CYS 21 1HB CYS 21 -3.233 -5.742 -2.649 169 2HB CYS 21 2HB CYS 21 -1.953 -6.947 -2.709 170 H GLY 22 H GLY 22 -2.701 -9.459 -0.817 171 1HA GLY 22 1HA GLY 22 -3.344 -11.847 -2.095 172 2HA GLY 22 2HA GLY 22 -1.856 -11.266 -2.825 173 H ILE 23 H ILE 23 -0.737 -13.087 -2.015 174 HA ILE 23 HA ILE 23 -0.555 -13.431 0.864 175 HB ILE 23 HB ILE 23 0.790 -14.906 -1.405 176 1HG1 ILE 23 1HG1 ILE 23 -0.681 -16.789 -0.424 177 2HG1 ILE 23 2HG1 ILE 23 -1.564 -15.495 0.380 178 1HG2 ILE 23 1HG2 ILE 23 2.252 -14.944 0.513 179 2HG2 ILE 23 2HG2 ILE 23 1.500 -16.528 0.318 180 3HG2 ILE 23 3HG2 ILE 23 0.918 -15.423 1.562 181 1HD1 ILE 23 1HD1 ILE 23 -2.590 -16.245 -1.737 182 2HD1 ILE 23 2HD1 ILE 23 -1.156 -15.679 -2.594 183 3HD1 ILE 23 3HD1 ILE 23 -2.175 -14.531 -1.726 184 H ARG 24 H ARG 24 1.730 -12.803 -1.803 185 HA ARG 24 HA ARG 24 3.662 -11.770 0.138 186 1HB ARG 24 1HB ARG 24 5.276 -11.861 -1.700 187 2HB ARG 24 2HB ARG 24 4.481 -13.414 -1.483 188 1HG ARG 24 1HG ARG 24 2.913 -12.702 -3.349 189 2HG ARG 24 2HG ARG 24 4.055 -11.391 -3.659 190 1HD ARG 24 1HD ARG 24 4.500 -13.305 -5.106 191 2HD ARG 24 2HD ARG 24 5.841 -13.023 -3.995 192 HE ARG 24 HE ARG 24 4.287 -14.859 -2.716 193 1HH1 ARG 24 1HH1 ARG 24 5.804 -14.702 -5.851 194 2HH1 ARG 24 2HH1 ARG 24 6.026 -16.416 -5.969 195 1HH2 ARG 24 1HH2 ARG 24 4.575 -17.113 -2.866 196 2HH2 ARG 24 2HH2 ARG 24 5.325 -17.786 -4.275 197 H PHE 25 H PHE 25 1.121 -10.502 -1.162 198 HA PHE 25 HA PHE 25 2.391 -8.015 -2.083 199 1HB PHE 25 1HB PHE 25 -0.453 -8.969 -2.478 200 2HB PHE 25 2HB PHE 25 0.226 -7.476 -3.112 201 HD1 PHE 25 1HD PHE 25 0.405 -11.162 -3.321 202 HD2 PHE 25 2HD PHE 25 1.450 -7.447 -5.120 203 HE1 PHE 25 1HE PHE 25 1.107 -12.350 -5.360 204 HE2 PHE 25 2HE PHE 25 2.154 -8.628 -7.160 205 HZ PHE 25 HZ PHE 25 1.982 -11.081 -7.281 206 H LEU 26 H LEU 26 0.573 -6.151 -1.676 207 HA LEU 26 HA LEU 26 -0.695 -6.242 0.878 208 1HB LEU 26 1HB LEU 26 0.662 -4.583 2.013 209 2HB LEU 26 2HB LEU 26 1.629 -5.989 1.620 210 HG LEU 26 HG LEU 26 1.640 -3.537 -0.119 211 1HD1 LEU 26 1HD1 LEU 26 3.416 -4.109 2.248 212 2HD1 LEU 26 2HD1 LEU 26 2.224 -2.814 2.127 213 3HD1 LEU 26 3HD1 LEU 26 3.643 -2.806 1.081 214 1HD2 LEU 26 1HD2 LEU 26 3.854 -4.403 -0.752 215 2HD2 LEU 26 2HD2 LEU 26 2.566 -5.554 -1.103 216 3HD2 LEU 26 3HD2 LEU 26 3.600 -5.790 0.305 217 H TYR 27 H TYR 27 -1.210 -3.769 1.519 218 HA TYR 27 HA TYR 27 -2.068 -2.504 -0.995 219 1HB TYR 27 1HB TYR 27 -3.716 -3.570 0.926 220 2HB TYR 27 2HB TYR 27 -3.685 -1.862 1.354 221 HD1 TYR 27 1HD TYR 27 -3.989 -4.004 -1.685 222 HD2 TYR 27 2HD TYR 27 -5.264 -0.495 0.357 223 HE1 TYR 27 1HE TYR 27 -5.590 -3.537 -3.496 224 HE2 TYR 27 2HE TYR 27 -6.867 -0.020 -1.445 225 HH TYR 27 HH TYR 27 -7.696 -2.289 -3.820 226 H CYS 28 H CYS 28 -1.243 -0.607 -1.360 227 HA CYS 28 HA CYS 28 -0.215 0.979 0.895 228 1HB CYS 28 1HB CYS 28 1.471 0.298 -0.757 229 2HB CYS 28 2HB CYS 28 0.535 1.063 -2.035 230 H CYS 29 H CYS 29 -0.287 3.389 0.511 231 HA CYS 29 HA CYS 29 -2.313 4.406 -1.248 232 1HB CYS 29 1HB CYS 29 -3.413 3.371 0.932 233 2HB CYS 29 2HB CYS 29 -2.932 4.915 1.628 234 HA PRO 30 HA PRO 30 1.066 7.401 -0.365 235 1HB PRO 30 1HB PRO 30 0.607 8.805 -2.690 236 2HB PRO 30 2HB PRO 30 1.706 7.428 -2.551 237 1HG PRO 30 1HG PRO 30 -1.107 7.517 -3.558 238 2HG PRO 30 2HG PRO 30 0.283 6.615 -4.189 239 1HD PRO 30 1HD PRO 30 -1.617 5.420 -2.718 240 2HD PRO 30 2HD PRO 30 0.092 4.952 -2.586 241 H ARG 31 H ARG 31 0.742 9.105 0.889 242 HA ARG 31 HA ARG 31 -1.846 10.464 0.822 243 1HB ARG 31 1HB ARG 31 0.406 10.655 2.830 244 2HB ARG 31 2HB ARG 31 -1.175 11.408 2.988 245 1HG ARG 31 1HG ARG 31 -2.240 9.253 3.123 246 2HG ARG 31 2HG ARG 31 -0.704 8.439 2.814 247 1HD ARG 31 1HD ARG 31 -1.271 8.406 5.192 248 2HD ARG 31 2HD ARG 31 0.202 9.327 4.891 249 HE ARG 31 HE ARG 31 -2.224 10.896 5.002 250 1HH1 ARG 31 1HH1 ARG 31 0.487 9.597 6.765 251 2HH1 ARG 31 2HH1 ARG 31 0.381 10.763 8.041 252 1HH2 ARG 31 1HH2 ARG 31 -2.369 12.437 6.675 253 2HH2 ARG 31 2HH2 ARG 31 -1.245 12.377 7.991 254 H ARG 32 H ARG 32 -1.683 11.855 -0.917 255 HA ARG 32 HA ARG 32 0.592 13.658 -1.096 256 1HB ARG 32 1HB ARG 32 -1.870 13.416 -2.835 257 2HB ARG 32 2HB ARG 32 -0.488 14.452 -3.168 258 1HG ARG 32 1HG ARG 32 0.946 12.465 -3.321 259 2HG ARG 32 2HG ARG 32 -0.465 11.444 -3.035 260 1HD ARG 32 1HD ARG 32 -1.513 12.347 -5.063 261 2HD ARG 32 2HD ARG 32 -0.083 13.338 -5.352 262 HE ARG 32 HE ARG 32 0.676 10.636 -5.124 263 1HH1 ARG 32 1HH1 ARG 32 -0.995 12.799 -7.286 264 2HH1 ARG 32 2HH1 ARG 32 -0.594 11.895 -8.708 265 1HH2 ARG 32 1HH2 ARG 32 1.207 9.440 -6.992 266 2HH2 ARG 32 2HH2 ARG 32 0.657 9.986 -8.540 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -9.449 10.059 1.039 2 2H GLY 1 2H GLY 1 -10.286 10.057 -0.431 3 3H GLY 1 3H GLY 1 -9.422 11.430 0.048 4 1HA GLY 1 1HA GLY 1 -8.220 10.215 -1.659 5 2HA GLY 1 2HA GLY 1 -7.337 10.255 -0.140 6 H LEU 2 H LEU 2 -9.841 8.251 -1.698 7 HA LEU 2 HA LEU 2 -8.590 5.875 -0.535 8 1HB LEU 2 1HB LEU 2 -11.261 6.314 -1.864 9 2HB LEU 2 2HB LEU 2 -10.667 4.729 -1.409 10 HG LEU 2 HG LEU 2 -10.501 5.627 0.970 11 1HD1 LEU 2 1HD1 LEU 2 -12.217 7.797 -0.229 12 2HD1 LEU 2 2HD1 LEU 2 -10.610 7.998 0.470 13 3HD1 LEU 2 3HD1 LEU 2 -11.966 7.527 1.495 14 1HD2 LEU 2 1HD2 LEU 2 -12.235 4.074 0.267 15 2HD2 LEU 2 2HD2 LEU 2 -13.210 5.413 -0.337 16 3HD2 LEU 2 3HD2 LEU 2 -12.889 5.266 1.390 17 H LEU 3 H LEU 3 -7.035 6.957 -2.461 18 HA LEU 3 HA LEU 3 -7.490 5.248 -4.816 19 1HB LEU 3 1HB LEU 3 -5.895 7.803 -4.610 20 2HB LEU 3 2HB LEU 3 -6.072 6.831 -6.059 21 HG LEU 3 HG LEU 3 -8.345 8.221 -4.638 22 1HD1 LEU 3 1HD1 LEU 3 -6.883 8.970 -7.166 23 2HD1 LEU 3 2HD1 LEU 3 -6.801 9.826 -5.627 24 3HD1 LEU 3 3HD1 LEU 3 -8.318 9.771 -6.525 25 1HD2 LEU 3 1HD2 LEU 3 -8.218 6.781 -7.284 26 2HD2 LEU 3 2HD2 LEU 3 -9.604 7.682 -6.673 27 3HD2 LEU 3 3HD2 LEU 3 -9.058 6.230 -5.835 28 H CYS 4 H CYS 4 -6.487 3.734 -3.037 29 HA CYS 4 HA CYS 4 -3.626 3.923 -2.766 30 1HB CYS 4 1HB CYS 4 -5.260 1.471 -2.155 31 2HB CYS 4 2HB CYS 4 -3.767 2.013 -1.398 32 H TYR 5 H TYR 5 -2.560 1.537 -3.153 33 HA TYR 5 HA TYR 5 -3.287 0.520 -5.781 34 1HB TYR 5 1HB TYR 5 -0.583 1.737 -5.181 35 2HB TYR 5 2HB TYR 5 -0.935 0.755 -6.598 36 HD1 TYR 5 1HD TYR 5 -2.694 1.595 -8.232 37 HD2 TYR 5 2HD TYR 5 -1.035 4.042 -5.172 38 HE1 TYR 5 1HE TYR 5 -3.436 3.602 -9.443 39 HE2 TYR 5 2HE TYR 5 -1.773 6.055 -6.375 40 HH TYR 5 HH TYR 5 -3.976 5.966 -8.932 41 H CYS 6 H CYS 6 -1.787 -1.335 -6.391 42 HA CYS 6 HA CYS 6 -1.419 -3.012 -4.019 43 1HB CYS 6 1HB CYS 6 -2.805 -3.968 -5.754 44 2HB CYS 6 2HB CYS 6 -1.566 -3.668 -6.968 45 H ARG 7 H ARG 7 0.531 -3.630 -3.304 46 HA ARG 7 HA ARG 7 2.852 -3.266 -5.073 47 1HB ARG 7 1HB ARG 7 2.606 -2.370 -2.202 48 2HB ARG 7 2HB ARG 7 4.136 -2.472 -3.062 49 1HG ARG 7 1HG ARG 7 1.807 -0.772 -3.923 50 2HG ARG 7 2HG ARG 7 3.180 -0.192 -2.980 51 1HD ARG 7 1HD ARG 7 4.697 -0.763 -4.779 52 2HD ARG 7 2HD ARG 7 3.370 -1.453 -5.713 53 HE ARG 7 HE ARG 7 3.294 1.386 -4.979 54 1HH1 ARG 7 1HH1 ARG 7 3.504 -1.112 -7.393 55 2HH1 ARG 7 2HH1 ARG 7 3.236 -0.032 -8.722 56 1HH2 ARG 7 1HH2 ARG 7 2.940 2.820 -6.720 57 2HH2 ARG 7 2HH2 ARG 7 2.915 2.205 -8.339 58 H LYS 8 H LYS 8 4.850 -4.335 -4.084 59 HA LYS 8 HA LYS 8 4.128 -6.810 -2.673 60 1HB LYS 8 1HB LYS 8 4.306 -7.403 -5.009 61 2HB LYS 8 2HB LYS 8 5.847 -6.568 -5.146 62 1HG LYS 8 1HG LYS 8 6.820 -8.191 -3.551 63 2HG LYS 8 2HG LYS 8 5.284 -9.059 -3.552 64 1HD LYS 8 1HD LYS 8 6.908 -8.517 -6.033 65 2HD LYS 8 2HD LYS 8 7.029 -10.000 -5.085 66 1HE LYS 8 1HE LYS 8 4.529 -8.956 -6.411 67 2HE LYS 8 2HE LYS 8 5.541 -10.268 -7.014 68 1HZ LYS 8 1HZ LYS 8 4.002 -10.252 -4.474 69 2HZ LYS 8 2HZ LYS 8 5.054 -11.488 -4.952 70 3HZ LYS 8 3HZ LYS 8 3.660 -11.169 -5.856 71 H GLY 9 H GLY 9 5.128 -6.599 -0.766 72 1HA GLY 9 1HA GLY 9 7.157 -6.928 0.460 73 2HA GLY 9 2HA GLY 9 8.021 -6.078 -0.812 74 H HIS 10 H HIS 10 7.889 -3.782 -0.908 75 HA HIS 10 HA HIS 10 6.667 -2.435 1.375 76 1HB HIS 10 1HB HIS 10 9.075 -3.126 1.913 77 2HB HIS 10 2HB HIS 10 9.565 -1.936 0.711 78 HD1 HIS 10 1HD HIS 10 8.048 -2.236 4.120 79 HD2 HIS 10 2HD HIS 10 9.359 0.727 1.517 80 HE1 HIS 10 1HE HIS 10 8.114 -0.122 5.484 81 HE2 HIS 10 2HE HIS 10 8.919 1.655 3.892 82 H CYS 11 H CYS 11 5.502 -0.845 0.524 83 HA CYS 11 HA CYS 11 5.937 0.179 -2.094 84 1HB CYS 11 1HB CYS 11 3.706 0.046 -0.984 85 2HB CYS 11 2HB CYS 11 4.207 1.336 0.103 86 H LYS 12 H LYS 12 6.055 2.624 -2.459 87 HA LYS 12 HA LYS 12 8.304 3.637 -0.885 88 1HB LYS 12 1HB LYS 12 8.624 5.204 -2.809 89 2HB LYS 12 2HB LYS 12 8.813 3.503 -3.211 90 1HG LYS 12 1HG LYS 12 6.581 3.457 -4.170 91 2HG LYS 12 2HG LYS 12 6.342 5.147 -3.724 92 1HD LYS 12 1HD LYS 12 8.534 4.186 -5.556 93 2HD LYS 12 2HD LYS 12 6.970 4.777 -6.119 94 1HE LYS 12 1HE LYS 12 7.399 6.927 -5.013 95 2HE LYS 12 2HE LYS 12 8.973 6.333 -4.484 96 1HZ LYS 12 1HZ LYS 12 9.148 7.701 -6.472 97 2HZ LYS 12 2HZ LYS 12 8.119 6.654 -7.311 98 3HZ LYS 12 3HZ LYS 12 9.634 6.112 -6.792 99 H ARG 13 H ARG 13 4.985 4.138 -1.275 100 HA ARG 13 HA ARG 13 5.197 6.545 0.340 101 1HB ARG 13 1HB ARG 13 3.544 6.568 -2.182 102 2HB ARG 13 2HB ARG 13 3.805 7.886 -1.058 103 1HG ARG 13 1HG ARG 13 6.140 8.010 -1.685 104 2HG ARG 13 2HG ARG 13 5.927 6.644 -2.781 105 1HD ARG 13 1HD ARG 13 5.888 8.761 -3.994 106 2HD ARG 13 2HD ARG 13 4.333 7.937 -4.099 107 HE ARG 13 HE ARG 13 4.368 9.779 -1.938 108 1HH1 ARG 13 1HH1 ARG 13 4.130 9.601 -5.412 109 2HH1 ARG 13 2HH1 ARG 13 3.220 11.069 -5.552 110 1HH2 ARG 13 1HH2 ARG 13 3.172 11.708 -2.115 111 2HH2 ARG 13 2HH2 ARG 13 2.676 12.266 -3.678 112 H GLY 14 H GLY 14 4.259 5.330 2.013 113 1HA GLY 14 1HA GLY 14 2.288 5.129 3.287 114 2HA GLY 14 2HA GLY 14 1.351 5.170 1.806 115 H GLU 15 H GLU 15 3.719 3.109 3.491 116 HA GLU 15 HA GLU 15 2.665 0.727 2.231 117 1HB GLU 15 1HB GLU 15 4.650 0.916 4.504 118 2HB GLU 15 2HB GLU 15 4.370 -0.466 3.458 119 1HG GLU 15 1HG GLU 15 6.354 0.481 2.695 120 2HG GLU 15 2HG GLU 15 5.130 1.010 1.546 121 H ARG 16 H ARG 16 0.788 -0.126 2.939 122 HA ARG 16 HA ARG 16 0.416 -0.417 5.823 123 1HB ARG 16 1HB ARG 16 -1.630 0.827 3.982 124 2HB ARG 16 2HB ARG 16 -1.949 0.331 5.639 125 1HG ARG 16 1HG ARG 16 -0.285 1.932 6.439 126 2HG ARG 16 2HG ARG 16 0.030 2.432 4.776 127 1HD ARG 16 1HD ARG 16 -2.301 3.156 4.561 128 2HD ARG 16 2HD ARG 16 -2.605 2.664 6.227 129 HE ARG 16 HE ARG 16 -0.450 4.502 6.095 130 1HH1 ARG 16 1HH1 ARG 16 -3.923 4.310 5.905 131 2HH1 ARG 16 2HH1 ARG 16 -4.172 5.934 6.455 132 1HH2 ARG 16 1HH2 ARG 16 -0.765 6.641 6.816 133 2HH2 ARG 16 2HH2 ARG 16 -2.375 7.260 6.971 134 H VAL 17 H VAL 17 -1.464 -1.817 6.349 135 HA VAL 17 HA VAL 17 -1.990 -3.821 4.270 136 HB VAL 17 HB VAL 17 -0.219 -4.627 5.813 137 1HG1 VAL 17 1HG1 VAL 17 -2.363 -4.494 7.926 138 2HG1 VAL 17 2HG1 VAL 17 -0.944 -3.452 7.829 139 3HG1 VAL 17 3HG1 VAL 17 -0.750 -5.181 8.116 140 1HG2 VAL 17 1HG2 VAL 17 -2.813 -6.146 6.054 141 2HG2 VAL 17 2HG2 VAL 17 -1.192 -6.809 6.242 142 3HG2 VAL 17 3HG2 VAL 17 -1.719 -6.202 4.673 143 H ARG 18 H ARG 18 -3.701 -1.772 4.800 144 HA ARG 18 HA ARG 18 -5.627 -2.232 6.804 145 1HB ARG 18 1HB ARG 18 -5.277 -0.145 5.323 146 2HB ARG 18 2HB ARG 18 -6.251 -0.989 4.129 147 1HG ARG 18 1HG ARG 18 -7.262 -0.605 6.916 148 2HG ARG 18 2HG ARG 18 -7.383 0.690 5.725 149 1HD ARG 18 1HD ARG 18 -8.647 -0.763 4.244 150 2HD ARG 18 2HD ARG 18 -8.474 -2.101 5.379 151 HE ARG 18 HE ARG 18 -9.664 -0.129 6.836 152 1HH1 ARG 18 1HH1 ARG 18 -10.406 -1.744 3.839 153 2HH1 ARG 18 2HH1 ARG 18 -12.120 -1.576 4.023 154 1HH2 ARG 18 1HH2 ARG 18 -11.916 0.095 7.089 155 2HH2 ARG 18 2HH2 ARG 18 -12.979 -0.531 5.874 156 H GLY 19 H GLY 19 -5.615 -3.021 3.354 157 1HA GLY 19 1HA GLY 19 -7.600 -5.134 3.905 158 2HA GLY 19 2HA GLY 19 -7.487 -4.268 2.377 159 H THR 20 H THR 20 -6.473 -5.301 0.798 160 HA THR 20 HA THR 20 -3.974 -6.511 1.008 161 HB THR 20 HB THR 20 -4.995 -8.262 2.312 162 HG1 THR 20 1HG THR 20 -4.552 -10.048 0.854 163 1HG2 THR 20 1HG2 THR 20 -7.317 -7.968 1.582 164 2HG2 THR 20 2HG2 THR 20 -6.812 -9.652 1.441 165 3HG2 THR 20 3HG2 THR 20 -6.906 -8.636 0.003 166 H CYS 21 H CYS 21 -3.327 -7.638 -0.976 167 HA CYS 21 HA CYS 21 -5.060 -6.939 -3.252 168 1HB CYS 21 1HB CYS 21 -3.216 -5.438 -3.322 169 2HB CYS 21 2HB CYS 21 -2.066 -6.723 -2.971 170 H GLY 22 H GLY 22 -2.726 -9.202 -1.910 171 1HA GLY 22 1HA GLY 22 -3.911 -11.358 -3.424 172 2HA GLY 22 2HA GLY 22 -2.259 -10.984 -3.892 173 H ILE 23 H ILE 23 -1.249 -12.794 -3.174 174 HA ILE 23 HA ILE 23 -1.775 -13.958 -0.617 175 HB ILE 23 HB ILE 23 0.602 -14.422 -2.422 176 1HG1 ILE 23 1HG1 ILE 23 -2.014 -15.940 -2.280 177 2HG1 ILE 23 2HG1 ILE 23 -1.591 -14.794 -3.548 178 1HG2 ILE 23 1HG2 ILE 23 -0.592 -16.129 -0.240 179 2HG2 ILE 23 2HG2 ILE 23 0.912 -15.215 -0.130 180 3HG2 ILE 23 3HG2 ILE 23 0.780 -16.561 -1.261 181 1HD1 ILE 23 1HD1 ILE 23 0.275 -16.216 -4.211 182 2HD1 ILE 23 2HD1 ILE 23 -1.259 -17.082 -4.278 183 3HD1 ILE 23 3HD1 ILE 23 -0.147 -17.362 -2.940 184 H ARG 24 H ARG 24 1.256 -12.562 -1.894 185 HA ARG 24 HA ARG 24 1.991 -11.832 0.850 186 1HB ARG 24 1HB ARG 24 4.275 -11.592 -0.020 187 2HB ARG 24 2HB ARG 24 3.622 -13.190 -0.355 188 1HG ARG 24 1HG ARG 24 3.119 -12.481 -2.654 189 2HG ARG 24 2HG ARG 24 3.836 -10.907 -2.308 190 1HD ARG 24 1HD ARG 24 5.253 -13.568 -2.181 191 2HD ARG 24 2HD ARG 24 5.413 -12.375 -3.469 192 HE ARG 24 HE ARG 24 6.145 -10.923 -1.381 193 1HH1 ARG 24 1HH1 ARG 24 7.005 -14.191 -2.230 194 2HH1 ARG 24 2HH1 ARG 24 8.562 -14.115 -1.474 195 1HH2 ARG 24 1HH2 ARG 24 8.193 -10.815 -0.382 196 2HH2 ARG 24 2HH2 ARG 24 9.236 -12.197 -0.422 197 H PHE 25 H PHE 25 0.650 -10.483 -1.877 198 HA PHE 25 HA PHE 25 1.904 -7.967 -2.019 199 1HB PHE 25 1HB PHE 25 -0.923 -8.773 -2.726 200 2HB PHE 25 2HB PHE 25 -0.183 -7.238 -3.163 201 HD1 PHE 25 1HD PHE 25 -0.270 -10.831 -3.817 202 HD2 PHE 25 2HD PHE 25 1.500 -7.112 -4.890 203 HE1 PHE 25 1HE PHE 25 0.620 -11.852 -5.872 204 HE2 PHE 25 2HE PHE 25 2.392 -8.125 -6.946 205 HZ PHE 25 HZ PHE 25 1.952 -10.498 -7.440 206 H LEU 26 H LEU 26 0.832 -5.884 -1.469 207 HA LEU 26 HA LEU 26 -0.813 -5.985 0.945 208 1HB LEU 26 1HB LEU 26 0.597 -4.338 2.079 209 2HB LEU 26 2HB LEU 26 1.461 -5.832 1.781 210 HG LEU 26 HG LEU 26 1.746 -3.500 -0.083 211 1HD1 LEU 26 1HD1 LEU 26 2.213 -2.654 2.159 212 2HD1 LEU 26 2HD1 LEU 26 3.690 -2.775 1.202 213 3HD1 LEU 26 3HD1 LEU 26 3.336 -3.988 2.432 214 1HD2 LEU 26 1HD2 LEU 26 3.938 -4.536 -0.488 215 2HD2 LEU 26 2HD2 LEU 26 2.610 -5.640 -0.839 216 3HD2 LEU 26 3HD2 LEU 26 3.531 -5.817 0.653 217 H TYR 27 H TYR 27 -1.294 -3.548 1.597 218 HA TYR 27 HA TYR 27 -2.169 -2.283 -0.909 219 1HB TYR 27 1HB TYR 27 -3.694 -3.123 1.221 220 2HB TYR 27 2HB TYR 27 -3.525 -1.395 1.525 221 HD1 TYR 27 1HD TYR 27 -5.386 -0.231 0.809 222 HD2 TYR 27 2HD TYR 27 -3.961 -3.479 -1.540 223 HE1 TYR 27 1HE TYR 27 -7.124 0.230 -0.869 224 HE2 TYR 27 2HE TYR 27 -5.691 -3.024 -3.229 225 HH TYR 27 HH TYR 27 -7.546 -0.169 -3.242 226 H CYS 28 H CYS 28 -1.190 -0.509 -1.470 227 HA CYS 28 HA CYS 28 0.101 1.139 0.598 228 1HB CYS 28 1HB CYS 28 1.711 0.308 -0.984 229 2HB CYS 28 2HB CYS 28 0.710 0.806 -2.343 230 H CYS 29 H CYS 29 -1.103 2.839 1.142 231 HA CYS 29 HA CYS 29 -2.807 4.067 -0.910 232 1HB CYS 29 1HB CYS 29 -2.888 4.304 2.104 233 2HB CYS 29 2HB CYS 29 -3.966 5.149 0.999 234 HA PRO 30 HA PRO 30 -0.232 7.656 -1.053 235 1HB PRO 30 1HB PRO 30 -1.965 9.487 -1.989 236 2HB PRO 30 2HB PRO 30 -1.399 8.141 -2.987 237 1HG PRO 30 1HG PRO 30 -3.973 8.430 -1.483 238 2HG PRO 30 2HG PRO 30 -3.701 7.823 -3.127 239 1HD PRO 30 1HD PRO 30 -4.060 6.194 -0.973 240 2HD PRO 30 2HD PRO 30 -3.095 5.736 -2.390 241 H ARG 31 H ARG 31 0.071 9.788 -0.163 242 HA ARG 31 HA ARG 31 -0.799 9.994 2.533 243 1HB ARG 31 1HB ARG 31 1.400 10.777 1.870 244 2HB ARG 31 2HB ARG 31 0.685 11.948 0.770 245 1HG ARG 31 1HG ARG 31 -0.317 13.113 2.687 246 2HG ARG 31 2HG ARG 31 0.454 11.956 3.773 247 1HD ARG 31 1HD ARG 31 1.720 14.053 3.603 248 2HD ARG 31 2HD ARG 31 2.646 12.669 3.025 249 HE ARG 31 HE ARG 31 1.782 13.488 0.730 250 1HH1 ARG 31 1HH1 ARG 31 2.676 15.519 3.419 251 2HH1 ARG 31 2HH1 ARG 31 3.150 16.852 2.419 252 1HH2 ARG 31 1HH2 ARG 31 2.401 15.235 -0.591 253 2HH2 ARG 31 2HH2 ARG 31 2.990 16.692 0.139 254 H ARG 32 H ARG 32 -1.977 11.260 -0.470 255 HA ARG 32 HA ARG 32 -3.754 13.108 0.955 256 1HB ARG 32 1HB ARG 32 -4.255 14.036 -1.303 257 2HB ARG 32 2HB ARG 32 -2.568 14.180 -0.832 258 1HG ARG 32 1HG ARG 32 -2.008 12.261 -2.235 259 2HG ARG 32 2HG ARG 32 -3.704 12.108 -2.701 260 1HD ARG 32 1HD ARG 32 -3.591 14.431 -3.603 261 2HD ARG 32 2HD ARG 32 -1.859 14.423 -3.273 262 HE ARG 32 HE ARG 32 -2.733 12.221 -4.899 263 1HH1 ARG 32 1HH1 ARG 32 -1.680 15.544 -4.904 264 2HH1 ARG 32 2HH1 ARG 32 -1.135 15.502 -6.547 265 1HH2 ARG 32 1HH2 ARG 32 -2.019 12.159 -7.062 266 2HH2 ARG 32 2HH2 ARG 32 -1.329 13.578 -7.774 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -7.197 12.607 -5.262 2 2H GLY 1 2H GLY 1 -6.084 12.781 -6.524 3 3H GLY 1 3H GLY 1 -5.537 12.585 -4.936 4 1HA GLY 1 1HA GLY 1 -7.045 10.551 -6.484 5 2HA GLY 1 2HA GLY 1 -5.305 10.539 -6.240 6 H LEU 2 H LEU 2 -8.374 10.580 -4.447 7 HA LEU 2 HA LEU 2 -7.068 9.380 -2.138 8 1HB LEU 2 1HB LEU 2 -8.712 11.195 -1.825 9 2HB LEU 2 2HB LEU 2 -9.950 10.185 -2.546 10 HG LEU 2 HG LEU 2 -9.643 8.558 -0.682 11 1HD1 LEU 2 1HD1 LEU 2 -7.909 10.736 0.476 12 2HD1 LEU 2 2HD1 LEU 2 -7.360 9.151 -0.065 13 3HD1 LEU 2 3HD1 LEU 2 -8.445 9.284 1.319 14 1HD2 LEU 2 1HD2 LEU 2 -10.815 9.910 0.990 15 2HD2 LEU 2 2HD2 LEU 2 -11.443 10.201 -0.631 16 3HD2 LEU 2 3HD2 LEU 2 -10.364 11.376 0.121 17 H LEU 3 H LEU 3 -6.535 7.367 -3.139 18 HA LEU 3 HA LEU 3 -8.543 5.369 -2.747 19 1HB LEU 3 1HB LEU 3 -9.153 6.160 -4.997 20 2HB LEU 3 2HB LEU 3 -7.525 5.822 -5.555 21 HG LEU 3 HG LEU 3 -7.910 3.408 -5.028 22 1HD1 LEU 3 1HD1 LEU 3 -10.760 4.308 -4.634 23 2HD1 LEU 3 2HD1 LEU 3 -9.686 3.692 -3.377 24 3HD1 LEU 3 3HD1 LEU 3 -10.197 2.638 -4.696 25 1HD2 LEU 3 1HD2 LEU 3 -8.126 4.201 -7.297 26 2HD2 LEU 3 2HD2 LEU 3 -9.783 4.723 -6.991 27 3HD2 LEU 3 3HD2 LEU 3 -9.382 3.006 -6.970 28 H CYS 4 H CYS 4 -7.569 3.590 -2.026 29 HA CYS 4 HA CYS 4 -4.707 3.433 -1.977 30 1HB CYS 4 1HB CYS 4 -6.725 1.350 -1.115 31 2HB CYS 4 2HB CYS 4 -5.028 1.424 -0.652 32 H TYR 5 H TYR 5 -3.464 1.594 -2.742 33 HA TYR 5 HA TYR 5 -4.671 0.191 -5.024 34 1HB TYR 5 1HB TYR 5 -1.965 1.544 -5.026 35 2HB TYR 5 2HB TYR 5 -2.602 0.540 -6.324 36 HD1 TYR 5 1HD TYR 5 -4.762 1.324 -7.469 37 HD2 TYR 5 2HD TYR 5 -2.397 3.836 -4.979 38 HE1 TYR 5 1HE TYR 5 -5.799 3.305 -8.492 39 HE2 TYR 5 2HE TYR 5 -3.429 5.824 -5.993 40 HH TYR 5 HH TYR 5 -6.204 5.667 -7.938 41 H CYS 6 H CYS 6 -3.133 -1.562 -5.831 42 HA CYS 6 HA CYS 6 -2.098 -3.030 -3.499 43 1HB CYS 6 1HB CYS 6 -3.797 -4.314 -4.504 44 2HB CYS 6 2HB CYS 6 -3.275 -3.896 -6.133 45 H ARG 7 H ARG 7 0.029 -3.416 -3.348 46 HA ARG 7 HA ARG 7 1.644 -3.251 -5.802 47 1HB ARG 7 1HB ARG 7 2.350 -2.011 -3.136 48 2HB ARG 7 2HB ARG 7 3.420 -2.090 -4.531 49 1HG ARG 7 1HG ARG 7 1.670 -0.800 -5.803 50 2HG ARG 7 2HG ARG 7 0.856 -0.547 -4.259 51 1HD ARG 7 1HD ARG 7 2.841 0.554 -3.379 52 2HD ARG 7 2HD ARG 7 3.690 0.264 -4.895 53 HE ARG 7 HE ARG 7 1.439 2.116 -4.514 54 1HH1 ARG 7 1HH1 ARG 7 4.107 0.924 -6.412 55 2HH1 ARG 7 2HH1 ARG 7 4.057 2.237 -7.540 56 1HH2 ARG 7 1HH2 ARG 7 1.364 3.843 -5.997 57 2HH2 ARG 7 2HH2 ARG 7 2.500 3.896 -7.303 58 H LYS 8 H LYS 8 3.935 -4.097 -5.368 59 HA LYS 8 HA LYS 8 3.695 -6.569 -3.786 60 1HB LYS 8 1HB LYS 8 3.846 -7.037 -6.155 61 2HB LYS 8 2HB LYS 8 5.268 -6.015 -6.305 62 1HG LYS 8 1HG LYS 8 6.511 -7.561 -4.854 63 2HG LYS 8 2HG LYS 8 5.088 -8.601 -4.773 64 1HD LYS 8 1HD LYS 8 5.175 -8.961 -7.168 65 2HD LYS 8 2HD LYS 8 6.530 -7.840 -7.311 66 1HE LYS 8 1HE LYS 8 7.895 -9.317 -5.915 67 2HE LYS 8 2HE LYS 8 6.541 -10.437 -5.775 68 1HZ LYS 8 1HZ LYS 8 7.907 -9.692 -8.305 69 2HZ LYS 8 2HZ LYS 8 6.619 -10.778 -8.163 70 3HZ LYS 8 3HZ LYS 8 8.115 -11.147 -7.465 71 H GLY 9 H GLY 9 4.768 -6.369 -1.929 72 1HA GLY 9 1HA GLY 9 6.722 -6.357 -0.648 73 2HA GLY 9 2HA GLY 9 7.591 -5.688 -2.019 74 H HIS 10 H HIS 10 8.053 -3.579 -2.026 75 HA HIS 10 HA HIS 10 7.201 -2.006 0.270 76 1HB HIS 10 1HB HIS 10 9.490 -1.997 -1.569 77 2HB HIS 10 2HB HIS 10 8.906 -0.393 -1.137 78 HD1 HIS 10 1HD HIS 10 10.020 -3.588 0.597 79 HD2 HIS 10 2HD HIS 10 9.847 0.515 1.238 80 HE1 HIS 10 1HE HIS 10 11.195 -3.199 2.787 81 HE2 HIS 10 2HE HIS 10 11.023 -0.717 3.186 82 H CYS 11 H CYS 11 6.906 0.397 -0.176 83 HA CYS 11 HA CYS 11 5.401 0.907 -2.637 84 1HB CYS 11 1HB CYS 11 4.378 1.380 0.168 85 2HB CYS 11 2HB CYS 11 3.617 2.027 -1.275 86 H LYS 12 H LYS 12 4.542 3.448 -2.153 87 HA LYS 12 HA LYS 12 7.078 4.875 -1.784 88 1HB LYS 12 1HB LYS 12 6.183 6.636 -3.163 89 2HB LYS 12 2HB LYS 12 5.993 5.100 -3.995 90 1HG LYS 12 1HG LYS 12 3.649 5.026 -3.389 91 2HG LYS 12 2HG LYS 12 3.823 6.518 -2.462 92 1HD LYS 12 1HD LYS 12 2.880 7.155 -4.531 93 2HD LYS 12 2HD LYS 12 4.581 7.609 -4.620 94 1HE LYS 12 1HE LYS 12 3.526 5.011 -5.708 95 2HE LYS 12 2HE LYS 12 3.598 6.485 -6.670 96 1HZ LYS 12 1HZ LYS 12 5.549 5.277 -7.129 97 2HZ LYS 12 2HZ LYS 12 5.858 4.973 -5.497 98 3HZ LYS 12 3HZ LYS 12 6.031 6.539 -6.110 99 H ARG 13 H ARG 13 3.824 4.638 -0.620 100 HA ARG 13 HA ARG 13 4.480 6.172 1.699 101 1HB ARG 13 1HB ARG 13 3.129 7.448 -0.570 102 2HB ARG 13 2HB ARG 13 2.303 7.646 0.960 103 1HG ARG 13 1HG ARG 13 4.164 8.736 1.936 104 2HG ARG 13 2HG ARG 13 5.207 8.294 0.584 105 1HD ARG 13 1HD ARG 13 3.770 9.666 -0.903 106 2HD ARG 13 2HD ARG 13 2.865 10.188 0.518 107 HE ARG 13 HE ARG 13 5.617 10.693 0.890 108 1HH1 ARG 13 1HH1 ARG 13 2.860 11.835 -0.909 109 2HH1 ARG 13 2HH1 ARG 13 3.460 13.453 -1.051 110 1HH2 ARG 13 1HH2 ARG 13 6.416 12.822 0.704 111 2HH2 ARG 13 2HH2 ARG 13 5.481 14.013 -0.137 112 H GLY 14 H GLY 14 3.156 5.702 3.381 113 1HA GLY 14 1HA GLY 14 1.478 4.709 4.585 114 2HA GLY 14 2HA GLY 14 0.449 4.954 3.184 115 H GLU 15 H GLU 15 2.808 2.776 4.643 116 HA GLU 15 HA GLU 15 1.868 0.602 2.909 117 1HB GLU 15 1HB GLU 15 4.327 0.959 4.607 118 2HB GLU 15 2HB GLU 15 3.850 -0.621 4.002 119 1HG GLU 15 1HG GLU 15 4.166 0.012 1.776 120 2HG GLU 15 2HG GLU 15 4.229 1.728 2.181 121 H ARG 16 H ARG 16 0.240 -0.570 3.707 122 HA ARG 16 HA ARG 16 0.385 -1.447 6.492 123 1HB ARG 16 1HB ARG 16 -2.095 -0.230 5.264 124 2HB ARG 16 2HB ARG 16 -2.002 -0.972 6.855 125 1HG ARG 16 1HG ARG 16 -0.270 0.758 7.440 126 2HG ARG 16 2HG ARG 16 -0.681 1.562 5.923 127 1HD ARG 16 1HD ARG 16 -1.923 2.592 7.700 128 2HD ARG 16 2HD ARG 16 -3.039 1.679 6.686 129 HE ARG 16 HE ARG 16 -2.289 -0.018 8.731 130 1HH1 ARG 16 1HH1 ARG 16 -3.887 3.064 8.430 131 2HH1 ARG 16 2HH1 ARG 16 -4.845 2.851 9.856 132 1HH2 ARG 16 1HH2 ARG 16 -3.548 -0.307 10.610 133 2HH2 ARG 16 2HH2 ARG 16 -4.655 0.935 11.094 134 H VAL 17 H VAL 17 -1.337 -3.150 6.941 135 HA VAL 17 HA VAL 17 -1.764 -4.809 4.548 136 HB VAL 17 HB VAL 17 -1.175 -6.004 7.244 137 1HG1 VAL 17 1HG1 VAL 17 -0.581 -7.969 5.918 138 2HG1 VAL 17 2HG1 VAL 17 -0.935 -7.080 4.436 139 3HG1 VAL 17 3HG1 VAL 17 -2.229 -7.443 5.577 140 1HG2 VAL 17 1HG2 VAL 17 1.153 -6.310 6.531 141 2HG2 VAL 17 2HG2 VAL 17 0.736 -4.604 6.689 142 3HG2 VAL 17 3HG2 VAL 17 0.833 -5.344 5.091 143 H ARG 18 H ARG 18 -3.721 -3.115 5.413 144 HA ARG 18 HA ARG 18 -5.525 -4.348 7.254 145 1HB ARG 18 1HB ARG 18 -5.617 -1.945 6.883 146 2HB ARG 18 2HB ARG 18 -5.963 -2.190 5.177 147 1HG ARG 18 1HG ARG 18 -8.084 -3.324 5.848 148 2HG ARG 18 2HG ARG 18 -7.745 -2.842 7.512 149 1HD ARG 18 1HD ARG 18 -7.815 -0.514 6.905 150 2HD ARG 18 2HD ARG 18 -7.968 -0.924 5.196 151 HE ARG 18 HE ARG 18 -10.053 -1.796 7.063 152 1HH1 ARG 18 1HH1 ARG 18 -9.038 0.221 4.406 153 2HH1 ARG 18 2HH1 ARG 18 -10.650 0.661 3.955 154 1HH2 ARG 18 1HH2 ARG 18 -12.180 -1.221 6.474 155 2HH2 ARG 18 2HH2 ARG 18 -12.437 -0.158 5.131 156 H GLY 19 H GLY 19 -5.728 -3.823 3.740 157 1HA GLY 19 1HA GLY 19 -7.405 -6.248 3.560 158 2HA GLY 19 2HA GLY 19 -7.517 -4.881 2.457 159 H THR 20 H THR 20 -5.343 -7.441 3.565 160 HA THR 20 HA THR 20 -3.239 -7.262 1.880 161 HB THR 20 HB THR 20 -3.283 -9.030 3.482 162 HG1 THR 20 1HG THR 20 -2.018 -9.604 1.746 163 1HG2 THR 20 1HG2 THR 20 -5.671 -9.495 3.513 164 2HG2 THR 20 2HG2 THR 20 -4.766 -10.987 3.252 165 3HG2 THR 20 3HG2 THR 20 -5.576 -10.198 1.899 166 H CYS 21 H CYS 21 -2.858 -7.321 -0.212 167 HA CYS 21 HA CYS 21 -5.035 -7.708 -2.064 168 1HB CYS 21 1HB CYS 21 -3.540 -5.873 -2.481 169 2HB CYS 21 2HB CYS 21 -2.138 -6.937 -2.431 170 H GLY 22 H GLY 22 -2.322 -9.515 -0.894 171 1HA GLY 22 1HA GLY 22 -3.228 -11.914 -2.097 172 2HA GLY 22 2HA GLY 22 -1.860 -11.278 -2.995 173 H ILE 23 H ILE 23 -0.877 -13.341 -2.337 174 HA ILE 23 HA ILE 23 -0.306 -13.955 0.355 175 HB ILE 23 HB ILE 23 1.334 -14.726 -2.061 176 1HG1 ILE 23 1HG1 ILE 23 -1.013 -15.310 -2.420 177 2HG1 ILE 23 2HG1 ILE 23 -0.057 -16.760 -2.140 178 1HG2 ILE 23 1HG2 ILE 23 1.020 -16.051 0.630 179 2HG2 ILE 23 2HG2 ILE 23 2.428 -15.144 0.082 180 3HG2 ILE 23 3HG2 ILE 23 1.988 -16.654 -0.717 181 1HD1 ILE 23 1HD1 ILE 23 -1.843 -15.389 -0.141 182 2HD1 ILE 23 2HD1 ILE 23 -0.850 -16.810 0.182 183 3HD1 ILE 23 3HD1 ILE 23 -2.169 -16.904 -0.984 184 H ARG 24 H ARG 24 1.685 -12.396 -2.152 185 HA ARG 24 HA ARG 24 3.501 -11.458 -0.036 186 1HB ARG 24 1HB ARG 24 5.166 -11.153 -1.798 187 2HB ARG 24 2HB ARG 24 4.562 -12.805 -1.789 188 1HG ARG 24 1HG ARG 24 3.046 -12.206 -3.658 189 2HG ARG 24 2HG ARG 24 3.804 -10.613 -3.707 190 1HD ARG 24 1HD ARG 24 4.819 -12.006 -5.383 191 2HD ARG 24 2HD ARG 24 5.989 -11.720 -4.094 192 HE ARG 24 HE ARG 24 4.504 -14.140 -3.731 193 1HH1 ARG 24 1HH1 ARG 24 7.233 -12.706 -5.357 194 2HH1 ARG 24 2HH1 ARG 24 8.083 -14.206 -5.526 195 1HH2 ARG 24 1HH2 ARG 24 5.618 -16.117 -3.949 196 2HH2 ARG 24 2HH2 ARG 24 7.166 -16.144 -4.725 197 H PHE 25 H PHE 25 1.003 -10.442 -2.000 198 HA PHE 25 HA PHE 25 1.950 -7.758 -2.480 199 1HB PHE 25 1HB PHE 25 -0.818 -8.937 -2.804 200 2HB PHE 25 2HB PHE 25 -0.299 -7.362 -3.391 201 HD1 PHE 25 1HD PHE 25 -0.058 -10.981 -3.872 202 HD2 PHE 25 2HD PHE 25 1.088 -7.157 -5.344 203 HE1 PHE 25 1HE PHE 25 0.673 -12.017 -5.980 204 HE2 PHE 25 2HE PHE 25 1.820 -8.185 -7.457 205 HZ PHE 25 HZ PHE 25 1.613 -10.619 -7.776 206 H LEU 26 H LEU 26 1.012 -5.856 -1.588 207 HA LEU 26 HA LEU 26 -0.437 -6.234 0.936 208 1HB LEU 26 1HB LEU 26 0.958 -4.795 2.147 209 2HB LEU 26 2HB LEU 26 2.045 -5.862 1.285 210 HG LEU 26 HG LEU 26 1.367 -3.062 0.383 211 1HD1 LEU 26 1HD1 LEU 26 3.783 -4.065 1.882 212 2HD1 LEU 26 2HD1 LEU 26 2.528 -3.004 2.523 213 3HD1 LEU 26 3HD1 LEU 26 3.578 -2.443 1.222 214 1HD2 LEU 26 1HD2 LEU 26 3.538 -3.440 -0.907 215 2HD2 LEU 26 2HD2 LEU 26 2.093 -4.264 -1.490 216 3HD2 LEU 26 3HD2 LEU 26 3.302 -5.154 -0.563 217 H TYR 27 H TYR 27 -1.055 -3.899 1.792 218 HA TYR 27 HA TYR 27 -2.283 -2.532 -0.508 219 1HB TYR 27 1HB TYR 27 -3.525 -3.739 1.647 220 2HB TYR 27 2HB TYR 27 -3.527 -2.035 2.085 221 HD1 TYR 27 1HD TYR 27 -4.110 -4.059 -1.001 222 HD2 TYR 27 2HD TYR 27 -5.447 -0.900 1.511 223 HE1 TYR 27 1HE TYR 27 -6.030 -3.695 -2.493 224 HE2 TYR 27 2HE TYR 27 -7.373 -0.526 0.029 225 HH TYR 27 HH TYR 27 -7.983 -0.944 -2.339 226 H CYS 28 H CYS 28 -1.724 -0.503 -0.866 227 HA CYS 28 HA CYS 28 -0.681 1.103 1.361 228 1HB CYS 28 1HB CYS 28 0.561 0.857 -1.385 229 2HB CYS 28 2HB CYS 28 1.040 2.042 -0.175 230 H CYS 29 H CYS 29 -1.341 3.186 1.412 231 HA CYS 29 HA CYS 29 -2.973 4.124 -0.856 232 1HB CYS 29 1HB CYS 29 -3.848 3.622 1.716 233 2HB CYS 29 2HB CYS 29 -3.569 5.360 1.728 234 HA PRO 30 HA PRO 30 -0.197 7.576 -1.049 235 1HB PRO 30 1HB PRO 30 -1.771 9.388 -2.305 236 2HB PRO 30 2HB PRO 30 -1.070 7.994 -3.135 237 1HG PRO 30 1HG PRO 30 -3.833 8.355 -2.039 238 2HG PRO 30 2HG PRO 30 -3.327 7.652 -3.587 239 1HD PRO 30 1HD PRO 30 -4.016 6.135 -1.452 240 2HD PRO 30 2HD PRO 30 -2.794 5.622 -2.633 241 H ARG 31 H ARG 31 0.384 9.086 0.377 242 HA ARG 31 HA ARG 31 -1.721 10.496 1.880 243 1HB ARG 31 1HB ARG 31 0.912 9.488 2.972 244 2HB ARG 31 2HB ARG 31 -0.274 10.429 3.867 245 1HG ARG 31 1HG ARG 31 -0.756 7.691 2.710 246 2HG ARG 31 2HG ARG 31 -0.358 8.031 4.394 247 1HD ARG 31 1HD ARG 31 -2.398 9.425 4.550 248 2HD ARG 31 2HD ARG 31 -2.806 8.964 2.897 249 HE ARG 31 HE ARG 31 -2.408 6.649 4.453 250 1HH1 ARG 31 1HH1 ARG 31 -4.672 9.266 4.024 251 2HH1 ARG 31 2HH1 ARG 31 -6.033 8.345 4.571 252 1HH2 ARG 31 1HH2 ARG 31 -4.194 5.435 5.174 253 2HH2 ARG 31 2HH2 ARG 31 -5.761 6.169 5.227 254 H ARG 32 H ARG 32 -1.620 12.402 0.760 255 HA ARG 32 HA ARG 32 0.830 13.956 1.133 256 1HB ARG 32 1HB ARG 32 0.473 14.897 -1.214 257 2HB ARG 32 2HB ARG 32 1.143 13.277 -1.098 258 1HG ARG 32 1HG ARG 32 -1.052 12.324 -1.565 259 2HG ARG 32 2HG ARG 32 -1.738 13.947 -1.665 260 1HD ARG 32 1HD ARG 32 -1.271 13.017 -3.884 261 2HD ARG 32 2HD ARG 32 -0.312 14.461 -3.561 262 HE ARG 32 HE ARG 32 0.992 11.944 -2.972 263 1HH1 ARG 32 1HH1 ARG 32 0.444 14.471 -5.310 264 2HH1 ARG 32 2HH1 ARG 32 1.870 14.110 -6.225 265 1HH2 ARG 32 1HH2 ARG 32 2.870 11.461 -4.171 266 2HH2 ARG 32 2HH2 ARG 32 3.247 12.400 -5.578
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