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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8206 |
1lu8 ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -8.354 6.148 -4.633 2 2H GLY 1 2HT GLY 1 -7.533 7.632 -4.725 3 3H GLY 1 3HT GLY 1 -9.127 7.576 -4.142 4 1HA GLY 1 2HA GLY 1 -7.033 7.686 -2.540 5 2HA GLY 1 1HA GLY 1 -8.529 6.861 -2.098 6 H CYS 2 H CYS 2 -5.585 6.303 -1.488 7 HA CYS 2 HA CYS 2 -5.616 3.436 -2.343 8 1HB CYS 2 2HB CYS 2 -3.055 3.795 -2.252 9 2HB CYS 2 1HB CYS 2 -3.919 4.468 -3.627 10 H LEU 3 H LEU 3 -3.678 2.378 -0.863 11 HA LEU 3 HA LEU 3 -4.661 2.625 1.898 12 1HB LEU 3 2HB LEU 3 -2.431 0.914 0.770 13 2HB LEU 3 1HB LEU 3 -3.418 0.591 2.189 14 HG LEU 3 HG LEU 3 -4.291 0.558 -0.706 15 1HD1 LEU 3 1HD1 LEU 3 -3.610 -1.433 1.339 16 2HD1 LEU 3 2HD1 LEU 3 -3.733 -1.618 -0.411 17 3HD1 LEU 3 3HD1 LEU 3 -5.181 -1.720 0.591 18 1HD2 LEU 3 1HD2 LEU 3 -5.816 1.074 1.759 19 2HD2 LEU 3 2HD2 LEU 3 -6.458 -0.256 0.795 20 3HD2 LEU 3 3HD2 LEU 3 -6.275 1.345 0.077 21 H GLU 4 H GLU 4 -2.057 1.834 3.033 22 HA GLU 4 HA GLU 4 -0.783 4.538 3.109 23 1HB GLU 4 2HB GLU 4 -1.497 2.460 5.008 24 2HB GLU 4 1HB GLU 4 0.217 2.858 5.139 25 1HG GLU 4 2HG GLU 4 -1.321 4.274 6.578 26 2HG GLU 4 1HG GLU 4 -0.266 5.185 5.496 27 H PHE 5 H PHE 5 1.719 4.026 3.932 28 HA PHE 5 HA PHE 5 2.962 2.805 1.575 29 1HB PHE 5 2HB PHE 5 4.550 4.322 2.135 30 2HB PHE 5 1HB PHE 5 3.507 4.826 3.457 31 HD1 PHE 5 1HD PHE 5 6.663 3.425 2.581 32 HD2 PHE 5 2HD PHE 5 3.676 3.437 5.667 33 HE1 PHE 5 1HE PHE 5 8.340 2.593 4.206 34 HE2 PHE 5 2HE PHE 5 5.354 2.605 7.294 35 HZ PHE 5 HZ PHE 5 7.686 2.183 6.563 36 H TRP 6 H TRP 6 1.576 1.303 4.050 37 HA TRP 6 HA TRP 6 3.375 -1.017 3.909 38 1HB TRP 6 2HB TRP 6 4.349 0.564 5.613 39 2HB TRP 6 1HB TRP 6 2.851 0.434 6.532 40 HD1 TRP 6 HD TRP 6 2.706 -1.491 8.212 41 HE1 TRP 6 1HE TRP 6 4.101 -3.609 8.690 42 HE3 TRP 6 3HE TRP 6 5.908 -1.322 4.265 43 HZ2 TRP 6 2HZ TRP 6 6.298 -5.044 7.535 44 HZ3 TRP 6 3HZ TRP 6 7.649 -3.070 3.965 45 HH2 TRP 6 HH TRP 6 7.845 -4.929 5.596 46 H TRP 7 H TRP 7 0.643 -0.682 3.148 47 HA TRP 7 HA TRP 7 -0.898 -2.011 5.332 48 1HB TRP 7 2HB TRP 7 -1.431 -0.253 3.016 49 2HB TRP 7 1HB TRP 7 -2.631 -1.522 3.263 50 HD1 TRP 7 HD TRP 7 -0.790 -0.127 6.263 51 HE1 TRP 7 1HE TRP 7 -2.441 1.217 7.718 52 HE3 TRP 7 3HE TRP 7 -4.840 -0.055 3.157 53 HZ2 TRP 7 2HZ TRP 7 -5.129 2.194 7.578 54 HZ3 TRP 7 3HZ TRP 7 -6.929 1.088 3.839 55 HH2 TRP 7 HH TRP 7 -7.079 2.212 6.043 56 H LYS 8 H LYS 8 -2.164 -3.949 4.750 57 HA LYS 8 HA LYS 8 -0.780 -6.029 3.513 58 1HB LYS 8 2HB LYS 8 -3.770 -5.716 3.229 59 2HB LYS 8 1HB LYS 8 -2.855 -7.186 3.526 60 1HG LYS 8 2HG LYS 8 -2.148 -5.681 5.701 61 2HG LYS 8 1HG LYS 8 -3.815 -5.161 5.443 62 1HD LYS 8 2HD LYS 8 -3.976 -7.901 5.100 63 2HD LYS 8 1HD LYS 8 -2.794 -7.738 6.401 64 1HE LYS 8 2HE LYS 8 -4.677 -5.909 7.189 65 2HE LYS 8 1HE LYS 8 -5.693 -7.143 6.418 66 1HZ LYS 8 1HZ LYS 8 -3.512 -8.144 8.054 67 2HZ LYS 8 2HZ LYS 8 -5.112 -8.700 7.919 68 3HZ LYS 8 3HZ LYS 8 -4.753 -7.366 8.907 69 H CYS 9 H CYS 9 -0.992 -6.970 1.328 70 HA CYS 9 HA CYS 9 -2.261 -5.333 -0.763 71 1HB CYS 9 2HB CYS 9 -0.086 -4.869 -1.881 72 2HB CYS 9 1HB CYS 9 -0.188 -4.117 -0.288 73 H ASN 10 H ASN 10 -1.574 -6.252 -2.988 74 HA ASN 10 HA ASN 10 -0.684 -9.046 -3.038 75 1HB ASN 10 2HB ASN 10 -3.413 -8.366 -2.614 76 2HB ASN 10 1HB ASN 10 -3.289 -8.957 -4.272 77 1HD2 ASN 10 1HD2 ASN 10 -2.489 -11.179 -4.589 78 2HD2 ASN 10 2HD2 ASN 10 -2.483 -12.291 -3.308 79 HA PRO 11 HA PRO 11 0.569 -7.192 -6.895 80 1HB PRO 11 2HB PRO 11 1.599 -9.505 -7.989 81 2HB PRO 11 1HB PRO 11 2.469 -8.503 -6.808 82 1HG PRO 11 2HG PRO 11 0.841 -10.973 -6.349 83 2HG PRO 11 1HG PRO 11 2.437 -10.543 -5.701 84 1HD PRO 11 2HD PRO 11 0.251 -10.248 -4.204 85 2HD PRO 11 1HD PRO 11 1.549 -9.030 -4.158 86 H ASN 12 H ASN 12 -1.745 -9.642 -6.337 87 HA ASN 12 HA ASN 12 -2.664 -9.605 -9.182 88 1HB ASN 12 2HB ASN 12 -2.222 -11.748 -7.825 89 2HB ASN 12 1HB ASN 12 -3.655 -11.318 -6.890 90 1HD2 ASN 12 1HD2 ASN 12 -5.566 -12.185 -7.702 91 2HD2 ASN 12 2HD2 ASN 12 -5.830 -12.620 -9.321 92 H ASP 13 H ASP 13 -3.117 -7.933 -6.352 93 HA ASP 13 HA ASP 13 -5.491 -6.586 -7.202 94 1HB ASP 13 2HB ASP 13 -6.119 -9.070 -6.450 95 2HB ASP 13 1HB ASP 13 -6.082 -8.337 -4.847 96 H ASP 14 H ASP 14 -3.189 -5.493 -6.272 97 HA ASP 14 HA ASP 14 -3.400 -4.989 -3.358 98 1HB ASP 14 2HB ASP 14 -1.272 -3.858 -3.700 99 2HB ASP 14 1HB ASP 14 -1.236 -5.378 -4.589 100 H LYS 15 H LYS 15 -3.003 -2.516 -2.812 101 HA LYS 15 HA LYS 15 -4.423 -0.674 -4.642 102 1HB LYS 15 2HB LYS 15 -6.084 -2.002 -3.224 103 2HB LYS 15 1HB LYS 15 -5.416 -1.162 -1.824 104 1HG LYS 15 2HG LYS 15 -6.910 0.475 -2.271 105 2HG LYS 15 1HG LYS 15 -5.871 0.892 -3.635 106 1HD LYS 15 2HD LYS 15 -7.689 -1.367 -4.159 107 2HD LYS 15 1HD LYS 15 -8.510 0.165 -3.859 108 1HE LYS 15 2HE LYS 15 -6.501 0.987 -5.528 109 2HE LYS 15 1HE LYS 15 -6.835 -0.638 -6.160 110 1HZ LYS 15 1HZ LYS 15 -9.028 1.209 -5.445 111 2HZ LYS 15 2HZ LYS 15 -9.074 -0.151 -6.462 112 3HZ LYS 15 3HZ LYS 15 -8.305 1.273 -6.977 113 H CYS 16 H CYS 16 -1.799 -1.122 -2.840 114 HA CYS 16 HA CYS 16 -1.692 1.070 -1.002 115 1HB CYS 16 2HB CYS 16 -0.095 -0.885 -1.204 116 2HB CYS 16 1HB CYS 16 0.563 -0.124 -2.656 117 H CYS 17 H CYS 17 -1.005 3.228 -1.319 118 HA CYS 17 HA CYS 17 -1.685 4.665 -3.581 119 1HB CYS 17 2HB CYS 17 0.626 5.039 -1.647 120 2HB CYS 17 1HB CYS 17 0.031 6.300 -2.723 121 H ARG 18 H ARG 18 -0.582 5.256 -5.539 122 HA ARG 18 HA ARG 18 1.721 3.468 -6.200 123 1HB ARG 18 2HB ARG 18 -0.745 4.018 -7.409 124 2HB ARG 18 1HB ARG 18 0.455 4.813 -8.429 125 1HG ARG 18 2HG ARG 18 0.223 2.546 -9.218 126 2HG ARG 18 1HG ARG 18 1.779 2.667 -8.397 127 1HD ARG 18 2HD ARG 18 0.303 1.941 -6.282 128 2HD ARG 18 1HD ARG 18 -0.687 1.204 -7.557 129 HE ARG 18 HE ARG 18 2.048 0.419 -6.844 130 1HH1 ARG 18 1HH2 ARG 18 2.160 0.914 -9.768 131 2HH1 ARG 18 2HH2 ARG 18 1.644 -0.600 -10.430 132 1HH2 ARG 18 1HH1 ARG 18 0.257 -1.728 -7.460 133 2HH2 ARG 18 2HH1 ARG 18 0.567 -2.095 -9.123 134 HA PRO 19 HA PRO 19 3.046 7.982 -6.950 135 1HB PRO 19 2HB PRO 19 3.793 8.993 -4.521 136 2HB PRO 19 1HB PRO 19 2.162 9.214 -5.185 137 1HG PRO 19 2HG PRO 19 3.109 7.365 -3.076 138 2HG PRO 19 1HG PRO 19 1.550 8.182 -3.251 139 1HD PRO 19 2HD PRO 19 2.041 5.525 -3.862 140 2HD PRO 19 1HD PRO 19 0.671 6.486 -4.454 141 H LYS 20 H LYS 20 4.103 5.457 -4.796 142 HA LYS 20 HA LYS 20 6.641 5.103 -6.010 143 1HB LYS 20 2HB LYS 20 6.411 7.377 -4.282 144 2HB LYS 20 1HB LYS 20 7.502 6.213 -3.528 145 1HG LYS 20 2HG LYS 20 8.314 6.117 -6.149 146 2HG LYS 20 1HG LYS 20 7.872 7.816 -5.969 147 1HD LYS 20 2HD LYS 20 9.263 7.101 -3.610 148 2HD LYS 20 1HD LYS 20 10.196 6.446 -4.956 149 1HE LYS 20 2HE LYS 20 9.213 9.143 -5.525 150 2HE LYS 20 1HE LYS 20 10.267 9.092 -4.098 151 1HZ LYS 20 1HZ LYS 20 11.956 8.029 -5.295 152 2HZ LYS 20 2HZ LYS 20 11.408 9.244 -6.349 153 3HZ LYS 20 3HZ LYS 20 10.929 7.631 -6.585 154 H LEU 21 H LEU 21 4.608 3.397 -4.913 155 HA LEU 21 HA LEU 21 6.256 1.932 -2.893 156 1HB LEU 21 2HB LEU 21 3.327 2.666 -2.717 157 2HB LEU 21 1HB LEU 21 4.083 1.465 -1.675 158 HG LEU 21 HG LEU 21 5.269 4.222 -1.922 159 1HD1 LEU 21 1HD1 LEU 21 2.689 3.515 -0.780 160 2HD1 LEU 21 2HD1 LEU 21 3.417 5.107 -0.984 161 3HD1 LEU 21 3HD1 LEU 21 3.782 4.147 0.450 162 1HD2 LEU 21 1HD2 LEU 21 5.263 2.872 0.666 163 2HD2 LEU 21 2HD2 LEU 21 6.628 3.470 -0.276 164 3HD2 LEU 21 3HD2 LEU 21 5.974 1.863 -0.593 165 H LYS 22 H LYS 22 5.356 -0.342 -2.629 166 HA LYS 22 HA LYS 22 3.694 -1.418 -4.746 167 1HB LYS 22 2HB LYS 22 5.840 -1.051 -5.904 168 2HB LYS 22 1HB LYS 22 6.675 -1.981 -4.658 169 1HG LYS 22 2HG LYS 22 6.262 -3.397 -6.615 170 2HG LYS 22 1HG LYS 22 5.304 -3.966 -5.248 171 1HD LYS 22 2HD LYS 22 3.335 -3.453 -6.257 172 2HD LYS 22 1HD LYS 22 3.954 -1.930 -6.898 173 1HE LYS 22 2HE LYS 22 4.088 -2.926 -8.928 174 2HE LYS 22 1HE LYS 22 5.349 -3.986 -8.269 175 1HZ LYS 22 1HZ LYS 22 3.770 -5.539 -8.758 176 2HZ LYS 22 2HZ LYS 22 2.470 -4.467 -8.535 177 3HZ LYS 22 3HZ LYS 22 3.264 -5.136 -7.190 178 H CYS 23 H CYS 23 2.878 -3.450 -4.125 179 HA CYS 23 HA CYS 23 2.826 -4.318 -1.503 180 1HB CYS 23 2HB CYS 23 1.540 -5.189 -3.503 181 2HB CYS 23 1HB CYS 23 2.964 -6.133 -3.932 182 H SER 24 H SER 24 4.024 -5.895 -0.280 183 HA SER 24 HA SER 24 6.713 -6.628 -1.369 184 1HB SER 24 2HB SER 24 5.979 -4.835 0.828 185 2HB SER 24 1HB SER 24 7.093 -6.101 1.335 186 HG SER 24 HG SER 24 7.404 -4.338 -0.873 187 H LYS 25 H LYS 25 6.855 -8.810 -1.245 188 HA LYS 25 HA LYS 25 5.064 -10.482 0.250 189 1HB LYS 25 2HB LYS 25 6.599 -12.248 -0.537 190 2HB LYS 25 1HB LYS 25 6.281 -11.087 -1.828 191 1HG LYS 25 2HG LYS 25 8.389 -9.959 -1.411 192 2HG LYS 25 1HG LYS 25 8.692 -10.966 0.006 193 1HD LYS 25 2HD LYS 25 8.175 -12.746 -2.131 194 2HD LYS 25 1HD LYS 25 9.284 -11.527 -2.759 195 1HE LYS 25 2HE LYS 25 10.710 -13.176 -1.794 196 2HE LYS 25 1HE LYS 25 10.616 -11.913 -0.551 197 1HZ LYS 25 1HZ LYS 25 8.717 -13.105 0.418 198 2HZ LYS 25 2HZ LYS 25 10.134 -14.044 0.440 199 3HZ LYS 25 3HZ LYS 25 8.924 -14.351 -0.713 200 H LEU 26 H LEU 26 8.153 -9.001 1.007 201 HA LEU 26 HA LEU 26 9.253 -10.526 3.022 202 1HB LEU 26 2HB LEU 26 8.849 -7.604 2.538 203 2HB LEU 26 1HB LEU 26 9.506 -8.085 4.103 204 HG LEU 26 HG LEU 26 10.797 -9.568 1.982 205 1HD1 LEU 26 1HD1 LEU 26 10.718 -6.551 1.751 206 2HD1 LEU 26 2HD1 LEU 26 10.368 -7.741 0.497 207 3HD1 LEU 26 3HD1 LEU 26 12.023 -7.521 1.067 208 1HD2 LEU 26 1HD2 LEU 26 12.786 -8.252 3.041 209 2HD2 LEU 26 2HD2 LEU 26 11.906 -9.395 4.056 210 3HD2 LEU 26 3HD2 LEU 26 11.582 -7.667 4.188 211 H PHE 27 H PHE 27 6.311 -8.532 3.263 212 HA PHE 27 HA PHE 27 5.609 -10.015 5.753 213 1HB PHE 27 2HB PHE 27 5.958 -7.048 5.380 214 2HB PHE 27 1HB PHE 27 4.904 -7.696 6.638 215 HD1 PHE 27 1HD PHE 27 8.312 -7.039 5.646 216 HD2 PHE 27 2HD PHE 27 5.866 -9.363 8.303 217 HE1 PHE 27 1HE PHE 27 10.293 -7.505 7.061 218 HE2 PHE 27 2HE PHE 27 7.845 -9.827 9.720 219 HZ PHE 27 HZ PHE 27 10.061 -8.896 9.100 220 H LYS 28 H LYS 28 4.684 -9.292 2.737 221 HA LYS 28 HA LYS 28 2.559 -9.444 1.689 222 1HB LYS 28 2HB LYS 28 1.296 -9.530 4.421 223 2HB LYS 28 1HB LYS 28 0.833 -10.403 2.962 224 1HG LYS 28 2HG LYS 28 3.441 -11.275 3.497 225 2HG LYS 28 1HG LYS 28 2.669 -11.196 5.081 226 1HD LYS 28 2HD LYS 28 1.294 -12.491 2.724 227 2HD LYS 28 1HD LYS 28 2.413 -13.395 3.744 228 1HE LYS 28 2HE LYS 28 0.596 -13.792 5.066 229 2HE LYS 28 1HE LYS 28 0.785 -12.107 5.595 230 1HZ LYS 28 1HZ LYS 28 -1.425 -12.927 4.451 231 2HZ LYS 28 2HZ LYS 28 -0.543 -12.611 3.033 232 3HZ LYS 28 3HZ LYS 28 -0.810 -11.372 4.165 233 H LEU 29 H LEU 29 3.819 -6.920 2.885 234 HA LEU 29 HA LEU 29 1.318 -5.250 2.894 235 1HB LEU 29 2HB LEU 29 3.907 -4.513 4.270 236 2HB LEU 29 1HB LEU 29 2.283 -3.910 4.592 237 HG LEU 29 HG LEU 29 3.220 -6.749 5.109 238 1HD1 LEU 29 1HD1 LEU 29 2.861 -4.322 6.855 239 2HD1 LEU 29 2HD1 LEU 29 4.219 -5.445 6.794 240 3HD1 LEU 29 3HD1 LEU 29 2.694 -5.943 7.527 241 1HD2 LEU 29 1HD2 LEU 29 1.014 -7.224 5.137 242 2HD2 LEU 29 2HD2 LEU 29 0.606 -5.530 4.862 243 3HD2 LEU 29 3HD2 LEU 29 0.849 -6.124 6.505 244 H CYS 30 H CYS 30 1.849 -2.927 2.130 245 HA CYS 30 HA CYS 30 3.545 -3.164 -0.276 246 1HB CYS 30 2HB CYS 30 2.188 -1.497 -1.114 247 2HB CYS 30 1HB CYS 30 1.093 -2.261 0.016 248 H ASN 31 H ASN 31 5.440 -2.076 -0.574 249 HA ASN 31 HA ASN 31 6.158 0.237 1.098 250 1HB ASN 31 2HB ASN 31 6.694 -1.498 2.636 251 2HB ASN 31 1HB ASN 31 7.414 -2.490 1.381 252 1HD2 ASN 31 1HD2 ASN 31 7.894 0.560 3.196 253 2HD2 ASN 31 2HD2 ASN 31 9.578 0.599 2.982 254 H PHE 32 H PHE 32 8.452 0.907 0.568 255 HA PHE 32 HA PHE 32 9.870 -0.051 -1.702 256 1HB PHE 32 2HB PHE 32 7.780 0.611 -2.840 257 2HB PHE 32 1HB PHE 32 7.964 2.246 -2.214 258 HD1 PHE 32 1HD PHE 32 7.785 2.600 -4.839 259 HD2 PHE 32 2HD PHE 32 11.174 0.895 -2.826 260 HE1 PHE 32 1HE PHE 32 9.227 3.184 -6.772 261 HE2 PHE 32 2HE PHE 32 12.615 1.479 -4.758 262 HZ PHE 32 HZ PHE 32 11.643 2.622 -6.731 263 H SER 33 H SER 33 9.010 3.348 -1.187 264 HA SER 33 HA SER 33 11.827 3.832 -0.287 265 1HB SER 33 2HB SER 33 11.176 4.786 -2.466 266 2HB SER 33 1HB SER 33 9.814 5.605 -1.706 267 HG SER 33 HG SER 33 12.587 6.049 -1.379 268 H PHE 34 H PHE 34 8.570 5.267 0.042 269 HA PHE 34 HA PHE 34 8.862 5.412 2.968 270 1HB PHE 34 2HB PHE 34 10.102 7.357 2.487 271 2HB PHE 34 1HB PHE 34 9.105 7.757 1.089 272 HD1 PHE 34 1HD PHE 34 6.998 8.923 1.320 273 HD2 PHE 34 2HD PHE 34 9.293 7.774 4.786 274 HE1 PHE 34 1HE PHE 34 5.575 10.386 2.747 275 HE2 PHE 34 2HE PHE 34 7.867 9.235 6.214 276 HZ PHE 34 HZ PHE 34 6.009 10.540 5.194 277 1HN NH2 35 1HN NH2 35 6.992 5.043 0.122 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -7.347 7.823 -1.507 2 2H GLY 1 2HT GLY 1 -7.660 6.865 -0.140 3 3H GLY 1 3HT GLY 1 -8.877 7.864 -0.777 4 1HA GLY 1 2HA GLY 1 -9.520 5.851 -1.620 5 2HA GLY 1 1HA GLY 1 -8.508 6.474 -2.924 6 H CYS 2 H CYS 2 -5.970 6.076 -2.062 7 HA CYS 2 HA CYS 2 -5.697 3.170 -2.238 8 1HB CYS 2 2HB CYS 2 -3.280 3.788 -2.291 9 2HB CYS 2 1HB CYS 2 -4.233 4.706 -3.449 10 H LEU 3 H LEU 3 -3.555 2.550 -0.698 11 HA LEU 3 HA LEU 3 -4.680 2.677 2.047 12 1HB LEU 3 2HB LEU 3 -2.384 1.050 0.932 13 2HB LEU 3 1HB LEU 3 -3.320 0.720 2.379 14 HG LEU 3 HG LEU 3 -4.351 0.668 -0.465 15 1HD1 LEU 3 1HD1 LEU 3 -4.884 -1.763 0.466 16 2HD1 LEU 3 2HD1 LEU 3 -3.537 -1.397 1.544 17 3HD1 LEU 3 3HD1 LEU 3 -3.297 -1.382 -0.203 18 1HD2 LEU 3 1HD2 LEU 3 -6.223 -0.460 1.302 19 2HD2 LEU 3 2HD2 LEU 3 -6.371 1.079 0.454 20 3HD2 LEU 3 3HD2 LEU 3 -5.698 1.031 2.083 21 H GLU 4 H GLU 4 -1.820 1.930 2.930 22 HA GLU 4 HA GLU 4 -0.789 4.742 3.084 23 1HB GLU 4 2HB GLU 4 -1.678 3.031 5.065 24 2HB GLU 4 1HB GLU 4 0.071 2.807 5.121 25 1HG GLU 4 2HG GLU 4 -0.401 4.632 6.593 26 2HG GLU 4 1HG GLU 4 0.263 5.354 5.128 27 H PHE 5 H PHE 5 1.676 4.205 4.168 28 HA PHE 5 HA PHE 5 3.184 3.331 1.833 29 1HB PHE 5 2HB PHE 5 3.541 5.137 3.779 30 2HB PHE 5 1HB PHE 5 4.416 3.795 4.514 31 HD1 PHE 5 1HD PHE 5 4.249 6.069 1.607 32 HD2 PHE 5 2HD PHE 5 6.486 2.972 3.571 33 HE1 PHE 5 1HE PHE 5 6.189 6.535 0.133 34 HE2 PHE 5 2HE PHE 5 8.424 3.437 2.093 35 HZ PHE 5 HZ PHE 5 8.274 5.220 0.380 36 H TRP 6 H TRP 6 1.760 1.585 4.341 37 HA TRP 6 HA TRP 6 3.392 -0.792 3.715 38 1HB TRP 6 2HB TRP 6 4.643 0.617 5.414 39 2HB TRP 6 1HB TRP 6 3.303 0.358 6.528 40 HD1 TRP 6 HD TRP 6 3.557 -1.638 8.055 41 HE1 TRP 6 1HE TRP 6 4.918 -3.826 8.032 42 HE3 TRP 6 3HE TRP 6 5.759 -1.260 3.466 43 HZ2 TRP 6 2HZ TRP 6 6.699 -5.235 6.295 44 HZ3 TRP 6 3HZ TRP 6 7.276 -3.039 2.654 45 HH2 TRP 6 HH TRP 6 7.752 -5.022 4.058 46 H TRP 7 H TRP 7 0.798 -0.746 3.151 47 HA TRP 7 HA TRP 7 -0.626 -2.002 5.475 48 1HB TRP 7 2HB TRP 7 -1.397 -0.265 3.159 49 2HB TRP 7 1HB TRP 7 -2.597 -1.401 3.775 50 HD1 TRP 7 HD TRP 7 -0.195 -0.151 6.344 51 HE1 TRP 7 1HE TRP 7 -1.364 1.542 7.896 52 HE3 TRP 7 3HE TRP 7 -4.529 0.577 3.743 53 HZ2 TRP 7 2HZ TRP 7 -3.818 3.007 8.020 54 HZ3 TRP 7 3HZ TRP 7 -6.265 2.123 4.602 55 HH2 TRP 7 HH TRP 7 -5.914 3.338 6.735 56 H LYS 8 H LYS 8 -2.254 -3.757 4.653 57 HA LYS 8 HA LYS 8 -0.991 -5.937 3.518 58 1HB LYS 8 2HB LYS 8 -3.446 -6.374 2.573 59 2HB LYS 8 1HB LYS 8 -3.105 -6.436 4.293 60 1HG LYS 8 2HG LYS 8 -3.718 -3.727 3.333 61 2HG LYS 8 1HG LYS 8 -5.044 -4.867 3.100 62 1HD LYS 8 2HD LYS 8 -3.699 -5.059 5.723 63 2HD LYS 8 1HD LYS 8 -4.564 -3.548 5.442 64 1HE LYS 8 2HE LYS 8 -6.248 -4.944 6.336 65 2HE LYS 8 1HE LYS 8 -6.492 -5.132 4.587 66 1HZ LYS 8 1HZ LYS 8 -5.126 -7.078 4.587 67 2HZ LYS 8 2HZ LYS 8 -6.312 -7.278 5.788 68 3HZ LYS 8 3HZ LYS 8 -4.720 -6.869 6.221 69 H CYS 9 H CYS 9 -1.051 -6.865 1.350 70 HA CYS 9 HA CYS 9 -1.661 -5.037 -0.899 71 1HB CYS 9 2HB CYS 9 0.630 -4.978 -1.678 72 2HB CYS 9 1HB CYS 9 0.629 -4.483 0.015 73 H ASN 10 H ASN 10 -1.279 -6.164 -3.020 74 HA ASN 10 HA ASN 10 -0.898 -9.077 -2.969 75 1HB ASN 10 2HB ASN 10 -3.396 -8.081 -2.393 76 2HB ASN 10 1HB ASN 10 -3.500 -8.323 -4.137 77 1HD2 ASN 10 1HD2 ASN 10 -1.994 -10.608 -4.563 78 2HD2 ASN 10 2HD2 ASN 10 -2.643 -11.917 -3.698 79 HA PRO 11 HA PRO 11 0.606 -7.661 -6.932 80 1HB PRO 11 2HB PRO 11 1.330 -10.157 -7.837 81 2HB PRO 11 1HB PRO 11 2.317 -9.201 -6.712 82 1HG PRO 11 2HG PRO 11 0.387 -11.408 -6.123 83 2HG PRO 11 1HG PRO 11 2.009 -11.129 -5.463 84 1HD PRO 11 2HD PRO 11 -0.177 -10.472 -4.065 85 2HD PRO 11 1HD PRO 11 1.282 -9.455 -4.022 86 H ASN 12 H ASN 12 -2.010 -9.740 -6.220 87 HA ASN 12 HA ASN 12 -2.858 -9.950 -9.071 88 1HB ASN 12 2HB ASN 12 -2.855 -11.804 -7.191 89 2HB ASN 12 1HB ASN 12 -4.355 -11.021 -6.688 90 1HD2 ASN 12 1HD2 ASN 12 -4.967 -10.235 -9.554 91 2HD2 ASN 12 2HD2 ASN 12 -5.501 -11.665 -10.295 92 H ASP 13 H ASP 13 -3.317 -8.071 -6.245 93 HA ASP 13 HA ASP 13 -5.311 -6.380 -7.563 94 1HB ASP 13 2HB ASP 13 -6.056 -8.558 -5.828 95 2HB ASP 13 1HB ASP 13 -6.487 -7.033 -5.053 96 H ASP 14 H ASP 14 -2.803 -5.646 -6.800 97 HA ASP 14 HA ASP 14 -2.409 -4.767 -4.124 98 1HB ASP 14 2HB ASP 14 -0.839 -3.129 -5.332 99 2HB ASP 14 1HB ASP 14 -0.583 -4.843 -5.657 100 H LYS 15 H LYS 15 -2.703 -2.665 -3.187 101 HA LYS 15 HA LYS 15 -4.567 -0.828 -4.636 102 1HB LYS 15 2HB LYS 15 -5.791 -2.405 -3.155 103 2HB LYS 15 1HB LYS 15 -4.835 -1.836 -1.787 104 1HG LYS 15 2HG LYS 15 -5.681 0.494 -2.277 105 2HG LYS 15 1HG LYS 15 -6.780 -0.222 -3.457 106 1HD LYS 15 2HD LYS 15 -6.686 -1.218 -0.611 107 2HD LYS 15 1HD LYS 15 -7.683 0.165 -1.061 108 1HE LYS 15 2HE LYS 15 -9.214 -1.145 -2.130 109 2HE LYS 15 1HE LYS 15 -7.958 -2.164 -2.863 110 1HZ LYS 15 1HZ LYS 15 -7.555 -3.077 -0.594 111 2HZ LYS 15 2HZ LYS 15 -9.075 -3.478 -1.241 112 3HZ LYS 15 3HZ LYS 15 -8.942 -2.261 -0.063 113 H CYS 16 H CYS 16 -1.943 -1.268 -2.355 114 HA CYS 16 HA CYS 16 -1.778 1.051 -0.884 115 1HB CYS 16 2HB CYS 16 -0.107 -0.844 -1.090 116 2HB CYS 16 1HB CYS 16 0.489 -0.077 -2.564 117 H CYS 17 H CYS 17 -1.223 3.229 -1.282 118 HA CYS 17 HA CYS 17 -2.029 4.563 -3.570 119 1HB CYS 17 2HB CYS 17 0.397 5.240 -1.872 120 2HB CYS 17 1HB CYS 17 -0.598 6.377 -2.777 121 H ARG 18 H ARG 18 -0.682 5.550 -5.357 122 HA ARG 18 HA ARG 18 1.485 3.649 -6.175 123 1HB ARG 18 2HB ARG 18 0.763 4.546 -8.504 124 2HB ARG 18 1HB ARG 18 -0.327 3.442 -7.670 125 1HG ARG 18 2HG ARG 18 -0.690 6.324 -7.057 126 2HG ARG 18 1HG ARG 18 -1.132 5.820 -8.688 127 1HD ARG 18 2HD ARG 18 -2.470 3.924 -7.601 128 2HD ARG 18 1HD ARG 18 -2.237 4.782 -6.064 129 HE ARG 18 HE ARG 18 -3.118 6.646 -8.054 130 1HH1 ARG 18 1HH2 ARG 18 -4.124 5.723 -5.172 131 2HH1 ARG 18 2HH2 ARG 18 -5.796 5.471 -5.548 132 1HH2 ARG 18 1HH1 ARG 18 -5.315 5.564 -8.980 133 2HH2 ARG 18 2HH1 ARG 18 -6.471 5.382 -7.700 134 HA PRO 19 HA PRO 19 3.078 8.119 -6.248 135 1HB PRO 19 2HB PRO 19 4.120 8.477 -3.751 136 2HB PRO 19 1HB PRO 19 2.456 8.935 -4.164 137 1HG PRO 19 2HG PRO 19 3.452 6.576 -2.672 138 2HG PRO 19 1HG PRO 19 1.962 7.505 -2.458 139 1HD PRO 19 2HD PRO 19 2.132 5.054 -3.726 140 2HD PRO 19 1HD PRO 19 0.820 6.231 -3.937 141 H LYS 20 H LYS 20 4.222 5.245 -4.547 142 HA LYS 20 HA LYS 20 6.536 4.841 -6.162 143 1HB LYS 20 2HB LYS 20 8.252 5.658 -4.503 144 2HB LYS 20 1HB LYS 20 7.296 6.956 -5.212 145 1HG LYS 20 2HG LYS 20 5.797 6.159 -3.003 146 2HG LYS 20 1HG LYS 20 7.464 6.093 -2.431 147 1HD LYS 20 2HD LYS 20 6.627 8.476 -4.031 148 2HD LYS 20 1HD LYS 20 6.076 8.367 -2.359 149 1HE LYS 20 2HE LYS 20 8.106 9.332 -1.893 150 2HE LYS 20 1HE LYS 20 8.726 7.682 -2.097 151 1HZ LYS 20 1HZ LYS 20 8.253 9.266 -4.509 152 2HZ LYS 20 2HZ LYS 20 9.451 8.102 -4.196 153 3HZ LYS 20 3HZ LYS 20 9.607 9.673 -3.572 154 H LEU 21 H LEU 21 4.453 3.307 -4.701 155 HA LEU 21 HA LEU 21 6.278 1.601 -3.036 156 1HB LEU 21 2HB LEU 21 3.384 2.370 -2.584 157 2HB LEU 21 1HB LEU 21 4.257 1.197 -1.609 158 HG LEU 21 HG LEU 21 5.839 3.583 -1.812 159 1HD1 LEU 21 1HD1 LEU 21 4.408 5.299 -1.419 160 2HD1 LEU 21 2HD1 LEU 21 3.445 4.344 -0.292 161 3HD1 LEU 21 3HD1 LEU 21 3.152 4.222 -2.027 162 1HD2 LEU 21 1HD2 LEU 21 6.286 2.744 0.234 163 2HD2 LEU 21 2HD2 LEU 21 4.902 1.658 0.115 164 3HD2 LEU 21 3HD2 LEU 21 4.696 3.281 0.769 165 H LYS 22 H LYS 22 5.349 -0.634 -2.776 166 HA LYS 22 HA LYS 22 3.450 -1.611 -4.733 167 1HB LYS 22 2HB LYS 22 6.105 -1.248 -5.510 168 2HB LYS 22 1HB LYS 22 6.002 -2.971 -5.140 169 1HG LYS 22 2HG LYS 22 3.767 -2.832 -6.532 170 2HG LYS 22 1HG LYS 22 4.518 -1.389 -7.213 171 1HD LYS 22 2HD LYS 22 5.712 -4.175 -7.173 172 2HD LYS 22 1HD LYS 22 5.086 -3.329 -8.589 173 1HE LYS 22 2HE LYS 22 6.961 -1.582 -7.334 174 2HE LYS 22 1HE LYS 22 7.726 -3.178 -7.479 175 1HZ LYS 22 1HZ LYS 22 6.142 -2.038 -9.696 176 2HZ LYS 22 2HZ LYS 22 7.321 -3.260 -9.752 177 3HZ LYS 22 3HZ LYS 22 7.780 -1.641 -9.514 178 H CYS 23 H CYS 23 2.633 -3.616 -4.045 179 HA CYS 23 HA CYS 23 2.714 -4.566 -1.492 180 1HB CYS 23 2HB CYS 23 1.344 -5.514 -3.309 181 2HB CYS 23 1HB CYS 23 2.785 -6.213 -4.045 182 H SER 24 H SER 24 3.994 -5.996 -0.249 183 HA SER 24 HA SER 24 6.644 -6.791 -1.377 184 1HB SER 24 2HB SER 24 5.949 -4.913 0.793 185 2HB SER 24 1HB SER 24 7.197 -6.081 1.213 186 HG SER 24 HG SER 24 7.324 -4.793 -1.270 187 H LYS 25 H LYS 25 6.993 -8.922 -0.974 188 HA LYS 25 HA LYS 25 5.208 -10.554 0.582 189 1HB LYS 25 2HB LYS 25 6.886 -11.008 -1.414 190 2HB LYS 25 1HB LYS 25 8.028 -11.329 -0.110 191 1HG LYS 25 2HG LYS 25 5.306 -12.603 -0.044 192 2HG LYS 25 1HG LYS 25 6.573 -13.299 -1.056 193 1HD LYS 25 2HD LYS 25 7.674 -12.662 1.522 194 2HD LYS 25 1HD LYS 25 6.218 -13.633 1.740 195 1HE LYS 25 2HE LYS 25 7.112 -15.471 0.635 196 2HE LYS 25 1HE LYS 25 8.191 -14.475 -0.363 197 1HZ LYS 25 1HZ LYS 25 8.487 -15.273 2.455 198 2HZ LYS 25 2HZ LYS 25 9.179 -13.815 1.924 199 3HZ LYS 25 3HZ LYS 25 9.643 -15.286 1.214 200 H LEU 26 H LEU 26 7.989 -8.659 1.420 201 HA LEU 26 HA LEU 26 9.219 -9.925 3.537 202 1HB LEU 26 2HB LEU 26 8.569 -7.192 2.723 203 2HB LEU 26 1HB LEU 26 8.749 -7.340 4.472 204 HG LEU 26 HG LEU 26 10.823 -8.868 3.221 205 1HD1 LEU 26 1HD1 LEU 26 11.964 -6.707 2.258 206 2HD1 LEU 26 2HD1 LEU 26 10.304 -6.137 2.076 207 3HD1 LEU 26 3HD1 LEU 26 10.827 -7.606 1.252 208 1HD2 LEU 26 1HD2 LEU 26 11.822 -6.453 4.348 209 2HD2 LEU 26 2HD2 LEU 26 11.761 -8.047 5.099 210 3HD2 LEU 26 3HD2 LEU 26 10.416 -6.925 5.302 211 H PHE 27 H PHE 27 6.067 -8.247 3.672 212 HA PHE 27 HA PHE 27 5.339 -9.925 6.018 213 1HB PHE 27 2HB PHE 27 5.597 -6.925 5.904 214 2HB PHE 27 1HB PHE 27 4.499 -7.699 7.051 215 HD1 PHE 27 1HD PHE 27 7.973 -7.022 6.191 216 HD2 PHE 27 2HD PHE 27 5.383 -9.306 8.741 217 HE1 PHE 27 1HE PHE 27 9.888 -7.531 7.676 218 HE2 PHE 27 2HE PHE 27 7.297 -9.818 10.229 219 HZ PHE 27 HZ PHE 27 9.553 -8.929 9.700 220 H LYS 28 H LYS 28 4.532 -9.178 3.043 221 HA LYS 28 HA LYS 28 2.465 -9.359 1.888 222 1HB LYS 28 2HB LYS 28 1.070 -9.339 4.562 223 2HB LYS 28 1HB LYS 28 0.631 -10.213 3.097 224 1HG LYS 28 2HG LYS 28 3.218 -11.123 3.823 225 2HG LYS 28 1HG LYS 28 2.257 -11.104 5.302 226 1HD LYS 28 2HD LYS 28 1.368 -13.060 4.611 227 2HD LYS 28 1HD LYS 28 0.521 -12.134 3.371 228 1HE LYS 28 2HE LYS 28 3.296 -13.341 3.060 229 2HE LYS 28 1HE LYS 28 1.808 -13.972 2.330 230 1HZ LYS 28 1HZ LYS 28 3.219 -11.449 1.773 231 2HZ LYS 28 2HZ LYS 28 1.540 -11.537 1.533 232 3HZ LYS 28 3HZ LYS 28 2.578 -12.577 0.681 233 H LEU 29 H LEU 29 3.722 -6.821 2.891 234 HA LEU 29 HA LEU 29 1.255 -5.103 2.825 235 1HB LEU 29 2HB LEU 29 3.843 -4.302 4.158 236 2HB LEU 29 1HB LEU 29 2.214 -3.707 4.467 237 HG LEU 29 HG LEU 29 3.164 -6.520 5.085 238 1HD1 LEU 29 1HD1 LEU 29 2.717 -5.598 7.489 239 2HD1 LEU 29 2HD1 LEU 29 2.919 -4.015 6.737 240 3HD1 LEU 29 3HD1 LEU 29 4.236 -5.189 6.691 241 1HD2 LEU 29 1HD2 LEU 29 1.022 -6.956 5.862 242 2HD2 LEU 29 2HD2 LEU 29 0.643 -5.848 4.544 243 3HD2 LEU 29 3HD2 LEU 29 0.690 -5.259 6.204 244 H CYS 30 H CYS 30 1.858 -2.821 1.986 245 HA CYS 30 HA CYS 30 3.449 -3.187 -0.464 246 1HB CYS 30 2HB CYS 30 2.195 -1.398 -1.244 247 2HB CYS 30 1HB CYS 30 1.094 -2.100 -0.074 248 H ASN 31 H ASN 31 5.490 -2.461 -0.704 249 HA ASN 31 HA ASN 31 6.610 -0.628 1.391 250 1HB ASN 31 2HB ASN 31 7.374 -3.114 0.803 251 2HB ASN 31 1HB ASN 31 8.281 -2.283 -0.461 252 1HD2 ASN 31 1HD2 ASN 31 9.121 -3.600 2.230 253 2HD2 ASN 31 2HD2 ASN 31 10.075 -2.408 2.971 254 H PHE 32 H PHE 32 9.016 -0.420 -0.479 255 HA PHE 32 HA PHE 32 8.152 2.008 -1.867 256 1HB PHE 32 2HB PHE 32 10.597 0.628 -1.061 257 2HB PHE 32 1HB PHE 32 10.735 1.310 -2.680 258 HD1 PHE 32 1HD PHE 32 9.198 3.719 -2.663 259 HD2 PHE 32 2HD PHE 32 11.598 2.062 0.491 260 HE1 PHE 32 1HE PHE 32 9.488 5.983 -1.696 261 HE2 PHE 32 2HE PHE 32 11.888 4.328 1.460 262 HZ PHE 32 HZ PHE 32 10.834 6.288 0.366 263 H SER 33 H SER 33 9.622 1.909 -4.209 264 HA SER 33 HA SER 33 8.146 -0.153 -5.800 265 1HB SER 33 2HB SER 33 9.129 1.826 -7.502 266 2HB SER 33 1HB SER 33 7.487 1.731 -6.872 267 HG SER 33 HG SER 33 9.709 3.166 -5.867 268 H PHE 34 H PHE 34 11.011 1.803 -6.557 269 HA PHE 34 HA PHE 34 12.371 -0.584 -7.643 270 1HB PHE 34 2HB PHE 34 13.034 2.374 -7.495 271 2HB PHE 34 1HB PHE 34 14.028 1.185 -8.335 272 HD1 PHE 34 1HD PHE 34 12.123 3.701 -9.226 273 HD2 PHE 34 2HD PHE 34 11.957 -0.601 -9.487 274 HE1 PHE 34 1HE PHE 34 10.642 3.879 -11.219 275 HE2 PHE 34 2HE PHE 34 10.478 -0.423 -11.482 276 HZ PHE 34 HZ PHE 34 9.821 1.818 -12.349 277 1HN NH2 35 1HN NH2 35 14.457 1.929 -6.282 278 2HN NH2 35 2HN NH2 35 15.055 0.996 -4.884 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -9.816 7.359 -1.989 2 2H GLY 1 2HT GLY 1 -9.716 5.726 -1.532 3 3H GLY 1 3HT GLY 1 -9.035 6.242 -3.000 4 1HA GLY 1 2HA GLY 1 -7.347 7.473 -1.905 5 2HA GLY 1 1HA GLY 1 -8.130 7.208 -0.346 6 H CYS 2 H CYS 2 -5.677 6.113 -2.296 7 HA CYS 2 HA CYS 2 -5.689 3.304 -2.135 8 1HB CYS 2 2HB CYS 2 -3.153 3.668 -2.070 9 2HB CYS 2 1HB CYS 2 -4.014 4.472 -3.379 10 H LEU 3 H LEU 3 -3.665 2.354 -0.611 11 HA LEU 3 HA LEU 3 -4.755 2.523 2.122 12 1HB LEU 3 2HB LEU 3 -2.592 0.854 0.800 13 2HB LEU 3 1HB LEU 3 -3.198 0.593 2.431 14 HG LEU 3 HG LEU 3 -4.963 0.574 -0.027 15 1HD1 LEU 3 1HD1 LEU 3 -4.989 -1.960 0.540 16 2HD1 LEU 3 2HD1 LEU 3 -3.484 -1.634 1.400 17 3HD1 LEU 3 3HD1 LEU 3 -3.597 -1.322 -0.333 18 1HD2 LEU 3 1HD2 LEU 3 -5.578 -0.725 2.608 19 2HD2 LEU 3 2HD2 LEU 3 -6.687 -0.081 1.397 20 3HD2 LEU 3 3HD2 LEU 3 -5.791 1.017 2.446 21 H GLU 4 H GLU 4 -1.824 1.706 2.930 22 HA GLU 4 HA GLU 4 -0.821 4.519 3.196 23 1HB GLU 4 2HB GLU 4 -1.547 2.506 5.097 24 2HB GLU 4 1HB GLU 4 0.187 2.793 5.232 25 1HG GLU 4 2HG GLU 4 -1.166 5.312 4.901 26 2HG GLU 4 1HG GLU 4 -1.914 4.422 6.228 27 H PHE 5 H PHE 5 1.651 3.937 4.264 28 HA PHE 5 HA PHE 5 3.122 3.066 1.888 29 1HB PHE 5 2HB PHE 5 4.274 4.786 2.835 30 2HB PHE 5 1HB PHE 5 3.530 4.529 4.409 31 HD1 PHE 5 1HD PHE 5 6.463 3.996 2.358 32 HD2 PHE 5 2HD PHE 5 4.428 2.687 5.906 33 HE1 PHE 5 1HE PHE 5 8.560 2.954 3.177 34 HE2 PHE 5 2HE PHE 5 6.523 1.644 6.725 35 HZ PHE 5 HZ PHE 5 8.590 1.779 5.361 36 H TRP 6 H TRP 6 1.708 1.322 4.355 37 HA TRP 6 HA TRP 6 3.405 -1.035 3.812 38 1HB TRP 6 2HB TRP 6 4.587 0.370 5.548 39 2HB TRP 6 1HB TRP 6 3.190 0.158 6.601 40 HD1 TRP 6 HD TRP 6 3.617 -1.638 8.315 41 HE1 TRP 6 1HE TRP 6 4.831 -3.910 8.367 42 HE3 TRP 6 3HE TRP 6 5.387 -1.807 3.525 43 HZ2 TRP 6 2HZ TRP 6 6.351 -5.575 6.618 44 HZ3 TRP 6 3HZ TRP 6 6.715 -3.750 2.747 45 HH2 TRP 6 HH TRP 6 7.198 -5.633 4.285 46 H TRP 7 H TRP 7 0.694 -0.716 3.263 47 HA TRP 7 HA TRP 7 -0.713 -2.162 5.479 48 1HB TRP 7 2HB TRP 7 -1.468 -0.292 3.263 49 2HB TRP 7 1HB TRP 7 -2.676 -1.456 3.811 50 HD1 TRP 7 HD TRP 7 -0.361 -0.490 6.535 51 HE1 TRP 7 1HE TRP 7 -1.505 1.171 8.141 52 HE3 TRP 7 3HE TRP 7 -4.484 0.714 3.772 53 HZ2 TRP 7 2HZ TRP 7 -3.857 2.795 8.241 54 HZ3 TRP 7 3HZ TRP 7 -6.159 2.318 4.646 55 HH2 TRP 7 HH TRP 7 -5.851 3.360 6.875 56 H LYS 8 H LYS 8 -2.248 -3.922 4.663 57 HA LYS 8 HA LYS 8 -1.048 -6.018 3.364 58 1HB LYS 8 2HB LYS 8 -3.553 -6.325 2.400 59 2HB LYS 8 1HB LYS 8 -3.134 -6.626 4.078 60 1HG LYS 8 2HG LYS 8 -4.188 -4.711 4.821 61 2HG LYS 8 1HG LYS 8 -3.855 -3.828 3.331 62 1HD LYS 8 2HD LYS 8 -5.941 -4.287 2.626 63 2HD LYS 8 1HD LYS 8 -5.537 -6.004 2.631 64 1HE LYS 8 2HE LYS 8 -6.045 -5.004 5.333 65 2HE LYS 8 1HE LYS 8 -7.446 -4.800 4.262 66 1HZ LYS 8 1HZ LYS 8 -6.957 -7.134 3.479 67 2HZ LYS 8 2HZ LYS 8 -7.582 -6.999 5.053 68 3HZ LYS 8 3HZ LYS 8 -5.924 -7.283 4.816 69 H CYS 9 H CYS 9 -0.938 -6.784 1.192 70 HA CYS 9 HA CYS 9 -1.638 -4.851 -0.967 71 1HB CYS 9 2HB CYS 9 0.684 -4.858 -1.766 72 2HB CYS 9 1HB CYS 9 0.620 -4.295 -0.096 73 H ASN 10 H ASN 10 -1.408 -5.828 -3.127 74 HA ASN 10 HA ASN 10 -1.104 -8.782 -3.204 75 1HB ASN 10 2HB ASN 10 -3.536 -7.823 -2.757 76 2HB ASN 10 1HB ASN 10 -3.502 -7.521 -4.496 77 1HD2 ASN 10 1HD2 ASN 10 -4.433 -9.237 -5.611 78 2HD2 ASN 10 2HD2 ASN 10 -4.292 -10.873 -5.184 79 HA PRO 11 HA PRO 11 0.993 -7.336 -6.865 80 1HB PRO 11 2HB PRO 11 1.607 -9.839 -7.828 81 2HB PRO 11 1HB PRO 11 2.517 -9.042 -6.527 82 1HG PRO 11 2HG PRO 11 0.345 -11.088 -6.333 83 2HG PRO 11 1HG PRO 11 1.880 -10.991 -5.451 84 1HD PRO 11 2HD PRO 11 -0.424 -10.213 -4.323 85 2HD PRO 11 1HD PRO 11 1.102 -9.353 -4.003 86 H ASN 12 H ASN 12 -1.896 -9.140 -6.624 87 HA ASN 12 HA ASN 12 -2.342 -9.306 -9.552 88 1HB ASN 12 2HB ASN 12 -3.004 -10.952 -7.578 89 2HB ASN 12 1HB ASN 12 -4.395 -9.877 -7.438 90 1HD2 ASN 12 1HD2 ASN 12 -4.398 -9.268 -10.379 91 2HD2 ASN 12 2HD2 ASN 12 -5.011 -10.662 -11.130 92 H ASP 13 H ASP 13 -3.658 -7.652 -6.689 93 HA ASP 13 HA ASP 13 -4.589 -5.428 -8.419 94 1HB ASP 13 2HB ASP 13 -6.277 -7.479 -7.734 95 2HB ASP 13 1HB ASP 13 -6.546 -6.354 -6.402 96 H ASP 14 H ASP 14 -2.436 -5.335 -6.715 97 HA ASP 14 HA ASP 14 -2.732 -4.729 -4.013 98 1HB ASP 14 2HB ASP 14 -0.584 -4.795 -5.085 99 2HB ASP 14 1HB ASP 14 -1.032 -3.505 -6.202 100 H LYS 15 H LYS 15 -3.188 -2.766 -2.853 101 HA LYS 15 HA LYS 15 -4.700 -0.725 -4.449 102 1HB LYS 15 2HB LYS 15 -5.917 -2.339 -2.845 103 2HB LYS 15 1HB LYS 15 -5.142 -1.434 -1.543 104 1HG LYS 15 2HG LYS 15 -6.904 -0.019 -1.691 105 2HG LYS 15 1HG LYS 15 -6.147 0.568 -3.173 106 1HD LYS 15 2HD LYS 15 -7.497 -1.789 -3.911 107 2HD LYS 15 1HD LYS 15 -8.612 -0.921 -2.855 108 1HE LYS 15 2HE LYS 15 -8.887 0.800 -4.347 109 2HE LYS 15 1HE LYS 15 -7.193 0.742 -4.875 110 1HZ LYS 15 1HZ LYS 15 -8.203 -0.219 -6.671 111 2HZ LYS 15 2HZ LYS 15 -9.471 -0.885 -5.756 112 3HZ LYS 15 3HZ LYS 15 -7.932 -1.605 -5.731 113 H CYS 16 H CYS 16 -1.942 -1.242 -2.537 114 HA CYS 16 HA CYS 16 -1.751 1.045 -0.896 115 1HB CYS 16 2HB CYS 16 -0.122 -0.892 -1.121 116 2HB CYS 16 1HB CYS 16 0.467 -0.138 -2.604 117 H CYS 17 H CYS 17 -1.033 3.190 -1.299 118 HA CYS 17 HA CYS 17 -1.825 4.549 -3.598 119 1HB CYS 17 2HB CYS 17 0.626 5.097 -1.885 120 2HB CYS 17 1HB CYS 17 -0.276 6.288 -2.819 121 H ARG 18 H ARG 18 -0.643 5.204 -5.549 122 HA ARG 18 HA ARG 18 1.601 3.324 -6.177 123 1HB ARG 18 2HB ARG 18 0.799 3.924 -8.584 124 2HB ARG 18 1HB ARG 18 -0.191 2.846 -7.603 125 1HG ARG 18 2HG ARG 18 -0.732 5.762 -7.338 126 2HG ARG 18 1HG ARG 18 -1.212 5.000 -8.856 127 1HD ARG 18 2HD ARG 18 -2.009 4.032 -6.082 128 2HD ARG 18 1HD ARG 18 -3.066 4.886 -7.224 129 HE ARG 18 HE ARG 18 -2.206 2.852 -8.785 130 1HH1 ARG 18 1HH1 ARG 18 -3.715 3.096 -5.715 131 2HH1 ARG 18 2HH1 ARG 18 -4.158 1.424 -5.641 132 1HH2 ARG 18 1HH2 ARG 18 -2.584 0.602 -8.619 133 2HH2 ARG 18 2HH2 ARG 18 -3.519 0.011 -7.286 134 HA PRO 19 HA PRO 19 3.016 7.806 -6.942 135 1HB PRO 19 2HB PRO 19 3.990 8.643 -4.532 136 2HB PRO 19 1HB PRO 19 2.323 8.962 -5.052 137 1HG PRO 19 2HG PRO 19 3.357 6.945 -3.141 138 2HG PRO 19 1HG PRO 19 1.835 7.847 -3.122 139 1HD PRO 19 2HD PRO 19 2.100 5.215 -3.921 140 2HD PRO 19 1HD PRO 19 0.762 6.293 -4.374 141 H LYS 20 H LYS 20 4.175 5.219 -4.887 142 HA LYS 20 HA LYS 20 6.571 4.751 -6.344 143 1HB LYS 20 2HB LYS 20 6.587 6.980 -4.475 144 2HB LYS 20 1HB LYS 20 7.790 5.772 -4.020 145 1HG LYS 20 2HG LYS 20 7.583 6.544 -6.904 146 2HG LYS 20 1HG LYS 20 8.367 7.668 -5.794 147 1HD LYS 20 2HD LYS 20 9.886 5.870 -5.042 148 2HD LYS 20 1HD LYS 20 9.108 4.749 -6.161 149 1HE LYS 20 2HE LYS 20 9.961 5.862 -8.063 150 2HE LYS 20 1HE LYS 20 10.308 7.343 -7.149 151 1HZ LYS 20 1HZ LYS 20 11.547 4.773 -6.394 152 2HZ LYS 20 2HZ LYS 20 12.065 6.351 -6.036 153 3HZ LYS 20 3HZ LYS 20 12.239 5.733 -7.609 154 H LEU 21 H LEU 21 4.402 3.371 -4.829 155 HA LEU 21 HA LEU 21 6.124 1.788 -2.942 156 1HB LEU 21 2HB LEU 21 3.137 2.298 -2.791 157 2HB LEU 21 1HB LEU 21 4.128 1.513 -1.564 158 HG LEU 21 HG LEU 21 4.994 4.228 -2.406 159 1HD1 LEU 21 1HD1 LEU 21 2.654 3.893 -0.520 160 2HD1 LEU 21 2HD1 LEU 21 2.440 4.273 -2.229 161 3HD1 LEU 21 3HD1 LEU 21 3.311 5.391 -1.178 162 1HD2 LEU 21 1HD2 LEU 21 4.797 4.037 0.364 163 2HD2 LEU 21 2HD2 LEU 21 6.248 3.727 -0.587 164 3HD2 LEU 21 3HD2 LEU 21 5.189 2.392 -0.136 165 H LYS 22 H LYS 22 5.328 -0.494 -2.711 166 HA LYS 22 HA LYS 22 3.565 -1.577 -4.744 167 1HB LYS 22 2HB LYS 22 6.183 -1.114 -5.464 168 2HB LYS 22 1HB LYS 22 6.247 -2.792 -4.926 169 1HG LYS 22 2HG LYS 22 3.934 -2.747 -6.427 170 2HG LYS 22 1HG LYS 22 4.985 -1.645 -7.318 171 1HD LYS 22 2HD LYS 22 6.522 -3.926 -6.489 172 2HD LYS 22 1HD LYS 22 5.063 -4.486 -7.306 173 1HE LYS 22 2HE LYS 22 6.152 -4.048 -9.255 174 2HE LYS 22 1HE LYS 22 5.944 -2.328 -8.868 175 1HZ LYS 22 1HZ LYS 22 7.963 -2.930 -7.264 176 2HZ LYS 22 2HZ LYS 22 8.193 -2.374 -8.853 177 3HZ LYS 22 3HZ LYS 22 8.278 -4.037 -8.512 178 H CYS 23 H CYS 23 2.767 -3.566 -4.056 179 HA CYS 23 HA CYS 23 2.757 -4.459 -1.479 180 1HB CYS 23 2HB CYS 23 1.464 -5.442 -3.338 181 2HB CYS 23 1HB CYS 23 2.934 -6.165 -3.986 182 H SER 24 H SER 24 4.006 -5.801 -0.153 183 HA SER 24 HA SER 24 6.727 -6.566 -1.149 184 1HB SER 24 2HB SER 24 5.889 -4.709 0.928 185 2HB SER 24 1HB SER 24 6.894 -5.988 1.601 186 HG SER 24 HG SER 24 7.474 -4.118 -0.431 187 H LYS 25 H LYS 25 6.824 -8.763 -1.037 188 HA LYS 25 HA LYS 25 4.993 -10.401 0.458 189 1HB LYS 25 2HB LYS 25 6.418 -12.206 -0.373 190 2HB LYS 25 1HB LYS 25 6.217 -10.998 -1.642 191 1HG LYS 25 2HG LYS 25 8.430 -10.074 -0.258 192 2HG LYS 25 1HG LYS 25 8.648 -11.825 -0.229 193 1HD LYS 25 2HD LYS 25 8.854 -11.978 -2.518 194 2HD LYS 25 1HD LYS 25 7.807 -10.588 -2.812 195 1HE LYS 25 2HE LYS 25 9.907 -9.694 -3.349 196 2HE LYS 25 1HE LYS 25 9.793 -9.265 -1.631 197 1HZ LYS 25 1HZ LYS 25 10.751 -11.946 -2.258 198 2HZ LYS 25 2HZ LYS 25 11.234 -10.883 -1.023 199 3HZ LYS 25 3HZ LYS 25 11.814 -10.671 -2.606 200 H LEU 26 H LEU 26 8.104 -8.981 1.222 201 HA LEU 26 HA LEU 26 9.198 -10.543 3.207 202 1HB LEU 26 2HB LEU 26 8.881 -7.655 2.663 203 2HB LEU 26 1HB LEU 26 9.307 -8.045 4.330 204 HG LEU 26 HG LEU 26 11.305 -7.713 2.858 205 1HD1 LEU 26 1HD1 LEU 26 10.684 -10.078 4.485 206 2HD1 LEU 26 2HD1 LEU 26 12.098 -9.026 4.529 207 3HD1 LEU 26 3HD1 LEU 26 12.011 -10.338 3.353 208 1HD2 LEU 26 1HD2 LEU 26 10.727 -10.365 1.594 209 2HD2 LEU 26 2HD2 LEU 26 11.706 -9.028 0.990 210 3HD2 LEU 26 3HD2 LEU 26 9.946 -8.933 0.923 211 H PHE 27 H PHE 27 6.303 -8.491 3.524 212 HA PHE 27 HA PHE 27 5.550 -10.054 5.954 213 1HB PHE 27 2HB PHE 27 6.007 -7.108 5.643 214 2HB PHE 27 1HB PHE 27 4.805 -7.686 6.798 215 HD1 PHE 27 1HD PHE 27 8.093 -6.684 6.572 216 HD2 PHE 27 2HD PHE 27 5.741 -9.928 8.115 217 HE1 PHE 27 1HE PHE 27 9.900 -7.229 8.178 218 HE2 PHE 27 2HE PHE 27 7.546 -10.474 9.721 219 HZ PHE 27 HZ PHE 27 9.629 -9.124 9.755 220 H LYS 28 H LYS 28 4.678 -9.148 2.938 221 HA LYS 28 HA LYS 28 2.583 -9.356 1.845 222 1HB LYS 28 2HB LYS 28 1.242 -9.401 4.542 223 2HB LYS 28 1HB LYS 28 0.776 -10.234 3.061 224 1HG LYS 28 2HG LYS 28 3.334 -11.210 3.623 225 2HG LYS 28 1HG LYS 28 2.544 -11.121 5.197 226 1HD LYS 28 2HD LYS 28 1.162 -12.843 4.710 227 2HD LYS 28 1HD LYS 28 0.763 -12.169 3.130 228 1HE LYS 28 2HE LYS 28 2.431 -13.356 2.050 229 2HE LYS 28 1HE LYS 28 3.488 -13.367 3.477 230 1HZ LYS 28 1HZ LYS 28 2.516 -15.547 3.169 231 2HZ LYS 28 2HZ LYS 28 0.950 -14.887 3.160 232 3HZ LYS 28 3HZ LYS 28 1.887 -14.840 4.576 233 H LEU 29 H LEU 29 3.798 -6.784 3.140 234 HA LEU 29 HA LEU 29 1.274 -5.146 2.969 235 1HB LEU 29 2HB LEU 29 3.875 -4.586 4.442 236 2HB LEU 29 1HB LEU 29 2.505 -3.493 4.368 237 HG LEU 29 HG LEU 29 2.097 -4.543 6.393 238 1HD1 LEU 29 1HD1 LEU 29 0.150 -5.783 6.111 239 2HD1 LEU 29 2HD1 LEU 29 0.795 -6.679 4.735 240 3HD1 LEU 29 3HD1 LEU 29 0.285 -5.003 4.536 241 1HD2 LEU 29 1HD2 LEU 29 3.520 -6.826 5.112 242 2HD2 LEU 29 2HD2 LEU 29 2.372 -7.202 6.397 243 3HD2 LEU 29 3HD2 LEU 29 3.732 -6.128 6.716 244 H CYS 30 H CYS 30 1.839 -2.828 2.147 245 HA CYS 30 HA CYS 30 3.460 -3.185 -0.296 246 1HB CYS 30 2HB CYS 30 2.139 -1.479 -1.134 247 2HB CYS 30 1HB CYS 30 1.052 -2.179 0.047 248 H ASN 31 H ASN 31 5.453 -2.322 -0.545 249 HA ASN 31 HA ASN 31 6.442 -0.425 1.561 250 1HB ASN 31 2HB ASN 31 7.378 -2.861 1.000 251 2HB ASN 31 1HB ASN 31 8.233 -1.984 -0.268 252 1HD2 ASN 31 1HD2 ASN 31 10.338 -1.747 0.547 253 2HD2 ASN 31 2HD2 ASN 31 10.707 -1.102 2.072 254 H PHE 32 H PHE 32 8.827 0.129 -0.133 255 HA PHE 32 HA PHE 32 7.650 2.293 -1.743 256 1HB PHE 32 2HB PHE 32 10.019 1.809 -0.334 257 2HB PHE 32 1HB PHE 32 10.515 1.818 -2.023 258 HD1 PHE 32 1HD PHE 32 11.201 3.882 -2.831 259 HD2 PHE 32 2HD PHE 32 8.093 3.730 0.133 260 HE1 PHE 32 1HE PHE 32 11.044 6.357 -2.866 261 HE2 PHE 32 2HE PHE 32 7.937 6.204 0.096 262 HZ PHE 32 HZ PHE 32 9.413 7.518 -1.403 263 H SER 33 H SER 33 9.521 2.385 -3.826 264 HA SER 33 HA SER 33 8.771 -0.031 -5.443 265 1HB SER 33 2HB SER 33 8.363 2.788 -5.772 266 2HB SER 33 1HB SER 33 9.436 2.234 -7.055 267 HG SER 33 HG SER 33 7.853 1.100 -7.879 268 H PHE 34 H PHE 34 11.098 -0.241 -3.968 269 HA PHE 34 HA PHE 34 13.332 0.512 -5.800 270 1HB PHE 34 2HB PHE 34 13.392 1.139 -3.390 271 2HB PHE 34 1HB PHE 34 13.299 -0.569 -2.962 272 HD1 PHE 34 1HD PHE 34 15.165 0.918 -5.823 273 HD2 PHE 34 2HD PHE 34 15.418 -0.912 -1.926 274 HE1 PHE 34 1HE PHE 34 17.635 0.715 -6.077 275 HE2 PHE 34 2HE PHE 34 17.885 -1.114 -2.180 276 HZ PHE 34 HZ PHE 34 18.994 -0.299 -4.254 277 1HN NH2 35 1HN NH2 35 14.104 -1.061 -7.265 278 2HN NH2 35 2HN NH2 35 14.004 -2.818 -6.975 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -8.670 7.518 0.207 2 2H GLY 1 2HT GLY 1 -7.790 7.766 -1.225 3 3H GLY 1 3HT GLY 1 -7.121 6.846 0.038 4 1HA GLY 1 2HA GLY 1 -9.544 5.653 -0.564 5 2HA GLY 1 1HA GLY 1 -8.755 5.995 -2.104 6 H CYS 2 H CYS 2 -6.339 5.389 -2.138 7 HA CYS 2 HA CYS 2 -5.977 2.630 -1.752 8 1HB CYS 2 2HB CYS 2 -3.530 3.276 -1.939 9 2HB CYS 2 1HB CYS 2 -4.565 3.955 -3.193 10 H LEU 3 H LEU 3 -3.758 2.097 -0.301 11 HA LEU 3 HA LEU 3 -4.699 2.453 2.484 12 1HB LEU 3 2HB LEU 3 -2.572 0.732 1.170 13 2HB LEU 3 1HB LEU 3 -3.056 0.620 2.859 14 HG LEU 3 HG LEU 3 -5.484 0.428 1.751 15 1HD1 LEU 3 1HD1 LEU 3 -3.541 -0.079 -0.414 16 2HD1 LEU 3 2HD1 LEU 3 -5.251 0.344 -0.512 17 3HD1 LEU 3 3HD1 LEU 3 -4.772 -1.329 -0.226 18 1HD2 LEU 3 1HD2 LEU 3 -3.588 -1.935 1.809 19 2HD2 LEU 3 2HD2 LEU 3 -5.326 -1.947 2.105 20 3HD2 LEU 3 3HD2 LEU 3 -4.238 -1.190 3.268 21 H GLU 4 H GLU 4 -1.701 1.822 3.148 22 HA GLU 4 HA GLU 4 -0.778 4.674 3.065 23 1HB GLU 4 2HB GLU 4 -1.554 3.351 5.242 24 2HB GLU 4 1HB GLU 4 0.088 2.711 5.155 25 1HG GLU 4 2HG GLU 4 1.063 4.769 5.548 26 2HG GLU 4 1HG GLU 4 -0.285 5.661 4.841 27 H PHE 5 H PHE 5 1.763 4.462 3.851 28 HA PHE 5 HA PHE 5 3.158 3.417 1.562 29 1HB PHE 5 2HB PHE 5 3.623 5.315 3.366 30 2HB PHE 5 1HB PHE 5 4.492 4.013 4.177 31 HD1 PHE 5 1HD PHE 5 6.415 2.908 3.088 32 HD2 PHE 5 2HD PHE 5 4.413 6.252 1.280 33 HE1 PHE 5 1HE PHE 5 8.328 3.219 1.542 34 HE2 PHE 5 2HE PHE 5 6.326 6.562 -0.266 35 HZ PHE 5 HZ PHE 5 8.285 5.044 -0.135 36 H TRP 6 H TRP 6 1.888 1.759 4.205 37 HA TRP 6 HA TRP 6 3.506 -0.625 3.592 38 1HB TRP 6 2HB TRP 6 4.848 0.797 5.172 39 2HB TRP 6 1HB TRP 6 3.530 0.680 6.337 40 HD1 TRP 6 HD TRP 6 3.722 -1.230 7.992 41 HE1 TRP 6 1HE TRP 6 4.996 -3.470 8.090 42 HE3 TRP 6 3HE TRP 6 5.846 -1.233 3.354 43 HZ2 TRP 6 2HZ TRP 6 6.695 -5.054 6.419 44 HZ3 TRP 6 3HZ TRP 6 7.289 -3.116 2.634 45 HH2 TRP 6 HH TRP 6 7.716 -5.025 4.157 46 H TRP 7 H TRP 7 0.830 -0.494 3.177 47 HA TRP 7 HA TRP 7 -0.420 -1.765 5.594 48 1HB TRP 7 2HB TRP 7 -1.354 0.006 3.367 49 2HB TRP 7 1HB TRP 7 -2.511 -1.151 4.030 50 HD1 TRP 7 HD TRP 7 0.021 -0.005 6.505 51 HE1 TRP 7 1HE TRP 7 -1.041 1.658 8.163 52 HE3 TRP 7 3HE TRP 7 -4.414 0.894 4.135 53 HZ2 TRP 7 2HZ TRP 7 -3.452 3.172 8.447 54 HZ3 TRP 7 3HZ TRP 7 -6.073 2.449 5.122 55 HH2 TRP 7 HH TRP 7 -5.597 3.588 7.273 56 H LYS 8 H LYS 8 -2.208 -3.444 4.769 57 HA LYS 8 HA LYS 8 -0.996 -5.661 3.609 58 1HB LYS 8 2HB LYS 8 -3.850 -4.863 3.028 59 2HB LYS 8 1HB LYS 8 -3.211 -6.484 3.252 60 1HG LYS 8 2HG LYS 8 -2.544 -5.043 5.595 61 2HG LYS 8 1HG LYS 8 -4.235 -4.682 5.247 62 1HD LYS 8 2HD LYS 8 -3.134 -7.498 5.222 63 2HD LYS 8 1HD LYS 8 -3.810 -6.758 6.672 64 1HE LYS 8 2HE LYS 8 -5.848 -6.205 5.061 65 2HE LYS 8 1HE LYS 8 -5.205 -7.585 4.149 66 1HZ LYS 8 1HZ LYS 8 -5.521 -9.013 5.882 67 2HZ LYS 8 2HZ LYS 8 -6.816 -7.953 6.174 68 3HZ LYS 8 3HZ LYS 8 -5.377 -7.805 7.064 69 H CYS 9 H CYS 9 -1.074 -6.528 1.403 70 HA CYS 9 HA CYS 9 -1.614 -4.540 -0.753 71 1HB CYS 9 2HB CYS 9 0.646 -4.838 -1.639 72 2HB CYS 9 1HB CYS 9 0.745 -4.318 0.042 73 H ASN 10 H ASN 10 -1.135 -5.693 -2.965 74 HA ASN 10 HA ASN 10 -1.633 -8.619 -2.877 75 1HB ASN 10 2HB ASN 10 -3.839 -7.556 -2.726 76 2HB ASN 10 1HB ASN 10 -3.473 -6.556 -4.133 77 1HD2 ASN 10 1HD2 ASN 10 -5.687 -8.462 -4.009 78 2HD2 ASN 10 2HD2 ASN 10 -5.388 -9.651 -5.181 79 HA PRO 11 HA PRO 11 1.196 -7.890 -6.289 80 1HB PRO 11 2HB PRO 11 1.626 -10.549 -6.806 81 2HB PRO 11 1HB PRO 11 2.440 -9.674 -5.493 82 1HG PRO 11 2HG PRO 11 0.043 -11.452 -5.379 83 2HG PRO 11 1HG PRO 11 1.431 -11.363 -4.281 84 1HD PRO 11 2HD PRO 11 -0.935 -10.222 -3.682 85 2HD PRO 11 1HD PRO 11 0.612 -9.503 -3.179 86 H ASN 12 H ASN 12 -1.575 -10.087 -6.285 87 HA ASN 12 HA ASN 12 -1.777 -10.196 -9.206 88 1HB ASN 12 2HB ASN 12 -2.527 -12.082 -7.935 89 2HB ASN 12 1HB ASN 12 -3.472 -11.062 -6.851 90 1HD2 ASN 12 1HD2 ASN 12 -5.572 -10.368 -7.556 91 2HD2 ASN 12 2HD2 ASN 12 -6.287 -10.931 -8.989 92 H ASP 13 H ASP 13 -2.678 -7.992 -6.755 93 HA ASP 13 HA ASP 13 -4.065 -6.264 -8.678 94 1HB ASP 13 2HB ASP 13 -5.471 -8.149 -7.023 95 2HB ASP 13 1HB ASP 13 -5.875 -6.517 -6.491 96 H ASP 14 H ASP 14 -1.835 -5.460 -7.584 97 HA ASP 14 HA ASP 14 -1.492 -4.544 -5.010 98 1HB ASP 14 2HB ASP 14 -0.181 -2.725 -6.060 99 2HB ASP 14 1HB ASP 14 0.066 -4.255 -6.905 100 H LYS 15 H LYS 15 -2.289 -2.863 -3.730 101 HA LYS 15 HA LYS 15 -4.413 -1.123 -4.934 102 1HB LYS 15 2HB LYS 15 -5.326 -3.030 -3.622 103 2HB LYS 15 1HB LYS 15 -4.413 -2.477 -2.218 104 1HG LYS 15 2HG LYS 15 -6.031 -0.995 -1.711 105 2HG LYS 15 1HG LYS 15 -5.889 -0.263 -3.310 106 1HD LYS 15 2HD LYS 15 -7.356 -2.865 -3.010 107 2HD LYS 15 1HD LYS 15 -8.168 -1.357 -2.586 108 1HE LYS 15 2HE LYS 15 -7.837 -0.463 -4.809 109 2HE LYS 15 1HE LYS 15 -6.795 -1.828 -5.253 110 1HZ LYS 15 1HZ LYS 15 -8.539 -3.287 -5.274 111 2HZ LYS 15 2HZ LYS 15 -9.338 -1.883 -5.801 112 3HZ LYS 15 3HZ LYS 15 -9.468 -2.383 -4.182 113 H CYS 16 H CYS 16 -1.801 -1.486 -2.592 114 HA CYS 16 HA CYS 16 -1.947 0.751 -0.980 115 1HB CYS 16 2HB CYS 16 -0.096 -0.947 -1.122 116 2HB CYS 16 1HB CYS 16 0.494 -0.125 -2.567 117 H CYS 17 H CYS 17 -1.363 2.997 -1.222 118 HA CYS 17 HA CYS 17 -2.223 4.396 -3.467 119 1HB CYS 17 2HB CYS 17 0.110 5.068 -1.636 120 2HB CYS 17 1HB CYS 17 -0.847 6.226 -2.557 121 H ARG 18 H ARG 18 -0.719 5.642 -5.070 122 HA ARG 18 HA ARG 18 1.321 3.696 -6.071 123 1HB ARG 18 2HB ARG 18 0.877 5.067 -8.234 124 2HB ARG 18 1HB ARG 18 -0.373 3.958 -7.672 125 1HG ARG 18 2HG ARG 18 -0.474 6.733 -6.600 126 2HG ARG 18 1HG ARG 18 -0.897 6.525 -8.301 127 1HD ARG 18 2HD ARG 18 -2.188 4.415 -6.923 128 2HD ARG 18 1HD ARG 18 -2.483 5.887 -5.976 129 HE ARG 18 HE ARG 18 -3.295 5.459 -8.791 130 1HH1 ARG 18 1HH2 ARG 18 -2.075 8.061 -7.129 131 2HH1 ARG 18 2HH2 ARG 18 -3.487 9.056 -7.258 132 1HH2 ARG 18 1HH1 ARG 18 -5.483 6.515 -8.517 133 2HH2 ARG 18 2HH1 ARG 18 -5.416 8.179 -8.045 134 HA PRO 19 HA PRO 19 3.454 7.899 -5.479 135 1HB PRO 19 2HB PRO 19 4.164 8.033 -2.847 136 2HB PRO 19 1HB PRO 19 2.657 8.732 -3.472 137 1HG PRO 19 2HG PRO 19 3.091 6.248 -1.935 138 2HG PRO 19 1HG PRO 19 1.705 7.342 -1.946 139 1HD PRO 19 2HD PRO 19 1.841 4.892 -3.263 140 2HD PRO 19 1HD PRO 19 0.676 6.190 -3.586 141 H LYS 20 H LYS 20 4.322 5.385 -6.309 142 HA LYS 20 HA LYS 20 6.412 4.389 -6.749 143 1HB LYS 20 2HB LYS 20 8.243 5.587 -6.125 144 2HB LYS 20 1HB LYS 20 7.054 6.758 -5.569 145 1HG LYS 20 2HG LYS 20 7.167 5.196 -3.374 146 2HG LYS 20 1HG LYS 20 8.796 4.928 -3.993 147 1HD LYS 20 2HD LYS 20 7.625 7.699 -3.703 148 2HD LYS 20 1HD LYS 20 8.502 6.909 -2.392 149 1HE LYS 20 2HE LYS 20 10.487 7.422 -3.354 150 2HE LYS 20 1HE LYS 20 9.981 6.673 -4.882 151 1HZ LYS 20 1HZ LYS 20 10.116 8.878 -5.481 152 2HZ LYS 20 2HZ LYS 20 9.611 9.444 -3.961 153 3HZ LYS 20 3HZ LYS 20 8.482 8.770 -5.036 154 H LEU 21 H LEU 21 4.345 3.252 -4.920 155 HA LEU 21 HA LEU 21 6.166 1.580 -3.205 156 1HB LEU 21 2HB LEU 21 3.295 2.461 -2.885 157 2HB LEU 21 1HB LEU 21 3.983 1.161 -1.928 158 HG LEU 21 HG LEU 21 5.692 3.535 -1.967 159 1HD1 LEU 21 1HD1 LEU 21 3.177 3.856 -0.366 160 2HD1 LEU 21 2HD1 LEU 21 3.163 4.335 -2.063 161 3HD1 LEU 21 3HD1 LEU 21 4.297 5.090 -0.945 162 1HD2 LEU 21 1HD2 LEU 21 4.893 2.977 0.629 163 2HD2 LEU 21 2HD2 LEU 21 6.285 2.260 -0.181 164 3HD2 LEU 21 3HD2 LEU 21 4.736 1.415 -0.171 165 H LYS 22 H LYS 22 5.208 -0.657 -2.853 166 HA LYS 22 HA LYS 22 3.406 -1.728 -4.847 167 1HB LYS 22 2HB LYS 22 6.110 -1.409 -5.515 168 2HB LYS 22 1HB LYS 22 5.948 -3.121 -5.122 169 1HG LYS 22 2HG LYS 22 4.376 -3.498 -6.811 170 2HG LYS 22 1HG LYS 22 3.911 -1.799 -6.895 171 1HD LYS 22 2HD LYS 22 5.557 -1.303 -8.371 172 2HD LYS 22 1HD LYS 22 6.749 -2.264 -7.496 173 1HE LYS 22 2HE LYS 22 5.595 -4.338 -8.448 174 2HE LYS 22 1HE LYS 22 4.722 -3.234 -9.529 175 1HZ LYS 22 1HZ LYS 22 7.677 -3.328 -9.212 176 2HZ LYS 22 2HZ LYS 22 6.813 -2.323 -10.276 177 3HZ LYS 22 3HZ LYS 22 6.822 -4.006 -10.510 178 H CYS 23 H CYS 23 2.546 -3.687 -4.102 179 HA CYS 23 HA CYS 23 2.567 -4.542 -1.505 180 1HB CYS 23 2HB CYS 23 1.181 -5.506 -3.287 181 2HB CYS 23 1HB CYS 23 2.602 -6.257 -4.008 182 H SER 24 H SER 24 3.798 -5.947 -0.200 183 HA SER 24 HA SER 24 6.430 -6.893 -1.258 184 1HB SER 24 2HB SER 24 5.812 -4.845 0.752 185 2HB SER 24 1HB SER 24 6.916 -6.078 1.351 186 HG SER 24 HG SER 24 7.873 -5.644 -0.933 187 H LYS 25 H LYS 25 6.878 -8.966 -0.583 188 HA LYS 25 HA LYS 25 4.905 -10.463 0.941 189 1HB LYS 25 2HB LYS 25 7.171 -10.885 -0.797 190 2HB LYS 25 1HB LYS 25 7.310 -11.922 0.622 191 1HG LYS 25 2HG LYS 25 4.675 -11.706 -0.808 192 2HG LYS 25 1HG LYS 25 5.932 -12.764 -1.448 193 1HD LYS 25 2HD LYS 25 5.979 -14.085 0.525 194 2HD LYS 25 1HD LYS 25 5.087 -12.877 1.450 195 1HE LYS 25 2HE LYS 25 3.158 -13.272 -0.230 196 2HE LYS 25 1HE LYS 25 4.039 -14.745 -0.683 197 1HZ LYS 25 1HZ LYS 25 4.124 -15.367 1.656 198 2HZ LYS 25 2HZ LYS 25 2.514 -15.187 1.145 199 3HZ LYS 25 3HZ LYS 25 3.253 -13.975 2.080 200 H LEU 26 H LEU 26 8.088 -9.074 1.655 201 HA LEU 26 HA LEU 26 8.961 -10.360 3.917 202 1HB LEU 26 2HB LEU 26 8.985 -7.651 2.840 203 2HB LEU 26 1HB LEU 26 9.076 -7.650 4.599 204 HG LEU 26 HG LEU 26 11.304 -7.806 3.332 205 1HD1 LEU 26 1HD1 LEU 26 11.956 -8.483 5.377 206 2HD1 LEU 26 2HD1 LEU 26 11.538 -10.141 4.943 207 3HD1 LEU 26 3HD1 LEU 26 10.336 -9.099 5.704 208 1HD2 LEU 26 1HD2 LEU 26 10.628 -10.731 3.092 209 2HD2 LEU 26 2HD2 LEU 26 11.901 -9.818 2.282 210 3HD2 LEU 26 3HD2 LEU 26 10.221 -9.623 1.782 211 H PHE 27 H PHE 27 6.149 -8.196 3.739 212 HA PHE 27 HA PHE 27 5.284 -9.240 6.404 213 1HB PHE 27 2HB PHE 27 5.747 -6.416 5.499 214 2HB PHE 27 1HB PHE 27 4.491 -6.756 6.691 215 HD1 PHE 27 1HD PHE 27 5.041 -7.540 8.921 216 HD2 PHE 27 2HD PHE 27 8.114 -6.882 5.995 217 HE1 PHE 27 1HE PHE 27 6.765 -7.705 10.694 218 HE2 PHE 27 2HE PHE 27 9.839 -7.048 7.765 219 HZ PHE 27 HZ PHE 27 9.166 -7.459 10.118 220 H LYS 28 H LYS 28 4.546 -9.008 3.227 221 HA LYS 28 HA LYS 28 2.485 -9.303 2.084 222 1HB LYS 28 2HB LYS 28 1.028 -9.130 4.704 223 2HB LYS 28 1HB LYS 28 0.746 -10.219 3.349 224 1HG LYS 28 2HG LYS 28 3.319 -10.879 4.214 225 2HG LYS 28 1HG LYS 28 2.424 -10.595 5.708 226 1HD LYS 28 2HD LYS 28 1.529 -12.416 3.450 227 2HD LYS 28 1HD LYS 28 2.238 -12.955 4.972 228 1HE LYS 28 2HE LYS 28 0.288 -12.654 6.113 229 2HE LYS 28 1HE LYS 28 -0.040 -11.108 5.307 230 1HZ LYS 28 1HZ LYS 28 -1.607 -12.411 4.305 231 2HZ LYS 28 2HZ LYS 28 -0.684 -13.832 4.432 232 3HZ LYS 28 3HZ LYS 28 -0.313 -12.676 3.242 233 H LEU 29 H LEU 29 3.657 -6.676 3.117 234 HA LEU 29 HA LEU 29 1.164 -5.011 2.880 235 1HB LEU 29 2HB LEU 29 3.733 -4.102 4.178 236 2HB LEU 29 1HB LEU 29 2.094 -3.519 4.454 237 HG LEU 29 HG LEU 29 3.133 -6.256 5.238 238 1HD1 LEU 29 1HD1 LEU 29 4.076 -4.815 6.815 239 2HD1 LEU 29 2HD1 LEU 29 2.530 -5.204 7.567 240 3HD1 LEU 29 3HD1 LEU 29 2.736 -3.672 6.720 241 1HD2 LEU 29 1HD2 LEU 29 0.473 -5.182 4.869 242 2HD2 LEU 29 2HD2 LEU 29 0.728 -5.596 6.565 243 3HD2 LEU 29 3HD2 LEU 29 0.953 -6.821 5.316 244 H CYS 30 H CYS 30 1.803 -2.729 1.987 245 HA CYS 30 HA CYS 30 3.345 -3.199 -0.474 246 1HB CYS 30 2HB CYS 30 2.114 -1.405 -1.276 247 2HB CYS 30 1HB CYS 30 1.028 -2.033 -0.049 248 H ASN 31 H ASN 31 5.408 -2.576 -0.745 249 HA ASN 31 HA ASN 31 6.628 -0.699 1.251 250 1HB ASN 31 2HB ASN 31 7.302 -3.226 0.794 251 2HB ASN 31 1HB ASN 31 8.165 -2.522 -0.572 252 1HD2 ASN 31 1HD2 ASN 31 9.619 -3.716 1.564 253 2HD2 ASN 31 2HD2 ASN 31 10.445 -2.498 2.411 254 H PHE 32 H PHE 32 9.002 -0.618 -0.633 255 HA PHE 32 HA PHE 32 8.332 1.802 -2.042 256 1HB PHE 32 2HB PHE 32 10.607 0.124 -1.473 257 2HB PHE 32 1HB PHE 32 10.629 0.579 -3.173 258 HD1 PHE 32 1HD PHE 32 11.512 2.650 -3.780 259 HD2 PHE 32 2HD PHE 32 10.036 2.080 0.212 260 HE1 PHE 32 1HE PHE 32 12.290 4.924 -3.168 261 HE2 PHE 32 2HE PHE 32 10.814 4.352 0.825 262 HZ PHE 32 HZ PHE 32 11.941 5.776 -0.864 263 H SER 33 H SER 33 9.440 1.489 -4.554 264 HA SER 33 HA SER 33 7.301 0.008 -5.969 265 1HB SER 33 2HB SER 33 9.084 2.286 -6.401 266 2HB SER 33 1HB SER 33 9.006 1.230 -7.808 267 HG SER 33 HG SER 33 7.345 2.838 -7.764 268 H PHE 34 H PHE 34 8.437 -2.086 -5.135 269 HA PHE 34 HA PHE 34 10.811 -2.794 -6.808 270 1HB PHE 34 2HB PHE 34 10.379 -3.040 -4.158 271 2HB PHE 34 1HB PHE 34 9.713 -4.583 -4.692 272 HD1 PHE 34 1HD PHE 34 12.724 -2.384 -5.052 273 HD2 PHE 34 2HD PHE 34 11.136 -6.391 -5.171 274 HE1 PHE 34 1HE PHE 34 15.028 -3.290 -5.302 275 HE2 PHE 34 2HE PHE 34 13.442 -7.298 -5.424 276 HZ PHE 34 HZ PHE 34 15.389 -5.746 -5.484 277 1HN NH2 35 1HN NH2 35 7.660 -4.320 -5.623 278 2HN NH2 35 2HN NH2 35 7.392 -5.285 -7.098 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -9.121 6.351 -2.695 2 2H GLY 1 2HT GLY 1 -9.782 7.336 -1.479 3 3H GLY 1 3HT GLY 1 -9.494 5.688 -1.179 4 1HA GLY 1 2HA GLY 1 -7.280 7.495 -1.917 5 2HA GLY 1 1HA GLY 1 -7.837 7.380 -0.246 6 H CYS 2 H CYS 2 -5.538 6.189 -2.232 7 HA CYS 2 HA CYS 2 -5.545 3.385 -1.963 8 1HB CYS 2 2HB CYS 2 -3.023 3.735 -2.058 9 2HB CYS 2 1HB CYS 2 -3.942 4.522 -3.336 10 H LEU 3 H LEU 3 -3.416 2.538 -0.495 11 HA LEU 3 HA LEU 3 -4.359 2.948 2.295 12 1HB LEU 3 2HB LEU 3 -2.685 0.886 0.845 13 2HB LEU 3 1HB LEU 3 -2.942 0.852 2.588 14 HG LEU 3 HG LEU 3 -5.479 1.063 1.934 15 1HD1 LEU 3 1HD1 LEU 3 -4.104 0.275 -0.613 16 2HD1 LEU 3 2HD1 LEU 3 -5.489 1.342 -0.376 17 3HD1 LEU 3 3HD1 LEU 3 -5.689 -0.407 -0.253 18 1HD2 LEU 3 1HD2 LEU 3 -3.667 -1.146 2.352 19 2HD2 LEU 3 2HD2 LEU 3 -4.953 -1.634 1.249 20 3HD2 LEU 3 3HD2 LEU 3 -5.355 -0.997 2.843 21 H GLU 4 H GLU 4 -2.272 2.420 3.841 22 HA GLU 4 HA GLU 4 -0.589 4.771 3.697 23 1HB GLU 4 2HB GLU 4 -1.386 2.820 5.555 24 2HB GLU 4 1HB GLU 4 0.363 2.637 5.425 25 1HG GLU 4 2HG GLU 4 0.472 5.199 5.655 26 2HG GLU 4 1HG GLU 4 -1.205 5.102 6.191 27 H PHE 5 H PHE 5 1.924 3.899 4.386 28 HA PHE 5 HA PHE 5 2.927 2.886 1.797 29 1HB PHE 5 2HB PHE 5 4.533 4.389 2.312 30 2HB PHE 5 1HB PHE 5 3.729 4.703 3.844 31 HD1 PHE 5 1HD PHE 5 4.482 3.635 5.912 32 HD2 PHE 5 2HD PHE 5 6.413 2.817 2.162 33 HE1 PHE 5 1HE PHE 5 6.374 2.578 7.116 34 HE2 PHE 5 2HE PHE 5 8.305 1.761 3.368 35 HZ PHE 5 HZ PHE 5 8.286 1.641 5.845 36 H TRP 6 H TRP 6 1.738 1.297 4.357 37 HA TRP 6 HA TRP 6 3.395 -1.089 3.864 38 1HB TRP 6 2HB TRP 6 4.635 0.381 5.520 39 2HB TRP 6 1HB TRP 6 3.278 0.170 6.627 40 HD1 TRP 6 HD TRP 6 3.583 -1.728 8.268 41 HE1 TRP 6 1HE TRP 6 4.889 -3.951 8.312 42 HE3 TRP 6 3HE TRP 6 5.635 -1.640 3.595 43 HZ2 TRP 6 2HZ TRP 6 6.581 -5.487 6.593 44 HZ3 TRP 6 3HZ TRP 6 7.090 -3.492 2.824 45 HH2 TRP 6 HH TRP 6 7.564 -5.414 4.315 46 H TRP 7 H TRP 7 0.755 -0.943 3.305 47 HA TRP 7 HA TRP 7 -0.639 -2.190 5.651 48 1HB TRP 7 2HB TRP 7 -1.428 -0.438 3.352 49 2HB TRP 7 1HB TRP 7 -2.634 -1.555 3.992 50 HD1 TRP 7 HD TRP 7 -0.286 -0.541 6.637 51 HE1 TRP 7 1HE TRP 7 -1.346 1.242 8.169 52 HE3 TRP 7 3HE TRP 7 -4.360 0.726 3.831 53 HZ2 TRP 7 2HZ TRP 7 -3.621 2.975 8.200 54 HZ3 TRP 7 3HZ TRP 7 -5.955 2.444 4.634 55 HH2 TRP 7 HH TRP 7 -5.591 3.569 6.814 56 H LYS 8 H LYS 8 -2.185 -3.982 4.993 57 HA LYS 8 HA LYS 8 -0.976 -6.115 3.673 58 1HB LYS 8 2HB LYS 8 -3.925 -5.576 3.367 59 2HB LYS 8 1HB LYS 8 -3.119 -7.112 3.648 60 1HG LYS 8 2HG LYS 8 -3.713 -6.810 5.815 61 2HG LYS 8 1HG LYS 8 -2.363 -5.675 5.865 62 1HD LYS 8 2HD LYS 8 -4.002 -4.236 6.577 63 2HD LYS 8 1HD LYS 8 -4.259 -4.052 4.841 64 1HE LYS 8 2HE LYS 8 -5.684 -6.244 6.345 65 2HE LYS 8 1HE LYS 8 -6.336 -4.594 6.328 66 1HZ LYS 8 1HZ LYS 8 -5.922 -4.674 3.842 67 2HZ LYS 8 2HZ LYS 8 -7.221 -5.604 4.421 68 3HZ LYS 8 3HZ LYS 8 -5.750 -6.351 4.019 69 H CYS 9 H CYS 9 -1.131 -6.916 1.485 70 HA CYS 9 HA CYS 9 -2.317 -5.207 -0.599 71 1HB CYS 9 2HB CYS 9 -0.165 -4.657 -1.623 72 2HB CYS 9 1HB CYS 9 -0.156 -4.125 0.059 73 H ASN 10 H ASN 10 -1.205 -6.131 -2.832 74 HA ASN 10 HA ASN 10 -0.715 -9.029 -2.732 75 1HB ASN 10 2HB ASN 10 -3.286 -8.329 -2.577 76 2HB ASN 10 1HB ASN 10 -3.101 -8.161 -4.324 77 1HD2 ASN 10 1HD2 ASN 10 -4.404 -10.076 -4.781 78 2HD2 ASN 10 2HD2 ASN 10 -3.831 -11.637 -4.442 79 HA PRO 11 HA PRO 11 1.541 -7.409 -6.242 80 1HB PRO 11 2HB PRO 11 2.629 -9.830 -6.972 81 2HB PRO 11 1HB PRO 11 3.271 -8.826 -5.655 82 1HG PRO 11 2HG PRO 11 1.420 -11.172 -5.509 83 2HG PRO 11 1HG PRO 11 2.838 -10.796 -4.511 84 1HD PRO 11 2HD PRO 11 0.366 -10.312 -3.615 85 2HD PRO 11 1HD PRO 11 1.702 -9.188 -3.266 86 H ASN 12 H ASN 12 -1.046 -9.632 -6.141 87 HA ASN 12 HA ASN 12 -1.181 -10.063 -9.065 88 1HB ASN 12 2HB ASN 12 -1.825 -11.788 -7.375 89 2HB ASN 12 1HB ASN 12 -3.102 -10.715 -6.801 90 1HD2 ASN 12 1HD2 ASN 12 -4.765 -10.054 -8.534 91 2HD2 ASN 12 2HD2 ASN 12 -5.148 -11.196 -9.732 92 H ASP 13 H ASP 13 -2.260 -7.823 -6.689 93 HA ASP 13 HA ASP 13 -3.447 -6.031 -8.614 94 1HB ASP 13 2HB ASP 13 -5.083 -8.061 -8.216 95 2HB ASP 13 1HB ASP 13 -5.443 -7.227 -6.703 96 H ASP 14 H ASP 14 -1.520 -5.532 -6.768 97 HA ASP 14 HA ASP 14 -2.249 -4.797 -4.139 98 1HB ASP 14 2HB ASP 14 -0.188 -3.571 -4.190 99 2HB ASP 14 1HB ASP 14 0.034 -4.940 -5.280 100 H LYS 15 H LYS 15 -2.785 -2.709 -3.244 101 HA LYS 15 HA LYS 15 -4.037 -0.808 -5.199 102 1HB LYS 15 2HB LYS 15 -5.630 -2.279 -3.929 103 2HB LYS 15 1HB LYS 15 -5.014 -1.579 -2.432 104 1HG LYS 15 2HG LYS 15 -6.698 -0.072 -2.732 105 2HG LYS 15 1HG LYS 15 -5.565 0.680 -3.855 106 1HD LYS 15 2HD LYS 15 -6.920 -1.473 -5.194 107 2HD LYS 15 1HD LYS 15 -8.117 -0.413 -4.447 108 1HE LYS 15 2HE LYS 15 -6.642 1.517 -5.472 109 2HE LYS 15 1HE LYS 15 -6.085 0.235 -6.567 110 1HZ LYS 15 1HZ LYS 15 -7.981 0.761 -7.657 111 2HZ LYS 15 2HZ LYS 15 -8.742 1.397 -6.279 112 3HZ LYS 15 3HZ LYS 15 -8.681 -0.283 -6.518 113 H CYS 16 H CYS 16 -1.793 -1.242 -2.651 114 HA CYS 16 HA CYS 16 -1.866 1.051 -1.089 115 1HB CYS 16 2HB CYS 16 -0.147 -0.865 -1.194 116 2HB CYS 16 1HB CYS 16 0.646 0.062 -2.469 117 H CYS 17 H CYS 17 -0.981 3.218 -1.374 118 HA CYS 17 HA CYS 17 -1.689 4.656 -3.626 119 1HB CYS 17 2HB CYS 17 0.781 5.053 -1.904 120 2HB CYS 17 1HB CYS 17 -0.045 6.306 -2.825 121 H ARG 18 H ARG 18 -0.699 5.128 -5.649 122 HA ARG 18 HA ARG 18 1.544 3.299 -6.372 123 1HB ARG 18 2HB ARG 18 -0.957 3.887 -7.467 124 2HB ARG 18 1HB ARG 18 0.193 4.682 -8.543 125 1HG ARG 18 2HG ARG 18 0.012 2.488 -9.413 126 2HG ARG 18 1HG ARG 18 1.506 2.457 -8.474 127 1HD ARG 18 2HD ARG 18 0.098 1.604 -6.510 128 2HD ARG 18 1HD ARG 18 -1.202 1.346 -7.690 129 HE ARG 18 HE ARG 18 1.113 -0.324 -7.429 130 1HH1 ARG 18 1HH1 ARG 18 -1.611 -0.480 -9.057 131 2HH1 ARG 18 2HH1 ARG 18 -0.965 -0.850 -10.621 132 1HH2 ARG 18 1HH2 ARG 18 2.295 -0.044 -9.760 133 2HH2 ARG 18 2HH2 ARG 18 1.244 -0.603 -11.018 134 HA PRO 19 HA PRO 19 2.969 7.752 -7.339 135 1HB PRO 19 2HB PRO 19 3.659 8.964 -4.994 136 2HB PRO 19 1HB PRO 19 2.052 9.143 -5.722 137 1HG PRO 19 2HG PRO 19 2.910 7.498 -3.420 138 2HG PRO 19 1HG PRO 19 1.362 8.295 -3.730 139 1HD PRO 19 2HD PRO 19 1.885 5.586 -4.068 140 2HD PRO 19 1HD PRO 19 0.513 6.476 -4.763 141 H LYS 20 H LYS 20 3.936 5.432 -4.925 142 HA LYS 20 HA LYS 20 6.551 5.029 -6.028 143 1HB LYS 20 2HB LYS 20 7.859 6.140 -4.233 144 2HB LYS 20 1HB LYS 20 6.874 7.305 -5.117 145 1HG LYS 20 2HG LYS 20 5.284 7.462 -3.373 146 2HG LYS 20 1HG LYS 20 5.855 5.980 -2.605 147 1HD LYS 20 2HD LYS 20 6.681 7.850 -1.310 148 2HD LYS 20 1HD LYS 20 8.048 7.137 -2.166 149 1HE LYS 20 2HE LYS 20 8.247 8.939 -3.626 150 2HE LYS 20 1HE LYS 20 6.531 9.368 -3.491 151 1HZ LYS 20 1HZ LYS 20 8.088 9.424 -1.031 152 2HZ LYS 20 2HZ LYS 20 6.850 10.463 -1.553 153 3HZ LYS 20 3HZ LYS 20 8.430 10.649 -2.152 154 H LEU 21 H LEU 21 4.341 3.425 -5.002 155 HA LEU 21 HA LEU 21 5.802 1.938 -2.847 156 1HB LEU 21 2HB LEU 21 2.817 2.446 -2.983 157 2HB LEU 21 1HB LEU 21 3.692 1.673 -1.663 158 HG LEU 21 HG LEU 21 4.197 4.520 -2.576 159 1HD1 LEU 21 1HD1 LEU 21 2.588 5.274 -1.153 160 2HD1 LEU 21 2HD1 LEU 21 2.939 4.034 0.050 161 3HD1 LEU 21 3HD1 LEU 21 1.910 3.656 -1.332 162 1HD2 LEU 21 1HD2 LEU 21 4.866 3.502 0.141 163 2HD2 LEU 21 2HD2 LEU 21 5.746 4.639 -0.880 164 3HD2 LEU 21 3HD2 LEU 21 5.857 2.907 -1.190 165 H LYS 22 H LYS 22 5.005 -0.344 -2.681 166 HA LYS 22 HA LYS 22 3.451 -1.463 -4.858 167 1HB LYS 22 2HB LYS 22 5.967 -0.929 -5.541 168 2HB LYS 22 1HB LYS 22 6.272 -2.451 -4.703 169 1HG LYS 22 2HG LYS 22 3.967 -2.557 -6.523 170 2HG LYS 22 1HG LYS 22 5.497 -2.236 -7.338 171 1HD LYS 22 2HD LYS 22 5.360 -4.407 -5.269 172 2HD LYS 22 1HD LYS 22 4.760 -4.722 -6.899 173 1HE LYS 22 2HE LYS 22 7.261 -3.383 -7.181 174 2HE LYS 22 1HE LYS 22 7.487 -4.693 -6.005 175 1HZ LYS 22 1HZ LYS 22 7.522 -5.164 -8.582 176 2HZ LYS 22 2HZ LYS 22 5.839 -5.229 -8.362 177 3HZ LYS 22 3HZ LYS 22 6.852 -6.278 -7.492 178 H CYS 23 H CYS 23 2.600 -3.459 -4.213 179 HA CYS 23 HA CYS 23 2.558 -4.317 -1.573 180 1HB CYS 23 2HB CYS 23 1.164 -5.149 -3.494 181 2HB CYS 23 1HB CYS 23 2.548 -6.096 -4.035 182 H SER 24 H SER 24 3.772 -5.799 -0.328 183 HA SER 24 HA SER 24 6.372 -6.728 -1.493 184 1HB SER 24 2HB SER 24 5.789 -4.858 0.671 185 2HB SER 24 1HB SER 24 6.787 -6.198 1.228 186 HG SER 24 HG SER 24 7.430 -5.047 -1.226 187 H LYS 25 H LYS 25 5.983 -8.936 -1.550 188 HA LYS 25 HA LYS 25 4.289 -10.371 0.253 189 1HB LYS 25 2HB LYS 25 5.301 -12.323 -0.822 190 2HB LYS 25 1HB LYS 25 5.028 -11.068 -2.031 191 1HG LYS 25 2HG LYS 25 7.255 -10.737 -2.378 192 2HG LYS 25 1HG LYS 25 7.651 -10.938 -0.671 193 1HD LYS 25 2HD LYS 25 6.810 -13.280 -2.382 194 2HD LYS 25 1HD LYS 25 8.494 -12.761 -2.286 195 1HE LYS 25 2HE LYS 25 7.196 -12.987 0.348 196 2HE LYS 25 1HE LYS 25 7.319 -14.526 -0.526 197 1HZ LYS 25 1HZ LYS 25 9.603 -12.678 -0.546 198 2HZ LYS 25 2HZ LYS 25 9.587 -14.371 -0.688 199 3HZ LYS 25 3HZ LYS 25 9.348 -13.640 0.827 200 H LEU 26 H LEU 26 7.576 -9.254 0.557 201 HA LEU 26 HA LEU 26 8.743 -11.075 2.335 202 1HB LEU 26 2HB LEU 26 8.884 -8.192 1.721 203 2HB LEU 26 1HB LEU 26 9.453 -8.605 3.336 204 HG LEU 26 HG LEU 26 11.192 -8.668 1.441 205 1HD1 LEU 26 1HD1 LEU 26 11.352 -9.763 3.739 206 2HD1 LEU 26 2HD1 LEU 26 12.349 -10.487 2.477 207 3HD1 LEU 26 3HD1 LEU 26 10.839 -11.260 2.961 208 1HD2 LEU 26 1HD2 LEU 26 11.132 -10.376 -0.135 209 2HD2 LEU 26 2HD2 LEU 26 9.408 -10.042 0.035 210 3HD2 LEU 26 3HD2 LEU 26 10.127 -11.414 0.878 211 H PHE 27 H PHE 27 6.235 -8.652 2.951 212 HA PHE 27 HA PHE 27 5.769 -9.919 5.623 213 1HB PHE 27 2HB PHE 27 6.256 -7.060 4.872 214 2HB PHE 27 1HB PHE 27 5.160 -7.424 6.206 215 HD1 PHE 27 1HD PHE 27 6.011 -7.887 8.342 216 HD2 PHE 27 2HD PHE 27 8.579 -8.223 4.919 217 HE1 PHE 27 1HE PHE 27 7.949 -8.283 9.834 218 HE2 PHE 27 2HE PHE 27 10.519 -8.621 6.409 219 HZ PHE 27 HZ PHE 27 10.204 -8.650 8.871 220 H LYS 28 H LYS 28 4.517 -9.291 2.647 221 HA LYS 28 HA LYS 28 2.291 -9.515 1.854 222 1HB LYS 28 2HB LYS 28 1.334 -9.438 4.710 223 2HB LYS 28 1HB LYS 28 0.693 -10.361 3.353 224 1HG LYS 28 2HG LYS 28 3.378 -11.213 3.711 225 2HG LYS 28 1HG LYS 28 2.642 -11.165 5.313 226 1HD LYS 28 2HD LYS 28 0.984 -12.336 3.138 227 2HD LYS 28 1HD LYS 28 2.383 -13.280 3.649 228 1HE LYS 28 2HE LYS 28 1.588 -13.008 6.040 229 2HE LYS 28 1HE LYS 28 0.092 -12.312 5.386 230 1HZ LYS 28 1HZ LYS 28 1.191 -15.025 4.988 231 2HZ LYS 28 2HZ LYS 28 0.107 -14.354 3.864 232 3HZ LYS 28 3HZ LYS 28 -0.369 -14.576 5.479 233 H LEU 29 H LEU 29 3.671 -6.913 2.888 234 HA LEU 29 HA LEU 29 1.160 -5.260 2.876 235 1HB LEU 29 2HB LEU 29 3.764 -4.631 4.306 236 2HB LEU 29 1HB LEU 29 2.233 -3.773 4.458 237 HG LEU 29 HG LEU 29 1.983 -6.645 4.990 238 1HD1 LEU 29 1HD1 LEU 29 3.349 -5.137 7.177 239 2HD1 LEU 29 2HD1 LEU 29 4.347 -5.784 5.876 240 3HD1 LEU 29 3HD1 LEU 29 3.345 -6.869 6.840 241 1HD2 LEU 29 1HD2 LEU 29 0.820 -4.126 5.736 242 2HD2 LEU 29 2HD2 LEU 29 1.291 -4.988 7.201 243 3HD2 LEU 29 3HD2 LEU 29 0.202 -5.750 6.042 244 H CYS 30 H CYS 30 1.700 -2.937 2.109 245 HA CYS 30 HA CYS 30 3.320 -3.180 -0.343 246 1HB CYS 30 2HB CYS 30 2.031 -1.374 -1.074 247 2HB CYS 30 1HB CYS 30 0.924 -2.216 -0.007 248 H ASN 31 H ASN 31 5.290 -2.245 -0.612 249 HA ASN 31 HA ASN 31 6.271 -0.414 1.560 250 1HB ASN 31 2HB ASN 31 7.213 -2.839 1.035 251 2HB ASN 31 1HB ASN 31 8.067 -1.991 -0.254 252 1HD2 ASN 31 1HD2 ASN 31 7.257 -0.897 3.084 253 2HD2 ASN 31 2HD2 ASN 31 8.863 -0.584 3.530 254 H PHE 32 H PHE 32 8.684 0.154 -0.055 255 HA PHE 32 HA PHE 32 7.564 2.325 -1.697 256 1HB PHE 32 2HB PHE 32 10.292 1.407 -0.788 257 2HB PHE 32 1HB PHE 32 10.128 2.688 -1.990 258 HD1 PHE 32 1HD PHE 32 10.237 1.967 1.483 259 HD2 PHE 32 2HD PHE 32 8.432 4.612 -1.381 260 HE1 PHE 32 1HE PHE 32 9.780 3.608 3.286 261 HE2 PHE 32 2HE PHE 32 7.975 6.252 0.422 262 HZ PHE 32 HZ PHE 32 8.648 5.750 2.756 263 H SER 33 H SER 33 9.106 2.594 -3.853 264 HA SER 33 HA SER 33 8.696 0.058 -5.390 265 1HB SER 33 2HB SER 33 8.399 2.977 -5.914 266 2HB SER 33 1HB SER 33 8.904 1.972 -7.268 267 HG SER 33 HG SER 33 6.548 2.258 -6.838 268 H PHE 34 H PHE 34 10.918 2.808 -4.987 269 HA PHE 34 HA PHE 34 13.065 1.192 -6.318 270 1HB PHE 34 2HB PHE 34 12.500 4.147 -5.999 271 2HB PHE 34 1HB PHE 34 14.083 3.563 -6.509 272 HD1 PHE 34 1HD PHE 34 14.368 2.356 -8.646 273 HD2 PHE 34 2HD PHE 34 10.558 3.978 -7.442 274 HE1 PHE 34 1HE PHE 34 13.523 2.100 -10.974 275 HE2 PHE 34 2HE PHE 34 9.713 3.718 -9.770 276 HZ PHE 34 HZ PHE 34 11.196 2.784 -11.536 277 1HN NH2 35 1HN NH2 35 12.958 3.968 -3.890 278 2HN NH2 35 2HN NH2 35 14.072 3.203 -2.725 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -9.158 4.748 -3.208 2 2H GLY 1 2HT GLY 1 -10.129 6.072 -2.769 3 3H GLY 1 3HT GLY 1 -10.267 4.599 -1.933 4 1HA GLY 1 2HA GLY 1 -8.047 6.554 -1.855 5 2HA GLY 1 1HA GLY 1 -9.022 5.954 -0.511 6 H CYS 2 H CYS 2 -6.178 5.451 -2.335 7 HA CYS 2 HA CYS 2 -5.716 2.675 -2.061 8 1HB CYS 2 2HB CYS 2 -3.307 3.429 -2.120 9 2HB CYS 2 1HB CYS 2 -4.308 4.113 -3.393 10 H LEU 3 H LEU 3 -3.532 2.206 -0.534 11 HA LEU 3 HA LEU 3 -4.584 2.518 2.234 12 1HB LEU 3 2HB LEU 3 -2.567 0.684 0.909 13 2HB LEU 3 1HB LEU 3 -2.992 0.608 2.612 14 HG LEU 3 HG LEU 3 -5.317 0.637 0.816 15 1HD1 LEU 3 1HD1 LEU 3 -3.716 -1.912 0.913 16 2HD1 LEU 3 2HD1 LEU 3 -3.453 -0.738 -0.377 17 3HD1 LEU 3 3HD1 LEU 3 -5.040 -1.482 -0.169 18 1HD2 LEU 3 1HD2 LEU 3 -5.747 -1.442 2.335 19 2HD2 LEU 3 2HD2 LEU 3 -5.757 0.158 3.076 20 3HD2 LEU 3 3HD2 LEU 3 -4.337 -0.877 3.229 21 H GLU 4 H GLU 4 -1.995 1.904 3.427 22 HA GLU 4 HA GLU 4 -0.779 4.614 3.288 23 1HB GLU 4 2HB GLU 4 -1.567 2.997 5.342 24 2HB GLU 4 1HB GLU 4 0.147 2.591 5.242 25 1HG GLU 4 2HG GLU 4 0.207 4.425 6.675 26 2HG GLU 4 1HG GLU 4 0.449 5.209 5.113 27 H PHE 5 H PHE 5 1.767 4.084 4.147 28 HA PHE 5 HA PHE 5 3.031 3.071 1.707 29 1HB PHE 5 2HB PHE 5 4.188 4.888 2.480 30 2HB PHE 5 1HB PHE 5 3.696 4.613 4.149 31 HD1 PHE 5 1HD PHE 5 6.264 4.032 1.628 32 HD2 PHE 5 2HD PHE 5 4.892 2.918 5.544 33 HE1 PHE 5 1HE PHE 5 8.483 3.039 2.124 34 HE2 PHE 5 2HE PHE 5 7.111 1.926 6.039 35 HZ PHE 5 HZ PHE 5 8.905 1.987 4.330 36 H TRP 6 H TRP 6 1.821 1.436 4.338 37 HA TRP 6 HA TRP 6 3.536 -0.900 3.797 38 1HB TRP 6 2HB TRP 6 4.787 0.604 5.404 39 2HB TRP 6 1HB TRP 6 3.467 0.389 6.553 40 HD1 TRP 6 HD TRP 6 4.270 -1.235 8.332 41 HE1 TRP 6 1HE TRP 6 5.473 -3.512 8.344 42 HE3 TRP 6 3HE TRP 6 5.225 -1.753 3.345 43 HZ2 TRP 6 2HZ TRP 6 6.683 -5.319 6.482 44 HZ3 TRP 6 3HZ TRP 6 6.401 -3.760 2.492 45 HH2 TRP 6 HH TRP 6 7.132 -5.540 4.052 46 H TRP 7 H TRP 7 0.775 -0.613 3.433 47 HA TRP 7 HA TRP 7 -0.461 -2.030 5.764 48 1HB TRP 7 2HB TRP 7 -1.378 -0.240 3.540 49 2HB TRP 7 1HB TRP 7 -2.532 -1.396 4.207 50 HD1 TRP 7 HD TRP 7 -0.182 -0.480 6.843 51 HE1 TRP 7 1HE TRP 7 -1.200 1.291 8.421 52 HE3 TRP 7 3HE TRP 7 -4.189 0.979 4.045 53 HZ2 TRP 7 2HZ TRP 7 -3.424 3.092 8.479 54 HZ3 TRP 7 3HZ TRP 7 -5.742 2.722 4.880 55 HH2 TRP 7 HH TRP 7 -5.363 3.781 7.091 56 H LYS 8 H LYS 8 -1.958 -3.865 5.141 57 HA LYS 8 HA LYS 8 -0.804 -5.919 3.709 58 1HB LYS 8 2HB LYS 8 -3.379 -6.428 3.145 59 2HB LYS 8 1HB LYS 8 -2.729 -6.602 4.766 60 1HG LYS 8 2HG LYS 8 -3.646 -4.528 5.472 61 2HG LYS 8 1HG LYS 8 -3.930 -3.999 3.814 62 1HD LYS 8 2HD LYS 8 -5.266 -6.528 4.523 63 2HD LYS 8 1HD LYS 8 -5.839 -5.126 5.427 64 1HE LYS 8 2HE LYS 8 -6.579 -4.018 3.496 65 2HE LYS 8 1HE LYS 8 -5.503 -4.950 2.435 66 1HZ LYS 8 1HZ LYS 8 -7.714 -6.146 4.019 67 2HZ LYS 8 2HZ LYS 8 -6.757 -6.920 2.849 68 3HZ LYS 8 3HZ LYS 8 -7.857 -5.712 2.386 69 H CYS 9 H CYS 9 -1.192 -6.748 1.502 70 HA CYS 9 HA CYS 9 -2.247 -4.844 -0.495 71 1HB CYS 9 2HB CYS 9 -0.048 -4.610 -1.596 72 2HB CYS 9 1HB CYS 9 0.015 -4.016 0.064 73 H ASN 10 H ASN 10 -1.187 -5.817 -2.768 74 HA ASN 10 HA ASN 10 -1.184 -8.761 -2.798 75 1HB ASN 10 2HB ASN 10 -3.587 -7.948 -2.629 76 2HB ASN 10 1HB ASN 10 -3.360 -7.184 -4.202 77 1HD2 ASN 10 1HD2 ASN 10 -5.199 -8.842 -4.720 78 2HD2 ASN 10 2HD2 ASN 10 -4.704 -10.386 -5.222 79 HA PRO 11 HA PRO 11 1.473 -7.384 -6.119 80 1HB PRO 11 2HB PRO 11 2.202 -9.903 -6.940 81 2HB PRO 11 1HB PRO 11 2.912 -9.093 -5.528 82 1HG PRO 11 2HG PRO 11 0.722 -11.123 -5.634 83 2HG PRO 11 1HG PRO 11 2.106 -11.020 -4.532 84 1HD PRO 11 2HD PRO 11 -0.344 -10.211 -3.784 85 2HD PRO 11 1HD PRO 11 1.123 -9.364 -3.238 86 H ASN 12 H ASN 12 -1.363 -9.346 -6.293 87 HA ASN 12 HA ASN 12 -1.400 -9.367 -9.262 88 1HB ASN 12 2HB ASN 12 -2.093 -11.312 -7.803 89 2HB ASN 12 1HB ASN 12 -3.441 -10.331 -7.231 90 1HD2 ASN 12 1HD2 ASN 12 -2.850 -12.748 -9.369 91 2HD2 ASN 12 2HD2 ASN 12 -3.979 -12.366 -10.578 92 H ASP 13 H ASP 13 -2.718 -7.638 -6.536 93 HA ASP 13 HA ASP 13 -4.108 -5.777 -8.408 94 1HB ASP 13 2HB ASP 13 -5.660 -7.540 -7.468 95 2HB ASP 13 1HB ASP 13 -5.310 -6.905 -5.861 96 H ASP 14 H ASP 14 -1.696 -5.122 -7.372 97 HA ASP 14 HA ASP 14 -1.253 -4.125 -4.857 98 1HB ASP 14 2HB ASP 14 -0.584 -3.314 -7.628 99 2HB ASP 14 1HB ASP 14 -0.311 -2.082 -6.395 100 H LYS 15 H LYS 15 -2.572 -2.947 -3.529 101 HA LYS 15 HA LYS 15 -4.424 -0.947 -4.758 102 1HB LYS 15 2HB LYS 15 -5.079 -2.952 -3.198 103 2HB LYS 15 1HB LYS 15 -4.486 -1.907 -1.907 104 1HG LYS 15 2HG LYS 15 -6.458 -0.824 -1.931 105 2HG LYS 15 1HG LYS 15 -6.097 -0.278 -3.568 106 1HD LYS 15 2HD LYS 15 -6.921 -2.998 -3.745 107 2HD LYS 15 1HD LYS 15 -8.089 -2.158 -2.725 108 1HE LYS 15 2HE LYS 15 -7.547 -0.377 -4.845 109 2HE LYS 15 1HE LYS 15 -7.751 -1.973 -5.594 110 1HZ LYS 15 1HZ LYS 15 -9.926 -1.286 -5.338 111 2HZ LYS 15 2HZ LYS 15 -9.622 -0.482 -3.873 112 3HZ LYS 15 3HZ LYS 15 -9.688 -2.179 -3.917 113 H CYS 16 H CYS 16 -1.709 -1.319 -2.562 114 HA CYS 16 HA CYS 16 -1.758 0.964 -0.986 115 1HB CYS 16 2HB CYS 16 0.032 -0.824 -1.206 116 2HB CYS 16 1HB CYS 16 0.625 0.041 -2.624 117 H CYS 17 H CYS 17 -1.218 3.189 -1.336 118 HA CYS 17 HA CYS 17 -2.128 4.501 -3.600 119 1HB CYS 17 2HB CYS 17 0.264 5.239 -1.878 120 2HB CYS 17 1HB CYS 17 -0.723 6.363 -2.812 121 H ARG 18 H ARG 18 -0.779 5.618 -5.362 122 HA ARG 18 HA ARG 18 1.335 3.714 -6.300 123 1HB ARG 18 2HB ARG 18 -1.062 4.641 -7.422 124 2HB ARG 18 1HB ARG 18 0.215 5.476 -8.309 125 1HG ARG 18 2HG ARG 18 -0.105 3.425 -9.465 126 2HG ARG 18 1HG ARG 18 1.360 3.199 -8.508 127 1HD ARG 18 2HD ARG 18 0.409 1.487 -7.366 128 2HD ARG 18 1HD ARG 18 -0.991 2.495 -6.949 129 HE ARG 18 HE ARG 18 -0.824 1.385 -9.707 130 1HH1 ARG 18 1HH2 ARG 18 -3.112 2.738 -7.954 131 2HH1 ARG 18 2HH2 ARG 18 -4.178 1.379 -7.818 132 1HH2 ARG 18 1HH1 ARG 18 -1.835 -0.912 -8.944 133 2HH2 ARG 18 2HH1 ARG 18 -3.456 -0.685 -8.378 134 HA PRO 19 HA PRO 19 3.062 8.125 -6.160 135 1HB PRO 19 2HB PRO 19 4.273 8.231 -3.707 136 2HB PRO 19 1HB PRO 19 2.611 8.791 -3.977 137 1HG PRO 19 2HG PRO 19 3.581 6.258 -2.768 138 2HG PRO 19 1HG PRO 19 2.165 7.238 -2.357 139 1HD PRO 19 2HD PRO 19 2.077 4.917 -3.833 140 2HD PRO 19 1HD PRO 19 0.848 6.200 -3.891 141 H LYS 20 H LYS 20 4.177 5.112 -4.748 142 HA LYS 20 HA LYS 20 6.264 4.556 -6.539 143 1HB LYS 20 2HB LYS 20 8.215 5.293 -5.025 144 2HB LYS 20 1HB LYS 20 7.372 6.576 -5.887 145 1HG LYS 20 2HG LYS 20 6.086 7.147 -3.921 146 2HG LYS 20 1HG LYS 20 6.698 5.738 -3.055 147 1HD LYS 20 2HD LYS 20 7.950 7.660 -2.297 148 2HD LYS 20 1HD LYS 20 9.020 6.691 -3.312 149 1HE LYS 20 2HE LYS 20 8.719 8.183 -5.190 150 2HE LYS 20 1HE LYS 20 7.430 9.065 -4.347 151 1HZ LYS 20 1HZ LYS 20 10.162 8.760 -3.235 152 2HZ LYS 20 2HZ LYS 20 8.932 9.809 -2.708 153 3HZ LYS 20 3HZ LYS 20 9.711 10.086 -4.192 154 H LEU 21 H LEU 21 4.282 3.278 -4.750 155 HA LEU 21 HA LEU 21 6.111 1.605 -3.069 156 1HB LEU 21 2HB LEU 21 3.139 2.162 -2.801 157 2HB LEU 21 1HB LEU 21 4.123 1.245 -1.662 158 HG LEU 21 HG LEU 21 5.112 3.964 -2.314 159 1HD1 LEU 21 1HD1 LEU 21 2.805 4.562 -2.153 160 2HD1 LEU 21 2HD1 LEU 21 3.486 4.890 -0.561 161 3HD1 LEU 21 3HD1 LEU 21 2.530 3.432 -0.828 162 1HD2 LEU 21 1HD2 LEU 21 6.323 3.346 -0.510 163 2HD2 LEU 21 2HD2 LEU 21 5.279 1.953 -0.223 164 3HD2 LEU 21 3HD2 LEU 21 4.857 3.527 0.453 165 H LYS 22 H LYS 22 5.195 -0.678 -2.782 166 HA LYS 22 HA LYS 22 3.492 -1.714 -4.890 167 1HB LYS 22 2HB LYS 22 6.392 -1.594 -5.112 168 2HB LYS 22 1HB LYS 22 5.808 -3.256 -5.217 169 1HG LYS 22 2HG LYS 22 4.016 -2.199 -6.843 170 2HG LYS 22 1HG LYS 22 5.229 -0.930 -7.017 171 1HD LYS 22 2HD LYS 22 6.886 -2.505 -7.771 172 2HD LYS 22 1HD LYS 22 5.847 -3.873 -7.365 173 1HE LYS 22 2HE LYS 22 4.690 -1.866 -9.239 174 2HE LYS 22 1HE LYS 22 5.993 -2.891 -9.875 175 1HZ LYS 22 1HZ LYS 22 4.183 -4.260 -10.153 176 2HZ LYS 22 2HZ LYS 22 3.383 -3.679 -8.772 177 3HZ LYS 22 3HZ LYS 22 4.699 -4.740 -8.610 178 H CYS 23 H CYS 23 2.538 -3.620 -4.163 179 HA CYS 23 HA CYS 23 2.553 -4.454 -1.536 180 1HB CYS 23 2HB CYS 23 1.069 -5.259 -3.395 181 2HB CYS 23 1HB CYS 23 2.395 -6.269 -3.968 182 H SER 24 H SER 24 3.901 -5.597 -0.219 183 HA SER 24 HA SER 24 6.374 -6.778 -1.435 184 1HB SER 24 2HB SER 24 5.858 -4.854 0.705 185 2HB SER 24 1HB SER 24 6.878 -6.186 1.242 186 HG SER 24 HG SER 24 7.911 -5.685 -0.982 187 H LYS 25 H LYS 25 6.161 -8.971 -1.341 188 HA LYS 25 HA LYS 25 4.367 -10.402 0.363 189 1HB LYS 25 2HB LYS 25 6.772 -11.048 -1.336 190 2HB LYS 25 1HB LYS 25 5.988 -12.313 -0.389 191 1HG LYS 25 2HG LYS 25 4.616 -12.530 -2.185 192 2HG LYS 25 1HG LYS 25 3.834 -11.077 -1.562 193 1HD LYS 25 2HD LYS 25 4.357 -10.697 -3.894 194 2HD LYS 25 1HD LYS 25 5.452 -9.710 -2.925 195 1HE LYS 25 2HE LYS 25 7.242 -11.357 -3.187 196 2HE LYS 25 1HE LYS 25 6.146 -12.445 -4.060 197 1HZ LYS 25 1HZ LYS 25 7.553 -10.180 -5.041 198 2HZ LYS 25 2HZ LYS 25 5.882 -9.967 -5.259 199 3HZ LYS 25 3HZ LYS 25 6.658 -11.334 -5.903 200 H LEU 26 H LEU 26 7.675 -9.294 0.813 201 HA LEU 26 HA LEU 26 8.718 -10.922 2.788 202 1HB LEU 26 2HB LEU 26 8.671 -7.947 2.330 203 2HB LEU 26 1HB LEU 26 9.509 -8.597 3.739 204 HG LEU 26 HG LEU 26 10.265 -10.220 1.548 205 1HD1 LEU 26 1HD1 LEU 26 9.395 -7.902 0.440 206 2HD1 LEU 26 2HD1 LEU 26 10.726 -8.850 -0.225 207 3HD1 LEU 26 3HD1 LEU 26 11.063 -7.460 0.806 208 1HD2 LEU 26 1HD2 LEU 26 11.806 -7.961 2.861 209 2HD2 LEU 26 2HD2 LEU 26 12.485 -9.389 2.078 210 3HD2 LEU 26 3HD2 LEU 26 11.584 -9.553 3.586 211 H PHE 27 H PHE 27 6.138 -8.505 3.162 212 HA PHE 27 HA PHE 27 5.476 -9.752 5.800 213 1HB PHE 27 2HB PHE 27 6.077 -6.901 5.093 214 2HB PHE 27 1HB PHE 27 4.907 -7.247 6.369 215 HD1 PHE 27 1HD PHE 27 5.585 -8.191 8.480 216 HD2 PHE 27 2HD PHE 27 8.426 -7.672 5.302 217 HE1 PHE 27 1HE PHE 27 7.436 -8.644 10.062 218 HE2 PHE 27 2HE PHE 27 10.280 -8.125 6.885 219 HZ PHE 27 HZ PHE 27 9.786 -8.612 9.265 220 H LYS 28 H LYS 28 4.415 -9.199 2.769 221 HA LYS 28 HA LYS 28 2.226 -9.281 1.855 222 1HB LYS 28 2HB LYS 28 1.104 -9.176 4.644 223 2HB LYS 28 1HB LYS 28 0.550 -10.119 3.262 224 1HG LYS 28 2HG LYS 28 3.114 -11.087 3.693 225 2HG LYS 28 1HG LYS 28 2.511 -10.812 5.328 226 1HD LYS 28 2HD LYS 28 0.326 -11.971 4.185 227 2HD LYS 28 1HD LYS 28 1.619 -12.774 3.293 228 1HE LYS 28 2HE LYS 28 1.510 -14.178 5.143 229 2HE LYS 28 1HE LYS 28 2.655 -12.976 5.773 230 1HZ LYS 28 1HZ LYS 28 1.109 -12.067 7.108 231 2HZ LYS 28 2HZ LYS 28 0.320 -13.561 6.949 232 3HZ LYS 28 3HZ LYS 28 -0.142 -12.247 5.978 233 H LEU 29 H LEU 29 3.689 -6.785 3.043 234 HA LEU 29 HA LEU 29 1.281 -4.984 3.078 235 1HB LEU 29 2HB LEU 29 4.022 -4.419 4.244 236 2HB LEU 29 1HB LEU 29 2.513 -3.574 4.577 237 HG LEU 29 HG LEU 29 3.123 -6.450 5.310 238 1HD1 LEU 29 1HD1 LEU 29 2.674 -5.354 7.648 239 2HD1 LEU 29 2HD1 LEU 29 3.061 -3.847 6.817 240 3HD1 LEU 29 3HD1 LEU 29 4.254 -5.144 6.894 241 1HD2 LEU 29 1HD2 LEU 29 0.881 -6.699 5.376 242 2HD2 LEU 29 2HD2 LEU 29 0.642 -5.006 4.947 243 3HD2 LEU 29 3HD2 LEU 29 0.830 -5.469 6.638 244 H CYS 30 H CYS 30 1.854 -2.731 2.199 245 HA CYS 30 HA CYS 30 3.315 -3.112 -0.335 246 1HB CYS 30 2HB CYS 30 1.971 -1.397 -1.084 247 2HB CYS 30 1HB CYS 30 0.959 -2.036 0.195 248 H ASN 31 H ASN 31 5.366 -2.448 -0.595 249 HA ASN 31 HA ASN 31 6.498 -0.485 1.378 250 1HB ASN 31 2HB ASN 31 7.250 -3.007 1.031 251 2HB ASN 31 1HB ASN 31 8.140 -2.327 -0.329 252 1HD2 ASN 31 1HD2 ASN 31 10.230 -2.628 0.706 253 2HD2 ASN 31 2HD2 ASN 31 10.709 -1.687 2.035 254 H PHE 32 H PHE 32 8.919 -0.247 -0.314 255 HA PHE 32 HA PHE 32 8.016 1.932 -2.034 256 1HB PHE 32 2HB PHE 32 10.627 0.596 -1.325 257 2HB PHE 32 1HB PHE 32 10.562 1.832 -2.581 258 HD1 PHE 32 1HD PHE 32 11.548 1.542 0.608 259 HD2 PHE 32 2HD PHE 32 8.633 3.759 -1.639 260 HE1 PHE 32 1HE PHE 32 11.560 3.315 2.340 261 HE2 PHE 32 2HE PHE 32 8.646 5.533 0.095 262 HZ PHE 32 HZ PHE 32 10.109 5.311 2.084 263 H SER 33 H SER 33 9.332 1.842 -4.341 264 HA SER 33 HA SER 33 7.949 -0.079 -5.958 265 1HB SER 33 2HB SER 33 8.597 1.911 -7.016 266 2HB SER 33 1HB SER 33 10.206 1.878 -6.301 267 HG SER 33 HG SER 33 10.311 1.273 -8.473 268 H PHE 34 H PHE 34 11.169 -0.061 -4.503 269 HA PHE 34 HA PHE 34 11.412 -2.956 -4.954 270 1HB PHE 34 2HB PHE 34 12.443 -1.022 -6.801 271 2HB PHE 34 1HB PHE 34 13.807 -1.813 -6.011 272 HD1 PHE 34 1HD PHE 34 12.462 -2.025 -8.961 273 HD2 PHE 34 2HD PHE 34 12.571 -4.482 -5.418 274 HE1 PHE 34 1HE PHE 34 12.091 -4.055 -10.356 275 HE2 PHE 34 2HE PHE 34 12.202 -6.511 -6.812 276 HZ PHE 34 HZ PHE 34 11.962 -6.297 -9.282 277 1HN NH2 35 1HN NH2 35 12.975 0.181 -3.898 278 2HN NH2 35 2HN NH2 35 13.882 -0.532 -2.537 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -10.815 5.438 -2.249 2 2H GLY 1 2HT GLY 1 -10.166 3.870 -2.193 3 3H GLY 1 3HT GLY 1 -10.192 4.730 -3.658 4 1HA GLY 1 2HA GLY 1 -8.458 6.088 -3.084 5 2HA GLY 1 1HA GLY 1 -8.763 5.872 -1.360 6 H CYS 2 H CYS 2 -6.362 5.403 -1.370 7 HA CYS 2 HA CYS 2 -5.876 2.529 -2.048 8 1HB CYS 2 2HB CYS 2 -3.464 3.408 -2.298 9 2HB CYS 2 1HB CYS 2 -4.604 3.826 -3.569 10 H LEU 3 H LEU 3 -3.547 2.071 -0.746 11 HA LEU 3 HA LEU 3 -4.308 2.427 2.104 12 1HB LEU 3 2HB LEU 3 -2.159 0.681 0.891 13 2HB LEU 3 1HB LEU 3 -2.995 0.462 2.420 14 HG LEU 3 HG LEU 3 -4.239 0.245 -0.333 15 1HD1 LEU 3 1HD1 LEU 3 -3.330 -1.735 1.741 16 2HD1 LEU 3 2HD1 LEU 3 -3.076 -1.760 -0.004 17 3HD1 LEU 3 3HD1 LEU 3 -4.664 -2.142 0.662 18 1HD2 LEU 3 1HD2 LEU 3 -5.784 -0.740 1.942 19 2HD2 LEU 3 2HD2 LEU 3 -6.279 0.344 0.642 20 3HD2 LEU 3 3HD2 LEU 3 -5.463 0.988 2.066 21 H GLU 4 H GLU 4 -1.963 2.187 3.419 22 HA GLU 4 HA GLU 4 -0.626 4.768 2.886 23 1HB GLU 4 2HB GLU 4 -1.194 2.996 5.104 24 2HB GLU 4 1HB GLU 4 0.519 3.416 5.085 25 1HG GLU 4 2HG GLU 4 -0.016 5.792 5.030 26 2HG GLU 4 1HG GLU 4 -1.738 5.433 4.899 27 H PHE 5 H PHE 5 1.907 4.364 3.775 28 HA PHE 5 HA PHE 5 3.212 3.142 1.496 29 1HB PHE 5 2HB PHE 5 4.475 4.882 2.259 30 2HB PHE 5 1HB PHE 5 3.831 4.748 3.891 31 HD1 PHE 5 1HD PHE 5 4.701 2.812 5.363 32 HD2 PHE 5 2HD PHE 5 6.647 4.104 1.758 33 HE1 PHE 5 1HE PHE 5 6.800 1.724 6.107 34 HE2 PHE 5 2HE PHE 5 8.747 3.015 2.502 35 HZ PHE 5 HZ PHE 5 8.824 1.824 4.676 36 H TRP 6 H TRP 6 1.820 1.632 4.119 37 HA TRP 6 HA TRP 6 3.445 -0.792 3.688 38 1HB TRP 6 2HB TRP 6 4.664 0.745 5.322 39 2HB TRP 6 1HB TRP 6 3.321 0.490 6.436 40 HD1 TRP 6 HD TRP 6 3.674 -1.417 8.059 41 HE1 TRP 6 1HE TRP 6 5.055 -3.596 8.089 42 HE3 TRP 6 3HE TRP 6 5.744 -1.215 3.395 43 HZ2 TRP 6 2HZ TRP 6 6.804 -5.059 6.361 44 HZ3 TRP 6 3HZ TRP 6 7.261 -3.010 2.614 45 HH2 TRP 6 HH TRP 6 7.795 -4.930 4.089 46 H TRP 7 H TRP 7 0.803 -0.663 3.126 47 HA TRP 7 HA TRP 7 -0.600 -1.847 5.502 48 1HB TRP 7 2HB TRP 7 -1.400 -0.216 3.109 49 2HB TRP 7 1HB TRP 7 -2.593 -1.291 3.836 50 HD1 TRP 7 HD TRP 7 -0.176 -0.022 6.337 51 HE1 TRP 7 1HE TRP 7 -1.252 1.836 7.767 52 HE3 TRP 7 3HE TRP 7 -4.393 0.869 3.599 53 HZ2 TRP 7 2HZ TRP 7 -3.593 3.479 7.753 54 HZ3 TRP 7 3HZ TRP 7 -6.028 2.583 4.328 55 HH2 TRP 7 HH TRP 7 -5.634 3.888 6.400 56 H LYS 8 H LYS 8 -2.173 -3.670 4.814 57 HA LYS 8 HA LYS 8 -0.911 -5.844 3.638 58 1HB LYS 8 2HB LYS 8 -3.833 -5.181 3.225 59 2HB LYS 8 1HB LYS 8 -3.112 -6.774 3.401 60 1HG LYS 8 2HG LYS 8 -2.297 -5.840 5.722 61 2HG LYS 8 1HG LYS 8 -3.624 -4.698 5.506 62 1HD LYS 8 2HD LYS 8 -4.544 -7.331 4.820 63 2HD LYS 8 1HD LYS 8 -3.780 -7.388 6.409 64 1HE LYS 8 2HE LYS 8 -5.789 -6.615 7.177 65 2HE LYS 8 1HE LYS 8 -5.260 -5.046 6.536 66 1HZ LYS 8 1HZ LYS 8 -7.348 -5.590 5.531 67 2HZ LYS 8 2HZ LYS 8 -6.800 -7.137 5.092 68 3HZ LYS 8 3HZ LYS 8 -6.142 -5.759 4.349 69 H CYS 9 H CYS 9 -1.155 -6.798 1.444 70 HA CYS 9 HA CYS 9 -1.999 -5.020 -0.747 71 1HB CYS 9 2HB CYS 9 0.249 -4.817 -1.683 72 2HB CYS 9 1HB CYS 9 0.258 -4.220 -0.024 73 H ASN 10 H ASN 10 -1.374 -6.109 -2.921 74 HA ASN 10 HA ASN 10 -0.918 -9.010 -2.830 75 1HB ASN 10 2HB ASN 10 -3.446 -8.167 -2.332 76 2HB ASN 10 1HB ASN 10 -3.497 -8.236 -4.094 77 1HD2 ASN 10 1HD2 ASN 10 -3.845 -10.280 -4.999 78 2HD2 ASN 10 2HD2 ASN 10 -3.683 -11.747 -4.161 79 HA PRO 11 HA PRO 11 0.720 -7.566 -6.734 80 1HB PRO 11 2HB PRO 11 1.606 -10.035 -7.567 81 2HB PRO 11 1HB PRO 11 2.493 -9.020 -6.409 82 1HG PRO 11 2HG PRO 11 0.645 -11.311 -5.880 83 2HG PRO 11 1HG PRO 11 2.219 -10.945 -5.150 84 1HD PRO 11 2HD PRO 11 -0.062 -10.379 -3.866 85 2HD PRO 11 1HD PRO 11 1.346 -9.294 -3.766 86 H ASN 12 H ASN 12 -1.791 -9.804 -6.090 87 HA ASN 12 HA ASN 12 -2.562 -10.020 -8.967 88 1HB ASN 12 2HB ASN 12 -2.426 -11.963 -7.236 89 2HB ASN 12 1HB ASN 12 -3.920 -11.289 -6.583 90 1HD2 ASN 12 1HD2 ASN 12 -3.087 -13.770 -8.434 91 2HD2 ASN 12 2HD2 ASN 12 -4.317 -13.755 -9.603 92 H ASP 13 H ASP 13 -2.897 -7.816 -6.620 93 HA ASP 13 HA ASP 13 -5.197 -6.511 -7.730 94 1HB ASP 13 2HB ASP 13 -5.627 -8.623 -5.798 95 2HB ASP 13 1HB ASP 13 -6.173 -7.085 -5.128 96 H ASP 14 H ASP 14 -2.684 -5.600 -7.154 97 HA ASP 14 HA ASP 14 -1.926 -4.577 -4.716 98 1HB ASP 14 2HB ASP 14 -0.941 -4.320 -7.081 99 2HB ASP 14 1HB ASP 14 -1.971 -2.896 -7.226 100 H LYS 15 H LYS 15 -2.247 -2.479 -3.683 101 HA LYS 15 HA LYS 15 -4.728 -0.999 -4.369 102 1HB LYS 15 2HB LYS 15 -5.272 -2.920 -2.839 103 2HB LYS 15 1HB LYS 15 -4.190 -2.209 -1.641 104 1HG LYS 15 2HG LYS 15 -5.923 -0.959 -0.928 105 2HG LYS 15 1HG LYS 15 -5.857 -0.103 -2.468 106 1HD LYS 15 2HD LYS 15 -7.271 -2.040 -3.406 107 2HD LYS 15 1HD LYS 15 -7.570 -2.474 -1.722 108 1HE LYS 15 2HE LYS 15 -7.973 0.349 -1.971 109 2HE LYS 15 1HE LYS 15 -8.890 -0.458 -3.258 110 1HZ LYS 15 1HZ LYS 15 -9.816 -0.301 -0.801 111 2HZ LYS 15 2HZ LYS 15 -8.880 -1.705 -0.616 112 3HZ LYS 15 3HZ LYS 15 -10.113 -1.653 -1.782 113 H CYS 16 H CYS 16 -1.790 -1.277 -2.403 114 HA CYS 16 HA CYS 16 -1.664 1.048 -0.940 115 1HB CYS 16 2HB CYS 16 0.098 -0.789 -1.429 116 2HB CYS 16 1HB CYS 16 0.577 0.215 -2.799 117 H CYS 17 H CYS 17 -1.222 3.275 -1.383 118 HA CYS 17 HA CYS 17 -2.298 4.459 -3.697 119 1HB CYS 17 2HB CYS 17 -0.083 5.397 -1.840 120 2HB CYS 17 1HB CYS 17 -0.967 6.443 -2.948 121 H ARG 18 H ARG 18 -0.591 6.014 -5.072 122 HA ARG 18 HA ARG 18 1.297 4.036 -6.287 123 1HB ARG 18 2HB ARG 18 -0.794 5.633 -7.288 124 2HB ARG 18 1HB ARG 18 0.699 6.335 -7.916 125 1HG ARG 18 2HG ARG 18 -0.064 4.599 -9.443 126 2HG ARG 18 1HG ARG 18 1.414 4.061 -8.644 127 1HD ARG 18 2HD ARG 18 0.322 2.440 -7.407 128 2HD ARG 18 1HD ARG 18 -1.185 3.377 -7.324 129 HE ARG 18 HE ARG 18 -1.145 2.881 -9.952 130 1HH1 ARG 18 1HH1 ARG 18 -2.251 1.006 -7.623 131 2HH1 ARG 18 2HH1 ARG 18 -1.812 -0.529 -8.295 132 1HH2 ARG 18 1HH2 ARG 18 0.281 0.826 -10.704 133 2HH2 ARG 18 2HH2 ARG 18 -0.377 -0.632 -10.038 134 HA PRO 19 HA PRO 19 3.689 8.011 -5.261 135 1HB PRO 19 2HB PRO 19 4.374 7.848 -2.618 136 2HB PRO 19 1HB PRO 19 2.929 8.712 -3.182 137 1HG PRO 19 2HG PRO 19 3.162 6.041 -1.926 138 2HG PRO 19 1HG PRO 19 1.881 7.250 -1.780 139 1HD PRO 19 2HD PRO 19 1.735 4.982 -3.354 140 2HD PRO 19 1HD PRO 19 0.755 6.446 -3.576 141 H LYS 20 H LYS 20 4.438 5.656 -6.397 142 HA LYS 20 HA LYS 20 6.352 4.353 -6.813 143 1HB LYS 20 2HB LYS 20 7.171 6.617 -5.149 144 2HB LYS 20 1HB LYS 20 8.210 5.209 -4.926 145 1HG LYS 20 2HG LYS 20 7.708 5.397 -7.704 146 2HG LYS 20 1HG LYS 20 8.098 7.028 -7.159 147 1HD LYS 20 2HD LYS 20 10.149 6.206 -6.095 148 2HD LYS 20 1HD LYS 20 9.755 4.557 -6.577 149 1HE LYS 20 2HE LYS 20 11.192 5.186 -8.312 150 2HE LYS 20 1HE LYS 20 9.625 5.661 -9.001 151 1HZ LYS 20 1HZ LYS 20 10.911 7.561 -7.203 152 2HZ LYS 20 2HZ LYS 20 9.997 7.845 -8.607 153 3HZ LYS 20 3HZ LYS 20 11.624 7.373 -8.730 154 H LEU 21 H LEU 21 4.337 3.318 -5.042 155 HA LEU 21 HA LEU 21 5.998 1.814 -3.041 156 1HB LEU 21 2HB LEU 21 2.999 2.265 -3.109 157 2HB LEU 21 1HB LEU 21 3.930 1.581 -1.780 158 HG LEU 21 HG LEU 21 4.046 4.423 -2.821 159 1HD1 LEU 21 1HD1 LEU 21 2.273 4.349 -1.314 160 2HD1 LEU 21 2HD1 LEU 21 3.615 4.693 -0.222 161 3HD1 LEU 21 3HD1 LEU 21 2.997 3.048 -0.368 162 1HD2 LEU 21 1HD2 LEU 21 6.272 4.152 -2.273 163 2HD2 LEU 21 2HD2 LEU 21 5.944 2.816 -1.170 164 3HD2 LEU 21 3HD2 LEU 21 5.638 4.476 -0.660 165 H LYS 22 H LYS 22 5.205 -0.491 -2.731 166 HA LYS 22 HA LYS 22 3.653 -1.693 -4.871 167 1HB LYS 22 2HB LYS 22 6.141 -1.160 -5.583 168 2HB LYS 22 1HB LYS 22 6.497 -2.619 -4.657 169 1HG LYS 22 2HG LYS 22 6.139 -3.274 -6.957 170 2HG LYS 22 1HG LYS 22 4.747 -3.817 -6.019 171 1HD LYS 22 2HD LYS 22 3.479 -2.728 -7.542 172 2HD LYS 22 1HD LYS 22 4.040 -1.242 -6.775 173 1HE LYS 22 2HE LYS 22 5.814 -2.513 -8.832 174 2HE LYS 22 1HE LYS 22 4.391 -1.606 -9.384 175 1HZ LYS 22 1HZ LYS 22 5.705 0.176 -9.070 176 2HZ LYS 22 2HZ LYS 22 6.778 -0.653 -8.046 177 3HZ LYS 22 3HZ LYS 22 5.324 -0.027 -7.429 178 H CYS 23 H CYS 23 2.735 -3.588 -4.121 179 HA CYS 23 HA CYS 23 2.669 -4.427 -1.500 180 1HB CYS 23 2HB CYS 23 1.292 -5.323 -3.353 181 2HB CYS 23 1HB CYS 23 2.700 -6.176 -3.982 182 H SER 24 H SER 24 3.872 -5.835 -0.177 183 HA SER 24 HA SER 24 6.498 -6.799 -1.251 184 1HB SER 24 2HB SER 24 5.923 -4.794 0.722 185 2HB SER 24 1HB SER 24 6.691 -6.158 1.525 186 HG SER 24 HG SER 24 8.402 -5.122 0.768 187 H LYS 25 H LYS 25 6.222 -9.009 -1.220 188 HA LYS 25 HA LYS 25 4.431 -10.463 0.448 189 1HB LYS 25 2HB LYS 25 5.810 -11.018 -1.737 190 2HB LYS 25 1HB LYS 25 6.999 -11.627 -0.584 191 1HG LYS 25 2HG LYS 25 5.169 -12.998 0.469 192 2HG LYS 25 1HG LYS 25 4.111 -12.502 -0.852 193 1HD LYS 25 2HD LYS 25 6.439 -13.364 -2.131 194 2HD LYS 25 1HD LYS 25 6.199 -14.533 -0.831 195 1HE LYS 25 2HE LYS 25 4.830 -15.486 -2.449 196 2HE LYS 25 1HE LYS 25 3.656 -14.377 -1.713 197 1HZ LYS 25 1HZ LYS 25 5.340 -13.894 -4.108 198 2HZ LYS 25 2HZ LYS 25 4.500 -12.658 -3.300 199 3HZ LYS 25 3HZ LYS 25 3.646 -13.932 -4.029 200 H LEU 26 H LEU 26 7.776 -9.440 0.954 201 HA LEU 26 HA LEU 26 8.720 -11.043 2.987 202 1HB LEU 26 2HB LEU 26 8.750 -8.073 2.490 203 2HB LEU 26 1HB LEU 26 9.561 -8.732 3.909 204 HG LEU 26 HG LEU 26 10.051 -9.837 1.142 205 1HD1 LEU 26 1HD1 LEU 26 11.114 -7.918 0.619 206 2HD1 LEU 26 2HD1 LEU 26 12.265 -8.292 1.902 207 3HD1 LEU 26 3HD1 LEU 26 10.867 -7.273 2.242 208 1HD2 LEU 26 1HD2 LEU 26 10.681 -10.910 3.504 209 2HD2 LEU 26 2HD2 LEU 26 12.035 -9.786 3.383 210 3HD2 LEU 26 3HD2 LEU 26 11.786 -11.005 2.133 211 H PHE 27 H PHE 27 6.191 -8.566 3.246 212 HA PHE 27 HA PHE 27 5.460 -9.706 5.915 213 1HB PHE 27 2HB PHE 27 6.082 -6.889 5.092 214 2HB PHE 27 1HB PHE 27 4.903 -7.181 6.373 215 HD1 PHE 27 1HD PHE 27 8.186 -6.360 5.945 216 HD2 PHE 27 2HD PHE 27 5.807 -9.338 7.924 217 HE1 PHE 27 1HE PHE 27 10.027 -6.760 7.557 218 HE2 PHE 27 2HE PHE 27 7.647 -9.740 9.535 219 HZ PHE 27 HZ PHE 27 9.758 -8.449 9.353 220 H LYS 28 H LYS 28 4.475 -9.137 2.818 221 HA LYS 28 HA LYS 28 2.309 -9.276 1.853 222 1HB LYS 28 2HB LYS 28 1.102 -9.156 4.604 223 2HB LYS 28 1HB LYS 28 0.597 -10.112 3.213 224 1HG LYS 28 2HG LYS 28 3.180 -11.031 3.787 225 2HG LYS 28 1HG LYS 28 2.428 -10.812 5.368 226 1HD LYS 28 2HD LYS 28 1.536 -12.873 4.971 227 2HD LYS 28 1HD LYS 28 0.389 -11.986 3.969 228 1HE LYS 28 2HE LYS 28 1.818 -12.347 1.986 229 2HE LYS 28 1HE LYS 28 2.979 -13.238 2.989 230 1HZ LYS 28 1HZ LYS 28 0.101 -13.936 2.860 231 2HZ LYS 28 2HZ LYS 28 1.367 -14.858 3.518 232 3HZ LYS 28 3HZ LYS 28 1.255 -14.641 1.836 233 H LEU 29 H LEU 29 3.710 -6.753 3.007 234 HA LEU 29 HA LEU 29 1.277 -4.985 2.961 235 1HB LEU 29 2HB LEU 29 3.933 -4.292 4.222 236 2HB LEU 29 1HB LEU 29 2.347 -3.609 4.564 237 HG LEU 29 HG LEU 29 3.069 -6.498 5.131 238 1HD1 LEU 29 1HD1 LEU 29 3.148 -4.039 6.894 239 2HD1 LEU 29 2HD1 LEU 29 4.457 -5.175 6.570 240 3HD1 LEU 29 3HD1 LEU 29 3.074 -5.678 7.541 241 1HD2 LEU 29 1HD2 LEU 29 0.665 -4.773 5.425 242 2HD2 LEU 29 2HD2 LEU 29 1.024 -5.837 6.784 243 3HD2 LEU 29 3HD2 LEU 29 0.775 -6.515 5.175 244 H CYS 30 H CYS 30 1.751 -2.791 2.002 245 HA CYS 30 HA CYS 30 3.393 -3.127 -0.409 246 1HB CYS 30 2HB CYS 30 2.107 -1.369 -1.227 247 2HB CYS 30 1HB CYS 30 1.002 -2.111 -0.085 248 H ASN 31 H ASN 31 5.425 -2.394 -0.598 249 HA ASN 31 HA ASN 31 6.494 -0.537 1.492 250 1HB ASN 31 2HB ASN 31 7.356 -2.965 0.757 251 2HB ASN 31 1HB ASN 31 8.183 -2.026 -0.485 252 1HD2 ASN 31 1HD2 ASN 31 8.308 0.342 1.480 253 2HD2 ASN 31 2HD2 ASN 31 9.592 -0.052 2.516 254 H PHE 32 H PHE 32 8.808 -0.151 -0.491 255 HA PHE 32 HA PHE 32 7.661 2.215 -1.833 256 1HB PHE 32 2HB PHE 32 10.250 1.192 -0.940 257 2HB PHE 32 1HB PHE 32 10.344 1.889 -2.557 258 HD1 PHE 32 1HD PHE 32 10.933 4.135 -2.603 259 HD2 PHE 32 2HD PHE 32 8.526 2.672 0.641 260 HE1 PHE 32 1HE PHE 32 10.859 6.416 -1.628 261 HE2 PHE 32 2HE PHE 32 8.453 4.951 1.615 262 HZ PHE 32 HZ PHE 32 9.620 6.823 0.481 263 H SER 33 H SER 33 9.303 2.228 -4.154 264 HA SER 33 HA SER 33 7.762 0.475 -5.904 265 1HB SER 33 2HB SER 33 9.358 2.827 -6.042 266 2HB SER 33 1HB SER 33 10.066 1.657 -7.152 267 HG SER 33 HG SER 33 8.296 1.696 -8.338 268 H PHE 34 H PHE 34 8.967 -1.277 -4.214 269 HA PHE 34 HA PHE 34 10.799 -2.746 -5.995 270 1HB PHE 34 2HB PHE 34 12.003 -0.971 -4.467 271 2HB PHE 34 1HB PHE 34 11.737 -2.165 -3.197 272 HD1 PHE 34 1HD PHE 34 13.570 -3.529 -2.793 273 HD2 PHE 34 2HD PHE 34 12.728 -2.258 -6.828 274 HE1 PHE 34 1HE PHE 34 15.522 -4.837 -3.612 275 HE2 PHE 34 2HE PHE 34 14.681 -3.566 -7.647 276 HZ PHE 34 HZ PHE 34 16.079 -4.857 -6.040 277 1HN NH2 35 1HN NH2 35 8.845 -4.269 -5.912 278 2HN NH2 35 2HN NH2 35 8.651 -5.304 -4.472 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -8.353 7.424 0.381 2 2H GLY 1 2HT GLY 1 -8.892 5.818 0.241 3 3H GLY 1 3HT GLY 1 -9.756 7.076 -0.507 4 1HA GLY 1 2HA GLY 1 -8.638 6.498 -2.340 5 2HA GLY 1 1HA GLY 1 -7.327 7.412 -1.591 6 H CYS 2 H CYS 2 -5.486 6.248 -1.854 7 HA CYS 2 HA CYS 2 -5.461 3.350 -2.057 8 1HB CYS 2 2HB CYS 2 -2.978 3.767 -2.067 9 2HB CYS 2 1HB CYS 2 -3.861 4.716 -3.253 10 H LEU 3 H LEU 3 -3.473 2.384 -0.598 11 HA LEU 3 HA LEU 3 -4.503 2.475 2.165 12 1HB LEU 3 2HB LEU 3 -2.381 0.843 0.730 13 2HB LEU 3 1HB LEU 3 -2.910 0.549 2.384 14 HG LEU 3 HG LEU 3 -5.190 0.764 0.608 15 1HD1 LEU 3 1HD1 LEU 3 -2.876 -0.896 -0.255 16 2HD1 LEU 3 2HD1 LEU 3 -4.165 -0.175 -1.220 17 3HD1 LEU 3 3HD1 LEU 3 -4.462 -1.663 -0.322 18 1HD2 LEU 3 1HD2 LEU 3 -4.720 -0.392 2.962 19 2HD2 LEU 3 2HD2 LEU 3 -4.323 -1.774 1.944 20 3HD2 LEU 3 3HD2 LEU 3 -5.928 -1.048 1.858 21 H GLU 4 H GLU 4 -1.946 1.784 3.377 22 HA GLU 4 HA GLU 4 -0.738 4.510 3.462 23 1HB GLU 4 2HB GLU 4 -1.759 3.055 5.425 24 2HB GLU 4 1HB GLU 4 -0.157 2.318 5.415 25 1HG GLU 4 2HG GLU 4 0.450 4.058 6.739 26 2HG GLU 4 1HG GLU 4 0.422 5.012 5.256 27 H PHE 5 H PHE 5 1.711 3.850 4.562 28 HA PHE 5 HA PHE 5 3.179 2.959 2.197 29 1HB PHE 5 2HB PHE 5 3.871 4.843 3.617 30 2HB PHE 5 1HB PHE 5 4.026 3.756 4.996 31 HD1 PHE 5 1HD PHE 5 5.882 2.217 5.192 32 HD2 PHE 5 2HD PHE 5 5.436 4.692 1.710 33 HE1 PHE 5 1HE PHE 5 8.193 1.653 4.495 34 HE2 PHE 5 2HE PHE 5 7.749 4.129 1.013 35 HZ PHE 5 HZ PHE 5 9.128 2.609 2.407 36 H TRP 6 H TRP 6 1.658 1.148 4.536 37 HA TRP 6 HA TRP 6 3.368 -1.184 3.973 38 1HB TRP 6 2HB TRP 6 4.531 0.133 5.774 39 2HB TRP 6 1HB TRP 6 3.108 -0.075 6.795 40 HD1 TRP 6 HD TRP 6 3.345 -1.991 8.418 41 HE1 TRP 6 1HE TRP 6 4.559 -4.265 8.448 42 HE3 TRP 6 3HE TRP 6 5.483 -1.909 3.781 43 HZ2 TRP 6 2HZ TRP 6 6.217 -5.840 6.732 44 HZ3 TRP 6 3HZ TRP 6 6.874 -3.808 3.005 45 HH2 TRP 6 HH TRP 6 7.242 -5.773 4.472 46 H TRP 7 H TRP 7 0.593 -0.712 3.481 47 HA TRP 7 HA TRP 7 -0.799 -2.302 5.590 48 1HB TRP 7 2HB TRP 7 -1.596 -0.429 3.370 49 2HB TRP 7 1HB TRP 7 -2.787 -1.543 4.044 50 HD1 TRP 7 HD TRP 7 -0.586 -0.898 6.794 51 HE1 TRP 7 1HE TRP 7 -1.459 0.978 8.331 52 HE3 TRP 7 3HE TRP 7 -4.109 1.185 3.735 53 HZ2 TRP 7 2HZ TRP 7 -3.389 3.088 8.268 54 HZ3 TRP 7 3HZ TRP 7 -5.444 3.127 4.497 55 HH2 TRP 7 HH TRP 7 -5.088 4.081 6.757 56 H LYS 8 H LYS 8 -2.167 -4.124 4.846 57 HA LYS 8 HA LYS 8 -0.984 -6.142 3.461 58 1HB LYS 8 2HB LYS 8 -3.534 -6.495 2.580 59 2HB LYS 8 1HB LYS 8 -3.005 -6.869 4.212 60 1HG LYS 8 2HG LYS 8 -3.862 -4.803 5.062 61 2HG LYS 8 1HG LYS 8 -4.077 -4.148 3.437 62 1HD LYS 8 2HD LYS 8 -6.177 -4.953 3.433 63 2HD LYS 8 1HD LYS 8 -5.514 -6.587 3.517 64 1HE LYS 8 2HE LYS 8 -6.653 -6.675 5.508 65 2HE LYS 8 1HE LYS 8 -5.261 -5.765 6.130 66 1HZ LYS 8 1HZ LYS 8 -7.535 -4.720 6.467 67 2HZ LYS 8 2HZ LYS 8 -7.541 -4.430 4.793 68 3HZ LYS 8 3HZ LYS 8 -6.341 -3.734 5.774 69 H CYS 9 H CYS 9 -0.907 -6.901 1.298 70 HA CYS 9 HA CYS 9 -1.807 -5.094 -0.875 71 1HB CYS 9 2HB CYS 9 0.482 -4.800 -1.698 72 2HB CYS 9 1HB CYS 9 0.383 -4.244 -0.026 73 H ASN 10 H ASN 10 -2.242 -6.275 -2.718 74 HA ASN 10 HA ASN 10 -1.155 -9.057 -2.887 75 1HB ASN 10 2HB ASN 10 -3.497 -9.438 -3.972 76 2HB ASN 10 1HB ASN 10 -3.400 -9.328 -2.218 77 1HD2 ASN 10 1HD2 ASN 10 -5.774 -8.629 -2.483 78 2HD2 ASN 10 2HD2 ASN 10 -6.082 -6.990 -2.796 79 HA PRO 11 HA PRO 11 0.236 -7.415 -6.794 80 1HB PRO 11 2HB PRO 11 1.021 -9.845 -7.836 81 2HB PRO 11 1HB PRO 11 1.994 -8.910 -6.680 82 1HG PRO 11 2HG PRO 11 0.119 -11.184 -6.159 83 2HG PRO 11 1HG PRO 11 1.758 -10.916 -5.533 84 1HD PRO 11 2HD PRO 11 -0.357 -10.351 -4.019 85 2HD PRO 11 1HD PRO 11 1.056 -9.268 -4.029 86 H ASN 12 H ASN 12 -2.331 -9.603 -6.184 87 HA ASN 12 HA ASN 12 -3.165 -9.957 -8.979 88 1HB ASN 12 2HB ASN 12 -3.564 -11.423 -6.830 89 2HB ASN 12 1HB ASN 12 -4.896 -10.307 -6.536 90 1HD2 ASN 12 1HD2 ASN 12 -3.602 -11.868 -9.532 91 2HD2 ASN 12 2HD2 ASN 12 -5.106 -12.471 -10.036 92 H ASP 13 H ASP 13 -3.817 -7.808 -6.281 93 HA ASP 13 HA ASP 13 -5.215 -5.923 -8.083 94 1HB ASP 13 2HB ASP 13 -6.551 -7.767 -6.384 95 2HB ASP 13 1HB ASP 13 -6.702 -6.185 -5.620 96 H ASP 14 H ASP 14 -2.692 -5.669 -6.960 97 HA ASP 14 HA ASP 14 -2.274 -4.583 -4.453 98 1HB ASP 14 2HB ASP 14 -0.712 -4.898 -6.477 99 2HB ASP 14 1HB ASP 14 -1.252 -3.301 -6.996 100 H LYS 15 H LYS 15 -2.762 -2.631 -3.414 101 HA LYS 15 HA LYS 15 -4.283 -0.601 -5.006 102 1HB LYS 15 2HB LYS 15 -5.783 -2.076 -3.703 103 2HB LYS 15 1HB LYS 15 -4.910 -1.650 -2.229 104 1HG LYS 15 2HG LYS 15 -6.328 0.091 -2.008 105 2HG LYS 15 1HG LYS 15 -5.536 0.811 -3.410 106 1HD LYS 15 2HD LYS 15 -7.227 -0.975 -4.613 107 2HD LYS 15 1HD LYS 15 -8.176 -0.496 -3.205 108 1HE LYS 15 2HE LYS 15 -8.482 1.636 -3.986 109 2HE LYS 15 1HE LYS 15 -6.835 1.732 -4.642 110 1HZ LYS 15 1HZ LYS 15 -9.245 0.552 -5.840 111 2HZ LYS 15 2HZ LYS 15 -7.733 -0.126 -6.215 112 3HZ LYS 15 3HZ LYS 15 -8.044 1.507 -6.564 113 H CYS 16 H CYS 16 -1.761 -1.232 -2.725 114 HA CYS 16 HA CYS 16 -1.622 0.997 -1.078 115 1HB CYS 16 2HB CYS 16 0.064 -0.870 -1.316 116 2HB CYS 16 1HB CYS 16 0.669 -0.071 -2.770 117 H CYS 17 H CYS 17 -0.887 3.181 -1.361 118 HA CYS 17 HA CYS 17 -1.757 4.678 -3.506 119 1HB CYS 17 2HB CYS 17 0.815 5.091 -1.944 120 2HB CYS 17 1HB CYS 17 -0.123 6.347 -2.747 121 H ARG 18 H ARG 18 -0.765 5.426 -5.503 122 HA ARG 18 HA ARG 18 1.355 3.564 -6.481 123 1HB ARG 18 2HB ARG 18 0.412 4.328 -8.727 124 2HB ARG 18 1HB ARG 18 -0.679 3.395 -7.703 125 1HG ARG 18 2HG ARG 18 -0.752 6.304 -7.223 126 2HG ARG 18 1HG ARG 18 -1.307 5.815 -8.825 127 1HD ARG 18 2HD ARG 18 -2.305 4.526 -6.262 128 2HD ARG 18 1HD ARG 18 -3.146 5.853 -7.089 129 HE ARG 18 HE ARG 18 -2.921 3.094 -8.067 130 1HH1 ARG 18 1HH1 ARG 18 -5.319 4.979 -8.261 131 2HH1 ARG 18 2HH1 ARG 18 -5.350 5.298 -9.962 132 1HH2 ARG 18 1HH2 ARG 18 -2.130 4.130 -10.508 133 2HH2 ARG 18 2HH2 ARG 18 -3.543 4.820 -11.236 134 HA PRO 19 HA PRO 19 2.943 8.025 -7.011 135 1HB PRO 19 2HB PRO 19 4.004 8.747 -4.604 136 2HB PRO 19 1HB PRO 19 2.342 9.155 -5.074 137 1HG PRO 19 2HG PRO 19 3.326 7.057 -3.231 138 2HG PRO 19 1HG PRO 19 1.832 8.002 -3.178 139 1HD PRO 19 2HD PRO 19 2.038 5.378 -4.047 140 2HD PRO 19 1HD PRO 19 0.700 6.486 -4.419 141 H LYS 20 H LYS 20 4.033 5.324 -5.059 142 HA LYS 20 HA LYS 20 6.349 4.755 -6.578 143 1HB LYS 20 2HB LYS 20 8.033 5.686 -4.847 144 2HB LYS 20 1HB LYS 20 7.272 6.844 -5.935 145 1HG LYS 20 2HG LYS 20 5.694 7.514 -4.241 146 2HG LYS 20 1HG LYS 20 6.204 6.203 -3.174 147 1HD LYS 20 2HD LYS 20 7.611 7.721 -2.254 148 2HD LYS 20 1HD LYS 20 8.582 7.509 -3.711 149 1HE LYS 20 2HE LYS 20 6.463 9.325 -4.347 150 2HE LYS 20 1HE LYS 20 7.235 9.878 -2.848 151 1HZ LYS 20 1HZ LYS 20 8.975 8.855 -4.957 152 2HZ LYS 20 2HZ LYS 20 9.245 10.109 -3.842 153 3HZ LYS 20 3HZ LYS 20 8.280 10.380 -5.214 154 H LEU 21 H LEU 21 4.259 3.370 -5.012 155 HA LEU 21 HA LEU 21 6.018 1.885 -3.078 156 1HB LEU 21 2HB LEU 21 3.037 2.423 -3.037 157 2HB LEU 21 1HB LEU 21 3.883 1.423 -1.859 158 HG LEU 21 HG LEU 21 5.416 3.681 -1.804 159 1HD1 LEU 21 1HD1 LEU 21 4.081 5.044 -3.212 160 2HD1 LEU 21 2HD1 LEU 21 3.638 5.534 -1.577 161 3HD1 LEU 21 3HD1 LEU 21 2.580 4.460 -2.495 162 1HD2 LEU 21 1HD2 LEU 21 4.849 3.327 0.347 163 2HD2 LEU 21 2HD2 LEU 21 3.456 2.369 -0.153 164 3HD2 LEU 21 3HD2 LEU 21 3.301 4.115 0.041 165 H LYS 22 H LYS 22 5.221 -0.417 -2.764 166 HA LYS 22 HA LYS 22 3.690 -1.646 -4.901 167 1HB LYS 22 2HB LYS 22 5.756 -1.360 -6.089 168 2HB LYS 22 1HB LYS 22 6.698 -1.890 -4.696 169 1HG LYS 22 2HG LYS 22 6.019 -4.142 -4.944 170 2HG LYS 22 1HG LYS 22 4.675 -3.710 -6.000 171 1HD LYS 22 2HD LYS 22 6.357 -4.595 -7.443 172 2HD LYS 22 1HD LYS 22 6.433 -2.844 -7.646 173 1HE LYS 22 2HE LYS 22 8.181 -3.087 -5.611 174 2HE LYS 22 1HE LYS 22 8.400 -4.679 -6.361 175 1HZ LYS 22 1HZ LYS 22 8.972 -2.038 -7.434 176 2HZ LYS 22 2HZ LYS 22 8.253 -3.130 -8.518 177 3HZ LYS 22 3HZ LYS 22 9.721 -3.523 -7.760 178 H CYS 23 H CYS 23 2.856 -3.609 -4.162 179 HA CYS 23 HA CYS 23 2.759 -4.377 -1.524 180 1HB CYS 23 2HB CYS 23 1.467 -5.399 -3.377 181 2HB CYS 23 1HB CYS 23 2.931 -6.194 -3.953 182 H SER 24 H SER 24 3.989 -5.614 -0.120 183 HA SER 24 HA SER 24 6.735 -6.402 -1.025 184 1HB SER 24 2HB SER 24 5.775 -4.614 1.002 185 2HB SER 24 1HB SER 24 6.561 -5.974 1.796 186 HG SER 24 HG SER 24 8.397 -5.218 1.137 187 H LYS 25 H LYS 25 6.455 -8.626 -1.277 188 HA LYS 25 HA LYS 25 4.707 -10.304 0.215 189 1HB LYS 25 2HB LYS 25 6.193 -12.092 -0.719 190 2HB LYS 25 1HB LYS 25 5.729 -10.896 -1.929 191 1HG LYS 25 2HG LYS 25 7.850 -9.807 -1.813 192 2HG LYS 25 1HG LYS 25 8.295 -10.677 -0.345 193 1HD LYS 25 2HD LYS 25 9.345 -12.143 -1.711 194 2HD LYS 25 1HD LYS 25 7.731 -12.716 -2.136 195 1HE LYS 25 2HE LYS 25 8.026 -11.979 -4.254 196 2HE LYS 25 1HE LYS 25 8.286 -10.331 -3.649 197 1HZ LYS 25 1HZ LYS 25 10.332 -12.487 -3.723 198 2HZ LYS 25 2HZ LYS 25 10.573 -10.913 -3.130 199 3HZ LYS 25 3HZ LYS 25 10.264 -11.164 -4.781 200 H LEU 26 H LEU 26 7.878 -9.014 0.960 201 HA LEU 26 HA LEU 26 8.996 -10.746 2.789 202 1HB LEU 26 2HB LEU 26 8.857 -7.861 2.338 203 2HB LEU 26 1HB LEU 26 9.141 -8.252 4.036 204 HG LEU 26 HG LEU 26 10.723 -9.930 2.243 205 1HD1 LEU 26 1HD1 LEU 26 11.583 -7.052 2.305 206 2HD1 LEU 26 2HD1 LEU 26 10.471 -7.600 1.050 207 3HD1 LEU 26 3HD1 LEU 26 12.068 -8.335 1.197 208 1HD2 LEU 26 1HD2 LEU 26 11.059 -8.257 4.699 209 2HD2 LEU 26 2HD2 LEU 26 12.507 -8.664 3.779 210 3HD2 LEU 26 3HD2 LEU 26 11.484 -9.947 4.425 211 H PHE 27 H PHE 27 6.238 -8.556 3.416 212 HA PHE 27 HA PHE 27 5.532 -10.291 5.747 213 1HB PHE 27 2HB PHE 27 6.000 -7.321 5.627 214 2HB PHE 27 1HB PHE 27 4.933 -8.022 6.847 215 HD1 PHE 27 1HD PHE 27 8.336 -7.332 5.953 216 HD2 PHE 27 2HD PHE 27 5.861 -9.984 8.251 217 HE1 PHE 27 1HE PHE 27 10.307 -8.007 7.296 218 HE2 PHE 27 2HE PHE 27 7.828 -10.658 9.596 219 HZ PHE 27 HZ PHE 27 10.055 -9.671 9.120 220 H LYS 28 H LYS 28 4.563 -9.134 2.851 221 HA LYS 28 HA LYS 28 2.421 -9.238 1.836 222 1HB LYS 28 2HB LYS 28 1.200 -9.396 4.588 223 2HB LYS 28 1HB LYS 28 0.616 -10.098 3.080 224 1HG LYS 28 2HG LYS 28 3.192 -11.186 3.496 225 2HG LYS 28 1HG LYS 28 2.371 -11.263 5.055 226 1HD LYS 28 2HD LYS 28 0.705 -12.672 4.266 227 2HD LYS 28 1HD LYS 28 0.843 -12.080 2.610 228 1HE LYS 28 2HE LYS 28 1.741 -14.367 2.745 229 2HE LYS 28 1HE LYS 28 3.075 -13.237 2.444 230 1HZ LYS 28 1HZ LYS 28 2.555 -14.846 4.757 231 2HZ LYS 28 2HZ LYS 28 2.763 -13.207 5.157 232 3HZ LYS 28 3HZ LYS 28 3.976 -14.037 4.307 233 H LEU 29 H LEU 29 3.778 -6.780 3.123 234 HA LEU 29 HA LEU 29 1.313 -5.049 3.225 235 1HB LEU 29 2HB LEU 29 4.064 -4.682 4.463 236 2HB LEU 29 1HB LEU 29 2.790 -3.477 4.514 237 HG LEU 29 HG LEU 29 2.524 -4.556 6.570 238 1HD1 LEU 29 1HD1 LEU 29 0.436 -4.579 5.107 239 2HD1 LEU 29 2HD1 LEU 29 0.443 -5.721 6.450 240 3HD1 LEU 29 3HD1 LEU 29 0.772 -6.285 4.812 241 1HD2 LEU 29 1HD2 LEU 29 2.381 -7.289 6.245 242 2HD2 LEU 29 2HD2 LEU 29 3.805 -6.411 6.803 243 3HD2 LEU 29 3HD2 LEU 29 3.648 -6.842 5.102 244 H CYS 30 H CYS 30 1.936 -2.714 2.393 245 HA CYS 30 HA CYS 30 3.412 -3.128 -0.151 246 1HB CYS 30 2HB CYS 30 1.990 -1.537 -1.005 247 2HB CYS 30 1HB CYS 30 0.977 -2.165 0.270 248 H ASN 31 H ASN 31 5.379 -2.192 -0.476 249 HA ASN 31 HA ASN 31 6.265 -0.101 1.492 250 1HB ASN 31 2HB ASN 31 7.199 -2.579 1.438 251 2HB ASN 31 1HB ASN 31 8.152 -1.965 0.086 252 1HD2 ASN 31 1HD2 ASN 31 8.568 -2.550 3.242 253 2HD2 ASN 31 2HD2 ASN 31 9.553 -1.242 3.688 254 H PHE 32 H PHE 32 8.809 0.121 -0.048 255 HA PHE 32 HA PHE 32 8.101 2.256 -1.818 256 1HB PHE 32 2HB PHE 32 10.530 0.585 -1.223 257 2HB PHE 32 1HB PHE 32 10.578 1.742 -2.554 258 HD1 PHE 32 1HD PHE 32 9.463 4.126 -1.907 259 HD2 PHE 32 2HD PHE 32 11.241 1.355 0.852 260 HE1 PHE 32 1HE PHE 32 9.831 5.971 -0.292 261 HE2 PHE 32 2HE PHE 32 11.609 3.201 2.468 262 HZ PHE 32 HZ PHE 32 10.904 5.507 1.896 263 H SER 33 H SER 33 9.332 1.967 -4.186 264 HA SER 33 HA SER 33 7.905 -0.330 -5.480 265 1HB SER 33 2HB SER 33 7.032 1.794 -6.171 266 2HB SER 33 1HB SER 33 8.648 2.471 -6.357 267 HG SER 33 HG SER 33 7.214 0.728 -8.001 268 H PHE 34 H PHE 34 10.318 1.694 -7.026 269 HA PHE 34 HA PHE 34 12.215 -0.630 -7.058 270 1HB PHE 34 2HB PHE 34 12.701 0.269 -9.433 271 2HB PHE 34 1HB PHE 34 11.172 -0.575 -9.191 272 HD1 PHE 34 1HD PHE 34 9.200 0.442 -9.908 273 HD2 PHE 34 2HD PHE 34 12.625 2.884 -8.952 274 HE1 PHE 34 1HE PHE 34 7.961 2.470 -10.648 275 HE2 PHE 34 2HE PHE 34 11.386 4.912 -9.694 276 HZ PHE 34 HZ PHE 34 9.055 4.706 -10.545 277 1HN NH2 35 1HN NH2 35 14.148 0.941 -8.802 278 2HN NH2 35 2HN NH2 35 14.865 2.173 -7.730 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -7.800 8.570 -2.428 2 2H GLY 1 2HT GLY 1 -6.312 7.753 -2.503 3 3H GLY 1 3HT GLY 1 -6.597 8.891 -1.275 4 1HA GLY 1 2HA GLY 1 -7.883 7.498 -0.048 5 2HA GLY 1 1HA GLY 1 -8.427 6.618 -1.478 6 H CYS 2 H CYS 2 -7.003 5.032 -2.404 7 HA CYS 2 HA CYS 2 -5.722 3.085 -2.015 8 1HB CYS 2 2HB CYS 2 -3.417 3.760 -2.262 9 2HB CYS 2 1HB CYS 2 -4.430 4.820 -3.217 10 H LEU 3 H LEU 3 -3.374 2.791 -0.525 11 HA LEU 3 HA LEU 3 -4.487 2.738 2.247 12 1HB LEU 3 2HB LEU 3 -2.317 1.102 0.896 13 2HB LEU 3 1HB LEU 3 -3.008 0.796 2.483 14 HG LEU 3 HG LEU 3 -4.576 0.783 -0.107 15 1HD1 LEU 3 1HD1 LEU 3 -3.553 -1.239 -0.340 16 2HD1 LEU 3 2HD1 LEU 3 -4.691 -1.754 0.904 17 3HD1 LEU 3 3HD1 LEU 3 -3.051 -1.286 1.349 18 1HD2 LEU 3 1HD2 LEU 3 -6.431 0.048 1.198 19 2HD2 LEU 3 2HD2 LEU 3 -5.750 1.401 2.098 20 3HD2 LEU 3 3HD2 LEU 3 -5.418 -0.252 2.609 21 H GLU 4 H GLU 4 -1.655 1.958 3.064 22 HA GLU 4 HA GLU 4 -0.527 4.737 3.151 23 1HB GLU 4 2HB GLU 4 -1.217 2.739 5.148 24 2HB GLU 4 1HB GLU 4 0.473 3.225 5.290 25 1HG GLU 4 2HG GLU 4 -0.181 5.584 5.375 26 2HG GLU 4 1HG GLU 4 -1.874 5.142 5.156 27 H PHE 5 H PHE 5 1.920 4.088 4.259 28 HA PHE 5 HA PHE 5 3.390 3.130 1.932 29 1HB PHE 5 2HB PHE 5 3.946 4.980 3.630 30 2HB PHE 5 1HB PHE 5 4.426 3.679 4.718 31 HD1 PHE 5 1HD PHE 5 5.103 5.247 1.420 32 HD2 PHE 5 2HD PHE 5 6.484 2.495 4.413 33 HE1 PHE 5 1HE PHE 5 7.304 5.119 0.286 34 HE2 PHE 5 2HE PHE 5 8.685 2.364 3.279 35 HZ PHE 5 HZ PHE 5 9.095 3.676 1.215 36 H TRP 6 H TRP 6 1.835 1.433 4.382 37 HA TRP 6 HA TRP 6 3.389 -1.009 3.789 38 1HB TRP 6 2HB TRP 6 4.680 0.271 5.516 39 2HB TRP 6 1HB TRP 6 3.280 0.187 6.582 40 HD1 TRP 6 HD TRP 6 3.450 -1.689 8.264 41 HE1 TRP 6 1HE TRP 6 4.518 -4.033 8.329 42 HE3 TRP 6 3HE TRP 6 5.427 -1.887 3.560 43 HZ2 TRP 6 2HZ TRP 6 6.013 -5.762 6.615 44 HZ3 TRP 6 3HZ TRP 6 6.665 -3.894 2.803 45 HH2 TRP 6 HH TRP 6 6.959 -5.830 4.324 46 H TRP 7 H TRP 7 0.718 -0.649 3.233 47 HA TRP 7 HA TRP 7 -0.740 -2.006 5.474 48 1HB TRP 7 2HB TRP 7 -1.479 -0.211 3.172 49 2HB TRP 7 1HB TRP 7 -2.703 -1.285 3.854 50 HD1 TRP 7 HD TRP 7 -0.261 -0.280 6.427 51 HE1 TRP 7 1HE TRP 7 -1.244 1.546 7.956 52 HE3 TRP 7 3HE TRP 7 -4.393 1.020 3.715 53 HZ2 TRP 7 2HZ TRP 7 -3.482 3.322 8.024 54 HZ3 TRP 7 3HZ TRP 7 -5.931 2.779 4.536 55 HH2 TRP 7 HH TRP 7 -5.482 3.931 6.687 56 H LYS 8 H LYS 8 -2.410 -3.694 4.551 57 HA LYS 8 HA LYS 8 -1.181 -5.876 3.392 58 1HB LYS 8 2HB LYS 8 -3.972 -5.009 2.627 59 2HB LYS 8 1HB LYS 8 -3.377 -6.648 2.842 60 1HG LYS 8 2HG LYS 8 -2.823 -5.672 5.292 61 2HG LYS 8 1HG LYS 8 -4.216 -4.667 4.890 62 1HD LYS 8 2HD LYS 8 -5.368 -6.865 4.185 63 2HD LYS 8 1HD LYS 8 -4.071 -7.677 5.062 64 1HE LYS 8 2HE LYS 8 -5.018 -7.191 7.065 65 2HE LYS 8 1HE LYS 8 -5.233 -5.487 6.618 66 1HZ LYS 8 1HZ LYS 8 -7.284 -5.858 5.796 67 2HZ LYS 8 2HZ LYS 8 -7.263 -7.204 6.834 68 3HZ LYS 8 3HZ LYS 8 -6.893 -7.392 5.187 69 H CYS 9 H CYS 9 -1.118 -6.707 1.181 70 HA CYS 9 HA CYS 9 -1.564 -4.756 -1.006 71 1HB CYS 9 2HB CYS 9 0.784 -4.879 -1.713 72 2HB CYS 9 1HB CYS 9 0.686 -4.296 -0.051 73 H ASN 10 H ASN 10 -1.260 -5.778 -3.148 74 HA ASN 10 HA ASN 10 -1.165 -8.752 -3.155 75 1HB ASN 10 2HB ASN 10 -3.535 -7.616 -2.898 76 2HB ASN 10 1HB ASN 10 -3.351 -7.301 -4.625 77 1HD2 ASN 10 1HD2 ASN 10 -5.055 -8.864 -5.167 78 2HD2 ASN 10 2HD2 ASN 10 -4.784 -10.535 -5.035 79 HA PRO 11 HA PRO 11 1.284 -7.555 -6.683 80 1HB PRO 11 2HB PRO 11 1.787 -10.113 -7.551 81 2HB PRO 11 1HB PRO 11 2.656 -9.354 -6.200 82 1HG PRO 11 2HG PRO 11 0.350 -11.253 -6.135 83 2HG PRO 11 1HG PRO 11 1.813 -11.223 -5.135 84 1HD PRO 11 2HD PRO 11 -0.539 -10.279 -4.231 85 2HD PRO 11 1HD PRO 11 1.011 -9.534 -3.771 86 H ASN 12 H ASN 12 -1.622 -9.457 -6.644 87 HA ASN 12 HA ASN 12 -1.930 -9.295 -9.599 88 1HB ASN 12 2HB ASN 12 -2.391 -11.355 -8.120 89 2HB ASN 12 1HB ASN 12 -3.818 -10.485 -7.554 90 1HD2 ASN 12 1HD2 ASN 12 -2.364 -12.062 -10.371 91 2HD2 ASN 12 2HD2 ASN 12 -3.771 -12.061 -11.320 92 H ASP 13 H ASP 13 -3.129 -7.921 -6.600 93 HA ASP 13 HA ASP 13 -4.705 -5.943 -8.182 94 1HB ASP 13 2HB ASP 13 -5.906 -8.077 -7.038 95 2HB ASP 13 1HB ASP 13 -5.890 -6.984 -5.654 96 H ASP 14 H ASP 14 -2.240 -5.367 -7.130 97 HA ASP 14 HA ASP 14 -1.849 -4.568 -4.516 98 1HB ASP 14 2HB ASP 14 -0.595 -2.608 -5.623 99 2HB ASP 14 1HB ASP 14 -0.153 -4.230 -6.158 100 H LYS 15 H LYS 15 -2.606 -2.923 -3.180 101 HA LYS 15 HA LYS 15 -4.700 -1.106 -4.333 102 1HB LYS 15 2HB LYS 15 -5.445 -3.042 -2.853 103 2HB LYS 15 1HB LYS 15 -4.588 -2.250 -1.529 104 1HG LYS 15 2HG LYS 15 -6.308 -0.839 -1.207 105 2HG LYS 15 1HG LYS 15 -6.230 -0.316 -2.890 106 1HD LYS 15 2HD LYS 15 -8.410 -1.228 -2.641 107 2HD LYS 15 1HD LYS 15 -7.482 -2.492 -3.450 108 1HE LYS 15 2HE LYS 15 -6.978 -3.278 -0.965 109 2HE LYS 15 1HE LYS 15 -8.482 -2.400 -0.622 110 1HZ LYS 15 1HZ LYS 15 -8.588 -4.857 -1.425 111 2HZ LYS 15 2HZ LYS 15 -8.341 -4.177 -2.962 112 3HZ LYS 15 3HZ LYS 15 -9.692 -3.724 -2.035 113 H CYS 16 H CYS 16 -1.700 -1.326 -2.724 114 HA CYS 16 HA CYS 16 -1.769 0.896 -0.945 115 1HB CYS 16 2HB CYS 16 0.039 -0.877 -1.281 116 2HB CYS 16 1HB CYS 16 0.553 0.033 -2.703 117 H CYS 17 H CYS 17 -0.995 3.096 -1.333 118 HA CYS 17 HA CYS 17 -2.118 4.448 -3.535 119 1HB CYS 17 2HB CYS 17 0.374 5.228 -1.985 120 2HB CYS 17 1HB CYS 17 -0.780 6.317 -2.752 121 H ARG 18 H ARG 18 -0.841 5.557 -5.350 122 HA ARG 18 HA ARG 18 1.276 3.677 -6.327 123 1HB ARG 18 2HB ARG 18 -1.162 4.406 -7.393 124 2HB ARG 18 1HB ARG 18 -0.030 5.436 -8.273 125 1HG ARG 18 2HG ARG 18 -0.265 3.328 -9.468 126 2HG ARG 18 1HG ARG 18 1.353 3.413 -8.769 127 1HD ARG 18 2HD ARG 18 0.542 2.058 -6.819 128 2HD ARG 18 1HD ARG 18 -1.021 1.883 -7.642 129 HE ARG 18 HE ARG 18 0.498 1.007 -9.613 130 1HH1 ARG 18 1HH1 ARG 18 -0.272 -0.571 -6.915 131 2HH1 ARG 18 2HH1 ARG 18 1.159 -1.538 -6.778 132 1HH2 ARG 18 1HH2 ARG 18 2.918 0.259 -9.166 133 2HH2 ARG 18 2HH2 ARG 18 2.966 -1.068 -8.052 134 HA PRO 19 HA PRO 19 2.963 8.110 -6.326 135 1HB PRO 19 2HB PRO 19 4.150 8.346 -3.876 136 2HB PRO 19 1HB PRO 19 2.480 8.866 -4.180 137 1HG PRO 19 2HG PRO 19 3.483 6.428 -2.826 138 2HG PRO 19 1HG PRO 19 2.030 7.386 -2.505 139 1HD PRO 19 2HD PRO 19 2.078 4.975 -3.866 140 2HD PRO 19 1HD PRO 19 0.780 6.185 -3.963 141 H LYS 20 H LYS 20 4.076 5.133 -4.839 142 HA LYS 20 HA LYS 20 6.196 4.540 -6.552 143 1HB LYS 20 2HB LYS 20 6.716 6.770 -4.734 144 2HB LYS 20 1HB LYS 20 7.901 5.477 -4.538 145 1HG LYS 20 2HG LYS 20 7.429 5.831 -7.339 146 2HG LYS 20 1HG LYS 20 7.748 7.415 -6.630 147 1HD LYS 20 2HD LYS 20 9.927 6.926 -6.297 148 2HD LYS 20 1HD LYS 20 9.533 5.371 -5.563 149 1HE LYS 20 2HE LYS 20 8.979 4.729 -8.103 150 2HE LYS 20 1HE LYS 20 10.171 6.006 -8.413 151 1HZ LYS 20 1HZ LYS 20 10.539 3.413 -7.185 152 2HZ LYS 20 2HZ LYS 20 11.267 4.692 -6.335 153 3HZ LYS 20 3HZ LYS 20 11.667 4.412 -7.961 154 H LEU 21 H LEU 21 4.305 3.152 -4.949 155 HA LEU 21 HA LEU 21 6.097 1.663 -3.052 156 1HB LEU 21 2HB LEU 21 3.096 2.021 -2.841 157 2HB LEU 21 1HB LEU 21 4.202 1.459 -1.588 158 HG LEU 21 HG LEU 21 4.366 4.219 -2.822 159 1HD1 LEU 21 1HD1 LEU 21 2.241 4.157 -1.724 160 2HD1 LEU 21 2HD1 LEU 21 3.351 4.916 -0.582 161 3HD1 LEU 21 3HD1 LEU 21 2.891 3.227 -0.374 162 1HD2 LEU 21 1HD2 LEU 21 5.657 2.797 -0.494 163 2HD2 LEU 21 2HD2 LEU 21 5.563 4.556 -0.543 164 3HD2 LEU 21 3HD2 LEU 21 6.431 3.686 -1.807 165 H LYS 22 H LYS 22 5.348 -0.644 -2.749 166 HA LYS 22 HA LYS 22 3.607 -1.800 -4.766 167 1HB LYS 22 2HB LYS 22 5.686 -1.404 -6.019 168 2HB LYS 22 1HB LYS 22 6.602 -2.267 -4.782 169 1HG LYS 22 2HG LYS 22 6.295 -3.994 -6.280 170 2HG LYS 22 1HG LYS 22 4.821 -4.180 -5.331 171 1HD LYS 22 2HD LYS 22 4.424 -2.200 -7.399 172 2HD LYS 22 1HD LYS 22 5.003 -3.711 -8.105 173 1HE LYS 22 2HE LYS 22 2.708 -3.576 -6.120 174 2HE LYS 22 1HE LYS 22 2.487 -3.611 -7.880 175 1HZ LYS 22 1HZ LYS 22 2.464 -5.855 -7.169 176 2HZ LYS 22 2HZ LYS 22 3.827 -5.639 -6.179 177 3HZ LYS 22 3HZ LYS 22 3.989 -5.604 -7.870 178 H CYS 23 H CYS 23 2.770 -3.718 -3.982 179 HA CYS 23 HA CYS 23 2.785 -4.601 -1.414 180 1HB CYS 23 2HB CYS 23 1.510 -5.589 -3.303 181 2HB CYS 23 1HB CYS 23 2.983 -6.371 -3.875 182 H SER 24 H SER 24 4.022 -5.994 -0.092 183 HA SER 24 HA SER 24 6.741 -6.759 -1.086 184 1HB SER 24 2HB SER 24 5.920 -4.825 0.953 185 2HB SER 24 1HB SER 24 7.034 -6.033 1.591 186 HG SER 24 HG SER 24 7.484 -4.712 -0.869 187 H LYS 25 H LYS 25 7.068 -8.898 -0.694 188 HA LYS 25 HA LYS 25 5.219 -10.561 0.729 189 1HB LYS 25 2HB LYS 25 7.584 -10.748 -0.894 190 2HB LYS 25 1HB LYS 25 7.770 -11.804 0.507 191 1HG LYS 25 2HG LYS 25 5.082 -12.019 -0.515 192 2HG LYS 25 1HG LYS 25 6.237 -12.299 -1.819 193 1HD LYS 25 2HD LYS 25 6.383 -14.407 -1.004 194 2HD LYS 25 1HD LYS 25 7.358 -13.696 0.282 195 1HE LYS 25 2HE LYS 25 4.974 -13.184 1.353 196 2HE LYS 25 1HE LYS 25 4.492 -14.563 0.345 197 1HZ LYS 25 1HZ LYS 25 6.442 -14.459 2.537 198 2HZ LYS 25 2HZ LYS 25 6.721 -15.542 1.258 199 3HZ LYS 25 3HZ LYS 25 5.295 -15.654 2.175 200 H LEU 26 H LEU 26 7.803 -8.580 1.873 201 HA LEU 26 HA LEU 26 8.977 -9.870 4.009 202 1HB LEU 26 2HB LEU 26 7.957 -7.130 3.453 203 2HB LEU 26 1HB LEU 26 8.390 -7.471 5.125 204 HG LEU 26 HG LEU 26 10.270 -6.560 3.667 205 1HD1 LEU 26 1HD1 LEU 26 10.294 -8.289 5.771 206 2HD1 LEU 26 2HD1 LEU 26 11.753 -7.634 5.029 207 3HD1 LEU 26 3HD1 LEU 26 11.171 -9.234 4.567 208 1HD2 LEU 26 1HD2 LEU 26 9.666 -7.925 1.659 209 2HD2 LEU 26 2HD2 LEU 26 10.149 -9.376 2.536 210 3HD2 LEU 26 3HD2 LEU 26 11.347 -8.142 2.143 211 H PHE 27 H PHE 27 5.799 -8.224 4.205 212 HA PHE 27 HA PHE 27 4.923 -10.279 6.195 213 1HB PHE 27 2HB PHE 27 4.956 -7.272 6.443 214 2HB PHE 27 1HB PHE 27 3.830 -8.256 7.378 215 HD1 PHE 27 1HD PHE 27 7.434 -7.819 6.594 216 HD2 PHE 27 2HD PHE 27 4.533 -9.371 9.336 217 HE1 PHE 27 1HE PHE 27 9.242 -8.338 8.193 218 HE2 PHE 27 2HE PHE 27 6.335 -9.895 10.947 219 HZ PHE 27 HZ PHE 27 8.697 -9.380 10.384 220 H LYS 28 H LYS 28 4.401 -8.984 3.274 221 HA LYS 28 HA LYS 28 2.520 -9.238 1.836 222 1HB LYS 28 2HB LYS 28 0.781 -9.446 4.300 223 2HB LYS 28 1HB LYS 28 0.491 -10.109 2.694 224 1HG LYS 28 2HG LYS 28 2.976 -11.159 3.673 225 2HG LYS 28 1HG LYS 28 1.737 -11.393 4.908 226 1HD LYS 28 2HD LYS 28 0.913 -11.990 2.119 227 2HD LYS 28 1HD LYS 28 2.090 -13.095 2.829 228 1HE LYS 28 2HE LYS 28 0.159 -12.623 4.848 229 2HE LYS 28 1HE LYS 28 -0.743 -12.933 3.350 230 1HZ LYS 28 1HZ LYS 28 0.198 -14.979 3.086 231 2HZ LYS 28 2HZ LYS 28 0.209 -14.906 4.783 232 3HZ LYS 28 3HZ LYS 28 1.624 -14.566 3.905 233 H LEU 29 H LEU 29 3.619 -6.770 3.037 234 HA LEU 29 HA LEU 29 1.155 -5.036 2.929 235 1HB LEU 29 2HB LEU 29 3.819 -4.562 4.325 236 2HB LEU 29 1HB LEU 29 2.461 -3.446 4.319 237 HG LEU 29 HG LEU 29 2.333 -4.632 6.387 238 1HD1 LEU 29 1HD1 LEU 29 0.202 -5.860 6.152 239 2HD1 LEU 29 2HD1 LEU 29 0.424 -5.905 4.403 240 3HD1 LEU 29 3HD1 LEU 29 0.183 -4.362 5.223 241 1HD2 LEU 29 1HD2 LEU 29 2.120 -7.313 5.151 242 2HD2 LEU 29 2HD2 LEU 29 2.865 -6.835 6.673 243 3HD2 LEU 29 3HD2 LEU 29 3.730 -6.597 5.154 244 H CYS 30 H CYS 30 1.815 -2.739 2.102 245 HA CYS 30 HA CYS 30 3.389 -3.148 -0.365 246 1HB CYS 30 2HB CYS 30 2.104 -1.407 -1.187 247 2HB CYS 30 1HB CYS 30 1.011 -2.072 0.010 248 H ASN 31 H ASN 31 5.439 -2.404 -0.562 249 HA ASN 31 HA ASN 31 6.465 -0.517 1.534 250 1HB ASN 31 2HB ASN 31 7.260 -3.016 1.068 251 2HB ASN 31 1HB ASN 31 8.212 -2.231 -0.193 252 1HD2 ASN 31 1HD2 ASN 31 10.287 -2.324 0.788 253 2HD2 ASN 31 2HD2 ASN 31 10.657 -1.571 2.264 254 H PHE 32 H PHE 32 8.946 -0.348 -0.237 255 HA PHE 32 HA PHE 32 7.857 1.692 -2.146 256 1HB PHE 32 2HB PHE 32 9.203 2.656 -0.411 257 2HB PHE 32 1HB PHE 32 10.449 1.432 -0.607 258 HD1 PHE 32 1HD PHE 32 8.875 4.423 -2.109 259 HD2 PHE 32 2HD PHE 32 12.086 1.580 -2.379 260 HE1 PHE 32 1HE PHE 32 10.013 5.865 -3.773 261 HE2 PHE 32 2HE PHE 32 13.223 3.023 -4.044 262 HZ PHE 32 HZ PHE 32 12.187 5.166 -4.740 263 H SER 33 H SER 33 9.463 2.032 -4.015 264 HA SER 33 HA SER 33 10.473 -0.623 -4.993 265 1HB SER 33 2HB SER 33 8.677 -0.343 -6.390 266 2HB SER 33 1HB SER 33 8.603 1.393 -6.101 267 HG SER 33 HG SER 33 9.336 0.550 -8.262 268 H PHE 34 H PHE 34 12.696 -0.405 -4.970 269 HA PHE 34 HA PHE 34 13.904 2.224 -5.685 270 1HB PHE 34 2HB PHE 34 15.860 1.334 -4.606 271 2HB PHE 34 1HB PHE 34 14.485 0.865 -3.606 272 HD1 PHE 34 1HD PHE 34 16.924 -0.317 -6.145 273 HD2 PHE 34 2HD PHE 34 13.835 -1.436 -3.351 274 HE1 PHE 34 1HE PHE 34 17.545 -2.714 -6.416 275 HE2 PHE 34 2HE PHE 34 14.455 -3.832 -3.625 276 HZ PHE 34 HZ PHE 34 16.309 -4.471 -5.157 277 1HN NH2 35 1HN NH2 35 15.465 2.478 -7.461 278 2HN NH2 35 2HN NH2 35 15.619 1.230 -8.726 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -8.573 6.104 -3.002 2 2H GLY 1 2HT GLY 1 -9.552 7.373 -2.443 3 3H GLY 1 3HT GLY 1 -10.068 5.763 -2.280 4 1HA GLY 1 2HA GLY 1 -7.982 7.207 -0.777 5 2HA GLY 1 1HA GLY 1 -9.333 6.256 -0.158 6 H CYS 2 H CYS 2 -6.226 5.982 -1.870 7 HA CYS 2 HA CYS 2 -6.049 3.137 -1.911 8 1HB CYS 2 2HB CYS 2 -3.587 3.654 -2.058 9 2HB CYS 2 1HB CYS 2 -4.573 4.591 -3.178 10 H LEU 3 H LEU 3 -3.858 2.335 -0.537 11 HA LEU 3 HA LEU 3 -4.810 2.341 2.257 12 1HB LEU 3 2HB LEU 3 -2.656 0.861 0.719 13 2HB LEU 3 1HB LEU 3 -3.022 0.564 2.416 14 HG LEU 3 HG LEU 3 -5.353 0.548 0.588 15 1HD1 LEU 3 1HD1 LEU 3 -4.767 -1.901 0.030 16 2HD1 LEU 3 2HD1 LEU 3 -3.110 -1.470 0.447 17 3HD1 LEU 3 3HD1 LEU 3 -3.927 -0.649 -0.883 18 1HD2 LEU 3 1HD2 LEU 3 -5.978 -0.150 2.689 19 2HD2 LEU 3 2HD2 LEU 3 -4.377 -0.786 3.067 20 3HD2 LEU 3 3HD2 LEU 3 -5.476 -1.715 2.050 21 H GLU 4 H GLU 4 -1.411 1.918 1.847 22 HA GLU 4 HA GLU 4 -0.663 4.704 2.358 23 1HB GLU 4 2HB GLU 4 -1.657 3.273 4.475 24 2HB GLU 4 1HB GLU 4 0.075 2.961 4.620 25 1HG GLU 4 2HG GLU 4 0.291 5.550 4.230 26 2HG GLU 4 1HG GLU 4 -1.393 5.579 4.756 27 H PHE 5 H PHE 5 1.734 4.216 3.677 28 HA PHE 5 HA PHE 5 3.358 3.179 1.490 29 1HB PHE 5 2HB PHE 5 4.475 4.909 2.461 30 2HB PHE 5 1HB PHE 5 3.606 4.727 3.980 31 HD1 PHE 5 1HD PHE 5 4.309 2.802 5.544 32 HD2 PHE 5 2HD PHE 5 6.707 4.168 2.252 33 HE1 PHE 5 1HE PHE 5 6.308 1.748 6.564 34 HE2 PHE 5 2HE PHE 5 8.706 3.112 3.272 35 HZ PHE 5 HZ PHE 5 8.507 1.903 5.428 36 H TRP 6 H TRP 6 1.804 1.629 4.088 37 HA TRP 6 HA TRP 6 3.402 -0.813 3.639 38 1HB TRP 6 2HB TRP 6 4.704 0.588 5.240 39 2HB TRP 6 1HB TRP 6 3.316 0.617 6.324 40 HD1 TRP 6 HD TRP 6 3.582 -1.038 8.214 41 HE1 TRP 6 1HE TRP 6 4.644 -3.369 8.505 42 HE3 TRP 6 3HE TRP 6 5.320 -1.809 3.480 43 HZ2 TRP 6 2HZ TRP 6 6.050 -5.304 6.934 44 HZ3 TRP 6 3HZ TRP 6 6.516 -3.901 2.900 45 HH2 TRP 6 HH TRP 6 6.882 -5.650 4.621 46 H TRP 7 H TRP 7 0.759 -0.662 3.071 47 HA TRP 7 HA TRP 7 -0.635 -1.877 5.436 48 1HB TRP 7 2HB TRP 7 -1.435 -0.123 3.139 49 2HB TRP 7 1HB TRP 7 -2.644 -1.213 3.819 50 HD1 TRP 7 HD TRP 7 -0.232 -0.220 6.414 51 HE1 TRP 7 1HE TRP 7 -1.230 1.600 7.944 52 HE3 TRP 7 3HE TRP 7 -4.313 1.111 3.653 53 HZ2 TRP 7 2HZ TRP 7 -3.465 3.383 7.990 54 HZ3 TRP 7 3HZ TRP 7 -5.858 2.870 4.461 55 HH2 TRP 7 HH TRP 7 -5.439 4.007 6.624 56 H LYS 8 H LYS 8 -2.318 -3.588 4.677 57 HA LYS 8 HA LYS 8 -1.183 -5.812 3.525 58 1HB LYS 8 2HB LYS 8 -3.668 -6.137 2.609 59 2HB LYS 8 1HB LYS 8 -3.304 -6.213 4.323 60 1HG LYS 8 2HG LYS 8 -3.804 -3.481 3.361 61 2HG LYS 8 1HG LYS 8 -5.187 -4.558 3.160 62 1HD LYS 8 2HD LYS 8 -3.899 -4.928 5.749 63 2HD LYS 8 1HD LYS 8 -4.446 -3.266 5.519 64 1HE LYS 8 2HE LYS 8 -6.406 -5.263 4.601 65 2HE LYS 8 1HE LYS 8 -6.074 -5.335 6.343 66 1HZ LYS 8 1HZ LYS 8 -6.367 -2.713 5.056 67 2HZ LYS 8 2HZ LYS 8 -6.700 -3.171 6.658 68 3HZ LYS 8 3HZ LYS 8 -7.767 -3.601 5.409 69 H CYS 9 H CYS 9 -1.206 -6.738 1.393 70 HA CYS 9 HA CYS 9 -1.901 -5.032 -0.909 71 1HB CYS 9 2HB CYS 9 0.406 -4.832 -1.690 72 2HB CYS 9 1HB CYS 9 0.295 -4.189 -0.050 73 H ASN 10 H ASN 10 -0.833 -6.208 -2.971 74 HA ASN 10 HA ASN 10 -0.599 -9.125 -2.706 75 1HB ASN 10 2HB ASN 10 -3.118 -8.041 -2.798 76 2HB ASN 10 1HB ASN 10 -2.801 -8.327 -4.511 77 1HD2 ASN 10 1HD2 ASN 10 -3.002 -10.465 -5.250 78 2HD2 ASN 10 2HD2 ASN 10 -3.190 -11.815 -4.237 79 HA PRO 11 HA PRO 11 1.858 -7.944 -6.252 80 1HB PRO 11 2HB PRO 11 2.760 -10.475 -6.815 81 2HB PRO 11 1HB PRO 11 3.430 -9.470 -5.514 82 1HG PRO 11 2HG PRO 11 1.413 -11.666 -5.356 83 2HG PRO 11 1HG PRO 11 2.791 -11.325 -4.296 84 1HD PRO 11 2HD PRO 11 0.275 -10.647 -3.615 85 2HD PRO 11 1HD PRO 11 1.676 -9.654 -3.152 86 H ASN 12 H ASN 12 -0.835 -7.992 -6.814 87 HA ASN 12 HA ASN 12 -0.914 -9.125 -9.512 88 1HB ASN 12 2HB ASN 12 -1.511 -11.014 -7.947 89 2HB ASN 12 1HB ASN 12 -2.878 -10.051 -7.386 90 1HD2 ASN 12 1HD2 ASN 12 -1.613 -11.889 -10.133 91 2HD2 ASN 12 2HD2 ASN 12 -3.058 -11.890 -11.025 92 H ASP 13 H ASP 13 -2.711 -7.699 -6.809 93 HA ASP 13 HA ASP 13 -3.748 -5.576 -8.605 94 1HB ASP 13 2HB ASP 13 -5.218 -7.867 -7.855 95 2HB ASP 13 1HB ASP 13 -5.826 -6.565 -6.830 96 H ASP 14 H ASP 14 -1.762 -5.298 -6.721 97 HA ASP 14 HA ASP 14 -2.462 -4.734 -4.047 98 1HB ASP 14 2HB ASP 14 -0.406 -3.397 -4.093 99 2HB ASP 14 1HB ASP 14 -0.184 -4.855 -5.061 100 H LYS 15 H LYS 15 -3.353 -2.933 -3.031 101 HA LYS 15 HA LYS 15 -4.528 -0.844 -4.822 102 1HB LYS 15 2HB LYS 15 -6.119 -2.149 -3.525 103 2HB LYS 15 1HB LYS 15 -5.205 -1.860 -2.044 104 1HG LYS 15 2HG LYS 15 -5.701 0.512 -2.130 105 2HG LYS 15 1HG LYS 15 -6.467 0.335 -3.709 106 1HD LYS 15 2HD LYS 15 -7.423 -0.928 -1.122 107 2HD LYS 15 1HD LYS 15 -8.176 0.437 -1.948 108 1HE LYS 15 2HE LYS 15 -7.974 -1.486 -3.953 109 2HE LYS 15 1HE LYS 15 -8.434 -2.419 -2.516 110 1HZ LYS 15 1HZ LYS 15 -10.314 -1.157 -2.178 111 2HZ LYS 15 2HZ LYS 15 -10.263 -1.209 -3.875 112 3HZ LYS 15 3HZ LYS 15 -9.723 0.174 -3.049 113 H CYS 16 H CYS 16 -1.930 -1.320 -2.752 114 HA CYS 16 HA CYS 16 -1.709 0.818 -1.011 115 1HB CYS 16 2HB CYS 16 0.008 -0.944 -1.533 116 2HB CYS 16 1HB CYS 16 0.395 -0.074 -3.018 117 H CYS 17 H CYS 17 -1.129 3.048 -1.226 118 HA CYS 17 HA CYS 17 -2.239 4.561 -3.304 119 1HB CYS 17 2HB CYS 17 0.183 5.130 -1.559 120 2HB CYS 17 1HB CYS 17 -0.774 6.350 -2.397 121 H ARG 18 H ARG 18 -0.596 6.119 -4.681 122 HA ARG 18 HA ARG 18 1.138 4.203 -6.188 123 1HB ARG 18 2HB ARG 18 -0.931 6.000 -6.892 124 2HB ARG 18 1HB ARG 18 0.562 6.636 -7.588 125 1HG ARG 18 2HG ARG 18 -0.535 5.026 -9.111 126 2HG ARG 18 1HG ARG 18 1.051 4.458 -8.587 127 1HD ARG 18 2HD ARG 18 0.062 2.564 -7.820 128 2HD ARG 18 1HD ARG 18 -0.819 3.554 -6.640 129 HE ARG 18 HE ARG 18 -1.894 3.461 -9.404 130 1HH1 ARG 18 1HH2 ARG 18 -2.461 0.832 -8.266 131 2HH1 ARG 18 2HH2 ARG 18 -3.925 1.081 -7.376 132 1HH2 ARG 18 1HH1 ARG 18 -3.613 4.533 -7.311 133 2HH2 ARG 18 2HH1 ARG 18 -4.577 3.175 -6.834 134 HA PRO 19 HA PRO 19 3.747 7.958 -4.946 135 1HB PRO 19 2HB PRO 19 4.598 7.494 -2.385 136 2HB PRO 19 1HB PRO 19 3.154 8.459 -2.749 137 1HG PRO 19 2HG PRO 19 3.371 5.665 -1.797 138 2HG PRO 19 1HG PRO 19 2.143 6.887 -1.443 139 1HD PRO 19 2HD PRO 19 1.834 4.800 -3.232 140 2HD PRO 19 1HD PRO 19 0.880 6.298 -3.226 141 H LYS 20 H LYS 20 4.339 5.723 -6.370 142 HA LYS 20 HA LYS 20 6.125 4.309 -6.983 143 1HB LYS 20 2HB LYS 20 7.264 6.328 -5.081 144 2HB LYS 20 1HB LYS 20 8.276 4.961 -5.545 145 1HG LYS 20 2HG LYS 20 8.390 5.615 -7.757 146 2HG LYS 20 1HG LYS 20 6.819 6.417 -7.710 147 1HD LYS 20 2HD LYS 20 7.690 8.379 -6.890 148 2HD LYS 20 1HD LYS 20 8.956 7.557 -5.979 149 1HE LYS 20 2HE LYS 20 10.396 8.126 -7.637 150 2HE LYS 20 1HE LYS 20 9.505 7.021 -8.702 151 1HZ LYS 20 1HZ LYS 20 8.631 9.798 -8.117 152 2HZ LYS 20 2HZ LYS 20 7.994 8.738 -9.284 153 3HZ LYS 20 3HZ LYS 20 9.555 9.381 -9.478 154 H LEU 21 H LEU 21 4.294 3.117 -5.284 155 HA LEU 21 HA LEU 21 6.021 1.645 -3.326 156 1HB LEU 21 2HB LEU 21 3.067 2.286 -3.284 157 2HB LEU 21 1HB LEU 21 3.883 1.293 -2.085 158 HG LEU 21 HG LEU 21 4.360 4.225 -2.668 159 1HD1 LEU 21 1HD1 LEU 21 3.911 4.297 -0.150 160 2HD1 LEU 21 2HD1 LEU 21 3.370 2.624 -0.296 161 3HD1 LEU 21 3HD1 LEU 21 2.524 3.903 -1.167 162 1HD2 LEU 21 1HD2 LEU 21 6.061 2.150 -1.348 163 2HD2 LEU 21 2HD2 LEU 21 5.981 3.740 -0.588 164 3HD2 LEU 21 3HD2 LEU 21 6.544 3.585 -2.253 165 H LYS 22 H LYS 22 5.202 -0.621 -2.932 166 HA LYS 22 HA LYS 22 3.563 -1.880 -4.967 167 1HB LYS 22 2HB LYS 22 5.989 -1.395 -5.850 168 2HB LYS 22 1HB LYS 22 6.430 -2.778 -4.847 169 1HG LYS 22 2HG LYS 22 4.766 -4.170 -6.020 170 2HG LYS 22 1HG LYS 22 4.312 -2.788 -7.018 171 1HD LYS 22 2HD LYS 22 5.924 -3.420 -8.461 172 2HD LYS 22 1HD LYS 22 7.099 -2.929 -7.241 173 1HE LYS 22 2HE LYS 22 7.690 -5.180 -7.657 174 2HE LYS 22 1HE LYS 22 6.643 -5.319 -6.230 175 1HZ LYS 22 1HZ LYS 22 4.750 -5.664 -7.686 176 2HZ LYS 22 2HZ LYS 22 5.939 -6.838 -7.990 177 3HZ LYS 22 3HZ LYS 22 5.741 -5.528 -9.055 178 H CYS 23 H CYS 23 2.722 -3.813 -4.142 179 HA CYS 23 HA CYS 23 2.715 -4.526 -1.491 180 1HB CYS 23 2HB CYS 23 1.394 -5.578 -3.341 181 2HB CYS 23 1HB CYS 23 2.840 -6.452 -3.839 182 H SER 24 H SER 24 3.953 -5.916 -0.141 183 HA SER 24 HA SER 24 6.643 -6.722 -1.173 184 1HB SER 24 2HB SER 24 5.844 -4.807 0.919 185 2HB SER 24 1HB SER 24 7.068 -5.961 1.441 186 HG SER 24 HG SER 24 8.388 -4.708 0.393 187 H LYS 25 H LYS 25 6.840 -8.880 -0.856 188 HA LYS 25 HA LYS 25 5.088 -10.489 0.733 189 1HB LYS 25 2HB LYS 25 7.445 -10.725 -0.967 190 2HB LYS 25 1HB LYS 25 7.518 -11.852 0.388 191 1HG LYS 25 2HG LYS 25 5.507 -12.915 -0.227 192 2HG LYS 25 1HG LYS 25 5.001 -11.566 -1.247 193 1HD LYS 25 2HD LYS 25 6.709 -12.077 -2.882 194 2HD LYS 25 1HD LYS 25 7.421 -13.295 -1.825 195 1HE LYS 25 2HE LYS 25 6.116 -14.620 -3.262 196 2HE LYS 25 1HE LYS 25 4.988 -14.349 -1.919 197 1HZ LYS 25 1HZ LYS 25 3.997 -13.792 -4.084 198 2HZ LYS 25 2HZ LYS 25 5.206 -12.624 -4.329 199 3HZ LYS 25 3HZ LYS 25 4.091 -12.443 -3.060 200 H LEU 26 H LEU 26 7.912 -8.632 1.538 201 HA LEU 26 HA LEU 26 9.120 -9.876 3.680 202 1HB LEU 26 2HB LEU 26 8.274 -7.059 3.077 203 2HB LEU 26 1HB LEU 26 9.022 -7.404 4.637 204 HG LEU 26 HG LEU 26 10.324 -8.502 2.179 205 1HD1 LEU 26 1HD1 LEU 26 10.515 -5.617 3.099 206 2HD1 LEU 26 2HD1 LEU 26 9.877 -6.179 1.553 207 3HD1 LEU 26 3HD1 LEU 26 11.591 -6.373 1.923 208 1HD2 LEU 26 1HD2 LEU 26 12.090 -8.755 3.592 209 2HD2 LEU 26 2HD2 LEU 26 10.898 -8.514 4.869 210 3HD2 LEU 26 3HD2 LEU 26 11.869 -7.155 4.300 211 H PHE 27 H PHE 27 5.960 -8.230 3.718 212 HA PHE 27 HA PHE 27 5.209 -9.806 6.116 213 1HB PHE 27 2HB PHE 27 5.493 -6.813 5.938 214 2HB PHE 27 1HB PHE 27 4.416 -7.566 7.119 215 HD1 PHE 27 1HD PHE 27 7.755 -6.538 6.474 216 HD2 PHE 27 2HD PHE 27 5.450 -9.525 8.524 217 HE1 PHE 27 1HE PHE 27 9.698 -7.040 7.927 218 HE2 PHE 27 2HE PHE 27 7.390 -10.027 9.980 219 HZ PHE 27 HZ PHE 27 9.518 -8.783 9.683 220 H LYS 28 H LYS 28 4.426 -9.102 3.123 221 HA LYS 28 HA LYS 28 2.365 -9.292 1.965 222 1HB LYS 28 2HB LYS 28 0.964 -9.219 4.636 223 2HB LYS 28 1HB LYS 28 0.518 -10.108 3.183 224 1HG LYS 28 2HG LYS 28 3.126 -10.982 4.011 225 2HG LYS 28 1HG LYS 28 2.046 -11.041 5.402 226 1HD LYS 28 2HD LYS 28 0.935 -12.050 2.838 227 2HD LYS 28 1HD LYS 28 2.203 -13.030 3.573 228 1HE LYS 28 2HE LYS 28 0.820 -13.738 5.233 229 2HE LYS 28 1HE LYS 28 0.208 -12.097 5.522 230 1HZ LYS 28 1HZ LYS 28 -0.515 -13.689 3.127 231 2HZ LYS 28 2HZ LYS 28 -1.238 -12.254 3.681 232 3HZ LYS 28 3HZ LYS 28 -1.445 -13.703 4.546 233 H LEU 29 H LEU 29 3.623 -6.737 3.071 234 HA LEU 29 HA LEU 29 1.160 -5.018 2.894 235 1HB LEU 29 2HB LEU 29 3.758 -4.296 4.269 236 2HB LEU 29 1HB LEU 29 2.175 -3.551 4.476 237 HG LEU 29 HG LEU 29 2.873 -6.396 5.259 238 1HD1 LEU 29 1HD1 LEU 29 3.827 -5.267 7.007 239 2HD1 LEU 29 2HD1 LEU 29 2.154 -5.140 7.549 240 3HD1 LEU 29 3HD1 LEU 29 2.907 -3.797 6.690 241 1HD2 LEU 29 1HD2 LEU 29 0.503 -5.983 4.531 242 2HD2 LEU 29 2HD2 LEU 29 0.374 -4.766 5.800 243 3HD2 LEU 29 3HD2 LEU 29 0.645 -6.456 6.224 244 H CYS 30 H CYS 30 1.762 -2.762 1.997 245 HA CYS 30 HA CYS 30 3.425 -3.204 -0.403 246 1HB CYS 30 2HB CYS 30 2.082 -1.579 -1.328 247 2HB CYS 30 1HB CYS 30 0.999 -2.205 -0.100 248 H ASN 31 H ASN 31 5.384 -2.276 -0.735 249 HA ASN 31 HA ASN 31 6.209 0.119 0.792 250 1HB ASN 31 2HB ASN 31 6.770 -1.552 2.380 251 2HB ASN 31 1HB ASN 31 7.343 -2.651 1.133 252 1HD2 ASN 31 1HD2 ASN 31 8.290 -0.103 3.286 253 2HD2 ASN 31 2HD2 ASN 31 9.891 0.042 2.741 254 H PHE 32 H PHE 32 8.520 0.674 0.161 255 HA PHE 32 HA PHE 32 9.977 -0.318 -1.995 256 1HB PHE 32 2HB PHE 32 7.418 0.699 -2.759 257 2HB PHE 32 1HB PHE 32 8.658 1.735 -3.457 258 HD1 PHE 32 1HD PHE 32 9.065 -1.866 -2.655 259 HD2 PHE 32 2HD PHE 32 8.486 1.050 -5.754 260 HE1 PHE 32 1HE PHE 32 9.541 -3.594 -4.370 261 HE2 PHE 32 2HE PHE 32 8.963 -0.677 -7.469 262 HZ PHE 32 HZ PHE 32 9.488 -3.000 -6.776 263 H SER 33 H SER 33 8.622 2.961 -1.891 264 HA SER 33 HA SER 33 9.777 5.034 -1.723 265 1HB SER 33 2HB SER 33 9.317 4.296 0.586 266 2HB SER 33 1HB SER 33 10.836 3.406 0.611 267 HG SER 33 HG SER 33 11.687 5.637 -0.043 268 H PHE 34 H PHE 34 11.170 2.979 -3.397 269 HA PHE 34 HA PHE 34 13.894 4.173 -3.229 270 1HB PHE 34 2HB PHE 34 13.277 1.699 -2.158 271 2HB PHE 34 1HB PHE 34 13.874 1.282 -3.765 272 HD1 PHE 34 1HD PHE 34 14.729 2.646 -0.475 273 HD2 PHE 34 2HD PHE 34 16.146 1.974 -4.493 274 HE1 PHE 34 1HE PHE 34 17.066 3.056 0.281 275 HE2 PHE 34 2HE PHE 34 18.481 2.388 -3.738 276 HZ PHE 34 HZ PHE 34 18.941 2.927 -1.352 277 1HN NH2 35 1HN NH2 35 13.025 5.365 -5.236 278 2HN NH2 35 2HN NH2 35 13.016 4.480 -6.784 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -6.388 7.334 -1.558 2 2H GLY 1 2HT GLY 1 -7.267 7.702 -0.151 3 3H GLY 1 3HT GLY 1 -7.811 8.250 -1.664 4 1HA GLY 1 2HA GLY 1 -8.951 6.218 -0.623 5 2HA GLY 1 1HA GLY 1 -8.525 6.174 -2.335 6 H CYS 2 H CYS 2 -5.845 5.667 -2.331 7 HA CYS 2 HA CYS 2 -5.639 2.890 -1.911 8 1HB CYS 2 2HB CYS 2 -3.156 3.418 -2.023 9 2HB CYS 2 1HB CYS 2 -4.120 4.060 -3.346 10 H LEU 3 H LEU 3 -3.428 2.320 -0.414 11 HA LEU 3 HA LEU 3 -4.422 2.776 2.353 12 1HB LEU 3 2HB LEU 3 -2.565 0.786 1.024 13 2HB LEU 3 1HB LEU 3 -2.890 0.797 2.753 14 HG LEU 3 HG LEU 3 -5.417 0.837 1.919 15 1HD1 LEU 3 1HD1 LEU 3 -5.464 -0.803 -0.091 16 2HD1 LEU 3 2HD1 LEU 3 -3.811 -0.264 -0.385 17 3HD1 LEU 3 3HD1 LEU 3 -5.138 0.897 -0.423 18 1HD2 LEU 3 1HD2 LEU 3 -4.839 -0.936 3.314 19 2HD2 LEU 3 2HD2 LEU 3 -3.495 -1.438 2.287 20 3HD2 LEU 3 3HD2 LEU 3 -5.153 -1.790 1.804 21 H GLU 4 H GLU 4 -1.948 2.118 3.635 22 HA GLU 4 HA GLU 4 -0.584 4.736 3.450 23 1HB GLU 4 2HB GLU 4 -1.379 3.092 5.486 24 2HB GLU 4 1HB GLU 4 0.328 2.671 5.353 25 1HG GLU 4 2HG GLU 4 0.145 4.513 6.909 26 2HG GLU 4 1HG GLU 4 0.864 5.132 5.422 27 H PHE 5 H PHE 5 1.940 4.032 4.328 28 HA PHE 5 HA PHE 5 3.177 3.069 1.846 29 1HB PHE 5 2HB PHE 5 4.172 4.951 2.882 30 2HB PHE 5 1HB PHE 5 4.076 4.223 4.485 31 HD1 PHE 5 1HD PHE 5 5.537 3.399 1.120 32 HD2 PHE 5 2HD PHE 5 6.058 3.417 5.384 33 HE1 PHE 5 1HE PHE 5 7.823 2.480 0.844 34 HE2 PHE 5 2HE PHE 5 8.346 2.497 5.108 35 HZ PHE 5 HZ PHE 5 9.227 2.028 2.837 36 H TRP 6 H TRP 6 1.886 1.422 4.413 37 HA TRP 6 HA TRP 6 3.520 -0.966 3.865 38 1HB TRP 6 2HB TRP 6 4.809 0.432 5.500 39 2HB TRP 6 1HB TRP 6 3.440 0.350 6.607 40 HD1 TRP 6 HD TRP 6 3.450 -1.591 8.246 41 HE1 TRP 6 1HE TRP 6 4.711 -3.834 8.433 42 HE3 TRP 6 3HE TRP 6 5.945 -1.555 3.805 43 HZ2 TRP 6 2HZ TRP 6 6.544 -5.405 6.894 44 HZ3 TRP 6 3HZ TRP 6 7.447 -3.432 3.184 45 HH2 TRP 6 HH TRP 6 7.748 -5.356 4.722 46 H TRP 7 H TRP 7 0.826 -0.728 3.375 47 HA TRP 7 HA TRP 7 -0.533 -2.023 5.714 48 1HB TRP 7 2HB TRP 7 -1.352 -0.277 3.413 49 2HB TRP 7 1HB TRP 7 -2.551 -1.360 4.120 50 HD1 TRP 7 HD TRP 7 -0.015 -0.217 6.580 51 HE1 TRP 7 1HE TRP 7 -1.023 1.575 8.137 52 HE3 TRP 7 3HE TRP 7 -4.345 0.787 4.071 53 HZ2 TRP 7 2HZ TRP 7 -3.364 3.217 8.296 54 HZ3 TRP 7 3HZ TRP 7 -5.946 2.465 4.948 55 HH2 TRP 7 HH TRP 7 -5.460 3.682 7.053 56 H LYS 8 H LYS 8 -2.317 -3.663 4.836 57 HA LYS 8 HA LYS 8 -1.128 -5.899 3.669 58 1HB LYS 8 2HB LYS 8 -3.965 -5.054 3.061 59 2HB LYS 8 1HB LYS 8 -3.352 -6.683 3.298 60 1HG LYS 8 2HG LYS 8 -3.816 -4.550 5.383 61 2HG LYS 8 1HG LYS 8 -4.471 -6.185 5.323 62 1HD LYS 8 2HD LYS 8 -1.679 -6.517 5.288 63 2HD LYS 8 1HD LYS 8 -1.981 -5.265 6.490 64 1HE LYS 8 2HE LYS 8 -3.385 -7.961 6.398 65 2HE LYS 8 1HE LYS 8 -2.082 -7.522 7.519 66 1HZ LYS 8 1HZ LYS 8 -3.434 -5.611 8.227 67 2HZ LYS 8 2HZ LYS 8 -4.199 -7.091 8.560 68 3HZ LYS 8 3HZ LYS 8 -4.704 -6.148 7.239 69 H CYS 9 H CYS 9 -1.212 -6.735 1.449 70 HA CYS 9 HA CYS 9 -1.835 -4.813 -0.711 71 1HB CYS 9 2HB CYS 9 0.440 -4.633 -1.467 72 2HB CYS 9 1HB CYS 9 0.456 -4.300 0.264 73 H ASN 10 H ASN 10 -1.163 -5.849 -2.897 74 HA ASN 10 HA ASN 10 -0.982 -8.784 -2.919 75 1HB ASN 10 2HB ASN 10 -3.471 -7.272 -3.049 76 2HB ASN 10 1HB ASN 10 -3.243 -8.265 -4.487 77 1HD2 ASN 10 1HD2 ASN 10 -2.387 -10.628 -3.864 78 2HD2 ASN 10 2HD2 ASN 10 -3.180 -11.356 -2.551 79 HA PRO 11 HA PRO 11 1.167 -7.304 -6.551 80 1HB PRO 11 2HB PRO 11 1.913 -9.795 -7.448 81 2HB PRO 11 1HB PRO 11 2.758 -8.932 -6.147 82 1HG PRO 11 2HG PRO 11 0.682 -11.073 -5.953 83 2HG PRO 11 1HG PRO 11 2.189 -10.883 -5.039 84 1HD PRO 11 2HD PRO 11 -0.179 -10.190 -3.983 85 2HD PRO 11 1HD PRO 11 1.298 -9.257 -3.644 86 H ASN 12 H ASN 12 -1.326 -9.796 -6.487 87 HA ASN 12 HA ASN 12 -1.860 -9.611 -9.379 88 1HB ASN 12 2HB ASN 12 -2.101 -11.627 -7.750 89 2HB ASN 12 1HB ASN 12 -3.606 -10.854 -7.251 90 1HD2 ASN 12 1HD2 ASN 12 -1.998 -11.395 -10.449 91 2HD2 ASN 12 2HD2 ASN 12 -3.382 -12.034 -11.195 92 H ASP 13 H ASP 13 -2.833 -8.038 -6.460 93 HA ASP 13 HA ASP 13 -4.775 -6.373 -7.988 94 1HB ASP 13 2HB ASP 13 -5.801 -8.389 -6.708 95 2HB ASP 13 1HB ASP 13 -5.405 -7.483 -5.248 96 H ASP 14 H ASP 14 -2.262 -5.515 -7.349 97 HA ASP 14 HA ASP 14 -1.650 -4.433 -4.855 98 1HB ASP 14 2HB ASP 14 -0.095 -4.292 -6.641 99 2HB ASP 14 1HB ASP 14 -1.255 -3.480 -7.694 100 H LYS 15 H LYS 15 -2.469 -2.783 -3.609 101 HA LYS 15 HA LYS 15 -4.481 -0.945 -4.861 102 1HB LYS 15 2HB LYS 15 -5.352 -2.853 -3.387 103 2HB LYS 15 1HB LYS 15 -4.569 -2.031 -2.037 104 1HG LYS 15 2HG LYS 15 -6.102 -0.333 -2.005 105 2HG LYS 15 1HG LYS 15 -6.270 -0.318 -3.762 106 1HD LYS 15 2HD LYS 15 -7.606 -2.403 -3.640 107 2HD LYS 15 1HD LYS 15 -7.469 -2.377 -1.883 108 1HE LYS 15 2HE LYS 15 -8.859 -0.490 -1.675 109 2HE LYS 15 1HE LYS 15 -8.579 0.015 -3.353 110 1HZ LYS 15 1HZ LYS 15 -10.246 -2.190 -2.339 111 2HZ LYS 15 2HZ LYS 15 -9.561 -2.303 -3.890 112 3HZ LYS 15 3HZ LYS 15 -10.616 -1.025 -3.514 113 H CYS 16 H CYS 16 -1.902 -1.399 -2.483 114 HA CYS 16 HA CYS 16 -1.916 0.943 -1.004 115 1HB CYS 16 2HB CYS 16 -0.197 -0.945 -1.044 116 2HB CYS 16 1HB CYS 16 0.536 -0.137 -2.431 117 H CYS 17 H CYS 17 -1.112 3.104 -1.368 118 HA CYS 17 HA CYS 17 -1.822 4.422 -3.716 119 1HB CYS 17 2HB CYS 17 0.562 5.028 -1.930 120 2HB CYS 17 1HB CYS 17 -0.332 6.192 -2.905 121 H ARG 18 H ARG 18 -0.558 5.092 -5.620 122 HA ARG 18 HA ARG 18 1.708 3.212 -6.170 123 1HB ARG 18 2HB ARG 18 0.981 3.694 -8.581 124 2HB ARG 18 1HB ARG 18 -0.139 2.765 -7.584 125 1HG ARG 18 2HG ARG 18 -0.489 5.684 -7.395 126 2HG ARG 18 1HG ARG 18 -0.826 5.014 -8.991 127 1HD ARG 18 2HD ARG 18 -2.248 3.244 -7.785 128 2HD ARG 18 1HD ARG 18 -2.134 4.295 -6.359 129 HE ARG 18 HE ARG 18 -2.867 5.778 -8.747 130 1HH1 ARG 18 1HH1 ARG 18 -4.908 3.608 -8.686 131 2HH1 ARG 18 2HH1 ARG 18 -6.122 4.269 -7.642 132 1HH2 ARG 18 1HH2 ARG 18 -4.039 6.703 -6.319 133 2HH2 ARG 18 2HH2 ARG 18 -5.631 6.021 -6.303 134 HA PRO 19 HA PRO 19 2.982 7.732 -7.194 135 1HB PRO 19 2HB PRO 19 3.627 8.921 -4.813 136 2HB PRO 19 1HB PRO 19 2.036 9.104 -5.582 137 1HG PRO 19 2HG PRO 19 2.859 7.346 -3.329 138 2HG PRO 19 1HG PRO 19 1.354 8.246 -3.570 139 1HD PRO 19 2HD PRO 19 1.601 5.570 -4.011 140 2HD PRO 19 1HD PRO 19 0.421 6.597 -4.848 141 H LYS 20 H LYS 20 3.953 5.365 -4.840 142 HA LYS 20 HA LYS 20 6.559 4.991 -5.937 143 1HB LYS 20 2HB LYS 20 6.950 7.227 -5.034 144 2HB LYS 20 1HB LYS 20 6.340 6.726 -3.456 145 1HG LYS 20 2HG LYS 20 8.236 5.540 -2.943 146 2HG LYS 20 1HG LYS 20 8.549 5.113 -4.625 147 1HD LYS 20 2HD LYS 20 10.152 6.712 -4.561 148 2HD LYS 20 1HD LYS 20 8.819 7.863 -4.644 149 1HE LYS 20 2HE LYS 20 9.060 7.013 -1.921 150 2HE LYS 20 1HE LYS 20 10.667 7.499 -2.497 151 1HZ LYS 20 1HZ LYS 20 8.918 9.281 -1.701 152 2HZ LYS 20 2HZ LYS 20 8.368 9.123 -3.300 153 3HZ LYS 20 3HZ LYS 20 9.971 9.595 -2.994 154 H LEU 21 H LEU 21 4.400 3.324 -4.962 155 HA LEU 21 HA LEU 21 5.878 1.824 -2.836 156 1HB LEU 21 2HB LEU 21 2.890 2.291 -2.847 157 2HB LEU 21 1HB LEU 21 3.863 1.612 -1.542 158 HG LEU 21 HG LEU 21 5.127 3.992 -1.909 159 1HD1 LEU 21 1HD1 LEU 21 3.853 5.492 -2.994 160 2HD1 LEU 21 2HD1 LEU 21 2.511 5.184 -1.893 161 3HD1 LEU 21 3HD1 LEU 21 2.693 4.213 -3.355 162 1HD2 LEU 21 1HD2 LEU 21 2.633 3.860 -0.225 163 2HD2 LEU 21 2HD2 LEU 21 4.188 4.596 0.162 164 3HD2 LEU 21 3HD2 LEU 21 4.021 2.841 0.152 165 H LYS 22 H LYS 22 5.070 -0.454 -2.665 166 HA LYS 22 HA LYS 22 3.421 -1.519 -4.800 167 1HB LYS 22 2HB LYS 22 5.736 -1.062 -5.772 168 2HB LYS 22 1HB LYS 22 6.341 -2.307 -4.679 169 1HG LYS 22 2HG LYS 22 4.037 -2.850 -6.550 170 2HG LYS 22 1HG LYS 22 5.711 -3.047 -7.072 171 1HD LYS 22 2HD LYS 22 5.782 -4.366 -4.693 172 2HD LYS 22 1HD LYS 22 4.118 -4.683 -5.187 173 1HE LYS 22 2HE LYS 22 5.497 -5.098 -7.542 174 2HE LYS 22 1HE LYS 22 6.623 -5.728 -6.324 175 1HZ LYS 22 1HZ LYS 22 3.936 -6.626 -6.999 176 2HZ LYS 22 2HZ LYS 22 4.327 -6.614 -5.345 177 3HZ LYS 22 3HZ LYS 22 5.265 -7.517 -6.438 178 H CYS 23 H CYS 23 2.566 -3.510 -4.167 179 HA CYS 23 HA CYS 23 2.559 -4.364 -1.525 180 1HB CYS 23 2HB CYS 23 1.028 -5.197 -3.246 181 2HB CYS 23 1HB CYS 23 2.362 -5.984 -4.087 182 H SER 24 H SER 24 3.829 -5.679 -0.261 183 HA SER 24 HA SER 24 6.356 -6.749 -1.462 184 1HB SER 24 2HB SER 24 5.795 -4.885 0.719 185 2HB SER 24 1HB SER 24 6.802 -6.232 1.245 186 HG SER 24 HG SER 24 7.276 -4.264 -0.698 187 H LYS 25 H LYS 25 5.870 -8.936 -1.549 188 HA LYS 25 HA LYS 25 4.142 -10.373 0.186 189 1HB LYS 25 2HB LYS 25 5.052 -12.285 -0.922 190 2HB LYS 25 1HB LYS 25 5.152 -10.975 -2.097 191 1HG LYS 25 2HG LYS 25 7.524 -10.567 -1.270 192 2HG LYS 25 1HG LYS 25 7.384 -12.085 -0.383 193 1HD LYS 25 2HD LYS 25 6.785 -13.215 -2.553 194 2HD LYS 25 1HD LYS 25 7.157 -11.702 -3.381 195 1HE LYS 25 2HE LYS 25 9.080 -13.372 -1.721 196 2HE LYS 25 1HE LYS 25 9.151 -13.087 -3.471 197 1HZ LYS 25 1HZ LYS 25 8.960 -10.593 -2.553 198 2HZ LYS 25 2HZ LYS 25 10.443 -11.360 -2.863 199 3HZ LYS 25 3HZ LYS 25 9.827 -11.302 -1.281 200 H LEU 26 H LEU 26 7.489 -9.396 0.571 201 HA LEU 26 HA LEU 26 8.559 -11.149 2.421 202 1HB LEU 26 2HB LEU 26 8.517 -8.113 2.511 203 2HB LEU 26 1HB LEU 26 9.721 -9.138 3.291 204 HG LEU 26 HG LEU 26 9.342 -9.767 0.451 205 1HD1 LEU 26 1HD1 LEU 26 10.957 -7.534 0.211 206 2HD1 LEU 26 2HD1 LEU 26 9.683 -6.978 1.296 207 3HD1 LEU 26 3HD1 LEU 26 9.269 -7.628 -0.291 208 1HD2 LEU 26 1HD2 LEU 26 11.978 -9.042 0.909 209 2HD2 LEU 26 2HD2 LEU 26 11.323 -10.669 1.088 210 3HD2 LEU 26 3HD2 LEU 26 11.447 -9.611 2.492 211 H PHE 27 H PHE 27 6.258 -8.504 3.117 212 HA PHE 27 HA PHE 27 5.584 -9.896 5.692 213 1HB PHE 27 2HB PHE 27 6.297 -7.092 5.019 214 2HB PHE 27 1HB PHE 27 4.966 -7.306 6.157 215 HD1 PHE 27 1HD PHE 27 5.328 -8.734 8.224 216 HD2 PHE 27 2HD PHE 27 8.548 -7.465 5.681 217 HE1 PHE 27 1HE PHE 27 6.949 -9.217 10.036 218 HE2 PHE 27 2HE PHE 27 10.170 -7.950 7.493 219 HZ PHE 27 HZ PHE 27 9.371 -8.827 9.671 220 H LYS 28 H LYS 28 4.439 -9.291 2.692 221 HA LYS 28 HA LYS 28 2.227 -9.420 1.828 222 1HB LYS 28 2HB LYS 28 1.161 -9.327 4.640 223 2HB LYS 28 1HB LYS 28 0.587 -10.270 3.267 224 1HG LYS 28 2HG LYS 28 3.178 -11.208 3.665 225 2HG LYS 28 1HG LYS 28 2.566 -10.965 5.302 226 1HD LYS 28 2HD LYS 28 1.084 -12.485 3.134 227 2HD LYS 28 1HD LYS 28 2.057 -13.246 4.392 228 1HE LYS 28 2HE LYS 28 -0.021 -11.282 5.275 229 2HE LYS 28 1HE LYS 28 -0.572 -12.878 4.729 230 1HZ LYS 28 1HZ LYS 28 0.454 -13.918 6.426 231 2HZ LYS 28 2HZ LYS 28 0.364 -12.404 7.190 232 3HZ LYS 28 3HZ LYS 28 1.794 -12.879 6.407 233 H LEU 29 H LEU 29 3.686 -6.916 3.012 234 HA LEU 29 HA LEU 29 1.266 -5.133 3.068 235 1HB LEU 29 2HB LEU 29 3.971 -4.474 4.239 236 2HB LEU 29 1HB LEU 29 2.399 -3.804 4.666 237 HG LEU 29 HG LEU 29 3.425 -6.588 5.268 238 1HD1 LEU 29 1HD1 LEU 29 2.506 -5.597 7.595 239 2HD1 LEU 29 2HD1 LEU 29 2.925 -4.080 6.798 240 3HD1 LEU 29 3HD1 LEU 29 4.158 -5.319 7.040 241 1HD2 LEU 29 1HD2 LEU 29 0.725 -5.660 4.803 242 2HD2 LEU 29 2HD2 LEU 29 0.913 -6.145 6.488 243 3HD2 LEU 29 3HD2 LEU 29 1.282 -7.287 5.195 244 H CYS 30 H CYS 30 1.854 -2.842 2.248 245 HA CYS 30 HA CYS 30 3.361 -3.171 -0.274 246 1HB CYS 30 2HB CYS 30 2.012 -1.443 -1.030 247 2HB CYS 30 1HB CYS 30 0.966 -2.188 0.158 248 H ASN 31 H ASN 31 5.344 -2.316 -0.579 249 HA ASN 31 HA ASN 31 6.405 -0.416 1.489 250 1HB ASN 31 2HB ASN 31 7.332 -2.824 1.057 251 2HB ASN 31 1HB ASN 31 8.046 -2.111 -0.390 252 1HD2 ASN 31 1HD2 ASN 31 7.791 -1.405 3.146 253 2HD2 ASN 31 2HD2 ASN 31 9.365 -0.786 3.281 254 H PHE 32 H PHE 32 8.726 -0.269 -0.653 255 HA PHE 32 HA PHE 32 7.798 2.213 -1.875 256 1HB PHE 32 2HB PHE 32 10.278 0.499 -1.920 257 2HB PHE 32 1HB PHE 32 10.126 1.872 -3.016 258 HD1 PHE 32 1HD PHE 32 9.055 4.051 -1.737 259 HD2 PHE 32 2HD PHE 32 11.400 0.937 0.065 260 HE1 PHE 32 1HE PHE 32 9.692 5.593 0.099 261 HE2 PHE 32 2HE PHE 32 12.037 2.478 1.901 262 HZ PHE 32 HZ PHE 32 11.184 4.806 1.917 263 H SER 33 H SER 33 8.650 2.249 -4.427 264 HA SER 33 HA SER 33 6.647 0.786 -5.884 265 1HB SER 33 2HB SER 33 7.969 3.009 -6.351 266 2HB SER 33 1HB SER 33 9.147 1.939 -7.103 267 HG SER 33 HG SER 33 6.687 2.732 -7.970 268 H PHE 34 H PHE 34 8.314 0.000 -8.157 269 HA PHE 34 HA PHE 34 9.336 -2.589 -7.072 270 1HB PHE 34 2HB PHE 34 7.566 -2.759 -8.710 271 2HB PHE 34 1HB PHE 34 8.394 -1.639 -9.793 272 HD1 PHE 34 1HD PHE 34 9.703 -2.503 -11.518 273 HD2 PHE 34 2HD PHE 34 8.992 -4.888 -7.995 274 HE1 PHE 34 1HE PHE 34 10.921 -4.406 -12.561 275 HE2 PHE 34 2HE PHE 34 10.215 -6.791 -9.038 276 HZ PHE 34 HZ PHE 34 11.177 -6.550 -11.322 277 1HN NH2 35 1HN NH2 35 10.269 0.372 -8.941 278 2HN NH2 35 2HN NH2 35 11.985 -0.072 -9.147 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -9.792 7.346 -1.996 2 2H GLY 1 2HT GLY 1 -9.484 5.703 -1.691 3 3H GLY 1 3HT GLY 1 -9.560 6.273 -3.289 4 1HA GLY 1 2HA GLY 1 -7.537 7.370 -3.156 5 2HA GLY 1 1HA GLY 1 -7.564 7.335 -1.393 6 H CYS 2 H CYS 2 -5.611 6.197 -1.128 7 HA CYS 2 HA CYS 2 -5.629 3.379 -2.135 8 1HB CYS 2 2HB CYS 2 -3.090 3.745 -2.076 9 2HB CYS 2 1HB CYS 2 -3.969 4.581 -3.348 10 H LEU 3 H LEU 3 -3.536 2.371 -0.721 11 HA LEU 3 HA LEU 3 -4.601 2.270 2.012 12 1HB LEU 3 2HB LEU 3 -2.213 0.914 0.719 13 2HB LEU 3 1HB LEU 3 -3.047 0.400 2.184 14 HG LEU 3 HG LEU 3 -4.293 0.556 -0.575 15 1HD1 LEU 3 1HD1 LEU 3 -2.794 -1.520 0.832 16 2HD1 LEU 3 2HD1 LEU 3 -3.307 -1.459 -0.854 17 3HD1 LEU 3 3HD1 LEU 3 -4.412 -2.060 0.383 18 1HD2 LEU 3 1HD2 LEU 3 -5.881 1.010 1.263 19 2HD2 LEU 3 2HD2 LEU 3 -5.372 -0.473 2.070 20 3HD2 LEU 3 3HD2 LEU 3 -6.212 -0.555 0.521 21 H GLU 4 H GLU 4 -1.419 1.680 2.461 22 HA GLU 4 HA GLU 4 -0.659 4.526 2.978 23 1HB GLU 4 2HB GLU 4 -1.647 2.738 4.869 24 2HB GLU 4 1HB GLU 4 0.101 2.645 5.081 25 1HG GLU 4 2HG GLU 4 0.281 4.850 5.734 26 2HG GLU 4 1HG GLU 4 -1.112 5.355 4.778 27 H PHE 5 H PHE 5 1.683 3.854 4.391 28 HA PHE 5 HA PHE 5 3.449 3.136 2.169 29 1HB PHE 5 2HB PHE 5 3.557 4.748 4.386 30 2HB PHE 5 1HB PHE 5 4.519 3.367 4.912 31 HD1 PHE 5 1HD PHE 5 4.855 6.472 3.545 32 HD2 PHE 5 2HD PHE 5 5.994 2.413 2.722 33 HE1 PHE 5 1HE PHE 5 6.762 7.285 2.184 34 HE2 PHE 5 2HE PHE 5 7.904 3.226 1.361 35 HZ PHE 5 HZ PHE 5 8.287 5.663 1.093 36 H TRP 6 H TRP 6 1.753 1.314 4.468 37 HA TRP 6 HA TRP 6 3.351 -1.092 3.857 38 1HB TRP 6 2HB TRP 6 4.415 0.273 5.784 39 2HB TRP 6 1HB TRP 6 3.018 -0.220 6.740 40 HD1 TRP 6 HD TRP 6 2.924 -2.680 7.598 41 HE1 TRP 6 1HE TRP 6 4.578 -4.658 7.506 42 HE3 TRP 6 3HE TRP 6 6.292 -0.841 4.249 43 HZ2 TRP 6 2HZ TRP 6 7.017 -5.362 6.179 44 HZ3 TRP 6 3HZ TRP 6 8.268 -2.176 3.583 45 HH2 TRP 6 HH TRP 6 8.638 -4.434 4.542 46 H TRP 7 H TRP 7 0.631 -0.568 3.266 47 HA TRP 7 HA TRP 7 -0.939 -1.957 5.384 48 1HB TRP 7 2HB TRP 7 -1.469 -0.234 2.993 49 2HB TRP 7 1HB TRP 7 -2.739 -1.348 3.501 50 HD1 TRP 7 HD TRP 7 -0.617 -0.207 6.324 51 HE1 TRP 7 1HE TRP 7 -1.873 1.543 7.741 52 HE3 TRP 7 3HE TRP 7 -4.554 0.779 3.225 53 HZ2 TRP 7 2HZ TRP 7 -4.234 3.146 7.582 54 HZ3 TRP 7 3HZ TRP 7 -6.289 2.420 3.882 55 HH2 TRP 7 HH TRP 7 -6.134 3.604 6.054 56 H LYS 8 H LYS 8 -2.227 -3.872 4.763 57 HA LYS 8 HA LYS 8 -0.922 -5.972 3.552 58 1HB LYS 8 2HB LYS 8 -3.862 -5.475 3.081 59 2HB LYS 8 1HB LYS 8 -3.055 -7.012 3.347 60 1HG LYS 8 2HG LYS 8 -2.399 -5.529 5.611 61 2HG LYS 8 1HG LYS 8 -4.088 -5.121 5.310 62 1HD LYS 8 2HD LYS 8 -3.360 -7.993 5.059 63 2HD LYS 8 1HD LYS 8 -3.349 -7.317 6.689 64 1HE LYS 8 2HE LYS 8 -5.676 -6.361 6.142 65 2HE LYS 8 1HE LYS 8 -5.665 -7.461 4.748 66 1HZ LYS 8 1HZ LYS 8 -4.740 -9.037 6.718 67 2HZ LYS 8 2HZ LYS 8 -6.365 -8.978 6.229 68 3HZ LYS 8 3HZ LYS 8 -5.846 -8.074 7.571 69 H CYS 9 H CYS 9 -0.994 -6.904 1.384 70 HA CYS 9 HA CYS 9 -1.982 -5.224 -0.834 71 1HB CYS 9 2HB CYS 9 0.245 -4.800 -1.724 72 2HB CYS 9 1HB CYS 9 0.190 -4.234 -0.053 73 H ASN 10 H ASN 10 -1.314 -6.246 -2.981 74 HA ASN 10 HA ASN 10 -0.497 -9.063 -2.936 75 1HB ASN 10 2HB ASN 10 -3.221 -8.306 -2.611 76 2HB ASN 10 1HB ASN 10 -3.062 -8.959 -4.243 77 1HD2 ASN 10 1HD2 ASN 10 -3.630 -11.140 -4.164 78 2HD2 ASN 10 2HD2 ASN 10 -3.123 -12.235 -2.969 79 HA PRO 11 HA PRO 11 0.890 -7.532 -6.862 80 1HB PRO 11 2HB PRO 11 1.657 -9.967 -7.895 81 2HB PRO 11 1HB PRO 11 2.625 -9.052 -6.718 82 1HG PRO 11 2HG PRO 11 0.729 -11.318 -6.248 83 2HG PRO 11 1HG PRO 11 2.347 -11.048 -5.573 84 1HD PRO 11 2HD PRO 11 0.151 -10.497 -4.145 85 2HD PRO 11 1HD PRO 11 1.593 -9.457 -4.050 86 H ASN 12 H ASN 12 -1.762 -9.584 -6.268 87 HA ASN 12 HA ASN 12 -2.528 -9.881 -9.116 88 1HB ASN 12 2HB ASN 12 -2.835 -11.497 -7.027 89 2HB ASN 12 1HB ASN 12 -4.283 -10.523 -6.764 90 1HD2 ASN 12 1HD2 ASN 12 -4.412 -10.097 -9.833 91 2HD2 ASN 12 2HD2 ASN 12 -5.097 -11.540 -10.408 92 H ASP 13 H ASP 13 -3.793 -8.339 -6.148 93 HA ASP 13 HA ASP 13 -5.095 -6.256 -7.856 94 1HB ASP 13 2HB ASP 13 -6.342 -7.699 -5.492 95 2HB ASP 13 1HB ASP 13 -7.130 -6.504 -6.524 96 H ASP 14 H ASP 14 -2.780 -5.550 -6.788 97 HA ASP 14 HA ASP 14 -2.694 -4.812 -4.026 98 1HB ASP 14 2HB ASP 14 -0.765 -3.531 -4.729 99 2HB ASP 14 1HB ASP 14 -0.814 -4.994 -5.713 100 H LYS 15 H LYS 15 -2.864 -2.607 -3.134 101 HA LYS 15 HA LYS 15 -4.526 -0.708 -4.726 102 1HB LYS 15 2HB LYS 15 -6.012 -2.201 -3.429 103 2HB LYS 15 1HB LYS 15 -5.155 -1.764 -1.951 104 1HG LYS 15 2HG LYS 15 -6.196 0.253 -1.795 105 2HG LYS 15 1HG LYS 15 -6.104 0.540 -3.533 106 1HD LYS 15 2HD LYS 15 -8.415 0.283 -3.146 107 2HD LYS 15 1HD LYS 15 -7.917 -1.312 -3.716 108 1HE LYS 15 2HE LYS 15 -7.510 -1.238 -0.882 109 2HE LYS 15 1HE LYS 15 -9.156 -0.666 -1.221 110 1HZ LYS 15 1HZ LYS 15 -9.500 -2.902 -1.351 111 2HZ LYS 15 2HZ LYS 15 -7.916 -3.242 -1.860 112 3HZ LYS 15 3HZ LYS 15 -9.049 -2.615 -2.960 113 H CYS 16 H CYS 16 -1.774 -1.116 -2.974 114 HA CYS 16 HA CYS 16 -1.790 1.053 -1.100 115 1HB CYS 16 2HB CYS 16 -0.122 -0.856 -1.338 116 2HB CYS 16 1HB CYS 16 0.550 0.002 -2.725 117 H CYS 17 H CYS 17 -1.002 3.224 -1.372 118 HA CYS 17 HA CYS 17 -1.777 4.708 -3.586 119 1HB CYS 17 2HB CYS 17 0.691 5.126 -1.860 120 2HB CYS 17 1HB CYS 17 -0.186 6.380 -2.732 121 H ARG 18 H ARG 18 -0.610 5.467 -5.500 122 HA ARG 18 HA ARG 18 1.569 3.584 -6.306 123 1HB ARG 18 2HB ARG 18 -0.876 4.323 -7.448 124 2HB ARG 18 1HB ARG 18 0.341 5.153 -8.420 125 1HG ARG 18 2HG ARG 18 -0.067 2.920 -9.335 126 2HG ARG 18 1HG ARG 18 1.567 3.009 -8.676 127 1HD ARG 18 2HD ARG 18 1.123 1.396 -7.141 128 2HD ARG 18 1HD ARG 18 -0.391 2.186 -6.657 129 HE ARG 18 HE ARG 18 -1.550 0.882 -8.278 130 1HH1 ARG 18 1HH2 ARG 18 1.113 -0.777 -7.604 131 2HH1 ARG 18 2HH2 ARG 18 1.403 -1.434 -9.180 132 1HH2 ARG 18 1HH1 ARG 18 -0.859 0.665 -10.761 133 2HH2 ARG 18 2HH1 ARG 18 0.288 -0.616 -10.968 134 HA PRO 19 HA PRO 19 3.128 8.054 -6.755 135 1HB PRO 19 2HB PRO 19 4.020 8.807 -4.285 136 2HB PRO 19 1HB PRO 19 2.382 9.172 -4.856 137 1HG PRO 19 2HG PRO 19 3.300 7.080 -2.968 138 2HG PRO 19 1HG PRO 19 1.798 8.012 -2.980 139 1HD PRO 19 2HD PRO 19 2.047 5.401 -3.853 140 2HD PRO 19 1HD PRO 19 0.745 6.517 -4.317 141 H LYS 20 H LYS 20 4.132 5.417 -4.666 142 HA LYS 20 HA LYS 20 6.573 4.901 -6.062 143 1HB LYS 20 2HB LYS 20 8.192 5.879 -4.565 144 2HB LYS 20 1HB LYS 20 7.045 7.152 -4.970 145 1HG LYS 20 2HG LYS 20 6.181 5.613 -2.641 146 2HG LYS 20 1HG LYS 20 7.760 6.356 -2.398 147 1HD LYS 20 2HD LYS 20 5.308 7.827 -3.392 148 2HD LYS 20 1HD LYS 20 5.875 7.846 -1.723 149 1HE LYS 20 2HE LYS 20 7.747 9.137 -2.230 150 2HE LYS 20 1HE LYS 20 7.803 8.573 -3.913 151 1HZ LYS 20 1HZ LYS 20 5.997 9.879 -4.504 152 2HZ LYS 20 2HZ LYS 20 6.853 10.901 -3.451 153 3HZ LYS 20 3HZ LYS 20 5.473 10.075 -2.902 154 H LEU 21 H LEU 21 4.508 3.247 -5.028 155 HA LEU 21 HA LEU 21 6.063 1.675 -3.012 156 1HB LEU 21 2HB LEU 21 3.128 2.410 -2.909 157 2HB LEU 21 1HB LEU 21 3.913 1.292 -1.797 158 HG LEU 21 HG LEU 21 4.692 4.199 -2.190 159 1HD1 LEU 21 1HD1 LEU 21 3.488 2.960 0.283 160 2HD1 LEU 21 2HD1 LEU 21 2.466 3.615 -0.997 161 3HD1 LEU 21 3HD1 LEU 21 3.599 4.666 -0.148 162 1HD2 LEU 21 1HD2 LEU 21 6.136 1.980 -1.164 163 2HD2 LEU 21 2HD2 LEU 21 5.640 2.943 0.228 164 3HD2 LEU 21 3HD2 LEU 21 6.580 3.684 -1.067 165 H LYS 22 H LYS 22 5.188 -0.555 -2.826 166 HA LYS 22 HA LYS 22 3.496 -1.619 -4.920 167 1HB LYS 22 2HB LYS 22 6.050 -1.153 -5.670 168 2HB LYS 22 1HB LYS 22 6.251 -2.751 -4.952 169 1HG LYS 22 2HG LYS 22 3.920 -2.405 -6.767 170 2HG LYS 22 1HG LYS 22 5.513 -2.401 -7.525 171 1HD LYS 22 2HD LYS 22 5.154 -4.507 -5.495 172 2HD LYS 22 1HD LYS 22 4.098 -4.669 -6.898 173 1HE LYS 22 2HE LYS 22 5.891 -4.904 -8.389 174 2HE LYS 22 1HE LYS 22 7.030 -4.092 -7.297 175 1HZ LYS 22 1HZ LYS 22 6.567 -6.814 -7.479 176 2HZ LYS 22 2HZ LYS 22 5.842 -6.332 -6.020 177 3HZ LYS 22 3HZ LYS 22 7.487 -6.012 -6.303 178 H CYS 23 H CYS 23 2.651 -3.607 -4.213 179 HA CYS 23 HA CYS 23 2.620 -4.433 -1.610 180 1HB CYS 23 2HB CYS 23 1.347 -5.436 -3.520 181 2HB CYS 23 1HB CYS 23 2.812 -6.281 -4.013 182 H SER 24 H SER 24 3.938 -5.547 -0.194 183 HA SER 24 HA SER 24 6.637 -6.387 -1.198 184 1HB SER 24 2HB SER 24 5.779 -4.509 0.807 185 2HB SER 24 1HB SER 24 6.659 -5.817 1.592 186 HG SER 24 HG SER 24 8.009 -4.096 0.812 187 H LYS 25 H LYS 25 6.474 -8.600 -1.282 188 HA LYS 25 HA LYS 25 4.781 -10.243 0.320 189 1HB LYS 25 2HB LYS 25 6.055 -10.648 -1.902 190 2HB LYS 25 1HB LYS 25 7.428 -11.070 -0.877 191 1HG LYS 25 2HG LYS 25 6.257 -12.885 0.122 192 2HG LYS 25 1HG LYS 25 4.706 -12.330 -0.510 193 1HD LYS 25 2HD LYS 25 6.961 -13.067 -2.371 194 2HD LYS 25 1HD LYS 25 5.875 -14.302 -1.729 195 1HE LYS 25 2HE LYS 25 4.422 -13.763 -3.385 196 2HE LYS 25 1HE LYS 25 4.209 -12.184 -2.604 197 1HZ LYS 25 1HZ LYS 25 5.059 -11.602 -4.660 198 2HZ LYS 25 2HZ LYS 25 6.086 -12.952 -4.744 199 3HZ LYS 25 3HZ LYS 25 6.462 -11.658 -3.710 200 H LEU 26 H LEU 26 7.919 -8.829 0.956 201 HA LEU 26 HA LEU 26 9.155 -10.447 2.808 202 1HB LEU 26 2HB LEU 26 8.554 -7.481 3.062 203 2HB LEU 26 1HB LEU 26 9.877 -8.328 3.859 204 HG LEU 26 HG LEU 26 9.845 -8.859 0.998 205 1HD1 LEU 26 1HD1 LEU 26 9.359 -6.790 0.237 206 2HD1 LEU 26 2HD1 LEU 26 10.859 -6.252 0.992 207 3HD1 LEU 26 3HD1 LEU 26 9.336 -6.128 1.872 208 1HD2 LEU 26 1HD2 LEU 26 12.122 -7.374 1.938 209 2HD2 LEU 26 2HD2 LEU 26 12.027 -9.084 1.520 210 3HD2 LEU 26 3HD2 LEU 26 11.666 -8.557 3.165 211 H PHE 27 H PHE 27 6.379 -8.301 3.472 212 HA PHE 27 HA PHE 27 5.769 -9.987 5.874 213 1HB PHE 27 2HB PHE 27 6.293 -7.088 5.568 214 2HB PHE 27 1HB PHE 27 4.904 -7.511 6.570 215 HD1 PHE 27 1HD PHE 27 5.267 -7.929 8.820 216 HD2 PHE 27 2HD PHE 27 8.456 -8.603 6.024 217 HE1 PHE 27 1HE PHE 27 6.780 -8.518 10.688 218 HE2 PHE 27 2HE PHE 27 9.973 -9.195 7.895 219 HZ PHE 27 HZ PHE 27 9.134 -9.153 10.229 220 H LYS 28 H LYS 28 4.719 -8.923 2.913 221 HA LYS 28 HA LYS 28 2.596 -9.276 1.891 222 1HB LYS 28 2HB LYS 28 1.361 -9.412 4.640 223 2HB LYS 28 1HB LYS 28 0.835 -10.204 3.157 224 1HG LYS 28 2HG LYS 28 3.490 -11.087 3.682 225 2HG LYS 28 1HG LYS 28 2.588 -11.215 5.191 226 1HD LYS 28 2HD LYS 28 1.479 -12.238 2.571 227 2HD LYS 28 1HD LYS 28 2.478 -13.244 3.621 228 1HE LYS 28 2HE LYS 28 0.784 -13.548 5.115 229 2HE LYS 28 1HE LYS 28 0.301 -11.842 5.039 230 1HZ LYS 28 1HZ LYS 28 -0.406 -14.044 3.204 231 2HZ LYS 28 2HZ LYS 28 -0.443 -12.432 2.669 232 3HZ LYS 28 3HZ LYS 28 -1.431 -12.925 3.961 233 H LEU 29 H LEU 29 3.805 -6.722 3.119 234 HA LEU 29 HA LEU 29 1.266 -5.103 3.148 235 1HB LEU 29 2HB LEU 29 3.983 -4.590 4.419 236 2HB LEU 29 1HB LEU 29 2.638 -3.457 4.448 237 HG LEU 29 HG LEU 29 2.562 -4.647 6.526 238 1HD1 LEU 29 1HD1 LEU 29 0.544 -6.284 5.108 239 2HD1 LEU 29 2HD1 LEU 29 0.455 -4.548 4.816 240 3HD1 LEU 29 3HD1 LEU 29 0.343 -5.172 6.462 241 1HD2 LEU 29 1HD2 LEU 29 3.197 -6.804 6.770 242 2HD2 LEU 29 2HD2 LEU 29 3.779 -6.690 5.108 243 3HD2 LEU 29 3HD2 LEU 29 2.171 -7.336 5.437 244 H CYS 30 H CYS 30 1.846 -2.736 2.324 245 HA CYS 30 HA CYS 30 3.280 -3.131 -0.242 246 1HB CYS 30 2HB CYS 30 1.844 -1.503 -1.052 247 2HB CYS 30 1HB CYS 30 0.848 -2.265 0.166 248 H ASN 31 H ASN 31 5.205 -2.186 -0.629 249 HA ASN 31 HA ASN 31 5.986 0.331 0.672 250 1HB ASN 31 2HB ASN 31 6.464 -1.240 2.431 251 2HB ASN 31 1HB ASN 31 7.274 -2.333 1.318 252 1HD2 ASN 31 1HD2 ASN 31 9.493 -1.948 0.891 253 2HD2 ASN 31 2HD2 ASN 31 10.358 -0.636 1.531 254 H PHE 32 H PHE 32 8.346 0.811 0.015 255 HA PHE 32 HA PHE 32 9.532 -0.553 -2.222 256 1HB PHE 32 2HB PHE 32 7.445 0.299 -3.250 257 2HB PHE 32 1HB PHE 32 7.914 1.937 -2.797 258 HD1 PHE 32 1HD PHE 32 9.568 3.153 -4.028 259 HD2 PHE 32 2HD PHE 32 8.827 -0.989 -4.879 260 HE1 PHE 32 1HE PHE 32 10.940 3.333 -6.089 261 HE2 PHE 32 2HE PHE 32 10.196 -0.814 -6.941 262 HZ PHE 32 HZ PHE 32 11.253 1.349 -7.545 263 H SER 33 H SER 33 9.053 2.927 -1.638 264 HA SER 33 HA SER 33 12.001 3.283 -1.526 265 1HB SER 33 2HB SER 33 9.759 4.700 -2.529 266 2HB SER 33 1HB SER 33 10.430 5.688 -1.234 267 HG SER 33 HG SER 33 12.043 4.492 -3.229 268 H PHE 34 H PHE 34 13.065 3.928 0.350 269 HA PHE 34 HA PHE 34 11.628 3.691 2.894 270 1HB PHE 34 2HB PHE 34 13.892 2.799 2.538 271 2HB PHE 34 1HB PHE 34 14.485 4.418 2.164 272 HD1 PHE 34 1HD PHE 34 12.041 3.366 4.788 273 HD2 PHE 34 2HD PHE 34 15.974 4.918 3.936 274 HE1 PHE 34 1HE PHE 34 12.395 3.795 7.213 275 HE2 PHE 34 2HE PHE 34 16.327 5.349 6.364 276 HZ PHE 34 HZ PHE 34 14.538 4.787 8.002 277 1HN NH2 35 1HN NH2 35 13.583 6.343 1.223 278 2HN NH2 35 2HN NH2 35 12.793 7.688 2.089 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -9.100 7.104 -3.221 2 2H GLY 1 2HT GLY 1 -7.793 6.099 -3.627 3 3H GLY 1 3HT GLY 1 -7.545 7.464 -2.647 4 1HA GLY 1 2HA GLY 1 -8.314 6.474 -0.784 5 2HA GLY 1 1HA GLY 1 -9.476 5.504 -1.689 6 H CYS 2 H CYS 2 -5.932 5.867 -1.359 7 HA CYS 2 HA CYS 2 -5.650 2.953 -1.915 8 1HB CYS 2 2HB CYS 2 -3.239 3.628 -2.170 9 2HB CYS 2 1HB CYS 2 -4.325 4.427 -3.292 10 H LEU 3 H LEU 3 -3.378 2.293 -0.622 11 HA LEU 3 HA LEU 3 -4.136 2.549 2.251 12 1HB LEU 3 2HB LEU 3 -2.201 0.609 0.983 13 2HB LEU 3 1HB LEU 3 -3.112 0.428 2.468 14 HG LEU 3 HG LEU 3 -4.229 0.425 -0.340 15 1HD1 LEU 3 1HD1 LEU 3 -4.094 -1.819 -0.186 16 2HD1 LEU 3 2HD1 LEU 3 -4.947 -1.799 1.358 17 3HD1 LEU 3 3HD1 LEU 3 -3.194 -1.618 1.319 18 1HD2 LEU 3 1HD2 LEU 3 -5.465 1.246 2.095 19 2HD2 LEU 3 2HD2 LEU 3 -6.131 -0.332 1.673 20 3HD2 LEU 3 3HD2 LEU 3 -6.228 1.002 0.524 21 H GLU 4 H GLU 4 -2.199 2.484 3.787 22 HA GLU 4 HA GLU 4 -0.454 4.711 3.357 23 1HB GLU 4 2HB GLU 4 -1.132 2.773 5.371 24 2HB GLU 4 1HB GLU 4 0.623 2.930 5.297 25 1HG GLU 4 2HG GLU 4 -0.954 5.455 5.209 26 2HG GLU 4 1HG GLU 4 -0.900 4.600 6.751 27 H PHE 5 H PHE 5 2.067 4.010 4.040 28 HA PHE 5 HA PHE 5 3.086 2.753 1.587 29 1HB PHE 5 2HB PHE 5 4.565 4.406 2.047 30 2HB PHE 5 1HB PHE 5 3.914 4.605 3.668 31 HD1 PHE 5 1HD PHE 5 6.596 3.204 1.650 32 HD2 PHE 5 2HD PHE 5 4.784 3.173 5.544 33 HE1 PHE 5 1HE PHE 5 8.643 2.173 2.594 34 HE2 PHE 5 2HE PHE 5 6.832 2.142 6.488 35 HZ PHE 5 HZ PHE 5 8.762 1.642 5.013 36 H TRP 6 H TRP 6 1.762 1.314 4.097 37 HA TRP 6 HA TRP 6 3.429 -1.098 3.880 38 1HB TRP 6 2HB TRP 6 4.548 0.446 5.550 39 2HB TRP 6 1HB TRP 6 3.096 0.329 6.544 40 HD1 TRP 6 HD TRP 6 3.544 -1.271 8.451 41 HE1 TRP 6 1HE TRP 6 4.681 -3.570 8.711 42 HE3 TRP 6 3HE TRP 6 5.229 -1.963 3.683 43 HZ2 TRP 6 2HZ TRP 6 6.114 -5.453 7.107 44 HZ3 TRP 6 3HZ TRP 6 6.477 -4.016 3.076 45 HH2 TRP 6 HH TRP 6 6.922 -5.760 4.781 46 H TRP 7 H TRP 7 0.787 -0.770 3.143 47 HA TRP 7 HA TRP 7 -0.794 -1.987 5.382 48 1HB TRP 7 2HB TRP 7 -1.304 -0.132 3.118 49 2HB TRP 7 1HB TRP 7 -2.590 -1.286 3.468 50 HD1 TRP 7 HD TRP 7 -0.398 -0.072 6.303 51 HE1 TRP 7 1HE TRP 7 -1.796 1.409 7.882 52 HE3 TRP 7 3HE TRP 7 -4.653 0.391 3.528 53 HZ2 TRP 7 2HZ TRP 7 -4.383 2.629 7.958 54 HZ3 TRP 7 3HZ TRP 7 -6.571 1.718 4.375 55 HH2 TRP 7 HH TRP 7 -6.440 2.837 6.584 56 H LYS 8 H LYS 8 -2.421 -3.675 4.539 57 HA LYS 8 HA LYS 8 -1.244 -5.909 3.403 58 1HB LYS 8 2HB LYS 8 -4.031 -5.154 2.570 59 2HB LYS 8 1HB LYS 8 -3.420 -6.724 3.064 60 1HG LYS 8 2HG LYS 8 -3.020 -5.608 5.375 61 2HG LYS 8 1HG LYS 8 -4.134 -4.368 4.798 62 1HD LYS 8 2HD LYS 8 -5.492 -6.636 4.117 63 2HD LYS 8 1HD LYS 8 -4.675 -7.162 5.590 64 1HE LYS 8 2HE LYS 8 -6.525 -6.189 6.577 65 2HE LYS 8 1HE LYS 8 -5.549 -4.718 6.397 66 1HZ LYS 8 1HZ LYS 8 -7.596 -5.762 4.518 67 2HZ LYS 8 2HZ LYS 8 -6.510 -4.518 4.117 68 3HZ LYS 8 3HZ LYS 8 -7.636 -4.297 5.370 69 H CYS 9 H CYS 9 -0.997 -6.704 1.254 70 HA CYS 9 HA CYS 9 -1.558 -4.791 -0.968 71 1HB CYS 9 2HB CYS 9 0.750 -4.875 -1.690 72 2HB CYS 9 1HB CYS 9 0.742 -4.449 0.019 73 H ASN 10 H ASN 10 -1.025 -5.890 -3.129 74 HA ASN 10 HA ASN 10 -1.117 -8.843 -3.101 75 1HB ASN 10 2HB ASN 10 -3.453 -7.397 -2.929 76 2HB ASN 10 1HB ASN 10 -3.297 -7.620 -4.671 77 1HD2 ASN 10 1HD2 ASN 10 -3.284 -9.850 -5.499 78 2HD2 ASN 10 2HD2 ASN 10 -3.848 -11.135 -4.546 79 HA PRO 11 HA PRO 11 1.259 -7.639 -6.706 80 1HB PRO 11 2HB PRO 11 1.878 -10.211 -7.457 81 2HB PRO 11 1HB PRO 11 2.733 -9.338 -6.169 82 1HG PRO 11 2HG PRO 11 0.527 -11.341 -5.947 83 2HG PRO 11 1HG PRO 11 2.013 -11.194 -4.992 84 1HD PRO 11 2HD PRO 11 -0.347 -10.315 -4.056 85 2HD PRO 11 1HD PRO 11 1.173 -9.460 -3.701 86 H ASN 12 H ASN 12 -1.585 -9.607 -6.507 87 HA ASN 12 HA ASN 12 -1.926 -9.653 -9.468 88 1HB ASN 12 2HB ASN 12 -2.294 -11.701 -8.118 89 2HB ASN 12 1HB ASN 12 -3.530 -10.856 -7.186 90 1HD2 ASN 12 1HD2 ASN 12 -2.940 -10.730 -10.730 91 2HD2 ASN 12 2HD2 ASN 12 -4.475 -11.313 -11.159 92 H ASP 13 H ASP 13 -2.773 -7.798 -6.738 93 HA ASP 13 HA ASP 13 -4.436 -5.991 -8.289 94 1HB ASP 13 2HB ASP 13 -5.853 -8.086 -7.719 95 2HB ASP 13 1HB ASP 13 -5.823 -7.490 -6.059 96 H ASP 14 H ASP 14 -2.184 -5.397 -6.920 97 HA ASP 14 HA ASP 14 -2.345 -4.799 -4.155 98 1HB ASP 14 2HB ASP 14 -0.372 -4.775 -5.781 99 2HB ASP 14 1HB ASP 14 -0.921 -3.173 -6.275 100 H LYS 15 H LYS 15 -2.809 -2.786 -3.079 101 HA LYS 15 HA LYS 15 -4.517 -0.888 -4.651 102 1HB LYS 15 2HB LYS 15 -5.869 -2.397 -3.281 103 2HB LYS 15 1HB LYS 15 -4.896 -2.016 -1.861 104 1HG LYS 15 2HG LYS 15 -5.901 0.012 -1.549 105 2HG LYS 15 1HG LYS 15 -6.061 0.312 -3.280 106 1HD LYS 15 2HD LYS 15 -7.814 -1.633 -3.190 107 2HD LYS 15 1HD LYS 15 -7.861 -1.269 -1.464 108 1HE LYS 15 2HE LYS 15 -9.576 0.090 -2.454 109 2HE LYS 15 1HE LYS 15 -8.214 1.193 -2.169 110 1HZ LYS 15 1HZ LYS 15 -9.328 0.967 -4.540 111 2HZ LYS 15 2HZ LYS 15 -8.232 -0.325 -4.667 112 3HZ LYS 15 3HZ LYS 15 -7.664 1.247 -4.359 113 H CYS 16 H CYS 16 -1.829 -1.299 -2.557 114 HA CYS 16 HA CYS 16 -1.768 0.980 -0.937 115 1HB CYS 16 2HB CYS 16 -0.052 -0.904 -1.243 116 2HB CYS 16 1HB CYS 16 0.560 0.013 -2.620 117 H CYS 17 H CYS 17 -1.149 3.180 -1.304 118 HA CYS 17 HA CYS 17 -2.024 4.521 -3.575 119 1HB CYS 17 2HB CYS 17 0.431 5.194 -1.914 120 2HB CYS 17 1HB CYS 17 -0.564 6.334 -2.811 121 H ARG 18 H ARG 18 -0.773 5.435 -5.439 122 HA ARG 18 HA ARG 18 1.416 3.562 -6.260 123 1HB ARG 18 2HB ARG 18 0.609 3.961 -8.533 124 2HB ARG 18 1HB ARG 18 -0.745 3.493 -7.504 125 1HG ARG 18 2HG ARG 18 -0.135 6.405 -7.715 126 2HG ARG 18 1HG ARG 18 -0.873 5.629 -9.117 127 1HD ARG 18 2HD ARG 18 -2.397 4.604 -7.068 128 2HD ARG 18 1HD ARG 18 -2.062 6.248 -6.490 129 HE ARG 18 HE ARG 18 -3.012 5.832 -9.290 130 1HH1 ARG 18 1HH2 ARG 18 -4.177 6.345 -6.185 131 2HH1 ARG 18 2HH2 ARG 18 -5.077 7.775 -6.566 132 1HH2 ARG 18 1HH1 ARG 18 -3.794 8.043 -9.778 133 2HH2 ARG 18 2HH1 ARG 18 -4.861 8.737 -8.603 134 HA PRO 19 HA PRO 19 2.888 8.073 -6.568 135 1HB PRO 19 2HB PRO 19 3.987 8.571 -4.119 136 2HB PRO 19 1HB PRO 19 2.303 8.976 -4.506 137 1HG PRO 19 2HG PRO 19 3.388 6.699 -2.945 138 2HG PRO 19 1HG PRO 19 1.894 7.618 -2.716 139 1HD PRO 19 2HD PRO 19 2.035 5.123 -3.876 140 2HD PRO 19 1HD PRO 19 0.718 6.288 -4.124 141 H LYS 20 H LYS 20 4.129 5.307 -4.771 142 HA LYS 20 HA LYS 20 6.403 4.870 -6.422 143 1HB LYS 20 2HB LYS 20 7.158 7.026 -5.598 144 2HB LYS 20 1HB LYS 20 6.814 6.559 -3.934 145 1HG LYS 20 2HG LYS 20 8.661 5.167 -3.798 146 2HG LYS 20 1HG LYS 20 8.696 4.875 -5.538 147 1HD LYS 20 2HD LYS 20 9.115 7.691 -4.731 148 2HD LYS 20 1HD LYS 20 10.399 6.579 -4.260 149 1HE LYS 20 2HE LYS 20 11.188 6.698 -6.382 150 2HE LYS 20 1HE LYS 20 9.701 5.901 -6.929 151 1HZ LYS 20 1HZ LYS 20 9.545 8.734 -6.224 152 2HZ LYS 20 2HZ LYS 20 8.699 7.868 -7.414 153 3HZ LYS 20 3HZ LYS 20 10.306 8.343 -7.687 154 H LEU 21 H LEU 21 4.325 3.449 -4.769 155 HA LEU 21 HA LEU 21 6.175 1.822 -3.051 156 1HB LEU 21 2HB LEU 21 3.235 2.471 -2.749 157 2HB LEU 21 1HB LEU 21 4.120 1.370 -1.698 158 HG LEU 21 HG LEU 21 5.091 4.187 -2.149 159 1HD1 LEU 21 1HD1 LEU 21 2.868 4.545 -1.354 160 2HD1 LEU 21 2HD1 LEU 21 3.905 4.668 0.068 161 3HD1 LEU 21 3HD1 LEU 21 2.979 3.196 -0.224 162 1HD2 LEU 21 1HD2 LEU 21 6.366 2.169 -1.008 163 2HD2 LEU 21 2HD2 LEU 21 5.330 2.560 0.364 164 3HD2 LEU 21 3HD2 LEU 21 6.431 3.777 -0.284 165 H LYS 22 H LYS 22 5.285 -0.458 -2.738 166 HA LYS 22 HA LYS 22 3.570 -1.550 -4.806 167 1HB LYS 22 2HB LYS 22 5.750 -1.181 -5.956 168 2HB LYS 22 1HB LYS 22 6.532 -2.201 -4.748 169 1HG LYS 22 2HG LYS 22 4.366 -3.725 -5.647 170 2HG LYS 22 1HG LYS 22 5.014 -2.979 -7.108 171 1HD LYS 22 2HD LYS 22 7.269 -3.782 -5.634 172 2HD LYS 22 1HD LYS 22 6.130 -5.125 -5.508 173 1HE LYS 22 2HE LYS 22 5.897 -5.206 -7.949 174 2HE LYS 22 1HE LYS 22 6.972 -3.803 -8.114 175 1HZ LYS 22 1HZ LYS 22 8.022 -6.118 -8.267 176 2HZ LYS 22 2HZ LYS 22 7.799 -6.194 -6.584 177 3HZ LYS 22 3HZ LYS 22 8.773 -4.977 -7.261 178 H CYS 23 H CYS 23 2.750 -3.554 -4.134 179 HA CYS 23 HA CYS 23 2.655 -4.406 -1.537 180 1HB CYS 23 2HB CYS 23 1.359 -5.434 -3.330 181 2HB CYS 23 1HB CYS 23 2.824 -6.061 -4.076 182 H SER 24 H SER 24 3.873 -5.758 -0.177 183 HA SER 24 HA SER 24 6.603 -6.549 -1.115 184 1HB SER 24 2HB SER 24 5.678 -4.723 1.031 185 2HB SER 24 1HB SER 24 6.981 -5.819 1.479 186 HG SER 24 HG SER 24 8.286 -4.703 0.269 187 H LYS 25 H LYS 25 6.654 -8.747 -0.884 188 HA LYS 25 HA LYS 25 4.855 -10.279 0.733 189 1HB LYS 25 2HB LYS 25 6.648 -10.708 -1.291 190 2HB LYS 25 1HB LYS 25 7.505 -11.415 0.079 191 1HG LYS 25 2HG LYS 25 4.650 -12.107 0.000 192 2HG LYS 25 1HG LYS 25 5.559 -12.698 -1.392 193 1HD LYS 25 2HD LYS 25 7.303 -13.364 0.532 194 2HD LYS 25 1HD LYS 25 5.823 -13.416 1.490 195 1HE LYS 25 2HE LYS 25 5.697 -14.729 -1.182 196 2HE LYS 25 1HE LYS 25 6.668 -15.543 0.062 197 1HZ LYS 25 1HZ LYS 25 3.996 -14.443 0.680 198 2HZ LYS 25 2HZ LYS 25 4.879 -15.621 1.526 199 3HZ LYS 25 3HZ LYS 25 4.163 -16.001 0.033 200 H LEU 26 H LEU 26 7.636 -8.461 1.573 201 HA LEU 26 HA LEU 26 8.983 -9.804 3.576 202 1HB LEU 26 2HB LEU 26 8.442 -7.128 2.790 203 2HB LEU 26 1HB LEU 26 8.196 -7.198 4.536 204 HG LEU 26 HG LEU 26 10.606 -8.566 3.430 205 1HD1 LEU 26 1HD1 LEU 26 10.706 -6.465 2.229 206 2HD1 LEU 26 2HD1 LEU 26 11.848 -6.380 3.570 207 3HD1 LEU 26 3HD1 LEU 26 10.290 -5.562 3.687 208 1HD2 LEU 26 1HD2 LEU 26 9.789 -8.401 5.897 209 2HD2 LEU 26 2HD2 LEU 26 10.392 -6.745 5.823 210 3HD2 LEU 26 3HD2 LEU 26 11.493 -8.098 5.563 211 H PHE 27 H PHE 27 5.881 -8.074 4.015 212 HA PHE 27 HA PHE 27 5.227 -9.954 6.245 213 1HB PHE 27 2HB PHE 27 5.293 -6.936 6.230 214 2HB PHE 27 1HB PHE 27 4.331 -7.837 7.403 215 HD1 PHE 27 1HD PHE 27 7.694 -6.885 6.353 216 HD2 PHE 27 2HD PHE 27 5.426 -9.395 8.997 217 HE1 PHE 27 1HE PHE 27 9.727 -7.295 7.704 218 HE2 PHE 27 2HE PHE 27 7.457 -9.805 10.350 219 HZ PHE 27 HZ PHE 27 9.614 -8.754 9.707 220 H LYS 28 H LYS 28 4.376 -9.038 3.307 221 HA LYS 28 HA LYS 28 2.332 -9.364 2.140 222 1HB LYS 28 2HB LYS 28 0.896 -9.329 4.794 223 2HB LYS 28 1HB LYS 28 0.461 -10.188 3.319 224 1HG LYS 28 2HG LYS 28 3.027 -11.133 4.016 225 2HG LYS 28 1HG LYS 28 2.108 -11.086 5.521 226 1HD LYS 28 2HD LYS 28 1.179 -12.400 2.948 227 2HD LYS 28 1HD LYS 28 1.818 -13.252 4.353 228 1HE LYS 28 2HE LYS 28 -0.103 -11.795 5.578 229 2HE LYS 28 1HE LYS 28 -0.843 -11.977 3.975 230 1HZ LYS 28 1HZ LYS 28 -1.421 -13.911 5.173 231 2HZ LYS 28 2HZ LYS 28 0.156 -14.116 5.771 232 3HZ LYS 28 3HZ LYS 28 -0.174 -14.384 4.126 233 H LEU 29 H LEU 29 3.526 -6.774 3.177 234 HA LEU 29 HA LEU 29 1.034 -5.109 2.944 235 1HB LEU 29 2HB LEU 29 3.583 -4.641 4.529 236 2HB LEU 29 1HB LEU 29 2.327 -3.428 4.311 237 HG LEU 29 HG LEU 29 0.725 -5.311 5.188 238 1HD1 LEU 29 1HD1 LEU 29 1.647 -7.138 6.144 239 2HD1 LEU 29 2HD1 LEU 29 2.914 -6.193 6.927 240 3HD1 LEU 29 3HD1 LEU 29 3.106 -6.710 5.252 241 1HD2 LEU 29 1HD2 LEU 29 0.742 -3.545 6.641 242 2HD2 LEU 29 2HD2 LEU 29 2.500 -3.402 6.601 243 3HD2 LEU 29 3HD2 LEU 29 1.738 -4.626 7.617 244 H CYS 30 H CYS 30 1.775 -2.779 2.154 245 HA CYS 30 HA CYS 30 3.395 -3.242 -0.281 246 1HB CYS 30 2HB CYS 30 2.173 -1.432 -1.130 247 2HB CYS 30 1HB CYS 30 1.016 -2.229 -0.081 248 H ASN 31 H ASN 31 5.323 -2.166 -0.665 249 HA ASN 31 HA ASN 31 6.127 0.113 1.015 250 1HB ASN 31 2HB ASN 31 6.666 -1.640 2.529 251 2HB ASN 31 1HB ASN 31 7.335 -2.638 1.245 252 1HD2 ASN 31 1HD2 ASN 31 8.006 0.063 3.401 253 2HD2 ASN 31 2HD2 ASN 31 9.647 0.214 2.995 254 H PHE 32 H PHE 32 8.372 0.785 0.444 255 HA PHE 32 HA PHE 32 9.802 -0.134 -1.832 256 1HB PHE 32 2HB PHE 32 7.548 0.573 -2.824 257 2HB PHE 32 1HB PHE 32 8.012 2.227 -2.429 258 HD1 PHE 32 1HD PHE 32 8.127 -0.258 -4.912 259 HD2 PHE 32 2HD PHE 32 10.477 2.883 -3.171 260 HE1 PHE 32 1HE PHE 32 9.508 -0.154 -6.974 261 HE2 PHE 32 2HE PHE 32 11.860 2.993 -5.231 262 HZ PHE 32 HZ PHE 32 11.375 1.473 -7.131 263 H SER 33 H SER 33 8.700 3.137 -0.965 264 HA SER 33 HA SER 33 11.272 4.361 -1.069 265 1HB SER 33 2HB SER 33 10.107 6.234 -0.217 266 2HB SER 33 1HB SER 33 8.844 5.302 -1.017 267 HG SER 33 HG SER 33 9.416 5.594 1.722 268 H PHE 34 H PHE 34 11.483 5.696 1.425 269 HA PHE 34 HA PHE 34 12.849 3.640 3.008 270 1HB PHE 34 2HB PHE 34 12.953 6.444 2.562 271 2HB PHE 34 1HB PHE 34 12.633 6.216 4.281 272 HD1 PHE 34 1HD PHE 34 14.865 5.061 1.505 273 HD2 PHE 34 2HD PHE 34 14.361 5.589 5.754 274 HE1 PHE 34 1HE PHE 34 17.243 4.422 1.866 275 HE2 PHE 34 2HE PHE 34 16.741 4.953 6.116 276 HZ PHE 34 HZ PHE 34 18.182 4.368 4.171 277 1HN NH2 35 1HN NH2 35 11.692 5.973 5.218 278 2HN NH2 35 2HN NH2 35 10.320 5.061 5.901 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -8.299 7.838 -0.855 2 2H GLY 1 2HT GLY 1 -7.248 6.793 -0.024 3 3H GLY 1 3HT GLY 1 -8.899 6.841 0.379 4 1HA GLY 1 2HA GLY 1 -9.512 5.508 -1.301 5 2HA GLY 1 1HA GLY 1 -8.323 6.222 -2.393 6 H CYS 2 H CYS 2 -6.197 5.373 -2.420 7 HA CYS 2 HA CYS 2 -5.864 2.607 -2.005 8 1HB CYS 2 2HB CYS 2 -3.390 3.268 -2.117 9 2HB CYS 2 1HB CYS 2 -4.397 3.824 -3.449 10 H LEU 3 H LEU 3 -3.703 2.027 -0.511 11 HA LEU 3 HA LEU 3 -4.643 2.509 2.265 12 1HB LEU 3 2HB LEU 3 -2.723 0.595 0.917 13 2HB LEU 3 1HB LEU 3 -2.964 0.627 2.656 14 HG LEU 3 HG LEU 3 -5.511 0.587 1.274 15 1HD1 LEU 3 1HD1 LEU 3 -4.298 -0.591 -0.491 16 2HD1 LEU 3 2HD1 LEU 3 -5.290 -1.744 0.402 17 3HD1 LEU 3 3HD1 LEU 3 -3.553 -1.659 0.699 18 1HD2 LEU 3 1HD2 LEU 3 -5.508 -0.069 3.529 19 2HD2 LEU 3 2HD2 LEU 3 -4.047 -1.038 3.344 20 3HD2 LEU 3 3HD2 LEU 3 -5.577 -1.618 2.689 21 H GLU 4 H GLU 4 -1.974 1.948 3.397 22 HA GLU 4 HA GLU 4 -0.820 4.670 3.072 23 1HB GLU 4 2HB GLU 4 -1.374 2.914 5.215 24 2HB GLU 4 1HB GLU 4 0.384 3.023 5.114 25 1HG GLU 4 2HG GLU 4 -0.372 5.640 4.740 26 2HG GLU 4 1HG GLU 4 -1.578 5.074 5.896 27 H PHE 5 H PHE 5 1.760 4.237 3.873 28 HA PHE 5 HA PHE 5 2.980 3.154 1.452 29 1HB PHE 5 2HB PHE 5 4.331 4.856 2.081 30 2HB PHE 5 1HB PHE 5 3.564 4.931 3.663 31 HD1 PHE 5 1HD PHE 5 4.381 3.394 5.508 32 HD2 PHE 5 2HD PHE 5 6.479 3.881 1.792 33 HE1 PHE 5 1HE PHE 5 6.429 2.448 6.539 34 HE2 PHE 5 2HE PHE 5 8.525 2.934 2.821 35 HZ PHE 5 HZ PHE 5 8.500 2.217 5.197 36 H TRP 6 H TRP 6 1.856 1.603 4.174 37 HA TRP 6 HA TRP 6 3.546 -0.756 3.644 38 1HB TRP 6 2HB TRP 6 4.851 0.783 5.162 39 2HB TRP 6 1HB TRP 6 3.564 0.619 6.356 40 HD1 TRP 6 HD TRP 6 3.904 -1.242 8.039 41 HE1 TRP 6 1HE TRP 6 5.268 -3.428 8.132 42 HE3 TRP 6 3HE TRP 6 5.883 -1.246 3.332 43 HZ2 TRP 6 2HZ TRP 6 6.975 -4.974 6.433 44 HZ3 TRP 6 3HZ TRP 6 7.373 -3.084 2.596 45 HH2 TRP 6 HH TRP 6 7.922 -4.945 4.139 46 H TRP 7 H TRP 7 0.862 -0.695 3.268 47 HA TRP 7 HA TRP 7 -0.314 -1.977 5.713 48 1HB TRP 7 2HB TRP 7 -1.345 -0.231 3.499 49 2HB TRP 7 1HB TRP 7 -2.458 -1.356 4.277 50 HD1 TRP 7 HD TRP 7 0.075 -0.367 6.713 51 HE1 TRP 7 1HE TRP 7 -0.830 1.451 8.306 52 HE3 TRP 7 3HE TRP 7 -4.119 1.019 4.158 53 HZ2 TRP 7 2HZ TRP 7 -3.047 3.254 8.469 54 HZ3 TRP 7 3HZ TRP 7 -5.609 2.789 5.054 55 HH2 TRP 7 HH TRP 7 -5.077 3.907 7.203 56 H LYS 8 H LYS 8 -1.823 -3.826 5.193 57 HA LYS 8 HA LYS 8 -0.741 -5.900 3.741 58 1HB LYS 8 2HB LYS 8 -3.347 -6.400 3.288 59 2HB LYS 8 1HB LYS 8 -2.617 -6.582 4.873 60 1HG LYS 8 2HG LYS 8 -3.694 -4.739 5.721 61 2HG LYS 8 1HG LYS 8 -3.612 -3.865 4.190 62 1HD LYS 8 2HD LYS 8 -5.434 -6.238 4.680 63 2HD LYS 8 1HD LYS 8 -5.946 -4.557 4.845 64 1HE LYS 8 2HE LYS 8 -5.053 -4.249 2.428 65 2HE LYS 8 1HE LYS 8 -5.101 -6.022 2.341 66 1HZ LYS 8 1HZ LYS 8 -7.295 -4.120 2.583 67 2HZ LYS 8 2HZ LYS 8 -7.430 -5.538 3.508 68 3HZ LYS 8 3HZ LYS 8 -7.255 -5.635 1.821 69 H CYS 9 H CYS 9 -1.145 -6.755 1.576 70 HA CYS 9 HA CYS 9 -2.366 -4.961 -0.422 71 1HB CYS 9 2HB CYS 9 -0.202 -4.663 -1.619 72 2HB CYS 9 1HB CYS 9 -0.171 -3.951 -0.006 73 H ASN 10 H ASN 10 -1.568 -5.896 -2.722 74 HA ASN 10 HA ASN 10 -1.218 -8.825 -2.716 75 1HB ASN 10 2HB ASN 10 -3.769 -7.651 -2.627 76 2HB ASN 10 1HB ASN 10 -3.537 -8.089 -4.321 77 1HD2 ASN 10 1HD2 ASN 10 -5.437 -9.493 -2.723 78 2HD2 ASN 10 2HD2 ASN 10 -4.881 -11.078 -2.484 79 HA PRO 11 HA PRO 11 0.968 -7.284 -6.291 80 1HB PRO 11 2HB PRO 11 1.788 -9.753 -7.185 81 2HB PRO 11 1HB PRO 11 2.582 -8.880 -5.857 82 1HG PRO 11 2HG PRO 11 0.540 -11.060 -5.726 83 2HG PRO 11 1HG PRO 11 2.026 -10.852 -4.780 84 1HD PRO 11 2HD PRO 11 -0.365 -10.207 -3.760 85 2HD PRO 11 1HD PRO 11 1.083 -9.238 -3.401 86 H ASN 12 H ASN 12 -1.722 -9.447 -6.185 87 HA ASN 12 HA ASN 12 -2.062 -9.585 -9.113 88 1HB ASN 12 2HB ASN 12 -2.692 -11.294 -7.212 89 2HB ASN 12 1HB ASN 12 -4.130 -10.289 -7.038 90 1HD2 ASN 12 1HD2 ASN 12 -5.165 -12.444 -7.843 91 2HD2 ASN 12 2HD2 ASN 12 -5.299 -12.641 -9.523 92 H ASP 13 H ASP 13 -3.079 -7.637 -6.414 93 HA ASP 13 HA ASP 13 -4.505 -5.798 -8.260 94 1HB ASP 13 2HB ASP 13 -5.652 -7.402 -5.999 95 2HB ASP 13 1HB ASP 13 -6.292 -5.784 -6.289 96 H ASP 14 H ASP 14 -2.050 -5.265 -7.239 97 HA ASP 14 HA ASP 14 -1.542 -4.246 -4.748 98 1HB ASP 14 2HB ASP 14 -1.010 -2.846 -7.389 99 2HB ASP 14 1HB ASP 14 -0.080 -2.643 -5.903 100 H LYS 15 H LYS 15 -2.869 -3.035 -3.445 101 HA LYS 15 HA LYS 15 -4.605 -0.955 -4.698 102 1HB LYS 15 2HB LYS 15 -5.355 -2.880 -3.105 103 2HB LYS 15 1HB LYS 15 -4.656 -1.881 -1.830 104 1HG LYS 15 2HG LYS 15 -6.843 -1.092 -1.843 105 2HG LYS 15 1HG LYS 15 -6.081 0.030 -2.971 106 1HD LYS 15 2HD LYS 15 -6.826 -2.227 -4.501 107 2HD LYS 15 1HD LYS 15 -8.206 -1.860 -3.465 108 1HE LYS 15 2HE LYS 15 -6.895 0.484 -4.747 109 2HE LYS 15 1HE LYS 15 -7.803 -0.596 -5.824 110 1HZ LYS 15 1HZ LYS 15 -8.838 0.436 -3.240 111 2HZ LYS 15 2HZ LYS 15 -9.697 -0.461 -4.398 112 3HZ LYS 15 3HZ LYS 15 -9.202 1.126 -4.745 113 H CYS 16 H CYS 16 -1.859 -1.381 -2.552 114 HA CYS 16 HA CYS 16 -1.822 0.942 -1.019 115 1HB CYS 16 2HB CYS 16 -0.097 -0.891 -1.109 116 2HB CYS 16 1HB CYS 16 0.509 -0.187 -2.609 117 H CYS 17 H CYS 17 -1.329 3.124 -1.409 118 HA CYS 17 HA CYS 17 -2.059 4.408 -3.757 119 1HB CYS 17 2HB CYS 17 0.213 5.157 -1.883 120 2HB CYS 17 1HB CYS 17 -0.712 6.272 -2.885 121 H ARG 18 H ARG 18 -0.650 5.402 -5.498 122 HA ARG 18 HA ARG 18 1.633 3.564 -6.137 123 1HB ARG 18 2HB ARG 18 0.530 5.109 -8.363 124 2HB ARG 18 1HB ARG 18 0.777 3.373 -8.223 125 1HG ARG 18 2HG ARG 18 -1.551 4.884 -7.002 126 2HG ARG 18 1HG ARG 18 -1.620 3.984 -8.513 127 1HD ARG 18 2HD ARG 18 -0.571 2.543 -6.109 128 2HD ARG 18 1HD ARG 18 -2.321 2.826 -6.211 129 HE ARG 18 HE ARG 18 -0.759 1.101 -7.995 130 1HH1 ARG 18 1HH2 ARG 18 -3.751 1.267 -6.838 131 2HH1 ARG 18 2HH2 ARG 18 -4.603 1.218 -8.346 132 1HH2 ARG 18 1HH1 ARG 18 -1.776 1.798 -10.266 133 2HH2 ARG 18 2HH1 ARG 18 -3.486 1.518 -10.285 134 HA PRO 19 HA PRO 19 3.034 8.090 -6.270 135 1HB PRO 19 2HB PRO 19 3.951 8.560 -3.736 136 2HB PRO 19 1HB PRO 19 2.290 8.939 -4.235 137 1HG PRO 19 2HG PRO 19 3.311 6.663 -2.635 138 2HG PRO 19 1HG PRO 19 1.777 7.533 -2.514 139 1HD PRO 19 2HD PRO 19 2.103 5.059 -3.704 140 2HD PRO 19 1HD PRO 19 0.756 6.176 -4.010 141 H LYS 20 H LYS 20 4.172 5.227 -4.617 142 HA LYS 20 HA LYS 20 6.564 4.880 -6.053 143 1HB LYS 20 2HB LYS 20 6.607 7.060 -4.160 144 2HB LYS 20 1HB LYS 20 7.765 5.827 -3.657 145 1HG LYS 20 2HG LYS 20 8.345 5.856 -6.268 146 2HG LYS 20 1HG LYS 20 7.734 7.506 -6.123 147 1HD LYS 20 2HD LYS 20 9.312 7.948 -4.292 148 2HD LYS 20 1HD LYS 20 9.905 6.289 -4.390 149 1HE LYS 20 2HE LYS 20 9.964 7.556 -7.008 150 2HE LYS 20 1HE LYS 20 10.910 8.478 -5.823 151 1HZ LYS 20 1HZ LYS 20 12.146 6.596 -6.862 152 2HZ LYS 20 2HZ LYS 20 11.057 5.527 -6.115 153 3HZ LYS 20 3HZ LYS 20 12.064 6.517 -5.169 154 H LEU 21 H LEU 21 4.616 3.197 -4.918 155 HA LEU 21 HA LEU 21 6.267 1.609 -2.983 156 1HB LEU 21 2HB LEU 21 3.350 2.422 -2.768 157 2HB LEU 21 1HB LEU 21 4.132 1.276 -1.690 158 HG LEU 21 HG LEU 21 5.803 3.572 -1.797 159 1HD1 LEU 21 1HD1 LEU 21 3.753 4.742 -2.645 160 2HD1 LEU 21 2HD1 LEU 21 4.301 5.347 -1.082 161 3HD1 LEU 21 3HD1 LEU 21 2.917 4.258 -1.169 162 1HD2 LEU 21 1HD2 LEU 21 4.731 3.726 0.640 163 2HD2 LEU 21 2HD2 LEU 21 5.829 2.415 0.210 164 3HD2 LEU 21 3HD2 LEU 21 4.086 2.144 0.197 165 H LYS 22 H LYS 22 5.276 -0.615 -2.736 166 HA LYS 22 HA LYS 22 3.515 -1.616 -4.808 167 1HB LYS 22 2HB LYS 22 6.077 -1.266 -5.589 168 2HB LYS 22 1HB LYS 22 6.217 -2.866 -4.858 169 1HG LYS 22 2HG LYS 22 5.683 -3.041 -7.260 170 2HG LYS 22 1HG LYS 22 4.371 -3.684 -6.273 171 1HD LYS 22 2HD LYS 22 3.916 -0.883 -6.619 172 2HD LYS 22 1HD LYS 22 4.254 -1.581 -8.204 173 1HE LYS 22 2HE LYS 22 2.589 -3.482 -7.322 174 2HE LYS 22 1HE LYS 22 1.979 -2.133 -6.343 175 1HZ LYS 22 1HZ LYS 22 0.881 -2.094 -8.464 176 2HZ LYS 22 2HZ LYS 22 2.365 -2.159 -9.289 177 3HZ LYS 22 3HZ LYS 22 1.949 -0.778 -8.391 178 H CYS 23 H CYS 23 2.621 -3.600 -4.122 179 HA CYS 23 HA CYS 23 2.645 -4.394 -1.471 180 1HB CYS 23 2HB CYS 23 1.192 -5.229 -3.369 181 2HB CYS 23 1HB CYS 23 2.527 -6.271 -3.856 182 H SER 24 H SER 24 3.740 -6.120 -0.319 183 HA SER 24 HA SER 24 6.350 -7.005 -1.475 184 1HB SER 24 2HB SER 24 5.880 -5.025 0.551 185 2HB SER 24 1HB SER 24 6.676 -6.407 1.293 186 HG SER 24 HG SER 24 8.071 -6.236 -0.718 187 H LYS 25 H LYS 25 6.297 -9.198 -1.345 188 HA LYS 25 HA LYS 25 4.500 -10.727 0.269 189 1HB LYS 25 2HB LYS 25 6.483 -11.069 -1.742 190 2HB LYS 25 1HB LYS 25 6.899 -12.160 -0.419 191 1HG LYS 25 2HG LYS 25 4.140 -12.426 -0.637 192 2HG LYS 25 1HG LYS 25 4.681 -12.309 -2.312 193 1HD LYS 25 2HD LYS 25 6.255 -14.125 -1.994 194 2HD LYS 25 1HD LYS 25 5.907 -14.177 -0.266 195 1HE LYS 25 2HE LYS 25 4.041 -15.436 -0.585 196 2HE LYS 25 1HE LYS 25 3.492 -14.413 -1.929 197 1HZ LYS 25 1HZ LYS 25 4.894 -15.498 -3.428 198 2HZ LYS 25 2HZ LYS 25 4.249 -16.767 -2.499 199 3HZ LYS 25 3HZ LYS 25 5.826 -16.209 -2.203 200 H LEU 26 H LEU 26 7.662 -9.369 0.912 201 HA LEU 26 HA LEU 26 8.714 -10.953 2.938 202 1HB LEU 26 2HB LEU 26 8.612 -8.045 2.292 203 2HB LEU 26 1HB LEU 26 9.210 -8.477 3.892 204 HG LEU 26 HG LEU 26 11.033 -8.343 2.198 205 1HD1 LEU 26 1HD1 LEU 26 12.091 -9.911 3.419 206 2HD1 LEU 26 2HD1 LEU 26 11.148 -11.199 2.670 207 3HD1 LEU 26 3HD1 LEU 26 10.525 -10.363 4.092 208 1HD2 LEU 26 1HD2 LEU 26 11.117 -9.771 0.327 209 2HD2 LEU 26 2HD2 LEU 26 9.425 -9.279 0.371 210 3HD2 LEU 26 3HD2 LEU 26 9.900 -10.862 0.990 211 H PHE 27 H PHE 27 6.064 -8.584 3.213 212 HA PHE 27 HA PHE 27 5.267 -9.901 5.775 213 1HB PHE 27 2HB PHE 27 5.975 -7.040 5.220 214 2HB PHE 27 1HB PHE 27 4.730 -7.398 6.418 215 HD1 PHE 27 1HD PHE 27 5.324 -8.058 8.595 216 HD2 PHE 27 2HD PHE 27 8.230 -8.275 5.446 217 HE1 PHE 27 1HE PHE 27 7.074 -8.629 10.249 218 HE2 PHE 27 2HE PHE 27 9.986 -8.849 7.098 219 HZ PHE 27 HZ PHE 27 9.406 -9.027 9.506 220 H LYS 28 H LYS 28 4.365 -9.302 2.736 221 HA LYS 28 HA LYS 28 2.231 -9.274 1.700 222 1HB LYS 28 2HB LYS 28 0.910 -9.189 4.392 223 2HB LYS 28 1HB LYS 28 0.485 -10.142 2.973 224 1HG LYS 28 2HG LYS 28 2.955 -11.162 3.594 225 2HG LYS 28 1HG LYS 28 2.314 -10.788 5.194 226 1HD LYS 28 2HD LYS 28 0.153 -11.962 4.387 227 2HD LYS 28 1HD LYS 28 1.156 -12.619 3.094 228 1HE LYS 28 2HE LYS 28 2.597 -12.952 5.541 229 2HE LYS 28 1HE LYS 28 0.948 -13.560 5.788 230 1HZ LYS 28 1HZ LYS 28 2.287 -14.144 3.247 231 2HZ LYS 28 2HZ LYS 28 1.137 -15.061 4.098 232 3HZ LYS 28 3HZ LYS 28 2.756 -15.035 4.612 233 H LEU 29 H LEU 29 3.702 -6.842 2.828 234 HA LEU 29 HA LEU 29 1.332 -4.990 2.922 235 1HB LEU 29 2HB LEU 29 4.019 -4.267 4.061 236 2HB LEU 29 1HB LEU 29 2.416 -3.756 4.581 237 HG LEU 29 HG LEU 29 3.480 -6.574 4.911 238 1HD1 LEU 29 1HD1 LEU 29 3.586 -4.139 6.653 239 2HD1 LEU 29 2HD1 LEU 29 4.781 -5.419 6.446 240 3HD1 LEU 29 3HD1 LEU 29 3.336 -5.710 7.416 241 1HD2 LEU 29 1HD2 LEU 29 1.095 -6.603 4.864 242 2HD2 LEU 29 2HD2 LEU 29 0.984 -5.114 5.802 243 3HD2 LEU 29 3HD2 LEU 29 1.523 -6.604 6.575 244 H CYS 30 H CYS 30 1.968 -2.733 2.074 245 HA CYS 30 HA CYS 30 3.494 -3.127 -0.425 246 1HB CYS 30 2HB CYS 30 2.155 -1.430 -1.232 247 2HB CYS 30 1HB CYS 30 1.110 -2.066 0.024 248 H ASN 31 H ASN 31 5.537 -2.408 -0.651 249 HA ASN 31 HA ASN 31 6.690 -0.670 1.485 250 1HB ASN 31 2HB ASN 31 7.540 -2.994 0.482 251 2HB ASN 31 1HB ASN 31 8.286 -1.931 -0.708 252 1HD2 ASN 31 1HD2 ASN 31 8.376 0.197 1.611 253 2HD2 ASN 31 2HD2 ASN 31 9.766 -0.253 2.476 254 H PHE 32 H PHE 32 8.894 0.189 -0.241 255 HA PHE 32 HA PHE 32 7.492 2.406 -1.665 256 1HB PHE 32 2HB PHE 32 9.675 2.176 0.061 257 2HB PHE 32 1HB PHE 32 10.406 2.461 -1.515 258 HD1 PHE 32 1HD PHE 32 7.247 3.663 0.117 259 HD2 PHE 32 2HD PHE 32 10.951 4.709 -1.787 260 HE1 PHE 32 1HE PHE 32 6.642 6.064 0.259 261 HE2 PHE 32 2HE PHE 32 10.347 7.110 -1.645 262 HZ PHE 32 HZ PHE 32 8.192 7.788 -0.621 263 H SER 33 H SER 33 9.120 -0.515 -2.277 264 HA SER 33 HA SER 33 9.331 0.141 -5.178 265 1HB SER 33 2HB SER 33 11.548 -1.383 -4.712 266 2HB SER 33 1HB SER 33 11.551 0.378 -4.718 267 HG SER 33 HG SER 33 11.266 0.339 -2.487 268 H PHE 34 H PHE 34 10.515 -2.688 -3.414 269 HA PHE 34 HA PHE 34 8.596 -4.377 -4.968 270 1HB PHE 34 2HB PHE 34 11.392 -4.588 -3.982 271 2HB PHE 34 1HB PHE 34 10.451 -6.080 -3.950 272 HD1 PHE 34 1HD PHE 34 10.806 -7.417 -5.819 273 HD2 PHE 34 2HD PHE 34 10.696 -3.128 -6.273 274 HE1 PHE 34 1HE PHE 34 11.126 -7.668 -8.275 275 HE2 PHE 34 2HE PHE 34 11.016 -3.380 -8.729 276 HZ PHE 34 HZ PHE 34 11.229 -5.650 -9.730 277 1HN NH2 35 1HN NH2 35 7.143 -3.270 -2.921 278 2HN NH2 35 2HN NH2 35 7.005 -4.388 -1.537 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -9.405 7.716 0.455 2 2H GLY 1 2HT GLY 1 -8.012 8.391 1.155 3 3H GLY 1 3HT GLY 1 -8.307 6.722 1.279 4 1HA GLY 1 2HA GLY 1 -8.342 7.345 -1.434 5 2HA GLY 1 1HA GLY 1 -6.914 8.107 -0.730 6 H CYS 2 H CYS 2 -5.696 6.462 -1.999 7 HA CYS 2 HA CYS 2 -5.858 3.686 -1.793 8 1HB CYS 2 2HB CYS 2 -3.292 3.874 -2.034 9 2HB CYS 2 1HB CYS 2 -4.272 4.670 -3.259 10 H LEU 3 H LEU 3 -3.957 2.416 -0.551 11 HA LEU 3 HA LEU 3 -4.581 2.645 2.292 12 1HB LEU 3 2HB LEU 3 -2.806 0.901 0.570 13 2HB LEU 3 1HB LEU 3 -2.910 0.696 2.319 14 HG LEU 3 HG LEU 3 -5.519 0.724 1.822 15 1HD1 LEU 3 1HD1 LEU 3 -5.380 1.164 -0.552 16 2HD1 LEU 3 2HD1 LEU 3 -5.929 -0.500 -0.344 17 3HD1 LEU 3 3HD1 LEU 3 -4.252 -0.174 -0.781 18 1HD2 LEU 3 1HD2 LEU 3 -4.743 -1.892 1.023 19 2HD2 LEU 3 2HD2 LEU 3 -5.183 -1.348 2.643 20 3HD2 LEU 3 3HD2 LEU 3 -3.498 -1.302 2.124 21 H GLU 4 H GLU 4 -2.155 1.985 3.491 22 HA GLU 4 HA GLU 4 -0.763 4.597 3.443 23 1HB GLU 4 2HB GLU 4 -1.301 2.405 5.282 24 2HB GLU 4 1HB GLU 4 0.400 2.868 5.318 25 1HG GLU 4 2HG GLU 4 -0.893 5.311 5.261 26 2HG GLU 4 1HG GLU 4 -1.951 4.334 6.279 27 H PHE 5 H PHE 5 1.783 3.987 4.130 28 HA PHE 5 HA PHE 5 2.905 2.920 1.635 29 1HB PHE 5 2HB PHE 5 4.270 4.628 2.266 30 2HB PHE 5 1HB PHE 5 3.658 4.599 3.915 31 HD1 PHE 5 1HD PHE 5 4.551 2.775 5.497 32 HD2 PHE 5 2HD PHE 5 6.411 3.776 1.757 33 HE1 PHE 5 1HE PHE 5 6.657 1.710 6.259 34 HE2 PHE 5 2HE PHE 5 8.516 2.710 2.519 35 HZ PHE 5 HZ PHE 5 8.639 1.677 4.770 36 H TRP 6 H TRP 6 1.647 1.357 4.200 37 HA TRP 6 HA TRP 6 3.312 -1.026 3.768 38 1HB TRP 6 2HB TRP 6 4.533 0.460 5.410 39 2HB TRP 6 1HB TRP 6 3.162 0.285 6.504 40 HD1 TRP 6 HD TRP 6 3.271 -1.677 8.109 41 HE1 TRP 6 1HE TRP 6 4.627 -3.866 8.260 42 HE3 TRP 6 3HE TRP 6 5.782 -1.462 3.671 43 HZ2 TRP 6 2HZ TRP 6 6.527 -5.331 6.700 44 HZ3 TRP 6 3HZ TRP 6 7.360 -3.265 3.028 45 HH2 TRP 6 HH TRP 6 7.734 -5.198 4.537 46 H TRP 7 H TRP 7 0.659 -0.877 3.186 47 HA TRP 7 HA TRP 7 -0.751 -2.130 5.520 48 1HB TRP 7 2HB TRP 7 -1.528 -0.385 3.209 49 2HB TRP 7 1HB TRP 7 -2.733 -1.508 3.839 50 HD1 TRP 7 HD TRP 7 -0.432 -0.493 6.518 51 HE1 TRP 7 1HE TRP 7 -1.516 1.293 8.031 52 HE3 TRP 7 3HE TRP 7 -4.446 0.788 3.634 53 HZ2 TRP 7 2HZ TRP 7 -3.785 3.036 8.017 54 HZ3 TRP 7 3HZ TRP 7 -6.050 2.512 4.405 55 HH2 TRP 7 HH TRP 7 -5.726 3.637 6.590 56 H LYS 8 H LYS 8 -2.235 -3.962 4.894 57 HA LYS 8 HA LYS 8 -1.072 -6.112 3.657 58 1HB LYS 8 2HB LYS 8 -3.633 -6.507 2.855 59 2HB LYS 8 1HB LYS 8 -3.097 -6.728 4.511 60 1HG LYS 8 2HG LYS 8 -3.959 -4.617 5.182 61 2HG LYS 8 1HG LYS 8 -4.101 -4.057 3.516 62 1HD LYS 8 2HD LYS 8 -6.308 -4.622 3.937 63 2HD LYS 8 1HD LYS 8 -5.713 -6.160 3.309 64 1HE LYS 8 2HE LYS 8 -5.101 -6.157 6.078 65 2HE LYS 8 1HE LYS 8 -6.780 -5.601 5.928 66 1HZ LYS 8 1HZ LYS 8 -6.351 -8.114 5.904 67 2HZ LYS 8 2HZ LYS 8 -5.775 -7.869 4.325 68 3HZ LYS 8 3HZ LYS 8 -7.381 -7.475 4.718 69 H CYS 9 H CYS 9 -1.013 -6.986 1.536 70 HA CYS 9 HA CYS 9 -2.004 -5.374 -0.730 71 1HB CYS 9 2HB CYS 9 0.195 -4.793 -1.539 72 2HB CYS 9 1HB CYS 9 0.124 -4.319 0.159 73 H ASN 10 H ASN 10 -1.360 -6.418 -2.846 74 HA ASN 10 HA ASN 10 -0.543 -9.260 -2.638 75 1HB ASN 10 2HB ASN 10 -2.602 -9.539 -4.301 76 2HB ASN 10 1HB ASN 10 -2.836 -9.613 -2.559 77 1HD2 ASN 10 1HD2 ASN 10 -2.516 -6.925 -4.963 78 2HD2 ASN 10 2HD2 ASN 10 -3.884 -6.085 -4.415 79 HA PRO 11 HA PRO 11 1.687 -7.685 -6.187 80 1HB PRO 11 2HB PRO 11 2.888 -10.076 -6.818 81 2HB PRO 11 1HB PRO 11 3.460 -9.007 -5.519 82 1HG PRO 11 2HG PRO 11 1.721 -11.432 -5.340 83 2HG PRO 11 1HG PRO 11 3.089 -10.952 -4.319 84 1HD PRO 11 2HD PRO 11 0.557 -10.571 -3.522 85 2HD PRO 11 1HD PRO 11 1.836 -9.396 -3.137 86 H ASN 12 H ASN 12 -0.871 -7.874 -6.785 87 HA ASN 12 HA ASN 12 -0.943 -9.160 -9.427 88 1HB ASN 12 2HB ASN 12 -1.551 -11.009 -7.946 89 2HB ASN 12 1HB ASN 12 -2.723 -9.992 -7.107 90 1HD2 ASN 12 1HD2 ASN 12 -4.807 -9.769 -8.038 91 2HD2 ASN 12 2HD2 ASN 12 -5.261 -10.496 -9.503 92 H ASP 13 H ASP 13 -2.700 -7.522 -6.824 93 HA ASP 13 HA ASP 13 -3.674 -5.476 -8.711 94 1HB ASP 13 2HB ASP 13 -5.227 -7.635 -8.446 95 2HB ASP 13 1HB ASP 13 -5.718 -6.809 -6.967 96 H ASP 14 H ASP 14 -1.814 -5.277 -6.664 97 HA ASP 14 HA ASP 14 -2.687 -4.648 -4.064 98 1HB ASP 14 2HB ASP 14 -0.627 -3.159 -4.112 99 2HB ASP 14 1HB ASP 14 -0.355 -4.814 -4.661 100 H LYS 15 H LYS 15 -3.214 -2.601 -3.078 101 HA LYS 15 HA LYS 15 -4.360 -0.598 -4.994 102 1HB LYS 15 2HB LYS 15 -5.885 -2.047 -3.520 103 2HB LYS 15 1HB LYS 15 -5.242 -1.140 -2.151 104 1HG LYS 15 2HG LYS 15 -6.632 0.574 -2.594 105 2HG LYS 15 1HG LYS 15 -5.983 0.704 -4.229 106 1HD LYS 15 2HD LYS 15 -7.909 -0.116 -5.049 107 2HD LYS 15 1HD LYS 15 -7.636 -1.613 -4.157 108 1HE LYS 15 2HE LYS 15 -8.540 -0.163 -2.111 109 2HE LYS 15 1HE LYS 15 -9.330 0.744 -3.417 110 1HZ LYS 15 1HZ LYS 15 -10.644 -1.194 -2.640 111 2HZ LYS 15 2HZ LYS 15 -9.390 -2.217 -3.160 112 3HZ LYS 15 3HZ LYS 15 -10.244 -1.275 -4.286 113 H CYS 16 H CYS 16 -1.979 -1.131 -2.616 114 HA CYS 16 HA CYS 16 -1.829 1.162 -1.055 115 1HB CYS 16 2HB CYS 16 -0.215 -0.815 -1.229 116 2HB CYS 16 1HB CYS 16 0.506 0.005 -2.616 117 H CYS 17 H CYS 17 -1.170 3.323 -1.418 118 HA CYS 17 HA CYS 17 -1.843 4.730 -3.679 119 1HB CYS 17 2HB CYS 17 0.625 5.181 -1.964 120 2HB CYS 17 1HB CYS 17 -0.238 6.412 -2.878 121 H ARG 18 H ARG 18 -0.642 5.467 -5.595 122 HA ARG 18 HA ARG 18 1.498 3.531 -6.392 123 1HB ARG 18 2HB ARG 18 0.730 4.265 -8.713 124 2HB ARG 18 1HB ARG 18 -0.453 3.374 -7.755 125 1HG ARG 18 2HG ARG 18 -0.450 6.324 -7.408 126 2HG ARG 18 1HG ARG 18 -1.019 5.727 -8.967 127 1HD ARG 18 2HD ARG 18 -2.041 4.440 -6.443 128 2HD ARG 18 1HD ARG 18 -2.747 5.971 -7.000 129 HE ARG 18 HE ARG 18 -3.285 4.856 -9.144 130 1HH1 ARG 18 1HH1 ARG 18 -4.103 3.203 -6.517 131 2HH1 ARG 18 2HH1 ARG 18 -3.925 1.605 -7.161 132 1HH2 ARG 18 1HH2 ARG 18 -2.231 2.649 -9.999 133 2HH2 ARG 18 2HH2 ARG 18 -2.868 1.293 -9.132 134 HA PRO 19 HA PRO 19 3.130 8.006 -6.855 135 1HB PRO 19 2HB PRO 19 4.065 8.703 -4.384 136 2HB PRO 19 1HB PRO 19 2.429 9.113 -4.937 137 1HG PRO 19 2HG PRO 19 3.322 6.969 -3.092 138 2HG PRO 19 1HG PRO 19 1.845 7.942 -3.065 139 1HD PRO 19 2HD PRO 19 1.996 5.347 -3.972 140 2HD PRO 19 1HD PRO 19 0.735 6.511 -4.429 141 H LYS 20 H LYS 20 4.118 5.261 -4.919 142 HA LYS 20 HA LYS 20 6.517 4.735 -6.309 143 1HB LYS 20 2HB LYS 20 8.075 5.660 -4.418 144 2HB LYS 20 1HB LYS 20 7.448 6.785 -5.622 145 1HG LYS 20 2HG LYS 20 5.898 7.717 -4.140 146 2HG LYS 20 1HG LYS 20 5.889 6.292 -3.099 147 1HD LYS 20 2HD LYS 20 8.104 6.808 -2.267 148 2HD LYS 20 1HD LYS 20 8.278 8.126 -3.426 149 1HE LYS 20 2HE LYS 20 7.623 9.292 -1.495 150 2HE LYS 20 1HE LYS 20 6.051 9.007 -2.269 151 1HZ LYS 20 1HZ LYS 20 5.601 8.039 -0.288 152 2HZ LYS 20 2HZ LYS 20 7.232 7.714 0.062 153 3HZ LYS 20 3HZ LYS 20 6.369 6.708 -1.003 154 H LEU 21 H LEU 21 4.377 3.311 -4.917 155 HA LEU 21 HA LEU 21 6.045 1.737 -2.980 156 1HB LEU 21 2HB LEU 21 3.089 2.383 -2.806 157 2HB LEU 21 1HB LEU 21 4.020 1.478 -1.616 158 HG LEU 21 HG LEU 21 5.308 4.008 -2.198 159 1HD1 LEU 21 1HD1 LEU 21 2.661 4.340 -2.540 160 2HD1 LEU 21 2HD1 LEU 21 3.672 5.565 -1.771 161 3HD1 LEU 21 3HD1 LEU 21 2.726 4.453 -0.780 162 1HD2 LEU 21 1HD2 LEU 21 5.923 3.063 -0.176 163 2HD2 LEU 21 2HD2 LEU 21 4.304 2.442 0.144 164 3HD2 LEU 21 3HD2 LEU 21 4.656 4.153 0.388 165 H LYS 22 H LYS 22 5.213 -0.519 -2.743 166 HA LYS 22 HA LYS 22 3.430 -1.582 -4.770 167 1HB LYS 22 2HB LYS 22 5.484 -1.211 -6.056 168 2HB LYS 22 1HB LYS 22 6.415 -2.103 -4.852 169 1HG LYS 22 2HG LYS 22 6.044 -3.883 -6.223 170 2HG LYS 22 1HG LYS 22 4.461 -3.917 -5.445 171 1HD LYS 22 2HD LYS 22 3.822 -2.163 -7.292 172 2HD LYS 22 1HD LYS 22 5.220 -2.826 -8.140 173 1HE LYS 22 2HE LYS 22 3.925 -5.114 -7.283 174 2HE LYS 22 1HE LYS 22 2.577 -4.035 -7.694 175 1HZ LYS 22 1HZ LYS 22 3.577 -3.570 -9.808 176 2HZ LYS 22 2HZ LYS 22 3.460 -5.257 -9.638 177 3HZ LYS 22 3HZ LYS 22 4.955 -4.481 -9.419 178 H CYS 23 H CYS 23 2.619 -3.581 -4.081 179 HA CYS 23 HA CYS 23 2.695 -4.476 -1.491 180 1HB CYS 23 2HB CYS 23 1.318 -5.389 -3.381 181 2HB CYS 23 1HB CYS 23 2.739 -6.265 -3.943 182 H SER 24 H SER 24 4.004 -5.808 -0.217 183 HA SER 24 HA SER 24 6.632 -6.655 -1.389 184 1HB SER 24 2HB SER 24 5.954 -4.814 0.767 185 2HB SER 24 1HB SER 24 7.006 -6.106 1.333 186 HG SER 24 HG SER 24 8.528 -4.995 0.411 187 H LYS 25 H LYS 25 6.587 -8.874 -1.339 188 HA LYS 25 HA LYS 25 4.862 -10.451 0.314 189 1HB LYS 25 2HB LYS 25 6.309 -10.872 -1.894 190 2HB LYS 25 1HB LYS 25 7.466 -11.504 -0.720 191 1HG LYS 25 2HG LYS 25 6.100 -13.258 -0.104 192 2HG LYS 25 1HG LYS 25 4.619 -12.366 -0.456 193 1HD LYS 25 2HD LYS 25 4.725 -13.966 -2.187 194 2HD LYS 25 1HD LYS 25 5.368 -12.502 -2.933 195 1HE LYS 25 2HE LYS 25 7.693 -13.321 -2.294 196 2HE LYS 25 1HE LYS 25 6.936 -14.870 -1.869 197 1HZ LYS 25 1HZ LYS 25 7.719 -14.269 -4.344 198 2HZ LYS 25 2HZ LYS 25 6.118 -13.702 -4.401 199 3HZ LYS 25 3HZ LYS 25 6.435 -15.324 -4.006 200 H LEU 26 H LEU 26 7.807 -8.823 1.025 201 HA LEU 26 HA LEU 26 9.079 -10.483 2.911 202 1HB LEU 26 2HB LEU 26 8.711 -7.534 2.494 203 2HB LEU 26 1HB LEU 26 9.520 -8.084 3.963 204 HG LEU 26 HG LEU 26 10.463 -9.462 1.553 205 1HD1 LEU 26 1HD1 LEU 26 11.021 -6.495 1.843 206 2HD1 LEU 26 2HD1 LEU 26 9.959 -7.193 0.621 207 3HD1 LEU 26 3HD1 LEU 26 11.682 -7.574 0.614 208 1HD2 LEU 26 1HD2 LEU 26 11.923 -7.793 3.621 209 2HD2 LEU 26 2HD2 LEU 26 12.615 -9.037 2.578 210 3HD2 LEU 26 3HD2 LEU 26 11.489 -9.486 3.860 211 H PHE 27 H PHE 27 6.275 -8.325 3.333 212 HA PHE 27 HA PHE 27 5.664 -9.759 5.889 213 1HB PHE 27 2HB PHE 27 5.935 -6.814 5.320 214 2HB PHE 27 1HB PHE 27 4.892 -7.388 6.623 215 HD1 PHE 27 1HD PHE 27 8.362 -7.213 5.384 216 HD2 PHE 27 2HD PHE 27 5.806 -8.437 8.609 217 HE1 PHE 27 1HE PHE 27 10.344 -7.524 6.835 218 HE2 PHE 27 2HE PHE 27 7.787 -8.749 10.065 219 HZ PHE 27 HZ PHE 27 10.060 -8.292 9.178 220 H LYS 28 H LYS 28 4.638 -9.203 2.859 221 HA LYS 28 HA LYS 28 2.490 -9.457 1.877 222 1HB LYS 28 2HB LYS 28 1.262 -9.447 4.624 223 2HB LYS 28 1HB LYS 28 0.832 -10.422 3.222 224 1HG LYS 28 2HG LYS 28 3.439 -11.210 3.755 225 2HG LYS 28 1HG LYS 28 2.753 -10.983 5.363 226 1HD LYS 28 2HD LYS 28 1.715 -12.969 5.155 227 2HD LYS 28 1HD LYS 28 0.766 -12.296 3.828 228 1HE LYS 28 2HE LYS 28 1.796 -13.841 2.510 229 2HE LYS 28 1HE LYS 28 3.253 -12.838 2.666 230 1HZ LYS 28 1HZ LYS 28 2.406 -14.962 4.568 231 2HZ LYS 28 2HZ LYS 28 3.794 -13.993 4.716 232 3HZ LYS 28 3HZ LYS 28 3.662 -15.104 3.437 233 H LEU 29 H LEU 29 3.745 -6.881 2.804 234 HA LEU 29 HA LEU 29 1.243 -5.220 2.853 235 1HB LEU 29 2HB LEU 29 3.841 -4.484 4.215 236 2HB LEU 29 1HB LEU 29 2.228 -3.836 4.516 237 HG LEU 29 HG LEU 29 3.088 -6.688 5.087 238 1HD1 LEU 29 1HD1 LEU 29 4.158 -5.386 6.732 239 2HD1 LEU 29 2HD1 LEU 29 2.631 -5.825 7.497 240 3HD1 LEU 29 3HD1 LEU 29 2.835 -4.220 6.797 241 1HD2 LEU 29 1HD2 LEU 29 0.545 -5.640 4.630 242 2HD2 LEU 29 2HD2 LEU 29 0.686 -5.651 6.388 243 3HD2 LEU 29 3HD2 LEU 29 0.906 -7.144 5.477 244 H CYS 30 H CYS 30 1.669 -2.973 1.969 245 HA CYS 30 HA CYS 30 3.365 -3.170 -0.422 246 1HB CYS 30 2HB CYS 30 2.043 -1.418 -1.188 247 2HB CYS 30 1HB CYS 30 0.947 -2.207 -0.071 248 H ASN 31 H ASN 31 5.357 -2.264 -0.628 249 HA ASN 31 HA ASN 31 6.257 -0.395 1.546 250 1HB ASN 31 2HB ASN 31 7.173 -2.858 1.132 251 2HB ASN 31 1HB ASN 31 8.140 -2.045 -0.098 252 1HD2 ASN 31 1HD2 ASN 31 10.127 -2.352 1.161 253 2HD2 ASN 31 2HD2 ASN 31 10.424 -1.441 2.563 254 H PHE 32 H PHE 32 8.756 0.135 0.135 255 HA PHE 32 HA PHE 32 7.757 2.173 -1.770 256 1HB PHE 32 2HB PHE 32 9.329 2.986 -0.209 257 2HB PHE 32 1HB PHE 32 10.324 1.544 -0.338 258 HD1 PHE 32 1HD PHE 32 9.491 4.781 -1.854 259 HD2 PHE 32 2HD PHE 32 11.838 1.202 -2.231 260 HE1 PHE 32 1HE PHE 32 10.905 5.888 -3.567 261 HE2 PHE 32 2HE PHE 32 13.249 2.309 -3.943 262 HZ PHE 32 HZ PHE 32 12.784 4.651 -4.610 263 H SER 33 H SER 33 9.274 2.465 -3.745 264 HA SER 33 HA SER 33 10.727 0.317 -4.915 265 1HB SER 33 2HB SER 33 8.048 -0.285 -4.645 266 2HB SER 33 1HB SER 33 8.123 0.329 -6.292 267 HG SER 33 HG SER 33 8.559 -1.946 -6.101 268 H PHE 34 H PHE 34 11.943 1.512 -6.325 269 HA PHE 34 HA PHE 34 10.636 3.132 -8.400 270 1HB PHE 34 2HB PHE 34 10.782 4.513 -6.257 271 2HB PHE 34 1HB PHE 34 12.535 4.446 -6.441 272 HD1 PHE 34 1HD PHE 34 9.403 5.386 -8.267 273 HD2 PHE 34 2HD PHE 34 13.657 5.957 -7.849 274 HE1 PHE 34 1HE PHE 34 9.312 7.260 -9.904 275 HE2 PHE 34 2HE PHE 34 13.567 7.834 -9.484 276 HZ PHE 34 HZ PHE 34 11.394 8.484 -10.513 277 1HN NH2 35 1HN NH2 35 11.813 2.737 -10.319 278 2HN NH2 35 2HN NH2 35 13.564 2.403 -10.353 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -9.065 5.017 -0.444 2 2H GLY 1 2HT GLY 1 -10.317 5.247 -1.571 3 3H GLY 1 3HT GLY 1 -9.638 6.581 -0.767 4 1HA GLY 1 2HA GLY 1 -8.938 5.824 -3.225 5 2HA GLY 1 1HA GLY 1 -7.873 6.704 -2.127 6 H CYS 2 H CYS 2 -6.078 5.648 -1.295 7 HA CYS 2 HA CYS 2 -5.751 2.769 -2.043 8 1HB CYS 2 2HB CYS 2 -3.295 3.503 -2.223 9 2HB CYS 2 1HB CYS 2 -4.376 4.059 -3.490 10 H LEU 3 H LEU 3 -3.528 2.098 -0.707 11 HA LEU 3 HA LEU 3 -4.277 2.494 2.143 12 1HB LEU 3 2HB LEU 3 -2.354 0.559 0.817 13 2HB LEU 3 1HB LEU 3 -3.022 0.444 2.439 14 HG LEU 3 HG LEU 3 -4.860 0.561 0.065 15 1HD1 LEU 3 1HD1 LEU 3 -3.493 -1.276 -0.555 16 2HD1 LEU 3 2HD1 LEU 3 -4.860 -2.008 0.286 17 3HD1 LEU 3 3HD1 LEU 3 -3.314 -1.813 1.114 18 1HD2 LEU 3 1HD2 LEU 3 -4.989 -0.534 2.888 19 2HD2 LEU 3 2HD2 LEU 3 -6.234 -0.845 1.679 20 3HD2 LEU 3 3HD2 LEU 3 -5.917 0.806 2.215 21 H GLU 4 H GLU 4 -2.151 2.343 3.610 22 HA GLU 4 HA GLU 4 -0.543 4.697 3.003 23 1HB GLU 4 2HB GLU 4 -1.313 3.177 5.232 24 2HB GLU 4 1HB GLU 4 0.435 2.965 5.130 25 1HG GLU 4 2HG GLU 4 0.814 5.083 5.806 26 2HG GLU 4 1HG GLU 4 -0.326 5.727 4.625 27 H PHE 5 H PHE 5 1.994 4.081 3.776 28 HA PHE 5 HA PHE 5 3.011 2.655 1.429 29 1HB PHE 5 2HB PHE 5 4.755 4.049 1.809 30 2HB PHE 5 1HB PHE 5 3.795 4.750 3.107 31 HD1 PHE 5 1HD PHE 5 4.054 3.867 5.459 32 HD2 PHE 5 2HD PHE 5 6.681 2.711 2.263 33 HE1 PHE 5 1HE PHE 5 5.708 3.042 7.115 34 HE2 PHE 5 2HE PHE 5 8.334 1.890 3.918 35 HZ PHE 5 HZ PHE 5 7.848 2.054 6.344 36 H TRP 6 H TRP 6 1.666 1.295 3.979 37 HA TRP 6 HA TRP 6 3.400 -1.076 3.868 38 1HB TRP 6 2HB TRP 6 4.416 0.636 5.493 39 2HB TRP 6 1HB TRP 6 3.008 0.357 6.516 40 HD1 TRP 6 HD TRP 6 3.629 -1.238 8.384 41 HE1 TRP 6 1HE TRP 6 5.024 -3.397 8.588 42 HE3 TRP 6 3HE TRP 6 5.341 -1.628 3.599 43 HZ2 TRP 6 2HZ TRP 6 6.655 -5.070 6.934 44 HZ3 TRP 6 3HZ TRP 6 6.815 -3.508 2.933 45 HH2 TRP 6 HH TRP 6 7.473 -5.230 4.594 46 H TRP 7 H TRP 7 0.626 -0.669 3.239 47 HA TRP 7 HA TRP 7 -0.786 -2.002 5.521 48 1HB TRP 7 2HB TRP 7 -1.514 -0.218 3.228 49 2HB TRP 7 1HB TRP 7 -2.751 -1.301 3.866 50 HD1 TRP 7 HD TRP 7 -0.425 -0.389 6.554 51 HE1 TRP 7 1HE TRP 7 -1.430 1.447 8.060 52 HE3 TRP 7 3HE TRP 7 -4.356 1.086 3.646 53 HZ2 TRP 7 2HZ TRP 7 -3.610 3.298 8.033 54 HZ3 TRP 7 3HZ TRP 7 -5.879 2.886 4.412 55 HH2 TRP 7 HH TRP 7 -5.512 3.993 6.599 56 H LYS 8 H LYS 8 -2.244 -3.818 4.917 57 HA LYS 8 HA LYS 8 -1.178 -5.977 3.628 58 1HB LYS 8 2HB LYS 8 -3.870 -5.988 2.730 59 2HB LYS 8 1HB LYS 8 -3.213 -6.785 4.150 60 1HG LYS 8 2HG LYS 8 -3.692 -4.844 5.529 61 2HG LYS 8 1HG LYS 8 -4.165 -3.905 4.113 62 1HD LYS 8 2HD LYS 8 -6.134 -4.789 5.357 63 2HD LYS 8 1HD LYS 8 -6.054 -5.408 3.706 64 1HE LYS 8 2HE LYS 8 -5.783 -7.551 4.421 65 2HE LYS 8 1HE LYS 8 -4.584 -7.074 5.639 66 1HZ LYS 8 1HZ LYS 8 -7.481 -6.490 5.899 67 2HZ LYS 8 2HZ LYS 8 -6.281 -6.332 7.091 68 3HZ LYS 8 3HZ LYS 8 -6.761 -7.874 6.562 69 H CYS 9 H CYS 9 -0.707 -6.616 1.564 70 HA CYS 9 HA CYS 9 -1.677 -4.881 -0.683 71 1HB CYS 9 2HB CYS 9 0.593 -4.762 -1.518 72 2HB CYS 9 1HB CYS 9 0.624 -4.297 0.182 73 H ASN 10 H ASN 10 -1.381 -5.940 -2.818 74 HA ASN 10 HA ASN 10 -0.993 -8.872 -2.829 75 1HB ASN 10 2HB ASN 10 -3.473 -7.878 -2.297 76 2HB ASN 10 1HB ASN 10 -3.528 -7.933 -4.060 77 1HD2 ASN 10 1HD2 ASN 10 -4.572 -9.848 -4.629 78 2HD2 ASN 10 2HD2 ASN 10 -4.251 -11.370 -3.947 79 HA PRO 11 HA PRO 11 0.702 -7.437 -6.690 80 1HB PRO 11 2HB PRO 11 1.322 -9.921 -7.687 81 2HB PRO 11 1HB PRO 11 2.307 -9.086 -6.469 82 1HG PRO 11 2HG PRO 11 0.243 -11.214 -6.094 83 2HG PRO 11 1HG PRO 11 1.836 -11.045 -5.333 84 1HD PRO 11 2HD PRO 11 -0.423 -10.356 -4.047 85 2HD PRO 11 1HD PRO 11 1.095 -9.457 -3.819 86 H ASN 12 H ASN 12 -2.007 -9.536 -6.229 87 HA ASN 12 HA ASN 12 -2.723 -9.627 -9.096 88 1HB ASN 12 2HB ASN 12 -3.061 -11.450 -7.306 89 2HB ASN 12 1HB ASN 12 -4.376 -10.444 -6.696 90 1HD2 ASN 12 1HD2 ASN 12 -5.122 -12.922 -7.647 91 2HD2 ASN 12 2HD2 ASN 12 -5.889 -12.783 -9.154 92 H ASP 13 H ASP 13 -3.744 -8.002 -6.109 93 HA ASP 13 HA ASP 13 -5.379 -6.125 -7.780 94 1HB ASP 13 2HB ASP 13 -6.315 -8.044 -5.998 95 2HB ASP 13 1HB ASP 13 -6.307 -6.566 -5.033 96 H ASP 14 H ASP 14 -2.811 -5.431 -7.225 97 HA ASP 14 HA ASP 14 -1.970 -4.316 -4.852 98 1HB ASP 14 2HB ASP 14 -1.030 -4.293 -7.293 99 2HB ASP 14 1HB ASP 14 -1.843 -2.732 -7.411 100 H LYS 15 H LYS 15 -2.544 -2.578 -3.566 101 HA LYS 15 HA LYS 15 -4.671 -0.731 -4.580 102 1HB LYS 15 2HB LYS 15 -5.672 -2.450 -3.162 103 2HB LYS 15 1HB LYS 15 -4.478 -2.138 -1.900 104 1HG LYS 15 2HG LYS 15 -6.545 -0.975 -1.334 105 2HG LYS 15 1HG LYS 15 -5.314 0.216 -1.756 106 1HD LYS 15 2HD LYS 15 -7.327 0.862 -2.901 107 2HD LYS 15 1HD LYS 15 -6.240 0.189 -4.114 108 1HE LYS 15 2HE LYS 15 -8.127 -1.028 -4.662 109 2HE LYS 15 1HE LYS 15 -7.539 -2.075 -3.353 110 1HZ LYS 15 1HZ LYS 15 -9.088 0.286 -2.603 111 2HZ LYS 15 2HZ LYS 15 -9.036 -1.250 -1.879 112 3HZ LYS 15 3HZ LYS 15 -9.945 -1.004 -3.294 113 H CYS 16 H CYS 16 -1.881 -1.248 -2.479 114 HA CYS 16 HA CYS 16 -1.693 1.034 -0.945 115 1HB CYS 16 2HB CYS 16 -0.022 -0.866 -1.294 116 2HB CYS 16 1HB CYS 16 0.551 0.013 -2.712 117 H CYS 17 H CYS 17 -1.180 3.236 -1.313 118 HA CYS 17 HA CYS 17 -2.067 4.562 -3.591 119 1HB CYS 17 2HB CYS 17 0.226 5.235 -1.718 120 2HB CYS 17 1HB CYS 17 -0.578 6.397 -2.768 121 H ARG 18 H ARG 18 -0.722 5.676 -5.332 122 HA ARG 18 HA ARG 18 1.460 3.828 -6.229 123 1HB ARG 18 2HB ARG 18 0.747 4.714 -8.509 124 2HB ARG 18 1HB ARG 18 -0.456 3.747 -7.655 125 1HG ARG 18 2HG ARG 18 -0.536 6.633 -7.038 126 2HG ARG 18 1HG ARG 18 -0.950 6.223 -8.703 127 1HD ARG 18 2HD ARG 18 -2.322 4.295 -7.266 128 2HD ARG 18 1HD ARG 18 -2.478 5.736 -6.241 129 HE ARG 18 HE ARG 18 -3.027 6.846 -8.612 130 1HH1 ARG 18 1HH2 ARG 18 -3.357 3.750 -9.280 131 2HH1 ARG 18 2HH2 ARG 18 -5.087 3.676 -9.332 132 1HH2 ARG 18 1HH1 ARG 18 -5.530 6.776 -7.843 133 2HH2 ARG 18 2HH1 ARG 18 -6.316 5.388 -8.519 134 HA PRO 19 HA PRO 19 3.105 8.276 -6.107 135 1HB PRO 19 2HB PRO 19 4.230 8.445 -3.623 136 2HB PRO 19 1HB PRO 19 2.564 8.963 -3.948 137 1HG PRO 19 2HG PRO 19 3.558 6.488 -2.652 138 2HG PRO 19 1HG PRO 19 2.094 7.426 -2.328 139 1HD PRO 19 2HD PRO 19 2.175 5.064 -3.763 140 2HD PRO 19 1HD PRO 19 0.881 6.275 -3.858 141 H LYS 20 H LYS 20 4.202 5.322 -4.561 142 HA LYS 20 HA LYS 20 6.384 4.755 -6.245 143 1HB LYS 20 2HB LYS 20 7.383 6.829 -5.519 144 2HB LYS 20 1HB LYS 20 7.003 6.487 -3.831 145 1HG LYS 20 2HG LYS 20 8.783 5.079 -3.582 146 2HG LYS 20 1HG LYS 20 8.639 4.445 -5.222 147 1HD LYS 20 2HD LYS 20 9.457 7.296 -4.949 148 2HD LYS 20 1HD LYS 20 10.648 6.078 -4.493 149 1HE LYS 20 2HE LYS 20 9.887 4.970 -6.800 150 2HE LYS 20 1HE LYS 20 9.467 6.651 -7.184 151 1HZ LYS 20 1HZ LYS 20 12.014 6.132 -5.835 152 2HZ LYS 20 2HZ LYS 20 11.608 7.353 -6.944 153 3HZ LYS 20 3HZ LYS 20 11.913 5.773 -7.489 154 H LEU 21 H LEU 21 4.520 3.131 -5.062 155 HA LEU 21 HA LEU 21 6.153 1.564 -3.102 156 1HB LEU 21 2HB LEU 21 3.216 2.276 -2.871 157 2HB LEU 21 1HB LEU 21 4.111 1.259 -1.744 158 HG LEU 21 HG LEU 21 4.912 4.110 -2.379 159 1HD1 LEU 21 1HD1 LEU 21 2.934 2.989 -0.426 160 2HD1 LEU 21 2HD1 LEU 21 2.875 4.499 -1.335 161 3HD1 LEU 21 3HD1 LEU 21 3.928 4.357 0.072 162 1HD2 LEU 21 1HD2 LEU 21 6.729 2.866 -1.448 163 2HD2 LEU 21 2HD2 LEU 21 5.674 2.055 -0.292 164 3HD2 LEU 21 3HD2 LEU 21 6.039 3.769 -0.099 165 H LYS 22 H LYS 22 5.233 -0.668 -2.848 166 HA LYS 22 HA LYS 22 3.419 -1.696 -4.852 167 1HB LYS 22 2HB LYS 22 5.142 -3.140 -5.919 168 2HB LYS 22 1HB LYS 22 5.466 -1.424 -6.165 169 1HG LYS 22 2HG LYS 22 6.837 -1.718 -3.906 170 2HG LYS 22 1HG LYS 22 6.904 -3.399 -4.444 171 1HD LYS 22 2HD LYS 22 7.657 -2.498 -6.707 172 2HD LYS 22 1HD LYS 22 7.885 -0.943 -5.905 173 1HE LYS 22 2HE LYS 22 10.023 -1.935 -5.719 174 2HE LYS 22 1HE LYS 22 9.275 -2.363 -4.167 175 1HZ LYS 22 1HZ LYS 22 10.244 -4.293 -5.379 176 2HZ LYS 22 2HZ LYS 22 9.098 -4.045 -6.608 177 3HZ LYS 22 3HZ LYS 22 8.590 -4.457 -5.040 178 H CYS 23 H CYS 23 2.589 -3.705 -4.143 179 HA CYS 23 HA CYS 23 2.622 -4.523 -1.525 180 1HB CYS 23 2HB CYS 23 1.227 -5.488 -3.330 181 2HB CYS 23 1HB CYS 23 2.646 -6.295 -3.994 182 H SER 24 H SER 24 4.047 -5.543 -0.150 183 HA SER 24 HA SER 24 6.619 -6.556 -1.320 184 1HB SER 24 2HB SER 24 5.944 -4.609 0.803 185 2HB SER 24 1HB SER 24 7.242 -5.731 1.206 186 HG SER 24 HG SER 24 8.375 -4.332 0.086 187 H LYS 25 H LYS 25 6.874 -8.689 -0.908 188 HA LYS 25 HA LYS 25 5.151 -10.188 0.862 189 1HB LYS 25 2HB LYS 25 6.849 -10.642 -1.280 190 2HB LYS 25 1HB LYS 25 7.702 -11.401 0.064 191 1HG LYS 25 2HG LYS 25 6.318 -13.165 -0.164 192 2HG LYS 25 1HG LYS 25 5.012 -12.127 0.411 193 1HD LYS 25 2HD LYS 25 5.267 -11.368 -2.235 194 2HD LYS 25 1HD LYS 25 5.557 -13.106 -2.300 195 1HE LYS 25 2HE LYS 25 3.385 -12.789 -0.528 196 2HE LYS 25 1HE LYS 25 3.047 -11.714 -1.901 197 1HZ LYS 25 1HZ LYS 25 3.604 -13.531 -3.407 198 2HZ LYS 25 2HZ LYS 25 2.319 -13.971 -2.384 199 3HZ LYS 25 3HZ LYS 25 3.885 -14.562 -2.089 200 H LEU 26 H LEU 26 8.005 -8.349 1.409 201 HA LEU 26 HA LEU 26 9.471 -9.687 3.349 202 1HB LEU 26 2HB LEU 26 8.582 -6.859 2.915 203 2HB LEU 26 1HB LEU 26 9.413 -7.238 4.423 204 HG LEU 26 HG LEU 26 10.902 -8.544 2.437 205 1HD1 LEU 26 1HD1 LEU 26 9.609 -7.073 0.823 206 2HD1 LEU 26 2HD1 LEU 26 11.360 -6.877 0.765 207 3HD1 LEU 26 3HD1 LEU 26 10.365 -5.683 1.599 208 1HD2 LEU 26 1HD2 LEU 26 12.159 -6.084 3.011 209 2HD2 LEU 26 2HD2 LEU 26 12.399 -7.616 3.850 210 3HD2 LEU 26 3HD2 LEU 26 11.196 -6.468 4.439 211 H PHE 27 H PHE 27 6.374 -7.987 3.805 212 HA PHE 27 HA PHE 27 5.886 -9.650 6.234 213 1HB PHE 27 2HB PHE 27 6.031 -6.665 5.958 214 2HB PHE 27 1HB PHE 27 4.916 -7.370 7.131 215 HD1 PHE 27 1HD PHE 27 8.299 -6.412 6.504 216 HD2 PHE 27 2HD PHE 27 5.883 -9.168 8.740 217 HE1 PHE 27 1HE PHE 27 10.187 -6.799 8.062 218 HE2 PHE 27 2HE PHE 27 7.770 -9.555 10.301 219 HZ PHE 27 HZ PHE 27 9.923 -8.371 9.963 220 H LYS 28 H LYS 28 4.844 -8.864 3.263 221 HA LYS 28 HA LYS 28 2.757 -9.324 2.228 222 1HB LYS 28 2HB LYS 28 1.484 -9.350 4.964 223 2HB LYS 28 1HB LYS 28 1.017 -10.250 3.525 224 1HG LYS 28 2HG LYS 28 3.717 -10.956 4.192 225 2HG LYS 28 1HG LYS 28 2.725 -11.099 5.642 226 1HD LYS 28 2HD LYS 28 2.503 -13.206 4.592 227 2HD LYS 28 1HD LYS 28 1.038 -12.344 4.121 228 1HE LYS 28 2HE LYS 28 1.596 -12.564 1.939 229 2HE LYS 28 1HE LYS 28 3.137 -11.736 2.235 230 1HZ LYS 28 1HZ LYS 28 2.547 -14.615 2.675 231 2HZ LYS 28 2HZ LYS 28 3.977 -13.847 3.178 232 3HZ LYS 28 3HZ LYS 28 3.606 -13.960 1.524 233 H LEU 29 H LEU 29 3.845 -6.658 3.195 234 HA LEU 29 HA LEU 29 1.253 -5.128 3.124 235 1HB LEU 29 2HB LEU 29 3.911 -4.549 4.479 236 2HB LEU 29 1HB LEU 29 2.653 -3.338 4.292 237 HG LEU 29 HG LEU 29 2.522 -4.378 6.511 238 1HD1 LEU 29 1HD1 LEU 29 0.262 -5.206 4.668 239 2HD1 LEU 29 2HD1 LEU 29 0.433 -3.644 5.466 240 3HD1 LEU 29 3HD1 LEU 29 0.155 -5.097 6.424 241 1HD2 LEU 29 1HD2 LEU 29 3.355 -6.657 5.316 242 2HD2 LEU 29 2HD2 LEU 29 1.625 -6.983 5.414 243 3HD2 LEU 29 3HD2 LEU 29 2.541 -6.631 6.879 244 H CYS 30 H CYS 30 1.872 -2.760 2.240 245 HA CYS 30 HA CYS 30 3.307 -3.250 -0.308 246 1HB CYS 30 2HB CYS 30 1.982 -1.519 -1.118 247 2HB CYS 30 1HB CYS 30 0.930 -2.220 0.090 248 H ASN 31 H ASN 31 5.276 -2.278 -0.748 249 HA ASN 31 HA ASN 31 6.163 0.069 0.804 250 1HB ASN 31 2HB ASN 31 6.690 -1.636 2.376 251 2HB ASN 31 1HB ASN 31 7.308 -2.700 1.123 252 1HD2 ASN 31 1HD2 ASN 31 9.530 -2.858 1.454 253 2HD2 ASN 31 2HD2 ASN 31 10.560 -1.537 1.729 254 H PHE 32 H PHE 32 8.429 0.644 0.174 255 HA PHE 32 HA PHE 32 9.762 -0.418 -2.095 256 1HB PHE 32 2HB PHE 32 7.583 0.323 -3.112 257 2HB PHE 32 1HB PHE 32 8.008 1.970 -2.670 258 HD1 PHE 32 1HD PHE 32 11.059 0.449 -3.277 259 HD2 PHE 32 2HD PHE 32 7.574 1.828 -5.375 260 HE1 PHE 32 1HE PHE 32 12.393 0.652 -5.359 261 HE2 PHE 32 2HE PHE 32 8.907 2.032 -7.458 262 HZ PHE 32 HZ PHE 32 11.317 1.443 -7.450 263 H SER 33 H SER 33 8.922 2.975 -1.422 264 HA SER 33 HA SER 33 11.342 3.547 0.073 265 1HB SER 33 2HB SER 33 11.590 3.240 -2.710 266 2HB SER 33 1HB SER 33 11.595 4.982 -2.447 267 HG SER 33 HG SER 33 13.567 3.295 -2.063 268 H PHE 34 H PHE 34 11.686 6.233 -0.575 269 HA PHE 34 HA PHE 34 9.229 7.415 0.509 270 1HB PHE 34 2HB PHE 34 12.054 8.010 0.241 271 2HB PHE 34 1HB PHE 34 11.088 9.402 -0.250 272 HD1 PHE 34 1HD PHE 34 8.678 9.069 1.455 273 HD2 PHE 34 2HD PHE 34 12.863 8.589 2.388 274 HE1 PHE 34 1HE PHE 34 8.205 9.579 3.847 275 HE2 PHE 34 2HE PHE 34 12.390 9.101 4.776 276 HZ PHE 34 HZ PHE 34 10.061 9.596 5.506 277 1HN NH2 35 1HN NH2 35 8.281 9.533 -0.542 278 2HN NH2 35 2HN NH2 35 8.134 9.532 -2.320 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -10.565 4.541 -1.262 2 2H GLY 1 2HT GLY 1 -10.443 6.098 -0.592 3 3H GLY 1 3HT GLY 1 -9.662 4.786 0.154 4 1HA GLY 1 2HA GLY 1 -8.995 5.498 -2.623 5 2HA GLY 1 1HA GLY 1 -8.286 6.404 -1.287 6 H CYS 2 H CYS 2 -6.261 5.386 -2.228 7 HA CYS 2 HA CYS 2 -5.757 2.568 -2.043 8 1HB CYS 2 2HB CYS 2 -3.390 3.358 -2.178 9 2HB CYS 2 1HB CYS 2 -4.430 4.113 -3.382 10 H LEU 3 H LEU 3 -3.488 2.284 -0.526 11 HA LEU 3 HA LEU 3 -4.550 2.539 2.250 12 1HB LEU 3 2HB LEU 3 -2.480 0.759 0.926 13 2HB LEU 3 1HB LEU 3 -2.923 0.669 2.625 14 HG LEU 3 HG LEU 3 -5.383 0.563 1.520 15 1HD1 LEU 3 1HD1 LEU 3 -3.976 -1.274 -0.328 16 2HD1 LEU 3 2HD1 LEU 3 -3.851 0.441 -0.723 17 3HD1 LEU 3 3HD1 LEU 3 -5.436 -0.320 -0.585 18 1HD2 LEU 3 1HD2 LEU 3 -5.007 -2.011 1.639 19 2HD2 LEU 3 2HD2 LEU 3 -4.762 -1.066 3.108 20 3HD2 LEU 3 3HD2 LEU 3 -3.373 -1.593 2.158 21 H GLU 4 H GLU 4 -1.663 1.855 3.080 22 HA GLU 4 HA GLU 4 -0.621 4.662 3.001 23 1HB GLU 4 2HB GLU 4 -1.434 3.330 5.141 24 2HB GLU 4 1HB GLU 4 0.158 2.582 5.018 25 1HG GLU 4 2HG GLU 4 0.508 5.383 4.646 26 2HG GLU 4 1HG GLU 4 -0.511 5.162 6.069 27 H PHE 5 H PHE 5 1.925 4.174 3.913 28 HA PHE 5 HA PHE 5 3.244 3.121 1.528 29 1HB PHE 5 2HB PHE 5 4.380 4.936 2.381 30 2HB PHE 5 1HB PHE 5 3.891 4.589 4.037 31 HD1 PHE 5 1HD PHE 5 5.154 3.013 5.425 32 HD2 PHE 5 2HD PHE 5 6.366 3.903 1.401 33 HE1 PHE 5 1HE PHE 5 7.365 1.979 5.862 34 HE2 PHE 5 2HE PHE 5 8.576 2.868 1.838 35 HZ PHE 5 HZ PHE 5 9.076 1.906 4.070 36 H TRP 6 H TRP 6 1.888 1.559 4.116 37 HA TRP 6 HA TRP 6 3.495 -0.871 3.670 38 1HB TRP 6 2HB TRP 6 4.746 0.670 5.279 39 2HB TRP 6 1HB TRP 6 3.415 0.432 6.410 40 HD1 TRP 6 HD TRP 6 4.211 -1.199 8.174 41 HE1 TRP 6 1HE TRP 6 5.439 -3.465 8.176 42 HE3 TRP 6 3HE TRP 6 5.205 -1.671 3.187 43 HZ2 TRP 6 2HZ TRP 6 6.684 -5.237 6.312 44 HZ3 TRP 6 3HZ TRP 6 6.410 -3.658 2.328 45 HH2 TRP 6 HH TRP 6 7.149 -5.443 3.881 46 H TRP 7 H TRP 7 0.804 -0.608 3.173 47 HA TRP 7 HA TRP 7 -0.539 -1.827 5.562 48 1HB TRP 7 2HB TRP 7 -1.367 -0.104 3.252 49 2HB TRP 7 1HB TRP 7 -2.573 -1.187 3.951 50 HD1 TRP 7 HD TRP 7 -0.128 -0.172 6.507 51 HE1 TRP 7 1HE TRP 7 -1.100 1.659 8.037 52 HE3 TRP 7 3HE TRP 7 -4.264 1.145 3.805 53 HZ2 TRP 7 2HZ TRP 7 -3.329 3.444 8.111 54 HZ3 TRP 7 3HZ TRP 7 -5.790 2.912 4.630 55 HH2 TRP 7 HH TRP 7 -5.330 4.062 6.778 56 H LYS 8 H LYS 8 -2.277 -3.535 4.780 57 HA LYS 8 HA LYS 8 -1.092 -5.784 3.687 58 1HB LYS 8 2HB LYS 8 -3.886 -5.106 2.827 59 2HB LYS 8 1HB LYS 8 -3.249 -6.641 3.386 60 1HG LYS 8 2HG LYS 8 -3.936 -4.217 5.056 61 2HG LYS 8 1HG LYS 8 -4.612 -5.840 5.166 62 1HD LYS 8 2HD LYS 8 -1.677 -5.286 5.638 63 2HD LYS 8 1HD LYS 8 -2.869 -5.243 6.936 64 1HE LYS 8 2HE LYS 8 -3.342 -7.636 5.466 65 2HE LYS 8 1HE LYS 8 -1.598 -7.548 5.791 66 1HZ LYS 8 1HZ LYS 8 -2.716 -8.496 7.690 67 2HZ LYS 8 2HZ LYS 8 -3.781 -7.174 7.773 68 3HZ LYS 8 3HZ LYS 8 -2.128 -6.960 8.100 69 H CYS 9 H CYS 9 -0.796 -6.605 1.568 70 HA CYS 9 HA CYS 9 -1.400 -4.744 -0.690 71 1HB CYS 9 2HB CYS 9 0.885 -4.824 -1.426 72 2HB CYS 9 1HB CYS 9 0.933 -4.461 0.298 73 H ASN 10 H ASN 10 -1.507 -5.816 -2.754 74 HA ASN 10 HA ASN 10 -1.340 -8.791 -2.725 75 1HB ASN 10 2HB ASN 10 -3.672 -7.506 -2.222 76 2HB ASN 10 1HB ASN 10 -3.735 -7.557 -3.985 77 1HD2 ASN 10 1HD2 ASN 10 -5.002 -9.215 -1.553 78 2HD2 ASN 10 2HD2 ASN 10 -4.881 -10.810 -2.125 79 HA PRO 11 HA PRO 11 0.538 -7.537 -6.597 80 1HB PRO 11 2HB PRO 11 1.253 -10.079 -7.357 81 2HB PRO 11 1HB PRO 11 2.181 -9.116 -6.190 82 1HG PRO 11 2HG PRO 11 0.182 -11.275 -5.694 83 2HG PRO 11 1HG PRO 11 1.735 -10.971 -4.894 84 1HD PRO 11 2HD PRO 11 -0.617 -10.270 -3.774 85 2HD PRO 11 1HD PRO 11 0.867 -9.320 -3.537 86 H ASN 12 H ASN 12 -2.041 -9.808 -6.034 87 HA ASN 12 HA ASN 12 -2.746 -10.117 -8.876 88 1HB ASN 12 2HB ASN 12 -3.055 -11.723 -6.813 89 2HB ASN 12 1HB ASN 12 -4.499 -10.757 -6.510 90 1HD2 ASN 12 1HD2 ASN 12 -5.677 -12.863 -7.039 91 2HD2 ASN 12 2HD2 ASN 12 -5.963 -13.230 -8.671 92 H ASP 13 H ASP 13 -3.816 -8.283 -6.047 93 HA ASP 13 HA ASP 13 -5.465 -6.550 -7.850 94 1HB ASP 13 2HB ASP 13 -6.238 -8.274 -5.637 95 2HB ASP 13 1HB ASP 13 -6.672 -6.596 -5.307 96 H ASP 14 H ASP 14 -2.949 -5.746 -7.332 97 HA ASP 14 HA ASP 14 -2.066 -4.538 -5.044 98 1HB ASP 14 2HB ASP 14 -1.939 -4.019 -7.930 99 2HB ASP 14 1HB ASP 14 -1.638 -2.581 -6.956 100 H LYS 15 H LYS 15 -2.459 -2.585 -3.910 101 HA LYS 15 HA LYS 15 -4.748 -0.901 -4.781 102 1HB LYS 15 2HB LYS 15 -5.259 -2.966 -3.186 103 2HB LYS 15 1HB LYS 15 -4.671 -1.857 -1.947 104 1HG LYS 15 2HG LYS 15 -6.532 -0.571 -2.060 105 2HG LYS 15 1HG LYS 15 -6.531 -0.585 -3.823 106 1HD LYS 15 2HD LYS 15 -8.063 -2.241 -3.905 107 2HD LYS 15 1HD LYS 15 -7.198 -3.198 -2.700 108 1HE LYS 15 2HE LYS 15 -9.304 -2.652 -1.688 109 2HE LYS 15 1HE LYS 15 -8.137 -1.530 -0.960 110 1HZ LYS 15 1HZ LYS 15 -10.055 -0.315 -1.773 111 2HZ LYS 15 2HZ LYS 15 -9.856 -0.979 -3.324 112 3HZ LYS 15 3HZ LYS 15 -8.689 0.084 -2.695 113 H CYS 16 H CYS 16 -1.950 -1.371 -2.651 114 HA CYS 16 HA CYS 16 -1.863 0.898 -1.087 115 1HB CYS 16 2HB CYS 16 -0.104 -0.906 -1.378 116 2HB CYS 16 1HB CYS 16 0.437 -0.056 -2.826 117 H CYS 17 H CYS 17 -1.195 3.098 -1.408 118 HA CYS 17 HA CYS 17 -2.189 4.473 -3.640 119 1HB CYS 17 2HB CYS 17 0.182 5.224 -1.897 120 2HB CYS 17 1HB CYS 17 -0.876 6.338 -2.761 121 H ARG 18 H ARG 18 -0.549 5.921 -5.062 122 HA ARG 18 HA ARG 18 1.324 3.965 -6.333 123 1HB ARG 18 2HB ARG 18 0.943 5.546 -8.319 124 2HB ARG 18 1HB ARG 18 -0.438 4.581 -7.797 125 1HG ARG 18 2HG ARG 18 -0.144 7.187 -6.427 126 2HG ARG 18 1HG ARG 18 -0.528 7.283 -8.147 127 1HD ARG 18 2HD ARG 18 -2.095 5.255 -6.670 128 2HD ARG 18 1HD ARG 18 -2.419 6.935 -6.197 129 HE ARG 18 HE ARG 18 -2.250 6.653 -9.078 130 1HH1 ARG 18 1HH1 ARG 18 -4.190 8.084 -6.987 131 2HH1 ARG 18 2HH1 ARG 18 -5.697 7.444 -7.552 132 1HH2 ARG 18 1HH2 ARG 18 -4.224 5.005 -9.527 133 2HH2 ARG 18 2HH2 ARG 18 -5.716 5.700 -8.991 134 HA PRO 19 HA PRO 19 3.696 8.003 -5.352 135 1HB PRO 19 2HB PRO 19 4.318 7.956 -2.693 136 2HB PRO 19 1HB PRO 19 2.881 8.785 -3.326 137 1HG PRO 19 2HG PRO 19 3.104 6.177 -1.941 138 2HG PRO 19 1HG PRO 19 1.809 7.380 -1.888 139 1HD PRO 19 2HD PRO 19 1.737 5.035 -3.353 140 2HD PRO 19 1HD PRO 19 0.733 6.467 -3.658 141 H LYS 20 H LYS 20 4.468 5.533 -6.320 142 HA LYS 20 HA LYS 20 6.465 4.314 -6.649 143 1HB LYS 20 2HB LYS 20 7.575 5.815 -4.272 144 2HB LYS 20 1HB LYS 20 8.443 5.179 -5.666 145 1HG LYS 20 2HG LYS 20 6.903 6.803 -7.033 146 2HG LYS 20 1HG LYS 20 6.709 7.625 -5.483 147 1HD LYS 20 2HD LYS 20 9.259 7.603 -5.310 148 2HD LYS 20 1HD LYS 20 9.273 7.118 -7.006 149 1HE LYS 20 2HE LYS 20 7.476 9.356 -6.671 150 2HE LYS 20 1HE LYS 20 9.072 9.756 -6.002 151 1HZ LYS 20 1HZ LYS 20 9.043 8.244 -8.490 152 2HZ LYS 20 2HZ LYS 20 10.087 9.486 -7.988 153 3HZ LYS 20 3HZ LYS 20 8.548 9.862 -8.602 154 H LEU 21 H LEU 21 4.344 3.246 -5.044 155 HA LEU 21 HA LEU 21 5.896 1.732 -2.965 156 1HB LEU 21 2HB LEU 21 2.894 2.098 -3.093 157 2HB LEU 21 1HB LEU 21 3.865 1.618 -1.703 158 HG LEU 21 HG LEU 21 3.775 4.344 -3.027 159 1HD1 LEU 21 1HD1 LEU 21 2.588 3.093 -0.649 160 2HD1 LEU 21 2HD1 LEU 21 2.127 4.574 -1.486 161 3HD1 LEU 21 3HD1 LEU 21 3.428 4.602 -0.296 162 1HD2 LEU 21 1HD2 LEU 21 5.332 4.621 -0.785 163 2HD2 LEU 21 2HD2 LEU 21 5.971 4.444 -2.419 164 3HD2 LEU 21 3HD2 LEU 21 5.841 3.035 -1.367 165 H LYS 22 H LYS 22 5.177 -0.562 -2.730 166 HA LYS 22 HA LYS 22 3.563 -1.748 -4.828 167 1HB LYS 22 2HB LYS 22 6.443 -1.439 -5.058 168 2HB LYS 22 1HB LYS 22 5.980 -3.139 -5.121 169 1HG LYS 22 2HG LYS 22 4.093 -2.187 -6.746 170 2HG LYS 22 1HG LYS 22 5.292 -0.919 -6.995 171 1HD LYS 22 2HD LYS 22 6.982 -2.818 -7.375 172 2HD LYS 22 1HD LYS 22 5.581 -3.882 -7.503 173 1HE LYS 22 2HE LYS 22 6.274 -1.516 -9.270 174 2HE LYS 22 1HE LYS 22 6.035 -3.208 -9.751 175 1HZ LYS 22 1HZ LYS 22 3.743 -2.980 -8.757 176 2HZ LYS 22 2HZ LYS 22 4.005 -2.135 -10.207 177 3HZ LYS 22 3HZ LYS 22 4.008 -1.304 -8.725 178 H CYS 23 H CYS 23 2.704 -3.667 -4.074 179 HA CYS 23 HA CYS 23 2.742 -4.512 -1.452 180 1HB CYS 23 2HB CYS 23 1.263 -5.438 -3.147 181 2HB CYS 23 1HB CYS 23 2.629 -6.146 -4.005 182 H SER 24 H SER 24 4.043 -5.840 -0.169 183 HA SER 24 HA SER 24 6.639 -6.759 -1.352 184 1HB SER 24 2HB SER 24 6.000 -4.883 0.788 185 2HB SER 24 1HB SER 24 7.044 -6.181 1.359 186 HG SER 24 HG SER 24 8.433 -4.751 0.503 187 H LYS 25 H LYS 25 6.764 -8.943 -1.175 188 HA LYS 25 HA LYS 25 4.960 -10.601 0.265 189 1HB LYS 25 2HB LYS 25 6.764 -12.323 -0.218 190 2HB LYS 25 1HB LYS 25 6.245 -11.390 -1.622 191 1HG LYS 25 2HG LYS 25 8.370 -9.995 -0.251 192 2HG LYS 25 1HG LYS 25 8.876 -11.642 -0.625 193 1HD LYS 25 2HD LYS 25 7.536 -10.803 -2.926 194 2HD LYS 25 1HD LYS 25 8.465 -9.390 -2.426 195 1HE LYS 25 2HE LYS 25 10.036 -11.840 -2.174 196 2HE LYS 25 1HE LYS 25 9.478 -11.575 -3.838 197 1HZ LYS 25 1HZ LYS 25 11.537 -10.357 -3.376 198 2HZ LYS 25 2HZ LYS 25 10.767 -9.523 -2.113 199 3HZ LYS 25 3HZ LYS 25 10.256 -9.301 -3.717 200 H LEU 26 H LEU 26 7.859 -8.941 1.290 201 HA LEU 26 HA LEU 26 8.887 -10.371 3.404 202 1HB LEU 26 2HB LEU 26 8.134 -7.453 3.127 203 2HB LEU 26 1HB LEU 26 9.066 -8.051 4.497 204 HG LEU 26 HG LEU 26 10.072 -8.994 1.903 205 1HD1 LEU 26 1HD1 LEU 26 11.192 -6.493 1.888 206 2HD1 LEU 26 2HD1 LEU 26 9.532 -6.129 2.359 207 3HD1 LEU 26 3HD1 LEU 26 9.851 -6.988 0.853 208 1HD2 LEU 26 1HD2 LEU 26 10.979 -8.487 4.549 209 2HD2 LEU 26 2HD2 LEU 26 11.911 -7.441 3.478 210 3HD2 LEU 26 3HD2 LEU 26 11.896 -9.184 3.213 211 H PHE 27 H PHE 27 6.613 -7.833 4.359 212 HA PHE 27 HA PHE 27 5.457 -9.718 6.363 213 1HB PHE 27 2HB PHE 27 5.722 -6.747 6.035 214 2HB PHE 27 1HB PHE 27 4.516 -7.406 7.137 215 HD1 PHE 27 1HD PHE 27 5.857 -6.198 8.942 216 HD2 PHE 27 2HD PHE 27 7.427 -9.476 6.658 217 HE1 PHE 27 1HE PHE 27 7.615 -6.550 10.651 218 HE2 PHE 27 2HE PHE 27 9.182 -9.828 8.360 219 HZ PHE 27 HZ PHE 27 9.280 -8.366 10.364 220 H LYS 28 H LYS 28 4.770 -9.039 3.291 221 HA LYS 28 HA LYS 28 2.769 -9.324 2.050 222 1HB LYS 28 2HB LYS 28 1.246 -9.403 4.647 223 2HB LYS 28 1HB LYS 28 0.958 -10.317 3.169 224 1HG LYS 28 2HG LYS 28 3.541 -11.065 3.992 225 2HG LYS 28 1HG LYS 28 2.581 -11.024 5.471 226 1HD LYS 28 2HD LYS 28 1.372 -12.841 4.864 227 2HD LYS 28 1HD LYS 28 1.171 -12.257 3.211 228 1HE LYS 28 2HE LYS 28 3.942 -13.017 3.742 229 2HE LYS 28 1HE LYS 28 2.819 -14.371 3.985 230 1HZ LYS 28 1HZ LYS 28 3.125 -14.418 1.714 231 2HZ LYS 28 2HZ LYS 28 3.249 -12.729 1.579 232 3HZ LYS 28 3HZ LYS 28 1.735 -13.454 1.840 233 H LEU 29 H LEU 29 3.810 -6.704 2.868 234 HA LEU 29 HA LEU 29 1.227 -5.169 2.786 235 1HB LEU 29 2HB LEU 29 3.753 -4.426 4.306 236 2HB LEU 29 1HB LEU 29 2.247 -3.516 4.283 237 HG LEU 29 HG LEU 29 1.797 -6.305 4.996 238 1HD1 LEU 29 1HD1 LEU 29 2.961 -6.413 7.048 239 2HD1 LEU 29 2HD1 LEU 29 3.347 -4.693 7.020 240 3HD1 LEU 29 3HD1 LEU 29 4.159 -5.795 5.911 241 1HD2 LEU 29 1HD2 LEU 29 0.678 -3.774 5.436 242 2HD2 LEU 29 2HD2 LEU 29 1.249 -4.286 7.022 243 3HD2 LEU 29 3HD2 LEU 29 0.119 -5.298 6.124 244 H CYS 30 H CYS 30 1.732 -2.828 1.995 245 HA CYS 30 HA CYS 30 3.377 -3.106 -0.432 246 1HB CYS 30 2HB CYS 30 2.002 -1.450 -1.254 247 2HB CYS 30 1HB CYS 30 0.944 -2.153 -0.051 248 H ASN 31 H ASN 31 5.408 -2.354 -0.554 249 HA ASN 31 HA ASN 31 6.347 -0.415 1.523 250 1HB ASN 31 2HB ASN 31 7.332 -2.813 0.944 251 2HB ASN 31 1HB ASN 31 8.130 -1.931 -0.358 252 1HD2 ASN 31 1HD2 ASN 31 8.048 0.544 1.576 253 2HD2 ASN 31 2HD2 ASN 31 9.385 0.279 2.586 254 H PHE 32 H PHE 32 8.713 -0.046 -0.445 255 HA PHE 32 HA PHE 32 7.483 2.226 -1.903 256 1HB PHE 32 2HB PHE 32 10.005 1.556 -0.676 257 2HB PHE 32 1HB PHE 32 10.276 2.013 -2.354 258 HD1 PHE 32 1HD PHE 32 7.548 3.199 -0.111 259 HD2 PHE 32 2HD PHE 32 11.211 4.187 -2.127 260 HE1 PHE 32 1HE PHE 32 7.231 5.587 0.482 261 HE2 PHE 32 2HE PHE 32 10.895 6.575 -1.533 262 HZ PHE 32 HZ PHE 32 8.906 7.275 -0.229 263 H SER 33 H SER 33 9.221 2.397 -4.054 264 HA SER 33 HA SER 33 8.833 -0.155 -5.574 265 1HB SER 33 2HB SER 33 6.979 1.410 -6.014 266 2HB SER 33 1HB SER 33 8.134 2.674 -6.426 267 HG SER 33 HG SER 33 7.968 0.155 -7.728 268 H PHE 34 H PHE 34 10.932 -0.726 -6.068 269 HA PHE 34 HA PHE 34 13.024 1.298 -6.472 270 1HB PHE 34 2HB PHE 34 12.731 -1.607 -6.089 271 2HB PHE 34 1HB PHE 34 14.038 -1.167 -7.189 272 HD1 PHE 34 1HD PHE 34 12.583 -0.143 -3.875 273 HD2 PHE 34 2HD PHE 34 16.120 -0.603 -6.303 274 HE1 PHE 34 1HE PHE 34 14.002 0.516 -1.937 275 HE2 PHE 34 2HE PHE 34 17.536 0.056 -4.366 276 HZ PHE 34 HZ PHE 34 16.479 0.617 -2.183 277 1HN NH2 35 1HN NH2 35 13.952 1.994 -8.488 278 2HN NH2 35 2HN NH2 35 13.350 1.416 -10.066 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -9.417 6.944 -2.510 2 2H GLY 1 2HT GLY 1 -10.295 5.792 -1.622 3 3H GLY 1 3HT GLY 1 -9.011 5.301 -2.621 4 1HA GLY 1 2HA GLY 1 -7.801 7.086 -0.999 5 2HA GLY 1 1HA GLY 1 -8.966 6.306 0.074 6 H CYS 2 H CYS 2 -6.155 5.776 -1.965 7 HA CYS 2 HA CYS 2 -5.926 2.962 -1.857 8 1HB CYS 2 2HB CYS 2 -3.457 3.520 -2.049 9 2HB CYS 2 1HB CYS 2 -4.490 4.341 -3.217 10 H LEU 3 H LEU 3 -3.640 2.284 -0.504 11 HA LEU 3 HA LEU 3 -4.545 2.386 2.318 12 1HB LEU 3 2HB LEU 3 -2.327 0.806 0.987 13 2HB LEU 3 1HB LEU 3 -3.086 0.466 2.537 14 HG LEU 3 HG LEU 3 -4.554 0.465 -0.110 15 1HD1 LEU 3 1HD1 LEU 3 -3.727 -1.910 1.578 16 2HD1 LEU 3 2HD1 LEU 3 -2.812 -1.355 0.177 17 3HD1 LEU 3 3HD1 LEU 3 -4.464 -1.938 -0.024 18 1HD2 LEU 3 1HD2 LEU 3 -5.351 -0.523 2.648 19 2HD2 LEU 3 2HD2 LEU 3 -6.349 -0.585 1.195 20 3HD2 LEU 3 3HD2 LEU 3 -5.923 0.971 1.907 21 H GLU 4 H GLU 4 -1.818 1.741 3.242 22 HA GLU 4 HA GLU 4 -0.653 4.502 3.198 23 1HB GLU 4 2HB GLU 4 -1.617 3.443 5.320 24 2HB GLU 4 1HB GLU 4 -0.287 2.290 5.241 25 1HG GLU 4 2HG GLU 4 1.348 4.016 5.506 26 2HG GLU 4 1HG GLU 4 0.150 5.284 5.242 27 H PHE 5 H PHE 5 1.827 4.331 3.773 28 HA PHE 5 HA PHE 5 3.220 3.120 1.619 29 1HB PHE 5 2HB PHE 5 3.721 4.977 3.486 30 2HB PHE 5 1HB PHE 5 4.566 3.624 4.235 31 HD1 PHE 5 1HD PHE 5 4.579 6.058 1.540 32 HD2 PHE 5 2HD PHE 5 6.379 2.428 2.963 33 HE1 PHE 5 1HE PHE 5 6.479 6.390 -0.020 34 HE2 PHE 5 2HE PHE 5 8.278 2.758 1.403 35 HZ PHE 5 HZ PHE 5 8.329 4.739 -0.087 36 H TRP 6 H TRP 6 1.930 1.603 4.404 37 HA TRP 6 HA TRP 6 3.412 -0.890 3.774 38 1HB TRP 6 2HB TRP 6 4.687 0.566 5.440 39 2HB TRP 6 1HB TRP 6 3.348 0.315 6.558 40 HD1 TRP 6 HD TRP 6 3.421 -1.788 7.983 41 HE1 TRP 6 1HE TRP 6 4.832 -3.944 8.003 42 HE3 TRP 6 3HE TRP 6 6.041 -1.167 3.645 43 HZ2 TRP 6 2HZ TRP 6 6.810 -5.236 6.394 44 HZ3 TRP 6 3HZ TRP 6 7.683 -2.876 2.913 45 HH2 TRP 6 HH TRP 6 8.069 -4.908 4.280 46 H TRP 7 H TRP 7 0.829 -0.744 3.195 47 HA TRP 7 HA TRP 7 -0.658 -1.895 5.535 48 1HB TRP 7 2HB TRP 7 -1.292 -0.025 3.310 49 2HB TRP 7 1HB TRP 7 -2.568 -1.156 3.760 50 HD1 TRP 7 HD TRP 7 -0.256 -0.207 6.531 51 HE1 TRP 7 1HE TRP 7 -1.459 1.381 8.172 52 HE3 TRP 7 3HE TRP 7 -4.434 0.869 3.807 53 HZ2 TRP 7 2HZ TRP 7 -3.875 2.907 8.305 54 HZ3 TRP 7 3HZ TRP 7 -6.168 2.390 4.709 55 HH2 TRP 7 HH TRP 7 -5.895 3.411 6.953 56 H LYS 8 H LYS 8 -2.479 -3.443 4.662 57 HA LYS 8 HA LYS 8 -1.443 -5.763 3.540 58 1HB LYS 8 2HB LYS 8 -4.181 -4.790 2.746 59 2HB LYS 8 1HB LYS 8 -3.682 -6.417 3.181 60 1HG LYS 8 2HG LYS 8 -3.173 -5.406 5.522 61 2HG LYS 8 1HG LYS 8 -4.202 -4.073 4.995 62 1HD LYS 8 2HD LYS 8 -5.557 -6.460 4.289 63 2HD LYS 8 1HD LYS 8 -4.987 -6.675 5.946 64 1HE LYS 8 2HE LYS 8 -5.912 -4.144 6.146 65 2HE LYS 8 1HE LYS 8 -6.996 -4.754 4.878 66 1HZ LYS 8 1HZ LYS 8 -7.618 -5.208 7.317 67 2HZ LYS 8 2HZ LYS 8 -6.394 -6.384 7.263 68 3HZ LYS 8 3HZ LYS 8 -7.722 -6.489 6.210 69 H CYS 9 H CYS 9 -1.367 -6.598 1.354 70 HA CYS 9 HA CYS 9 -1.932 -4.762 -0.890 71 1HB CYS 9 2HB CYS 9 0.389 -4.535 -1.538 72 2HB CYS 9 1HB CYS 9 0.263 -4.084 0.163 73 H ASN 10 H ASN 10 -0.867 -5.835 -2.972 74 HA ASN 10 HA ASN 10 -0.652 -8.763 -2.893 75 1HB ASN 10 2HB ASN 10 -3.133 -8.055 -2.779 76 2HB ASN 10 1HB ASN 10 -2.926 -7.512 -4.444 77 1HD2 ASN 10 1HD2 ASN 10 -4.698 -9.669 -3.821 78 2HD2 ASN 10 2HD2 ASN 10 -4.054 -11.100 -4.467 79 HA PRO 11 HA PRO 11 1.862 -7.380 -6.315 80 1HB PRO 11 2HB PRO 11 2.703 -9.881 -7.079 81 2HB PRO 11 1HB PRO 11 3.391 -9.003 -5.697 82 1HG PRO 11 2HG PRO 11 1.307 -11.143 -5.725 83 2HG PRO 11 1HG PRO 11 2.694 -10.937 -4.640 84 1HD PRO 11 2HD PRO 11 0.204 -10.237 -3.896 85 2HD PRO 11 1HD PRO 11 1.633 -9.314 -3.371 86 H ASN 12 H ASN 12 -0.927 -9.370 -6.371 87 HA ASN 12 HA ASN 12 -1.001 -9.510 -9.347 88 1HB ASN 12 2HB ASN 12 -1.546 -11.408 -7.647 89 2HB ASN 12 1HB ASN 12 -3.058 -10.539 -7.389 90 1HD2 ASN 12 1HD2 ASN 12 -4.338 -12.232 -8.421 91 2HD2 ASN 12 2HD2 ASN 12 -4.285 -12.483 -10.099 92 H ASP 13 H ASP 13 -2.080 -7.593 -6.742 93 HA ASP 13 HA ASP 13 -3.558 -5.783 -8.475 94 1HB ASP 13 2HB ASP 13 -5.703 -6.171 -7.074 95 2HB ASP 13 1HB ASP 13 -5.309 -7.392 -8.284 96 H ASP 14 H ASP 14 -1.390 -5.255 -6.931 97 HA ASP 14 HA ASP 14 -1.627 -4.608 -4.224 98 1HB ASP 14 2HB ASP 14 0.029 -2.744 -4.911 99 2HB ASP 14 1HB ASP 14 0.468 -4.402 -5.320 100 H LYS 15 H LYS 15 -2.759 -3.082 -3.084 101 HA LYS 15 HA LYS 15 -4.355 -1.091 -4.643 102 1HB LYS 15 2HB LYS 15 -5.627 -2.650 -3.265 103 2HB LYS 15 1HB LYS 15 -4.627 -2.274 -1.860 104 1HG LYS 15 2HG LYS 15 -5.501 -0.076 -1.687 105 2HG LYS 15 1HG LYS 15 -6.180 -0.131 -3.313 106 1HD LYS 15 2HD LYS 15 -7.442 -2.258 -2.172 107 2HD LYS 15 1HD LYS 15 -7.273 -1.191 -0.777 108 1HE LYS 15 2HE LYS 15 -8.435 -0.322 -3.449 109 2HE LYS 15 1HE LYS 15 -9.401 -0.772 -2.029 110 1HZ LYS 15 1HZ LYS 15 -9.012 1.605 -2.037 111 2HZ LYS 15 2HZ LYS 15 -7.333 1.361 -2.137 112 3HZ LYS 15 3HZ LYS 15 -8.181 0.894 -0.740 113 H CYS 16 H CYS 16 -1.704 -1.408 -2.446 114 HA CYS 16 HA CYS 16 -1.694 0.871 -0.869 115 1HB CYS 16 2HB CYS 16 0.099 -0.932 -1.203 116 2HB CYS 16 1HB CYS 16 0.648 0.006 -2.594 117 H CYS 17 H CYS 17 -1.196 3.102 -1.227 118 HA CYS 17 HA CYS 17 -2.135 4.416 -3.492 119 1HB CYS 17 2HB CYS 17 0.266 5.190 -1.796 120 2HB CYS 17 1HB CYS 17 -0.776 6.292 -2.692 121 H ARG 18 H ARG 18 -0.762 5.550 -5.239 122 HA ARG 18 HA ARG 18 1.330 3.627 -6.166 123 1HB ARG 18 2HB ARG 18 0.739 4.902 -8.407 124 2HB ARG 18 1HB ARG 18 -0.313 3.632 -7.789 125 1HG ARG 18 2HG ARG 18 -0.809 6.434 -6.866 126 2HG ARG 18 1HG ARG 18 -1.290 6.001 -8.507 127 1HD ARG 18 2HD ARG 18 -2.651 4.145 -7.666 128 2HD ARG 18 1HD ARG 18 -2.120 4.480 -6.007 129 HE ARG 18 HE ARG 18 -3.087 6.889 -6.610 130 1HH1 ARG 18 1HH1 ARG 18 -4.800 4.576 -5.418 131 2HH1 ARG 18 2HH1 ARG 18 -6.225 4.726 -6.393 132 1HH2 ARG 18 1HH2 ARG 18 -4.710 6.745 -8.770 133 2HH2 ARG 18 2HH2 ARG 18 -6.173 5.952 -8.291 134 HA PRO 19 HA PRO 19 3.303 7.938 -6.044 135 1HB PRO 19 2HB PRO 19 3.970 8.444 -3.443 136 2HB PRO 19 1HB PRO 19 2.461 9.020 -4.176 137 1HG PRO 19 2HG PRO 19 2.914 6.785 -2.304 138 2HG PRO 19 1HG PRO 19 1.505 7.830 -2.499 139 1HD PRO 19 2HD PRO 19 1.730 5.222 -3.455 140 2HD PRO 19 1HD PRO 19 0.535 6.430 -3.973 141 H LYS 20 H LYS 20 4.288 5.503 -6.652 142 HA LYS 20 HA LYS 20 6.383 4.445 -6.889 143 1HB LYS 20 2HB LYS 20 7.311 6.282 -4.663 144 2HB LYS 20 1HB LYS 20 8.303 5.470 -5.869 145 1HG LYS 20 2HG LYS 20 7.326 6.792 -7.655 146 2HG LYS 20 1HG LYS 20 6.184 7.533 -6.536 147 1HD LYS 20 2HD LYS 20 8.204 8.386 -5.236 148 2HD LYS 20 1HD LYS 20 9.188 7.878 -6.610 149 1HE LYS 20 2HE LYS 20 6.783 9.682 -6.976 150 2HE LYS 20 1HE LYS 20 8.400 10.331 -6.634 151 1HZ LYS 20 1HZ LYS 20 7.681 9.855 -9.084 152 2HZ LYS 20 2HZ LYS 20 8.099 8.256 -8.690 153 3HZ LYS 20 3HZ LYS 20 9.256 9.494 -8.571 154 H LEU 21 H LEU 21 4.574 3.000 -5.559 155 HA LEU 21 HA LEU 21 6.163 1.747 -3.356 156 1HB LEU 21 2HB LEU 21 3.245 2.547 -3.327 157 2HB LEU 21 1HB LEU 21 3.937 1.428 -2.163 158 HG LEU 21 HG LEU 21 5.641 3.718 -2.301 159 1HD1 LEU 21 1HD1 LEU 21 3.883 5.099 -3.095 160 2HD1 LEU 21 2HD1 LEU 21 3.876 5.338 -1.347 161 3HD1 LEU 21 3HD1 LEU 21 2.682 4.279 -2.097 162 1HD2 LEU 21 1HD2 LEU 21 4.272 3.826 0.105 163 2HD2 LEU 21 2HD2 LEU 21 5.712 2.855 -0.201 164 3HD2 LEU 21 3HD2 LEU 21 4.112 2.131 -0.357 165 H LYS 22 H LYS 22 5.217 -0.498 -2.899 166 HA LYS 22 HA LYS 22 3.571 -1.714 -4.946 167 1HB LYS 22 2HB LYS 22 6.093 -1.329 -5.726 168 2HB LYS 22 1HB LYS 22 6.347 -2.821 -4.819 169 1HG LYS 22 2HG LYS 22 3.980 -3.084 -6.437 170 2HG LYS 22 1HG LYS 22 5.324 -2.558 -7.450 171 1HD LYS 22 2HD LYS 22 6.157 -4.604 -5.556 172 2HD LYS 22 1HD LYS 22 4.836 -5.169 -6.578 173 1HE LYS 22 2HE LYS 22 6.068 -4.771 -8.581 174 2HE LYS 22 1HE LYS 22 7.270 -3.778 -7.731 175 1HZ LYS 22 1HZ LYS 22 7.870 -6.205 -8.173 176 2HZ LYS 22 2HZ LYS 22 6.754 -6.582 -6.948 177 3HZ LYS 22 3HZ LYS 22 8.110 -5.618 -6.600 178 H CYS 23 H CYS 23 2.693 -3.645 -4.190 179 HA CYS 23 HA CYS 23 2.671 -4.342 -1.498 180 1HB CYS 23 2HB CYS 23 1.118 -5.214 -3.195 181 2HB CYS 23 1HB CYS 23 2.428 -6.122 -3.948 182 H SER 24 H SER 24 3.804 -5.857 -0.237 183 HA SER 24 HA SER 24 6.322 -6.990 -1.380 184 1HB SER 24 2HB SER 24 5.809 -5.075 0.824 185 2HB SER 24 1HB SER 24 6.993 -6.331 1.172 186 HG SER 24 HG SER 24 8.179 -4.815 0.190 187 H LYS 25 H LYS 25 5.956 -9.182 -1.209 188 HA LYS 25 HA LYS 25 4.153 -10.458 0.593 189 1HB LYS 25 2HB LYS 25 6.678 -11.534 -0.709 190 2HB LYS 25 1HB LYS 25 5.296 -12.487 -0.168 191 1HG LYS 25 2HG LYS 25 4.017 -11.904 -1.968 192 2HG LYS 25 1HG LYS 25 4.670 -10.267 -2.029 193 1HD LYS 25 2HD LYS 25 6.886 -11.579 -2.736 194 2HD LYS 25 1HD LYS 25 5.707 -12.770 -3.285 195 1HE LYS 25 2HE LYS 25 4.609 -10.410 -4.209 196 2HE LYS 25 1HE LYS 25 6.349 -10.138 -4.426 197 1HZ LYS 25 1HZ LYS 25 4.637 -12.212 -5.584 198 2HZ LYS 25 2HZ LYS 25 6.237 -12.633 -5.199 199 3HZ LYS 25 3HZ LYS 25 5.928 -11.364 -6.285 200 H LEU 26 H LEU 26 7.328 -9.171 1.071 201 HA LEU 26 HA LEU 26 8.557 -10.664 3.033 202 1HB LEU 26 2HB LEU 26 8.020 -7.677 2.912 203 2HB LEU 26 1HB LEU 26 9.236 -8.415 3.953 204 HG LEU 26 HG LEU 26 9.141 -8.497 0.928 205 1HD1 LEU 26 1HD1 LEU 26 11.625 -7.669 2.147 206 2HD1 LEU 26 2HD1 LEU 26 10.296 -6.696 2.775 207 3HD1 LEU 26 3HD1 LEU 26 10.586 -6.774 1.038 208 1HD2 LEU 26 1HD2 LEU 26 10.012 -10.597 1.350 209 2HD2 LEU 26 2HD2 LEU 26 10.609 -10.142 2.946 210 3HD2 LEU 26 3HD2 LEU 26 11.488 -9.644 1.501 211 H PHE 27 H PHE 27 5.760 -8.509 3.467 212 HA PHE 27 HA PHE 27 5.073 -10.000 5.952 213 1HB PHE 27 2HB PHE 27 5.522 -7.031 5.615 214 2HB PHE 27 1HB PHE 27 4.590 -7.699 6.958 215 HD1 PHE 27 1HD PHE 27 7.913 -7.269 5.514 216 HD2 PHE 27 2HD PHE 27 5.651 -9.268 8.566 217 HE1 PHE 27 1HE PHE 27 10.015 -7.849 6.691 218 HE2 PHE 27 2HE PHE 27 7.748 -9.847 9.746 219 HZ PHE 27 HZ PHE 27 9.936 -9.138 8.811 220 H LYS 28 H LYS 28 4.090 -9.324 2.998 221 HA LYS 28 HA LYS 28 1.926 -9.392 2.019 222 1HB LYS 28 2HB LYS 28 0.736 -9.131 4.772 223 2HB LYS 28 1HB LYS 28 0.155 -10.073 3.402 224 1HG LYS 28 2HG LYS 28 2.640 -11.188 3.901 225 2HG LYS 28 1HG LYS 28 2.042 -10.823 5.519 226 1HD LYS 28 2HD LYS 28 -0.156 -11.895 4.094 227 2HD LYS 28 1HD LYS 28 1.223 -12.937 3.733 228 1HE LYS 28 2HE LYS 28 1.562 -13.488 6.000 229 2HE LYS 28 1HE LYS 28 0.645 -12.081 6.573 230 1HZ LYS 28 1HZ LYS 28 -0.364 -14.556 5.320 231 2HZ LYS 28 2HZ LYS 28 -1.265 -13.120 5.231 232 3HZ LYS 28 3HZ LYS 28 -0.888 -13.797 6.743 233 H LEU 29 H LEU 29 3.439 -6.896 3.073 234 HA LEU 29 HA LEU 29 1.085 -5.032 2.935 235 1HB LEU 29 2HB LEU 29 3.719 -4.392 4.263 236 2HB LEU 29 1HB LEU 29 2.138 -3.669 4.551 237 HG LEU 29 HG LEU 29 2.863 -6.536 5.216 238 1HD1 LEU 29 1HD1 LEU 29 2.499 -5.546 7.603 239 2HD1 LEU 29 2HD1 LEU 29 2.817 -3.994 6.829 240 3HD1 LEU 29 3HD1 LEU 29 4.042 -5.262 6.797 241 1HD2 LEU 29 1HD2 LEU 29 0.466 -4.953 6.150 242 2HD2 LEU 29 2HD2 LEU 29 0.701 -6.701 6.177 243 3HD2 LEU 29 3HD2 LEU 29 0.428 -5.871 4.645 244 H CYS 30 H CYS 30 1.913 -2.758 2.162 245 HA CYS 30 HA CYS 30 3.491 -3.250 -0.295 246 1HB CYS 30 2HB CYS 30 2.287 -1.441 -1.148 247 2HB CYS 30 1HB CYS 30 1.135 -2.159 -0.036 248 H ASN 31 H ASN 31 5.268 -1.955 -0.869 249 HA ASN 31 HA ASN 31 6.400 -0.197 1.278 250 1HB ASN 31 2HB ASN 31 7.260 -2.667 1.043 251 2HB ASN 31 1HB ASN 31 8.097 -2.053 -0.382 252 1HD2 ASN 31 1HD2 ASN 31 7.492 -0.388 2.756 253 2HD2 ASN 31 2HD2 ASN 31 9.133 -0.140 3.109 254 H PHE 32 H PHE 32 8.853 -0.155 -0.617 255 HA PHE 32 HA PHE 32 8.010 2.180 -2.149 256 1HB PHE 32 2HB PHE 32 10.436 0.773 -1.337 257 2HB PHE 32 1HB PHE 32 10.537 1.333 -3.005 258 HD1 PHE 32 1HD PHE 32 11.512 2.267 0.090 259 HD2 PHE 32 2HD PHE 32 9.116 3.801 -3.127 260 HE1 PHE 32 1HE PHE 32 11.920 4.580 0.891 261 HE2 PHE 32 2HE PHE 32 9.522 6.114 -2.327 262 HZ PHE 32 HZ PHE 32 10.924 6.502 -0.318 263 H SER 33 H SER 33 9.468 1.792 -4.541 264 HA SER 33 HA SER 33 8.220 -0.586 -5.838 265 1HB SER 33 2HB SER 33 6.791 1.548 -5.925 266 2HB SER 33 1HB SER 33 8.044 2.213 -6.971 267 HG SER 33 HG SER 33 7.660 0.004 -8.076 268 H PHE 34 H PHE 34 10.461 2.153 -6.077 269 HA PHE 34 HA PHE 34 12.121 0.523 -7.972 270 1HB PHE 34 2HB PHE 34 10.929 3.164 -8.162 271 2HB PHE 34 1HB PHE 34 12.683 3.259 -8.326 272 HD1 PHE 34 1HD PHE 34 10.154 0.670 -9.343 273 HD2 PHE 34 2HD PHE 34 13.270 3.383 -10.576 274 HE1 PHE 34 1HE PHE 34 9.987 -0.198 -11.671 275 HE2 PHE 34 2HE PHE 34 13.105 2.515 -12.905 276 HZ PHE 34 HZ PHE 34 11.462 0.724 -13.452 277 1HN NH2 35 1HN NH2 35 14.344 2.500 -8.007 278 2HN NH2 35 2HN NH2 35 15.113 2.438 -6.397 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -9.987 5.216 -1.930 2 2H GLY 1 2HT GLY 1 -9.028 5.649 -3.264 3 3H GLY 1 3HT GLY 1 -10.020 6.807 -2.516 4 1HA GLY 1 2HA GLY 1 -7.734 7.151 -1.862 5 2HA GLY 1 1HA GLY 1 -8.704 6.638 -0.482 6 H CYS 2 H CYS 2 -5.935 5.940 -2.318 7 HA CYS 2 HA CYS 2 -5.690 3.124 -2.115 8 1HB CYS 2 2HB CYS 2 -3.222 3.702 -2.152 9 2HB CYS 2 1HB CYS 2 -4.174 4.465 -3.422 10 H LEU 3 H LEU 3 -3.562 2.441 -0.605 11 HA LEU 3 HA LEU 3 -4.572 2.767 2.173 12 1HB LEU 3 2HB LEU 3 -2.752 0.818 0.736 13 2HB LEU 3 1HB LEU 3 -3.054 0.747 2.470 14 HG LEU 3 HG LEU 3 -5.571 0.799 1.791 15 1HD1 LEU 3 1HD1 LEU 3 -5.854 -0.423 -0.438 16 2HD1 LEU 3 2HD1 LEU 3 -4.181 0.022 -0.779 17 3HD1 LEU 3 3HD1 LEU 3 -5.396 1.277 -0.540 18 1HD2 LEU 3 1HD2 LEU 3 -5.384 -1.755 1.290 19 2HD2 LEU 3 2HD2 LEU 3 -4.787 -1.159 2.839 20 3HD2 LEU 3 3HD2 LEU 3 -3.654 -1.513 1.534 21 H GLU 4 H GLU 4 -2.118 2.012 3.439 22 HA GLU 4 HA GLU 4 -0.705 4.610 3.357 23 1HB GLU 4 2HB GLU 4 -1.588 3.178 5.387 24 2HB GLU 4 1HB GLU 4 -0.069 2.308 5.177 25 1HG GLU 4 2HG GLU 4 1.014 3.947 6.269 26 2HG GLU 4 1HG GLU 4 0.512 5.094 5.026 27 H PHE 5 H PHE 5 1.820 4.091 4.030 28 HA PHE 5 HA PHE 5 2.998 2.977 1.601 29 1HB PHE 5 2HB PHE 5 4.222 4.778 2.324 30 2HB PHE 5 1HB PHE 5 3.767 4.535 4.006 31 HD1 PHE 5 1HD PHE 5 4.924 2.716 5.344 32 HD2 PHE 5 2HD PHE 5 6.291 3.968 1.469 33 HE1 PHE 5 1HE PHE 5 7.135 1.684 5.790 34 HE2 PHE 5 2HE PHE 5 8.501 2.936 1.914 35 HZ PHE 5 HZ PHE 5 8.924 1.793 4.075 36 H TRP 6 H TRP 6 1.717 1.403 4.168 37 HA TRP 6 HA TRP 6 3.390 -0.978 3.732 38 1HB TRP 6 2HB TRP 6 4.599 0.511 5.389 39 2HB TRP 6 1HB TRP 6 3.227 0.310 6.476 40 HD1 TRP 6 HD TRP 6 3.430 -1.617 8.103 41 HE1 TRP 6 1HE TRP 6 4.768 -3.819 8.210 42 HE3 TRP 6 3HE TRP 6 5.760 -1.460 3.558 43 HZ2 TRP 6 2HZ TRP 6 6.587 -5.312 6.586 44 HZ3 TRP 6 3HZ TRP 6 7.289 -3.283 2.868 45 HH2 TRP 6 HH TRP 6 7.704 -5.206 4.375 46 H TRP 7 H TRP 7 0.733 -0.785 3.152 47 HA TRP 7 HA TRP 7 -0.688 -2.058 5.468 48 1HB TRP 7 2HB TRP 7 -1.408 -0.243 3.215 49 2HB TRP 7 1HB TRP 7 -2.628 -1.423 3.694 50 HD1 TRP 7 HD TRP 7 -0.363 -0.292 6.447 51 HE1 TRP 7 1HE TRP 7 -1.641 1.285 8.039 52 HE3 TRP 7 3HE TRP 7 -4.586 0.501 3.693 53 HZ2 TRP 7 2HZ TRP 7 -4.132 2.697 8.128 54 HZ3 TRP 7 3HZ TRP 7 -6.393 1.963 4.550 55 HH2 TRP 7 HH TRP 7 -6.171 3.062 6.761 56 H LYS 8 H LYS 8 -2.208 -3.866 4.787 57 HA LYS 8 HA LYS 8 -1.032 -6.014 3.538 58 1HB LYS 8 2HB LYS 8 -3.565 -6.412 2.721 59 2HB LYS 8 1HB LYS 8 -3.085 -6.576 4.400 60 1HG LYS 8 2HG LYS 8 -3.800 -3.825 3.578 61 2HG LYS 8 1HG LYS 8 -5.131 -4.980 3.535 62 1HD LYS 8 2HD LYS 8 -3.385 -5.075 5.938 63 2HD LYS 8 1HD LYS 8 -4.429 -3.661 5.780 64 1HE LYS 8 2HE LYS 8 -5.924 -5.087 6.830 65 2HE LYS 8 1HE LYS 8 -6.221 -5.587 5.154 66 1HZ LYS 8 1HZ LYS 8 -5.688 -7.485 6.604 67 2HZ LYS 8 2HZ LYS 8 -4.177 -6.787 6.950 68 3HZ LYS 8 3HZ LYS 8 -4.543 -7.285 5.368 69 H CYS 9 H CYS 9 -1.082 -6.885 1.375 70 HA CYS 9 HA CYS 9 -1.962 -5.131 -0.835 71 1HB CYS 9 2HB CYS 9 0.274 -4.730 -1.667 72 2HB CYS 9 1HB CYS 9 0.241 -4.256 0.031 73 H ASN 10 H ASN 10 -1.167 -6.135 -2.991 74 HA ASN 10 HA ASN 10 -0.610 -9.025 -2.935 75 1HB ASN 10 2HB ASN 10 -3.069 -8.725 -2.472 76 2HB ASN 10 1HB ASN 10 -3.218 -7.927 -4.038 77 1HD2 ASN 10 1HD2 ASN 10 -4.734 -10.173 -3.839 78 2HD2 ASN 10 2HD2 ASN 10 -4.032 -11.480 -4.662 79 HA PRO 11 HA PRO 11 1.326 -7.422 -6.618 80 1HB PRO 11 2HB PRO 11 2.273 -9.844 -7.515 81 2HB PRO 11 1HB PRO 11 3.056 -8.903 -6.226 82 1HG PRO 11 2HG PRO 11 1.174 -11.213 -6.002 83 2HG PRO 11 1HG PRO 11 2.670 -10.891 -5.107 84 1HD PRO 11 2HD PRO 11 0.264 -10.401 -4.023 85 2HD PRO 11 1HD PRO 11 1.659 -9.341 -3.706 86 H ASN 12 H ASN 12 -1.328 -9.530 -6.355 87 HA ASN 12 HA ASN 12 -1.719 -9.683 -9.311 88 1HB ASN 12 2HB ASN 12 -1.964 -11.579 -7.441 89 2HB ASN 12 1HB ASN 12 -3.576 -10.878 -7.286 90 1HD2 ASN 12 1HD2 ASN 12 -1.362 -12.438 -9.619 91 2HD2 ASN 12 2HD2 ASN 12 -2.577 -12.896 -10.712 92 H ASP 13 H ASP 13 -2.781 -8.039 -6.454 93 HA ASP 13 HA ASP 13 -4.470 -6.225 -7.994 94 1HB ASP 13 2HB ASP 13 -5.600 -8.621 -7.197 95 2HB ASP 13 1HB ASP 13 -6.068 -7.528 -5.894 96 H ASP 14 H ASP 14 -2.315 -5.551 -6.476 97 HA ASP 14 HA ASP 14 -2.875 -5.024 -3.689 98 1HB ASP 14 2HB ASP 14 -0.858 -3.520 -4.000 99 2HB ASP 14 1HB ASP 14 -0.616 -5.178 -4.552 100 H LYS 15 H LYS 15 -2.813 -2.612 -2.908 101 HA LYS 15 HA LYS 15 -4.315 -0.806 -4.746 102 1HB LYS 15 2HB LYS 15 -5.828 -2.273 -3.296 103 2HB LYS 15 1HB LYS 15 -5.195 -1.384 -1.908 104 1HG LYS 15 2HG LYS 15 -5.999 0.719 -2.815 105 2HG LYS 15 1HG LYS 15 -6.489 -0.069 -4.314 106 1HD LYS 15 2HD LYS 15 -7.853 -1.593 -2.551 107 2HD LYS 15 1HD LYS 15 -7.811 -0.076 -1.652 108 1HE LYS 15 2HE LYS 15 -9.686 0.373 -2.922 109 2HE LYS 15 1HE LYS 15 -8.475 0.857 -4.123 110 1HZ LYS 15 1HZ LYS 15 -8.718 -1.940 -4.171 111 2HZ LYS 15 2HZ LYS 15 -9.092 -0.834 -5.403 112 3HZ LYS 15 3HZ LYS 15 -10.277 -1.282 -4.272 113 H CYS 16 H CYS 16 -1.684 -1.128 -2.821 114 HA CYS 16 HA CYS 16 -1.688 1.096 -1.055 115 1HB CYS 16 2HB CYS 16 0.023 -0.800 -1.390 116 2HB CYS 16 1HB CYS 16 0.666 0.161 -2.722 117 H CYS 17 H CYS 17 -1.143 3.311 -1.389 118 HA CYS 17 HA CYS 17 -1.970 4.697 -3.631 119 1HB CYS 17 2HB CYS 17 0.452 5.308 -1.902 120 2HB CYS 17 1HB CYS 17 -0.490 6.484 -2.815 121 H ARG 18 H ARG 18 -0.631 5.754 -5.404 122 HA ARG 18 HA ARG 18 1.461 3.827 -6.347 123 1HB ARG 18 2HB ARG 18 -0.935 4.742 -7.450 124 2HB ARG 18 1HB ARG 18 0.321 5.602 -8.343 125 1HG ARG 18 2HG ARG 18 -0.031 3.528 -9.493 126 2HG ARG 18 1HG ARG 18 1.494 3.367 -8.619 127 1HD ARG 18 2HD ARG 18 0.273 2.226 -6.756 128 2HD ARG 18 1HD ARG 18 -1.208 2.292 -7.733 129 HE ARG 18 HE ARG 18 1.231 1.049 -8.910 130 1HH1 ARG 18 1HH1 ARG 18 -1.829 1.157 -9.753 131 2HH1 ARG 18 2HH1 ARG 18 -2.224 -0.517 -9.541 132 1HH2 ARG 18 1HH2 ARG 18 0.664 -1.246 -7.764 133 2HH2 ARG 18 2HH2 ARG 18 -0.811 -1.878 -8.415 134 HA PRO 19 HA PRO 19 3.221 8.246 -6.320 135 1HB PRO 19 2HB PRO 19 4.325 8.510 -3.832 136 2HB PRO 19 1HB PRO 19 2.675 9.046 -4.205 137 1HG PRO 19 2HG PRO 19 3.595 6.607 -2.790 138 2HG PRO 19 1HG PRO 19 2.158 7.601 -2.513 139 1HD PRO 19 2HD PRO 19 2.162 5.180 -3.838 140 2HD PRO 19 1HD PRO 19 0.918 6.437 -4.016 141 H LYS 20 H LYS 20 4.216 5.239 -4.836 142 HA LYS 20 HA LYS 20 6.435 4.666 -6.430 143 1HB LYS 20 2HB LYS 20 6.857 6.854 -4.555 144 2HB LYS 20 1HB LYS 20 7.995 5.539 -4.257 145 1HG LYS 20 2HG LYS 20 8.902 5.661 -6.418 146 2HG LYS 20 1HG LYS 20 7.494 6.508 -7.062 147 1HD LYS 20 2HD LYS 20 8.154 8.558 -6.196 148 2HD LYS 20 1HD LYS 20 9.083 7.822 -4.888 149 1HE LYS 20 2HE LYS 20 10.240 6.970 -7.368 150 2HE LYS 20 1HE LYS 20 10.065 8.736 -7.408 151 1HZ LYS 20 1HZ LYS 20 11.198 7.187 -5.137 152 2HZ LYS 20 2HZ LYS 20 11.071 8.878 -5.234 153 3HZ LYS 20 3HZ LYS 20 12.119 8.042 -6.278 154 H LEU 21 H LEU 21 4.374 3.368 -4.828 155 HA LEU 21 HA LEU 21 6.075 1.766 -2.939 156 1HB LEU 21 2HB LEU 21 3.068 2.174 -2.872 157 2HB LEU 21 1HB LEU 21 4.085 1.527 -1.585 158 HG LEU 21 HG LEU 21 4.550 4.310 -2.655 159 1HD1 LEU 21 1HD1 LEU 21 2.883 3.889 -0.211 160 2HD1 LEU 21 2HD1 LEU 21 2.101 3.720 -1.782 161 3HD1 LEU 21 3HD1 LEU 21 2.888 5.238 -1.348 162 1HD2 LEU 21 1HD2 LEU 21 5.992 2.800 -0.941 163 2HD2 LEU 21 2HD2 LEU 21 4.860 3.526 0.199 164 3HD2 LEU 21 3HD2 LEU 21 5.886 4.555 -0.801 165 H LYS 22 H LYS 22 5.284 -0.542 -2.736 166 HA LYS 22 HA LYS 22 3.637 -1.626 -4.872 167 1HB LYS 22 2HB LYS 22 5.978 -1.115 -5.798 168 2HB LYS 22 1HB LYS 22 6.554 -2.407 -4.746 169 1HG LYS 22 2HG LYS 22 4.326 -3.501 -6.042 170 2HG LYS 22 1HG LYS 22 5.177 -2.601 -7.299 171 1HD LYS 22 2HD LYS 22 7.316 -3.729 -6.455 172 2HD LYS 22 1HD LYS 22 6.262 -4.806 -5.539 173 1HE LYS 22 2HE LYS 22 5.359 -4.558 -8.302 174 2HE LYS 22 1HE LYS 22 7.029 -5.156 -8.206 175 1HZ LYS 22 1HZ LYS 22 6.405 -7.006 -7.112 176 2HZ LYS 22 2HZ LYS 22 4.885 -6.705 -7.809 177 3HZ LYS 22 3HZ LYS 22 5.204 -6.213 -6.214 178 H CYS 23 H CYS 23 2.737 -3.560 -4.163 179 HA CYS 23 HA CYS 23 2.710 -4.471 -1.580 180 1HB CYS 23 2HB CYS 23 1.366 -5.328 -3.506 181 2HB CYS 23 1HB CYS 23 2.780 -6.221 -4.062 182 H SER 24 H SER 24 3.965 -5.816 -0.273 183 HA SER 24 HA SER 24 6.575 -6.780 -1.380 184 1HB SER 24 2HB SER 24 5.915 -4.866 0.781 185 2HB SER 24 1HB SER 24 7.153 -6.050 1.188 186 HG SER 24 HG SER 24 8.242 -5.418 -0.738 187 H LYS 25 H LYS 25 6.525 -8.977 -1.122 188 HA LYS 25 HA LYS 25 4.750 -10.385 0.628 189 1HB LYS 25 2HB LYS 25 7.157 -10.970 -1.056 190 2HB LYS 25 1HB LYS 25 6.608 -12.212 0.071 191 1HG LYS 25 2HG LYS 25 4.343 -12.100 -0.906 192 2HG LYS 25 1HG LYS 25 4.893 -10.865 -2.038 193 1HD LYS 25 2HD LYS 25 6.740 -12.687 -2.604 194 2HD LYS 25 1HD LYS 25 5.518 -13.792 -1.974 195 1HE LYS 25 2HE LYS 25 4.010 -12.156 -3.608 196 2HE LYS 25 1HE LYS 25 5.535 -12.290 -4.506 197 1HZ LYS 25 1HZ LYS 25 3.897 -14.155 -4.865 198 2HZ LYS 25 2HZ LYS 25 4.198 -14.625 -3.260 199 3HZ LYS 25 3HZ LYS 25 5.457 -14.629 -4.401 200 H LEU 26 H LEU 26 7.828 -8.865 1.167 201 HA LEU 26 HA LEU 26 9.078 -10.251 3.200 202 1HB LEU 26 2HB LEU 26 8.483 -7.353 2.676 203 2HB LEU 26 1HB LEU 26 9.309 -7.790 4.170 204 HG LEU 26 HG LEU 26 10.853 -9.204 2.592 205 1HD1 LEU 26 1HD1 LEU 26 10.075 -9.075 0.446 206 2HD1 LEU 26 2HD1 LEU 26 10.973 -7.556 0.432 207 3HD1 LEU 26 3HD1 LEU 26 9.235 -7.551 0.737 208 1HD2 LEU 26 1HD2 LEU 26 11.303 -6.288 2.183 209 2HD2 LEU 26 2HD2 LEU 26 12.398 -7.515 2.820 210 3HD2 LEU 26 3HD2 LEU 26 11.139 -6.834 3.851 211 H PHE 27 H PHE 27 6.177 -8.196 3.534 212 HA PHE 27 HA PHE 27 5.530 -9.653 6.064 213 1HB PHE 27 2HB PHE 27 5.811 -6.704 5.536 214 2HB PHE 27 1HB PHE 27 4.736 -7.288 6.810 215 HD1 PHE 27 1HD PHE 27 8.188 -6.775 5.787 216 HD2 PHE 27 2HD PHE 27 5.648 -8.703 8.663 217 HE1 PHE 27 1HE PHE 27 10.137 -7.120 7.278 218 HE2 PHE 27 2HE PHE 27 7.594 -9.049 10.155 219 HZ PHE 27 HZ PHE 27 9.843 -8.256 9.463 220 H LYS 28 H LYS 28 4.552 -9.150 3.035 221 HA LYS 28 HA LYS 28 2.425 -9.466 2.025 222 1HB LYS 28 2HB LYS 28 1.168 -9.319 4.757 223 2HB LYS 28 1HB LYS 28 0.715 -10.326 3.383 224 1HG LYS 28 2HG LYS 28 3.333 -11.113 3.985 225 2HG LYS 28 1HG LYS 28 2.564 -10.900 5.559 226 1HD LYS 28 2HD LYS 28 1.512 -12.870 5.283 227 2HD LYS 28 1HD LYS 28 0.672 -12.201 3.883 228 1HE LYS 28 2HE LYS 28 1.808 -14.089 2.997 229 2HE LYS 28 1HE LYS 28 2.892 -12.742 2.598 230 1HZ LYS 28 1HZ LYS 28 4.308 -14.190 3.675 231 2HZ LYS 28 2HZ LYS 28 3.123 -14.720 4.769 232 3HZ LYS 28 3HZ LYS 28 3.825 -13.183 4.949 233 H LEU 29 H LEU 29 3.638 -6.808 2.985 234 HA LEU 29 HA LEU 29 1.099 -5.206 2.805 235 1HB LEU 29 2HB LEU 29 3.658 -4.469 4.264 236 2HB LEU 29 1HB LEU 29 2.115 -3.621 4.335 237 HG LEU 29 HG LEU 29 1.948 -6.484 5.021 238 1HD1 LEU 29 1HD1 LEU 29 3.176 -4.651 7.071 239 2HD1 LEU 29 2HD1 LEU 29 4.199 -5.576 5.971 240 3HD1 LEU 29 3HD1 LEU 29 3.100 -6.413 7.068 241 1HD2 LEU 29 1HD2 LEU 29 0.240 -4.488 5.235 242 2HD2 LEU 29 2HD2 LEU 29 1.107 -4.162 6.735 243 3HD2 LEU 29 3HD2 LEU 29 0.309 -5.717 6.497 244 H CYS 30 H CYS 30 1.767 -2.839 2.065 245 HA CYS 30 HA CYS 30 3.369 -3.201 -0.392 246 1HB CYS 30 2HB CYS 30 2.102 -1.411 -1.195 247 2HB CYS 30 1HB CYS 30 0.980 -2.194 -0.100 248 H ASN 31 H ASN 31 5.378 -2.352 -0.620 249 HA ASN 31 HA ASN 31 6.338 -0.435 1.481 250 1HB ASN 31 2HB ASN 31 7.265 -2.899 1.012 251 2HB ASN 31 1HB ASN 31 8.170 -2.057 -0.247 252 1HD2 ASN 31 1HD2 ASN 31 9.353 -3.237 2.179 253 2HD2 ASN 31 2HD2 ASN 31 10.052 -1.959 3.051 254 H PHE 32 H PHE 32 8.781 -0.061 -0.268 255 HA PHE 32 HA PHE 32 7.666 2.113 -1.918 256 1HB PHE 32 2HB PHE 32 10.057 1.542 -0.534 257 2HB PHE 32 1HB PHE 32 10.499 1.593 -2.236 258 HD1 PHE 32 1HD PHE 32 8.213 3.471 0.087 259 HD2 PHE 32 2HD PHE 32 11.145 3.668 -3.047 260 HE1 PHE 32 1HE PHE 32 8.083 5.947 0.120 261 HE2 PHE 32 2HE PHE 32 11.015 6.142 -3.014 262 HZ PHE 32 HZ PHE 32 9.483 7.283 -1.431 263 H SER 33 H SER 33 9.459 2.113 -4.031 264 HA SER 33 HA SER 33 8.629 -0.332 -5.560 265 1HB SER 33 2HB SER 33 7.730 1.225 -6.931 266 2HB SER 33 1HB SER 33 8.464 2.529 -6.002 267 HG SER 33 HG SER 33 9.100 2.077 -8.347 268 H PHE 34 H PHE 34 10.263 -0.274 -7.690 269 HA PHE 34 HA PHE 34 13.050 -0.218 -6.577 270 1HB PHE 34 2HB PHE 34 13.354 -2.284 -8.025 271 2HB PHE 34 1HB PHE 34 12.247 -2.496 -6.669 272 HD1 PHE 34 1HD PHE 34 9.945 -3.000 -7.005 273 HD2 PHE 34 2HD PHE 34 12.421 -1.815 -10.331 274 HE1 PHE 34 1HE PHE 34 8.121 -3.621 -8.583 275 HE2 PHE 34 2HE PHE 34 10.598 -2.439 -11.910 276 HZ PHE 34 HZ PHE 34 8.447 -3.341 -11.035 277 1HN NH2 35 1HN NH2 35 14.553 -0.852 -8.875 278 2HN NH2 35 2HN NH2 35 14.270 0.371 -10.143 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -9.711 7.642 -1.501 2 2H GLY 1 2HT GLY 1 -9.444 5.981 -1.262 3 3H GLY 1 3HT GLY 1 -9.563 6.606 -2.837 4 1HA GLY 1 2HA GLY 1 -7.497 7.621 -2.755 5 2HA GLY 1 1HA GLY 1 -7.464 7.555 -0.992 6 H CYS 2 H CYS 2 -5.419 6.423 -1.059 7 HA CYS 2 HA CYS 2 -5.660 3.574 -1.949 8 1HB CYS 2 2HB CYS 2 -3.088 3.852 -2.116 9 2HB CYS 2 1HB CYS 2 -4.071 4.610 -3.361 10 H LEU 3 H LEU 3 -3.673 2.354 -0.706 11 HA LEU 3 HA LEU 3 -4.351 2.600 2.155 12 1HB LEU 3 2HB LEU 3 -2.737 0.682 0.455 13 2HB LEU 3 1HB LEU 3 -2.912 0.499 2.198 14 HG LEU 3 HG LEU 3 -5.485 0.764 1.649 15 1HD1 LEU 3 1HD1 LEU 3 -5.424 1.201 -0.676 16 2HD1 LEU 3 2HD1 LEU 3 -5.865 -0.503 -0.570 17 3HD1 LEU 3 3HD1 LEU 3 -4.208 -0.045 -0.963 18 1HD2 LEU 3 1HD2 LEU 3 -4.146 -1.248 2.556 19 2HD2 LEU 3 2HD2 LEU 3 -4.145 -1.836 0.894 20 3HD2 LEU 3 3HD2 LEU 3 -5.672 -1.602 1.745 21 H GLU 4 H GLU 4 -2.585 2.619 3.783 22 HA GLU 4 HA GLU 4 -0.777 4.767 3.525 23 1HB GLU 4 2HB GLU 4 -1.293 2.489 5.326 24 2HB GLU 4 1HB GLU 4 0.355 3.114 5.406 25 1HG GLU 4 2HG GLU 4 -0.692 5.442 5.591 26 2HG GLU 4 1HG GLU 4 -2.225 4.617 5.876 27 H PHE 5 H PHE 5 1.732 3.977 4.226 28 HA PHE 5 HA PHE 5 2.751 2.863 1.689 29 1HB PHE 5 2HB PHE 5 4.361 4.387 2.131 30 2HB PHE 5 1HB PHE 5 3.507 4.812 3.609 31 HD1 PHE 5 1HD PHE 5 6.428 3.224 2.191 32 HD2 PHE 5 2HD PHE 5 4.033 3.524 5.745 33 HE1 PHE 5 1HE PHE 5 8.297 2.293 3.529 34 HE2 PHE 5 2HE PHE 5 5.903 2.592 7.083 35 HZ PHE 5 HZ PHE 5 8.035 1.977 5.975 36 H TRP 6 H TRP 6 1.532 1.315 4.209 37 HA TRP 6 HA TRP 6 3.279 -1.021 3.866 38 1HB TRP 6 2HB TRP 6 4.432 0.511 5.517 39 2HB TRP 6 1HB TRP 6 3.042 0.317 6.584 40 HD1 TRP 6 HD TRP 6 3.300 -1.534 8.291 41 HE1 TRP 6 1HE TRP 6 4.645 -3.728 8.460 42 HE3 TRP 6 3HE TRP 6 5.565 -1.540 3.712 43 HZ2 TRP 6 2HZ TRP 6 6.442 -5.278 6.866 44 HZ3 TRP 6 3HZ TRP 6 7.087 -3.385 3.066 45 HH2 TRP 6 HH TRP 6 7.529 -5.253 4.636 46 H TRP 7 H TRP 7 0.676 -0.987 3.197 47 HA TRP 7 HA TRP 7 -0.796 -2.203 5.513 48 1HB TRP 7 2HB TRP 7 -1.500 -0.519 3.147 49 2HB TRP 7 1HB TRP 7 -2.698 -1.702 3.671 50 HD1 TRP 7 HD TRP 7 -0.588 -0.503 6.466 51 HE1 TRP 7 1HE TRP 7 -1.899 1.168 7.930 52 HE3 TRP 7 3HE TRP 7 -4.601 0.365 3.432 53 HZ2 TRP 7 2HZ TRP 7 -4.329 2.672 7.826 54 HZ3 TRP 7 3HZ TRP 7 -6.397 1.922 4.139 55 HH2 TRP 7 HH TRP 7 -6.266 3.076 6.329 56 H LYS 8 H LYS 8 -2.057 -4.173 4.987 57 HA LYS 8 HA LYS 8 -0.701 -6.194 3.630 58 1HB LYS 8 2HB LYS 8 -3.707 -5.976 3.542 59 2HB LYS 8 1HB LYS 8 -2.727 -7.419 3.750 60 1HG LYS 8 2HG LYS 8 -3.080 -7.185 5.968 61 2HG LYS 8 1HG LYS 8 -1.960 -5.825 5.889 62 1HD LYS 8 2HD LYS 8 -4.114 -4.502 5.115 63 2HD LYS 8 1HD LYS 8 -4.956 -5.810 5.947 64 1HE LYS 8 2HE LYS 8 -4.046 -5.243 8.038 65 2HE LYS 8 1HE LYS 8 -2.680 -4.374 7.311 66 1HZ LYS 8 1HZ LYS 8 -4.871 -3.144 8.183 67 2HZ LYS 8 2HZ LYS 8 -5.333 -3.443 6.575 68 3HZ LYS 8 3HZ LYS 8 -3.926 -2.552 6.906 69 H CYS 9 H CYS 9 -0.921 -7.070 1.472 70 HA CYS 9 HA CYS 9 -2.407 -5.546 -0.559 71 1HB CYS 9 2HB CYS 9 -0.314 -4.890 -1.740 72 2HB CYS 9 1HB CYS 9 -0.424 -4.160 -0.138 73 H ASN 10 H ASN 10 -1.218 -6.359 -2.824 74 HA ASN 10 HA ASN 10 -0.429 -9.183 -2.736 75 1HB ASN 10 2HB ASN 10 -2.946 -9.089 -2.419 76 2HB ASN 10 1HB ASN 10 -3.052 -8.369 -4.027 77 1HD2 ASN 10 1HD2 ASN 10 -4.369 -10.689 -3.980 78 2HD2 ASN 10 2HD2 ASN 10 -3.469 -11.971 -4.635 79 HA PRO 11 HA PRO 11 1.497 -7.307 -6.313 80 1HB PRO 11 2HB PRO 11 2.924 -9.534 -7.052 81 2HB PRO 11 1HB PRO 11 3.423 -8.447 -5.738 82 1HG PRO 11 2HG PRO 11 1.986 -11.060 -5.586 83 2HG PRO 11 1HG PRO 11 3.309 -10.442 -4.581 84 1HD PRO 11 2HD PRO 11 0.748 -10.406 -3.745 85 2HD PRO 11 1HD PRO 11 1.904 -9.128 -3.300 86 H ASN 12 H ASN 12 -1.094 -7.845 -6.784 87 HA ASN 12 HA ASN 12 -1.109 -8.964 -9.492 88 1HB ASN 12 2HB ASN 12 -1.298 -10.974 -8.089 89 2HB ASN 12 1HB ASN 12 -2.622 -10.239 -7.184 90 1HD2 ASN 12 1HD2 ASN 12 -2.241 -9.913 -10.708 91 2HD2 ASN 12 2HD2 ASN 12 -3.621 -10.814 -11.110 92 H ASP 13 H ASP 13 -2.952 -7.803 -6.694 93 HA ASP 13 HA ASP 13 -4.401 -5.883 -8.402 94 1HB ASP 13 2HB ASP 13 -5.546 -8.229 -8.303 95 2HB ASP 13 1HB ASP 13 -5.963 -7.781 -6.648 96 H ASP 14 H ASP 14 -2.507 -5.361 -6.455 97 HA ASP 14 HA ASP 14 -3.706 -4.903 -3.833 98 1HB ASP 14 2HB ASP 14 -1.539 -3.997 -3.336 99 2HB ASP 14 1HB ASP 14 -1.261 -5.337 -4.449 100 H LYS 15 H LYS 15 -3.186 -2.400 -3.062 101 HA LYS 15 HA LYS 15 -4.228 -0.527 -5.127 102 1HB LYS 15 2HB LYS 15 -6.099 -1.664 -3.862 103 2HB LYS 15 1HB LYS 15 -5.494 -0.885 -2.401 104 1HG LYS 15 2HG LYS 15 -6.830 0.853 -2.973 105 2HG LYS 15 1HG LYS 15 -5.613 1.211 -4.199 106 1HD LYS 15 2HD LYS 15 -7.419 -0.902 -5.069 107 2HD LYS 15 1HD LYS 15 -8.293 0.577 -4.673 108 1HE LYS 15 2HE LYS 15 -7.562 1.567 -6.575 109 2HE LYS 15 1HE LYS 15 -5.874 1.209 -6.151 110 1HZ LYS 15 1HZ LYS 15 -7.040 0.047 -8.193 111 2HZ LYS 15 2HZ LYS 15 -7.585 -1.015 -6.984 112 3HZ LYS 15 3HZ LYS 15 -5.920 -0.782 -7.228 113 H CYS 16 H CYS 16 -1.938 -1.079 -2.781 114 HA CYS 16 HA CYS 16 -1.818 1.194 -1.147 115 1HB CYS 16 2HB CYS 16 -0.218 -0.813 -1.337 116 2HB CYS 16 1HB CYS 16 0.554 0.060 -2.664 117 H CYS 17 H CYS 17 -1.061 3.347 -1.484 118 HA CYS 17 HA CYS 17 -1.708 4.774 -3.751 119 1HB CYS 17 2HB CYS 17 0.754 5.171 -2.016 120 2HB CYS 17 1HB CYS 17 -0.072 6.421 -2.942 121 H ARG 18 H ARG 18 -0.526 5.432 -5.683 122 HA ARG 18 HA ARG 18 1.629 3.492 -6.419 123 1HB ARG 18 2HB ARG 18 -0.808 4.215 -7.587 124 2HB ARG 18 1HB ARG 18 0.418 4.989 -8.592 125 1HG ARG 18 2HG ARG 18 0.215 2.840 -9.540 126 2HG ARG 18 1HG ARG 18 1.634 2.698 -8.500 127 1HD ARG 18 2HD ARG 18 0.316 1.645 -6.745 128 2HD ARG 18 1HD ARG 18 -1.180 1.914 -7.662 129 HE ARG 18 HE ARG 18 -0.158 0.443 -9.457 130 1HH1 ARG 18 1HH1 ARG 18 -0.537 -0.651 -6.436 131 2HH1 ARG 18 2HH1 ARG 18 0.751 -1.810 -6.442 132 1HH2 ARG 18 1HH2 ARG 18 2.162 -0.623 -9.379 133 2HH2 ARG 18 2HH2 ARG 18 2.279 -1.795 -8.108 134 HA PRO 19 HA PRO 19 3.204 7.964 -7.074 135 1HB PRO 19 2HB PRO 19 4.054 8.846 -4.631 136 2HB PRO 19 1HB PRO 19 2.436 9.196 -5.269 137 1HG PRO 19 2HG PRO 19 3.279 7.207 -3.240 138 2HG PRO 19 1HG PRO 19 1.791 8.157 -3.343 139 1HD PRO 19 2HD PRO 19 2.011 5.504 -4.048 140 2HD PRO 19 1HD PRO 19 0.748 6.607 -4.628 141 H LYS 20 H LYS 20 4.174 5.328 -4.992 142 HA LYS 20 HA LYS 20 6.638 4.831 -6.288 143 1HB LYS 20 2HB LYS 20 6.594 7.082 -4.446 144 2HB LYS 20 1HB LYS 20 7.781 5.875 -3.949 145 1HG LYS 20 2HG LYS 20 9.048 6.129 -5.863 146 2HG LYS 20 1HG LYS 20 7.658 6.591 -6.846 147 1HD LYS 20 2HD LYS 20 8.788 8.624 -6.628 148 2HD LYS 20 1HD LYS 20 7.618 8.716 -5.311 149 1HE LYS 20 2HE LYS 20 10.141 7.369 -4.573 150 2HE LYS 20 1HE LYS 20 10.320 9.086 -4.981 151 1HZ LYS 20 1HZ LYS 20 7.949 8.697 -3.493 152 2HZ LYS 20 2HZ LYS 20 9.300 9.649 -3.107 153 3HZ LYS 20 3HZ LYS 20 9.252 8.015 -2.648 154 H LEU 21 H LEU 21 4.423 3.441 -4.864 155 HA LEU 21 HA LEU 21 6.089 1.888 -2.903 156 1HB LEU 21 2HB LEU 21 3.120 2.511 -2.837 157 2HB LEU 21 1HB LEU 21 3.978 1.540 -1.643 158 HG LEU 21 HG LEU 21 5.510 3.822 -1.708 159 1HD1 LEU 21 1HD1 LEU 21 2.956 4.463 -2.872 160 2HD1 LEU 21 2HD1 LEU 21 4.331 5.528 -2.587 161 3HD1 LEU 21 3HD1 LEU 21 3.117 5.296 -1.328 162 1HD2 LEU 21 1HD2 LEU 21 4.996 3.732 0.492 163 2HD2 LEU 21 2HD2 LEU 21 3.883 2.423 0.096 164 3HD2 LEU 21 3HD2 LEU 21 3.299 4.085 0.171 165 H LYS 22 H LYS 22 5.239 -0.383 -2.663 166 HA LYS 22 HA LYS 22 3.583 -1.478 -4.774 167 1HB LYS 22 2HB LYS 22 5.674 -1.140 -5.982 168 2HB LYS 22 1HB LYS 22 6.582 -1.927 -4.691 169 1HG LYS 22 2HG LYS 22 5.841 -4.048 -5.274 170 2HG LYS 22 1HG LYS 22 4.353 -3.441 -6.002 171 1HD LYS 22 2HD LYS 22 6.026 -2.296 -7.702 172 2HD LYS 22 1HD LYS 22 7.114 -3.577 -7.164 173 1HE LYS 22 2HE LYS 22 5.445 -5.282 -7.776 174 2HE LYS 22 1HE LYS 22 4.320 -4.008 -8.285 175 1HZ LYS 22 1HZ LYS 22 5.647 -4.872 -10.149 176 2HZ LYS 22 2HZ LYS 22 7.066 -4.374 -9.360 177 3HZ LYS 22 3HZ LYS 22 5.928 -3.223 -9.875 178 H CYS 23 H CYS 23 2.745 -3.475 -4.100 179 HA CYS 23 HA CYS 23 2.713 -4.297 -1.475 180 1HB CYS 23 2HB CYS 23 1.415 -5.210 -3.451 181 2HB CYS 23 1HB CYS 23 2.833 -6.178 -3.850 182 H SER 24 H SER 24 3.848 -5.972 -0.279 183 HA SER 24 HA SER 24 6.598 -6.599 -1.293 184 1HB SER 24 2HB SER 24 6.005 -4.702 0.597 185 2HB SER 24 1HB SER 24 6.270 -6.118 1.606 186 HG SER 24 HG SER 24 8.317 -6.009 1.156 187 H LYS 25 H LYS 25 6.344 -8.808 -1.578 188 HA LYS 25 HA LYS 25 4.676 -10.534 -0.044 189 1HB LYS 25 2HB LYS 25 7.210 -10.976 -1.655 190 2HB LYS 25 1HB LYS 25 6.173 -12.284 -1.085 191 1HG LYS 25 2HG LYS 25 4.842 -11.992 -2.874 192 2HG LYS 25 1HG LYS 25 4.488 -10.353 -2.325 193 1HD LYS 25 2HD LYS 25 5.623 -9.553 -4.095 194 2HD LYS 25 1HD LYS 25 7.092 -10.281 -3.442 195 1HE LYS 25 2HE LYS 25 5.106 -11.574 -5.344 196 2HE LYS 25 1HE LYS 25 6.813 -11.195 -5.659 197 1HZ LYS 25 1HZ LYS 25 5.657 -13.322 -4.032 198 2HZ LYS 25 2HZ LYS 25 7.055 -12.575 -3.420 199 3HZ LYS 25 3HZ LYS 25 7.085 -13.316 -4.949 200 H LEU 26 H LEU 26 7.965 -9.367 0.484 201 HA LEU 26 HA LEU 26 9.008 -11.170 2.332 202 1HB LEU 26 2HB LEU 26 9.054 -8.171 2.050 203 2HB LEU 26 1HB LEU 26 9.935 -8.951 3.364 204 HG LEU 26 HG LEU 26 10.356 -10.258 0.776 205 1HD1 LEU 26 1HD1 LEU 26 11.149 -8.542 -0.483 206 2HD1 LEU 26 2HD1 LEU 26 11.887 -7.745 0.907 207 3HD1 LEU 26 3HD1 LEU 26 10.169 -7.523 0.572 208 1HD2 LEU 26 1HD2 LEU 26 11.610 -10.224 3.168 209 2HD2 LEU 26 2HD2 LEU 26 12.544 -8.979 2.338 210 3HD2 LEU 26 3HD2 LEU 26 12.447 -10.605 1.664 211 H PHE 27 H PHE 27 6.534 -8.674 2.874 212 HA PHE 27 HA PHE 27 5.938 -9.974 5.509 213 1HB PHE 27 2HB PHE 27 6.535 -7.145 4.784 214 2HB PHE 27 1HB PHE 27 5.293 -7.434 6.005 215 HD1 PHE 27 1HD PHE 27 5.852 -8.229 8.196 216 HD2 PHE 27 2HD PHE 27 8.848 -8.058 5.122 217 HE1 PHE 27 1HE PHE 27 7.611 -8.679 9.884 218 HE2 PHE 27 2HE PHE 27 10.607 -8.505 6.813 219 HZ PHE 27 HZ PHE 27 9.989 -8.817 9.194 220 H LYS 28 H LYS 28 4.798 -9.228 2.479 221 HA LYS 28 HA LYS 28 2.607 -9.445 1.597 222 1HB LYS 28 2HB LYS 28 1.510 -9.573 4.394 223 2HB LYS 28 1HB LYS 28 1.001 -10.463 2.960 224 1HG LYS 28 2HG LYS 28 3.628 -11.286 3.316 225 2HG LYS 28 1HG LYS 28 3.017 -11.160 4.966 226 1HD LYS 28 2HD LYS 28 1.714 -12.989 4.714 227 2HD LYS 28 1HD LYS 28 1.063 -12.395 3.186 228 1HE LYS 28 2HE LYS 28 3.875 -13.464 3.257 229 2HE LYS 28 1HE LYS 28 2.507 -14.594 3.178 230 1HZ LYS 28 1HZ LYS 28 1.670 -13.515 1.259 231 2HZ LYS 28 2HZ LYS 28 3.323 -13.777 0.967 232 3HZ LYS 28 3HZ LYS 28 2.769 -12.232 1.401 233 H LEU 29 H LEU 29 3.880 -6.883 2.742 234 HA LEU 29 HA LEU 29 1.330 -5.291 2.830 235 1HB LEU 29 2HB LEU 29 3.890 -4.506 4.232 236 2HB LEU 29 1HB LEU 29 2.248 -3.962 4.562 237 HG LEU 29 HG LEU 29 3.207 -6.807 4.980 238 1HD1 LEU 29 1HD1 LEU 29 2.772 -6.002 7.454 239 2HD1 LEU 29 2HD1 LEU 29 3.083 -4.404 6.777 240 3HD1 LEU 29 3HD1 LEU 29 4.318 -5.660 6.678 241 1HD2 LEU 29 1HD2 LEU 29 0.997 -6.488 6.510 242 2HD2 LEU 29 2HD2 LEU 29 0.930 -7.067 4.846 243 3HD2 LEU 29 3HD2 LEU 29 0.614 -5.369 5.202 244 H CYS 30 H CYS 30 1.663 -3.027 1.985 245 HA CYS 30 HA CYS 30 3.448 -3.100 -0.346 246 1HB CYS 30 2HB CYS 30 2.081 -1.392 -1.142 247 2HB CYS 30 1HB CYS 30 0.976 -2.277 -0.114 248 H ASN 31 H ASN 31 5.419 -2.176 -0.408 249 HA ASN 31 HA ASN 31 6.136 -0.256 1.789 250 1HB ASN 31 2HB ASN 31 7.225 -2.650 1.340 251 2HB ASN 31 1HB ASN 31 8.165 -1.738 0.160 252 1HD2 ASN 31 1HD2 ASN 31 10.042 -2.235 1.684 253 2HD2 ASN 31 2HD2 ASN 31 10.274 -1.220 3.026 254 H PHE 32 H PHE 32 8.625 0.454 0.425 255 HA PHE 32 HA PHE 32 7.511 2.454 -1.455 256 1HB PHE 32 2HB PHE 32 10.006 2.007 0.126 257 2HB PHE 32 1HB PHE 32 10.128 3.013 -1.315 258 HD1 PHE 32 1HD PHE 32 9.364 3.010 2.135 259 HD2 PHE 32 2HD PHE 32 8.205 4.818 -1.585 260 HE1 PHE 32 1HE PHE 32 8.364 4.914 3.371 261 HE2 PHE 32 2HE PHE 32 7.206 6.722 -0.349 262 HZ PHE 32 HZ PHE 32 7.285 6.769 2.130 263 H SER 33 H SER 33 9.458 2.872 -3.259 264 HA SER 33 HA SER 33 9.879 0.232 -4.621 265 1HB SER 33 2HB SER 33 8.207 1.141 -5.922 266 2HB SER 33 1HB SER 33 8.609 2.793 -5.463 267 HG SER 33 HG SER 33 9.816 2.911 -7.172 268 H PHE 34 H PHE 34 11.656 2.154 -2.976 269 HA PHE 34 HA PHE 34 13.978 1.998 -4.773 270 1HB PHE 34 2HB PHE 34 14.314 4.342 -4.990 271 2HB PHE 34 1HB PHE 34 12.589 4.120 -5.278 272 HD1 PHE 34 1HD PHE 34 11.225 3.965 -2.867 273 HD2 PHE 34 2HD PHE 34 14.834 6.185 -3.673 274 HE1 PHE 34 1HE PHE 34 10.712 5.490 -0.968 275 HE2 PHE 34 2HE PHE 34 14.320 7.710 -1.774 276 HZ PHE 34 HZ PHE 34 12.258 7.364 -0.421 277 1HN NH2 35 1HN NH2 35 12.628 1.581 -1.741 278 2HN NH2 35 2HN NH2 35 14.049 1.904 -0.713
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