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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 | in_recoord | stage | position | program | type |
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6075 |
1ie6 ![]() ![]() |
cing | recoord | 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 -9.961 12.301 -4.531 2 2H GLY 1 2HT GLY 1 -10.852 10.856 -4.591 3 3H GLY 1 3HT GLY 1 -10.878 11.928 -5.908 4 1HA GLY 1 2HA GLY 1 -9.303 9.766 -5.757 5 2HA GLY 1 1HA GLY 1 -8.954 11.184 -6.746 6 H ASP 2 H ASP 2 -7.691 9.209 -4.386 7 HA ASP 2 HA ASP 2 -5.381 10.932 -3.979 8 1HB ASP 2 2HB ASP 2 -6.882 12.062 -2.475 9 2HB ASP 2 1HB ASP 2 -7.450 10.533 -1.800 10 H CYS 3 H CYS 3 -3.754 9.439 -3.941 11 HA CYS 3 HA CYS 3 -4.295 6.647 -3.194 12 1HB CYS 3 2HB CYS 3 -1.956 6.368 -3.978 13 2HB CYS 3 1HB CYS 3 -2.919 7.281 -5.144 14 H LEU 4 H LEU 4 -3.124 5.536 -1.506 15 HA LEU 4 HA LEU 4 -2.594 7.210 0.858 16 1HB LEU 4 2HB LEU 4 -2.298 4.211 0.503 17 2HB LEU 4 1HB LEU 4 -2.595 5.086 2.002 18 HG LEU 4 HG LEU 4 -4.534 5.191 -0.311 19 1HD1 LEU 4 1HD1 LEU 4 -5.787 3.394 0.715 20 2HD1 LEU 4 2HD1 LEU 4 -4.659 3.316 2.068 21 3HD1 LEU 4 3HD1 LEU 4 -4.140 2.819 0.458 22 1HD2 LEU 4 1HD2 LEU 4 -5.137 5.457 2.624 23 2HD2 LEU 4 2HD2 LEU 4 -6.017 6.122 1.247 24 3HD2 LEU 4 3HD2 LEU 4 -4.474 6.827 1.733 25 HA PRO 5 HA PRO 5 1.794 7.337 0.620 26 1HB PRO 5 2HB PRO 5 2.542 6.623 3.160 27 2HB PRO 5 1HB PRO 5 1.806 8.196 2.779 28 1HG PRO 5 2HG PRO 5 0.486 5.698 3.761 29 2HG PRO 5 1HG PRO 5 0.332 7.349 4.388 30 1HD PRO 5 2HD PRO 5 -1.532 6.358 2.808 31 2HD PRO 5 1HD PRO 5 -0.976 8.034 2.572 32 H HIS 6 H HIS 6 3.815 5.865 1.219 33 HA HIS 6 HA HIS 6 3.203 3.186 0.309 34 1HB HIS 6 2HB HIS 6 4.942 4.298 -0.866 35 2HB HIS 6 1HB HIS 6 5.674 4.870 0.631 36 HD1 HIS 6 1HD HIS 6 7.928 3.741 0.526 37 HD2 HIS 6 2HD HIS 6 4.794 1.067 -0.108 38 HE1 HIS 6 1HE HIS 6 8.956 1.427 0.496 39 H LEU 7 H LEU 7 2.590 3.987 3.089 40 HA LEU 7 HA LEU 7 3.741 1.701 4.392 41 1HB LEU 7 2HB LEU 7 4.869 4.352 4.604 42 2HB LEU 7 1HB LEU 7 4.395 3.738 6.188 43 HG LEU 7 HG LEU 7 6.035 2.154 4.202 44 1HD1 LEU 7 1HD1 LEU 7 6.834 4.397 5.688 45 2HD1 LEU 7 2HD1 LEU 7 7.886 3.214 4.911 46 3HD1 LEU 7 3HD1 LEU 7 7.420 3.006 6.599 47 1HD2 LEU 7 1HD2 LEU 7 5.571 1.785 7.175 48 2HD2 LEU 7 2HD2 LEU 7 6.420 0.682 6.092 49 3HD2 LEU 7 3HD2 LEU 7 4.681 0.920 5.923 50 H LYS 8 H LYS 8 1.061 3.387 3.909 51 HA LYS 8 HA LYS 8 0.129 3.146 6.750 52 1HB LYS 8 2HB LYS 8 0.147 5.402 5.531 53 2HB LYS 8 1HB LYS 8 -1.150 4.752 4.527 54 1HG LYS 8 2HG LYS 8 -2.676 4.778 6.249 55 2HG LYS 8 1HG LYS 8 -1.448 4.468 7.478 56 1HD LYS 8 2HD LYS 8 -1.731 7.089 5.982 57 2HD LYS 8 1HD LYS 8 -2.398 6.791 7.589 58 1HE LYS 8 2HE LYS 8 -0.043 6.169 8.335 59 2HE LYS 8 1HE LYS 8 0.525 6.805 6.779 60 1HZ LYS 8 1HZ LYS 8 -0.050 8.913 7.312 61 2HZ LYS 8 2HZ LYS 8 0.179 8.353 8.899 62 3HZ LYS 8 3HZ LYS 8 -1.387 8.443 8.243 63 H ARG 9 H ARG 9 -1.964 2.192 7.080 64 HA ARG 9 HA ARG 9 -2.560 -0.183 5.775 65 1HB ARG 9 2HB ARG 9 -3.493 1.009 7.912 66 2HB ARG 9 1HB ARG 9 -4.723 1.641 6.818 67 1HG ARG 9 2HG ARG 9 -4.392 -1.170 6.322 68 2HG ARG 9 1HG ARG 9 -4.654 -0.915 8.048 69 1HD ARG 9 2HD ARG 9 -6.736 0.189 7.680 70 2HD ARG 9 1HD ARG 9 -6.402 0.397 5.948 71 HE ARG 9 HE ARG 9 -6.226 -2.361 6.419 72 1HH1 ARG 9 1HH1 ARG 9 -8.569 0.013 7.234 73 2HH1 ARG 9 2HH1 ARG 9 -9.922 -0.963 6.767 74 1HH2 ARG 9 1HH2 ARG 9 -7.969 -3.585 5.605 75 2HH2 ARG 9 2HH2 ARG 9 -9.582 -3.002 5.843 76 H CYS 10 H CYS 10 -3.779 -0.787 3.979 77 HA CYS 10 HA CYS 10 -5.015 1.422 2.364 78 1HB CYS 10 2HB CYS 10 -4.188 -0.175 0.403 79 2HB CYS 10 1HB CYS 10 -3.101 1.012 1.113 80 H LYS 11 H LYS 11 -7.099 0.978 1.782 81 HA LYS 11 HA LYS 11 -8.329 -1.558 2.586 82 1HB LYS 11 2HB LYS 11 -9.245 1.018 1.292 83 2HB LYS 11 1HB LYS 11 -10.349 -0.327 1.576 84 1HG LYS 11 2HG LYS 11 -9.367 -0.237 4.018 85 2HG LYS 11 1HG LYS 11 -8.941 1.416 3.570 86 1HD LYS 11 2HD LYS 11 -11.644 0.790 2.728 87 2HD LYS 11 1HD LYS 11 -11.450 0.515 4.460 88 1HE LYS 11 2HE LYS 11 -11.050 2.747 4.905 89 2HE LYS 11 1HE LYS 11 -10.273 3.024 3.333 90 1HZ LYS 11 1HZ LYS 11 -13.117 2.982 4.014 91 2HZ LYS 11 2HZ LYS 11 -12.669 2.343 2.504 92 3HZ LYS 11 3HZ LYS 11 -12.287 3.953 2.896 93 H ALA 12 H ALA 12 -6.722 -0.511 -0.222 94 HA ALA 12 HA ALA 12 -7.805 -2.820 -1.739 95 1HB ALA 12 1HB ALA 12 -9.120 -1.537 -3.051 96 2HB ALA 12 2HB ALA 12 -7.746 -0.510 -3.460 97 3HB ALA 12 3HB ALA 12 -8.723 -0.150 -2.038 98 H ASP 13 H ASP 13 -6.422 -3.416 -3.523 99 HA ASP 13 HA ASP 13 -3.650 -3.148 -3.153 100 1HB ASP 13 2HB ASP 13 -5.220 -3.661 -5.697 101 2HB ASP 13 1HB ASP 13 -3.543 -4.135 -5.405 102 H ASN 14 H ASN 14 -5.768 -1.421 -5.458 103 HA ASN 14 HA ASN 14 -3.551 0.385 -6.207 104 1HB ASN 14 2HB ASN 14 -5.520 -0.751 -7.610 105 2HB ASN 14 1HB ASN 14 -6.377 0.713 -7.127 106 1HD2 ASN 14 1HD2 ASN 14 -4.947 -0.305 -9.775 107 2HD2 ASN 14 2HD2 ASN 14 -4.079 1.070 -10.264 108 H ASP 15 H ASP 15 -4.261 0.714 -3.468 109 HA ASP 15 HA ASP 15 -5.850 3.243 -3.490 110 1HB ASP 15 2HB ASP 15 -5.817 0.925 -1.883 111 2HB ASP 15 1HB ASP 15 -5.351 2.281 -0.869 112 H CYS 16 H CYS 16 -2.760 1.819 -2.776 113 HA CYS 16 HA CYS 16 -1.676 4.064 -1.224 114 1HB CYS 16 2HB CYS 16 -0.434 1.721 -2.722 115 2HB CYS 16 1HB CYS 16 0.412 2.744 -1.551 116 H CYS 17 H CYS 17 0.333 5.188 -2.126 117 HA CYS 17 HA CYS 17 -0.260 6.310 -4.773 118 1HB CYS 17 2HB CYS 17 1.929 6.754 -2.714 119 2HB CYS 17 1HB CYS 17 1.716 7.737 -4.167 120 H GLY 18 H GLY 18 1.482 3.643 -3.569 121 1HA GLY 18 2HA GLY 18 3.405 3.682 -5.846 122 2HA GLY 18 1HA GLY 18 3.494 2.604 -4.450 123 H LYS 19 H LYS 19 0.332 2.587 -5.079 124 HA LYS 19 HA LYS 19 -1.117 1.103 -6.195 125 1HB LYS 19 2HB LYS 19 0.764 2.090 -8.025 126 2HB LYS 19 1HB LYS 19 0.776 0.346 -8.289 127 1HG LYS 19 2HG LYS 19 -1.802 0.522 -8.299 128 2HG LYS 19 1HG LYS 19 -1.549 2.257 -8.501 129 1HD LYS 19 2HD LYS 19 0.197 1.117 -10.347 130 2HD LYS 19 1HD LYS 19 -1.244 0.105 -10.454 131 1HE LYS 19 2HE LYS 19 -2.180 1.729 -11.733 132 2HE LYS 19 1HE LYS 19 -2.186 2.772 -10.297 133 1HZ LYS 19 1HZ LYS 19 -0.821 3.471 -12.386 134 2HZ LYS 19 2HZ LYS 19 0.322 2.371 -11.777 135 3HZ LYS 19 3HZ LYS 19 -0.170 3.695 -10.837 136 H LYS 20 H LYS 20 1.200 0.265 -4.337 137 HA LYS 20 HA LYS 20 1.018 -2.661 -4.927 138 1HB LYS 20 2HB LYS 20 3.266 -1.069 -5.235 139 2HB LYS 20 1HB LYS 20 3.480 -1.732 -3.613 140 1HG LYS 20 2HG LYS 20 2.718 -3.978 -4.865 141 2HG LYS 20 1HG LYS 20 3.429 -3.135 -6.242 142 1HD LYS 20 2HD LYS 20 5.232 -2.732 -4.124 143 2HD LYS 20 1HD LYS 20 4.757 -4.428 -4.013 144 1HE LYS 20 2HE LYS 20 5.727 -3.076 -6.558 145 2HE LYS 20 1HE LYS 20 6.713 -4.134 -5.528 146 1HZ LYS 20 1HZ LYS 20 5.833 -5.707 -6.888 147 2HZ LYS 20 2HZ LYS 20 4.438 -4.803 -7.235 148 3HZ LYS 20 3HZ LYS 20 4.568 -5.637 -5.760 149 H CYS 21 H CYS 21 -0.813 -2.101 -3.263 150 HA CYS 21 HA CYS 21 0.017 -1.510 -0.539 151 1HB CYS 21 2HB CYS 21 -2.173 -0.869 -1.156 152 2HB CYS 21 1HB CYS 21 -2.471 -2.378 -2.004 153 H LYS 22 H LYS 22 0.595 -3.058 1.009 154 HA LYS 22 HA LYS 22 0.988 -5.825 0.153 155 1HB LYS 22 2HB LYS 22 1.986 -4.014 2.089 156 2HB LYS 22 1HB LYS 22 1.292 -5.365 2.986 157 1HG LYS 22 2HG LYS 22 2.908 -6.086 0.605 158 2HG LYS 22 1HG LYS 22 3.803 -5.410 1.966 159 1HD LYS 22 2HD LYS 22 3.320 -7.186 3.348 160 2HD LYS 22 1HD LYS 22 1.763 -7.496 2.579 161 1HE LYS 22 2HE LYS 22 3.289 -9.319 2.004 162 2HE LYS 22 1HE LYS 22 3.026 -8.337 0.550 163 1HZ LYS 22 1HZ LYS 22 5.449 -8.885 1.499 164 2HZ LYS 22 2HZ LYS 22 5.135 -7.443 2.341 165 3HZ LYS 22 3HZ LYS 22 5.092 -7.466 0.642 166 H ARG 23 H ARG 23 0.136 -7.627 1.531 167 HA ARG 23 HA ARG 23 -2.377 -7.174 3.008 168 1HB ARG 23 2HB ARG 23 -3.782 -8.191 1.457 169 2HB ARG 23 1HB ARG 23 -2.719 -7.240 0.430 170 1HG ARG 23 2HG ARG 23 -2.535 -10.211 1.011 171 2HG ARG 23 1HG ARG 23 -2.877 -9.450 -0.542 172 1HD ARG 23 2HD ARG 23 -0.259 -9.269 0.994 173 2HD ARG 23 1HD ARG 23 -0.533 -10.148 -0.514 174 HE ARG 23 HE ARG 23 -1.399 -7.417 -0.794 175 1HH1 ARG 23 1HH1 ARG 23 1.343 -9.518 -0.747 176 2HH1 ARG 23 2HH1 ARG 23 2.349 -8.435 -1.650 177 1HH2 ARG 23 1HH2 ARG 23 -0.077 -5.970 -1.912 178 2HH2 ARG 23 2HH2 ARG 23 1.547 -6.427 -2.310 179 H ARG 24 H ARG 24 -3.345 -9.597 3.330 180 HA ARG 24 HA ARG 24 -1.066 -11.165 4.442 181 1HB ARG 24 2HB ARG 24 -2.703 -12.081 5.912 182 2HB ARG 24 1HB ARG 24 -3.163 -10.388 5.736 183 1HG ARG 24 2HG ARG 24 -5.193 -11.076 5.050 184 2HG ARG 24 1HG ARG 24 -4.427 -11.745 3.609 185 1HD ARG 24 2HD ARG 24 -5.173 -13.765 4.363 186 2HD ARG 24 1HD ARG 24 -3.874 -13.650 5.568 187 HE ARG 24 HE ARG 24 -6.221 -12.134 6.360 188 1HH1 ARG 24 1HH1 ARG 24 -7.194 -14.942 5.720 189 2HH1 ARG 24 2HH1 ARG 24 -7.040 -15.715 7.263 190 1HH2 ARG 24 1HH2 ARG 24 -4.977 -13.259 8.581 191 2HH2 ARG 24 2HH2 ARG 24 -5.785 -14.761 8.882 192 H GLY 25 H GLY 25 -1.061 -11.422 1.723 193 1HA GLY 25 2HA GLY 25 -1.131 -14.145 1.186 194 2HA GLY 25 1HA GLY 25 -2.758 -13.596 0.790 195 H THR 26 H THR 26 -3.076 -12.573 -1.168 196 HA THR 26 HA THR 26 -0.675 -11.818 -2.775 197 HB THR 26 HB THR 26 -2.249 -12.716 -4.662 198 HG1 THR 26 1HG THR 26 -4.012 -13.058 -3.257 199 1HG2 THR 26 1HG2 THR 26 -1.427 -15.155 -3.630 200 2HG2 THR 26 2HG2 THR 26 -0.320 -13.995 -2.894 201 3HG2 THR 26 3HG2 THR 26 -0.461 -14.088 -4.649 202 H ASN 27 H ASN 27 -1.158 -9.625 -2.151 203 HA ASN 27 HA ASN 27 -2.125 -7.496 -2.457 204 1HB ASN 27 2HB ASN 27 -3.556 -8.796 -4.765 205 2HB ASN 27 1HB ASN 27 -3.026 -7.121 -4.614 206 1HD2 ASN 27 1HD2 ASN 27 -1.012 -6.631 -5.519 207 2HD2 ASN 27 2HD2 ASN 27 0.155 -7.781 -5.963 208 H ALA 28 H ALA 28 -3.696 -6.835 -1.070 209 HA ALA 28 HA ALA 28 -6.463 -7.663 -1.513 210 1HB ALA 28 1HB ALA 28 -6.573 -9.229 0.113 211 2HB ALA 28 2HB ALA 28 -5.799 -8.147 1.271 212 3HB ALA 28 3HB ALA 28 -4.813 -9.146 0.203 213 H GLU 29 H GLU 29 -4.542 -6.396 1.199 214 HA GLU 29 HA GLU 29 -4.959 -3.674 1.019 215 1HB GLU 29 2HB GLU 29 -7.091 -3.435 2.438 216 2HB GLU 29 1HB GLU 29 -7.294 -3.886 0.751 217 1HG GLU 29 2HG GLU 29 -7.037 -6.348 1.939 218 2HG GLU 29 1HG GLU 29 -7.854 -5.434 3.203 219 H LYS 30 H LYS 30 -2.965 -4.875 2.412 220 HA LYS 30 HA LYS 30 -3.735 -4.843 5.289 221 1HB LYS 30 2HB LYS 30 -1.487 -5.910 3.698 222 2HB LYS 30 1HB LYS 30 -1.098 -5.302 5.297 223 1HG LYS 30 2HG LYS 30 -1.795 -7.803 5.074 224 2HG LYS 30 1HG LYS 30 -2.466 -6.845 6.392 225 1HD LYS 30 2HD LYS 30 -4.060 -6.656 3.943 226 2HD LYS 30 1HD LYS 30 -3.933 -8.306 4.544 227 1HE LYS 30 2HE LYS 30 -4.471 -7.197 6.879 228 2HE LYS 30 1HE LYS 30 -5.156 -5.903 5.874 229 1HZ LYS 30 1HZ LYS 30 -5.783 -8.802 5.663 230 2HZ LYS 30 2HZ LYS 30 -6.390 -7.592 4.634 231 3HZ LYS 30 3HZ LYS 30 -6.816 -7.605 6.278 232 H ARG 31 H ARG 31 -0.826 -3.717 3.626 233 HA ARG 31 HA ARG 31 -1.284 -0.925 4.532 234 1HB ARG 31 2HB ARG 31 0.399 -2.919 5.848 235 2HB ARG 31 1HB ARG 31 1.322 -1.493 5.372 236 1HG ARG 31 2HG ARG 31 -0.769 -0.216 6.401 237 2HG ARG 31 1HG ARG 31 -0.953 -1.720 7.303 238 1HD ARG 31 2HD ARG 31 1.331 -1.539 8.163 239 2HD ARG 31 1HD ARG 31 1.607 -0.086 7.182 240 HE ARG 31 HE ARG 31 0.283 1.146 8.713 241 1HH1 ARG 31 1HH1 ARG 31 1.160 -0.908 10.762 242 2HH1 ARG 31 2HH1 ARG 31 -0.355 -1.360 11.466 243 1HH2 ARG 31 1HH2 ARG 31 -2.251 -0.007 8.894 244 2HH2 ARG 31 2HH2 ARG 31 -2.290 -0.850 10.407 245 H CYS 32 H CYS 32 -0.176 0.541 3.218 246 HA CYS 32 HA CYS 32 0.737 -0.195 0.644 247 1HB CYS 32 2HB CYS 32 1.439 2.175 2.410 248 2HB CYS 32 1HB CYS 32 1.702 2.114 0.663 249 H ARG 33 H ARG 33 2.497 -1.496 0.201 250 HA ARG 33 HA ARG 33 5.075 -0.882 1.569 251 1HB ARG 33 2HB ARG 33 3.673 -3.570 1.428 252 2HB ARG 33 1HB ARG 33 5.354 -3.371 1.921 253 1HG ARG 33 2HG ARG 33 4.501 -1.712 3.669 254 2HG ARG 33 1HG ARG 33 2.883 -2.308 3.297 255 1HD ARG 33 2HD ARG 33 4.148 -4.677 3.637 256 2HD ARG 33 1HD ARG 33 5.103 -3.665 4.738 257 HE ARG 33 HE ARG 33 2.114 -3.653 4.861 258 1HH1 ARG 33 1HH2 ARG 33 4.457 -2.224 6.516 259 2HH1 ARG 33 2HH2 ARG 33 4.230 -3.037 8.028 260 1HH2 ARG 33 1HH1 ARG 33 2.150 -5.475 6.703 261 2HH2 ARG 33 2HH1 ARG 33 2.924 -4.879 8.134 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -5.139 10.105 -9.611 2 2H GLY 1 2HT GLY 1 -6.680 9.449 -9.326 3 3H GLY 1 3HT GLY 1 -5.392 9.085 -8.279 4 1HA GLY 1 2HA GLY 1 -5.925 11.909 -8.572 5 2HA GLY 1 1HA GLY 1 -7.224 10.987 -7.815 6 H ASP 2 H ASP 2 -6.985 11.367 -5.645 7 HA ASP 2 HA ASP 2 -4.354 11.629 -4.395 8 1HB ASP 2 2HB ASP 2 -7.050 12.293 -3.867 9 2HB ASP 2 1HB ASP 2 -6.572 11.179 -2.584 10 H CYS 3 H CYS 3 -3.145 9.908 -3.735 11 HA CYS 3 HA CYS 3 -4.532 7.289 -3.250 12 1HB CYS 3 2HB CYS 3 -2.243 6.370 -3.868 13 2HB CYS 3 1HB CYS 3 -3.097 7.193 -5.175 14 H LEU 4 H LEU 4 -3.297 5.884 -1.618 15 HA LEU 4 HA LEU 4 -2.706 7.515 0.762 16 1HB LEU 4 2HB LEU 4 -2.609 4.505 0.409 17 2HB LEU 4 1HB LEU 4 -2.848 5.395 1.908 18 HG LEU 4 HG LEU 4 -4.764 5.599 -0.423 19 1HD1 LEU 4 1HD1 LEU 4 -5.193 3.907 2.040 20 2HD1 LEU 4 2HD1 LEU 4 -4.465 3.237 0.581 21 3HD1 LEU 4 3HD1 LEU 4 -6.101 3.891 0.529 22 1HD2 LEU 4 1HD2 LEU 4 -4.503 6.808 2.218 23 2HD2 LEU 4 2HD2 LEU 4 -6.054 5.993 2.026 24 3HD2 LEU 4 3HD2 LEU 4 -5.574 7.253 0.889 25 HA PRO 5 HA PRO 5 1.669 7.417 0.613 26 1HB PRO 5 2HB PRO 5 2.319 6.726 3.184 27 2HB PRO 5 1HB PRO 5 1.671 8.322 2.748 28 1HG PRO 5 2HG PRO 5 0.213 5.923 3.780 29 2HG PRO 5 1HG PRO 5 0.117 7.603 4.332 30 1HD PRO 5 2HD PRO 5 -1.744 6.612 2.738 31 2HD PRO 5 1HD PRO 5 -1.136 8.266 2.480 32 H HIS 6 H HIS 6 3.597 5.926 1.047 33 HA HIS 6 HA HIS 6 2.884 3.208 0.360 34 1HB HIS 6 2HB HIS 6 4.513 4.226 -1.023 35 2HB HIS 6 1HB HIS 6 5.364 4.905 0.362 36 HD1 HIS 6 1HD HIS 6 7.619 3.788 0.057 37 HD2 HIS 6 2HD HIS 6 4.473 1.055 0.022 38 HE1 HIS 6 1HE HIS 6 8.671 1.485 0.142 39 H LEU 7 H LEU 7 2.362 3.965 3.095 40 HA LEU 7 HA LEU 7 3.766 1.845 4.419 41 1HB LEU 7 2HB LEU 7 4.666 4.583 4.531 42 2HB LEU 7 1HB LEU 7 4.265 3.992 6.145 43 HG LEU 7 HG LEU 7 6.117 2.651 4.158 44 1HD1 LEU 7 1HD1 LEU 7 7.323 3.166 6.671 45 2HD1 LEU 7 2HD1 LEU 7 6.502 4.650 6.188 46 3HD1 LEU 7 3HD1 LEU 7 7.701 3.916 5.121 47 1HD2 LEU 7 1HD2 LEU 7 5.068 0.887 5.332 48 2HD2 LEU 7 2HD2 LEU 7 4.992 1.814 6.830 49 3HD2 LEU 7 3HD2 LEU 7 6.538 1.187 6.259 50 H LYS 8 H LYS 8 0.935 3.111 3.920 51 HA LYS 8 HA LYS 8 0.033 2.856 6.776 52 1HB LYS 8 2HB LYS 8 -0.850 4.647 4.506 53 2HB LYS 8 1HB LYS 8 -1.843 4.399 5.939 54 1HG LYS 8 2HG LYS 8 0.717 4.929 6.941 55 2HG LYS 8 1HG LYS 8 0.504 6.076 5.619 56 1HD LYS 8 2HD LYS 8 -1.417 5.640 7.923 57 2HD LYS 8 1HD LYS 8 -0.362 7.037 7.700 58 1HE LYS 8 2HE LYS 8 -1.952 6.554 5.311 59 2HE LYS 8 1HE LYS 8 -2.982 6.790 6.738 60 1HZ LYS 8 1HZ LYS 8 -2.516 8.954 6.175 61 2HZ LYS 8 2HZ LYS 8 -0.963 8.593 5.587 62 3HZ LYS 8 3HZ LYS 8 -1.251 8.642 7.260 63 H ARG 9 H ARG 9 -2.137 1.889 7.011 64 HA ARG 9 HA ARG 9 -2.571 -0.393 5.340 65 1HB ARG 9 2HB ARG 9 -3.323 -0.342 7.634 66 2HB ARG 9 1HB ARG 9 -4.264 1.120 7.351 67 1HG ARG 9 2HG ARG 9 -5.991 -0.357 7.121 68 2HG ARG 9 1HG ARG 9 -5.362 -0.524 5.484 69 1HD ARG 9 2HD ARG 9 -3.806 -2.356 6.558 70 2HD ARG 9 1HD ARG 9 -5.048 -2.386 7.823 71 HE ARG 9 HE ARG 9 -5.382 -3.486 5.208 72 1HH1 ARG 9 1HH2 ARG 9 -7.105 -1.013 5.008 73 2HH1 ARG 9 2HH2 ARG 9 -8.630 -1.604 5.578 74 1HH2 ARG 9 1HH1 ARG 9 -7.290 -4.454 7.024 75 2HH2 ARG 9 2HH1 ARG 9 -8.736 -3.548 6.720 76 H CYS 10 H CYS 10 -4.046 -0.688 3.610 77 HA CYS 10 HA CYS 10 -5.398 1.811 2.639 78 1HB CYS 10 2HB CYS 10 -4.597 1.323 0.459 79 2HB CYS 10 1HB CYS 10 -3.230 0.985 1.517 80 H LYS 11 H LYS 11 -7.342 1.449 1.366 81 HA LYS 11 HA LYS 11 -8.893 -0.893 2.262 82 1HB LYS 11 2HB LYS 11 -9.523 1.670 1.953 83 2HB LYS 11 1HB LYS 11 -9.836 1.167 0.290 84 1HG LYS 11 2HG LYS 11 -11.619 -0.169 0.880 85 2HG LYS 11 1HG LYS 11 -10.951 -0.537 2.470 86 1HD LYS 11 2HD LYS 11 -11.724 2.294 1.926 87 2HD LYS 11 1HD LYS 11 -13.024 1.127 2.175 88 1HE LYS 11 2HE LYS 11 -11.849 0.398 4.301 89 2HE LYS 11 1HE LYS 11 -10.757 1.779 4.086 90 1HZ LYS 11 1HZ LYS 11 -13.504 1.750 4.919 91 2HZ LYS 11 2HZ LYS 11 -13.230 2.825 3.630 92 3HZ LYS 11 3HZ LYS 11 -12.344 2.977 5.072 93 H ALA 12 H ALA 12 -7.105 0.140 -0.532 94 HA ALA 12 HA ALA 12 -7.894 -2.365 -1.944 95 1HB ALA 12 1HB ALA 12 -8.422 -1.130 -3.950 96 2HB ALA 12 2HB ALA 12 -7.840 0.376 -3.238 97 3HB ALA 12 3HB ALA 12 -9.314 -0.376 -2.628 98 H ASP 13 H ASP 13 -6.181 -3.248 -3.101 99 HA ASP 13 HA ASP 13 -3.518 -2.757 -2.553 100 1HB ASP 13 2HB ASP 13 -4.640 -3.581 -5.246 101 2HB ASP 13 1HB ASP 13 -3.082 -4.048 -4.560 102 H ASN 14 H ASN 14 -5.550 -1.041 -4.884 103 HA ASN 14 HA ASN 14 -3.250 0.463 -5.973 104 1HB ASN 14 2HB ASN 14 -6.195 0.196 -6.508 105 2HB ASN 14 1HB ASN 14 -5.295 1.533 -7.220 106 1HD2 ASN 14 1HD2 ASN 14 -6.091 0.066 -9.219 107 2HD2 ASN 14 2HD2 ASN 14 -4.953 -1.074 -9.754 108 H ASP 15 H ASP 15 -5.659 0.876 -3.497 109 HA ASP 15 HA ASP 15 -6.071 3.634 -3.408 110 1HB ASP 15 2HB ASP 15 -6.368 1.380 -1.785 111 2HB ASP 15 1HB ASP 15 -5.598 2.601 -0.781 112 H CYS 16 H CYS 16 -3.137 1.872 -2.685 113 HA CYS 16 HA CYS 16 -1.817 4.032 -1.194 114 1HB CYS 16 2HB CYS 16 -0.827 1.526 -2.611 115 2HB CYS 16 1HB CYS 16 0.118 2.494 -1.471 116 H CYS 17 H CYS 17 0.134 5.119 -2.060 117 HA CYS 17 HA CYS 17 -0.261 6.104 -4.787 118 1HB CYS 17 2HB CYS 17 1.787 6.572 -2.600 119 2HB CYS 17 1HB CYS 17 1.812 7.425 -4.147 120 H GLY 18 H GLY 18 1.190 3.338 -3.526 121 1HA GLY 18 2HA GLY 18 3.254 3.308 -5.691 122 2HA GLY 18 1HA GLY 18 3.305 2.296 -4.245 123 H LYS 19 H LYS 19 0.159 2.263 -4.980 124 HA LYS 19 HA LYS 19 -1.253 0.692 -6.023 125 1HB LYS 19 2HB LYS 19 1.077 0.466 -7.955 126 2HB LYS 19 1HB LYS 19 -0.621 0.129 -8.298 127 1HG LYS 19 2HG LYS 19 -1.204 2.467 -7.971 128 2HG LYS 19 1HG LYS 19 0.445 2.842 -7.469 129 1HD LYS 19 2HD LYS 19 1.297 2.631 -9.622 130 2HD LYS 19 1HD LYS 19 0.001 1.551 -10.139 131 1HE LYS 19 2HE LYS 19 -1.135 3.319 -10.978 132 2HE LYS 19 1HE LYS 19 -1.159 4.071 -9.369 133 1HZ LYS 19 1HZ LYS 19 1.154 4.784 -9.763 134 2HZ LYS 19 2HZ LYS 19 0.063 5.482 -10.862 135 3HZ LYS 19 3HZ LYS 19 1.055 4.193 -11.349 136 H LYS 20 H LYS 20 1.277 -0.064 -4.260 137 HA LYS 20 HA LYS 20 1.026 -3.003 -4.776 138 1HB LYS 20 2HB LYS 20 3.457 -3.071 -4.027 139 2HB LYS 20 1HB LYS 20 3.186 -2.255 -5.567 140 1HG LYS 20 2HG LYS 20 3.267 -0.079 -4.489 141 2HG LYS 20 1HG LYS 20 3.369 -0.832 -2.898 142 1HD LYS 20 2HD LYS 20 5.611 -0.269 -3.423 143 2HD LYS 20 1HD LYS 20 5.497 -1.990 -3.784 144 1HE LYS 20 2HE LYS 20 6.370 -1.393 -5.814 145 2HE LYS 20 1HE LYS 20 4.720 -0.849 -6.178 146 1HZ LYS 20 1HZ LYS 20 6.002 1.053 -6.500 147 2HZ LYS 20 2HZ LYS 20 7.001 0.734 -5.163 148 3HZ LYS 20 3HZ LYS 20 5.402 1.256 -4.927 149 H CYS 21 H CYS 21 -0.735 -2.424 -3.058 150 HA CYS 21 HA CYS 21 0.218 -1.903 -0.352 151 1HB CYS 21 2HB CYS 21 -2.053 -1.442 -1.594 152 2HB CYS 21 1HB CYS 21 -2.448 -3.081 -1.076 153 H LYS 22 H LYS 22 1.340 -3.601 0.697 154 HA LYS 22 HA LYS 22 1.021 -6.375 -0.167 155 1HB LYS 22 2HB LYS 22 3.114 -5.174 0.668 156 2HB LYS 22 1HB LYS 22 2.428 -5.310 2.289 157 1HG LYS 22 2HG LYS 22 3.088 -7.458 2.432 158 2HG LYS 22 1HG LYS 22 2.232 -7.851 0.942 159 1HD LYS 22 2HD LYS 22 4.131 -7.818 -0.284 160 2HD LYS 22 1HD LYS 22 4.691 -6.328 0.477 161 1HE LYS 22 2HE LYS 22 5.897 -7.450 2.089 162 2HE LYS 22 1HE LYS 22 4.740 -8.795 2.161 163 1HZ LYS 22 1HZ LYS 22 6.827 -8.266 0.138 164 2HZ LYS 22 2HZ LYS 22 5.475 -9.224 -0.240 165 3HZ LYS 22 3HZ LYS 22 6.531 -9.693 1.006 166 H ARG 23 H ARG 23 -0.006 -8.038 0.950 167 HA ARG 23 HA ARG 23 -1.610 -7.327 3.374 168 1HB ARG 23 2HB ARG 23 -3.002 -9.345 2.141 169 2HB ARG 23 1HB ARG 23 -3.359 -7.639 1.946 170 1HG ARG 23 2HG ARG 23 -3.195 -8.633 -0.258 171 2HG ARG 23 1HG ARG 23 -1.777 -7.613 -0.022 172 1HD ARG 23 2HD ARG 23 -0.687 -9.520 -0.743 173 2HD ARG 23 1HD ARG 23 -0.834 -9.964 0.970 174 HE ARG 23 HE ARG 23 -3.257 -10.652 -0.407 175 1HH1 ARG 23 1HH1 ARG 23 -0.839 -12.051 1.284 176 2HH1 ARG 23 2HH1 ARG 23 -0.717 -13.498 0.338 177 1HH2 ARG 23 1HH2 ARG 23 -2.725 -12.305 -2.226 178 2HH2 ARG 23 2HH2 ARG 23 -1.783 -13.641 -1.652 179 H ARG 24 H ARG 24 -2.503 -9.593 4.259 180 HA ARG 24 HA ARG 24 -0.656 -11.851 3.993 181 1HB ARG 24 2HB ARG 24 -0.437 -9.825 6.140 182 2HB ARG 24 1HB ARG 24 -0.433 -11.493 6.703 183 1HG ARG 24 2HG ARG 24 1.235 -11.341 4.386 184 2HG ARG 24 1HG ARG 24 1.705 -10.044 5.486 185 1HD ARG 24 2HD ARG 24 1.379 -12.952 6.309 186 2HD ARG 24 1HD ARG 24 2.933 -12.162 5.979 187 HE ARG 24 HE ARG 24 1.312 -10.647 7.858 188 1HH1 ARG 24 1HH1 ARG 24 2.879 -13.675 7.744 189 2HH1 ARG 24 2HH1 ARG 24 3.722 -13.466 9.242 190 1HH2 ARG 24 1HH2 ARG 24 2.663 -10.192 9.683 191 2HH2 ARG 24 2HH2 ARG 24 3.600 -11.492 10.340 192 H GLY 25 H GLY 25 -3.351 -11.772 3.493 193 1HA GLY 25 2HA GLY 25 -4.466 -13.903 4.884 194 2HA GLY 25 1HA GLY 25 -4.951 -12.484 5.814 195 H THR 26 H THR 26 -6.352 -14.464 3.863 196 HA THR 26 HA THR 26 -7.924 -14.349 2.088 197 HB THR 26 HB THR 26 -9.024 -13.521 4.166 198 HG1 THR 26 1HG THR 26 -10.745 -12.966 3.059 199 1HG2 THR 26 1HG2 THR 26 -7.801 -11.569 4.725 200 2HG2 THR 26 2HG2 THR 26 -9.382 -10.975 4.220 201 3HG2 THR 26 3HG2 THR 26 -8.012 -10.878 3.116 202 H ASN 27 H ASN 27 -5.595 -13.408 1.021 203 HA ASN 27 HA ASN 27 -4.676 -11.865 -0.558 204 1HB ASN 27 2HB ASN 27 -7.421 -11.478 -1.612 205 2HB ASN 27 1HB ASN 27 -5.963 -12.001 -2.448 206 1HD2 ASN 27 1HD2 ASN 27 -8.942 -13.130 -1.705 207 2HD2 ASN 27 2HD2 ASN 27 -8.608 -14.782 -1.496 208 H ALA 28 H ALA 28 -6.214 -9.865 -1.914 209 HA ALA 28 HA ALA 28 -7.023 -7.647 -1.700 210 1HB ALA 28 1HB ALA 28 -8.194 -8.790 0.323 211 2HB ALA 28 2HB ALA 28 -8.033 -7.035 0.352 212 3HB ALA 28 3HB ALA 28 -6.934 -8.038 1.296 213 H GLU 29 H GLU 29 -5.914 -6.545 1.164 214 HA GLU 29 HA GLU 29 -3.056 -6.330 0.570 215 1HB GLU 29 2HB GLU 29 -3.397 -3.752 0.363 216 2HB GLU 29 1HB GLU 29 -3.730 -4.755 -1.046 217 1HG GLU 29 2HG GLU 29 -5.547 -3.134 -0.705 218 2HG GLU 29 1HG GLU 29 -6.136 -4.775 -0.443 219 H LYS 30 H LYS 30 -1.933 -5.140 2.314 220 HA LYS 30 HA LYS 30 -3.672 -4.719 4.691 221 1HB LYS 30 2HB LYS 30 -0.988 -5.993 4.397 222 2HB LYS 30 1HB LYS 30 -1.431 -5.221 5.914 223 1HG LYS 30 2HG LYS 30 -3.442 -6.599 6.073 224 2HG LYS 30 1HG LYS 30 -3.069 -7.355 4.525 225 1HD LYS 30 2HD LYS 30 -2.314 -8.836 6.286 226 2HD LYS 30 1HD LYS 30 -0.893 -8.136 5.509 227 1HE LYS 30 2HE LYS 30 -1.869 -6.468 7.707 228 2HE LYS 30 1HE LYS 30 -1.399 -8.095 8.242 229 1HZ LYS 30 1HZ LYS 30 0.461 -6.406 8.041 230 2HZ LYS 30 2HZ LYS 30 0.250 -6.512 6.359 231 3HZ LYS 30 3HZ LYS 30 0.700 -7.886 7.250 232 H ARG 31 H ARG 31 -0.323 -3.889 3.801 233 HA ARG 31 HA ARG 31 -0.992 -1.020 4.374 234 1HB ARG 31 2HB ARG 31 0.678 -2.815 5.791 235 2HB ARG 31 1HB ARG 31 1.755 -1.702 4.946 236 1HG ARG 31 2HG ARG 31 0.820 0.191 5.994 237 2HG ARG 31 1HG ARG 31 -0.637 -0.681 6.471 238 1HD ARG 31 2HD ARG 31 1.945 -1.738 7.527 239 2HD ARG 31 1HD ARG 31 1.356 -0.213 8.218 240 HE ARG 31 HE ARG 31 -0.917 -1.630 8.296 241 1HH1 ARG 31 1HH1 ARG 31 2.172 -2.011 9.652 242 2HH1 ARG 31 2HH1 ARG 31 1.790 -3.472 10.502 243 1HH2 ARG 31 1HH2 ARG 31 -1.366 -3.776 9.101 244 2HH2 ARG 31 2HH2 ARG 31 -0.212 -4.471 10.189 245 H CYS 32 H CYS 32 -0.014 0.483 3.002 246 HA CYS 32 HA CYS 32 0.706 -0.262 0.355 247 1HB CYS 32 2HB CYS 32 1.509 2.213 1.919 248 2HB CYS 32 1HB CYS 32 1.330 2.086 0.166 249 H ARG 33 H ARG 33 2.389 -1.891 0.410 250 HA ARG 33 HA ARG 33 5.100 -0.790 0.642 251 1HB ARG 33 2HB ARG 33 5.794 -2.255 2.456 252 2HB ARG 33 1HB ARG 33 4.389 -1.332 2.987 253 1HG ARG 33 2HG ARG 33 2.923 -3.234 2.477 254 2HG ARG 33 1HG ARG 33 4.305 -4.159 1.890 255 1HD ARG 33 2HD ARG 33 4.875 -4.768 3.999 256 2HD ARG 33 1HD ARG 33 4.797 -3.086 4.563 257 HE ARG 33 HE ARG 33 2.223 -3.474 4.516 258 1HH1 ARG 33 1HH1 ARG 33 3.500 -6.415 3.898 259 2HH1 ARG 33 2HH1 ARG 33 2.927 -7.210 5.326 260 1HH2 ARG 33 1HH2 ARG 33 1.956 -4.269 6.889 261 2HH2 ARG 33 2HH2 ARG 33 2.061 -5.992 7.024 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -3.585 12.976 -9.368 2 2H GLY 1 2HT GLY 1 -3.746 13.620 -7.806 3 3H GLY 1 3HT GLY 1 -4.990 12.671 -8.467 4 1HA GLY 1 2HA GLY 1 -3.030 10.922 -8.646 5 2HA GLY 1 1HA GLY 1 -2.460 11.862 -7.266 6 H ASP 2 H ASP 2 -4.026 12.149 -5.453 7 HA ASP 2 HA ASP 2 -5.613 11.288 -3.922 8 1HB ASP 2 2HB ASP 2 -6.674 11.116 -6.545 9 2HB ASP 2 1HB ASP 2 -7.058 9.587 -5.755 10 H CYS 3 H CYS 3 -3.321 10.001 -3.641 11 HA CYS 3 HA CYS 3 -4.073 7.103 -3.554 12 1HB CYS 3 2HB CYS 3 -1.764 6.593 -4.271 13 2HB CYS 3 1HB CYS 3 -2.589 7.583 -5.476 14 H LEU 4 H LEU 4 -2.918 5.921 -1.851 15 HA LEU 4 HA LEU 4 -2.315 7.643 0.486 16 1HB LEU 4 2HB LEU 4 -2.599 4.639 0.159 17 2HB LEU 4 1HB LEU 4 -2.564 5.512 1.691 18 HG LEU 4 HG LEU 4 -4.540 6.679 -0.061 19 1HD1 LEU 4 1HD1 LEU 4 -5.729 4.161 0.609 20 2HD1 LEU 4 2HD1 LEU 4 -4.267 3.856 -0.329 21 3HD1 LEU 4 3HD1 LEU 4 -5.537 4.889 -0.987 22 1HD2 LEU 4 1HD2 LEU 4 -4.654 7.007 2.304 23 2HD2 LEU 4 2HD2 LEU 4 -4.538 5.276 2.620 24 3HD2 LEU 4 3HD2 LEU 4 -6.008 5.947 1.913 25 HA PRO 5 HA PRO 5 2.046 7.047 0.473 26 1HB PRO 5 2HB PRO 5 2.517 6.572 3.130 27 2HB PRO 5 1HB PRO 5 2.068 8.176 2.507 28 1HG PRO 5 2HG PRO 5 0.317 6.071 3.722 29 2HG PRO 5 1HG PRO 5 0.385 7.806 4.079 30 1HD PRO 5 2HD PRO 5 -1.512 6.811 2.518 31 2HD PRO 5 1HD PRO 5 -0.751 8.376 2.139 32 H HIS 6 H HIS 6 3.715 5.324 0.808 33 HA HIS 6 HA HIS 6 2.578 2.679 0.652 34 1HB HIS 6 2HB HIS 6 4.577 2.119 -0.390 35 2HB HIS 6 1HB HIS 6 4.507 3.848 -0.714 36 HD1 HIS 6 1HD HIS 6 6.203 5.362 0.507 37 HD2 HIS 6 2HD HIS 6 6.478 1.360 1.620 38 HE1 HIS 6 1HE HIS 6 8.345 5.127 1.828 39 H LEU 7 H LEU 7 2.403 3.964 3.217 40 HA LEU 7 HA LEU 7 3.586 1.891 4.848 41 1HB LEU 7 2HB LEU 7 4.903 4.323 4.416 42 2HB LEU 7 1HB LEU 7 4.168 4.489 6.011 43 HG LEU 7 HG LEU 7 6.438 3.513 6.153 44 1HD1 LEU 7 1HD1 LEU 7 4.401 1.368 6.773 45 2HD1 LEU 7 2HD1 LEU 7 4.500 2.862 7.706 46 3HD1 LEU 7 3HD1 LEU 7 5.875 1.758 7.659 47 1HD2 LEU 7 1HD2 LEU 7 5.294 1.118 4.702 48 2HD2 LEU 7 2HD2 LEU 7 6.974 1.410 5.153 49 3HD2 LEU 7 3HD2 LEU 7 6.224 2.370 3.877 50 H LYS 8 H LYS 8 0.910 2.291 4.348 51 HA LYS 8 HA LYS 8 -0.123 2.939 7.033 52 1HB LYS 8 2HB LYS 8 0.064 5.099 5.776 53 2HB LYS 8 1HB LYS 8 -1.009 4.436 4.544 54 1HG LYS 8 2HG LYS 8 -2.860 4.421 5.977 55 2HG LYS 8 1HG LYS 8 -1.858 4.436 7.429 56 1HD LYS 8 2HD LYS 8 -1.628 6.761 5.572 57 2HD LYS 8 1HD LYS 8 -3.088 6.646 6.556 58 1HE LYS 8 2HE LYS 8 -0.868 6.045 8.255 59 2HE LYS 8 1HE LYS 8 -0.491 7.539 7.374 60 1HZ LYS 8 1HZ LYS 8 -2.001 7.602 9.498 61 2HZ LYS 8 2HZ LYS 8 -3.214 7.154 8.396 62 3HZ LYS 8 3HZ LYS 8 -2.343 8.594 8.165 63 H ARG 9 H ARG 9 -2.048 1.791 7.414 64 HA ARG 9 HA ARG 9 -2.774 -0.485 6.030 65 1HB ARG 9 2HB ARG 9 -3.825 -0.125 8.094 66 2HB ARG 9 1HB ARG 9 -4.266 1.533 7.689 67 1HG ARG 9 2HG ARG 9 -6.207 0.902 6.676 68 2HG ARG 9 1HG ARG 9 -5.469 -0.518 5.937 69 1HD ARG 9 2HD ARG 9 -5.941 -0.470 8.913 70 2HD ARG 9 1HD ARG 9 -7.265 -0.886 7.806 71 HE ARG 9 HE ARG 9 -5.319 -2.459 6.811 72 1HH1 ARG 9 1HH2 ARG 9 -3.829 -2.077 9.429 73 2HH1 ARG 9 2HH2 ARG 9 -4.355 -3.463 10.326 74 1HH2 ARG 9 1HH1 ARG 9 -7.041 -4.124 8.234 75 2HH2 ARG 9 2HH1 ARG 9 -6.175 -4.622 9.648 76 H CYS 10 H CYS 10 -3.676 -0.899 4.040 77 HA CYS 10 HA CYS 10 -4.838 1.442 2.568 78 1HB CYS 10 2HB CYS 10 -3.838 0.582 0.652 79 2HB CYS 10 1HB CYS 10 -2.707 0.013 1.874 80 H LYS 11 H LYS 11 -6.869 1.188 1.556 81 HA LYS 11 HA LYS 11 -8.563 -0.965 2.659 82 1HB LYS 11 2HB LYS 11 -9.483 1.233 2.683 83 2HB LYS 11 1HB LYS 11 -8.975 1.544 1.022 84 1HG LYS 11 2HG LYS 11 -11.435 1.050 1.262 85 2HG LYS 11 1HG LYS 11 -10.588 -0.038 0.161 86 1HD LYS 11 2HD LYS 11 -11.153 -1.816 1.416 87 2HD LYS 11 1HD LYS 11 -10.425 -1.076 2.842 88 1HE LYS 11 2HE LYS 11 -12.570 -1.026 3.635 89 2HE LYS 11 1HE LYS 11 -12.754 0.381 2.568 90 1HZ LYS 11 1HZ LYS 11 -13.002 -2.347 1.480 91 2HZ LYS 11 2HZ LYS 11 -13.649 -0.894 0.883 92 3HZ LYS 11 3HZ LYS 11 -14.330 -1.629 2.256 93 H ALA 12 H ALA 12 -6.877 -0.216 -0.285 94 HA ALA 12 HA ALA 12 -7.814 -2.749 -1.481 95 1HB ALA 12 1HB ALA 12 -9.365 -1.748 -2.778 96 2HB ALA 12 2HB ALA 12 -8.103 -0.748 -3.495 97 3HB ALA 12 3HB ALA 12 -8.966 -0.186 -2.064 98 H ASP 13 H ASP 13 -6.398 -3.452 -3.170 99 HA ASP 13 HA ASP 13 -3.678 -2.829 -3.001 100 1HB ASP 13 2HB ASP 13 -5.161 -3.726 -5.492 101 2HB ASP 13 1HB ASP 13 -3.506 -4.132 -5.029 102 H ASN 14 H ASN 14 -6.155 -1.402 -5.134 103 HA ASN 14 HA ASN 14 -4.170 0.413 -6.371 104 1HB ASN 14 2HB ASN 14 -5.867 -0.632 -7.758 105 2HB ASN 14 1HB ASN 14 -7.149 -0.048 -6.698 106 1HD2 ASN 14 1HD2 ASN 14 -7.892 0.956 -8.886 107 2HD2 ASN 14 2HD2 ASN 14 -7.270 2.486 -9.277 108 H ASP 15 H ASP 15 -4.196 1.048 -3.707 109 HA ASP 15 HA ASP 15 -5.816 3.561 -3.624 110 1HB ASP 15 2HB ASP 15 -6.019 1.266 -2.055 111 2HB ASP 15 1HB ASP 15 -5.312 2.490 -1.011 112 H CYS 16 H CYS 16 -2.800 1.962 -2.953 113 HA CYS 16 HA CYS 16 -1.579 4.125 -1.383 114 1HB CYS 16 2HB CYS 16 -0.292 1.877 -2.975 115 2HB CYS 16 1HB CYS 16 0.333 2.663 -1.524 116 H CYS 17 H CYS 17 0.454 5.174 -2.280 117 HA CYS 17 HA CYS 17 -0.055 6.363 -4.911 118 1HB CYS 17 2HB CYS 17 2.082 6.653 -2.780 119 2HB CYS 17 1HB CYS 17 2.043 7.622 -4.256 120 H GLY 18 H GLY 18 1.521 3.577 -3.761 121 1HA GLY 18 2HA GLY 18 3.447 3.586 -6.041 122 2HA GLY 18 1HA GLY 18 3.523 2.498 -4.651 123 H LYS 19 H LYS 19 0.376 2.481 -5.125 124 HA LYS 19 HA LYS 19 -1.140 1.082 -6.295 125 1HB LYS 19 2HB LYS 19 0.796 1.967 -8.138 126 2HB LYS 19 1HB LYS 19 0.695 0.223 -8.385 127 1HG LYS 19 2HG LYS 19 -1.613 0.306 -8.878 128 2HG LYS 19 1HG LYS 19 -1.792 1.915 -8.177 129 1HD LYS 19 2HD LYS 19 -1.772 2.388 -10.467 130 2HD LYS 19 1HD LYS 19 -0.080 2.626 -10.030 131 1HE LYS 19 2HE LYS 19 0.485 1.064 -11.570 132 2HE LYS 19 1HE LYS 19 -0.399 -0.146 -10.618 133 1HZ LYS 19 1HZ LYS 19 -2.436 1.119 -11.694 134 2HZ LYS 19 2HZ LYS 19 -1.672 -0.177 -12.485 135 3HZ LYS 19 3HZ LYS 19 -1.298 1.424 -12.915 136 H LYS 20 H LYS 20 1.309 0.207 -4.524 137 HA LYS 20 HA LYS 20 0.929 -2.719 -5.006 138 1HB LYS 20 2HB LYS 20 3.351 -1.019 -4.950 139 2HB LYS 20 1HB LYS 20 3.472 -2.504 -4.008 140 1HG LYS 20 2HG LYS 20 2.395 -3.578 -6.181 141 2HG LYS 20 1HG LYS 20 3.093 -2.156 -6.958 142 1HD LYS 20 2HD LYS 20 5.226 -2.855 -5.528 143 2HD LYS 20 1HD LYS 20 4.468 -4.446 -5.609 144 1HE LYS 20 2HE LYS 20 4.889 -2.746 -8.083 145 2HE LYS 20 1HE LYS 20 6.097 -3.915 -7.512 146 1HZ LYS 20 1HZ LYS 20 4.842 -5.346 -8.706 147 2HZ LYS 20 2HZ LYS 20 3.446 -4.382 -8.619 148 3HZ LYS 20 3HZ LYS 20 3.885 -5.364 -7.305 149 H CYS 21 H CYS 21 -0.695 -2.430 -3.233 150 HA CYS 21 HA CYS 21 0.256 -1.572 -0.606 151 1HB CYS 21 2HB CYS 21 -2.080 -1.261 -1.247 152 2HB CYS 21 1HB CYS 21 -2.250 -2.980 -1.605 153 H LYS 22 H LYS 22 0.851 -3.008 1.103 154 HA LYS 22 HA LYS 22 1.670 -5.705 0.301 155 1HB LYS 22 2HB LYS 22 2.207 -3.772 2.366 156 2HB LYS 22 1HB LYS 22 1.798 -5.316 3.120 157 1HG LYS 22 2HG LYS 22 3.450 -5.982 0.950 158 2HG LYS 22 1HG LYS 22 4.208 -4.571 1.682 159 1HD LYS 22 2HD LYS 22 4.170 -5.661 3.880 160 2HD LYS 22 1HD LYS 22 3.343 -7.057 3.188 161 1HE LYS 22 2HE LYS 22 5.787 -6.378 1.716 162 2HE LYS 22 1HE LYS 22 6.098 -6.796 3.412 163 1HZ LYS 22 1HZ LYS 22 4.230 -8.372 1.750 164 2HZ LYS 22 2HZ LYS 22 4.989 -8.821 3.202 165 3HZ LYS 22 3HZ LYS 22 5.890 -8.716 1.765 166 H ARG 23 H ARG 23 0.889 -7.620 1.534 167 HA ARG 23 HA ARG 23 -1.801 -7.448 2.803 168 1HB ARG 23 2HB ARG 23 -1.044 -8.771 0.198 169 2HB ARG 23 1HB ARG 23 -2.417 -9.339 1.149 170 1HG ARG 23 2HG ARG 23 -3.644 -7.432 0.769 171 2HG ARG 23 1HG ARG 23 -2.226 -6.416 0.609 172 1HD ARG 23 2HD ARG 23 -2.108 -8.302 -1.510 173 2HD ARG 23 1HD ARG 23 -3.752 -7.631 -1.484 174 HE ARG 23 HE ARG 23 -2.331 -5.381 -1.118 175 1HH1 ARG 23 1HH2 ARG 23 -0.628 -7.838 -2.574 176 2HH1 ARG 23 2HH2 ARG 23 -0.341 -7.014 -4.070 177 1HH2 ARG 23 1HH1 ARG 23 -2.483 -4.388 -3.341 178 2HH2 ARG 23 2HH1 ARG 23 -1.391 -5.061 -4.505 179 H ARG 24 H ARG 24 -2.440 -9.839 3.383 180 HA ARG 24 HA ARG 24 -0.155 -11.658 3.819 181 1HB ARG 24 2HB ARG 24 -1.006 -9.738 5.753 182 2HB ARG 24 1HB ARG 24 -1.485 -11.331 6.343 183 1HG ARG 24 2HG ARG 24 0.911 -12.066 5.672 184 2HG ARG 24 1HG ARG 24 1.274 -10.339 5.642 185 1HD ARG 24 2HD ARG 24 1.463 -10.330 7.896 186 2HD ARG 24 1HD ARG 24 -0.194 -10.949 8.050 187 HE ARG 24 HE ARG 24 1.539 -13.073 7.205 188 1HH1 ARG 24 1HH2 ARG 24 -0.432 -12.287 9.681 189 2HH1 ARG 24 2HH2 ARG 24 0.543 -12.936 10.957 190 1HH2 ARG 24 1HH1 ARG 24 3.330 -13.404 8.948 191 2HH2 ARG 24 2HH1 ARG 24 2.672 -13.569 10.542 192 H GLY 25 H GLY 25 -2.241 -12.178 2.205 193 1HA GLY 25 2HA GLY 25 -3.317 -14.603 2.868 194 2HA GLY 25 1HA GLY 25 -4.458 -13.472 3.606 195 H THR 26 H THR 26 -3.632 -15.050 0.729 196 HA THR 26 HA THR 26 -4.248 -14.699 -1.532 197 HB THR 26 HB THR 26 -6.268 -15.506 -0.260 198 HG1 THR 26 1HG THR 26 -7.627 -14.092 -2.001 199 1HG2 THR 26 1HG2 THR 26 -6.778 -12.528 -0.152 200 2HG2 THR 26 2HG2 THR 26 -6.732 -13.672 1.192 201 3HG2 THR 26 3HG2 THR 26 -8.069 -13.715 0.042 202 H ASN 27 H ASN 27 -2.901 -12.486 -0.386 203 HA ASN 27 HA ASN 27 -2.733 -10.089 -0.479 204 1HB ASN 27 2HB ASN 27 -2.871 -11.454 -3.114 205 2HB ASN 27 1HB ASN 27 -2.822 -9.692 -3.117 206 1HD2 ASN 27 1HD2 ASN 27 -1.184 -12.211 -1.101 207 2HD2 ASN 27 2HD2 ASN 27 0.375 -11.573 -1.322 208 H ALA 28 H ALA 28 -4.534 -8.981 0.413 209 HA ALA 28 HA ALA 28 -6.543 -8.128 -1.606 210 1HB ALA 28 1HB ALA 28 -8.054 -8.505 0.678 211 2HB ALA 28 2HB ALA 28 -6.925 -9.859 0.737 212 3HB ALA 28 3HB ALA 28 -7.963 -9.636 -0.671 213 H GLU 29 H GLU 29 -5.232 -7.603 1.691 214 HA GLU 29 HA GLU 29 -5.117 -4.747 1.270 215 1HB GLU 29 2HB GLU 29 -7.515 -4.929 1.228 216 2HB GLU 29 1HB GLU 29 -7.521 -5.910 2.690 217 1HG GLU 29 2HG GLU 29 -6.147 -3.588 3.422 218 2HG GLU 29 1HG GLU 29 -7.475 -3.016 2.413 219 H LYS 30 H LYS 30 -3.100 -4.858 2.449 220 HA LYS 30 HA LYS 30 -3.407 -5.350 5.385 221 1HB LYS 30 2HB LYS 30 -1.302 -6.078 3.491 222 2HB LYS 30 1HB LYS 30 -0.763 -5.439 5.023 223 1HG LYS 30 2HG LYS 30 -1.118 -7.990 4.854 224 2HG LYS 30 1HG LYS 30 -1.781 -7.152 6.250 225 1HD LYS 30 2HD LYS 30 -3.988 -7.045 5.103 226 2HD LYS 30 1HD LYS 30 -3.310 -7.966 3.761 227 1HE LYS 30 2HE LYS 30 -3.600 -9.911 4.888 228 2HE LYS 30 1HE LYS 30 -2.743 -9.268 6.302 229 1HZ LYS 30 1HZ LYS 30 -5.355 -8.116 5.793 230 2HZ LYS 30 2HZ LYS 30 -4.641 -8.581 7.264 231 3HZ LYS 30 3HZ LYS 30 -5.375 -9.744 6.266 232 H ARG 31 H ARG 31 -0.660 -3.897 3.792 233 HA ARG 31 HA ARG 31 -1.515 -1.171 4.668 234 1HB ARG 31 2HB ARG 31 0.068 -2.794 6.226 235 2HB ARG 31 1HB ARG 31 1.276 -1.890 5.311 236 1HG ARG 31 2HG ARG 31 0.468 0.200 6.098 237 2HG ARG 31 1HG ARG 31 -1.038 -0.511 6.676 238 1HD ARG 31 2HD ARG 31 1.600 -1.432 7.814 239 2HD ARG 31 1HD ARG 31 0.799 0.021 8.445 240 HE ARG 31 HE ARG 31 -1.252 -1.811 8.355 241 1HH1 ARG 31 1HH2 ARG 31 1.666 -1.292 10.046 242 2HH1 ARG 31 2HH2 ARG 31 1.428 -2.599 11.158 243 1HH2 ARG 31 1HH1 ARG 31 -1.460 -3.737 9.612 244 2HH2 ARG 31 2HH1 ARG 31 -0.343 -3.983 10.912 245 H CYS 32 H CYS 32 -0.810 0.395 3.240 246 HA CYS 32 HA CYS 32 0.185 -0.207 0.672 247 1HB CYS 32 2HB CYS 32 0.216 2.243 2.437 248 2HB CYS 32 1HB CYS 32 0.835 2.280 0.785 249 H ARG 33 H ARG 33 2.251 -0.647 -0.102 250 HA ARG 33 HA ARG 33 4.640 0.277 1.382 251 1HB ARG 33 2HB ARG 33 3.815 -2.639 1.127 252 2HB ARG 33 1HB ARG 33 5.428 -2.123 1.616 253 1HG ARG 33 2HG ARG 33 4.335 -0.790 3.472 254 2HG ARG 33 1HG ARG 33 2.820 -1.587 3.057 255 1HD ARG 33 2HD ARG 33 4.588 -3.716 3.240 256 2HD ARG 33 1HD ARG 33 5.111 -2.643 4.548 257 HE ARG 33 HE ARG 33 2.265 -3.545 4.219 258 1HH1 ARG 33 1HH2 ARG 33 4.255 -1.536 6.008 259 2HH1 ARG 33 2HH2 ARG 33 3.800 -2.161 7.559 260 1HH2 ARG 33 1HH1 ARG 33 1.993 -4.815 6.250 261 2HH2 ARG 33 2HH1 ARG 33 2.518 -4.018 7.695 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -7.124 11.301 -7.790 2 2H GLY 1 2HT GLY 1 -5.856 10.980 -6.708 3 3H GLY 1 3HT GLY 1 -5.914 12.462 -7.535 4 1HA GLY 1 2HA GLY 1 -7.546 13.324 -6.220 5 2HA GLY 1 1HA GLY 1 -8.182 11.726 -5.830 6 H ASP 2 H ASP 2 -7.319 10.608 -4.065 7 HA ASP 2 HA ASP 2 -5.072 11.938 -2.592 8 1HB ASP 2 2HB ASP 2 -6.406 11.602 -0.523 9 2HB ASP 2 1HB ASP 2 -7.263 12.624 -1.680 10 H CYS 3 H CYS 3 -3.982 10.006 -3.740 11 HA CYS 3 HA CYS 3 -4.594 7.296 -3.081 12 1HB CYS 3 2HB CYS 3 -2.405 6.869 -3.998 13 2HB CYS 3 1HB CYS 3 -3.078 8.236 -4.888 14 H LEU 4 H LEU 4 -3.287 5.886 -1.633 15 HA LEU 4 HA LEU 4 -2.774 7.218 0.964 16 1HB LEU 4 2HB LEU 4 -2.670 4.282 0.198 17 2HB LEU 4 1HB LEU 4 -2.845 4.951 1.818 18 HG LEU 4 HG LEU 4 -4.855 5.006 -0.439 19 1HD1 LEU 4 1HD1 LEU 4 -4.831 3.012 1.014 20 2HD1 LEU 4 2HD1 LEU 4 -6.292 3.960 1.276 21 3HD1 LEU 4 3HD1 LEU 4 -4.970 4.045 2.437 22 1HD2 LEU 4 1HD2 LEU 4 -5.067 7.194 0.385 23 2HD2 LEU 4 2HD2 LEU 4 -4.628 6.721 2.026 24 3HD2 LEU 4 3HD2 LEU 4 -6.216 6.301 1.383 25 HA PRO 5 HA PRO 5 1.595 7.210 0.588 26 1HB PRO 5 2HB PRO 5 2.348 6.460 3.114 27 2HB PRO 5 1HB PRO 5 1.666 8.060 2.747 28 1HG PRO 5 2HG PRO 5 0.293 5.622 3.789 29 2HG PRO 5 1HG PRO 5 0.175 7.293 4.363 30 1HD PRO 5 2HD PRO 5 -1.713 6.240 2.812 31 2HD PRO 5 1HD PRO 5 -1.197 7.931 2.599 32 H HIS 6 H HIS 6 3.550 5.702 0.942 33 HA HIS 6 HA HIS 6 2.801 3.017 0.180 34 1HB HIS 6 2HB HIS 6 4.461 4.108 -1.152 35 2HB HIS 6 1HB HIS 6 5.368 4.592 0.280 36 HD1 HIS 6 1HD HIS 6 7.495 3.276 0.197 37 HD2 HIS 6 2HD HIS 6 4.182 0.916 -0.699 38 HE1 HIS 6 1HE HIS 6 8.352 0.906 -0.054 39 H LEU 7 H LEU 7 2.352 3.823 2.940 40 HA LEU 7 HA LEU 7 3.609 1.583 4.226 41 1HB LEU 7 2HB LEU 7 4.627 4.330 4.482 42 2HB LEU 7 1HB LEU 7 4.449 3.460 6.009 43 HG LEU 7 HG LEU 7 5.574 1.683 4.052 44 1HD1 LEU 7 1HD1 LEU 7 6.250 4.112 3.225 45 2HD1 LEU 7 2HD1 LEU 7 7.429 2.800 3.233 46 3HD1 LEU 7 3HD1 LEU 7 7.423 3.988 4.537 47 1HD2 LEU 7 1HD2 LEU 7 5.830 2.381 6.778 48 2HD2 LEU 7 2HD2 LEU 7 7.428 2.611 6.068 49 3HD2 LEU 7 3HD2 LEU 7 6.623 1.046 5.942 50 H LYS 8 H LYS 8 0.893 3.129 3.830 51 HA LYS 8 HA LYS 8 0.064 2.982 6.716 52 1HB LYS 8 2HB LYS 8 -0.062 5.223 5.625 53 2HB LYS 8 1HB LYS 8 -1.125 4.545 4.392 54 1HG LYS 8 2HG LYS 8 -2.100 3.885 7.040 55 2HG LYS 8 1HG LYS 8 -1.891 5.627 6.876 56 1HD LYS 8 2HD LYS 8 -3.171 4.178 4.602 57 2HD LYS 8 1HD LYS 8 -4.128 4.404 6.067 58 1HE LYS 8 2HE LYS 8 -2.734 6.860 5.408 59 2HE LYS 8 1HE LYS 8 -3.718 6.312 4.035 60 1HZ LYS 8 1HZ LYS 8 -5.483 5.825 5.780 61 2HZ LYS 8 2HZ LYS 8 -5.214 7.458 5.397 62 3HZ LYS 8 3HZ LYS 8 -4.573 6.802 6.826 63 H ARG 9 H ARG 9 -2.147 2.051 7.038 64 HA ARG 9 HA ARG 9 -2.560 -0.339 5.554 65 1HB ARG 9 2HB ARG 9 -3.392 0.546 7.910 66 2HB ARG 9 1HB ARG 9 -4.798 1.065 6.979 67 1HG ARG 9 2HG ARG 9 -4.484 -1.455 6.014 68 2HG ARG 9 1HG ARG 9 -3.897 -1.674 7.662 69 1HD ARG 9 2HD ARG 9 -6.018 -0.555 8.473 70 2HD ARG 9 1HD ARG 9 -6.609 -0.626 6.801 71 HE ARG 9 HE ARG 9 -5.970 -3.170 7.038 72 1HH1 ARG 9 1HH2 ARG 9 -7.896 -1.136 8.966 73 2HH1 ARG 9 2HH2 ARG 9 -8.356 -2.375 10.085 74 1HH2 ARG 9 1HH1 ARG 9 -6.256 -4.769 8.715 75 2HH2 ARG 9 2HH1 ARG 9 -7.428 -4.430 9.944 76 H CYS 10 H CYS 10 -3.729 -0.732 3.682 77 HA CYS 10 HA CYS 10 -5.154 1.632 2.496 78 1HB CYS 10 2HB CYS 10 -4.321 0.897 0.375 79 2HB CYS 10 1HB CYS 10 -2.965 0.794 1.497 80 H LYS 11 H LYS 11 -7.089 1.203 1.316 81 HA LYS 11 HA LYS 11 -8.615 -1.132 2.267 82 1HB LYS 11 2HB LYS 11 -9.066 1.501 0.963 83 2HB LYS 11 1HB LYS 11 -10.235 0.242 0.561 84 1HG LYS 11 2HG LYS 11 -9.460 1.086 3.369 85 2HG LYS 11 1HG LYS 11 -10.956 1.528 2.546 86 1HD LYS 11 2HD LYS 11 -11.255 -1.048 2.234 87 2HD LYS 11 1HD LYS 11 -10.081 -1.172 3.544 88 1HE LYS 11 2HE LYS 11 -11.939 -1.004 4.884 89 2HE LYS 11 1HE LYS 11 -11.800 0.732 4.537 90 1HZ LYS 11 1HZ LYS 11 -13.969 0.124 3.885 91 2HZ LYS 11 2HZ LYS 11 -13.433 -1.288 3.106 92 3HZ LYS 11 3HZ LYS 11 -13.083 0.238 2.443 93 H ALA 12 H ALA 12 -7.068 0.037 -0.667 94 HA ALA 12 HA ALA 12 -7.563 -2.605 -1.953 95 1HB ALA 12 1HB ALA 12 -7.910 -0.048 -3.505 96 2HB ALA 12 2HB ALA 12 -9.244 -0.663 -2.528 97 3HB ALA 12 3HB ALA 12 -8.584 -1.644 -3.837 98 H ASP 13 H ASP 13 -5.782 -3.272 -3.161 99 HA ASP 13 HA ASP 13 -3.222 -2.349 -2.790 100 1HB ASP 13 2HB ASP 13 -4.454 -3.475 -5.322 101 2HB ASP 13 1HB ASP 13 -2.729 -3.511 -4.929 102 H ASN 14 H ASN 14 -5.614 -1.014 -5.025 103 HA ASN 14 HA ASN 14 -3.679 0.750 -6.353 104 1HB ASN 14 2HB ASN 14 -5.966 -0.385 -7.115 105 2HB ASN 14 1HB ASN 14 -6.647 1.114 -6.480 106 1HD2 ASN 14 1HD2 ASN 14 -7.163 1.374 -8.937 107 2HD2 ASN 14 2HD2 ASN 14 -5.971 2.120 -9.889 108 H ASP 15 H ASP 15 -5.416 0.892 -3.403 109 HA ASP 15 HA ASP 15 -6.046 3.684 -3.303 110 1HB ASP 15 2HB ASP 15 -6.222 1.391 -1.714 111 2HB ASP 15 1HB ASP 15 -5.400 2.603 -0.733 112 H CYS 16 H CYS 16 -3.090 1.889 -2.661 113 HA CYS 16 HA CYS 16 -1.675 4.096 -1.334 114 1HB CYS 16 2HB CYS 16 -0.676 1.577 -2.727 115 2HB CYS 16 1HB CYS 16 0.199 2.531 -1.519 116 H CYS 17 H CYS 17 0.097 5.289 -2.342 117 HA CYS 17 HA CYS 17 -0.349 5.937 -5.157 118 1HB CYS 17 2HB CYS 17 0.891 7.061 -2.843 119 2HB CYS 17 1HB CYS 17 2.046 7.018 -4.172 120 H GLY 18 H GLY 18 1.478 3.615 -3.438 121 1HA GLY 18 2HA GLY 18 3.601 3.408 -5.472 122 2HA GLY 18 1HA GLY 18 3.381 2.334 -4.084 123 H LYS 19 H LYS 19 0.399 2.344 -4.976 124 HA LYS 19 HA LYS 19 -1.001 0.986 -6.281 125 1HB LYS 19 2HB LYS 19 0.688 2.183 -7.980 126 2HB LYS 19 1HB LYS 19 1.241 0.524 -8.211 127 1HG LYS 19 2HG LYS 19 -1.159 -0.136 -8.618 128 2HG LYS 19 1HG LYS 19 -1.575 1.578 -8.591 129 1HD LYS 19 2HD LYS 19 -1.234 1.258 -10.869 130 2HD LYS 19 1HD LYS 19 0.380 1.759 -10.363 131 1HE LYS 19 2HE LYS 19 1.276 -0.336 -10.689 132 2HE LYS 19 1HE LYS 19 -0.212 -1.160 -10.186 133 1HZ LYS 19 1HZ LYS 19 0.608 -0.418 -12.803 134 2HZ LYS 19 2HZ LYS 19 -0.875 0.320 -12.426 135 3HZ LYS 19 3HZ LYS 19 -0.714 -1.368 -12.330 136 H LYS 20 H LYS 20 1.519 -0.026 -4.558 137 HA LYS 20 HA LYS 20 1.015 -2.903 -5.201 138 1HB LYS 20 2HB LYS 20 3.501 -1.302 -5.129 139 2HB LYS 20 1HB LYS 20 3.595 -2.834 -4.259 140 1HG LYS 20 2HG LYS 20 2.382 -2.782 -7.006 141 2HG LYS 20 1HG LYS 20 4.138 -2.760 -6.839 142 1HD LYS 20 2HD LYS 20 3.322 -4.731 -5.045 143 2HD LYS 20 1HD LYS 20 2.271 -4.966 -6.442 144 1HE LYS 20 2HE LYS 20 4.806 -4.496 -7.553 145 2HE LYS 20 1HE LYS 20 5.104 -5.577 -6.178 146 1HZ LYS 20 1HZ LYS 20 3.510 -7.101 -6.947 147 2HZ LYS 20 2HZ LYS 20 4.408 -6.683 -8.328 148 3HZ LYS 20 3HZ LYS 20 2.871 -6.008 -8.075 149 H CYS 21 H CYS 21 -0.586 -2.270 -3.343 150 HA CYS 21 HA CYS 21 0.588 -1.855 -0.708 151 1HB CYS 21 2HB CYS 21 -1.727 -1.184 -1.644 152 2HB CYS 21 1HB CYS 21 -2.193 -2.860 -1.330 153 H LYS 22 H LYS 22 0.344 -3.559 1.043 154 HA LYS 22 HA LYS 22 0.424 -6.326 -0.118 155 1HB LYS 22 2HB LYS 22 2.133 -4.883 1.897 156 2HB LYS 22 1HB LYS 22 2.049 -6.646 1.896 157 1HG LYS 22 2HG LYS 22 2.612 -6.557 -0.582 158 2HG LYS 22 1HG LYS 22 2.968 -4.843 -0.354 159 1HD LYS 22 2HD LYS 22 4.492 -5.632 1.589 160 2HD LYS 22 1HD LYS 22 4.369 -7.227 0.846 161 1HE LYS 22 2HE LYS 22 4.913 -5.356 -1.246 162 2HE LYS 22 1HE LYS 22 6.073 -5.062 0.066 163 1HZ LYS 22 1HZ LYS 22 5.388 -7.812 -0.763 164 2HZ LYS 22 2HZ LYS 22 6.766 -7.261 0.065 165 3HZ LYS 22 3HZ LYS 22 6.583 -6.939 -1.593 166 H ARG 23 H ARG 23 -0.105 -8.029 1.506 167 HA ARG 23 HA ARG 23 -2.088 -7.126 3.536 168 1HB ARG 23 2HB ARG 23 -3.467 -8.881 2.894 169 2HB ARG 23 1HB ARG 23 -2.728 -8.452 1.367 170 1HG ARG 23 2HG ARG 23 -2.117 -10.610 1.186 171 2HG ARG 23 1HG ARG 23 -0.936 -10.286 2.452 172 1HD ARG 23 2HD ARG 23 -2.528 -12.251 2.897 173 2HD ARG 23 1HD ARG 23 -2.476 -11.026 4.175 174 HE ARG 23 HE ARG 23 -4.535 -10.831 2.021 175 1HH1 ARG 23 1HH2 ARG 23 -5.084 -12.740 4.350 176 2HH1 ARG 23 2HH2 ARG 23 -6.003 -11.717 5.403 177 1HH2 ARG 23 1HH1 ARG 23 -5.084 -8.784 3.800 178 2HH2 ARG 23 2HH1 ARG 23 -6.005 -9.480 5.091 179 H ARG 24 H ARG 24 -2.339 -9.390 5.047 180 HA ARG 24 HA ARG 24 0.375 -9.686 6.210 181 1HB ARG 24 2HB ARG 24 -1.899 -9.205 7.415 182 2HB ARG 24 1HB ARG 24 -2.158 -10.940 7.248 183 1HG ARG 24 2HG ARG 24 -0.305 -11.475 8.589 184 2HG ARG 24 1HG ARG 24 0.429 -9.887 8.371 185 1HD ARG 24 2HD ARG 24 -0.442 -9.647 10.520 186 2HD ARG 24 1HD ARG 24 -1.831 -9.088 9.566 187 HE ARG 24 HE ARG 24 -1.604 -11.985 10.239 188 1HH1 ARG 24 1HH1 ARG 24 -2.628 -9.772 12.251 189 2HH1 ARG 24 2HH1 ARG 24 -4.333 -10.038 12.105 190 1HH2 ARG 24 1HH2 ARG 24 -4.057 -11.979 9.247 191 2HH2 ARG 24 2HH2 ARG 24 -5.142 -11.288 10.407 192 H GLY 25 H GLY 25 0.277 -10.938 3.766 193 1HA GLY 25 2HA GLY 25 1.025 -13.620 4.368 194 2HA GLY 25 1HA GLY 25 -0.618 -13.635 3.726 195 H THR 26 H THR 26 -0.894 -12.394 1.607 196 HA THR 26 HA THR 26 1.587 -12.301 -0.039 197 HB THR 26 HB THR 26 0.788 -14.572 -0.267 198 HG1 THR 26 1HG THR 26 -0.104 -14.376 -2.520 199 1HG2 THR 26 1HG2 THR 26 -1.510 -14.065 0.615 200 2HG2 THR 26 2HG2 THR 26 -1.507 -15.120 -0.797 201 3HG2 THR 26 3HG2 THR 26 -1.920 -13.414 -0.972 202 H ASN 27 H ASN 27 0.704 -9.968 0.436 203 HA ASN 27 HA ASN 27 -0.327 -8.003 -0.326 204 1HB ASN 27 2HB ASN 27 -0.129 -7.710 -2.646 205 2HB ASN 27 1HB ASN 27 1.056 -8.961 -2.278 206 1HD2 ASN 27 1HD2 ASN 27 -2.414 -8.679 -3.250 207 2HD2 ASN 27 2HD2 ASN 27 -2.392 -10.055 -4.244 208 H ALA 28 H ALA 28 -2.359 -7.116 -0.418 209 HA ALA 28 HA ALA 28 -4.666 -8.102 -1.676 210 1HB ALA 28 1HB ALA 28 -3.775 -9.733 0.503 211 2HB ALA 28 2HB ALA 28 -5.207 -9.952 -0.501 212 3HB ALA 28 3HB ALA 28 -5.301 -8.980 0.967 213 H GLU 29 H GLU 29 -3.851 -7.041 1.665 214 HA GLU 29 HA GLU 29 -4.868 -4.389 1.271 215 1HB GLU 29 2HB GLU 29 -6.969 -5.587 0.947 216 2HB GLU 29 1HB GLU 29 -6.759 -6.416 2.488 217 1HG GLU 29 2HG GLU 29 -7.352 -4.576 3.715 218 2HG GLU 29 1HG GLU 29 -6.640 -3.449 2.560 219 H LYS 30 H LYS 30 -2.603 -5.074 2.711 220 HA LYS 30 HA LYS 30 -3.493 -4.735 5.542 221 1HB LYS 30 2HB LYS 30 -1.061 -5.987 4.337 222 2HB LYS 30 1HB LYS 30 -0.945 -5.238 5.923 223 1HG LYS 30 2HG LYS 30 -2.837 -7.465 5.123 224 2HG LYS 30 1HG LYS 30 -1.500 -7.563 6.267 225 1HD LYS 30 2HD LYS 30 -3.012 -5.432 7.215 226 2HD LYS 30 1HD LYS 30 -4.227 -6.590 6.674 227 1HE LYS 30 2HE LYS 30 -3.397 -8.299 8.121 228 2HE LYS 30 1HE LYS 30 -1.896 -7.403 8.434 229 1HZ LYS 30 1HZ LYS 30 -4.649 -6.676 9.261 230 2HZ LYS 30 2HZ LYS 30 -3.360 -5.570 9.290 231 3HZ LYS 30 3HZ LYS 30 -3.308 -6.965 10.259 232 H ARG 31 H ARG 31 -0.348 -3.884 4.211 233 HA ARG 31 HA ARG 31 -1.034 -0.993 4.645 234 1HB ARG 31 2HB ARG 31 1.009 -2.756 5.858 235 2HB ARG 31 1HB ARG 31 1.612 -1.184 5.330 236 1HG ARG 31 2HG ARG 31 -0.784 -0.534 6.553 237 2HG ARG 31 1HG ARG 31 -0.171 -1.839 7.570 238 1HD ARG 31 2HD ARG 31 1.934 -0.667 7.911 239 2HD ARG 31 1HD ARG 31 1.460 0.594 6.755 240 HE ARG 31 HE ARG 31 -0.625 0.480 8.626 241 1HH1 ARG 31 1HH1 ARG 31 2.542 1.652 8.187 242 2HH1 ARG 31 2HH1 ARG 31 2.626 2.449 9.723 243 1HH2 ARG 31 1HH2 ARG 31 -0.438 1.251 10.812 244 2HH2 ARG 31 2HH2 ARG 31 0.939 2.222 11.208 245 H CYS 32 H CYS 32 -0.074 0.442 3.144 246 HA CYS 32 HA CYS 32 0.540 -0.468 0.540 247 1HB CYS 32 2HB CYS 32 1.454 2.046 1.980 248 2HB CYS 32 1HB CYS 32 1.382 1.835 0.228 249 H ARG 33 H ARG 33 2.325 -1.548 -0.214 250 HA ARG 33 HA ARG 33 5.004 -0.920 0.883 251 1HB ARG 33 2HB ARG 33 3.594 -3.598 1.082 252 2HB ARG 33 1HB ARG 33 5.331 -3.406 1.322 253 1HG ARG 33 2HG ARG 33 4.890 -1.780 3.137 254 2HG ARG 33 1HG ARG 33 3.158 -2.016 2.917 255 1HD ARG 33 2HD ARG 33 4.006 -4.610 3.185 256 2HD ARG 33 1HD ARG 33 5.113 -3.754 4.279 257 HE ARG 33 HE ARG 33 2.215 -3.091 4.424 258 1HH1 ARG 33 1HH2 ARG 33 4.808 -2.663 6.264 259 2HH1 ARG 33 2HH2 ARG 33 4.290 -3.576 7.642 260 1HH2 ARG 33 1HH1 ARG 33 1.638 -5.072 5.982 261 2HH2 ARG 33 2HH1 ARG 33 2.496 -4.943 7.481 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -2.098 14.594 -4.098 2 2H GLY 1 2HT GLY 1 -2.029 14.994 -5.747 3 3H GLY 1 3HT GLY 1 -0.595 14.791 -4.859 4 1HA GLY 1 2HA GLY 1 -1.414 12.898 -6.401 5 2HA GLY 1 1HA GLY 1 -0.756 12.515 -4.808 6 H ASP 2 H ASP 2 -2.988 11.311 -6.608 7 HA ASP 2 HA ASP 2 -5.257 11.453 -4.671 8 1HB ASP 2 2HB ASP 2 -6.448 10.324 -6.590 9 2HB ASP 2 1HB ASP 2 -5.768 11.900 -7.000 10 H CYS 3 H CYS 3 -3.293 10.045 -3.485 11 HA CYS 3 HA CYS 3 -4.361 7.305 -3.417 12 1HB CYS 3 2HB CYS 3 -2.051 6.371 -3.898 13 2HB CYS 3 1HB CYS 3 -2.848 7.117 -5.285 14 H LEU 4 H LEU 4 -2.733 6.002 -1.839 15 HA LEU 4 HA LEU 4 -2.283 7.805 0.504 16 1HB LEU 4 2HB LEU 4 -2.542 4.785 0.334 17 2HB LEU 4 1HB LEU 4 -2.604 5.759 1.798 18 HG LEU 4 HG LEU 4 -4.527 6.505 -0.336 19 1HD1 LEU 4 1HD1 LEU 4 -5.456 4.285 1.374 20 2HD1 LEU 4 2HD1 LEU 4 -4.276 3.825 0.147 21 3HD1 LEU 4 3HD1 LEU 4 -5.782 4.608 -0.328 22 1HD2 LEU 4 1HD2 LEU 4 -4.249 7.444 2.074 23 2HD2 LEU 4 2HD2 LEU 4 -5.051 5.959 2.584 24 3HD2 LEU 4 3HD2 LEU 4 -5.880 7.084 1.509 25 HA PRO 5 HA PRO 5 2.070 7.180 0.466 26 1HB PRO 5 2HB PRO 5 2.618 6.611 3.089 27 2HB PRO 5 1HB PRO 5 2.150 8.235 2.535 28 1HG PRO 5 2HG PRO 5 0.432 6.085 3.716 29 2HG PRO 5 1HG PRO 5 0.516 7.802 4.147 30 1HD PRO 5 2HD PRO 5 -1.430 6.896 2.600 31 2HD PRO 5 1HD PRO 5 -0.660 8.461 2.248 32 H HIS 6 H HIS 6 3.784 5.486 0.832 33 HA HIS 6 HA HIS 6 2.695 2.824 0.548 34 1HB HIS 6 2HB HIS 6 4.741 2.319 -0.459 35 2HB HIS 6 1HB HIS 6 4.603 4.043 -0.789 36 HD1 HIS 6 1HD HIS 6 6.225 5.627 0.436 37 HD2 HIS 6 2HD HIS 6 6.643 1.649 1.587 38 HE1 HIS 6 1HE HIS 6 8.344 5.486 1.811 39 H LEU 7 H LEU 7 2.375 3.954 3.119 40 HA LEU 7 HA LEU 7 3.694 1.960 4.740 41 1HB LEU 7 2HB LEU 7 4.846 4.463 4.360 42 2HB LEU 7 1HB LEU 7 4.016 4.619 5.906 43 HG LEU 7 HG LEU 7 6.378 3.823 6.125 44 1HD1 LEU 7 1HD1 LEU 7 4.006 2.723 7.295 45 2HD1 LEU 7 2HD1 LEU 7 5.600 2.907 8.024 46 3HD1 LEU 7 3HD1 LEU 7 5.197 1.436 7.137 47 1HD2 LEU 7 1HD2 LEU 7 5.378 1.243 4.902 48 2HD2 LEU 7 2HD2 LEU 7 7.030 1.662 5.347 49 3HD2 LEU 7 3HD2 LEU 7 6.262 2.455 3.975 50 H LYS 8 H LYS 8 0.939 2.798 3.948 51 HA LYS 8 HA LYS 8 -0.177 3.095 6.711 52 1HB LYS 8 2HB LYS 8 -0.083 5.225 5.278 53 2HB LYS 8 1HB LYS 8 -1.280 4.451 4.239 54 1HG LYS 8 2HG LYS 8 -2.685 4.095 6.334 55 2HG LYS 8 1HG LYS 8 -1.562 5.176 7.162 56 1HD LYS 8 2HD LYS 8 -2.662 6.952 6.332 57 2HD LYS 8 1HD LYS 8 -2.294 6.408 4.694 58 1HE LYS 8 2HE LYS 8 -4.508 6.011 4.414 59 2HE LYS 8 1HE LYS 8 -4.374 4.721 5.626 60 1HZ LYS 8 1HZ LYS 8 -4.588 6.428 7.362 61 2HZ LYS 8 2HZ LYS 8 -5.967 6.356 6.370 62 3HZ LYS 8 3HZ LYS 8 -4.835 7.608 6.168 63 H ARG 9 H ARG 9 -2.251 2.036 6.959 64 HA ARG 9 HA ARG 9 -2.612 -0.358 5.478 65 1HB ARG 9 2HB ARG 9 -3.477 -0.034 7.726 66 2HB ARG 9 1HB ARG 9 -4.494 1.304 7.183 67 1HG ARG 9 2HG ARG 9 -6.114 -0.266 6.944 68 2HG ARG 9 1HG ARG 9 -5.246 -0.725 5.478 69 1HD ARG 9 2HD ARG 9 -3.803 -2.213 7.081 70 2HD ARG 9 1HD ARG 9 -5.177 -2.035 8.192 71 HE ARG 9 HE ARG 9 -5.366 -3.196 5.442 72 1HH1 ARG 9 1HH1 ARG 9 -5.947 -3.675 8.703 73 2HH1 ARG 9 2HH1 ARG 9 -7.558 -4.283 8.513 74 1HH2 ARG 9 1HH2 ARG 9 -7.728 -3.530 5.134 75 2HH2 ARG 9 2HH2 ARG 9 -8.566 -4.203 6.493 76 H CYS 10 H CYS 10 -4.078 -0.887 3.786 77 HA CYS 10 HA CYS 10 -5.416 1.444 2.455 78 1HB CYS 10 2HB CYS 10 -4.538 0.684 0.358 79 2HB CYS 10 1HB CYS 10 -3.187 0.635 1.488 80 H LYS 11 H LYS 11 -7.442 0.971 1.528 81 HA LYS 11 HA LYS 11 -8.715 -1.543 2.394 82 1HB LYS 11 2HB LYS 11 -9.838 0.638 2.608 83 2HB LYS 11 1HB LYS 11 -9.695 0.894 0.869 84 1HG LYS 11 2HG LYS 11 -11.146 -0.990 0.410 85 2HG LYS 11 1HG LYS 11 -11.172 -1.439 2.115 86 1HD LYS 11 2HD LYS 11 -13.205 -0.260 1.774 87 2HD LYS 11 1HD LYS 11 -12.133 0.910 2.544 88 1HE LYS 11 2HE LYS 11 -12.743 2.250 0.782 89 2HE LYS 11 1HE LYS 11 -11.542 1.299 -0.115 90 1HZ LYS 11 1HZ LYS 11 -13.545 -0.378 -0.236 91 2HZ LYS 11 2HZ LYS 11 -13.378 0.873 -1.375 92 3HZ LYS 11 3HZ LYS 11 -14.461 1.041 -0.076 93 H ALA 12 H ALA 12 -7.057 -0.362 -0.349 94 HA ALA 12 HA ALA 12 -7.673 -2.800 -1.876 95 1HB ALA 12 1HB ALA 12 -8.472 -1.375 -3.833 96 2HB ALA 12 2HB ALA 12 -8.562 -0.023 -2.705 97 3HB ALA 12 3HB ALA 12 -9.579 -1.444 -2.461 98 H ASP 13 H ASP 13 -5.874 -3.318 -3.089 99 HA ASP 13 HA ASP 13 -3.370 -2.224 -2.895 100 1HB ASP 13 2HB ASP 13 -4.670 -3.314 -5.409 101 2HB ASP 13 1HB ASP 13 -2.938 -3.325 -5.051 102 H ASN 14 H ASN 14 -6.011 -0.973 -4.866 103 HA ASN 14 HA ASN 14 -4.292 0.953 -6.280 104 1HB ASN 14 2HB ASN 14 -7.306 0.646 -6.140 105 2HB ASN 14 1HB ASN 14 -6.408 1.558 -7.353 106 1HD2 ASN 14 1HD2 ASN 14 -5.884 0.412 -9.226 107 2HD2 ASN 14 2HD2 ASN 14 -5.854 -1.281 -9.352 108 H ASP 15 H ASP 15 -5.023 0.978 -3.162 109 HA ASP 15 HA ASP 15 -6.108 3.735 -3.008 110 1HB ASP 15 2HB ASP 15 -6.299 1.386 -1.515 111 2HB ASP 15 1HB ASP 15 -5.460 2.527 -0.484 112 H CYS 16 H CYS 16 -3.159 1.932 -2.589 113 HA CYS 16 HA CYS 16 -1.698 3.998 -1.102 114 1HB CYS 16 2HB CYS 16 -0.778 1.593 -2.721 115 2HB CYS 16 1HB CYS 16 0.135 2.415 -1.452 116 H CYS 17 H CYS 17 0.361 4.885 -2.118 117 HA CYS 17 HA CYS 17 -0.253 6.080 -4.739 118 1HB CYS 17 2HB CYS 17 1.841 6.426 -2.593 119 2HB CYS 17 1HB CYS 17 1.973 7.245 -4.152 120 H GLY 18 H GLY 18 1.491 3.361 -3.528 121 1HA GLY 18 2HA GLY 18 3.270 3.353 -5.922 122 2HA GLY 18 1HA GLY 18 3.456 2.310 -4.510 123 H LYS 19 H LYS 19 0.239 2.292 -5.009 124 HA LYS 19 HA LYS 19 -1.229 0.712 -5.984 125 1HB LYS 19 2HB LYS 19 0.266 1.812 -7.959 126 2HB LYS 19 1HB LYS 19 0.767 0.128 -8.119 127 1HG LYS 19 2HG LYS 19 -2.130 0.445 -7.764 128 2HG LYS 19 1HG LYS 19 -1.517 1.215 -9.228 129 1HD LYS 19 2HD LYS 19 -0.848 -1.632 -8.443 130 2HD LYS 19 1HD LYS 19 -2.181 -1.209 -9.518 131 1HE LYS 19 2HE LYS 19 0.648 -0.264 -10.048 132 2HE LYS 19 1HE LYS 19 0.028 -1.802 -10.681 133 1HZ LYS 19 1HZ LYS 19 -0.472 -0.163 -12.297 134 2HZ LYS 19 2HZ LYS 19 -1.074 0.916 -11.130 135 3HZ LYS 19 3HZ LYS 19 -1.931 -0.503 -11.503 136 H LYS 20 H LYS 20 1.357 0.027 -4.330 137 HA LYS 20 HA LYS 20 1.221 -2.920 -4.831 138 1HB LYS 20 2HB LYS 20 3.677 -2.807 -4.040 139 2HB LYS 20 1HB LYS 20 3.333 -2.174 -5.649 140 1HG LYS 20 2HG LYS 20 3.298 0.102 -4.812 141 2HG LYS 20 1HG LYS 20 3.444 -0.467 -3.148 142 1HD LYS 20 2HD LYS 20 5.645 -1.521 -3.783 143 2HD LYS 20 1HD LYS 20 5.513 -0.718 -5.348 144 1HE LYS 20 2HE LYS 20 5.009 1.322 -3.495 145 2HE LYS 20 1HE LYS 20 6.354 0.400 -2.795 146 1HZ LYS 20 1HZ LYS 20 6.300 1.052 -5.673 147 2HZ LYS 20 2HZ LYS 20 7.631 0.643 -4.699 148 3HZ LYS 20 3HZ LYS 20 6.903 2.170 -4.550 149 H CYS 21 H CYS 21 -0.524 -2.535 -3.074 150 HA CYS 21 HA CYS 21 0.473 -1.907 -0.398 151 1HB CYS 21 2HB CYS 21 -1.877 -1.579 -1.496 152 2HB CYS 21 1HB CYS 21 -2.140 -3.266 -1.041 153 H LYS 22 H LYS 22 1.243 -3.509 1.058 154 HA LYS 22 HA LYS 22 1.367 -6.277 -0.017 155 1HB LYS 22 2HB LYS 22 2.827 -4.675 2.066 156 2HB LYS 22 1HB LYS 22 3.030 -6.422 1.967 157 1HG LYS 22 2HG LYS 22 3.219 -5.415 -0.679 158 2HG LYS 22 1HG LYS 22 4.229 -4.385 0.334 159 1HD LYS 22 2HD LYS 22 5.155 -6.567 1.332 160 2HD LYS 22 1HD LYS 22 4.404 -7.373 -0.044 161 1HE LYS 22 2HE LYS 22 5.658 -5.762 -1.555 162 2HE LYS 22 1HE LYS 22 6.558 -5.238 -0.117 163 1HZ LYS 22 1HZ LYS 22 7.814 -7.004 -0.949 164 2HZ LYS 22 2HZ LYS 22 6.442 -7.933 -1.334 165 3HZ LYS 22 3HZ LYS 22 6.899 -7.719 0.288 166 H ARG 23 H ARG 23 -0.327 -7.510 0.570 167 HA ARG 23 HA ARG 23 -1.819 -7.263 3.033 168 1HB ARG 23 2HB ARG 23 -3.315 -8.472 1.841 169 2HB ARG 23 1HB ARG 23 -2.238 -8.153 0.492 170 1HG ARG 23 2HG ARG 23 -2.395 -10.452 0.333 171 2HG ARG 23 1HG ARG 23 -1.001 -10.326 1.406 172 1HD ARG 23 2HD ARG 23 -2.209 -11.668 2.810 173 2HD ARG 23 1HD ARG 23 -3.152 -10.209 3.165 174 HE ARG 23 HE ARG 23 -4.223 -11.188 0.785 175 1HH1 ARG 23 1HH2 ARG 23 -3.574 -12.479 3.918 176 2HH1 ARG 23 2HH2 ARG 23 -4.982 -13.486 3.937 177 1HH2 ARG 23 1HH1 ARG 23 -6.104 -12.443 0.829 178 2HH2 ARG 23 2HH1 ARG 23 -6.412 -13.467 2.193 179 H ARG 24 H ARG 24 -2.106 -9.357 4.417 180 HA ARG 24 HA ARG 24 0.560 -10.301 5.226 181 1HB ARG 24 2HB ARG 24 -1.045 -9.712 6.926 182 2HB ARG 24 1HB ARG 24 -2.277 -10.743 6.199 183 1HG ARG 24 2HG ARG 24 -1.517 -12.548 7.313 184 2HG ARG 24 1HG ARG 24 0.130 -12.262 6.751 185 1HD ARG 24 2HD ARG 24 -0.453 -10.252 8.690 186 2HD ARG 24 1HD ARG 24 -0.926 -11.818 9.378 187 HE ARG 24 HE ARG 24 1.570 -12.138 8.030 188 1HH1 ARG 24 1HH1 ARG 24 0.991 -13.047 10.844 189 2HH1 ARG 24 2HH1 ARG 24 2.068 -12.053 11.767 190 1HH2 ARG 24 1HH2 ARG 24 2.619 -9.800 9.190 191 2HH2 ARG 24 2HH2 ARG 24 2.990 -10.215 10.830 192 H GLY 25 H GLY 25 0.284 -11.251 2.705 193 1HA GLY 25 2HA GLY 25 0.563 -14.056 2.937 194 2HA GLY 25 1HA GLY 25 -1.097 -13.747 2.424 195 H THR 26 H THR 26 -1.380 -12.453 0.431 196 HA THR 26 HA THR 26 0.997 -12.353 -1.364 197 HB THR 26 HB THR 26 -0.052 -14.578 -1.600 198 HG1 THR 26 1HG THR 26 0.536 -12.997 -3.476 199 1HG2 THR 26 1HG2 THR 26 -2.552 -13.142 -2.501 200 2HG2 THR 26 2HG2 THR 26 -2.331 -13.693 -0.840 201 3HG2 THR 26 3HG2 THR 26 -2.346 -14.861 -2.163 202 H ASN 27 H ASN 27 0.054 -10.051 -0.458 203 HA ASN 27 HA ASN 27 -0.896 -7.988 -1.094 204 1HB ASN 27 2HB ASN 27 0.328 -8.338 -3.116 205 2HB ASN 27 1HB ASN 27 -0.837 -9.530 -3.687 206 1HD2 ASN 27 1HD2 ASN 27 -2.744 -8.763 -4.735 207 2HD2 ASN 27 2HD2 ASN 27 -3.050 -7.117 -5.011 208 H ALA 28 H ALA 28 -2.939 -7.119 -1.005 209 HA ALA 28 HA ALA 28 -5.301 -8.066 -2.197 210 1HB ALA 28 1HB ALA 28 -6.197 -9.213 -0.016 211 2HB ALA 28 2HB ALA 28 -4.489 -9.388 0.383 212 3HB ALA 28 3HB ALA 28 -5.134 -10.134 -1.080 213 H GLU 29 H GLU 29 -4.141 -7.027 1.022 214 HA GLU 29 HA GLU 29 -5.145 -4.384 0.874 215 1HB GLU 29 2HB GLU 29 -7.260 -4.787 2.277 216 2HB GLU 29 1HB GLU 29 -7.333 -5.252 0.582 217 1HG GLU 29 2HG GLU 29 -6.843 -7.585 1.179 218 2HG GLU 29 1HG GLU 29 -6.703 -7.132 2.878 219 H LYS 30 H LYS 30 -2.970 -4.590 2.188 220 HA LYS 30 HA LYS 30 -3.728 -4.749 5.055 221 1HB LYS 30 2HB LYS 30 -1.390 -5.861 3.664 222 2HB LYS 30 1HB LYS 30 -1.208 -5.326 5.326 223 1HG LYS 30 2HG LYS 30 -3.142 -7.421 4.288 224 2HG LYS 30 1HG LYS 30 -1.788 -7.678 5.385 225 1HD LYS 30 2HD LYS 30 -4.317 -6.105 5.965 226 2HD LYS 30 1HD LYS 30 -3.853 -7.652 6.658 227 1HE LYS 30 2HE LYS 30 -1.714 -5.739 7.049 228 2HE LYS 30 1HE LYS 30 -3.239 -5.112 7.708 229 1HZ LYS 30 1HZ LYS 30 -2.553 -6.478 9.408 230 2HZ LYS 30 2HZ LYS 30 -1.813 -7.598 8.367 231 3HZ LYS 30 3HZ LYS 30 -3.506 -7.556 8.510 232 H ARG 31 H ARG 31 -0.583 -3.852 3.787 233 HA ARG 31 HA ARG 31 -1.215 -0.985 4.407 234 1HB ARG 31 2HB ARG 31 -0.091 -2.179 6.307 235 2HB ARG 31 1HB ARG 31 1.277 -2.498 5.242 236 1HG ARG 31 2HG ARG 31 1.063 0.147 4.847 237 2HG ARG 31 1HG ARG 31 0.395 0.063 6.476 238 1HD ARG 31 2HD ARG 31 2.582 -1.556 6.749 239 2HD ARG 31 1HD ARG 31 3.178 -0.373 5.567 240 HE ARG 31 HE ARG 31 2.686 1.404 7.160 241 1HH1 ARG 31 1HH1 ARG 31 0.394 -0.152 8.489 242 2HH1 ARG 31 2HH1 ARG 31 1.066 -0.435 10.060 243 1HH2 ARG 31 1HH2 ARG 31 4.311 0.331 9.101 244 2HH2 ARG 31 2HH2 ARG 31 3.286 -0.165 10.406 245 H CYS 32 H CYS 32 -0.087 0.508 3.127 246 HA CYS 32 HA CYS 32 0.852 -0.399 0.544 247 1HB CYS 32 2HB CYS 32 1.238 2.290 1.884 248 2HB CYS 32 1HB CYS 32 1.122 1.962 0.152 249 H ARG 33 H ARG 33 2.980 -0.844 -0.093 250 HA ARG 33 HA ARG 33 5.239 0.177 1.554 251 1HB ARG 33 2HB ARG 33 4.950 -2.796 1.034 252 2HB ARG 33 1HB ARG 33 6.005 -1.989 2.193 253 1HG ARG 33 2HG ARG 33 3.996 -1.242 3.461 254 2HG ARG 33 1HG ARG 33 2.980 -2.136 2.331 255 1HD ARG 33 2HD ARG 33 4.640 -4.131 2.991 256 2HD ARG 33 1HD ARG 33 4.781 -3.171 4.477 257 HE ARG 33 HE ARG 33 2.022 -3.302 3.758 258 1HH1 ARG 33 1HH1 ARG 33 4.365 -5.738 4.107 259 2HH1 ARG 33 2HH1 ARG 33 3.460 -6.662 5.258 260 1HH2 ARG 33 1HH2 ARG 33 0.938 -4.301 5.566 261 2HH2 ARG 33 2HH2 ARG 33 1.519 -5.847 6.085 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -10.033 13.206 -6.515 2 2H GLY 1 2HT GLY 1 -9.881 12.609 -4.933 3 3H GLY 1 3HT GLY 1 -9.914 11.536 -6.249 4 1HA GLY 1 2HA GLY 1 -7.750 11.768 -6.671 5 2HA GLY 1 1HA GLY 1 -7.836 13.516 -6.448 6 H ASP 2 H ASP 2 -6.880 10.568 -5.019 7 HA ASP 2 HA ASP 2 -5.472 11.777 -2.865 8 1HB ASP 2 2HB ASP 2 -8.299 11.677 -2.550 9 2HB ASP 2 1HB ASP 2 -7.615 10.497 -1.430 10 H CYS 3 H CYS 3 -3.904 10.212 -2.722 11 HA CYS 3 HA CYS 3 -4.769 7.337 -2.705 12 1HB CYS 3 2HB CYS 3 -2.630 6.875 -3.746 13 2HB CYS 3 1HB CYS 3 -3.376 8.204 -4.632 14 H LEU 4 H LEU 4 -3.105 5.942 -1.481 15 HA LEU 4 HA LEU 4 -2.442 7.299 1.088 16 1HB LEU 4 2HB LEU 4 -2.597 4.366 0.308 17 2HB LEU 4 1HB LEU 4 -2.391 4.985 1.946 18 HG LEU 4 HG LEU 4 -4.686 6.122 0.477 19 1HD1 LEU 4 1HD1 LEU 4 -5.298 4.066 -0.334 20 2HD1 LEU 4 2HD1 LEU 4 -5.896 3.857 1.311 21 3HD1 LEU 4 3HD1 LEU 4 -4.327 3.195 0.852 22 1HD2 LEU 4 1HD2 LEU 4 -3.832 5.444 3.197 23 2HD2 LEU 4 2HD2 LEU 4 -5.512 5.011 2.886 24 3HD2 LEU 4 3HD2 LEU 4 -4.975 6.675 2.657 25 HA PRO 5 HA PRO 5 1.850 7.224 0.208 26 1HB PRO 5 2HB PRO 5 2.871 6.727 2.698 27 2HB PRO 5 1HB PRO 5 2.143 8.287 2.250 28 1HG PRO 5 2HG PRO 5 0.916 5.974 3.688 29 2HG PRO 5 1HG PRO 5 0.836 7.700 4.079 30 1HD PRO 5 2HD PRO 5 -1.186 6.456 2.860 31 2HD PRO 5 1HD PRO 5 -0.745 8.130 2.443 32 H HIS 6 H HIS 6 3.874 5.759 0.760 33 HA HIS 6 HA HIS 6 3.145 3.027 0.158 34 1HB HIS 6 2HB HIS 6 4.847 4.040 -1.187 35 2HB HIS 6 1HB HIS 6 5.697 4.627 0.241 36 HD1 HIS 6 1HD HIS 6 7.881 3.368 -0.051 37 HD2 HIS 6 2HD HIS 6 4.559 0.853 -0.188 38 HE1 HIS 6 1HE HIS 6 8.773 0.998 -0.012 39 H LEU 7 H LEU 7 2.582 3.986 2.820 40 HA LEU 7 HA LEU 7 3.839 1.896 4.335 41 1HB LEU 7 2HB LEU 7 4.702 4.706 4.421 42 2HB LEU 7 1HB LEU 7 4.424 3.990 6.008 43 HG LEU 7 HG LEU 7 6.291 2.991 3.846 44 1HD1 LEU 7 1HD1 LEU 7 6.548 4.573 6.270 45 2HD1 LEU 7 2HD1 LEU 7 7.744 4.257 5.013 46 3HD1 LEU 7 3HD1 LEU 7 7.543 3.119 6.345 47 1HD2 LEU 7 1HD2 LEU 7 6.599 1.453 6.183 48 2HD2 LEU 7 2HD2 LEU 7 5.925 0.910 4.646 49 3HD2 LEU 7 3HD2 LEU 7 4.858 1.528 5.906 50 H LYS 8 H LYS 8 1.102 3.333 3.622 51 HA LYS 8 HA LYS 8 0.053 3.400 6.431 52 1HB LYS 8 2HB LYS 8 -0.514 4.878 3.900 53 2HB LYS 8 1HB LYS 8 -1.883 4.559 4.961 54 1HG LYS 8 2HG LYS 8 -0.267 5.435 6.844 55 2HG LYS 8 1HG LYS 8 0.574 6.201 5.497 56 1HD LYS 8 2HD LYS 8 -0.930 7.876 5.727 57 2HD LYS 8 1HD LYS 8 -2.076 6.776 4.960 58 1HE LYS 8 2HE LYS 8 -3.271 7.155 6.897 59 2HE LYS 8 1HE LYS 8 -2.203 5.891 7.538 60 1HZ LYS 8 1HZ LYS 8 -0.714 7.471 8.372 61 2HZ LYS 8 2HZ LYS 8 -2.241 8.088 8.787 62 3HZ LYS 8 3HZ LYS 8 -1.390 8.736 7.468 63 H ARG 9 H ARG 9 -2.456 2.748 6.327 64 HA ARG 9 HA ARG 9 -2.498 0.014 5.317 65 1HB ARG 9 2HB ARG 9 -3.546 0.582 7.431 66 2HB ARG 9 1HB ARG 9 -4.537 1.819 6.656 67 1HG ARG 9 2HG ARG 9 -6.027 0.300 5.838 68 2HG ARG 9 1HG ARG 9 -4.771 -0.887 5.485 69 1HD ARG 9 2HD ARG 9 -5.183 -0.391 8.371 70 2HD ARG 9 1HD ARG 9 -6.559 -1.147 7.543 71 HE ARG 9 HE ARG 9 -3.935 -2.289 6.863 72 1HH1 ARG 9 1HH2 ARG 9 -7.093 -2.995 7.579 73 2HH1 ARG 9 2HH2 ARG 9 -6.767 -4.387 8.556 74 1HH2 ARG 9 1HH1 ARG 9 -3.348 -3.832 8.677 75 2HH2 ARG 9 2HH1 ARG 9 -4.649 -4.861 9.178 76 H CYS 10 H CYS 10 -4.075 -0.794 3.753 77 HA CYS 10 HA CYS 10 -5.305 1.281 1.996 78 1HB CYS 10 2HB CYS 10 -4.351 -0.482 0.149 79 2HB CYS 10 1HB CYS 10 -3.497 0.973 0.639 80 H LYS 11 H LYS 11 -7.329 0.708 1.380 81 HA LYS 11 HA LYS 11 -8.409 -1.916 2.165 82 1HB LYS 11 2HB LYS 11 -9.387 0.726 1.136 83 2HB LYS 11 1HB LYS 11 -10.442 -0.676 0.956 84 1HG LYS 11 2HG LYS 11 -11.093 0.006 3.064 85 2HG LYS 11 1HG LYS 11 -9.754 -1.054 3.508 86 1HD LYS 11 2HD LYS 11 -8.792 1.609 2.867 87 2HD LYS 11 1HD LYS 11 -10.011 1.670 4.140 88 1HE LYS 11 2HE LYS 11 -7.569 -0.144 4.156 89 2HE LYS 11 1HE LYS 11 -7.751 1.342 5.109 90 1HZ LYS 11 1HZ LYS 11 -8.550 -0.251 6.556 91 2HZ LYS 11 2HZ LYS 11 -9.243 -1.190 5.321 92 3HZ LYS 11 3HZ LYS 11 -9.981 0.263 5.802 93 H ALA 12 H ALA 12 -7.027 -0.444 -0.616 94 HA ALA 12 HA ALA 12 -7.786 -2.811 -2.270 95 1HB ALA 12 1HB ALA 12 -9.222 -0.669 -2.571 96 2HB ALA 12 2HB ALA 12 -8.556 -1.413 -4.026 97 3HB ALA 12 3HB ALA 12 -7.787 0.015 -3.335 98 H ASP 13 H ASP 13 -6.222 -3.235 -3.967 99 HA ASP 13 HA ASP 13 -3.515 -2.899 -3.343 100 1HB ASP 13 2HB ASP 13 -4.902 -3.265 -6.011 101 2HB ASP 13 1HB ASP 13 -3.199 -3.622 -5.704 102 H ASN 14 H ASN 14 -5.665 -0.764 -5.152 103 HA ASN 14 HA ASN 14 -3.445 0.945 -6.079 104 1HB ASN 14 2HB ASN 14 -5.837 0.269 -7.105 105 2HB ASN 14 1HB ASN 14 -6.309 1.750 -6.269 106 1HD2 ASN 14 1HD2 ASN 14 -4.358 3.542 -6.637 107 2HD2 ASN 14 2HD2 ASN 14 -3.955 3.748 -8.273 108 H ASP 15 H ASP 15 -5.635 0.828 -3.365 109 HA ASP 15 HA ASP 15 -6.070 3.402 -2.552 110 1HB ASP 15 2HB ASP 15 -5.834 0.868 -1.412 111 2HB ASP 15 1HB ASP 15 -4.932 1.946 -0.358 112 H CYS 16 H CYS 16 -2.955 1.728 -2.374 113 HA CYS 16 HA CYS 16 -1.525 3.972 -1.119 114 1HB CYS 16 2HB CYS 16 -0.561 1.513 -2.637 115 2HB CYS 16 1HB CYS 16 0.386 2.484 -1.504 116 H CYS 17 H CYS 17 0.043 5.301 -2.250 117 HA CYS 17 HA CYS 17 -0.593 5.890 -5.042 118 1HB CYS 17 2HB CYS 17 0.691 7.107 -2.810 119 2HB CYS 17 1HB CYS 17 1.806 7.078 -4.171 120 H GLY 18 H GLY 18 1.336 3.619 -3.423 121 1HA GLY 18 2HA GLY 18 3.384 3.513 -5.563 122 2HA GLY 18 1HA GLY 18 3.342 2.499 -4.115 123 H LYS 19 H LYS 19 0.251 2.466 -5.047 124 HA LYS 19 HA LYS 19 -1.098 0.858 -6.108 125 1HB LYS 19 2HB LYS 19 1.285 1.176 -7.949 126 2HB LYS 19 1HB LYS 19 -0.073 0.132 -8.367 127 1HG LYS 19 2HG LYS 19 -1.268 1.914 -9.036 128 2HG LYS 19 1HG LYS 19 -1.099 2.644 -7.439 129 1HD LYS 19 2HD LYS 19 0.063 4.249 -8.562 130 2HD LYS 19 1HD LYS 19 1.388 3.088 -8.467 131 1HE LYS 19 2HE LYS 19 -0.523 2.739 -10.731 132 2HE LYS 19 1HE LYS 19 0.591 4.118 -10.820 133 1HZ LYS 19 1HZ LYS 19 2.327 2.417 -10.031 134 2HZ LYS 19 2HZ LYS 19 1.853 2.380 -11.662 135 3HZ LYS 19 3HZ LYS 19 1.225 1.245 -10.565 136 H LYS 20 H LYS 20 1.280 0.161 -4.258 137 HA LYS 20 HA LYS 20 1.280 -2.767 -4.870 138 1HB LYS 20 2HB LYS 20 3.462 -0.797 -4.392 139 2HB LYS 20 1HB LYS 20 3.658 -2.378 -3.635 140 1HG LYS 20 2HG LYS 20 2.855 -2.183 -6.526 141 2HG LYS 20 1HG LYS 20 4.552 -2.027 -6.067 142 1HD LYS 20 2HD LYS 20 4.625 -4.285 -6.092 143 2HD LYS 20 1HD LYS 20 3.681 -4.224 -4.603 144 1HE LYS 20 2HE LYS 20 2.343 -5.598 -5.965 145 2HE LYS 20 1HE LYS 20 1.634 -3.999 -6.269 146 1HZ LYS 20 1HZ LYS 20 2.112 -4.506 -8.403 147 2HZ LYS 20 2HZ LYS 20 3.310 -5.636 -7.993 148 3HZ LYS 20 3HZ LYS 20 3.667 -3.974 -7.984 149 H CYS 21 H CYS 21 -0.651 -2.315 -3.248 150 HA CYS 21 HA CYS 21 0.117 -1.793 -0.480 151 1HB CYS 21 2HB CYS 21 -2.099 -1.216 -1.307 152 2HB CYS 21 1HB CYS 21 -2.368 -2.866 -1.876 153 H LYS 22 H LYS 22 -0.026 -3.635 1.221 154 HA LYS 22 HA LYS 22 0.271 -6.337 -0.043 155 1HB LYS 22 2HB LYS 22 2.327 -4.666 0.877 156 2HB LYS 22 1HB LYS 22 2.150 -5.910 2.115 157 1HG LYS 22 2HG LYS 22 2.011 -7.498 -0.024 158 2HG LYS 22 1HG LYS 22 2.938 -6.186 -0.752 159 1HD LYS 22 2HD LYS 22 4.237 -6.467 1.633 160 2HD LYS 22 1HD LYS 22 3.745 -8.134 1.320 161 1HE LYS 22 2HE LYS 22 4.654 -7.670 -1.103 162 2HE LYS 22 1HE LYS 22 5.553 -6.363 -0.310 163 1HZ LYS 22 1HZ LYS 22 6.043 -9.145 -0.206 164 2HZ LYS 22 2HZ LYS 22 5.700 -8.581 1.360 165 3HZ LYS 22 3HZ LYS 22 6.959 -7.883 0.459 166 H ARG 23 H ARG 23 -1.233 -7.593 0.919 167 HA ARG 23 HA ARG 23 -2.283 -7.237 3.601 168 1HB ARG 23 2HB ARG 23 -3.820 -8.110 2.091 169 2HB ARG 23 1HB ARG 23 -2.601 -9.074 1.264 170 1HG ARG 23 2HG ARG 23 -2.522 -10.651 3.109 171 2HG ARG 23 1HG ARG 23 -3.603 -9.639 4.069 172 1HD ARG 23 2HD ARG 23 -4.469 -10.636 1.359 173 2HD ARG 23 1HD ARG 23 -4.650 -11.654 2.800 174 HE ARG 23 HE ARG 23 -5.816 -8.903 2.578 175 1HH1 ARG 23 1HH1 ARG 23 -7.410 -11.524 2.212 176 2HH1 ARG 23 2HH1 ARG 23 -8.158 -11.654 3.769 177 1HH2 ARG 23 1HH2 ARG 23 -6.066 -9.329 5.260 178 2HH2 ARG 23 2HH2 ARG 23 -7.397 -10.412 5.494 179 H ARG 24 H ARG 24 -2.158 -9.169 5.161 180 HA ARG 24 HA ARG 24 0.631 -10.037 5.446 181 1HB ARG 24 2HB ARG 24 -0.716 -9.409 7.392 182 2HB ARG 24 1HB ARG 24 -1.934 -10.613 6.973 183 1HG ARG 24 2HG ARG 24 -0.200 -11.227 8.807 184 2HG ARG 24 1HG ARG 24 -0.525 -12.417 7.550 185 1HD ARG 24 2HD ARG 24 1.475 -11.512 6.284 186 2HD ARG 24 1HD ARG 24 1.849 -10.531 7.714 187 HE ARG 24 HE ARG 24 1.692 -12.852 8.943 188 1HH1 ARG 24 1HH1 ARG 24 1.692 -13.599 5.774 189 2HH1 ARG 24 2HH1 ARG 24 3.238 -14.378 5.724 190 1HH2 ARG 24 1HH2 ARG 24 4.187 -13.286 8.875 191 2HH2 ARG 24 2HH2 ARG 24 4.651 -14.200 7.480 192 H GLY 25 H GLY 25 -0.176 -11.018 3.041 193 1HA GLY 25 2HA GLY 25 0.117 -13.863 3.336 194 2HA GLY 25 1HA GLY 25 -1.549 -13.464 2.917 195 H THR 26 H THR 26 -1.253 -11.365 1.138 196 HA THR 26 HA THR 26 0.800 -11.733 -0.840 197 HB THR 26 HB THR 26 -0.196 -13.932 -1.046 198 HG1 THR 26 1HG THR 26 -0.913 -13.781 -3.219 199 1HG2 THR 26 1HG2 THR 26 -2.336 -13.721 -0.090 200 2HG2 THR 26 2HG2 THR 26 -2.678 -13.976 -1.801 201 3HG2 THR 26 3HG2 THR 26 -2.758 -12.351 -1.118 202 H ASN 27 H ASN 27 -0.157 -9.352 -0.011 203 HA ASN 27 HA ASN 27 -1.113 -7.324 -0.791 204 1HB ASN 27 2HB ASN 27 0.248 -8.012 -2.717 205 2HB ASN 27 1HB ASN 27 -1.108 -8.953 -3.334 206 1HD2 ASN 27 1HD2 ASN 27 -2.113 -6.045 -1.773 207 2HD2 ASN 27 2HD2 ASN 27 -2.368 -5.124 -3.174 208 H ALA 28 H ALA 28 -3.173 -6.798 -0.193 209 HA ALA 28 HA ALA 28 -5.461 -7.518 -1.759 210 1HB ALA 28 1HB ALA 28 -6.511 -9.097 -0.190 211 2HB ALA 28 2HB ALA 28 -5.109 -8.984 0.870 212 3HB ALA 28 3HB ALA 28 -4.950 -9.720 -0.723 213 H GLU 29 H GLU 29 -4.216 -6.505 1.404 214 HA GLU 29 HA GLU 29 -5.534 -4.039 1.536 215 1HB GLU 29 2HB GLU 29 -7.658 -5.085 1.320 216 2HB GLU 29 1HB GLU 29 -7.234 -6.363 2.458 217 1HG GLU 29 2HG GLU 29 -6.962 -3.767 3.706 218 2HG GLU 29 1HG GLU 29 -8.577 -3.949 3.020 219 H LYS 30 H LYS 30 -3.241 -4.221 2.642 220 HA LYS 30 HA LYS 30 -3.753 -4.423 5.565 221 1HB LYS 30 2HB LYS 30 -1.753 -5.779 3.942 222 2HB LYS 30 1HB LYS 30 -1.166 -5.081 5.442 223 1HG LYS 30 2HG LYS 30 -3.399 -7.100 5.119 224 2HG LYS 30 1HG LYS 30 -1.861 -7.333 5.951 225 1HD LYS 30 2HD LYS 30 -2.853 -5.124 7.241 226 2HD LYS 30 1HD LYS 30 -4.330 -6.024 6.892 227 1HE LYS 30 2HE LYS 30 -3.860 -7.446 8.588 228 2HE LYS 30 1HE LYS 30 -2.330 -7.881 7.800 229 1HZ LYS 30 1HZ LYS 30 -1.341 -5.859 8.705 230 2HZ LYS 30 2HZ LYS 30 -1.914 -6.862 9.951 231 3HZ LYS 30 3HZ LYS 30 -2.795 -5.482 9.493 232 H ARG 31 H ARG 31 -0.686 -3.759 4.034 233 HA ARG 31 HA ARG 31 -1.011 -0.835 4.580 234 1HB ARG 31 2HB ARG 31 0.682 -2.830 5.911 235 2HB ARG 31 1HB ARG 31 1.603 -1.453 5.305 236 1HG ARG 31 2HG ARG 31 -0.714 -0.346 6.450 237 2HG ARG 31 1HG ARG 31 -0.182 -1.588 7.584 238 1HD ARG 31 2HD ARG 31 2.118 -0.131 6.615 239 2HD ARG 31 1HD ARG 31 0.921 0.998 7.280 240 HE ARG 31 HE ARG 31 2.151 -1.272 8.768 241 1HH1 ARG 31 1HH1 ARG 31 -0.810 0.065 8.986 242 2HH1 ARG 31 2HH1 ARG 31 -0.595 0.842 10.519 243 1HH2 ARG 31 1HH2 ARG 31 2.836 0.337 10.589 244 2HH2 ARG 31 2HH2 ARG 31 1.471 0.997 11.427 245 H CYS 32 H CYS 32 0.441 0.471 3.281 246 HA CYS 32 HA CYS 32 1.018 -0.628 0.656 247 1HB CYS 32 2HB CYS 32 1.930 1.972 1.926 248 2HB CYS 32 1HB CYS 32 1.746 1.644 0.200 249 H ARG 33 H ARG 33 2.780 -1.957 0.324 250 HA ARG 33 HA ARG 33 5.326 -1.248 1.756 251 1HB ARG 33 2HB ARG 33 4.621 -4.042 0.877 252 2HB ARG 33 1HB ARG 33 5.693 -3.532 2.178 253 1HG ARG 33 2HG ARG 33 2.680 -3.195 2.187 254 2HG ARG 33 1HG ARG 33 3.551 -4.474 3.030 255 1HD ARG 33 2HD ARG 33 4.894 -2.451 4.092 256 2HD ARG 33 1HD ARG 33 3.436 -1.539 3.657 257 HE ARG 33 HE ARG 33 2.166 -3.426 4.876 258 1HH1 ARG 33 1HH1 ARG 33 4.444 -1.446 6.187 259 2HH1 ARG 33 2HH1 ARG 33 4.820 -2.435 7.558 260 1HH2 ARG 33 1HH2 ARG 33 3.061 -5.187 6.387 261 2HH2 ARG 33 2HH2 ARG 33 4.035 -4.554 7.671 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -1.516 14.826 -7.012 2 2H GLY 1 2HT GLY 1 -0.223 13.743 -7.215 3 3H GLY 1 3HT GLY 1 -0.977 13.896 -5.700 4 1HA GLY 1 2HA GLY 1 -2.813 13.214 -7.799 5 2HA GLY 1 1HA GLY 1 -1.551 12.005 -7.550 6 H ASP 2 H ASP 2 -4.558 12.269 -6.777 7 HA ASP 2 HA ASP 2 -4.591 12.200 -3.869 8 1HB ASP 2 2HB ASP 2 -6.620 11.110 -5.839 9 2HB ASP 2 1HB ASP 2 -6.925 11.717 -4.212 10 H CYS 3 H CYS 3 -3.536 10.525 -2.849 11 HA CYS 3 HA CYS 3 -4.330 7.749 -3.495 12 1HB CYS 3 2HB CYS 3 -2.077 7.038 -3.977 13 2HB CYS 3 1HB CYS 3 -2.389 8.456 -4.978 14 H LEU 4 H LEU 4 -2.011 6.707 -2.035 15 HA LEU 4 HA LEU 4 -2.424 7.852 0.695 16 1HB LEU 4 2HB LEU 4 -2.321 4.884 0.118 17 2HB LEU 4 1HB LEU 4 -2.896 5.685 1.570 18 HG LEU 4 HG LEU 4 -4.254 6.138 -1.082 19 1HD1 LEU 4 1HD1 LEU 4 -5.483 4.209 -0.910 20 2HD1 LEU 4 2HD1 LEU 4 -5.395 4.188 0.851 21 3HD1 LEU 4 3HD1 LEU 4 -4.022 3.634 -0.107 22 1HD2 LEU 4 1HD2 LEU 4 -4.669 7.617 0.936 23 2HD2 LEU 4 2HD2 LEU 4 -5.312 6.193 1.754 24 3HD2 LEU 4 3HD2 LEU 4 -6.103 6.809 0.303 25 HA PRO 5 HA PRO 5 1.925 7.523 1.197 26 1HB PRO 5 2HB PRO 5 2.159 6.416 3.694 27 2HB PRO 5 1HB PRO 5 1.617 8.090 3.430 28 1HG PRO 5 2HG PRO 5 -0.039 5.621 3.796 29 2HG PRO 5 1HG PRO 5 -0.172 7.175 4.641 30 1HD PRO 5 2HD PRO 5 -1.803 6.626 2.657 31 2HD PRO 5 1HD PRO 5 -1.070 8.244 2.759 32 H HIS 6 H HIS 6 3.725 5.920 1.450 33 HA HIS 6 HA HIS 6 2.969 3.318 0.435 34 1HB HIS 6 2HB HIS 6 4.711 4.445 -0.738 35 2HB HIS 6 1HB HIS 6 5.528 4.868 0.763 36 HD1 HIS 6 1HD HIS 6 7.718 3.638 0.480 37 HD2 HIS 6 2HD HIS 6 4.425 1.178 -0.221 38 HE1 HIS 6 1HE HIS 6 8.621 1.285 0.246 39 H LEU 7 H LEU 7 2.413 3.928 3.241 40 HA LEU 7 HA LEU 7 3.588 1.580 4.408 41 1HB LEU 7 2HB LEU 7 4.650 4.268 4.819 42 2HB LEU 7 1HB LEU 7 4.286 3.439 6.334 43 HG LEU 7 HG LEU 7 6.062 2.442 4.094 44 1HD1 LEU 7 1HD1 LEU 7 6.695 2.896 7.015 45 2HD1 LEU 7 2HD1 LEU 7 6.921 4.145 5.790 46 3HD1 LEU 7 3HD1 LEU 7 7.829 2.636 5.690 47 1HD2 LEU 7 1HD2 LEU 7 4.787 1.069 6.437 48 2HD2 LEU 7 2HD2 LEU 7 6.411 0.585 5.948 49 3HD2 LEU 7 3HD2 LEU 7 5.071 0.458 4.807 50 H LYS 8 H LYS 8 0.892 3.200 4.009 51 HA LYS 8 HA LYS 8 -0.041 2.901 6.849 52 1HB LYS 8 2HB LYS 8 -0.087 5.174 5.715 53 2HB LYS 8 1HB LYS 8 -1.275 4.507 4.595 54 1HG LYS 8 2HG LYS 8 -2.939 4.682 6.108 55 2HG LYS 8 1HG LYS 8 -1.960 3.941 7.374 56 1HD LYS 8 2HD LYS 8 -1.232 5.958 8.182 57 2HD LYS 8 1HD LYS 8 -1.206 6.704 6.584 58 1HE LYS 8 2HE LYS 8 -3.748 6.063 8.128 59 2HE LYS 8 1HE LYS 8 -3.000 7.670 8.035 60 1HZ LYS 8 1HZ LYS 8 -4.286 7.827 6.196 61 2HZ LYS 8 2HZ LYS 8 -4.378 6.146 5.968 62 3HZ LYS 8 3HZ LYS 8 -2.994 6.999 5.473 63 H ARG 9 H ARG 9 -2.084 1.813 7.169 64 HA ARG 9 HA ARG 9 -2.631 -0.464 5.610 65 1HB ARG 9 2HB ARG 9 -3.459 0.169 7.934 66 2HB ARG 9 1HB ARG 9 -4.659 1.193 7.144 67 1HG ARG 9 2HG ARG 9 -5.959 -0.667 7.134 68 2HG ARG 9 1HG ARG 9 -4.950 -1.180 5.781 69 1HD ARG 9 2HD ARG 9 -3.351 -2.104 7.640 70 2HD ARG 9 1HD ARG 9 -4.792 -2.015 8.671 71 HE ARG 9 HE ARG 9 -5.523 -3.211 6.183 72 1HH1 ARG 9 1HH2 ARG 9 -2.789 -4.420 7.164 73 2HH1 ARG 9 2HH2 ARG 9 -3.375 -5.863 7.924 74 1HH2 ARG 9 1HH1 ARG 9 -6.679 -4.812 7.973 75 2HH2 ARG 9 2HH1 ARG 9 -5.577 -6.084 8.382 76 H CYS 10 H CYS 10 -3.975 -0.832 3.811 77 HA CYS 10 HA CYS 10 -5.145 1.633 2.549 78 1HB CYS 10 2HB CYS 10 -4.437 0.708 0.428 79 2HB CYS 10 1HB CYS 10 -3.059 0.642 1.526 80 H LYS 11 H LYS 11 -7.141 1.341 1.427 81 HA LYS 11 HA LYS 11 -8.855 -0.778 2.493 82 1HB LYS 11 2HB LYS 11 -9.087 1.827 1.413 83 2HB LYS 11 1HB LYS 11 -9.968 0.768 0.312 84 1HG LYS 11 2HG LYS 11 -11.578 1.352 1.941 85 2HG LYS 11 1HG LYS 11 -11.027 -0.248 2.439 86 1HD LYS 11 2HD LYS 11 -9.218 1.306 3.740 87 2HD LYS 11 1HD LYS 11 -10.618 2.379 3.747 88 1HE LYS 11 2HE LYS 11 -11.482 1.172 5.458 89 2HE LYS 11 1HE LYS 11 -11.563 -0.239 4.384 90 1HZ LYS 11 1HZ LYS 11 -8.948 0.539 5.440 91 2HZ LYS 11 2HZ LYS 11 -9.548 -1.006 5.069 92 3HZ LYS 11 3HZ LYS 11 -10.021 -0.231 6.503 93 H ALA 12 H ALA 12 -6.875 -0.323 -0.301 94 HA ALA 12 HA ALA 12 -7.653 -2.955 -1.343 95 1HB ALA 12 1HB ALA 12 -7.855 -0.952 -3.463 96 2HB ALA 12 2HB ALA 12 -9.035 -0.682 -2.180 97 3HB ALA 12 3HB ALA 12 -8.989 -2.230 -3.024 98 H ASP 13 H ASP 13 -6.194 -3.642 -3.081 99 HA ASP 13 HA ASP 13 -3.487 -3.048 -2.682 100 1HB ASP 13 2HB ASP 13 -4.780 -3.960 -5.267 101 2HB ASP 13 1HB ASP 13 -3.162 -4.361 -4.681 102 H ASN 14 H ASN 14 -5.718 -1.700 -5.127 103 HA ASN 14 HA ASN 14 -3.609 0.109 -6.141 104 1HB ASN 14 2HB ASN 14 -5.464 0.712 -7.733 105 2HB ASN 14 1HB ASN 14 -5.087 -1.011 -7.705 106 1HD2 ASN 14 1HD2 ASN 14 -7.084 -2.039 -7.988 107 2HD2 ASN 14 2HD2 ASN 14 -8.473 -1.709 -7.071 108 H ASP 15 H ASP 15 -4.159 0.725 -3.461 109 HA ASP 15 HA ASP 15 -5.813 3.207 -3.672 110 1HB ASP 15 2HB ASP 15 -5.908 1.002 -1.965 111 2HB ASP 15 1HB ASP 15 -5.334 2.333 -0.982 112 H CYS 16 H CYS 16 -2.755 1.816 -2.809 113 HA CYS 16 HA CYS 16 -1.673 4.138 -1.380 114 1HB CYS 16 2HB CYS 16 -0.386 1.734 -2.730 115 2HB CYS 16 1HB CYS 16 0.362 2.760 -1.499 116 H CYS 17 H CYS 17 0.381 5.192 -2.330 117 HA CYS 17 HA CYS 17 -0.166 6.193 -5.021 118 1HB CYS 17 2HB CYS 17 1.286 6.937 -2.697 119 2HB CYS 17 1HB CYS 17 2.398 6.875 -4.062 120 H GLY 18 H GLY 18 1.521 3.537 -3.692 121 1HA GLY 18 2HA GLY 18 3.355 3.343 -6.024 122 2HA GLY 18 1HA GLY 18 3.386 2.296 -4.600 123 H LYS 19 H LYS 19 0.251 2.415 -5.036 124 HA LYS 19 HA LYS 19 -1.353 1.027 -6.061 125 1HB LYS 19 2HB LYS 19 0.189 2.038 -8.041 126 2HB LYS 19 1HB LYS 19 0.548 0.322 -8.244 127 1HG LYS 19 2HG LYS 19 -1.681 -0.225 -8.712 128 2HG LYS 19 1HG LYS 19 -2.302 1.234 -7.938 129 1HD LYS 19 2HD LYS 19 -2.215 2.367 -9.881 130 2HD LYS 19 1HD LYS 19 -0.515 1.944 -10.095 131 1HE LYS 19 2HE LYS 19 -1.366 -0.371 -10.867 132 2HE LYS 19 1HE LYS 19 -2.951 0.412 -11.021 133 1HZ LYS 19 1HZ LYS 19 -1.922 2.138 -12.371 134 2HZ LYS 19 2HZ LYS 19 -1.697 0.610 -13.079 135 3HZ LYS 19 3HZ LYS 19 -0.418 1.363 -12.253 136 H LYS 20 H LYS 20 1.292 0.068 -4.565 137 HA LYS 20 HA LYS 20 0.775 -2.842 -5.042 138 1HB LYS 20 2HB LYS 20 2.988 -1.633 -5.861 139 2HB LYS 20 1HB LYS 20 3.437 -1.766 -4.161 140 1HG LYS 20 2HG LYS 20 2.293 -4.252 -5.137 141 2HG LYS 20 1HG LYS 20 3.684 -3.766 -6.108 142 1HD LYS 20 2HD LYS 20 4.056 -3.421 -3.203 143 2HD LYS 20 1HD LYS 20 3.860 -5.098 -3.718 144 1HE LYS 20 2HE LYS 20 5.615 -4.595 -5.526 145 2HE LYS 20 1HE LYS 20 5.957 -3.108 -4.620 146 1HZ LYS 20 1HZ LYS 20 7.346 -4.639 -3.606 147 2HZ LYS 20 2HZ LYS 20 6.230 -5.912 -3.746 148 3HZ LYS 20 3HZ LYS 20 5.982 -4.684 -2.599 149 H CYS 21 H CYS 21 -0.786 -2.257 -3.157 150 HA CYS 21 HA CYS 21 0.439 -1.663 -0.573 151 1HB CYS 21 2HB CYS 21 -1.898 -1.047 -1.289 152 2HB CYS 21 1HB CYS 21 -2.309 -2.763 -1.270 153 H LYS 22 H LYS 22 0.969 -3.220 1.027 154 HA LYS 22 HA LYS 22 1.329 -5.975 0.120 155 1HB LYS 22 2HB LYS 22 2.172 -4.200 2.286 156 2HB LYS 22 1HB LYS 22 1.843 -5.839 2.852 157 1HG LYS 22 2HG LYS 22 3.454 -5.430 0.349 158 2HG LYS 22 1HG LYS 22 4.231 -5.256 1.922 159 1HD LYS 22 2HD LYS 22 4.222 -7.490 2.283 160 2HD LYS 22 1HD LYS 22 2.541 -7.640 1.769 161 1HE LYS 22 2HE LYS 22 3.383 -8.707 -0.064 162 2HE LYS 22 1HE LYS 22 3.879 -7.093 -0.610 163 1HZ LYS 22 1HZ LYS 22 5.988 -7.341 0.270 164 2HZ LYS 22 2HZ LYS 22 5.677 -8.902 -0.322 165 3HZ LYS 22 3HZ LYS 22 5.524 -8.575 1.337 166 H ARG 23 H ARG 23 0.543 -7.792 1.542 167 HA ARG 23 HA ARG 23 -1.991 -7.340 2.983 168 1HB ARG 23 2HB ARG 23 -3.304 -8.535 1.475 169 2HB ARG 23 1HB ARG 23 -2.217 -7.673 0.394 170 1HG ARG 23 2HG ARG 23 -1.677 -10.485 1.391 171 2HG ARG 23 1HG ARG 23 -2.514 -10.145 -0.116 172 1HD ARG 23 2HD ARG 23 0.326 -9.325 0.595 173 2HD ARG 23 1HD ARG 23 -0.166 -10.499 -0.637 174 HE ARG 23 HE ARG 23 -1.527 -8.078 -1.209 175 1HH1 ARG 23 1HH2 ARG 23 1.453 -9.728 -1.528 176 2HH1 ARG 23 2HH2 ARG 23 2.175 -8.526 -2.546 177 1HH2 ARG 23 1HH1 ARG 23 -0.514 -6.346 -2.329 178 2HH2 ARG 23 2HH1 ARG 23 1.061 -6.612 -3.000 179 H ARG 24 H ARG 24 -2.774 -9.682 3.753 180 HA ARG 24 HA ARG 24 -0.337 -11.067 4.795 181 1HB ARG 24 2HB ARG 24 -2.036 -10.115 6.362 182 2HB ARG 24 1HB ARG 24 -3.245 -11.190 5.661 183 1HG ARG 24 2HG ARG 24 -2.170 -12.051 7.790 184 2HG ARG 24 1HG ARG 24 -2.059 -13.146 6.411 185 1HD ARG 24 2HD ARG 24 0.234 -12.403 5.959 186 2HD ARG 24 1HD ARG 24 0.131 -11.224 7.281 187 HE ARG 24 HE ARG 24 0.087 -14.189 7.636 188 1HH1 ARG 24 1HH2 ARG 24 2.360 -12.567 8.689 189 2HH1 ARG 24 2HH2 ARG 24 1.915 -12.340 10.349 190 1HH2 ARG 24 1HH1 ARG 24 -1.404 -13.213 9.856 191 2HH2 ARG 24 2HH1 ARG 24 -0.216 -12.705 11.008 192 H GLY 25 H GLY 25 -0.504 -11.872 2.314 193 1HA GLY 25 2HA GLY 25 -0.484 -14.074 1.317 194 2HA GLY 25 1HA GLY 25 -1.735 -14.572 2.460 195 H THR 26 H THR 26 -1.732 -14.721 -0.537 196 HA THR 26 HA THR 26 -3.115 -14.116 -2.364 197 HB THR 26 HB THR 26 -4.866 -15.386 -1.660 198 HG1 THR 26 1HG THR 26 -6.664 -14.192 -1.131 199 1HG2 THR 26 1HG2 THR 26 -3.779 -15.508 0.635 200 2HG2 THR 26 2HG2 THR 26 -5.534 -15.683 0.624 201 3HG2 THR 26 3HG2 THR 26 -4.803 -14.150 1.103 202 H ASN 27 H ASN 27 -2.308 -12.031 -2.822 203 HA ASN 27 HA ASN 27 -2.349 -9.596 -1.833 204 1HB ASN 27 2HB ASN 27 -3.574 -8.865 -4.098 205 2HB ASN 27 1HB ASN 27 -1.929 -9.496 -4.069 206 1HD2 ASN 27 1HD2 ASN 27 -1.558 -11.621 -4.957 207 2HD2 ASN 27 2HD2 ASN 27 -2.769 -12.494 -5.766 208 H ALA 28 H ALA 28 -3.671 -8.023 -1.011 209 HA ALA 28 HA ALA 28 -6.575 -8.131 -1.416 210 1HB ALA 28 1HB ALA 28 -6.790 -9.534 0.374 211 2HB ALA 28 2HB ALA 28 -6.480 -8.088 1.333 212 3HB ALA 28 3HB ALA 28 -5.158 -9.188 0.944 213 H GLU 29 H GLU 29 -4.675 -6.832 1.275 214 HA GLU 29 HA GLU 29 -4.122 -4.230 0.435 215 1HB GLU 29 2HB GLU 29 -6.226 -3.070 1.341 216 2HB GLU 29 1HB GLU 29 -6.393 -3.890 -0.205 217 1HG GLU 29 2HG GLU 29 -6.961 -5.894 1.638 218 2HG GLU 29 1HG GLU 29 -7.683 -4.461 2.363 219 H LYS 30 H LYS 30 -2.661 -5.333 2.292 220 HA LYS 30 HA LYS 30 -3.729 -4.907 4.993 221 1HB LYS 30 2HB LYS 30 -1.262 -6.026 3.793 222 2HB LYS 30 1HB LYS 30 -1.183 -5.416 5.439 223 1HG LYS 30 2HG LYS 30 -1.865 -7.936 5.015 224 2HG LYS 30 1HG LYS 30 -2.658 -6.996 6.274 225 1HD LYS 30 2HD LYS 30 -4.537 -6.513 4.769 226 2HD LYS 30 1HD LYS 30 -3.737 -7.374 3.457 227 1HE LYS 30 2HE LYS 30 -4.584 -9.333 4.203 228 2HE LYS 30 1HE LYS 30 -3.855 -9.066 5.800 229 1HZ LYS 30 1HZ LYS 30 -6.386 -9.115 5.688 230 2HZ LYS 30 2HZ LYS 30 -6.273 -7.600 4.927 231 3HZ LYS 30 3HZ LYS 30 -5.677 -7.809 6.504 232 H ARG 31 H ARG 31 -0.639 -3.855 3.644 233 HA ARG 31 HA ARG 31 -1.249 -1.053 4.494 234 1HB ARG 31 2HB ARG 31 0.495 -3.009 5.751 235 2HB ARG 31 1HB ARG 31 1.407 -1.586 5.248 236 1HG ARG 31 2HG ARG 31 -0.500 -0.221 6.342 237 2HG ARG 31 1HG ARG 31 -0.945 -1.736 7.128 238 1HD ARG 31 2HD ARG 31 1.196 -1.904 8.219 239 2HD ARG 31 1HD ARG 31 1.855 -0.569 7.252 240 HE ARG 31 HE ARG 31 0.281 0.947 8.413 241 1HH1 ARG 31 1HH1 ARG 31 1.973 -0.321 10.570 242 2HH1 ARG 31 2HH1 ARG 31 0.771 -0.794 11.725 243 1HH2 ARG 31 1HH2 ARG 31 -1.868 -0.496 9.497 244 2HH2 ARG 31 2HH2 ARG 31 -1.402 -0.894 11.117 245 H CYS 32 H CYS 32 -0.350 0.452 3.094 246 HA CYS 32 HA CYS 32 0.546 -0.155 0.520 247 1HB CYS 32 2HB CYS 32 1.254 2.145 2.371 248 2HB CYS 32 1HB CYS 32 1.524 2.159 0.624 249 H ARG 33 H ARG 33 2.345 -1.282 -0.138 250 HA ARG 33 HA ARG 33 4.960 -0.732 1.129 251 1HB ARG 33 2HB ARG 33 3.487 -3.375 1.260 252 2HB ARG 33 1HB ARG 33 5.219 -3.234 1.557 253 1HG ARG 33 2HG ARG 33 4.656 -1.472 3.305 254 2HG ARG 33 1HG ARG 33 2.971 -1.954 3.125 255 1HD ARG 33 2HD ARG 33 4.711 -4.276 3.452 256 2HD ARG 33 1HD ARG 33 4.829 -3.161 4.826 257 HE ARG 33 HE ARG 33 2.082 -3.356 4.187 258 1HH1 ARG 33 1HH2 ARG 33 3.483 -6.187 3.810 259 2HH1 ARG 33 2HH2 ARG 33 2.996 -6.924 5.299 260 1HH2 ARG 33 1HH1 ARG 33 1.962 -3.946 6.742 261 2HH2 ARG 33 2HH1 ARG 33 2.133 -5.655 6.960 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -8.240 10.409 -6.934 2 2H GLY 1 2HT GLY 1 -9.569 10.414 -5.875 3 3H GLY 1 3HT GLY 1 -8.216 9.441 -5.542 4 1HA GLY 1 2HA GLY 1 -7.956 12.372 -5.762 5 2HA GLY 1 1HA GLY 1 -8.462 11.614 -4.251 6 H ASP 2 H ASP 2 -6.304 12.675 -3.612 7 HA ASP 2 HA ASP 2 -3.781 11.755 -4.509 8 1HB ASP 2 2HB ASP 2 -4.468 13.641 -2.889 9 2HB ASP 2 1HB ASP 2 -4.500 12.393 -1.642 10 H CYS 3 H CYS 3 -3.334 9.573 -4.691 11 HA CYS 3 HA CYS 3 -4.446 7.402 -3.357 12 1HB CYS 3 2HB CYS 3 -2.151 6.361 -3.807 13 2HB CYS 3 1HB CYS 3 -2.959 7.091 -5.196 14 H LEU 4 H LEU 4 -3.175 5.978 -1.704 15 HA LEU 4 HA LEU 4 -2.706 7.614 0.704 16 1HB LEU 4 2HB LEU 4 -2.749 4.623 0.173 17 2HB LEU 4 1HB LEU 4 -2.713 5.364 1.771 18 HG LEU 4 HG LEU 4 -4.828 6.496 0.129 19 1HD1 LEU 4 1HD1 LEU 4 -5.926 3.978 0.764 20 2HD1 LEU 4 2HD1 LEU 4 -4.403 3.644 -0.059 21 3HD1 LEU 4 3HD1 LEU 4 -5.632 4.633 -0.847 22 1HD2 LEU 4 1HD2 LEU 4 -5.962 6.433 2.137 23 2HD2 LEU 4 2HD2 LEU 4 -4.321 6.257 2.760 24 3HD2 LEU 4 3HD2 LEU 4 -5.342 4.834 2.553 25 HA PRO 5 HA PRO 5 1.670 7.475 0.708 26 1HB PRO 5 2HB PRO 5 2.257 6.690 3.271 27 2HB PRO 5 1HB PRO 5 1.640 8.309 2.871 28 1HG PRO 5 2HG PRO 5 0.134 5.901 3.804 29 2HG PRO 5 1HG PRO 5 0.038 7.568 4.395 30 1HD PRO 5 2HD PRO 5 -1.791 6.618 2.727 31 2HD PRO 5 1HD PRO 5 -1.181 8.280 2.539 32 H HIS 6 H HIS 6 3.535 5.954 0.828 33 HA HIS 6 HA HIS 6 2.747 3.255 0.186 34 1HB HIS 6 2HB HIS 6 4.352 4.353 -1.226 35 2HB HIS 6 1HB HIS 6 5.338 4.798 0.167 36 HD1 HIS 6 1HD HIS 6 7.440 3.493 -0.421 37 HD2 HIS 6 2HD HIS 6 4.021 1.107 -0.416 38 HE1 HIS 6 1HE HIS 6 8.237 1.097 -0.625 39 H LEU 7 H LEU 7 2.407 4.020 2.951 40 HA LEU 7 HA LEU 7 3.793 1.833 4.184 41 1HB LEU 7 2HB LEU 7 4.696 4.615 4.377 42 2HB LEU 7 1HB LEU 7 4.537 3.814 5.940 43 HG LEU 7 HG LEU 7 6.194 2.905 3.574 44 1HD1 LEU 7 1HD1 LEU 7 7.831 2.892 5.709 45 2HD1 LEU 7 2HD1 LEU 7 6.706 4.148 6.224 46 3HD1 LEU 7 3HD1 LEU 7 7.589 4.324 4.708 47 1HD2 LEU 7 1HD2 LEU 7 6.792 1.159 5.570 48 2HD2 LEU 7 2HD2 LEU 7 5.596 0.822 4.318 49 3HD2 LEU 7 3HD2 LEU 7 5.078 1.424 5.893 50 H LYS 8 H LYS 8 1.009 3.294 3.843 51 HA LYS 8 HA LYS 8 0.236 3.130 6.738 52 1HB LYS 8 2HB LYS 8 -0.024 5.330 5.579 53 2HB LYS 8 1HB LYS 8 -1.098 4.557 4.411 54 1HG LYS 8 2HG LYS 8 -2.778 4.182 6.014 55 2HG LYS 8 1HG LYS 8 -1.658 4.364 7.366 56 1HD LYS 8 2HD LYS 8 -1.365 6.802 6.349 57 2HD LYS 8 1HD LYS 8 -2.970 6.474 5.696 58 1HE LYS 8 2HE LYS 8 -3.634 7.298 7.747 59 2HE LYS 8 1HE LYS 8 -3.316 5.629 8.264 60 1HZ LYS 8 1HZ LYS 8 -1.388 7.890 8.305 61 2HZ LYS 8 2HZ LYS 8 -0.990 6.279 8.665 62 3HZ LYS 8 3HZ LYS 8 -2.075 7.132 9.656 63 H ARG 9 H ARG 9 -2.229 2.441 6.871 64 HA ARG 9 HA ARG 9 -2.425 -0.171 5.641 65 1HB ARG 9 2HB ARG 9 -3.334 0.212 7.837 66 2HB ARG 9 1HB ARG 9 -4.289 1.581 7.268 67 1HG ARG 9 2HG ARG 9 -5.963 0.244 6.541 68 2HG ARG 9 1HG ARG 9 -4.839 -0.878 5.775 69 1HD ARG 9 2HD ARG 9 -4.300 -1.668 8.196 70 2HD ARG 9 1HD ARG 9 -5.820 -0.861 8.630 71 HE ARG 9 HE ARG 9 -5.850 -2.745 6.329 72 1HH1 ARG 9 1HH2 ARG 9 -7.847 -1.340 8.509 73 2HH1 ARG 9 2HH2 ARG 9 -8.569 -2.795 9.111 74 1HH2 ARG 9 1HH1 ARG 9 -6.282 -4.887 7.557 75 2HH2 ARG 9 2HH1 ARG 9 -7.683 -4.802 8.573 76 H CYS 10 H CYS 10 -3.747 -0.821 3.920 77 HA CYS 10 HA CYS 10 -5.209 1.348 2.457 78 1HB CYS 10 2HB CYS 10 -4.401 -0.330 0.463 79 2HB CYS 10 1HB CYS 10 -3.491 1.088 0.967 80 H LYS 11 H LYS 11 -7.155 0.706 1.462 81 HA LYS 11 HA LYS 11 -8.332 -1.808 2.483 82 1HB LYS 11 2HB LYS 11 -9.194 0.822 1.453 83 2HB LYS 11 1HB LYS 11 -10.234 -0.519 0.972 84 1HG LYS 11 2HG LYS 11 -10.861 -0.995 3.150 85 2HG LYS 11 1HG LYS 11 -9.359 -0.366 3.830 86 1HD LYS 11 2HD LYS 11 -11.111 1.194 4.396 87 2HD LYS 11 1HD LYS 11 -10.119 1.944 3.144 88 1HE LYS 11 2HE LYS 11 -12.232 2.319 2.242 89 2HE LYS 11 1HE LYS 11 -11.901 0.721 1.546 90 1HZ LYS 11 1HZ LYS 11 -13.363 -0.268 2.904 91 2HZ LYS 11 2HZ LYS 11 -14.012 1.284 3.130 92 3HZ LYS 11 3HZ LYS 11 -12.904 0.654 4.252 93 H ALA 12 H ALA 12 -7.463 -0.280 -0.608 94 HA ALA 12 HA ALA 12 -7.929 -2.926 -1.946 95 1HB ALA 12 1HB ALA 12 -9.681 -1.353 -2.547 96 2HB ALA 12 2HB ALA 12 -8.601 -1.521 -3.931 97 3HB ALA 12 3HB ALA 12 -8.491 -0.098 -2.894 98 H ASP 13 H ASP 13 -6.433 -3.399 -3.677 99 HA ASP 13 HA ASP 13 -3.739 -2.758 -3.282 100 1HB ASP 13 2HB ASP 13 -5.130 -3.461 -5.882 101 2HB ASP 13 1HB ASP 13 -3.443 -3.788 -5.472 102 H ASN 14 H ASN 14 -6.130 -1.134 -5.354 103 HA ASN 14 HA ASN 14 -4.094 0.748 -6.380 104 1HB ASN 14 2HB ASN 14 -5.855 1.427 -7.858 105 2HB ASN 14 1HB ASN 14 -5.994 -0.324 -7.700 106 1HD2 ASN 14 1HD2 ASN 14 -8.284 1.053 -8.469 107 2HD2 ASN 14 2HD2 ASN 14 -9.398 1.096 -7.190 108 H ASP 15 H ASP 15 -4.387 0.979 -3.578 109 HA ASP 15 HA ASP 15 -5.862 3.568 -3.317 110 1HB ASP 15 2HB ASP 15 -6.085 1.146 -1.959 111 2HB ASP 15 1HB ASP 15 -5.339 2.249 -0.813 112 H CYS 16 H CYS 16 -2.900 1.803 -2.711 113 HA CYS 16 HA CYS 16 -1.608 3.893 -1.103 114 1HB CYS 16 2HB CYS 16 -0.581 1.476 -2.646 115 2HB CYS 16 1HB CYS 16 0.334 2.379 -1.430 116 H CYS 17 H CYS 17 0.256 5.121 -1.892 117 HA CYS 17 HA CYS 17 -0.070 6.119 -4.624 118 1HB CYS 17 2HB CYS 17 1.772 6.665 -2.290 119 2HB CYS 17 1HB CYS 17 2.004 7.446 -3.855 120 H GLY 18 H GLY 18 1.482 3.454 -3.228 121 1HA GLY 18 2HA GLY 18 3.677 3.445 -5.240 122 2HA GLY 18 1HA GLY 18 3.531 2.336 -3.872 123 H LYS 19 H LYS 19 0.486 2.505 -4.914 124 HA LYS 19 HA LYS 19 -0.891 1.112 -6.210 125 1HB LYS 19 2HB LYS 19 1.539 1.720 -7.759 126 2HB LYS 19 1HB LYS 19 0.732 0.240 -8.276 127 1HG LYS 19 2HG LYS 19 -1.445 1.688 -8.165 128 2HG LYS 19 1HG LYS 19 -0.329 3.054 -8.242 129 1HD LYS 19 2HD LYS 19 0.715 1.611 -10.231 130 2HD LYS 19 1HD LYS 19 -0.930 0.979 -10.306 131 1HE LYS 19 2HE LYS 19 -1.766 3.362 -10.390 132 2HE LYS 19 1HE LYS 19 -0.076 3.882 -10.552 133 1HZ LYS 19 1HZ LYS 19 -1.704 2.270 -12.397 134 2HZ LYS 19 2HZ LYS 19 -0.023 2.028 -12.350 135 3HZ LYS 19 3HZ LYS 19 -0.653 3.555 -12.741 136 H LYS 20 H LYS 20 1.224 0.072 -4.170 137 HA LYS 20 HA LYS 20 0.828 -2.799 -4.881 138 1HB LYS 20 2HB LYS 20 3.204 -1.445 -5.209 139 2HB LYS 20 1HB LYS 20 3.393 -2.133 -3.595 140 1HG LYS 20 2HG LYS 20 2.406 -4.298 -4.803 141 2HG LYS 20 1HG LYS 20 3.105 -3.521 -6.224 142 1HD LYS 20 2HD LYS 20 5.163 -4.177 -5.603 143 2HD LYS 20 1HD LYS 20 4.982 -3.346 -4.058 144 1HE LYS 20 2HE LYS 20 5.313 -5.605 -3.422 145 2HE LYS 20 1HE LYS 20 3.547 -5.440 -3.387 146 1HZ LYS 20 1HZ LYS 20 4.159 -7.368 -4.692 147 2HZ LYS 20 2HZ LYS 20 5.174 -6.422 -5.674 148 3HZ LYS 20 3HZ LYS 20 3.492 -6.183 -5.707 149 H CYS 21 H CYS 21 -0.913 -2.343 -3.174 150 HA CYS 21 HA CYS 21 -0.018 -1.874 -0.427 151 1HB CYS 21 2HB CYS 21 -2.234 -1.167 -1.171 152 2HB CYS 21 1HB CYS 21 -2.614 -2.798 -1.727 153 H LYS 22 H LYS 22 0.889 -3.560 0.806 154 HA LYS 22 HA LYS 22 0.623 -6.329 -0.256 155 1HB LYS 22 2HB LYS 22 2.834 -5.267 0.126 156 2HB LYS 22 1HB LYS 22 2.450 -5.136 1.842 157 1HG LYS 22 2HG LYS 22 1.937 -7.826 0.990 158 2HG LYS 22 1HG LYS 22 3.562 -7.369 0.480 159 1HD LYS 22 2HD LYS 22 4.022 -6.569 2.801 160 2HD LYS 22 1HD LYS 22 2.433 -7.162 3.286 161 1HE LYS 22 2HE LYS 22 3.516 -9.356 1.985 162 2HE LYS 22 1HE LYS 22 4.912 -8.669 2.839 163 1HZ LYS 22 1HZ LYS 22 3.889 -9.936 4.471 164 2HZ LYS 22 2HZ LYS 22 2.320 -9.550 3.945 165 3HZ LYS 22 3HZ LYS 22 3.253 -8.392 4.766 166 H ARG 23 H ARG 23 -1.012 -7.493 0.634 167 HA ARG 23 HA ARG 23 -2.063 -7.065 3.308 168 1HB ARG 23 2HB ARG 23 -3.750 -8.454 2.574 169 2HB ARG 23 1HB ARG 23 -3.116 -7.920 1.027 170 1HG ARG 23 2HG ARG 23 -2.997 -10.155 0.580 171 2HG ARG 23 1HG ARG 23 -1.502 -10.071 1.506 172 1HD ARG 23 2HD ARG 23 -3.114 -11.905 2.235 173 2HD ARG 23 1HD ARG 23 -2.659 -10.784 3.529 174 HE ARG 23 HE ARG 23 -5.208 -10.561 1.974 175 1HH1 ARG 23 1HH1 ARG 23 -4.214 -11.406 4.981 176 2HH1 ARG 23 2HH1 ARG 23 -5.066 -10.171 5.846 177 1HH2 ARG 23 1HH2 ARG 23 -5.912 -8.386 2.996 178 2HH2 ARG 23 2HH2 ARG 23 -6.026 -8.462 4.723 179 H ARG 24 H ARG 24 -2.192 -9.101 4.808 180 HA ARG 24 HA ARG 24 0.538 -10.195 5.095 181 1HB ARG 24 2HB ARG 24 -1.602 -9.477 6.779 182 2HB ARG 24 1HB ARG 24 -1.481 -11.232 6.912 183 1HG ARG 24 2HG ARG 24 1.158 -10.513 6.989 184 2HG ARG 24 1HG ARG 24 0.406 -9.143 7.808 185 1HD ARG 24 2HD ARG 24 0.441 -10.471 9.663 186 2HD ARG 24 1HD ARG 24 -0.915 -11.331 8.907 187 HE ARG 24 HE ARG 24 1.841 -12.120 8.119 188 1HH1 ARG 24 1HH2 ARG 24 0.680 -12.888 10.938 189 2HH1 ARG 24 2HH2 ARG 24 0.178 -14.512 10.606 190 1HH2 ARG 24 1HH1 ARG 24 0.414 -14.161 7.163 191 2HH2 ARG 24 2HH1 ARG 24 0.026 -15.232 8.468 192 H GLY 25 H GLY 25 -0.486 -11.149 2.746 193 1HA GLY 25 2HA GLY 25 -0.400 -13.995 3.073 194 2HA GLY 25 1HA GLY 25 -2.070 -13.490 2.810 195 H THR 26 H THR 26 -2.713 -13.035 0.724 196 HA THR 26 HA THR 26 -0.571 -13.061 -1.381 197 HB THR 26 HB THR 26 -2.202 -14.982 -1.250 198 HG1 THR 26 1HG THR 26 -1.223 -14.131 -3.238 199 1HG2 THR 26 1HG2 THR 26 -4.428 -13.673 -2.478 200 2HG2 THR 26 2HG2 THR 26 -4.041 -12.816 -0.986 201 3HG2 THR 26 3HG2 THR 26 -4.385 -14.545 -0.944 202 H ASN 27 H ASN 27 -0.914 -10.605 -0.365 203 HA ASN 27 HA ASN 27 -1.524 -8.400 -0.857 204 1HB ASN 27 2HB ASN 27 -1.361 -7.907 -3.096 205 2HB ASN 27 1HB ASN 27 -0.694 -9.537 -3.095 206 1HD2 ASN 27 1HD2 ASN 27 -3.849 -7.837 -3.508 207 2HD2 ASN 27 2HD2 ASN 27 -4.463 -8.938 -4.645 208 H ALA 28 H ALA 28 -3.323 -7.082 -0.757 209 HA ALA 28 HA ALA 28 -5.934 -7.643 -1.684 210 1HB ALA 28 1HB ALA 28 -6.824 -8.373 0.655 211 2HB ALA 28 2HB ALA 28 -5.146 -8.800 0.984 212 3HB ALA 28 3HB ALA 28 -6.011 -9.585 -0.337 213 H GLU 29 H GLU 29 -4.603 -6.662 1.500 214 HA GLU 29 HA GLU 29 -4.895 -3.847 1.065 215 1HB GLU 29 2HB GLU 29 -7.050 -3.432 2.125 216 2HB GLU 29 1HB GLU 29 -7.279 -4.579 0.811 217 1HG GLU 29 2HG GLU 29 -6.652 -6.179 3.013 218 2HG GLU 29 1HG GLU 29 -7.728 -4.940 3.662 219 H LYS 30 H LYS 30 -2.826 -4.811 2.529 220 HA LYS 30 HA LYS 30 -3.688 -4.513 5.366 221 1HB LYS 30 2HB LYS 30 -1.359 -5.824 4.084 222 2HB LYS 30 1HB LYS 30 -1.217 -5.240 5.733 223 1HG LYS 30 2HG LYS 30 -3.271 -7.217 4.704 224 2HG LYS 30 1HG LYS 30 -1.940 -7.557 5.811 225 1HD LYS 30 2HD LYS 30 -3.323 -5.386 6.947 226 2HD LYS 30 1HD LYS 30 -4.572 -6.505 6.398 227 1HE LYS 30 2HE LYS 30 -4.003 -7.209 8.625 228 2HE LYS 30 1HE LYS 30 -3.176 -8.353 7.548 229 1HZ LYS 30 1HZ LYS 30 -2.053 -6.038 8.997 230 2HZ LYS 30 2HZ LYS 30 -1.302 -6.617 7.586 231 3HZ LYS 30 3HZ LYS 30 -1.479 -7.632 8.937 232 H ARG 31 H ARG 31 -0.504 -3.866 4.019 233 HA ARG 31 HA ARG 31 -0.889 -0.964 4.677 234 1HB ARG 31 2HB ARG 31 0.662 -2.861 6.045 235 2HB ARG 31 1HB ARG 31 1.817 -1.946 5.075 236 1HG ARG 31 2HG ARG 31 1.128 0.129 6.028 237 2HG ARG 31 1HG ARG 31 -0.296 -0.604 6.767 238 1HD ARG 31 2HD ARG 31 1.247 -2.028 8.168 239 2HD ARG 31 1HD ARG 31 2.604 -1.076 7.531 240 HE ARG 31 HE ARG 31 0.356 0.476 8.649 241 1HH1 ARG 31 1HH2 ARG 31 2.040 -1.317 10.602 242 2HH1 ARG 31 2HH2 ARG 31 3.120 -0.117 11.230 243 1HH2 ARG 31 1HH1 ARG 31 2.374 2.218 8.780 244 2HH2 ARG 31 2HH1 ARG 31 3.310 1.884 10.198 245 H CYS 32 H CYS 32 0.275 0.464 3.322 246 HA CYS 32 HA CYS 32 0.794 -0.449 0.626 247 1HB CYS 32 2HB CYS 32 1.506 2.124 2.077 248 2HB CYS 32 1HB CYS 32 1.454 1.912 0.323 249 H ARG 33 H ARG 33 2.591 -1.694 0.178 250 HA ARG 33 HA ARG 33 5.229 -0.722 1.195 251 1HB ARG 33 2HB ARG 33 4.486 -3.649 1.151 252 2HB ARG 33 1HB ARG 33 5.784 -2.862 2.048 253 1HG ARG 33 2HG ARG 33 3.783 -1.553 3.181 254 2HG ARG 33 1HG ARG 33 2.849 -2.950 2.652 255 1HD ARG 33 2HD ARG 33 4.961 -4.242 3.732 256 2HD ARG 33 1HD ARG 33 4.963 -2.780 4.739 257 HE ARG 33 HE ARG 33 2.266 -3.641 4.488 258 1HH1 ARG 33 1HH2 ARG 33 4.704 -3.509 6.700 259 2HH1 ARG 33 2HH2 ARG 33 4.242 -4.912 7.602 260 1HH2 ARG 33 1HH1 ARG 33 1.902 -5.966 5.270 261 2HH2 ARG 33 2HH1 ARG 33 2.656 -6.305 6.792 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -3.635 13.560 -6.553 2 2H GLY 1 2HT GLY 1 -2.049 13.205 -7.050 3 3H GLY 1 3HT GLY 1 -2.662 12.536 -5.614 4 1HA GLY 1 2HA GLY 1 -3.945 11.989 -8.215 5 2HA GLY 1 1HA GLY 1 -2.565 11.040 -7.660 6 H ASP 2 H ASP 2 -4.630 12.346 -5.223 7 HA ASP 2 HA ASP 2 -5.890 11.188 -3.576 8 1HB ASP 2 2HB ASP 2 -7.065 11.238 -6.087 9 2HB ASP 2 1HB ASP 2 -7.195 9.540 -5.626 10 H CYS 3 H CYS 3 -3.779 9.980 -3.012 11 HA CYS 3 HA CYS 3 -4.239 7.053 -3.381 12 1HB CYS 3 2HB CYS 3 -1.972 6.734 -4.081 13 2HB CYS 3 1HB CYS 3 -2.585 8.087 -5.033 14 H LEU 4 H LEU 4 -3.061 5.773 -1.745 15 HA LEU 4 HA LEU 4 -2.934 7.168 0.862 16 1HB LEU 4 2HB LEU 4 -2.587 4.255 0.063 17 2HB LEU 4 1HB LEU 4 -2.819 4.853 1.701 18 HG LEU 4 HG LEU 4 -4.791 5.004 -0.590 19 1HD1 LEU 4 1HD1 LEU 4 -4.422 2.893 0.931 20 2HD1 LEU 4 2HD1 LEU 4 -6.062 3.454 0.610 21 3HD1 LEU 4 3HD1 LEU 4 -5.278 3.848 2.140 22 1HD2 LEU 4 1HD2 LEU 4 -5.195 7.035 0.473 23 2HD2 LEU 4 2HD2 LEU 4 -4.629 6.445 2.036 24 3HD2 LEU 4 3HD2 LEU 4 -6.214 5.961 1.430 25 HA PRO 5 HA PRO 5 1.446 7.451 1.132 26 1HB PRO 5 2HB PRO 5 1.945 6.431 3.627 27 2HB PRO 5 1HB PRO 5 1.181 8.019 3.379 28 1HG PRO 5 2HG PRO 5 -0.117 5.364 3.851 29 2HG PRO 5 1HG PRO 5 -0.409 6.899 4.692 30 1HD PRO 5 2HD PRO 5 -2.059 6.113 2.799 31 2HD PRO 5 1HD PRO 5 -1.534 7.815 2.846 32 H HIS 6 H HIS 6 3.450 6.006 1.498 33 HA HIS 6 HA HIS 6 2.914 3.375 0.419 34 1HB HIS 6 2HB HIS 6 4.577 4.756 -0.660 35 2HB HIS 6 1HB HIS 6 5.408 5.006 0.875 36 HD1 HIS 6 1HD HIS 6 7.607 3.862 0.217 37 HD2 HIS 6 2HD HIS 6 4.278 1.406 -0.290 38 HE1 HIS 6 1HE HIS 6 8.496 1.534 -0.232 39 H LEU 7 H LEU 7 2.343 3.950 3.260 40 HA LEU 7 HA LEU 7 3.615 1.628 4.379 41 1HB LEU 7 2HB LEU 7 4.572 4.355 4.832 42 2HB LEU 7 1HB LEU 7 4.288 3.461 6.326 43 HG LEU 7 HG LEU 7 6.072 2.647 4.018 44 1HD1 LEU 7 1HD1 LEU 7 7.759 3.402 5.312 45 2HD1 LEU 7 2HD1 LEU 7 7.126 2.567 6.731 46 3HD1 LEU 7 3HD1 LEU 7 6.527 4.172 6.312 47 1HD2 LEU 7 1HD2 LEU 7 5.703 0.502 4.610 48 2HD2 LEU 7 2HD2 LEU 7 4.595 1.015 5.883 49 3HD2 LEU 7 3HD2 LEU 7 6.320 0.875 6.220 50 H LYS 8 H LYS 8 0.873 3.325 4.114 51 HA LYS 8 HA LYS 8 0.027 2.855 6.954 52 1HB LYS 8 2HB LYS 8 -0.107 5.160 5.823 53 2HB LYS 8 1HB LYS 8 -1.389 4.473 4.825 54 1HG LYS 8 2HG LYS 8 -2.840 4.203 6.627 55 2HG LYS 8 1HG LYS 8 -1.530 4.198 7.809 56 1HD LYS 8 2HD LYS 8 -1.790 6.410 8.121 57 2HD LYS 8 1HD LYS 8 -1.459 6.694 6.412 58 1HE LYS 8 2HE LYS 8 -3.624 7.550 6.554 59 2HE LYS 8 1HE LYS 8 -3.995 5.858 6.166 60 1HZ LYS 8 1HZ LYS 8 -5.210 6.557 8.134 61 2HZ LYS 8 2HZ LYS 8 -3.760 7.007 8.898 62 3HZ LYS 8 3HZ LYS 8 -4.064 5.373 8.541 63 H ARG 9 H ARG 9 -2.177 1.948 7.221 64 HA ARG 9 HA ARG 9 -2.638 -0.412 5.717 65 1HB ARG 9 2HB ARG 9 -3.462 0.366 8.042 66 2HB ARG 9 1HB ARG 9 -4.752 1.190 7.168 67 1HG ARG 9 2HG ARG 9 -4.310 -1.621 6.369 68 2HG ARG 9 1HG ARG 9 -4.905 -1.399 8.014 69 1HD ARG 9 2HD ARG 9 -6.922 -0.495 7.309 70 2HD ARG 9 1HD ARG 9 -6.217 0.172 5.823 71 HE ARG 9 HE ARG 9 -6.053 -2.216 5.004 72 1HH1 ARG 9 1HH1 ARG 9 -6.703 -3.712 7.437 73 2HH1 ARG 9 2HH1 ARG 9 -8.397 -4.031 7.270 74 1HH2 ARG 9 1HH2 ARG 9 -8.884 -1.612 4.835 75 2HH2 ARG 9 2HH2 ARG 9 -9.631 -2.843 5.798 76 H CYS 10 H CYS 10 -3.460 -0.639 3.667 77 HA CYS 10 HA CYS 10 -4.830 1.710 2.440 78 1HB CYS 10 2HB CYS 10 -4.057 0.829 0.386 79 2HB CYS 10 1HB CYS 10 -2.755 0.459 1.512 80 H LYS 11 H LYS 11 -6.889 1.484 1.469 81 HA LYS 11 HA LYS 11 -8.557 -0.688 2.562 82 1HB LYS 11 2HB LYS 11 -8.925 1.961 2.121 83 2HB LYS 11 1HB LYS 11 -9.601 1.317 0.624 84 1HG LYS 11 2HG LYS 11 -10.712 -0.381 2.441 85 2HG LYS 11 1HG LYS 11 -10.611 1.098 3.398 86 1HD LYS 11 2HD LYS 11 -11.554 2.127 1.085 87 2HD LYS 11 1HD LYS 11 -12.252 0.510 0.993 88 1HE LYS 11 2HE LYS 11 -13.879 1.229 2.399 89 2HE LYS 11 1HE LYS 11 -12.642 1.358 3.665 90 1HZ LYS 11 1HZ LYS 11 -13.816 3.491 3.117 91 2HZ LYS 11 2HZ LYS 11 -13.068 3.437 1.591 92 3HZ LYS 11 3HZ LYS 11 -12.125 3.555 3.001 93 H ALA 12 H ALA 12 -6.780 -0.049 -0.292 94 HA ALA 12 HA ALA 12 -7.793 -2.495 -1.563 95 1HB ALA 12 1HB ALA 12 -8.439 0.294 -2.485 96 2HB ALA 12 2HB ALA 12 -9.499 -1.113 -2.390 97 3HB ALA 12 3HB ALA 12 -8.293 -1.001 -3.673 98 H ASP 13 H ASP 13 -6.243 -3.336 -2.974 99 HA ASP 13 HA ASP 13 -3.562 -2.640 -2.844 100 1HB ASP 13 2HB ASP 13 -4.992 -3.707 -5.299 101 2HB ASP 13 1HB ASP 13 -3.323 -4.029 -4.817 102 H ASN 14 H ASN 14 -6.042 -1.329 -5.012 103 HA ASN 14 HA ASN 14 -4.072 0.358 -6.430 104 1HB ASN 14 2HB ASN 14 -7.043 -0.172 -6.618 105 2HB ASN 14 1HB ASN 14 -6.241 1.035 -7.622 106 1HD2 ASN 14 1HD2 ASN 14 -7.412 -1.886 -8.080 107 2HD2 ASN 14 2HD2 ASN 14 -6.201 -2.614 -9.019 108 H ASP 15 H ASP 15 -4.542 0.883 -3.529 109 HA ASP 15 HA ASP 15 -5.795 3.591 -3.727 110 1HB ASP 15 2HB ASP 15 -6.242 1.415 -2.043 111 2HB ASP 15 1HB ASP 15 -5.474 2.643 -1.039 112 H CYS 16 H CYS 16 -2.920 1.819 -2.916 113 HA CYS 16 HA CYS 16 -1.590 3.961 -1.405 114 1HB CYS 16 2HB CYS 16 -0.591 1.473 -2.854 115 2HB CYS 16 1HB CYS 16 0.327 2.404 -1.661 116 H CYS 17 H CYS 17 0.344 5.105 -2.318 117 HA CYS 17 HA CYS 17 -0.102 5.980 -5.075 118 1HB CYS 17 2HB CYS 17 1.194 6.894 -2.718 119 2HB CYS 17 1HB CYS 17 2.370 6.834 -4.028 120 H GLY 18 H GLY 18 1.603 3.448 -3.566 121 1HA GLY 18 2HA GLY 18 3.633 3.259 -5.715 122 2HA GLY 18 1HA GLY 18 3.515 2.199 -4.307 123 H LYS 19 H LYS 19 0.437 2.361 -5.181 124 HA LYS 19 HA LYS 19 -1.022 0.949 -6.366 125 1HB LYS 19 2HB LYS 19 1.328 1.479 -8.086 126 2HB LYS 19 1HB LYS 19 0.397 0.051 -8.538 127 1HG LYS 19 2HG LYS 19 -1.582 1.897 -8.013 128 2HG LYS 19 1HG LYS 19 -0.324 2.892 -8.745 129 1HD LYS 19 2HD LYS 19 -0.408 1.760 -10.768 130 2HD LYS 19 1HD LYS 19 -0.990 0.269 -10.026 131 1HE LYS 19 2HE LYS 19 -3.064 0.882 -10.731 132 2HE LYS 19 1HE LYS 19 -3.006 2.151 -9.491 133 1HZ LYS 19 1HZ LYS 19 -3.338 2.991 -11.805 134 2HZ LYS 19 2HZ LYS 19 -1.778 2.427 -12.178 135 3HZ LYS 19 3HZ LYS 19 -1.988 3.643 -11.010 136 H LYS 20 H LYS 20 1.404 -0.053 -4.571 137 HA LYS 20 HA LYS 20 0.882 -2.945 -5.120 138 1HB LYS 20 2HB LYS 20 3.481 -1.449 -4.724 139 2HB LYS 20 1HB LYS 20 3.370 -3.185 -4.436 140 1HG LYS 20 2HG LYS 20 2.120 -2.939 -6.871 141 2HG LYS 20 1HG LYS 20 3.372 -1.702 -6.981 142 1HD LYS 20 2HD LYS 20 5.097 -3.236 -6.840 143 2HD LYS 20 1HD LYS 20 4.142 -4.381 -5.899 144 1HE LYS 20 2HE LYS 20 2.740 -4.773 -7.989 145 2HE LYS 20 1HE LYS 20 3.967 -3.850 -8.880 146 1HZ LYS 20 1HZ LYS 20 4.958 -5.867 -7.035 147 2HZ LYS 20 2HZ LYS 20 5.524 -5.437 -8.578 148 3HZ LYS 20 3HZ LYS 20 4.179 -6.461 -8.418 149 H CYS 21 H CYS 21 -0.696 -2.451 -3.289 150 HA CYS 21 HA CYS 21 0.420 -1.800 -0.666 151 1HB CYS 21 2HB CYS 21 -1.882 -1.193 -1.418 152 2HB CYS 21 1HB CYS 21 -2.283 -2.911 -1.507 153 H LYS 22 H LYS 22 1.178 -3.310 0.815 154 HA LYS 22 HA LYS 22 1.296 -6.137 0.046 155 1HB LYS 22 2HB LYS 22 2.920 -4.506 1.414 156 2HB LYS 22 1HB LYS 22 2.000 -5.142 2.775 157 1HG LYS 22 2HG LYS 22 3.709 -6.717 2.616 158 2HG LYS 22 1HG LYS 22 2.460 -7.464 1.619 159 1HD LYS 22 2HD LYS 22 4.009 -5.619 0.026 160 2HD LYS 22 1HD LYS 22 5.081 -6.767 0.827 161 1HE LYS 22 2HE LYS 22 2.658 -8.024 -0.278 162 2HE LYS 22 1HE LYS 22 3.710 -7.294 -1.506 163 1HZ LYS 22 1HZ LYS 22 4.888 -8.846 0.699 164 2HZ LYS 22 2HZ LYS 22 5.510 -8.551 -0.854 165 3HZ LYS 22 3HZ LYS 22 4.244 -9.663 -0.640 166 H ARG 23 H ARG 23 0.260 -7.836 1.223 167 HA ARG 23 HA ARG 23 -1.950 -7.029 3.030 168 1HB ARG 23 2HB ARG 23 -3.451 -8.358 1.859 169 2HB ARG 23 1HB ARG 23 -2.457 -7.718 0.560 170 1HG ARG 23 2HG ARG 23 -2.139 -10.426 1.896 171 2HG ARG 23 1HG ARG 23 -2.773 -10.143 0.290 172 1HD ARG 23 2HD ARG 23 0.063 -9.659 1.248 173 2HD ARG 23 1HD ARG 23 -0.474 -10.787 -0.009 174 HE ARG 23 HE ARG 23 -1.382 -8.170 -0.694 175 1HH1 ARG 23 1HH1 ARG 23 1.263 -10.349 -0.802 176 2HH1 ARG 23 2HH1 ARG 23 2.218 -9.358 -1.854 177 1HH2 ARG 23 1HH2 ARG 23 -0.059 -6.744 -1.891 178 2HH2 ARG 23 2HH2 ARG 23 1.469 -7.317 -2.471 179 H ARG 24 H ARG 24 -2.856 -9.527 3.717 180 HA ARG 24 HA ARG 24 -0.457 -10.917 4.870 181 1HB ARG 24 2HB ARG 24 -2.534 -9.474 6.143 182 2HB ARG 24 1HB ARG 24 -2.864 -11.178 6.455 183 1HG ARG 24 2HG ARG 24 -0.491 -11.453 7.202 184 2HG ARG 24 1HG ARG 24 -0.270 -9.712 7.014 185 1HD ARG 24 2HD ARG 24 -2.632 -10.020 8.541 186 2HD ARG 24 1HD ARG 24 -1.442 -11.136 9.238 187 HE ARG 24 HE ARG 24 -0.422 -8.450 8.578 188 1HH1 ARG 24 1HH1 ARG 24 -2.301 -10.081 10.905 189 2HH1 ARG 24 2HH1 ARG 24 -1.428 -9.460 12.266 190 1HH2 ARG 24 1HH2 ARG 24 0.976 -7.873 10.340 191 2HH2 ARG 24 2HH2 ARG 24 0.426 -8.210 11.946 192 H GLY 25 H GLY 25 -1.270 -11.951 2.521 193 1HA GLY 25 2HA GLY 25 -1.946 -14.608 2.947 194 2HA GLY 25 1HA GLY 25 -3.503 -13.801 2.759 195 H THR 26 H THR 26 -4.141 -14.437 0.724 196 HA THR 26 HA THR 26 -2.249 -14.570 -1.518 197 HB THR 26 HB THR 26 -4.446 -15.138 -2.705 198 HG1 THR 26 1HG THR 26 -6.006 -15.763 -0.900 199 1HG2 THR 26 1HG2 THR 26 -3.058 -16.940 -2.005 200 2HG2 THR 26 2HG2 THR 26 -4.668 -17.319 -1.393 201 3HG2 THR 26 3HG2 THR 26 -3.442 -16.669 -0.305 202 H ASN 27 H ASN 27 -1.957 -12.070 -0.837 203 HA ASN 27 HA ASN 27 -2.101 -9.857 -1.631 204 1HB ASN 27 2HB ASN 27 -3.774 -11.125 -3.800 205 2HB ASN 27 1HB ASN 27 -2.902 -9.596 -3.889 206 1HD2 ASN 27 1HD2 ASN 27 -2.539 -13.092 -4.064 207 2HD2 ASN 27 2HD2 ASN 27 -0.892 -13.090 -4.474 208 H ALA 28 H ALA 28 -3.518 -8.099 -1.447 209 HA ALA 28 HA ALA 28 -6.336 -8.148 -1.579 210 1HB ALA 28 1HB ALA 28 -6.698 -9.563 0.185 211 2HB ALA 28 2HB ALA 28 -6.379 -8.127 1.158 212 3HB ALA 28 3HB ALA 28 -5.087 -9.287 0.848 213 H GLU 29 H GLU 29 -4.548 -7.001 1.244 214 HA GLU 29 HA GLU 29 -3.691 -4.471 0.444 215 1HB GLU 29 2HB GLU 29 -5.824 -3.159 1.201 216 2HB GLU 29 1HB GLU 29 -5.775 -3.851 -0.417 217 1HG GLU 29 2HG GLU 29 -7.533 -5.186 0.038 218 2HG GLU 29 1HG GLU 29 -6.749 -5.804 1.492 219 H LYS 30 H LYS 30 -2.341 -5.216 2.386 220 HA LYS 30 HA LYS 30 -3.692 -4.739 4.981 221 1HB LYS 30 2HB LYS 30 -1.091 -5.987 4.170 222 2HB LYS 30 1HB LYS 30 -1.322 -5.412 5.815 223 1HG LYS 30 2HG LYS 30 -2.676 -7.704 4.430 224 2HG LYS 30 1HG LYS 30 -2.015 -7.616 6.051 225 1HD LYS 30 2HD LYS 30 -4.574 -6.337 5.065 226 2HD LYS 30 1HD LYS 30 -4.436 -7.708 6.162 227 1HE LYS 30 2HE LYS 30 -2.876 -5.412 7.095 228 2HE LYS 30 1HE LYS 30 -4.605 -5.041 6.950 229 1HZ LYS 30 1HZ LYS 30 -3.654 -7.572 8.153 230 2HZ LYS 30 2HZ LYS 30 -5.184 -6.845 8.293 231 3HZ LYS 30 3HZ LYS 30 -3.842 -6.170 9.088 232 H ARG 31 H ARG 31 -0.427 -3.912 3.874 233 HA ARG 31 HA ARG 31 -0.970 -1.081 4.712 234 1HB ARG 31 2HB ARG 31 0.665 -2.996 5.937 235 2HB ARG 31 1HB ARG 31 1.786 -1.982 5.026 236 1HG ARG 31 2HG ARG 31 1.454 -1.056 7.273 237 2HG ARG 31 1HG ARG 31 0.774 0.034 6.064 238 1HD ARG 31 2HD ARG 31 -1.083 -0.047 7.411 239 2HD ARG 31 1HD ARG 31 -1.377 -1.591 6.588 240 HE ARG 31 HE ARG 31 0.227 -2.483 8.511 241 1HH1 ARG 31 1HH1 ARG 31 -0.479 0.437 9.594 242 2HH1 ARG 31 2HH1 ARG 31 -1.564 -0.015 10.865 243 1HH2 ARG 31 1HH2 ARG 31 -1.914 -3.285 9.770 244 2HH2 ARG 31 2HH2 ARG 31 -2.376 -2.121 10.966 245 H CYS 32 H CYS 32 -0.221 0.464 3.259 246 HA CYS 32 HA CYS 32 0.401 -0.152 0.572 247 1HB CYS 32 2HB CYS 32 0.973 2.213 2.365 248 2HB CYS 32 1HB CYS 32 1.336 2.231 0.638 249 H ARG 33 H ARG 33 2.270 -0.966 -0.351 250 HA ARG 33 HA ARG 33 4.899 -0.287 0.833 251 1HB ARG 33 2HB ARG 33 3.763 -3.091 0.654 252 2HB ARG 33 1HB ARG 33 5.446 -2.733 1.026 253 1HG ARG 33 2HG ARG 33 4.702 -1.398 2.993 254 2HG ARG 33 1HG ARG 33 3.037 -1.858 2.648 255 1HD ARG 33 2HD ARG 33 4.306 -4.306 2.648 256 2HD ARG 33 1HD ARG 33 5.162 -3.428 3.931 257 HE ARG 33 HE ARG 33 2.162 -3.542 3.844 258 1HH1 ARG 33 1HH2 ARG 33 4.133 -1.987 5.779 259 2HH1 ARG 33 2HH2 ARG 33 3.936 -2.953 7.203 260 1HH2 ARG 33 1HH1 ARG 33 2.368 -5.559 5.539 261 2HH2 ARG 33 2HH1 ARG 33 2.934 -4.974 7.067 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -3.557 9.045 -9.395 2 2H GLY 1 2HT GLY 1 -4.723 10.013 -10.165 3 3H GLY 1 3HT GLY 1 -5.046 9.339 -8.638 4 1HA GLY 1 2HA GLY 1 -2.729 11.116 -8.943 5 2HA GLY 1 1HA GLY 1 -4.344 11.819 -8.836 6 H ASP 2 H ASP 2 -5.589 11.429 -6.896 7 HA ASP 2 HA ASP 2 -4.094 11.523 -4.469 8 1HB ASP 2 2HB ASP 2 -6.645 12.043 -5.299 9 2HB ASP 2 1HB ASP 2 -6.892 10.568 -4.364 10 H CYS 3 H CYS 3 -3.227 9.888 -3.273 11 HA CYS 3 HA CYS 3 -4.447 7.185 -3.324 12 1HB CYS 3 2HB CYS 3 -2.094 6.281 -3.802 13 2HB CYS 3 1HB CYS 3 -2.937 7.026 -5.162 14 H LEU 4 H LEU 4 -3.147 5.745 -1.708 15 HA LEU 4 HA LEU 4 -2.746 7.328 0.747 16 1HB LEU 4 2HB LEU 4 -2.595 4.337 0.231 17 2HB LEU 4 1HB LEU 4 -2.760 5.114 1.799 18 HG LEU 4 HG LEU 4 -4.772 5.317 -0.458 19 1HD1 LEU 4 1HD1 LEU 4 -5.311 3.995 2.172 20 2HD1 LEU 4 2HD1 LEU 4 -4.410 3.095 0.951 21 3HD1 LEU 4 3HD1 LEU 4 -6.035 3.684 0.595 22 1HD2 LEU 4 1HD2 LEU 4 -5.575 7.074 0.692 23 2HD2 LEU 4 2HD2 LEU 4 -4.321 6.877 1.916 24 3HD2 LEU 4 3HD2 LEU 4 -5.848 6.007 2.070 25 HA PRO 5 HA PRO 5 1.622 7.433 0.784 26 1HB PRO 5 2HB PRO 5 2.185 6.702 3.367 27 2HB PRO 5 1HB PRO 5 1.479 8.278 2.940 28 1HG PRO 5 2HG PRO 5 0.092 5.779 3.830 29 2HG PRO 5 1HG PRO 5 -0.112 7.434 4.431 30 1HD PRO 5 2HD PRO 5 -1.846 6.414 2.718 31 2HD PRO 5 1HD PRO 5 -1.299 8.099 2.534 32 H HIS 6 H HIS 6 3.601 6.030 1.259 33 HA HIS 6 HA HIS 6 3.056 3.293 0.494 34 1HB HIS 6 2HB HIS 6 4.718 4.421 -0.781 35 2HB HIS 6 1HB HIS 6 5.478 5.072 0.668 36 HD1 HIS 6 1HD HIS 6 7.775 4.006 0.458 37 HD2 HIS 6 2HD HIS 6 4.687 1.224 0.166 38 HE1 HIS 6 1HE HIS 6 8.863 1.720 0.521 39 H LEU 7 H LEU 7 2.411 4.105 3.211 40 HA LEU 7 HA LEU 7 3.727 1.980 4.613 41 1HB LEU 7 2HB LEU 7 4.643 4.727 4.750 42 2HB LEU 7 1HB LEU 7 4.214 4.110 6.347 43 HG LEU 7 HG LEU 7 6.146 2.870 4.373 44 1HD1 LEU 7 1HD1 LEU 7 7.807 3.345 6.026 45 2HD1 LEU 7 2HD1 LEU 7 6.586 3.769 7.227 46 3HD1 LEU 7 3HD1 LEU 7 6.865 4.824 5.842 47 1HD2 LEU 7 1HD2 LEU 7 6.412 1.341 6.552 48 2HD2 LEU 7 2HD2 LEU 7 5.229 0.959 5.300 49 3HD2 LEU 7 3HD2 LEU 7 4.719 1.793 6.768 50 H LYS 8 H LYS 8 0.945 3.053 3.963 51 HA LYS 8 HA LYS 8 -0.087 2.956 6.780 52 1HB LYS 8 2HB LYS 8 -0.115 5.242 5.723 53 2HB LYS 8 1HB LYS 8 -1.180 4.596 4.473 54 1HG LYS 8 2HG LYS 8 -2.493 3.754 6.692 55 2HG LYS 8 1HG LYS 8 -1.769 5.240 7.306 56 1HD LYS 8 2HD LYS 8 -2.924 5.528 4.620 57 2HD LYS 8 1HD LYS 8 -4.112 5.108 5.855 58 1HE LYS 8 2HE LYS 8 -3.817 7.091 7.011 59 2HE LYS 8 1HE LYS 8 -2.118 7.242 6.519 60 1HZ LYS 8 1HZ LYS 8 -4.185 7.282 4.439 61 2HZ LYS 8 2HZ LYS 8 -2.673 8.056 4.474 62 3HZ LYS 8 3HZ LYS 8 -3.973 8.681 5.373 63 H ARG 9 H ARG 9 -2.197 1.942 6.966 64 HA ARG 9 HA ARG 9 -2.635 -0.402 5.542 65 1HB ARG 9 2HB ARG 9 -3.867 -0.100 7.514 66 2HB ARG 9 1HB ARG 9 -4.371 1.528 7.063 67 1HG ARG 9 2HG ARG 9 -6.077 0.768 5.680 68 2HG ARG 9 1HG ARG 9 -5.287 -0.782 5.384 69 1HD ARG 9 2HD ARG 9 -5.680 -0.960 8.074 70 2HD ARG 9 1HD ARG 9 -7.086 0.016 7.604 71 HE ARG 9 HE ARG 9 -6.415 -2.516 6.157 72 1HH1 ARG 9 1HH2 ARG 9 -8.696 -0.113 6.451 73 2HH1 ARG 9 2HH2 ARG 9 -10.050 -1.164 6.698 74 1HH2 ARG 9 1HH1 ARG 9 -8.108 -4.013 7.061 75 2HH2 ARG 9 2HH1 ARG 9 -9.717 -3.373 7.046 76 H CYS 10 H CYS 10 -4.063 -0.956 3.779 77 HA CYS 10 HA CYS 10 -4.747 1.360 1.993 78 1HB CYS 10 2HB CYS 10 -4.352 -1.233 0.676 79 2HB CYS 10 1HB CYS 10 -3.660 0.331 0.281 80 H LYS 11 H LYS 11 -6.900 1.471 1.500 81 HA LYS 11 HA LYS 11 -8.723 -0.649 2.378 82 1HB LYS 11 2HB LYS 11 -8.767 2.140 1.647 83 2HB LYS 11 1HB LYS 11 -10.001 1.280 0.724 84 1HG LYS 11 2HG LYS 11 -11.140 0.583 2.638 85 2HG LYS 11 1HG LYS 11 -9.715 0.740 3.664 86 1HD LYS 11 2HD LYS 11 -10.049 2.968 4.021 87 2HD LYS 11 1HD LYS 11 -10.645 3.244 2.383 88 1HE LYS 11 2HE LYS 11 -12.442 1.540 3.961 89 2HE LYS 11 1HE LYS 11 -12.238 3.166 4.647 90 1HZ LYS 11 1HZ LYS 11 -13.226 2.383 1.994 91 2HZ LYS 11 2HZ LYS 11 -12.399 3.858 2.154 92 3HZ LYS 11 3HZ LYS 11 -13.815 3.572 3.050 93 H ALA 12 H ALA 12 -6.832 -0.051 -0.359 94 HA ALA 12 HA ALA 12 -8.089 -2.242 -1.849 95 1HB ALA 12 1HB ALA 12 -8.616 0.587 -2.368 96 2HB ALA 12 2HB ALA 12 -9.426 -0.834 -3.025 97 3HB ALA 12 3HB ALA 12 -7.953 -0.230 -3.783 98 H ASP 13 H ASP 13 -6.480 -3.286 -2.980 99 HA ASP 13 HA ASP 13 -3.788 -2.960 -2.647 100 1HB ASP 13 2HB ASP 13 -5.214 -3.707 -5.220 101 2HB ASP 13 1HB ASP 13 -3.568 -4.178 -4.782 102 H ASN 14 H ASN 14 -5.765 -1.180 -5.019 103 HA ASN 14 HA ASN 14 -3.386 0.264 -6.022 104 1HB ASN 14 2HB ASN 14 -5.931 -0.537 -6.971 105 2HB ASN 14 1HB ASN 14 -5.919 1.227 -6.992 106 1HD2 ASN 14 1HD2 ASN 14 -5.872 -0.313 -9.419 107 2HD2 ASN 14 2HD2 ASN 14 -4.373 -0.068 -10.174 108 H ASP 15 H ASP 15 -5.243 0.670 -3.304 109 HA ASP 15 HA ASP 15 -5.894 3.478 -3.486 110 1HB ASP 15 2HB ASP 15 -6.272 1.315 -1.756 111 2HB ASP 15 1HB ASP 15 -5.516 2.581 -0.798 112 H CYS 16 H CYS 16 -2.967 1.760 -2.763 113 HA CYS 16 HA CYS 16 -1.665 3.888 -1.219 114 1HB CYS 16 2HB CYS 16 -0.627 1.482 -2.761 115 2HB CYS 16 1HB CYS 16 0.288 2.402 -1.562 116 H CYS 17 H CYS 17 0.283 5.022 -2.069 117 HA CYS 17 HA CYS 17 -0.179 6.115 -4.745 118 1HB CYS 17 2HB CYS 17 1.870 6.514 -2.554 119 2HB CYS 17 1HB CYS 17 1.941 7.384 -4.092 120 H GLY 18 H GLY 18 1.393 3.380 -3.512 121 1HA GLY 18 2HA GLY 18 3.386 3.321 -5.723 122 2HA GLY 18 1HA GLY 18 3.350 2.211 -4.346 123 H LYS 19 H LYS 19 0.216 2.483 -5.096 124 HA LYS 19 HA LYS 19 -1.324 1.129 -6.224 125 1HB LYS 19 2HB LYS 19 -0.960 1.239 -8.474 126 2HB LYS 19 1HB LYS 19 0.484 2.140 -8.034 127 1HG LYS 19 2HG LYS 19 1.530 0.553 -9.298 128 2HG LYS 19 1HG LYS 19 1.426 -0.413 -7.831 129 1HD LYS 19 2HD LYS 19 0.263 -1.911 -9.060 130 2HD LYS 19 1HD LYS 19 -1.068 -0.754 -9.017 131 1HE LYS 19 2HE LYS 19 -0.828 -0.276 -11.221 132 2HE LYS 19 1HE LYS 19 0.924 -0.056 -11.046 133 1HZ LYS 19 1HZ LYS 19 -0.593 -2.504 -11.607 134 2HZ LYS 19 2HZ LYS 19 0.829 -2.637 -10.685 135 3HZ LYS 19 3HZ LYS 19 0.886 -1.982 -12.253 136 H LYS 20 H LYS 20 0.980 0.056 -4.436 137 HA LYS 20 HA LYS 20 0.384 -2.816 -4.963 138 1HB LYS 20 2HB LYS 20 2.793 -1.466 -5.587 139 2HB LYS 20 1HB LYS 20 3.129 -2.423 -4.144 140 1HG LYS 20 2HG LYS 20 2.847 -4.413 -5.230 141 2HG LYS 20 1HG LYS 20 1.558 -3.786 -6.257 142 1HD LYS 20 2HD LYS 20 3.086 -3.708 -7.918 143 2HD LYS 20 1HD LYS 20 3.807 -2.347 -7.057 144 1HE LYS 20 2HE LYS 20 4.831 -4.504 -5.669 145 2HE LYS 20 1HE LYS 20 4.799 -5.104 -7.339 146 1HZ LYS 20 1HZ LYS 20 6.664 -3.891 -7.555 147 2HZ LYS 20 2HZ LYS 20 6.336 -2.933 -6.191 148 3HZ LYS 20 3HZ LYS 20 5.606 -2.572 -7.683 149 H CYS 21 H CYS 21 -0.923 -2.777 -3.020 150 HA CYS 21 HA CYS 21 0.210 -1.819 -0.495 151 1HB CYS 21 2HB CYS 21 -2.209 -1.756 -1.031 152 2HB CYS 21 1HB CYS 21 -2.231 -3.515 -1.181 153 H LYS 22 H LYS 22 0.294 -3.554 1.402 154 HA LYS 22 HA LYS 22 1.527 -6.055 0.298 155 1HB LYS 22 2HB LYS 22 2.640 -3.976 1.789 156 2HB LYS 22 1HB LYS 22 2.384 -5.264 2.966 157 1HG LYS 22 2HG LYS 22 3.450 -6.239 0.412 158 2HG LYS 22 1HG LYS 22 4.530 -5.106 1.226 159 1HD LYS 22 2HD LYS 22 5.122 -6.695 2.703 160 2HD LYS 22 1HD LYS 22 3.437 -6.907 3.179 161 1HE LYS 22 2HE LYS 22 4.632 -8.198 0.702 162 2HE LYS 22 1HE LYS 22 4.508 -9.014 2.273 163 1HZ LYS 22 1HZ LYS 22 2.209 -8.885 2.259 164 2HZ LYS 22 2HZ LYS 22 2.555 -9.231 0.633 165 3HZ LYS 22 3HZ LYS 22 2.171 -7.644 1.104 166 H ARG 23 H ARG 23 -0.435 -7.264 0.523 167 HA ARG 23 HA ARG 23 -1.833 -7.570 3.089 168 1HB ARG 23 2HB ARG 23 -2.806 -7.753 0.764 169 2HB ARG 23 1HB ARG 23 -1.889 -9.250 0.576 170 1HG ARG 23 2HG ARG 23 -3.190 -9.489 3.056 171 2HG ARG 23 1HG ARG 23 -4.395 -8.817 1.958 172 1HD ARG 23 2HD ARG 23 -3.728 -10.640 0.296 173 2HD ARG 23 1HD ARG 23 -2.825 -11.387 1.630 174 HE ARG 23 HE ARG 23 -5.753 -10.778 1.812 175 1HH1 ARG 23 1HH1 ARG 23 -3.331 -11.872 3.743 176 2HH1 ARG 23 2HH1 ARG 23 -4.013 -13.430 4.071 177 1HH2 ARG 23 1HH2 ARG 23 -6.492 -13.145 1.664 178 2HH2 ARG 23 2HH2 ARG 23 -5.803 -14.149 2.896 179 H ARG 24 H ARG 24 -1.693 -9.492 4.415 180 HA ARG 24 HA ARG 24 0.924 -10.823 4.321 181 1HB ARG 24 2HB ARG 24 -0.009 -11.931 6.394 182 2HB ARG 24 1HB ARG 24 -0.010 -10.170 6.458 183 1HG ARG 24 2HG ARG 24 -2.345 -10.050 6.034 184 2HG ARG 24 1HG ARG 24 -2.418 -11.736 5.520 185 1HD ARG 24 2HD ARG 24 -1.438 -12.078 8.026 186 2HD ARG 24 1HD ARG 24 -2.389 -10.600 8.268 187 HE ARG 24 HE ARG 24 -3.646 -12.890 6.835 188 1HH1 ARG 24 1HH2 ARG 24 -5.359 -10.617 7.521 189 2HH1 ARG 24 2HH2 ARG 24 -6.052 -11.077 9.039 190 1HH2 ARG 24 1HH1 ARG 24 -3.705 -13.550 9.668 191 2HH2 ARG 24 2HH1 ARG 24 -5.116 -12.734 10.254 192 H GLY 25 H GLY 25 -0.363 -11.426 1.989 193 1HA GLY 25 2HA GLY 25 -0.380 -14.276 1.936 194 2HA GLY 25 1HA GLY 25 -2.050 -13.701 1.942 195 H THR 26 H THR 26 -2.887 -13.396 -0.065 196 HA THR 26 HA THR 26 -1.017 -12.996 -2.350 197 HB THR 26 HB THR 26 -2.877 -13.851 -3.645 198 HG1 THR 26 1HG THR 26 -4.874 -13.831 -2.916 199 1HG2 THR 26 1HG2 THR 26 -2.581 -15.971 -2.932 200 2HG2 THR 26 2HG2 THR 26 -3.327 -15.626 -1.372 201 3HG2 THR 26 3HG2 THR 26 -1.619 -15.271 -1.630 202 H ASN 27 H ASN 27 -1.226 -10.697 -0.894 203 HA ASN 27 HA ASN 27 -1.831 -8.425 -1.052 204 1HB ASN 27 2HB ASN 27 -1.383 -7.900 -3.190 205 2HB ASN 27 1HB ASN 27 -1.595 -9.588 -3.633 206 1HD2 ASN 27 1HD2 ASN 27 -4.222 -10.109 -3.633 207 2HD2 ASN 27 2HD2 ASN 27 -5.114 -9.000 -4.559 208 H ALA 28 H ALA 28 -3.696 -7.041 -0.936 209 HA ALA 28 HA ALA 28 -6.358 -7.723 -1.596 210 1HB ALA 28 1HB ALA 28 -6.281 -8.202 1.280 211 2HB ALA 28 2HB ALA 28 -5.302 -9.374 0.398 212 3HB ALA 28 3HB ALA 28 -7.012 -9.181 0.009 213 H GLU 29 H GLU 29 -4.694 -6.558 1.338 214 HA GLU 29 HA GLU 29 -5.037 -3.794 0.937 215 1HB GLU 29 2HB GLU 29 -7.134 -3.510 2.402 216 2HB GLU 29 1HB GLU 29 -7.389 -4.098 0.763 217 1HG GLU 29 2HG GLU 29 -7.605 -6.372 1.534 218 2HG GLU 29 1HG GLU 29 -7.079 -5.927 3.158 219 H LYS 30 H LYS 30 -2.999 -4.999 2.256 220 HA LYS 30 HA LYS 30 -3.556 -4.891 5.164 221 1HB LYS 30 2HB LYS 30 -1.590 -6.058 3.404 222 2HB LYS 30 1HB LYS 30 -0.916 -5.362 4.874 223 1HG LYS 30 2HG LYS 30 -1.606 -7.774 5.138 224 2HG LYS 30 1HG LYS 30 -2.376 -6.667 6.274 225 1HD LYS 30 2HD LYS 30 -4.347 -6.537 4.739 226 2HD LYS 30 1HD LYS 30 -3.590 -7.763 3.723 227 1HE LYS 30 2HE LYS 30 -4.280 -9.426 5.104 228 2HE LYS 30 1HE LYS 30 -3.631 -8.583 6.527 229 1HZ LYS 30 1HZ LYS 30 -5.571 -7.026 6.283 230 2HZ LYS 30 2HZ LYS 30 -5.965 -8.599 6.791 231 3HZ LYS 30 3HZ LYS 30 -6.234 -8.131 5.179 232 H ARG 31 H ARG 31 -0.494 -3.959 3.746 233 HA ARG 31 HA ARG 31 -0.994 -1.117 4.578 234 1HB ARG 31 2HB ARG 31 0.806 -3.142 5.672 235 2HB ARG 31 1HB ARG 31 1.670 -1.682 5.188 236 1HG ARG 31 2HG ARG 31 -0.248 -0.422 6.425 237 2HG ARG 31 1HG ARG 31 -0.548 -1.977 7.201 238 1HD ARG 31 2HD ARG 31 2.268 -1.550 7.282 239 2HD ARG 31 1HD ARG 31 1.488 -0.056 7.839 240 HE ARG 31 HE ARG 31 0.543 -2.671 8.917 241 1HH1 ARG 31 1HH2 ARG 31 2.607 0.006 9.379 242 2HH1 ARG 31 2HH2 ARG 31 2.231 0.198 11.059 243 1HH2 ARG 31 1HH1 ARG 31 -0.222 -2.252 11.062 244 2HH2 ARG 31 2HH1 ARG 31 0.629 -1.080 12.011 245 H CYS 32 H CYS 32 -0.078 0.399 3.196 246 HA CYS 32 HA CYS 32 0.686 -0.319 0.547 247 1HB CYS 32 2HB CYS 32 1.262 2.155 2.213 248 2HB CYS 32 1HB CYS 32 1.399 2.073 0.453 249 H ARG 33 H ARG 33 2.586 -1.230 -0.153 250 HA ARG 33 HA ARG 33 5.150 -0.408 1.087 251 1HB ARG 33 2HB ARG 33 4.164 -3.275 1.012 252 2HB ARG 33 1HB ARG 33 5.740 -2.744 1.598 253 1HG ARG 33 2HG ARG 33 4.582 -1.329 3.303 254 2HG ARG 33 1HG ARG 33 3.048 -2.007 2.771 255 1HD ARG 33 2HD ARG 33 4.454 -4.299 3.177 256 2HD ARG 33 1HD ARG 33 5.168 -3.251 4.417 257 HE ARG 33 HE ARG 33 2.203 -3.311 4.178 258 1HH1 ARG 33 1HH2 ARG 33 4.376 -2.371 6.354 259 2HH1 ARG 33 2HH2 ARG 33 3.923 -3.443 7.635 260 1HH2 ARG 33 1HH1 ARG 33 1.918 -5.431 5.625 261 2HH2 ARG 33 2HH1 ARG 33 2.533 -5.175 7.224 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -2.719 14.699 -8.445 2 2H GLY 1 2HT GLY 1 -3.519 13.218 -8.677 3 3H GLY 1 3HT GLY 1 -2.027 13.508 -9.436 4 1HA GLY 1 2HA GLY 1 -1.339 12.219 -7.698 5 2HA GLY 1 1HA GLY 1 -1.187 13.836 -7.007 6 H ASP 2 H ASP 2 -3.201 10.945 -7.101 7 HA ASP 2 HA ASP 2 -4.397 11.791 -4.492 8 1HB ASP 2 2HB ASP 2 -5.915 12.300 -6.404 9 2HB ASP 2 1HB ASP 2 -5.860 10.601 -6.871 10 H CYS 3 H CYS 3 -3.252 10.224 -3.287 11 HA CYS 3 HA CYS 3 -4.185 7.461 -3.512 12 1HB CYS 3 2HB CYS 3 -1.825 6.620 -3.911 13 2HB CYS 3 1HB CYS 3 -2.557 7.447 -5.289 14 H LEU 4 H LEU 4 -3.026 6.080 -1.795 15 HA LEU 4 HA LEU 4 -2.655 7.724 0.639 16 1HB LEU 4 2HB LEU 4 -2.658 4.708 0.274 17 2HB LEU 4 1HB LEU 4 -2.924 5.589 1.772 18 HG LEU 4 HG LEU 4 -4.734 6.368 -0.419 19 1HD1 LEU 4 1HD1 LEU 4 -5.612 4.352 -0.922 20 2HD1 LEU 4 2HD1 LEU 4 -5.745 3.932 0.786 21 3HD1 LEU 4 3HD1 LEU 4 -4.245 3.616 -0.085 22 1HD2 LEU 4 1HD2 LEU 4 -5.028 5.559 2.487 23 2HD2 LEU 4 2HD2 LEU 4 -6.377 6.073 1.475 24 3HD2 LEU 4 3HD2 LEU 4 -5.065 7.196 1.832 25 HA PRO 5 HA PRO 5 1.714 7.488 0.837 26 1HB PRO 5 2HB PRO 5 2.169 6.696 3.426 27 2HB PRO 5 1HB PRO 5 1.608 8.328 2.994 28 1HG PRO 5 2HG PRO 5 -0.001 5.955 3.863 29 2HG PRO 5 1HG PRO 5 -0.076 7.626 4.451 30 1HD PRO 5 2HD PRO 5 -1.859 6.748 2.705 31 2HD PRO 5 1HD PRO 5 -1.171 8.381 2.532 32 H HIS 6 H HIS 6 3.542 5.950 1.056 33 HA HIS 6 HA HIS 6 2.758 3.249 0.413 34 1HB HIS 6 2HB HIS 6 4.412 4.289 -0.969 35 2HB HIS 6 1HB HIS 6 5.336 4.810 0.440 36 HD1 HIS 6 1HD HIS 6 7.483 3.524 -0.066 37 HD2 HIS 6 2HD HIS 6 4.112 1.073 -0.005 38 HE1 HIS 6 1HE HIS 6 8.331 1.140 -0.109 39 H LEU 7 H LEU 7 2.314 4.065 3.144 40 HA LEU 7 HA LEU 7 3.657 1.909 4.483 41 1HB LEU 7 2HB LEU 7 4.539 4.695 4.643 42 2HB LEU 7 1HB LEU 7 4.294 3.947 6.222 43 HG LEU 7 HG LEU 7 6.064 2.939 3.981 44 1HD1 LEU 7 1HD1 LEU 7 6.441 4.401 6.517 45 2HD1 LEU 7 2HD1 LEU 7 7.470 4.343 5.086 46 3HD1 LEU 7 3HD1 LEU 7 7.540 3.043 6.276 47 1HD2 LEU 7 1HD2 LEU 7 6.474 1.389 6.273 48 2HD2 LEU 7 2HD2 LEU 7 5.647 0.872 4.804 49 3HD2 LEU 7 3HD2 LEU 7 4.719 1.528 6.152 50 H LYS 8 H LYS 8 0.873 3.317 3.990 51 HA LYS 8 HA LYS 8 -0.011 3.115 6.853 52 1HB LYS 8 2HB LYS 8 -0.124 5.396 5.832 53 2HB LYS 8 1HB LYS 8 -1.189 4.749 4.582 54 1HG LYS 8 2HG LYS 8 -2.956 4.420 6.052 55 2HG LYS 8 1HG LYS 8 -1.896 4.282 7.455 56 1HD LYS 8 2HD LYS 8 -1.547 6.625 7.562 57 2HD LYS 8 1HD LYS 8 -2.180 6.874 5.934 58 1HE LYS 8 2HE LYS 8 -4.427 6.065 6.754 59 2HE LYS 8 1HE LYS 8 -3.759 6.067 8.399 60 1HZ LYS 8 1HZ LYS 8 -4.091 8.349 6.548 61 2HZ LYS 8 2HZ LYS 8 -2.981 8.411 7.832 62 3HZ LYS 8 3HZ LYS 8 -4.636 8.200 8.147 63 H ARG 9 H ARG 9 -1.825 1.804 7.235 64 HA ARG 9 HA ARG 9 -2.423 -0.400 5.681 65 1HB ARG 9 2HB ARG 9 -3.495 1.001 7.921 66 2HB ARG 9 1HB ARG 9 -4.850 0.591 6.869 67 1HG ARG 9 2HG ARG 9 -2.848 -1.558 7.272 68 2HG ARG 9 1HG ARG 9 -3.806 -1.131 8.690 69 1HD ARG 9 2HD ARG 9 -5.869 -1.601 7.555 70 2HD ARG 9 1HD ARG 9 -5.051 -1.709 5.983 71 HE ARG 9 HE ARG 9 -3.918 -3.753 6.801 72 1HH1 ARG 9 1HH2 ARG 9 -4.429 -3.119 9.754 73 2HH1 ARG 9 2HH2 ARG 9 -5.633 -4.303 10.139 74 1HH2 ARG 9 1HH1 ARG 9 -6.377 -5.010 6.828 75 2HH2 ARG 9 2HH1 ARG 9 -6.736 -5.373 8.483 76 H CYS 10 H CYS 10 -3.455 -0.717 3.734 77 HA CYS 10 HA CYS 10 -4.743 1.667 2.466 78 1HB CYS 10 2HB CYS 10 -4.187 0.553 0.393 79 2HB CYS 10 1HB CYS 10 -2.776 0.452 1.445 80 H LYS 11 H LYS 11 -6.627 1.087 0.976 81 HA LYS 11 HA LYS 11 -8.474 -0.766 2.417 82 1HB LYS 11 2HB LYS 11 -9.152 1.207 0.226 83 2HB LYS 11 1HB LYS 11 -10.200 0.593 1.505 84 1HG LYS 11 2HG LYS 11 -8.984 1.838 3.186 85 2HG LYS 11 1HG LYS 11 -7.765 2.324 2.008 86 1HD LYS 11 2HD LYS 11 -9.007 4.130 1.505 87 2HD LYS 11 1HD LYS 11 -10.287 3.061 0.931 88 1HE LYS 11 2HE LYS 11 -10.252 3.153 3.838 89 2HE LYS 11 1HE LYS 11 -10.447 4.774 3.142 90 1HZ LYS 11 1HZ LYS 11 -12.354 4.201 2.079 91 2HZ LYS 11 2HZ LYS 11 -12.479 3.120 3.383 92 3HZ LYS 11 3HZ LYS 11 -11.902 2.579 1.880 93 H ALA 12 H ALA 12 -6.746 -0.302 -0.555 94 HA ALA 12 HA ALA 12 -7.610 -2.947 -1.528 95 1HB ALA 12 1HB ALA 12 -8.003 -0.508 -3.272 96 2HB ALA 12 2HB ALA 12 -9.285 -1.100 -2.215 97 3HB ALA 12 3HB ALA 12 -8.659 -2.129 -3.503 98 H ASP 13 H ASP 13 -6.273 -3.584 -3.443 99 HA ASP 13 HA ASP 13 -3.542 -3.130 -3.176 100 1HB ASP 13 2HB ASP 13 -5.073 -3.672 -5.740 101 2HB ASP 13 1HB ASP 13 -3.401 -4.134 -5.397 102 H ASN 14 H ASN 14 -5.748 -1.483 -5.479 103 HA ASN 14 HA ASN 14 -3.615 0.427 -6.215 104 1HB ASN 14 2HB ASN 14 -6.389 -0.281 -7.128 105 2HB ASN 14 1HB ASN 14 -5.653 1.230 -7.666 106 1HD2 ASN 14 1HD2 ASN 14 -3.499 -1.449 -7.006 107 2HD2 ASN 14 2HD2 ASN 14 -3.165 -1.834 -8.626 108 H ASP 15 H ASP 15 -4.114 0.865 -3.559 109 HA ASP 15 HA ASP 15 -5.856 3.300 -3.528 110 1HB ASP 15 2HB ASP 15 -5.868 0.957 -2.002 111 2HB ASP 15 1HB ASP 15 -5.313 2.224 -0.925 112 H CYS 16 H CYS 16 -2.785 1.870 -2.703 113 HA CYS 16 HA CYS 16 -1.739 4.125 -1.154 114 1HB CYS 16 2HB CYS 16 -0.431 1.782 -2.580 115 2HB CYS 16 1HB CYS 16 0.309 2.764 -1.312 116 H CYS 17 H CYS 17 0.373 5.162 -1.994 117 HA CYS 17 HA CYS 17 -0.123 6.342 -4.625 118 1HB CYS 17 2HB CYS 17 1.993 6.587 -2.478 119 2HB CYS 17 1HB CYS 17 2.110 7.457 -4.011 120 H GLY 18 H GLY 18 1.392 3.519 -3.467 121 1HA GLY 18 2HA GLY 18 3.261 3.406 -5.786 122 2HA GLY 18 1HA GLY 18 3.271 2.302 -4.405 123 H LYS 19 H LYS 19 0.119 2.583 -4.878 124 HA LYS 19 HA LYS 19 -1.513 1.223 -5.895 125 1HB LYS 19 2HB LYS 19 0.606 1.745 -7.928 126 2HB LYS 19 1HB LYS 19 -0.544 0.462 -8.303 127 1HG LYS 19 2HG LYS 19 -2.077 2.598 -7.264 128 2HG LYS 19 1HG LYS 19 -0.936 3.323 -8.396 129 1HD LYS 19 2HD LYS 19 -2.450 0.836 -9.161 130 2HD LYS 19 1HD LYS 19 -3.205 2.424 -9.320 131 1HE LYS 19 2HE LYS 19 -1.750 3.098 -11.002 132 2HE LYS 19 1HE LYS 19 -0.440 2.050 -10.425 133 1HZ LYS 19 1HZ LYS 19 -1.891 0.128 -11.015 134 2HZ LYS 19 2HZ LYS 19 -1.355 1.028 -12.353 135 3HZ LYS 19 3HZ LYS 19 -2.944 1.213 -11.781 136 H LYS 20 H LYS 20 1.009 0.157 -4.413 137 HA LYS 20 HA LYS 20 0.506 -2.712 -5.072 138 1HB LYS 20 2HB LYS 20 2.940 -1.107 -5.339 139 2HB LYS 20 1HB LYS 20 3.187 -2.538 -4.336 140 1HG LYS 20 2HG LYS 20 1.947 -3.826 -6.202 141 2HG LYS 20 1HG LYS 20 2.235 -2.398 -7.197 142 1HD LYS 20 2HD LYS 20 4.057 -3.945 -7.575 143 2HD LYS 20 1HD LYS 20 4.684 -2.592 -6.632 144 1HE LYS 20 2HE LYS 20 4.752 -3.861 -4.634 145 2HE LYS 20 1HE LYS 20 3.651 -5.095 -5.279 146 1HZ LYS 20 1HZ LYS 20 6.495 -4.787 -5.680 147 2HZ LYS 20 2HZ LYS 20 5.628 -5.043 -7.119 148 3HZ LYS 20 3HZ LYS 20 5.524 -6.167 -5.847 149 H CYS 21 H CYS 21 -0.866 -2.533 -3.104 150 HA CYS 21 HA CYS 21 0.391 -1.857 -0.558 151 1HB CYS 21 2HB CYS 21 -2.060 -1.639 -1.298 152 2HB CYS 21 1HB CYS 21 -2.184 -3.384 -1.060 153 H LYS 22 H LYS 22 -0.013 -3.840 1.228 154 HA LYS 22 HA LYS 22 0.796 -6.418 -0.042 155 1HB LYS 22 2HB LYS 22 2.633 -4.626 0.859 156 2HB LYS 22 1HB LYS 22 2.375 -5.589 2.314 157 1HG LYS 22 2HG LYS 22 4.185 -6.550 0.941 158 2HG LYS 22 1HG LYS 22 2.809 -7.651 1.028 159 1HD LYS 22 2HD LYS 22 2.234 -7.335 -1.180 160 2HD LYS 22 1HD LYS 22 2.842 -5.680 -1.210 161 1HE LYS 22 2HE LYS 22 4.279 -7.195 -2.565 162 2HE LYS 22 1HE LYS 22 5.174 -6.545 -1.177 163 1HZ LYS 22 1HZ LYS 22 3.616 -9.023 -0.873 164 2HZ LYS 22 2HZ LYS 22 4.986 -8.502 -0.013 165 3HZ LYS 22 3HZ LYS 22 5.150 -9.096 -1.596 166 H ARG 23 H ARG 23 -0.720 -7.796 0.754 167 HA ARG 23 HA ARG 23 -1.557 -7.659 3.613 168 1HB ARG 23 2HB ARG 23 -3.479 -7.609 2.330 169 2HB ARG 23 1HB ARG 23 -2.756 -8.542 1.026 170 1HG ARG 23 2HG ARG 23 -3.457 -10.515 1.906 171 2HG ARG 23 1HG ARG 23 -2.981 -10.055 3.537 172 1HD ARG 23 2HD ARG 23 -5.083 -9.378 4.081 173 2HD ARG 23 1HD ARG 23 -5.321 -8.576 2.519 174 HE ARG 23 HE ARG 23 -5.318 -11.209 1.794 175 1HH1 ARG 23 1HH2 ARG 23 -6.133 -11.914 4.583 176 2HH1 ARG 23 2HH2 ARG 23 -7.862 -11.856 4.487 177 1HH2 ARG 23 1HH1 ARG 23 -7.898 -10.056 1.521 178 2HH2 ARG 23 2HH1 ARG 23 -8.862 -10.803 2.752 179 H ARG 24 H ARG 24 -1.456 -9.524 4.901 180 HA ARG 24 HA ARG 24 0.686 -11.406 4.205 181 1HB ARG 24 2HB ARG 24 -0.470 -10.346 6.507 182 2HB ARG 24 1HB ARG 24 -1.005 -12.027 6.517 183 1HG ARG 24 2HG ARG 24 1.025 -12.476 7.423 184 2HG ARG 24 1HG ARG 24 1.639 -12.265 5.782 185 1HD ARG 24 2HD ARG 24 1.644 -9.691 6.478 186 2HD ARG 24 1HD ARG 24 1.782 -10.382 8.107 187 HE ARG 24 HE ARG 24 3.696 -10.907 5.874 188 1HH1 ARG 24 1HH2 ARG 24 3.617 -9.675 8.910 189 2HH1 ARG 24 2HH2 ARG 24 4.786 -10.746 9.605 190 1HH2 ARG 24 1HH1 ARG 24 4.847 -12.885 6.879 191 2HH2 ARG 24 2HH1 ARG 24 5.482 -12.561 8.459 192 H GLY 25 H GLY 25 -1.161 -11.729 2.245 193 1HA GLY 25 2HA GLY 25 -1.816 -14.471 2.263 194 2HA GLY 25 1HA GLY 25 -3.267 -13.602 2.768 195 H THR 26 H THR 26 -1.164 -14.319 0.102 196 HA THR 26 HA THR 26 -1.227 -13.635 -2.169 197 HB THR 26 HB THR 26 -3.017 -15.357 -1.782 198 HG1 THR 26 1HG THR 26 -3.624 -15.121 -3.795 199 1HG2 THR 26 1HG2 THR 26 -4.694 -12.860 -1.456 200 2HG2 THR 26 2HG2 THR 26 -4.511 -14.193 -0.315 201 3HG2 THR 26 3HG2 THR 26 -5.388 -14.440 -1.824 202 H ASN 27 H ASN 27 -1.241 -11.402 -0.390 203 HA ASN 27 HA ASN 27 -1.676 -9.076 -0.402 204 1HB ASN 27 2HB ASN 27 -1.896 -10.045 -3.238 205 2HB ASN 27 1HB ASN 27 -2.221 -8.348 -2.874 206 1HD2 ASN 27 1HD2 ASN 27 0.138 -10.311 -1.068 207 2HD2 ASN 27 2HD2 ASN 27 1.505 -9.461 -1.601 208 H ALA 28 H ALA 28 -3.454 -7.448 -0.686 209 HA ALA 28 HA ALA 28 -6.056 -7.947 -1.624 210 1HB ALA 28 1HB ALA 28 -6.589 -8.433 1.136 211 2HB ALA 28 2HB ALA 28 -5.320 -9.551 0.638 212 3HB ALA 28 3HB ALA 28 -6.858 -9.524 -0.222 213 H GLU 29 H GLU 29 -5.051 -7.014 1.666 214 HA GLU 29 HA GLU 29 -5.240 -4.165 1.161 215 1HB GLU 29 2HB GLU 29 -7.604 -4.956 0.967 216 2HB GLU 29 1HB GLU 29 -7.508 -5.554 2.623 217 1HG GLU 29 2HG GLU 29 -6.691 -2.734 2.208 218 2HG GLU 29 1HG GLU 29 -8.406 -3.080 2.002 219 H LYS 30 H LYS 30 -3.145 -4.650 2.394 220 HA LYS 30 HA LYS 30 -3.631 -4.885 5.329 221 1HB LYS 30 2HB LYS 30 -1.827 -6.105 3.535 222 2HB LYS 30 1HB LYS 30 -0.972 -5.259 4.821 223 1HG LYS 30 2HG LYS 30 -1.503 -7.566 5.527 224 2HG LYS 30 1HG LYS 30 -2.341 -6.375 6.522 225 1HD LYS 30 2HD LYS 30 -4.308 -6.645 4.884 226 2HD LYS 30 1HD LYS 30 -3.476 -8.091 4.315 227 1HE LYS 30 2HE LYS 30 -4.572 -9.157 6.010 228 2HE LYS 30 1HE LYS 30 -3.386 -8.376 7.075 229 1HZ LYS 30 1HZ LYS 30 -6.135 -7.568 6.451 230 2HZ LYS 30 2HZ LYS 30 -4.989 -6.350 6.752 231 3HZ LYS 30 3HZ LYS 30 -5.314 -7.527 7.934 232 H ARG 31 H ARG 31 -0.700 -3.872 3.722 233 HA ARG 31 HA ARG 31 -1.152 -1.035 4.515 234 1HB ARG 31 2HB ARG 31 0.560 -3.017 5.791 235 2HB ARG 31 1HB ARG 31 1.498 -1.637 5.217 236 1HG ARG 31 2HG ARG 31 0.266 -0.102 6.517 237 2HG ARG 31 1HG ARG 31 -1.066 -1.234 6.751 238 1HD ARG 31 2HD ARG 31 1.340 -2.439 7.767 239 2HD ARG 31 1HD ARG 31 1.156 -0.822 8.475 240 HE ARG 31 HE ARG 31 -1.364 -1.693 8.734 241 1HH1 ARG 31 1HH2 ARG 31 -0.628 -4.522 8.255 242 2HH1 ARG 31 2HH2 ARG 31 -0.270 -5.099 9.849 243 1HH2 ARG 31 1HH1 ARG 31 0.067 -1.927 11.208 244 2HH2 ARG 31 2HH1 ARG 31 0.123 -3.630 11.520 245 H CYS 32 H CYS 32 0.047 0.421 3.219 246 HA CYS 32 HA CYS 32 0.715 -0.429 0.571 247 1HB CYS 32 2HB CYS 32 1.576 2.039 2.117 248 2HB CYS 32 1HB CYS 32 1.509 1.883 0.358 249 H ARG 33 H ARG 33 2.544 -1.516 -0.101 250 HA ARG 33 HA ARG 33 5.131 -0.904 1.263 251 1HB ARG 33 2HB ARG 33 4.245 -3.729 0.634 252 2HB ARG 33 1HB ARG 33 5.571 -3.213 1.675 253 1HG ARG 33 2HG ARG 33 3.528 -1.977 2.931 254 2HG ARG 33 1HG ARG 33 2.657 -3.349 2.248 255 1HD ARG 33 2HD ARG 33 4.278 -4.903 3.289 256 2HD ARG 33 1HD ARG 33 5.139 -3.518 3.994 257 HE ARG 33 HE ARG 33 2.249 -3.583 4.551 258 1HH1 ARG 33 1HH1 ARG 33 3.465 -6.039 5.790 259 2HH1 ARG 33 2HH1 ARG 33 3.936 -5.457 7.352 260 1HH2 ARG 33 1HH2 ARG 33 3.717 -2.112 6.464 261 2HH2 ARG 33 2HH2 ARG 33 4.079 -3.235 7.733 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -10.731 9.713 -2.443 2 2H GLY 1 2HT GLY 1 -9.326 9.581 -1.499 3 3H GLY 1 3HT GLY 1 -9.411 8.815 -3.013 4 1HA GLY 1 2HA GLY 1 -9.538 10.960 -4.121 5 2HA GLY 1 1HA GLY 1 -9.427 11.748 -2.546 6 H ASP 2 H ASP 2 -7.413 12.013 -1.627 7 HA ASP 2 HA ASP 2 -5.064 11.818 -3.221 8 1HB ASP 2 2HB ASP 2 -5.771 13.062 -0.953 9 2HB ASP 2 1HB ASP 2 -4.916 11.696 -0.238 10 H CYS 3 H CYS 3 -3.842 10.044 -3.718 11 HA CYS 3 HA CYS 3 -4.409 7.381 -3.049 12 1HB CYS 3 2HB CYS 3 -2.212 6.937 -3.952 13 2HB CYS 3 1HB CYS 3 -2.849 8.345 -4.809 14 H LEU 4 H LEU 4 -3.179 5.889 -1.602 15 HA LEU 4 HA LEU 4 -2.597 7.174 1.006 16 1HB LEU 4 2HB LEU 4 -2.517 4.228 0.280 17 2HB LEU 4 1HB LEU 4 -2.767 4.939 1.870 18 HG LEU 4 HG LEU 4 -4.677 4.976 -0.476 19 1HD1 LEU 4 1HD1 LEU 4 -4.380 3.064 1.382 20 2HD1 LEU 4 2HD1 LEU 4 -5.961 3.512 0.742 21 3HD1 LEU 4 3HD1 LEU 4 -5.420 4.163 2.290 22 1HD2 LEU 4 1HD2 LEU 4 -6.078 6.156 1.487 23 2HD2 LEU 4 2HD2 LEU 4 -5.122 7.085 0.333 24 3HD2 LEU 4 3HD2 LEU 4 -4.468 6.723 1.930 25 HA PRO 5 HA PRO 5 1.746 7.156 0.404 26 1HB PRO 5 2HB PRO 5 2.611 6.577 2.939 27 2HB PRO 5 1HB PRO 5 1.932 8.155 2.484 28 1HG PRO 5 2HG PRO 5 0.588 5.828 3.784 29 2HG PRO 5 1HG PRO 5 0.506 7.543 4.212 30 1HD PRO 5 2HD PRO 5 -1.458 6.375 2.839 31 2HD PRO 5 1HD PRO 5 -0.949 8.041 2.472 32 H HIS 6 H HIS 6 3.733 5.660 0.936 33 HA HIS 6 HA HIS 6 2.984 2.972 0.203 34 1HB HIS 6 2HB HIS 6 4.741 4.071 -1.019 35 2HB HIS 6 1HB HIS 6 5.585 4.470 0.476 36 HD1 HIS 6 1HD HIS 6 7.708 3.118 0.109 37 HD2 HIS 6 2HD HIS 6 4.254 0.830 -0.340 38 HE1 HIS 6 1HE HIS 6 8.463 0.706 -0.056 39 H LEU 7 H LEU 7 2.370 3.773 2.924 40 HA LEU 7 HA LEU 7 3.589 1.562 4.299 41 1HB LEU 7 2HB LEU 7 4.465 4.353 4.623 42 2HB LEU 7 1HB LEU 7 4.209 3.484 6.135 43 HG LEU 7 HG LEU 7 6.056 2.717 3.860 44 1HD1 LEU 7 1HD1 LEU 7 6.428 4.256 6.152 45 2HD1 LEU 7 2HD1 LEU 7 7.698 3.505 5.187 46 3HD1 LEU 7 3HD1 LEU 7 7.053 2.670 6.598 47 1HD2 LEU 7 1HD2 LEU 7 4.914 1.109 6.125 48 2HD2 LEU 7 2HD2 LEU 7 6.570 0.799 5.599 49 3HD2 LEU 7 3HD2 LEU 7 5.234 0.616 4.461 50 H LYS 8 H LYS 8 0.926 3.574 3.914 51 HA LYS 8 HA LYS 8 -0.059 3.285 6.697 52 1HB LYS 8 2HB LYS 8 -0.778 4.767 4.216 53 2HB LYS 8 1HB LYS 8 -2.108 4.351 5.290 54 1HG LYS 8 2HG LYS 8 -0.149 5.277 7.030 55 2HG LYS 8 1HG LYS 8 -0.016 6.360 5.642 56 1HD LYS 8 2HD LYS 8 -2.570 6.564 5.748 57 2HD LYS 8 1HD LYS 8 -2.459 5.793 7.331 58 1HE LYS 8 2HE LYS 8 -1.097 7.587 8.198 59 2HE LYS 8 1HE LYS 8 -0.921 8.303 6.583 60 1HZ LYS 8 1HZ LYS 8 -3.427 8.359 6.528 61 2HZ LYS 8 2HZ LYS 8 -2.695 9.455 7.602 62 3HZ LYS 8 3HZ LYS 8 -3.398 8.026 8.191 63 H ARG 9 H ARG 9 -2.625 2.671 6.560 64 HA ARG 9 HA ARG 9 -2.671 -0.107 5.639 65 1HB ARG 9 2HB ARG 9 -3.805 0.130 7.645 66 2HB ARG 9 1HB ARG 9 -4.322 1.772 7.270 67 1HG ARG 9 2HG ARG 9 -6.273 0.324 7.275 68 2HG ARG 9 1HG ARG 9 -5.950 0.826 5.616 69 1HD ARG 9 2HD ARG 9 -6.448 -1.652 5.879 70 2HD ARG 9 1HD ARG 9 -4.881 -1.309 5.123 71 HE ARG 9 HE ARG 9 -3.917 -2.366 6.992 72 1HH1 ARG 9 1HH2 ARG 9 -7.160 -2.112 7.725 73 2HH1 ARG 9 2HH2 ARG 9 -6.955 -1.976 9.440 74 1HH2 ARG 9 1HH1 ARG 9 -3.511 -1.623 9.266 75 2HH2 ARG 9 2HH1 ARG 9 -4.889 -1.700 10.310 76 H CYS 10 H CYS 10 -3.705 -0.848 3.766 77 HA CYS 10 HA CYS 10 -5.025 1.265 2.092 78 1HB CYS 10 2HB CYS 10 -4.300 -1.016 0.531 79 2HB CYS 10 1HB CYS 10 -3.648 0.610 0.441 80 H LYS 11 H LYS 11 -7.057 0.887 1.317 81 HA LYS 11 HA LYS 11 -8.487 -1.522 2.289 82 1HB LYS 11 2HB LYS 11 -9.071 1.245 1.429 83 2HB LYS 11 1HB LYS 11 -10.265 0.061 0.898 84 1HG LYS 11 2HG LYS 11 -9.737 -0.645 3.548 85 2HG LYS 11 1HG LYS 11 -9.787 1.119 3.569 86 1HD LYS 11 2HD LYS 11 -11.904 -0.055 1.920 87 2HD LYS 11 1HD LYS 11 -12.001 -0.548 3.611 88 1HE LYS 11 2HE LYS 11 -11.466 2.129 3.879 89 2HE LYS 11 1HE LYS 11 -12.465 2.110 2.412 90 1HZ LYS 11 1HZ LYS 11 -13.105 0.947 5.063 91 2HZ LYS 11 2HZ LYS 11 -13.951 0.524 3.651 92 3HZ LYS 11 3HZ LYS 11 -13.972 2.129 4.209 93 H ALA 12 H ALA 12 -6.868 -0.388 -0.491 94 HA ALA 12 HA ALA 12 -7.760 -2.712 -2.069 95 1HB ALA 12 1HB ALA 12 -9.446 -0.891 -2.434 96 2HB ALA 12 2HB ALA 12 -8.577 -1.312 -3.911 97 3HB ALA 12 3HB ALA 12 -8.145 0.148 -3.019 98 H ASP 13 H ASP 13 -6.127 -3.324 -3.514 99 HA ASP 13 HA ASP 13 -3.487 -2.574 -3.169 100 1HB ASP 13 2HB ASP 13 -4.922 -3.498 -5.674 101 2HB ASP 13 1HB ASP 13 -3.174 -3.578 -5.434 102 H ASN 14 H ASN 14 -5.880 -0.983 -5.276 103 HA ASN 14 HA ASN 14 -3.813 0.825 -6.377 104 1HB ASN 14 2HB ASN 14 -5.891 -0.282 -7.532 105 2HB ASN 14 1HB ASN 14 -6.775 1.066 -6.817 106 1HD2 ASN 14 1HD2 ASN 14 -6.761 2.976 -8.015 107 2HD2 ASN 14 2HD2 ASN 14 -5.653 3.345 -9.246 108 H ASP 15 H ASP 15 -4.753 0.918 -3.417 109 HA ASP 15 HA ASP 15 -5.944 3.628 -3.319 110 1HB ASP 15 2HB ASP 15 -6.000 1.297 -1.773 111 2HB ASP 15 1HB ASP 15 -5.254 2.530 -0.765 112 H CYS 16 H CYS 16 -2.947 1.940 -2.589 113 HA CYS 16 HA CYS 16 -1.610 4.193 -1.275 114 1HB CYS 16 2HB CYS 16 -0.539 1.700 -2.651 115 2HB CYS 16 1HB CYS 16 0.296 2.665 -1.428 116 H CYS 17 H CYS 17 0.240 5.324 -2.266 117 HA CYS 17 HA CYS 17 -0.217 6.027 -5.063 118 1HB CYS 17 2HB CYS 17 1.117 7.061 -2.755 119 2HB CYS 17 1HB CYS 17 2.237 6.995 -4.113 120 H GLY 18 H GLY 18 1.480 3.584 -3.405 121 1HA GLY 18 2HA GLY 18 3.551 3.290 -5.493 122 2HA GLY 18 1HA GLY 18 3.334 2.238 -4.085 123 H LYS 19 H LYS 19 0.305 2.516 -4.987 124 HA LYS 19 HA LYS 19 -1.201 1.135 -6.120 125 1HB LYS 19 2HB LYS 19 -0.870 1.382 -8.366 126 2HB LYS 19 1HB LYS 19 0.571 2.276 -7.902 127 1HG LYS 19 2HG LYS 19 1.553 0.753 -9.318 128 2HG LYS 19 1HG LYS 19 1.602 -0.212 -7.847 129 1HD LYS 19 2HD LYS 19 0.516 -1.760 -9.115 130 2HD LYS 19 1HD LYS 19 -0.908 -0.786 -8.747 131 1HE LYS 19 2HE LYS 19 -1.098 -0.084 -10.901 132 2HE LYS 19 1HE LYS 19 0.640 0.260 -11.019 133 1HZ LYS 19 1HZ LYS 19 0.988 -2.197 -11.063 134 2HZ LYS 19 2HZ LYS 19 0.197 -1.582 -12.435 135 3HZ LYS 19 3HZ LYS 19 -0.689 -2.386 -11.229 136 H LYS 20 H LYS 20 1.159 0.057 -4.414 137 HA LYS 20 HA LYS 20 0.644 -2.802 -5.071 138 1HB LYS 20 2HB LYS 20 3.095 -3.204 -4.706 139 2HB LYS 20 1HB LYS 20 2.767 -2.188 -6.110 140 1HG LYS 20 2HG LYS 20 2.941 -0.355 -4.038 141 2HG LYS 20 1HG LYS 20 4.190 -1.536 -3.637 142 1HD LYS 20 2HD LYS 20 4.120 -0.852 -6.489 143 2HD LYS 20 1HD LYS 20 4.485 0.527 -5.451 144 1HE LYS 20 2HE LYS 20 6.470 -0.402 -4.686 145 2HE LYS 20 1HE LYS 20 5.895 -2.065 -4.910 146 1HZ LYS 20 1HZ LYS 20 6.583 -0.126 -7.055 147 2HZ LYS 20 2HZ LYS 20 5.881 -1.649 -7.325 148 3HZ LYS 20 3HZ LYS 20 7.440 -1.534 -6.660 149 H CYS 21 H CYS 21 -0.809 -2.470 -3.156 150 HA CYS 21 HA CYS 21 0.408 -1.850 -0.571 151 1HB CYS 21 2HB CYS 21 -1.946 -1.337 -1.073 152 2HB CYS 21 1HB CYS 21 -2.262 -3.034 -1.444 153 H LYS 22 H LYS 22 0.524 -3.594 1.187 154 HA LYS 22 HA LYS 22 0.804 -6.341 0.000 155 1HB LYS 22 2HB LYS 22 2.938 -5.008 0.458 156 2HB LYS 22 1HB LYS 22 2.551 -5.170 2.171 157 1HG LYS 22 2HG LYS 22 4.039 -6.981 1.580 158 2HG LYS 22 1HG LYS 22 2.432 -7.665 1.825 159 1HD LYS 22 2HD LYS 22 2.608 -8.562 -0.234 160 2HD LYS 22 1HD LYS 22 2.474 -6.923 -0.872 161 1HE LYS 22 2HE LYS 22 4.851 -6.659 -0.970 162 2HE LYS 22 1HE LYS 22 5.120 -8.117 0.008 163 1HZ LYS 22 1HZ LYS 22 4.366 -7.884 -2.794 164 2HZ LYS 22 2HZ LYS 22 3.579 -9.103 -1.911 165 3HZ LYS 22 3HZ LYS 22 5.275 -9.084 -2.014 166 H ARG 23 H ARG 23 -0.773 -7.581 0.956 167 HA ARG 23 HA ARG 23 -1.908 -6.974 3.535 168 1HB ARG 23 2HB ARG 23 -3.414 -8.680 2.988 169 2HB ARG 23 1HB ARG 23 -2.898 -8.112 1.411 170 1HG ARG 23 2HG ARG 23 -2.351 -10.247 0.946 171 2HG ARG 23 1HG ARG 23 -0.999 -10.042 2.059 172 1HD ARG 23 2HD ARG 23 -2.083 -11.901 2.996 173 2HD ARG 23 1HD ARG 23 -2.855 -10.578 3.892 174 HE ARG 23 HE ARG 23 -4.214 -11.088 1.384 175 1HH1 ARG 23 1HH1 ARG 23 -5.330 -10.483 4.209 176 2HH1 ARG 23 2HH1 ARG 23 -6.215 -11.941 4.511 177 1HH2 ARG 23 1HH2 ARG 23 -4.699 -13.705 1.938 178 2HH2 ARG 23 2HH2 ARG 23 -5.857 -13.766 3.224 179 H ARG 24 H ARG 24 -2.118 -9.232 4.966 180 HA ARG 24 HA ARG 24 0.612 -9.748 5.919 181 1HB ARG 24 2HB ARG 24 -1.452 -9.413 7.342 182 2HB ARG 24 1HB ARG 24 -2.049 -10.960 6.742 183 1HG ARG 24 2HG ARG 24 -0.958 -11.849 8.523 184 2HG ARG 24 1HG ARG 24 0.498 -11.616 7.554 185 1HD ARG 24 2HD ARG 24 1.225 -10.323 9.290 186 2HD ARG 24 1HD ARG 24 0.084 -9.104 8.686 187 HE ARG 24 HE ARG 24 -1.429 -10.925 10.223 188 1HH1 ARG 24 1HH2 ARG 24 1.239 -10.724 11.780 189 2HH1 ARG 24 2HH2 ARG 24 0.838 -9.485 12.922 190 1HH2 ARG 24 1HH1 ARG 24 -1.989 -8.447 11.207 191 2HH2 ARG 24 2HH1 ARG 24 -0.987 -8.197 12.597 192 H GLY 25 H GLY 25 0.493 -10.652 3.327 193 1HA GLY 25 2HA GLY 25 1.295 -13.369 3.512 194 2HA GLY 25 1HA GLY 25 -0.378 -13.339 2.953 195 H THR 26 H THR 26 -0.774 -11.787 1.036 196 HA THR 26 HA THR 26 1.602 -11.314 -0.664 197 HB THR 26 HB THR 26 1.182 -13.607 -1.156 198 HG1 THR 26 1HG THR 26 1.005 -13.331 -3.229 199 1HG2 THR 26 1HG2 THR 26 -1.186 -14.317 -1.815 200 2HG2 THR 26 2HG2 THR 26 -1.725 -12.786 -1.126 201 3HG2 THR 26 3HG2 THR 26 -0.921 -13.977 -0.104 202 H ASN 27 H ASN 27 0.802 -9.108 -0.392 203 HA ASN 27 HA ASN 27 -0.541 -7.225 -0.887 204 1HB ASN 27 2HB ASN 27 -0.818 -7.048 -3.338 205 2HB ASN 27 1HB ASN 27 0.779 -7.645 -2.887 206 1HD2 ASN 27 1HD2 ASN 27 -2.352 -8.607 -4.260 207 2HD2 ASN 27 2HD2 ASN 27 -1.817 -10.093 -4.883 208 H ALA 28 H ALA 28 -2.531 -6.958 -0.070 209 HA ALA 28 HA ALA 28 -4.856 -7.894 -1.573 210 1HB ALA 28 1HB ALA 28 -5.666 -9.447 -0.016 211 2HB ALA 28 2HB ALA 28 -4.701 -8.774 1.298 212 3HB ALA 28 3HB ALA 28 -3.930 -9.752 0.049 213 H GLU 29 H GLU 29 -3.807 -6.609 1.607 214 HA GLU 29 HA GLU 29 -4.914 -4.051 1.325 215 1HB GLU 29 2HB GLU 29 -7.073 -4.494 2.680 216 2HB GLU 29 1HB GLU 29 -7.066 -4.957 0.982 217 1HG GLU 29 2HG GLU 29 -7.460 -7.102 1.538 218 2HG GLU 29 1HG GLU 29 -6.006 -7.129 2.537 219 H LYS 30 H LYS 30 -2.675 -4.769 2.774 220 HA LYS 30 HA LYS 30 -3.642 -4.478 5.567 221 1HB LYS 30 2HB LYS 30 -1.178 -5.774 4.499 222 2HB LYS 30 1HB LYS 30 -1.300 -5.273 6.179 223 1HG LYS 30 2HG LYS 30 -3.225 -7.157 4.779 224 2HG LYS 30 1HG LYS 30 -1.975 -7.633 5.926 225 1HD LYS 30 2HD LYS 30 -4.333 -5.819 6.511 226 2HD LYS 30 1HD LYS 30 -4.137 -7.482 7.055 227 1HE LYS 30 2HE LYS 30 -1.962 -6.726 8.180 228 2HE LYS 30 1HE LYS 30 -2.511 -5.066 7.880 229 1HZ LYS 30 1HZ LYS 30 -4.540 -5.501 9.030 230 2HZ LYS 30 2HZ LYS 30 -3.267 -5.983 10.047 231 3HZ LYS 30 3HZ LYS 30 -4.169 -7.146 9.198 232 H ARG 31 H ARG 31 -0.489 -3.779 4.105 233 HA ARG 31 HA ARG 31 -0.928 -0.896 4.759 234 1HB ARG 31 2HB ARG 31 0.549 -2.707 6.277 235 2HB ARG 31 1HB ARG 31 1.770 -1.859 5.328 236 1HG ARG 31 2HG ARG 31 0.665 0.310 6.030 237 2HG ARG 31 1HG ARG 31 -0.311 -0.635 7.155 238 1HD ARG 31 2HD ARG 31 2.716 -0.785 7.143 239 2HD ARG 31 1HD ARG 31 1.822 0.374 8.146 240 HE ARG 31 HE ARG 31 0.707 -2.271 8.426 241 1HH1 ARG 31 1HH2 ARG 31 3.064 -0.017 9.510 242 2HH1 ARG 31 2HH2 ARG 31 3.505 -0.938 10.908 243 1HH2 ARG 31 1HH1 ARG 31 1.392 -3.583 10.157 244 2HH2 ARG 31 2HH1 ARG 31 2.556 -2.958 11.276 245 H CYS 32 H CYS 32 -0.226 0.420 3.115 246 HA CYS 32 HA CYS 32 0.527 -0.379 0.574 247 1HB CYS 32 2HB CYS 32 1.474 2.038 2.153 248 2HB CYS 32 1HB CYS 32 1.482 1.911 0.392 249 H ARG 33 H ARG 33 2.205 -1.736 0.014 250 HA ARG 33 HA ARG 33 4.890 -1.211 1.226 251 1HB ARG 33 2HB ARG 33 3.076 -3.443 1.548 252 2HB ARG 33 1HB ARG 33 4.597 -3.990 0.843 253 1HG ARG 33 2HG ARG 33 5.038 -4.098 3.137 254 2HG ARG 33 1HG ARG 33 5.685 -2.515 2.707 255 1HD ARG 33 2HD ARG 33 4.384 -1.917 4.545 256 2HD ARG 33 1HD ARG 33 3.167 -1.764 3.267 257 HE ARG 33 HE ARG 33 2.204 -3.856 3.965 258 1HH1 ARG 33 1HH2 ARG 33 5.384 -4.126 4.955 259 2HH1 ARG 33 2HH2 ARG 33 5.037 -4.806 6.510 260 1HH2 ARG 33 1HH1 ARG 33 1.623 -4.245 6.293 261 2HH2 ARG 33 2HH1 ARG 33 2.911 -4.871 7.266 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -5.972 13.006 -8.050 2 2H GLY 1 2HT GLY 1 -7.514 13.675 -8.297 3 3H GLY 1 3HT GLY 1 -7.106 12.188 -9.012 4 1HA GLY 1 2HA GLY 1 -8.432 12.502 -6.665 5 2HA GLY 1 1HA GLY 1 -7.625 11.028 -7.202 6 H ASP 2 H ASP 2 -6.455 10.244 -5.511 7 HA ASP 2 HA ASP 2 -4.210 11.679 -4.428 8 1HB ASP 2 2HB ASP 2 -6.037 12.983 -3.407 9 2HB ASP 2 1HB ASP 2 -6.716 11.506 -2.722 10 H CYS 3 H CYS 3 -3.118 9.676 -4.658 11 HA CYS 3 HA CYS 3 -4.175 7.172 -3.643 12 1HB CYS 3 2HB CYS 3 -1.811 6.433 -4.103 13 2HB CYS 3 1HB CYS 3 -2.579 7.243 -5.468 14 H LEU 4 H LEU 4 -2.776 5.909 -1.976 15 HA LEU 4 HA LEU 4 -2.455 7.633 0.432 16 1HB LEU 4 2HB LEU 4 -2.621 4.630 -0.001 17 2HB LEU 4 1HB LEU 4 -2.587 5.418 1.575 18 HG LEU 4 HG LEU 4 -4.625 6.406 -0.352 19 1HD1 LEU 4 1HD1 LEU 4 -5.465 4.351 -0.759 20 2HD1 LEU 4 2HD1 LEU 4 -5.921 4.310 0.943 21 3HD1 LEU 4 3HD1 LEU 4 -4.393 3.600 0.422 22 1HD2 LEU 4 1HD2 LEU 4 -4.528 7.373 1.858 23 2HD2 LEU 4 2HD2 LEU 4 -4.522 5.778 2.610 24 3HD2 LEU 4 3HD2 LEU 4 -5.971 6.359 1.790 25 HA PRO 5 HA PRO 5 1.927 7.282 0.603 26 1HB PRO 5 2HB PRO 5 2.381 6.612 3.222 27 2HB PRO 5 1HB PRO 5 1.848 8.233 2.721 28 1HG PRO 5 2HG PRO 5 0.209 5.940 3.729 29 2HG PRO 5 1HG PRO 5 0.162 7.643 4.217 30 1HD PRO 5 2HD PRO 5 -1.642 6.660 2.535 31 2HD PRO 5 1HD PRO 5 -0.976 8.292 2.296 32 H HIS 6 H HIS 6 3.728 5.666 0.999 33 HA HIS 6 HA HIS 6 2.804 2.976 0.482 34 1HB HIS 6 2HB HIS 6 4.886 2.674 -0.500 35 2HB HIS 6 1HB HIS 6 4.728 4.422 -0.632 36 HD1 HIS 6 1HD HIS 6 6.273 5.873 0.831 37 HD2 HIS 6 2HD HIS 6 6.699 1.795 1.547 38 HE1 HIS 6 1HE HIS 6 8.343 5.601 2.261 39 H LEU 7 H LEU 7 2.413 4.058 3.122 40 HA LEU 7 HA LEU 7 3.533 1.914 4.679 41 1HB LEU 7 2HB LEU 7 4.964 4.271 4.408 42 2HB LEU 7 1HB LEU 7 4.125 4.482 5.945 43 HG LEU 7 HG LEU 7 6.308 3.396 6.276 44 1HD1 LEU 7 1HD1 LEU 7 3.878 2.611 7.317 45 2HD1 LEU 7 2HD1 LEU 7 5.450 2.079 7.914 46 3HD1 LEU 7 3HD1 LEU 7 4.561 1.082 6.764 47 1HD2 LEU 7 1HD2 LEU 7 5.202 1.075 4.680 48 2HD2 LEU 7 2HD2 LEU 7 6.847 1.284 5.287 49 3HD2 LEU 7 3HD2 LEU 7 6.256 2.298 3.969 50 H LYS 8 H LYS 8 0.885 2.337 4.163 51 HA LYS 8 HA LYS 8 -0.192 2.934 6.845 52 1HB LYS 8 2HB LYS 8 -0.126 5.137 5.842 53 2HB LYS 8 1HB LYS 8 -0.830 4.526 4.345 54 1HG LYS 8 2HG LYS 8 -2.948 4.486 5.199 55 2HG LYS 8 1HG LYS 8 -2.398 4.004 6.805 56 1HD LYS 8 2HD LYS 8 -3.229 6.234 7.039 57 2HD LYS 8 1HD LYS 8 -1.470 6.366 7.053 58 1HE LYS 8 2HE LYS 8 -1.671 7.853 5.350 59 2HE LYS 8 1HE LYS 8 -2.202 6.500 4.330 60 1HZ LYS 8 1HZ LYS 8 -3.874 8.305 5.982 61 2HZ LYS 8 2HZ LYS 8 -4.449 6.814 5.406 62 3HZ LYS 8 3HZ LYS 8 -3.976 8.026 4.312 63 H ARG 9 H ARG 9 -1.926 1.582 7.213 64 HA ARG 9 HA ARG 9 -2.657 -0.558 5.620 65 1HB ARG 9 2HB ARG 9 -3.358 0.391 8.030 66 2HB ARG 9 1HB ARG 9 -4.808 0.854 7.138 67 1HG ARG 9 2HG ARG 9 -3.673 -1.934 6.939 68 2HG ARG 9 1HG ARG 9 -4.786 -1.487 8.233 69 1HD ARG 9 2HD ARG 9 -6.581 -1.232 6.788 70 2HD ARG 9 1HD ARG 9 -5.546 -0.774 5.421 71 HE ARG 9 HE ARG 9 -4.782 -3.197 5.401 72 1HH1 ARG 9 1HH2 ARG 9 -7.858 -2.532 4.902 73 2HH1 ARG 9 2HH2 ARG 9 -8.550 -3.953 5.609 74 1HH2 ARG 9 1HH1 ARG 9 -5.612 -4.925 7.174 75 2HH2 ARG 9 2HH1 ARG 9 -7.279 -5.309 6.897 76 H CYS 10 H CYS 10 -3.995 -0.868 3.835 77 HA CYS 10 HA CYS 10 -5.403 1.560 2.773 78 1HB CYS 10 2HB CYS 10 -4.717 0.856 0.577 79 2HB CYS 10 1HB CYS 10 -3.295 0.775 1.609 80 H LYS 11 H LYS 11 -7.370 1.126 1.580 81 HA LYS 11 HA LYS 11 -8.853 -1.214 2.615 82 1HB LYS 11 2HB LYS 11 -9.571 1.246 0.988 83 2HB LYS 11 1HB LYS 11 -10.749 0.043 1.511 84 1HG LYS 11 2HG LYS 11 -9.098 0.844 3.743 85 2HG LYS 11 1HG LYS 11 -9.819 2.262 2.983 86 1HD LYS 11 2HD LYS 11 -11.993 1.559 3.414 87 2HD LYS 11 1HD LYS 11 -11.538 -0.143 3.479 88 1HE LYS 11 2HE LYS 11 -10.090 0.792 5.580 89 2HE LYS 11 1HE LYS 11 -11.474 1.903 5.631 90 1HZ LYS 11 1HZ LYS 11 -11.604 -0.488 6.705 91 2HZ LYS 11 2HZ LYS 11 -12.010 -0.926 5.115 92 3HZ LYS 11 3HZ LYS 11 -12.948 0.218 5.950 93 H ALA 12 H ALA 12 -7.049 -0.396 -0.151 94 HA ALA 12 HA ALA 12 -7.947 -2.829 -1.550 95 1HB ALA 12 1HB ALA 12 -9.171 -0.354 -2.038 96 2HB ALA 12 2HB ALA 12 -9.259 -1.780 -3.071 97 3HB ALA 12 3HB ALA 12 -8.030 -0.552 -3.367 98 H ASP 13 H ASP 13 -6.506 -3.323 -3.380 99 HA ASP 13 HA ASP 13 -3.772 -2.806 -2.870 100 1HB ASP 13 2HB ASP 13 -5.005 -3.577 -5.524 101 2HB ASP 13 1HB ASP 13 -3.428 -4.052 -4.890 102 H ASN 14 H ASN 14 -6.081 -1.202 -5.039 103 HA ASN 14 HA ASN 14 -3.968 0.542 -6.156 104 1HB ASN 14 2HB ASN 14 -5.801 -0.431 -7.525 105 2HB ASN 14 1HB ASN 14 -6.975 0.462 -6.555 106 1HD2 ASN 14 1HD2 ASN 14 -7.600 2.379 -7.544 107 2HD2 ASN 14 2HD2 ASN 14 -6.616 3.332 -8.545 108 H ASP 15 H ASP 15 -4.451 0.806 -3.294 109 HA ASP 15 HA ASP 15 -5.785 3.471 -3.144 110 1HB ASP 15 2HB ASP 15 -5.937 1.109 -1.664 111 2HB ASP 15 1HB ASP 15 -5.162 2.275 -0.607 112 H CYS 16 H CYS 16 -2.782 1.797 -2.826 113 HA CYS 16 HA CYS 16 -1.396 3.841 -1.225 114 1HB CYS 16 2HB CYS 16 -0.364 1.572 -2.965 115 2HB CYS 16 1HB CYS 16 0.490 2.350 -1.630 116 H CYS 17 H CYS 17 0.479 5.023 -2.133 117 HA CYS 17 HA CYS 17 -0.083 6.212 -4.750 118 1HB CYS 17 2HB CYS 17 1.962 6.558 -2.556 119 2HB CYS 17 1HB CYS 17 2.106 7.419 -4.092 120 H GLY 18 H GLY 18 1.666 3.508 -3.574 121 1HA GLY 18 2HA GLY 18 3.555 3.559 -5.874 122 2HA GLY 18 1HA GLY 18 3.621 2.435 -4.511 123 H LYS 19 H LYS 19 0.443 2.601 -5.221 124 HA LYS 19 HA LYS 19 -1.042 1.186 -6.391 125 1HB LYS 19 2HB LYS 19 1.272 1.711 -8.138 126 2HB LYS 19 1HB LYS 19 0.426 0.214 -8.526 127 1HG LYS 19 2HG LYS 19 -1.672 1.381 -8.768 128 2HG LYS 19 1HG LYS 19 -0.968 2.876 -8.153 129 1HD LYS 19 2HD LYS 19 -0.399 3.435 -10.255 130 2HD LYS 19 1HD LYS 19 0.675 2.037 -10.304 131 1HE LYS 19 2HE LYS 19 -1.389 0.640 -10.908 132 2HE LYS 19 1HE LYS 19 -2.217 2.185 -11.188 133 1HZ LYS 19 1HZ LYS 19 0.252 1.191 -12.496 134 2HZ LYS 19 2HZ LYS 19 -0.235 2.816 -12.571 135 3HZ LYS 19 3HZ LYS 19 -1.217 1.599 -13.235 136 H LYS 20 H LYS 20 1.143 0.245 -4.426 137 HA LYS 20 HA LYS 20 0.731 -2.657 -4.942 138 1HB LYS 20 2HB LYS 20 3.351 -1.197 -4.497 139 2HB LYS 20 1HB LYS 20 3.190 -2.951 -4.369 140 1HG LYS 20 2HG LYS 20 2.159 -2.873 -6.717 141 2HG LYS 20 1HG LYS 20 2.760 -1.217 -6.808 142 1HD LYS 20 2HD LYS 20 4.969 -1.875 -6.873 143 2HD LYS 20 1HD LYS 20 4.673 -3.335 -5.929 144 1HE LYS 20 2HE LYS 20 4.491 -4.556 -7.827 145 2HE LYS 20 1HE LYS 20 3.213 -3.480 -8.426 146 1HZ LYS 20 1HZ LYS 20 4.926 -1.887 -9.079 147 2HZ LYS 20 2HZ LYS 20 5.147 -3.375 -9.870 148 3HZ LYS 20 3HZ LYS 20 6.138 -2.952 -8.556 149 H CYS 21 H CYS 21 -0.762 -2.548 -3.146 150 HA CYS 21 HA CYS 21 0.299 -1.723 -0.513 151 1HB CYS 21 2HB CYS 21 -2.080 -1.344 -1.506 152 2HB CYS 21 1HB CYS 21 -2.363 -3.032 -1.089 153 H LYS 22 H LYS 22 1.249 -3.299 0.838 154 HA LYS 22 HA LYS 22 1.262 -6.103 -0.050 155 1HB LYS 22 2HB LYS 22 2.584 -4.416 2.042 156 2HB LYS 22 1HB LYS 22 2.665 -6.170 2.184 157 1HG LYS 22 2HG LYS 22 3.308 -4.896 -0.455 158 2HG LYS 22 1HG LYS 22 4.523 -4.879 0.824 159 1HD LYS 22 2HD LYS 22 4.270 -7.351 1.049 160 2HD LYS 22 1HD LYS 22 3.151 -7.330 -0.315 161 1HE LYS 22 2HE LYS 22 5.790 -5.996 -0.730 162 2HE LYS 22 1HE LYS 22 5.777 -7.770 -0.670 163 1HZ LYS 22 1HZ LYS 22 3.612 -6.523 -2.154 164 2HZ LYS 22 2HZ LYS 22 4.504 -7.924 -2.509 165 3HZ LYS 22 3HZ LYS 22 5.150 -6.392 -2.860 166 H ARG 23 H ARG 23 -0.096 -7.657 0.720 167 HA ARG 23 HA ARG 23 -1.839 -7.025 3.028 168 1HB ARG 23 2HB ARG 23 -2.434 -9.514 1.667 169 2HB ARG 23 1HB ARG 23 -3.444 -8.087 1.839 170 1HG ARG 23 2HG ARG 23 -3.231 -8.085 -0.448 171 2HG ARG 23 1HG ARG 23 -1.772 -7.176 -0.075 172 1HD ARG 23 2HD ARG 23 -1.297 -9.034 -1.655 173 2HD ARG 23 1HD ARG 23 -0.476 -9.312 -0.104 174 HE ARG 23 HE ARG 23 -3.156 -10.397 -0.066 175 1HH1 ARG 23 1HH1 ARG 23 -0.567 -11.615 1.034 176 2HH1 ARG 23 2HH1 ARG 23 -0.414 -13.021 0.035 177 1HH2 ARG 23 1HH2 ARG 23 -2.686 -11.911 -2.338 178 2HH2 ARG 23 2HH2 ARG 23 -1.613 -13.189 -1.874 179 H ARG 24 H ARG 24 -2.404 -9.220 4.299 180 HA ARG 24 HA ARG 24 -0.194 -11.112 4.518 181 1HB ARG 24 2HB ARG 24 -0.105 -8.654 5.912 182 2HB ARG 24 1HB ARG 24 -0.516 -9.877 7.115 183 1HG ARG 24 2HG ARG 24 1.408 -11.234 6.418 184 2HG ARG 24 1HG ARG 24 1.812 -10.044 5.180 185 1HD ARG 24 2HD ARG 24 3.145 -9.127 6.800 186 2HD ARG 24 1HD ARG 24 1.628 -8.486 7.462 187 HE ARG 24 HE ARG 24 1.569 -10.325 9.028 188 1HH1 ARG 24 1HH2 ARG 24 2.801 -12.377 7.163 189 2HH1 ARG 24 2HH2 ARG 24 4.325 -12.668 7.933 190 1HH2 ARG 24 1HH1 ARG 24 4.166 -9.824 9.914 191 2HH2 ARG 24 2HH1 ARG 24 5.099 -11.222 9.491 192 H GLY 25 H GLY 25 -2.996 -11.385 4.059 193 1HA GLY 25 2HA GLY 25 -3.652 -13.129 6.362 194 2HA GLY 25 1HA GLY 25 -4.820 -11.864 5.975 195 H THR 26 H THR 26 -5.483 -11.820 3.597 196 HA THR 26 HA THR 26 -5.377 -14.456 2.244 197 HB THR 26 HB THR 26 -7.241 -14.646 3.815 198 HG1 THR 26 1HG THR 26 -8.212 -14.013 1.228 199 1HG2 THR 26 1HG2 THR 26 -8.111 -12.665 4.487 200 2HG2 THR 26 2HG2 THR 26 -9.142 -12.803 3.062 201 3HG2 THR 26 3HG2 THR 26 -7.655 -11.857 2.986 202 H ASN 27 H ASN 27 -4.150 -12.848 0.811 203 HA ASN 27 HA ASN 27 -4.115 -11.568 -1.187 204 1HB ASN 27 2HB ASN 27 -7.093 -12.083 -1.194 205 2HB ASN 27 1HB ASN 27 -6.035 -11.850 -2.583 206 1HD2 ASN 27 1HD2 ASN 27 -5.828 -13.829 -3.641 207 2HD2 ASN 27 2HD2 ASN 27 -5.586 -15.323 -2.874 208 H ALA 28 H ALA 28 -6.098 -9.833 -2.157 209 HA ALA 28 HA ALA 28 -7.095 -7.724 -1.799 210 1HB ALA 28 1HB ALA 28 -8.039 -9.100 0.160 211 2HB ALA 28 2HB ALA 28 -8.038 -7.350 0.362 212 3HB ALA 28 3HB ALA 28 -6.807 -8.329 1.154 213 H GLU 29 H GLU 29 -5.898 -6.777 1.167 214 HA GLU 29 HA GLU 29 -3.174 -6.069 0.489 215 1HB GLU 29 2HB GLU 29 -3.620 -3.684 0.043 216 2HB GLU 29 1HB GLU 29 -4.450 -4.698 -1.136 217 1HG GLU 29 2HG GLU 29 -5.798 -3.714 1.386 218 2HG GLU 29 1HG GLU 29 -5.822 -2.793 -0.116 219 H LYS 30 H LYS 30 -2.137 -5.304 2.373 220 HA LYS 30 HA LYS 30 -3.952 -4.797 4.676 221 1HB LYS 30 2HB LYS 30 -1.233 -6.059 4.462 222 2HB LYS 30 1HB LYS 30 -1.898 -5.524 6.007 223 1HG LYS 30 2HG LYS 30 -3.129 -7.556 4.125 224 2HG LYS 30 1HG LYS 30 -2.447 -7.872 5.720 225 1HD LYS 30 2HD LYS 30 -4.320 -5.852 6.157 226 2HD LYS 30 1HD LYS 30 -5.098 -6.920 4.988 227 1HE LYS 30 2HE LYS 30 -5.664 -7.833 7.126 228 2HE LYS 30 1HE LYS 30 -4.335 -8.854 6.541 229 1HZ LYS 30 1HZ LYS 30 -3.530 -8.257 8.586 230 2HZ LYS 30 2HZ LYS 30 -4.296 -6.741 8.580 231 3HZ LYS 30 3HZ LYS 30 -2.897 -6.993 7.648 232 H ARG 31 H ARG 31 -0.604 -3.979 3.740 233 HA ARG 31 HA ARG 31 -1.179 -1.164 4.592 234 1HB ARG 31 2HB ARG 31 0.805 -3.153 5.533 235 2HB ARG 31 1HB ARG 31 1.442 -1.531 5.261 236 1HG ARG 31 2HG ARG 31 -0.663 -0.745 6.593 237 2HG ARG 31 1HG ARG 31 -0.715 -2.412 7.166 238 1HD ARG 31 2HD ARG 31 0.974 -2.011 8.621 239 2HD ARG 31 1HD ARG 31 1.996 -1.373 7.316 240 HE ARG 31 HE ARG 31 0.448 0.742 7.595 241 1HH1 ARG 31 1HH1 ARG 31 -0.612 -0.740 10.141 242 2HH1 ARG 31 2HH1 ARG 31 0.239 0.139 11.366 243 1HH2 ARG 31 1HH2 ARG 31 2.469 1.597 9.144 244 2HH2 ARG 31 2HH2 ARG 31 1.984 1.462 10.803 245 H CYS 32 H CYS 32 -0.115 0.432 3.359 246 HA CYS 32 HA CYS 32 0.675 -0.280 0.654 247 1HB CYS 32 2HB CYS 32 0.741 2.255 2.315 248 2HB CYS 32 1HB CYS 32 1.170 2.207 0.604 249 H ARG 33 H ARG 33 2.761 -0.593 -0.143 250 HA ARG 33 HA ARG 33 5.083 0.543 1.248 251 1HB ARG 33 2HB ARG 33 5.787 -2.190 1.142 252 2HB ARG 33 1HB ARG 33 5.512 -1.226 2.583 253 1HG ARG 33 2HG ARG 33 3.058 -2.278 1.292 254 2HG ARG 33 1HG ARG 33 4.140 -3.481 1.980 255 1HD ARG 33 2HD ARG 33 4.188 -1.749 4.021 256 2HD ARG 33 1HD ARG 33 2.584 -1.354 3.377 257 HE ARG 33 HE ARG 33 1.918 -3.659 3.715 258 1HH1 ARG 33 1HH1 ARG 33 5.231 -3.835 3.676 259 2HH1 ARG 33 2HH1 ARG 33 5.392 -4.837 5.080 260 1HH2 ARG 33 1HH2 ARG 33 2.056 -4.550 5.989 261 2HH2 ARG 33 2HH2 ARG 33 3.593 -5.243 6.388 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -2.700 13.233 -8.976 2 2H GLY 1 2HT GLY 1 -4.278 13.088 -8.363 3 3H GLY 1 3HT GLY 1 -3.926 12.569 -9.942 4 1HA GLY 1 2HA GLY 1 -3.493 10.548 -9.195 5 2HA GLY 1 1HA GLY 1 -2.179 11.230 -8.234 6 H ASP 2 H ASP 2 -2.957 12.350 -6.147 7 HA ASP 2 HA ASP 2 -4.014 12.116 -4.048 8 1HB ASP 2 2HB ASP 2 -5.858 12.903 -5.607 9 2HB ASP 2 1HB ASP 2 -6.338 11.214 -5.773 10 H CYS 3 H CYS 3 -2.628 10.241 -3.542 11 HA CYS 3 HA CYS 3 -4.183 7.681 -3.471 12 1HB CYS 3 2HB CYS 3 -1.868 6.621 -3.815 13 2HB CYS 3 1HB CYS 3 -2.598 7.395 -5.221 14 H LEU 4 H LEU 4 -2.786 6.122 -1.906 15 HA LEU 4 HA LEU 4 -2.513 7.637 0.635 16 1HB LEU 4 2HB LEU 4 -2.604 4.672 -0.012 17 2HB LEU 4 1HB LEU 4 -2.661 5.361 1.607 18 HG LEU 4 HG LEU 4 -4.636 6.373 -0.387 19 1HD1 LEU 4 1HD1 LEU 4 -4.356 3.574 0.311 20 2HD1 LEU 4 2HD1 LEU 4 -5.489 4.332 -0.808 21 3HD1 LEU 4 3HD1 LEU 4 -5.888 4.214 0.906 22 1HD2 LEU 4 1HD2 LEU 4 -5.952 5.894 1.936 23 2HD2 LEU 4 2HD2 LEU 4 -5.064 7.384 1.620 24 3HD2 LEU 4 3HD2 LEU 4 -4.311 6.089 2.550 25 HA PRO 5 HA PRO 5 1.847 7.452 0.899 26 1HB PRO 5 2HB PRO 5 2.249 6.573 3.467 27 2HB PRO 5 1HB PRO 5 1.673 8.209 3.078 28 1HG PRO 5 2HG PRO 5 0.080 5.784 3.812 29 2HG PRO 5 1HG PRO 5 -0.036 7.428 4.465 30 1HD PRO 5 2HD PRO 5 -1.760 6.594 2.641 31 2HD PRO 5 1HD PRO 5 -1.092 8.242 2.546 32 H HIS 6 H HIS 6 3.716 5.932 1.282 33 HA HIS 6 HA HIS 6 3.042 3.264 0.401 34 1HB HIS 6 2HB HIS 6 4.738 4.440 -0.808 35 2HB HIS 6 1HB HIS 6 5.570 4.872 0.685 36 HD1 HIS 6 1HD HIS 6 7.758 3.650 0.390 37 HD2 HIS 6 2HD HIS 6 4.470 1.176 -0.271 38 HE1 HIS 6 1HE HIS 6 8.669 1.300 0.152 39 H LEU 7 H LEU 7 2.456 3.921 3.175 40 HA LEU 7 HA LEU 7 3.713 1.666 4.422 41 1HB LEU 7 2HB LEU 7 4.625 4.434 4.831 42 2HB LEU 7 1HB LEU 7 4.350 3.537 6.323 43 HG LEU 7 HG LEU 7 6.188 2.786 4.038 44 1HD1 LEU 7 1HD1 LEU 7 7.906 3.298 5.465 45 2HD1 LEU 7 2HD1 LEU 7 6.997 2.819 6.899 46 3HD1 LEU 7 3HD1 LEU 7 6.691 4.383 6.142 47 1HD2 LEU 7 1HD2 LEU 7 5.379 0.679 4.593 48 2HD2 LEU 7 2HD2 LEU 7 4.983 1.154 6.245 49 3HD2 LEU 7 3HD2 LEU 7 6.659 0.844 5.795 50 H LYS 8 H LYS 8 0.985 3.103 3.899 51 HA LYS 8 HA LYS 8 -0.015 2.873 6.721 52 1HB LYS 8 2HB LYS 8 -0.015 5.141 5.560 53 2HB LYS 8 1HB LYS 8 -1.202 4.473 4.439 54 1HG LYS 8 2HG LYS 8 -2.825 4.206 6.127 55 2HG LYS 8 1HG LYS 8 -1.628 4.318 7.419 56 1HD LYS 8 2HD LYS 8 -1.195 6.711 6.575 57 2HD LYS 8 1HD LYS 8 -2.696 6.533 5.666 58 1HE LYS 8 2HE LYS 8 -3.400 7.509 7.710 59 2HE LYS 8 1HE LYS 8 -3.711 5.780 7.962 60 1HZ LYS 8 1HZ LYS 8 -2.188 7.247 9.593 61 2HZ LYS 8 2HZ LYS 8 -1.004 6.670 8.520 62 3HZ LYS 8 3HZ LYS 8 -1.986 5.578 9.376 63 H ARG 9 H ARG 9 -2.174 1.924 6.922 64 HA ARG 9 HA ARG 9 -2.602 -0.434 5.447 65 1HB ARG 9 2HB ARG 9 -3.714 0.941 7.608 66 2HB ARG 9 1HB ARG 9 -5.047 0.811 6.460 67 1HG ARG 9 2HG ARG 9 -3.457 -1.654 6.736 68 2HG ARG 9 1HG ARG 9 -4.302 -1.172 8.207 69 1HD ARG 9 2HD ARG 9 -6.362 -1.603 7.313 70 2HD ARG 9 1HD ARG 9 -5.903 -0.979 5.716 71 HE ARG 9 HE ARG 9 -4.620 -3.122 5.395 72 1HH1 ARG 9 1HH2 ARG 9 -5.552 -3.450 8.498 73 2HH1 ARG 9 2HH2 ARG 9 -6.485 -4.897 8.301 74 1HH2 ARG 9 1HH1 ARG 9 -6.463 -4.755 4.837 75 2HH2 ARG 9 2HH1 ARG 9 -7.001 -5.635 6.228 76 H CYS 10 H CYS 10 -4.589 -0.869 4.029 77 HA CYS 10 HA CYS 10 -5.404 1.480 2.383 78 1HB CYS 10 2HB CYS 10 -4.698 -0.904 0.801 79 2HB CYS 10 1HB CYS 10 -4.316 0.786 0.501 80 H LYS 11 H LYS 11 -7.379 1.114 1.238 81 HA LYS 11 HA LYS 11 -9.086 -0.992 2.389 82 1HB LYS 11 2HB LYS 11 -9.321 1.584 1.072 83 2HB LYS 11 1HB LYS 11 -10.410 0.410 0.330 84 1HG LYS 11 2HG LYS 11 -10.902 -0.196 2.880 85 2HG LYS 11 1HG LYS 11 -10.384 1.472 3.123 86 1HD LYS 11 2HD LYS 11 -12.322 0.930 0.918 87 2HD LYS 11 1HD LYS 11 -12.927 0.877 2.574 88 1HE LYS 11 2HE LYS 11 -11.176 3.188 2.038 89 2HE LYS 11 1HE LYS 11 -12.682 3.188 1.099 90 1HZ LYS 11 1HZ LYS 11 -13.875 2.647 3.173 91 2HZ LYS 11 2HZ LYS 11 -13.109 4.162 3.240 92 3HZ LYS 11 3HZ LYS 11 -12.428 2.827 4.039 93 H ALA 12 H ALA 12 -7.364 -0.307 -0.587 94 HA ALA 12 HA ALA 12 -7.992 -3.028 -1.577 95 1HB ALA 12 1HB ALA 12 -8.294 -0.801 -3.535 96 2HB ALA 12 2HB ALA 12 -9.581 -0.983 -2.343 97 3HB ALA 12 3HB ALA 12 -9.182 -2.320 -3.423 98 H ASP 13 H ASP 13 -6.411 -3.766 -3.101 99 HA ASP 13 HA ASP 13 -3.766 -3.060 -2.778 100 1HB ASP 13 2HB ASP 13 -5.101 -3.941 -5.358 101 2HB ASP 13 1HB ASP 13 -3.416 -4.222 -4.902 102 H ASN 14 H ASN 14 -6.098 -1.544 -4.994 103 HA ASN 14 HA ASN 14 -4.021 0.250 -6.095 104 1HB ASN 14 2HB ASN 14 -6.719 -0.697 -6.735 105 2HB ASN 14 1HB ASN 14 -6.506 1.025 -7.051 106 1HD2 ASN 14 1HD2 ASN 14 -4.495 1.598 -8.394 107 2HD2 ASN 14 2HD2 ASN 14 -3.999 0.495 -9.585 108 H ASP 15 H ASP 15 -4.119 0.845 -3.434 109 HA ASP 15 HA ASP 15 -5.703 3.382 -3.349 110 1HB ASP 15 2HB ASP 15 -5.925 1.085 -1.791 111 2HB ASP 15 1HB ASP 15 -5.197 2.287 -0.743 112 H CYS 16 H CYS 16 -2.677 1.795 -2.833 113 HA CYS 16 HA CYS 16 -1.441 3.876 -1.175 114 1HB CYS 16 2HB CYS 16 -0.377 1.558 -2.830 115 2HB CYS 16 1HB CYS 16 0.553 2.459 -1.625 116 H CYS 17 H CYS 17 0.507 5.063 -1.996 117 HA CYS 17 HA CYS 17 -0.001 6.301 -4.598 118 1HB CYS 17 2HB CYS 17 1.994 6.583 -2.354 119 2HB CYS 17 1HB CYS 17 2.236 7.426 -3.885 120 H GLY 18 H GLY 18 1.540 3.473 -3.549 121 1HA GLY 18 2HA GLY 18 3.491 3.544 -5.808 122 2HA GLY 18 1HA GLY 18 3.552 2.414 -4.451 123 H LYS 19 H LYS 19 0.370 2.603 -5.134 124 HA LYS 19 HA LYS 19 -1.135 1.203 -6.291 125 1HB LYS 19 2HB LYS 19 0.455 2.290 -8.117 126 2HB LYS 19 1HB LYS 19 1.070 0.644 -8.259 127 1HG LYS 19 2HG LYS 19 -1.182 -0.192 -8.728 128 2HG LYS 19 1HG LYS 19 -1.850 1.425 -8.501 129 1HD LYS 19 2HD LYS 19 -0.751 2.266 -10.440 130 2HD LYS 19 1HD LYS 19 0.299 0.853 -10.547 131 1HE LYS 19 2HE LYS 19 -2.377 -0.116 -10.593 132 2HE LYS 19 1HE LYS 19 -2.282 1.226 -11.752 133 1HZ LYS 19 1HZ LYS 19 -0.406 0.264 -12.789 134 2HZ LYS 19 2HZ LYS 19 -1.539 -0.992 -12.630 135 3HZ LYS 19 3HZ LYS 19 -0.219 -0.895 -11.564 136 H LYS 20 H LYS 20 0.606 0.127 -4.210 137 HA LYS 20 HA LYS 20 0.323 -2.726 -4.856 138 1HB LYS 20 2HB LYS 20 2.830 -1.223 -5.062 139 2HB LYS 20 1HB LYS 20 2.964 -2.625 -3.999 140 1HG LYS 20 2HG LYS 20 2.871 -4.060 -5.740 141 2HG LYS 20 1HG LYS 20 1.463 -3.243 -6.423 142 1HD LYS 20 2HD LYS 20 2.722 -2.072 -7.893 143 2HD LYS 20 1HD LYS 20 3.921 -1.668 -6.664 144 1HE LYS 20 2HE LYS 20 4.111 -4.483 -7.212 145 2HE LYS 20 1HE LYS 20 4.175 -3.594 -8.746 146 1HZ LYS 20 1HZ LYS 20 5.920 -3.349 -6.390 147 2HZ LYS 20 2HZ LYS 20 5.677 -1.995 -7.386 148 3HZ LYS 20 3HZ LYS 20 6.341 -3.420 -8.031 149 H CYS 21 H CYS 21 -1.153 -2.311 -2.932 150 HA CYS 21 HA CYS 21 0.125 -1.675 -0.373 151 1HB CYS 21 2HB CYS 21 -2.263 -1.137 -0.920 152 2HB CYS 21 1HB CYS 21 -2.602 -2.866 -1.039 153 H LYS 22 H LYS 22 1.226 -3.258 0.819 154 HA LYS 22 HA LYS 22 1.149 -6.046 -0.115 155 1HB LYS 22 2HB LYS 22 3.026 -4.349 0.931 156 2HB LYS 22 1HB LYS 22 2.640 -5.355 2.328 157 1HG LYS 22 2HG LYS 22 2.809 -7.282 0.459 158 2HG LYS 22 1HG LYS 22 3.913 -6.107 -0.258 159 1HD LYS 22 2HD LYS 22 5.495 -6.863 1.154 160 2HD LYS 22 1HD LYS 22 4.570 -6.134 2.467 161 1HE LYS 22 2HE LYS 22 3.245 -8.558 1.886 162 2HE LYS 22 1HE LYS 22 4.978 -8.943 1.902 163 1HZ LYS 22 1HZ LYS 22 4.853 -7.260 3.940 164 2HZ LYS 22 2HZ LYS 22 4.644 -8.936 4.127 165 3HZ LYS 22 3HZ LYS 22 3.291 -7.913 4.044 166 H ARG 23 H ARG 23 -0.230 -7.527 0.709 167 HA ARG 23 HA ARG 23 -1.730 -6.983 3.167 168 1HB ARG 23 2HB ARG 23 -3.165 -8.655 2.368 169 2HB ARG 23 1HB ARG 23 -2.503 -7.993 0.883 170 1HG ARG 23 2HG ARG 23 -0.976 -10.248 2.095 171 2HG ARG 23 1HG ARG 23 -2.547 -10.641 1.414 172 1HD ARG 23 2HD ARG 23 -0.308 -9.201 -0.051 173 2HD ARG 23 1HD ARG 23 -0.819 -10.879 -0.312 174 HE ARG 23 HE ARG 23 -3.055 -9.039 -0.494 175 1HH1 ARG 23 1HH1 ARG 23 -0.454 -10.607 -2.127 176 2HH1 ARG 23 2HH1 ARG 23 -1.075 -10.277 -3.709 177 1HH2 ARG 23 1HH2 ARG 23 -3.819 -8.501 -2.559 178 2HH2 ARG 23 2HH2 ARG 23 -2.976 -9.086 -3.953 179 H ARG 24 H ARG 24 -2.070 -9.375 4.358 180 HA ARG 24 HA ARG 24 0.472 -10.779 4.753 181 1HB ARG 24 2HB ARG 24 -0.274 -8.467 6.299 182 2HB ARG 24 1HB ARG 24 -0.247 -9.883 7.350 183 1HG ARG 24 2HG ARG 24 1.997 -9.122 5.462 184 2HG ARG 24 1HG ARG 24 1.976 -8.739 7.184 185 1HD ARG 24 2HD ARG 24 1.592 -11.284 7.543 186 2HD ARG 24 1HD ARG 24 2.161 -11.452 5.869 187 HE ARG 24 HE ARG 24 3.787 -9.881 7.816 188 1HH1 ARG 24 1HH1 ARG 24 3.909 -11.361 4.865 189 2HH1 ARG 24 2HH1 ARG 24 5.322 -12.313 5.175 190 1HH2 ARG 24 1HH2 ARG 24 5.373 -11.616 8.570 191 2HH2 ARG 24 2HH2 ARG 24 6.148 -12.461 7.272 192 H GLY 25 H GLY 25 -2.052 -11.694 3.933 193 1HA GLY 25 2HA GLY 25 -2.561 -13.706 6.004 194 2HA GLY 25 1HA GLY 25 -3.922 -12.621 5.712 195 H THR 26 H THR 26 -5.052 -12.774 3.747 196 HA THR 26 HA THR 26 -4.286 -15.089 1.997 197 HB THR 26 HB THR 26 -6.205 -15.732 3.236 198 HG1 THR 26 1HG THR 26 -7.283 -16.182 1.512 199 1HG2 THR 26 1HG2 THR 26 -7.019 -13.938 4.412 200 2HG2 THR 26 2HG2 THR 26 -8.209 -13.939 3.110 201 3HG2 THR 26 3HG2 THR 26 -6.839 -12.831 3.051 202 H ASN 27 H ASN 27 -3.136 -13.197 0.836 203 HA ASN 27 HA ASN 27 -3.074 -11.799 -1.077 204 1HB ASN 27 2HB ASN 27 -5.956 -12.633 -1.418 205 2HB ASN 27 1HB ASN 27 -4.802 -12.184 -2.672 206 1HD2 ASN 27 1HD2 ASN 27 -2.641 -13.798 -1.202 207 2HD2 ASN 27 2HD2 ASN 27 -2.981 -15.412 -1.606 208 H ALA 28 H ALA 28 -5.201 -10.288 -2.145 209 HA ALA 28 HA ALA 28 -6.526 -8.360 -1.773 210 1HB ALA 28 1HB ALA 28 -6.196 -8.915 1.184 211 2HB ALA 28 2HB ALA 28 -7.285 -9.869 0.182 212 3HB ALA 28 3HB ALA 28 -7.546 -8.135 0.363 213 H GLU 29 H GLU 29 -5.517 -7.241 1.191 214 HA GLU 29 HA GLU 29 -2.877 -6.238 0.580 215 1HB GLU 29 2HB GLU 29 -3.797 -3.841 0.212 216 2HB GLU 29 1HB GLU 29 -3.901 -4.971 -1.133 217 1HG GLU 29 2HG GLU 29 -6.045 -3.942 -1.011 218 2HG GLU 29 1HG GLU 29 -6.258 -5.531 -0.282 219 H LYS 30 H LYS 30 -2.013 -5.195 2.403 220 HA LYS 30 HA LYS 30 -3.915 -4.719 4.662 221 1HB LYS 30 2HB LYS 30 -1.141 -5.891 4.550 222 2HB LYS 30 1HB LYS 30 -1.861 -5.321 6.059 223 1HG LYS 30 2HG LYS 30 -3.163 -7.364 4.233 224 2HG LYS 30 1HG LYS 30 -2.210 -7.778 5.659 225 1HD LYS 30 2HD LYS 30 -4.274 -5.754 6.176 226 2HD LYS 30 1HD LYS 30 -4.926 -7.307 5.649 227 1HE LYS 30 2HE LYS 30 -3.352 -8.372 7.398 228 2HE LYS 30 1HE LYS 30 -3.191 -6.732 8.060 229 1HZ LYS 30 1HZ LYS 30 -5.074 -7.992 9.029 230 2HZ LYS 30 2HZ LYS 30 -5.788 -8.059 7.487 231 3HZ LYS 30 3HZ LYS 30 -5.556 -6.561 8.257 232 H ARG 31 H ARG 31 -0.536 -3.901 3.823 233 HA ARG 31 HA ARG 31 -1.196 -1.040 4.425 234 1HB ARG 31 2HB ARG 31 -0.060 -1.893 6.348 235 2HB ARG 31 1HB ARG 31 1.111 -2.761 5.355 236 1HG ARG 31 2HG ARG 31 2.130 -0.716 4.620 237 2HG ARG 31 1HG ARG 31 0.831 0.252 5.320 238 1HD ARG 31 2HD ARG 31 2.431 0.447 7.004 239 2HD ARG 31 1HD ARG 31 1.603 -1.024 7.553 240 HE ARG 31 HE ARG 31 3.711 -1.577 5.618 241 1HH1 ARG 31 1HH1 ARG 31 2.570 -2.629 8.480 242 2HH1 ARG 31 2HH1 ARG 31 4.093 -2.766 9.294 243 1HH2 ARG 31 1HH2 ARG 31 5.855 -1.048 6.849 244 2HH2 ARG 31 2HH2 ARG 31 5.954 -1.873 8.369 245 H CYS 32 H CYS 32 0.138 0.489 3.300 246 HA CYS 32 HA CYS 32 0.803 -0.250 0.593 247 1HB CYS 32 2HB CYS 32 1.363 2.182 2.310 248 2HB CYS 32 1HB CYS 32 1.636 2.118 0.567 249 H ARG 33 H ARG 33 2.643 -1.343 -0.013 250 HA ARG 33 HA ARG 33 5.248 -0.466 1.097 251 1HB ARG 33 2HB ARG 33 4.573 -3.404 1.143 252 2HB ARG 33 1HB ARG 33 5.829 -2.550 2.032 253 1HG ARG 33 2HG ARG 33 4.085 -1.405 3.372 254 2HG ARG 33 1HG ARG 33 2.844 -2.316 2.510 255 1HD ARG 33 2HD ARG 33 4.542 -4.327 3.329 256 2HD ARG 33 1HD ARG 33 4.619 -3.193 4.692 257 HE ARG 33 HE ARG 33 1.899 -3.451 3.818 258 1HH1 ARG 33 1HH1 ARG 33 2.930 -3.584 6.677 259 2HH1 ARG 33 2HH1 ARG 33 2.518 -5.209 7.111 260 1HH2 ARG 33 1HH2 ARG 33 1.998 -6.236 3.842 261 2HH2 ARG 33 2HH2 ARG 33 1.990 -6.708 5.508 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -7.687 11.967 -8.309 2 2H GLY 1 2HT GLY 1 -6.488 10.938 -7.686 3 3H GLY 1 3HT GLY 1 -6.067 12.466 -8.295 4 1HA GLY 1 2HA GLY 1 -7.294 13.552 -6.528 5 2HA GLY 1 1HA GLY 1 -7.753 11.968 -5.900 6 H ASP 2 H ASP 2 -6.469 11.225 -4.291 7 HA ASP 2 HA ASP 2 -3.551 11.821 -4.364 8 1HB ASP 2 2HB ASP 2 -3.667 12.663 -2.051 9 2HB ASP 2 1HB ASP 2 -4.714 13.619 -3.101 10 H CYS 3 H CYS 3 -3.382 9.495 -4.764 11 HA CYS 3 HA CYS 3 -4.517 7.374 -3.363 12 1HB CYS 3 2HB CYS 3 -2.242 6.285 -3.836 13 2HB CYS 3 1HB CYS 3 -3.084 6.978 -5.221 14 H LEU 4 H LEU 4 -3.188 5.946 -1.737 15 HA LEU 4 HA LEU 4 -2.703 7.574 0.672 16 1HB LEU 4 2HB LEU 4 -2.618 4.585 0.143 17 2HB LEU 4 1HB LEU 4 -2.640 5.338 1.732 18 HG LEU 4 HG LEU 4 -4.814 5.809 -0.313 19 1HD1 LEU 4 1HD1 LEU 4 -5.987 3.964 0.439 20 2HD1 LEU 4 2HD1 LEU 4 -5.195 3.973 2.014 21 3HD1 LEU 4 3HD1 LEU 4 -4.343 3.346 0.604 22 1HD2 LEU 4 1HD2 LEU 4 -4.403 7.353 1.712 23 2HD2 LEU 4 2HD2 LEU 4 -4.944 5.993 2.697 24 3HD2 LEU 4 3HD2 LEU 4 -6.033 6.710 1.509 25 HA PRO 5 HA PRO 5 1.695 7.522 0.635 26 1HB PRO 5 2HB PRO 5 2.300 6.757 3.197 27 2HB PRO 5 1HB PRO 5 1.648 8.362 2.799 28 1HG PRO 5 2HG PRO 5 0.193 5.921 3.735 29 2HG PRO 5 1HG PRO 5 0.068 7.585 4.331 30 1HD PRO 5 2HD PRO 5 -1.750 6.612 2.670 31 2HD PRO 5 1HD PRO 5 -1.167 8.282 2.480 32 H HIS 6 H HIS 6 3.603 6.017 0.884 33 HA HIS 6 HA HIS 6 2.865 3.304 0.217 34 1HB HIS 6 2HB HIS 6 4.497 4.343 -1.175 35 2HB HIS 6 1HB HIS 6 5.393 4.939 0.221 36 HD1 HIS 6 1HD HIS 6 7.597 3.731 -0.201 37 HD2 HIS 6 2HD HIS 6 4.327 1.146 -0.159 38 HE1 HIS 6 1HE HIS 6 8.542 1.381 -0.211 39 H LEU 7 H LEU 7 2.395 4.087 2.945 40 HA LEU 7 HA LEU 7 3.780 1.961 4.286 41 1HB LEU 7 2HB LEU 7 4.650 4.734 4.394 42 2HB LEU 7 1HB LEU 7 4.345 4.070 5.999 43 HG LEU 7 HG LEU 7 6.129 2.857 3.874 44 1HD1 LEU 7 1HD1 LEU 7 7.946 3.535 5.197 45 2HD1 LEU 7 2HD1 LEU 7 6.933 3.782 6.621 46 3HD1 LEU 7 3HD1 LEU 7 6.858 4.922 5.277 47 1HD2 LEU 7 1HD2 LEU 7 4.675 1.557 5.865 48 2HD2 LEU 7 2HD2 LEU 7 6.270 1.774 6.584 49 3HD2 LEU 7 3HD2 LEU 7 6.103 0.923 5.048 50 H LYS 8 H LYS 8 0.970 3.248 3.770 51 HA LYS 8 HA LYS 8 0.068 3.100 6.629 52 1HB LYS 8 2HB LYS 8 -0.063 5.352 5.564 53 2HB LYS 8 1HB LYS 8 -1.096 4.672 4.306 54 1HG LYS 8 2HG LYS 8 -2.858 5.114 5.640 55 2HG LYS 8 1HG LYS 8 -2.269 3.848 6.715 56 1HD LYS 8 2HD LYS 8 -0.643 5.912 7.434 57 2HD LYS 8 1HD LYS 8 -2.114 6.786 7.006 58 1HE LYS 8 2HE LYS 8 -2.302 4.337 8.749 59 2HE LYS 8 1HE LYS 8 -1.859 5.900 9.462 60 1HZ LYS 8 1HZ LYS 8 -3.798 6.835 8.178 61 2HZ LYS 8 2HZ LYS 8 -4.203 5.831 9.488 62 3HZ LYS 8 3HZ LYS 8 -4.289 5.237 7.898 63 H ARG 9 H ARG 9 -1.997 2.044 6.955 64 HA ARG 9 HA ARG 9 -2.464 -0.336 5.576 65 1HB ARG 9 2HB ARG 9 -3.515 -0.043 7.660 66 2HB ARG 9 1HB ARG 9 -4.145 1.544 7.220 67 1HG ARG 9 2HG ARG 9 -5.966 0.673 6.136 68 2HG ARG 9 1HG ARG 9 -5.084 -0.748 5.575 69 1HD ARG 9 2HD ARG 9 -5.659 -0.428 8.516 70 2HD ARG 9 1HD ARG 9 -6.910 -1.067 7.430 71 HE ARG 9 HE ARG 9 -4.401 -2.359 6.887 72 1HH1 ARG 9 1HH2 ARG 9 -4.623 -2.427 9.922 73 2HH1 ARG 9 2HH2 ARG 9 -5.447 -3.932 10.166 74 1HH2 ARG 9 1HH1 ARG 9 -6.492 -4.198 6.870 75 2HH2 ARG 9 2HH1 ARG 9 -6.507 -4.933 8.439 76 H CYS 10 H CYS 10 -3.957 -0.937 3.903 77 HA CYS 10 HA CYS 10 -5.151 1.318 2.343 78 1HB CYS 10 2HB CYS 10 -4.361 -0.466 0.397 79 2HB CYS 10 1HB CYS 10 -3.481 0.986 0.848 80 H LYS 11 H LYS 11 -7.180 0.878 1.572 81 HA LYS 11 HA LYS 11 -8.494 -1.603 2.428 82 1HB LYS 11 2HB LYS 11 -9.578 0.586 2.604 83 2HB LYS 11 1HB LYS 11 -9.386 0.846 0.870 84 1HG LYS 11 2HG LYS 11 -11.193 -0.421 0.371 85 2HG LYS 11 1HG LYS 11 -10.721 -1.685 1.508 86 1HD LYS 11 2HD LYS 11 -12.594 -0.938 2.610 87 2HD LYS 11 1HD LYS 11 -11.431 0.211 3.275 88 1HE LYS 11 2HE LYS 11 -12.126 1.492 0.963 89 2HE LYS 11 1HE LYS 11 -13.650 0.680 1.373 90 1HZ LYS 11 1HZ LYS 11 -13.666 1.626 3.498 91 2HZ LYS 11 2HZ LYS 11 -13.213 2.911 2.482 92 3HZ LYS 11 3HZ LYS 11 -12.040 2.102 3.409 93 H ALA 12 H ALA 12 -7.335 -0.161 -0.585 94 HA ALA 12 HA ALA 12 -7.887 -2.756 -1.964 95 1HB ALA 12 1HB ALA 12 -9.392 -0.444 -2.254 96 2HB ALA 12 2HB ALA 12 -9.308 -1.754 -3.432 97 3HB ALA 12 3HB ALA 12 -8.260 -0.346 -3.604 98 H ASP 13 H ASP 13 -6.224 -3.364 -3.333 99 HA ASP 13 HA ASP 13 -3.624 -2.508 -3.165 100 1HB ASP 13 2HB ASP 13 -5.088 -3.382 -5.674 101 2HB ASP 13 1HB ASP 13 -3.354 -3.557 -5.375 102 H ASN 14 H ASN 14 -6.206 -0.971 -5.009 103 HA ASN 14 HA ASN 14 -4.341 0.899 -6.336 104 1HB ASN 14 2HB ASN 14 -7.242 0.174 -6.436 105 2HB ASN 14 1HB ASN 14 -6.753 1.747 -7.068 106 1HD2 ASN 14 1HD2 ASN 14 -4.472 1.397 -8.425 107 2HD2 ASN 14 2HD2 ASN 14 -4.585 0.168 -9.591 108 H ASP 15 H ASP 15 -4.731 0.981 -3.316 109 HA ASP 15 HA ASP 15 -5.901 3.721 -3.093 110 1HB ASP 15 2HB ASP 15 -6.260 1.343 -1.677 111 2HB ASP 15 1HB ASP 15 -5.432 2.431 -0.580 112 H CYS 16 H CYS 16 -2.997 1.898 -2.876 113 HA CYS 16 HA CYS 16 -1.570 3.835 -1.142 114 1HB CYS 16 2HB CYS 16 -0.750 1.387 -2.749 115 2HB CYS 16 1HB CYS 16 0.314 2.261 -1.639 116 H CYS 17 H CYS 17 0.220 5.101 -1.939 117 HA CYS 17 HA CYS 17 -0.091 6.053 -4.692 118 1HB CYS 17 2HB CYS 17 1.697 6.683 -2.339 119 2HB CYS 17 1HB CYS 17 1.954 7.427 -3.918 120 H GLY 18 H GLY 18 1.421 3.405 -3.270 121 1HA GLY 18 2HA GLY 18 3.670 3.420 -5.226 122 2HA GLY 18 1HA GLY 18 3.523 2.328 -3.844 123 H LYS 19 H LYS 19 0.484 2.430 -4.962 124 HA LYS 19 HA LYS 19 -0.815 0.955 -6.266 125 1HB LYS 19 2HB LYS 19 1.578 1.722 -7.764 126 2HB LYS 19 1HB LYS 19 0.980 0.137 -8.253 127 1HG LYS 19 2HG LYS 19 -1.341 1.231 -8.375 128 2HG LYS 19 1HG LYS 19 -0.491 2.775 -8.283 129 1HD LYS 19 2HD LYS 19 0.310 2.603 -10.403 130 2HD LYS 19 1HD LYS 19 0.635 0.877 -10.241 131 1HE LYS 19 2HE LYS 19 -1.186 0.552 -11.563 132 2HE LYS 19 1HE LYS 19 -2.162 1.063 -10.171 133 1HZ LYS 19 1HZ LYS 19 -1.168 2.680 -12.427 134 2HZ LYS 19 2HZ LYS 19 -1.487 3.417 -10.930 135 3HZ LYS 19 3HZ LYS 19 -2.730 2.618 -11.767 136 H LYS 20 H LYS 20 1.259 0.053 -4.146 137 HA LYS 20 HA LYS 20 1.090 -2.846 -4.832 138 1HB LYS 20 2HB LYS 20 3.402 -1.174 -4.824 139 2HB LYS 20 1HB LYS 20 3.538 -2.281 -3.457 140 1HG LYS 20 2HG LYS 20 3.226 -4.202 -4.894 141 2HG LYS 20 1HG LYS 20 2.857 -3.165 -6.273 142 1HD LYS 20 2HD LYS 20 5.135 -3.793 -6.561 143 2HD LYS 20 1HD LYS 20 5.186 -2.146 -5.932 144 1HE LYS 20 2HE LYS 20 5.515 -3.059 -3.631 145 2HE LYS 20 1HE LYS 20 5.566 -4.694 -4.319 146 1HZ LYS 20 1HZ LYS 20 7.753 -3.303 -4.061 147 2HZ LYS 20 2HZ LYS 20 7.238 -2.602 -5.519 148 3HZ LYS 20 3HZ LYS 20 7.508 -4.277 -5.428 149 H CYS 21 H CYS 21 -0.763 -2.359 -3.163 150 HA CYS 21 HA CYS 21 0.090 -1.955 -0.387 151 1HB CYS 21 2HB CYS 21 -2.123 -1.230 -1.168 152 2HB CYS 21 1HB CYS 21 -2.495 -2.864 -1.726 153 H LYS 22 H LYS 22 0.715 -3.735 0.987 154 HA LYS 22 HA LYS 22 0.422 -6.447 -0.264 155 1HB LYS 22 2HB LYS 22 2.643 -4.953 0.593 156 2HB LYS 22 1HB LYS 22 2.458 -6.252 1.772 157 1HG LYS 22 2HG LYS 22 2.090 -7.724 -0.405 158 2HG LYS 22 1HG LYS 22 3.008 -6.424 -1.165 159 1HD LYS 22 2HD LYS 22 4.932 -6.893 0.028 160 2HD LYS 22 1HD LYS 22 4.044 -7.559 1.399 161 1HE LYS 22 2HE LYS 22 5.185 -9.380 0.203 162 2HE LYS 22 1HE LYS 22 3.433 -9.540 -0.034 163 1HZ LYS 22 1HZ LYS 22 4.072 -9.564 -2.201 164 2HZ LYS 22 2HZ LYS 22 5.494 -8.679 -1.920 165 3HZ LYS 22 3HZ LYS 22 3.995 -7.882 -2.003 166 H ARG 23 H ARG 23 -0.889 -7.815 0.745 167 HA ARG 23 HA ARG 23 -1.894 -7.482 3.472 168 1HB ARG 23 2HB ARG 23 -3.413 -9.130 2.817 169 2HB ARG 23 1HB ARG 23 -3.031 -8.355 1.286 170 1HG ARG 23 2HG ARG 23 -2.554 -10.448 0.560 171 2HG ARG 23 1HG ARG 23 -1.052 -10.260 1.468 172 1HD ARG 23 2HD ARG 23 -1.935 -12.284 2.321 173 2HD ARG 23 1HD ARG 23 -2.497 -11.090 3.507 174 HE ARG 23 HE ARG 23 -4.492 -11.041 1.616 175 1HH1 ARG 23 1HH2 ARG 23 -3.863 -12.763 4.345 176 2HH1 ARG 23 2HH2 ARG 23 -4.799 -14.161 3.931 177 1HH2 ARG 23 1HH1 ARG 23 -5.294 -13.184 0.643 178 2HH2 ARG 23 2HH1 ARG 23 -5.609 -14.398 1.836 179 H ARG 24 H ARG 24 -1.822 -9.622 4.868 180 HA ARG 24 HA ARG 24 1.007 -10.325 5.220 181 1HB ARG 24 2HB ARG 24 0.062 -11.651 7.120 182 2HB ARG 24 1HB ARG 24 -0.498 -9.978 7.126 183 1HG ARG 24 2HG ARG 24 -2.636 -10.567 6.313 184 2HG ARG 24 1HG ARG 24 -2.083 -12.144 5.750 185 1HD ARG 24 2HD ARG 24 -3.456 -12.144 7.927 186 2HD ARG 24 1HD ARG 24 -1.889 -12.973 8.007 187 HE ARG 24 HE ARG 24 -1.593 -10.169 8.631 188 1HH1 ARG 24 1HH2 ARG 24 -1.108 -13.189 9.852 189 2HH1 ARG 24 2HH2 ARG 24 -1.480 -12.809 11.501 190 1HH2 ARG 24 1HH1 ARG 24 -2.748 -9.666 10.766 191 2HH2 ARG 24 2HH1 ARG 24 -2.409 -10.813 12.018 192 H GLY 25 H GLY 25 0.402 -11.135 2.701 193 1HA GLY 25 2HA GLY 25 0.972 -13.933 2.693 194 2HA GLY 25 1HA GLY 25 -0.739 -13.700 2.325 195 H THR 26 H THR 26 -1.219 -12.146 0.498 196 HA THR 26 HA THR 26 1.017 -11.737 -1.409 197 HB THR 26 HB THR 26 0.168 -14.029 -1.777 198 HG1 THR 26 1HG THR 26 0.654 -12.369 -3.530 199 1HG2 THR 26 1HG2 THR 26 -2.356 -13.578 -2.925 200 2HG2 THR 26 2HG2 THR 26 -2.369 -12.679 -1.408 201 3HG2 THR 26 3HG2 THR 26 -2.018 -14.408 -1.407 202 H ASN 27 H ASN 27 0.368 -9.489 -0.804 203 HA ASN 27 HA ASN 27 -0.881 -7.491 -1.058 204 1HB ASN 27 2HB ASN 27 -1.277 -7.109 -3.500 205 2HB ASN 27 1HB ASN 27 0.337 -7.704 -3.117 206 1HD2 ASN 27 1HD2 ASN 27 -2.823 -8.678 -4.449 207 2HD2 ASN 27 2HD2 ASN 27 -2.256 -10.085 -5.212 208 H ALA 28 H ALA 28 -2.860 -7.199 -0.152 209 HA ALA 28 HA ALA 28 -5.241 -7.919 -1.705 210 1HB ALA 28 1HB ALA 28 -5.531 -9.898 -0.656 211 2HB ALA 28 2HB ALA 28 -5.814 -8.992 0.829 212 3HB ALA 28 3HB ALA 28 -4.193 -9.565 0.442 213 H GLU 29 H GLU 29 -4.165 -6.927 1.564 214 HA GLU 29 HA GLU 29 -5.366 -4.324 1.422 215 1HB GLU 29 2HB GLU 29 -7.372 -5.912 1.310 216 2HB GLU 29 1HB GLU 29 -7.004 -6.337 2.978 217 1HG GLU 29 2HG GLU 29 -7.205 -3.965 3.629 218 2HG GLU 29 1HG GLU 29 -7.589 -3.542 1.960 219 H LYS 30 H LYS 30 -2.959 -4.765 2.521 220 HA LYS 30 HA LYS 30 -3.417 -4.858 5.478 221 1HB LYS 30 2HB LYS 30 -1.484 -6.035 3.714 222 2HB LYS 30 1HB LYS 30 -0.743 -5.161 5.043 223 1HG LYS 30 2HG LYS 30 -1.296 -7.627 5.490 224 2HG LYS 30 1HG LYS 30 -1.858 -6.458 6.683 225 1HD LYS 30 2HD LYS 30 -3.780 -6.858 4.512 226 2HD LYS 30 1HD LYS 30 -3.440 -8.342 5.403 227 1HE LYS 30 2HE LYS 30 -3.675 -6.554 7.466 228 2HE LYS 30 1HE LYS 30 -4.845 -5.897 6.304 229 1HZ LYS 30 1HZ LYS 30 -5.403 -7.939 7.913 230 2HZ LYS 30 2HZ LYS 30 -4.793 -8.793 6.579 231 3HZ LYS 30 3HZ LYS 30 -6.116 -7.744 6.387 232 H ARG 31 H ARG 31 -0.518 -3.817 3.806 233 HA ARG 31 HA ARG 31 -1.119 -0.965 4.460 234 1HB ARG 31 2HB ARG 31 0.359 -2.665 6.087 235 2HB ARG 31 1HB ARG 31 1.595 -1.805 5.169 236 1HG ARG 31 2HG ARG 31 0.645 0.346 5.826 237 2HG ARG 31 1HG ARG 31 -0.681 -0.467 6.660 238 1HD ARG 31 2HD ARG 31 2.084 -1.268 7.452 239 2HD ARG 31 1HD ARG 31 1.517 0.329 7.981 240 HE ARG 31 HE ARG 31 -0.633 -1.104 8.645 241 1HH1 ARG 31 1HH1 ARG 31 1.432 -0.625 10.758 242 2HH1 ARG 31 2HH1 ARG 31 1.777 -2.232 11.302 243 1HH2 ARG 31 1HH2 ARG 31 0.355 -3.758 8.530 244 2HH2 ARG 31 2HH2 ARG 31 1.168 -4.007 10.040 245 H CYS 32 H CYS 32 -0.050 0.492 3.113 246 HA CYS 32 HA CYS 32 0.723 -0.310 0.506 247 1HB CYS 32 2HB CYS 32 1.437 2.155 2.128 248 2HB CYS 32 1HB CYS 32 1.507 2.037 0.365 249 H ARG 33 H ARG 33 2.409 -1.851 0.386 250 HA ARG 33 HA ARG 33 5.118 -0.835 0.901 251 1HB ARG 33 2HB ARG 33 5.688 -2.500 2.558 252 2HB ARG 33 1HB ARG 33 4.216 -1.697 3.104 253 1HG ARG 33 2HG ARG 33 2.859 -3.539 2.193 254 2HG ARG 33 1HG ARG 33 4.322 -4.340 1.619 255 1HD ARG 33 2HD ARG 33 4.364 -5.387 3.642 256 2HD ARG 33 1HD ARG 33 4.852 -3.820 4.319 257 HE ARG 33 HE ARG 33 2.302 -3.353 4.405 258 1HH1 ARG 33 1HH1 ARG 33 2.854 -6.562 3.658 259 2HH1 ARG 33 2HH1 ARG 33 1.949 -7.217 4.981 260 1HH2 ARG 33 1HH2 ARG 33 1.505 -4.152 6.542 261 2HH2 ARG 33 2HH2 ARG 33 1.186 -5.853 6.615 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -2.455 14.316 -7.106 2 2H GLY 1 2HT GLY 1 -3.060 14.196 -5.523 3 3H GLY 1 3HT GLY 1 -3.834 15.196 -6.658 4 1HA GLY 1 2HA GLY 1 -4.971 13.525 -7.585 5 2HA GLY 1 1HA GLY 1 -3.585 12.438 -7.478 6 H ASP 2 H ASP 2 -4.822 10.721 -6.584 7 HA ASP 2 HA ASP 2 -5.540 11.121 -3.706 8 1HB ASP 2 2HB ASP 2 -7.163 9.905 -5.958 9 2HB ASP 2 1HB ASP 2 -7.545 9.622 -4.259 10 H CYS 3 H CYS 3 -4.356 9.641 -2.546 11 HA CYS 3 HA CYS 3 -4.292 6.827 -3.207 12 1HB CYS 3 2HB CYS 3 -2.026 6.667 -4.014 13 2HB CYS 3 1HB CYS 3 -2.817 7.931 -4.960 14 H LEU 4 H LEU 4 -3.017 5.606 -1.602 15 HA LEU 4 HA LEU 4 -2.681 7.116 0.927 16 1HB LEU 4 2HB LEU 4 -2.361 4.144 0.402 17 2HB LEU 4 1HB LEU 4 -2.703 4.926 1.938 18 HG LEU 4 HG LEU 4 -4.539 4.513 -0.407 19 1HD1 LEU 4 1HD1 LEU 4 -5.456 3.031 1.006 20 2HD1 LEU 4 2HD1 LEU 4 -5.720 4.304 2.195 21 3HD1 LEU 4 3HD1 LEU 4 -4.202 3.404 2.189 22 1HD2 LEU 4 1HD2 LEU 4 -5.152 6.709 -0.130 23 2HD2 LEU 4 2HD2 LEU 4 -4.475 6.799 1.496 24 3HD2 LEU 4 3HD2 LEU 4 -6.048 6.044 1.238 25 HA PRO 5 HA PRO 5 1.695 7.295 0.784 26 1HB PRO 5 2HB PRO 5 2.413 6.481 3.300 27 2HB PRO 5 1HB PRO 5 1.648 8.053 2.979 28 1HG PRO 5 2HG PRO 5 0.381 5.490 3.846 29 2HG PRO 5 1HG PRO 5 0.162 7.115 4.515 30 1HD PRO 5 2HD PRO 5 -1.630 6.086 2.862 31 2HD PRO 5 1HD PRO 5 -1.168 7.800 2.729 32 H HIS 6 H HIS 6 3.725 5.824 1.473 33 HA HIS 6 HA HIS 6 3.231 3.204 0.347 34 1HB HIS 6 2HB HIS 6 5.034 4.407 -0.619 35 2HB HIS 6 1HB HIS 6 5.630 4.906 0.961 36 HD1 HIS 6 1HD HIS 6 7.858 3.798 1.187 37 HD2 HIS 6 2HD HIS 6 4.969 1.174 -0.277 38 HE1 HIS 6 1HE HIS 6 8.962 1.522 1.052 39 H LEU 7 H LEU 7 2.410 3.843 3.117 40 HA LEU 7 HA LEU 7 3.457 1.472 4.356 41 1HB LEU 7 2HB LEU 7 4.547 4.123 4.870 42 2HB LEU 7 1HB LEU 7 4.070 3.280 6.347 43 HG LEU 7 HG LEU 7 5.424 1.517 4.458 44 1HD1 LEU 7 1HD1 LEU 7 6.911 3.111 3.753 45 2HD1 LEU 7 2HD1 LEU 7 7.673 2.736 5.299 46 3HD1 LEU 7 3HD1 LEU 7 6.625 4.147 5.151 47 1HD2 LEU 7 1HD2 LEU 7 5.413 2.220 7.350 48 2HD2 LEU 7 2HD2 LEU 7 6.890 1.489 6.721 49 3HD2 LEU 7 3HD2 LEU 7 5.354 0.636 6.577 50 H LYS 8 H LYS 8 0.954 3.750 4.122 51 HA LYS 8 HA LYS 8 -0.129 3.166 6.816 52 1HB LYS 8 2HB LYS 8 -0.309 5.430 5.865 53 2HB LYS 8 1HB LYS 8 -1.169 4.784 4.467 54 1HG LYS 8 2HG LYS 8 -2.803 5.683 6.022 55 2HG LYS 8 1HG LYS 8 -2.941 3.925 6.013 56 1HD LYS 8 2HD LYS 8 -2.961 4.477 8.309 57 2HD LYS 8 1HD LYS 8 -1.294 3.982 8.009 58 1HE LYS 8 2HE LYS 8 -0.668 5.991 8.865 59 2HE LYS 8 1HE LYS 8 -1.348 6.730 7.401 60 1HZ LYS 8 1HZ LYS 8 -3.409 7.027 8.408 61 2HZ LYS 8 2HZ LYS 8 -2.319 7.439 9.646 62 3HZ LYS 8 3HZ LYS 8 -3.083 5.921 9.652 63 H ARG 9 H ARG 9 -2.233 2.128 7.057 64 HA ARG 9 HA ARG 9 -2.601 -0.239 5.601 65 1HB ARG 9 2HB ARG 9 -3.624 0.167 7.762 66 2HB ARG 9 1HB ARG 9 -4.543 1.529 7.119 67 1HG ARG 9 2HG ARG 9 -6.161 -0.123 7.017 68 2HG ARG 9 1HG ARG 9 -5.429 -0.319 5.424 69 1HD ARG 9 2HD ARG 9 -3.792 -1.947 6.784 70 2HD ARG 9 1HD ARG 9 -5.222 -2.083 7.829 71 HE ARG 9 HE ARG 9 -5.116 -2.828 4.952 72 1HH1 ARG 9 1HH1 ARG 9 -5.903 -4.881 6.884 73 2HH1 ARG 9 2HH1 ARG 9 -7.634 -4.816 6.859 74 1HH2 ARG 9 1HH2 ARG 9 -7.759 -1.694 5.353 75 2HH2 ARG 9 2HH2 ARG 9 -8.684 -3.012 5.991 76 H CYS 10 H CYS 10 -3.963 -0.781 3.814 77 HA CYS 10 HA CYS 10 -5.013 1.571 2.270 78 1HB CYS 10 2HB CYS 10 -4.146 0.493 0.289 79 2HB CYS 10 1HB CYS 10 -2.858 0.498 1.494 80 H LYS 11 H LYS 11 -7.078 1.344 1.464 81 HA LYS 11 HA LYS 11 -8.655 -0.999 2.281 82 1HB LYS 11 2HB LYS 11 -9.540 1.282 2.445 83 2HB LYS 11 1HB LYS 11 -9.280 1.530 0.717 84 1HG LYS 11 2HG LYS 11 -11.563 0.968 0.835 85 2HG LYS 11 1HG LYS 11 -10.794 -0.564 0.417 86 1HD LYS 11 2HD LYS 11 -10.936 -1.367 2.655 87 2HD LYS 11 1HD LYS 11 -11.321 0.236 3.284 88 1HE LYS 11 2HE LYS 11 -13.204 -0.713 1.218 89 2HE LYS 11 1HE LYS 11 -13.211 -1.673 2.711 90 1HZ LYS 11 1HZ LYS 11 -13.511 1.271 2.463 91 2HZ LYS 11 2HZ LYS 11 -13.245 0.479 3.943 92 3HZ LYS 11 3HZ LYS 11 -14.659 0.170 3.051 93 H ALA 12 H ALA 12 -6.934 0.085 -0.511 94 HA ALA 12 HA ALA 12 -7.888 -2.294 -2.029 95 1HB ALA 12 1HB ALA 12 -9.286 -0.308 -2.615 96 2HB ALA 12 2HB ALA 12 -8.337 -0.884 -3.986 97 3HB ALA 12 3HB ALA 12 -7.820 0.548 -3.096 98 H ASP 13 H ASP 13 -6.250 -3.149 -3.346 99 HA ASP 13 HA ASP 13 -3.564 -2.804 -2.808 100 1HB ASP 13 2HB ASP 13 -5.162 -3.667 -5.192 101 2HB ASP 13 1HB ASP 13 -3.402 -3.577 -5.336 102 H ASN 14 H ASN 14 -5.500 -0.958 -5.157 103 HA ASN 14 HA ASN 14 -3.141 0.574 -6.032 104 1HB ASN 14 2HB ASN 14 -4.431 0.807 -7.871 105 2HB ASN 14 1HB ASN 14 -5.616 -0.227 -7.084 106 1HD2 ASN 14 1HD2 ASN 14 -7.385 0.879 -5.861 107 2HD2 ASN 14 2HD2 ASN 14 -7.813 2.473 -6.261 108 H ASP 15 H ASP 15 -5.710 0.933 -3.694 109 HA ASP 15 HA ASP 15 -6.119 3.633 -3.405 110 1HB ASP 15 2HB ASP 15 -6.254 1.316 -1.850 111 2HB ASP 15 1HB ASP 15 -5.475 2.531 -0.840 112 H CYS 16 H CYS 16 -3.144 1.902 -2.702 113 HA CYS 16 HA CYS 16 -1.785 4.104 -1.321 114 1HB CYS 16 2HB CYS 16 -0.770 1.616 -2.757 115 2HB CYS 16 1HB CYS 16 0.113 2.554 -1.545 116 H CYS 17 H CYS 17 0.133 5.193 -2.274 117 HA CYS 17 HA CYS 17 -0.312 6.029 -5.043 118 1HB CYS 17 2HB CYS 17 0.994 6.969 -2.699 119 2HB CYS 17 1HB CYS 17 2.168 6.877 -4.011 120 H GLY 18 H GLY 18 1.419 3.537 -3.448 121 1HA GLY 18 2HA GLY 18 3.445 3.279 -5.579 122 2HA GLY 18 1HA GLY 18 3.251 2.200 -4.191 123 H LYS 19 H LYS 19 0.208 2.490 -5.085 124 HA LYS 19 HA LYS 19 -1.295 1.139 -6.279 125 1HB LYS 19 2HB LYS 19 1.068 0.962 -8.180 126 2HB LYS 19 1HB LYS 19 -0.629 0.715 -8.596 127 1HG LYS 19 2HG LYS 19 -0.953 3.125 -7.632 128 2HG LYS 19 1HG LYS 19 0.786 3.273 -7.886 129 1HD LYS 19 2HD LYS 19 -0.982 2.238 -10.090 130 2HD LYS 19 1HD LYS 19 -0.827 3.972 -9.818 131 1HE LYS 19 2HE LYS 19 1.511 2.080 -10.268 132 2HE LYS 19 1HE LYS 19 0.838 3.181 -11.486 133 1HZ LYS 19 1HZ LYS 19 1.098 4.872 -9.497 134 2HZ LYS 19 2HZ LYS 19 2.379 4.560 -10.569 135 3HZ LYS 19 3HZ LYS 19 2.335 3.801 -9.049 136 H LYS 20 H LYS 20 1.041 0.024 -4.522 137 HA LYS 20 HA LYS 20 0.458 -2.821 -5.158 138 1HB LYS 20 2HB LYS 20 2.832 -1.467 -5.845 139 2HB LYS 20 1HB LYS 20 3.237 -2.432 -4.424 140 1HG LYS 20 2HG LYS 20 2.002 -4.360 -5.634 141 2HG LYS 20 1HG LYS 20 2.164 -3.367 -7.082 142 1HD LYS 20 2HD LYS 20 4.189 -4.375 -7.291 143 2HD LYS 20 1HD LYS 20 4.698 -3.238 -6.042 144 1HE LYS 20 2HE LYS 20 3.763 -5.069 -4.388 145 2HE LYS 20 1HE LYS 20 4.010 -6.150 -5.774 146 1HZ LYS 20 1HZ LYS 20 6.115 -4.214 -5.161 147 2HZ LYS 20 2HZ LYS 20 6.240 -5.785 -5.797 148 3HZ LYS 20 3HZ LYS 20 5.974 -5.557 -4.135 149 H CYS 21 H CYS 21 -0.840 -2.604 -3.176 150 HA CYS 21 HA CYS 21 0.480 -1.913 -0.663 151 1HB CYS 21 2HB CYS 21 -1.992 -1.689 -1.406 152 2HB CYS 21 1HB CYS 21 -2.123 -3.410 -1.032 153 H LYS 22 H LYS 22 0.165 -3.809 1.162 154 HA LYS 22 HA LYS 22 0.765 -6.478 -0.044 155 1HB LYS 22 2HB LYS 22 2.853 -5.078 0.311 156 2HB LYS 22 1HB LYS 22 2.514 -5.159 2.041 157 1HG LYS 22 2HG LYS 22 3.000 -7.408 2.180 158 2HG LYS 22 1HG LYS 22 2.520 -7.723 0.512 159 1HD LYS 22 2HD LYS 22 4.548 -6.579 -0.297 160 2HD LYS 22 1HD LYS 22 5.030 -6.251 1.367 161 1HE LYS 22 2HE LYS 22 5.283 -8.613 1.839 162 2HE LYS 22 1HE LYS 22 4.579 -9.047 0.269 163 1HZ LYS 22 1HZ LYS 22 6.988 -7.341 0.585 164 2HZ LYS 22 2HZ LYS 22 6.358 -7.969 -0.862 165 3HZ LYS 22 3HZ LYS 22 7.056 -9.010 0.285 166 H ARG 23 H ARG 23 -0.636 -7.842 0.962 167 HA ARG 23 HA ARG 23 -1.845 -7.362 3.558 168 1HB ARG 23 2HB ARG 23 -2.329 -8.863 1.260 169 2HB ARG 23 1HB ARG 23 -1.986 -10.066 2.501 170 1HG ARG 23 2HG ARG 23 -3.595 -8.733 4.003 171 2HG ARG 23 1HG ARG 23 -4.122 -7.932 2.524 172 1HD ARG 23 2HD ARG 23 -4.114 -10.650 1.854 173 2HD ARG 23 1HD ARG 23 -4.790 -10.594 3.495 174 HE ARG 23 HE ARG 23 -5.799 -8.763 1.354 175 1HH1 ARG 23 1HH1 ARG 23 -6.748 -8.723 4.263 176 2HH1 ARG 23 2HH1 ARG 23 -8.234 -9.604 4.134 177 1HH2 ARG 23 1HH2 ARG 23 -7.497 -10.911 1.008 178 2HH2 ARG 23 2HH2 ARG 23 -8.658 -10.841 2.293 179 H ARG 24 H ARG 24 -1.707 -9.112 5.290 180 HA ARG 24 HA ARG 24 1.111 -9.714 5.877 181 1HB ARG 24 2HB ARG 24 -0.634 -8.874 7.510 182 2HB ARG 24 1HB ARG 24 -1.418 -10.449 7.384 183 1HG ARG 24 2HG ARG 24 0.097 -10.344 9.342 184 2HG ARG 24 1HG ARG 24 0.631 -11.552 8.173 185 1HD ARG 24 2HD ARG 24 2.616 -10.489 7.946 186 2HD ARG 24 1HD ARG 24 1.788 -8.982 7.508 187 HE ARG 24 HE ARG 24 2.693 -9.725 10.208 188 1HH1 ARG 24 1HH1 ARG 24 2.757 -6.994 8.758 189 2HH1 ARG 24 2HH1 ARG 24 1.612 -6.109 9.711 190 1HH2 ARG 24 1HH2 ARG 24 0.293 -8.931 11.232 191 2HH2 ARG 24 2HH2 ARG 24 0.218 -7.205 11.110 192 H GLY 25 H GLY 25 0.555 -11.125 3.627 193 1HA GLY 25 2HA GLY 25 0.920 -13.872 4.472 194 2HA GLY 25 1HA GLY 25 -0.665 -13.627 3.736 195 H THR 26 H THR 26 -0.647 -12.583 1.534 196 HA THR 26 HA THR 26 1.899 -12.975 0.038 197 HB THR 26 HB THR 26 0.495 -15.078 0.076 198 HG1 THR 26 1HG THR 26 0.467 -14.067 -2.530 199 1HG2 THR 26 1HG2 THR 26 -1.406 -14.237 -1.902 200 2HG2 THR 26 2HG2 THR 26 -1.558 -13.200 -0.483 201 3HG2 THR 26 3HG2 THR 26 -1.711 -14.950 -0.318 202 H ASN 27 H ASN 27 0.901 -10.491 0.612 203 HA ASN 27 HA ASN 27 0.267 -8.471 -0.450 204 1HB ASN 27 2HB ASN 27 1.829 -9.600 -2.126 205 2HB ASN 27 1HB ASN 27 0.371 -10.129 -2.967 206 1HD2 ASN 27 1HD2 ASN 27 -1.293 -8.130 -3.212 207 2HD2 ASN 27 2HD2 ASN 27 -0.585 -6.701 -3.792 208 H ALA 28 H ALA 28 -1.804 -7.634 -0.506 209 HA ALA 28 HA ALA 28 -3.874 -8.455 -2.238 210 1HB ALA 28 1HB ALA 28 -3.479 -10.075 0.210 211 2HB ALA 28 2HB ALA 28 -4.191 -10.533 -1.337 212 3HB ALA 28 3HB ALA 28 -5.148 -9.640 -0.156 213 H GLU 29 H GLU 29 -3.167 -7.284 1.052 214 HA GLU 29 HA GLU 29 -4.400 -4.773 0.771 215 1HB GLU 29 2HB GLU 29 -6.265 -6.963 0.822 216 2HB GLU 29 1HB GLU 29 -6.530 -5.939 2.233 217 1HG GLU 29 2HG GLU 29 -6.677 -3.957 0.797 218 2HG GLU 29 1HG GLU 29 -6.361 -4.949 -0.627 219 H LYS 30 H LYS 30 -2.777 -4.213 2.316 220 HA LYS 30 HA LYS 30 -3.657 -4.509 5.093 221 1HB LYS 30 2HB LYS 30 -1.371 -5.898 3.951 222 2HB LYS 30 1HB LYS 30 -1.061 -5.068 5.465 223 1HG LYS 30 2HG LYS 30 -3.199 -7.151 4.948 224 2HG LYS 30 1HG LYS 30 -1.790 -7.319 5.995 225 1HD LYS 30 2HD LYS 30 -2.898 -5.068 7.036 226 2HD LYS 30 1HD LYS 30 -4.348 -5.907 6.482 227 1HE LYS 30 2HE LYS 30 -3.935 -7.787 7.866 228 2HE LYS 30 1HE LYS 30 -2.234 -7.344 8.104 229 1HZ LYS 30 1HZ LYS 30 -2.767 -5.943 9.735 230 2HZ LYS 30 2HZ LYS 30 -4.317 -6.637 9.733 231 3HZ LYS 30 3HZ LYS 30 -4.015 -5.228 8.834 232 H ARG 31 H ARG 31 -0.376 -3.811 4.111 233 HA ARG 31 HA ARG 31 -0.886 -0.906 4.686 234 1HB ARG 31 2HB ARG 31 0.558 -2.632 6.187 235 2HB ARG 31 1HB ARG 31 1.810 -2.110 5.059 236 1HG ARG 31 2HG ARG 31 2.048 -0.397 6.557 237 2HG ARG 31 1HG ARG 31 0.699 0.286 5.647 238 1HD ARG 31 2HD ARG 31 0.040 0.420 7.948 239 2HD ARG 31 1HD ARG 31 -0.829 -0.988 7.305 240 HE ARG 31 HE ARG 31 0.818 -2.437 8.374 241 1HH1 ARG 31 1HH1 ARG 31 -0.011 -0.180 10.394 242 2HH1 ARG 31 2HH1 ARG 31 1.523 0.108 11.145 243 1HH2 ARG 31 1HH2 ARG 31 3.325 -1.596 8.723 244 2HH2 ARG 31 2HH2 ARG 31 3.411 -0.693 10.198 245 H CYS 32 H CYS 32 -0.116 0.530 3.134 246 HA CYS 32 HA CYS 32 0.497 -0.320 0.503 247 1HB CYS 32 2HB CYS 32 1.278 2.211 1.991 248 2HB CYS 32 1HB CYS 32 1.250 2.037 0.235 249 H ARG 33 H ARG 33 2.351 -1.237 -0.333 250 HA ARG 33 HA ARG 33 4.955 -0.618 1.015 251 1HB ARG 33 2HB ARG 33 4.202 -3.374 0.029 252 2HB ARG 33 1HB ARG 33 5.484 -2.928 1.155 253 1HG ARG 33 2HG ARG 33 3.307 -1.963 2.476 254 2HG ARG 33 1HG ARG 33 2.599 -3.350 1.651 255 1HD ARG 33 2HD ARG 33 4.444 -4.780 2.572 256 2HD ARG 33 1HD ARG 33 5.004 -3.378 3.506 257 HE ARG 33 HE ARG 33 2.244 -3.584 4.008 258 1HH1 ARG 33 1HH1 ARG 33 5.269 -4.879 4.899 259 2HH1 ARG 33 2HH1 ARG 33 4.625 -5.969 6.082 260 1HH2 ARG 33 1HH2 ARG 33 1.318 -5.248 5.326 261 2HH2 ARG 33 2HH2 ARG 33 2.386 -6.177 6.324 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -0.045 13.061 -6.624 2 2H GLY 1 2HT GLY 1 -0.613 11.461 -6.690 3 3H GLY 1 3HT GLY 1 -0.833 12.386 -5.281 4 1HA GLY 1 2HA GLY 1 -2.031 13.952 -7.087 5 2HA GLY 1 1HA GLY 1 -2.372 12.345 -7.731 6 H ASP 2 H ASP 2 -3.537 10.839 -6.381 7 HA ASP 2 HA ASP 2 -4.730 11.931 -3.880 8 1HB ASP 2 2HB ASP 2 -5.983 11.698 -6.506 9 2HB ASP 2 1HB ASP 2 -6.865 10.783 -5.283 10 H CYS 3 H CYS 3 -2.993 10.019 -3.521 11 HA CYS 3 HA CYS 3 -4.588 7.493 -3.296 12 1HB CYS 3 2HB CYS 3 -2.322 6.380 -3.794 13 2HB CYS 3 1HB CYS 3 -3.148 7.147 -5.150 14 H LEU 4 H LEU 4 -3.272 5.938 -1.737 15 HA LEU 4 HA LEU 4 -2.806 7.451 0.750 16 1HB LEU 4 2HB LEU 4 -2.784 4.487 0.080 17 2HB LEU 4 1HB LEU 4 -2.731 5.151 1.708 18 HG LEU 4 HG LEU 4 -4.967 5.673 -0.270 19 1HD1 LEU 4 1HD1 LEU 4 -4.553 3.254 0.726 20 2HD1 LEU 4 2HD1 LEU 4 -6.179 3.933 0.693 21 3HD1 LEU 4 3HD1 LEU 4 -5.240 3.967 2.184 22 1HD2 LEU 4 1HD2 LEU 4 -5.459 7.308 1.212 23 2HD2 LEU 4 2HD2 LEU 4 -4.211 6.754 2.329 24 3HD2 LEU 4 3HD2 LEU 4 -5.819 6.029 2.372 25 HA PRO 5 HA PRO 5 1.578 7.424 0.726 26 1HB PRO 5 2HB PRO 5 2.164 6.610 3.279 27 2HB PRO 5 1HB PRO 5 1.505 8.219 2.905 28 1HG PRO 5 2HG PRO 5 0.056 5.750 3.773 29 2HG PRO 5 1HG PRO 5 -0.085 7.399 4.406 30 1HD PRO 5 2HD PRO 5 -1.882 6.456 2.705 31 2HD PRO 5 1HD PRO 5 -1.301 8.133 2.554 32 H HIS 6 H HIS 6 3.488 5.933 0.934 33 HA HIS 6 HA HIS 6 2.765 3.229 0.217 34 1HB HIS 6 2HB HIS 6 4.364 4.378 -1.156 35 2HB HIS 6 1HB HIS 6 5.313 4.839 0.255 36 HD1 HIS 6 1HD HIS 6 7.458 3.606 -0.377 37 HD2 HIS 6 2HD HIS 6 4.115 1.116 -0.313 38 HE1 HIS 6 1HE HIS 6 8.328 1.234 -0.547 39 H LEU 7 H LEU 7 2.367 3.977 2.984 40 HA LEU 7 HA LEU 7 3.758 1.797 4.229 41 1HB LEU 7 2HB LEU 7 4.595 4.609 4.502 42 2HB LEU 7 1HB LEU 7 4.465 3.733 6.026 43 HG LEU 7 HG LEU 7 6.167 3.013 3.625 44 1HD1 LEU 7 1HD1 LEU 7 7.798 3.992 4.816 45 2HD1 LEU 7 2HD1 LEU 7 7.463 2.927 6.181 46 3HD1 LEU 7 3HD1 LEU 7 6.608 4.463 6.030 47 1HD2 LEU 7 1HD2 LEU 7 5.591 0.869 4.230 48 2HD2 LEU 7 2HD2 LEU 7 5.101 1.350 5.853 49 3HD2 LEU 7 3HD2 LEU 7 6.811 1.148 5.474 50 H LYS 8 H LYS 8 0.962 3.104 3.813 51 HA LYS 8 HA LYS 8 0.120 2.885 6.687 52 1HB LYS 8 2HB LYS 8 0.060 5.177 5.580 53 2HB LYS 8 1HB LYS 8 -1.176 4.534 4.499 54 1HG LYS 8 2HG LYS 8 -2.777 4.690 6.082 55 2HG LYS 8 1HG LYS 8 -1.746 3.941 7.302 56 1HD LYS 8 2HD LYS 8 -1.115 6.738 6.455 57 2HD LYS 8 1HD LYS 8 -2.498 6.485 7.521 58 1HE LYS 8 2HE LYS 8 -1.172 5.645 9.259 59 2HE LYS 8 1HE LYS 8 0.141 5.178 8.160 60 1HZ LYS 8 1HZ LYS 8 0.741 7.396 7.814 61 2HZ LYS 8 2HZ LYS 8 0.456 7.314 9.487 62 3HZ LYS 8 3HZ LYS 8 -0.711 7.996 8.457 63 H ARG 9 H ARG 9 -2.050 1.952 6.973 64 HA ARG 9 HA ARG 9 -2.556 -0.389 5.516 65 1HB ARG 9 2HB ARG 9 -3.476 0.321 7.752 66 2HB ARG 9 1HB ARG 9 -4.592 1.386 6.896 67 1HG ARG 9 2HG ARG 9 -6.000 -0.353 6.653 68 2HG ARG 9 1HG ARG 9 -4.790 -1.145 5.642 69 1HD ARG 9 2HD ARG 9 -3.782 -2.217 7.582 70 2HD ARG 9 1HD ARG 9 -4.850 -1.316 8.676 71 HE ARG 9 HE ARG 9 -6.002 -3.121 6.589 72 1HH1 ARG 9 1HH1 ARG 9 -5.164 -2.715 9.868 73 2HH1 ARG 9 2HH1 ARG 9 -6.626 -3.410 10.485 74 1HH2 ARG 9 1HH2 ARG 9 -8.100 -3.741 7.364 75 2HH2 ARG 9 2HH2 ARG 9 -8.287 -3.990 9.068 76 H CYS 10 H CYS 10 -4.122 -0.878 3.841 77 HA CYS 10 HA CYS 10 -5.132 1.504 2.329 78 1HB CYS 10 2HB CYS 10 -4.285 0.531 0.297 79 2HB CYS 10 1HB CYS 10 -2.968 0.487 1.467 80 H LYS 11 H LYS 11 -7.221 1.263 1.606 81 HA LYS 11 HA LYS 11 -8.702 -1.170 2.354 82 1HB LYS 11 2HB LYS 11 -9.200 1.628 1.575 83 2HB LYS 11 1HB LYS 11 -10.392 0.495 0.936 84 1HG LYS 11 2HG LYS 11 -11.200 1.180 3.088 85 2HG LYS 11 1HG LYS 11 -10.574 -0.457 3.289 86 1HD LYS 11 2HD LYS 11 -8.709 0.250 4.474 87 2HD LYS 11 1HD LYS 11 -8.717 1.851 3.731 88 1HE LYS 11 2HE LYS 11 -9.444 1.998 6.091 89 2HE LYS 11 1HE LYS 11 -10.799 2.396 5.015 90 1HZ LYS 11 1HZ LYS 11 -11.851 0.468 5.468 91 2HZ LYS 11 2HZ LYS 11 -10.941 0.517 6.902 92 3HZ LYS 11 3HZ LYS 11 -10.416 -0.426 5.590 93 H ALA 12 H ALA 12 -6.901 -0.131 -0.314 94 HA ALA 12 HA ALA 12 -7.935 -2.337 -1.977 95 1HB ALA 12 1HB ALA 12 -7.989 -0.354 -3.830 96 2HB ALA 12 2HB ALA 12 -8.449 0.563 -2.396 97 3HB ALA 12 3HB ALA 12 -9.408 -0.828 -2.899 98 H ASP 13 H ASP 13 -6.191 -3.247 -2.981 99 HA ASP 13 HA ASP 13 -3.540 -2.690 -2.623 100 1HB ASP 13 2HB ASP 13 -4.806 -3.542 -5.245 101 2HB ASP 13 1HB ASP 13 -3.178 -3.942 -4.688 102 H ASN 14 H ASN 14 -5.679 -1.008 -4.909 103 HA ASN 14 HA ASN 14 -3.415 0.524 -6.036 104 1HB ASN 14 2HB ASN 14 -5.153 1.385 -7.533 105 2HB ASN 14 1HB ASN 14 -5.290 -0.368 -7.404 106 1HD2 ASN 14 1HD2 ASN 14 -7.002 2.590 -6.992 107 2HD2 ASN 14 2HD2 ASN 14 -8.377 1.948 -6.233 108 H ASP 15 H ASP 15 -5.500 0.859 -3.347 109 HA ASP 15 HA ASP 15 -5.993 3.671 -3.357 110 1HB ASP 15 2HB ASP 15 -6.372 1.447 -1.703 111 2HB ASP 15 1HB ASP 15 -5.567 2.659 -0.717 112 H CYS 16 H CYS 16 -3.110 1.851 -2.786 113 HA CYS 16 HA CYS 16 -1.704 3.875 -1.196 114 1HB CYS 16 2HB CYS 16 -0.795 1.449 -2.788 115 2HB CYS 16 1HB CYS 16 0.177 2.311 -1.587 116 H CYS 17 H CYS 17 0.147 5.082 -1.997 117 HA CYS 17 HA CYS 17 -0.207 6.127 -4.708 118 1HB CYS 17 2HB CYS 17 1.691 6.611 -2.403 119 2HB CYS 17 1HB CYS 17 1.876 7.434 -3.955 120 H GLY 18 H GLY 18 1.327 3.418 -3.404 121 1HA GLY 18 2HA GLY 18 3.484 3.429 -5.457 122 2HA GLY 18 1HA GLY 18 3.381 2.315 -4.089 123 H LYS 19 H LYS 19 0.306 2.451 -5.055 124 HA LYS 19 HA LYS 19 -1.082 1.033 -6.314 125 1HB LYS 19 2HB LYS 19 1.379 0.906 -8.088 126 2HB LYS 19 1HB LYS 19 -0.288 0.604 -8.581 127 1HG LYS 19 2HG LYS 19 -0.853 2.839 -8.545 128 2HG LYS 19 1HG LYS 19 0.313 3.222 -7.278 129 1HD LYS 19 2HD LYS 19 1.509 4.117 -9.002 130 2HD LYS 19 1HD LYS 19 1.989 2.442 -9.276 131 1HE LYS 19 2HE LYS 19 -0.282 3.924 -10.644 132 2HE LYS 19 1HE LYS 19 1.202 3.304 -11.397 133 1HZ LYS 19 1HZ LYS 19 -1.011 1.760 -10.173 134 2HZ LYS 19 2HZ LYS 19 0.523 1.078 -10.438 135 3HZ LYS 19 3HZ LYS 19 -0.398 1.640 -11.750 136 H LYS 20 H LYS 20 1.126 -0.003 -4.376 137 HA LYS 20 HA LYS 20 0.692 -2.868 -5.036 138 1HB LYS 20 2HB LYS 20 2.842 -2.096 -6.061 139 2HB LYS 20 1HB LYS 20 3.401 -1.623 -4.455 140 1HG LYS 20 2HG LYS 20 3.736 -3.786 -3.785 141 2HG LYS 20 1HG LYS 20 2.362 -4.393 -4.709 142 1HD LYS 20 2HD LYS 20 3.993 -3.605 -6.734 143 2HD LYS 20 1HD LYS 20 5.192 -4.070 -5.526 144 1HE LYS 20 2HE LYS 20 4.742 -6.083 -6.727 145 2HE LYS 20 1HE LYS 20 3.771 -6.234 -5.249 146 1HZ LYS 20 1HZ LYS 20 1.855 -5.466 -6.362 147 2HZ LYS 20 2HZ LYS 20 2.539 -6.631 -7.394 148 3HZ LYS 20 3HZ LYS 20 2.736 -4.976 -7.726 149 H CYS 21 H CYS 21 -0.727 -2.679 -3.114 150 HA CYS 21 HA CYS 21 0.441 -1.932 -0.544 151 1HB CYS 21 2HB CYS 21 -2.004 -1.825 -1.436 152 2HB CYS 21 1HB CYS 21 -2.088 -3.529 -0.980 153 H LYS 22 H LYS 22 0.204 -3.784 1.299 154 HA LYS 22 HA LYS 22 1.056 -6.404 0.116 155 1HB LYS 22 2HB LYS 22 2.485 -4.537 1.961 156 2HB LYS 22 1HB LYS 22 2.738 -6.271 2.169 157 1HG LYS 22 2HG LYS 22 3.039 -4.827 -0.478 158 2HG LYS 22 1HG LYS 22 4.384 -5.201 0.599 159 1HD LYS 22 2HD LYS 22 3.622 -7.634 0.493 160 2HD LYS 22 1HD LYS 22 2.565 -7.145 -0.832 161 1HE LYS 22 2HE LYS 22 5.180 -6.059 -1.320 162 2HE LYS 22 1HE LYS 22 5.331 -7.796 -0.991 163 1HZ LYS 22 1HZ LYS 22 3.206 -7.917 -2.463 164 2HZ LYS 22 2HZ LYS 22 4.736 -7.819 -3.195 165 3HZ LYS 22 3HZ LYS 22 3.761 -6.434 -3.070 166 H ARG 23 H ARG 23 -0.567 -7.715 0.790 167 HA ARG 23 HA ARG 23 -1.957 -7.560 3.350 168 1HB ARG 23 2HB ARG 23 -2.823 -8.326 1.091 169 2HB ARG 23 1HB ARG 23 -1.849 -9.780 1.303 170 1HG ARG 23 2HG ARG 23 -3.376 -9.259 3.697 171 2HG ARG 23 1HG ARG 23 -4.448 -9.312 2.301 172 1HD ARG 23 2HD ARG 23 -2.801 -11.451 1.791 173 2HD ARG 23 1HD ARG 23 -2.915 -11.494 3.561 174 HE ARG 23 HE ARG 23 -5.473 -11.035 2.196 175 1HH1 ARG 23 1HH2 ARG 23 -5.413 -12.277 4.857 176 2HH1 ARG 23 2HH2 ARG 23 -5.633 -13.960 4.515 177 1HH2 ARG 23 1HH1 ARG 23 -4.820 -13.655 1.157 178 2HH2 ARG 23 2HH1 ARG 23 -5.296 -14.740 2.420 179 H ARG 24 H ARG 24 -1.961 -9.471 4.855 180 HA ARG 24 HA ARG 24 0.763 -10.328 5.497 181 1HB ARG 24 2HB ARG 24 -1.529 -9.799 6.884 182 2HB ARG 24 1HB ARG 24 -1.584 -11.562 6.823 183 1HG ARG 24 2HG ARG 24 0.990 -11.289 7.486 184 2HG ARG 24 1HG ARG 24 0.392 -9.773 8.165 185 1HD ARG 24 2HD ARG 24 -1.509 -11.706 8.931 186 2HD ARG 24 1HD ARG 24 0.075 -12.463 9.201 187 HE ARG 24 HE ARG 24 -0.920 -10.031 10.537 188 1HH1 ARG 24 1HH2 ARG 24 1.134 -12.642 10.744 189 2HH1 ARG 24 2HH2 ARG 24 2.436 -11.800 11.518 190 1HH2 ARG 24 1HH1 ARG 24 1.020 -8.666 11.077 191 2HH2 ARG 24 2HH1 ARG 24 2.370 -9.549 11.706 192 H GLY 25 H GLY 25 0.379 -11.349 3.017 193 1HA GLY 25 2HA GLY 25 0.770 -14.138 3.292 194 2HA GLY 25 1HA GLY 25 -0.922 -13.891 2.858 195 H THR 26 H THR 26 -1.383 -12.790 0.822 196 HA THR 26 HA THR 26 0.922 -12.608 -1.071 197 HB THR 26 HB THR 26 -0.008 -14.847 -1.278 198 HG1 THR 26 1HG THR 26 -0.416 -14.763 -3.411 199 1HG2 THR 26 1HG2 THR 26 -2.513 -14.903 -2.051 200 2HG2 THR 26 2HG2 THR 26 -2.605 -13.338 -1.244 201 3HG2 THR 26 3HG2 THR 26 -2.142 -14.775 -0.331 202 H ASN 27 H ASN 27 0.084 -10.285 -0.296 203 HA ASN 27 HA ASN 27 -0.945 -8.265 -0.902 204 1HB ASN 27 2HB ASN 27 -0.834 -7.882 -3.174 205 2HB ASN 27 1HB ASN 27 0.122 -9.357 -3.073 206 1HD2 ASN 27 1HD2 ASN 27 -3.319 -8.350 -3.537 207 2HD2 ASN 27 2HD2 ASN 27 -3.685 -9.596 -4.630 208 H ALA 28 H ALA 28 -2.981 -7.323 -0.846 209 HA ALA 28 HA ALA 28 -5.417 -8.379 -1.792 210 1HB ALA 28 1HB ALA 28 -5.795 -10.129 -0.417 211 2HB ALA 28 2HB ALA 28 -5.766 -9.028 0.961 212 3HB ALA 28 3HB ALA 28 -4.278 -9.805 0.422 213 H GLU 29 H GLU 29 -4.207 -7.063 1.308 214 HA GLU 29 HA GLU 29 -5.060 -4.395 0.928 215 1HB GLU 29 2HB GLU 29 -7.209 -6.227 1.107 216 2HB GLU 29 1HB GLU 29 -7.187 -5.348 2.634 217 1HG GLU 29 2HG GLU 29 -7.620 -3.316 1.638 218 2HG GLU 29 1HG GLU 29 -6.826 -3.767 0.129 219 H LYS 30 H LYS 30 -2.942 -4.711 2.288 220 HA LYS 30 HA LYS 30 -3.665 -4.791 5.189 221 1HB LYS 30 2HB LYS 30 -1.615 -6.071 3.624 222 2HB LYS 30 1HB LYS 30 -0.998 -5.253 5.053 223 1HG LYS 30 2HG LYS 30 -1.718 -7.681 5.412 224 2HG LYS 30 1HG LYS 30 -2.417 -6.494 6.514 225 1HD LYS 30 2HD LYS 30 -4.478 -6.438 5.243 226 2HD LYS 30 1HD LYS 30 -3.785 -7.466 3.989 227 1HE LYS 30 2HE LYS 30 -4.532 -9.269 5.144 228 2HE LYS 30 1HE LYS 30 -3.433 -8.829 6.467 229 1HZ LYS 30 1HZ LYS 30 -6.221 -7.919 6.035 230 2HZ LYS 30 2HZ LYS 30 -5.158 -7.121 7.094 231 3HZ LYS 30 3HZ LYS 30 -5.590 -8.739 7.379 232 H ARG 31 H ARG 31 -0.561 -3.913 3.834 233 HA ARG 31 HA ARG 31 -1.082 -1.040 4.526 234 1HB ARG 31 2HB ARG 31 0.486 -2.905 5.925 235 2HB ARG 31 1HB ARG 31 1.642 -1.923 5.026 236 1HG ARG 31 2HG ARG 31 0.340 0.115 5.890 237 2HG ARG 31 1HG ARG 31 -0.427 -0.999 7.022 238 1HD ARG 31 2HD ARG 31 2.278 -1.625 7.247 239 2HD ARG 31 1HD ARG 31 2.263 0.144 7.107 240 HE ARG 31 HE ARG 31 0.915 0.264 9.093 241 1HH1 ARG 31 1HH2 ARG 31 2.849 -2.069 9.731 242 2HH1 ARG 31 2HH2 ARG 31 1.746 -3.199 10.444 243 1HH2 ARG 31 1HH1 ARG 31 -1.087 -1.573 9.281 244 2HH2 ARG 31 2HH1 ARG 31 -0.481 -2.916 10.191 245 H CYS 32 H CYS 32 -0.052 0.446 3.152 246 HA CYS 32 HA CYS 32 0.609 -0.384 0.492 247 1HB CYS 32 2HB CYS 32 1.252 2.158 2.025 248 2HB CYS 32 1HB CYS 32 1.266 1.993 0.265 249 H ARG 33 H ARG 33 2.465 -1.406 -0.142 250 HA ARG 33 HA ARG 33 5.065 -0.517 0.994 251 1HB ARG 33 2HB ARG 33 4.087 -3.391 0.968 252 2HB ARG 33 1HB ARG 33 5.649 -2.834 1.567 253 1HG ARG 33 2HG ARG 33 4.427 -1.392 3.223 254 2HG ARG 33 1HG ARG 33 2.922 -2.145 2.694 255 1HD ARG 33 2HD ARG 33 4.402 -4.373 3.173 256 2HD ARG 33 1HD ARG 33 5.094 -3.267 4.378 257 HE ARG 33 HE ARG 33 2.129 -3.492 4.146 258 1HH1 ARG 33 1HH2 ARG 33 4.692 -2.595 6.086 259 2HH1 ARG 33 2HH2 ARG 33 4.112 -3.360 7.528 260 1HH2 ARG 33 1HH1 ARG 33 1.529 -5.025 5.918 261 2HH2 ARG 33 2HH1 ARG 33 2.319 -4.736 7.432 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -8.122 12.376 -6.043 2 2H GLY 1 2HT GLY 1 -7.968 10.994 -7.019 3 3H GLY 1 3HT GLY 1 -8.071 12.534 -7.732 4 1HA GLY 1 2HA GLY 1 -5.772 11.265 -7.343 5 2HA GLY 1 1HA GLY 1 -5.918 13.024 -7.370 6 H ASP 2 H ASP 2 -6.193 10.270 -5.099 7 HA ASP 2 HA ASP 2 -4.604 11.783 -3.119 8 1HB ASP 2 2HB ASP 2 -6.368 11.834 -1.477 9 2HB ASP 2 1HB ASP 2 -7.049 12.480 -2.970 10 H CYS 3 H CYS 3 -3.700 9.501 -4.258 11 HA CYS 3 HA CYS 3 -4.562 7.025 -3.108 12 1HB CYS 3 2HB CYS 3 -2.240 6.318 -3.816 13 2HB CYS 3 1HB CYS 3 -3.163 7.135 -5.081 14 H LEU 4 H LEU 4 -3.247 5.752 -1.495 15 HA LEU 4 HA LEU 4 -2.662 7.416 0.866 16 1HB LEU 4 2HB LEU 4 -2.665 4.420 0.360 17 2HB LEU 4 1HB LEU 4 -2.563 5.180 1.947 18 HG LEU 4 HG LEU 4 -4.784 6.273 0.446 19 1HD1 LEU 4 1HD1 LEU 4 -5.671 4.439 -0.506 20 2HD1 LEU 4 2HD1 LEU 4 -5.739 3.667 1.079 21 3HD1 LEU 4 3HD1 LEU 4 -4.310 3.472 0.064 22 1HD2 LEU 4 1HD2 LEU 4 -6.006 5.604 2.478 23 2HD2 LEU 4 2HD2 LEU 4 -4.473 6.365 2.907 24 3HD2 LEU 4 3HD2 LEU 4 -4.639 4.611 2.983 25 HA PRO 5 HA PRO 5 1.718 7.353 0.596 26 1HB PRO 5 2HB PRO 5 2.469 6.644 3.136 27 2HB PRO 5 1HB PRO 5 1.797 8.241 2.741 28 1HG PRO 5 2HG PRO 5 0.402 5.828 3.819 29 2HG PRO 5 1HG PRO 5 0.304 7.508 4.373 30 1HD PRO 5 2HD PRO 5 -1.601 6.475 2.839 31 2HD PRO 5 1HD PRO 5 -1.046 8.147 2.585 32 H HIS 6 H HIS 6 3.646 5.829 0.836 33 HA HIS 6 HA HIS 6 2.848 3.143 0.158 34 1HB HIS 6 2HB HIS 6 4.506 4.240 -1.196 35 2HB HIS 6 1HB HIS 6 5.464 4.639 0.229 36 HD1 HIS 6 1HD HIS 6 7.548 3.296 -0.376 37 HD2 HIS 6 2HD HIS 6 4.076 0.990 -0.400 38 HE1 HIS 6 1HE HIS 6 8.292 0.885 -0.564 39 H LEU 7 H LEU 7 2.424 3.883 2.916 40 HA LEU 7 HA LEU 7 3.723 1.680 4.187 41 1HB LEU 7 2HB LEU 7 4.737 4.421 4.371 42 2HB LEU 7 1HB LEU 7 4.481 3.671 5.946 43 HG LEU 7 HG LEU 7 6.193 2.629 3.673 44 1HD1 LEU 7 1HD1 LEU 7 7.974 3.277 4.934 45 2HD1 LEU 7 2HD1 LEU 7 7.185 2.838 6.449 46 3HD1 LEU 7 3HD1 LEU 7 6.810 4.377 5.673 47 1HD2 LEU 7 1HD2 LEU 7 4.962 1.269 6.032 48 2HD2 LEU 7 2HD2 LEU 7 6.636 0.867 5.650 49 3HD2 LEU 7 3HD2 LEU 7 5.372 0.614 4.447 50 H LYS 8 H LYS 8 0.988 3.041 3.725 51 HA LYS 8 HA LYS 8 0.116 2.988 6.600 52 1HB LYS 8 2HB LYS 8 -0.018 5.220 5.607 53 2HB LYS 8 1HB LYS 8 -0.914 4.577 4.231 54 1HG LYS 8 2HG LYS 8 -2.820 4.084 5.559 55 2HG LYS 8 1HG LYS 8 -1.915 4.267 7.062 56 1HD LYS 8 2HD LYS 8 -1.688 6.654 6.706 57 2HD LYS 8 1HD LYS 8 -2.415 6.524 5.104 58 1HE LYS 8 2HE LYS 8 -4.357 5.348 6.631 59 2HE LYS 8 1HE LYS 8 -3.726 6.570 7.755 60 1HZ LYS 8 1HZ LYS 8 -4.305 7.177 4.914 61 2HZ LYS 8 2HZ LYS 8 -4.042 8.271 6.186 62 3HZ LYS 8 3HZ LYS 8 -5.475 7.361 6.128 63 H ARG 9 H ARG 9 -2.124 2.160 6.887 64 HA ARG 9 HA ARG 9 -2.588 -0.294 5.578 65 1HB ARG 9 2HB ARG 9 -4.187 1.628 7.240 66 2HB ARG 9 1HB ARG 9 -5.007 0.242 6.524 67 1HG ARG 9 2HG ARG 9 -2.430 -0.140 8.031 68 2HG ARG 9 1HG ARG 9 -3.959 -0.018 8.902 69 1HD ARG 9 2HD ARG 9 -3.245 -2.053 6.764 70 2HD ARG 9 1HD ARG 9 -3.582 -2.371 8.475 71 HE ARG 9 HE ARG 9 -5.586 -1.927 6.429 72 1HH1 ARG 9 1HH2 ARG 9 -5.872 -3.415 9.090 73 2HH1 ARG 9 2HH2 ARG 9 -7.012 -2.402 9.913 74 1HH2 ARG 9 1HH1 ARG 9 -6.578 0.282 7.761 75 2HH2 ARG 9 2HH1 ARG 9 -7.411 -0.308 9.159 76 H CYS 10 H CYS 10 -3.796 -0.856 3.745 77 HA CYS 10 HA CYS 10 -4.983 1.418 2.196 78 1HB CYS 10 2HB CYS 10 -4.311 -0.593 0.370 79 2HB CYS 10 1HB CYS 10 -3.435 0.906 0.636 80 H LYS 11 H LYS 11 -7.020 1.103 1.372 81 HA LYS 11 HA LYS 11 -8.541 -1.236 2.296 82 1HB LYS 11 2HB LYS 11 -9.075 1.401 1.932 83 2HB LYS 11 1HB LYS 11 -9.678 0.760 0.403 84 1HG LYS 11 2HG LYS 11 -10.635 -1.051 2.278 85 2HG LYS 11 1HG LYS 11 -10.801 0.505 3.092 86 1HD LYS 11 2HD LYS 11 -11.616 0.529 0.259 87 2HD LYS 11 1HD LYS 11 -12.612 -0.496 1.293 88 1HE LYS 11 2HE LYS 11 -13.644 1.639 1.454 89 2HE LYS 11 1HE LYS 11 -12.632 1.564 2.910 90 1HZ LYS 11 1HZ LYS 11 -12.197 3.615 1.743 91 2HZ LYS 11 2HZ LYS 11 -11.879 2.774 0.301 92 3HZ LYS 11 3HZ LYS 11 -10.834 2.612 1.631 93 H ALA 12 H ALA 12 -6.728 -0.375 -0.470 94 HA ALA 12 HA ALA 12 -7.612 -2.799 -1.897 95 1HB ALA 12 1HB ALA 12 -7.752 -0.718 -3.819 96 2HB ALA 12 2HB ALA 12 -8.657 -0.159 -2.412 97 3HB ALA 12 3HB ALA 12 -9.089 -1.681 -3.190 98 H ASP 13 H ASP 13 -6.232 -3.099 -3.904 99 HA ASP 13 HA ASP 13 -3.477 -2.738 -3.367 100 1HB ASP 13 2HB ASP 13 -5.051 -3.338 -5.884 101 2HB ASP 13 1HB ASP 13 -3.292 -3.477 -5.784 102 H ASN 14 H ASN 14 -5.713 -0.852 -5.399 103 HA ASN 14 HA ASN 14 -3.549 0.941 -6.296 104 1HB ASN 14 2HB ASN 14 -5.323 1.899 -7.653 105 2HB ASN 14 1HB ASN 14 -5.469 0.142 -7.709 106 1HD2 ASN 14 1HD2 ASN 14 -7.399 -0.790 -6.903 107 2HD2 ASN 14 2HD2 ASN 14 -8.651 0.108 -6.189 108 H ASP 15 H ASP 15 -5.109 0.697 -3.425 109 HA ASP 15 HA ASP 15 -6.004 3.405 -2.974 110 1HB ASP 15 2HB ASP 15 -5.994 0.914 -1.714 111 2HB ASP 15 1HB ASP 15 -5.217 2.020 -0.588 112 H CYS 16 H CYS 16 -2.934 1.734 -2.635 113 HA CYS 16 HA CYS 16 -1.603 3.844 -1.077 114 1HB CYS 16 2HB CYS 16 -0.610 1.497 -2.748 115 2HB CYS 16 1HB CYS 16 0.373 2.419 -1.604 116 H CYS 17 H CYS 17 0.209 5.098 -1.992 117 HA CYS 17 HA CYS 17 -0.373 6.181 -4.651 118 1HB CYS 17 2HB CYS 17 1.701 6.673 -2.500 119 2HB CYS 17 1HB CYS 17 1.702 7.548 -4.034 120 H GLY 18 H GLY 18 1.329 3.494 -3.492 121 1HA GLY 18 2HA GLY 18 3.303 3.603 -5.728 122 2HA GLY 18 1HA GLY 18 3.387 2.503 -4.347 123 H LYS 19 H LYS 19 0.212 2.560 -5.120 124 HA LYS 19 HA LYS 19 -1.193 1.024 -6.222 125 1HB LYS 19 2HB LYS 19 1.143 0.893 -8.160 126 2HB LYS 19 1HB LYS 19 -0.557 0.597 -8.526 127 1HG LYS 19 2HG LYS 19 -0.975 3.010 -7.741 128 2HG LYS 19 1HG LYS 19 0.773 3.222 -7.838 129 1HD LYS 19 2HD LYS 19 0.758 2.598 -10.199 130 2HD LYS 19 1HD LYS 19 -0.974 2.267 -10.126 131 1HE LYS 19 2HE LYS 19 -0.785 4.475 -11.049 132 2HE LYS 19 1HE LYS 19 -1.229 4.722 -9.348 133 1HZ LYS 19 1HZ LYS 19 0.839 5.939 -10.330 134 2HZ LYS 19 2HZ LYS 19 1.607 4.445 -10.071 135 3HZ LYS 19 3HZ LYS 19 0.906 5.279 -8.768 136 H LYS 20 H LYS 20 1.076 0.180 -4.338 137 HA LYS 20 HA LYS 20 0.973 -2.726 -5.021 138 1HB LYS 20 2HB LYS 20 3.399 -2.785 -4.279 139 2HB LYS 20 1HB LYS 20 3.114 -1.918 -5.790 140 1HG LYS 20 2HG LYS 20 3.178 0.218 -4.646 141 2HG LYS 20 1HG LYS 20 3.267 -0.579 -3.074 142 1HD LYS 20 2HD LYS 20 5.513 -0.183 -3.393 143 2HD LYS 20 1HD LYS 20 5.393 -1.739 -4.217 144 1HE LYS 20 2HE LYS 20 4.810 -0.289 -6.329 145 2HE LYS 20 1HE LYS 20 5.592 1.017 -5.415 146 1HZ LYS 20 1HZ LYS 20 7.589 0.056 -5.594 147 2HZ LYS 20 2HZ LYS 20 6.909 -0.862 -6.852 148 3HZ LYS 20 3HZ LYS 20 6.988 -1.499 -5.279 149 H CYS 21 H CYS 21 -0.784 -2.334 -3.246 150 HA CYS 21 HA CYS 21 0.194 -1.833 -0.533 151 1HB CYS 21 2HB CYS 21 -2.075 -1.223 -1.196 152 2HB CYS 21 1HB CYS 21 -2.407 -2.873 -1.728 153 H LYS 22 H LYS 22 0.218 -3.618 1.151 154 HA LYS 22 HA LYS 22 0.341 -6.357 -0.065 155 1HB LYS 22 2HB LYS 22 2.567 -5.080 0.271 156 2HB LYS 22 1HB LYS 22 2.304 -5.355 1.995 157 1HG LYS 22 2HG LYS 22 1.802 -7.834 0.760 158 2HG LYS 22 1HG LYS 22 3.255 -7.209 -0.018 159 1HD LYS 22 2HD LYS 22 3.988 -6.639 2.441 160 2HD LYS 22 1HD LYS 22 2.792 -7.859 2.877 161 1HE LYS 22 2HE LYS 22 3.931 -9.466 1.313 162 2HE LYS 22 1HE LYS 22 5.198 -8.248 1.063 163 1HZ LYS 22 1HZ LYS 22 5.411 -8.138 3.525 164 2HZ LYS 22 2HZ LYS 22 5.881 -9.631 2.863 165 3HZ LYS 22 3HZ LYS 22 4.378 -9.478 3.638 166 H ARG 23 H ARG 23 -0.953 -7.728 1.049 167 HA ARG 23 HA ARG 23 -2.099 -7.082 3.632 168 1HB ARG 23 2HB ARG 23 -3.667 -8.314 2.569 169 2HB ARG 23 1HB ARG 23 -2.491 -8.870 1.385 170 1HG ARG 23 2HG ARG 23 -1.718 -10.574 3.097 171 2HG ARG 23 1HG ARG 23 -3.090 -10.089 4.095 172 1HD ARG 23 2HD ARG 23 -3.217 -11.276 1.302 173 2HD ARG 23 1HD ARG 23 -3.808 -12.008 2.809 174 HE ARG 23 HE ARG 23 -4.922 -9.450 1.718 175 1HH1 ARG 23 1HH1 ARG 23 -5.250 -11.121 4.472 176 2HH1 ARG 23 2HH1 ARG 23 -6.909 -11.577 4.274 177 1HH2 ARG 23 1HH2 ARG 23 -7.050 -10.617 0.944 178 2HH2 ARG 23 2HH2 ARG 23 -7.929 -11.291 2.275 179 H ARG 24 H ARG 24 -2.073 -9.146 5.247 180 HA ARG 24 HA ARG 24 0.724 -9.566 6.017 181 1HB ARG 24 2HB ARG 24 -0.344 -10.804 7.874 182 2HB ARG 24 1HB ARG 24 -1.177 -9.270 7.615 183 1HG ARG 24 2HG ARG 24 -2.474 -11.022 5.885 184 2HG ARG 24 1HG ARG 24 -2.188 -11.997 7.326 185 1HD ARG 24 2HD ARG 24 -3.074 -9.848 8.594 186 2HD ARG 24 1HD ARG 24 -3.836 -9.503 7.028 187 HE ARG 24 HE ARG 24 -4.162 -12.268 7.989 188 1HH1 ARG 24 1HH2 ARG 24 -5.315 -9.179 8.751 189 2HH1 ARG 24 2HH2 ARG 24 -6.990 -9.584 8.587 190 1HH2 ARG 24 1HH1 ARG 24 -6.374 -12.763 7.347 191 2HH2 ARG 24 2HH1 ARG 24 -7.591 -11.613 7.794 192 H GLY 25 H GLY 25 0.626 -10.522 3.529 193 1HA GLY 25 2HA GLY 25 1.690 -12.873 3.132 194 2HA GLY 25 1HA GLY 25 0.093 -13.446 3.633 195 H THR 26 H THR 26 1.752 -13.101 0.910 196 HA THR 26 HA THR 26 1.255 -12.495 -1.320 197 HB THR 26 HB THR 26 0.066 -14.581 -1.071 198 HG1 THR 26 1HG THR 26 -0.426 -13.349 -2.926 199 1HG2 THR 26 1HG2 THR 26 -2.134 -12.922 0.188 200 2HG2 THR 26 2HG2 THR 26 -1.166 -14.167 0.976 201 3HG2 THR 26 3HG2 THR 26 -2.309 -14.607 -0.288 202 H ASN 27 H ASN 27 1.358 -10.253 -1.266 203 HA ASN 27 HA ASN 27 0.053 -8.157 -0.358 204 1HB ASN 27 2HB ASN 27 -0.077 -7.304 -2.823 205 2HB ASN 27 1HB ASN 27 1.489 -7.770 -2.163 206 1HD2 ASN 27 1HD2 ASN 27 -0.825 -10.324 -2.903 207 2HD2 ASN 27 2HD2 ASN 27 -0.034 -10.891 -4.290 208 H ALA 28 H ALA 28 -2.036 -7.193 -0.280 209 HA ALA 28 HA ALA 28 -4.130 -7.842 -2.117 210 1HB ALA 28 1HB ALA 28 -4.460 -9.949 -1.338 211 2HB ALA 28 2HB ALA 28 -5.346 -9.130 -0.054 212 3HB ALA 28 3HB ALA 28 -3.670 -9.607 0.199 213 H GLU 29 H GLU 29 -3.635 -6.970 1.361 214 HA GLU 29 HA GLU 29 -4.941 -4.438 1.006 215 1HB GLU 29 2HB GLU 29 -6.686 -6.447 0.740 216 2HB GLU 29 1HB GLU 29 -6.752 -6.265 2.491 217 1HG GLU 29 2HG GLU 29 -6.803 -3.646 1.441 218 2HG GLU 29 1HG GLU 29 -7.925 -4.587 0.457 219 H LYS 30 H LYS 30 -2.690 -4.804 2.563 220 HA LYS 30 HA LYS 30 -3.845 -4.420 5.291 221 1HB LYS 30 2HB LYS 30 -1.354 -5.855 4.485 222 2HB LYS 30 1HB LYS 30 -1.465 -5.094 6.061 223 1HG LYS 30 2HG LYS 30 -3.325 -7.220 4.961 224 2HG LYS 30 1HG LYS 30 -2.189 -7.395 6.299 225 1HD LYS 30 2HD LYS 30 -4.718 -5.743 6.197 226 2HD LYS 30 1HD LYS 30 -4.305 -7.036 7.321 227 1HE LYS 30 2HE LYS 30 -2.857 -4.365 7.157 228 2HE LYS 30 1HE LYS 30 -4.045 -4.810 8.399 229 1HZ LYS 30 1HZ LYS 30 -1.937 -5.372 9.277 230 2HZ LYS 30 2HZ LYS 30 -1.441 -6.113 7.830 231 3HZ LYS 30 3HZ LYS 30 -2.642 -6.837 8.789 232 H ARG 31 H ARG 31 -0.472 -3.890 4.593 233 HA ARG 31 HA ARG 31 -1.017 -0.948 4.795 234 1HB ARG 31 2HB ARG 31 0.230 -1.807 6.676 235 2HB ARG 31 1HB ARG 31 1.338 -2.669 5.611 236 1HG ARG 31 2HG ARG 31 2.558 -0.805 5.168 237 2HG ARG 31 1HG ARG 31 1.125 0.221 5.069 238 1HD ARG 31 2HD ARG 31 2.655 0.734 7.038 239 2HD ARG 31 1HD ARG 31 0.985 0.352 7.498 240 HE ARG 31 HE ARG 31 3.033 -1.819 7.419 241 1HH1 ARG 31 1HH1 ARG 31 2.949 -0.015 9.891 242 2HH1 ARG 31 2HH1 ARG 31 1.922 -0.939 10.936 243 1HH2 ARG 31 1HH2 ARG 31 0.720 -2.970 8.395 244 2HH2 ARG 31 2HH2 ARG 31 0.661 -2.614 10.089 245 H CYS 32 H CYS 32 0.215 0.441 3.425 246 HA CYS 32 HA CYS 32 0.653 -0.504 0.750 247 1HB CYS 32 2HB CYS 32 1.524 1.978 2.262 248 2HB CYS 32 1HB CYS 32 1.663 1.789 0.510 249 H ARG 33 H ARG 33 2.342 -1.798 0.130 250 HA ARG 33 HA ARG 33 5.067 -1.174 1.156 251 1HB ARG 33 2HB ARG 33 3.737 -3.903 1.247 252 2HB ARG 33 1HB ARG 33 5.380 -3.537 1.777 253 1HG ARG 33 2HG ARG 33 4.241 -1.773 3.320 254 2HG ARG 33 1HG ARG 33 2.770 -2.699 3.024 255 1HD ARG 33 2HD ARG 33 4.760 -4.618 3.602 256 2HD ARG 33 1HD ARG 33 4.959 -3.331 4.806 257 HE ARG 33 HE ARG 33 2.163 -3.858 4.475 258 1HH1 ARG 33 1HH1 ARG 33 2.939 -6.672 4.577 259 2HH1 ARG 33 2HH1 ARG 33 3.077 -6.997 6.273 260 1HH2 ARG 33 1HH2 ARG 33 3.270 -3.653 7.165 261 2HH2 ARG 33 2HH2 ARG 33 3.263 -5.286 7.738 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -7.931 12.452 -6.002 2 2H GLY 1 2HT GLY 1 -9.550 12.125 -5.600 3 3H GLY 1 3HT GLY 1 -9.013 11.926 -7.200 4 1HA GLY 1 2HA GLY 1 -9.291 9.830 -5.840 5 2HA GLY 1 1HA GLY 1 -7.757 10.038 -6.685 6 H ASP 2 H ASP 2 -6.166 11.494 -5.252 7 HA ASP 2 HA ASP 2 -4.880 11.623 -3.272 8 1HB ASP 2 2HB ASP 2 -7.558 11.906 -2.603 9 2HB ASP 2 1HB ASP 2 -7.015 10.617 -1.529 10 H CYS 3 H CYS 3 -3.448 9.889 -3.594 11 HA CYS 3 HA CYS 3 -4.348 7.133 -2.940 12 1HB CYS 3 2HB CYS 3 -2.118 6.567 -3.894 13 2HB CYS 3 1HB CYS 3 -3.062 7.580 -4.993 14 H LEU 4 H LEU 4 -3.044 5.843 -1.415 15 HA LEU 4 HA LEU 4 -2.154 7.457 0.901 16 1HB LEU 4 2HB LEU 4 -2.496 4.465 0.504 17 2HB LEU 4 1HB LEU 4 -2.320 5.298 2.051 18 HG LEU 4 HG LEU 4 -4.416 6.580 0.602 19 1HD1 LEU 4 1HD1 LEU 4 -5.504 4.938 -0.477 20 2HD1 LEU 4 2HD1 LEU 4 -5.605 4.011 1.020 21 3HD1 LEU 4 3HD1 LEU 4 -4.215 3.812 -0.049 22 1HD2 LEU 4 1HD2 LEU 4 -4.051 5.041 3.139 23 2HD2 LEU 4 2HD2 LEU 4 -5.701 5.334 2.590 24 3HD2 LEU 4 3HD2 LEU 4 -4.621 6.694 2.902 25 HA PRO 5 HA PRO 5 2.152 6.935 0.205 26 1HB PRO 5 2HB PRO 5 3.031 6.498 2.763 27 2HB PRO 5 1HB PRO 5 2.470 8.089 2.199 28 1HG PRO 5 2HG PRO 5 0.943 5.971 3.673 29 2HG PRO 5 1HG PRO 5 1.054 7.706 4.018 30 1HD PRO 5 2HD PRO 5 -1.054 6.717 2.765 31 2HD PRO 5 1HD PRO 5 -0.350 8.271 2.251 32 H HIS 6 H HIS 6 4.009 5.259 0.875 33 HA HIS 6 HA HIS 6 2.917 2.616 0.462 34 1HB HIS 6 2HB HIS 6 4.988 2.124 -0.447 35 2HB HIS 6 1HB HIS 6 4.996 3.875 -0.631 36 HD1 HIS 6 1HD HIS 6 6.662 5.208 0.785 37 HD2 HIS 6 2HD HIS 6 6.606 1.161 1.761 38 HE1 HIS 6 1HE HIS 6 8.653 4.795 2.290 39 H LEU 7 H LEU 7 2.528 3.883 3.032 40 HA LEU 7 HA LEU 7 3.504 1.751 4.723 41 1HB LEU 7 2HB LEU 7 4.960 4.091 4.445 42 2HB LEU 7 1HB LEU 7 4.032 4.365 5.920 43 HG LEU 7 HG LEU 7 6.235 3.276 6.350 44 1HD1 LEU 7 1HD1 LEU 7 3.839 1.506 6.920 45 2HD1 LEU 7 2HD1 LEU 7 4.276 2.937 7.852 46 3HD1 LEU 7 3HD1 LEU 7 5.349 1.537 7.830 47 1HD2 LEU 7 1HD2 LEU 7 5.061 0.825 5.032 48 2HD2 LEU 7 2HD2 LEU 7 6.723 1.094 5.557 49 3HD2 LEU 7 3HD2 LEU 7 6.095 1.949 4.149 50 H LYS 8 H LYS 8 0.883 2.762 3.806 51 HA LYS 8 HA LYS 8 -0.313 3.336 6.493 52 1HB LYS 8 2HB LYS 8 -0.457 4.762 3.903 53 2HB LYS 8 1HB LYS 8 -2.011 4.523 4.701 54 1HG LYS 8 2HG LYS 8 0.027 5.334 6.605 55 2HG LYS 8 1HG LYS 8 -0.130 6.508 5.298 56 1HD LYS 8 2HD LYS 8 -1.721 7.154 6.968 57 2HD LYS 8 1HD LYS 8 -2.648 6.399 5.670 58 1HE LYS 8 2HE LYS 8 -3.514 5.014 7.248 59 2HE LYS 8 1HE LYS 8 -1.905 4.274 7.365 60 1HZ LYS 8 1HZ LYS 8 -2.411 5.084 9.514 61 2HZ LYS 8 2HZ LYS 8 -2.962 6.574 8.912 62 3HZ LYS 8 3HZ LYS 8 -1.308 6.190 8.851 63 H ARG 9 H ARG 9 -2.430 2.394 6.784 64 HA ARG 9 HA ARG 9 -2.832 -0.150 5.567 65 1HB ARG 9 2HB ARG 9 -3.899 0.007 7.602 66 2HB ARG 9 1HB ARG 9 -4.219 1.727 7.405 67 1HG ARG 9 2HG ARG 9 -6.295 0.307 7.424 68 2HG ARG 9 1HG ARG 9 -6.111 1.270 5.958 69 1HD ARG 9 2HD ARG 9 -6.187 -0.619 4.717 70 2HD ARG 9 1HD ARG 9 -4.753 -1.231 5.566 71 HE ARG 9 HE ARG 9 -6.265 -2.675 6.657 72 1HH1 ARG 9 1HH1 ARG 9 -8.366 -0.745 5.061 73 2HH1 ARG 9 2HH1 ARG 9 -9.536 -0.596 6.330 74 1HH2 ARG 9 1HH2 ARG 9 -7.486 -1.998 8.749 75 2HH2 ARG 9 2HH2 ARG 9 -9.038 -1.305 8.416 76 H CYS 10 H CYS 10 -4.045 -0.756 3.756 77 HA CYS 10 HA CYS 10 -5.419 1.466 2.275 78 1HB CYS 10 2HB CYS 10 -4.439 0.633 0.262 79 2HB CYS 10 1HB CYS 10 -3.142 0.649 1.449 80 H LYS 11 H LYS 11 -7.433 0.980 1.433 81 HA LYS 11 HA LYS 11 -8.691 -1.556 2.261 82 1HB LYS 11 2HB LYS 11 -9.696 0.789 2.391 83 2HB LYS 11 1HB LYS 11 -9.824 0.739 0.632 84 1HG LYS 11 2HG LYS 11 -11.940 -0.007 1.446 85 2HG LYS 11 1HG LYS 11 -11.089 -1.465 0.930 86 1HD LYS 11 2HD LYS 11 -10.320 -1.770 3.307 87 2HD LYS 11 1HD LYS 11 -11.368 -0.426 3.764 88 1HE LYS 11 2HE LYS 11 -13.250 -1.774 2.559 89 2HE LYS 11 1HE LYS 11 -12.148 -3.154 2.739 90 1HZ LYS 11 1HZ LYS 11 -13.330 -1.451 4.843 91 2HZ LYS 11 2HZ LYS 11 -11.884 -2.297 5.127 92 3HZ LYS 11 3HZ LYS 11 -13.305 -3.143 4.739 93 H ALA 12 H ALA 12 -7.004 -0.372 -0.440 94 HA ALA 12 HA ALA 12 -7.772 -2.738 -2.040 95 1HB ALA 12 1HB ALA 12 -9.417 -1.155 -2.763 96 2HB ALA 12 2HB ALA 12 -8.165 -1.126 -4.005 97 3HB ALA 12 3HB ALA 12 -8.239 0.157 -2.797 98 H ASP 13 H ASP 13 -5.920 -3.504 -3.017 99 HA ASP 13 HA ASP 13 -3.342 -2.671 -2.600 100 1HB ASP 13 2HB ASP 13 -4.441 -3.690 -5.234 101 2HB ASP 13 1HB ASP 13 -2.802 -3.927 -4.617 102 H ASN 14 H ASN 14 -5.625 -1.241 -4.882 103 HA ASN 14 HA ASN 14 -3.549 0.484 -6.090 104 1HB ASN 14 2HB ASN 14 -5.306 1.061 -7.613 105 2HB ASN 14 1HB ASN 14 -5.493 -0.662 -7.279 106 1HD2 ASN 14 1HD2 ASN 14 -7.448 -1.346 -6.303 107 2HD2 ASN 14 2HD2 ASN 14 -8.668 -0.283 -5.792 108 H ASP 15 H ASP 15 -4.914 0.695 -3.156 109 HA ASP 15 HA ASP 15 -5.946 3.438 -3.267 110 1HB ASP 15 2HB ASP 15 -6.110 1.201 -1.607 111 2HB ASP 15 1HB ASP 15 -5.389 2.469 -0.626 112 H CYS 16 H CYS 16 -2.907 1.894 -2.731 113 HA CYS 16 HA CYS 16 -1.622 4.062 -1.202 114 1HB CYS 16 2HB CYS 16 -0.457 1.796 -2.869 115 2HB CYS 16 1HB CYS 16 0.308 2.621 -1.512 116 H CYS 17 H CYS 17 0.331 5.158 -2.222 117 HA CYS 17 HA CYS 17 -0.377 6.349 -4.804 118 1HB CYS 17 2HB CYS 17 1.937 6.654 -2.863 119 2HB CYS 17 1HB CYS 17 1.714 7.662 -4.297 120 H GLY 18 H GLY 18 1.461 3.658 -3.710 121 1HA GLY 18 2HA GLY 18 3.167 3.673 -6.147 122 2HA GLY 18 1HA GLY 18 3.352 2.583 -4.769 123 H LYS 19 H LYS 19 0.151 2.608 -5.122 124 HA LYS 19 HA LYS 19 -1.406 1.139 -6.129 125 1HB LYS 19 2HB LYS 19 0.727 0.831 -8.262 126 2HB LYS 19 1HB LYS 19 -1.016 0.659 -8.454 127 1HG LYS 19 2HG LYS 19 -0.917 3.181 -7.482 128 2HG LYS 19 1HG LYS 19 0.633 3.122 -8.322 129 1HD LYS 19 2HD LYS 19 -0.387 3.289 -10.322 130 2HD LYS 19 1HD LYS 19 -1.414 1.901 -9.953 131 1HE LYS 19 2HE LYS 19 -2.906 3.438 -8.623 132 2HE LYS 19 1HE LYS 19 -1.937 4.801 -9.217 133 1HZ LYS 19 1HZ LYS 19 -3.992 4.001 -10.575 134 2HZ LYS 19 2HZ LYS 19 -2.929 2.793 -11.124 135 3HZ LYS 19 3HZ LYS 19 -2.563 4.431 -11.383 136 H LYS 20 H LYS 20 1.289 0.306 -4.646 137 HA LYS 20 HA LYS 20 0.926 -2.620 -5.149 138 1HB LYS 20 2HB LYS 20 3.179 -0.937 -5.575 139 2HB LYS 20 1HB LYS 20 3.551 -1.940 -4.173 140 1HG LYS 20 2HG LYS 20 2.436 -3.802 -5.800 141 2HG LYS 20 1HG LYS 20 3.149 -2.725 -7.002 142 1HD LYS 20 2HD LYS 20 4.947 -3.224 -4.750 143 2HD LYS 20 1HD LYS 20 4.501 -4.705 -5.598 144 1HE LYS 20 2HE LYS 20 6.362 -3.967 -6.841 145 2HE LYS 20 1HE LYS 20 5.014 -3.269 -7.761 146 1HZ LYS 20 1HZ LYS 20 6.758 -1.624 -7.162 147 2HZ LYS 20 2HZ LYS 20 6.391 -1.885 -5.523 148 3HZ LYS 20 3HZ LYS 20 5.220 -1.230 -6.564 149 H CYS 21 H CYS 21 -0.617 -2.400 -3.270 150 HA CYS 21 HA CYS 21 0.498 -1.651 -0.677 151 1HB CYS 21 2HB CYS 21 -1.944 -1.545 -1.600 152 2HB CYS 21 1HB CYS 21 -2.023 -3.246 -1.135 153 H LYS 22 H LYS 22 -0.189 -3.704 1.054 154 HA LYS 22 HA LYS 22 0.741 -6.267 -0.089 155 1HB LYS 22 2HB LYS 22 2.697 -4.637 0.439 156 2HB LYS 22 1HB LYS 22 2.352 -5.020 2.127 157 1HG LYS 22 2HG LYS 22 2.740 -7.193 0.066 158 2HG LYS 22 1HG LYS 22 4.109 -6.482 0.923 159 1HD LYS 22 2HD LYS 22 2.175 -7.032 2.899 160 2HD LYS 22 1HD LYS 22 2.212 -8.455 1.857 161 1HE LYS 22 2HE LYS 22 4.156 -9.100 2.819 162 2HE LYS 22 1HE LYS 22 4.918 -7.584 2.294 163 1HZ LYS 22 1HZ LYS 22 4.726 -7.996 4.797 164 2HZ LYS 22 2HZ LYS 22 3.073 -7.661 4.602 165 3HZ LYS 22 3HZ LYS 22 4.233 -6.482 4.211 166 H ARG 23 H ARG 23 -0.830 -7.549 0.805 167 HA ARG 23 HA ARG 23 -1.948 -7.159 3.460 168 1HB ARG 23 2HB ARG 23 -3.407 -8.852 2.784 169 2HB ARG 23 1HB ARG 23 -2.913 -8.175 1.236 170 1HG ARG 23 2HG ARG 23 -2.359 -10.306 0.686 171 2HG ARG 23 1HG ARG 23 -0.950 -10.066 1.714 172 1HD ARG 23 2HD ARG 23 -1.835 -11.963 2.722 173 2HD ARG 23 1HD ARG 23 -2.747 -10.730 3.615 174 HE ARG 23 HE ARG 23 -4.007 -11.438 1.088 175 1HH1 ARG 23 1HH2 ARG 23 -3.588 -14.013 2.657 176 2HH1 ARG 23 2HH2 ARG 23 -5.073 -14.111 3.544 177 1HH2 ARG 23 1HH1 ARG 23 -5.926 -10.794 2.987 178 2HH2 ARG 23 2HH1 ARG 23 -6.399 -12.284 3.731 179 H ARG 24 H ARG 24 -1.987 -9.374 4.838 180 HA ARG 24 HA ARG 24 0.860 -10.001 5.392 181 1HB ARG 24 2HB ARG 24 -1.755 -10.051 6.781 182 2HB ARG 24 1HB ARG 24 -0.644 -11.343 7.240 183 1HG ARG 24 2HG ARG 24 1.039 -9.807 7.912 184 2HG ARG 24 1HG ARG 24 0.242 -8.459 7.102 185 1HD ARG 24 2HD ARG 24 -0.923 -7.996 8.986 186 2HD ARG 24 1HD ARG 24 -1.584 -9.644 9.002 187 HE ARG 24 HE ARG 24 0.708 -8.723 10.551 188 1HH1 ARG 24 1HH2 ARG 24 -1.076 -10.782 11.622 189 2HH1 ARG 24 2HH2 ARG 24 -0.176 -12.245 11.406 190 1HH2 ARG 24 1HH1 ARG 24 2.015 -10.867 9.099 191 2HH2 ARG 24 2HH1 ARG 24 1.576 -12.294 9.976 192 H GLY 25 H GLY 25 0.461 -11.146 3.039 193 1HA GLY 25 2HA GLY 25 0.847 -13.920 3.400 194 2HA GLY 25 1HA GLY 25 -0.858 -13.691 3.007 195 H THR 26 H THR 26 -1.370 -12.612 0.953 196 HA THR 26 HA THR 26 0.871 -12.539 -1.021 197 HB THR 26 HB THR 26 0.008 -14.745 -1.257 198 HG1 THR 26 1HG THR 26 0.034 -14.054 -3.277 199 1HG2 THR 26 1HG2 THR 26 -2.438 -15.190 -1.386 200 2HG2 THR 26 2HG2 THR 26 -2.741 -13.484 -1.053 201 3HG2 THR 26 3HG2 THR 26 -1.963 -14.496 0.165 202 H ASN 27 H ASN 27 0.126 -10.156 -0.384 203 HA ASN 27 HA ASN 27 -0.864 -8.156 -1.156 204 1HB ASN 27 2HB ASN 27 -1.933 -9.629 -3.524 205 2HB ASN 27 1HB ASN 27 -1.108 -8.076 -3.454 206 1HD2 ASN 27 1HD2 ASN 27 1.238 -8.929 -1.979 207 2HD2 ASN 27 2HD2 ASN 27 2.125 -9.973 -2.979 208 H ALA 28 H ALA 28 -2.862 -7.176 -0.852 209 HA ALA 28 HA ALA 28 -5.410 -8.249 -1.434 210 1HB ALA 28 1HB ALA 28 -5.824 -9.725 0.229 211 2HB ALA 28 2HB ALA 28 -5.262 -8.587 1.452 212 3HB ALA 28 3HB ALA 28 -4.109 -9.632 0.625 213 H GLU 29 H GLU 29 -4.168 -6.845 1.615 214 HA GLU 29 HA GLU 29 -4.751 -4.132 1.031 215 1HB GLU 29 2HB GLU 29 -7.021 -4.116 2.299 216 2HB GLU 29 1HB GLU 29 -7.004 -4.679 0.632 217 1HG GLU 29 2HG GLU 29 -7.558 -6.799 1.222 218 2HG GLU 29 1HG GLU 29 -6.441 -6.800 2.587 219 H LYS 30 H LYS 30 -2.730 -4.978 2.644 220 HA LYS 30 HA LYS 30 -3.708 -4.637 5.435 221 1HB LYS 30 2HB LYS 30 -1.329 -5.862 4.198 222 2HB LYS 30 1HB LYS 30 -1.167 -5.185 5.805 223 1HG LYS 30 2HG LYS 30 -1.878 -7.685 5.580 224 2HG LYS 30 1HG LYS 30 -2.710 -6.662 6.744 225 1HD LYS 30 2HD LYS 30 -4.526 -6.274 5.118 226 2HD LYS 30 1HD LYS 30 -3.700 -7.299 3.945 227 1HE LYS 30 2HE LYS 30 -4.498 -9.185 4.921 228 2HE LYS 30 1HE LYS 30 -3.998 -8.632 6.532 229 1HZ LYS 30 1HZ LYS 30 -5.933 -6.951 6.191 230 2HZ LYS 30 2HZ LYS 30 -6.273 -8.530 6.717 231 3HZ LYS 30 3HZ LYS 30 -6.506 -8.107 5.088 232 H ARG 31 H ARG 31 -0.519 -3.854 4.231 233 HA ARG 31 HA ARG 31 -1.034 -0.952 4.814 234 1HB ARG 31 2HB ARG 31 0.991 -2.910 5.795 235 2HB ARG 31 1HB ARG 31 1.572 -1.278 5.460 236 1HG ARG 31 2HG ARG 31 -0.884 -0.979 6.830 237 2HG ARG 31 1HG ARG 31 0.025 -2.211 7.704 238 1HD ARG 31 2HD ARG 31 1.715 -0.744 8.293 239 2HD ARG 31 1HD ARG 31 1.503 0.245 6.835 240 HE ARG 31 HE ARG 31 -0.012 1.539 8.091 241 1HH1 ARG 31 1HH1 ARG 31 0.942 -0.594 10.330 242 2HH1 ARG 31 2HH1 ARG 31 -0.595 -0.845 11.088 243 1HH2 ARG 31 1HH2 ARG 31 -2.388 0.744 8.578 244 2HH2 ARG 31 2HH2 ARG 31 -2.483 -0.087 10.095 245 H CYS 32 H CYS 32 -0.054 0.484 3.338 246 HA CYS 32 HA CYS 32 0.625 -0.505 0.719 247 1HB CYS 32 2HB CYS 32 1.132 2.157 2.083 248 2HB CYS 32 1HB CYS 32 1.273 1.873 0.347 249 H ARG 33 H ARG 33 2.688 -0.800 -0.250 250 HA ARG 33 HA ARG 33 5.132 -0.126 1.296 251 1HB ARG 33 2HB ARG 33 4.561 -2.996 0.480 252 2HB ARG 33 1HB ARG 33 5.844 -2.411 1.536 253 1HG ARG 33 2HG ARG 33 4.113 -1.676 3.175 254 2HG ARG 33 1HG ARG 33 2.874 -2.371 2.133 255 1HD ARG 33 2HD ARG 33 4.158 -4.582 2.307 256 2HD ARG 33 1HD ARG 33 5.061 -3.822 3.633 257 HE ARG 33 HE ARG 33 2.076 -3.774 3.717 258 1HH1 ARG 33 1HH2 ARG 33 4.508 -3.178 5.739 259 2HH1 ARG 33 2HH2 ARG 33 4.168 -4.414 6.903 260 1HH2 ARG 33 1HH1 ARG 33 1.896 -6.066 4.875 261 2HH2 ARG 33 2HH1 ARG 33 2.689 -6.048 6.413 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -1.516 12.086 -6.516 2 2H GLY 1 2HT GLY 1 -2.512 13.460 -6.572 3 3H GLY 1 3HT GLY 1 -1.925 12.776 -8.011 4 1HA GLY 1 2HA GLY 1 -4.257 12.212 -7.653 5 2HA GLY 1 1HA GLY 1 -3.221 10.785 -7.651 6 H ASP 2 H ASP 2 -5.818 11.106 -6.317 7 HA ASP 2 HA ASP 2 -5.344 11.414 -3.456 8 1HB ASP 2 2HB ASP 2 -7.712 10.567 -3.385 9 2HB ASP 2 1HB ASP 2 -7.491 11.928 -4.485 10 H CYS 3 H CYS 3 -3.477 9.777 -3.474 11 HA CYS 3 HA CYS 3 -4.558 6.993 -3.163 12 1HB CYS 3 2HB CYS 3 -2.250 6.314 -3.931 13 2HB CYS 3 1HB CYS 3 -3.187 7.177 -5.154 14 H LEU 4 H LEU 4 -3.318 5.686 -1.553 15 HA LEU 4 HA LEU 4 -2.656 7.292 0.819 16 1HB LEU 4 2HB LEU 4 -2.354 4.303 0.516 17 2HB LEU 4 1HB LEU 4 -2.805 5.218 1.949 18 HG LEU 4 HG LEU 4 -4.490 4.619 -0.478 19 1HD1 LEU 4 1HD1 LEU 4 -5.655 4.410 2.185 20 2HD1 LEU 4 2HD1 LEU 4 -4.219 3.402 1.999 21 3HD1 LEU 4 3HD1 LEU 4 -5.581 3.209 0.896 22 1HD2 LEU 4 1HD2 LEU 4 -4.507 6.997 1.214 23 2HD2 LEU 4 2HD2 LEU 4 -6.042 6.130 1.267 24 3HD2 LEU 4 3HD2 LEU 4 -5.393 6.681 -0.277 25 HA PRO 5 HA PRO 5 1.725 7.248 0.467 26 1HB PRO 5 2HB PRO 5 2.499 6.587 3.009 27 2HB PRO 5 1HB PRO 5 1.802 8.172 2.599 28 1HG PRO 5 2HG PRO 5 0.454 5.755 3.732 29 2HG PRO 5 1HG PRO 5 0.331 7.444 4.253 30 1HD PRO 5 2HD PRO 5 -1.560 6.326 2.753 31 2HD PRO 5 1HD PRO 5 -1.065 8.015 2.488 32 H HIS 6 H HIS 6 3.700 5.721 0.944 33 HA HIS 6 HA HIS 6 2.918 3.021 0.257 34 1HB HIS 6 2HB HIS 6 4.631 4.069 -1.073 35 2HB HIS 6 1HB HIS 6 5.535 4.511 0.375 36 HD1 HIS 6 1HD HIS 6 7.634 3.137 -0.201 37 HD2 HIS 6 2HD HIS 6 4.150 0.848 -0.086 38 HE1 HIS 6 1HE HIS 6 8.366 0.713 -0.244 39 H LEU 7 H LEU 7 2.512 4.035 2.975 40 HA LEU 7 HA LEU 7 3.607 1.813 4.417 41 1HB LEU 7 2HB LEU 7 4.816 4.482 4.434 42 2HB LEU 7 1HB LEU 7 4.493 3.849 6.048 43 HG LEU 7 HG LEU 7 6.132 2.540 3.863 44 1HD1 LEU 7 1HD1 LEU 7 7.701 3.799 4.921 45 2HD1 LEU 7 2HD1 LEU 7 7.590 2.572 6.185 46 3HD1 LEU 7 3HD1 LEU 7 6.669 4.071 6.325 47 1HD2 LEU 7 1HD2 LEU 7 6.476 0.852 5.860 48 2HD2 LEU 7 2HD2 LEU 7 5.063 0.692 4.817 49 3HD2 LEU 7 3HD2 LEU 7 4.911 1.468 6.393 50 H LYS 8 H LYS 8 0.938 2.495 3.981 51 HA LYS 8 HA LYS 8 0.046 3.026 6.762 52 1HB LYS 8 2HB LYS 8 0.228 5.197 5.500 53 2HB LYS 8 1HB LYS 8 -0.963 4.576 4.357 54 1HG LYS 8 2HG LYS 8 -2.310 5.761 5.856 55 2HG LYS 8 1HG LYS 8 -2.394 4.124 6.510 56 1HD LYS 8 2HD LYS 8 -0.488 4.703 8.037 57 2HD LYS 8 1HD LYS 8 -0.589 6.366 7.460 58 1HE LYS 8 2HE LYS 8 -2.568 6.778 8.578 59 2HE LYS 8 1HE LYS 8 -3.118 5.096 8.436 60 1HZ LYS 8 1HZ LYS 8 -1.244 6.283 10.357 61 2HZ LYS 8 2HZ LYS 8 -0.977 4.679 9.868 62 3HZ LYS 8 3HZ LYS 8 -2.444 5.110 10.608 63 H ARG 9 H ARG 9 -1.817 1.862 7.232 64 HA ARG 9 HA ARG 9 -2.680 -0.339 5.806 65 1HB ARG 9 2HB ARG 9 -3.399 1.004 8.087 66 2HB ARG 9 1HB ARG 9 -4.836 1.235 7.091 67 1HG ARG 9 2HG ARG 9 -3.838 -1.501 6.934 68 2HG ARG 9 1HG ARG 9 -4.226 -1.036 8.591 69 1HD ARG 9 2HD ARG 9 -6.418 -1.347 8.114 70 2HD ARG 9 1HD ARG 9 -6.317 -0.022 6.937 71 HE ARG 9 HE ARG 9 -5.137 -2.276 5.717 72 1HH1 ARG 9 1HH2 ARG 9 -8.104 -0.724 6.289 73 2HH1 ARG 9 2HH2 ARG 9 -9.065 -1.930 5.503 74 1HH2 ARG 9 1HH1 ARG 9 -6.402 -4.090 4.988 75 2HH2 ARG 9 2HH1 ARG 9 -8.100 -3.839 4.766 76 H CYS 10 H CYS 10 -3.806 -0.655 3.916 77 HA CYS 10 HA CYS 10 -5.176 1.733 2.710 78 1HB CYS 10 2HB CYS 10 -4.322 1.000 0.592 79 2HB CYS 10 1HB CYS 10 -2.974 0.893 1.723 80 H LYS 11 H LYS 11 -7.034 1.193 1.323 81 HA LYS 11 HA LYS 11 -8.545 -1.144 2.361 82 1HB LYS 11 2HB LYS 11 -9.173 1.366 0.799 83 2HB LYS 11 1HB LYS 11 -10.371 0.088 1.007 84 1HG LYS 11 2HG LYS 11 -10.858 1.368 2.867 85 2HG LYS 11 1HG LYS 11 -9.628 0.309 3.558 86 1HD LYS 11 2HD LYS 11 -8.283 2.067 3.959 87 2HD LYS 11 1HD LYS 11 -8.345 2.535 2.259 88 1HE LYS 11 2HE LYS 11 -10.321 3.864 2.605 89 2HE LYS 11 1HE LYS 11 -10.546 3.208 4.238 90 1HZ LYS 11 1HZ LYS 11 -9.355 5.030 4.805 91 2HZ LYS 11 2HZ LYS 11 -8.621 5.174 3.279 92 3HZ LYS 11 3HZ LYS 11 -8.039 4.041 4.403 93 H ALA 12 H ALA 12 -6.837 -0.099 -0.480 94 HA ALA 12 HA ALA 12 -7.521 -2.655 -1.822 95 1HB ALA 12 1HB ALA 12 -8.618 -0.042 -2.446 96 2HB ALA 12 2HB ALA 12 -9.044 -1.612 -3.128 97 3HB ALA 12 3HB ALA 12 -7.717 -0.680 -3.822 98 H ASP 13 H ASP 13 -6.075 -3.029 -3.714 99 HA ASP 13 HA ASP 13 -3.352 -2.504 -3.164 100 1HB ASP 13 2HB ASP 13 -4.771 -3.281 -5.729 101 2HB ASP 13 1HB ASP 13 -3.042 -3.487 -5.426 102 H ASN 14 H ASN 14 -5.621 -0.882 -5.384 103 HA ASN 14 HA ASN 14 -3.546 0.911 -6.437 104 1HB ASN 14 2HB ASN 14 -6.563 1.053 -6.690 105 2HB ASN 14 1HB ASN 14 -5.362 1.719 -7.799 106 1HD2 ASN 14 1HD2 ASN 14 -4.143 0.184 -9.150 107 2HD2 ASN 14 2HD2 ASN 14 -4.709 -1.398 -9.392 108 H ASP 15 H ASP 15 -5.380 0.850 -3.592 109 HA ASP 15 HA ASP 15 -6.130 3.574 -3.270 110 1HB ASP 15 2HB ASP 15 -6.090 1.175 -1.831 111 2HB ASP 15 1HB ASP 15 -5.323 2.379 -0.800 112 H CYS 16 H CYS 16 -3.111 1.879 -2.545 113 HA CYS 16 HA CYS 16 -1.807 4.147 -1.253 114 1HB CYS 16 2HB CYS 16 -0.746 1.611 -2.563 115 2HB CYS 16 1HB CYS 16 0.137 2.629 -1.419 116 H CYS 17 H CYS 17 0.120 5.211 -2.200 117 HA CYS 17 HA CYS 17 -0.343 6.079 -4.951 118 1HB CYS 17 2HB CYS 17 1.848 6.630 -2.915 119 2HB CYS 17 1HB CYS 17 1.623 7.526 -4.422 120 H GLY 18 H GLY 18 1.324 3.468 -3.518 121 1HA GLY 18 2HA GLY 18 3.305 3.332 -5.737 122 2HA GLY 18 1HA GLY 18 3.311 2.313 -4.293 123 H LYS 19 H LYS 19 0.177 2.351 -4.975 124 HA LYS 19 HA LYS 19 -1.285 0.790 -5.965 125 1HB LYS 19 2HB LYS 19 -0.138 2.020 -7.934 126 2HB LYS 19 1HB LYS 19 0.850 0.567 -8.100 127 1HG LYS 19 2HG LYS 19 -1.075 -0.802 -8.509 128 2HG LYS 19 1HG LYS 19 -2.173 0.496 -8.041 129 1HD LYS 19 2HD LYS 19 -2.222 1.221 -10.168 130 2HD LYS 19 1HD LYS 19 -0.480 1.495 -10.112 131 1HE LYS 19 2HE LYS 19 -0.044 -0.808 -10.801 132 2HE LYS 19 1HE LYS 19 -1.777 -1.185 -10.734 133 1HZ LYS 19 1HZ LYS 19 -2.205 0.492 -12.389 134 2HZ LYS 19 2HZ LYS 19 -1.041 -0.587 -12.991 135 3HZ LYS 19 3HZ LYS 19 -0.571 0.944 -12.422 136 H LYS 20 H LYS 20 1.243 0.010 -4.338 137 HA LYS 20 HA LYS 20 1.098 -2.911 -4.963 138 1HB LYS 20 2HB LYS 20 3.304 -1.069 -5.144 139 2HB LYS 20 1HB LYS 20 3.642 -2.243 -3.871 140 1HG LYS 20 2HG LYS 20 2.546 -3.774 -5.930 141 2HG LYS 20 1HG LYS 20 3.590 -2.620 -6.760 142 1HD LYS 20 2HD LYS 20 4.789 -3.750 -4.325 143 2HD LYS 20 1HD LYS 20 4.459 -4.950 -5.576 144 1HE LYS 20 2HE LYS 20 5.580 -2.569 -6.783 145 2HE LYS 20 1HE LYS 20 6.648 -3.167 -5.497 146 1HZ LYS 20 1HZ LYS 20 7.176 -4.417 -7.415 147 2HZ LYS 20 2HZ LYS 20 5.542 -4.684 -7.794 148 3HZ LYS 20 3HZ LYS 20 6.238 -5.444 -6.443 149 H CYS 21 H CYS 21 -0.609 -2.188 -3.107 150 HA CYS 21 HA CYS 21 0.565 -1.848 -0.458 151 1HB CYS 21 2HB CYS 21 -1.719 -1.084 -1.408 152 2HB CYS 21 1HB CYS 21 -2.245 -2.742 -1.106 153 H LYS 22 H LYS 22 1.149 -3.577 0.914 154 HA LYS 22 HA LYS 22 0.854 -6.314 -0.174 155 1HB LYS 22 2HB LYS 22 2.941 -5.151 0.866 156 2HB LYS 22 1HB LYS 22 2.184 -5.533 2.413 157 1HG LYS 22 2HG LYS 22 2.016 -7.862 0.782 158 2HG LYS 22 1HG LYS 22 3.674 -7.269 0.685 159 1HD LYS 22 2HD LYS 22 3.370 -6.994 3.308 160 2HD LYS 22 1HD LYS 22 2.146 -8.242 3.068 161 1HE LYS 22 2HE LYS 22 5.101 -8.399 2.399 162 2HE LYS 22 1HE LYS 22 4.175 -9.441 3.496 163 1HZ LYS 22 1HZ LYS 22 2.715 -9.779 1.381 164 2HZ LYS 22 2HZ LYS 22 4.134 -10.691 1.591 165 3HZ LYS 22 3HZ LYS 22 4.133 -9.341 0.561 166 H ARG 23 H ARG 23 0.131 -8.052 1.247 167 HA ARG 23 HA ARG 23 -1.742 -7.357 3.437 168 1HB ARG 23 2HB ARG 23 -2.856 -7.551 1.177 169 2HB ARG 23 1HB ARG 23 -2.290 -9.221 1.123 170 1HG ARG 23 2HG ARG 23 -3.692 -8.394 3.595 171 2HG ARG 23 1HG ARG 23 -4.689 -8.529 2.152 172 1HD ARG 23 2HD ARG 23 -2.789 -10.766 2.597 173 2HD ARG 23 1HD ARG 23 -4.120 -10.646 3.759 174 HE ARG 23 HE ARG 23 -4.518 -10.784 0.795 175 1HH1 ARG 23 1HH2 ARG 23 -5.000 -13.257 2.366 176 2HH1 ARG 23 2HH2 ARG 23 -6.698 -13.172 2.696 177 1HH2 ARG 23 1HH1 ARG 23 -6.944 -9.796 1.945 178 2HH2 ARG 23 2HH1 ARG 23 -7.799 -11.214 2.458 179 H ARG 24 H ARG 24 -2.427 -9.580 4.500 180 HA ARG 24 HA ARG 24 0.017 -11.184 4.918 181 1HB ARG 24 2HB ARG 24 -1.223 -12.088 6.769 182 2HB ARG 24 1HB ARG 24 -1.653 -10.380 6.699 183 1HG ARG 24 2HG ARG 24 -3.820 -10.918 6.426 184 2HG ARG 24 1HG ARG 24 -3.427 -11.836 4.977 185 1HD ARG 24 2HD ARG 24 -2.852 -13.801 6.396 186 2HD ARG 24 1HD ARG 24 -3.341 -12.875 7.830 187 HE ARG 24 HE ARG 24 -5.175 -13.679 5.614 188 1HH1 ARG 24 1HH1 ARG 24 -5.485 -11.095 7.434 189 2HH1 ARG 24 2HH1 ARG 24 -6.727 -11.666 8.497 190 1HH2 ARG 24 1HH2 ARG 24 -6.391 -14.981 7.549 191 2HH2 ARG 24 2HH2 ARG 24 -7.239 -13.863 8.562 192 H GLY 25 H GLY 25 -0.749 -11.442 2.312 193 1HA GLY 25 2HA GLY 25 -0.715 -13.910 1.408 194 2HA GLY 25 1HA GLY 25 -2.344 -13.944 2.092 195 H THR 26 H THR 26 -1.308 -13.998 -0.797 196 HA THR 26 HA THR 26 -1.729 -12.901 -2.852 197 HB THR 26 HB THR 26 -3.951 -13.270 -3.270 198 HG1 THR 26 1HG THR 26 -5.573 -12.403 -2.056 199 1HG2 THR 26 1HG2 THR 26 -3.743 -14.340 -0.448 200 2HG2 THR 26 2HG2 THR 26 -3.271 -15.192 -1.918 201 3HG2 THR 26 3HG2 THR 26 -4.968 -14.811 -1.626 202 H ASN 27 H ASN 27 -0.666 -11.122 -0.928 203 HA ASN 27 HA ASN 27 -0.858 -8.827 -0.129 204 1HB ASN 27 2HB ASN 27 -0.499 -8.825 -3.137 205 2HB ASN 27 1HB ASN 27 0.062 -7.573 -2.031 206 1HD2 ASN 27 1HD2 ASN 27 0.666 -9.916 -0.033 207 2HD2 ASN 27 2HD2 ASN 27 2.167 -10.497 -0.575 208 H ALA 28 H ALA 28 -3.562 -9.399 -0.135 209 HA ALA 28 HA ALA 28 -5.145 -7.981 -2.033 210 1HB ALA 28 1HB ALA 28 -6.507 -7.819 0.368 211 2HB ALA 28 2HB ALA 28 -5.423 -9.180 0.625 212 3HB ALA 28 3HB ALA 28 -6.547 -9.199 -0.727 213 H GLU 29 H GLU 29 -4.566 -6.851 1.332 214 HA GLU 29 HA GLU 29 -3.546 -4.282 0.502 215 1HB GLU 29 2HB GLU 29 -5.601 -2.974 0.809 216 2HB GLU 29 1HB GLU 29 -5.840 -4.206 -0.428 217 1HG GLU 29 2HG GLU 29 -6.451 -5.220 2.236 218 2HG GLU 29 1HG GLU 29 -7.435 -3.814 1.828 219 H LYS 30 H LYS 30 -2.365 -5.423 2.566 220 HA LYS 30 HA LYS 30 -3.710 -4.897 5.109 221 1HB LYS 30 2HB LYS 30 -1.079 -5.959 4.239 222 2HB LYS 30 1HB LYS 30 -1.156 -5.198 5.813 223 1HG LYS 30 2HG LYS 30 -1.889 -7.857 5.180 224 2HG LYS 30 1HG LYS 30 -2.062 -7.035 6.721 225 1HD LYS 30 2HD LYS 30 -4.295 -6.309 6.167 226 2HD LYS 30 1HD LYS 30 -4.124 -6.872 4.507 227 1HE LYS 30 2HE LYS 30 -5.166 -8.756 5.313 228 2HE LYS 30 1HE LYS 30 -3.546 -9.163 5.904 229 1HZ LYS 30 1HZ LYS 30 -5.771 -8.697 7.453 230 2HZ LYS 30 2HZ LYS 30 -4.838 -7.289 7.620 231 3HZ LYS 30 3HZ LYS 30 -4.170 -8.804 7.996 232 H ARG 31 H ARG 31 -0.577 -3.751 3.979 233 HA ARG 31 HA ARG 31 -1.359 -0.939 4.620 234 1HB ARG 31 2HB ARG 31 0.185 -2.638 6.247 235 2HB ARG 31 1HB ARG 31 1.359 -1.604 5.431 236 1HG ARG 31 2HG ARG 31 0.189 0.395 6.179 237 2HG ARG 31 1HG ARG 31 -1.097 -0.583 6.886 238 1HD ARG 31 2HD ARG 31 0.209 -1.245 8.686 239 2HD ARG 31 1HD ARG 31 1.722 -1.109 7.767 240 HE ARG 31 HE ARG 31 0.514 1.478 7.946 241 1HH1 ARG 31 1HH2 ARG 31 1.794 -0.940 10.038 242 2HH1 ARG 31 2HH2 ARG 31 2.577 0.192 11.089 243 1HH2 ARG 31 1HH1 ARG 31 1.657 2.968 9.228 244 2HH2 ARG 31 2HH1 ARG 31 2.499 2.401 10.631 245 H CYS 32 H CYS 32 -0.452 0.504 3.127 246 HA CYS 32 HA CYS 32 0.480 -0.288 0.627 247 1HB CYS 32 2HB CYS 32 1.384 2.135 2.218 248 2HB CYS 32 1HB CYS 32 1.382 1.989 0.459 249 H ARG 33 H ARG 33 2.309 -1.364 -0.023 250 HA ARG 33 HA ARG 33 4.874 -0.891 1.383 251 1HB ARG 33 2HB ARG 33 3.247 -3.429 1.411 252 2HB ARG 33 1HB ARG 33 5.001 -3.498 1.582 253 1HG ARG 33 2HG ARG 33 4.683 -1.714 3.435 254 2HG ARG 33 1HG ARG 33 2.984 -2.190 3.405 255 1HD ARG 33 2HD ARG 33 4.615 -4.568 3.438 256 2HD ARG 33 1HD ARG 33 5.098 -3.503 4.772 257 HE ARG 33 HE ARG 33 2.193 -3.723 4.449 258 1HH1 ARG 33 1HH2 ARG 33 4.705 -5.823 5.310 259 2HH1 ARG 33 2HH2 ARG 33 4.046 -6.245 6.856 260 1HH2 ARG 33 1HH1 ARG 33 1.476 -3.921 6.689 261 2HH2 ARG 33 2HH1 ARG 33 2.218 -5.167 7.637
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