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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 | in_dress | stage | position | program | type |
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4720 |
1fme ![]() ![]() |
cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 -14.723 7.404 5.141 2 2H GLU 1 2HT GLU 1 -14.788 8.339 3.723 3 3H GLU 1 3HT GLU 1 -13.332 8.203 4.588 4 HA GLU 1 HA GLU 1 -13.374 5.753 4.113 5 1HB GLU 1 2HB GLU 1 -15.969 6.351 3.533 6 2HB GLU 1 1HB GLU 1 -15.276 6.336 1.911 7 1HG GLU 1 2HG GLU 1 -15.791 4.090 2.148 8 2HG GLU 1 1HG GLU 1 -14.146 4.095 2.786 9 H GLN 2 HN GLN 2 -11.278 6.556 3.474 10 HA GLN 2 HA GLN 2 -10.887 8.161 1.079 11 1HB GLN 2 2HB GLN 2 -9.448 7.628 3.287 12 2HB GLN 2 1HB GLN 2 -8.744 6.419 2.215 13 1HG GLN 2 2HG GLN 2 -7.484 8.012 1.249 14 2HG GLN 2 1HG GLN 2 -8.947 8.841 0.719 15 1HE2 GLN 2 1HE2 GLN 2 -10.051 9.886 2.982 16 2HE2 GLN 2 2HE2 GLN 2 -8.960 10.898 3.797 17 H TYR 3 HN TYR 3 -9.063 7.046 -0.494 18 HA TYR 3 HA TYR 3 -10.391 5.232 -2.170 19 1HB TYR 3 2HB TYR 3 -8.077 4.866 -3.113 20 2HB TYR 3 1HB TYR 3 -8.557 6.552 -2.937 21 HD1 TYR 3 1HD TYR 3 -7.137 8.022 -1.889 22 HD2 TYR 3 2HD TYR 3 -6.829 3.833 -0.981 23 HE1 TYR 3 1HE TYR 3 -5.182 8.475 -0.454 24 HE2 TYR 3 2HE TYR 3 -4.873 4.297 0.447 25 HH TYR 3 HH TYR 3 -4.102 7.182 1.645 26 H THR 4 HN THR 4 -10.141 2.979 -2.559 27 HA THR 4 HA THR 4 -9.253 1.416 -0.161 28 HB THR 4 HB THR 4 -10.863 -0.285 -1.255 29 HG1 THR 4 1HG THR 4 -11.537 0.322 -3.130 30 1HG2 THR 4 1HG2 THR 4 -11.313 1.936 0.448 31 2HG2 THR 4 2HG2 THR 4 -12.289 0.474 0.311 32 3HG2 THR 4 3HG2 THR 4 -12.671 1.884 -0.676 33 H ALA 5 HN ALA 5 -7.297 2.222 -2.044 34 HA ALA 5 HA ALA 5 -6.690 0.615 -4.236 35 1HB ALA 5 1HB ALA 5 -5.459 2.557 -2.801 36 2HB ALA 5 2HB ALA 5 -4.628 1.595 -4.025 37 3HB ALA 5 3HB ALA 5 -4.489 1.159 -2.316 38 H LYS 6 HN LYS 6 -6.215 -1.559 -4.467 39 HA LYS 6 HA LYS 6 -5.460 -3.073 -1.990 40 1HB LYS 6 2HB LYS 6 -6.496 -5.028 -3.222 41 2HB LYS 6 1HB LYS 6 -7.631 -3.760 -2.759 42 1HG LYS 6 2HG LYS 6 -8.038 -3.152 -4.916 43 2HG LYS 6 1HG LYS 6 -6.371 -3.426 -5.416 44 1HD LYS 6 2HD LYS 6 -6.997 -5.383 -6.339 45 2HD LYS 6 1HD LYS 6 -7.425 -5.975 -4.734 46 1HE LYS 6 2HE LYS 6 -9.516 -6.157 -5.690 47 2HE LYS 6 1HE LYS 6 -9.611 -4.431 -5.284 48 1HZ LYS 6 1HZ LYS 6 -10.075 -4.762 -7.627 49 2HZ LYS 6 2HZ LYS 6 -8.597 -5.574 -7.835 50 3HZ LYS 6 3HZ LYS 6 -8.613 -3.922 -7.440 51 H TYR 7 HN TYR 7 -3.666 -4.392 -2.123 52 HA TYR 7 HA TYR 7 -2.179 -4.405 -4.728 53 1HB TYR 7 2HB TYR 7 -1.318 -3.841 -1.890 54 2HB TYR 7 1HB TYR 7 -0.154 -4.299 -3.125 55 HD1 TYR 7 1HD TYR 7 0.709 -2.702 -4.555 56 HD2 TYR 7 2HD TYR 7 -2.949 -1.935 -2.468 57 HE1 TYR 7 1HE TYR 7 0.731 -0.383 -5.395 58 HE2 TYR 7 2HE TYR 7 -2.953 0.398 -3.287 59 HH TYR 7 HH TYR 7 -2.007 1.693 -5.125 60 H LYS 8 HN LYS 8 -1.751 -5.933 -1.520 61 HA LYS 8 HA LYS 8 -1.642 -8.600 -2.896 62 1HB LYS 8 2HB LYS 8 0.010 -7.217 -0.841 63 2HB LYS 8 1HB LYS 8 -0.256 -8.943 -0.590 64 1HG LYS 8 2HG LYS 8 0.671 -7.814 -3.238 65 2HG LYS 8 1HG LYS 8 1.796 -8.328 -1.980 66 1HD LYS 8 2HD LYS 8 -0.398 -10.160 -2.942 67 2HD LYS 8 1HD LYS 8 1.144 -10.062 -3.794 68 1HE LYS 8 2HE LYS 8 2.359 -10.900 -1.951 69 2HE LYS 8 1HE LYS 8 1.057 -10.518 -0.807 70 1HZ LYS 8 1HZ LYS 8 -0.361 -12.117 -1.946 71 2HZ LYS 8 2HZ LYS 8 1.045 -12.874 -1.365 72 3HZ LYS 8 3HZ LYS 8 0.898 -12.502 -3.016 73 H GLY 9 HN GLY 9 -4.142 -7.963 -2.292 74 1HA GLY 9 2HA GLY 9 -6.004 -8.766 -1.099 75 2HA GLY 9 1HA GLY 9 -4.899 -9.790 -0.177 76 H ARG 10 HN ARG 10 -4.452 -6.321 -0.420 77 HA ARG 10 HA ARG 10 -5.541 -5.915 2.329 78 1HB ARG 10 2HB ARG 10 -2.733 -5.250 1.371 79 2HB ARG 10 1HB ARG 10 -3.387 -4.859 2.962 80 1HG ARG 10 2HG ARG 10 -3.790 -7.318 3.326 81 2HG ARG 10 1HG ARG 10 -2.928 -7.627 1.819 82 1HD ARG 10 2HD ARG 10 -0.984 -6.279 2.816 83 2HD ARG 10 1HD ARG 10 -1.831 -6.418 4.369 84 HE ARG 10 HE ARG 10 -1.167 -8.838 2.739 85 1HH1 ARG 10 1HH1 ARG 10 0.735 -7.576 4.873 86 2HH1 ARG 10 2HH1 ARG 10 0.428 -8.640 6.205 87 1HH2 ARG 10 1HH2 ARG 10 -2.437 -10.000 4.804 88 2HH2 ARG 10 2HH2 ARG 10 -1.366 -10.012 6.166 89 H THR 11 HN THR 11 -7.011 -4.266 1.887 90 HA THR 11 HA THR 11 -6.651 -2.336 -0.237 91 HB THR 11 HB THR 11 -8.404 -2.240 2.244 92 HG1 THR 11 1HG THR 11 -9.706 -3.559 1.217 93 1HG2 THR 11 1HG2 THR 11 -9.487 -0.470 1.297 94 2HG2 THR 11 2HG2 THR 11 -9.287 -1.097 -0.339 95 3HG2 THR 11 3HG2 THR 11 -7.959 -0.238 0.443 96 H PHE 12 HN PHE 12 -5.965 -0.120 -0.018 97 HA PHE 12 HA PHE 12 -4.490 0.490 2.517 98 1HB PHE 12 2HB PHE 12 -4.035 1.151 -0.411 99 2HB PHE 12 1HB PHE 12 -3.214 2.042 0.885 100 HD1 PHE 12 1HD PHE 12 -1.401 1.040 2.120 101 HD2 PHE 12 2HD PHE 12 -3.801 -1.281 -0.568 102 HE1 PHE 12 1HE PHE 12 0.215 -0.840 2.313 103 HE2 PHE 12 2HE PHE 12 -2.217 -3.186 -0.337 104 HZ PHE 12 HZ PHE 12 -0.203 -2.957 1.091 105 H ARG 13 HN ARG 13 -5.375 2.077 3.719 106 HA ARG 13 HA ARG 13 -7.125 4.116 2.381 107 1HB ARG 13 2HB ARG 13 -7.873 2.234 4.168 108 2HB ARG 13 1HB ARG 13 -7.342 3.489 5.290 109 1HG ARG 13 2HG ARG 13 -9.516 4.185 4.999 110 2HG ARG 13 1HG ARG 13 -8.781 5.026 3.634 111 1HD ARG 13 2HD ARG 13 -10.674 3.906 2.701 112 2HD ARG 13 1HD ARG 13 -9.299 2.862 2.285 113 HE ARG 13 HE ARG 13 -10.033 1.293 3.929 114 1HH1 ARG 13 1HH1 ARG 13 -12.788 1.970 3.083 115 2HH1 ARG 13 2HH1 ARG 13 -13.555 2.393 4.577 116 1HH2 ARG 13 1HH2 ARG 13 -10.571 2.829 6.290 117 2HH2 ARG 13 2HH2 ARG 13 -12.299 2.879 6.394 118 H ASN 14 HN ASN 14 -4.217 4.258 2.760 119 HA ASN 14 HA ASN 14 -4.050 6.866 4.078 120 1HB ASN 14 2HB ASN 14 -3.964 4.724 5.741 121 2HB ASN 14 1HB ASN 14 -2.256 4.841 5.315 122 1HD2 ASN 14 1HD2 ASN 14 -1.111 6.836 5.898 123 2HD2 ASN 14 2HD2 ASN 14 -1.750 7.903 7.052 124 H GLU 15 HN GLU 15 -2.522 7.968 2.928 125 HA GLU 15 HA GLU 15 -0.941 6.811 0.857 126 1HB GLU 15 2HB GLU 15 -1.697 9.300 1.634 127 2HB GLU 15 1HB GLU 15 -0.012 9.315 2.162 128 1HG GLU 15 2HG GLU 15 0.354 8.251 -0.267 129 2HG GLU 15 1HG GLU 15 -1.135 9.137 -0.598 130 H LYS 16 HN LYS 16 -0.192 7.495 4.255 131 HA LYS 16 HA LYS 16 2.607 7.164 4.220 132 1HB LYS 16 2HB LYS 16 1.058 7.943 6.085 133 2HB LYS 16 1HB LYS 16 0.724 6.237 6.387 134 1HG LYS 16 2HG LYS 16 3.394 6.102 6.376 135 2HG LYS 16 1HG LYS 16 3.229 7.791 6.858 136 1HD LYS 16 2HD LYS 16 2.344 7.263 8.898 137 2HD LYS 16 1HD LYS 16 1.446 5.882 8.265 138 1HE LYS 16 2HE LYS 16 3.994 4.974 7.948 139 2HE LYS 16 1HE LYS 16 4.185 5.981 9.398 140 1HZ LYS 16 1HZ LYS 16 3.417 3.699 9.906 141 2HZ LYS 16 2HZ LYS 16 2.008 3.998 9.005 142 3HZ LYS 16 3HZ LYS 16 2.325 4.892 10.414 143 H GLU 17 HN GLU 17 0.047 4.789 4.511 144 HA GLU 17 HA GLU 17 1.739 2.476 4.919 145 1HB GLU 17 2HB GLU 17 -1.100 2.920 3.954 146 2HB GLU 17 1HB GLU 17 -0.428 1.311 4.214 147 1HG GLU 17 2HG GLU 17 -0.504 3.485 6.323 148 2HG GLU 17 1HG GLU 17 -1.690 2.185 6.192 149 H LEU 18 HN LEU 18 -0.142 3.511 2.064 150 HA LEU 18 HA LEU 18 0.872 1.659 0.193 151 1HB LEU 18 2HB LEU 18 -1.000 3.565 0.196 152 2HB LEU 18 1HB LEU 18 0.271 4.491 -0.597 153 HG LEU 18 HG LEU 18 0.478 2.747 -2.318 154 1HD1 LEU 18 1HD1 LEU 18 -0.814 1.123 -0.438 155 2HD1 LEU 18 2HD1 LEU 18 -0.413 0.662 -2.077 156 3HD1 LEU 18 3HD1 LEU 18 -2.001 1.331 -1.706 157 1HD2 LEU 18 1HD2 LEU 18 -2.346 3.735 -1.847 158 2HD2 LEU 18 2HD2 LEU 18 -1.756 3.087 -3.378 159 3HD2 LEU 18 3HD2 LEU 18 -1.073 4.578 -2.729 160 H ARG 19 HN ARG 19 2.142 4.886 1.039 161 HA ARG 19 HA ARG 19 4.270 4.944 -0.874 162 1HB ARG 19 2HB ARG 19 3.803 6.187 1.842 163 2HB ARG 19 1HB ARG 19 5.236 6.557 0.883 164 1HG ARG 19 2HG ARG 19 2.644 6.717 -0.555 165 2HG ARG 19 1HG ARG 19 2.920 7.951 0.675 166 1HD ARG 19 2HD ARG 19 4.693 8.898 -0.477 167 2HD ARG 19 1HD ARG 19 5.156 7.360 -1.231 168 HE ARG 19 HE ARG 19 2.627 8.753 -2.007 169 1HH1 ARG 19 1HH1 ARG 19 4.562 6.188 -2.802 170 2HH1 ARG 19 2HH1 ARG 19 4.782 6.614 -4.467 171 1HH2 ARG 19 1HH2 ARG 19 3.361 9.759 -4.125 172 2HH2 ARG 19 2HH2 ARG 19 4.100 8.636 -5.216 173 H ASP 20 HN ASP 20 3.882 3.142 2.086 174 HA ASP 20 HA ASP 20 6.794 2.527 2.225 175 1HB ASP 20 2HB ASP 20 5.325 3.256 4.199 176 2HB ASP 20 1HB ASP 20 4.563 1.669 4.082 177 H PHE 21 HN PHE 21 3.659 1.063 1.498 178 HA PHE 21 HA PHE 21 4.496 -1.702 1.602 179 1HB PHE 21 2HB PHE 21 2.165 -0.961 1.678 180 2HB PHE 21 1HB PHE 21 2.271 -0.334 0.047 181 HD1 PHE 21 1HD PHE 21 2.171 -1.802 -1.867 182 HD2 PHE 21 2HD PHE 21 2.538 -3.370 2.103 183 HE1 PHE 21 1HE PHE 21 1.748 -4.089 -2.736 184 HE2 PHE 21 2HE PHE 21 2.093 -5.666 1.247 185 HZ PHE 21 HZ PHE 21 1.702 -6.021 -1.179 186 H ILE 22 HN ILE 22 3.521 -0.008 -1.377 187 HA ILE 22 HA ILE 22 4.730 -1.648 -3.270 188 HB ILE 22 HB ILE 22 4.317 1.359 -3.242 189 1HG1 ILE 22 2HG1 ILE 22 2.455 0.145 -4.888 190 2HG1 ILE 22 1HG1 ILE 22 2.622 -1.020 -3.582 191 1HG2 ILE 22 1HG2 ILE 22 4.292 1.096 -5.739 192 2HG2 ILE 22 2HG2 ILE 22 4.857 -0.560 -5.525 193 3HG2 ILE 22 3HG2 ILE 22 5.879 0.790 -5.030 194 1HD1 ILE 22 1HD1 ILE 22 1.555 0.309 -2.116 195 2HD1 ILE 22 2HD1 ILE 22 1.027 1.226 -3.526 196 3HD1 ILE 22 3HD1 ILE 22 2.456 1.737 -2.628 197 H GLU 23 HN GLU 23 6.190 0.901 -1.329 198 HA GLU 23 HA GLU 23 8.724 1.053 -2.725 199 1HB GLU 23 2HB GLU 23 7.679 2.724 -1.120 200 2HB GLU 23 1HB GLU 23 8.108 1.624 0.191 201 1HG GLU 23 2HG GLU 23 10.478 1.770 -0.435 202 2HG GLU 23 1HG GLU 23 10.070 2.832 -1.783 203 H LYS 24 HN LYS 24 7.447 -0.970 -0.130 204 HA LYS 24 HA LYS 24 10.068 -2.232 0.388 205 1HB LYS 24 2HB LYS 24 7.371 -2.075 1.576 206 2HB LYS 24 1HB LYS 24 8.119 -3.666 1.719 207 1HG LYS 24 2HG LYS 24 9.517 -1.089 2.483 208 2HG LYS 24 1HG LYS 24 8.638 -2.099 3.631 209 1HD LYS 24 2HD LYS 24 10.264 -3.692 3.674 210 2HD LYS 24 1HD LYS 24 10.573 -3.563 1.943 211 1HE LYS 24 2HE LYS 24 12.559 -2.756 3.050 212 2HE LYS 24 1HE LYS 24 11.707 -1.314 2.463 213 1HZ LYS 24 1HZ LYS 24 10.620 -1.117 4.609 214 2HZ LYS 24 2HZ LYS 24 12.307 -1.087 4.804 215 3HZ LYS 24 3HZ LYS 24 11.431 -2.494 5.178 216 H PHE 25 HN PHE 25 6.822 -3.389 -0.641 217 HA PHE 25 HA PHE 25 7.969 -5.858 -1.688 218 1HB PHE 25 2HB PHE 25 5.777 -5.654 -0.473 219 2HB PHE 25 1HB PHE 25 5.155 -4.753 -1.857 220 HD1 PHE 25 1HD PHE 25 3.760 -6.048 -3.173 221 HD2 PHE 25 2HD PHE 25 7.274 -7.835 -1.475 222 HE1 PHE 25 1HE PHE 25 3.243 -8.175 -4.343 223 HE2 PHE 25 2HE PHE 25 6.758 -9.964 -2.642 224 HZ PHE 25 HZ PHE 25 4.743 -10.132 -4.077 225 H LYS 26 HN LYS 26 9.210 -3.937 -3.115 226 HA LYS 26 HA LYS 26 7.871 -2.917 -5.424 227 1HB LYS 26 2HB LYS 26 10.672 -3.415 -4.522 228 2HB LYS 26 1HB LYS 26 10.417 -3.045 -6.227 229 1HG LYS 26 2HG LYS 26 9.024 -1.048 -5.435 230 2HG LYS 26 1HG LYS 26 9.691 -1.351 -3.830 231 1HD LYS 26 2HD LYS 26 11.305 0.099 -4.592 232 2HD LYS 26 1HD LYS 26 11.979 -1.397 -5.235 233 1HE LYS 26 2HE LYS 26 10.776 -0.974 -7.390 234 2HE LYS 26 1HE LYS 26 10.239 0.588 -6.740 235 1HZ LYS 26 1HZ LYS 26 13.043 -0.332 -7.088 236 2HZ LYS 26 2HZ LYS 26 12.603 1.083 -6.255 237 3HZ LYS 26 3HZ LYS 26 12.279 0.936 -7.916 238 H GLY 27 HN GLY 27 9.080 -6.076 -4.688 239 1HA GLY 27 2HA GLY 27 8.386 -8.025 -5.966 240 2HA GLY 27 1HA GLY 27 8.259 -6.996 -7.394 241 H ARG 28 HN ARG 28 10.354 -8.999 -5.523 242 HA ARG 28 HA ARG 28 12.549 -8.518 -7.506 243 1HB ARG 28 2HB ARG 28 12.558 -8.543 -4.495 244 2HB ARG 28 1HB ARG 28 14.019 -8.978 -5.383 245 1HG ARG 28 2HG ARG 28 14.188 -6.850 -6.389 246 2HG ARG 28 1HG ARG 28 12.509 -6.450 -6.026 247 1HD ARG 28 2HD ARG 28 13.006 -5.756 -3.901 248 2HD ARG 28 1HD ARG 28 14.199 -7.048 -3.659 249 HE ARG 28 HE ARG 28 15.410 -5.482 -5.561 250 1HH1 ARG 28 1HH1 ARG 28 16.502 -5.505 -2.811 251 2HH1 ARG 28 2HH1 ARG 28 16.352 -3.848 -2.326 252 1HH2 ARG 28 1HH2 ARG 28 14.087 -3.043 -4.824 253 2HH2 ARG 28 2HH2 ARG 28 14.984 -2.456 -3.464 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 -11.529 8.865 5.619 2 2H GLU 1 2HT GLU 1 -10.719 7.381 5.784 3 3H GLU 1 3HT GLU 1 -12.291 7.569 6.403 4 HA GLU 1 HA GLU 1 -12.423 6.320 4.361 5 1HB GLU 1 2HB GLU 1 -13.764 8.653 5.097 6 2HB GLU 1 1HB GLU 1 -13.383 8.923 3.397 7 1HG GLU 1 2HG GLU 1 -14.592 6.326 4.352 8 2HG GLU 1 1HG GLU 1 -15.596 7.712 3.926 9 H GLN 2 HN GLN 2 -10.344 5.926 3.372 10 HA GLN 2 HA GLN 2 -9.464 8.022 1.409 11 1HB GLN 2 2HB GLN 2 -8.117 6.418 3.433 12 2HB GLN 2 1HB GLN 2 -7.399 6.145 1.846 13 1HG GLN 2 2HG GLN 2 -6.244 8.013 2.832 14 2HG GLN 2 1HG GLN 2 -7.293 8.661 1.571 15 1HE2 GLN 2 1HE2 GLN 2 -7.867 7.697 5.010 16 2HE2 GLN 2 2HE2 GLN 2 -8.617 9.157 5.442 17 H TYR 3 HN TYR 3 -8.180 6.862 -0.466 18 HA TYR 3 HA TYR 3 -9.883 5.391 -2.085 19 1HB TYR 3 2HB TYR 3 -7.714 4.701 -3.243 20 2HB TYR 3 1HB TYR 3 -7.971 6.426 -2.998 21 HD1 TYR 3 1HD TYR 3 -6.250 7.671 -2.126 22 HD2 TYR 3 2HD TYR 3 -6.475 3.495 -1.178 23 HE1 TYR 3 1HE TYR 3 -4.136 7.843 -0.861 24 HE2 TYR 3 2HE TYR 3 -4.368 3.665 0.083 25 HH TYR 3 HH TYR 3 -2.201 5.809 -0.235 26 H THR 4 HN THR 4 -10.027 3.166 -2.693 27 HA THR 4 HA THR 4 -9.512 1.285 -0.444 28 HB THR 4 HB THR 4 -11.087 0.872 -2.997 29 HG1 THR 4 1HG THR 4 -11.936 1.964 -0.521 30 1HG2 THR 4 1HG2 THR 4 -11.104 -0.382 -0.247 31 2HG2 THR 4 2HG2 THR 4 -10.752 -1.166 -1.787 32 3HG2 THR 4 3HG2 THR 4 -12.393 -0.633 -1.424 33 H ALA 5 HN ALA 5 -7.358 2.184 -2.298 34 HA ALA 5 HA ALA 5 -6.599 0.492 -4.359 35 1HB ALA 5 1HB ALA 5 -5.469 2.478 -2.864 36 2HB ALA 5 2HB ALA 5 -4.582 1.533 -4.058 37 3HB ALA 5 3HB ALA 5 -4.502 1.087 -2.347 38 H LYS 6 HN LYS 6 -5.943 -1.654 -4.510 39 HA LYS 6 HA LYS 6 -5.328 -3.095 -1.955 40 1HB LYS 6 2HB LYS 6 -6.323 -5.095 -3.127 41 2HB LYS 6 1HB LYS 6 -7.480 -3.821 -2.754 42 1HG LYS 6 2HG LYS 6 -7.909 -3.410 -4.932 43 2HG LYS 6 1HG LYS 6 -6.204 -3.475 -5.371 44 1HD LYS 6 2HD LYS 6 -6.474 -6.056 -5.001 45 2HD LYS 6 1HD LYS 6 -8.195 -5.723 -5.201 46 1HE LYS 6 2HE LYS 6 -7.481 -6.181 -7.411 47 2HE LYS 6 1HE LYS 6 -7.424 -4.408 -7.344 48 1HZ LYS 6 1HZ LYS 6 -5.329 -5.191 -8.161 49 2HZ LYS 6 2HZ LYS 6 -5.168 -6.282 -6.869 50 3HZ LYS 6 3HZ LYS 6 -5.092 -4.612 -6.581 51 H TYR 7 HN TYR 7 -3.484 -4.348 -2.017 52 HA TYR 7 HA TYR 7 -1.980 -4.412 -4.610 53 1HB TYR 7 2HB TYR 7 -1.137 -3.790 -1.777 54 2HB TYR 7 1HB TYR 7 0.034 -4.236 -3.010 55 HD1 TYR 7 1HD TYR 7 0.897 -2.612 -4.398 56 HD2 TYR 7 2HD TYR 7 -2.849 -1.951 -2.435 57 HE1 TYR 7 1HE TYR 7 0.862 -0.305 -5.265 58 HE2 TYR 7 2HE TYR 7 -2.913 0.367 -3.288 59 HH TYR 7 HH TYR 7 -0.164 1.804 -4.903 60 H LYS 8 HN LYS 8 -1.563 -5.904 -1.376 61 HA LYS 8 HA LYS 8 -1.328 -8.567 -2.746 62 1HB LYS 8 2HB LYS 8 0.712 -7.576 -1.656 63 2HB LYS 8 1HB LYS 8 -0.145 -7.619 -0.115 64 1HG LYS 8 2HG LYS 8 1.118 -9.626 -0.145 65 2HG LYS 8 1HG LYS 8 -0.514 -10.124 -0.594 66 1HD LYS 8 2HD LYS 8 0.151 -9.929 -3.005 67 2HD LYS 8 1HD LYS 8 1.804 -9.607 -2.479 68 1HE LYS 8 2HE LYS 8 2.054 -11.785 -1.552 69 2HE LYS 8 1HE LYS 8 0.304 -12.085 -1.591 70 1HZ LYS 8 1HZ LYS 8 0.361 -11.896 -4.002 71 2HZ LYS 8 2HZ LYS 8 1.400 -13.132 -3.482 72 3HZ LYS 8 3HZ LYS 8 2.039 -11.633 -3.964 73 H GLY 9 HN GLY 9 -3.880 -8.075 -2.333 74 1HA GLY 9 2HA GLY 9 -5.789 -8.931 -1.259 75 2HA GLY 9 1HA GLY 9 -4.712 -9.925 -0.276 76 H ARG 10 HN ARG 10 -4.428 -6.431 -0.486 77 HA ARG 10 HA ARG 10 -5.687 -6.088 2.195 78 1HB ARG 10 2HB ARG 10 -2.842 -5.342 1.429 79 2HB ARG 10 1HB ARG 10 -3.612 -4.961 2.971 80 1HG ARG 10 2HG ARG 10 -3.979 -7.426 3.322 81 2HG ARG 10 1HG ARG 10 -3.018 -7.722 1.874 82 1HD ARG 10 2HD ARG 10 -1.071 -6.649 2.884 83 2HD ARG 10 1HD ARG 10 -2.026 -6.201 4.311 84 HE ARG 10 HE ARG 10 -1.858 -8.439 5.052 85 1HH1 ARG 10 1HH1 ARG 10 0.380 -8.290 2.739 86 2HH1 ARG 10 2HH1 ARG 10 0.165 -9.881 2.089 87 1HH2 ARG 10 1HH2 ARG 10 -2.816 -10.452 3.765 88 2HH2 ARG 10 2HH2 ARG 10 -1.644 -11.104 2.670 89 H THR 11 HN THR 11 -6.960 -4.262 2.062 90 HA THR 11 HA THR 11 -6.680 -2.407 -0.187 91 HB THR 11 HB THR 11 -8.410 -2.287 2.309 92 HG1 THR 11 1HG THR 11 -8.807 -4.182 1.210 93 1HG2 THR 11 1HG2 THR 11 -9.639 -0.632 1.247 94 2HG2 THR 11 2HG2 THR 11 -9.160 -1.167 -0.364 95 3HG2 THR 11 3HG2 THR 11 -8.025 -0.258 0.636 96 H PHE 12 HN PHE 12 -5.854 -0.268 -0.031 97 HA PHE 12 HA PHE 12 -4.410 0.386 2.508 98 1HB PHE 12 2HB PHE 12 -3.979 1.061 -0.427 99 2HB PHE 12 1HB PHE 12 -3.080 1.856 0.882 100 HD1 PHE 12 1HD PHE 12 -1.292 0.724 2.006 101 HD2 PHE 12 2HD PHE 12 -3.931 -1.392 -0.624 102 HE1 PHE 12 1HE PHE 12 0.193 -1.265 2.132 103 HE2 PHE 12 2HE PHE 12 -2.481 -3.407 -0.464 104 HZ PHE 12 HZ PHE 12 -0.410 -3.337 0.903 105 H ARG 13 HN ARG 13 -5.286 2.011 3.695 106 HA ARG 13 HA ARG 13 -7.001 4.046 2.302 107 1HB ARG 13 2HB ARG 13 -7.315 2.344 4.703 108 2HB ARG 13 1HB ARG 13 -7.799 4.025 4.928 109 1HG ARG 13 2HG ARG 13 -9.583 3.840 3.515 110 2HG ARG 13 1HG ARG 13 -8.723 2.772 2.406 111 1HD ARG 13 2HD ARG 13 -9.172 0.848 3.731 112 2HD ARG 13 1HD ARG 13 -9.642 1.827 5.134 113 HE ARG 13 HE ARG 13 -11.212 1.946 2.593 114 1HH1 ARG 13 1HH1 ARG 13 -11.378 3.177 5.597 115 2HH1 ARG 13 2HH1 ARG 13 -12.870 2.434 6.066 116 1HH2 ARG 13 1HH2 ARG 13 -12.949 0.266 3.361 117 2HH2 ARG 13 2HH2 ARG 13 -13.760 0.786 4.800 118 H ASN 14 HN ASN 14 -4.118 4.238 2.710 119 HA ASN 14 HA ASN 14 -4.025 6.819 4.112 120 1HB ASN 14 2HB ASN 14 -3.897 4.816 5.790 121 2HB ASN 14 1HB ASN 14 -2.259 4.616 5.169 122 1HD2 ASN 14 1HD2 ASN 14 -0.659 6.053 5.939 123 2HD2 ASN 14 2HD2 ASN 14 -0.982 7.367 6.963 124 H GLU 15 HN GLU 15 -2.381 8.045 3.233 125 HA GLU 15 HA GLU 15 -0.924 7.150 0.935 126 1HB GLU 15 2HB GLU 15 -1.607 9.517 1.924 127 2HB GLU 15 1HB GLU 15 0.000 9.433 2.647 128 1HG GLU 15 2HG GLU 15 1.071 9.585 0.622 129 2HG GLU 15 1HG GLU 15 -0.201 8.711 -0.232 130 H LYS 16 HN LYS 16 0.077 7.599 4.332 131 HA LYS 16 HA LYS 16 2.822 7.041 4.081 132 1HB LYS 16 2HB LYS 16 1.195 7.744 6.069 133 2HB LYS 16 1HB LYS 16 1.283 6.017 6.421 134 1HG LYS 16 2HG LYS 16 3.769 6.171 6.409 135 2HG LYS 16 1HG LYS 16 3.637 7.912 6.153 136 1HD LYS 16 2HD LYS 16 2.057 7.759 8.285 137 2HD LYS 16 1HD LYS 16 3.002 6.301 8.593 138 1HE LYS 16 2HE LYS 16 5.078 7.560 8.568 139 2HE LYS 16 1HE LYS 16 4.227 9.029 8.050 140 1HZ LYS 16 1HZ LYS 16 3.657 7.525 10.551 141 2HZ LYS 16 2HZ LYS 16 2.916 8.972 10.054 142 3HZ LYS 16 3HZ LYS 16 4.562 8.957 10.473 143 H GLU 17 HN GLU 17 0.132 4.842 4.575 144 HA GLU 17 HA GLU 17 1.588 2.398 4.839 145 1HB GLU 17 2HB GLU 17 -1.172 3.279 4.108 146 2HB GLU 17 1HB GLU 17 -0.741 1.605 3.756 147 1HG GLU 17 2HG GLU 17 -0.216 1.159 6.045 148 2HG GLU 17 1HG GLU 17 -0.277 2.874 6.462 149 H LEU 18 HN LEU 18 -0.153 3.607 1.958 150 HA LEU 18 HA LEU 18 0.844 1.732 0.087 151 1HB LEU 18 2HB LEU 18 -0.940 3.777 0.107 152 2HB LEU 18 1HB LEU 18 0.371 4.542 -0.786 153 HG LEU 18 HG LEU 18 0.376 2.695 -2.402 154 1HD1 LEU 18 1HD1 LEU 18 -1.047 1.342 -0.336 155 2HD1 LEU 18 2HD1 LEU 18 -0.508 0.672 -1.871 156 3HD1 LEU 18 3HD1 LEU 18 -2.107 1.407 -1.734 157 1HD2 LEU 18 1HD2 LEU 18 -2.227 4.095 -1.822 158 2HD2 LEU 18 2HD2 LEU 18 -2.072 3.020 -3.211 159 3HD2 LEU 18 3HD2 LEU 18 -1.043 4.447 -3.081 160 H ARG 19 HN ARG 19 2.101 4.999 0.846 161 HA ARG 19 HA ARG 19 4.312 4.975 -0.955 162 1HB ARG 19 2HB ARG 19 3.824 6.276 1.738 163 2HB ARG 19 1HB ARG 19 5.215 6.662 0.726 164 1HG ARG 19 2HG ARG 19 2.646 6.721 -0.719 165 2HG ARG 19 1HG ARG 19 2.764 7.915 0.574 166 1HD ARG 19 2HD ARG 19 4.351 9.131 -0.536 167 2HD ARG 19 1HD ARG 19 5.178 7.682 -1.136 168 HE ARG 19 HE ARG 19 2.530 8.438 -2.275 169 1HH1 ARG 19 1HH1 ARG 19 4.549 6.207 -3.136 170 2HH1 ARG 19 2HH1 ARG 19 5.148 6.906 -4.602 171 1HH2 ARG 19 1HH2 ARG 19 3.883 10.064 -3.927 172 2HH2 ARG 19 2HH2 ARG 19 4.769 9.089 -5.051 173 H ASP 20 HN ASP 20 3.806 3.241 2.027 174 HA ASP 20 HA ASP 20 6.708 2.631 2.307 175 1HB ASP 20 2HB ASP 20 4.229 2.436 3.998 176 2HB ASP 20 1HB ASP 20 5.633 1.451 4.407 177 H PHE 21 HN PHE 21 3.578 1.094 1.609 178 HA PHE 21 HA PHE 21 4.433 -1.645 1.739 179 1HB PHE 21 2HB PHE 21 2.098 -0.891 1.706 180 2HB PHE 21 1HB PHE 21 2.269 -0.338 0.053 181 HD1 PHE 21 1HD PHE 21 2.320 -1.896 -1.805 182 HD2 PHE 21 2HD PHE 21 2.402 -3.266 2.258 183 HE1 PHE 21 1HE PHE 21 1.940 -4.223 -2.583 184 HE2 PHE 21 2HE PHE 21 2.018 -5.602 1.488 185 HZ PHE 21 HZ PHE 21 1.788 -6.075 -0.937 186 H ILE 22 HN ILE 22 3.579 0.016 -1.294 187 HA ILE 22 HA ILE 22 4.811 -1.661 -3.130 188 HB ILE 22 HB ILE 22 4.471 1.353 -3.141 189 1HG1 ILE 22 2HG1 ILE 22 2.626 0.152 -4.829 190 2HG1 ILE 22 1HG1 ILE 22 2.722 -0.985 -3.490 191 1HG2 ILE 22 1HG2 ILE 22 4.642 1.208 -5.571 192 2HG2 ILE 22 2HG2 ILE 22 4.848 -0.541 -5.478 193 3HG2 ILE 22 3HG2 ILE 22 6.109 0.529 -4.864 194 1HD1 ILE 22 1HD1 ILE 22 1.682 0.424 -2.067 195 2HD1 ILE 22 2HD1 ILE 22 1.164 1.269 -3.525 196 3HD1 ILE 22 3HD1 ILE 22 2.588 1.825 -2.647 197 H GLU 23 HN GLU 23 6.278 0.854 -1.158 198 HA GLU 23 HA GLU 23 8.853 0.943 -2.479 199 1HB GLU 23 2HB GLU 23 7.541 2.371 -0.556 200 2HB GLU 23 1HB GLU 23 8.672 1.456 0.440 201 1HG GLU 23 2HG GLU 23 10.381 2.216 -1.469 202 2HG GLU 23 1HG GLU 23 9.222 3.537 -1.629 203 H LYS 24 HN LYS 24 7.488 -0.998 0.149 204 HA LYS 24 HA LYS 24 10.041 -2.401 0.636 205 1HB LYS 24 2HB LYS 24 7.224 -2.499 1.736 206 2HB LYS 24 1HB LYS 24 8.452 -3.666 2.231 207 1HG LYS 24 2HG LYS 24 9.901 -1.874 3.023 208 2HG LYS 24 1HG LYS 24 8.773 -0.657 2.424 209 1HD LYS 24 2HD LYS 24 7.212 -1.078 4.093 210 2HD LYS 24 1HD LYS 24 7.771 -2.734 4.339 211 1HE LYS 24 2HE LYS 24 9.855 -1.876 5.378 212 2HE LYS 24 1HE LYS 24 9.266 -0.216 5.161 213 1HZ LYS 24 1HZ LYS 24 7.215 -0.930 6.363 214 2HZ LYS 24 2HZ LYS 24 8.616 -0.907 7.326 215 3HZ LYS 24 3HZ LYS 24 8.001 -2.383 6.748 216 H PHE 25 HN PHE 25 6.896 -2.984 -0.896 217 HA PHE 25 HA PHE 25 7.973 -5.512 -2.008 218 1HB PHE 25 2HB PHE 25 6.239 -5.813 -0.250 219 2HB PHE 25 1HB PHE 25 5.127 -4.844 -1.217 220 HD1 PHE 25 1HD PHE 25 3.700 -5.935 -2.697 221 HD2 PHE 25 2HD PHE 25 7.389 -7.819 -1.564 222 HE1 PHE 25 1HE PHE 25 3.074 -7.947 -4.005 223 HE2 PHE 25 2HE PHE 25 6.764 -9.832 -2.871 224 HZ PHE 25 HZ PHE 25 4.607 -9.896 -4.093 225 H LYS 26 HN LYS 26 8.656 -3.919 -3.772 226 HA LYS 26 HA LYS 26 6.922 -2.387 -5.365 227 1HB LYS 26 2HB LYS 26 9.357 -4.051 -6.039 228 2HB LYS 26 1HB LYS 26 8.648 -2.886 -7.157 229 1HG LYS 26 2HG LYS 26 9.152 -1.858 -4.425 230 2HG LYS 26 1HG LYS 26 10.596 -2.261 -5.355 231 1HD LYS 26 2HD LYS 26 9.107 -0.939 -7.238 232 2HD LYS 26 1HD LYS 26 8.634 -0.089 -5.768 233 1HE LYS 26 2HE LYS 26 11.370 -0.297 -5.442 234 2HE LYS 26 1HE LYS 26 11.210 -0.047 -7.193 235 1HZ LYS 26 1HZ LYS 26 11.180 2.089 -6.181 236 2HZ LYS 26 2HZ LYS 26 10.040 1.606 -5.023 237 3HZ LYS 26 3HZ LYS 26 9.584 1.749 -6.653 238 H GLY 27 HN GLY 27 7.212 -5.842 -5.198 239 1HA GLY 27 2HA GLY 27 5.658 -7.438 -6.039 240 2HA GLY 27 1HA GLY 27 4.893 -6.155 -6.977 241 H ARG 28 HN ARG 28 7.862 -8.124 -6.844 242 HA ARG 28 HA ARG 28 8.084 -7.830 -9.823 243 1HB ARG 28 2HB ARG 28 10.095 -8.146 -7.585 244 2HB ARG 28 1HB ARG 28 10.535 -8.406 -9.273 245 1HG ARG 28 2HG ARG 28 9.051 -5.902 -8.635 246 2HG ARG 28 1HG ARG 28 10.730 -5.995 -8.104 247 1HD ARG 28 2HD ARG 28 10.233 -6.925 -10.880 248 2HD ARG 28 1HD ARG 28 10.026 -5.185 -10.600 249 HE ARG 28 HE ARG 28 12.506 -6.668 -9.802 250 1HH1 ARG 28 1HH2 ARG 28 11.115 -3.672 -9.553 251 2HH1 ARG 28 2HH2 ARG 28 12.382 -2.798 -10.347 252 1HH2 ARG 28 1HH1 ARG 28 14.023 -5.650 -11.442 253 2HH2 ARG 28 2HH1 ARG 28 14.029 -3.918 -11.417 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 -10.745 6.484 5.475 2 2H GLU 1 2HT GLU 1 -12.058 7.135 6.333 3 3H GLU 1 3HT GLU 1 -11.020 8.158 5.460 4 HA GLU 1 HA GLU 1 -12.719 6.065 4.201 5 1HB GLU 1 2HB GLU 1 -13.175 8.845 5.145 6 2HB GLU 1 1HB GLU 1 -13.795 8.470 3.536 7 1HG GLU 1 2HG GLU 1 -15.309 6.915 4.327 8 2HG GLU 1 1HG GLU 1 -14.318 6.508 5.729 9 H GLN 2 HN GLN 2 -10.008 6.322 3.561 10 HA GLN 2 HA GLN 2 -9.800 8.197 1.266 11 1HB GLN 2 2HB GLN 2 -8.080 7.505 3.211 12 2HB GLN 2 1HB GLN 2 -7.660 6.261 2.033 13 1HG GLN 2 2HG GLN 2 -6.777 7.767 0.551 14 2HG GLN 2 1HG GLN 2 -7.945 9.021 0.970 15 1HE2 GLN 2 1HE2 GLN 2 -4.742 7.816 1.617 16 2HE2 GLN 2 2HE2 GLN 2 -4.339 8.946 2.818 17 H TYR 3 HN TYR 3 -8.407 7.001 -0.615 18 HA TYR 3 HA TYR 3 -10.092 5.352 -2.088 19 1HB TYR 3 2HB TYR 3 -7.941 4.728 -3.302 20 2HB TYR 3 1HB TYR 3 -8.264 6.450 -3.116 21 HD1 TYR 3 1HD TYR 3 -6.570 7.804 -2.363 22 HD2 TYR 3 2HD TYR 3 -6.569 3.662 -1.237 23 HE1 TYR 3 1HE TYR 3 -4.425 8.124 -1.183 24 HE2 TYR 3 2HE TYR 3 -4.426 3.984 -0.065 25 HH TYR 3 HH TYR 3 -3.108 7.100 0.560 26 H THR 4 HN THR 4 -10.090 3.068 -2.576 27 HA THR 4 HA THR 4 -9.301 1.390 -0.238 28 HB THR 4 HB THR 4 -10.938 -0.200 -1.467 29 HG1 THR 4 1HG THR 4 -11.074 0.715 -3.437 30 1HG2 THR 4 1HG2 THR 4 -11.616 2.411 -0.150 31 2HG2 THR 4 2HG2 THR 4 -11.799 0.770 0.471 32 3HG2 THR 4 3HG2 THR 4 -12.911 1.379 -0.755 33 H ALA 5 HN ALA 5 -7.325 2.194 -2.224 34 HA ALA 5 HA ALA 5 -6.689 0.491 -4.316 35 1HB ALA 5 1HB ALA 5 -5.472 2.487 -2.936 36 2HB ALA 5 2HB ALA 5 -4.625 1.482 -4.115 37 3HB ALA 5 3HB ALA 5 -4.508 1.106 -2.388 38 H LYS 6 HN LYS 6 -6.086 -1.673 -4.481 39 HA LYS 6 HA LYS 6 -5.383 -3.094 -1.934 40 1HB LYS 6 2HB LYS 6 -6.381 -5.103 -3.096 41 2HB LYS 6 1HB LYS 6 -7.541 -3.834 -2.705 42 1HG LYS 6 2HG LYS 6 -7.950 -3.353 -4.886 43 2HG LYS 6 1HG LYS 6 -6.262 -3.554 -5.351 44 1HD LYS 6 2HD LYS 6 -6.503 -5.804 -5.781 45 2HD LYS 6 1HD LYS 6 -7.750 -6.011 -4.552 46 1HE LYS 6 2HE LYS 6 -9.192 -6.076 -6.326 47 2HE LYS 6 1HE LYS 6 -8.982 -4.315 -6.366 48 1HZ LYS 6 1HZ LYS 6 -8.414 -5.215 -8.508 49 2HZ LYS 6 2HZ LYS 6 -7.336 -6.325 -7.808 50 3HZ LYS 6 3HZ LYS 6 -6.994 -4.665 -7.754 51 H TYR 7 HN TYR 7 -3.546 -4.353 -2.010 52 HA TYR 7 HA TYR 7 -2.058 -4.429 -4.613 53 1HB TYR 7 2HB TYR 7 -1.203 -3.794 -1.788 54 2HB TYR 7 1HB TYR 7 -0.036 -4.261 -3.017 55 HD1 TYR 7 1HD TYR 7 0.836 -2.660 -4.431 56 HD2 TYR 7 2HD TYR 7 -2.889 -1.940 -2.447 57 HE1 TYR 7 1HE TYR 7 0.828 -0.355 -5.309 58 HE2 TYR 7 2HE TYR 7 -2.923 0.378 -3.310 59 HH TYR 7 HH TYR 7 -0.614 2.022 -4.239 60 H LYS 8 HN LYS 8 -1.761 -5.904 -1.357 61 HA LYS 8 HA LYS 8 -1.524 -8.584 -2.694 62 1HB LYS 8 2HB LYS 8 0.527 -7.503 -1.600 63 2HB LYS 8 1HB LYS 8 -0.303 -7.718 -0.060 64 1HG LYS 8 2HG LYS 8 1.024 -9.664 -0.266 65 2HG LYS 8 1HG LYS 8 -0.579 -10.188 -0.780 66 1HD LYS 8 2HD LYS 8 0.047 -9.887 -3.130 67 2HD LYS 8 1HD LYS 8 1.634 -9.289 -2.648 68 1HE LYS 8 2HE LYS 8 1.970 -11.522 -1.442 69 2HE LYS 8 1HE LYS 8 0.529 -12.090 -2.308 70 1HZ LYS 8 1HZ LYS 8 1.528 -11.496 -4.389 71 2HZ LYS 8 2HZ LYS 8 2.616 -12.494 -3.547 72 3HZ LYS 8 3HZ LYS 8 2.879 -10.820 -3.611 73 H GLY 9 HN GLY 9 -4.056 -8.025 -2.232 74 1HA GLY 9 2HA GLY 9 -5.961 -8.822 -1.107 75 2HA GLY 9 1HA GLY 9 -4.886 -9.829 -0.135 76 H ARG 10 HN ARG 10 -4.467 -6.356 -0.365 77 HA ARG 10 HA ARG 10 -5.686 -5.955 2.330 78 1HB ARG 10 2HB ARG 10 -2.845 -5.265 1.493 79 2HB ARG 10 1HB ARG 10 -3.574 -4.863 3.049 80 1HG ARG 10 2HG ARG 10 -3.938 -7.295 3.474 81 2HG ARG 10 1HG ARG 10 -3.099 -7.655 1.964 82 1HD ARG 10 2HD ARG 10 -1.044 -6.643 2.796 83 2HD ARG 10 1HD ARG 10 -1.870 -6.101 4.271 84 HE ARG 10 HE ARG 10 -1.719 -9.004 3.573 85 1HH1 ARG 10 1HH2 ARG 10 0.436 -7.355 5.193 86 2HH1 ARG 10 2HH2 ARG 10 0.039 -7.880 6.794 87 1HH2 ARG 10 1HH1 ARG 10 -3.005 -9.261 5.873 88 2HH2 ARG 10 2HH1 ARG 10 -1.909 -8.961 7.179 89 H THR 11 HN THR 11 -7.049 -4.204 2.025 90 HA THR 11 HA THR 11 -6.715 -2.346 -0.186 91 HB THR 11 HB THR 11 -8.435 -2.215 2.318 92 HG1 THR 11 1HG THR 11 -9.916 -3.307 1.137 93 1HG2 THR 11 1HG2 THR 11 -9.400 -0.354 1.461 94 2HG2 THR 11 2HG2 THR 11 -9.433 -1.025 -0.169 95 3HG2 THR 11 3HG2 THR 11 -7.973 -0.232 0.429 96 H PHE 12 HN PHE 12 -5.983 -0.147 -0.024 97 HA PHE 12 HA PHE 12 -4.473 0.501 2.481 98 1HB PHE 12 2HB PHE 12 -4.030 1.091 -0.465 99 2HB PHE 12 1HB PHE 12 -3.158 1.960 0.810 100 HD1 PHE 12 1HD PHE 12 -1.386 0.899 2.050 101 HD2 PHE 12 2HD PHE 12 -3.880 -1.349 -0.615 102 HE1 PHE 12 1HE PHE 12 0.152 -1.043 2.260 103 HE2 PHE 12 2HE PHE 12 -2.378 -3.316 -0.365 104 HZ PHE 12 HZ PHE 12 -0.353 -3.155 1.058 105 H ARG 13 HN ARG 13 -5.571 1.985 3.667 106 HA ARG 13 HA ARG 13 -7.135 4.109 2.238 107 1HB ARG 13 2HB ARG 13 -8.429 4.184 4.370 108 2HB ARG 13 1HB ARG 13 -8.451 2.577 3.648 109 1HG ARG 13 2HG ARG 13 -6.165 2.943 5.441 110 2HG ARG 13 1HG ARG 13 -7.701 3.192 6.268 111 1HD ARG 13 2HD ARG 13 -7.849 0.868 4.514 112 2HD ARG 13 1HD ARG 13 -6.523 0.709 5.681 113 HE ARG 13 HE ARG 13 -8.174 1.176 7.483 114 1HH1 ARG 13 1HH1 ARG 13 -9.033 -1.284 5.822 115 2HH1 ARG 13 2HH1 ARG 13 -10.735 -0.993 5.690 116 1HH2 ARG 13 1HH2 ARG 13 -10.512 2.324 6.674 117 2HH2 ARG 13 2HH2 ARG 13 -11.573 1.051 6.172 118 H ASN 14 HN ASN 14 -4.285 4.264 2.645 119 HA ASN 14 HA ASN 14 -4.113 6.821 4.054 120 1HB ASN 14 2HB ASN 14 -4.119 5.321 5.943 121 2HB ASN 14 1HB ASN 14 -2.947 4.252 5.176 122 1HD2 ASN 14 1HD2 ASN 14 -3.229 7.707 6.131 123 2HD2 ASN 14 2HD2 ASN 14 -1.632 7.844 6.693 124 H GLU 15 HN GLU 15 -2.516 7.981 3.059 125 HA GLU 15 HA GLU 15 -1.012 6.979 0.845 126 1HB GLU 15 2HB GLU 15 -1.719 9.383 1.657 127 2HB GLU 15 1HB GLU 15 -0.161 9.351 2.485 128 1HG GLU 15 2HG GLU 15 1.019 8.999 0.415 129 2HG GLU 15 1HG GLU 15 -0.489 8.740 -0.462 130 H LYS 16 HN LYS 16 -0.065 7.560 4.239 131 HA LYS 16 HA LYS 16 2.686 7.062 4.081 132 1HB LYS 16 2HB LYS 16 0.566 7.101 6.073 133 2HB LYS 16 1HB LYS 16 1.823 5.940 6.491 134 1HG LYS 16 2HG LYS 16 2.585 7.958 7.449 135 2HG LYS 16 1HG LYS 16 3.483 7.852 5.934 136 1HD LYS 16 2HD LYS 16 1.800 9.308 4.845 137 2HD LYS 16 1HD LYS 16 0.935 9.438 6.377 138 1HE LYS 16 2HE LYS 16 2.238 11.308 6.653 139 2HE LYS 16 1HE LYS 16 3.476 10.135 7.147 140 1HZ LYS 16 1HZ LYS 16 4.207 11.617 5.315 141 2HZ LYS 16 2HZ LYS 16 2.986 10.962 4.336 142 3HZ LYS 16 3HZ LYS 16 4.243 9.969 4.902 143 H GLU 17 HN GLU 17 0.123 4.724 4.720 144 HA GLU 17 HA GLU 17 1.680 2.355 4.896 145 1HB GLU 17 2HB GLU 17 -1.128 2.952 3.929 146 2HB GLU 17 1HB GLU 17 -0.523 1.303 4.092 147 1HG GLU 17 2HG GLU 17 -0.567 3.349 6.328 148 2HG GLU 17 1HG GLU 17 -1.762 2.071 6.110 149 H LEU 18 HN LEU 18 -0.123 3.538 2.044 150 HA LEU 18 HA LEU 18 0.878 1.694 0.141 151 1HB LEU 18 2HB LEU 18 -0.954 3.668 0.183 152 2HB LEU 18 1HB LEU 18 0.343 4.536 -0.633 153 HG LEU 18 HG LEU 18 0.454 2.791 -2.353 154 1HD1 LEU 18 1HD1 LEU 18 -0.899 1.226 -0.420 155 2HD1 LEU 18 2HD1 LEU 18 -0.415 0.713 -2.028 156 3HD1 LEU 18 3HD1 LEU 18 -2.017 1.399 -1.757 157 1HD2 LEU 18 1HD2 LEU 18 -2.142 4.151 -1.741 158 2HD2 LEU 18 2HD2 LEU 18 -2.060 3.050 -3.117 159 3HD2 LEU 18 3HD2 LEU 18 -1.002 4.459 -3.050 160 H ARG 19 HN ARG 19 2.144 4.913 1.039 161 HA ARG 19 HA ARG 19 4.323 4.971 -0.813 162 1HB ARG 19 2HB ARG 19 3.813 6.194 1.907 163 2HB ARG 19 1HB ARG 19 5.247 6.582 0.955 164 1HG ARG 19 2HG ARG 19 2.649 6.728 -0.479 165 2HG ARG 19 1HG ARG 19 2.931 7.966 0.746 166 1HD ARG 19 2HD ARG 19 4.626 8.952 -0.456 167 2HD ARG 19 1HD ARG 19 5.201 7.404 -1.104 168 HE ARG 19 HE ARG 19 2.985 9.021 -2.216 169 1HH1 ARG 19 1HH2 ARG 19 5.427 7.626 -3.573 170 2HH1 ARG 19 2HH2 ARG 19 4.601 6.399 -4.474 171 1HH2 ARG 19 1HH1 ARG 19 1.617 6.763 -2.748 172 2HH2 ARG 19 2HH1 ARG 19 2.445 5.911 -4.008 173 H ASP 20 HN ASP 20 3.856 3.176 2.146 174 HA ASP 20 HA ASP 20 6.757 2.538 2.356 175 1HB ASP 20 2HB ASP 20 5.298 3.256 4.308 176 2HB ASP 20 1HB ASP 20 4.437 1.726 4.130 177 H PHE 21 HN PHE 21 3.602 1.026 1.702 178 HA PHE 21 HA PHE 21 4.452 -1.715 1.732 179 1HB PHE 21 2HB PHE 21 2.116 -0.965 1.759 180 2HB PHE 21 1HB PHE 21 2.262 -0.348 0.125 181 HD1 PHE 21 1HD PHE 21 2.247 -1.831 -1.786 182 HD2 PHE 21 2HD PHE 21 2.456 -3.363 2.213 183 HE1 PHE 21 1HE PHE 21 1.874 -4.129 -2.649 184 HE2 PHE 21 2HE PHE 21 2.056 -5.668 1.360 185 HZ PHE 21 HZ PHE 21 1.771 -6.046 -1.076 186 H ILE 22 HN ILE 22 3.545 0.018 -1.242 187 HA ILE 22 HA ILE 22 4.786 -1.597 -3.135 188 HB ILE 22 HB ILE 22 4.369 1.408 -3.065 189 1HG1 ILE 22 2HG1 ILE 22 2.535 0.214 -4.763 190 2HG1 ILE 22 1HG1 ILE 22 2.681 -0.966 -3.467 191 1HG2 ILE 22 1HG2 ILE 22 4.521 1.337 -5.496 192 2HG2 ILE 22 2HG2 ILE 22 4.762 -0.410 -5.460 193 3HG2 ILE 22 3HG2 ILE 22 6.009 0.665 -4.828 194 1HD1 ILE 22 1HD1 ILE 22 1.709 0.399 -1.933 195 2HD1 ILE 22 2HD1 ILE 22 1.017 1.164 -3.363 196 3HD1 ILE 22 3HD1 ILE 22 2.454 1.850 -2.604 197 H GLU 23 HN GLU 23 6.214 0.901 -1.112 198 HA GLU 23 HA GLU 23 8.755 1.165 -2.436 199 1HB GLU 23 2HB GLU 23 7.813 2.699 -0.713 200 2HB GLU 23 1HB GLU 23 8.013 1.433 0.500 201 1HG GLU 23 2HG GLU 23 10.402 2.154 -1.136 202 2HG GLU 23 1HG GLU 23 9.887 3.303 0.100 203 H LYS 24 HN LYS 24 7.487 -1.143 -0.087 204 HA LYS 24 HA LYS 24 10.124 -2.480 0.191 205 1HB LYS 24 2HB LYS 24 8.619 -2.045 2.134 206 2HB LYS 24 1HB LYS 24 7.391 -3.064 1.383 207 1HG LYS 24 2HG LYS 24 8.737 -5.017 1.583 208 2HG LYS 24 1HG LYS 24 10.182 -4.074 1.947 209 1HD LYS 24 2HD LYS 24 7.848 -3.732 3.768 210 2HD LYS 24 1HD LYS 24 8.737 -5.251 3.876 211 1HE LYS 24 2HE LYS 24 10.812 -4.097 4.332 212 2HE LYS 24 1HE LYS 24 10.065 -2.523 3.989 213 1HZ LYS 24 1HZ LYS 24 8.468 -2.955 5.774 214 2HZ LYS 24 2HZ LYS 24 10.059 -2.930 6.361 215 3HZ LYS 24 3HZ LYS 24 9.260 -4.414 6.137 216 H PHE 25 HN PHE 25 6.782 -3.301 -0.820 217 HA PHE 25 HA PHE 25 7.686 -5.807 -2.026 218 1HB PHE 25 2HB PHE 25 5.587 -5.585 -0.714 219 2HB PHE 25 1HB PHE 25 4.978 -4.452 -1.920 220 HD1 PHE 25 1HD PHE 25 3.333 -5.447 -3.206 221 HD2 PHE 25 2HD PHE 25 6.823 -7.719 -2.165 222 HE1 PHE 25 1HE PHE 25 2.510 -7.338 -4.585 223 HE2 PHE 25 2HE PHE 25 6.004 -9.612 -3.544 224 HZ PHE 25 HZ PHE 25 3.846 -9.421 -4.754 225 H LYS 26 HN LYS 26 8.969 -3.778 -3.345 226 HA LYS 26 HA LYS 26 7.629 -2.558 -5.538 227 1HB LYS 26 2HB LYS 26 10.487 -3.495 -5.175 228 2HB LYS 26 1HB LYS 26 9.960 -2.383 -6.439 229 1HG LYS 26 2HG LYS 26 9.159 -0.802 -4.721 230 2HG LYS 26 1HG LYS 26 9.683 -1.913 -3.455 231 1HD LYS 26 2HD LYS 26 11.571 -0.828 -5.554 232 2HD LYS 26 1HD LYS 26 11.312 -0.032 -4.002 233 1HE LYS 26 2HE LYS 26 11.855 -2.935 -3.803 234 2HE LYS 26 1HE LYS 26 13.211 -1.958 -4.403 235 1HZ LYS 26 1HZ LYS 26 13.154 -2.001 -1.971 236 2HZ LYS 26 2HZ LYS 26 11.590 -1.345 -1.987 237 3HZ LYS 26 3HZ LYS 26 12.899 -0.430 -2.567 238 H GLY 27 HN GLY 27 8.548 -5.846 -5.054 239 1HA GLY 27 2HA GLY 27 8.980 -6.752 -7.699 240 2HA GLY 27 1HA GLY 27 8.310 -7.748 -6.407 241 H ARG 28 HN ARG 28 5.951 -7.607 -6.044 242 HA ARG 28 HA ARG 28 4.497 -6.998 -8.593 243 1HB ARG 28 2HB ARG 28 4.711 -9.298 -6.970 244 2HB ARG 28 1HB ARG 28 3.096 -8.666 -6.658 245 1HG ARG 28 2HG ARG 28 2.359 -9.168 -8.749 246 2HG ARG 28 1HG ARG 28 3.864 -8.653 -9.508 247 1HD ARG 28 2HD ARG 28 4.446 -10.829 -9.752 248 2HD ARG 28 1HD ARG 28 4.450 -11.006 -7.986 249 HE ARG 28 HE ARG 28 1.782 -11.047 -9.227 250 1HH1 ARG 28 1HH2 ARG 28 4.326 -13.169 -9.452 251 2HH1 ARG 28 2HH2 ARG 28 3.555 -14.484 -8.630 252 1HH2 ARG 28 1HH1 ARG 28 0.854 -12.586 -7.568 253 2HH2 ARG 28 2HH1 ARG 28 1.589 -14.155 -7.564 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 -12.632 8.501 5.210 2 2H GLU 1 2HT GLU 1 -12.862 6.879 4.758 3 3H GLU 1 3HT GLU 1 -14.185 7.823 5.251 4 HA GLU 1 HA GLU 1 -14.159 7.563 2.832 5 1HB GLU 1 2HB GLU 1 -14.418 9.846 4.457 6 2HB GLU 1 1HB GLU 1 -13.482 10.394 3.069 7 1HG GLU 1 2HG GLU 1 -15.281 9.084 1.678 8 2HG GLU 1 1HG GLU 1 -16.255 9.242 3.140 9 H GLN 2 HN GLN 2 -12.193 6.406 2.158 10 HA GLN 2 HA GLN 2 -10.230 8.204 0.859 11 1HB GLN 2 2HB GLN 2 -9.788 6.583 3.286 12 2HB GLN 2 1HB GLN 2 -8.571 6.344 2.033 13 1HG GLN 2 2HG GLN 2 -7.604 8.204 2.910 14 2HG GLN 2 1HG GLN 2 -8.842 9.076 2.008 15 1HE2 GLN 2 1HE2 GLN 2 -7.860 10.261 4.345 16 2HE2 GLN 2 2HE2 GLN 2 -9.040 10.202 5.563 17 H TYR 3 HN TYR 3 -8.874 6.994 -0.702 18 HA TYR 3 HA TYR 3 -10.262 5.174 -2.324 19 1HB TYR 3 2HB TYR 3 -7.968 4.747 -3.289 20 2HB TYR 3 1HB TYR 3 -8.405 6.447 -3.132 21 HD1 TYR 3 1HD TYR 3 -6.943 7.897 -2.100 22 HD2 TYR 3 2HD TYR 3 -6.722 3.712 -1.172 23 HE1 TYR 3 1HE TYR 3 -4.966 8.313 -0.680 24 HE2 TYR 3 2HE TYR 3 -4.753 4.131 0.243 25 HH TYR 3 HH TYR 3 -3.050 7.101 0.199 26 H THR 4 HN THR 4 -10.001 2.893 -2.693 27 HA THR 4 HA THR 4 -9.136 1.375 -0.255 28 HB THR 4 HB THR 4 -10.783 -0.325 -1.264 29 HG1 THR 4 1HG THR 4 -12.203 0.538 -2.776 30 1HG2 THR 4 1HG2 THR 4 -11.475 2.363 -0.141 31 2HG2 THR 4 2HG2 THR 4 -11.644 0.768 0.593 32 3HG2 THR 4 3HG2 THR 4 -12.780 1.292 -0.650 33 H ALA 5 HN ALA 5 -7.197 2.108 -2.202 34 HA ALA 5 HA ALA 5 -6.651 0.394 -4.335 35 1HB ALA 5 1HB ALA 5 -5.397 2.433 -3.179 36 2HB ALA 5 2HB ALA 5 -4.514 1.280 -4.183 37 3HB ALA 5 3HB ALA 5 -4.472 1.129 -2.421 38 H LYS 6 HN LYS 6 -6.268 -1.791 -4.445 39 HA LYS 6 HA LYS 6 -5.420 -3.198 -1.932 40 1HB LYS 6 2HB LYS 6 -6.528 -5.182 -2.997 41 2HB LYS 6 1HB LYS 6 -7.640 -3.854 -2.672 42 1HG LYS 6 2HG LYS 6 -8.073 -3.528 -4.867 43 2HG LYS 6 1HG LYS 6 -6.373 -3.662 -5.312 44 1HD LYS 6 2HD LYS 6 -6.961 -6.256 -4.619 45 2HD LYS 6 1HD LYS 6 -8.488 -5.723 -5.323 46 1HE LYS 6 2HE LYS 6 -7.576 -5.448 -7.432 47 2HE LYS 6 1HE LYS 6 -5.971 -5.037 -6.795 48 1HZ LYS 6 1HZ LYS 6 -7.236 -7.719 -6.595 49 2HZ LYS 6 2HZ LYS 6 -5.674 -7.303 -6.083 50 3HZ LYS 6 3HZ LYS 6 -6.053 -7.296 -7.738 51 H TYR 7 HN TYR 7 -3.662 -4.604 -2.080 52 HA TYR 7 HA TYR 7 -2.235 -4.687 -4.719 53 1HB TYR 7 2HB TYR 7 -1.286 -4.170 -1.898 54 2HB TYR 7 1HB TYR 7 -0.170 -4.604 -3.196 55 HD1 TYR 7 1HD TYR 7 0.625 -2.968 -4.653 56 HD2 TYR 7 2HD TYR 7 -2.913 -2.215 -2.360 57 HE1 TYR 7 1HE TYR 7 0.620 -0.628 -5.449 58 HE2 TYR 7 2HE TYR 7 -2.941 0.132 -3.151 59 HH TYR 7 HH TYR 7 -1.041 1.202 -5.762 60 H LYS 8 HN LYS 8 -1.487 -6.179 -1.574 61 HA LYS 8 HA LYS 8 -1.580 -8.871 -2.889 62 1HB LYS 8 2HB LYS 8 0.587 -7.932 -1.970 63 2HB LYS 8 1HB LYS 8 -0.152 -7.961 -0.368 64 1HG LYS 8 2HG LYS 8 0.931 -10.024 -0.402 65 2HG LYS 8 1HG LYS 8 -0.676 -10.470 -0.977 66 1HD LYS 8 2HD LYS 8 0.042 -10.843 -3.123 67 2HD LYS 8 1HD LYS 8 1.276 -9.586 -3.039 68 1HE LYS 8 2HE LYS 8 2.383 -11.767 -3.119 69 2HE LYS 8 1HE LYS 8 2.595 -11.092 -1.491 70 1HZ LYS 8 1HZ LYS 8 0.682 -12.315 -0.733 71 2HZ LYS 8 2HZ LYS 8 1.781 -13.401 -1.442 72 3HZ LYS 8 3HZ LYS 8 0.395 -12.921 -2.295 73 H GLY 9 HN GLY 9 -4.048 -7.992 -2.169 74 1HA GLY 9 2HA GLY 9 -5.912 -8.785 -0.954 75 2HA GLY 9 1HA GLY 9 -4.819 -9.820 -0.030 76 H ARG 10 HN ARG 10 -4.345 -6.358 -0.412 77 HA ARG 10 HA ARG 10 -5.271 -5.859 2.384 78 1HB ARG 10 2HB ARG 10 -2.530 -5.195 1.243 79 2HB ARG 10 1HB ARG 10 -3.091 -4.799 2.869 80 1HG ARG 10 2HG ARG 10 -3.432 -7.253 3.290 81 2HG ARG 10 1HG ARG 10 -2.688 -7.578 1.724 82 1HD ARG 10 2HD ARG 10 -0.575 -7.007 2.458 83 2HD ARG 10 1HD ARG 10 -1.189 -5.798 3.604 84 HE ARG 10 HE ARG 10 -1.483 -8.745 4.067 85 1HH1 ARG 10 1HH1 ARG 10 0.408 -6.224 5.052 86 2HH1 ARG 10 2HH1 ARG 10 -0.001 -6.306 6.732 87 1HH2 ARG 10 1HH2 ARG 10 -2.598 -8.556 6.262 88 2HH2 ARG 10 2HH2 ARG 10 -1.703 -7.627 7.417 89 H THR 11 HN THR 11 -6.817 -4.270 1.886 90 HA THR 11 HA THR 11 -6.493 -2.367 -0.272 91 HB THR 11 HB THR 11 -8.274 -2.248 2.182 92 HG1 THR 11 1HG THR 11 -9.743 -3.359 0.861 93 1HG2 THR 11 1HG2 THR 11 -9.336 -0.512 1.177 94 2HG2 THR 11 2HG2 THR 11 -9.238 -1.263 -0.415 95 3HG2 THR 11 3HG2 THR 11 -7.865 -0.353 0.215 96 H PHE 12 HN PHE 12 -5.931 -0.101 -0.063 97 HA PHE 12 HA PHE 12 -4.487 0.578 2.475 98 1HB PHE 12 2HB PHE 12 -4.003 1.172 -0.454 99 2HB PHE 12 1HB PHE 12 -3.223 2.122 0.823 100 HD1 PHE 12 1HD PHE 12 -1.521 1.139 2.275 101 HD2 PHE 12 2HD PHE 12 -3.585 -1.198 -0.688 102 HE1 PHE 12 1HE PHE 12 0.140 -0.689 2.557 103 HE2 PHE 12 2HE PHE 12 -1.935 -3.044 -0.380 104 HZ PHE 12 HZ PHE 12 -0.074 -2.777 1.236 105 H ARG 13 HN ARG 13 -5.252 2.281 3.589 106 HA ARG 13 HA ARG 13 -6.985 4.288 2.187 107 1HB ARG 13 2HB ARG 13 -8.324 4.319 4.290 108 2HB ARG 13 1HB ARG 13 -8.303 2.715 3.560 109 1HG ARG 13 2HG ARG 13 -6.486 2.044 5.107 110 2HG ARG 13 1HG ARG 13 -6.539 3.642 5.850 111 1HD ARG 13 2HD ARG 13 -8.079 2.757 7.276 112 2HD ARG 13 1HD ARG 13 -9.207 2.791 5.906 113 HE ARG 13 HE ARG 13 -7.472 0.442 6.571 114 1HH1 ARG 13 1HH1 ARG 13 -10.636 1.233 6.673 115 2HH1 ARG 13 2HH1 ARG 13 -11.198 0.048 5.541 116 1HH2 ARG 13 1HH2 ARG 13 -8.019 -0.806 4.451 117 2HH2 ARG 13 2HH2 ARG 13 -9.716 -1.106 4.284 118 H ASN 14 HN ASN 14 -4.169 4.479 2.587 119 HA ASN 14 HA ASN 14 -3.984 7.014 4.013 120 1HB ASN 14 2HB ASN 14 -4.012 5.587 5.941 121 2HB ASN 14 1HB ASN 14 -2.911 4.432 5.194 122 1HD2 ASN 14 1HD2 ASN 14 -2.978 7.920 6.067 123 2HD2 ASN 14 2HD2 ASN 14 -1.374 7.972 6.622 124 H GLU 15 HN GLU 15 -2.540 8.118 2.786 125 HA GLU 15 HA GLU 15 -0.949 7.057 0.704 126 1HB GLU 15 2HB GLU 15 -1.698 9.494 1.539 127 2HB GLU 15 1HB GLU 15 -0.049 9.499 2.166 128 1HG GLU 15 2HG GLU 15 0.714 8.767 -0.146 129 2HG GLU 15 1HG GLU 15 -0.927 9.096 -0.703 130 H LYS 16 HN LYS 16 0.076 7.974 4.011 131 HA LYS 16 HA LYS 16 2.811 7.366 3.810 132 1HB LYS 16 2HB LYS 16 1.018 8.195 5.739 133 2HB LYS 16 1HB LYS 16 1.540 6.627 6.352 134 1HG LYS 16 2HG LYS 16 3.576 8.603 5.349 135 2HG LYS 16 1HG LYS 16 2.923 8.759 6.980 136 1HD LYS 16 2HD LYS 16 3.859 6.058 6.111 137 2HD LYS 16 1HD LYS 16 5.083 7.271 6.486 138 1HE LYS 16 2HE LYS 16 4.723 7.032 8.712 139 2HE LYS 16 1HE LYS 16 2.976 7.263 8.507 140 1HZ LYS 16 1HZ LYS 16 4.463 4.754 7.932 141 2HZ LYS 16 2HZ LYS 16 2.795 4.983 7.735 142 3HZ LYS 16 3HZ LYS 16 3.477 5.021 9.289 143 H GLU 17 HN GLU 17 0.139 5.281 4.715 144 HA GLU 17 HA GLU 17 1.533 2.888 5.335 145 1HB GLU 17 2HB GLU 17 -1.176 3.746 4.520 146 2HB GLU 17 1HB GLU 17 -0.819 2.062 4.154 147 1HG GLU 17 2HG GLU 17 -0.531 3.374 6.870 148 2HG GLU 17 1HG GLU 17 -1.826 2.283 6.377 149 H LEU 18 HN LEU 18 -0.285 3.359 2.317 150 HA LEU 18 HA LEU 18 0.792 1.263 0.842 151 1HB LEU 18 2HB LEU 18 -1.154 2.772 0.310 152 2HB LEU 18 1HB LEU 18 0.009 3.985 -0.228 153 HG LEU 18 HG LEU 18 0.938 2.249 -1.811 154 1HD1 LEU 18 1HD1 LEU 18 -0.298 0.387 -0.409 155 2HD1 LEU 18 2HD1 LEU 18 -0.139 0.206 -2.146 156 3HD1 LEU 18 3HD1 LEU 18 -1.655 0.780 -1.456 157 1HD2 LEU 18 1HD2 LEU 18 -1.960 2.597 -2.458 158 2HD2 LEU 18 2HD2 LEU 18 -0.544 2.894 -3.467 159 3HD2 LEU 18 3HD2 LEU 18 -0.987 4.048 -2.209 160 H ARG 19 HN ARG 19 2.022 4.653 0.806 161 HA ARG 19 HA ARG 19 4.128 4.261 -1.042 162 1HB ARG 19 2HB ARG 19 3.816 6.019 1.407 163 2HB ARG 19 1HB ARG 19 5.181 6.176 0.299 164 1HG ARG 19 2HG ARG 19 2.448 6.093 -0.889 165 2HG ARG 19 1HG ARG 19 2.927 7.573 -0.058 166 1HD ARG 19 2HD ARG 19 4.649 8.025 -1.577 167 2HD ARG 19 1HD ARG 19 4.809 6.321 -2.050 168 HE ARG 19 HE ARG 19 2.488 8.049 -2.824 169 1HH1 ARG 19 1HH1 ARG 19 3.380 4.845 -2.791 170 2HH1 ARG 19 2HH1 ARG 19 3.227 4.585 -4.496 171 1HH2 ARG 19 1HH2 ARG 19 2.806 7.945 -5.238 172 2HH2 ARG 19 2HH2 ARG 19 2.902 6.339 -5.881 173 H ASP 20 HN ASP 20 3.895 3.382 2.361 174 HA ASP 20 HA ASP 20 6.714 2.643 2.674 175 1HB ASP 20 2HB ASP 20 5.037 3.348 4.479 176 2HB ASP 20 1HB ASP 20 4.284 1.767 4.275 177 H PHE 21 HN PHE 21 3.635 1.056 2.004 178 HA PHE 21 HA PHE 21 4.495 -1.697 1.908 179 1HB PHE 21 2HB PHE 21 2.163 -1.037 2.007 180 2HB PHE 21 1HB PHE 21 2.299 -0.107 0.529 181 HD1 PHE 21 1HD PHE 21 2.121 -1.137 -1.631 182 HD2 PHE 21 2HD PHE 21 2.528 -3.487 1.944 183 HE1 PHE 21 1HE PHE 21 1.648 -3.213 -2.927 184 HE2 PHE 21 2HE PHE 21 2.033 -5.560 0.651 185 HZ PHE 21 HZ PHE 21 1.598 -5.415 -1.788 186 H ILE 22 HN ILE 22 3.712 0.521 -0.703 187 HA ILE 22 HA ILE 22 4.552 -0.816 -2.985 188 HB ILE 22 HB ILE 22 4.777 2.118 -2.227 189 1HG1 ILE 22 2HG1 ILE 22 2.511 1.045 -2.015 190 2HG1 ILE 22 1HG1 ILE 22 2.562 2.301 -3.248 191 1HG2 ILE 22 1HG2 ILE 22 4.720 2.579 -4.634 192 2HG2 ILE 22 2HG2 ILE 22 4.672 0.849 -4.977 193 3HG2 ILE 22 3HG2 ILE 22 6.112 1.565 -4.253 194 1HD1 ILE 22 1HD1 ILE 22 1.904 -0.488 -3.505 195 2HD1 ILE 22 2HD1 ILE 22 3.279 -0.110 -4.537 196 3HD1 ILE 22 3HD1 ILE 22 1.777 0.795 -4.707 197 H GLU 23 HN GLU 23 6.532 0.835 -0.592 198 HA GLU 23 HA GLU 23 9.013 0.874 -2.092 199 1HB GLU 23 2HB GLU 23 8.155 2.094 0.103 200 2HB GLU 23 1HB GLU 23 8.877 0.699 0.904 201 1HG GLU 23 2HG GLU 23 10.349 2.407 -1.119 202 2HG GLU 23 1HG GLU 23 10.443 2.664 0.623 203 H LYS 24 HN LYS 24 7.546 -1.419 0.195 204 HA LYS 24 HA LYS 24 9.851 -3.226 0.188 205 1HB LYS 24 2HB LYS 24 7.934 -2.756 1.946 206 2HB LYS 24 1HB LYS 24 7.056 -3.968 1.013 207 1HG LYS 24 2HG LYS 24 8.117 -5.418 2.430 208 2HG LYS 24 1HG LYS 24 9.440 -5.229 1.279 209 1HD LYS 24 2HD LYS 24 10.431 -3.465 2.647 210 2HD LYS 24 1HD LYS 24 9.070 -3.536 3.768 211 1HE LYS 24 2HE LYS 24 9.655 -5.807 4.426 212 2HE LYS 24 1HE LYS 24 10.935 -5.869 3.197 213 1HZ LYS 24 1HZ LYS 24 10.795 -3.818 5.341 214 2HZ LYS 24 2HZ LYS 24 12.068 -4.071 4.249 215 3HZ LYS 24 3HZ LYS 24 11.737 -5.228 5.449 216 H PHE 25 HN PHE 25 6.494 -3.481 -1.039 217 HA PHE 25 HA PHE 25 7.158 -5.803 -2.665 218 1HB PHE 25 2HB PHE 25 5.018 -5.512 -1.436 219 2HB PHE 25 1HB PHE 25 4.649 -4.118 -2.450 220 HD1 PHE 25 1HD PHE 25 3.042 -4.604 -4.040 221 HD2 PHE 25 2HD PHE 25 6.015 -7.557 -3.108 222 HE1 PHE 25 1HE PHE 25 2.092 -6.105 -5.775 223 HE2 PHE 25 2HE PHE 25 5.069 -9.059 -4.841 224 HZ PHE 25 HZ PHE 25 3.107 -8.334 -6.174 225 H LYS 26 HN LYS 26 8.817 -3.901 -3.620 226 HA LYS 26 HA LYS 26 7.777 -2.125 -5.613 227 1HB LYS 26 2HB LYS 26 10.371 -3.266 -4.761 228 2HB LYS 26 1HB LYS 26 10.316 -2.689 -6.426 229 1HG LYS 26 2HG LYS 26 9.707 -0.487 -5.756 230 2HG LYS 26 1HG LYS 26 9.318 -1.013 -4.118 231 1HD LYS 26 2HD LYS 26 11.503 -1.000 -3.450 232 2HD LYS 26 1HD LYS 26 12.088 -1.579 -5.010 233 1HE LYS 26 2HE LYS 26 12.867 0.704 -4.751 234 2HE LYS 26 1HE LYS 26 11.549 0.740 -5.938 235 1HZ LYS 26 1HZ LYS 26 11.156 1.127 -3.020 236 2HZ LYS 26 2HZ LYS 26 10.002 1.335 -4.245 237 3HZ LYS 26 3HZ LYS 26 11.313 2.408 -4.124 238 H GLY 27 HN GLY 27 8.361 -5.538 -5.640 239 1HA GLY 27 2HA GLY 27 7.682 -7.116 -7.272 240 2HA GLY 27 1HA GLY 27 7.190 -5.777 -8.310 241 H ARG 28 HN ARG 28 10.380 -6.027 -6.848 242 HA ARG 28 HA ARG 28 11.564 -6.157 -9.588 243 1HB ARG 28 2HB ARG 28 12.034 -4.276 -7.953 244 2HB ARG 28 1HB ARG 28 12.837 -5.462 -6.924 245 1HG ARG 28 2HG ARG 28 13.697 -5.492 -9.756 246 2HG ARG 28 1HG ARG 28 14.104 -4.021 -8.873 247 1HD ARG 28 2HD ARG 28 15.034 -5.546 -7.031 248 2HD ARG 28 1HD ARG 28 14.911 -6.865 -8.213 249 HE ARG 28 HE ARG 28 16.257 -5.233 -9.744 250 1HH1 ARG 28 1HH1 ARG 28 16.397 -3.438 -7.161 251 2HH1 ARG 28 2HH1 ARG 28 18.045 -3.717 -6.713 252 1HH2 ARG 28 1HH2 ARG 28 18.428 -6.454 -8.807 253 2HH2 ARG 28 2HH2 ARG 28 19.196 -5.425 -7.645 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 -14.028 10.027 3.692 2 2H GLU 1 2HT GLU 1 -15.519 9.213 3.693 3 3H GLU 1 3HT GLU 1 -14.855 9.777 2.233 4 HA GLU 1 HA GLU 1 -13.684 7.639 3.944 5 1HB GLU 1 2HB GLU 1 -15.922 7.558 2.385 6 2HB GLU 1 1HB GLU 1 -14.683 7.168 1.191 7 1HG GLU 1 2HG GLU 1 -13.818 5.537 3.084 8 2HG GLU 1 1HG GLU 1 -15.484 5.656 3.652 9 H GLN 2 HN GLN 2 -12.173 6.350 2.291 10 HA GLN 2 HA GLN 2 -10.633 8.295 0.611 11 1HB GLN 2 2HB GLN 2 -9.871 6.776 3.038 12 2HB GLN 2 1HB GLN 2 -8.695 6.721 1.726 13 1HG GLN 2 2HG GLN 2 -8.013 8.667 2.775 14 2HG GLN 2 1HG GLN 2 -9.189 9.334 1.642 15 1HE2 GLN 2 1HE2 GLN 2 -10.621 10.751 2.633 16 2HE2 GLN 2 2HE2 GLN 2 -11.146 10.646 4.243 17 H TYR 3 HN TYR 3 -9.002 7.040 -0.787 18 HA TYR 3 HA TYR 3 -10.252 5.210 -2.487 19 1HB TYR 3 2HB TYR 3 -7.876 4.698 -3.200 20 2HB TYR 3 1HB TYR 3 -8.305 6.406 -3.156 21 HD1 TYR 3 1HD TYR 3 -6.908 7.873 -2.088 22 HD2 TYR 3 2HD TYR 3 -6.882 3.747 -0.878 23 HE1 TYR 3 1HE TYR 3 -5.080 8.347 -0.500 24 HE2 TYR 3 2HE TYR 3 -5.058 4.235 0.704 25 HH TYR 3 HH TYR 3 -3.134 6.150 0.769 26 H THR 4 HN THR 4 -9.801 2.924 -2.875 27 HA THR 4 HA THR 4 -9.281 1.395 -0.345 28 HB THR 4 HB THR 4 -10.992 0.563 -2.702 29 HG1 THR 4 1HG THR 4 -12.611 1.659 -1.883 30 1HG2 THR 4 1HG2 THR 4 -11.185 -0.233 0.207 31 2HG2 THR 4 2HG2 THR 4 -10.180 -1.107 -0.949 32 3HG2 THR 4 3HG2 THR 4 -11.925 -1.023 -1.186 33 H ALA 5 HN ALA 5 -7.193 2.154 -2.184 34 HA ALA 5 HA ALA 5 -6.490 0.396 -4.236 35 1HB ALA 5 1HB ALA 5 -5.335 2.466 -2.976 36 2HB ALA 5 2HB ALA 5 -4.418 1.362 -4.004 37 3HB ALA 5 3HB ALA 5 -4.404 1.147 -2.250 38 H LYS 6 HN LYS 6 -6.173 -1.792 -4.257 39 HA LYS 6 HA LYS 6 -5.502 -3.146 -1.673 40 1HB LYS 6 2HB LYS 6 -6.525 -5.148 -2.788 41 2HB LYS 6 1HB LYS 6 -7.649 -3.808 -2.565 42 1HG LYS 6 2HG LYS 6 -7.722 -3.309 -4.823 43 2HG LYS 6 1HG LYS 6 -6.107 -3.949 -5.126 44 1HD LYS 6 2HD LYS 6 -7.714 -5.471 -6.113 45 2HD LYS 6 1HD LYS 6 -7.012 -6.254 -4.697 46 1HE LYS 6 2HE LYS 6 -8.961 -5.756 -3.356 47 2HE LYS 6 1HE LYS 6 -9.637 -4.726 -4.635 48 1HZ LYS 6 1HZ LYS 6 -10.580 -6.957 -4.732 49 2HZ LYS 6 2HZ LYS 6 -9.026 -7.625 -4.888 50 3HZ LYS 6 3HZ LYS 6 -9.656 -6.636 -6.117 51 H TYR 7 HN TYR 7 -3.766 -4.512 -1.573 52 HA TYR 7 HA TYR 7 -2.133 -4.898 -4.058 53 1HB TYR 7 2HB TYR 7 -1.327 -3.967 -1.302 54 2HB TYR 7 1HB TYR 7 -0.165 -4.540 -2.485 55 HD1 TYR 7 1HD TYR 7 0.615 -3.164 -4.167 56 HD2 TYR 7 2HD TYR 7 -2.904 -2.082 -1.987 57 HE1 TYR 7 1HE TYR 7 0.645 -0.946 -5.256 58 HE2 TYR 7 2HE TYR 7 -2.914 0.146 -3.055 59 HH TYR 7 HH TYR 7 -1.058 0.853 -5.802 60 H LYS 8 HN LYS 8 -2.144 -7.083 -4.369 61 HA LYS 8 HA LYS 8 -2.047 -9.404 -3.925 62 1HB LYS 8 2HB LYS 8 -0.118 -7.961 -2.232 63 2HB LYS 8 1HB LYS 8 -0.517 -9.569 -1.629 64 1HG LYS 8 2HG LYS 8 0.322 -8.992 -4.485 65 2HG LYS 8 1HG LYS 8 1.426 -9.547 -3.225 66 1HD LYS 8 2HD LYS 8 -1.080 -11.113 -3.580 67 2HD LYS 8 1HD LYS 8 0.125 -11.251 -4.861 68 1HE LYS 8 2HE LYS 8 1.723 -12.199 -3.439 69 2HE LYS 8 1HE LYS 8 0.985 -11.500 -1.984 70 1HZ LYS 8 1HZ LYS 8 -0.881 -12.932 -2.196 71 2HZ LYS 8 2HZ LYS 8 0.496 -13.913 -2.324 72 3HZ LYS 8 3HZ LYS 8 -0.375 -13.488 -3.720 73 H GLY 9 HN GLY 9 -4.178 -7.683 -2.476 74 1HA GLY 9 2HA GLY 9 -6.067 -8.687 -1.312 75 2HA GLY 9 1HA GLY 9 -4.949 -9.805 -0.534 76 H ARG 10 HN ARG 10 -4.297 -6.350 -0.766 77 HA ARG 10 HA ARG 10 -5.019 -5.998 2.117 78 1HB ARG 10 2HB ARG 10 -2.360 -5.352 0.795 79 2HB ARG 10 1HB ARG 10 -2.779 -4.981 2.467 80 1HG ARG 10 2HG ARG 10 -3.212 -7.452 2.810 81 2HG ARG 10 1HG ARG 10 -2.517 -7.724 1.212 82 1HD ARG 10 2HD ARG 10 -0.452 -6.459 2.026 83 2HD ARG 10 1HD ARG 10 -1.139 -6.585 3.657 84 HE ARG 10 HE ARG 10 -1.279 -9.113 3.132 85 1HH1 ARG 10 1HH2 ARG 10 -0.042 -8.863 0.405 86 2HH1 ARG 10 2HH2 ARG 10 1.616 -9.244 0.727 87 1HH2 ARG 10 1HH1 ARG 10 1.330 -8.787 4.153 88 2HH2 ARG 10 2HH1 ARG 10 2.394 -9.201 2.849 89 H THR 11 HN THR 11 -6.527 -4.338 1.928 90 HA THR 11 HA THR 11 -6.427 -2.346 -0.170 91 HB THR 11 HB THR 11 -7.968 -2.414 2.435 92 HG1 THR 11 1HG THR 11 -9.593 -3.286 1.016 93 1HG2 THR 11 1HG2 THR 11 -9.569 -0.987 1.105 94 2HG2 THR 11 2HG2 THR 11 -8.332 -0.872 -0.149 95 3HG2 THR 11 3HG2 THR 11 -8.028 -0.201 1.452 96 H PHE 12 HN PHE 12 -6.291 0.040 0.305 97 HA PHE 12 HA PHE 12 -4.529 0.669 2.641 98 1HB PHE 12 2HB PHE 12 -4.165 1.212 -0.308 99 2HB PHE 12 1HB PHE 12 -3.459 2.315 0.892 100 HD1 PHE 12 1HD PHE 12 -1.590 1.608 2.300 101 HD2 PHE 12 2HD PHE 12 -3.602 -1.112 -0.348 102 HE1 PHE 12 1HE PHE 12 0.243 -0.052 2.616 103 HE2 PHE 12 2HE PHE 12 -1.793 -2.779 0.011 104 HZ PHE 12 HZ PHE 12 0.127 -2.247 1.478 105 H ARG 13 HN ARG 13 -5.174 2.424 3.764 106 HA ARG 13 HA ARG 13 -7.075 4.364 2.495 107 1HB ARG 13 2HB ARG 13 -7.197 2.812 5.078 108 2HB ARG 13 1HB ARG 13 -8.026 4.363 4.945 109 1HG ARG 13 2HG ARG 13 -9.404 3.590 3.161 110 2HG ARG 13 1HG ARG 13 -8.403 2.159 2.913 111 1HD ARG 13 2HD ARG 13 -10.177 1.252 4.145 112 2HD ARG 13 1HD ARG 13 -9.054 1.678 5.452 113 HE ARG 13 HE ARG 13 -10.327 3.801 5.727 114 1HH1 ARG 13 1HH1 ARG 13 -11.609 2.597 2.946 115 2HH1 ARG 13 2HH1 ARG 13 -13.262 2.595 3.463 116 1HH2 ARG 13 1HH2 ARG 13 -12.504 3.238 6.784 117 2HH2 ARG 13 2HH2 ARG 13 -13.769 2.957 5.634 118 H ASN 14 HN ASN 14 -4.203 4.542 2.804 119 HA ASN 14 HA ASN 14 -3.971 7.115 4.145 120 1HB ASN 14 2HB ASN 14 -4.021 5.126 5.904 121 2HB ASN 14 1HB ASN 14 -2.339 4.933 5.411 122 1HD2 ASN 14 1HD2 ASN 14 -0.879 6.813 5.751 123 2HD2 ASN 14 2HD2 ASN 14 -1.268 7.992 6.907 124 H GLU 15 HN GLU 15 -2.516 8.124 2.835 125 HA GLU 15 HA GLU 15 -0.892 6.891 0.873 126 1HB GLU 15 2HB GLU 15 -1.641 9.406 1.540 127 2HB GLU 15 1HB GLU 15 0.035 9.440 2.092 128 1HG GLU 15 2HG GLU 15 0.657 8.471 -0.191 129 2HG GLU 15 1HG GLU 15 -0.991 8.851 -0.690 130 H LYS 16 HN LYS 16 -0.073 7.806 4.220 131 HA LYS 16 HA LYS 16 2.707 7.411 4.178 132 1HB LYS 16 2HB LYS 16 1.055 8.242 6.008 133 2HB LYS 16 1HB LYS 16 0.961 6.539 6.462 134 1HG LYS 16 2HG LYS 16 3.218 6.440 7.074 135 2HG LYS 16 1HG LYS 16 3.645 7.848 6.101 136 1HD LYS 16 2HD LYS 16 2.134 9.196 7.683 137 2HD LYS 16 1HD LYS 16 2.170 7.783 8.737 138 1HE LYS 16 2HE LYS 16 4.831 8.054 8.201 139 2HE LYS 16 1HE LYS 16 4.310 9.750 8.165 140 1HZ LYS 16 1HZ LYS 16 4.841 8.929 10.431 141 2HZ LYS 16 2HZ LYS 16 3.557 7.825 10.296 142 3HZ LYS 16 3HZ LYS 16 3.246 9.492 10.272 143 H GLU 17 HN GLU 17 0.138 5.072 4.656 144 HA GLU 17 HA GLU 17 1.823 2.774 5.161 145 1HB GLU 17 2HB GLU 17 -1.034 3.322 4.407 146 2HB GLU 17 1HB GLU 17 -0.439 1.663 4.343 147 1HG GLU 17 2HG GLU 17 -0.255 3.474 6.765 148 2HG GLU 17 1HG GLU 17 -1.468 2.215 6.533 149 H LEU 18 HN LEU 18 -0.182 3.547 2.315 150 HA LEU 18 HA LEU 18 0.852 1.587 0.575 151 1HB LEU 18 2HB LEU 18 -1.177 3.205 0.433 152 2HB LEU 18 1HB LEU 18 -0.040 4.336 -0.297 153 HG LEU 18 HG LEU 18 0.516 2.617 -2.007 154 1HD1 LEU 18 1HD1 LEU 18 -0.509 0.783 -0.312 155 2HD1 LEU 18 2HD1 LEU 18 -0.420 0.516 -2.030 156 3HD1 LEU 18 3HD1 LEU 18 -1.923 1.056 -1.309 157 1HD2 LEU 18 1HD2 LEU 18 -2.468 3.072 -1.905 158 2HD2 LEU 18 2HD2 LEU 18 -1.430 2.991 -3.327 159 3HD2 LEU 18 3HD2 LEU 18 -1.330 4.377 -2.241 160 H ARG 19 HN ARG 19 1.990 4.933 1.070 161 HA ARG 19 HA ARG 19 3.991 4.950 -0.972 162 1HB ARG 19 2HB ARG 19 3.622 6.337 1.684 163 2HB ARG 19 1HB ARG 19 5.010 6.684 0.653 164 1HG ARG 19 2HG ARG 19 2.320 6.702 -0.633 165 2HG ARG 19 1HG ARG 19 2.717 8.053 0.430 166 1HD ARG 19 2HD ARG 19 4.946 8.187 -0.894 167 2HD ARG 19 1HD ARG 19 4.115 7.190 -2.105 168 HE ARG 19 HE ARG 19 3.024 9.808 -1.134 169 1HH1 ARG 19 1HH1 ARG 19 1.199 7.999 -2.685 170 2HH1 ARG 19 2HH1 ARG 19 1.406 8.578 -4.304 171 1HH2 ARG 19 1HH2 ARG 19 4.323 10.312 -3.594 172 2HH2 ARG 19 2HH2 ARG 19 3.173 9.890 -4.817 173 H ASP 20 HN ASP 20 3.864 3.306 2.093 174 HA ASP 20 HA ASP 20 6.798 2.795 2.081 175 1HB ASP 20 2HB ASP 20 5.648 3.603 4.130 176 2HB ASP 20 1HB ASP 20 4.609 2.178 4.094 177 H PHE 21 HN PHE 21 3.691 1.223 1.556 178 HA PHE 21 HA PHE 21 4.575 -1.516 1.829 179 1HB PHE 21 2HB PHE 21 2.240 -0.824 1.919 180 2HB PHE 21 1HB PHE 21 2.288 -0.274 0.257 181 HD1 PHE 21 1HD PHE 21 2.149 -1.839 -1.575 182 HD2 PHE 21 2HD PHE 21 2.668 -3.201 2.452 183 HE1 PHE 21 1HE PHE 21 1.747 -4.171 -2.320 184 HE2 PHE 21 2HE PHE 21 2.243 -5.544 1.724 185 HZ PHE 21 HZ PHE 21 1.786 -6.026 -0.669 186 H ILE 22 HN ILE 22 3.502 -0.052 -1.237 187 HA ILE 22 HA ILE 22 4.702 -1.800 -3.041 188 HB ILE 22 HB ILE 22 4.259 1.197 -3.227 189 1HG1 ILE 22 2HG1 ILE 22 2.347 -0.136 -4.723 190 2HG1 ILE 22 1HG1 ILE 22 2.568 -1.209 -3.346 191 1HG2 ILE 22 1HG2 ILE 22 4.232 0.823 -5.671 192 2HG2 ILE 22 2HG2 ILE 22 4.652 -0.870 -5.411 193 3HG2 ILE 22 3HG2 ILE 22 5.804 0.399 -4.992 194 1HD1 ILE 22 1HD1 ILE 22 1.535 0.204 -1.944 195 2HD1 ILE 22 2HD1 ILE 22 0.969 1.040 -3.391 196 3HD1 ILE 22 3HD1 ILE 22 2.422 1.601 -2.562 197 H GLU 23 HN GLU 23 6.161 0.879 -1.290 198 HA GLU 23 HA GLU 23 8.651 1.066 -2.721 199 1HB GLU 23 2HB GLU 23 7.397 2.060 -0.291 200 2HB GLU 23 1HB GLU 23 9.084 1.653 0.017 201 1HG GLU 23 2HG GLU 23 8.173 3.359 -2.316 202 2HG GLU 23 1HG GLU 23 8.721 4.021 -0.775 203 H LYS 24 HN LYS 24 7.525 -1.003 -0.084 204 HA LYS 24 HA LYS 24 10.160 -2.315 0.207 205 1HB LYS 24 2HB LYS 24 7.606 -2.071 1.646 206 2HB LYS 24 1HB LYS 24 8.257 -3.710 1.678 207 1HG LYS 24 2HG LYS 24 9.471 -2.924 3.443 208 2HG LYS 24 1HG LYS 24 10.516 -2.272 2.181 209 1HD LYS 24 2HD LYS 24 9.006 -0.196 2.224 210 2HD LYS 24 1HD LYS 24 8.353 -0.841 3.730 211 1HE LYS 24 2HE LYS 24 10.569 -0.820 4.758 212 2HE LYS 24 1HE LYS 24 11.302 -0.300 3.228 213 1HZ LYS 24 1HZ LYS 24 9.954 1.676 3.254 214 2HZ LYS 24 2HZ LYS 24 10.811 1.582 4.715 215 3HZ LYS 24 3HZ LYS 24 9.162 1.173 4.670 216 H PHE 25 HN PHE 25 6.812 -3.431 -0.479 217 HA PHE 25 HA PHE 25 7.812 -5.891 -1.686 218 1HB PHE 25 2HB PHE 25 5.803 -5.770 -0.232 219 2HB PHE 25 1HB PHE 25 5.023 -4.733 -1.427 220 HD1 PHE 25 1HD PHE 25 3.403 -5.868 -2.626 221 HD2 PHE 25 2HD PHE 25 7.054 -7.889 -1.624 222 HE1 PHE 25 1HE PHE 25 2.635 -7.870 -3.877 223 HE2 PHE 25 2HE PHE 25 6.290 -9.893 -2.873 224 HZ PHE 25 HZ PHE 25 4.079 -9.883 -3.999 225 H LYS 26 HN LYS 26 8.879 -3.930 -3.220 226 HA LYS 26 HA LYS 26 7.317 -2.841 -5.329 227 1HB LYS 26 2HB LYS 26 10.167 -3.458 -4.764 228 2HB LYS 26 1HB LYS 26 9.753 -3.172 -6.455 229 1HG LYS 26 2HG LYS 26 8.430 -1.108 -5.397 230 2HG LYS 26 1HG LYS 26 9.648 -1.294 -4.135 231 1HD LYS 26 2HD LYS 26 10.843 0.075 -5.542 232 2HD LYS 26 1HD LYS 26 11.251 -1.473 -6.286 233 1HE LYS 26 2HE LYS 26 8.999 -1.036 -7.641 234 2HE LYS 26 1HE LYS 26 9.380 0.655 -7.258 235 1HZ LYS 26 1HZ LYS 26 11.166 -1.329 -8.560 236 2HZ LYS 26 2HZ LYS 26 11.680 0.197 -8.018 237 3HZ LYS 26 3HZ LYS 26 10.527 0.077 -9.260 238 H GLY 27 HN GLY 27 8.432 -6.074 -4.797 239 1HA GLY 27 2HA GLY 27 7.059 -7.747 -6.169 240 2HA GLY 27 1HA GLY 27 7.627 -6.836 -7.570 241 H ARG 28 HN ARG 28 10.163 -6.548 -7.507 242 HA ARG 28 HA ARG 28 11.301 -9.259 -7.438 243 1HB ARG 28 2HB ARG 28 12.182 -6.502 -8.298 244 2HB ARG 28 1HB ARG 28 13.314 -7.855 -8.287 245 1HG ARG 28 2HG ARG 28 11.265 -9.036 -9.569 246 2HG ARG 28 1HG ARG 28 10.963 -7.366 -10.047 247 1HD ARG 28 2HD ARG 28 13.805 -8.092 -10.244 248 2HD ARG 28 1HD ARG 28 12.761 -9.067 -11.297 249 HE ARG 28 HE ARG 28 11.877 -6.961 -12.246 250 1HH1 ARG 28 1HH1 ARG 28 12.631 -5.122 -10.001 251 2HH1 ARG 28 2HH1 ARG 28 14.003 -4.294 -10.657 252 1HH2 ARG 28 1HH2 ARG 28 14.521 -6.605 -13.190 253 2HH2 ARG 28 2HH2 ARG 28 15.074 -5.133 -12.462 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 -12.549 9.059 4.074 2 2H GLU 1 2HT GLU 1 -11.927 7.649 4.790 3 3H GLU 1 3HT GLU 1 -13.553 8.078 5.027 4 HA GLU 1 HA GLU 1 -13.313 6.262 3.396 5 1HB GLU 1 2HB GLU 1 -14.511 8.947 3.005 6 2HB GLU 1 1HB GLU 1 -14.466 7.926 1.569 7 1HG GLU 1 2HG GLU 1 -16.491 7.276 2.523 8 2HG GLU 1 1HG GLU 1 -15.388 6.081 3.207 9 H GLN 2 HN GLN 2 -10.619 7.057 3.395 10 HA GLN 2 HA GLN 2 -9.690 8.322 1.001 11 1HB GLN 2 2HB GLN 2 -8.662 6.664 3.213 12 2HB GLN 2 1HB GLN 2 -7.748 6.485 1.715 13 1HG GLN 2 2HG GLN 2 -6.663 8.331 2.565 14 2HG GLN 2 1HG GLN 2 -7.974 9.157 1.722 15 1HE2 GLN 2 1HE2 GLN 2 -8.684 10.821 3.068 16 2HE2 GLN 2 2HE2 GLN 2 -8.986 10.661 4.731 17 H TYR 3 HN TYR 3 -8.323 6.968 -0.661 18 HA TYR 3 HA TYR 3 -9.988 5.401 -2.267 19 1HB TYR 3 2HB TYR 3 -7.792 4.653 -3.296 20 2HB TYR 3 1HB TYR 3 -8.022 6.391 -3.145 21 HD1 TYR 3 1HD TYR 3 -6.269 7.620 -2.349 22 HD2 TYR 3 2HD TYR 3 -6.680 3.548 -1.043 23 HE1 TYR 3 1HE TYR 3 -4.196 7.829 -1.027 24 HE2 TYR 3 2HE TYR 3 -4.618 3.763 0.271 25 HH TYR 3 HH TYR 3 -2.524 5.200 0.196 26 H THR 4 HN THR 4 -9.799 3.076 -2.829 27 HA THR 4 HA THR 4 -9.377 1.407 -0.374 28 HB THR 4 HB THR 4 -11.031 0.807 -2.842 29 HG1 THR 4 1HG THR 4 -11.824 1.992 -0.391 30 1HG2 THR 4 1HG2 THR 4 -11.713 -0.207 -0.138 31 2HG2 THR 4 2HG2 THR 4 -10.252 -0.871 -0.870 32 3HG2 THR 4 3HG2 THR 4 -11.800 -1.019 -1.701 33 H ALA 5 HN ALA 5 -7.258 2.176 -2.306 34 HA ALA 5 HA ALA 5 -6.553 0.341 -4.271 35 1HB ALA 5 1HB ALA 5 -5.388 2.445 -3.086 36 2HB ALA 5 2HB ALA 5 -4.466 1.291 -4.055 37 3HB ALA 5 3HB ALA 5 -4.473 1.152 -2.293 38 H LYS 6 HN LYS 6 -6.184 -1.843 -4.232 39 HA LYS 6 HA LYS 6 -5.494 -3.105 -1.603 40 1HB LYS 6 2HB LYS 6 -6.618 -5.119 -2.551 41 2HB LYS 6 1HB LYS 6 -7.703 -3.737 -2.396 42 1HG LYS 6 2HG LYS 6 -7.489 -3.231 -4.758 43 2HG LYS 6 1HG LYS 6 -6.248 -4.470 -4.953 44 1HD LYS 6 2HD LYS 6 -8.914 -5.263 -3.836 45 2HD LYS 6 1HD LYS 6 -8.771 -4.990 -5.573 46 1HE LYS 6 2HE LYS 6 -7.187 -6.728 -5.840 47 2HE LYS 6 1HE LYS 6 -6.809 -6.764 -4.105 48 1HZ LYS 6 1HZ LYS 6 -8.982 -7.556 -3.612 49 2HZ LYS 6 2HZ LYS 6 -8.364 -8.550 -4.844 50 3HZ LYS 6 3HZ LYS 6 -9.501 -7.343 -5.212 51 H TYR 7 HN TYR 7 -3.747 -4.440 -1.525 52 HA TYR 7 HA TYR 7 -2.252 -4.951 -4.075 53 1HB TYR 7 2HB TYR 7 -1.286 -4.036 -1.362 54 2HB TYR 7 1HB TYR 7 -0.208 -4.614 -2.622 55 HD1 TYR 7 1HD TYR 7 0.549 -3.194 -4.254 56 HD2 TYR 7 2HD TYR 7 -2.947 -2.173 -2.015 57 HE1 TYR 7 1HE TYR 7 0.537 -0.969 -5.327 58 HE2 TYR 7 2HE TYR 7 -3.004 0.065 -3.066 59 HH TYR 7 HH TYR 7 -2.166 1.123 -5.163 60 H LYS 8 HN LYS 8 -2.253 -7.134 -4.367 61 HA LYS 8 HA LYS 8 -2.202 -9.455 -3.901 62 1HB LYS 8 2HB LYS 8 0.022 -8.266 -3.000 63 2HB LYS 8 1HB LYS 8 -0.600 -8.847 -1.454 64 1HG LYS 8 2HG LYS 8 0.742 -10.630 -2.238 65 2HG LYS 8 1HG LYS 8 -0.903 -11.119 -2.648 66 1HD LYS 8 2HD LYS 8 -0.583 -10.211 -4.936 67 2HD LYS 8 1HD LYS 8 1.081 -9.797 -4.523 68 1HE LYS 8 2HE LYS 8 1.789 -11.965 -4.699 69 2HE LYS 8 1HE LYS 8 0.313 -12.605 -3.949 70 1HZ LYS 8 1HZ LYS 8 -0.900 -12.042 -5.981 71 2HZ LYS 8 2HZ LYS 8 0.348 -13.152 -6.295 72 3HZ LYS 8 3HZ LYS 8 0.546 -11.520 -6.707 73 H GLY 9 HN GLY 9 -4.288 -7.712 -2.457 74 1HA GLY 9 2HA GLY 9 -6.161 -8.623 -1.217 75 2HA GLY 9 1HA GLY 9 -5.065 -9.789 -0.476 76 H ARG 10 HN ARG 10 -4.463 -6.305 -0.743 77 HA ARG 10 HA ARG 10 -4.989 -5.968 2.176 78 1HB ARG 10 2HB ARG 10 -2.387 -5.375 0.725 79 2HB ARG 10 1HB ARG 10 -2.715 -4.980 2.412 80 1HG ARG 10 2HG ARG 10 -3.138 -7.415 2.842 81 2HG ARG 10 1HG ARG 10 -2.627 -7.751 1.187 82 1HD ARG 10 2HD ARG 10 -0.434 -6.597 1.718 83 2HD ARG 10 1HD ARG 10 -0.950 -6.559 3.416 84 HE ARG 10 HE ARG 10 -0.226 -8.973 1.892 85 1HH1 ARG 10 1HH1 ARG 10 0.172 -7.967 4.878 86 2HH1 ARG 10 2HH1 ARG 10 -0.672 -9.236 5.702 87 1HH2 ARG 10 1HH2 ARG 10 -2.182 -10.458 2.829 88 2HH2 ARG 10 2HH2 ARG 10 -2.003 -10.647 4.542 89 H THR 11 HN THR 11 -6.550 -4.344 1.952 90 HA THR 11 HA THR 11 -6.481 -2.326 -0.105 91 HB THR 11 HB THR 11 -7.942 -2.362 2.545 92 HG1 THR 11 1HG THR 11 -8.938 -3.978 1.677 93 1HG2 THR 11 1HG2 THR 11 -9.608 -1.035 1.081 94 2HG2 THR 11 2HG2 THR 11 -8.252 -0.816 -0.029 95 3HG2 THR 11 3HG2 THR 11 -8.153 -0.192 1.617 96 H PHE 12 HN PHE 12 -6.316 0.049 0.355 97 HA PHE 12 HA PHE 12 -4.500 0.688 2.647 98 1HB PHE 12 2HB PHE 12 -4.195 1.208 -0.319 99 2HB PHE 12 1HB PHE 12 -3.427 2.284 0.869 100 HD1 PHE 12 1HD PHE 12 -1.578 1.498 2.274 101 HD2 PHE 12 2HD PHE 12 -3.666 -1.110 -0.428 102 HE1 PHE 12 1HE PHE 12 0.223 -0.211 2.528 103 HE2 PHE 12 2HE PHE 12 -1.895 -2.821 -0.134 104 HZ PHE 12 HZ PHE 12 0.050 -2.373 1.331 105 H ARG 13 HN ARG 13 -5.296 2.342 3.829 106 HA ARG 13 HA ARG 13 -7.154 4.301 2.517 107 1HB ARG 13 2HB ARG 13 -7.320 2.617 4.951 108 2HB ARG 13 1HB ARG 13 -7.847 4.287 5.166 109 1HG ARG 13 2HG ARG 13 -9.433 4.081 3.343 110 2HG ARG 13 1HG ARG 13 -8.829 2.472 2.945 111 1HD ARG 13 2HD ARG 13 -10.893 2.255 4.253 112 2HD ARG 13 1HD ARG 13 -9.526 1.713 5.249 113 HE ARG 13 HE ARG 13 -9.539 3.972 6.312 114 1HH1 ARG 13 1HH2 ARG 13 -11.737 4.235 3.846 115 2HH1 ARG 13 2HH2 ARG 13 -13.053 4.809 4.814 116 1HH2 ARG 13 1HH1 ARG 13 -11.455 4.181 7.829 117 2HH2 ARG 13 2HH1 ARG 13 -12.894 4.778 7.071 118 H ASN 14 HN ASN 14 -4.266 4.512 2.789 119 HA ASN 14 HA ASN 14 -4.085 7.127 4.077 120 1HB ASN 14 2HB ASN 14 -3.928 5.016 5.776 121 2HB ASN 14 1HB ASN 14 -2.234 5.144 5.300 122 1HD2 ASN 14 1HD2 ASN 14 -1.093 7.162 5.824 123 2HD2 ASN 14 2HD2 ASN 14 -1.716 8.243 6.974 124 H GLU 15 HN GLU 15 -2.363 8.242 3.167 125 HA GLU 15 HA GLU 15 -0.951 7.124 0.922 126 1HB GLU 15 2HB GLU 15 -1.607 9.573 1.628 127 2HB GLU 15 1HB GLU 15 -0.043 9.553 2.444 128 1HG GLU 15 2HG GLU 15 0.721 8.548 0.073 129 2HG GLU 15 1HG GLU 15 -0.661 9.500 -0.470 130 H LYS 16 HN LYS 16 0.072 7.855 4.265 131 HA LYS 16 HA LYS 16 2.808 7.292 4.067 132 1HB LYS 16 2HB LYS 16 0.835 7.714 6.073 133 2HB LYS 16 1HB LYS 16 1.753 6.288 6.547 134 1HG LYS 16 2HG LYS 16 3.664 8.168 5.621 135 2HG LYS 16 1HG LYS 16 2.544 9.072 6.637 136 1HD LYS 16 2HD LYS 16 2.851 7.430 8.450 137 2HD LYS 16 1HD LYS 16 3.965 6.515 7.435 138 1HE LYS 16 2HE LYS 16 5.048 9.046 7.297 139 2HE LYS 16 1HE LYS 16 4.445 8.986 8.965 140 1HZ LYS 16 1HZ LYS 16 6.591 7.993 8.965 141 2HZ LYS 16 2HZ LYS 16 6.221 7.023 7.621 142 3HZ LYS 16 3HZ LYS 16 5.466 6.728 9.111 143 H GLU 17 HN GLU 17 0.218 5.052 4.894 144 HA GLU 17 HA GLU 17 1.728 2.668 5.196 145 1HB GLU 17 2HB GLU 17 -1.079 3.271 4.236 146 2HB GLU 17 1HB GLU 17 -0.515 1.622 4.480 147 1HG GLU 17 2HG GLU 17 -0.541 3.797 6.588 148 2HG GLU 17 1HG GLU 17 -1.699 2.474 6.464 149 H LEU 18 HN LEU 18 -0.279 3.406 2.352 150 HA LEU 18 HA LEU 18 0.778 1.479 0.615 151 1HB LEU 18 2HB LEU 18 -1.262 3.036 0.434 152 2HB LEU 18 1HB LEU 18 -0.145 4.233 -0.220 153 HG LEU 18 HG LEU 18 0.540 2.549 -1.946 154 1HD1 LEU 18 1HD1 LEU 18 -0.538 0.662 -0.389 155 2HD1 LEU 18 2HD1 LEU 18 -0.474 0.474 -2.113 156 3HD1 LEU 18 3HD1 LEU 18 -1.959 1.013 -1.355 157 1HD2 LEU 18 1HD2 LEU 18 -2.214 3.686 -1.694 158 2HD2 LEU 18 2HD2 LEU 18 -1.884 2.601 -3.044 159 3HD2 LEU 18 3HD2 LEU 18 -0.942 4.079 -2.852 160 H ARG 19 HN ARG 19 1.908 4.837 1.085 161 HA ARG 19 HA ARG 19 3.902 4.860 -0.956 162 1HB ARG 19 2HB ARG 19 3.538 6.234 1.704 163 2HB ARG 19 1HB ARG 19 4.942 6.570 0.691 164 1HG ARG 19 2HG ARG 19 2.243 6.630 -0.589 165 2HG ARG 19 1HG ARG 19 2.706 7.990 0.434 166 1HD ARG 19 2HD ARG 19 4.543 8.560 -0.944 167 2HD ARG 19 1HD ARG 19 4.564 6.964 -1.721 168 HE ARG 19 HE ARG 19 2.810 9.175 -2.444 169 1HH1 ARG 19 1HH2 ARG 19 3.954 6.271 -3.495 170 2HH1 ARG 19 2HH2 ARG 19 2.475 5.709 -4.200 171 1HH2 ARG 19 1HH1 ARG 19 0.545 8.239 -2.822 172 2HH2 ARG 19 2HH1 ARG 19 0.546 6.823 -3.820 173 H ASP 20 HN ASP 20 3.792 3.213 2.113 174 HA ASP 20 HA ASP 20 6.718 2.677 2.085 175 1HB ASP 20 2HB ASP 20 5.592 3.440 4.154 176 2HB ASP 20 1HB ASP 20 4.508 2.051 4.077 177 H PHE 21 HN PHE 21 3.621 1.143 1.439 178 HA PHE 21 HA PHE 21 4.502 -1.608 1.682 179 1HB PHE 21 2HB PHE 21 2.166 -0.901 1.786 180 2HB PHE 21 1HB PHE 21 2.213 -0.354 0.123 181 HD1 PHE 21 1HD PHE 21 2.116 -1.934 -1.711 182 HD2 PHE 21 2HD PHE 21 2.570 -3.267 2.335 183 HE1 PHE 21 1HE PHE 21 1.708 -4.270 -2.440 184 HE2 PHE 21 2HE PHE 21 2.159 -5.615 1.617 185 HZ PHE 21 HZ PHE 21 1.728 -6.113 -0.776 186 H ILE 22 HN ILE 22 3.413 -0.112 -1.368 187 HA ILE 22 HA ILE 22 4.648 -1.819 -3.186 188 HB ILE 22 HB ILE 22 4.165 1.174 -3.354 189 1HG1 ILE 22 2HG1 ILE 22 2.270 -0.175 -4.857 190 2HG1 ILE 22 1HG1 ILE 22 2.496 -1.248 -3.481 191 1HG2 ILE 22 1HG2 ILE 22 4.089 0.741 -5.818 192 2HG2 ILE 22 2HG2 ILE 22 4.663 -0.898 -5.510 193 3HG2 ILE 22 3HG2 ILE 22 5.695 0.482 -5.131 194 1HD1 ILE 22 1HD1 ILE 22 1.476 0.166 -2.067 195 2HD1 ILE 22 2HD1 ILE 22 0.868 0.965 -3.514 196 3HD1 ILE 22 3HD1 ILE 22 2.320 1.573 -2.719 197 H GLU 23 HN GLU 23 6.042 0.887 -1.418 198 HA GLU 23 HA GLU 23 8.552 1.092 -2.827 199 1HB GLU 23 2HB GLU 23 7.608 2.788 -1.272 200 2HB GLU 23 1HB GLU 23 7.814 1.662 0.068 201 1HG GLU 23 2HG GLU 23 9.858 2.600 0.340 202 2HG GLU 23 1HG GLU 23 10.332 1.685 -1.091 203 H LYS 24 HN LYS 24 7.442 -0.823 -0.052 204 HA LYS 24 HA LYS 24 10.054 -2.108 0.354 205 1HB LYS 24 2HB LYS 24 7.388 -1.947 1.608 206 2HB LYS 24 1HB LYS 24 8.139 -3.536 1.749 207 1HG LYS 24 2HG LYS 24 9.900 -1.204 2.292 208 2HG LYS 24 1HG LYS 24 8.637 -1.519 3.482 209 1HD LYS 24 2HD LYS 24 9.501 -4.027 3.191 210 2HD LYS 24 1HD LYS 24 10.986 -3.201 2.719 211 1HE LYS 24 2HE LYS 24 9.920 -1.912 5.074 212 2HE LYS 24 1HE LYS 24 10.046 -3.657 5.364 213 1HZ LYS 24 1HZ LYS 24 12.161 -2.601 5.806 214 2HZ LYS 24 2HZ LYS 24 12.179 -1.906 4.260 215 3HZ LYS 24 3HZ LYS 24 12.295 -3.593 4.433 216 H PHE 25 HN PHE 25 6.789 -3.235 -0.636 217 HA PHE 25 HA PHE 25 7.873 -5.751 -1.636 218 1HB PHE 25 2HB PHE 25 5.719 -5.583 -0.434 219 2HB PHE 25 1HB PHE 25 5.100 -4.528 -1.704 220 HD1 PHE 25 1HD PHE 25 3.565 -5.631 -3.040 221 HD2 PHE 25 2HD PHE 25 7.063 -7.736 -1.713 222 HE1 PHE 25 1HE PHE 25 2.878 -7.609 -4.372 223 HE2 PHE 25 2HE PHE 25 6.381 -9.715 -3.045 224 HZ PHE 25 HZ PHE 25 4.286 -9.652 -4.373 225 H LYS 26 HN LYS 26 9.151 -3.864 -3.106 226 HA LYS 26 HA LYS 26 7.714 -3.029 -5.486 227 1HB LYS 26 2HB LYS 26 10.469 -2.967 -4.379 228 2HB LYS 26 1HB LYS 26 10.332 -2.829 -6.133 229 1HG LYS 26 2HG LYS 26 8.393 -1.103 -5.430 230 2HG LYS 26 1HG LYS 26 9.423 -0.950 -4.007 231 1HD LYS 26 2HD LYS 26 11.372 -0.529 -5.510 232 2HD LYS 26 1HD LYS 26 10.277 -0.567 -6.892 233 1HE LYS 26 2HE LYS 26 9.815 1.305 -4.555 234 2HE LYS 26 1HE LYS 26 10.806 1.766 -5.954 235 1HZ LYS 26 1HZ LYS 26 8.945 1.070 -7.393 236 2HZ LYS 26 2HZ LYS 26 8.536 2.377 -6.385 237 3HZ LYS 26 3HZ LYS 26 7.993 0.810 -6.013 238 H GLY 27 HN GLY 27 9.384 -5.907 -4.538 239 1HA GLY 27 2HA GLY 27 9.011 -7.991 -5.766 240 2HA GLY 27 1HA GLY 27 8.912 -7.044 -7.252 241 H ARG 28 HN ARG 28 11.366 -6.602 -4.753 242 HA ARG 28 HA ARG 28 13.475 -7.098 -6.782 243 1HB ARG 28 2HB ARG 28 13.128 -5.156 -4.963 244 2HB ARG 28 1HB ARG 28 14.032 -6.292 -3.959 245 1HG ARG 28 2HG ARG 28 15.939 -6.152 -5.272 246 2HG ARG 28 1HG ARG 28 15.035 -5.715 -6.722 247 1HD ARG 28 2HD ARG 28 14.603 -3.650 -4.773 248 2HD ARG 28 1HD ARG 28 16.347 -3.953 -4.890 249 HE ARG 28 HE ARG 28 14.756 -3.664 -7.395 250 1HH1 ARG 28 1HH1 ARG 28 16.093 -1.522 -5.291 251 2HH1 ARG 28 2HH1 ARG 28 17.303 -0.903 -6.363 252 1HH2 ARG 28 1HH2 ARG 28 16.811 -3.352 -8.766 253 2HH2 ARG 28 2HH2 ARG 28 17.712 -1.939 -8.330 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 -11.484 9.312 5.093 2 2H GLU 1 2HT GLU 1 -13.155 9.595 5.208 3 3H GLU 1 3HT GLU 1 -12.186 10.599 4.239 4 HA GLU 1 HA GLU 1 -12.737 7.714 3.745 5 1HB GLU 1 2HB GLU 1 -14.047 10.255 3.121 6 2HB GLU 1 1HB GLU 1 -13.644 9.354 1.659 7 1HG GLU 1 2HG GLU 1 -14.959 7.512 2.276 8 2HG GLU 1 1HG GLU 1 -14.952 7.956 3.982 9 H GLN 2 HN GLN 2 -11.409 6.803 2.193 10 HA GLN 2 HA GLN 2 -9.724 8.522 0.463 11 1HB GLN 2 2HB GLN 2 -8.824 7.693 2.939 12 2HB GLN 2 1HB GLN 2 -8.204 6.427 1.880 13 1HG GLN 2 2HG GLN 2 -6.486 7.984 1.738 14 2HG GLN 2 1HG GLN 2 -7.487 8.479 0.372 15 1HE2 GLN 2 1HE2 GLN 2 -8.112 10.644 0.368 16 2HE2 GLN 2 2HE2 GLN 2 -8.105 11.661 1.726 17 H TYR 3 HN TYR 3 -8.397 7.048 -1.052 18 HA TYR 3 HA TYR 3 -10.036 5.283 -2.483 19 1HB TYR 3 2HB TYR 3 -7.845 4.534 -3.492 20 2HB TYR 3 1HB TYR 3 -8.106 6.275 -3.464 21 HD1 TYR 3 1HD TYR 3 -6.405 7.615 -2.724 22 HD2 TYR 3 2HD TYR 3 -6.643 3.588 -1.239 23 HE1 TYR 3 1HE TYR 3 -4.321 7.956 -1.446 24 HE2 TYR 3 2HE TYR 3 -4.566 3.938 0.028 25 HH TYR 3 HH TYR 3 -2.508 5.484 -0.190 26 H THR 4 HN THR 4 -9.551 2.910 -2.895 27 HA THR 4 HA THR 4 -8.969 1.489 -0.319 28 HB THR 4 HB THR 4 -10.661 -0.199 -1.473 29 HG1 THR 4 1HG THR 4 -11.535 2.282 -2.516 30 1HG2 THR 4 1HG2 THR 4 -11.092 2.245 0.161 31 2HG2 THR 4 2HG2 THR 4 -11.450 0.559 0.537 32 3HG2 THR 4 3HG2 THR 4 -12.533 1.480 -0.508 33 H ALA 5 HN ALA 5 -7.035 2.060 -2.393 34 HA ALA 5 HA ALA 5 -6.543 0.136 -4.352 35 1HB ALA 5 1HB ALA 5 -5.244 2.249 -3.493 36 2HB ALA 5 2HB ALA 5 -4.344 0.934 -4.254 37 3HB ALA 5 3HB ALA 5 -4.380 1.074 -2.492 38 H LYS 6 HN LYS 6 -6.240 -2.060 -4.238 39 HA LYS 6 HA LYS 6 -5.485 -3.241 -1.591 40 1HB LYS 6 2HB LYS 6 -6.588 -5.293 -2.522 41 2HB LYS 6 1HB LYS 6 -7.678 -3.917 -2.371 42 1HG LYS 6 2HG LYS 6 -7.651 -3.491 -4.696 43 2HG LYS 6 1HG LYS 6 -6.202 -4.464 -4.944 44 1HD LYS 6 2HD LYS 6 -7.734 -6.402 -3.985 45 2HD LYS 6 1HD LYS 6 -9.035 -5.353 -4.549 46 1HE LYS 6 2HE LYS 6 -6.769 -5.800 -6.440 47 2HE LYS 6 1HE LYS 6 -7.887 -7.154 -6.180 48 1HZ LYS 6 1HZ LYS 6 -9.737 -5.580 -6.515 49 2HZ LYS 6 2HZ LYS 6 -8.770 -5.743 -7.898 50 3HZ LYS 6 3HZ LYS 6 -8.617 -4.367 -6.913 51 H TYR 7 HN TYR 7 -3.769 -4.644 -1.469 52 HA TYR 7 HA TYR 7 -2.216 -5.164 -3.985 53 1HB TYR 7 2HB TYR 7 -1.319 -4.284 -1.239 54 2HB TYR 7 1HB TYR 7 -0.209 -4.865 -2.477 55 HD1 TYR 7 1HD TYR 7 0.571 -3.449 -4.130 56 HD2 TYR 7 2HD TYR 7 -2.903 -2.371 -1.887 57 HE1 TYR 7 1HE TYR 7 0.612 -1.202 -5.174 58 HE2 TYR 7 2HE TYR 7 -2.900 -0.122 -2.919 59 HH TYR 7 HH TYR 7 -1.533 0.660 -5.587 60 H LYS 8 HN LYS 8 -2.406 -7.349 -4.261 61 HA LYS 8 HA LYS 8 -2.442 -9.672 -3.778 62 1HB LYS 8 2HB LYS 8 -0.440 -8.459 -1.868 63 2HB LYS 8 1HB LYS 8 -0.691 -10.203 -1.950 64 1HG LYS 8 2HG LYS 8 -0.093 -8.519 -4.392 65 2HG LYS 8 1HG LYS 8 1.169 -9.298 -3.437 66 1HD LYS 8 2HD LYS 8 -0.102 -11.482 -3.763 67 2HD LYS 8 1HD LYS 8 -1.086 -10.628 -4.953 68 1HE LYS 8 2HE LYS 8 1.943 -10.693 -5.104 69 2HE LYS 8 1HE LYS 8 0.912 -11.881 -5.926 70 1HZ LYS 8 1HZ LYS 8 0.867 -8.930 -6.252 71 2HZ LYS 8 2HZ LYS 8 -0.342 -9.957 -6.860 72 3HZ LYS 8 3HZ LYS 8 1.252 -10.086 -7.431 73 H GLY 9 HN GLY 9 -4.355 -7.819 -2.229 74 1HA GLY 9 2HA GLY 9 -6.192 -8.703 -0.887 75 2HA GLY 9 1HA GLY 9 -5.055 -9.817 -0.132 76 H ARG 10 HN ARG 10 -4.470 -6.344 -0.616 77 HA ARG 10 HA ARG 10 -4.882 -5.858 2.303 78 1HB ARG 10 2HB ARG 10 -2.345 -5.317 0.722 79 2HB ARG 10 1HB ARG 10 -2.607 -4.864 2.405 80 1HG ARG 10 2HG ARG 10 -3.007 -7.300 2.919 81 2HG ARG 10 1HG ARG 10 -2.513 -7.671 1.266 82 1HD ARG 10 2HD ARG 10 -0.312 -6.624 1.673 83 2HD ARG 10 1HD ARG 10 -0.802 -6.244 3.337 84 HE ARG 10 HE ARG 10 -1.025 -8.693 3.730 85 1HH1 ARG 10 1HH2 ARG 10 -0.884 -9.035 0.582 86 2HH1 ARG 10 2HH2 ARG 10 0.622 -9.882 0.470 87 1HH2 ARG 10 1HH1 ARG 10 1.569 -9.174 3.730 88 2HH2 ARG 10 2HH1 ARG 10 2.011 -9.961 2.251 89 H THR 11 HN THR 11 -6.490 -4.254 2.010 90 HA THR 11 HA THR 11 -6.374 -2.299 -0.124 91 HB THR 11 HB THR 11 -7.958 -2.294 2.457 92 HG1 THR 11 1HG THR 11 -9.337 -3.580 1.450 93 1HG2 THR 11 1HG2 THR 11 -8.365 -0.191 1.619 94 2HG2 THR 11 2HG2 THR 11 -9.525 -1.086 0.635 95 3HG2 THR 11 3HG2 THR 11 -7.949 -0.657 -0.030 96 H PHE 12 HN PHE 12 -6.144 0.060 0.226 97 HA PHE 12 HA PHE 12 -4.469 0.763 2.605 98 1HB PHE 12 2HB PHE 12 -4.067 1.241 -0.355 99 2HB PHE 12 1HB PHE 12 -3.317 2.313 0.846 100 HD1 PHE 12 1HD PHE 12 -1.608 1.464 2.407 101 HD2 PHE 12 2HD PHE 12 -3.484 -1.047 -0.529 102 HE1 PHE 12 1HE PHE 12 0.144 -0.267 2.770 103 HE2 PHE 12 2HE PHE 12 -1.750 -2.783 -0.151 104 HZ PHE 12 HZ PHE 12 0.066 -2.394 1.494 105 H ARG 13 HN ARG 13 -5.452 2.342 3.752 106 HA ARG 13 HA ARG 13 -7.280 4.247 2.328 107 1HB ARG 13 2HB ARG 13 -8.377 4.417 4.570 108 2HB ARG 13 1HB ARG 13 -8.382 2.767 3.950 109 1HG ARG 13 2HG ARG 13 -7.007 2.010 5.597 110 2HG ARG 13 1HG ARG 13 -5.994 3.452 5.545 111 1HD ARG 13 2HD ARG 13 -6.974 4.020 7.522 112 2HD ARG 13 1HD ARG 13 -8.424 4.390 6.568 113 HE ARG 13 HE ARG 13 -9.234 2.121 7.017 114 1HH1 ARG 13 1HH1 ARG 13 -7.901 3.520 9.591 115 2HH1 ARG 13 2HH1 ARG 13 -7.309 2.090 10.368 116 1HH2 ARG 13 1HH2 ARG 13 -7.798 0.061 7.601 117 2HH2 ARG 13 2HH2 ARG 13 -7.251 0.133 9.242 118 H ASN 14 HN ASN 14 -4.344 4.474 2.622 119 HA ASN 14 HA ASN 14 -4.213 7.212 3.630 120 1HB ASN 14 2HB ASN 14 -4.023 5.212 5.507 121 2HB ASN 14 1HB ASN 14 -2.327 5.464 5.093 122 1HD2 ASN 14 1HD2 ASN 14 -1.312 7.348 5.899 123 2HD2 ASN 14 2HD2 ASN 14 -2.121 8.556 6.773 124 H GLU 15 HN GLU 15 -2.317 8.239 2.858 125 HA GLU 15 HA GLU 15 -0.920 6.937 0.667 126 1HB GLU 15 2HB GLU 15 -1.574 9.454 1.227 127 2HB GLU 15 1HB GLU 15 0.025 9.465 1.972 128 1HG GLU 15 2HG GLU 15 1.105 8.939 -0.071 129 2HG GLU 15 1HG GLU 15 -0.403 8.431 -0.832 130 H LYS 16 HN LYS 16 0.090 8.040 3.920 131 HA LYS 16 HA LYS 16 2.808 7.391 3.841 132 1HB LYS 16 2HB LYS 16 0.682 7.447 5.948 133 2HB LYS 16 1HB LYS 16 2.310 6.921 6.381 134 1HG LYS 16 2HG LYS 16 2.007 9.443 4.795 135 2HG LYS 16 1HG LYS 16 1.637 9.485 6.520 136 1HD LYS 16 2HD LYS 16 3.844 8.665 7.080 137 2HD LYS 16 1HD LYS 16 4.220 8.389 5.379 138 1HE LYS 16 2HE LYS 16 3.359 11.152 6.011 139 2HE LYS 16 1HE LYS 16 4.916 10.669 6.713 140 1HZ LYS 16 1HZ LYS 16 5.593 9.832 4.548 141 2HZ LYS 16 2HZ LYS 16 5.206 11.483 4.450 142 3HZ LYS 16 3HZ LYS 16 4.115 10.316 3.872 143 H GLU 17 HN GLU 17 0.109 5.312 4.696 144 HA GLU 17 HA GLU 17 1.533 2.952 5.408 145 1HB GLU 17 2HB GLU 17 -1.175 3.394 4.113 146 2HB GLU 17 1HB GLU 17 -0.653 1.850 4.779 147 1HG GLU 17 2HG GLU 17 -0.858 4.445 6.326 148 2HG GLU 17 1HG GLU 17 -2.026 3.125 6.382 149 H LEU 18 HN LEU 18 -0.248 3.404 2.364 150 HA LEU 18 HA LEU 18 0.810 1.249 0.949 151 1HB LEU 18 2HB LEU 18 -1.131 2.743 0.377 152 2HB LEU 18 1HB LEU 18 0.032 3.945 -0.186 153 HG LEU 18 HG LEU 18 0.975 2.153 -1.709 154 1HD1 LEU 18 1HD1 LEU 18 -0.332 0.362 -0.267 155 2HD1 LEU 18 2HD1 LEU 18 -0.111 0.114 -1.991 156 3HD1 LEU 18 3HD1 LEU 18 -1.641 0.735 -1.376 157 1HD2 LEU 18 1HD2 LEU 18 -1.948 2.766 -2.204 158 2HD2 LEU 18 2HD2 LEU 18 -0.679 2.537 -3.408 159 3HD2 LEU 18 3HD2 LEU 18 -0.672 3.972 -2.382 160 H ARG 19 HN ARG 19 2.051 4.634 0.784 161 HA ARG 19 HA ARG 19 4.139 4.159 -1.062 162 1HB ARG 19 2HB ARG 19 3.876 6.004 1.334 163 2HB ARG 19 1HB ARG 19 5.221 6.116 0.201 164 1HG ARG 19 2HG ARG 19 2.645 5.979 -1.179 165 2HG ARG 19 1HG ARG 19 2.728 7.350 -0.073 166 1HD ARG 19 2HD ARG 19 4.437 8.377 -1.257 167 2HD ARG 19 1HD ARG 19 5.095 6.836 -1.843 168 HE ARG 19 HE ARG 19 3.443 6.822 -3.574 169 1HH1 ARG 19 1HH1 ARG 19 3.998 9.892 -2.991 170 2HH1 ARG 19 2HH1 ARG 19 2.387 10.497 -3.184 171 1HH2 ARG 19 1HH2 ARG 19 0.913 7.360 -3.088 172 2HH2 ARG 19 2HH2 ARG 19 0.640 9.063 -3.239 173 H ASP 20 HN ASP 20 4.020 3.525 2.428 174 HA ASP 20 HA ASP 20 6.825 2.763 2.694 175 1HB ASP 20 2HB ASP 20 4.295 2.703 4.280 176 2HB ASP 20 1HB ASP 20 5.548 1.559 4.761 177 H PHE 21 HN PHE 21 3.751 1.141 2.113 178 HA PHE 21 HA PHE 21 4.643 -1.609 2.143 179 1HB PHE 21 2HB PHE 21 2.302 -0.957 2.277 180 2HB PHE 21 1HB PHE 21 2.386 -0.129 0.737 181 HD1 PHE 21 1HD PHE 21 2.185 -1.307 -1.347 182 HD2 PHE 21 2HD PHE 21 2.690 -3.400 2.373 183 HE1 PHE 21 1HE PHE 21 1.711 -3.472 -2.485 184 HE2 PHE 21 2HE PHE 21 2.195 -5.562 1.238 185 HZ PHE 21 HZ PHE 21 1.709 -5.592 -1.197 186 H ILE 22 HN ILE 22 3.754 0.466 -0.556 187 HA ILE 22 HA ILE 22 4.582 -0.995 -2.774 188 HB ILE 22 HB ILE 22 4.720 1.989 -2.217 189 1HG1 ILE 22 2HG1 ILE 22 2.498 0.861 -1.868 190 2HG1 ILE 22 1HG1 ILE 22 2.476 2.029 -3.185 191 1HG2 ILE 22 1HG2 ILE 22 4.580 2.276 -4.651 192 2HG2 ILE 22 2HG2 ILE 22 4.597 0.525 -4.868 193 3HG2 ILE 22 3HG2 ILE 22 6.023 1.350 -4.235 194 1HD1 ILE 22 1HD1 ILE 22 1.882 -0.775 -3.241 195 2HD1 ILE 22 2HD1 ILE 22 3.246 -0.457 -4.305 196 3HD1 ILE 22 3HD1 ILE 22 1.730 0.409 -4.536 197 H GLU 23 HN GLU 23 6.552 0.895 -0.547 198 HA GLU 23 HA GLU 23 8.991 0.988 -2.068 199 1HB GLU 23 2HB GLU 23 8.006 1.795 0.457 200 2HB GLU 23 1HB GLU 23 9.381 0.751 0.810 201 1HG GLU 23 2HG GLU 23 9.453 3.073 -1.139 202 2HG GLU 23 1HG GLU 23 10.031 3.148 0.526 203 H LYS 24 HN LYS 24 7.658 -1.404 0.190 204 HA LYS 24 HA LYS 24 10.008 -3.156 0.010 205 1HB LYS 24 2HB LYS 24 7.850 -2.745 1.742 206 2HB LYS 24 1HB LYS 24 7.493 -4.302 0.997 207 1HG LYS 24 2HG LYS 24 8.863 -5.077 2.662 208 2HG LYS 24 1HG LYS 24 10.125 -4.649 1.507 209 1HD LYS 24 2HD LYS 24 10.791 -2.812 2.705 210 2HD LYS 24 1HD LYS 24 9.156 -2.458 3.267 211 1HE LYS 24 2HE LYS 24 9.284 -4.035 5.021 212 2HE LYS 24 1HE LYS 24 10.647 -4.890 4.270 213 1HZ LYS 24 1HZ LYS 24 10.654 -2.156 5.429 214 2HZ LYS 24 2HZ LYS 24 11.917 -2.767 4.476 215 3HZ LYS 24 3HZ LYS 24 11.543 -3.502 5.961 216 H PHE 25 HN PHE 25 6.603 -3.294 -1.087 217 HA PHE 25 HA PHE 25 7.159 -5.591 -2.805 218 1HB PHE 25 2HB PHE 25 5.086 -5.299 -1.424 219 2HB PHE 25 1HB PHE 25 4.660 -3.920 -2.439 220 HD1 PHE 25 1HD PHE 25 3.050 -4.408 -4.028 221 HD2 PHE 25 2HD PHE 25 5.976 -7.385 -3.041 222 HE1 PHE 25 1HE PHE 25 2.052 -5.940 -5.706 223 HE2 PHE 25 2HE PHE 25 4.982 -8.922 -4.718 224 HZ PHE 25 HZ PHE 25 3.018 -8.199 -6.050 225 H LYS 26 HN LYS 26 8.782 -3.737 -3.796 226 HA LYS 26 HA LYS 26 7.813 -1.738 -5.540 227 1HB LYS 26 2HB LYS 26 10.253 -3.501 -5.472 228 2HB LYS 26 1HB LYS 26 10.054 -2.284 -6.734 229 1HG LYS 26 2HG LYS 26 9.680 -1.523 -3.848 230 2HG LYS 26 1HG LYS 26 11.305 -1.632 -4.526 231 1HD LYS 26 2HD LYS 26 9.223 -0.119 -6.056 232 2HD LYS 26 1HD LYS 26 9.950 0.645 -4.641 233 1HE LYS 26 2HE LYS 26 11.985 0.892 -5.667 234 2HE LYS 26 1HE LYS 26 11.856 -0.664 -6.510 235 1HZ LYS 26 1HZ LYS 26 11.614 1.165 -8.071 236 2HZ LYS 26 2HZ LYS 26 10.324 1.798 -7.164 237 3HZ LYS 26 3HZ LYS 26 10.156 0.303 -7.945 238 H GLY 27 HN GLY 27 7.718 -5.175 -5.917 239 1HA GLY 27 2HA GLY 27 7.704 -5.480 -8.721 240 2HA GLY 27 1HA GLY 27 6.816 -6.525 -7.612 241 H ARG 28 HN ARG 28 4.651 -5.717 -6.893 242 HA ARG 28 HA ARG 28 3.370 -3.985 -8.987 243 1HB ARG 28 2HB ARG 28 2.462 -6.523 -7.603 244 2HB ARG 28 1HB ARG 28 1.373 -5.510 -8.550 245 1HG ARG 28 2HG ARG 28 3.972 -6.378 -9.770 246 2HG ARG 28 1HG ARG 28 2.637 -7.528 -9.696 247 1HD ARG 28 2HD ARG 28 1.835 -4.847 -10.641 248 2HD ARG 28 1HD ARG 28 2.968 -5.691 -11.715 249 HE ARG 28 HE ARG 28 1.180 -7.674 -11.057 250 1HH1 ARG 28 1HH2 ARG 28 1.219 -6.542 -13.810 251 2HH1 ARG 28 2HH2 ARG 28 -0.389 -5.923 -13.982 252 1HH2 ARG 28 1HH1 ARG 28 -1.056 -5.970 -10.580 253 2HH2 ARG 28 2HH1 ARG 28 -1.677 -5.597 -12.154 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 -11.398 12.342 1.311 2 2H GLU 1 2HT GLU 1 -12.614 12.564 0.145 3 3H GLU 1 3HT GLU 1 -11.068 12.042 -0.325 4 HA GLU 1 HA GLU 1 -12.913 10.481 1.413 5 1HB GLU 1 2HB GLU 1 -12.364 10.623 -1.549 6 2HB GLU 1 1HB GLU 1 -12.944 9.124 -0.821 7 1HG GLU 1 2HG GLU 1 -14.674 10.885 0.302 8 2HG GLU 1 1HG GLU 1 -14.362 11.699 -1.232 9 H GLN 2 HN GLN 2 -12.111 8.027 0.760 10 HA GLN 2 HA GLN 2 -9.123 7.971 1.014 11 1HB GLN 2 2HB GLN 2 -10.203 7.753 3.211 12 2HB GLN 2 1HB GLN 2 -11.218 6.448 2.602 13 1HG GLN 2 2HG GLN 2 -8.448 5.835 2.041 14 2HG GLN 2 1HG GLN 2 -8.624 6.235 3.750 15 1HE2 GLN 2 1HE2 GLN 2 -10.335 4.984 4.974 16 2HE2 GLN 2 2HE2 GLN 2 -10.722 3.414 4.459 17 H TYR 3 HN TYR 3 -8.630 7.067 -0.985 18 HA TYR 3 HA TYR 3 -10.112 5.322 -2.566 19 1HB TYR 3 2HB TYR 3 -7.812 4.610 -3.413 20 2HB TYR 3 1HB TYR 3 -8.158 6.336 -3.418 21 HD1 TYR 3 1HD TYR 3 -6.556 7.739 -2.625 22 HD2 TYR 3 2HD TYR 3 -6.767 3.755 -1.018 23 HE1 TYR 3 1HE TYR 3 -4.600 8.207 -1.200 24 HE2 TYR 3 2HE TYR 3 -4.819 4.240 0.407 25 HH TYR 3 HH TYR 3 -2.881 5.772 0.422 26 H THR 4 HN THR 4 -9.515 2.976 -3.057 27 HA THR 4 HA THR 4 -9.178 1.441 -0.500 28 HB THR 4 HB THR 4 -10.803 0.635 -2.924 29 HG1 THR 4 1HG THR 4 -12.482 1.703 -2.111 30 1HG2 THR 4 1HG2 THR 4 -11.188 -0.112 -0.024 31 2HG2 THR 4 2HG2 THR 4 -10.102 -1.013 -1.082 32 3HG2 THR 4 3HG2 THR 4 -11.824 -0.925 -1.454 33 H ALA 5 HN ALA 5 -6.976 2.134 -2.213 34 HA ALA 5 HA ALA 5 -6.245 0.353 -4.243 35 1HB ALA 5 1HB ALA 5 -5.067 2.399 -3.033 36 2HB ALA 5 2HB ALA 5 -4.115 1.188 -3.894 37 3HB ALA 5 3HB ALA 5 -4.262 1.104 -2.136 38 H LYS 6 HN LYS 6 -6.101 -1.839 -4.218 39 HA LYS 6 HA LYS 6 -5.474 -3.199 -1.624 40 1HB LYS 6 2HB LYS 6 -6.667 -5.138 -2.679 41 2HB LYS 6 1HB LYS 6 -7.687 -3.717 -2.464 42 1HG LYS 6 2HG LYS 6 -7.620 -3.173 -4.755 43 2HG LYS 6 1HG LYS 6 -6.204 -4.180 -5.046 44 1HD LYS 6 2HD LYS 6 -8.555 -5.627 -3.981 45 2HD LYS 6 1HD LYS 6 -8.770 -4.955 -5.596 46 1HE LYS 6 2HE LYS 6 -6.190 -6.096 -5.630 47 2HE LYS 6 1HE LYS 6 -7.218 -7.275 -4.792 48 1HZ LYS 6 1HZ LYS 6 -8.825 -7.132 -6.553 49 2HZ LYS 6 2HZ LYS 6 -7.313 -7.498 -7.234 50 3HZ LYS 6 3HZ LYS 6 -7.935 -5.921 -7.338 51 H TYR 7 HN TYR 7 -3.844 -4.713 -1.567 52 HA TYR 7 HA TYR 7 -2.294 -5.184 -4.092 53 1HB TYR 7 2HB TYR 7 -1.361 -4.428 -1.316 54 2HB TYR 7 1HB TYR 7 -0.275 -4.972 -2.595 55 HD1 TYR 7 1HD TYR 7 0.397 -3.543 -4.324 56 HD2 TYR 7 2HD TYR 7 -2.807 -2.401 -1.731 57 HE1 TYR 7 1HE TYR 7 0.449 -1.260 -5.281 58 HE2 TYR 7 2HE TYR 7 -2.788 -0.112 -2.681 59 HH TYR 7 HH TYR 7 -2.065 0.985 -4.793 60 H LYS 8 HN LYS 8 -2.567 -7.344 -4.440 61 HA LYS 8 HA LYS 8 -2.662 -9.677 -4.046 62 1HB LYS 8 2HB LYS 8 -0.324 -8.637 -3.152 63 2HB LYS 8 1HB LYS 8 -0.925 -9.353 -1.655 64 1HG LYS 8 2HG LYS 8 0.289 -11.109 -2.663 65 2HG LYS 8 1HG LYS 8 -1.386 -11.461 -3.089 66 1HD LYS 8 2HD LYS 8 -0.955 -10.118 -5.236 67 2HD LYS 8 1HD LYS 8 0.758 -10.233 -4.826 68 1HE LYS 8 2HE LYS 8 0.565 -12.165 -6.095 69 2HE LYS 8 1HE LYS 8 0.075 -12.830 -4.523 70 1HZ LYS 8 1HZ LYS 8 -2.220 -12.279 -5.040 71 2HZ LYS 8 2HZ LYS 8 -1.582 -13.316 -6.225 72 3HZ LYS 8 3HZ LYS 8 -1.757 -11.657 -6.549 73 H GLY 9 HN GLY 9 -4.519 -7.805 -2.417 74 1HA GLY 9 2HA GLY 9 -6.404 -8.704 -1.146 75 2HA GLY 9 1HA GLY 9 -5.307 -9.878 -0.425 76 H ARG 10 HN ARG 10 -4.567 -6.426 -0.746 77 HA ARG 10 HA ARG 10 -5.061 -6.035 2.174 78 1HB ARG 10 2HB ARG 10 -2.449 -5.542 0.701 79 2HB ARG 10 1HB ARG 10 -2.754 -5.142 2.392 80 1HG ARG 10 2HG ARG 10 -3.294 -7.584 2.779 81 2HG ARG 10 1HG ARG 10 -2.713 -7.901 1.143 82 1HD ARG 10 2HD ARG 10 -0.514 -6.904 1.750 83 2HD ARG 10 1HD ARG 10 -1.100 -6.681 3.408 84 HE ARG 10 HE ARG 10 -1.635 -9.286 3.090 85 1HH1 ARG 10 1HH2 ARG 10 0.668 -8.288 0.950 86 2HH1 ARG 10 2HH2 ARG 10 1.971 -9.225 1.600 87 1HH2 ARG 10 1HH1 ARG 10 0.236 -10.149 4.455 88 2HH2 ARG 10 2HH1 ARG 10 1.727 -10.279 3.582 89 H THR 11 HN THR 11 -6.551 -4.343 1.959 90 HA THR 11 HA THR 11 -6.342 -2.318 -0.105 91 HB THR 11 HB THR 11 -7.942 -2.398 2.466 92 HG1 THR 11 1HG THR 11 -8.681 -4.065 1.359 93 1HG2 THR 11 1HG2 THR 11 -8.159 -0.194 1.750 94 2HG2 THR 11 2HG2 THR 11 -9.466 -0.960 0.846 95 3HG2 THR 11 3HG2 THR 11 -7.927 -0.613 0.053 96 H PHE 12 HN PHE 12 -6.083 0.035 0.403 97 HA PHE 12 HA PHE 12 -4.364 0.553 2.801 98 1HB PHE 12 2HB PHE 12 -3.938 1.170 -0.128 99 2HB PHE 12 1HB PHE 12 -3.162 2.157 1.123 100 HD1 PHE 12 1HD PHE 12 -1.396 1.235 2.544 101 HD2 PHE 12 2HD PHE 12 -3.467 -1.176 -0.340 102 HE1 PHE 12 1HE PHE 12 0.315 -0.551 2.810 103 HE2 PHE 12 2HE PHE 12 -1.772 -2.978 -0.056 104 HZ PHE 12 HZ PHE 12 0.121 -2.657 1.515 105 H ARG 13 HN ARG 13 -5.181 2.202 3.994 106 HA ARG 13 HA ARG 13 -7.055 4.138 2.674 107 1HB ARG 13 2HB ARG 13 -8.074 4.275 4.948 108 2HB ARG 13 1HB ARG 13 -8.100 2.633 4.308 109 1HG ARG 13 2HG ARG 13 -6.620 1.857 5.869 110 2HG ARG 13 1HG ARG 13 -5.685 3.353 5.878 111 1HD ARG 13 2HD ARG 13 -7.834 4.359 7.032 112 2HD ARG 13 1HD ARG 13 -8.158 2.663 7.443 113 HE ARG 13 HE ARG 13 -5.502 3.899 8.037 114 1HH1 ARG 13 1HH1 ARG 13 -7.919 4.134 9.973 115 2HH1 ARG 13 2HH1 ARG 13 -7.543 2.860 11.084 116 1HH2 ARG 13 1HH2 ARG 13 -5.177 1.396 9.017 117 2HH2 ARG 13 2HH2 ARG 13 -5.991 1.310 10.543 118 H ASN 14 HN ASN 14 -4.181 4.490 2.716 119 HA ASN 14 HA ASN 14 -3.988 7.173 3.780 120 1HB ASN 14 2HB ASN 14 -3.917 5.490 5.799 121 2HB ASN 14 1HB ASN 14 -2.266 5.191 5.258 122 1HD2 ASN 14 1HD2 ASN 14 -0.687 6.845 5.616 123 2HD2 ASN 14 2HD2 ASN 14 -1.033 8.282 6.451 124 H GLU 15 HN GLU 15 -2.423 8.162 2.576 125 HA GLU 15 HA GLU 15 -0.905 6.831 0.572 126 1HB GLU 15 2HB GLU 15 -1.596 9.340 1.025 127 2HB GLU 15 1HB GLU 15 -0.021 9.418 1.816 128 1HG GLU 15 2HG GLU 15 0.916 8.352 -0.334 129 2HG GLU 15 1HG GLU 15 -0.632 8.771 -1.069 130 H LYS 16 HN LYS 16 0.144 8.057 3.767 131 HA LYS 16 HA LYS 16 2.864 7.423 3.668 132 1HB LYS 16 2HB LYS 16 1.099 8.420 5.483 133 2HB LYS 16 1HB LYS 16 1.455 6.850 6.199 134 1HG LYS 16 2HG LYS 16 3.377 7.706 7.009 135 2HG LYS 16 1HG LYS 16 3.951 7.888 5.352 136 1HD LYS 16 2HD LYS 16 3.103 10.126 5.209 137 2HD LYS 16 1HD LYS 16 2.194 9.946 6.709 138 1HE LYS 16 2HE LYS 16 4.014 10.942 7.677 139 2HE LYS 16 1HE LYS 16 4.776 9.348 7.516 140 1HZ LYS 16 1HZ LYS 16 6.100 11.076 6.434 141 2HZ LYS 16 2HZ LYS 16 4.781 11.476 5.440 142 3HZ LYS 16 3HZ LYS 16 5.519 9.952 5.304 143 H GLU 17 HN GLU 17 0.188 5.359 4.618 144 HA GLU 17 HA GLU 17 1.651 3.036 5.398 145 1HB GLU 17 2HB GLU 17 -1.102 3.761 4.556 146 2HB GLU 17 1HB GLU 17 -0.693 2.057 4.399 147 1HG GLU 17 2HG GLU 17 -0.378 3.703 6.923 148 2HG GLU 17 1HG GLU 17 -1.678 2.555 6.601 149 H LEU 18 HN LEU 18 -0.270 3.270 2.413 150 HA LEU 18 HA LEU 18 0.869 1.104 1.079 151 1HB LEU 18 2HB LEU 18 -1.200 2.261 0.439 152 2HB LEU 18 1HB LEU 18 -0.272 3.679 -0.041 153 HG LEU 18 HG LEU 18 0.868 2.365 -1.781 154 1HD1 LEU 18 1HD1 LEU 18 0.680 0.163 -0.519 155 2HD1 LEU 18 2HD1 LEU 18 0.315 0.072 -2.230 156 3HD1 LEU 18 3HD1 LEU 18 -0.994 0.090 -1.052 157 1HD2 LEU 18 1HD2 LEU 18 -1.993 1.664 -2.232 158 2HD2 LEU 18 2HD2 LEU 18 -0.870 2.529 -3.280 159 3HD2 LEU 18 3HD2 LEU 18 -1.624 3.359 -1.919 160 H ARG 19 HN ARG 19 1.907 4.549 0.808 161 HA ARG 19 HA ARG 19 3.906 4.187 -1.167 162 1HB ARG 19 2HB ARG 19 3.598 6.019 1.221 163 2HB ARG 19 1HB ARG 19 4.978 6.165 0.134 164 1HG ARG 19 2HG ARG 19 3.055 6.089 -1.716 165 2HG ARG 19 1HG ARG 19 2.094 6.730 -0.384 166 1HD ARG 19 2HD ARG 19 2.999 8.649 -1.510 167 2HD ARG 19 1HD ARG 19 4.000 8.443 -0.059 168 HE ARG 19 HE ARG 19 5.641 7.220 -1.512 169 1HH1 ARG 19 1HH2 ARG 19 5.130 10.164 -2.394 170 2HH1 ARG 19 2HH2 ARG 19 5.132 9.965 -4.114 171 1HH2 ARG 19 1HH1 ARG 19 4.815 6.513 -3.980 172 2HH2 ARG 19 2HH1 ARG 19 4.955 7.896 -5.013 173 H ASP 20 HN ASP 20 3.972 3.493 2.301 174 HA ASP 20 HA ASP 20 6.821 2.857 2.434 175 1HB ASP 20 2HB ASP 20 4.386 2.770 4.137 176 2HB ASP 20 1HB ASP 20 5.605 1.553 4.522 177 H PHE 21 HN PHE 21 3.780 1.112 2.016 178 HA PHE 21 HA PHE 21 4.768 -1.599 1.942 179 1HB PHE 21 2HB PHE 21 2.413 -1.032 2.183 180 2HB PHE 21 1HB PHE 21 2.404 -0.172 0.660 181 HD1 PHE 21 1HD PHE 21 2.112 -1.309 -1.428 182 HD2 PHE 21 2HD PHE 21 2.914 -3.468 2.201 183 HE1 PHE 21 1HE PHE 21 1.645 -3.461 -2.592 184 HE2 PHE 21 2HE PHE 21 2.430 -5.620 1.041 185 HZ PHE 21 HZ PHE 21 1.799 -5.610 -1.361 186 H ILE 22 HN ILE 22 3.687 0.478 -0.683 187 HA ILE 22 HA ILE 22 4.478 -0.905 -2.964 188 HB ILE 22 HB ILE 22 4.522 2.071 -2.342 189 1HG1 ILE 22 2HG1 ILE 22 2.360 0.860 -1.928 190 2HG1 ILE 22 1HG1 ILE 22 2.240 2.044 -3.225 191 1HG2 ILE 22 1HG2 ILE 22 4.271 2.412 -4.756 192 2HG2 ILE 22 2HG2 ILE 22 4.336 0.669 -5.019 193 3HG2 ILE 22 3HG2 ILE 22 5.761 1.525 -4.428 194 1HD1 ILE 22 1HD1 ILE 22 1.769 -0.790 -3.302 195 2HD1 ILE 22 2HD1 ILE 22 3.058 -0.379 -4.429 196 3HD1 ILE 22 3HD1 ILE 22 1.488 0.412 -4.559 197 H GLU 23 HN GLU 23 6.458 1.012 -0.772 198 HA GLU 23 HA GLU 23 8.835 1.139 -2.435 199 1HB GLU 23 2HB GLU 23 7.974 1.765 0.333 200 2HB GLU 23 1HB GLU 23 9.696 1.433 0.143 201 1HG GLU 23 2HG GLU 23 9.932 3.166 -1.507 202 2HG GLU 23 1HG GLU 23 8.185 3.377 -1.620 203 H LYS 24 HN LYS 24 7.953 -0.880 0.392 204 HA LYS 24 HA LYS 24 10.307 -2.566 0.206 205 1HB LYS 24 2HB LYS 24 8.027 -2.153 1.906 206 2HB LYS 24 1HB LYS 24 8.105 -3.869 1.515 207 1HG LYS 24 2HG LYS 24 9.492 -3.731 3.394 208 2HG LYS 24 1HG LYS 24 10.653 -3.613 2.071 209 1HD LYS 24 2HD LYS 24 10.505 -1.116 2.235 210 2HD LYS 24 1HD LYS 24 9.476 -1.310 3.655 211 1HE LYS 24 2HE LYS 24 11.225 -1.995 4.996 212 2HE LYS 24 1HE LYS 24 12.076 -2.787 3.655 213 1HZ LYS 24 1HZ LYS 24 11.710 0.151 3.871 214 2HZ LYS 24 2HZ LYS 24 12.674 -0.685 2.749 215 3HZ LYS 24 3HZ LYS 24 13.108 -0.656 4.391 216 H PHE 25 HN PHE 25 6.860 -3.182 -0.550 217 HA PHE 25 HA PHE 25 7.561 -5.567 -2.090 218 1HB PHE 25 2HB PHE 25 5.617 -5.334 -0.478 219 2HB PHE 25 1HB PHE 25 4.876 -4.244 -1.651 220 HD1 PHE 25 1HD PHE 25 3.254 -5.242 -2.964 221 HD2 PHE 25 2HD PHE 25 6.692 -7.533 -1.795 222 HE1 PHE 25 1HE PHE 25 2.389 -7.188 -4.238 223 HE2 PHE 25 2HE PHE 25 5.828 -9.481 -3.066 224 HZ PHE 25 HZ PHE 25 3.677 -9.308 -4.288 225 H LYS 26 HN LYS 26 8.798 -3.761 -3.514 226 HA LYS 26 HA LYS 26 7.406 -2.036 -5.269 227 1HB LYS 26 2HB LYS 26 10.007 -3.479 -5.205 228 2HB LYS 26 1HB LYS 26 9.522 -2.781 -6.750 229 1HG LYS 26 2HG LYS 26 9.684 -0.622 -5.988 230 2HG LYS 26 1HG LYS 26 9.197 -1.054 -4.350 231 1HD LYS 26 2HD LYS 26 11.348 -1.140 -3.693 232 2HD LYS 26 1HD LYS 26 11.708 -2.339 -4.933 233 1HE LYS 26 2HE LYS 26 11.511 0.600 -5.625 234 2HE LYS 26 1HE LYS 26 13.028 -0.118 -5.050 235 1HZ LYS 26 1HZ LYS 26 12.790 -1.841 -6.756 236 2HZ LYS 26 2HZ LYS 26 12.900 -0.293 -7.446 237 3HZ LYS 26 3HZ LYS 26 11.396 -1.070 -7.345 238 H GLY 27 HN GLY 27 7.615 -5.491 -5.300 239 1HA GLY 27 2HA GLY 27 5.788 -6.615 -6.626 240 2HA GLY 27 1HA GLY 27 6.231 -5.538 -7.952 241 H ARG 28 HN ARG 28 8.876 -5.655 -8.173 242 HA ARG 28 HA ARG 28 9.415 -8.244 -9.313 243 1HB ARG 28 2HB ARG 28 10.732 -5.636 -8.911 244 2HB ARG 28 1HB ARG 28 11.855 -6.993 -8.978 245 1HG ARG 28 2HG ARG 28 11.597 -6.298 -11.238 246 2HG ARG 28 1HG ARG 28 10.586 -7.736 -11.083 247 1HD ARG 28 2HD ARG 28 8.966 -6.395 -12.000 248 2HD ARG 28 1HD ARG 28 8.826 -5.743 -10.354 249 HE ARG 28 HE ARG 28 10.857 -4.566 -12.189 250 1HH1 ARG 28 1HH2 ARG 28 9.681 -3.694 -9.381 251 2HH1 ARG 28 2HH2 ARG 28 8.830 -2.268 -9.873 252 1HH2 ARG 28 1HH1 ARG 28 9.015 -3.004 -13.256 253 2HH2 ARG 28 2HH1 ARG 28 8.454 -1.878 -12.066 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 -12.243 9.552 5.190 2 2H GLU 1 2HT GLU 1 -13.386 8.590 5.998 3 3H GLU 1 3HT GLU 1 -13.738 9.220 4.460 4 HA GLU 1 HA GLU 1 -11.792 7.085 5.147 5 1HB GLU 1 2HB GLU 1 -14.527 7.234 4.380 6 2HB GLU 1 1HB GLU 1 -13.650 6.653 2.966 7 1HG GLU 1 2HG GLU 1 -12.460 5.124 4.818 8 2HG GLU 1 1HG GLU 1 -14.004 5.371 5.635 9 H GLN 2 HN GLN 2 -10.380 6.442 3.433 10 HA GLN 2 HA GLN 2 -9.980 8.521 1.310 11 1HB GLN 2 2HB GLN 2 -8.263 7.047 3.185 12 2HB GLN 2 1HB GLN 2 -7.660 7.003 1.528 13 1HG GLN 2 2HG GLN 2 -6.719 8.964 2.547 14 2HG GLN 2 1HG GLN 2 -7.989 9.522 1.457 15 1HE2 GLN 2 1HE2 GLN 2 -8.098 11.494 2.890 16 2HE2 GLN 2 2HE2 GLN 2 -8.978 11.411 4.339 17 H TYR 3 HN TYR 3 -8.471 7.247 -0.500 18 HA TYR 3 HA TYR 3 -10.185 5.701 -2.065 19 1HB TYR 3 2HB TYR 3 -8.029 5.010 -3.217 20 2HB TYR 3 1HB TYR 3 -8.273 6.741 -3.003 21 HD1 TYR 3 1HD TYR 3 -6.566 8.003 -2.128 22 HD2 TYR 3 2HD TYR 3 -6.762 3.823 -1.172 23 HE1 TYR 3 1HE TYR 3 -4.449 8.192 -0.874 24 HE2 TYR 3 2HE TYR 3 -4.643 4.018 0.081 25 HH TYR 3 HH TYR 3 -2.577 6.653 -0.182 26 H THR 4 HN THR 4 -10.312 3.450 -2.556 27 HA THR 4 HA THR 4 -9.573 1.669 -0.266 28 HB THR 4 HB THR 4 -11.552 1.172 -2.504 29 HG1 THR 4 1HG THR 4 -12.529 2.840 -1.671 30 1HG2 THR 4 1HG2 THR 4 -11.075 0.055 0.256 31 2HG2 THR 4 2HG2 THR 4 -11.164 -0.811 -1.277 32 3HG2 THR 4 3HG2 THR 4 -12.627 -0.136 -0.558 33 H ALA 5 HN ALA 5 -7.427 2.117 -1.853 34 HA ALA 5 HA ALA 5 -7.057 0.612 -4.210 35 1HB ALA 5 1HB ALA 5 -5.576 2.259 -2.561 36 2HB ALA 5 2HB ALA 5 -4.928 1.396 -3.955 37 3HB ALA 5 3HB ALA 5 -4.774 0.696 -2.338 38 H LYS 6 HN LYS 6 -4.942 -1.061 -3.730 39 HA LYS 6 HA LYS 6 -5.108 -2.964 -1.674 40 1HB LYS 6 2HB LYS 6 -7.300 -3.160 -3.410 41 2HB LYS 6 1HB LYS 6 -6.209 -4.448 -3.920 42 1HG LYS 6 2HG LYS 6 -6.046 -4.871 -1.306 43 2HG LYS 6 1HG LYS 6 -7.624 -4.085 -1.315 44 1HD LYS 6 2HD LYS 6 -8.244 -5.717 -3.201 45 2HD LYS 6 1HD LYS 6 -6.792 -6.610 -2.748 46 1HE LYS 6 2HE LYS 6 -7.638 -7.157 -0.618 47 2HE LYS 6 1HE LYS 6 -8.837 -5.849 -0.659 48 1HZ LYS 6 1HZ LYS 6 -9.903 -7.943 -1.168 49 2HZ LYS 6 2HZ LYS 6 -8.792 -8.246 -2.419 50 3HZ LYS 6 3HZ LYS 6 -9.892 -6.961 -2.555 51 H TYR 7 HN TYR 7 -3.573 -4.619 -2.007 52 HA TYR 7 HA TYR 7 -2.029 -4.531 -4.564 53 1HB TYR 7 2HB TYR 7 -1.166 -3.797 -1.771 54 2HB TYR 7 1HB TYR 7 0.014 -4.425 -2.913 55 HD1 TYR 7 1HD TYR 7 0.895 -3.051 -4.616 56 HD2 TYR 7 2HD TYR 7 -2.550 -1.812 -2.404 57 HE1 TYR 7 1HE TYR 7 1.042 -0.810 -5.646 58 HE2 TYR 7 2HE TYR 7 -2.460 0.408 -3.428 59 HH TYR 7 HH TYR 7 -0.678 1.864 -4.499 60 H LYS 8 HN LYS 8 -2.369 -6.081 -1.360 61 HA LYS 8 HA LYS 8 -1.996 -8.737 -2.652 62 1HB LYS 8 2HB LYS 8 0.083 -7.393 -1.449 63 2HB LYS 8 1HB LYS 8 -0.534 -8.358 -0.109 64 1HG LYS 8 2HG LYS 8 0.155 -9.474 -2.842 65 2HG LYS 8 1HG LYS 8 1.222 -9.545 -1.440 66 1HD LYS 8 2HD LYS 8 -0.218 -10.996 -0.266 67 2HD LYS 8 1HD LYS 8 -1.597 -10.599 -1.290 68 1HE LYS 8 2HE LYS 8 -1.040 -12.615 -2.269 69 2HE LYS 8 1HE LYS 8 0.096 -11.589 -3.169 70 1HZ LYS 8 1HZ LYS 8 0.670 -12.959 -0.592 71 2HZ LYS 8 2HZ LYS 8 1.748 -11.959 -1.443 72 3HZ LYS 8 3HZ LYS 8 1.251 -13.441 -2.111 73 H GLY 9 HN GLY 9 -4.412 -8.487 -2.063 74 1HA GLY 9 2HA GLY 9 -6.203 -9.177 -0.714 75 2HA GLY 9 1HA GLY 9 -5.018 -10.048 0.260 76 H ARG 10 HN ARG 10 -4.548 -6.634 -0.192 77 HA ARG 10 HA ARG 10 -5.798 -5.995 2.440 78 1HB ARG 10 2HB ARG 10 -2.910 -5.527 1.616 79 2HB ARG 10 1HB ARG 10 -3.642 -4.925 3.104 80 1HG ARG 10 2HG ARG 10 -4.147 -7.260 3.781 81 2HG ARG 10 1HG ARG 10 -3.349 -7.840 2.319 82 1HD ARG 10 2HD ARG 10 -1.499 -7.929 3.675 83 2HD ARG 10 1HD ARG 10 -1.416 -6.185 3.352 84 HE ARG 10 HE ARG 10 -3.015 -7.226 5.650 85 1HH1 ARG 10 1HH2 ARG 10 0.096 -6.255 5.104 86 2HH1 ARG 10 2HH2 ARG 10 0.075 -4.895 6.176 87 1HH2 ARG 10 1HH1 ARG 10 -3.352 -5.016 6.689 88 2HH2 ARG 10 2HH1 ARG 10 -1.876 -4.194 7.072 89 H THR 11 HN THR 11 -7.100 -4.247 1.940 90 HA THR 11 HA THR 11 -6.576 -2.535 -0.364 91 HB THR 11 HB THR 11 -8.510 -2.355 1.979 92 HG1 THR 11 1HG THR 11 -9.124 -4.071 0.866 93 1HG2 THR 11 1HG2 THR 11 -9.328 -0.429 1.127 94 2HG2 THR 11 2HG2 THR 11 -9.340 -1.085 -0.509 95 3HG2 THR 11 3HG2 THR 11 -7.872 -0.345 0.132 96 H PHE 12 HN PHE 12 -5.630 -0.461 -0.316 97 HA PHE 12 HA PHE 12 -4.408 0.363 2.280 98 1HB PHE 12 2HB PHE 12 -3.775 0.890 -0.643 99 2HB PHE 12 1HB PHE 12 -2.970 1.753 0.682 100 HD1 PHE 12 1HD PHE 12 -1.189 0.721 1.874 101 HD2 PHE 12 2HD PHE 12 -3.811 -1.605 -0.590 102 HE1 PHE 12 1HE PHE 12 0.283 -1.253 2.198 103 HE2 PHE 12 2HE PHE 12 -2.366 -3.606 -0.236 104 HZ PHE 12 HZ PHE 12 -0.315 -3.423 1.149 105 H ARG 13 HN ARG 13 -5.292 2.084 3.309 106 HA ARG 13 HA ARG 13 -6.905 4.055 1.716 107 1HB ARG 13 2HB ARG 13 -7.343 2.727 4.399 108 2HB ARG 13 1HB ARG 13 -8.200 4.201 3.947 109 1HG ARG 13 2HG ARG 13 -9.490 3.135 2.379 110 2HG ARG 13 1HG ARG 13 -8.206 2.006 1.941 111 1HD ARG 13 2HD ARG 13 -8.858 0.466 3.508 112 2HD ARG 13 1HD ARG 13 -9.271 1.714 4.701 113 HE ARG 13 HE ARG 13 -10.998 1.200 2.310 114 1HH1 ARG 13 1HH1 ARG 13 -11.314 3.432 4.474 115 2HH1 ARG 13 2HH1 ARG 13 -12.623 2.768 5.393 116 1HH2 ARG 13 1HH2 ARG 13 -12.339 -0.397 4.005 117 2HH2 ARG 13 2HH2 ARG 13 -13.204 0.600 5.126 118 H ASN 14 HN ASN 14 -4.043 4.116 2.503 119 HA ASN 14 HA ASN 14 -4.015 6.775 3.768 120 1HB ASN 14 2HB ASN 14 -4.040 4.614 5.418 121 2HB ASN 14 1HB ASN 14 -2.305 4.767 5.138 122 1HD2 ASN 14 1HD2 ASN 14 -1.228 6.695 5.931 123 2HD2 ASN 14 2HD2 ASN 14 -1.992 7.770 6.997 124 H GLU 15 HN GLU 15 -2.335 7.901 2.857 125 HA GLU 15 HA GLU 15 -0.635 6.809 0.845 126 1HB GLU 15 2HB GLU 15 -1.367 9.267 1.639 127 2HB GLU 15 1HB GLU 15 0.213 9.201 2.422 128 1HG GLU 15 2HG GLU 15 1.127 8.413 0.156 129 2HG GLU 15 1HG GLU 15 -0.420 8.926 -0.520 130 H LYS 16 HN LYS 16 -0.147 7.245 4.326 131 HA LYS 16 HA LYS 16 2.632 6.813 4.500 132 1HB LYS 16 2HB LYS 16 1.006 7.544 6.291 133 2HB LYS 16 1HB LYS 16 0.509 5.856 6.424 134 1HG LYS 16 2HG LYS 16 2.175 6.217 8.116 135 2HG LYS 16 1HG LYS 16 2.944 5.280 6.834 136 1HD LYS 16 2HD LYS 16 4.168 7.116 6.045 137 2HD LYS 16 1HD LYS 16 3.074 8.285 6.787 138 1HE LYS 16 2HE LYS 16 5.101 8.250 8.119 139 2HE LYS 16 1HE LYS 16 3.855 7.398 9.052 140 1HZ LYS 16 1HZ LYS 16 5.835 6.124 7.238 141 2HZ LYS 16 2HZ LYS 16 4.623 5.308 8.104 142 3HZ LYS 16 3HZ LYS 16 5.887 6.084 8.933 143 H GLU 17 HN GLU 17 -0.014 4.503 4.460 144 HA GLU 17 HA GLU 17 1.613 2.128 4.815 145 1HB GLU 17 2HB GLU 17 -1.141 2.537 3.596 146 2HB GLU 17 1HB GLU 17 -0.489 0.997 4.151 147 1HG GLU 17 2HG GLU 17 -0.707 3.389 5.982 148 2HG GLU 17 1HG GLU 17 -2.034 2.245 5.773 149 H LEU 18 HN LEU 18 -0.095 3.424 1.961 150 HA LEU 18 HA LEU 18 0.941 1.647 0.021 151 1HB LEU 18 2HB LEU 18 -0.817 3.743 0.129 152 2HB LEU 18 1HB LEU 18 0.510 4.479 -0.765 153 HG LEU 18 HG LEU 18 0.412 2.727 -2.446 154 1HD1 LEU 18 1HD1 LEU 18 -0.979 1.300 -0.372 155 2HD1 LEU 18 2HD1 LEU 18 -0.365 0.662 -1.888 156 3HD1 LEU 18 3HD1 LEU 18 -1.993 1.338 -1.801 157 1HD2 LEU 18 1HD2 LEU 18 -2.130 4.127 -1.693 158 2HD2 LEU 18 2HD2 LEU 18 -2.126 3.022 -3.067 159 3HD2 LEU 18 3HD2 LEU 18 -1.057 4.424 -3.061 160 H ARG 19 HN ARG 19 2.186 4.874 0.951 161 HA ARG 19 HA ARG 19 4.439 4.907 -0.798 162 1HB ARG 19 2HB ARG 19 3.846 6.133 1.905 163 2HB ARG 19 1HB ARG 19 5.304 6.520 0.994 164 1HG ARG 19 2HG ARG 19 2.766 6.667 -0.533 165 2HG ARG 19 1HG ARG 19 2.974 7.888 0.722 166 1HD ARG 19 2HD ARG 19 3.920 8.772 -1.338 167 2HD ARG 19 1HD ARG 19 5.275 8.360 -0.267 168 HE ARG 19 HE ARG 19 4.289 6.407 -2.303 169 1HH1 ARG 19 1HH1 ARG 19 6.271 8.329 -3.393 170 2HH1 ARG 19 2HH1 ARG 19 7.778 7.533 -3.089 171 1HH2 ARG 19 1HH2 ARG 19 6.446 5.325 -0.770 172 2HH2 ARG 19 2HH2 ARG 19 7.878 5.833 -1.602 173 H ASP 20 HN ASP 20 3.856 3.094 2.121 174 HA ASP 20 HA ASP 20 6.746 2.469 2.459 175 1HB ASP 20 2HB ASP 20 5.130 3.161 4.328 176 2HB ASP 20 1HB ASP 20 4.384 1.575 4.126 177 H PHE 21 HN PHE 21 3.653 0.975 1.566 178 HA PHE 21 HA PHE 21 4.561 -1.769 1.628 179 1HB PHE 21 2HB PHE 21 2.203 -1.054 1.676 180 2HB PHE 21 1HB PHE 21 2.329 -0.459 0.033 181 HD1 PHE 21 1HD PHE 21 2.291 -1.971 -1.856 182 HD2 PHE 21 2HD PHE 21 2.637 -3.439 2.161 183 HE1 PHE 21 1HE PHE 21 1.960 -4.292 -2.674 184 HE2 PHE 21 2HE PHE 21 2.280 -5.765 1.350 185 HZ PHE 21 HZ PHE 21 1.948 -6.186 -1.073 186 H ILE 22 HN ILE 22 3.595 -0.017 -1.318 187 HA ILE 22 HA ILE 22 4.905 -1.600 -3.211 188 HB ILE 22 HB ILE 22 4.370 1.391 -3.198 189 1HG1 ILE 22 2HG1 ILE 22 2.510 0.109 -4.803 190 2HG1 ILE 22 1HG1 ILE 22 2.721 -1.031 -3.481 191 1HG2 ILE 22 1HG2 ILE 22 4.471 1.250 -5.620 192 2HG2 ILE 22 2HG2 ILE 22 4.722 -0.493 -5.543 193 3HG2 ILE 22 3HG2 ILE 22 5.980 0.604 -4.973 194 1HD1 ILE 22 1HD1 ILE 22 1.613 0.295 -2.038 195 2HD1 ILE 22 2HD1 ILE 22 1.095 1.206 -3.454 196 3HD1 ILE 22 3HD1 ILE 22 2.512 1.727 -2.546 197 H GLU 23 HN GLU 23 6.202 1.018 -1.234 198 HA GLU 23 HA GLU 23 8.747 1.295 -2.580 199 1HB GLU 23 2HB GLU 23 7.729 2.937 -1.002 200 2HB GLU 23 1HB GLU 23 7.950 1.785 0.314 201 1HG GLU 23 2HG GLU 23 10.351 1.862 0.072 202 2HG GLU 23 1HG GLU 23 10.221 2.819 -1.403 203 H LYS 24 HN LYS 24 7.506 -0.812 -0.038 204 HA LYS 24 HA LYS 24 10.131 -2.049 0.484 205 1HB LYS 24 2HB LYS 24 8.132 -1.597 2.096 206 2HB LYS 24 1HB LYS 24 7.415 -3.033 1.366 207 1HG LYS 24 2HG LYS 24 10.247 -3.164 2.342 208 2HG LYS 24 1HG LYS 24 8.933 -3.256 3.516 209 1HD LYS 24 2HD LYS 24 7.966 -5.013 1.765 210 2HD LYS 24 1HD LYS 24 9.672 -5.174 1.345 211 1HE LYS 24 2HE LYS 24 9.980 -5.331 3.978 212 2HE LYS 24 1HE LYS 24 8.286 -5.859 3.917 213 1HZ LYS 24 1HZ LYS 24 9.630 -7.779 3.594 214 2HZ LYS 24 2HZ LYS 24 10.584 -7.001 2.423 215 3HZ LYS 24 3HZ LYS 24 8.964 -7.386 2.085 216 H PHE 25 HN PHE 25 6.949 -3.181 -0.729 217 HA PHE 25 HA PHE 25 8.250 -5.499 -1.986 218 1HB PHE 25 2HB PHE 25 6.192 -5.640 -0.530 219 2HB PHE 25 1HB PHE 25 5.324 -4.752 -1.784 220 HD1 PHE 25 1HD PHE 25 4.095 -6.045 -3.259 221 HD2 PHE 25 2HD PHE 25 7.716 -7.646 -1.599 222 HE1 PHE 25 1HE PHE 25 3.736 -8.155 -4.514 223 HE2 PHE 25 2HE PHE 25 7.361 -9.757 -2.854 224 HZ PHE 25 HZ PHE 25 5.369 -10.011 -4.311 225 H LYS 26 HN LYS 26 9.229 -3.646 -3.468 226 HA LYS 26 HA LYS 26 7.746 -2.219 -5.381 227 1HB LYS 26 2HB LYS 26 10.457 -3.540 -5.402 228 2HB LYS 26 1HB LYS 26 9.907 -2.545 -6.750 229 1HG LYS 26 2HG LYS 26 9.364 -0.779 -4.904 230 2HG LYS 26 1HG LYS 26 10.470 -1.727 -3.910 231 1HD LYS 26 2HD LYS 26 11.955 -1.544 -6.154 232 2HD LYS 26 1HD LYS 26 11.039 -0.044 -6.295 233 1HE LYS 26 2HE LYS 26 12.117 0.919 -4.522 234 2HE LYS 26 1HE LYS 26 12.127 -0.592 -3.590 235 1HZ LYS 26 1HZ LYS 26 13.809 -1.455 -5.132 236 2HZ LYS 26 2HZ LYS 26 14.361 -0.078 -4.309 237 3HZ LYS 26 3HZ LYS 26 13.852 0.046 -5.925 238 H GLY 27 HN GLY 27 8.371 -5.629 -5.237 239 1HA GLY 27 2HA GLY 27 6.828 -7.116 -6.496 240 2HA GLY 27 1HA GLY 27 6.930 -5.970 -7.833 241 H ARG 28 HN ARG 28 9.581 -7.225 -5.830 242 HA ARG 28 HA ARG 28 11.055 -7.979 -8.281 243 1HB ARG 28 2HB ARG 28 12.909 -8.276 -6.658 244 2HB ARG 28 1HB ARG 28 12.127 -6.710 -6.462 245 1HG ARG 28 2HG ARG 28 11.717 -7.194 -4.302 246 2HG ARG 28 1HG ARG 28 10.710 -8.549 -4.807 247 1HD ARG 28 2HD ARG 28 12.950 -9.849 -5.071 248 2HD ARG 28 1HD ARG 28 13.636 -8.559 -4.063 249 HE ARG 28 HE ARG 28 11.408 -9.188 -2.646 250 1HH1 ARG 28 1HH2 ARG 28 11.861 -11.805 -4.370 251 2HH1 ARG 28 2HH2 ARG 28 12.572 -12.812 -3.153 252 1HH2 ARG 28 1HH1 ARG 28 13.175 -10.191 -0.962 253 2HH2 ARG 28 2HH1 ARG 28 13.316 -11.898 -1.223 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 -12.325 8.282 5.587 2 2H GLU 1 2HT GLU 1 -10.781 7.833 6.135 3 3H GLU 1 3HT GLU 1 -12.166 7.135 6.827 4 HA GLU 1 HA GLU 1 -11.072 5.600 5.271 5 1HB GLU 1 2HB GLU 1 -13.688 6.165 5.714 6 2HB GLU 1 1HB GLU 1 -13.621 6.400 3.967 7 1HG GLU 1 2HG GLU 1 -12.264 4.105 4.080 8 2HG GLU 1 1HG GLU 1 -13.202 3.910 5.561 9 H GLN 2 HN GLN 2 -9.598 5.783 3.635 10 HA GLN 2 HA GLN 2 -9.985 7.889 1.545 11 1HB GLN 2 2HB GLN 2 -7.851 7.197 3.144 12 2HB GLN 2 1HB GLN 2 -7.479 6.331 1.653 13 1HG GLN 2 2HG GLN 2 -7.959 8.520 0.424 14 2HG GLN 2 1HG GLN 2 -7.944 9.298 2.006 15 1HE2 GLN 2 1HE2 GLN 2 -5.984 9.900 -0.025 16 2HE2 GLN 2 2HE2 GLN 2 -4.471 9.368 0.533 17 H TYR 3 HN TYR 3 -8.434 6.790 -0.461 18 HA TYR 3 HA TYR 3 -10.133 5.256 -2.009 19 1HB TYR 3 2HB TYR 3 -7.975 4.567 -3.193 20 2HB TYR 3 1HB TYR 3 -8.254 6.292 -2.982 21 HD1 TYR 3 1HD TYR 3 -6.469 7.546 -2.299 22 HD2 TYR 3 2HD TYR 3 -6.732 3.465 -0.993 23 HE1 TYR 3 1HE TYR 3 -4.337 7.793 -1.080 24 HE2 TYR 3 2HE TYR 3 -4.612 3.716 0.219 25 HH TYR 3 HH TYR 3 -2.449 5.480 -0.190 26 H THR 4 HN THR 4 -9.993 2.974 -2.717 27 HA THR 4 HA THR 4 -9.518 1.161 -0.390 28 HB THR 4 HB THR 4 -11.061 0.655 -2.948 29 HG1 THR 4 1HG THR 4 -11.958 1.747 -0.490 30 1HG2 THR 4 1HG2 THR 4 -11.102 -0.549 -0.171 31 2HG2 THR 4 2HG2 THR 4 -10.628 -1.348 -1.670 32 3HG2 THR 4 3HG2 THR 4 -12.312 -0.897 -1.405 33 H ALA 5 HN ALA 5 -7.348 2.094 -2.217 34 HA ALA 5 HA ALA 5 -6.553 0.348 -4.238 35 1HB ALA 5 1HB ALA 5 -5.471 2.445 -2.925 36 2HB ALA 5 2HB ALA 5 -4.529 1.390 -3.981 37 3HB ALA 5 3HB ALA 5 -4.505 1.135 -2.231 38 H LYS 6 HN LYS 6 -6.192 -1.824 -4.239 39 HA LYS 6 HA LYS 6 -5.496 -3.148 -1.643 40 1HB LYS 6 2HB LYS 6 -6.483 -5.181 -2.758 41 2HB LYS 6 1HB LYS 6 -7.634 -3.872 -2.499 42 1HG LYS 6 2HG LYS 6 -7.777 -3.364 -4.750 43 2HG LYS 6 1HG LYS 6 -6.148 -3.941 -5.094 44 1HD LYS 6 2HD LYS 6 -7.090 -6.288 -4.489 45 2HD LYS 6 1HD LYS 6 -8.672 -5.544 -4.730 46 1HE LYS 6 2HE LYS 6 -7.981 -4.839 -7.015 47 2HE LYS 6 1HE LYS 6 -6.424 -5.657 -6.775 48 1HZ LYS 6 1HZ LYS 6 -9.125 -6.892 -6.677 49 2HZ LYS 6 2HZ LYS 6 -7.700 -7.690 -6.208 50 3HZ LYS 6 3HZ LYS 6 -7.909 -7.194 -7.820 51 H TYR 7 HN TYR 7 -3.714 -4.462 -1.565 52 HA TYR 7 HA TYR 7 -2.110 -4.797 -4.078 53 1HB TYR 7 2HB TYR 7 -1.291 -3.913 -1.311 54 2HB TYR 7 1HB TYR 7 -0.133 -4.456 -2.509 55 HD1 TYR 7 1HD TYR 7 0.667 -3.024 -4.107 56 HD2 TYR 7 2HD TYR 7 -2.938 -2.064 -2.019 57 HE1 TYR 7 1HE TYR 7 0.673 -0.793 -5.161 58 HE2 TYR 7 2HE TYR 7 -2.975 0.182 -3.055 59 HH TYR 7 HH TYR 7 -1.569 1.008 -5.657 60 H LYS 8 HN LYS 8 -2.114 -6.969 -4.446 61 HA LYS 8 HA LYS 8 -2.013 -9.303 -4.062 62 1HB LYS 8 2HB LYS 8 0.146 -8.002 -2.945 63 2HB LYS 8 1HB LYS 8 -0.446 -8.956 -1.587 64 1HG LYS 8 2HG LYS 8 0.144 -10.066 -4.348 65 2HG LYS 8 1HG LYS 8 1.225 -10.197 -2.961 66 1HD LYS 8 2HD LYS 8 -0.802 -11.259 -1.742 67 2HD LYS 8 1HD LYS 8 -1.484 -11.464 -3.355 68 1HE LYS 8 2HE LYS 8 -0.293 -13.402 -3.460 69 2HE LYS 8 1HE LYS 8 1.154 -12.387 -3.611 70 1HZ LYS 8 1HZ LYS 8 -0.110 -13.216 -1.049 71 2HZ LYS 8 2HZ LYS 8 1.283 -12.255 -1.206 72 3HZ LYS 8 3HZ LYS 8 1.314 -13.878 -1.698 73 H GLY 9 HN GLY 9 -4.121 -7.630 -2.563 74 1HA GLY 9 2HA GLY 9 -5.987 -8.621 -1.367 75 2HA GLY 9 1HA GLY 9 -4.868 -9.773 -0.640 76 H ARG 10 HN ARG 10 -4.337 -6.274 -0.838 77 HA ARG 10 HA ARG 10 -4.894 -6.002 2.082 78 1HB ARG 10 2HB ARG 10 -2.295 -5.299 0.674 79 2HB ARG 10 1HB ARG 10 -2.648 -4.988 2.373 80 1HG ARG 10 2HG ARG 10 -2.993 -7.449 2.697 81 2HG ARG 10 1HG ARG 10 -2.475 -7.701 1.030 82 1HD ARG 10 2HD ARG 10 -0.360 -6.331 1.733 83 2HD ARG 10 1HD ARG 10 -0.849 -6.758 3.384 84 HE ARG 10 HE ARG 10 -0.146 -8.711 1.246 85 1HH1 ARG 10 1HH1 ARG 10 1.074 -8.195 4.095 86 2HH1 ARG 10 2HH1 ARG 10 0.541 -9.634 4.898 87 1HH2 ARG 10 1HH2 ARG 10 -1.757 -10.472 2.441 88 2HH2 ARG 10 2HH2 ARG 10 -1.062 -10.923 3.962 89 H THR 11 HN THR 11 -6.470 -4.406 1.906 90 HA THR 11 HA THR 11 -6.479 -2.355 -0.119 91 HB THR 11 HB THR 11 -7.883 -2.479 2.562 92 HG1 THR 11 1HG THR 11 -8.723 -4.172 1.643 93 1HG2 THR 11 1HG2 THR 11 -8.345 -0.340 1.812 94 2HG2 THR 11 2HG2 THR 11 -9.612 -1.229 0.966 95 3HG2 THR 11 3HG2 THR 11 -8.134 -0.777 0.115 96 H PHE 12 HN PHE 12 -6.329 0.025 0.370 97 HA PHE 12 HA PHE 12 -4.529 0.660 2.675 98 1HB PHE 12 2HB PHE 12 -4.181 1.205 -0.282 99 2HB PHE 12 1HB PHE 12 -3.440 2.277 0.924 100 HD1 PHE 12 1HD PHE 12 -1.578 1.518 2.305 101 HD2 PHE 12 2HD PHE 12 -3.674 -1.134 -0.342 102 HE1 PHE 12 1HE PHE 12 0.207 -0.195 2.611 103 HE2 PHE 12 2HE PHE 12 -1.918 -2.851 0.004 104 HZ PHE 12 HZ PHE 12 0.021 -2.384 1.467 105 H ARG 13 HN ARG 13 -5.238 2.384 3.822 106 HA ARG 13 HA ARG 13 -7.190 4.266 2.533 107 1HB ARG 13 2HB ARG 13 -7.079 3.085 5.327 108 2HB ARG 13 1HB ARG 13 -8.198 4.358 4.844 109 1HG ARG 13 2HG ARG 13 -9.227 2.918 3.192 110 2HG ARG 13 1HG ARG 13 -8.012 1.667 3.463 111 1HD ARG 13 2HD ARG 13 -8.799 1.456 5.827 112 2HD ARG 13 1HD ARG 13 -10.081 2.630 5.472 113 HE ARG 13 HE ARG 13 -9.804 0.107 3.887 114 1HH1 ARG 13 1HH2 ARG 13 -11.479 0.016 6.406 115 2HH1 ARG 13 2HH2 ARG 13 -13.062 0.335 5.780 116 1HH2 ARG 13 1HH1 ARG 13 -11.906 1.562 2.750 117 2HH2 ARG 13 2HH1 ARG 13 -13.304 1.213 3.711 118 H ASN 14 HN ASN 14 -4.263 4.515 2.750 119 HA ASN 14 HA ASN 14 -4.117 7.190 3.912 120 1HB ASN 14 2HB ASN 14 -3.915 5.144 5.696 121 2HB ASN 14 1HB ASN 14 -2.224 5.315 5.224 122 1HD2 ASN 14 1HD2 ASN 14 -1.152 7.372 5.694 123 2HD2 ASN 14 2HD2 ASN 14 -1.820 8.479 6.791 124 H GLU 15 HN GLU 15 -2.299 8.281 3.094 125 HA GLU 15 HA GLU 15 -0.908 7.088 0.846 126 1HB GLU 15 2HB GLU 15 -1.607 9.544 1.378 127 2HB GLU 15 1HB GLU 15 -0.101 9.607 2.295 128 1HG GLU 15 2HG GLU 15 0.905 8.559 0.077 129 2HG GLU 15 1HG GLU 15 -0.513 9.309 -0.656 130 H LYS 16 HN LYS 16 0.052 7.935 4.177 131 HA LYS 16 HA LYS 16 2.806 7.422 4.040 132 1HB LYS 16 2HB LYS 16 0.752 7.010 6.213 133 2HB LYS 16 1HB LYS 16 2.487 6.886 6.509 134 1HG LYS 16 2HG LYS 16 1.674 9.325 5.051 135 2HG LYS 16 1HG LYS 16 1.048 9.217 6.696 136 1HD LYS 16 2HD LYS 16 3.373 8.729 7.495 137 2HD LYS 16 1HD LYS 16 3.953 9.013 5.852 138 1HE LYS 16 2HE LYS 16 4.237 11.136 6.804 139 2HE LYS 16 1HE LYS 16 2.603 11.293 6.129 140 1HZ LYS 16 1HZ LYS 16 3.311 10.499 8.905 141 2HZ LYS 16 2HZ LYS 16 1.736 10.458 8.270 142 3HZ LYS 16 3HZ LYS 16 2.546 11.939 8.428 143 H GLU 17 HN GLU 17 0.170 5.183 4.637 144 HA GLU 17 HA GLU 17 1.733 2.817 5.102 145 1HB GLU 17 2HB GLU 17 -1.074 3.319 4.069 146 2HB GLU 17 1HB GLU 17 -0.474 1.715 4.480 147 1HG GLU 17 2HG GLU 17 -0.362 4.015 6.433 148 2HG GLU 17 1HG GLU 17 -1.766 2.953 6.309 149 H LEU 18 HN LEU 18 -0.199 3.624 2.214 150 HA LEU 18 HA LEU 18 0.825 1.655 0.485 151 1HB LEU 18 2HB LEU 18 -1.139 3.369 0.316 152 2HB LEU 18 1HB LEU 18 0.061 4.428 -0.421 153 HG LEU 18 HG LEU 18 0.552 2.655 -2.092 154 1HD1 LEU 18 1HD1 LEU 18 -0.670 0.951 -0.325 155 2HD1 LEU 18 2HD1 LEU 18 -0.384 0.567 -1.998 156 3HD1 LEU 18 3HD1 LEU 18 -1.948 1.190 -1.497 157 1HD2 LEU 18 1HD2 LEU 18 -2.415 3.199 -2.066 158 2HD2 LEU 18 2HD2 LEU 18 -1.325 3.132 -3.452 159 3HD2 LEU 18 3HD2 LEU 18 -1.248 4.494 -2.334 160 H ARG 19 HN ARG 19 2.033 4.980 0.983 161 HA ARG 19 HA ARG 19 4.077 4.943 -1.005 162 1HB ARG 19 2HB ARG 19 3.708 6.335 1.649 163 2HB ARG 19 1HB ARG 19 5.108 6.657 0.626 164 1HG ARG 19 2HG ARG 19 2.470 6.720 -0.736 165 2HG ARG 19 1HG ARG 19 2.776 8.021 0.415 166 1HD ARG 19 2HD ARG 19 3.684 8.916 -1.559 167 2HD ARG 19 1HD ARG 19 5.114 8.155 -0.833 168 HE ARG 19 HE ARG 19 4.807 6.254 -2.339 169 1HH1 ARG 19 1HH1 ARG 19 1.812 7.592 -2.472 170 2HH1 ARG 19 2HH1 ARG 19 1.703 7.700 -4.197 171 1HH2 ARG 19 1HH2 ARG 19 5.051 6.962 -4.719 172 2HH2 ARG 19 2HH2 ARG 19 3.538 7.343 -5.470 173 H ASP 20 HN ASP 20 3.869 3.302 2.060 174 HA ASP 20 HA ASP 20 6.793 2.732 2.080 175 1HB ASP 20 2HB ASP 20 4.530 2.786 4.016 176 2HB ASP 20 1HB ASP 20 5.797 1.595 4.320 177 H PHE 21 HN PHE 21 3.637 1.188 1.646 178 HA PHE 21 HA PHE 21 4.469 -1.551 1.901 179 1HB PHE 21 2HB PHE 21 2.144 -0.791 1.926 180 2HB PHE 21 1HB PHE 21 2.243 -0.308 0.245 181 HD1 PHE 21 1HD PHE 21 2.187 -1.963 -1.541 182 HD2 PHE 21 2HD PHE 21 2.474 -3.135 2.575 183 HE1 PHE 21 1HE PHE 21 1.780 -4.326 -2.186 184 HE2 PHE 21 2HE PHE 21 2.038 -5.502 1.940 185 HZ PHE 21 HZ PHE 21 1.698 -6.095 -0.446 186 H ILE 22 HN ILE 22 3.505 -0.065 -1.192 187 HA ILE 22 HA ILE 22 4.690 -1.857 -2.962 188 HB ILE 22 HB ILE 22 4.339 1.149 -3.176 189 1HG1 ILE 22 2HG1 ILE 22 2.420 -0.145 -4.694 190 2HG1 ILE 22 1HG1 ILE 22 2.578 -1.207 -3.299 191 1HG2 ILE 22 1HG2 ILE 22 4.410 0.805 -5.596 192 2HG2 ILE 22 2HG2 ILE 22 4.633 -0.929 -5.367 193 3HG2 ILE 22 3HG2 ILE 22 5.907 0.196 -4.891 194 1HD1 ILE 22 1HD1 ILE 22 1.568 0.257 -1.935 195 2HD1 ILE 22 2HD1 ILE 22 1.046 1.082 -3.402 196 3HD1 ILE 22 3HD1 ILE 22 2.500 1.619 -2.560 197 H GLU 23 HN GLU 23 6.182 0.795 -1.196 198 HA GLU 23 HA GLU 23 8.704 0.928 -2.562 199 1HB GLU 23 2HB GLU 23 7.574 2.425 -0.730 200 2HB GLU 23 1HB GLU 23 8.345 1.318 0.408 201 1HG GLU 23 2HG GLU 23 10.480 1.779 -1.088 202 2HG GLU 23 1HG GLU 23 9.604 3.255 -1.500 203 H LYS 24 HN LYS 24 7.525 -1.078 0.116 204 HA LYS 24 HA LYS 24 10.097 -2.488 0.405 205 1HB LYS 24 2HB LYS 24 8.591 -1.944 2.313 206 2HB LYS 24 1HB LYS 24 7.336 -2.952 1.591 207 1HG LYS 24 2HG LYS 24 8.422 -4.320 3.224 208 2HG LYS 24 1HG LYS 24 9.016 -4.868 1.656 209 1HD LYS 24 2HD LYS 24 10.854 -2.963 2.171 210 2HD LYS 24 1HD LYS 24 10.450 -3.421 3.825 211 1HE LYS 24 2HE LYS 24 10.678 -5.889 2.713 212 2HE LYS 24 1HE LYS 24 11.851 -4.990 1.730 213 1HZ LYS 24 1HZ LYS 24 11.707 -5.017 4.699 214 2HZ LYS 24 2HZ LYS 24 12.776 -4.068 3.786 215 3HZ LYS 24 3HZ LYS 24 12.904 -5.761 3.750 216 H PHE 25 HN PHE 25 6.752 -3.332 -0.561 217 HA PHE 25 HA PHE 25 7.699 -5.837 -1.768 218 1HB PHE 25 2HB PHE 25 5.701 -5.723 -0.278 219 2HB PHE 25 1HB PHE 25 4.927 -4.654 -1.446 220 HD1 PHE 25 1HD PHE 25 3.221 -5.802 -2.511 221 HD2 PHE 25 2HD PHE 25 6.975 -7.780 -1.862 222 HE1 PHE 25 1HE PHE 25 2.406 -7.766 -3.788 223 HE2 PHE 25 2HE PHE 25 6.164 -9.744 -3.142 224 HZ PHE 25 HZ PHE 25 3.877 -9.737 -4.105 225 H LYS 26 HN LYS 26 8.855 -4.047 -3.281 226 HA LYS 26 HA LYS 26 7.430 -2.614 -5.254 227 1HB LYS 26 2HB LYS 26 10.126 -3.959 -5.150 228 2HB LYS 26 1HB LYS 26 9.626 -3.020 -6.557 229 1HG LYS 26 2HG LYS 26 8.982 -1.260 -4.623 230 2HG LYS 26 1HG LYS 26 10.303 -2.099 -3.810 231 1HD LYS 26 2HD LYS 26 10.492 -0.938 -6.604 232 2HD LYS 26 1HD LYS 26 11.058 -0.115 -5.150 233 1HE LYS 26 2HE LYS 26 12.426 -2.294 -4.713 234 2HE LYS 26 1HE LYS 26 12.144 -2.620 -6.434 235 1HZ LYS 26 1HZ LYS 26 14.115 -1.324 -6.287 236 2HZ LYS 26 2HZ LYS 26 13.385 -0.202 -5.241 237 3HZ LYS 26 3HZ LYS 26 12.894 -0.293 -6.862 238 H GLY 27 HN GLY 27 7.856 -6.031 -4.961 239 1HA GLY 27 2HA GLY 27 7.249 -6.558 -7.794 240 2HA GLY 27 1HA GLY 27 7.560 -7.779 -6.560 241 H ARG 28 HN ARG 28 5.185 -5.115 -6.777 242 HA ARG 28 HA ARG 28 3.069 -6.712 -5.597 243 1HB ARG 28 2HB ARG 28 1.720 -4.694 -6.143 244 2HB ARG 28 1HB ARG 28 3.244 -4.271 -5.368 245 1HG ARG 28 2HG ARG 28 3.600 -2.879 -7.114 246 2HG ARG 28 1HG ARG 28 3.895 -4.326 -8.078 247 1HD ARG 28 2HD ARG 28 1.882 -4.163 -9.161 248 2HD ARG 28 1HD ARG 28 1.034 -3.614 -7.701 249 HE ARG 28 HE ARG 28 1.885 -1.363 -8.108 250 1HH1 ARG 28 1HH1 ARG 28 0.725 -2.252 -10.793 251 2HH1 ARG 28 2HH1 ARG 28 1.974 -1.738 -11.879 252 1HH2 ARG 28 1HH2 ARG 28 4.343 -1.326 -9.380 253 2HH2 ARG 28 2HH2 ARG 28 4.022 -1.215 -11.079 Start of MODEL 11 1 1H GLU 1 1HT GLU 1 -10.174 5.272 5.806 2 2H GLU 1 2HT GLU 1 -11.062 5.922 7.101 3 3H GLU 1 3HT GLU 1 -9.974 6.901 6.236 4 HA GLU 1 HA GLU 1 -12.379 5.655 5.010 5 1HB GLU 1 2HB GLU 1 -11.934 8.022 6.728 6 2HB GLU 1 1HB GLU 1 -12.866 8.338 5.266 7 1HG GLU 1 2HG GLU 1 -13.743 5.865 6.525 8 2HG GLU 1 1HG GLU 1 -13.819 7.208 7.665 9 H GLN 2 HN GLN 2 -9.732 5.692 3.895 10 HA GLN 2 HA GLN 2 -9.859 7.940 1.918 11 1HB GLN 2 2HB GLN 2 -7.790 6.688 3.482 12 2HB GLN 2 1HB GLN 2 -7.431 6.424 1.776 13 1HG GLN 2 2HG GLN 2 -6.486 8.501 1.960 14 2HG GLN 2 1HG GLN 2 -8.146 9.030 1.683 15 1HE2 GLN 2 1HE2 GLN 2 -5.575 9.584 3.707 16 2HE2 GLN 2 2HE2 GLN 2 -6.410 10.075 5.099 17 H TYR 3 HN TYR 3 -8.441 6.880 -0.151 18 HA TYR 3 HA TYR 3 -10.213 5.443 -1.714 19 1HB TYR 3 2HB TYR 3 -8.090 4.766 -2.982 20 2HB TYR 3 1HB TYR 3 -8.356 6.484 -2.709 21 HD1 TYR 3 1HD TYR 3 -6.526 7.699 -2.075 22 HD2 TYR 3 2HD TYR 3 -6.812 3.604 -0.818 23 HE1 TYR 3 1HE TYR 3 -4.355 7.899 -0.911 24 HE2 TYR 3 2HE TYR 3 -4.653 3.807 0.337 25 HH TYR 3 HH TYR 3 -3.094 6.850 0.831 26 H THR 4 HN THR 4 -10.113 3.178 -2.527 27 HA THR 4 HA THR 4 -9.612 1.277 -0.275 28 HB THR 4 HB THR 4 -11.214 0.849 -2.806 29 HG1 THR 4 1HG THR 4 -12.381 2.418 -2.020 30 1HG2 THR 4 1HG2 THR 4 -11.799 -0.299 -0.098 31 2HG2 THR 4 2HG2 THR 4 -10.504 -1.000 -1.070 32 3HG2 THR 4 3HG2 THR 4 -12.154 -0.963 -1.693 33 H ALA 5 HN ALA 5 -7.435 2.204 -2.034 34 HA ALA 5 HA ALA 5 -6.723 0.531 -4.164 35 1HB ALA 5 1HB ALA 5 -5.575 2.549 -2.770 36 2HB ALA 5 2HB ALA 5 -4.675 1.528 -3.895 37 3HB ALA 5 3HB ALA 5 -4.626 1.184 -2.160 38 H LYS 6 HN LYS 6 -6.324 -1.658 -4.257 39 HA LYS 6 HA LYS 6 -5.672 -3.058 -1.687 40 1HB LYS 6 2HB LYS 6 -6.695 -5.048 -2.834 41 2HB LYS 6 1HB LYS 6 -7.824 -3.726 -2.547 42 1HG LYS 6 2HG LYS 6 -7.928 -3.145 -4.797 43 2HG LYS 6 1HG LYS 6 -6.344 -3.827 -5.156 44 1HD LYS 6 2HD LYS 6 -7.187 -5.901 -5.548 45 2HD LYS 6 1HD LYS 6 -8.307 -5.806 -4.189 46 1HE LYS 6 2HE LYS 6 -9.597 -5.891 -6.271 47 2HE LYS 6 1HE LYS 6 -9.747 -4.261 -5.584 48 1HZ LYS 6 1HZ LYS 6 -9.130 -4.263 -7.970 49 2HZ LYS 6 2HZ LYS 6 -7.681 -5.052 -7.566 50 3HZ LYS 6 3HZ LYS 6 -7.984 -3.489 -6.982 51 H TYR 7 HN TYR 7 -3.904 -4.387 -1.635 52 HA TYR 7 HA TYR 7 -2.340 -4.744 -4.168 53 1HB TYR 7 2HB TYR 7 -1.431 -3.851 -1.427 54 2HB TYR 7 1HB TYR 7 -0.321 -4.400 -2.666 55 HD1 TYR 7 1HD TYR 7 0.418 -2.972 -4.309 56 HD2 TYR 7 2HD TYR 7 -3.073 -1.992 -2.044 57 HE1 TYR 7 1HE TYR 7 0.399 -0.727 -5.341 58 HE2 TYR 7 2HE TYR 7 -3.130 0.262 -3.054 59 HH TYR 7 HH TYR 7 -1.986 1.143 -5.615 60 H LYS 8 HN LYS 8 -2.325 -6.913 -4.518 61 HA LYS 8 HA LYS 8 -2.179 -9.238 -4.134 62 1HB LYS 8 2HB LYS 8 -0.515 -8.122 -1.856 63 2HB LYS 8 1HB LYS 8 -0.480 -9.804 -2.390 64 1HG LYS 8 2HG LYS 8 0.086 -7.457 -4.218 65 2HG LYS 8 1HG LYS 8 1.345 -8.361 -3.378 66 1HD LYS 8 2HD LYS 8 -0.518 -10.143 -4.753 67 2HD LYS 8 1HD LYS 8 0.226 -8.997 -5.866 68 1HE LYS 8 2HE LYS 8 2.411 -9.723 -4.418 69 2HE LYS 8 1HE LYS 8 1.470 -11.227 -4.359 70 1HZ LYS 8 1HZ LYS 8 1.105 -10.974 -6.780 71 2HZ LYS 8 2HZ LYS 8 2.737 -11.220 -6.375 72 3HZ LYS 8 3HZ LYS 8 2.184 -9.665 -6.783 73 H GLY 9 HN GLY 9 -4.333 -7.581 -2.620 74 1HA GLY 9 2HA GLY 9 -6.212 -8.672 -1.509 75 2HA GLY 9 1HA GLY 9 -5.075 -9.795 -0.768 76 H ARG 10 HN ARG 10 -4.561 -6.302 -0.865 77 HA ARG 10 HA ARG 10 -5.327 -6.075 2.011 78 1HB ARG 10 2HB ARG 10 -2.614 -5.447 0.799 79 2HB ARG 10 1HB ARG 10 -3.083 -5.076 2.459 80 1HG ARG 10 2HG ARG 10 -3.560 -7.517 2.804 81 2HG ARG 10 1HG ARG 10 -2.896 -7.824 1.199 82 1HD ARG 10 2HD ARG 10 -0.759 -6.708 1.944 83 2HD ARG 10 1HD ARG 10 -1.430 -6.661 3.587 84 HE ARG 10 HE ARG 10 -1.649 -9.164 3.429 85 1HH1 ARG 10 1HH1 ARG 10 1.263 -8.479 3.492 86 2HH1 ARG 10 2HH1 ARG 10 1.882 -9.389 2.155 87 1HH2 ARG 10 1HH2 ARG 10 -1.233 -9.911 0.725 88 2HH2 ARG 10 2HH2 ARG 10 0.469 -10.199 0.589 89 H THR 11 HN THR 11 -6.785 -4.388 1.879 90 HA THR 11 HA THR 11 -6.680 -2.330 -0.139 91 HB THR 11 HB THR 11 -8.128 -2.350 2.521 92 HG1 THR 11 1HG THR 11 -8.965 -4.080 1.653 93 1HG2 THR 11 1HG2 THR 11 -9.765 -0.959 1.270 94 2HG2 THR 11 2HG2 THR 11 -8.690 -0.982 -0.128 95 3HG2 THR 11 3HG2 THR 11 -8.180 -0.189 1.364 96 H PHE 12 HN PHE 12 -6.442 0.056 0.411 97 HA PHE 12 HA PHE 12 -4.576 0.523 2.708 98 1HB PHE 12 2HB PHE 12 -4.279 1.182 -0.230 99 2HB PHE 12 1HB PHE 12 -3.461 2.166 1.000 100 HD1 PHE 12 1HD PHE 12 -1.553 1.296 2.220 101 HD2 PHE 12 2HD PHE 12 -3.919 -1.211 -0.334 102 HE1 PHE 12 1HE PHE 12 0.156 -0.507 2.413 103 HE2 PHE 12 2HE PHE 12 -2.256 -3.028 -0.083 104 HZ PHE 12 HZ PHE 12 -0.211 -2.678 1.272 105 H ARG 13 HN ARG 13 -5.386 2.067 4.010 106 HA ARG 13 HA ARG 13 -7.191 4.159 2.837 107 1HB ARG 13 2HB ARG 13 -7.130 2.674 5.475 108 2HB ARG 13 1HB ARG 13 -8.057 4.161 5.273 109 1HG ARG 13 2HG ARG 13 -9.467 3.195 3.632 110 2HG ARG 13 1HG ARG 13 -8.367 1.843 3.365 111 1HD ARG 13 2HD ARG 13 -8.938 0.824 5.443 112 2HD ARG 13 1HD ARG 13 -9.717 2.304 6.040 113 HE ARG 13 HE ARG 13 -11.413 1.975 4.188 114 1HH1 ARG 13 1HH1 ARG 13 -10.982 -0.342 6.372 115 2HH1 ARG 13 2HH1 ARG 13 -11.397 -1.699 5.378 116 1HH2 ARG 13 1HH2 ARG 13 -11.286 0.100 2.415 117 2HH2 ARG 13 2HH2 ARG 13 -11.569 -1.448 3.138 118 H ASN 14 HN ASN 14 -4.295 4.323 2.951 119 HA ASN 14 HA ASN 14 -4.008 6.857 4.391 120 1HB ASN 14 2HB ASN 14 -3.779 5.267 6.216 121 2HB ASN 14 1HB ASN 14 -2.617 4.311 5.295 122 1HD2 ASN 14 1HD2 ASN 14 -3.043 7.694 6.437 123 2HD2 ASN 14 2HD2 ASN 14 -1.408 7.933 6.827 124 H GLU 15 HN GLU 15 -2.271 8.028 3.547 125 HA GLU 15 HA GLU 15 -1.117 7.128 1.038 126 1HB GLU 15 2HB GLU 15 -1.794 9.482 1.898 127 2HB GLU 15 1HB GLU 15 -0.221 9.483 2.698 128 1HG GLU 15 2HG GLU 15 0.954 9.461 0.682 129 2HG GLU 15 1HG GLU 15 -0.395 8.757 -0.211 130 H LYS 16 HN LYS 16 0.280 7.807 4.270 131 HA LYS 16 HA LYS 16 2.972 7.252 3.733 132 1HB LYS 16 2HB LYS 16 1.280 6.728 6.180 133 2HB LYS 16 1HB LYS 16 3.044 6.714 6.187 134 1HG LYS 16 2HG LYS 16 3.043 9.057 5.353 135 2HG LYS 16 1HG LYS 16 1.282 9.067 5.436 136 1HD LYS 16 2HD LYS 16 1.649 9.903 7.529 137 2HD LYS 16 1HD LYS 16 1.871 8.204 7.943 138 1HE LYS 16 2HE LYS 16 4.313 9.449 6.866 139 2HE LYS 16 1HE LYS 16 3.755 10.175 8.386 140 1HZ LYS 16 1HZ LYS 16 5.171 8.128 8.635 141 2HZ LYS 16 2HZ LYS 16 3.892 7.244 7.959 142 3HZ LYS 16 3HZ LYS 16 3.668 8.074 9.425 143 H GLU 17 HN GLU 17 0.397 5.028 4.581 144 HA GLU 17 HA GLU 17 1.921 2.622 4.832 145 1HB GLU 17 2HB GLU 17 -0.920 3.336 4.122 146 2HB GLU 17 1HB GLU 17 -0.400 1.651 4.097 147 1HG GLU 17 2HG GLU 17 0.055 3.447 6.483 148 2HG GLU 17 1HG GLU 17 -1.405 2.476 6.290 149 H LEU 18 HN LEU 18 -0.093 3.630 2.064 150 HA LEU 18 HA LEU 18 0.791 1.697 0.205 151 1HB LEU 18 2HB LEU 18 -1.106 3.543 0.235 152 2HB LEU 18 1HB LEU 18 0.101 4.507 -0.612 153 HG LEU 18 HG LEU 18 0.311 2.735 -2.318 154 1HD1 LEU 18 1HD1 LEU 18 -0.883 1.109 -0.387 155 2HD1 LEU 18 2HD1 LEU 18 -0.571 0.650 -2.043 156 3HD1 LEU 18 3HD1 LEU 18 -2.138 1.305 -1.590 157 1HD2 LEU 18 1HD2 LEU 18 -2.484 3.753 -1.760 158 2HD2 LEU 18 2HD2 LEU 18 -2.005 3.003 -3.283 159 3HD2 LEU 18 3HD2 LEU 18 -1.254 4.515 -2.770 160 H ARG 19 HN ARG 19 2.034 5.023 0.675 161 HA ARG 19 HA ARG 19 4.043 4.948 -1.342 162 1HB ARG 19 2HB ARG 19 3.813 6.367 1.325 163 2HB ARG 19 1HB ARG 19 5.090 6.720 0.163 164 1HG ARG 19 2HG ARG 19 2.775 6.776 -1.388 165 2HG ARG 19 1HG ARG 19 2.273 7.521 0.128 166 1HD ARG 19 2HD ARG 19 3.330 9.434 -0.460 167 2HD ARG 19 1HD ARG 19 4.869 8.558 -0.571 168 HE ARG 19 HE ARG 19 4.386 8.096 -2.916 169 1HH1 ARG 19 1HH2 ARG 19 1.395 8.870 -1.724 170 2HH1 ARG 19 2HH2 ARG 19 0.973 10.004 -2.963 171 1HH2 ARG 19 1HH1 ARG 19 4.156 10.086 -4.339 172 2HH2 ARG 19 2HH1 ARG 19 2.537 10.692 -4.445 173 H ASP 20 HN ASP 20 3.893 3.353 1.753 174 HA ASP 20 HA ASP 20 6.814 2.777 1.732 175 1HB ASP 20 2HB ASP 20 4.541 2.537 3.705 176 2HB ASP 20 1HB ASP 20 6.083 1.731 3.997 177 H PHE 21 HN PHE 21 3.642 1.194 1.424 178 HA PHE 21 HA PHE 21 4.533 -1.533 1.577 179 1HB PHE 21 2HB PHE 21 2.196 -0.840 1.737 180 2HB PHE 21 1HB PHE 21 2.200 -0.278 0.077 181 HD1 PHE 21 1HD PHE 21 2.019 -1.833 -1.765 182 HD2 PHE 21 2HD PHE 21 2.647 -3.218 2.242 183 HE1 PHE 21 1HE PHE 21 1.613 -4.166 -2.512 184 HE2 PHE 21 2HE PHE 21 2.217 -5.559 1.510 185 HZ PHE 21 HZ PHE 21 1.706 -6.029 -0.874 186 H ILE 22 HN ILE 22 3.373 -0.031 -1.436 187 HA ILE 22 HA ILE 22 4.501 -1.743 -3.311 188 HB ILE 22 HB ILE 22 4.094 1.263 -3.405 189 1HG1 ILE 22 2HG1 ILE 22 2.130 -0.014 -4.884 190 2HG1 ILE 22 1HG1 ILE 22 2.366 -1.114 -3.532 191 1HG2 ILE 22 1HG2 ILE 22 4.072 1.037 -5.828 192 2HG2 ILE 22 2HG2 ILE 22 4.295 -0.708 -5.698 193 3HG2 ILE 22 3HG2 ILE 22 5.597 0.386 -5.228 194 1HD1 ILE 22 1HD1 ILE 22 1.400 0.300 -2.074 195 2HD1 ILE 22 2HD1 ILE 22 0.789 1.142 -3.496 196 3HD1 ILE 22 3HD1 ILE 22 2.271 1.696 -2.717 197 H GLU 23 HN GLU 23 6.047 0.856 -1.527 198 HA GLU 23 HA GLU 23 8.548 0.820 -3.056 199 1HB GLU 23 2HB GLU 23 7.438 2.723 -1.693 200 2HB GLU 23 1HB GLU 23 8.085 1.905 -0.271 201 1HG GLU 23 2HG GLU 23 10.298 1.944 -1.851 202 2HG GLU 23 1HG GLU 23 9.502 3.426 -2.384 203 H LYS 24 HN LYS 24 7.335 -0.574 -0.027 204 HA LYS 24 HA LYS 24 9.908 -1.718 0.758 205 1HB LYS 24 2HB LYS 24 8.120 -1.062 2.346 206 2HB LYS 24 1HB LYS 24 7.051 -2.272 1.637 207 1HG LYS 24 2HG LYS 24 8.468 -4.073 2.369 208 2HG LYS 24 1HG LYS 24 9.742 -2.950 2.851 209 1HD LYS 24 2HD LYS 24 8.653 -2.321 4.778 210 2HD LYS 24 1HD LYS 24 7.052 -2.573 4.082 211 1HE LYS 24 2HE LYS 24 7.144 -4.919 4.422 212 2HE LYS 24 1HE LYS 24 8.904 -4.899 4.656 213 1HZ LYS 24 1HZ LYS 24 6.907 -3.571 6.414 214 2HZ LYS 24 2HZ LYS 24 8.589 -3.528 6.625 215 3HZ LYS 24 3HZ LYS 24 7.752 -4.998 6.786 216 H PHE 25 HN PHE 25 6.823 -3.106 -0.436 217 HA PHE 25 HA PHE 25 8.046 -5.701 -0.918 218 1HB PHE 25 2HB PHE 25 5.705 -5.307 -0.124 219 2HB PHE 25 1HB PHE 25 5.336 -4.594 -1.695 220 HD1 PHE 25 1HD PHE 25 4.127 -6.027 -3.048 221 HD2 PHE 25 2HD PHE 25 7.232 -7.631 -0.557 222 HE1 PHE 25 1HE PHE 25 3.711 -8.285 -3.987 223 HE2 PHE 25 2HE PHE 25 6.818 -9.892 -1.492 224 HZ PHE 25 HZ PHE 25 5.057 -10.219 -3.209 225 H LYS 26 HN LYS 26 9.578 -4.072 -2.420 226 HA LYS 26 HA LYS 26 8.628 -3.462 -5.062 227 1HB LYS 26 2HB LYS 26 11.282 -3.790 -3.695 228 2HB LYS 26 1HB LYS 26 11.232 -3.560 -5.442 229 1HG LYS 26 2HG LYS 26 9.517 -1.694 -3.922 230 2HG LYS 26 1HG LYS 26 11.243 -1.515 -3.611 231 1HD LYS 26 2HD LYS 26 11.491 -1.598 -6.200 232 2HD LYS 26 1HD LYS 26 9.765 -1.232 -6.220 233 1HE LYS 26 2HE LYS 26 10.482 0.660 -4.491 234 2HE LYS 26 1HE LYS 26 12.051 0.478 -5.302 235 1HZ LYS 26 1HZ LYS 26 10.962 0.719 -7.433 236 2HZ LYS 26 2HZ LYS 26 10.613 2.069 -6.461 237 3HZ LYS 26 3HZ LYS 26 9.446 0.854 -6.684 238 H GLY 27 HN GLY 27 9.663 -6.415 -3.592 239 1HA GLY 27 2HA GLY 27 9.580 -8.609 -4.463 240 2HA GLY 27 1HA GLY 27 9.022 -7.934 -5.994 241 H ARG 28 HN ARG 28 11.964 -6.988 -4.279 242 HA ARG 28 HA ARG 28 13.568 -7.456 -6.698 243 1HB ARG 28 2HB ARG 28 13.622 -5.572 -4.842 244 2HB ARG 28 1HB ARG 28 14.658 -6.722 -3.997 245 1HG ARG 28 2HG ARG 28 16.151 -6.828 -5.954 246 2HG ARG 28 1HG ARG 28 15.113 -5.688 -6.813 247 1HD ARG 28 2HD ARG 28 16.017 -4.808 -4.121 248 2HD ARG 28 1HD ARG 28 17.272 -4.892 -5.374 249 HE ARG 28 HE ARG 28 15.339 -3.644 -6.761 250 1HH1 ARG 28 1HH2 ARG 28 13.831 -2.922 -4.311 251 2HH1 ARG 28 2HH2 ARG 28 14.511 -1.388 -3.885 252 1HH2 ARG 28 1HH1 ARG 28 17.326 -1.784 -5.872 253 2HH2 ARG 28 2HH1 ARG 28 16.490 -0.742 -4.769 Start of MODEL 12 1 1H GLU 1 1HT GLU 1 -12.916 7.443 6.348 2 2H GLU 1 2HT GLU 1 -13.110 8.582 5.103 3 3H GLU 1 3HT GLU 1 -11.552 8.096 5.578 4 HA GLU 1 HA GLU 1 -12.089 5.800 4.827 5 1HB GLU 1 2HB GLU 1 -14.586 6.469 5.156 6 2HB GLU 1 1HB GLU 1 -14.463 7.131 3.525 7 1HG GLU 1 2HG GLU 1 -13.400 4.381 3.926 8 2HG GLU 1 1HG GLU 1 -15.153 4.569 3.994 9 H GLN 2 HN GLN 2 -10.144 6.419 3.711 10 HA GLN 2 HA GLN 2 -10.304 8.215 1.374 11 1HB GLN 2 2HB GLN 2 -8.407 7.586 3.251 12 2HB GLN 2 1HB GLN 2 -7.885 6.590 1.892 13 1HG GLN 2 2HG GLN 2 -7.317 8.396 0.612 14 2HG GLN 2 1HG GLN 2 -8.659 9.371 1.209 15 1HE2 GLN 2 1HE2 GLN 2 -5.522 9.733 1.081 16 2HE2 GLN 2 2HE2 GLN 2 -5.157 10.321 2.631 17 H TYR 3 HN TYR 3 -8.679 7.055 -0.473 18 HA TYR 3 HA TYR 3 -10.274 5.348 -1.983 19 1HB TYR 3 2HB TYR 3 -8.077 4.773 -3.124 20 2HB TYR 3 1HB TYR 3 -8.448 6.486 -2.963 21 HD1 TYR 3 1HD TYR 3 -6.791 7.875 -2.225 22 HD2 TYR 3 2HD TYR 3 -6.747 3.765 -0.961 23 HE1 TYR 3 1HE TYR 3 -4.678 8.269 -1.010 24 HE2 TYR 3 2HE TYR 3 -4.633 4.174 0.243 25 HH TYR 3 HH TYR 3 -2.762 5.707 0.227 26 H THR 4 HN THR 4 -10.070 3.060 -2.515 27 HA THR 4 HA THR 4 -9.300 1.415 -0.135 28 HB THR 4 HB THR 4 -10.882 -0.222 -1.483 29 HG1 THR 4 1HG THR 4 -11.323 0.827 -3.292 30 1HG2 THR 4 1HG2 THR 4 -11.857 2.241 -0.013 31 2HG2 THR 4 2HG2 THR 4 -11.421 0.692 0.711 32 3HG2 THR 4 3HG2 THR 4 -12.835 0.809 -0.335 33 H ALA 5 HN ALA 5 -7.256 2.194 -1.961 34 HA ALA 5 HA ALA 5 -6.618 0.526 -4.112 35 1HB ALA 5 1HB ALA 5 -5.392 2.486 -2.660 36 2HB ALA 5 2HB ALA 5 -4.559 1.509 -3.870 37 3HB ALA 5 3HB ALA 5 -4.452 1.073 -2.157 38 H LYS 6 HN LYS 6 -6.101 -1.671 -4.251 39 HA LYS 6 HA LYS 6 -5.513 -3.067 -1.669 40 1HB LYS 6 2HB LYS 6 -6.557 -5.057 -2.801 41 2HB LYS 6 1HB LYS 6 -7.671 -3.731 -2.473 42 1HG LYS 6 2HG LYS 6 -7.952 -3.233 -4.684 43 2HG LYS 6 1HG LYS 6 -6.293 -3.658 -5.099 44 1HD LYS 6 2HD LYS 6 -7.409 -5.432 -6.088 45 2HD LYS 6 1HD LYS 6 -7.130 -6.106 -4.482 46 1HE LYS 6 2HE LYS 6 -9.363 -5.666 -3.787 47 2HE LYS 6 1HE LYS 6 -9.650 -4.558 -5.144 48 1HZ LYS 6 1HZ LYS 6 -10.550 -6.849 -5.479 49 2HZ LYS 6 2HZ LYS 6 -8.951 -7.422 -5.488 50 3HZ LYS 6 3HZ LYS 6 -9.469 -6.338 -6.684 51 H TYR 7 HN TYR 7 -3.747 -4.297 -1.581 52 HA TYR 7 HA TYR 7 -2.191 -4.767 -4.096 53 1HB TYR 7 2HB TYR 7 -1.307 -3.826 -1.359 54 2HB TYR 7 1HB TYR 7 -0.186 -4.427 -2.568 55 HD1 TYR 7 1HD TYR 7 0.619 -3.030 -4.206 56 HD2 TYR 7 2HD TYR 7 -2.937 -1.991 -2.077 57 HE1 TYR 7 1HE TYR 7 0.636 -0.812 -5.293 58 HE2 TYR 7 2HE TYR 7 -2.954 0.240 -3.141 59 HH TYR 7 HH TYR 7 -0.255 1.410 -4.967 60 H LYS 8 HN LYS 8 -2.272 -6.936 -4.398 61 HA LYS 8 HA LYS 8 -2.249 -9.255 -3.960 62 1HB LYS 8 2HB LYS 8 -0.574 -8.157 -1.679 63 2HB LYS 8 1HB LYS 8 -0.674 -9.870 -2.087 64 1HG LYS 8 2HG LYS 8 0.194 -7.703 -4.021 65 2HG LYS 8 1HG LYS 8 1.305 -8.734 -3.118 66 1HD LYS 8 2HD LYS 8 -0.297 -10.633 -4.182 67 2HD LYS 8 1HD LYS 8 -0.436 -9.399 -5.435 68 1HE LYS 8 2HE LYS 8 1.508 -10.315 -6.228 69 2HE LYS 8 1HE LYS 8 2.279 -9.389 -4.926 70 1HZ LYS 8 1HZ LYS 8 1.122 -12.100 -4.564 71 2HZ LYS 8 2HZ LYS 8 2.049 -11.220 -3.443 72 3HZ LYS 8 3HZ LYS 8 2.767 -11.818 -4.863 73 H GLY 9 HN GLY 9 -4.344 -7.415 -2.603 74 1HA GLY 9 2HA GLY 9 -6.302 -8.632 -1.585 75 2HA GLY 9 1HA GLY 9 -5.146 -9.352 -0.469 76 H ARG 10 HN ARG 10 -3.759 -7.520 0.684 77 HA ARG 10 HA ARG 10 -5.402 -6.129 2.494 78 1HB ARG 10 2HB ARG 10 -2.567 -5.903 1.553 79 2HB ARG 10 1HB ARG 10 -3.191 -4.721 2.702 80 1HG ARG 10 2HG ARG 10 -3.973 -6.657 4.132 81 2HG ARG 10 1HG ARG 10 -3.082 -7.727 3.050 82 1HD ARG 10 2HD ARG 10 -1.334 -5.569 3.796 83 2HD ARG 10 1HD ARG 10 -2.051 -6.251 5.269 84 HE ARG 10 HE ARG 10 -0.483 -7.792 3.256 85 1HH1 ARG 10 1HH1 ARG 10 -2.777 -9.263 4.662 86 2HH1 ARG 10 2HH1 ARG 10 -1.931 -9.998 5.982 87 1HH2 ARG 10 1HH2 ARG 10 0.879 -7.997 5.643 88 2HH2 ARG 10 2HH2 ARG 10 0.140 -9.283 6.536 89 H THR 11 HN THR 11 -6.434 -4.149 2.491 90 HA THR 11 HA THR 11 -6.325 -2.521 0.010 91 HB THR 11 HB THR 11 -8.050 -2.284 2.498 92 HG1 THR 11 1HG THR 11 -8.528 -3.496 -0.022 93 1HG2 THR 11 1HG2 THR 11 -9.506 -0.937 0.997 94 2HG2 THR 11 2HG2 THR 11 -8.298 -1.084 -0.278 95 3HG2 THR 11 3HG2 THR 11 -7.915 -0.197 1.196 96 H PHE 12 HN PHE 12 -6.073 -0.102 0.299 97 HA PHE 12 HA PHE 12 -4.406 0.584 2.692 98 1HB PHE 12 2HB PHE 12 -3.970 1.109 -0.270 99 2HB PHE 12 1HB PHE 12 -3.094 1.994 0.996 100 HD1 PHE 12 1HD PHE 12 -1.266 0.966 2.156 101 HD2 PHE 12 2HD PHE 12 -3.917 -1.355 -0.281 102 HE1 PHE 12 1HE PHE 12 0.232 -1.000 2.422 103 HE2 PHE 12 2HE PHE 12 -2.459 -3.349 0.031 104 HZ PHE 12 HZ PHE 12 -0.373 -3.163 1.364 105 H ARG 13 HN ARG 13 -5.464 2.109 3.835 106 HA ARG 13 HA ARG 13 -7.180 4.102 2.397 107 1HB ARG 13 2HB ARG 13 -8.006 2.383 4.187 108 2HB ARG 13 1HB ARG 13 -7.213 3.453 5.343 109 1HG ARG 13 2HG ARG 13 -8.576 5.331 4.619 110 2HG ARG 13 1HG ARG 13 -9.293 4.358 3.333 111 1HD ARG 13 2HD ARG 13 -10.935 3.925 4.865 112 2HD ARG 13 1HD ARG 13 -9.758 2.802 5.577 113 HE ARG 13 HE ARG 13 -10.144 5.632 6.467 114 1HH1 ARG 13 1HH1 ARG 13 -11.011 3.441 8.268 115 2HH1 ARG 13 2HH1 ARG 13 -9.634 3.229 9.297 116 1HH2 ARG 13 1HH2 ARG 13 -7.465 4.929 7.193 117 2HH2 ARG 13 2HH2 ARG 13 -7.627 4.071 8.689 118 H ASN 14 HN ASN 14 -4.223 4.239 2.783 119 HA ASN 14 HA ASN 14 -4.081 6.946 3.915 120 1HB ASN 14 2HB ASN 14 -4.009 5.573 5.921 121 2HB ASN 14 1HB ASN 14 -2.774 4.530 5.217 122 1HD2 ASN 14 1HD2 ASN 14 -3.297 8.010 5.955 123 2HD2 ASN 14 2HD2 ASN 14 -1.699 8.306 6.446 124 H GLU 15 HN GLU 15 -2.357 8.045 3.011 125 HA GLU 15 HA GLU 15 -0.954 6.904 0.763 126 1HB GLU 15 2HB GLU 15 -1.628 9.373 1.570 127 2HB GLU 15 1HB GLU 15 0.031 9.349 2.168 128 1HG GLU 15 2HG GLU 15 0.941 9.094 0.027 129 2HG GLU 15 1HG GLU 15 -0.558 8.441 -0.637 130 H LYS 16 HN LYS 16 -0.012 7.582 4.130 131 HA LYS 16 HA LYS 16 2.752 7.102 3.981 132 1HB LYS 16 2HB LYS 16 0.952 7.736 5.899 133 2HB LYS 16 1HB LYS 16 1.282 6.056 6.328 134 1HG LYS 16 2HG LYS 16 2.911 7.272 7.531 135 2HG LYS 16 1HG LYS 16 3.781 6.702 6.106 136 1HD LYS 16 2HD LYS 16 3.878 8.803 5.151 137 2HD LYS 16 1HD LYS 16 2.386 9.339 5.924 138 1HE LYS 16 2HE LYS 16 3.563 9.444 8.110 139 2HE LYS 16 1HE LYS 16 5.068 8.960 7.304 140 1HZ LYS 16 1HZ LYS 16 4.812 11.400 7.466 141 2HZ LYS 16 2HZ LYS 16 3.413 11.297 6.512 142 3HZ LYS 16 3HZ LYS 16 4.917 10.853 5.861 143 H GLU 17 HN GLU 17 0.125 4.830 4.489 144 HA GLU 17 HA GLU 17 1.704 2.450 4.807 145 1HB GLU 17 2HB GLU 17 -1.107 2.876 3.733 146 2HB GLU 17 1HB GLU 17 -0.463 1.338 4.307 147 1HG GLU 17 2HG GLU 17 -0.405 3.768 6.086 148 2HG GLU 17 1HG GLU 17 -1.866 2.791 5.953 149 H LEU 18 HN LEU 18 -0.135 3.604 1.968 150 HA LEU 18 HA LEU 18 0.816 1.707 0.086 151 1HB LEU 18 2HB LEU 18 -0.992 3.730 0.141 152 2HB LEU 18 1HB LEU 18 0.287 4.514 -0.782 153 HG LEU 18 HG LEU 18 0.260 2.704 -2.421 154 1HD1 LEU 18 1HD1 LEU 18 -1.034 1.267 -0.326 155 2HD1 LEU 18 2HD1 LEU 18 -0.543 0.643 -1.891 156 3HD1 LEU 18 3HD1 LEU 18 -2.155 1.324 -1.674 157 1HD2 LEU 18 1HD2 LEU 18 -2.312 4.075 -1.711 158 2HD2 LEU 18 2HD2 LEU 18 -2.279 2.942 -3.062 159 3HD2 LEU 18 3HD2 LEU 18 -1.238 4.366 -3.078 160 H ARG 19 HN ARG 19 2.058 4.984 0.803 161 HA ARG 19 HA ARG 19 4.215 4.977 -1.063 162 1HB ARG 19 2HB ARG 19 3.668 6.320 1.583 163 2HB ARG 19 1HB ARG 19 5.152 6.643 0.685 164 1HG ARG 19 2HG ARG 19 2.581 6.780 -0.822 165 2HG ARG 19 1HG ARG 19 2.939 8.095 0.297 166 1HD ARG 19 2HD ARG 19 4.973 8.647 -0.842 167 2HD ARG 19 1HD ARG 19 4.932 7.141 -1.780 168 HE ARG 19 HE ARG 19 2.908 8.013 -2.928 169 1HH1 ARG 19 1HH1 ARG 19 5.300 9.985 -3.195 170 2HH1 ARG 19 2HH1 ARG 19 4.469 11.493 -3.001 171 1HH2 ARG 19 1HH2 ARG 19 1.587 10.048 -1.728 172 2HH2 ARG 19 2HH2 ARG 19 2.370 11.528 -2.171 173 H ASP 20 HN ASP 20 3.819 3.274 1.951 174 HA ASP 20 HA ASP 20 6.739 2.705 2.138 175 1HB ASP 20 2HB ASP 20 5.218 3.490 4.065 176 2HB ASP 20 1HB ASP 20 4.528 1.868 4.022 177 H PHE 21 HN PHE 21 3.600 1.123 1.607 178 HA PHE 21 HA PHE 21 4.508 -1.604 1.758 179 1HB PHE 21 2HB PHE 21 2.158 -0.892 1.846 180 2HB PHE 21 1HB PHE 21 2.227 -0.363 0.178 181 HD1 PHE 21 1HD PHE 21 2.139 -1.944 -1.649 182 HD2 PHE 21 2HD PHE 21 2.583 -3.260 2.408 183 HE1 PHE 21 1HE PHE 21 1.763 -4.289 -2.371 184 HE2 PHE 21 2HE PHE 21 2.183 -5.613 1.697 185 HZ PHE 21 HZ PHE 21 1.779 -6.123 -0.699 186 H ILE 22 HN ILE 22 3.450 -0.009 -1.245 187 HA ILE 22 HA ILE 22 4.646 -1.699 -3.111 188 HB ILE 22 HB ILE 22 4.176 1.300 -3.182 189 1HG1 ILE 22 2HG1 ILE 22 2.269 -0.007 -4.712 190 2HG1 ILE 22 1HG1 ILE 22 2.498 -1.110 -3.361 191 1HG2 ILE 22 1HG2 ILE 22 4.227 1.107 -5.600 192 2HG2 ILE 22 2HG2 ILE 22 4.445 -0.640 -5.493 193 3HG2 ILE 22 3HG2 ILE 22 5.737 0.444 -4.977 194 1HD1 ILE 22 1HD1 ILE 22 1.557 0.315 -1.872 195 2HD1 ILE 22 2HD1 ILE 22 0.828 1.031 -3.309 196 3HD1 ILE 22 3HD1 ILE 22 2.290 1.737 -2.621 197 H GLU 23 HN GLU 23 6.093 0.932 -1.277 198 HA GLU 23 HA GLU 23 8.606 1.067 -2.721 199 1HB GLU 23 2HB GLU 23 7.337 2.139 -0.293 200 2HB GLU 23 1HB GLU 23 9.073 1.892 -0.106 201 1HG GLU 23 2HG GLU 23 7.964 3.273 -2.546 202 2HG GLU 23 1HG GLU 23 8.270 4.168 -1.058 203 H LYS 24 HN LYS 24 7.400 -0.812 0.023 204 HA LYS 24 HA LYS 24 10.003 -2.058 0.578 205 1HB LYS 24 2HB LYS 24 7.235 -2.010 1.652 206 2HB LYS 24 1HB LYS 24 8.126 -3.508 1.923 207 1HG LYS 24 2HG LYS 24 10.052 -2.025 2.753 208 2HG LYS 24 1HG LYS 24 8.874 -0.712 2.793 209 1HD LYS 24 2HD LYS 24 8.759 -1.586 4.974 210 2HD LYS 24 1HD LYS 24 7.410 -2.377 4.160 211 1HE LYS 24 2HE LYS 24 8.380 -4.440 4.309 212 2HE LYS 24 1HE LYS 24 9.992 -3.808 3.920 213 1HZ LYS 24 1HZ LYS 24 8.583 -3.378 6.503 214 2HZ LYS 24 2HZ LYS 24 10.163 -2.883 6.117 215 3HZ LYS 24 3HZ LYS 24 9.803 -4.535 6.254 216 H PHE 25 HN PHE 25 6.821 -3.221 -0.612 217 HA PHE 25 HA PHE 25 7.980 -5.744 -1.507 218 1HB PHE 25 2HB PHE 25 5.737 -5.532 -0.468 219 2HB PHE 25 1HB PHE 25 5.222 -4.531 -1.827 220 HD1 PHE 25 1HD PHE 25 3.853 -5.675 -3.297 221 HD2 PHE 25 2HD PHE 25 7.155 -7.735 -1.489 222 HE1 PHE 25 1HE PHE 25 3.291 -7.710 -4.597 223 HE2 PHE 25 2HE PHE 25 6.596 -9.776 -2.787 224 HZ PHE 25 HZ PHE 25 4.663 -9.763 -4.341 225 H LYS 26 HN LYS 26 9.370 -3.892 -2.889 226 HA LYS 26 HA LYS 26 8.213 -2.908 -5.316 227 1HB LYS 26 2HB LYS 26 10.888 -3.307 -4.109 228 2HB LYS 26 1HB LYS 26 10.863 -3.169 -5.867 229 1HG LYS 26 2HG LYS 26 9.209 -1.134 -5.268 230 2HG LYS 26 1HG LYS 26 10.185 -1.139 -3.798 231 1HD LYS 26 2HD LYS 26 11.480 -1.234 -6.519 232 2HD LYS 26 1HD LYS 26 11.014 0.302 -5.786 233 1HE LYS 26 2HE LYS 26 12.337 -0.414 -3.722 234 2HE LYS 26 1HE LYS 26 12.988 -1.735 -4.714 235 1HZ LYS 26 1HZ LYS 26 14.408 0.196 -4.903 236 2HZ LYS 26 2HZ LYS 26 13.093 1.165 -5.360 237 3HZ LYS 26 3HZ LYS 26 13.626 -0.079 -6.386 238 H GLY 27 HN GLY 27 9.364 -6.051 -4.424 239 1HA GLY 27 2HA GLY 27 8.478 -7.902 -5.903 240 2HA GLY 27 1HA GLY 27 9.072 -6.948 -7.264 241 H ARG 28 HN ARG 28 10.269 -8.391 -4.218 242 HA ARG 28 HA ARG 28 12.800 -9.100 -5.672 243 1HB ARG 28 2HB ARG 28 12.520 -7.244 -3.695 244 2HB ARG 28 1HB ARG 28 12.842 -8.687 -2.733 245 1HG ARG 28 2HG ARG 28 14.984 -8.908 -3.527 246 2HG ARG 28 1HG ARG 28 14.572 -8.268 -5.117 247 1HD ARG 28 2HD ARG 28 14.669 -6.012 -4.361 248 2HD ARG 28 1HD ARG 28 14.620 -6.503 -2.656 249 HE ARG 28 HE ARG 28 16.931 -7.106 -4.468 250 1HH1 ARG 28 1HH2 ARG 28 17.323 -4.793 -2.699 251 2HH1 ARG 28 2HH2 ARG 28 18.029 -5.493 -1.282 252 1HH2 ARG 28 1HH1 ARG 28 17.065 -8.727 -2.076 253 2HH2 ARG 28 2HH1 ARG 28 17.883 -7.721 -0.929 Start of MODEL 13 1 1H GLU 1 1HT GLU 1 -12.810 8.944 5.091 2 2H GLU 1 2HT GLU 1 -12.033 7.451 5.329 3 3H GLU 1 3HT GLU 1 -13.640 7.668 5.839 4 HA GLU 1 HA GLU 1 -13.649 6.392 3.807 5 1HB GLU 1 2HB GLU 1 -15.160 8.509 4.467 6 2HB GLU 1 1HB GLU 1 -14.469 9.142 2.973 7 1HG GLU 1 2HG GLU 1 -15.127 6.700 2.092 8 2HG GLU 1 1HG GLU 1 -16.327 6.844 3.376 9 H GLN 2 HN GLN 2 -11.226 6.244 3.308 10 HA GLN 2 HA GLN 2 -10.393 8.162 1.164 11 1HB GLN 2 2HB GLN 2 -9.147 7.292 3.473 12 2HB GLN 2 1HB GLN 2 -8.440 6.236 2.251 13 1HG GLN 2 2HG GLN 2 -7.008 8.007 1.987 14 2HG GLN 2 1HG GLN 2 -8.297 8.590 0.934 15 1HE2 GLN 2 1HE2 GLN 2 -10.220 9.501 2.711 16 2HE2 GLN 2 2HE2 GLN 2 -9.586 10.736 3.688 17 H TYR 3 HN TYR 3 -8.906 6.980 -0.519 18 HA TYR 3 HA TYR 3 -10.397 5.145 -2.032 19 1HB TYR 3 2HB TYR 3 -8.185 4.766 -3.193 20 2HB TYR 3 1HB TYR 3 -8.642 6.455 -2.991 21 HD1 TYR 3 1HD TYR 3 -7.124 7.934 -2.082 22 HD2 TYR 3 2HD TYR 3 -6.746 3.751 -1.199 23 HE1 TYR 3 1HE TYR 3 -5.041 8.385 -0.834 24 HE2 TYR 3 2HE TYR 3 -4.667 4.205 0.042 25 HH TYR 3 HH TYR 3 -2.808 6.345 -0.186 26 H THR 4 HN THR 4 -10.200 2.877 -2.400 27 HA THR 4 HA THR 4 -9.107 1.352 -0.063 28 HB THR 4 HB THR 4 -10.783 -0.374 -1.011 29 HG1 THR 4 1HG THR 4 -10.946 0.740 -3.040 30 1HG2 THR 4 1HG2 THR 4 -11.137 1.913 0.664 31 2HG2 THR 4 2HG2 THR 4 -12.031 0.393 0.692 32 3HG2 THR 4 3HG2 THR 4 -12.594 1.728 -0.312 33 H ALA 5 HN ALA 5 -7.301 2.118 -2.123 34 HA ALA 5 HA ALA 5 -6.919 0.345 -4.272 35 1HB ALA 5 1HB ALA 5 -5.630 2.491 -3.208 36 2HB ALA 5 2HB ALA 5 -4.921 1.451 -4.445 37 3HB ALA 5 3HB ALA 5 -4.519 1.193 -2.741 38 H LYS 6 HN LYS 6 -6.391 -1.818 -4.321 39 HA LYS 6 HA LYS 6 -5.224 -3.008 -1.827 40 1HB LYS 6 2HB LYS 6 -7.570 -3.653 -2.831 41 2HB LYS 6 1HB LYS 6 -6.593 -4.607 -3.954 42 1HG LYS 6 2HG LYS 6 -5.827 -6.025 -2.302 43 2HG LYS 6 1HG LYS 6 -5.983 -4.804 -1.040 44 1HD LYS 6 2HD LYS 6 -8.298 -5.132 -0.826 45 2HD LYS 6 1HD LYS 6 -8.430 -5.892 -2.413 46 1HE LYS 6 2HE LYS 6 -7.233 -7.875 -1.608 47 2HE LYS 6 1HE LYS 6 -6.997 -7.108 -0.023 48 1HZ LYS 6 1HZ LYS 6 -9.367 -6.929 0.245 49 2HZ LYS 6 2HZ LYS 6 -8.978 -8.550 -0.081 50 3HZ LYS 6 3HZ LYS 6 -9.640 -7.569 -1.301 51 H TYR 7 HN TYR 7 -3.787 -4.916 -2.360 52 HA TYR 7 HA TYR 7 -2.345 -4.576 -4.962 53 1HB TYR 7 2HB TYR 7 -1.349 -4.295 -2.127 54 2HB TYR 7 1HB TYR 7 -0.239 -4.729 -3.426 55 HD1 TYR 7 1HD TYR 7 0.530 -3.116 -4.974 56 HD2 TYR 7 2HD TYR 7 -2.711 -2.173 -2.331 57 HE1 TYR 7 1HE TYR 7 0.675 -0.740 -5.651 58 HE2 TYR 7 2HE TYR 7 -2.598 0.204 -3.012 59 HH TYR 7 HH TYR 7 -1.562 1.360 -5.445 60 H LYS 8 HN LYS 8 -1.991 -6.435 -1.923 61 HA LYS 8 HA LYS 8 -2.200 -8.972 -3.497 62 1HB LYS 8 2HB LYS 8 0.187 -8.106 -2.978 63 2HB LYS 8 1HB LYS 8 -0.175 -8.502 -1.298 64 1HG LYS 8 2HG LYS 8 0.873 -10.450 -2.162 65 2HG LYS 8 1HG LYS 8 -0.850 -10.828 -2.168 66 1HD LYS 8 2HD LYS 8 -1.026 -10.371 -4.522 67 2HD LYS 8 1HD LYS 8 0.604 -9.697 -4.570 68 1HE LYS 8 2HE LYS 8 1.203 -11.803 -5.246 69 2HE LYS 8 1HE LYS 8 1.063 -12.210 -3.524 70 1HZ LYS 8 1HZ LYS 8 -1.305 -12.643 -3.876 71 2HZ LYS 8 2HZ LYS 8 -0.342 -13.667 -4.830 72 3HZ LYS 8 3HZ LYS 8 -1.121 -12.337 -5.537 73 H GLY 9 HN GLY 9 -4.250 -7.795 -1.967 74 1HA GLY 9 2HA GLY 9 -5.848 -8.882 -0.514 75 2HA GLY 9 1HA GLY 9 -4.521 -9.786 0.222 76 H ARG 10 HN ARG 10 -4.298 -6.336 -0.384 77 HA ARG 10 HA ARG 10 -4.830 -5.704 2.480 78 1HB ARG 10 2HB ARG 10 -2.250 -5.108 0.981 79 2HB ARG 10 1HB ARG 10 -2.607 -4.645 2.647 80 1HG ARG 10 2HG ARG 10 -2.924 -7.101 3.173 81 2HG ARG 10 1HG ARG 10 -2.304 -7.457 1.560 82 1HD ARG 10 2HD ARG 10 -0.181 -7.248 2.316 83 2HD ARG 10 1HD ARG 10 -0.519 -5.590 2.854 84 HE ARG 10 HE ARG 10 -1.092 -8.020 4.512 85 1HH1 ARG 10 1HH1 ARG 10 -1.803 -4.785 4.473 86 2HH1 ARG 10 2HH1 ARG 10 -1.062 -4.403 5.991 87 1HH2 ARG 10 1HH2 ARG 10 0.484 -7.489 6.317 88 2HH2 ARG 10 2HH2 ARG 10 0.234 -5.933 7.034 89 H THR 11 HN THR 11 -6.507 -4.215 1.940 90 HA THR 11 HA THR 11 -6.278 -2.334 -0.262 91 HB THR 11 HB THR 11 -8.029 -2.281 2.221 92 HG1 THR 11 1HG THR 11 -9.504 -3.356 0.821 93 1HG2 THR 11 1HG2 THR 11 -9.030 -0.475 1.315 94 2HG2 THR 11 2HG2 THR 11 -9.180 -1.279 -0.246 95 3HG2 THR 11 3HG2 THR 11 -7.705 -0.396 0.151 96 H PHE 12 HN PHE 12 -5.786 -0.036 -0.056 97 HA PHE 12 HA PHE 12 -4.362 0.698 2.479 98 1HB PHE 12 2HB PHE 12 -3.879 1.347 -0.448 99 2HB PHE 12 1HB PHE 12 -3.075 2.221 0.868 100 HD1 PHE 12 1HD PHE 12 -1.461 1.094 2.339 101 HD2 PHE 12 2HD PHE 12 -3.433 -0.963 -0.880 102 HE1 PHE 12 1HE PHE 12 0.156 -0.783 2.546 103 HE2 PHE 12 2HE PHE 12 -1.832 -2.864 -0.643 104 HZ PHE 12 HZ PHE 12 -0.040 -2.758 1.062 105 H ARG 13 HN ARG 13 -5.299 2.322 3.597 106 HA ARG 13 HA ARG 13 -7.104 4.226 2.142 107 1HB ARG 13 2HB ARG 13 -8.317 4.341 4.316 108 2HB ARG 13 1HB ARG 13 -8.269 2.699 3.683 109 1HG ARG 13 2HG ARG 13 -7.048 1.943 5.436 110 2HG ARG 13 1HG ARG 13 -5.953 3.324 5.375 111 1HD ARG 13 2HD ARG 13 -8.143 4.576 6.333 112 2HD ARG 13 1HD ARG 13 -8.429 2.951 6.989 113 HE ARG 13 HE ARG 13 -5.721 4.114 7.301 114 1HH1 ARG 13 1HH1 ARG 13 -7.418 1.752 8.648 115 2HH1 ARG 13 2HH1 ARG 13 -7.460 2.366 10.267 116 1HH2 ARG 13 1HH2 ARG 13 -6.342 5.526 9.381 117 2HH2 ARG 13 2HH2 ARG 13 -6.853 4.502 10.682 118 H ASN 14 HN ASN 14 -4.201 4.454 2.545 119 HA ASN 14 HA ASN 14 -4.087 7.163 3.615 120 1HB ASN 14 2HB ASN 14 -4.158 5.402 5.569 121 2HB ASN 14 1HB ASN 14 -2.476 5.116 5.127 122 1HD2 ASN 14 1HD2 ASN 14 -0.922 6.755 5.630 123 2HD2 ASN 14 2HD2 ASN 14 -1.314 8.153 6.506 124 H GLU 15 HN GLU 15 -2.490 8.147 2.443 125 HA GLU 15 HA GLU 15 -0.867 6.821 0.530 126 1HB GLU 15 2HB GLU 15 -1.554 9.379 1.150 127 2HB GLU 15 1HB GLU 15 0.125 9.364 1.694 128 1HG GLU 15 2HG GLU 15 0.674 8.299 -0.585 129 2HG GLU 15 1HG GLU 15 -0.947 8.797 -1.073 130 H LYS 16 HN LYS 16 -0.003 7.977 3.805 131 HA LYS 16 HA LYS 16 2.735 7.371 3.811 132 1HB LYS 16 2HB LYS 16 1.107 8.488 5.536 133 2HB LYS 16 1HB LYS 16 0.988 6.854 6.190 134 1HG LYS 16 2HG LYS 16 3.442 6.765 6.427 135 2HG LYS 16 1HG LYS 16 3.566 8.399 5.775 136 1HD LYS 16 2HD LYS 16 1.854 7.802 8.187 137 2HD LYS 16 1HD LYS 16 3.576 8.145 8.348 138 1HE LYS 16 2HE LYS 16 3.316 10.366 7.815 139 2HE LYS 16 1HE LYS 16 2.015 10.036 6.653 140 1HZ LYS 16 1HZ LYS 16 1.797 9.866 9.613 141 2HZ LYS 16 2HZ LYS 16 0.561 9.473 8.515 142 3HZ LYS 16 3HZ LYS 16 1.117 11.074 8.637 143 H GLU 17 HN GLU 17 0.011 5.286 4.531 144 HA GLU 17 HA GLU 17 1.448 2.952 5.368 145 1HB GLU 17 2HB GLU 17 -1.266 3.702 4.430 146 2HB GLU 17 1HB GLU 17 -0.854 2.003 4.224 147 1HG GLU 17 2HG GLU 17 -0.675 3.553 6.820 148 2HG GLU 17 1HG GLU 17 -1.934 2.397 6.389 149 H LEU 18 HN LEU 18 -0.322 3.274 2.302 150 HA LEU 18 HA LEU 18 0.850 1.127 0.962 151 1HB LEU 18 2HB LEU 18 -1.154 2.321 0.238 152 2HB LEU 18 1HB LEU 18 -0.199 3.763 -0.105 153 HG LEU 18 HG LEU 18 1.069 2.509 -1.818 154 1HD1 LEU 18 1HD1 LEU 18 0.725 0.253 -0.718 155 2HD1 LEU 18 2HD1 LEU 18 0.449 0.262 -2.450 156 3HD1 LEU 18 3HD1 LEU 18 -0.917 0.269 -1.342 157 1HD2 LEU 18 1HD2 LEU 18 -1.434 3.566 -2.045 158 2HD2 LEU 18 2HD2 LEU 18 -1.724 1.923 -2.615 159 3HD2 LEU 18 3HD2 LEU 18 -0.515 2.930 -3.408 160 H ARG 19 HN ARG 19 1.997 4.543 0.942 161 HA ARG 19 HA ARG 19 4.077 4.242 -0.962 162 1HB ARG 19 2HB ARG 19 3.747 5.925 1.539 163 2HB ARG 19 1HB ARG 19 5.139 6.112 0.473 164 1HG ARG 19 2HG ARG 19 3.637 6.556 -1.429 165 2HG ARG 19 1HG ARG 19 2.238 6.362 -0.372 166 1HD ARG 19 2HD ARG 19 2.760 8.755 -0.635 167 2HD ARG 19 1HD ARG 19 3.096 8.257 1.035 168 HE ARG 19 HE ARG 19 5.490 8.113 0.430 169 1HH1 ARG 19 1HH1 ARG 19 3.753 10.640 -0.760 170 2HH1 ARG 19 2HH1 ARG 19 4.809 11.016 -2.081 171 1HH2 ARG 19 1HH2 ARG 19 6.692 8.125 -1.746 172 2HH2 ARG 19 2HH2 ARG 19 6.472 9.593 -2.639 173 H ASP 20 HN ASP 20 3.916 3.278 2.426 174 HA ASP 20 HA ASP 20 6.747 2.546 2.651 175 1HB ASP 20 2HB ASP 20 4.258 2.536 4.262 176 2HB ASP 20 1HB ASP 20 5.355 1.199 4.619 177 H PHE 21 HN PHE 21 3.659 0.984 1.988 178 HA PHE 21 HA PHE 21 4.506 -1.773 1.848 179 1HB PHE 21 2HB PHE 21 2.177 -1.103 1.977 180 2HB PHE 21 1HB PHE 21 2.304 -0.154 0.512 181 HD1 PHE 21 1HD PHE 21 2.071 -1.148 -1.658 182 HD2 PHE 21 2HD PHE 21 2.552 -3.557 1.873 183 HE1 PHE 21 1HE PHE 21 1.562 -3.202 -2.971 184 HE2 PHE 21 2HE PHE 21 2.025 -5.608 0.558 185 HZ PHE 21 HZ PHE 21 1.535 -5.423 -1.868 186 H ILE 22 HN ILE 22 3.706 0.487 -0.722 187 HA ILE 22 HA ILE 22 4.527 -0.816 -3.031 188 HB ILE 22 HB ILE 22 4.743 2.103 -2.215 189 1HG1 ILE 22 2HG1 ILE 22 2.484 1.027 -2.029 190 2HG1 ILE 22 1HG1 ILE 22 2.532 2.286 -3.258 191 1HG2 ILE 22 1HG2 ILE 22 4.666 2.608 -4.620 192 2HG2 ILE 22 2HG2 ILE 22 4.669 0.882 -4.984 193 3HG2 ILE 22 3HG2 ILE 22 6.086 1.628 -4.245 194 1HD1 ILE 22 1HD1 ILE 22 1.915 -0.520 -3.534 195 2HD1 ILE 22 2HD1 ILE 22 3.277 -0.097 -4.567 196 3HD1 ILE 22 3HD1 ILE 22 1.753 0.775 -4.718 197 H GLU 23 HN GLU 23 6.527 0.797 -0.628 198 HA GLU 23 HA GLU 23 8.998 0.819 -2.157 199 1HB GLU 23 2HB GLU 23 8.016 1.402 0.563 200 2HB GLU 23 1HB GLU 23 9.682 0.825 0.521 201 1HG GLU 23 2HG GLU 23 9.405 2.696 -1.611 202 2HG GLU 23 1HG GLU 23 8.662 3.427 -0.190 203 H LYS 24 HN LYS 24 7.819 -1.284 0.501 204 HA LYS 24 HA LYS 24 10.003 -3.168 0.324 205 1HB LYS 24 2HB LYS 24 7.164 -3.395 1.389 206 2HB LYS 24 1HB LYS 24 8.460 -4.541 1.734 207 1HG LYS 24 2HG LYS 24 9.637 -3.024 3.055 208 2HG LYS 24 1HG LYS 24 8.904 -1.622 2.273 209 1HD LYS 24 2HD LYS 24 6.690 -2.803 3.326 210 2HD LYS 24 1HD LYS 24 7.898 -3.272 4.520 211 1HE LYS 24 2HE LYS 24 8.454 -0.566 4.016 212 2HE LYS 24 1HE LYS 24 6.683 -0.659 4.082 213 1HZ LYS 24 1HZ LYS 24 7.499 -0.448 6.308 214 2HZ LYS 24 2HZ LYS 24 8.601 -1.718 6.088 215 3HZ LYS 24 3HZ LYS 24 6.933 -2.038 6.108 216 H PHE 25 HN PHE 25 6.619 -3.314 -0.822 217 HA PHE 25 HA PHE 25 7.158 -5.701 -2.413 218 1HB PHE 25 2HB PHE 25 5.072 -5.197 -1.053 219 2HB PHE 25 1HB PHE 25 4.674 -3.980 -2.264 220 HD1 PHE 25 1HD PHE 25 2.927 -4.757 -3.571 221 HD2 PHE 25 2HD PHE 25 6.119 -7.439 -2.549 222 HE1 PHE 25 1HE PHE 25 1.920 -6.505 -5.017 223 HE2 PHE 25 2HE PHE 25 5.115 -9.189 -3.992 224 HZ PHE 25 HZ PHE 25 3.015 -8.721 -5.226 225 H LYS 26 HN LYS 26 8.848 -4.030 -3.525 226 HA LYS 26 HA LYS 26 7.980 -2.074 -5.378 227 1HB LYS 26 2HB LYS 26 10.315 -4.001 -5.408 228 2HB LYS 26 1HB LYS 26 10.185 -2.599 -6.471 229 1HG LYS 26 2HG LYS 26 9.760 -1.323 -4.184 230 2HG LYS 26 1HG LYS 26 10.636 -2.699 -3.514 231 1HD LYS 26 2HD LYS 26 12.539 -2.272 -4.941 232 2HD LYS 26 1HD LYS 26 11.654 -1.029 -5.828 233 1HE LYS 26 2HE LYS 26 11.796 -0.630 -2.887 234 2HE LYS 26 1HE LYS 26 13.324 -0.442 -3.770 235 1HZ LYS 26 1HZ LYS 26 12.202 1.004 -5.346 236 2HZ LYS 26 2HZ LYS 26 12.054 1.627 -3.772 237 3HZ LYS 26 3HZ LYS 26 10.740 0.837 -4.495 238 H GLY 27 HN GLY 27 7.672 -5.516 -5.548 239 1HA GLY 27 2HA GLY 27 7.681 -5.990 -8.330 240 2HA GLY 27 1HA GLY 27 6.716 -6.907 -7.174 241 H ARG 28 HN ARG 28 4.567 -6.086 -6.646 242 HA ARG 28 HA ARG 28 3.405 -4.449 -8.871 243 1HB ARG 28 2HB ARG 28 2.793 -6.911 -8.478 244 2HB ARG 28 1HB ARG 28 1.989 -6.365 -7.005 245 1HG ARG 28 2HG ARG 28 0.347 -5.213 -8.161 246 2HG ARG 28 1HG ARG 28 1.379 -4.943 -9.567 247 1HD ARG 28 2HD ARG 28 0.991 -7.083 -10.430 248 2HD ARG 28 1HD ARG 28 0.556 -7.747 -8.842 249 HE ARG 28 HE ARG 28 -1.426 -5.985 -9.083 250 1HH1 ARG 28 1HH1 ARG 28 -0.050 -6.520 -12.035 251 2HH1 ARG 28 2HH1 ARG 28 -1.437 -7.245 -12.777 252 1HH2 ARG 28 1HH2 ARG 28 -3.204 -7.538 -9.809 253 2HH2 ARG 28 2HH2 ARG 28 -3.221 -7.822 -11.518 Start of MODEL 14 1 1H GLU 1 1HT GLU 1 -9.954 6.959 7.018 2 2H GLU 1 2HT GLU 1 -11.329 6.932 8.017 3 3H GLU 1 3HT GLU 1 -10.764 8.404 7.383 4 HA GLU 1 HA GLU 1 -12.032 6.168 5.889 5 1HB GLU 1 2HB GLU 1 -13.248 7.991 7.318 6 2HB GLU 1 1HB GLU 1 -12.791 9.082 6.008 7 1HG GLU 1 2HG GLU 1 -14.841 8.351 5.216 8 2HG GLU 1 1HG GLU 1 -13.786 7.131 4.501 9 H GLN 2 HN GLN 2 -10.757 5.839 4.087 10 HA GLN 2 HA GLN 2 -10.190 8.181 2.343 11 1HB GLN 2 2HB GLN 2 -8.307 7.260 4.094 12 2HB GLN 2 1HB GLN 2 -7.960 6.255 2.686 13 1HG GLN 2 2HG GLN 2 -7.484 8.110 1.321 14 2HG GLN 2 1HG GLN 2 -8.341 9.228 2.383 15 1HE2 GLN 2 1HE2 GLN 2 -7.310 9.295 4.734 16 2HE2 GLN 2 2HE2 GLN 2 -5.613 9.330 4.786 17 H TYR 3 HN TYR 3 -8.919 7.086 0.286 18 HA TYR 3 HA TYR 3 -10.765 5.491 -1.105 19 1HB TYR 3 2HB TYR 3 -8.803 5.079 -2.636 20 2HB TYR 3 1HB TYR 3 -9.076 6.770 -2.222 21 HD1 TYR 3 1HD TYR 3 -7.311 8.041 -1.455 22 HD2 TYR 3 2HD TYR 3 -7.163 3.775 -0.989 23 HE1 TYR 3 1HE TYR 3 -5.026 8.218 -0.534 24 HE2 TYR 3 2HE TYR 3 -4.885 3.957 -0.074 25 HH TYR 3 HH TYR 3 -2.927 5.747 -0.338 26 H THR 4 HN THR 4 -9.981 3.245 -2.110 27 HA THR 4 HA THR 4 -8.970 1.488 0.095 28 HB THR 4 HB THR 4 -10.819 -0.103 -0.697 29 HG1 THR 4 1HG THR 4 -11.841 0.574 -2.383 30 1HG2 THR 4 1HG2 THR 4 -10.987 1.155 1.399 31 2HG2 THR 4 2HG2 THR 4 -12.559 1.096 0.602 32 3HG2 THR 4 3HG2 THR 4 -11.585 2.564 0.522 33 H ALA 5 HN ALA 5 -7.054 1.908 -1.536 34 HA ALA 5 HA ALA 5 -7.097 0.527 -4.078 35 1HB ALA 5 1HB ALA 5 -5.632 2.503 -3.112 36 2HB ALA 5 2HB ALA 5 -4.919 1.359 -4.251 37 3HB ALA 5 3HB ALA 5 -4.622 1.180 -2.518 38 H LYS 6 HN LYS 6 -6.683 -1.666 -4.375 39 HA LYS 6 HA LYS 6 -5.618 -3.181 -2.014 40 1HB LYS 6 2HB LYS 6 -6.785 -5.117 -3.097 41 2HB LYS 6 1HB LYS 6 -7.880 -3.805 -2.664 42 1HG LYS 6 2HG LYS 6 -8.092 -3.083 -4.896 43 2HG LYS 6 1HG LYS 6 -6.648 -3.955 -5.409 44 1HD LYS 6 2HD LYS 6 -7.756 -5.954 -5.597 45 2HD LYS 6 1HD LYS 6 -8.826 -5.604 -4.239 46 1HE LYS 6 2HE LYS 6 -10.187 -4.127 -5.612 47 2HE LYS 6 1HE LYS 6 -9.048 -4.278 -6.965 48 1HZ LYS 6 1HZ LYS 6 -10.421 -6.579 -5.683 49 2HZ LYS 6 2HZ LYS 6 -9.463 -6.611 -7.086 50 3HZ LYS 6 3HZ LYS 6 -10.967 -5.828 -7.106 51 H TYR 7 HN TYR 7 -3.887 -4.602 -2.336 52 HA TYR 7 HA TYR 7 -2.581 -4.513 -5.037 53 1HB TYR 7 2HB TYR 7 -1.519 -4.191 -2.229 54 2HB TYR 7 1HB TYR 7 -0.452 -4.602 -3.575 55 HD1 TYR 7 1HD TYR 7 0.386 -2.920 -4.946 56 HD2 TYR 7 2HD TYR 7 -3.103 -2.175 -2.579 57 HE1 TYR 7 1HE TYR 7 0.436 -0.548 -5.643 58 HE2 TYR 7 2HE TYR 7 -3.085 0.204 -3.274 59 HH TYR 7 HH TYR 7 -2.210 1.558 -5.146 60 H LYS 8 HN LYS 8 -1.727 -6.254 -2.050 61 HA LYS 8 HA LYS 8 -2.058 -8.845 -3.534 62 1HB LYS 8 2HB LYS 8 0.022 -7.674 -1.729 63 2HB LYS 8 1HB LYS 8 -0.252 -9.414 -1.632 64 1HG LYS 8 2HG LYS 8 0.038 -8.151 -4.334 65 2HG LYS 8 1HG LYS 8 1.487 -8.434 -3.369 66 1HD LYS 8 2HD LYS 8 0.328 -10.826 -3.040 67 2HD LYS 8 1HD LYS 8 -0.386 -10.403 -4.596 68 1HE LYS 8 2HE LYS 8 1.587 -11.386 -5.338 69 2HE LYS 8 1HE LYS 8 2.165 -9.721 -5.127 70 1HZ LYS 8 1HZ LYS 8 2.278 -11.888 -3.095 71 2HZ LYS 8 2HZ LYS 8 2.742 -10.279 -2.826 72 3HZ LYS 8 3HZ LYS 8 3.602 -11.237 -3.935 73 H GLY 9 HN GLY 9 -4.320 -7.971 -2.330 74 1HA GLY 9 2HA GLY 9 -5.951 -8.877 -0.865 75 2HA GLY 9 1HA GLY 9 -4.692 -9.876 -0.131 76 H ARG 10 HN ARG 10 -4.387 -6.405 -0.574 77 HA ARG 10 HA ARG 10 -4.919 -5.901 2.316 78 1HB ARG 10 2HB ARG 10 -2.333 -5.238 0.854 79 2HB ARG 10 1HB ARG 10 -2.691 -4.870 2.542 80 1HG ARG 10 2HG ARG 10 -3.004 -7.345 2.938 81 2HG ARG 10 1HG ARG 10 -2.400 -7.620 1.304 82 1HD ARG 10 2HD ARG 10 -0.460 -7.825 2.659 83 2HD ARG 10 1HD ARG 10 -0.369 -6.154 2.064 84 HE ARG 10 HE ARG 10 -1.242 -6.961 4.794 85 1HH1 ARG 10 1HH2 ARG 10 0.923 -4.964 3.516 86 2HH1 ARG 10 2HH2 ARG 10 0.295 -3.479 4.146 87 1HH2 ARG 10 1HH1 ARG 10 -2.720 -4.870 5.144 88 2HH2 ARG 10 2HH1 ARG 10 -1.768 -3.425 5.069 89 H THR 11 HN THR 11 -6.604 -4.404 1.816 90 HA THR 11 HA THR 11 -6.441 -2.470 -0.307 91 HB THR 11 HB THR 11 -8.026 -2.417 2.283 92 HG1 THR 11 1HG THR 11 -8.616 -4.239 1.278 93 1HG2 THR 11 1HG2 THR 11 -8.413 -0.314 1.424 94 2HG2 THR 11 2HG2 THR 11 -9.596 -1.210 0.469 95 3HG2 THR 11 3HG2 THR 11 -8.025 -0.803 -0.224 96 H PHE 12 HN PHE 12 -6.208 -0.072 0.059 97 HA PHE 12 HA PHE 12 -4.473 0.579 2.413 98 1HB PHE 12 2HB PHE 12 -4.148 1.156 -0.545 99 2HB PHE 12 1HB PHE 12 -3.319 2.127 0.682 100 HD1 PHE 12 1HD PHE 12 -1.606 1.128 2.152 101 HD2 PHE 12 2HD PHE 12 -3.610 -1.150 -0.893 102 HE1 PHE 12 1HE PHE 12 0.115 -0.661 2.348 103 HE2 PHE 12 2HE PHE 12 -1.911 -2.955 -0.669 104 HZ PHE 12 HZ PHE 12 -0.050 -2.698 0.939 105 H ARG 13 HN ARG 13 -5.210 2.292 3.548 106 HA ARG 13 HA ARG 13 -7.083 4.220 2.214 107 1HB ARG 13 2HB ARG 13 -8.239 4.297 4.426 108 2HB ARG 13 1HB ARG 13 -8.243 2.672 3.745 109 1HG ARG 13 2HG ARG 13 -6.337 2.046 5.158 110 2HG ARG 13 1HG ARG 13 -6.256 3.684 5.803 111 1HD ARG 13 2HD ARG 13 -7.668 2.971 7.438 112 2HD ARG 13 1HD ARG 13 -8.932 2.911 6.195 113 HE ARG 13 HE ARG 13 -8.479 0.551 5.896 114 1HH1 ARG 13 1HH2 ARG 13 -5.591 1.561 7.107 115 2HH1 ARG 13 2HH2 ARG 13 -5.438 0.341 8.326 116 1HH2 ARG 13 1HH1 ARG 13 -8.692 -0.801 7.970 117 2HH2 ARG 13 2HH1 ARG 13 -7.193 -0.997 8.816 118 H ASN 14 HN ASN 14 -4.196 4.420 2.476 119 HA ASN 14 HA ASN 14 -3.987 7.057 3.703 120 1HB ASN 14 2HB ASN 14 -3.961 5.722 5.715 121 2HB ASN 14 1HB ASN 14 -2.811 4.583 5.017 122 1HD2 ASN 14 1HD2 ASN 14 -3.060 8.098 5.735 123 2HD2 ASN 14 2HD2 ASN 14 -1.446 8.268 6.234 124 H GLU 15 HN GLU 15 -2.350 8.128 2.651 125 HA GLU 15 HA GLU 15 -0.875 6.910 0.506 126 1HB GLU 15 2HB GLU 15 -1.554 9.427 1.314 127 2HB GLU 15 1HB GLU 15 0.154 9.397 1.754 128 1HG GLU 15 2HG GLU 15 0.436 8.359 -0.663 129 2HG GLU 15 1HG GLU 15 -1.109 9.156 -0.956 130 H LYS 16 HN LYS 16 0.091 7.904 3.798 131 HA LYS 16 HA LYS 16 2.836 7.301 3.684 132 1HB LYS 16 2HB LYS 16 1.187 8.323 5.506 133 2HB LYS 16 1HB LYS 16 1.238 6.672 6.125 134 1HG LYS 16 2HG LYS 16 3.607 6.752 6.420 135 2HG LYS 16 1HG LYS 16 3.744 8.239 5.479 136 1HD LYS 16 2HD LYS 16 2.067 8.154 7.982 137 2HD LYS 16 1HD LYS 16 3.809 8.420 8.074 138 1HE LYS 16 2HE LYS 16 3.630 10.554 7.291 139 2HE LYS 16 1HE LYS 16 2.463 10.084 6.039 140 1HZ LYS 16 1HZ LYS 16 1.804 10.197 8.931 141 2HZ LYS 16 2HZ LYS 16 0.726 9.997 7.634 142 3HZ LYS 16 3HZ LYS 16 1.516 11.483 7.865 143 H GLU 17 HN GLU 17 0.109 5.234 4.432 144 HA GLU 17 HA GLU 17 1.512 2.845 5.142 145 1HB GLU 17 2HB GLU 17 -1.203 3.626 4.158 146 2HB GLU 17 1HB GLU 17 -0.786 1.916 4.100 147 1HG GLU 17 2HG GLU 17 -0.652 3.675 6.563 148 2HG GLU 17 1HG GLU 17 -1.908 2.489 6.205 149 H LEU 18 HN LEU 18 -0.305 3.321 2.135 150 HA LEU 18 HA LEU 18 0.762 1.224 0.652 151 1HB LEU 18 2HB LEU 18 -1.199 2.733 0.159 152 2HB LEU 18 1HB LEU 18 -0.047 3.942 -0.406 153 HG LEU 18 HG LEU 18 0.844 2.206 -2.005 154 1HD1 LEU 18 1HD1 LEU 18 -0.352 0.342 -0.573 155 2HD1 LEU 18 2HD1 LEU 18 -0.236 0.158 -2.315 156 3HD1 LEU 18 3HD1 LEU 18 -1.733 0.731 -1.586 157 1HD2 LEU 18 1HD2 LEU 18 -2.023 2.459 -2.705 158 2HD2 LEU 18 2HD2 LEU 18 -0.597 2.973 -3.604 159 3HD2 LEU 18 3HD2 LEU 18 -1.213 3.968 -2.286 160 H ARG 19 HN ARG 19 1.995 4.613 0.651 161 HA ARG 19 HA ARG 19 4.063 4.276 -1.247 162 1HB ARG 19 2HB ARG 19 3.739 5.952 1.249 163 2HB ARG 19 1HB ARG 19 5.177 6.095 0.241 164 1HG ARG 19 2HG ARG 19 3.350 6.262 -1.699 165 2HG ARG 19 1HG ARG 19 2.357 6.859 -0.368 166 1HD ARG 19 2HD ARG 19 5.092 7.962 -1.114 167 2HD ARG 19 1HD ARG 19 3.539 8.728 -1.505 168 HE ARG 19 HE ARG 19 4.418 8.185 1.309 169 1HH1 ARG 19 1HH1 ARG 19 4.139 10.710 -0.793 170 2HH1 ARG 19 2HH1 ARG 19 3.015 11.635 0.147 171 1HH2 ARG 19 1HH2 ARG 19 2.380 9.075 2.397 172 2HH2 ARG 19 2HH2 ARG 19 2.019 10.709 1.951 173 H ASP 20 HN ASP 20 3.957 3.354 2.170 174 HA ASP 20 HA ASP 20 6.765 2.563 2.351 175 1HB ASP 20 2HB ASP 20 4.278 2.514 3.973 176 2HB ASP 20 1HB ASP 20 5.417 1.214 4.325 177 H PHE 21 HN PHE 21 3.654 0.988 1.786 178 HA PHE 21 HA PHE 21 4.493 -1.757 1.590 179 1HB PHE 21 2HB PHE 21 2.168 -1.081 1.761 180 2HB PHE 21 1HB PHE 21 2.273 -0.127 0.297 181 HD1 PHE 21 1HD PHE 21 1.999 -1.113 -1.868 182 HD2 PHE 21 2HD PHE 21 2.541 -3.539 1.637 183 HE1 PHE 21 1HE PHE 21 1.449 -3.155 -3.184 184 HE2 PHE 21 2HE PHE 21 1.991 -5.584 0.320 185 HZ PHE 21 HZ PHE 21 1.445 -5.383 -2.093 186 H ILE 22 HN ILE 22 3.653 0.505 -0.970 187 HA ILE 22 HA ILE 22 4.439 -0.808 -3.288 188 HB ILE 22 HB ILE 22 4.691 2.118 -2.509 189 1HG1 ILE 22 2HG1 ILE 22 2.429 1.050 -2.243 190 2HG1 ILE 22 1HG1 ILE 22 2.451 2.318 -3.462 191 1HG2 ILE 22 1HG2 ILE 22 4.558 2.592 -4.914 192 2HG2 ILE 22 2HG2 ILE 22 4.512 0.862 -5.260 193 3HG2 ILE 22 3HG2 ILE 22 5.967 1.585 -4.573 194 1HD1 ILE 22 1HD1 ILE 22 1.745 -0.446 -3.734 195 2HD1 ILE 22 2HD1 ILE 22 3.124 -0.103 -4.774 196 3HD1 ILE 22 3HD1 ILE 22 1.646 0.842 -4.934 197 H GLU 23 HN GLU 23 6.468 0.819 -0.919 198 HA GLU 23 HA GLU 23 8.921 0.532 -2.557 199 1HB GLU 23 2HB GLU 23 8.305 2.515 -1.075 200 2HB GLU 23 1HB GLU 23 8.585 1.461 0.310 201 1HG GLU 23 2HG GLU 23 10.635 2.659 -0.081 202 2HG GLU 23 1HG GLU 23 10.892 1.003 -0.632 203 H LYS 24 HN LYS 24 7.485 -0.804 0.417 204 HA LYS 24 HA LYS 24 9.694 -2.476 1.177 205 1HB LYS 24 2HB LYS 24 7.558 -1.751 2.451 206 2HB LYS 24 1HB LYS 24 6.763 -3.083 1.612 207 1HG LYS 24 2HG LYS 24 7.474 -4.244 3.463 208 2HG LYS 24 1HG LYS 24 8.941 -4.390 2.496 209 1HD LYS 24 2HD LYS 24 9.671 -3.626 4.632 210 2HD LYS 24 1HD LYS 24 9.702 -2.202 3.590 211 1HE LYS 24 2HE LYS 24 7.604 -1.402 4.490 212 2HE LYS 24 1HE LYS 24 7.354 -2.917 5.380 213 1HZ LYS 24 1HZ LYS 24 8.317 -1.312 6.862 214 2HZ LYS 24 2HZ LYS 24 9.573 -0.980 5.766 215 3HZ LYS 24 3HZ LYS 24 9.487 -2.496 6.520 216 H PHE 25 HN PHE 25 6.739 -3.158 -0.709 217 HA PHE 25 HA PHE 25 7.270 -5.874 -1.291 218 1HB PHE 25 2HB PHE 25 5.086 -4.932 -1.596 219 2HB PHE 25 1HB PHE 25 5.705 -3.685 -2.671 220 HD1 PHE 25 1HD PHE 25 4.986 -3.978 -4.840 221 HD2 PHE 25 2HD PHE 25 6.052 -7.436 -2.529 222 HE1 PHE 25 1HE PHE 25 4.572 -5.411 -6.814 223 HE2 PHE 25 2HE PHE 25 5.631 -8.882 -4.503 224 HZ PHE 25 HZ PHE 25 4.892 -7.871 -6.646 225 H LYS 26 HN LYS 26 7.198 -3.914 -4.165 226 HA LYS 26 HA LYS 26 10.055 -4.272 -4.743 227 1HB LYS 26 2HB LYS 26 7.718 -5.542 -6.163 228 2HB LYS 26 1HB LYS 26 9.351 -5.507 -6.841 229 1HG LYS 26 2HG LYS 26 10.085 -6.589 -4.622 230 2HG LYS 26 1HG LYS 26 8.369 -6.896 -4.352 231 1HD LYS 26 2HD LYS 26 8.290 -8.049 -6.584 232 2HD LYS 26 1HD LYS 26 10.043 -7.874 -6.683 233 1HE LYS 26 2HE LYS 26 10.342 -9.221 -4.669 234 2HE LYS 26 1HE LYS 26 8.586 -9.306 -4.431 235 1HZ LYS 26 1HZ LYS 26 9.369 -11.264 -5.609 236 2HZ LYS 26 2HZ LYS 26 10.067 -10.289 -6.813 237 3HZ LYS 26 3HZ LYS 26 8.382 -10.324 -6.624 238 H GLY 27 HN GLY 27 7.156 -3.773 -6.685 239 1HA GLY 27 2HA GLY 27 6.332 -1.717 -7.598 240 2HA GLY 27 1HA GLY 27 7.861 -0.943 -7.170 241 H ARG 28 HN ARG 28 9.516 -3.070 -8.343 242 HA ARG 28 HA ARG 28 9.560 -2.110 -11.100 243 1HB ARG 28 2HB ARG 28 11.468 -2.812 -9.452 244 2HB ARG 28 1HB ARG 28 11.108 -4.450 -9.998 245 1HG ARG 28 2HG ARG 28 11.294 -3.469 -12.391 246 2HG ARG 28 1HG ARG 28 12.109 -2.111 -11.614 247 1HD ARG 28 2HD ARG 28 13.653 -3.831 -10.513 248 2HD ARG 28 1HD ARG 28 12.969 -5.016 -11.644 249 HE ARG 28 HE ARG 28 14.729 -2.783 -12.363 250 1HH1 ARG 28 1HH2 ARG 28 12.377 -2.433 -14.131 251 2HH1 ARG 28 2HH2 ARG 28 12.746 -3.472 -15.467 252 1HH2 ARG 28 1HH1 ARG 28 15.186 -5.247 -13.757 253 2HH2 ARG 28 2HH1 ARG 28 14.335 -5.066 -15.255 Start of MODEL 15 1 1H GLU 1 1HT GLU 1 -10.934 9.355 6.457 2 2H GLU 1 2HT GLU 1 -10.033 7.920 6.579 3 3H GLU 1 3HT GLU 1 -11.527 8.059 7.376 4 HA GLU 1 HA GLU 1 -11.810 6.714 5.399 5 1HB GLU 1 2HB GLU 1 -13.543 8.309 6.251 6 2HB GLU 1 1HB GLU 1 -12.917 9.529 5.140 7 1HG GLU 1 2HG GLU 1 -13.793 8.494 3.290 8 2HG GLU 1 1HG GLU 1 -13.580 6.878 3.964 9 H GLN 2 HN GLN 2 -10.561 6.217 3.645 10 HA GLN 2 HA GLN 2 -9.865 8.384 1.716 11 1HB GLN 2 2HB GLN 2 -8.087 6.951 3.536 12 2HB GLN 2 1HB GLN 2 -7.607 6.713 1.858 13 1HG GLN 2 2HG GLN 2 -8.118 9.409 3.152 14 2HG GLN 2 1HG GLN 2 -6.526 8.713 2.854 15 1HE2 GLN 2 1HE2 GLN 2 -6.748 11.047 1.596 16 2HE2 GLN 2 2HE2 GLN 2 -7.109 10.880 -0.054 17 H TYR 3 HN TYR 3 -8.675 7.175 -0.233 18 HA TYR 3 HA TYR 3 -10.490 5.541 -1.586 19 1HB TYR 3 2HB TYR 3 -8.467 4.975 -3.000 20 2HB TYR 3 1HB TYR 3 -8.730 6.695 -2.715 21 HD1 TYR 3 1HD TYR 3 -6.975 7.990 -1.958 22 HD2 TYR 3 2HD TYR 3 -6.930 3.770 -1.178 23 HE1 TYR 3 1HE TYR 3 -4.735 8.199 -0.935 24 HE2 TYR 3 2HE TYR 3 -4.696 3.981 -0.170 25 HH TYR 3 HH TYR 3 -2.761 6.729 -0.525 26 H THR 4 HN THR 4 -9.833 3.231 -2.430 27 HA THR 4 HA THR 4 -8.947 1.536 -0.120 28 HB THR 4 HB THR 4 -10.787 -0.042 -1.009 29 HG1 THR 4 1HG THR 4 -11.736 0.659 -2.723 30 1HG2 THR 4 1HG2 THR 4 -11.104 2.507 0.488 31 2HG2 THR 4 2HG2 THR 4 -11.427 0.852 1.002 32 3HG2 THR 4 3HG2 THR 4 -12.587 1.700 -0.021 33 H ALA 5 HN ALA 5 -6.960 1.932 -1.721 34 HA ALA 5 HA ALA 5 -6.875 0.461 -4.195 35 1HB ALA 5 1HB ALA 5 -5.433 2.433 -3.255 36 2HB ALA 5 2HB ALA 5 -4.640 1.199 -4.236 37 3HB ALA 5 3HB ALA 5 -4.506 1.146 -2.475 38 H LYS 6 HN LYS 6 -6.500 -1.738 -4.423 39 HA LYS 6 HA LYS 6 -5.568 -3.226 -1.989 40 1HB LYS 6 2HB LYS 6 -6.725 -5.167 -3.099 41 2HB LYS 6 1HB LYS 6 -7.807 -3.841 -2.675 42 1HG LYS 6 2HG LYS 6 -8.252 -3.335 -4.851 43 2HG LYS 6 1HG LYS 6 -6.599 -3.657 -5.369 44 1HD LYS 6 2HD LYS 6 -6.982 -6.022 -5.432 45 2HD LYS 6 1HD LYS 6 -8.529 -5.857 -4.600 46 1HE LYS 6 2HE LYS 6 -8.982 -6.173 -6.975 47 2HE LYS 6 1HE LYS 6 -9.337 -4.480 -6.579 48 1HZ LYS 6 1HZ LYS 6 -7.897 -4.708 -8.554 49 2HZ LYS 6 2HZ LYS 6 -6.721 -5.464 -7.592 50 3HZ LYS 6 3HZ LYS 6 -7.148 -3.846 -7.296 51 H TYR 7 HN TYR 7 -3.841 -4.648 -2.208 52 HA TYR 7 HA TYR 7 -2.459 -4.690 -4.872 53 1HB TYR 7 2HB TYR 7 -1.455 -4.268 -2.051 54 2HB TYR 7 1HB TYR 7 -0.366 -4.707 -3.372 55 HD1 TYR 7 1HD TYR 7 0.473 -3.057 -4.784 56 HD2 TYR 7 2HD TYR 7 -3.042 -2.271 -2.468 57 HE1 TYR 7 1HE TYR 7 0.515 -0.704 -5.542 58 HE2 TYR 7 2HE TYR 7 -3.026 0.091 -3.219 59 HH TYR 7 HH TYR 7 -2.102 1.357 -5.256 60 H LYS 8 HN LYS 8 -1.760 -6.284 -1.763 61 HA LYS 8 HA LYS 8 -2.049 -8.942 -3.130 62 1HB LYS 8 2HB LYS 8 0.258 -7.972 -2.387 63 2HB LYS 8 1HB LYS 8 -0.289 -8.343 -0.751 64 1HG LYS 8 2HG LYS 8 0.948 -10.255 -1.534 65 2HG LYS 8 1HG LYS 8 -0.759 -10.700 -1.544 66 1HD LYS 8 2HD LYS 8 -0.868 -10.781 -3.830 67 2HD LYS 8 1HD LYS 8 0.284 -9.462 -4.035 68 1HE LYS 8 2HE LYS 8 1.787 -11.534 -2.861 69 2HE LYS 8 1HE LYS 8 0.776 -12.329 -4.083 70 1HZ LYS 8 1HZ LYS 8 1.413 -10.556 -5.648 71 2HZ LYS 8 2HZ LYS 8 2.748 -11.473 -5.134 72 3HZ LYS 8 3HZ LYS 8 2.478 -9.926 -4.488 73 H GLY 9 HN GLY 9 -4.361 -8.037 -2.106 74 1HA GLY 9 2HA GLY 9 -6.070 -8.827 -0.672 75 2HA GLY 9 1HA GLY 9 -4.867 -9.821 0.156 76 H ARG 10 HN ARG 10 -4.419 -6.378 -0.369 77 HA ARG 10 HA ARG 10 -5.099 -5.790 2.479 78 1HB ARG 10 2HB ARG 10 -2.452 -5.192 1.104 79 2HB ARG 10 1HB ARG 10 -2.874 -4.762 2.762 80 1HG ARG 10 2HG ARG 10 -3.265 -7.243 3.188 81 2HG ARG 10 1HG ARG 10 -2.514 -7.542 1.620 82 1HD ARG 10 2HD ARG 10 -0.413 -6.766 2.332 83 2HD ARG 10 1HD ARG 10 -1.107 -5.833 3.672 84 HE ARG 10 HE ARG 10 -0.477 -8.673 3.742 85 1HH1 ARG 10 1HH1 ARG 10 -0.846 -6.348 5.883 86 2HH1 ARG 10 2HH1 ARG 10 -2.036 -7.103 6.890 87 1HH2 ARG 10 1HH2 ARG 10 -2.776 -9.598 4.597 88 2HH2 ARG 10 2HH2 ARG 10 -3.131 -8.942 6.160 89 H THR 11 HN THR 11 -6.770 -4.317 1.838 90 HA THR 11 HA THR 11 -6.492 -2.412 -0.294 91 HB THR 11 HB THR 11 -8.198 -2.336 2.220 92 HG1 THR 11 1HG THR 11 -8.744 -3.318 -0.385 93 1HG2 THR 11 1HG2 THR 11 -8.646 -0.251 1.407 94 2HG2 THR 11 2HG2 THR 11 -9.625 -1.121 0.226 95 3HG2 THR 11 3HG2 THR 11 -7.983 -0.621 -0.185 96 H PHE 12 HN PHE 12 -6.105 -0.054 -0.028 97 HA PHE 12 HA PHE 12 -4.507 0.606 2.423 98 1HB PHE 12 2HB PHE 12 -4.094 1.164 -0.524 99 2HB PHE 12 1HB PHE 12 -3.298 2.148 0.715 100 HD1 PHE 12 1HD PHE 12 -1.579 1.194 2.187 101 HD2 PHE 12 2HD PHE 12 -3.604 -1.180 -0.772 102 HE1 PHE 12 1HE PHE 12 0.128 -0.601 2.445 103 HE2 PHE 12 2HE PHE 12 -1.917 -2.987 -0.486 104 HZ PHE 12 HZ PHE 12 -0.052 -2.687 1.109 105 H ARG 13 HN ARG 13 -5.439 2.199 3.593 106 HA ARG 13 HA ARG 13 -7.241 4.151 2.199 107 1HB ARG 13 2HB ARG 13 -8.348 4.300 4.430 108 2HB ARG 13 1HB ARG 13 -8.356 2.653 3.801 109 1HG ARG 13 2HG ARG 13 -6.553 1.997 5.238 110 2HG ARG 13 1HG ARG 13 -6.220 3.670 5.691 111 1HD ARG 13 2HD ARG 13 -8.873 3.432 6.394 112 2HD ARG 13 1HD ARG 13 -8.244 1.816 6.770 113 HE ARG 13 HE ARG 13 -6.922 4.317 7.758 114 1HH1 ARG 13 1HH2 ARG 13 -9.005 2.153 9.007 115 2HH1 ARG 13 2HH2 ARG 13 -7.945 1.477 10.199 116 1HH2 ARG 13 1HH1 ARG 13 -5.101 2.980 8.902 117 2HH2 ARG 13 2HH1 ARG 13 -5.734 1.947 10.141 118 H ASN 14 HN ASN 14 -4.286 4.317 2.538 119 HA ASN 14 HA ASN 14 -4.150 7.044 3.596 120 1HB ASN 14 2HB ASN 14 -4.111 5.715 5.651 121 2HB ASN 14 1HB ASN 14 -2.804 4.716 5.013 122 1HD2 ASN 14 1HD2 ASN 14 -3.532 8.183 5.624 123 2HD2 ASN 14 2HD2 ASN 14 -1.962 8.586 6.132 124 H GLU 15 HN GLU 15 -2.203 8.073 2.943 125 HA GLU 15 HA GLU 15 -0.839 6.858 0.665 126 1HB GLU 15 2HB GLU 15 -1.524 9.359 1.389 127 2HB GLU 15 1HB GLU 15 0.136 9.347 1.990 128 1HG GLU 15 2HG GLU 15 1.002 8.789 -0.190 129 2HG GLU 15 1HG GLU 15 -0.623 8.511 -0.821 130 H LYS 16 HN LYS 16 0.036 7.673 4.018 131 HA LYS 16 HA LYS 16 2.802 7.122 3.902 132 1HB LYS 16 2HB LYS 16 1.127 8.070 5.744 133 2HB LYS 16 1HB LYS 16 1.201 6.401 6.312 134 1HG LYS 16 2HG LYS 16 3.756 7.830 5.650 135 2HG LYS 16 1HG LYS 16 2.957 8.172 7.185 136 1HD LYS 16 2HD LYS 16 3.200 5.300 6.480 137 2HD LYS 16 1HD LYS 16 4.714 6.128 6.841 138 1HE LYS 16 2HE LYS 16 3.336 7.070 8.910 139 2HE LYS 16 1HE LYS 16 2.374 5.602 8.641 140 1HZ LYS 16 1HZ LYS 16 5.333 5.713 8.902 141 2HZ LYS 16 2HZ LYS 16 4.423 4.312 8.607 142 3HZ LYS 16 3HZ LYS 16 4.259 5.135 10.084 143 H GLU 17 HN GLU 17 0.092 5.000 4.596 144 HA GLU 17 HA GLU 17 1.540 2.611 5.211 145 1HB GLU 17 2HB GLU 17 -1.183 3.084 3.951 146 2HB GLU 17 1HB GLU 17 -0.644 1.532 4.585 147 1HG GLU 17 2HG GLU 17 -0.843 4.090 6.192 148 2HG GLU 17 1HG GLU 17 -2.028 2.784 6.206 149 H LEU 18 HN LEU 18 -0.263 3.259 2.211 150 HA LEU 18 HA LEU 18 0.801 1.166 0.683 151 1HB LEU 18 2HB LEU 18 -1.183 2.675 0.235 152 2HB LEU 18 1HB LEU 18 -0.038 3.889 -0.335 153 HG LEU 18 HG LEU 18 0.843 2.172 -1.953 154 1HD1 LEU 18 1HD1 LEU 18 -0.333 0.296 -0.502 155 2HD1 LEU 18 2HD1 LEU 18 -0.194 0.106 -2.239 156 3HD1 LEU 18 3HD1 LEU 18 -1.708 0.661 -1.531 157 1HD2 LEU 18 1HD2 LEU 18 -2.054 2.418 -2.568 158 2HD2 LEU 18 2HD2 LEU 18 -0.656 2.874 -3.541 159 3HD2 LEU 18 3HD2 LEU 18 -1.197 3.921 -2.229 160 H ARG 19 HN ARG 19 1.946 4.589 0.664 161 HA ARG 19 HA ARG 19 4.042 4.275 -1.203 162 1HB ARG 19 2HB ARG 19 3.629 5.990 1.249 163 2HB ARG 19 1HB ARG 19 5.095 6.144 0.280 164 1HG ARG 19 2HG ARG 19 2.487 6.138 -1.168 165 2HG ARG 19 1HG ARG 19 2.910 7.588 -0.257 166 1HD ARG 19 2HD ARG 19 4.889 7.947 -1.526 167 2HD ARG 19 1HD ARG 19 4.856 6.300 -2.188 168 HE ARG 19 HE ARG 19 3.156 8.545 -3.065 169 1HH1 ARG 19 1HH2 ARG 19 1.262 6.333 -2.738 170 2HH1 ARG 19 2HH2 ARG 19 1.396 5.466 -4.232 171 1HH2 ARG 19 1HH1 ARG 19 4.419 6.920 -5.111 172 2HH2 ARG 19 2HH1 ARG 19 3.183 5.799 -5.575 173 H ASP 20 HN ASP 20 3.911 3.366 2.208 174 HA ASP 20 HA ASP 20 6.747 2.661 2.423 175 1HB ASP 20 2HB ASP 20 5.317 3.325 4.347 176 2HB ASP 20 1HB ASP 20 4.290 1.918 4.065 177 H PHE 21 HN PHE 21 3.670 1.017 1.867 178 HA PHE 21 HA PHE 21 4.570 -1.717 1.722 179 1HB PHE 21 2HB PHE 21 2.233 -1.102 1.880 180 2HB PHE 21 1HB PHE 21 2.316 -0.147 0.415 181 HD1 PHE 21 1HD PHE 21 2.070 -1.148 -1.749 182 HD2 PHE 21 2HD PHE 21 2.654 -3.547 1.764 183 HE1 PHE 21 1HE PHE 21 1.580 -3.206 -3.063 184 HE2 PHE 21 2HE PHE 21 2.145 -5.607 0.457 185 HZ PHE 21 HZ PHE 21 1.613 -5.430 -1.961 186 H ILE 22 HN ILE 22 3.679 0.487 -0.872 187 HA ILE 22 HA ILE 22 4.500 -0.827 -3.172 188 HB ILE 22 HB ILE 22 4.695 2.111 -2.423 189 1HG1 ILE 22 2HG1 ILE 22 2.447 1.018 -2.149 190 2HG1 ILE 22 1HG1 ILE 22 2.455 2.262 -3.392 191 1HG2 ILE 22 1HG2 ILE 22 4.586 2.570 -4.822 192 2HG2 ILE 22 2HG2 ILE 22 4.524 0.841 -5.168 193 3HG2 ILE 22 3HG2 ILE 22 5.985 1.550 -4.483 194 1HD1 ILE 22 1HD1 ILE 22 1.803 -0.526 -3.616 195 2HD1 ILE 22 2HD1 ILE 22 3.167 -0.160 -4.668 196 3HD1 ILE 22 3HD1 ILE 22 1.662 0.743 -4.828 197 H GLU 23 HN GLU 23 6.487 0.869 -0.817 198 HA GLU 23 HA GLU 23 8.952 0.779 -2.404 199 1HB GLU 23 2HB GLU 23 8.073 2.329 -0.407 200 2HB GLU 23 1HB GLU 23 8.893 1.111 0.572 201 1HG GLU 23 2HG GLU 23 10.552 2.755 0.137 202 2HG GLU 23 1HG GLU 23 10.904 1.446 -0.993 203 H LYS 24 HN LYS 24 7.675 -0.944 0.456 204 HA LYS 24 HA LYS 24 9.884 -2.770 0.747 205 1HB LYS 24 2HB LYS 24 8.157 -2.225 2.467 206 2HB LYS 24 1HB LYS 24 6.950 -3.057 1.488 207 1HG LYS 24 2HG LYS 24 8.984 -4.935 1.680 208 2HG LYS 24 1HG LYS 24 9.000 -4.173 3.270 209 1HD LYS 24 2HD LYS 24 6.347 -4.909 2.108 210 2HD LYS 24 1HD LYS 24 7.365 -6.210 2.726 211 1HE LYS 24 2HE LYS 24 7.525 -5.089 4.908 212 2HE LYS 24 1HE LYS 24 6.554 -3.736 4.297 213 1HZ LYS 24 1HZ LYS 24 4.754 -5.233 3.821 214 2HZ LYS 24 2HZ LYS 24 5.199 -5.423 5.451 215 3HZ LYS 24 3HZ LYS 24 5.678 -6.575 4.302 216 H PHE 25 HN PHE 25 6.770 -2.972 -0.967 217 HA PHE 25 HA PHE 25 6.867 -5.641 -1.842 218 1HB PHE 25 2HB PHE 25 4.883 -4.310 -2.048 219 2HB PHE 25 1HB PHE 25 5.721 -3.097 -3.008 220 HD1 PHE 25 1HD PHE 25 5.017 -3.066 -5.202 221 HD2 PHE 25 2HD PHE 25 5.373 -6.846 -3.197 222 HE1 PHE 25 1HE PHE 25 4.368 -4.224 -7.291 223 HE2 PHE 25 2HE PHE 25 4.716 -8.013 -5.287 224 HZ PHE 25 HZ PHE 25 4.212 -6.704 -7.334 225 H LYS 26 HN LYS 26 7.173 -3.419 -4.509 226 HA LYS 26 HA LYS 26 9.921 -4.260 -5.152 227 1HB LYS 26 2HB LYS 26 7.399 -4.850 -6.694 228 2HB LYS 26 1HB LYS 26 9.019 -5.086 -7.360 229 1HG LYS 26 2HG LYS 26 9.457 -6.529 -5.268 230 2HG LYS 26 1HG LYS 26 7.706 -6.511 -5.051 231 1HD LYS 26 2HD LYS 26 7.652 -7.236 -7.571 232 2HD LYS 26 1HD LYS 26 9.321 -7.728 -7.279 233 1HE LYS 26 2HE LYS 26 8.417 -8.997 -5.224 234 2HE LYS 26 1HE LYS 26 6.811 -8.762 -5.944 235 1HZ LYS 26 1HZ LYS 26 7.733 -10.798 -6.785 236 2HZ LYS 26 2HZ LYS 26 9.172 -10.019 -7.239 237 3HZ LYS 26 3HZ LYS 26 7.719 -9.659 -8.041 238 H GLY 27 HN GLY 27 7.103 -2.904 -6.775 239 1HA GLY 27 2HA GLY 27 6.733 -0.848 -7.832 240 2HA GLY 27 1HA GLY 27 8.093 -0.205 -6.907 241 H ARG 28 HN ARG 28 7.562 -2.529 -9.580 242 HA ARG 28 HA ARG 28 10.016 -1.417 -10.903 243 1HB ARG 28 2HB ARG 28 10.068 -3.790 -10.117 244 2HB ARG 28 1HB ARG 28 8.686 -4.136 -11.154 245 1HG ARG 28 2HG ARG 28 10.771 -2.784 -12.662 246 2HG ARG 28 1HG ARG 28 11.412 -4.224 -11.874 247 1HD ARG 28 2HD ARG 28 8.767 -4.460 -13.265 248 2HD ARG 28 1HD ARG 28 10.240 -4.412 -14.256 249 HE ARG 28 HE ARG 28 11.074 -6.246 -12.603 250 1HH1 ARG 28 1HH2 ARG 28 9.040 -6.928 -14.879 251 2HH1 ARG 28 2HH2 ARG 28 8.009 -8.029 -14.028 252 1HH2 ARG 28 1HH1 ARG 28 9.208 -7.149 -10.896 253 2HH2 ARG 28 2HH1 ARG 28 8.105 -8.155 -11.774 Start of MODEL 16 1 1H GLU 1 1HT GLU 1 -15.844 8.649 1.695 2 2H GLU 1 2HT GLU 1 -14.856 8.332 0.349 3 3H GLU 1 3HT GLU 1 -14.757 9.830 1.146 4 HA GLU 1 HA GLU 1 -13.765 8.867 3.061 5 1HB GLU 1 2HB GLU 1 -13.597 6.378 3.183 6 2HB GLU 1 1HB GLU 1 -15.268 6.931 3.098 7 1HG GLU 1 2HG GLU 1 -15.566 6.145 0.941 8 2HG GLU 1 1HG GLU 1 -13.860 6.317 0.527 9 H GLN 2 HN GLN 2 -11.726 7.023 2.847 10 HA GLN 2 HA GLN 2 -9.959 8.293 0.858 11 1HB GLN 2 2HB GLN 2 -9.421 7.762 3.290 12 2HB GLN 2 1HB GLN 2 -9.399 6.061 2.829 13 1HG GLN 2 2HG GLN 2 -7.280 6.278 2.105 14 2HG GLN 2 1HG GLN 2 -7.801 7.481 0.928 15 1HE2 GLN 2 1HE2 GLN 2 -6.757 9.451 1.178 16 2HE2 GLN 2 2HE2 GLN 2 -6.169 10.070 2.645 17 H TYR 3 HN TYR 3 -8.790 7.064 -0.749 18 HA TYR 3 HA TYR 3 -10.232 5.223 -2.287 19 1HB TYR 3 2HB TYR 3 -7.968 4.739 -3.298 20 2HB TYR 3 1HB TYR 3 -8.380 6.448 -3.171 21 HD1 TYR 3 1HD TYR 3 -6.878 7.905 -2.205 22 HD2 TYR 3 2HD TYR 3 -6.683 3.739 -1.187 23 HE1 TYR 3 1HE TYR 3 -4.863 8.328 -0.844 24 HE2 TYR 3 2HE TYR 3 -4.675 4.166 0.170 25 HH TYR 3 HH TYR 3 -2.816 6.835 -0.075 26 H THR 4 HN THR 4 -10.058 2.948 -2.597 27 HA THR 4 HA THR 4 -9.152 1.447 -0.167 28 HB THR 4 HB THR 4 -10.829 -0.245 -1.185 29 HG1 THR 4 1HG THR 4 -11.330 0.406 -3.134 30 1HG2 THR 4 1HG2 THR 4 -11.237 1.305 0.775 31 2HG2 THR 4 2HG2 THR 4 -12.686 0.855 -0.124 32 3HG2 THR 4 3HG2 THR 4 -11.955 2.442 -0.367 33 H ALA 5 HN ALA 5 -7.265 2.174 -2.191 34 HA ALA 5 HA ALA 5 -6.733 0.455 -4.306 35 1HB ALA 5 1HB ALA 5 -5.459 2.483 -3.155 36 2HB ALA 5 2HB ALA 5 -4.591 1.330 -4.172 37 3HB ALA 5 3HB ALA 5 -4.531 1.173 -2.412 38 H LYS 6 HN LYS 6 -6.376 -1.720 -4.434 39 HA LYS 6 HA LYS 6 -5.476 -3.160 -1.959 40 1HB LYS 6 2HB LYS 6 -6.644 -5.126 -3.035 41 2HB LYS 6 1HB LYS 6 -7.721 -3.802 -2.592 42 1HG LYS 6 2HG LYS 6 -7.895 -3.052 -4.837 43 2HG LYS 6 1HG LYS 6 -6.522 -4.029 -5.354 44 1HD LYS 6 2HD LYS 6 -7.997 -5.628 -5.957 45 2HD LYS 6 1HD LYS 6 -8.316 -5.881 -4.243 46 1HE LYS 6 2HE LYS 6 -9.746 -3.557 -5.372 47 2HE LYS 6 1HE LYS 6 -10.227 -5.115 -6.072 48 1HZ LYS 6 1HZ LYS 6 -10.077 -4.428 -3.185 49 2HZ LYS 6 2HZ LYS 6 -10.342 -5.999 -3.778 50 3HZ LYS 6 3HZ LYS 6 -11.480 -4.778 -4.077 51 H TYR 7 HN TYR 7 -3.735 -4.558 -2.174 52 HA TYR 7 HA TYR 7 -2.397 -4.642 -4.859 53 1HB TYR 7 2HB TYR 7 -1.354 -4.224 -2.053 54 2HB TYR 7 1HB TYR 7 -0.291 -4.632 -3.402 55 HD1 TYR 7 1HD TYR 7 0.509 -2.948 -4.798 56 HD2 TYR 7 2HD TYR 7 -2.991 -2.242 -2.430 57 HE1 TYR 7 1HE TYR 7 0.501 -0.587 -5.534 58 HE2 TYR 7 2HE TYR 7 -3.029 0.125 -3.165 59 HH TYR 7 HH TYR 7 -2.184 1.454 -5.103 60 H LYS 8 HN LYS 8 -2.381 -6.240 -1.657 61 HA LYS 8 HA LYS 8 -2.480 -8.901 -2.998 62 1HB LYS 8 2HB LYS 8 -0.115 -7.805 -2.249 63 2HB LYS 8 1HB LYS 8 -0.584 -8.562 -0.727 64 1HG LYS 8 2HG LYS 8 0.604 -10.268 -1.836 65 2HG LYS 8 1HG LYS 8 -1.083 -10.661 -2.172 66 1HD LYS 8 2HD LYS 8 -0.130 -10.806 -4.301 67 2HD LYS 8 1HD LYS 8 -0.729 -9.147 -4.287 68 1HE LYS 8 2HE LYS 8 1.427 -8.668 -4.939 69 2HE LYS 8 1HE LYS 8 1.753 -8.791 -3.199 70 1HZ LYS 8 1HZ LYS 8 1.797 -11.097 -5.068 71 2HZ LYS 8 2HZ LYS 8 2.252 -11.102 -3.432 72 3HZ LYS 8 3HZ LYS 8 3.185 -10.258 -4.573 73 H GLY 9 HN GLY 9 -4.721 -8.138 -1.925 74 1HA GLY 9 2HA GLY 9 -6.326 -8.762 -0.319 75 2HA GLY 9 1HA GLY 9 -5.089 -9.764 0.448 76 H ARG 10 HN ARG 10 -4.626 -6.344 -0.200 77 HA ARG 10 HA ARG 10 -5.094 -5.660 2.665 78 1HB ARG 10 2HB ARG 10 -2.513 -5.197 1.124 79 2HB ARG 10 1HB ARG 10 -2.826 -4.690 2.784 80 1HG ARG 10 2HG ARG 10 -3.214 -7.097 3.389 81 2HG ARG 10 1HG ARG 10 -2.702 -7.540 1.759 82 1HD ARG 10 2HD ARG 10 -0.488 -6.683 2.119 83 2HD ARG 10 1HD ARG 10 -0.975 -5.886 3.628 84 HE ARG 10 HE ARG 10 -1.413 -8.194 4.545 85 1HH1 ARG 10 1HH1 ARG 10 1.358 -7.429 2.890 86 2HH1 ARG 10 2HH1 ARG 10 1.856 -9.058 2.578 87 1HH2 ARG 10 1HH2 ARG 10 -1.128 -10.458 3.656 88 2HH2 ARG 10 2HH2 ARG 10 0.449 -10.773 3.011 89 H THR 11 HN THR 11 -6.822 -4.253 1.896 90 HA THR 11 HA THR 11 -6.483 -2.341 -0.222 91 HB THR 11 HB THR 11 -8.273 -2.262 2.230 92 HG1 THR 11 1HG THR 11 -9.679 -3.421 1.005 93 1HG2 THR 11 1HG2 THR 11 -9.209 -0.407 1.349 94 2HG2 THR 11 2HG2 THR 11 -9.337 -1.161 -0.239 95 3HG2 THR 11 3HG2 THR 11 -7.851 -0.331 0.224 96 H PHE 12 HN PHE 12 -5.916 -0.072 -0.044 97 HA PHE 12 HA PHE 12 -4.466 0.629 2.485 98 1HB PHE 12 2HB PHE 12 -4.021 1.230 -0.450 99 2HB PHE 12 1HB PHE 12 -3.225 2.174 0.822 100 HD1 PHE 12 1HD PHE 12 -1.504 1.178 2.252 101 HD2 PHE 12 2HD PHE 12 -3.600 -1.134 -0.711 102 HE1 PHE 12 1HE PHE 12 0.169 -0.646 2.484 103 HE2 PHE 12 2HE PHE 12 -1.939 -2.974 -0.449 104 HZ PHE 12 HZ PHE 12 -0.055 -2.717 1.137 105 H ARG 13 HN ARG 13 -5.387 2.227 3.646 106 HA ARG 13 HA ARG 13 -7.164 4.205 2.252 107 1HB ARG 13 2HB ARG 13 -7.239 2.810 4.928 108 2HB ARG 13 1HB ARG 13 -8.128 4.312 4.675 109 1HG ARG 13 2HG ARG 13 -9.552 3.361 3.089 110 2HG ARG 13 1HG ARG 13 -8.415 2.070 2.696 111 1HD ARG 13 2HD ARG 13 -10.161 1.041 3.994 112 2HD ARG 13 1HD ARG 13 -8.789 1.229 5.105 113 HE ARG 13 HE ARG 13 -9.882 3.298 5.955 114 1HH1 ARG 13 1HH1 ARG 13 -11.748 3.043 3.376 115 2HH1 ARG 13 2HH1 ARG 13 -13.262 2.787 4.177 116 1HH2 ARG 13 1HH2 ARG 13 -11.822 2.154 7.268 117 2HH2 ARG 13 2HH2 ARG 13 -13.304 2.284 6.380 118 H ASN 14 HN ASN 14 -4.243 4.372 2.639 119 HA ASN 14 HA ASN 14 -4.085 7.046 3.791 120 1HB ASN 14 2HB ASN 14 -4.157 5.169 5.666 121 2HB ASN 14 1HB ASN 14 -2.456 4.981 5.237 122 1HD2 ASN 14 1HD2 ASN 14 -1.010 6.804 5.646 123 2HD2 ASN 14 2HD2 ASN 14 -1.473 8.086 6.656 124 H GLU 15 HN GLU 15 -2.470 8.052 2.673 125 HA GLU 15 HA GLU 15 -0.841 6.759 0.728 126 1HB GLU 15 2HB GLU 15 -1.543 9.310 1.411 127 2HB GLU 15 1HB GLU 15 0.144 9.285 1.926 128 1HG GLU 15 2HG GLU 15 0.679 8.292 -0.372 129 2HG GLU 15 1HG GLU 15 -0.964 8.734 -0.833 130 H LYS 16 HN LYS 16 -0.115 7.700 4.089 131 HA LYS 16 HA LYS 16 2.655 7.221 4.139 132 1HB LYS 16 2HB LYS 16 0.980 8.164 5.893 133 2HB LYS 16 1HB LYS 16 0.810 6.482 6.392 134 1HG LYS 16 2HG LYS 16 2.628 6.832 7.691 135 2HG LYS 16 1HG LYS 16 3.564 6.797 6.197 136 1HD LYS 16 2HD LYS 16 2.257 9.384 6.843 137 2HD LYS 16 1HD LYS 16 3.578 8.903 7.907 138 1HE LYS 16 2HE LYS 16 4.836 8.378 5.648 139 2HE LYS 16 1HE LYS 16 3.653 9.509 4.963 140 1HZ LYS 16 1HZ LYS 16 5.356 10.033 7.343 141 2HZ LYS 16 2HZ LYS 16 4.228 11.110 6.670 142 3HZ LYS 16 3HZ LYS 16 5.619 10.675 5.796 143 H GLU 17 HN GLU 17 -0.003 4.985 4.618 144 HA GLU 17 HA GLU 17 1.560 2.656 5.282 145 1HB GLU 17 2HB GLU 17 -1.217 3.247 4.286 146 2HB GLU 17 1HB GLU 17 -0.668 1.575 4.365 147 1HG GLU 17 2HG GLU 17 -0.666 3.526 6.682 148 2HG GLU 17 1HG GLU 17 -1.851 2.247 6.417 149 H LEU 18 HN LEU 18 -0.319 3.198 2.313 150 HA LEU 18 HA LEU 18 0.778 1.172 0.754 151 1HB LEU 18 2HB LEU 18 -1.205 2.673 0.309 152 2HB LEU 18 1HB LEU 18 -0.065 3.908 -0.229 153 HG LEU 18 HG LEU 18 0.847 2.222 -1.867 154 1HD1 LEU 18 1HD1 LEU 18 -0.323 0.311 -0.471 155 2HD1 LEU 18 2HD1 LEU 18 -0.197 0.164 -2.212 156 3HD1 LEU 18 3HD1 LEU 18 -1.707 0.699 -1.480 157 1HD2 LEU 18 1HD2 LEU 18 -2.058 2.496 -2.473 158 2HD2 LEU 18 2HD2 LEU 18 -0.661 2.909 -3.467 159 3HD2 LEU 18 3HD2 LEU 18 -1.157 3.980 -2.157 160 H ARG 19 HN ARG 19 1.948 4.584 0.822 161 HA ARG 19 HA ARG 19 4.024 4.305 -1.077 162 1HB ARG 19 2HB ARG 19 3.797 5.929 1.482 163 2HB ARG 19 1HB ARG 19 5.074 6.183 0.291 164 1HG ARG 19 2HG ARG 19 3.438 6.702 -1.430 165 2HG ARG 19 1HG ARG 19 2.111 6.307 -0.337 166 1HD ARG 19 2HD ARG 19 2.296 8.290 0.817 167 2HD ARG 19 1HD ARG 19 4.058 8.357 0.619 168 HE ARG 19 HE ARG 19 2.215 8.841 -1.688 169 1HH1 ARG 19 1HH1 ARG 19 2.788 11.318 -0.236 170 2HH1 ARG 19 2HH1 ARG 19 4.246 11.889 -0.975 171 1HH2 ARG 19 1HH2 ARG 19 5.023 8.834 -2.420 172 2HH2 ARG 19 2HH2 ARG 19 5.511 10.483 -2.213 173 H ASP 20 HN ASP 20 3.924 3.330 2.327 174 HA ASP 20 HA ASP 20 6.752 2.601 2.497 175 1HB ASP 20 2HB ASP 20 5.343 3.214 4.451 176 2HB ASP 20 1HB ASP 20 4.307 1.821 4.140 177 H PHE 21 HN PHE 21 3.671 0.985 1.891 178 HA PHE 21 HA PHE 21 4.569 -1.746 1.680 179 1HB PHE 21 2HB PHE 21 2.232 -1.128 1.860 180 2HB PHE 21 1HB PHE 21 2.313 -0.154 0.406 181 HD1 PHE 21 1HD PHE 21 2.103 -1.125 -1.774 182 HD2 PHE 21 2HD PHE 21 2.641 -3.570 1.714 183 HE1 PHE 21 1HE PHE 21 1.622 -3.165 -3.119 184 HE2 PHE 21 2HE PHE 21 2.141 -5.612 0.376 185 HZ PHE 21 HZ PHE 21 1.637 -5.403 -2.046 186 H ILE 22 HN ILE 22 3.686 0.539 -0.846 187 HA ILE 22 HA ILE 22 4.489 -0.737 -3.181 188 HB ILE 22 HB ILE 22 4.683 2.183 -2.366 189 1HG1 ILE 22 2HG1 ILE 22 2.442 1.067 -2.120 190 2HG1 ILE 22 1HG1 ILE 22 2.442 2.349 -3.327 191 1HG2 ILE 22 1HG2 ILE 22 4.565 2.696 -4.757 192 2HG2 ILE 22 2HG2 ILE 22 4.528 0.975 -5.140 193 3HG2 ILE 22 3HG2 ILE 22 5.978 1.690 -4.436 194 1HD1 ILE 22 1HD1 ILE 22 1.819 -0.442 -3.628 195 2HD1 ILE 22 2HD1 ILE 22 3.164 -0.021 -4.684 196 3HD1 ILE 22 3HD1 ILE 22 1.645 0.865 -4.798 197 H GLU 23 HN GLU 23 6.491 0.897 -0.795 198 HA GLU 23 HA GLU 23 8.952 0.835 -2.389 199 1HB GLU 23 2HB GLU 23 8.145 2.378 -0.405 200 2HB GLU 23 1HB GLU 23 8.806 1.092 0.607 201 1HG GLU 23 2HG GLU 23 10.645 2.525 0.327 202 2HG GLU 23 1HG GLU 23 10.913 1.301 -0.914 203 H LYS 24 HN LYS 24 7.439 -1.119 0.149 204 HA LYS 24 HA LYS 24 9.695 -2.910 0.544 205 1HB LYS 24 2HB LYS 24 7.342 -2.306 1.827 206 2HB LYS 24 1HB LYS 24 6.948 -3.863 1.100 207 1HG LYS 24 2HG LYS 24 8.101 -4.896 2.735 208 2HG LYS 24 1HG LYS 24 9.574 -4.110 2.172 209 1HD LYS 24 2HD LYS 24 9.383 -2.357 3.709 210 2HD LYS 24 1HD LYS 24 7.648 -2.598 3.919 211 1HE LYS 24 2HE LYS 24 8.331 -3.630 5.865 212 2HE LYS 24 1HE LYS 24 8.584 -5.013 4.781 213 1HZ LYS 24 1HZ LYS 24 10.585 -2.953 5.546 214 2HZ LYS 24 2HZ LYS 24 10.835 -4.116 4.333 215 3HZ LYS 24 3HZ LYS 24 10.620 -4.605 5.943 216 H PHE 25 HN PHE 25 6.735 -2.963 -1.432 217 HA PHE 25 HA PHE 25 6.753 -5.575 -2.415 218 1HB PHE 25 2HB PHE 25 4.945 -4.100 -2.892 219 2HB PHE 25 1HB PHE 25 6.016 -2.898 -3.602 220 HD1 PHE 25 1HD PHE 25 5.730 -2.661 -5.874 221 HD2 PHE 25 2HD PHE 25 5.403 -6.579 -4.149 222 HE1 PHE 25 1HE PHE 25 5.372 -3.610 -8.130 223 HE2 PHE 25 2HE PHE 25 5.033 -7.539 -6.409 224 HZ PHE 25 HZ PHE 25 5.016 -6.056 -8.400 225 H LYS 26 HN LYS 26 7.693 -3.319 -4.902 226 HA LYS 26 HA LYS 26 10.377 -4.501 -5.214 227 1HB LYS 26 2HB LYS 26 8.049 -4.578 -7.135 228 2HB LYS 26 1HB LYS 26 9.704 -4.933 -7.634 229 1HG LYS 26 2HG LYS 26 8.161 -6.401 -5.479 230 2HG LYS 26 1HG LYS 26 8.427 -6.993 -7.114 231 1HD LYS 26 2HD LYS 26 10.916 -6.788 -6.684 232 2HD LYS 26 1HD LYS 26 10.526 -6.480 -4.991 233 1HE LYS 26 2HE LYS 26 9.451 -8.651 -4.777 234 2HE LYS 26 1HE LYS 26 9.636 -8.954 -6.517 235 1HZ LYS 26 1HZ LYS 26 11.449 -9.978 -5.304 236 2HZ LYS 26 2HZ LYS 26 11.841 -8.494 -4.576 237 3HZ LYS 26 3HZ LYS 26 12.041 -8.702 -6.251 238 H GLY 27 HN GLY 27 8.105 -2.623 -7.141 239 1HA GLY 27 2HA GLY 27 8.262 -0.551 -8.198 240 2HA GLY 27 1HA GLY 27 9.170 -0.040 -6.774 241 H ARG 28 HN ARG 28 9.867 -2.333 -9.441 242 HA ARG 28 HA ARG 28 12.218 -0.679 -10.219 243 1HB ARG 28 2HB ARG 28 12.777 -2.376 -8.394 244 2HB ARG 28 1HB ARG 28 12.414 -3.634 -9.576 245 1HG ARG 28 2HG ARG 28 14.251 -1.491 -10.494 246 2HG ARG 28 1HG ARG 28 14.889 -2.569 -9.253 247 1HD ARG 28 2HD ARG 28 13.557 -4.237 -11.133 248 2HD ARG 28 1HD ARG 28 14.542 -3.098 -12.070 249 HE ARG 28 HE ARG 28 15.656 -4.718 -9.808 250 1HH1 ARG 28 1HH2 ARG 28 16.563 -2.309 -11.877 251 2HH1 ARG 28 2HH2 ARG 28 17.878 -3.161 -12.615 252 1HH2 ARG 28 1HH1 ARG 28 17.051 -6.211 -11.192 253 2HH2 ARG 28 2HH1 ARG 28 18.154 -5.370 -12.228 Start of MODEL 17 1 1H GLU 1 1HT GLU 1 -10.108 8.065 6.413 2 2H GLU 1 2HT GLU 1 -10.096 6.498 5.755 3 3H GLU 1 3HT GLU 1 -11.360 6.982 6.782 4 HA GLU 1 HA GLU 1 -12.217 7.062 4.572 5 1HB GLU 1 2HB GLU 1 -12.742 8.866 6.208 6 2HB GLU 1 1HB GLU 1 -11.388 9.805 5.577 7 1HG GLU 1 2HG GLU 1 -13.047 10.699 4.262 8 2HG GLU 1 1HG GLU 1 -12.656 9.299 3.261 9 H GLN 2 HN GLN 2 -10.805 6.258 2.929 10 HA GLN 2 HA GLN 2 -9.574 8.303 1.233 11 1HB GLN 2 2HB GLN 2 -8.052 7.350 3.300 12 2HB GLN 2 1HB GLN 2 -7.625 6.217 2.018 13 1HG GLN 2 2HG GLN 2 -6.113 7.855 1.486 14 2HG GLN 2 1HG GLN 2 -7.497 8.530 0.626 15 1HE2 GLN 2 1HE2 GLN 2 -7.476 10.754 1.011 16 2HE2 GLN 2 2HE2 GLN 2 -7.259 11.472 2.535 17 H TYR 3 HN TYR 3 -8.248 6.979 -0.581 18 HA TYR 3 HA TYR 3 -10.010 5.467 -2.100 19 1HB TYR 3 2HB TYR 3 -7.872 4.632 -3.218 20 2HB TYR 3 1HB TYR 3 -8.072 6.376 -3.085 21 HD1 TYR 3 1HD TYR 3 -6.248 7.573 -2.440 22 HD2 TYR 3 2HD TYR 3 -6.699 3.568 -0.946 23 HE1 TYR 3 1HE TYR 3 -4.119 7.787 -1.215 24 HE2 TYR 3 2HE TYR 3 -4.574 3.791 0.273 25 HH TYR 3 HH TYR 3 -2.477 5.148 0.098 26 H THR 4 HN THR 4 -9.860 3.149 -2.746 27 HA THR 4 HA THR 4 -9.501 1.404 -0.339 28 HB THR 4 HB THR 4 -11.055 0.822 -2.869 29 HG1 THR 4 1HG THR 4 -11.850 2.242 -0.549 30 1HG2 THR 4 1HG2 THR 4 -11.171 -0.154 -0.007 31 2HG2 THR 4 2HG2 THR 4 -10.756 -1.090 -1.443 32 3HG2 THR 4 3HG2 THR 4 -12.408 -0.522 -1.208 33 H ALA 5 HN ALA 5 -7.342 2.230 -2.232 34 HA ALA 5 HA ALA 5 -6.590 0.445 -4.219 35 1HB ALA 5 1HB ALA 5 -5.455 2.509 -2.892 36 2HB ALA 5 2HB ALA 5 -4.538 1.438 -3.955 37 3HB ALA 5 3HB ALA 5 -4.522 1.167 -2.207 38 H LYS 6 HN LYS 6 -6.160 -1.738 -4.247 39 HA LYS 6 HA LYS 6 -5.541 -3.063 -1.629 40 1HB LYS 6 2HB LYS 6 -6.575 -5.081 -2.701 41 2HB LYS 6 1HB LYS 6 -7.700 -3.742 -2.490 42 1HG LYS 6 2HG LYS 6 -7.710 -3.220 -4.777 43 2HG LYS 6 1HG LYS 6 -6.179 -4.041 -5.070 44 1HD LYS 6 2HD LYS 6 -7.533 -5.698 -5.875 45 2HD LYS 6 1HD LYS 6 -7.661 -6.127 -4.169 46 1HE LYS 6 2HE LYS 6 -9.773 -5.076 -3.940 47 2HE LYS 6 1HE LYS 6 -9.560 -4.136 -5.430 48 1HZ LYS 6 1HZ LYS 6 -10.985 -6.131 -5.720 49 2HZ LYS 6 2HZ LYS 6 -9.648 -7.105 -5.333 50 3HZ LYS 6 3HZ LYS 6 -9.613 -6.131 -6.721 51 H TYR 7 HN TYR 7 -3.772 -4.387 -1.540 52 HA TYR 7 HA TYR 7 -2.207 -4.829 -4.061 53 1HB TYR 7 2HB TYR 7 -1.278 -3.873 -1.346 54 2HB TYR 7 1HB TYR 7 -0.188 -4.436 -2.593 55 HD1 TYR 7 1HD TYR 7 0.559 -3.021 -4.225 56 HD2 TYR 7 2HD TYR 7 -2.955 -2.033 -2.002 57 HE1 TYR 7 1HE TYR 7 0.532 -0.797 -5.290 58 HE2 TYR 7 2HE TYR 7 -3.020 0.204 -3.044 59 HH TYR 7 HH TYR 7 -1.881 1.052 -5.605 60 H LYS 8 HN LYS 8 -2.032 -7.021 -4.332 61 HA LYS 8 HA LYS 8 -1.898 -9.333 -3.832 62 1HB LYS 8 2HB LYS 8 -0.207 -7.832 -1.887 63 2HB LYS 8 1HB LYS 8 -0.488 -9.539 -1.543 64 1HG LYS 8 2HG LYS 8 0.482 -8.506 -4.221 65 2HG LYS 8 1HG LYS 8 1.556 -9.100 -2.955 66 1HD LYS 8 2HD LYS 8 -0.025 -11.202 -2.995 67 2HD LYS 8 1HD LYS 8 -0.440 -10.617 -4.607 68 1HE LYS 8 2HE LYS 8 2.193 -10.444 -4.884 69 2HE LYS 8 1HE LYS 8 2.184 -11.662 -3.593 70 1HZ LYS 8 1HZ LYS 8 0.479 -12.876 -4.907 71 2HZ LYS 8 2HZ LYS 8 1.998 -12.803 -5.667 72 3HZ LYS 8 3HZ LYS 8 0.737 -11.789 -6.184 73 H GLY 9 HN GLY 9 -4.175 -7.655 -2.605 74 1HA GLY 9 2HA GLY 9 -6.120 -8.551 -1.503 75 2HA GLY 9 1HA GLY 9 -5.097 -9.762 -0.734 76 H ARG 10 HN ARG 10 -4.516 -6.260 -0.827 77 HA ARG 10 HA ARG 10 -5.192 -6.044 2.072 78 1HB ARG 10 2HB ARG 10 -2.515 -5.385 0.793 79 2HB ARG 10 1HB ARG 10 -2.940 -5.059 2.473 80 1HG ARG 10 2HG ARG 10 -3.370 -7.512 2.780 81 2HG ARG 10 1HG ARG 10 -2.764 -7.778 1.145 82 1HD ARG 10 2HD ARG 10 -0.783 -8.078 2.305 83 2HD ARG 10 1HD ARG 10 -0.714 -6.314 2.132 84 HE ARG 10 HE ARG 10 -2.172 -7.366 4.475 85 1HH1 ARG 10 1HH1 ARG 10 1.038 -7.368 3.856 86 2HH1 ARG 10 2HH1 ARG 10 1.488 -6.172 5.025 87 1HH2 ARG 10 1HH2 ARG 10 -1.776 -5.198 5.677 88 2HH2 ARG 10 2HH2 ARG 10 -0.105 -4.944 6.058 89 H THR 11 HN THR 11 -6.721 -4.397 1.867 90 HA THR 11 HA THR 11 -6.623 -2.328 -0.124 91 HB THR 11 HB THR 11 -8.056 -2.427 2.544 92 HG1 THR 11 1HG THR 11 -9.040 -4.012 1.602 93 1HG2 THR 11 1HG2 THR 11 -9.719 -1.048 1.024 94 2HG2 THR 11 2HG2 THR 11 -8.254 -0.679 0.111 95 3HG2 THR 11 3HG2 THR 11 -8.367 -0.238 1.813 96 H PHE 12 HN PHE 12 -6.417 0.050 0.413 97 HA PHE 12 HA PHE 12 -4.555 0.580 2.695 98 1HB PHE 12 2HB PHE 12 -4.255 1.179 -0.257 99 2HB PHE 12 1HB PHE 12 -3.459 2.207 0.953 100 HD1 PHE 12 1HD PHE 12 -1.561 1.383 2.233 101 HD2 PHE 12 2HD PHE 12 -3.828 -1.187 -0.345 102 HE1 PHE 12 1HE PHE 12 0.188 -0.377 2.458 103 HE2 PHE 12 2HE PHE 12 -2.118 -2.955 -0.077 104 HZ PHE 12 HZ PHE 12 -0.101 -2.553 1.306 105 H ARG 13 HN ARG 13 -5.520 2.045 3.981 106 HA ARG 13 HA ARG 13 -7.306 4.121 2.755 107 1HB ARG 13 2HB ARG 13 -7.197 2.868 5.524 108 2HB ARG 13 1HB ARG 13 -8.336 4.124 5.040 109 1HG ARG 13 2HG ARG 13 -9.659 2.655 3.931 110 2HG ARG 13 1HG ARG 13 -8.283 1.850 3.181 111 1HD ARG 13 2HD ARG 13 -9.398 0.252 4.653 112 2HD ARG 13 1HD ARG 13 -7.854 0.704 5.403 113 HE ARG 13 HE ARG 13 -9.269 2.484 6.642 114 1HH1 ARG 13 1HH1 ARG 13 -11.449 0.629 5.034 115 2HH1 ARG 13 2HH1 ARG 13 -12.267 0.005 6.427 116 1HH2 ARG 13 1HH2 ARG 13 -9.899 1.178 8.672 117 2HH2 ARG 13 2HH2 ARG 13 -11.390 0.319 8.487 118 H ASN 14 HN ASN 14 -4.378 4.275 2.949 119 HA ASN 14 HA ASN 14 -4.152 6.857 4.329 120 1HB ASN 14 2HB ASN 14 -3.935 5.316 6.189 121 2HB ASN 14 1HB ASN 14 -2.774 4.329 5.300 122 1HD2 ASN 14 1HD2 ASN 14 -3.183 7.723 6.416 123 2HD2 ASN 14 2HD2 ASN 14 -1.544 7.959 6.798 124 H GLU 15 HN GLU 15 -2.397 8.028 3.513 125 HA GLU 15 HA GLU 15 -1.194 7.119 1.031 126 1HB GLU 15 2HB GLU 15 -1.873 9.475 1.783 127 2HB GLU 15 1HB GLU 15 -0.396 9.479 2.748 128 1HG GLU 15 2HG GLU 15 0.879 8.916 0.638 129 2HG GLU 15 1HG GLU 15 -0.616 9.189 -0.258 130 H LYS 16 HN LYS 16 0.178 7.885 4.258 131 HA LYS 16 HA LYS 16 2.862 7.292 3.798 132 1HB LYS 16 2HB LYS 16 1.107 6.810 6.208 133 2HB LYS 16 1HB LYS 16 2.869 6.751 6.261 134 1HG LYS 16 2HG LYS 16 2.980 9.081 5.461 135 2HG LYS 16 1HG LYS 16 1.219 9.146 5.398 136 1HD LYS 16 2HD LYS 16 1.000 9.260 7.682 137 2HD LYS 16 1HD LYS 16 2.439 8.282 7.973 138 1HE LYS 16 2HE LYS 16 2.922 10.924 6.695 139 2HE LYS 16 1HE LYS 16 2.400 10.958 8.392 140 1HZ LYS 16 1HZ LYS 16 4.799 10.694 8.248 141 2HZ LYS 16 2HZ LYS 16 4.611 9.308 7.284 142 3HZ LYS 16 3HZ LYS 16 4.090 9.297 8.902 143 H GLU 17 HN GLU 17 0.285 5.055 4.643 144 HA GLU 17 HA GLU 17 1.831 2.671 4.931 145 1HB GLU 17 2HB GLU 17 -1.010 3.356 4.209 146 2HB GLU 17 1HB GLU 17 -0.481 1.675 4.158 147 1HG GLU 17 2HG GLU 17 -0.197 3.500 6.562 148 2HG GLU 17 1HG GLU 17 -1.468 2.296 6.357 149 H LEU 18 HN LEU 18 -0.123 3.672 2.105 150 HA LEU 18 HA LEU 18 0.816 1.704 0.296 151 1HB LEU 18 2HB LEU 18 -1.105 3.520 0.241 152 2HB LEU 18 1HB LEU 18 0.117 4.502 -0.565 153 HG LEU 18 HG LEU 18 0.416 2.726 -2.256 154 1HD1 LEU 18 1HD1 LEU 18 -0.793 1.076 -0.378 155 2HD1 LEU 18 2HD1 LEU 18 -0.476 0.637 -2.036 156 3HD1 LEU 18 3HD1 LEU 18 -2.049 1.277 -1.580 157 1HD2 LEU 18 1HD2 LEU 18 -2.200 4.058 -1.752 158 2HD2 LEU 18 2HD2 LEU 18 -2.148 2.845 -3.031 159 3HD2 LEU 18 3HD2 LEU 18 -1.084 4.249 -3.105 160 H ARG 19 HN ARG 19 2.055 5.004 0.873 161 HA ARG 19 HA ARG 19 4.107 4.982 -1.112 162 1HB ARG 19 2HB ARG 19 3.756 6.353 1.563 163 2HB ARG 19 1HB ARG 19 5.120 6.704 0.500 164 1HG ARG 19 2HG ARG 19 3.347 7.088 -1.338 165 2HG ARG 19 1HG ARG 19 2.183 7.158 -0.015 166 1HD ARG 19 2HD ARG 19 2.963 9.185 0.738 167 2HD ARG 19 1HD ARG 19 4.646 8.806 0.315 168 HE ARG 19 HE ARG 19 2.558 9.617 -1.672 169 1HH1 ARG 19 1HH2 ARG 19 5.154 11.066 -0.526 170 2HH1 ARG 19 2HH2 ARG 19 6.135 11.011 -1.952 171 1HH2 ARG 19 1HH1 ARG 19 4.104 8.720 -3.582 172 2HH2 ARG 19 2HH1 ARG 19 5.540 9.683 -3.683 173 H ASP 20 HN ASP 20 3.878 3.334 1.952 174 HA ASP 20 HA ASP 20 6.802 2.761 1.985 175 1HB ASP 20 2HB ASP 20 5.434 3.590 3.985 176 2HB ASP 20 1HB ASP 20 4.670 2.000 3.995 177 H PHE 21 HN PHE 21 3.668 1.246 1.429 178 HA PHE 21 HA PHE 21 4.522 -1.506 1.697 179 1HB PHE 21 2HB PHE 21 2.191 -0.767 1.797 180 2HB PHE 21 1HB PHE 21 2.239 -0.263 0.120 181 HD1 PHE 21 1HD PHE 21 2.125 -1.879 -1.678 182 HD2 PHE 21 2HD PHE 21 2.572 -3.125 2.398 183 HE1 PHE 21 1HE PHE 21 1.725 -4.232 -2.357 184 HE2 PHE 21 2HE PHE 21 2.141 -5.486 1.733 185 HZ PHE 21 HZ PHE 21 1.724 -6.036 -0.652 186 H ILE 22 HN ILE 22 3.459 -0.004 -1.349 187 HA ILE 22 HA ILE 22 4.601 -1.770 -3.171 188 HB ILE 22 HB ILE 22 4.216 1.234 -3.353 189 1HG1 ILE 22 2HG1 ILE 22 2.248 -0.054 -4.806 190 2HG1 ILE 22 1HG1 ILE 22 2.466 -1.133 -3.434 191 1HG2 ILE 22 1HG2 ILE 22 4.205 0.915 -5.771 192 2HG2 ILE 22 2HG2 ILE 22 4.435 -0.821 -5.570 193 3HG2 ILE 22 3HG2 ILE 22 5.727 0.295 -5.129 194 1HD1 ILE 22 1HD1 ILE 22 1.483 0.304 -2.019 195 2HD1 ILE 22 2HD1 ILE 22 0.926 1.163 -3.456 196 3HD1 ILE 22 3HD1 ILE 22 2.405 1.675 -2.640 197 H GLU 23 HN GLU 23 6.135 0.903 -1.463 198 HA GLU 23 HA GLU 23 8.626 0.895 -2.958 199 1HB GLU 23 2HB GLU 23 7.657 1.946 -0.296 200 2HB GLU 23 1HB GLU 23 9.347 2.117 -0.771 201 1HG GLU 23 2HG GLU 23 8.258 3.019 -3.026 202 2HG GLU 23 1HG GLU 23 6.910 3.390 -1.948 203 H LYS 24 HN LYS 24 7.399 -0.817 -0.132 204 HA LYS 24 HA LYS 24 10.012 -2.058 0.459 205 1HB LYS 24 2HB LYS 24 8.369 -1.346 2.202 206 2HB LYS 24 1HB LYS 24 7.221 -2.525 1.568 207 1HG LYS 24 2HG LYS 24 8.349 -4.306 2.458 208 2HG LYS 24 1HG LYS 24 9.928 -3.565 2.204 209 1HD LYS 24 2HD LYS 24 9.953 -2.614 4.266 210 2HD LYS 24 1HD LYS 24 8.255 -2.150 4.175 211 1HE LYS 24 2HE LYS 24 7.598 -3.984 5.344 212 2HE LYS 24 1HE LYS 24 8.617 -5.061 4.371 213 1HZ LYS 24 1HZ LYS 24 9.683 -3.195 6.420 214 2HZ LYS 24 2HZ LYS 24 10.532 -4.411 5.597 215 3HZ LYS 24 3HZ LYS 24 9.341 -4.830 6.733 216 H PHE 25 HN PHE 25 6.770 -3.114 -0.645 217 HA PHE 25 HA PHE 25 7.753 -5.781 -1.306 218 1HB PHE 25 2HB PHE 25 5.526 -5.357 -0.310 219 2HB PHE 25 1HB PHE 25 5.084 -4.409 -1.730 220 HD1 PHE 25 1HD PHE 25 3.636 -5.549 -3.133 221 HD2 PHE 25 2HD PHE 25 6.792 -7.712 -1.189 222 HE1 PHE 25 1HE PHE 25 2.939 -7.619 -4.310 223 HE2 PHE 25 2HE PHE 25 6.097 -9.785 -2.362 224 HZ PHE 25 HZ PHE 25 4.169 -9.737 -3.924 225 H LYS 26 HN LYS 26 9.262 -4.113 -2.817 226 HA LYS 26 HA LYS 26 8.402 -3.082 -5.248 227 1HB LYS 26 2HB LYS 26 10.705 -3.679 -6.030 228 2HB LYS 26 1HB LYS 26 10.675 -2.897 -4.458 229 1HG LYS 26 2HG LYS 26 10.682 -5.286 -3.481 230 2HG LYS 26 1HG LYS 26 11.136 -5.807 -5.102 231 1HD LYS 26 2HD LYS 26 13.065 -4.233 -5.034 232 2HD LYS 26 1HD LYS 26 12.637 -3.821 -3.372 233 1HE LYS 26 2HE LYS 26 12.878 -6.729 -3.924 234 2HE LYS 26 1HE LYS 26 14.393 -5.805 -3.986 235 1HZ LYS 26 1HZ LYS 26 13.825 -6.530 -1.713 236 2HZ LYS 26 2HZ LYS 26 12.391 -5.623 -1.797 237 3HZ LYS 26 3HZ LYS 26 13.894 -4.839 -1.856 238 H GLY 27 HN GLY 27 9.264 -6.431 -4.630 239 1HA GLY 27 2HA GLY 27 8.595 -8.415 -5.708 240 2HA GLY 27 1HA GLY 27 7.378 -7.464 -6.560 241 H ARG 28 HN ARG 28 10.886 -8.114 -6.534 242 HA ARG 28 HA ARG 28 10.851 -7.984 -9.520 243 1HB ARG 28 2HB ARG 28 11.633 -5.871 -8.073 244 2HB ARG 28 1HB ARG 28 13.139 -6.787 -8.013 245 1HG ARG 28 2HG ARG 28 13.444 -5.567 -9.970 246 2HG ARG 28 1HG ARG 28 12.729 -7.050 -10.606 247 1HD ARG 28 2HD ARG 28 11.493 -5.268 -11.625 248 2HD ARG 28 1HD ARG 28 10.449 -5.857 -10.316 249 HE ARG 28 HE ARG 28 12.344 -3.652 -9.695 250 1HH1 ARG 28 1HH2 ARG 28 9.655 -4.954 -8.464 251 2HH1 ARG 28 2HH2 ARG 28 8.658 -3.539 -8.518 252 1HH2 ARG 28 1HH1 ARG 28 10.844 -1.752 -10.532 253 2HH2 ARG 28 2HH1 ARG 28 9.331 -1.726 -9.689 Start of MODEL 18 1 1H GLU 1 1HT GLU 1 -14.554 7.610 2.767 2 2H GLU 1 2HT GLU 1 -14.383 9.022 3.697 3 3H GLU 1 3HT GLU 1 -15.160 7.660 4.351 4 HA GLU 1 HA GLU 1 -12.823 7.999 5.151 5 1HB GLU 1 2HB GLU 1 -12.373 5.558 4.870 6 2HB GLU 1 1HB GLU 1 -14.050 5.883 5.300 7 1HG GLU 1 2HG GLU 1 -14.847 5.206 3.261 8 2HG GLU 1 1HG GLU 1 -13.441 5.818 2.391 9 H GLN 2 HN GLN 2 -10.730 6.509 4.188 10 HA GLN 2 HA GLN 2 -9.606 8.234 2.124 11 1HB GLN 2 2HB GLN 2 -8.787 6.031 3.931 12 2HB GLN 2 1HB GLN 2 -7.866 6.149 2.432 13 1HG GLN 2 2HG GLN 2 -6.648 7.670 3.630 14 2HG GLN 2 1HG GLN 2 -7.939 8.765 3.135 15 1HE2 GLN 2 1HE2 GLN 2 -6.227 7.928 5.823 16 2HE2 GLN 2 2HE2 GLN 2 -7.398 8.207 7.020 17 H TYR 3 HN TYR 3 -8.269 6.806 0.354 18 HA TYR 3 HA TYR 3 -10.249 5.750 -1.448 19 1HB TYR 3 2HB TYR 3 -8.291 5.367 -2.884 20 2HB TYR 3 1HB TYR 3 -8.201 6.950 -2.115 21 HD1 TYR 3 1HD TYR 3 -6.393 7.513 -0.686 22 HD2 TYR 3 2HD TYR 3 -7.020 3.432 -1.847 23 HE1 TYR 3 1HE TYR 3 -4.218 6.889 0.307 24 HE2 TYR 3 2HE TYR 3 -4.871 2.814 -0.872 25 HH TYR 3 HH TYR 3 -2.538 5.136 0.109 26 H THR 4 HN THR 4 -9.273 3.499 -2.596 27 HA THR 4 HA THR 4 -9.487 1.479 -0.401 28 HB THR 4 HB THR 4 -10.092 1.332 -3.373 29 HG1 THR 4 1HG THR 4 -12.090 1.796 -2.823 30 1HG2 THR 4 1HG2 THR 4 -10.581 -0.625 -1.112 31 2HG2 THR 4 2HG2 THR 4 -9.506 -0.861 -2.490 32 3HG2 THR 4 3HG2 THR 4 -11.251 -0.785 -2.735 33 H ALA 5 HN ALA 5 -8.155 1.338 -3.708 34 HA ALA 5 HA ALA 5 -6.235 0.319 -4.566 35 1HB ALA 5 1HB ALA 5 -5.626 2.355 -2.789 36 2HB ALA 5 2HB ALA 5 -4.550 1.651 -3.988 37 3HB ALA 5 3HB ALA 5 -4.537 1.043 -2.333 38 H LYS 6 HN LYS 6 -6.141 -1.822 -4.556 39 HA LYS 6 HA LYS 6 -5.411 -3.241 -2.015 40 1HB LYS 6 2HB LYS 6 -6.579 -5.200 -3.066 41 2HB LYS 6 1HB LYS 6 -7.653 -3.834 -2.764 42 1HG LYS 6 2HG LYS 6 -7.644 -3.189 -5.056 43 2HG LYS 6 1HG LYS 6 -6.283 -4.249 -5.424 44 1HD LYS 6 2HD LYS 6 -8.005 -6.085 -4.457 45 2HD LYS 6 1HD LYS 6 -9.164 -4.914 -5.087 46 1HE LYS 6 2HE LYS 6 -7.978 -4.966 -7.288 47 2HE LYS 6 1HE LYS 6 -6.914 -6.234 -6.647 48 1HZ LYS 6 1HZ LYS 6 -9.876 -6.334 -6.869 49 2HZ LYS 6 2HZ LYS 6 -8.944 -7.495 -6.051 50 3HZ LYS 6 3HZ LYS 6 -8.759 -7.286 -7.724 51 H TYR 7 HN TYR 7 -3.678 -4.670 -2.154 52 HA TYR 7 HA TYR 7 -2.246 -4.763 -4.789 53 1HB TYR 7 2HB TYR 7 -1.301 -4.347 -1.947 54 2HB TYR 7 1HB TYR 7 -0.191 -4.739 -3.265 55 HD1 TYR 7 1HD TYR 7 0.611 -3.053 -4.659 56 HD2 TYR 7 2HD TYR 7 -2.922 -2.370 -2.336 57 HE1 TYR 7 1HE TYR 7 0.606 -0.690 -5.381 58 HE2 TYR 7 2HE TYR 7 -2.956 0.003 -3.052 59 HH TYR 7 HH TYR 7 -2.069 1.331 -5.021 60 H LYS 8 HN LYS 8 -1.515 -6.369 -1.697 61 HA LYS 8 HA LYS 8 -1.800 -9.013 -3.087 62 1HB LYS 8 2HB LYS 8 0.372 -7.793 -1.827 63 2HB LYS 8 1HB LYS 8 -0.233 -8.905 -0.601 64 1HG LYS 8 2HG LYS 8 0.367 -9.684 -3.470 65 2HG LYS 8 1HG LYS 8 1.466 -9.947 -2.117 66 1HD LYS 8 2HD LYS 8 -1.264 -10.928 -1.611 67 2HD LYS 8 1HD LYS 8 -0.469 -11.732 -2.963 68 1HE LYS 8 2HE LYS 8 0.109 -12.980 -0.975 69 2HE LYS 8 1HE LYS 8 1.552 -12.044 -1.412 70 1HZ LYS 8 1HZ LYS 8 -0.546 -11.073 0.450 71 2HZ LYS 8 2HZ LYS 8 0.953 -10.343 0.122 72 3HZ LYS 8 3HZ LYS 8 0.888 -11.818 0.963 73 H GLY 9 HN GLY 9 -4.172 -8.224 -2.245 74 1HA GLY 9 2HA GLY 9 -5.963 -8.950 -0.894 75 2HA GLY 9 1HA GLY 9 -4.826 -9.989 -0.029 76 H ARG 10 HN ARG 10 -4.291 -6.547 -0.454 77 HA ARG 10 HA ARG 10 -5.068 -6.014 2.383 78 1HB ARG 10 2HB ARG 10 -2.388 -5.372 1.093 79 2HB ARG 10 1HB ARG 10 -2.856 -4.988 2.749 80 1HG ARG 10 2HG ARG 10 -3.122 -7.401 3.236 81 2HG ARG 10 1HG ARG 10 -2.618 -7.781 1.589 82 1HD ARG 10 2HD ARG 10 -0.630 -8.004 2.893 83 2HD ARG 10 1HD ARG 10 -0.483 -6.404 2.138 84 HE ARG 10 HE ARG 10 -1.475 -5.479 4.284 85 1HH1 ARG 10 1HH2 ARG 10 1.076 -7.591 4.199 86 2HH1 ARG 10 2HH2 ARG 10 1.001 -8.060 5.865 87 1HH2 ARG 10 1HH1 ARG 10 -2.045 -6.503 6.439 88 2HH2 ARG 10 2HH1 ARG 10 -0.766 -7.443 7.133 89 H THR 11 HN THR 11 -6.720 -4.520 1.726 90 HA THR 11 HA THR 11 -6.374 -2.569 -0.362 91 HB THR 11 HB THR 11 -8.145 -2.472 2.105 92 HG1 THR 11 1HG THR 11 -8.736 -4.296 1.150 93 1HG2 THR 11 1HG2 THR 11 -9.618 -1.143 0.563 94 2HG2 THR 11 2HG2 THR 11 -8.314 -1.158 -0.625 95 3HG2 THR 11 3HG2 THR 11 -8.087 -0.343 0.922 96 H PHE 12 HN PHE 12 -6.268 -0.160 0.111 97 HA PHE 12 HA PHE 12 -4.586 0.445 2.516 98 1HB PHE 12 2HB PHE 12 -4.217 1.023 -0.425 99 2HB PHE 12 1HB PHE 12 -3.449 2.056 0.798 100 HD1 PHE 12 1HD PHE 12 -1.700 1.173 2.287 101 HD2 PHE 12 2HD PHE 12 -3.632 -1.292 -0.663 102 HE1 PHE 12 1HE PHE 12 0.060 -0.563 2.580 103 HE2 PHE 12 2HE PHE 12 -1.887 -3.044 -0.341 104 HZ PHE 12 HZ PHE 12 -0.045 -2.667 1.270 105 H ARG 13 HN ARG 13 -5.121 2.332 3.570 106 HA ARG 13 HA ARG 13 -7.122 4.163 2.289 107 1HB ARG 13 2HB ARG 13 -7.146 2.653 4.880 108 2HB ARG 13 1HB ARG 13 -7.902 4.247 4.840 109 1HG ARG 13 2HG ARG 13 -9.599 3.561 3.460 110 2HG ARG 13 1HG ARG 13 -8.568 2.423 2.589 111 1HD ARG 13 2HD ARG 13 -8.668 0.841 4.457 112 2HD ARG 13 1HD ARG 13 -9.621 1.995 5.410 113 HE ARG 13 HE ARG 13 -10.595 0.971 2.772 114 1HH1 ARG 13 1HH1 ARG 13 -11.482 2.879 5.331 115 2HH1 ARG 13 2HH1 ARG 13 -12.950 2.039 5.703 116 1HH2 ARG 13 1HH2 ARG 13 -12.284 -0.616 3.574 117 2HH2 ARG 13 2HH2 ARG 13 -13.406 0.061 4.707 118 H ASN 14 HN ASN 14 -4.246 4.480 2.476 119 HA ASN 14 HA ASN 14 -4.099 7.115 3.696 120 1HB ASN 14 2HB ASN 14 -4.020 5.790 5.724 121 2HB ASN 14 1HB ASN 14 -2.811 4.710 5.035 122 1HD2 ASN 14 1HD2 ASN 14 -3.268 8.191 5.815 123 2HD2 ASN 14 2HD2 ASN 14 -1.653 8.461 6.265 124 H GLU 15 HN GLU 15 -2.424 8.227 2.727 125 HA GLU 15 HA GLU 15 -0.979 7.082 0.521 126 1HB GLU 15 2HB GLU 15 -1.478 9.622 1.710 127 2HB GLU 15 1HB GLU 15 0.273 9.459 1.604 128 1HG GLU 15 2HG GLU 15 0.151 9.001 -0.771 129 2HG GLU 15 1HG GLU 15 -1.611 8.934 -0.711 130 H LYS 16 HN LYS 16 0.133 8.086 3.774 131 HA LYS 16 HA LYS 16 2.832 7.357 3.593 132 1HB LYS 16 2HB LYS 16 0.782 7.694 5.699 133 2HB LYS 16 1HB LYS 16 2.227 6.803 6.179 134 1HG LYS 16 2HG LYS 16 3.635 8.667 5.312 135 2HG LYS 16 1HG LYS 16 2.168 9.569 4.932 136 1HD LYS 16 2HD LYS 16 1.592 9.069 7.470 137 2HD LYS 16 1HD LYS 16 3.344 8.904 7.605 138 1HE LYS 16 2HE LYS 16 3.723 11.145 6.907 139 2HE LYS 16 1HE LYS 16 2.075 11.308 6.269 140 1HZ LYS 16 1HZ LYS 16 2.727 10.784 9.119 141 2HZ LYS 16 2HZ LYS 16 1.188 11.072 8.469 142 3HZ LYS 16 3HZ LYS 16 2.344 12.317 8.495 143 H GLU 17 HN GLU 17 0.111 5.382 4.625 144 HA GLU 17 HA GLU 17 1.405 2.969 5.304 145 1HB GLU 17 2HB GLU 17 -1.259 3.784 4.211 146 2HB GLU 17 1HB GLU 17 -0.877 2.067 4.214 147 1HG GLU 17 2HG GLU 17 -0.787 3.889 6.632 148 2HG GLU 17 1HG GLU 17 -2.056 2.721 6.263 149 H LEU 18 HN LEU 18 -0.287 3.453 2.220 150 HA LEU 18 HA LEU 18 0.813 1.266 0.850 151 1HB LEU 18 2HB LEU 18 -1.168 2.736 0.275 152 2HB LEU 18 1HB LEU 18 -0.020 3.922 -0.342 153 HG LEU 18 HG LEU 18 0.898 2.117 -1.844 154 1HD1 LEU 18 1HD1 LEU 18 -0.285 0.316 -0.321 155 2HD1 LEU 18 2HD1 LEU 18 -0.147 0.037 -2.048 156 3HD1 LEU 18 3HD1 LEU 18 -1.662 0.626 -1.366 157 1HD2 LEU 18 1HD2 LEU 18 -1.928 2.240 -2.653 158 2HD2 LEU 18 2HD2 LEU 18 -0.497 2.872 -3.466 159 3HD2 LEU 18 3HD2 LEU 18 -1.263 3.804 -2.183 160 H ARG 19 HN ARG 19 1.971 4.679 0.740 161 HA ARG 19 HA ARG 19 4.091 4.317 -1.094 162 1HB ARG 19 2HB ARG 19 3.694 6.078 1.336 163 2HB ARG 19 1HB ARG 19 5.126 6.227 0.318 164 1HG ARG 19 2HG ARG 19 3.392 6.326 -1.646 165 2HG ARG 19 1HG ARG 19 2.254 6.774 -0.373 166 1HD ARG 19 2HD ARG 19 3.172 8.837 -1.236 167 2HD ARG 19 1HD ARG 19 3.962 8.557 0.329 168 HE ARG 19 HE ARG 19 5.936 7.747 -0.867 169 1HH1 ARG 19 1HH1 ARG 19 5.240 10.425 -2.169 170 2HH1 ARG 19 2HH1 ARG 19 5.410 10.030 -3.847 171 1HH2 ARG 19 1HH2 ARG 19 5.360 6.603 -3.317 172 2HH2 ARG 19 2HH2 ARG 19 5.478 7.867 -4.496 173 H ASP 20 HN ASP 20 3.895 3.476 2.330 174 HA ASP 20 HA ASP 20 6.725 2.759 2.604 175 1HB ASP 20 2HB ASP 20 4.188 2.666 4.188 176 2HB ASP 20 1HB ASP 20 5.457 1.532 4.656 177 H PHE 21 HN PHE 21 3.639 1.139 2.049 178 HA PHE 21 HA PHE 21 4.493 -1.609 2.017 179 1HB PHE 21 2HB PHE 21 2.164 -0.950 2.095 180 2HB PHE 21 1HB PHE 21 2.299 -0.047 0.600 181 HD1 PHE 21 1HD PHE 21 2.086 -1.117 -1.536 182 HD2 PHE 21 2HD PHE 21 2.548 -3.407 2.071 183 HE1 PHE 21 1HE PHE 21 1.597 -3.211 -2.791 184 HE2 PHE 21 2HE PHE 21 2.040 -5.502 0.819 185 HZ PHE 21 HZ PHE 21 1.571 -5.396 -1.616 186 H ILE 22 HN ILE 22 3.717 0.525 -0.667 187 HA ILE 22 HA ILE 22 4.534 -0.888 -2.906 188 HB ILE 22 HB ILE 22 4.813 2.064 -2.243 189 1HG1 ILE 22 2HG1 ILE 22 2.532 1.028 -1.991 190 2HG1 ILE 22 1HG1 ILE 22 2.597 2.257 -3.247 191 1HG2 ILE 22 1HG2 ILE 22 4.750 2.450 -4.663 192 2HG2 ILE 22 2HG2 ILE 22 4.677 0.710 -4.949 193 3HG2 ILE 22 3HG2 ILE 22 6.131 1.430 -4.254 194 1HD1 ILE 22 1HD1 ILE 22 1.877 -0.517 -3.442 195 2HD1 ILE 22 2HD1 ILE 22 3.260 -0.197 -4.486 196 3HD1 ILE 22 3HD1 ILE 22 1.780 0.741 -4.672 197 H GLU 23 HN GLU 23 6.549 0.804 -0.573 198 HA GLU 23 HA GLU 23 9.029 0.760 -2.065 199 1HB GLU 23 2HB GLU 23 8.410 2.179 -0.058 200 2HB GLU 23 1HB GLU 23 8.595 0.736 0.938 201 1HG GLU 23 2HG GLU 23 10.745 1.506 1.125 202 2HG GLU 23 1HG GLU 23 10.936 0.647 -0.403 203 H LYS 24 HN LYS 24 7.710 -1.368 0.493 204 HA LYS 24 HA LYS 24 9.899 -3.260 0.419 205 1HB LYS 24 2HB LYS 24 7.946 -2.737 2.145 206 2HB LYS 24 1HB LYS 24 7.099 -3.980 1.227 207 1HG LYS 24 2HG LYS 24 8.153 -5.445 2.604 208 2HG LYS 24 1HG LYS 24 9.568 -5.141 1.598 209 1HD LYS 24 2HD LYS 24 10.029 -3.144 3.164 210 2HD LYS 24 1HD LYS 24 8.857 -3.890 4.252 211 1HE LYS 24 2HE LYS 24 10.230 -6.040 4.061 212 2HE LYS 24 1HE LYS 24 11.485 -5.049 3.287 213 1HZ LYS 24 1HZ LYS 24 10.275 -4.636 5.968 214 2HZ LYS 24 2HZ LYS 24 11.278 -3.499 5.201 215 3HZ LYS 24 3HZ LYS 24 11.889 -5.026 5.626 216 H PHE 25 HN PHE 25 6.567 -3.395 -0.881 217 HA PHE 25 HA PHE 25 7.255 -5.714 -2.538 218 1HB PHE 25 2HB PHE 25 5.171 -5.593 -1.202 219 2HB PHE 25 1HB PHE 25 4.682 -4.170 -2.120 220 HD1 PHE 25 1HD PHE 25 3.125 -4.569 -3.780 221 HD2 PHE 25 2HD PHE 25 6.045 -7.589 -2.893 222 HE1 PHE 25 1HE PHE 25 2.149 -6.027 -5.534 223 HE2 PHE 25 2HE PHE 25 5.069 -9.048 -4.645 224 HZ PHE 25 HZ PHE 25 3.121 -8.266 -5.966 225 H LYS 26 HN LYS 26 8.812 -4.006 -3.685 226 HA LYS 26 HA LYS 26 7.916 -1.928 -5.345 227 1HB LYS 26 2HB LYS 26 10.101 -3.990 -5.622 228 2HB LYS 26 1HB LYS 26 9.942 -2.638 -6.743 229 1HG LYS 26 2HG LYS 26 10.366 -1.037 -5.059 230 2HG LYS 26 1HG LYS 26 10.034 -2.187 -3.763 231 1HD LYS 26 2HD LYS 26 12.041 -3.518 -4.618 232 2HD LYS 26 1HD LYS 26 12.436 -2.105 -5.597 233 1HE LYS 26 2HE LYS 26 13.215 -0.945 -3.796 234 2HE LYS 26 1HE LYS 26 11.865 -1.469 -2.770 235 1HZ LYS 26 1HZ LYS 26 12.878 -3.668 -2.633 236 2HZ LYS 26 2HZ LYS 26 13.931 -2.483 -2.031 237 3HZ LYS 26 3HZ LYS 26 14.188 -3.141 -3.577 238 H GLY 27 HN GLY 27 8.242 -5.339 -6.191 239 1HA GLY 27 2HA GLY 27 6.185 -6.203 -7.494 240 2HA GLY 27 1HA GLY 27 6.541 -4.872 -8.596 241 H ARG 28 HN ARG 28 9.316 -5.000 -8.719 242 HA ARG 28 HA ARG 28 9.700 -7.327 -10.462 243 1HB ARG 28 2HB ARG 28 10.521 -4.932 -10.802 244 2HB ARG 28 1HB ARG 28 11.712 -5.257 -9.542 245 1HG ARG 28 2HG ARG 28 12.878 -6.787 -10.843 246 2HG ARG 28 1HG ARG 28 11.463 -7.193 -11.814 247 1HD ARG 28 2HD ARG 28 11.689 -5.300 -13.177 248 2HD ARG 28 1HD ARG 28 12.614 -4.410 -11.953 249 HE ARG 28 HE ARG 28 14.042 -6.794 -12.681 250 1HH1 ARG 28 1HH1 ARG 28 14.160 -3.485 -12.844 251 2HH1 ARG 28 2HH1 ARG 28 15.077 -3.393 -14.311 252 1HH2 ARG 28 1HH2 ARG 28 14.783 -6.777 -15.016 253 2HH2 ARG 28 2HH2 ARG 28 15.428 -5.258 -15.541 Start of MODEL 19 1 1H GLU 1 1HT GLU 1 -13.327 10.431 4.868 2 2H GLU 1 2HT GLU 1 -12.338 9.471 5.862 3 3H GLU 1 3HT GLU 1 -14.030 9.375 5.995 4 HA GLU 1 HA GLU 1 -13.358 7.460 4.782 5 1HB GLU 1 2HB GLU 1 -14.539 9.781 3.255 6 2HB GLU 1 1HB GLU 1 -14.405 8.185 2.515 7 1HG GLU 1 2HG GLU 1 -15.981 7.251 3.909 8 2HG GLU 1 1HG GLU 1 -15.575 8.318 5.254 9 H GLN 2 HN GLN 2 -11.587 6.559 3.817 10 HA GLN 2 HA GLN 2 -9.725 8.348 2.298 11 1HB GLN 2 2HB GLN 2 -9.335 6.708 4.480 12 2HB GLN 2 1HB GLN 2 -8.830 5.667 3.149 13 1HG GLN 2 2HG GLN 2 -6.844 6.786 3.571 14 2HG GLN 2 1HG GLN 2 -7.553 7.855 2.361 15 1HE2 GLN 2 1HE2 GLN 2 -7.166 9.977 3.020 16 2HE2 GLN 2 2HE2 GLN 2 -7.370 10.555 4.602 17 H TYR 3 HN TYR 3 -8.344 6.727 0.735 18 HA TYR 3 HA TYR 3 -10.262 5.784 -1.247 19 1HB TYR 3 2HB TYR 3 -8.273 5.557 -2.624 20 2HB TYR 3 1HB TYR 3 -8.168 7.062 -1.714 21 HD1 TYR 3 1HD TYR 3 -6.432 7.429 -0.119 22 HD2 TYR 3 2HD TYR 3 -7.017 3.532 -1.819 23 HE1 TYR 3 1HE TYR 3 -4.299 6.671 0.872 24 HE2 TYR 3 2HE TYR 3 -4.907 2.781 -0.838 25 HH TYR 3 HH TYR 3 -2.561 4.800 0.291 26 H THR 4 HN THR 4 -9.231 3.576 -2.389 27 HA THR 4 HA THR 4 -9.398 1.519 -0.222 28 HB THR 4 HB THR 4 -9.963 0.161 -2.483 29 HG1 THR 4 1HG THR 4 -10.949 1.442 -3.949 30 1HG2 THR 4 1HG2 THR 4 -11.348 0.513 -0.396 31 2HG2 THR 4 2HG2 THR 4 -12.274 0.389 -1.892 32 3HG2 THR 4 3HG2 THR 4 -11.992 1.968 -1.159 33 H ALA 5 HN ALA 5 -8.208 1.248 -3.564 34 HA ALA 5 HA ALA 5 -6.235 0.336 -4.447 35 1HB ALA 5 1HB ALA 5 -5.637 2.364 -2.675 36 2HB ALA 5 2HB ALA 5 -4.515 1.620 -3.812 37 3HB ALA 5 3HB ALA 5 -4.588 1.038 -2.145 38 H LYS 6 HN LYS 6 -6.192 -1.836 -4.419 39 HA LYS 6 HA LYS 6 -5.626 -3.231 -1.829 40 1HB LYS 6 2HB LYS 6 -6.649 -5.204 -2.988 41 2HB LYS 6 1HB LYS 6 -7.762 -3.852 -2.783 42 1HG LYS 6 2HG LYS 6 -7.500 -3.184 -5.074 43 2HG LYS 6 1HG LYS 6 -6.157 -4.303 -5.311 44 1HD LYS 6 2HD LYS 6 -8.033 -6.054 -4.486 45 2HD LYS 6 1HD LYS 6 -9.082 -4.844 -5.224 46 1HE LYS 6 2HE LYS 6 -7.771 -4.981 -7.323 47 2HE LYS 6 1HE LYS 6 -6.736 -6.218 -6.582 48 1HZ LYS 6 1HZ LYS 6 -9.693 -6.401 -6.819 49 2HZ LYS 6 2HZ LYS 6 -8.660 -7.591 -6.191 50 3HZ LYS 6 3HZ LYS 6 -8.592 -7.194 -7.842 51 H TYR 7 HN TYR 7 -3.881 -4.557 -1.700 52 HA TYR 7 HA TYR 7 -2.229 -4.984 -4.165 53 1HB TYR 7 2HB TYR 7 -1.415 -4.071 -1.398 54 2HB TYR 7 1HB TYR 7 -0.268 -4.599 -2.614 55 HD1 TYR 7 1HD TYR 7 0.460 -3.174 -4.274 56 HD2 TYR 7 2HD TYR 7 -3.032 -2.197 -2.005 57 HE1 TYR 7 1HE TYR 7 0.436 -0.934 -5.308 58 HE2 TYR 7 2HE TYR 7 -3.097 0.056 -3.019 59 HH TYR 7 HH TYR 7 -1.948 0.931 -5.588 60 H LYS 8 HN LYS 8 -2.134 -7.167 -4.463 61 HA LYS 8 HA LYS 8 -2.033 -9.483 -4.009 62 1HB LYS 8 2HB LYS 8 -0.545 -8.259 -1.670 63 2HB LYS 8 1HB LYS 8 -0.554 -9.989 -2.011 64 1HG LYS 8 2HG LYS 8 0.335 -7.863 -3.981 65 2HG LYS 8 1HG LYS 8 1.431 -8.815 -2.982 66 1HD LYS 8 2HD LYS 8 0.170 -10.869 -4.005 67 2HD LYS 8 1HD LYS 8 -0.318 -9.722 -5.254 68 1HE LYS 8 2HE LYS 8 1.695 -10.570 -6.133 69 2HE LYS 8 1HE LYS 8 2.260 -9.117 -5.284 70 1HZ LYS 8 1HZ LYS 8 2.048 -11.783 -3.997 71 2HZ LYS 8 2HZ LYS 8 2.798 -10.391 -3.375 72 3HZ LYS 8 3HZ LYS 8 3.484 -11.204 -4.696 73 H GLY 9 HN GLY 9 -4.307 -7.778 -2.779 74 1HA GLY 9 2HA GLY 9 -6.301 -8.732 -1.795 75 2HA GLY 9 1HA GLY 9 -5.296 -9.932 -0.988 76 H ARG 10 HN ARG 10 -4.726 -6.421 -1.007 77 HA ARG 10 HA ARG 10 -5.621 -6.227 1.829 78 1HB ARG 10 2HB ARG 10 -2.823 -5.608 0.817 79 2HB ARG 10 1HB ARG 10 -3.397 -5.341 2.463 80 1HG ARG 10 2HG ARG 10 -3.941 -7.812 2.574 81 2HG ARG 10 1HG ARG 10 -3.090 -7.994 1.040 82 1HD ARG 10 2HD ARG 10 -1.017 -7.576 1.982 83 2HD ARG 10 1HD ARG 10 -1.693 -6.553 3.265 84 HE ARG 10 HE ARG 10 -1.569 -9.500 3.299 85 1HH1 ARG 10 1HH2 ARG 10 -0.807 -7.965 5.684 86 2HH1 ARG 10 2HH2 ARG 10 -2.216 -8.064 6.686 87 1HH2 ARG 10 1HH1 ARG 10 -4.312 -9.038 4.103 88 2HH2 ARG 10 2HH1 ARG 10 -4.200 -8.669 5.792 89 H THR 11 HN THR 11 -7.027 -4.473 1.613 90 HA THR 11 HA THR 11 -6.647 -2.392 -0.351 91 HB THR 11 HB THR 11 -8.328 -2.308 2.165 92 HG1 THR 11 1HG THR 11 -8.922 -3.390 -0.389 93 1HG2 THR 11 1HG2 THR 11 -9.800 -0.937 0.622 94 2HG2 THR 11 2HG2 THR 11 -8.474 -0.952 -0.540 95 3HG2 THR 11 3HG2 THR 11 -8.259 -0.181 1.030 96 H PHE 12 HN PHE 12 -6.409 -0.047 0.301 97 HA PHE 12 HA PHE 12 -4.609 0.311 2.670 98 1HB PHE 12 2HB PHE 12 -4.299 1.009 -0.245 99 2HB PHE 12 1HB PHE 12 -3.531 2.044 0.979 100 HD1 PHE 12 1HD PHE 12 -1.602 1.265 2.229 101 HD2 PHE 12 2HD PHE 12 -3.831 -1.364 -0.325 102 HE1 PHE 12 1HE PHE 12 0.183 -0.458 2.454 103 HE2 PHE 12 2HE PHE 12 -2.084 -3.105 -0.049 104 HZ PHE 12 HZ PHE 12 -0.070 -2.648 1.320 105 H ARG 13 HN ARG 13 -5.124 2.065 3.922 106 HA ARG 13 HA ARG 13 -7.056 4.079 2.822 107 1HB ARG 13 2HB ARG 13 -8.088 4.050 5.089 108 2HB ARG 13 1HB ARG 13 -8.153 2.464 4.323 109 1HG ARG 13 2HG ARG 13 -6.171 1.748 5.592 110 2HG ARG 13 1HG ARG 13 -6.060 3.343 6.336 111 1HD ARG 13 2HD ARG 13 -8.252 3.038 7.401 112 2HD ARG 13 1HD ARG 13 -8.428 1.457 6.613 113 HE ARG 13 HE ARG 13 -6.188 2.065 8.510 114 1HH1 ARG 13 1HH1 ARG 13 -9.074 0.542 8.654 115 2HH1 ARG 13 2HH1 ARG 13 -8.467 -1.052 8.958 116 1HH2 ARG 13 1HH2 ARG 13 -5.177 -0.221 8.246 117 2HH2 ARG 13 2HH2 ARG 13 -6.261 -1.484 8.727 118 H ASN 14 HN ASN 14 -4.222 4.382 2.814 119 HA ASN 14 HA ASN 14 -3.928 6.884 4.258 120 1HB ASN 14 2HB ASN 14 -3.707 5.312 6.121 121 2HB ASN 14 1HB ASN 14 -2.483 4.395 5.241 122 1HD2 ASN 14 1HD2 ASN 14 -3.088 7.776 6.302 123 2HD2 ASN 14 2HD2 ASN 14 -1.475 8.098 6.726 124 H GLU 15 HN GLU 15 -2.278 8.060 3.314 125 HA GLU 15 HA GLU 15 -1.051 7.118 0.883 126 1HB GLU 15 2HB GLU 15 -1.595 9.516 2.098 127 2HB GLU 15 1HB GLU 15 0.155 9.415 2.305 128 1HG GLU 15 2HG GLU 15 0.566 9.451 0.022 129 2HG GLU 15 1HG GLU 15 -1.004 8.753 -0.375 130 H LYS 16 HN LYS 16 0.329 7.818 4.119 131 HA LYS 16 HA LYS 16 3.007 7.166 3.645 132 1HB LYS 16 2HB LYS 16 1.789 8.108 5.714 133 2HB LYS 16 1HB LYS 16 1.519 6.423 6.156 134 1HG LYS 16 2HG LYS 16 4.241 6.540 5.475 135 2HG LYS 16 1HG LYS 16 3.947 8.020 6.386 136 1HD LYS 16 2HD LYS 16 2.677 6.441 8.045 137 2HD LYS 16 1HD LYS 16 3.610 5.164 7.266 138 1HE LYS 16 2HE LYS 16 5.312 7.447 7.914 139 2HE LYS 16 1HE LYS 16 4.504 6.804 9.357 140 1HZ LYS 16 1HZ LYS 16 6.593 5.616 8.761 141 2HZ LYS 16 2HZ LYS 16 5.847 5.107 7.321 142 3HZ LYS 16 3HZ LYS 16 5.225 4.610 8.820 143 H GLU 17 HN GLU 17 0.362 5.024 4.505 144 HA GLU 17 HA GLU 17 1.831 2.594 4.823 145 1HB GLU 17 2HB GLU 17 -0.994 3.341 4.067 146 2HB GLU 17 1HB GLU 17 -0.505 1.648 4.132 147 1HG GLU 17 2HG GLU 17 -0.161 3.614 6.412 148 2HG GLU 17 1HG GLU 17 -1.492 2.464 6.278 149 H LEU 18 HN LEU 18 -0.068 3.685 1.999 150 HA LEU 18 HA LEU 18 0.845 1.633 0.227 151 1HB LEU 18 2HB LEU 18 -1.149 3.372 0.194 152 2HB LEU 18 1HB LEU 18 0.002 4.366 -0.696 153 HG LEU 18 HG LEU 18 0.310 2.529 -2.320 154 1HD1 LEU 18 1HD1 LEU 18 -0.744 0.910 -0.351 155 2HD1 LEU 18 2HD1 LEU 18 -0.543 0.429 -2.014 156 3HD1 LEU 18 3HD1 LEU 18 -2.091 1.049 -1.460 157 1HD2 LEU 18 1HD2 LEU 18 -2.589 3.288 -1.880 158 2HD2 LEU 18 2HD2 LEU 18 -1.887 2.737 -3.400 159 3HD2 LEU 18 3HD2 LEU 18 -1.391 4.282 -2.709 160 H ARG 19 HN ARG 19 1.986 4.985 0.712 161 HA ARG 19 HA ARG 19 3.959 4.981 -1.358 162 1HB ARG 19 2HB ARG 19 3.608 6.428 1.269 163 2HB ARG 19 1HB ARG 19 4.979 6.764 0.212 164 1HG ARG 19 2HG ARG 19 2.266 6.725 -1.027 165 2HG ARG 19 1HG ARG 19 2.680 8.111 -0.018 166 1HD ARG 19 2HD ARG 19 4.374 8.820 -1.451 167 2HD ARG 19 1HD ARG 19 4.662 7.186 -2.081 168 HE ARG 19 HE ARG 19 2.837 7.481 -3.581 169 1HH1 ARG 19 1HH2 ARG 19 3.654 10.356 -3.681 170 2HH1 ARG 19 2HH2 ARG 19 2.165 11.171 -3.331 171 1HH2 ARG 19 1HH1 ARG 19 0.614 8.348 -2.048 172 2HH2 ARG 19 2HH1 ARG 19 0.443 10.034 -2.405 173 H ASP 20 HN ASP 20 3.896 3.423 1.761 174 HA ASP 20 HA ASP 20 6.835 2.930 1.697 175 1HB ASP 20 2HB ASP 20 4.618 2.603 3.733 176 2HB ASP 20 1HB ASP 20 6.245 1.974 4.007 177 H PHE 21 HN PHE 21 3.713 1.313 1.382 178 HA PHE 21 HA PHE 21 4.622 -1.407 1.634 179 1HB PHE 21 2HB PHE 21 2.291 -0.738 1.802 180 2HB PHE 21 1HB PHE 21 2.272 -0.181 0.143 181 HD1 PHE 21 1HD PHE 21 2.025 -1.728 -1.677 182 HD2 PHE 21 2HD PHE 21 2.770 -3.119 2.302 183 HE1 PHE 21 1HE PHE 21 1.581 -4.053 -2.417 184 HE2 PHE 21 2HE PHE 21 2.303 -5.458 1.581 185 HZ PHE 21 HZ PHE 21 1.712 -5.921 -0.785 186 H ILE 22 HN ILE 22 3.417 -0.043 -1.425 187 HA ILE 22 HA ILE 22 4.583 -1.805 -3.231 188 HB ILE 22 HB ILE 22 4.069 1.177 -3.447 189 1HG1 ILE 22 2HG1 ILE 22 2.165 -0.230 -4.880 190 2HG1 ILE 22 1HG1 ILE 22 2.450 -1.280 -3.497 191 1HG2 ILE 22 1HG2 ILE 22 4.027 0.818 -5.875 192 2HG2 ILE 22 2HG2 ILE 22 4.412 -0.886 -5.644 193 3HG2 ILE 22 3HG2 ILE 22 5.605 0.350 -5.238 194 1HD1 ILE 22 1HD1 ILE 22 1.413 0.122 -2.084 195 2HD1 ILE 22 2HD1 ILE 22 0.779 0.913 -3.527 196 3HD1 ILE 22 3HD1 ILE 22 2.234 1.536 -2.749 197 H GLU 23 HN GLU 23 6.068 0.930 -1.594 198 HA GLU 23 HA GLU 23 8.526 0.979 -3.160 199 1HB GLU 23 2HB GLU 23 7.433 2.818 -1.735 200 2HB GLU 23 1HB GLU 23 8.092 1.974 -0.334 201 1HG GLU 23 2HG GLU 23 9.966 2.514 -2.584 202 2HG GLU 23 1HG GLU 23 9.463 3.898 -1.613 203 H LYS 24 HN LYS 24 7.743 -0.210 0.135 204 HA LYS 24 HA LYS 24 10.346 -1.469 0.492 205 1HB LYS 24 2HB LYS 24 8.540 -0.579 2.191 206 2HB LYS 24 1HB LYS 24 7.842 -2.189 2.003 207 1HG LYS 24 2HG LYS 24 10.780 -2.031 2.478 208 2HG LYS 24 1HG LYS 24 9.725 -1.663 3.842 209 1HD LYS 24 2HD LYS 24 8.478 -3.865 3.031 210 2HD LYS 24 1HD LYS 24 10.063 -4.232 2.349 211 1HE LYS 24 2HE LYS 24 10.029 -3.232 5.160 212 2HE LYS 24 1HE LYS 24 9.437 -4.882 4.885 213 1HZ LYS 24 1HZ LYS 24 11.877 -4.775 5.181 214 2HZ LYS 24 2HZ LYS 24 11.981 -3.807 3.788 215 3HZ LYS 24 3HZ LYS 24 11.422 -5.408 3.674 216 H PHE 25 HN PHE 25 7.043 -2.837 0.154 217 HA PHE 25 HA PHE 25 8.120 -5.457 -0.521 218 1HB PHE 25 2HB PHE 25 6.079 -5.022 0.881 219 2HB PHE 25 1HB PHE 25 5.276 -4.417 -0.571 220 HD1 PHE 25 1HD PHE 25 3.876 -5.944 -1.609 221 HD2 PHE 25 2HD PHE 25 7.441 -7.349 0.323 222 HE1 PHE 25 1HE PHE 25 3.321 -8.268 -2.282 223 HE2 PHE 25 2HE PHE 25 6.889 -9.674 -0.344 224 HZ PHE 25 HZ PHE 25 4.829 -10.134 -1.648 225 H LYS 26 HN LYS 26 9.171 -3.961 -2.440 226 HA LYS 26 HA LYS 26 7.666 -3.244 -4.721 227 1HB LYS 26 2HB LYS 26 10.477 -4.177 -4.211 228 2HB LYS 26 1HB LYS 26 9.948 -3.838 -5.859 229 1HG LYS 26 2HG LYS 26 9.287 -1.790 -3.806 230 2HG LYS 26 1HG LYS 26 10.985 -1.936 -4.256 231 1HD LYS 26 2HD LYS 26 9.019 -1.923 -6.489 232 2HD LYS 26 1HD LYS 26 9.247 -0.398 -5.632 233 1HE LYS 26 2HE LYS 26 11.801 -0.882 -5.925 234 2HE LYS 26 1HE LYS 26 11.267 -1.995 -7.200 235 1HZ LYS 26 1HZ LYS 26 11.631 0.368 -7.932 236 2HZ LYS 26 2HZ LYS 26 10.294 0.799 -6.982 237 3HZ LYS 26 3HZ LYS 26 10.098 -0.272 -8.288 238 H GLY 27 HN GLY 27 8.489 -6.396 -3.547 239 1HA GLY 27 2HA GLY 27 7.101 -8.283 -4.393 240 2HA GLY 27 1HA GLY 27 7.294 -7.600 -6.008 241 H ARG 28 HN ARG 28 9.847 -7.190 -6.428 242 HA ARG 28 HA ARG 28 11.066 -9.882 -6.252 243 1HB ARG 28 2HB ARG 28 10.875 -8.406 -8.332 244 2HB ARG 28 1HB ARG 28 12.101 -7.373 -7.595 245 1HG ARG 28 2HG ARG 28 13.774 -8.943 -7.839 246 2HG ARG 28 1HG ARG 28 12.658 -10.303 -7.717 247 1HD ARG 28 2HD ARG 28 12.915 -10.444 -9.985 248 2HD ARG 28 1HD ARG 28 11.810 -9.056 -10.041 249 HE ARG 28 HE ARG 28 13.930 -7.624 -9.838 250 1HH1 ARG 28 1HH1 ARG 28 15.665 -10.157 -9.624 251 2HH1 ARG 28 2HH1 ARG 28 16.323 -10.230 -11.225 252 1HH2 ARG 28 1HH2 ARG 28 14.029 -7.997 -12.555 253 2HH2 ARG 28 2HH2 ARG 28 15.397 -9.007 -12.884 Start of MODEL 20 1 1H GLU 1 1HT GLU 1 -11.941 11.879 3.719 2 2H GLU 1 2HT GLU 1 -12.296 10.584 4.761 3 3H GLU 1 3HT GLU 1 -13.545 11.586 4.189 4 HA GLU 1 HA GLU 1 -13.459 9.414 3.023 5 1HB GLU 1 2HB GLU 1 -14.119 11.844 2.187 6 2HB GLU 1 1HB GLU 1 -12.721 11.624 1.133 7 1HG GLU 1 2HG GLU 1 -13.677 9.797 0.026 8 2HG GLU 1 1HG GLU 1 -14.792 9.455 1.350 9 H GLN 2 HN GLN 2 -11.856 7.878 2.861 10 HA GLN 2 HA GLN 2 -9.212 8.701 1.709 11 1HB GLN 2 2HB GLN 2 -9.967 7.310 4.051 12 2HB GLN 2 1HB GLN 2 -9.307 6.080 2.973 13 1HG GLN 2 2HG GLN 2 -7.433 6.920 4.175 14 2HG GLN 2 1HG GLN 2 -7.345 7.692 2.592 15 1HE2 GLN 2 1HE2 GLN 2 -6.207 8.815 5.055 16 2HE2 GLN 2 2HE2 GLN 2 -7.018 10.277 5.351 17 H TYR 3 HN TYR 3 -8.161 6.929 0.373 18 HA TYR 3 HA TYR 3 -10.082 5.901 -1.586 19 1HB TYR 3 2HB TYR 3 -8.084 5.538 -2.906 20 2HB TYR 3 1HB TYR 3 -7.961 7.108 -2.115 21 HD1 TYR 3 1HD TYR 3 -6.221 7.574 -0.555 22 HD2 TYR 3 2HD TYR 3 -6.889 3.556 -1.906 23 HE1 TYR 3 1HE TYR 3 -4.110 6.857 0.515 24 HE2 TYR 3 2HE TYR 3 -4.803 2.843 -0.853 25 HH TYR 3 HH TYR 3 -2.480 5.090 0.375 26 H THR 4 HN THR 4 -9.117 3.598 -2.519 27 HA THR 4 HA THR 4 -9.278 1.720 -0.191 28 HB THR 4 HB THR 4 -9.937 0.191 -2.292 29 HG1 THR 4 1HG THR 4 -10.781 1.322 -3.921 30 1HG2 THR 4 1HG2 THR 4 -11.739 2.220 -0.948 31 2HG2 THR 4 2HG2 THR 4 -11.369 0.595 -0.367 32 3HG2 THR 4 3HG2 THR 4 -12.306 0.811 -1.846 33 H ALA 5 HN ALA 5 -8.157 1.262 -3.539 34 HA ALA 5 HA ALA 5 -6.213 0.296 -4.429 35 1HB ALA 5 1HB ALA 5 -5.546 2.356 -2.741 36 2HB ALA 5 2HB ALA 5 -4.431 1.520 -3.818 37 3HB ALA 5 3HB ALA 5 -4.554 1.023 -2.126 38 H LYS 6 HN LYS 6 -5.993 -1.876 -4.392 39 HA LYS 6 HA LYS 6 -5.543 -3.211 -1.746 40 1HB LYS 6 2HB LYS 6 -6.520 -5.221 -2.881 41 2HB LYS 6 1HB LYS 6 -7.649 -3.875 -2.725 42 1HG LYS 6 2HG LYS 6 -7.329 -3.241 -5.025 43 2HG LYS 6 1HG LYS 6 -5.995 -4.378 -5.211 44 1HD LYS 6 2HD LYS 6 -7.878 -6.108 -4.407 45 2HD LYS 6 1HD LYS 6 -8.930 -4.896 -5.140 46 1HE LYS 6 2HE LYS 6 -8.071 -5.246 -7.276 47 2HE LYS 6 1HE LYS 6 -6.503 -5.807 -6.662 48 1HZ LYS 6 1HZ LYS 6 -9.079 -7.250 -6.321 49 2HZ LYS 6 2HZ LYS 6 -7.551 -7.787 -5.808 50 3HZ LYS 6 3HZ LYS 6 -7.895 -7.651 -7.467 51 H TYR 7 HN TYR 7 -3.777 -4.480 -1.523 52 HA TYR 7 HA TYR 7 -2.083 -5.008 -3.940 53 1HB TYR 7 2HB TYR 7 -1.285 -3.976 -1.206 54 2HB TYR 7 1HB TYR 7 -0.143 -4.535 -2.411 55 HD1 TYR 7 1HD TYR 7 0.610 -3.131 -4.063 56 HD2 TYR 7 2HD TYR 7 -2.959 -2.175 -1.918 57 HE1 TYR 7 1HE TYR 7 0.560 -0.923 -5.162 58 HE2 TYR 7 2HE TYR 7 -3.046 0.046 -2.989 59 HH TYR 7 HH TYR 7 -0.398 1.251 -4.921 60 H LYS 8 HN LYS 8 -1.851 -7.192 -4.133 61 HA LYS 8 HA LYS 8 -1.700 -9.481 -3.582 62 1HB LYS 8 2HB LYS 8 -0.260 -7.942 -1.466 63 2HB LYS 8 1HB LYS 8 -0.535 -9.658 -1.169 64 1HG LYS 8 2HG LYS 8 0.556 -8.739 -3.818 65 2HG LYS 8 1HG LYS 8 1.632 -8.942 -2.435 66 1HD LYS 8 2HD LYS 8 -0.280 -11.157 -2.998 67 2HD LYS 8 1HD LYS 8 1.075 -10.965 -4.110 68 1HE LYS 8 2HE LYS 8 2.622 -11.600 -2.538 69 2HE LYS 8 1HE LYS 8 1.744 -10.807 -1.214 70 1HZ LYS 8 1HZ LYS 8 0.005 -12.532 -1.470 71 2HZ LYS 8 2HZ LYS 8 1.500 -13.162 -0.963 72 3HZ LYS 8 3HZ LYS 8 1.009 -13.343 -2.577 73 H GLY 9 HN GLY 9 -4.116 -7.794 -2.567 74 1HA GLY 9 2HA GLY 9 -6.153 -8.773 -1.710 75 2HA GLY 9 1HA GLY 9 -5.185 -9.952 -0.830 76 H ARG 10 HN ARG 10 -4.602 -6.457 -0.794 77 HA ARG 10 HA ARG 10 -5.756 -6.249 1.948 78 1HB ARG 10 2HB ARG 10 -2.876 -5.640 1.183 79 2HB ARG 10 1HB ARG 10 -3.589 -5.358 2.771 80 1HG ARG 10 2HG ARG 10 -4.117 -7.817 2.894 81 2HG ARG 10 1HG ARG 10 -3.203 -8.033 1.401 82 1HD ARG 10 2HD ARG 10 -1.619 -8.483 3.116 83 2HD ARG 10 1HD ARG 10 -1.280 -6.801 2.660 84 HE ARG 10 HE ARG 10 -3.080 -7.487 4.953 85 1HH1 ARG 10 1HH1 ARG 10 -0.038 -6.991 5.255 86 2HH1 ARG 10 2HH1 ARG 10 -0.046 -5.345 5.793 87 1HH2 ARG 10 1HH2 ARG 10 -3.339 -4.781 4.864 88 2HH2 ARG 10 2HH2 ARG 10 -1.915 -4.093 5.570 89 H THR 11 HN THR 11 -7.061 -4.419 1.757 90 HA THR 11 HA THR 11 -6.598 -2.421 -0.279 91 HB THR 11 HB THR 11 -8.364 -2.241 2.170 92 HG1 THR 11 1HG THR 11 -9.237 -3.940 1.285 93 1HG2 THR 11 1HG2 THR 11 -9.751 -0.874 0.532 94 2HG2 THR 11 2HG2 THR 11 -8.367 -0.917 -0.559 95 3HG2 THR 11 3HG2 THR 11 -8.225 -0.131 1.012 96 H PHE 12 HN PHE 12 -6.368 -0.045 0.299 97 HA PHE 12 HA PHE 12 -4.636 0.382 2.706 98 1HB PHE 12 2HB PHE 12 -4.243 1.051 -0.217 99 2HB PHE 12 1HB PHE 12 -3.439 2.016 1.044 100 HD1 PHE 12 1HD PHE 12 -1.526 1.137 2.217 101 HD2 PHE 12 2HD PHE 12 -3.982 -1.378 -0.228 102 HE1 PHE 12 1HE PHE 12 0.136 -0.703 2.453 103 HE2 PHE 12 2HE PHE 12 -2.363 -3.234 0.049 104 HZ PHE 12 HZ PHE 12 -0.293 -2.896 1.374 105 H ARG 13 HN ARG 13 -5.330 2.069 3.941 106 HA ARG 13 HA ARG 13 -7.170 4.089 2.697 107 1HB ARG 13 2HB ARG 13 -7.303 2.372 5.097 108 2HB ARG 13 1HB ARG 13 -7.730 4.057 5.396 109 1HG ARG 13 2HG ARG 13 -9.492 4.011 3.813 110 2HG ARG 13 1HG ARG 13 -8.893 2.530 3.065 111 1HD ARG 13 2HD ARG 13 -9.280 1.562 5.532 112 2HD ARG 13 1HD ARG 13 -10.481 2.869 5.575 113 HE ARG 13 HE ARG 13 -10.470 0.606 3.641 114 1HH1 ARG 13 1HH1 ARG 13 -11.423 2.980 2.208 115 2HH1 ARG 13 2HH1 ARG 13 -13.114 3.017 2.577 116 1HH2 ARG 13 1HH2 ARG 13 -12.842 0.868 5.285 117 2HH2 ARG 13 2HH2 ARG 13 -13.918 1.822 4.317 118 H ASN 14 HN ASN 14 -4.383 4.467 2.681 119 HA ASN 14 HA ASN 14 -4.096 7.002 4.029 120 1HB ASN 14 2HB ASN 14 -3.876 4.986 5.786 121 2HB ASN 14 1HB ASN 14 -2.223 4.966 5.169 122 1HD2 ASN 14 1HD2 ASN 14 -0.816 6.657 5.824 123 2HD2 ASN 14 2HD2 ASN 14 -1.293 7.934 6.835 124 H GLU 15 HN GLU 15 -2.537 8.116 2.913 125 HA GLU 15 HA GLU 15 -1.136 6.938 0.693 126 1HB GLU 15 2HB GLU 15 -1.246 9.540 2.153 127 2HB GLU 15 1HB GLU 15 0.125 9.279 1.075 128 1HG GLU 15 2HG GLU 15 -2.692 8.722 0.160 129 2HG GLU 15 1HG GLU 15 -2.016 10.349 0.074 130 H LYS 16 HN LYS 16 -0.150 7.737 4.013 131 HA LYS 16 HA LYS 16 2.635 7.367 3.784 132 1HB LYS 16 2HB LYS 16 1.005 8.140 5.720 133 2HB LYS 16 1HB LYS 16 1.136 6.447 6.200 134 1HG LYS 16 2HG LYS 16 3.416 6.606 6.644 135 2HG LYS 16 1HG LYS 16 3.635 7.981 5.561 136 1HD LYS 16 2HD LYS 16 2.145 9.295 7.189 137 2HD LYS 16 1HD LYS 16 2.395 7.960 8.315 138 1HE LYS 16 2HE LYS 16 4.234 9.194 8.939 139 2HE LYS 16 1HE LYS 16 4.970 8.439 7.510 140 1HZ LYS 16 1HZ LYS 16 3.400 10.961 7.449 141 2HZ LYS 16 2HZ LYS 16 4.245 10.260 6.156 142 3HZ LYS 16 3HZ LYS 16 5.097 10.898 7.480 143 H GLU 17 HN GLU 17 0.102 5.033 4.476 144 HA GLU 17 HA GLU 17 1.762 2.728 4.884 145 1HB GLU 17 2HB GLU 17 -1.095 3.292 4.145 146 2HB GLU 17 1HB GLU 17 -0.508 1.631 4.074 147 1HG GLU 17 2HG GLU 17 -0.226 3.420 6.502 148 2HG GLU 17 1HG GLU 17 -1.526 2.247 6.285 149 H LEU 18 HN LEU 18 -0.175 3.620 2.018 150 HA LEU 18 HA LEU 18 0.818 1.666 0.231 151 1HB LEU 18 2HB LEU 18 -1.082 3.548 0.173 152 2HB LEU 18 1HB LEU 18 0.157 4.437 -0.708 153 HG LEU 18 HG LEU 18 0.342 2.592 -2.324 154 1HD1 LEU 18 1HD1 LEU 18 -0.895 1.078 -0.313 155 2HD1 LEU 18 2HD1 LEU 18 -0.510 0.518 -1.924 156 3HD1 LEU 18 3HD1 LEU 18 -2.103 1.187 -1.576 157 1HD2 LEU 18 1HD2 LEU 18 -2.588 3.223 -2.040 158 2HD2 LEU 18 2HD2 LEU 18 -1.626 3.097 -3.512 159 3HD2 LEU 18 3HD2 LEU 18 -1.424 4.485 -2.443 160 H ARG 19 HN ARG 19 2.071 4.922 0.938 161 HA ARG 19 HA ARG 19 4.145 4.943 -1.044 162 1HB ARG 19 2HB ARG 19 3.773 6.275 1.652 163 2HB ARG 19 1HB ARG 19 5.114 6.665 0.577 164 1HG ARG 19 2HG ARG 19 2.482 6.673 -0.752 165 2HG ARG 19 1HG ARG 19 2.647 7.888 0.515 166 1HD ARG 19 2HD ARG 19 4.657 8.789 -0.537 167 2HD ARG 19 1HD ARG 19 4.630 7.502 -1.758 168 HE ARG 19 HE ARG 19 2.320 9.377 -1.459 169 1HH1 ARG 19 1HH2 ARG 19 3.585 6.985 -3.388 170 2HH1 ARG 19 2HH2 ARG 19 3.506 7.872 -4.873 171 1HH2 ARG 19 1HH1 ARG 19 2.706 10.879 -3.343 172 2HH2 ARG 19 2HH1 ARG 19 3.007 10.076 -4.847 173 H ASP 20 HN ASP 20 3.855 3.282 2.012 174 HA ASP 20 HA ASP 20 6.775 2.704 2.095 175 1HB ASP 20 2HB ASP 20 4.480 2.802 3.965 176 2HB ASP 20 1HB ASP 20 5.641 1.511 4.278 177 H PHE 21 HN PHE 21 3.631 1.159 1.574 178 HA PHE 21 HA PHE 21 4.512 -1.577 1.785 179 1HB PHE 21 2HB PHE 21 2.170 -0.831 1.871 180 2HB PHE 21 1HB PHE 21 2.230 -0.372 0.181 181 HD1 PHE 21 1HD PHE 21 2.190 -2.038 -1.583 182 HD2 PHE 21 2HD PHE 21 2.544 -3.165 2.538 183 HE1 PHE 21 1HE PHE 21 1.802 -4.411 -2.200 184 HE2 PHE 21 2HE PHE 21 2.154 -5.547 1.930 185 HZ PHE 21 HZ PHE 21 1.783 -6.166 -0.445 186 H ILE 22 HN ILE 22 3.446 -0.058 -1.262 187 HA ILE 22 HA ILE 22 4.657 -1.809 -3.066 188 HB ILE 22 HB ILE 22 4.169 1.180 -3.266 189 1HG1 ILE 22 2HG1 ILE 22 2.269 -0.200 -4.733 190 2HG1 ILE 22 1HG1 ILE 22 2.504 -1.245 -3.337 191 1HG2 ILE 22 1HG2 ILE 22 4.163 0.813 -5.697 192 2HG2 ILE 22 2HG2 ILE 22 4.528 -0.895 -5.449 193 3HG2 ILE 22 3HG2 ILE 22 5.723 0.331 -5.026 194 1HD1 ILE 22 1HD1 ILE 22 1.480 0.198 -1.948 195 2HD1 ILE 22 2HD1 ILE 22 0.869 0.965 -3.411 196 3HD1 ILE 22 3HD1 ILE 22 2.321 1.590 -2.632 197 H GLU 23 HN GLU 23 6.076 0.919 -1.348 198 HA GLU 23 HA GLU 23 8.564 1.084 -2.796 199 1HB GLU 23 2HB GLU 23 7.595 2.789 -1.229 200 2HB GLU 23 1HB GLU 23 7.945 1.701 0.114 201 1HG GLU 23 2HG GLU 23 9.873 2.972 0.153 202 2HG GLU 23 1HG GLU 23 10.377 1.720 -0.984 203 H LYS 24 HN LYS 24 7.529 -0.757 0.063 204 HA LYS 24 HA LYS 24 10.153 -2.044 0.383 205 1HB LYS 24 2HB LYS 24 7.420 -2.221 1.664 206 2HB LYS 24 1HB LYS 24 8.697 -3.359 2.089 207 1HG LYS 24 2HG LYS 24 9.965 -0.869 2.189 208 2HG LYS 24 1HG LYS 24 8.370 -0.560 2.875 209 1HD LYS 24 2HD LYS 24 9.350 -1.318 4.795 210 2HD LYS 24 1HD LYS 24 8.964 -2.899 4.113 211 1HE LYS 24 2HE LYS 24 11.305 -2.595 2.895 212 2HE LYS 24 1HE LYS 24 11.615 -1.503 4.260 213 1HZ LYS 24 1HZ LYS 24 10.769 -3.285 5.739 214 2HZ LYS 24 2HZ LYS 24 12.204 -3.707 4.932 215 3HZ LYS 24 3HZ LYS 24 10.713 -4.329 4.405 216 H PHE 25 HN PHE 25 6.854 -3.044 -0.605 217 HA PHE 25 HA PHE 25 7.810 -5.663 -1.476 218 1HB PHE 25 2HB PHE 25 5.615 -5.217 -0.330 219 2HB PHE 25 1HB PHE 25 5.101 -4.341 -1.772 220 HD1 PHE 25 1HD PHE 25 3.625 -5.587 -3.051 221 HD2 PHE 25 2HD PHE 25 6.953 -7.560 -1.189 222 HE1 PHE 25 1HE PHE 25 2.960 -7.722 -4.127 223 HE2 PHE 25 2HE PHE 25 6.290 -9.697 -2.263 224 HZ PHE 25 HZ PHE 25 4.293 -9.776 -3.732 225 H LYS 26 HN LYS 26 9.235 -3.916 -2.952 226 HA LYS 26 HA LYS 26 8.160 -2.791 -5.300 227 1HB LYS 26 2HB LYS 26 10.764 -3.806 -4.328 228 2HB LYS 26 1HB LYS 26 10.625 -3.656 -6.081 229 1HG LYS 26 2HG LYS 26 9.600 -1.369 -4.479 230 2HG LYS 26 1HG LYS 26 11.349 -1.592 -4.493 231 1HD LYS 26 2HD LYS 26 11.409 -1.509 -6.910 232 2HD LYS 26 1HD LYS 26 9.647 -1.509 -6.998 233 1HE LYS 26 2HE LYS 26 9.605 0.675 -5.793 234 2HE LYS 26 1HE LYS 26 11.380 0.686 -5.808 235 1HZ LYS 26 1HZ LYS 26 11.354 0.511 -8.200 236 2HZ LYS 26 2HZ LYS 26 10.439 1.863 -7.731 237 3HZ LYS 26 3HZ LYS 26 9.660 0.435 -8.218 238 H GLY 27 HN GLY 27 8.632 -6.137 -4.524 239 1HA GLY 27 2HA GLY 27 8.861 -7.334 -7.062 240 2HA GLY 27 1HA GLY 27 8.058 -8.093 -5.689 241 H ARG 28 HN ARG 28 6.100 -5.780 -5.589 242 HA ARG 28 HA ARG 28 3.967 -6.929 -7.089 243 1HB ARG 28 2HB ARG 28 4.002 -5.281 -5.095 244 2HB ARG 28 1HB ARG 28 4.191 -4.016 -6.311 245 1HG ARG 28 2HG ARG 28 2.037 -6.010 -6.793 246 2HG ARG 28 1HG ARG 28 1.774 -4.868 -5.476 247 1HD ARG 28 2HD ARG 28 2.035 -2.976 -6.955 248 2HD ARG 28 1HD ARG 28 2.583 -4.024 -8.279 249 HE ARG 28 HE ARG 28 -0.048 -4.719 -7.163 250 1HH1 ARG 28 1HH1 ARG 28 1.637 -4.534 -9.973 251 2HH1 ARG 28 2HH1 ARG 28 0.408 -3.751 -10.907 252 1HH2 ARG 28 1HH2 ARG 28 -1.590 -3.036 -8.164 253 2HH2 ARG 28 2HH2 ARG 28 -1.421 -2.903 -9.883 Start of MODEL 21 1 1H GLU 1 1HT GLU 1 -14.275 9.633 3.472 2 2H GLU 1 2HT GLU 1 -12.956 9.698 4.541 3 3H GLU 1 3HT GLU 1 -14.419 8.990 5.035 4 HA GLU 1 HA GLU 1 -12.927 7.211 4.549 5 1HB GLU 1 2HB GLU 1 -15.413 7.764 3.308 6 2HB GLU 1 1HB GLU 1 -14.409 7.041 2.052 7 1HG GLU 1 2HG GLU 1 -15.166 5.095 2.997 8 2HG GLU 1 1HG GLU 1 -13.814 5.380 4.095 9 H GLN 2 HN GLN 2 -11.007 6.700 3.564 10 HA GLN 2 HA GLN 2 -10.000 8.446 1.389 11 1HB GLN 2 2HB GLN 2 -8.912 7.395 3.656 12 2HB GLN 2 1HB GLN 2 -8.395 6.196 2.471 13 1HG GLN 2 2HG GLN 2 -6.666 7.823 2.467 14 2HG GLN 2 1HG GLN 2 -7.633 8.194 1.037 15 1HE2 GLN 2 1HE2 GLN 2 -6.458 9.473 4.025 16 2HE2 GLN 2 2HE2 GLN 2 -7.329 10.929 3.996 17 H TYR 3 HN TYR 3 -8.687 7.210 -0.368 18 HA TYR 3 HA TYR 3 -10.349 5.654 -1.981 19 1HB TYR 3 2HB TYR 3 -8.163 5.015 -3.107 20 2HB TYR 3 1HB TYR 3 -8.455 6.738 -2.890 21 HD1 TYR 3 1HD TYR 3 -6.768 8.027 -2.049 22 HD2 TYR 3 2HD TYR 3 -6.901 3.861 -0.997 23 HE1 TYR 3 1HE TYR 3 -4.661 8.279 -0.787 24 HE2 TYR 3 2HE TYR 3 -4.792 4.126 0.259 25 HH TYR 3 HH TYR 3 -2.712 5.920 0.019 26 H THR 4 HN THR 4 -10.358 3.401 -2.536 27 HA THR 4 HA THR 4 -9.632 1.621 -0.242 28 HB THR 4 HB THR 4 -11.586 1.184 -2.522 29 HG1 THR 4 1HG THR 4 -12.678 2.655 -1.506 30 1HG2 THR 4 1HG2 THR 4 -11.035 -0.192 0.107 31 2HG2 THR 4 2HG2 THR 4 -11.054 -0.897 -1.510 32 3HG2 THR 4 3HG2 THR 4 -12.563 -0.394 -0.749 33 H ALA 5 HN ALA 5 -7.436 2.083 -1.674 34 HA ALA 5 HA ALA 5 -6.948 0.673 -4.080 35 1HB ALA 5 1HB ALA 5 -5.537 2.207 -2.217 36 2HB ALA 5 2HB ALA 5 -4.870 1.513 -3.694 37 3HB ALA 5 3HB ALA 5 -4.729 0.634 -2.163 38 H LYS 6 HN LYS 6 -4.871 -1.060 -3.535 39 HA LYS 6 HA LYS 6 -5.198 -2.997 -1.539 40 1HB LYS 6 2HB LYS 6 -7.233 -3.103 -3.535 41 2HB LYS 6 1HB LYS 6 -6.221 -4.537 -3.700 42 1HG LYS 6 2HG LYS 6 -6.473 -4.714 -1.117 43 2HG LYS 6 1HG LYS 6 -7.854 -3.640 -1.346 44 1HD LYS 6 2HD LYS 6 -7.533 -6.140 -3.000 45 2HD LYS 6 1HD LYS 6 -8.303 -6.188 -1.413 46 1HE LYS 6 2HE LYS 6 -10.101 -4.835 -2.102 47 2HE LYS 6 1HE LYS 6 -9.196 -4.172 -3.477 48 1HZ LYS 6 1HZ LYS 6 -10.701 -5.850 -4.276 49 2HZ LYS 6 2HZ LYS 6 -10.113 -6.980 -3.152 50 3HZ LYS 6 3HZ LYS 6 -9.113 -6.436 -4.409 51 H TYR 7 HN TYR 7 -3.644 -4.501 -1.655 52 HA TYR 7 HA TYR 7 -2.036 -4.781 -4.153 53 1HB TYR 7 2HB TYR 7 -1.163 -3.803 -1.425 54 2HB TYR 7 1HB TYR 7 -0.020 -4.485 -2.567 55 HD1 TYR 7 1HD TYR 7 0.811 -3.211 -4.344 56 HD2 TYR 7 2HD TYR 7 -2.589 -1.865 -2.132 57 HE1 TYR 7 1HE TYR 7 0.942 -1.026 -5.485 58 HE2 TYR 7 2HE TYR 7 -2.513 0.308 -3.267 59 HH TYR 7 HH TYR 7 -1.415 1.041 -5.766 60 H LYS 8 HN LYS 8 -1.996 -6.982 -4.465 61 HA LYS 8 HA LYS 8 -1.684 -9.282 -4.037 62 1HB LYS 8 2HB LYS 8 0.132 -8.128 -2.493 63 2HB LYS 8 1HB LYS 8 -0.936 -8.659 -1.194 64 1HG LYS 8 2HG LYS 8 0.534 -10.480 -1.458 65 2HG LYS 8 1HG LYS 8 -0.883 -10.965 -2.388 66 1HD LYS 8 2HD LYS 8 0.165 -10.268 -4.462 67 2HD LYS 8 1HD LYS 8 1.538 -9.590 -3.586 68 1HE LYS 8 2HE LYS 8 2.080 -11.870 -2.718 69 2HE LYS 8 1HE LYS 8 0.758 -12.525 -3.705 70 1HZ LYS 8 1HZ LYS 8 1.795 -11.438 -5.650 71 2HZ LYS 8 2HZ LYS 8 2.779 -12.643 -4.967 72 3HZ LYS 8 3HZ LYS 8 3.117 -11.002 -4.680 73 H GLY 9 HN GLY 9 -2.866 -7.894 -0.921 74 1HA GLY 9 2HA GLY 9 -5.526 -8.965 -1.273 75 2HA GLY 9 1HA GLY 9 -4.575 -9.998 -0.209 76 H ARG 10 HN ARG 10 -4.201 -6.484 -0.373 77 HA ARG 10 HA ARG 10 -5.677 -6.160 2.199 78 1HB ARG 10 2HB ARG 10 -2.766 -5.442 1.712 79 2HB ARG 10 1HB ARG 10 -3.670 -5.078 3.182 80 1HG ARG 10 2HG ARG 10 -4.097 -7.549 3.437 81 2HG ARG 10 1HG ARG 10 -2.992 -7.820 2.089 82 1HD ARG 10 2HD ARG 10 -1.139 -7.348 3.353 83 2HD ARG 10 1HD ARG 10 -1.963 -6.062 4.252 84 HE ARG 10 HE ARG 10 -3.277 -8.250 5.152 85 1HH1 ARG 10 1HH2 ARG 10 -0.827 -9.825 4.257 86 2HH1 ARG 10 2HH2 ARG 10 0.096 -9.868 5.723 87 1HH2 ARG 10 1HH1 ARG 10 -1.712 -7.329 7.246 88 2HH2 ARG 10 2HH1 ARG 10 -0.406 -8.454 7.416 89 H THR 11 HN THR 11 -7.005 -4.400 1.823 90 HA THR 11 HA THR 11 -6.575 -2.504 -0.321 91 HB THR 11 HB THR 11 -8.319 -2.312 2.161 92 HG1 THR 11 1HG THR 11 -9.673 -3.610 1.177 93 1HG2 THR 11 1HG2 THR 11 -9.349 -0.528 1.192 94 2HG2 THR 11 2HG2 THR 11 -9.225 -1.213 -0.428 95 3HG2 THR 11 3HG2 THR 11 -7.846 -0.372 0.282 96 H PHE 12 HN PHE 12 -5.854 -0.292 -0.143 97 HA PHE 12 HA PHE 12 -4.464 0.373 2.432 98 1HB PHE 12 2HB PHE 12 -3.797 0.882 -0.479 99 2HB PHE 12 1HB PHE 12 -3.056 1.835 0.819 100 HD1 PHE 12 1HD PHE 12 -1.236 0.939 2.068 101 HD2 PHE 12 2HD PHE 12 -3.723 -1.605 -0.318 102 HE1 PHE 12 1HE PHE 12 0.328 -0.948 2.479 103 HE2 PHE 12 2HE PHE 12 -2.189 -3.519 0.138 104 HZ PHE 12 HZ PHE 12 -0.164 -3.185 1.525 105 H ARG 13 HN ARG 13 -5.245 2.134 3.476 106 HA ARG 13 HA ARG 13 -6.873 4.125 1.930 107 1HB ARG 13 2HB ARG 13 -8.290 4.248 3.979 108 2HB ARG 13 1HB ARG 13 -8.262 2.621 3.302 109 1HG ARG 13 2HG ARG 13 -6.633 1.898 4.950 110 2HG ARG 13 1HG ARG 13 -6.457 3.545 5.556 111 1HD ARG 13 2HD ARG 13 -7.998 2.772 7.105 112 2HD ARG 13 1HD ARG 13 -9.137 3.262 5.835 113 HE ARG 13 HE ARG 13 -8.191 0.471 6.298 114 1HH1 ARG 13 1HH1 ARG 13 -10.950 2.217 6.055 115 2HH1 ARG 13 2HH1 ARG 13 -11.676 1.300 4.777 116 1HH2 ARG 13 1HH2 ARG 13 -8.790 -0.486 4.063 117 2HH2 ARG 13 2HH2 ARG 13 -10.452 -0.231 3.649 118 H ASN 14 HN ASN 14 -4.031 4.259 2.542 119 HA ASN 14 HA ASN 14 -3.963 6.873 3.869 120 1HB ASN 14 2HB ASN 14 -4.041 5.388 5.791 121 2HB ASN 14 1HB ASN 14 -2.758 4.379 5.121 122 1HD2 ASN 14 1HD2 ASN 14 -3.305 7.840 5.929 123 2HD2 ASN 14 2HD2 ASN 14 -1.760 8.092 6.589 124 H GLU 15 HN GLU 15 -2.407 8.017 2.836 125 HA GLU 15 HA GLU 15 -0.762 6.990 0.759 126 1HB GLU 15 2HB GLU 15 -1.538 9.418 1.678 127 2HB GLU 15 1HB GLU 15 0.128 9.398 2.259 128 1HG GLU 15 2HG GLU 15 1.000 9.111 0.060 129 2HG GLU 15 1HG GLU 15 -0.585 8.690 -0.592 130 H LYS 16 HN LYS 16 -0.054 7.517 4.207 131 HA LYS 16 HA LYS 16 2.738 7.126 4.165 132 1HB LYS 16 2HB LYS 16 0.824 7.664 6.021 133 2HB LYS 16 1HB LYS 16 1.222 5.998 6.438 134 1HG LYS 16 2HG LYS 16 3.598 6.582 6.613 135 2HG LYS 16 1HG LYS 16 3.241 8.242 6.138 136 1HD LYS 16 2HD LYS 16 1.745 7.103 8.462 137 2HD LYS 16 1HD LYS 16 3.433 7.553 8.707 138 1HE LYS 16 2HE LYS 16 1.657 9.510 7.288 139 2HE LYS 16 1HE LYS 16 1.508 9.357 9.051 140 1HZ LYS 16 1HZ LYS 16 4.077 9.706 7.598 141 2HZ LYS 16 2HZ LYS 16 3.867 9.658 9.283 142 3HZ LYS 16 3HZ LYS 16 3.245 10.957 8.383 143 H GLU 17 HN GLU 17 0.146 4.782 4.563 144 HA GLU 17 HA GLU 17 1.783 2.441 4.867 145 1HB GLU 17 2HB GLU 17 -1.033 2.874 3.819 146 2HB GLU 17 1HB GLU 17 -0.368 1.294 4.229 147 1HG GLU 17 2HG GLU 17 -0.578 3.627 6.152 148 2HG GLU 17 1HG GLU 17 -1.707 2.273 6.084 149 H LEU 18 HN LEU 18 -0.058 3.558 2.012 150 HA LEU 18 HA LEU 18 0.933 1.700 0.132 151 1HB LEU 18 2HB LEU 18 -0.856 3.742 0.176 152 2HB LEU 18 1HB LEU 18 0.439 4.509 -0.738 153 HG LEU 18 HG LEU 18 0.406 2.698 -2.375 154 1HD1 LEU 18 1HD1 LEU 18 -0.962 1.300 -0.278 155 2HD1 LEU 18 2HD1 LEU 18 -0.371 0.640 -1.794 156 3HD1 LEU 18 3HD1 LEU 18 -2.001 1.311 -1.690 157 1HD2 LEU 18 1HD2 LEU 18 -2.498 3.323 -2.030 158 2HD2 LEU 18 2HD2 LEU 18 -1.499 3.411 -3.481 159 3HD2 LEU 18 3HD2 LEU 18 -1.373 4.664 -2.246 160 H ARG 19 HN ARG 19 2.211 4.959 0.891 161 HA ARG 19 HA ARG 19 4.390 4.917 -0.956 162 1HB ARG 19 2HB ARG 19 3.838 6.284 1.679 163 2HB ARG 19 1HB ARG 19 5.323 6.587 0.778 164 1HG ARG 19 2HG ARG 19 2.744 6.729 -0.715 165 2HG ARG 19 1HG ARG 19 3.137 8.062 0.372 166 1HD ARG 19 2HD ARG 19 5.228 7.070 -1.555 167 2HD ARG 19 1HD ARG 19 3.967 8.184 -2.116 168 HE ARG 19 HE ARG 19 4.679 9.564 -0.015 169 1HH1 ARG 19 1HH1 ARG 19 6.998 7.602 0.442 170 2HH1 ARG 19 2HH1 ARG 19 8.310 8.487 -0.261 171 1HH2 ARG 19 1HH2 ARG 19 6.258 10.711 -1.950 172 2HH2 ARG 19 2HH2 ARG 19 7.893 10.246 -1.613 173 H ASP 20 HN ASP 20 3.921 3.247 2.068 174 HA ASP 20 HA ASP 20 6.825 2.632 2.317 175 1HB ASP 20 2HB ASP 20 4.999 3.349 4.148 176 2HB ASP 20 1HB ASP 20 4.739 1.605 4.191 177 H PHE 21 HN PHE 21 3.698 1.108 1.609 178 HA PHE 21 HA PHE 21 4.596 -1.634 1.791 179 1HB PHE 21 2HB PHE 21 2.243 -0.923 1.860 180 2HB PHE 21 1HB PHE 21 2.326 -0.393 0.192 181 HD1 PHE 21 1HD PHE 21 2.250 -1.981 -1.636 182 HD2 PHE 21 2HD PHE 21 2.684 -3.287 2.428 183 HE1 PHE 21 1HE PHE 21 1.913 -4.332 -2.354 184 HE2 PHE 21 2HE PHE 21 2.319 -5.644 1.718 185 HZ PHE 21 HZ PHE 21 1.939 -6.163 -0.679 186 H ILE 22 HN ILE 22 3.567 -0.039 -1.221 187 HA ILE 22 HA ILE 22 4.825 -1.725 -3.062 188 HB ILE 22 HB ILE 22 4.325 1.273 -3.194 189 1HG1 ILE 22 2HG1 ILE 22 2.402 -0.049 -4.678 190 2HG1 ILE 22 1HG1 ILE 22 2.632 -1.133 -3.315 191 1HG2 ILE 22 1HG2 ILE 22 4.387 1.024 -5.598 192 2HG2 ILE 22 2HG2 ILE 22 4.557 -0.725 -5.457 193 3HG2 ILE 22 3HG2 ILE 22 5.880 0.332 -4.964 194 1HD1 ILE 22 1HD1 ILE 22 1.652 0.296 -1.867 195 2HD1 ILE 22 2HD1 ILE 22 1.008 1.073 -3.311 196 3HD1 ILE 22 3HD1 ILE 22 2.472 1.698 -2.557 197 H GLU 23 HN GLU 23 6.178 0.967 -1.236 198 HA GLU 23 HA GLU 23 8.700 1.153 -2.654 199 1HB GLU 23 2HB GLU 23 7.686 2.913 -1.202 200 2HB GLU 23 1HB GLU 23 7.948 1.876 0.201 201 1HG GLU 23 2HG GLU 23 10.337 1.965 -0.080 202 2HG GLU 23 1HG GLU 23 10.178 2.767 -1.643 203 H LYS 24 HN LYS 24 7.482 -0.826 -0.010 204 HA LYS 24 HA LYS 24 10.159 -1.961 0.566 205 1HB LYS 24 2HB LYS 24 7.374 -2.112 1.711 206 2HB LYS 24 1HB LYS 24 8.594 -3.289 2.199 207 1HG LYS 24 2HG LYS 24 9.636 -0.554 2.246 208 2HG LYS 24 1HG LYS 24 8.230 -0.742 3.292 209 1HD LYS 24 2HD LYS 24 10.457 -2.769 3.355 210 2HD LYS 24 1HD LYS 24 10.580 -1.272 4.279 211 1HE LYS 24 2HE LYS 24 8.249 -1.854 5.221 212 2HE LYS 24 1HE LYS 24 8.535 -3.481 4.572 213 1HZ LYS 24 1HZ LYS 24 9.366 -3.201 6.872 214 2HZ LYS 24 2HZ LYS 24 10.442 -2.012 6.312 215 3HZ LYS 24 3HZ LYS 24 10.588 -3.615 5.771 216 H PHE 25 HN PHE 25 6.940 -3.082 -0.527 217 HA PHE 25 HA PHE 25 8.216 -5.530 -1.598 218 1HB PHE 25 2HB PHE 25 6.491 -5.806 0.149 219 2HB PHE 25 1HB PHE 25 5.346 -4.913 -0.853 220 HD1 PHE 25 1HD PHE 25 3.941 -6.104 -2.272 221 HD2 PHE 25 2HD PHE 25 7.677 -7.841 -1.073 222 HE1 PHE 25 1HE PHE 25 3.351 -8.196 -3.470 223 HE2 PHE 25 2HE PHE 25 7.093 -9.934 -2.270 224 HZ PHE 25 HZ PHE 25 4.928 -10.112 -3.471 225 H LYS 26 HN LYS 26 8.793 -3.816 -3.403 226 HA LYS 26 HA LYS 26 6.834 -2.747 -5.158 227 1HB LYS 26 2HB LYS 26 9.714 -3.444 -5.206 228 2HB LYS 26 1HB LYS 26 8.950 -3.259 -6.786 229 1HG LYS 26 2HG LYS 26 7.936 -1.085 -5.510 230 2HG LYS 26 1HG LYS 26 9.497 -1.221 -4.700 231 1HD LYS 26 2HD LYS 26 10.688 -1.084 -6.774 232 2HD LYS 26 1HD LYS 26 9.206 -1.285 -7.710 233 1HE LYS 26 2HE LYS 26 9.040 0.978 -7.777 234 2HE LYS 26 1HE LYS 26 8.747 0.951 -6.027 235 1HZ LYS 26 1HZ LYS 26 11.426 0.914 -7.316 236 2HZ LYS 26 2HZ LYS 26 11.121 0.924 -5.645 237 3HZ LYS 26 3HZ LYS 26 10.714 2.274 -6.594 238 H GLY 27 HN GLY 27 7.928 -6.004 -4.754 239 1HA GLY 27 2HA GLY 27 7.254 -8.009 -5.771 240 2HA GLY 27 1HA GLY 27 5.861 -7.117 -6.384 241 H ARG 28 HN ARG 28 9.232 -7.948 -7.043 242 HA ARG 28 HA ARG 28 9.262 -6.706 -9.688 243 1HB ARG 28 2HB ARG 28 11.460 -7.856 -9.814 244 2HB ARG 28 1HB ARG 28 11.272 -6.987 -8.292 245 1HG ARG 28 2HG ARG 28 11.537 -8.889 -7.115 246 2HG ARG 28 1HG ARG 28 10.218 -9.660 -7.995 247 1HD ARG 28 2HD ARG 28 11.654 -10.842 -9.308 248 2HD ARG 28 1HD ARG 28 12.694 -9.429 -9.580 249 HE ARG 28 HE ARG 28 12.788 -10.621 -6.875 250 1HH1 ARG 28 1HH1 ARG 28 13.894 -11.861 -9.691 251 2HH1 ARG 28 2HH1 ARG 28 15.584 -11.667 -9.368 252 1HH2 ARG 28 1HH2 ARG 28 15.093 -9.669 -6.579 253 2HH2 ARG 28 2HH2 ARG 28 16.262 -10.426 -7.606 Start of MODEL 22 1 1H GLU 1 1HT GLU 1 -10.692 8.497 6.094 2 2H GLU 1 2HT GLU 1 -9.752 7.133 5.716 3 3H GLU 1 3HT GLU 1 -11.075 6.992 6.774 4 HA GLU 1 HA GLU 1 -11.801 6.117 4.703 5 1HB GLU 1 2HB GLU 1 -12.707 8.715 5.783 6 2HB GLU 1 1HB GLU 1 -13.286 8.365 4.154 7 1HG GLU 1 2HG GLU 1 -13.808 5.988 5.200 8 2HG GLU 1 1HG GLU 1 -13.819 6.897 6.712 9 H GLN 2 HN GLN 2 -10.164 5.914 3.088 10 HA GLN 2 HA GLN 2 -10.049 8.180 1.139 11 1HB GLN 2 2HB GLN 2 -7.956 7.125 2.855 12 2HB GLN 2 1HB GLN 2 -7.523 6.902 1.161 13 1HG GLN 2 2HG GLN 2 -8.494 9.533 2.306 14 2HG GLN 2 1HG GLN 2 -6.790 9.113 2.127 15 1HE2 GLN 2 1HE2 GLN 2 -6.461 10.803 0.496 16 2HE2 GLN 2 2HE2 GLN 2 -7.082 10.639 -1.075 17 H TYR 3 HN TYR 3 -8.380 6.988 -0.704 18 HA TYR 3 HA TYR 3 -9.978 5.372 -2.286 19 1HB TYR 3 2HB TYR 3 -7.752 4.648 -3.300 20 2HB TYR 3 1HB TYR 3 -8.027 6.383 -3.166 21 HD1 TYR 3 1HD TYR 3 -6.324 7.669 -2.330 22 HD2 TYR 3 2HD TYR 3 -6.633 3.580 -1.057 23 HE1 TYR 3 1HE TYR 3 -4.283 7.936 -0.965 24 HE2 TYR 3 2HE TYR 3 -4.603 3.851 0.300 25 HH TYR 3 HH TYR 3 -3.140 6.953 0.860 26 H THR 4 HN THR 4 -9.857 3.065 -2.838 27 HA THR 4 HA THR 4 -9.381 1.366 -0.419 28 HB THR 4 HB THR 4 -10.995 0.678 -2.880 29 HG1 THR 4 1HG THR 4 -11.916 2.018 -0.559 30 1HG2 THR 4 1HG2 THR 4 -11.218 -0.122 0.035 31 2HG2 THR 4 2HG2 THR 4 -10.500 -1.107 -1.239 32 3HG2 THR 4 3HG2 THR 4 -12.222 -0.726 -1.284 33 H ALA 5 HN ALA 5 -7.238 2.156 -2.288 34 HA ALA 5 HA ALA 5 -6.542 0.342 -4.293 35 1HB ALA 5 1HB ALA 5 -5.386 2.448 -3.091 36 2HB ALA 5 2HB ALA 5 -4.471 1.318 -4.092 37 3HB ALA 5 3HB ALA 5 -4.450 1.151 -2.332 38 H LYS 6 HN LYS 6 -6.218 -1.847 -4.251 39 HA LYS 6 HA LYS 6 -5.509 -3.118 -1.633 40 1HB LYS 6 2HB LYS 6 -6.577 -5.148 -2.646 41 2HB LYS 6 1HB LYS 6 -7.685 -3.794 -2.440 42 1HG LYS 6 2HG LYS 6 -7.887 -3.435 -4.700 43 2HG LYS 6 1HG LYS 6 -6.238 -3.957 -5.038 44 1HD LYS 6 2HD LYS 6 -7.205 -6.306 -4.220 45 2HD LYS 6 1HD LYS 6 -8.723 -5.590 -4.762 46 1HE LYS 6 2HE LYS 6 -8.069 -5.547 -6.983 47 2HE LYS 6 1HE LYS 6 -6.350 -5.368 -6.579 48 1HZ LYS 6 1HZ LYS 6 -8.024 -7.802 -6.268 49 2HZ LYS 6 2HZ LYS 6 -6.469 -7.643 -5.607 50 3HZ LYS 6 3HZ LYS 6 -6.682 -7.603 -7.292 51 H TYR 7 HN TYR 7 -3.765 -4.480 -1.538 52 HA TYR 7 HA TYR 7 -2.218 -4.960 -4.064 53 1HB TYR 7 2HB TYR 7 -1.293 -3.976 -1.361 54 2HB TYR 7 1HB TYR 7 -0.196 -4.565 -2.595 55 HD1 TYR 7 1HD TYR 7 0.540 -3.190 -4.282 56 HD2 TYR 7 2HD TYR 7 -2.934 -2.116 -2.033 57 HE1 TYR 7 1HE TYR 7 0.527 -0.984 -5.392 58 HE2 TYR 7 2HE TYR 7 -2.987 0.099 -3.124 59 HH TYR 7 HH TYR 7 -1.152 0.799 -5.914 60 H LYS 8 HN LYS 8 -2.127 -7.161 -4.310 61 HA LYS 8 HA LYS 8 -2.025 -9.469 -3.782 62 1HB LYS 8 2HB LYS 8 -0.149 -7.947 -2.069 63 2HB LYS 8 1HB LYS 8 -0.489 -9.590 -1.524 64 1HG LYS 8 2HG LYS 8 0.102 -9.156 -4.426 65 2HG LYS 8 1HG LYS 8 1.445 -9.116 -3.282 66 1HD LYS 8 2HD LYS 8 0.870 -11.333 -2.455 67 2HD LYS 8 1HD LYS 8 -0.571 -11.372 -3.471 68 1HE LYS 8 2HE LYS 8 1.184 -12.645 -4.591 69 2HE LYS 8 1HE LYS 8 0.956 -11.129 -5.486 70 1HZ LYS 8 1HZ LYS 8 2.903 -11.425 -3.267 71 2HZ LYS 8 2HZ LYS 8 2.778 -10.143 -4.375 72 3HZ LYS 8 3HZ LYS 8 3.322 -11.661 -4.897 73 H GLY 9 HN GLY 9 -4.189 -7.739 -2.431 74 1HA GLY 9 2HA GLY 9 -6.067 -8.638 -1.200 75 2HA GLY 9 1HA GLY 9 -4.976 -9.789 -0.429 76 H ARG 10 HN ARG 10 -4.466 -6.286 -0.734 77 HA ARG 10 HA ARG 10 -5.000 -5.926 2.179 78 1HB ARG 10 2HB ARG 10 -2.390 -5.295 0.757 79 2HB ARG 10 1HB ARG 10 -2.746 -4.920 2.443 80 1HG ARG 10 2HG ARG 10 -3.135 -7.376 2.834 81 2HG ARG 10 1HG ARG 10 -2.566 -7.674 1.190 82 1HD ARG 10 2HD ARG 10 -0.373 -6.894 1.688 83 2HD ARG 10 1HD ARG 10 -0.904 -6.135 3.201 84 HE ARG 10 HE ARG 10 -1.054 -9.099 2.811 85 1HH1 ARG 10 1HH2 ARG 10 -2.173 -7.920 5.311 86 2HH1 ARG 10 2HH2 ARG 10 -0.844 -8.057 6.413 87 1HH2 ARG 10 1HH1 ARG 10 1.512 -8.573 3.923 88 2HH2 ARG 10 2HH1 ARG 10 1.242 -8.425 5.628 89 H THR 11 HN THR 11 -6.559 -4.298 1.949 90 HA THR 11 HA THR 11 -6.473 -2.299 -0.136 91 HB THR 11 HB THR 11 -7.982 -2.317 2.487 92 HG1 THR 11 1HG THR 11 -9.557 -3.393 1.312 93 1HG2 THR 11 1HG2 THR 11 -8.424 -0.217 1.660 94 2HG2 THR 11 2HG2 THR 11 -9.608 -1.116 0.713 95 3HG2 THR 11 3HG2 THR 11 -8.054 -0.676 0.000 96 H PHE 12 HN PHE 12 -6.244 0.062 0.261 97 HA PHE 12 HA PHE 12 -4.473 0.703 2.591 98 1HB PHE 12 2HB PHE 12 -4.175 1.224 -0.372 99 2HB PHE 12 1HB PHE 12 -3.435 2.332 0.804 100 HD1 PHE 12 1HD PHE 12 -1.566 1.615 2.210 101 HD2 PHE 12 2HD PHE 12 -3.600 -1.091 -0.436 102 HE1 PHE 12 1HE PHE 12 0.260 -0.053 2.513 103 HE2 PHE 12 2HE PHE 12 -1.800 -2.764 -0.089 104 HZ PHE 12 HZ PHE 12 0.127 -2.248 1.375 105 H ARG 13 HN ARG 13 -5.249 2.357 3.785 106 HA ARG 13 HA ARG 13 -7.121 4.321 2.500 107 1HB ARG 13 2HB ARG 13 -7.302 2.588 4.895 108 2HB ARG 13 1HB ARG 13 -7.817 4.255 5.153 109 1HG ARG 13 2HG ARG 13 -9.657 4.031 3.825 110 2HG ARG 13 1HG ARG 13 -8.810 3.021 2.652 111 1HD ARG 13 2HD ARG 13 -9.107 1.053 3.986 112 2HD ARG 13 1HD ARG 13 -9.631 2.002 5.390 113 HE ARG 13 HE ARG 13 -11.197 1.994 2.839 114 1HH1 ARG 13 1HH2 ARG 13 -11.448 0.094 5.396 115 2HH1 ARG 13 2HH2 ARG 13 -12.901 0.757 6.066 116 1HH2 ARG 13 1HH1 ARG 13 -12.845 3.590 4.071 117 2HH2 ARG 13 2HH1 ARG 13 -13.693 2.736 5.316 118 H ASN 14 HN ASN 14 -4.238 4.555 2.783 119 HA ASN 14 HA ASN 14 -4.079 7.147 4.105 120 1HB ASN 14 2HB ASN 14 -3.884 4.919 5.743 121 2HB ASN 14 1HB ASN 14 -2.194 5.292 5.407 122 1HD2 ASN 14 1HD2 ASN 14 -1.306 7.232 6.318 123 2HD2 ASN 14 2HD2 ASN 14 -2.183 8.238 7.366 124 H GLU 15 HN GLU 15 -2.427 8.270 3.133 125 HA GLU 15 HA GLU 15 -0.907 7.157 0.975 126 1HB GLU 15 2HB GLU 15 -1.618 9.606 1.690 127 2HB GLU 15 1HB GLU 15 -0.046 9.603 2.490 128 1HG GLU 15 2HG GLU 15 1.122 9.320 0.466 129 2HG GLU 15 1HG GLU 15 -0.309 8.738 -0.384 130 H LYS 16 HN LYS 16 -0.031 7.868 4.359 131 HA LYS 16 HA LYS 16 2.727 7.356 4.264 132 1HB LYS 16 2HB LYS 16 1.421 8.291 6.165 133 2HB LYS 16 1HB LYS 16 0.758 6.682 6.459 134 1HG LYS 16 2HG LYS 16 3.271 5.949 6.548 135 2HG LYS 16 1HG LYS 16 3.577 7.662 6.838 136 1HD LYS 16 2HD LYS 16 2.623 7.622 8.918 137 2HD LYS 16 1HD LYS 16 1.399 6.443 8.446 138 1HE LYS 16 2HE LYS 16 2.762 4.631 8.925 139 2HE LYS 16 1HE LYS 16 4.250 5.524 8.552 140 1HZ LYS 16 1HZ LYS 16 3.967 5.235 10.950 141 2HZ LYS 16 2HZ LYS 16 2.472 6.038 10.880 142 3HZ LYS 16 3HZ LYS 16 3.907 6.874 10.520 143 H GLU 17 HN GLU 17 0.073 5.102 4.723 144 HA GLU 17 HA GLU 17 1.646 2.734 5.172 145 1HB GLU 17 2HB GLU 17 -1.155 3.232 4.118 146 2HB GLU 17 1HB GLU 17 -0.546 1.627 4.520 147 1HG GLU 17 2HG GLU 17 -0.643 3.959 6.449 148 2HG GLU 17 1HG GLU 17 -1.838 2.665 6.378 149 H LEU 18 HN LEU 18 -0.352 3.398 2.305 150 HA LEU 18 HA LEU 18 0.750 1.513 0.574 151 1HB LEU 18 2HB LEU 18 -1.286 3.074 0.374 152 2HB LEU 18 1HB LEU 18 -0.159 4.270 -0.264 153 HG LEU 18 HG LEU 18 0.535 2.602 -1.997 154 1HD1 LEU 18 1HD1 LEU 18 -0.530 0.695 -0.455 155 2HD1 LEU 18 2HD1 LEU 18 -0.464 0.523 -2.183 156 3HD1 LEU 18 3HD1 LEU 18 -1.954 1.044 -1.420 157 1HD2 LEU 18 1HD2 LEU 18 -2.449 2.999 -2.114 158 2HD2 LEU 18 2HD2 LEU 18 -1.272 3.101 -3.424 159 3HD2 LEU 18 3HD2 LEU 18 -1.351 4.376 -2.208 160 H ARG 19 HN ARG 19 1.889 4.855 1.095 161 HA ARG 19 HA ARG 19 3.894 4.891 -0.940 162 1HB ARG 19 2HB ARG 19 3.565 6.241 1.748 163 2HB ARG 19 1HB ARG 19 4.911 6.619 0.675 164 1HG ARG 19 2HG ARG 19 2.258 6.622 -0.630 165 2HG ARG 19 1HG ARG 19 2.483 7.876 0.587 166 1HD ARG 19 2HD ARG 19 4.785 7.528 -1.242 167 2HD ARG 19 1HD ARG 19 3.305 8.143 -2.005 168 HE ARG 19 HE ARG 19 3.491 10.106 -0.686 169 1HH1 ARG 19 1HH2 ARG 19 3.809 8.562 1.925 170 2HH1 ARG 19 2HH2 ARG 19 5.365 9.111 2.451 171 1HH2 ARG 19 1HH1 ARG 19 6.251 10.401 -0.643 172 2HH2 ARG 19 2HH1 ARG 19 6.747 10.152 0.998 173 H ASP 20 HN ASP 20 3.764 3.233 2.123 174 HA ASP 20 HA ASP 20 6.696 2.703 2.094 175 1HB ASP 20 2HB ASP 20 4.435 2.571 4.065 176 2HB ASP 20 1HB ASP 20 5.881 1.601 4.357 177 H PHE 21 HN PHE 21 3.688 1.211 1.217 178 HA PHE 21 HA PHE 21 4.545 -1.557 1.656 179 1HB PHE 21 2HB PHE 21 2.213 -0.874 1.769 180 2HB PHE 21 1HB PHE 21 2.237 -0.329 0.104 181 HD1 PHE 21 1HD PHE 21 2.114 -1.915 -1.727 182 HD2 PHE 21 2HD PHE 21 2.636 -3.238 2.315 183 HE1 PHE 21 1HE PHE 21 1.725 -4.255 -2.448 184 HE2 PHE 21 2HE PHE 21 2.218 -5.589 1.607 185 HZ PHE 21 HZ PHE 21 1.769 -6.094 -0.781 186 H ILE 22 HN ILE 22 3.437 -0.119 -1.409 187 HA ILE 22 HA ILE 22 4.558 -1.887 -3.225 188 HB ILE 22 HB ILE 22 4.216 1.123 -3.407 189 1HG1 ILE 22 2HG1 ILE 22 2.242 -0.147 -4.881 190 2HG1 ILE 22 1HG1 ILE 22 2.445 -1.227 -3.507 191 1HG2 ILE 22 1HG2 ILE 22 4.196 0.804 -5.835 192 2HG2 ILE 22 2HG2 ILE 22 4.454 -0.928 -5.627 193 3HG2 ILE 22 3HG2 ILE 22 5.725 0.212 -5.183 194 1HD1 ILE 22 1HD1 ILE 22 1.489 0.221 -2.086 195 2HD1 ILE 22 2HD1 ILE 22 0.916 1.063 -3.525 196 3HD1 ILE 22 3HD1 ILE 22 2.400 1.592 -2.730 197 H GLU 23 HN GLU 23 6.149 0.734 -1.513 198 HA GLU 23 HA GLU 23 8.639 0.673 -3.016 199 1HB GLU 23 2HB GLU 23 7.802 2.581 -1.633 200 2HB GLU 23 1HB GLU 23 8.023 1.598 -0.186 201 1HG GLU 23 2HG GLU 23 10.022 2.808 -0.250 202 2HG GLU 23 1HG GLU 23 10.474 1.317 -1.075 203 H LYS 24 HN LYS 24 7.516 -0.779 0.035 204 HA LYS 24 HA LYS 24 10.010 -2.178 0.587 205 1HB LYS 24 2HB LYS 24 8.201 -1.486 2.231 206 2HB LYS 24 1HB LYS 24 7.189 -2.762 1.553 207 1HG LYS 24 2HG LYS 24 9.372 -4.228 2.022 208 2HG LYS 24 1HG LYS 24 9.641 -2.984 3.242 209 1HD LYS 24 2HD LYS 24 7.571 -3.450 4.323 210 2HD LYS 24 1HD LYS 24 6.993 -4.414 2.963 211 1HE LYS 24 2HE LYS 24 8.847 -6.056 3.408 212 2HE LYS 24 1HE LYS 24 9.247 -5.132 4.869 213 1HZ LYS 24 1HZ LYS 24 6.597 -6.314 4.225 214 2HZ LYS 24 2HZ LYS 24 6.942 -5.373 5.596 215 3HZ LYS 24 3HZ LYS 24 7.680 -6.890 5.397 216 H PHE 25 HN PHE 25 6.835 -3.097 -0.760 217 HA PHE 25 HA PHE 25 7.380 -5.834 -1.238 218 1HB PHE 25 2HB PHE 25 5.138 -5.046 -1.284 219 2HB PHE 25 1HB PHE 25 5.530 -3.764 -2.423 220 HD1 PHE 25 1HD PHE 25 4.553 -4.077 -4.482 221 HD2 PHE 25 2HD PHE 25 6.040 -7.500 -2.360 222 HE1 PHE 25 1HE PHE 25 3.917 -5.522 -6.388 223 HE2 PHE 25 2HE PHE 25 5.400 -8.957 -4.265 224 HZ PHE 25 HZ PHE 25 4.339 -7.969 -6.280 225 H LYS 26 HN LYS 26 6.848 -3.948 -4.126 226 HA LYS 26 HA LYS 26 9.573 -4.339 -5.152 227 1HB LYS 26 2HB LYS 26 7.036 -5.625 -6.153 228 2HB LYS 26 1HB LYS 26 8.541 -5.616 -7.080 229 1HG LYS 26 2HG LYS 26 9.602 -6.639 -4.953 230 2HG LYS 26 1HG LYS 26 7.940 -6.969 -4.460 231 1HD LYS 26 2HD LYS 26 7.549 -8.364 -6.358 232 2HD LYS 26 1HD LYS 26 9.025 -7.815 -7.154 233 1HE LYS 26 2HE LYS 26 9.274 -9.114 -4.460 234 2HE LYS 26 1HE LYS 26 9.001 -10.143 -5.881 235 1HZ LYS 26 1HZ LYS 26 11.340 -9.798 -5.681 236 2HZ LYS 26 2HZ LYS 26 11.144 -8.119 -5.521 237 3HZ LYS 26 3HZ LYS 26 10.803 -8.873 -7.000 238 H GLY 27 HN GLY 27 6.329 -3.824 -6.430 239 1HA GLY 27 2HA GLY 27 5.415 -1.719 -7.183 240 2HA GLY 27 1HA GLY 27 7.058 -1.087 -7.319 241 H ARG 28 HN ARG 28 7.965 -3.605 -8.676 242 HA ARG 28 HA ARG 28 6.717 -3.098 -11.360 243 1HB ARG 28 2HB ARG 28 9.530 -3.461 -10.372 244 2HB ARG 28 1HB ARG 28 9.138 -3.943 -12.024 245 1HG ARG 28 2HG ARG 28 9.636 -1.741 -12.441 246 2HG ARG 28 1HG ARG 28 7.942 -1.535 -12.000 247 1HD ARG 28 2HD ARG 28 8.535 -0.253 -10.230 248 2HD ARG 28 1HD ARG 28 9.553 -1.561 -9.595 249 HE ARG 28 HE ARG 28 10.478 0.454 -11.606 250 1HH1 ARG 28 1HH2 ARG 28 11.747 -2.386 -11.147 251 2HH1 ARG 28 2HH2 ARG 28 13.122 -1.931 -10.198 252 1HH2 ARG 28 1HH1 ARG 28 11.937 1.257 -9.525 253 2HH2 ARG 28 2HH1 ARG 28 13.230 0.131 -9.280 Start of MODEL 23 1 1H GLU 1 1HT GLU 1 -18.017 7.303 -0.805 2 2H GLU 1 2HT GLU 1 -16.861 7.492 -2.036 3 3H GLU 1 3HT GLU 1 -16.874 8.553 -0.708 4 HA GLU 1 HA GLU 1 -16.328 6.664 0.773 5 1HB GLU 1 2HB GLU 1 -17.420 5.075 -0.870 6 2HB GLU 1 1HB GLU 1 -15.988 5.244 -1.884 7 1HG GLU 1 2HG GLU 1 -15.484 3.333 -0.626 8 2HG GLU 1 1HG GLU 1 -14.681 4.609 0.288 9 H GLN 2 HN GLN 2 -14.082 6.413 1.258 10 HA GLN 2 HA GLN 2 -12.266 8.063 -0.420 11 1HB GLN 2 2HB GLN 2 -12.750 8.003 2.238 12 2HB GLN 2 1HB GLN 2 -11.419 6.848 2.164 13 1HG GLN 2 2HG GLN 2 -9.875 8.460 1.636 14 2HG GLN 2 1HG GLN 2 -10.999 9.308 0.572 15 1HE2 GLN 2 1HE2 GLN 2 -12.583 10.797 1.614 16 2HE2 GLN 2 2HE2 GLN 2 -12.250 11.446 3.147 17 H TYR 3 HN TYR 3 -9.898 6.838 0.509 18 HA TYR 3 HA TYR 3 -8.814 5.310 -1.337 19 1HB TYR 3 2HB TYR 3 -8.666 5.405 1.595 20 2HB TYR 3 1HB TYR 3 -7.973 3.941 0.896 21 HD1 TYR 3 1HD TYR 3 -7.705 7.553 1.202 22 HD2 TYR 3 2HD TYR 3 -6.166 4.054 -0.747 23 HE1 TYR 3 1HE TYR 3 -5.737 8.846 0.479 24 HE2 TYR 3 2HE TYR 3 -4.176 5.341 -1.486 25 HH TYR 3 HH TYR 3 -3.589 7.750 -1.901 26 H THR 4 HN THR 4 -8.694 3.316 -2.136 27 HA THR 4 HA THR 4 -9.970 1.005 -0.893 28 HB THR 4 HB THR 4 -10.897 1.590 -3.678 29 HG1 THR 4 1HG THR 4 -12.124 2.654 -1.354 30 1HG2 THR 4 1HG2 THR 4 -11.552 -0.166 -1.421 31 2HG2 THR 4 2HG2 THR 4 -11.916 -0.354 -3.139 32 3HG2 THR 4 3HG2 THR 4 -12.975 0.617 -2.117 33 H ALA 5 HN ALA 5 -7.288 2.003 -1.902 34 HA ALA 5 HA ALA 5 -6.603 0.596 -4.313 35 1HB ALA 5 1HB ALA 5 -5.505 2.549 -2.768 36 2HB ALA 5 2HB ALA 5 -4.597 1.639 -3.978 37 3HB ALA 5 3HB ALA 5 -4.525 1.158 -2.274 38 H LYS 6 HN LYS 6 -6.156 -1.571 -4.508 39 HA LYS 6 HA LYS 6 -5.404 -3.057 -2.016 40 1HB LYS 6 2HB LYS 6 -6.449 -5.029 -3.190 41 2HB LYS 6 1HB LYS 6 -7.584 -3.750 -2.767 42 1HG LYS 6 2HG LYS 6 -7.953 -3.163 -4.947 43 2HG LYS 6 1HG LYS 6 -6.306 -3.548 -5.442 44 1HD LYS 6 2HD LYS 6 -8.001 -5.830 -4.564 45 2HD LYS 6 1HD LYS 6 -8.407 -5.094 -6.114 46 1HE LYS 6 2HE LYS 6 -5.700 -5.259 -6.363 47 2HE LYS 6 1HE LYS 6 -6.026 -6.690 -5.363 48 1HZ LYS 6 1HZ LYS 6 -7.773 -7.332 -6.896 49 2HZ LYS 6 2HZ LYS 6 -6.297 -7.185 -7.726 50 3HZ LYS 6 3HZ LYS 6 -7.468 -5.967 -7.859 51 H TYR 7 HN TYR 7 -3.589 -4.325 -2.139 52 HA TYR 7 HA TYR 7 -2.123 -4.361 -4.756 53 1HB TYR 7 2HB TYR 7 -1.240 -3.796 -1.924 54 2HB TYR 7 1HB TYR 7 -0.088 -4.229 -3.181 55 HD1 TYR 7 1HD TYR 7 0.741 -2.604 -4.591 56 HD2 TYR 7 2HD TYR 7 -2.923 -1.926 -2.484 57 HE1 TYR 7 1HE TYR 7 0.714 -0.277 -5.410 58 HE2 TYR 7 2HE TYR 7 -2.973 0.413 -3.282 59 HH TYR 7 HH TYR 7 -2.006 1.683 -5.286 60 H LYS 8 HN LYS 8 -2.760 -6.054 -1.703 61 HA LYS 8 HA LYS 8 -2.269 -8.650 -3.028 62 1HB LYS 8 2HB LYS 8 -0.070 -7.761 -2.162 63 2HB LYS 8 1HB LYS 8 -0.762 -7.775 -0.541 64 1HG LYS 8 2HG LYS 8 0.417 -9.837 -0.744 65 2HG LYS 8 1HG LYS 8 -1.287 -10.248 -0.942 66 1HD LYS 8 2HD LYS 8 -0.011 -11.380 -2.674 67 2HD LYS 8 1HD LYS 8 -0.976 -10.110 -3.426 68 1HE LYS 8 2HE LYS 8 0.893 -8.720 -3.776 69 2HE LYS 8 1HE LYS 8 1.860 -9.557 -2.546 70 1HZ LYS 8 1HZ LYS 8 0.853 -10.825 -5.038 71 2HZ LYS 8 2HZ LYS 8 1.891 -11.525 -3.888 72 3HZ LYS 8 3HZ LYS 8 2.429 -10.229 -4.846 73 H GLY 9 HN GLY 9 -4.721 -7.909 -2.303 74 1HA GLY 9 2HA GLY 9 -6.557 -8.657 -1.036 75 2HA GLY 9 1HA GLY 9 -5.453 -9.738 -0.181 76 H ARG 10 HN ARG 10 -4.896 -6.282 -0.410 77 HA ARG 10 HA ARG 10 -5.852 -5.846 2.381 78 1HB ARG 10 2HB ARG 10 -3.026 -5.325 1.372 79 2HB ARG 10 1HB ARG 10 -3.623 -4.980 2.998 80 1HG ARG 10 2HG ARG 10 -4.151 -7.431 3.253 81 2HG ARG 10 1HG ARG 10 -3.338 -7.710 1.713 82 1HD ARG 10 2HD ARG 10 -1.230 -6.930 2.587 83 2HD ARG 10 1HD ARG 10 -2.004 -6.344 4.074 84 HE ARG 10 HE ARG 10 -2.005 -9.244 3.320 85 1HH1 ARG 10 1HH1 ARG 10 -3.523 -7.829 5.676 86 2HH1 ARG 10 2HH1 ARG 10 -2.523 -8.327 7.000 87 1HH2 ARG 10 1HH2 ARG 10 0.085 -9.389 4.975 88 2HH2 ARG 10 2HH2 ARG 10 -0.481 -9.212 6.603 89 H THR 11 HN THR 11 -7.322 -4.176 1.732 90 HA THR 11 HA THR 11 -6.699 -2.229 -0.283 91 HB THR 11 HB THR 11 -8.623 -2.059 2.060 92 HG1 THR 11 1HG THR 11 -10.094 -2.865 0.529 93 1HG2 THR 11 1HG2 THR 11 -9.546 -0.207 1.067 94 2HG2 THR 11 2HG2 THR 11 -9.113 -0.739 -0.557 95 3HG2 THR 11 3HG2 THR 11 -7.894 0.003 0.481 96 H PHE 12 HN PHE 12 -5.716 -0.177 -0.061 97 HA PHE 12 HA PHE 12 -4.322 0.321 2.525 98 1HB PHE 12 2HB PHE 12 -3.901 1.121 -0.371 99 2HB PHE 12 1HB PHE 12 -3.015 1.910 0.952 100 HD1 PHE 12 1HD PHE 12 -1.190 0.797 2.030 101 HD2 PHE 12 2HD PHE 12 -3.833 -1.336 -0.577 102 HE1 PHE 12 1HE PHE 12 0.324 -1.174 2.128 103 HE2 PHE 12 2HE PHE 12 -2.358 -3.342 -0.439 104 HZ PHE 12 HZ PHE 12 -0.269 -3.248 0.898 105 H ARG 13 HN ARG 13 -5.520 1.597 3.844 106 HA ARG 13 HA ARG 13 -7.157 3.803 2.682 107 1HB ARG 13 2HB ARG 13 -8.221 3.765 4.926 108 2HB ARG 13 1HB ARG 13 -8.243 2.174 4.169 109 1HG ARG 13 2HG ARG 13 -6.838 1.273 5.719 110 2HG ARG 13 1HG ARG 13 -5.843 2.725 5.806 111 1HD ARG 13 2HD ARG 13 -7.545 3.831 7.208 112 2HD ARG 13 1HD ARG 13 -8.569 2.385 7.108 113 HE ARG 13 HE ARG 13 -5.799 2.265 8.236 114 1HH1 ARG 13 1HH2 ARG 13 -7.288 -0.287 7.895 115 2HH1 ARG 13 2HH2 ARG 13 -8.025 -0.501 9.448 116 1HH2 ARG 13 1HH1 ARG 13 -7.561 2.795 10.417 117 2HH2 ARG 13 2HH1 ARG 13 -8.180 1.244 10.876 118 H ASN 14 HN ASN 14 -4.205 3.962 2.937 119 HA ASN 14 HA ASN 14 -4.077 6.544 4.361 120 1HB ASN 14 2HB ASN 14 -3.643 4.374 5.857 121 2HB ASN 14 1HB ASN 14 -2.040 4.491 5.133 122 1HD2 ASN 14 1HD2 ASN 14 -0.629 6.080 5.962 123 2HD2 ASN 14 2HD2 ASN 14 -1.084 7.246 7.109 124 H GLU 15 HN GLU 15 -2.386 7.827 3.541 125 HA GLU 15 HA GLU 15 -1.219 7.002 0.999 126 1HB GLU 15 2HB GLU 15 -1.963 9.348 2.187 127 2HB GLU 15 1HB GLU 15 -0.213 9.408 2.408 128 1HG GLU 15 2HG GLU 15 0.204 9.571 0.156 129 2HG GLU 15 1HG GLU 15 -1.188 8.577 -0.278 130 H LYS 16 HN LYS 16 -0.016 7.465 4.311 131 HA LYS 16 HA LYS 16 2.757 7.202 3.788 132 1HB LYS 16 2HB LYS 16 1.332 7.856 5.908 133 2HB LYS 16 1HB LYS 16 1.481 6.136 6.275 134 1HG LYS 16 2HG LYS 16 4.063 6.768 5.585 135 2HG LYS 16 1HG LYS 16 3.530 8.261 6.356 136 1HD LYS 16 2HD LYS 16 3.262 7.268 8.417 137 2HD LYS 16 1HD LYS 16 2.843 5.702 7.723 138 1HE LYS 16 2HE LYS 16 5.259 5.481 6.980 139 2HE LYS 16 1HE LYS 16 5.611 6.926 7.949 140 1HZ LYS 16 1HZ LYS 16 5.840 4.741 9.151 141 2HZ LYS 16 2HZ LYS 16 4.152 4.582 9.033 142 3HZ LYS 16 3HZ LYS 16 4.823 5.880 9.896 143 H GLU 17 HN GLU 17 0.316 4.796 4.563 144 HA GLU 17 HA GLU 17 1.981 2.486 4.738 145 1HB GLU 17 2HB GLU 17 -0.884 3.129 4.235 146 2HB GLU 17 1HB GLU 17 -0.357 1.505 3.793 147 1HG GLU 17 2HG GLU 17 0.113 2.779 6.503 148 2HG GLU 17 1HG GLU 17 -1.191 1.646 6.143 149 H LEU 18 HN LEU 18 -0.009 3.555 1.963 150 HA LEU 18 HA LEU 18 0.924 1.716 0.040 151 1HB LEU 18 2HB LEU 18 -0.901 3.692 0.132 152 2HB LEU 18 1HB LEU 18 0.361 4.548 -0.750 153 HG LEU 18 HG LEU 18 0.405 2.772 -2.443 154 1HD1 LEU 18 1HD1 LEU 18 -0.889 1.253 -0.431 155 2HD1 LEU 18 2HD1 LEU 18 -0.452 0.703 -2.044 156 3HD1 LEU 18 3HD1 LEU 18 -2.046 1.400 -1.739 157 1HD2 LEU 18 1HD2 LEU 18 -2.230 4.060 -1.767 158 2HD2 LEU 18 2HD2 LEU 18 -2.060 3.054 -3.206 159 3HD2 LEU 18 3HD2 LEU 18 -1.074 4.506 -3.023 160 H ARG 19 HN ARG 19 2.207 4.983 0.754 161 HA ARG 19 HA ARG 19 4.320 4.983 -1.159 162 1HB ARG 19 2HB ARG 19 3.920 6.261 1.552 163 2HB ARG 19 1HB ARG 19 5.328 6.613 0.551 164 1HG ARG 19 2HG ARG 19 3.833 7.313 -1.294 165 2HG ARG 19 1HG ARG 19 2.433 6.994 -0.268 166 1HD ARG 19 2HD ARG 19 3.300 8.667 1.378 167 2HD ARG 19 1HD ARG 19 4.611 9.050 0.247 168 HE ARG 19 HE ARG 19 1.883 9.159 -0.855 169 1HH1 ARG 19 1HH1 ARG 19 2.808 11.205 1.384 170 2HH1 ARG 19 2HH1 ARG 19 3.161 12.568 0.375 171 1HH2 ARG 19 1HH2 ARG 19 3.110 10.737 -2.569 172 2HH2 ARG 19 2HH2 ARG 19 3.332 12.303 -1.862 173 H ASP 20 HN ASP 20 3.970 3.243 1.848 174 HA ASP 20 HA ASP 20 6.870 2.597 1.963 175 1HB ASP 20 2HB ASP 20 5.476 3.297 3.963 176 2HB ASP 20 1HB ASP 20 4.599 1.776 3.794 177 H PHE 21 HN PHE 21 3.688 1.020 1.539 178 HA PHE 21 HA PHE 21 4.549 -1.693 1.476 179 1HB PHE 21 2HB PHE 21 2.217 -0.937 1.572 180 2HB PHE 21 1HB PHE 21 2.313 -0.335 -0.069 181 HD1 PHE 21 1HD PHE 21 2.242 -1.834 -1.968 182 HD2 PHE 21 2HD PHE 21 2.562 -3.331 2.037 183 HE1 PHE 21 1HE PHE 21 1.820 -4.137 -2.797 184 HE2 PHE 21 2HE PHE 21 2.116 -5.641 1.219 185 HZ PHE 21 HZ PHE 21 1.750 -6.039 -1.204 186 H ILE 22 HN ILE 22 3.550 0.033 -1.476 187 HA ILE 22 HA ILE 22 4.747 -1.582 -3.397 188 HB ILE 22 HB ILE 22 4.329 1.421 -3.328 189 1HG1 ILE 22 2HG1 ILE 22 2.453 0.212 -4.973 190 2HG1 ILE 22 1HG1 ILE 22 2.629 -0.953 -3.667 191 1HG2 ILE 22 1HG2 ILE 22 4.390 1.311 -5.775 192 2HG2 ILE 22 2HG2 ILE 22 4.694 -0.425 -5.705 193 3HG2 ILE 22 3HG2 ILE 22 5.917 0.708 -5.125 194 1HD1 ILE 22 1HD1 ILE 22 1.608 0.393 -2.172 195 2HD1 ILE 22 2HD1 ILE 22 1.014 1.261 -3.587 196 3HD1 ILE 22 3HD1 ILE 22 2.457 1.828 -2.751 197 H GLU 23 HN GLU 23 6.218 0.925 -1.417 198 HA GLU 23 HA GLU 23 8.773 0.986 -2.841 199 1HB GLU 23 2HB GLU 23 7.803 2.862 -1.504 200 2HB GLU 23 1HB GLU 23 7.990 1.887 -0.046 201 1HG GLU 23 2HG GLU 23 9.981 3.047 0.044 202 2HG GLU 23 1HG GLU 23 10.497 1.692 -0.960 203 H LYS 24 HN LYS 24 7.417 -0.731 -0.068 204 HA LYS 24 HA LYS 24 9.987 -1.938 0.700 205 1HB LYS 24 2HB LYS 24 8.070 -1.297 2.241 206 2HB LYS 24 1HB LYS 24 7.157 -2.637 1.546 207 1HG LYS 24 2HG LYS 24 9.446 -3.933 2.145 208 2HG LYS 24 1HG LYS 24 9.489 -2.686 3.393 209 1HD LYS 24 2HD LYS 24 6.950 -4.222 2.907 210 2HD LYS 24 1HD LYS 24 8.235 -4.938 3.880 211 1HE LYS 24 2HE LYS 24 8.101 -2.407 4.948 212 2HE LYS 24 1HE LYS 24 6.401 -2.726 4.550 213 1HZ LYS 24 1HZ LYS 24 6.848 -3.664 6.689 214 2HZ LYS 24 2HZ LYS 24 8.228 -4.472 6.113 215 3HZ LYS 24 3HZ LYS 24 6.688 -4.946 5.585 216 H PHE 25 HN PHE 25 6.900 -3.087 -0.713 217 HA PHE 25 HA PHE 25 8.030 -5.707 -1.312 218 1HB PHE 25 2HB PHE 25 5.698 -5.344 -0.547 219 2HB PHE 25 1HB PHE 25 5.379 -4.418 -2.014 220 HD1 PHE 25 1HD PHE 25 4.112 -5.615 -3.536 221 HD2 PHE 25 2HD PHE 25 7.144 -7.654 -1.286 222 HE1 PHE 25 1HE PHE 25 3.612 -7.712 -4.767 223 HE2 PHE 25 2HE PHE 25 6.647 -9.753 -2.515 224 HZ PHE 25 HZ PHE 25 4.881 -9.780 -4.256 225 H LYS 26 HN LYS 26 9.634 -3.968 -2.648 226 HA LYS 26 HA LYS 26 8.754 -3.199 -5.277 227 1HB LYS 26 2HB LYS 26 11.365 -3.561 -3.843 228 2HB LYS 26 1HB LYS 26 11.367 -3.221 -5.574 229 1HG LYS 26 2HG LYS 26 10.172 -1.159 -5.252 230 2HG LYS 26 1HG LYS 26 9.859 -1.539 -3.559 231 1HD LYS 26 2HD LYS 26 11.682 -0.051 -3.451 232 2HD LYS 26 1HD LYS 26 12.443 -1.638 -3.327 233 1HE LYS 26 2HE LYS 26 13.759 -0.873 -5.043 234 2HE LYS 26 1HE LYS 26 12.360 -1.275 -6.059 235 1HZ LYS 26 1HZ LYS 26 13.108 1.070 -6.281 236 2HZ LYS 26 2HZ LYS 26 12.705 1.318 -4.653 237 3HZ LYS 26 3HZ LYS 26 11.493 0.917 -5.774 238 H GLY 27 HN GLY 27 9.815 -6.215 -3.956 239 1HA GLY 27 2HA GLY 27 9.219 -8.236 -5.313 240 2HA GLY 27 1HA GLY 27 9.873 -7.380 -6.710 241 H ARG 28 HN ARG 28 11.201 -7.688 -3.415 242 HA ARG 28 HA ARG 28 13.742 -8.698 -4.625 243 1HB ARG 28 2HB ARG 28 13.175 -6.644 -2.877 244 2HB ARG 28 1HB ARG 28 13.642 -7.936 -1.772 245 1HG ARG 28 2HG ARG 28 15.778 -7.333 -2.217 246 2HG ARG 28 1HG ARG 28 15.551 -8.130 -3.773 247 1HD ARG 28 2HD ARG 28 14.414 -5.681 -4.267 248 2HD ARG 28 1HD ARG 28 15.730 -5.247 -3.159 249 HE ARG 28 HE ARG 28 16.517 -7.156 -5.237 250 1HH1 ARG 28 1HH1 ARG 28 17.815 -4.667 -3.696 251 2HH1 ARG 28 2HH1 ARG 28 18.262 -3.720 -5.075 252 1HH2 ARG 28 1HH2 ARG 28 16.373 -5.589 -7.302 253 2HH2 ARG 28 2HH2 ARG 28 17.445 -4.241 -7.117 Start of MODEL 24 1 1H GLU 1 1HT GLU 1 -10.843 7.339 5.485 2 2H GLU 1 2HT GLU 1 -11.682 5.974 4.922 3 3H GLU 1 3HT GLU 1 -12.383 6.979 6.098 4 HA GLU 1 HA GLU 1 -13.281 7.292 3.785 5 1HB GLU 1 2HB GLU 1 -12.007 9.391 5.535 6 2HB GLU 1 1HB GLU 1 -12.919 9.861 4.100 7 1HG GLU 1 2HG GLU 1 -14.932 9.137 4.968 8 2HG GLU 1 1HG GLU 1 -14.175 7.886 5.956 9 H GLN 2 HN GLN 2 -10.596 6.222 3.264 10 HA GLN 2 HA GLN 2 -9.596 8.233 1.270 11 1HB GLN 2 2HB GLN 2 -8.331 6.882 3.429 12 2HB GLN 2 1HB GLN 2 -7.698 6.152 1.955 13 1HG GLN 2 2HG GLN 2 -6.283 8.027 2.475 14 2HG GLN 2 1HG GLN 2 -7.275 8.498 1.094 15 1HE2 GLN 2 1HE2 GLN 2 -6.423 9.341 4.329 16 2HE2 GLN 2 2HE2 GLN 2 -7.571 10.573 4.545 17 H TYR 3 HN TYR 3 -8.269 6.923 -0.511 18 HA TYR 3 HA TYR 3 -10.007 5.473 -2.128 19 1HB TYR 3 2HB TYR 3 -7.849 4.663 -3.214 20 2HB TYR 3 1HB TYR 3 -8.029 6.403 -3.021 21 HD1 TYR 3 1HD TYR 3 -6.220 7.560 -2.239 22 HD2 TYR 3 2HD TYR 3 -6.747 3.488 -0.993 23 HE1 TYR 3 1HE TYR 3 -4.126 7.681 -0.938 24 HE2 TYR 3 2HE TYR 3 -4.662 3.612 0.298 25 HH TYR 3 HH TYR 3 -2.364 5.413 -0.075 26 H THR 4 HN THR 4 -9.821 3.146 -2.828 27 HA THR 4 HA THR 4 -9.554 1.373 -0.427 28 HB THR 4 HB THR 4 -11.071 0.858 -2.994 29 HG1 THR 4 1HG THR 4 -11.903 2.181 -0.631 30 1HG2 THR 4 1HG2 THR 4 -10.959 -0.324 -0.244 31 2HG2 THR 4 2HG2 THR 4 -11.022 -1.138 -1.808 32 3HG2 THR 4 3HG2 THR 4 -12.477 -0.396 -1.140 33 H ALA 5 HN ALA 5 -7.355 2.183 -2.305 34 HA ALA 5 HA ALA 5 -6.594 0.356 -4.255 35 1HB ALA 5 1HB ALA 5 -5.464 2.443 -2.948 36 2HB ALA 5 2HB ALA 5 -4.546 1.358 -3.995 37 3HB ALA 5 3HB ALA 5 -4.537 1.107 -2.244 38 H LYS 6 HN LYS 6 -6.107 -1.826 -4.235 39 HA LYS 6 HA LYS 6 -5.537 -3.086 -1.576 40 1HB LYS 6 2HB LYS 6 -6.578 -5.120 -2.567 41 2HB LYS 6 1HB LYS 6 -7.698 -3.763 -2.458 42 1HG LYS 6 2HG LYS 6 -8.003 -3.744 -4.692 43 2HG LYS 6 1HG LYS 6 -6.267 -3.683 -4.983 44 1HD LYS 6 2HD LYS 6 -6.428 -6.254 -4.283 45 2HD LYS 6 1HD LYS 6 -8.086 -6.051 -4.849 46 1HE LYS 6 2HE LYS 6 -7.423 -5.593 -7.047 47 2HE LYS 6 1HE LYS 6 -5.808 -5.052 -6.549 48 1HZ LYS 6 1HZ LYS 6 -6.858 -7.828 -6.362 49 2HZ LYS 6 2HZ LYS 6 -5.333 -7.319 -5.811 50 3HZ LYS 6 3HZ LYS 6 -5.691 -7.279 -7.468 51 H TYR 7 HN TYR 7 -3.742 -4.381 -1.445 52 HA TYR 7 HA TYR 7 -2.196 -4.890 -3.964 53 1HB TYR 7 2HB TYR 7 -1.236 -3.893 -1.273 54 2HB TYR 7 1HB TYR 7 -0.165 -4.480 -2.527 55 HD1 TYR 7 1HD TYR 7 0.617 -3.055 -4.124 56 HD2 TYR 7 2HD TYR 7 -2.961 -2.093 -1.998 57 HE1 TYR 7 1HE TYR 7 0.584 -0.841 -5.212 58 HE2 TYR 7 2HE TYR 7 -3.031 0.132 -3.061 59 HH TYR 7 HH TYR 7 -0.362 1.362 -4.897 60 H LYS 8 HN LYS 8 -2.003 -7.071 -4.206 61 HA LYS 8 HA LYS 8 -1.844 -9.373 -3.691 62 1HB LYS 8 2HB LYS 8 0.224 -8.102 -2.632 63 2HB LYS 8 1HB LYS 8 -0.540 -8.569 -1.112 64 1HG LYS 8 2HG LYS 8 0.948 -10.353 -1.636 65 2HG LYS 8 1HG LYS 8 -0.657 -10.942 -2.076 66 1HD LYS 8 2HD LYS 8 -0.245 -10.788 -4.350 67 2HD LYS 8 1HD LYS 8 0.945 -9.500 -4.153 68 1HE LYS 8 2HE LYS 8 2.190 -11.523 -2.809 69 2HE LYS 8 1HE LYS 8 1.328 -12.435 -4.063 70 1HZ LYS 8 1HZ LYS 8 2.177 -10.893 -5.721 71 2HZ LYS 8 2HZ LYS 8 3.459 -11.634 -4.894 72 3HZ LYS 8 3HZ LYS 8 3.022 -10.035 -4.523 73 H GLY 9 HN GLY 9 -4.147 -7.691 -2.449 74 1HA GLY 9 2HA GLY 9 -6.094 -8.674 -1.398 75 2HA GLY 9 1HA GLY 9 -5.039 -9.835 -0.594 76 H ARG 10 HN ARG 10 -4.499 -6.334 -0.692 77 HA ARG 10 HA ARG 10 -5.337 -6.091 2.160 78 1HB ARG 10 2HB ARG 10 -2.589 -5.445 1.038 79 2HB ARG 10 1HB ARG 10 -3.111 -5.120 2.692 80 1HG ARG 10 2HG ARG 10 -3.593 -7.588 2.933 81 2HG ARG 10 1HG ARG 10 -2.824 -7.827 1.363 82 1HD ARG 10 2HD ARG 10 -0.729 -6.851 2.217 83 2HD ARG 10 1HD ARG 10 -1.495 -6.579 3.795 84 HE ARG 10 HE ARG 10 -1.546 -8.960 4.150 85 1HH1 ARG 10 1HH1 ARG 10 0.975 -8.181 2.263 86 2HH1 ARG 10 2HH1 ARG 10 1.060 -9.661 1.367 87 1HH2 ARG 10 1HH2 ARG 10 -2.014 -10.819 2.479 88 2HH2 ARG 10 2HH2 ARG 10 -0.632 -11.154 1.489 89 H THR 11 HN THR 11 -6.778 -4.388 1.978 90 HA THR 11 HA THR 11 -6.648 -2.379 -0.080 91 HB THR 11 HB THR 11 -8.096 -2.358 2.581 92 HG1 THR 11 1HG THR 11 -9.682 -3.456 1.518 93 1HG2 THR 11 1HG2 THR 11 -9.726 -0.960 1.272 94 2HG2 THR 11 2HG2 THR 11 -8.555 -0.918 -0.046 95 3HG2 THR 11 3HG2 THR 11 -8.158 -0.186 1.507 96 H PHE 12 HN PHE 12 -6.453 0.018 0.413 97 HA PHE 12 HA PHE 12 -4.592 0.603 2.682 98 1HB PHE 12 2HB PHE 12 -4.266 1.129 -0.286 99 2HB PHE 12 1HB PHE 12 -3.446 2.149 0.914 100 HD1 PHE 12 1HD PHE 12 -1.590 1.279 2.232 101 HD2 PHE 12 2HD PHE 12 -3.888 -1.247 -0.362 102 HE1 PHE 12 1HE PHE 12 0.104 -0.526 2.497 103 HE2 PHE 12 2HE PHE 12 -2.236 -3.063 -0.049 104 HZ PHE 12 HZ PHE 12 -0.231 -2.706 1.364 105 H ARG 13 HN ARG 13 -5.230 2.371 3.820 106 HA ARG 13 HA ARG 13 -7.087 4.333 2.513 107 1HB ARG 13 2HB ARG 13 -7.132 3.156 5.314 108 2HB ARG 13 1HB ARG 13 -8.231 4.406 4.731 109 1HG ARG 13 2HG ARG 13 -8.761 2.722 2.815 110 2HG ARG 13 1HG ARG 13 -8.048 1.519 3.893 111 1HD ARG 13 2HD ARG 13 -10.194 1.389 4.714 112 2HD ARG 13 1HD ARG 13 -9.716 2.836 5.624 113 HE ARG 13 HE ARG 13 -10.764 4.210 3.886 114 1HH1 ARG 13 1HH1 ARG 13 -12.278 1.375 4.587 115 2HH1 ARG 13 2HH1 ARG 13 -13.145 1.227 3.095 116 1HH2 ARG 13 1HH2 ARG 13 -11.407 3.783 1.524 117 2HH2 ARG 13 2HH2 ARG 13 -12.652 2.589 1.361 118 H ASN 14 HN ASN 14 -4.216 4.574 2.735 119 HA ASN 14 HA ASN 14 -4.016 7.166 4.046 120 1HB ASN 14 2HB ASN 14 -3.957 5.239 5.840 121 2HB ASN 14 1HB ASN 14 -2.304 5.013 5.267 122 1HD2 ASN 14 1HD2 ASN 14 -0.744 6.698 5.717 123 2HD2 ASN 14 2HD2 ASN 14 -1.087 7.986 6.769 124 H GLU 15 HN GLU 15 -2.376 8.276 3.032 125 HA GLU 15 HA GLU 15 -0.905 7.151 0.852 126 1HB GLU 15 2HB GLU 15 -1.562 9.612 1.611 127 2HB GLU 15 1HB GLU 15 0.042 9.573 2.344 128 1HG GLU 15 2HG GLU 15 1.019 8.937 0.164 129 2HG GLU 15 1HG GLU 15 -0.585 9.005 -0.568 130 H LYS 16 HN LYS 16 0.028 7.804 4.228 131 HA LYS 16 HA LYS 16 2.784 7.280 4.071 132 1HB LYS 16 2HB LYS 16 1.045 8.001 5.986 133 2HB LYS 16 1HB LYS 16 1.265 6.307 6.428 134 1HG LYS 16 2HG LYS 16 3.436 6.616 7.072 135 2HG LYS 16 1HG LYS 16 3.754 7.789 5.794 136 1HD LYS 16 2HD LYS 16 1.862 8.611 7.946 137 2HD LYS 16 1HD LYS 16 3.571 8.513 8.373 138 1HE LYS 16 2HE LYS 16 4.116 10.331 7.094 139 2HE LYS 16 1HE LYS 16 3.003 9.863 5.792 140 1HZ LYS 16 1HZ LYS 16 2.102 10.852 8.442 141 2HZ LYS 16 2HZ LYS 16 1.151 10.597 7.057 142 3HZ LYS 16 3HZ LYS 16 2.288 11.859 7.090 143 H GLU 17 HN GLU 17 0.127 5.046 4.607 144 HA GLU 17 HA GLU 17 1.680 2.660 4.978 145 1HB GLU 17 2HB GLU 17 -1.141 3.333 4.159 146 2HB GLU 17 1HB GLU 17 -0.600 1.653 4.161 147 1HG GLU 17 2HG GLU 17 -0.392 3.526 6.536 148 2HG GLU 17 1HG GLU 17 -1.665 2.325 6.315 149 H LEU 18 HN LEU 18 -0.245 3.585 2.106 150 HA LEU 18 HA LEU 18 0.738 1.658 0.309 151 1HB LEU 18 2HB LEU 18 -1.131 3.531 0.218 152 2HB LEU 18 1HB LEU 18 0.135 4.472 -0.566 153 HG LEU 18 HG LEU 18 0.417 2.683 -2.244 154 1HD1 LEU 18 1HD1 LEU 18 -0.924 1.095 -0.373 155 2HD1 LEU 18 2HD1 LEU 18 -0.497 0.609 -1.995 156 3HD1 LEU 18 3HD1 LEU 18 -2.087 1.288 -1.665 157 1HD2 LEU 18 1HD2 LEU 18 -2.499 3.451 -2.012 158 2HD2 LEU 18 2HD2 LEU 18 -1.579 3.159 -3.488 159 3HD2 LEU 18 3HD2 LEU 18 -1.241 4.586 -2.506 160 H ARG 19 HN ARG 19 2.017 4.958 0.860 161 HA ARG 19 HA ARG 19 4.130 4.869 -1.046 162 1HB ARG 19 2HB ARG 19 3.633 6.292 1.560 163 2HB ARG 19 1HB ARG 19 5.136 6.543 0.672 164 1HG ARG 19 2HG ARG 19 2.541 6.726 -0.810 165 2HG ARG 19 1HG ARG 19 3.041 8.085 0.199 166 1HD ARG 19 2HD ARG 19 5.377 7.562 -1.117 167 2HD ARG 19 1HD ARG 19 4.186 7.131 -2.360 168 HE ARG 19 HE ARG 19 3.988 9.728 -0.894 169 1HH1 ARG 19 1HH2 ARG 19 5.680 9.043 -3.515 170 2HH1 ARG 19 2HH2 ARG 19 4.669 9.824 -4.685 171 1HH2 ARG 19 1HH1 ARG 19 2.002 10.222 -2.505 172 2HH2 ARG 19 2HH1 ARG 19 2.587 10.492 -4.113 173 H ASP 20 HN ASP 20 3.787 3.256 2.026 174 HA ASP 20 HA ASP 20 6.698 2.644 2.165 175 1HB ASP 20 2HB ASP 20 4.316 2.455 4.004 176 2HB ASP 20 1HB ASP 20 5.808 1.594 4.382 177 H PHE 21 HN PHE 21 3.556 1.129 1.569 178 HA PHE 21 HA PHE 21 4.400 -1.619 1.824 179 1HB PHE 21 2HB PHE 21 2.068 -0.859 1.864 180 2HB PHE 21 1HB PHE 21 2.163 -0.380 0.182 181 HD1 PHE 21 1HD PHE 21 2.166 -2.038 -1.609 182 HD2 PHE 21 2HD PHE 21 2.377 -3.196 2.516 183 HE1 PHE 21 1HE PHE 21 1.779 -4.406 -2.252 184 HE2 PHE 21 2HE PHE 21 1.964 -5.566 1.882 185 HZ PHE 21 HZ PHE 21 1.673 -6.168 -0.508 186 H ILE 22 HN ILE 22 3.414 -0.092 -1.239 187 HA ILE 22 HA ILE 22 4.581 -1.850 -3.047 188 HB ILE 22 HB ILE 22 4.238 1.162 -3.206 189 1HG1 ILE 22 2HG1 ILE 22 2.294 -0.092 -4.724 190 2HG1 ILE 22 1HG1 ILE 22 2.462 -1.183 -3.352 191 1HG2 ILE 22 1HG2 ILE 22 4.214 0.803 -5.656 192 2HG2 ILE 22 2HG2 ILE 22 4.584 -0.903 -5.402 193 3HG2 ILE 22 3HG2 ILE 22 5.767 0.330 -4.966 194 1HD1 ILE 22 1HD1 ILE 22 1.461 0.261 -1.954 195 2HD1 ILE 22 2HD1 ILE 22 0.950 1.131 -3.401 196 3HD1 ILE 22 3HD1 ILE 22 2.413 1.624 -2.548 197 H GLU 23 HN GLU 23 6.101 0.775 -1.263 198 HA GLU 23 HA GLU 23 8.621 0.822 -2.675 199 1HB GLU 23 2HB GLU 23 7.536 2.464 -0.955 200 2HB GLU 23 1HB GLU 23 8.243 1.405 0.266 201 1HG GLU 23 2HG GLU 23 9.933 2.999 -0.057 202 2HG GLU 23 1HG GLU 23 10.440 1.682 -1.116 203 H LYS 24 HN LYS 24 7.399 -0.974 0.132 204 HA LYS 24 HA LYS 24 9.909 -2.398 0.614 205 1HB LYS 24 2HB LYS 24 7.047 -2.533 1.570 206 2HB LYS 24 1HB LYS 24 8.200 -3.784 2.035 207 1HG LYS 24 2HG LYS 24 9.197 -1.017 2.353 208 2HG LYS 24 1HG LYS 24 7.843 -1.437 3.403 209 1HD LYS 24 2HD LYS 24 9.028 -3.127 4.487 210 2HD LYS 24 1HD LYS 24 10.138 -3.353 3.135 211 1HE LYS 24 2HE LYS 24 11.476 -2.206 4.709 212 2HE LYS 24 1HE LYS 24 10.877 -0.882 3.690 213 1HZ LYS 24 1HZ LYS 24 9.126 -0.447 5.201 214 2HZ LYS 24 2HZ LYS 24 10.537 -0.562 6.141 215 3HZ LYS 24 3HZ LYS 24 9.442 -1.856 6.097 216 H PHE 25 HN PHE 25 6.795 -3.078 -0.976 217 HA PHE 25 HA PHE 25 7.169 -5.799 -1.610 218 1HB PHE 25 2HB PHE 25 5.030 -4.807 -1.878 219 2HB PHE 25 1HB PHE 25 5.675 -3.490 -2.847 220 HD1 PHE 25 1HD PHE 25 4.951 -3.551 -5.029 221 HD2 PHE 25 2HD PHE 25 5.845 -7.250 -3.042 222 HE1 PHE 25 1HE PHE 25 4.452 -4.777 -7.118 223 HE2 PHE 25 2HE PHE 25 5.337 -8.492 -5.134 224 HZ PHE 25 HZ PHE 25 4.639 -7.257 -7.171 225 H LYS 26 HN LYS 26 7.185 -3.705 -4.403 226 HA LYS 26 HA LYS 26 9.958 -4.401 -5.132 227 1HB LYS 26 2HB LYS 26 7.402 -5.090 -6.584 228 2HB LYS 26 1HB LYS 26 8.989 -5.198 -7.346 229 1HG LYS 26 2HG LYS 26 8.189 -6.676 -4.827 230 2HG LYS 26 1HG LYS 26 8.156 -7.380 -6.436 231 1HD LYS 26 2HD LYS 26 10.718 -6.080 -5.809 232 2HD LYS 26 1HD LYS 26 10.336 -7.418 -4.727 233 1HE LYS 26 2HE LYS 26 10.840 -8.921 -6.345 234 2HE LYS 26 1HE LYS 26 9.706 -8.148 -7.470 235 1HZ LYS 26 1HZ LYS 26 11.871 -7.883 -8.379 236 2HZ LYS 26 2HZ LYS 26 12.509 -7.350 -6.898 237 3HZ LYS 26 3HZ LYS 26 11.419 -6.371 -7.758 238 H GLY 27 HN GLY 27 7.020 -3.158 -6.618 239 1HA GLY 27 2HA GLY 27 6.532 -1.185 -7.758 240 2HA GLY 27 1HA GLY 27 7.724 -0.409 -6.710 241 H ARG 28 HN ARG 28 7.932 -2.873 -9.301 242 HA ARG 28 HA ARG 28 10.211 -1.323 -10.471 243 1HB ARG 28 2HB ARG 28 10.563 -3.667 -9.677 244 2HB ARG 28 1HB ARG 28 9.346 -4.211 -10.831 245 1HG ARG 28 2HG ARG 28 11.359 -4.541 -11.999 246 2HG ARG 28 1HG ARG 28 10.804 -2.979 -12.601 247 1HD ARG 28 2HD ARG 28 12.222 -1.946 -10.696 248 2HD ARG 28 1HD ARG 28 12.997 -3.540 -10.598 249 HE ARG 28 HE ARG 28 13.179 -3.160 -13.233 250 1HH1 ARG 28 1HH1 ARG 28 15.573 -2.410 -11.675 251 2HH1 ARG 28 2HH1 ARG 28 15.803 -0.746 -12.096 252 1HH2 ARG 28 1HH2 ARG 28 12.597 -0.347 -13.357 253 2HH2 ARG 28 2HH2 ARG 28 14.118 0.422 -13.048 Start of MODEL 25 1 1H GLU 1 1HT GLU 1 -16.520 8.269 2.025 2 2H GLU 1 2HT GLU 1 -17.863 7.961 1.031 3 3H GLU 1 3HT GLU 1 -16.740 9.159 0.599 4 HA GLU 1 HA GLU 1 -16.061 6.272 0.814 5 1HB GLU 1 2HB GLU 1 -17.784 7.481 -0.975 6 2HB GLU 1 1HB GLU 1 -16.242 7.581 -1.823 7 1HG GLU 1 2HG GLU 1 -16.980 5.476 -2.490 8 2HG GLU 1 1HG GLU 1 -16.011 5.060 -1.076 9 H GLN 2 HN GLN 2 -13.905 5.866 0.141 10 HA GLN 2 HA GLN 2 -12.200 7.995 -0.923 11 1HB GLN 2 2HB GLN 2 -12.669 8.131 1.737 12 2HB GLN 2 1HB GLN 2 -11.304 7.014 1.741 13 1HG GLN 2 2HG GLN 2 -9.814 8.625 1.081 14 2HG GLN 2 1HG GLN 2 -10.967 9.348 -0.046 15 1HE2 GLN 2 1HE2 GLN 2 -9.244 10.238 2.548 16 2HE2 GLN 2 2HE2 GLN 2 -10.335 11.288 3.317 17 H TYR 3 HN TYR 3 -9.794 6.918 0.082 18 HA TYR 3 HA TYR 3 -8.639 5.302 -1.618 19 1HB TYR 3 2HB TYR 3 -8.564 5.560 1.303 20 2HB TYR 3 1HB TYR 3 -7.840 4.062 0.711 21 HD1 TYR 3 1HD TYR 3 -7.633 7.699 0.764 22 HD2 TYR 3 2HD TYR 3 -5.975 4.090 -0.861 23 HE1 TYR 3 1HE TYR 3 -5.668 8.970 0.002 24 HE2 TYR 3 2HE TYR 3 -3.985 5.355 -1.636 25 HH TYR 3 HH TYR 3 -3.666 8.090 -2.246 26 H THR 4 HN THR 4 -8.520 3.301 -2.370 27 HA THR 4 HA THR 4 -9.797 1.022 -1.050 28 HB THR 4 HB THR 4 -10.649 1.625 -3.872 29 HG1 THR 4 1HG THR 4 -11.436 3.400 -2.960 30 1HG2 THR 4 1HG2 THR 4 -11.354 -0.225 -1.674 31 2HG2 THR 4 2HG2 THR 4 -11.491 -0.440 -3.421 32 3HG2 THR 4 3HG2 THR 4 -12.731 0.458 -2.544 33 H ALA 5 HN ALA 5 -7.086 2.026 -2.102 34 HA ALA 5 HA ALA 5 -6.370 0.495 -4.412 35 1HB ALA 5 1HB ALA 5 -5.254 2.508 -3.054 36 2HB ALA 5 2HB ALA 5 -4.296 1.413 -4.053 37 3HB ALA 5 3HB ALA 5 -4.374 1.166 -2.306 38 H LYS 6 HN LYS 6 -6.292 -1.678 -4.456 39 HA LYS 6 HA LYS 6 -5.477 -3.148 -1.974 40 1HB LYS 6 2HB LYS 6 -6.713 -5.057 -3.058 41 2HB LYS 6 1HB LYS 6 -7.737 -3.672 -2.686 42 1HG LYS 6 2HG LYS 6 -8.086 -3.166 -4.888 43 2HG LYS 6 1HG LYS 6 -6.463 -3.658 -5.367 44 1HD LYS 6 2HD LYS 6 -8.217 -5.847 -4.408 45 2HD LYS 6 1HD LYS 6 -8.703 -5.104 -5.932 46 1HE LYS 6 2HE LYS 6 -5.802 -5.679 -5.699 47 2HE LYS 6 1HE LYS 6 -6.860 -7.103 -5.783 48 1HZ LYS 6 1HZ LYS 6 -7.889 -6.286 -7.733 49 2HZ LYS 6 2HZ LYS 6 -6.217 -6.137 -7.992 50 3HZ LYS 6 3HZ LYS 6 -7.136 -4.769 -7.593 51 H TYR 7 HN TYR 7 -3.822 -4.667 -2.157 52 HA TYR 7 HA TYR 7 -2.404 -4.786 -4.799 53 1HB TYR 7 2HB TYR 7 -1.422 -4.389 -1.967 54 2HB TYR 7 1HB TYR 7 -0.336 -4.818 -3.294 55 HD1 TYR 7 1HD TYR 7 0.431 -3.193 -4.792 56 HD2 TYR 7 2HD TYR 7 -2.914 -2.327 -2.256 57 HE1 TYR 7 1HE TYR 7 0.494 -0.834 -5.529 58 HE2 TYR 7 2HE TYR 7 -2.877 0.042 -2.993 59 HH TYR 7 HH TYR 7 -2.014 1.270 -5.154 60 H LYS 8 HN LYS 8 -2.335 -6.367 -1.584 61 HA LYS 8 HA LYS 8 -2.478 -9.028 -2.957 62 1HB LYS 8 2HB LYS 8 -0.489 -7.861 -1.053 63 2HB LYS 8 1HB LYS 8 -0.882 -9.571 -0.866 64 1HG LYS 8 2HG LYS 8 -0.094 -8.336 -3.517 65 2HG LYS 8 1HG LYS 8 1.067 -9.085 -2.421 66 1HD LYS 8 2HD LYS 8 0.324 -11.203 -2.862 67 2HD LYS 8 1HD LYS 8 -1.356 -10.690 -3.029 68 1HE LYS 8 2HE LYS 8 -0.674 -9.597 -5.239 69 2HE LYS 8 1HE LYS 8 0.855 -10.487 -5.091 70 1HZ LYS 8 1HZ LYS 8 -1.863 -11.689 -4.976 71 2HZ LYS 8 2HZ LYS 8 -0.397 -12.536 -4.824 72 3HZ LYS 8 3HZ LYS 8 -0.797 -11.792 -6.296 73 H GLY 9 HN GLY 9 -4.765 -7.908 -1.998 74 1HA GLY 9 2HA GLY 9 -6.579 -8.594 -0.637 75 2HA GLY 9 1HA GLY 9 -5.480 -9.672 0.227 76 H ARG 10 HN ARG 10 -4.763 -6.275 -0.273 77 HA ARG 10 HA ARG 10 -5.492 -5.631 2.551 78 1HB ARG 10 2HB ARG 10 -2.761 -5.228 1.266 79 2HB ARG 10 1HB ARG 10 -3.208 -4.774 2.912 80 1HG ARG 10 2HG ARG 10 -3.757 -7.197 3.356 81 2HG ARG 10 1HG ARG 10 -3.069 -7.580 1.778 82 1HD ARG 10 2HD ARG 10 -0.931 -6.431 2.535 83 2HD ARG 10 1HD ARG 10 -1.635 -6.372 4.162 84 HE ARG 10 HE ARG 10 -2.004 -8.956 3.661 85 1HH1 ARG 10 1HH1 ARG 10 0.067 -8.223 1.367 86 2HH1 ARG 10 2HH1 ARG 10 1.489 -8.933 2.053 87 1HH2 ARG 10 1HH2 ARG 10 0.092 -9.328 5.203 88 2HH2 ARG 10 2HH2 ARG 10 1.504 -9.559 4.227 89 H THR 11 HN THR 11 -7.079 -4.103 1.685 90 HA THR 11 HA THR 11 -6.418 -2.185 -0.350 91 HB THR 11 HB THR 11 -8.469 -2.027 1.881 92 HG1 THR 11 1HG THR 11 -9.643 -3.295 0.679 93 1HG2 THR 11 1HG2 THR 11 -9.291 -0.154 0.889 94 2HG2 THR 11 2HG2 THR 11 -8.983 -0.769 -0.733 95 3HG2 THR 11 3HG2 THR 11 -7.678 -0.010 0.184 96 H PHE 12 HN PHE 12 -5.595 -0.042 -0.103 97 HA PHE 12 HA PHE 12 -4.323 0.499 2.544 98 1HB PHE 12 2HB PHE 12 -3.781 1.266 -0.330 99 2HB PHE 12 1HB PHE 12 -3.008 2.131 1.012 100 HD1 PHE 12 1HD PHE 12 -1.263 1.092 2.331 101 HD2 PHE 12 2HD PHE 12 -3.487 -1.156 -0.580 102 HE1 PHE 12 1HE PHE 12 0.337 -0.797 2.565 103 HE2 PHE 12 2HE PHE 12 -1.909 -3.071 -0.314 104 HZ PHE 12 HZ PHE 12 0.008 -2.875 1.249 105 H ARG 13 HN ARG 13 -5.375 1.927 3.815 106 HA ARG 13 HA ARG 13 -7.101 4.026 2.555 107 1HB ARG 13 2HB ARG 13 -7.637 2.134 4.452 108 2HB ARG 13 1HB ARG 13 -7.181 3.498 5.471 109 1HG ARG 13 2HG ARG 13 -9.149 3.814 3.205 110 2HG ARG 13 1HG ARG 13 -9.668 3.306 4.812 111 1HD ARG 13 2HD ARG 13 -8.639 5.354 5.780 112 2HD ARG 13 1HD ARG 13 -8.188 5.878 4.145 113 HE ARG 13 HE ARG 13 -10.471 6.353 3.713 114 1HH1 ARG 13 1HH2 ARG 13 -10.577 6.798 6.743 115 2HH1 ARG 13 2HH2 ARG 13 -11.997 5.895 7.155 116 1HH2 ARG 13 1HH1 ARG 13 -12.088 4.164 4.150 117 2HH2 ARG 13 2HH1 ARG 13 -12.852 4.401 5.686 118 H ASN 14 HN ASN 14 -4.136 4.179 2.852 119 HA ASN 14 HA ASN 14 -4.001 6.824 4.121 120 1HB ASN 14 2HB ASN 14 -3.620 4.560 5.692 121 2HB ASN 14 1HB ASN 14 -1.975 5.025 5.265 122 1HD2 ASN 14 1HD2 ASN 14 -1.138 7.009 6.128 123 2HD2 ASN 14 2HD2 ASN 14 -1.983 7.933 7.272 124 H GLU 15 HN GLU 15 -2.565 7.997 2.925 125 HA GLU 15 HA GLU 15 -1.114 6.942 0.709 126 1HB GLU 15 2HB GLU 15 -1.850 9.394 1.664 127 2HB GLU 15 1HB GLU 15 -0.118 9.418 1.999 128 1HG GLU 15 2HG GLU 15 0.456 9.375 -0.227 129 2HG GLU 15 1HG GLU 15 -0.961 8.426 -0.681 130 H LYS 16 HN LYS 16 -0.053 7.745 4.013 131 HA LYS 16 HA LYS 16 2.721 7.279 3.662 132 1HB LYS 16 2HB LYS 16 1.430 8.393 5.572 133 2HB LYS 16 1HB LYS 16 1.126 6.761 6.166 134 1HG LYS 16 2HG LYS 16 3.556 6.339 6.262 135 2HG LYS 16 1HG LYS 16 3.862 7.972 5.670 136 1HD LYS 16 2HD LYS 16 4.071 8.199 8.006 137 2HD LYS 16 1HD LYS 16 2.421 8.739 7.692 138 1HE LYS 16 2HE LYS 16 2.049 7.237 9.443 139 2HE LYS 16 1HE LYS 16 1.886 6.143 8.055 140 1HZ LYS 16 1HZ LYS 16 4.458 6.703 9.429 141 2HZ LYS 16 2HZ LYS 16 4.175 5.544 8.225 142 3HZ LYS 16 3HZ LYS 16 3.485 5.351 9.766 143 H GLU 17 HN GLU 17 0.116 5.135 4.623 144 HA GLU 17 HA GLU 17 1.615 2.810 5.286 145 1HB GLU 17 2HB GLU 17 -1.149 3.475 4.382 146 2HB GLU 17 1HB GLU 17 -0.672 1.783 4.291 147 1HG GLU 17 2HG GLU 17 -0.507 3.517 6.770 148 2HG GLU 17 1HG GLU 17 -1.743 2.302 6.441 149 H LEU 18 HN LEU 18 -0.288 3.134 2.303 150 HA LEU 18 HA LEU 18 0.887 1.038 0.890 151 1HB LEU 18 2HB LEU 18 -1.185 2.211 0.289 152 2HB LEU 18 1HB LEU 18 -0.262 3.651 -0.131 153 HG LEU 18 HG LEU 18 0.917 2.366 -1.888 154 1HD1 LEU 18 1HD1 LEU 18 0.581 0.126 -0.705 155 2HD1 LEU 18 2HD1 LEU 18 0.306 0.115 -2.438 156 3HD1 LEU 18 3HD1 LEU 18 -1.063 0.143 -1.328 157 1HD2 LEU 18 1HD2 LEU 18 -1.609 3.414 -1.983 158 2HD2 LEU 18 2HD2 LEU 18 -1.903 1.769 -2.548 159 3HD2 LEU 18 3HD2 LEU 18 -0.742 2.797 -3.389 160 H ARG 19 HN ARG 19 1.902 4.494 0.811 161 HA ARG 19 HA ARG 19 3.920 4.268 -1.161 162 1HB ARG 19 2HB ARG 19 3.547 5.950 1.320 163 2HB ARG 19 1HB ARG 19 4.979 6.151 0.312 164 1HG ARG 19 2HG ARG 19 3.441 6.444 -1.669 165 2HG ARG 19 1HG ARG 19 2.090 6.474 -0.534 166 1HD ARG 19 2HD ARG 19 2.517 8.746 -0.608 167 2HD ARG 19 1HD ARG 19 3.701 8.314 0.642 168 HE ARG 19 HE ARG 19 4.508 8.224 -2.224 169 1HH1 ARG 19 1HH1 ARG 19 6.569 7.766 -0.167 170 2HH1 ARG 19 2HH1 ARG 19 7.268 9.337 0.040 171 1HH2 ARG 19 1HH2 ARG 19 4.631 11.003 -1.473 172 2HH2 ARG 19 2HH2 ARG 19 6.171 11.170 -0.697 173 H ASP 20 HN ASP 20 3.948 3.340 2.248 174 HA ASP 20 HA ASP 20 6.804 2.709 2.352 175 1HB ASP 20 2HB ASP 20 4.374 2.546 4.061 176 2HB ASP 20 1HB ASP 20 5.608 1.329 4.393 177 H PHE 21 HN PHE 21 3.753 0.987 1.885 178 HA PHE 21 HA PHE 21 4.713 -1.719 1.689 179 1HB PHE 21 2HB PHE 21 2.364 -1.155 1.909 180 2HB PHE 21 1HB PHE 21 2.390 -0.199 0.444 181 HD1 PHE 21 1HD PHE 21 2.097 -1.198 -1.707 182 HD2 PHE 21 2HD PHE 21 2.857 -3.597 1.773 183 HE1 PHE 21 1HE PHE 21 1.611 -3.260 -3.015 184 HE2 PHE 21 2HE PHE 21 2.355 -5.663 0.471 185 HZ PHE 21 HZ PHE 21 1.736 -5.488 -1.927 186 H ILE 22 HN ILE 22 3.698 0.473 -0.869 187 HA ILE 22 HA ILE 22 4.526 -0.807 -3.192 188 HB ILE 22 HB ILE 22 4.613 2.137 -2.435 189 1HG1 ILE 22 2HG1 ILE 22 2.411 0.970 -2.117 190 2HG1 ILE 22 1HG1 ILE 22 2.351 2.203 -3.370 191 1HG2 ILE 22 1HG2 ILE 22 4.439 2.600 -4.826 192 2HG2 ILE 22 2HG2 ILE 22 4.425 0.872 -5.179 193 3HG2 ILE 22 3HG2 ILE 22 5.879 1.626 -4.525 194 1HD1 ILE 22 1HD1 ILE 22 1.802 -0.608 -3.564 195 2HD1 ILE 22 2HD1 ILE 22 3.136 -0.200 -4.638 196 3HD1 ILE 22 3HD1 ILE 22 1.598 0.646 -4.785 197 H GLU 23 HN GLU 23 6.475 0.967 -0.858 198 HA GLU 23 HA GLU 23 8.911 1.020 -2.487 199 1HB GLU 23 2HB GLU 23 8.288 2.717 -0.771 200 2HB GLU 23 1HB GLU 23 8.429 1.478 0.476 201 1HG GLU 23 2HG GLU 23 10.508 2.706 0.433 202 2HG GLU 23 1HG GLU 23 10.812 1.116 -0.268 203 H LYS 24 HN LYS 24 7.550 -1.019 0.069 204 HA LYS 24 HA LYS 24 9.979 -2.567 0.512 205 1HB LYS 24 2HB LYS 24 7.779 -2.144 1.939 206 2HB LYS 24 1HB LYS 24 7.207 -3.572 1.078 207 1HG LYS 24 2HG LYS 24 8.931 -4.935 1.959 208 2HG LYS 24 1HG LYS 24 9.889 -3.541 2.461 209 1HD LYS 24 2HD LYS 24 7.152 -4.116 3.610 210 2HD LYS 24 1HD LYS 24 8.627 -4.770 4.320 211 1HE LYS 24 2HE LYS 24 8.897 -2.814 5.435 212 2HE LYS 24 1HE LYS 24 9.101 -1.991 3.877 213 1HZ LYS 24 1HZ LYS 24 6.742 -1.766 3.665 214 2HZ LYS 24 2HZ LYS 24 7.187 -1.151 5.185 215 3HZ LYS 24 3HZ LYS 24 6.468 -2.684 5.068 216 H PHE 25 HN PHE 25 6.839 -3.414 -1.000 217 HA PHE 25 HA PHE 25 7.974 -5.759 -2.287 218 1HB PHE 25 2HB PHE 25 5.678 -5.662 -1.386 219 2HB PHE 25 1HB PHE 25 5.288 -4.375 -2.527 220 HD1 PHE 25 1HD PHE 25 3.921 -5.144 -4.225 221 HD2 PHE 25 2HD PHE 25 7.112 -7.650 -2.825 222 HE1 PHE 25 1HE PHE 25 3.357 -6.827 -5.958 223 HE2 PHE 25 2HE PHE 25 6.552 -9.334 -4.558 224 HZ PHE 25 HZ PHE 25 4.673 -8.923 -6.124 225 H LYS 26 HN LYS 26 9.572 -3.889 -3.266 226 HA LYS 26 HA LYS 26 8.592 -2.455 -5.589 227 1HB LYS 26 2HB LYS 26 11.217 -3.114 -4.311 228 2HB LYS 26 1HB LYS 26 11.213 -2.416 -5.930 229 1HG LYS 26 2HG LYS 26 9.502 -1.132 -3.838 230 2HG LYS 26 1HG LYS 26 11.244 -0.857 -3.775 231 1HD LYS 26 2HD LYS 26 9.978 -0.592 -6.450 232 2HD LYS 26 1HD LYS 26 9.574 0.657 -5.271 233 1HE LYS 26 2HE LYS 26 11.674 1.555 -5.333 234 2HE LYS 26 1HE LYS 26 12.450 -0.041 -5.375 235 1HZ LYS 26 1HZ LYS 26 11.722 -0.286 -7.676 236 2HZ LYS 26 2HZ LYS 26 12.713 1.083 -7.498 237 3HZ LYS 26 3HZ LYS 26 11.029 1.261 -7.639 238 H GLY 27 HN GLY 27 9.581 -5.706 -5.061 239 1HA GLY 27 2HA GLY 27 10.757 -6.508 -7.464 240 2HA GLY 27 1HA GLY 27 9.685 -7.543 -6.523 241 H ARG 28 HN ARG 28 7.280 -7.128 -6.895 242 HA ARG 28 HA ARG 28 6.772 -7.053 -9.796 243 1HB ARG 28 2HB ARG 28 5.820 -8.549 -7.797 244 2HB ARG 28 1HB ARG 28 4.633 -7.247 -7.714 245 1HG ARG 28 2HG ARG 28 5.271 -8.354 -10.410 246 2HG ARG 28 1HG ARG 28 4.290 -9.348 -9.331 247 1HD ARG 28 2HD ARG 28 2.823 -7.277 -8.973 248 2HD ARG 28 1HD ARG 28 3.679 -6.563 -10.355 249 HE ARG 28 HE ARG 28 2.103 -9.105 -10.488 250 1HH1 ARG 28 1HH2 ARG 28 4.333 -8.564 -12.522 251 2HH1 ARG 28 2HH2 ARG 28 3.420 -7.894 -13.834 252 1HH2 ARG 28 1HH1 ARG 28 0.603 -7.281 -11.908 253 2HH2 ARG 28 2HH1 ARG 28 1.308 -7.167 -13.485 Start of MODEL 26 1 1H GLU 1 1HT GLU 1 -14.305 10.042 2.888 2 2H GLU 1 2HT GLU 1 -13.387 10.395 4.274 3 3H GLU 1 3HT GLU 1 -14.837 9.520 4.411 4 HA GLU 1 HA GLU 1 -12.833 8.089 4.584 5 1HB GLU 1 2HB GLU 1 -15.031 7.916 2.561 6 2HB GLU 1 1HB GLU 1 -13.797 6.656 2.544 7 1HG GLU 1 2HG GLU 1 -15.342 7.485 5.016 8 2HG GLU 1 1HG GLU 1 -15.757 6.100 4.006 9 H GLN 2 HN GLN 2 -11.467 6.745 2.899 10 HA GLN 2 HA GLN 2 -10.292 8.612 0.863 11 1HB GLN 2 2HB GLN 2 -9.159 7.884 3.238 12 2HB GLN 2 1HB GLN 2 -8.548 6.609 2.183 13 1HG GLN 2 2HG GLN 2 -7.309 8.069 0.902 14 2HG GLN 2 1HG GLN 2 -8.434 9.404 1.149 15 1HE2 GLN 2 1HE2 GLN 2 -5.561 9.648 1.516 16 2HE2 GLN 2 2HE2 GLN 2 -5.283 9.981 3.158 17 H TYR 3 HN TYR 3 -8.779 7.193 -0.653 18 HA TYR 3 HA TYR 3 -10.351 5.423 -2.156 19 1HB TYR 3 2HB TYR 3 -8.127 4.744 -3.137 20 2HB TYR 3 1HB TYR 3 -8.423 6.480 -3.074 21 HD1 TYR 3 1HD TYR 3 -6.796 7.846 -2.238 22 HD2 TYR 3 2HD TYR 3 -6.922 3.753 -0.916 23 HE1 TYR 3 1HE TYR 3 -4.747 8.207 -0.916 24 HE2 TYR 3 2HE TYR 3 -4.874 4.128 0.397 25 HH TYR 3 HH TYR 3 -3.626 7.214 1.051 26 H THR 4 HN THR 4 -9.719 3.082 -2.629 27 HA THR 4 HA THR 4 -9.142 1.604 -0.087 28 HB THR 4 HB THR 4 -10.835 -0.070 -1.268 29 HG1 THR 4 1HG THR 4 -11.932 0.778 -2.829 30 1HG2 THR 4 1HG2 THR 4 -11.151 1.026 0.924 31 2HG2 THR 4 2HG2 THR 4 -12.657 0.970 0.006 32 3HG2 THR 4 3HG2 THR 4 -11.741 2.474 0.107 33 H ALA 5 HN ALA 5 -7.242 2.256 -2.163 34 HA ALA 5 HA ALA 5 -6.754 0.406 -4.194 35 1HB ALA 5 1HB ALA 5 -5.453 2.492 -3.184 36 2HB ALA 5 2HB ALA 5 -4.593 1.263 -4.117 37 3HB ALA 5 3HB ALA 5 -4.539 1.225 -2.350 38 H LYS 6 HN LYS 6 -6.370 -1.815 -4.161 39 HA LYS 6 HA LYS 6 -5.499 -2.992 -1.545 40 1HB LYS 6 2HB LYS 6 -7.099 -4.435 -3.660 41 2HB LYS 6 1HB LYS 6 -6.879 -4.866 -1.967 42 1HG LYS 6 2HG LYS 6 -8.136 -2.812 -1.311 43 2HG LYS 6 1HG LYS 6 -8.439 -2.492 -3.019 44 1HD LYS 6 2HD LYS 6 -9.203 -5.104 -1.701 45 2HD LYS 6 1HD LYS 6 -10.298 -3.724 -1.775 46 1HE LYS 6 2HE LYS 6 -10.005 -3.702 -4.280 47 2HE LYS 6 1HE LYS 6 -9.091 -5.216 -4.127 48 1HZ LYS 6 1HZ LYS 6 -11.875 -4.721 -3.218 49 2HZ LYS 6 2HZ LYS 6 -10.993 -6.126 -2.862 50 3HZ LYS 6 3HZ LYS 6 -11.386 -5.756 -4.473 51 H TYR 7 HN TYR 7 -3.826 -4.409 -1.553 52 HA TYR 7 HA TYR 7 -2.526 -5.020 -4.188 53 1HB TYR 7 2HB TYR 7 -1.364 -4.165 -1.531 54 2HB TYR 7 1HB TYR 7 -0.394 -4.721 -2.891 55 HD1 TYR 7 1HD TYR 7 0.234 -3.256 -4.567 56 HD2 TYR 7 2HD TYR 7 -3.015 -2.234 -1.986 57 HE1 TYR 7 1HE TYR 7 0.174 -0.987 -5.557 58 HE2 TYR 7 2HE TYR 7 -3.114 0.034 -2.964 59 HH TYR 7 HH TYR 7 -0.633 1.269 -4.960 60 H LYS 8 HN LYS 8 -2.493 -7.223 -4.449 61 HA LYS 8 HA LYS 8 -2.479 -9.539 -3.928 62 1HB LYS 8 2HB LYS 8 -0.216 -8.486 -3.158 63 2HB LYS 8 1HB LYS 8 -0.848 -8.724 -1.528 64 1HG LYS 8 2HG LYS 8 0.170 -10.769 -1.799 65 2HG LYS 8 1HG LYS 8 -1.390 -11.153 -2.527 66 1HD LYS 8 2HD LYS 8 0.027 -11.866 -4.216 67 2HD LYS 8 1HD LYS 8 -0.231 -10.192 -4.711 68 1HE LYS 8 2HE LYS 8 1.883 -9.920 -2.967 69 2HE LYS 8 1HE LYS 8 2.231 -11.486 -3.727 70 1HZ LYS 8 1HZ LYS 8 1.628 -8.926 -5.108 71 2HZ LYS 8 2HZ LYS 8 1.727 -10.428 -5.895 72 3HZ LYS 8 3HZ LYS 8 3.097 -9.773 -5.133 73 H GLY 9 HN GLY 9 -4.544 -7.726 -2.551 74 1HA GLY 9 2HA GLY 9 -6.433 -8.487 -1.263 75 2HA GLY 9 1HA GLY 9 -5.410 -9.730 -0.544 76 H ARG 10 HN ARG 10 -4.658 -6.266 -0.810 77 HA ARG 10 HA ARG 10 -5.017 -5.954 2.143 78 1HB ARG 10 2HB ARG 10 -2.501 -5.333 0.551 79 2HB ARG 10 1HB ARG 10 -2.725 -5.022 2.272 80 1HG ARG 10 2HG ARG 10 -3.087 -7.456 2.645 81 2HG ARG 10 1HG ARG 10 -2.775 -7.744 0.934 82 1HD ARG 10 2HD ARG 10 -0.551 -7.799 1.354 83 2HD ARG 10 1HD ARG 10 -0.625 -6.140 1.976 84 HE ARG 10 HE ARG 10 -0.647 -8.574 3.599 85 1HH1 ARG 10 1HH2 ARG 10 -0.065 -5.333 3.708 86 2HH1 ARG 10 2HH2 ARG 10 -0.810 -5.041 5.244 87 1HH2 ARG 10 1HH1 ARG 10 -2.268 -8.181 5.433 88 2HH2 ARG 10 2HH1 ARG 10 -2.057 -6.653 6.221 89 H THR 11 HN THR 11 -6.699 -4.388 1.810 90 HA THR 11 HA THR 11 -6.585 -2.298 -0.142 91 HB THR 11 HB THR 11 -8.039 -2.357 2.514 92 HG1 THR 11 1HG THR 11 -9.135 -3.897 1.638 93 1HG2 THR 11 1HG2 THR 11 -8.451 -0.225 1.759 94 2HG2 THR 11 2HG2 THR 11 -9.671 -1.070 0.805 95 3HG2 THR 11 3HG2 THR 11 -8.121 -0.644 0.078 96 H PHE 12 HN PHE 12 -6.306 0.057 0.341 97 HA PHE 12 HA PHE 12 -4.476 0.588 2.649 98 1HB PHE 12 2HB PHE 12 -4.248 1.228 -0.294 99 2HB PHE 12 1HB PHE 12 -3.455 2.269 0.906 100 HD1 PHE 12 1HD PHE 12 -1.604 1.428 2.284 101 HD2 PHE 12 2HD PHE 12 -3.674 -1.065 -0.534 102 HE1 PHE 12 1HE PHE 12 0.194 -0.283 2.483 103 HE2 PHE 12 2HE PHE 12 -1.890 -2.788 -0.316 104 HZ PHE 12 HZ PHE 12 0.043 -2.393 1.188 105 H ARG 13 HN ARG 13 -5.309 2.118 3.952 106 HA ARG 13 HA ARG 13 -7.204 4.139 2.797 107 1HB ARG 13 2HB ARG 13 -8.181 4.134 5.100 108 2HB ARG 13 1HB ARG 13 -8.248 2.543 4.345 109 1HG ARG 13 2HG ARG 13 -6.663 1.648 5.763 110 2HG ARG 13 1HG ARG 13 -5.832 3.189 5.980 111 1HD ARG 13 2HD ARG 13 -7.484 3.978 7.524 112 2HD ARG 13 1HD ARG 13 -8.598 2.659 7.108 113 HE ARG 13 HE ARG 13 -5.949 2.174 8.425 114 1HH1 ARG 13 1HH2 ARG 13 -8.264 0.311 7.126 115 2HH1 ARG 13 2HH2 ARG 13 -8.793 -0.454 8.587 116 1HH2 ARG 13 1HH1 ARG 13 -7.067 1.719 10.665 117 2HH2 ARG 13 2HH1 ARG 13 -8.116 0.342 10.590 118 H ASN 14 HN ASN 14 -4.317 4.385 2.833 119 HA ASN 14 HA ASN 14 -4.036 6.989 4.095 120 1HB ASN 14 2HB ASN 14 -3.749 4.805 5.775 121 2HB ASN 14 1HB ASN 14 -2.082 5.136 5.304 122 1HD2 ASN 14 1HD2 ASN 14 -1.110 7.119 6.046 123 2HD2 ASN 14 2HD2 ASN 14 -1.884 8.156 7.146 124 H GLU 15 HN GLU 15 -2.358 8.067 3.074 125 HA GLU 15 HA GLU 15 -1.026 6.845 0.819 126 1HB GLU 15 2HB GLU 15 -1.679 9.354 1.600 127 2HB GLU 15 1HB GLU 15 0.031 9.344 2.040 128 1HG GLU 15 2HG GLU 15 0.733 9.205 -0.138 129 2HG GLU 15 1HG GLU 15 -0.648 8.223 -0.628 130 H LYS 16 HN LYS 16 0.088 7.783 4.081 131 HA LYS 16 HA LYS 16 2.832 7.245 3.817 132 1HB LYS 16 2HB LYS 16 0.892 6.963 6.111 133 2HB LYS 16 1HB LYS 16 2.637 6.816 6.321 134 1HG LYS 16 2HG LYS 16 2.550 9.131 4.926 135 2HG LYS 16 1HG LYS 16 0.997 9.229 5.758 136 1HD LYS 16 2HD LYS 16 2.002 9.144 7.895 137 2HD LYS 16 1HD LYS 16 3.523 8.527 7.250 138 1HE LYS 16 2HE LYS 16 3.874 10.868 7.757 139 2HE LYS 16 1HE LYS 16 3.736 10.750 5.991 140 1HZ LYS 16 1HZ LYS 16 1.433 11.252 7.798 141 2HZ LYS 16 2HZ LYS 16 1.441 11.324 6.103 142 3HZ LYS 16 3HZ LYS 16 2.290 12.488 7.004 143 H GLU 17 HN GLU 17 0.211 5.069 4.652 144 HA GLU 17 HA GLU 17 1.731 2.705 5.187 145 1HB GLU 17 2HB GLU 17 -1.065 3.242 4.154 146 2HB GLU 17 1HB GLU 17 -0.501 1.617 4.533 147 1HG GLU 17 2HG GLU 17 -0.516 3.939 6.476 148 2HG GLU 17 1HG GLU 17 -1.723 2.655 6.420 149 H LEU 18 HN LEU 18 -0.232 3.334 2.299 150 HA LEU 18 HA LEU 18 0.751 1.275 0.688 151 1HB LEU 18 2HB LEU 18 -1.250 2.778 0.365 152 2HB LEU 18 1HB LEU 18 -0.144 4.015 -0.232 153 HG LEU 18 HG LEU 18 0.666 2.340 -1.936 154 1HD1 LEU 18 1HD1 LEU 18 -0.438 0.431 -0.463 155 2HD1 LEU 18 2HD1 LEU 18 -0.371 0.277 -2.209 156 3HD1 LEU 18 3HD1 LEU 18 -1.858 0.809 -1.425 157 1HD2 LEU 18 1HD2 LEU 18 -2.268 3.109 -1.939 158 2HD2 LEU 18 2HD2 LEU 18 -1.380 2.561 -3.360 159 3HD2 LEU 18 3HD2 LEU 18 -0.931 4.071 -2.569 160 H ARG 19 HN ARG 19 1.881 4.704 0.568 161 HA ARG 19 HA ARG 19 3.861 4.362 -1.414 162 1HB ARG 19 2HB ARG 19 3.721 6.111 1.065 163 2HB ARG 19 1HB ARG 19 4.966 6.307 -0.168 164 1HG ARG 19 2HG ARG 19 2.745 6.239 -1.736 165 2HG ARG 19 1HG ARG 19 2.079 6.973 -0.277 166 1HD ARG 19 2HD ARG 19 3.383 8.881 -0.476 167 2HD ARG 19 1HD ARG 19 4.697 8.019 -1.302 168 HE ARG 19 HE ARG 19 2.099 8.752 -2.596 169 1HH1 ARG 19 1HH1 ARG 19 4.126 6.462 -3.459 170 2HH1 ARG 19 2HH1 ARG 19 4.856 7.250 -4.817 171 1HH2 ARG 19 1HH2 ARG 19 3.596 10.380 -4.017 172 2HH2 ARG 19 2HH2 ARG 19 4.556 9.467 -5.133 173 H ASP 20 HN ASP 20 3.968 3.549 2.029 174 HA ASP 20 HA ASP 20 6.814 2.880 2.083 175 1HB ASP 20 2HB ASP 20 4.425 2.804 3.837 176 2HB ASP 20 1HB ASP 20 5.606 1.533 4.159 177 H PHE 21 HN PHE 21 3.745 1.189 1.660 178 HA PHE 21 HA PHE 21 4.712 -1.530 1.515 179 1HB PHE 21 2HB PHE 21 2.370 -0.978 1.828 180 2HB PHE 21 1HB PHE 21 2.321 -0.062 0.336 181 HD1 PHE 21 1HD PHE 21 1.998 -1.131 -1.792 182 HD2 PHE 21 2HD PHE 21 2.864 -3.408 1.750 183 HE1 PHE 21 1HE PHE 21 1.518 -3.248 -3.016 184 HE2 PHE 21 2HE PHE 21 2.379 -5.522 0.526 185 HZ PHE 21 HZ PHE 21 1.705 -5.434 -1.862 186 H ILE 22 HN ILE 22 3.576 0.608 -1.036 187 HA ILE 22 HA ILE 22 4.253 -0.725 -3.369 188 HB ILE 22 HB ILE 22 4.434 2.229 -2.682 189 1HG1 ILE 22 2HG1 ILE 22 2.243 1.079 -2.219 190 2HG1 ILE 22 1HG1 ILE 22 2.120 2.308 -3.474 191 1HG2 ILE 22 1HG2 ILE 22 4.122 2.640 -5.077 192 2HG2 ILE 22 2HG2 ILE 22 4.097 0.904 -5.386 193 3HG2 ILE 22 3HG2 ILE 22 5.578 1.679 -4.825 194 1HD1 ILE 22 1HD1 ILE 22 1.512 -0.486 -3.614 195 2HD1 ILE 22 2HD1 ILE 22 2.808 -0.131 -4.753 196 3HD1 ILE 22 3HD1 ILE 22 1.285 0.751 -4.848 197 H GLU 23 HN GLU 23 6.380 1.044 -1.200 198 HA GLU 23 HA GLU 23 8.725 0.724 -2.999 199 1HB GLU 23 2HB GLU 23 8.121 2.110 -0.380 200 2HB GLU 23 1HB GLU 23 9.778 1.957 -0.969 201 1HG GLU 23 2HG GLU 23 7.539 3.116 -2.644 202 2HG GLU 23 1HG GLU 23 8.592 4.106 -1.632 203 H LYS 24 HN LYS 24 7.347 -0.566 -0.020 204 HA LYS 24 HA LYS 24 9.700 -2.070 0.802 205 1HB LYS 24 2HB LYS 24 7.866 -1.327 2.309 206 2HB LYS 24 1HB LYS 24 6.750 -2.392 1.452 207 1HG LYS 24 2HG LYS 24 8.772 -4.135 2.052 208 2HG LYS 24 1HG LYS 24 8.833 -3.055 3.445 209 1HD LYS 24 2HD LYS 24 6.119 -3.913 2.604 210 2HD LYS 24 1HD LYS 24 7.148 -5.179 3.276 211 1HE LYS 24 2HE LYS 24 7.614 -3.146 5.052 212 2HE LYS 24 1HE LYS 24 5.915 -2.858 4.629 213 1HZ LYS 24 1HZ LYS 24 5.502 -5.243 4.967 214 2HZ LYS 24 2HZ LYS 24 6.024 -4.481 6.388 215 3HZ LYS 24 3HZ LYS 24 7.104 -5.440 5.495 216 H PHE 25 HN PHE 25 6.852 -2.708 -1.192 217 HA PHE 25 HA PHE 25 6.851 -5.479 -1.432 218 1HB PHE 25 2HB PHE 25 5.152 -4.118 -2.420 219 2HB PHE 25 1HB PHE 25 6.327 -3.241 -3.394 220 HD1 PHE 25 1HD PHE 25 6.120 -3.701 -5.640 221 HD2 PHE 25 2HD PHE 25 5.573 -6.890 -2.818 222 HE1 PHE 25 1HE PHE 25 5.811 -5.290 -7.512 223 HE2 PHE 25 2HE PHE 25 5.255 -8.489 -4.691 224 HZ PHE 25 HZ PHE 25 5.372 -7.690 -7.038 225 H LYS 26 HN LYS 26 8.025 -4.063 -4.393 226 HA LYS 26 HA LYS 26 10.704 -5.250 -4.139 227 1HB LYS 26 2HB LYS 26 8.494 -6.072 -6.017 228 2HB LYS 26 1HB LYS 26 10.172 -6.578 -6.234 229 1HG LYS 26 2HG LYS 26 10.022 -7.435 -3.807 230 2HG LYS 26 1HG LYS 26 8.277 -7.240 -3.986 231 1HD LYS 26 2HD LYS 26 8.135 -8.873 -5.669 232 2HD LYS 26 1HD LYS 26 9.854 -8.764 -6.050 233 1HE LYS 26 2HE LYS 26 9.190 -9.590 -3.267 234 2HE LYS 26 1HE LYS 26 8.845 -10.771 -4.547 235 1HZ LYS 26 1HZ LYS 26 11.171 -10.860 -3.717 236 2HZ LYS 26 2HZ LYS 26 11.405 -9.285 -4.301 237 3HZ LYS 26 3HZ LYS 26 11.055 -10.547 -5.384 238 H GLY 27 HN GLY 27 8.582 -4.291 -6.784 239 1HA GLY 27 2HA GLY 27 8.661 -2.313 -8.113 240 2HA GLY 27 1HA GLY 27 10.192 -1.884 -7.347 241 H ARG 28 HN ARG 28 11.708 -4.161 -7.760 242 HA ARG 28 HA ARG 28 12.428 -3.913 -10.569 243 1HB ARG 28 2HB ARG 28 14.002 -4.268 -8.656 244 2HB ARG 28 1HB ARG 28 13.324 -5.882 -8.436 245 1HG ARG 28 2HG ARG 28 14.104 -6.608 -10.575 246 2HG ARG 28 1HG ARG 28 14.494 -4.961 -11.069 247 1HD ARG 28 2HD ARG 28 15.861 -5.754 -8.586 248 2HD ARG 28 1HD ARG 28 16.309 -6.749 -9.985 249 HE ARG 28 HE ARG 28 16.671 -4.525 -11.202 250 1HH1 ARG 28 1HH1 ARG 28 18.837 -5.174 -9.175 251 2HH1 ARG 28 2HH1 ARG 28 18.988 -3.664 -8.342 252 1HH2 ARG 28 1HH2 ARG 28 15.980 -2.408 -9.526 253 2HH2 ARG 28 2HH2 ARG 28 17.370 -2.097 -8.540 Start of MODEL 27 1 1H GLU 1 1HT GLU 1 -18.171 6.710 0.215 2 2H GLU 1 2HT GLU 1 -17.325 8.178 0.336 3 3H GLU 1 3HT GLU 1 -16.663 6.757 0.992 4 HA GLU 1 HA GLU 1 -16.544 5.807 -1.285 5 1HB GLU 1 2HB GLU 1 -18.437 7.485 -1.898 6 2HB GLU 1 1HB GLU 1 -17.127 8.640 -2.148 7 1HG GLU 1 2HG GLU 1 -16.306 7.523 -3.989 8 2HG GLU 1 1HG GLU 1 -16.844 5.948 -3.405 9 H GLN 2 HN GLN 2 -14.360 5.616 -0.703 10 HA GLN 2 HA GLN 2 -12.569 7.792 -1.552 11 1HB GLN 2 2HB GLN 2 -13.484 7.947 0.979 12 2HB GLN 2 1HB GLN 2 -12.124 6.855 1.242 13 1HG GLN 2 2HG GLN 2 -11.005 8.872 1.450 14 2HG GLN 2 1HG GLN 2 -10.866 8.668 -0.296 15 1HE2 GLN 2 1HE2 GLN 2 -12.289 9.966 -1.676 16 2HE2 GLN 2 2HE2 GLN 2 -13.107 11.321 -1.063 17 H TYR 3 HN TYR 3 -10.343 6.782 -0.109 18 HA TYR 3 HA TYR 3 -8.906 5.183 -1.636 19 1HB TYR 3 2HB TYR 3 -9.213 5.547 1.263 20 2HB TYR 3 1HB TYR 3 -8.336 4.081 0.819 21 HD1 TYR 3 1HD TYR 3 -8.325 7.716 0.820 22 HD2 TYR 3 2HD TYR 3 -6.331 4.191 -0.583 23 HE1 TYR 3 1HE TYR 3 -6.359 9.079 0.239 24 HE2 TYR 3 2HE TYR 3 -4.342 5.535 -1.173 25 HH TYR 3 HH TYR 3 -3.865 8.687 -0.061 26 H THR 4 HN THR 4 -8.700 3.212 -2.373 27 HA THR 4 HA THR 4 -9.890 0.871 -1.093 28 HB THR 4 HB THR 4 -10.702 1.418 -3.941 29 HG1 THR 4 1HG THR 4 -12.119 2.188 -1.609 30 1HG2 THR 4 1HG2 THR 4 -11.353 -0.477 -1.753 31 2HG2 THR 4 2HG2 THR 4 -11.357 -0.724 -3.502 32 3HG2 THR 4 3HG2 THR 4 -12.723 0.074 -2.723 33 H ALA 5 HN ALA 5 -7.217 2.033 -2.063 34 HA ALA 5 HA ALA 5 -6.316 0.596 -4.360 35 1HB ALA 5 1HB ALA 5 -5.364 2.549 -2.690 36 2HB ALA 5 2HB ALA 5 -4.385 1.709 -3.895 37 3HB ALA 5 3HB ALA 5 -4.368 1.162 -2.212 38 H LYS 6 HN LYS 6 -5.863 -1.569 -4.517 39 HA LYS 6 HA LYS 6 -5.224 -3.038 -1.984 40 1HB LYS 6 2HB LYS 6 -6.218 -5.019 -3.187 41 2HB LYS 6 1HB LYS 6 -7.372 -3.739 -2.817 42 1HG LYS 6 2HG LYS 6 -7.670 -3.186 -5.011 43 2HG LYS 6 1HG LYS 6 -5.993 -3.526 -5.435 44 1HD LYS 6 2HD LYS 6 -6.410 -5.740 -5.877 45 2HD LYS 6 1HD LYS 6 -7.655 -5.859 -4.633 46 1HE LYS 6 2HE LYS 6 -8.324 -4.072 -6.905 47 2HE LYS 6 1HE LYS 6 -8.231 -5.802 -7.291 48 1HZ LYS 6 1HZ LYS 6 -9.665 -4.737 -4.922 49 2HZ LYS 6 2HZ LYS 6 -9.713 -6.318 -5.532 50 3HZ LYS 6 3HZ LYS 6 -10.433 -5.051 -6.404 51 H TYR 7 HN TYR 7 -3.407 -4.302 -2.026 52 HA TYR 7 HA TYR 7 -1.843 -4.359 -4.585 53 1HB TYR 7 2HB TYR 7 -1.072 -3.751 -1.729 54 2HB TYR 7 1HB TYR 7 0.129 -4.187 -2.940 55 HD1 TYR 7 1HD TYR 7 0.990 -2.571 -4.349 56 HD2 TYR 7 2HD TYR 7 -2.745 -1.895 -2.365 57 HE1 TYR 7 1HE TYR 7 0.969 -0.257 -5.200 58 HE2 TYR 7 2HE TYR 7 -2.788 0.433 -3.200 59 HH TYR 7 HH TYR 7 -1.433 1.548 -5.563 60 H LYS 8 HN LYS 8 -2.637 -6.040 -1.565 61 HA LYS 8 HA LYS 8 -2.032 -8.638 -2.838 62 1HB LYS 8 2HB LYS 8 0.070 -7.611 -1.767 63 2HB LYS 8 1HB LYS 8 -0.737 -7.848 -0.217 64 1HG LYS 8 2HG LYS 8 0.402 -9.856 -0.373 65 2HG LYS 8 1HG LYS 8 -1.105 -10.301 -1.178 66 1HD LYS 8 2HD LYS 8 0.060 -9.495 -3.350 67 2HD LYS 8 1HD LYS 8 1.555 -9.614 -2.421 68 1HE LYS 8 2HE LYS 8 1.459 -11.922 -2.303 69 2HE LYS 8 1HE LYS 8 -0.316 -11.950 -2.329 70 1HZ LYS 8 1HZ LYS 8 -0.206 -11.122 -4.638 71 2HZ LYS 8 2HZ LYS 8 0.489 -12.662 -4.461 72 3HZ LYS 8 3HZ LYS 8 1.484 -11.296 -4.602 73 H GLY 9 HN GLY 9 -4.540 -7.914 -2.271 74 1HA GLY 9 2HA GLY 9 -6.445 -8.664 -1.110 75 2HA GLY 9 1HA GLY 9 -5.388 -9.741 -0.190 76 H ARG 10 HN ARG 10 -4.831 -6.285 -0.402 77 HA ARG 10 HA ARG 10 -5.938 -5.832 2.328 78 1HB ARG 10 2HB ARG 10 -3.058 -5.345 1.474 79 2HB ARG 10 1HB ARG 10 -3.740 -4.961 3.056 80 1HG ARG 10 2HG ARG 10 -4.308 -7.404 3.325 81 2HG ARG 10 1HG ARG 10 -3.405 -7.718 1.844 82 1HD ARG 10 2HD ARG 10 -1.347 -7.141 2.819 83 2HD ARG 10 1HD ARG 10 -2.117 -6.192 4.107 84 HE ARG 10 HE ARG 10 -2.417 -9.168 3.938 85 1HH1 ARG 10 1HH2 ARG 10 -3.539 -6.751 5.810 86 2HH1 ARG 10 2HH2 ARG 10 -2.791 -7.247 7.292 87 1HH2 ARG 10 1HH1 ARG 10 -0.736 -9.593 5.776 88 2HH2 ARG 10 2HH1 ARG 10 -1.203 -8.856 7.273 89 H THR 11 HN THR 11 -7.295 -4.079 1.761 90 HA THR 11 HA THR 11 -6.618 -2.185 -0.301 91 HB THR 11 HB THR 11 -8.574 -2.029 2.017 92 HG1 THR 11 1HG THR 11 -9.390 -3.562 0.817 93 1HG2 THR 11 1HG2 THR 11 -9.716 -0.368 0.470 94 2HG2 THR 11 2HG2 THR 11 -8.224 -0.348 -0.471 95 3HG2 THR 11 3HG2 THR 11 -8.215 0.199 1.205 96 H PHE 12 HN PHE 12 -5.657 -0.087 -0.051 97 HA PHE 12 HA PHE 12 -4.264 0.354 2.554 98 1HB PHE 12 2HB PHE 12 -3.755 1.148 -0.326 99 2HB PHE 12 1HB PHE 12 -2.882 1.914 1.019 100 HD1 PHE 12 1HD PHE 12 -1.086 0.779 2.099 101 HD2 PHE 12 2HD PHE 12 -3.775 -1.330 -0.478 102 HE1 PHE 12 1HE PHE 12 0.387 -1.221 2.223 103 HE2 PHE 12 2HE PHE 12 -2.343 -3.369 -0.316 104 HZ PHE 12 HZ PHE 12 -0.252 -3.301 1.023 105 H ARG 13 HN ARG 13 -5.602 1.565 3.804 106 HA ARG 13 HA ARG 13 -7.073 3.873 2.624 107 1HB ARG 13 2HB ARG 13 -7.858 1.940 4.309 108 2HB ARG 13 1HB ARG 13 -7.230 3.077 5.502 109 1HG ARG 13 2HG ARG 13 -8.762 4.756 4.896 110 2HG ARG 13 1HG ARG 13 -9.094 4.015 3.330 111 1HD ARG 13 2HD ARG 13 -10.589 2.492 4.213 112 2HD ARG 13 1HD ARG 13 -9.737 2.405 5.768 113 HE ARG 13 HE ARG 13 -11.613 4.565 4.954 114 1HH1 ARG 13 1HH1 ARG 13 -11.512 2.636 7.445 115 2HH1 ARG 13 2HH1 ARG 13 -11.154 3.795 8.681 116 1HH2 ARG 13 1HH2 ARG 13 -10.256 6.294 6.451 117 2HH2 ARG 13 2HH2 ARG 13 -10.444 5.865 8.119 118 H ASN 14 HN ASN 14 -4.115 3.864 3.054 119 HA ASN 14 HA ASN 14 -3.947 6.392 4.582 120 1HB ASN 14 2HB ASN 14 -3.655 4.742 6.304 121 2HB ASN 14 1HB ASN 14 -2.575 3.780 5.298 122 1HD2 ASN 14 1HD2 ASN 14 -2.761 7.181 6.435 123 2HD2 ASN 14 2HD2 ASN 14 -1.125 7.293 6.873 124 H GLU 15 HN GLU 15 -2.853 7.691 3.191 125 HA GLU 15 HA GLU 15 -1.403 6.884 0.894 126 1HB GLU 15 2HB GLU 15 -2.359 9.181 1.826 127 2HB GLU 15 1HB GLU 15 -0.699 9.385 2.388 128 1HG GLU 15 2HG GLU 15 0.152 9.075 0.126 129 2HG GLU 15 1HG GLU 15 -1.470 8.719 -0.468 130 H LYS 16 HN LYS 16 -0.240 7.600 4.184 131 HA LYS 16 HA LYS 16 2.544 7.444 3.709 132 1HB LYS 16 2HB LYS 16 0.903 7.956 5.811 133 2HB LYS 16 1HB LYS 16 1.478 6.346 6.241 134 1HG LYS 16 2HG LYS 16 3.796 7.078 6.071 135 2HG LYS 16 1HG LYS 16 3.285 8.666 5.498 136 1HD LYS 16 2HD LYS 16 2.501 7.510 8.189 137 2HD LYS 16 1HD LYS 16 3.861 8.607 7.950 138 1HE LYS 16 2HE LYS 16 1.456 9.665 6.684 139 2HE LYS 16 1HE LYS 16 1.195 9.361 8.412 140 1HZ LYS 16 1HZ LYS 16 3.433 10.885 7.191 141 2HZ LYS 16 2HZ LYS 16 3.357 10.456 8.833 142 3HZ LYS 16 3HZ LYS 16 2.198 11.508 8.172 143 H GLU 17 HN GLU 17 0.211 4.971 4.558 144 HA GLU 17 HA GLU 17 1.924 2.720 4.854 145 1HB GLU 17 2HB GLU 17 -0.926 3.302 4.284 146 2HB GLU 17 1HB GLU 17 -0.384 1.698 3.791 147 1HG GLU 17 2HG GLU 17 0.420 1.224 6.029 148 2HG GLU 17 1HG GLU 17 0.055 2.871 6.549 149 H LEU 18 HN LEU 18 0.030 3.653 1.971 150 HA LEU 18 HA LEU 18 1.029 1.778 0.133 151 1HB LEU 18 2HB LEU 18 -0.744 3.834 0.135 152 2HB LEU 18 1HB LEU 18 0.555 4.566 -0.805 153 HG LEU 18 HG LEU 18 0.511 2.675 -2.368 154 1HD1 LEU 18 1HD1 LEU 18 -0.875 1.392 -0.237 155 2HD1 LEU 18 2HD1 LEU 18 -0.380 0.678 -1.766 156 3HD1 LEU 18 3HD1 LEU 18 -1.969 1.430 -1.608 157 1HD2 LEU 18 1HD2 LEU 18 -2.040 4.148 -1.773 158 2HD2 LEU 18 2HD2 LEU 18 -1.977 2.991 -3.104 159 3HD2 LEU 18 3HD2 LEU 18 -0.904 4.391 -3.100 160 H ARG 19 HN ARG 19 2.329 5.044 0.825 161 HA ARG 19 HA ARG 19 4.499 4.989 -1.019 162 1HB ARG 19 2HB ARG 19 4.092 6.299 1.684 163 2HB ARG 19 1HB ARG 19 5.465 6.664 0.639 164 1HG ARG 19 2HG ARG 19 3.259 6.853 -1.068 165 2HG ARG 19 1HG ARG 19 2.693 7.571 0.440 166 1HD ARG 19 2HD ARG 19 5.082 8.776 0.342 167 2HD ARG 19 1HD ARG 19 4.861 8.499 -1.398 168 HE ARG 19 HE ARG 19 3.131 10.182 0.313 169 1HH1 ARG 19 1HH2 ARG 19 1.352 8.533 -1.403 170 2HH1 ARG 19 2HH2 ARG 19 1.236 9.481 -2.848 171 1HH2 ARG 19 1HH1 ARG 19 4.004 11.435 -2.104 172 2HH2 ARG 19 2HH1 ARG 19 2.737 11.124 -3.245 173 H ASP 20 HN ASP 20 4.047 3.280 1.991 174 HA ASP 20 HA ASP 20 6.944 2.627 2.196 175 1HB ASP 20 2HB ASP 20 5.084 3.302 4.046 176 2HB ASP 20 1HB ASP 20 4.916 1.546 4.084 177 H PHE 21 HN PHE 21 3.769 1.098 1.648 178 HA PHE 21 HA PHE 21 4.599 -1.636 1.730 179 1HB PHE 21 2HB PHE 21 2.273 -0.858 1.725 180 2HB PHE 21 1HB PHE 21 2.429 -0.311 0.069 181 HD1 PHE 21 1HD PHE 21 2.452 -1.871 -1.785 182 HD2 PHE 21 2HD PHE 21 2.553 -3.235 2.279 183 HE1 PHE 21 1HE PHE 21 2.045 -4.195 -2.557 184 HE2 PHE 21 2HE PHE 21 2.141 -5.569 1.513 185 HZ PHE 21 HZ PHE 21 1.887 -6.045 -0.910 186 H ILE 22 HN ILE 22 3.728 0.027 -1.301 187 HA ILE 22 HA ILE 22 4.945 -1.666 -3.138 188 HB ILE 22 HB ILE 22 4.618 1.350 -3.161 189 1HG1 ILE 22 2HG1 ILE 22 2.763 0.138 -4.836 190 2HG1 ILE 22 1HG1 ILE 22 2.854 -0.978 -3.480 191 1HG2 ILE 22 1HG2 ILE 22 4.768 1.183 -5.596 192 2HG2 ILE 22 2HG2 ILE 22 4.987 -0.564 -5.485 193 3HG2 ILE 22 3HG2 ILE 22 6.242 0.522 -4.888 194 1HD1 ILE 22 1HD1 ILE 22 1.783 0.443 -2.103 195 2HD1 ILE 22 2HD1 ILE 22 1.337 1.326 -3.562 196 3HD1 ILE 22 3HD1 ILE 22 2.752 1.819 -2.637 197 H GLU 23 HN GLU 23 6.427 0.847 -1.178 198 HA GLU 23 HA GLU 23 8.992 0.957 -2.503 199 1HB GLU 23 2HB GLU 23 7.961 2.598 -0.853 200 2HB GLU 23 1HB GLU 23 8.347 1.441 0.422 201 1HG GLU 23 2HG GLU 23 10.745 1.519 -0.311 202 2HG GLU 23 1HG GLU 23 10.310 2.800 -1.443 203 H LYS 24 HN LYS 24 7.649 -1.065 0.074 204 HA LYS 24 HA LYS 24 10.215 -2.456 0.528 205 1HB LYS 24 2HB LYS 24 8.361 -1.836 2.234 206 2HB LYS 24 1HB LYS 24 7.471 -3.201 1.557 207 1HG LYS 24 2HG LYS 24 8.928 -4.761 2.417 208 2HG LYS 24 1HG LYS 24 10.315 -3.677 2.311 209 1HD LYS 24 2HD LYS 24 9.947 -3.773 4.621 210 2HD LYS 24 1HD LYS 24 9.063 -2.316 4.165 211 1HE LYS 24 2HE LYS 24 6.962 -3.399 4.306 212 2HE LYS 24 1HE LYS 24 7.696 -5.014 4.231 213 1HZ LYS 24 1HZ LYS 24 7.101 -4.371 6.517 214 2HZ LYS 24 2HZ LYS 24 8.148 -3.042 6.408 215 3HZ LYS 24 3HZ LYS 24 8.772 -4.620 6.335 216 H PHE 25 HN PHE 25 6.959 -3.243 -0.733 217 HA PHE 25 HA PHE 25 8.020 -5.750 -1.870 218 1HB PHE 25 2HB PHE 25 6.014 -5.744 -0.380 219 2HB PHE 25 1HB PHE 25 5.185 -4.733 -1.565 220 HD1 PHE 25 1HD PHE 25 3.761 -5.843 -3.015 221 HD2 PHE 25 2HD PHE 25 7.260 -7.867 -1.568 222 HE1 PHE 25 1HE PHE 25 3.121 -7.866 -4.302 223 HE2 PHE 25 2HE PHE 25 6.622 -9.891 -2.855 224 HZ PHE 25 HZ PHE 25 4.552 -9.889 -4.222 225 H LYS 26 HN LYS 26 9.102 -4.000 -3.428 226 HA LYS 26 HA LYS 26 7.635 -2.564 -5.363 227 1HB LYS 26 2HB LYS 26 10.315 -3.940 -5.331 228 2HB LYS 26 1HB LYS 26 9.780 -3.031 -6.745 229 1HG LYS 26 2HG LYS 26 9.357 -1.067 -5.205 230 2HG LYS 26 1HG LYS 26 10.156 -1.985 -3.927 231 1HD LYS 26 2HD LYS 26 12.225 -2.034 -5.127 232 2HD LYS 26 1HD LYS 26 11.461 -1.442 -6.602 233 1HE LYS 26 2HE LYS 26 11.168 0.291 -4.197 234 2HE LYS 26 1HE LYS 26 12.785 0.205 -4.923 235 1HZ LYS 26 1HZ LYS 26 11.872 0.712 -7.059 236 2HZ LYS 26 2HZ LYS 26 11.331 1.899 -5.971 237 3HZ LYS 26 3HZ LYS 26 10.285 0.654 -6.463 238 H GLY 27 HN GLY 27 8.088 -5.988 -5.085 239 1HA GLY 27 2HA GLY 27 6.116 -6.948 -6.638 240 2HA GLY 27 1HA GLY 27 7.305 -6.520 -7.867 241 H ARG 28 HN ARG 28 9.472 -7.534 -7.660 242 HA ARG 28 HA ARG 28 9.247 -10.295 -6.522 243 1HB ARG 28 2HB ARG 28 10.823 -9.031 -8.778 244 2HB ARG 28 1HB ARG 28 11.135 -10.672 -8.212 245 1HG ARG 28 2HG ARG 28 8.899 -11.371 -8.768 246 2HG ARG 28 1HG ARG 28 8.403 -9.712 -9.098 247 1HD ARG 28 2HD ARG 28 8.877 -10.266 -11.273 248 2HD ARG 28 1HD ARG 28 10.560 -9.984 -10.787 249 HE ARG 28 HE ARG 28 10.846 -12.368 -10.504 250 1HH1 ARG 28 1HH2 ARG 28 8.965 -11.885 -13.017 251 2HH1 ARG 28 2HH2 ARG 28 7.917 -13.252 -12.834 252 1HH2 ARG 28 1HH1 ARG 28 8.947 -13.940 -9.594 253 2HH2 ARG 28 2HH1 ARG 28 7.908 -14.416 -10.895 Start of MODEL 28 1 1H GLU 1 1HT GLU 1 -18.483 7.440 0.231 2 2H GLU 1 2HT GLU 1 -17.486 8.674 -0.377 3 3H GLU 1 3HT GLU 1 -17.208 8.041 1.176 4 HA GLU 1 HA GLU 1 -16.588 5.901 0.241 5 1HB GLU 1 2HB GLU 1 -18.237 6.243 -1.647 6 2HB GLU 1 1HB GLU 1 -17.056 7.313 -2.402 7 1HG GLU 1 2HG GLU 1 -15.394 5.417 -2.299 8 2HG GLU 1 1HG GLU 1 -16.711 4.372 -1.768 9 H GLN 2 HN GLN 2 -14.361 5.572 -0.245 10 HA GLN 2 HA GLN 2 -12.702 7.758 -1.298 11 1HB GLN 2 2HB GLN 2 -13.370 7.941 1.318 12 2HB GLN 2 1HB GLN 2 -11.951 6.902 1.454 13 1HG GLN 2 2HG GLN 2 -10.510 8.582 0.889 14 2HG GLN 2 1HG GLN 2 -11.577 9.181 -0.384 15 1HE2 GLN 2 1HE2 GLN 2 -10.818 9.447 3.064 16 2HE2 GLN 2 2HE2 GLN 2 -11.775 10.819 3.349 17 H TYR 3 HN TYR 3 -10.321 6.852 -0.098 18 HA TYR 3 HA TYR 3 -8.931 5.263 -1.619 19 1HB TYR 3 2HB TYR 3 -9.172 5.555 1.290 20 2HB TYR 3 1HB TYR 3 -8.317 4.092 0.801 21 HD1 TYR 3 1HD TYR 3 -8.259 7.721 0.909 22 HD2 TYR 3 2HD TYR 3 -6.340 4.221 -0.657 23 HE1 TYR 3 1HE TYR 3 -6.283 9.077 0.344 24 HE2 TYR 3 2HE TYR 3 -4.342 5.563 -1.227 25 HH TYR 3 HH TYR 3 -4.274 8.707 -1.561 26 H THR 4 HN THR 4 -8.728 3.290 -2.411 27 HA THR 4 HA THR 4 -9.931 0.938 -1.147 28 HB THR 4 HB THR 4 -10.718 1.460 -3.996 29 HG1 THR 4 1HG THR 4 -12.251 2.804 -3.428 30 1HG2 THR 4 1HG2 THR 4 -11.399 -0.369 -1.784 31 2HG2 THR 4 2HG2 THR 4 -11.534 -0.606 -3.529 32 3HG2 THR 4 3HG2 THR 4 -12.797 0.262 -2.658 33 H ALA 5 HN ALA 5 -7.241 2.092 -2.142 34 HA ALA 5 HA ALA 5 -6.364 0.592 -4.412 35 1HB ALA 5 1HB ALA 5 -5.379 2.575 -2.808 36 2HB ALA 5 2HB ALA 5 -4.399 1.666 -3.962 37 3HB ALA 5 3HB ALA 5 -4.424 1.188 -2.256 38 H LYS 6 HN LYS 6 -5.938 -1.593 -4.506 39 HA LYS 6 HA LYS 6 -5.333 -2.983 -1.917 40 1HB LYS 6 2HB LYS 6 -6.396 -4.972 -2.940 41 2HB LYS 6 1HB LYS 6 -7.517 -3.618 -2.817 42 1HG LYS 6 2HG LYS 6 -7.889 -3.747 -5.027 43 2HG LYS 6 1HG LYS 6 -6.198 -3.353 -5.320 44 1HD LYS 6 2HD LYS 6 -5.561 -5.656 -5.353 45 2HD LYS 6 1HD LYS 6 -7.115 -6.166 -4.691 46 1HE LYS 6 2HE LYS 6 -8.264 -5.659 -6.727 47 2HE LYS 6 1HE LYS 6 -6.878 -4.749 -7.363 48 1HZ LYS 6 1HZ LYS 6 -7.054 -7.090 -8.191 49 2HZ LYS 6 2HZ LYS 6 -6.740 -7.616 -6.606 50 3HZ LYS 6 3HZ LYS 6 -5.576 -6.714 -7.446 51 H TYR 7 HN TYR 7 -3.543 -4.294 -1.907 52 HA TYR 7 HA TYR 7 -1.975 -4.483 -4.457 53 1HB TYR 7 2HB TYR 7 -1.186 -3.777 -1.624 54 2HB TYR 7 1HB TYR 7 -0.001 -4.264 -2.831 55 HD1 TYR 7 1HD TYR 7 0.843 -2.717 -4.327 56 HD2 TYR 7 2HD TYR 7 -2.827 -1.918 -2.274 57 HE1 TYR 7 1HE TYR 7 0.838 -0.431 -5.250 58 HE2 TYR 7 2HE TYR 7 -2.855 0.383 -3.180 59 HH TYR 7 HH TYR 7 -1.397 1.373 -5.686 60 H LYS 8 HN LYS 8 -1.699 -5.820 -1.146 61 HA LYS 8 HA LYS 8 -1.377 -8.545 -2.354 62 1HB LYS 8 2HB LYS 8 -0.030 -6.992 -0.305 63 2HB LYS 8 1HB LYS 8 -0.640 -8.490 0.393 64 1HG LYS 8 2HG LYS 8 0.925 -8.422 -2.195 65 2HG LYS 8 1HG LYS 8 1.696 -8.617 -0.620 66 1HD LYS 8 2HD LYS 8 0.578 -10.674 -0.206 67 2HD LYS 8 1HD LYS 8 -0.573 -10.400 -1.515 68 1HE LYS 8 2HE LYS 8 2.319 -10.454 -2.263 69 2HE LYS 8 1HE LYS 8 1.556 -12.002 -1.845 70 1HZ LYS 8 1HZ LYS 8 0.495 -10.007 -3.779 71 2HZ LYS 8 2HZ LYS 8 -0.261 -11.469 -3.356 72 3HZ LYS 8 3HZ LYS 8 1.219 -11.489 -4.186 73 H GLY 9 HN GLY 9 -3.983 -7.719 -2.240 74 1HA GLY 9 2HA GLY 9 -6.069 -8.490 -1.464 75 2HA GLY 9 1HA GLY 9 -5.200 -9.612 -0.412 76 H ARG 10 HN ARG 10 -4.634 -6.146 -0.431 77 HA ARG 10 HA ARG 10 -6.121 -5.814 2.139 78 1HB ARG 10 2HB ARG 10 -3.188 -5.170 1.646 79 2HB ARG 10 1HB ARG 10 -4.069 -4.862 3.144 80 1HG ARG 10 2HG ARG 10 -4.527 -7.315 3.334 81 2HG ARG 10 1HG ARG 10 -3.517 -7.578 1.912 82 1HD ARG 10 2HD ARG 10 -1.597 -6.515 3.108 83 2HD ARG 10 1HD ARG 10 -2.618 -6.380 4.556 84 HE ARG 10 HE ARG 10 -1.878 -8.977 3.264 85 1HH1 ARG 10 1HH1 ARG 10 -0.529 -8.399 5.796 86 2HH1 ARG 10 2HH1 ARG 10 -1.571 -9.116 6.979 87 1HH2 ARG 10 1HH2 ARG 10 -4.290 -9.338 4.840 88 2HH2 ARG 10 2HH2 ARG 10 -3.699 -9.647 6.438 89 H THR 11 HN THR 11 -7.420 -4.018 1.681 90 HA THR 11 HA THR 11 -6.767 -2.096 -0.359 91 HB THR 11 HB THR 11 -8.694 -2.008 1.988 92 HG1 THR 11 1HG THR 11 -9.015 -2.610 -0.761 93 1HG2 THR 11 1HG2 THR 11 -8.448 0.253 1.353 94 2HG2 THR 11 2HG2 THR 11 -9.838 -0.293 0.415 95 3HG2 THR 11 3HG2 THR 11 -8.253 -0.156 -0.351 96 H PHE 12 HN PHE 12 -5.884 0.055 -0.059 97 HA PHE 12 HA PHE 12 -4.419 0.411 2.524 98 1HB PHE 12 2HB PHE 12 -3.919 1.189 -0.354 99 2HB PHE 12 1HB PHE 12 -3.068 2.010 0.969 100 HD1 PHE 12 1HD PHE 12 -1.243 0.947 2.069 101 HD2 PHE 12 2HD PHE 12 -3.894 -1.288 -0.438 102 HE1 PHE 12 1HE PHE 12 0.268 -1.023 2.253 103 HE2 PHE 12 2HE PHE 12 -2.427 -3.295 -0.214 104 HZ PHE 12 HZ PHE 12 -0.336 -3.149 1.120 105 H ARG 13 HN ARG 13 -5.717 1.610 3.808 106 HA ARG 13 HA ARG 13 -7.213 3.933 2.702 107 1HB ARG 13 2HB ARG 13 -8.293 3.866 4.941 108 2HB ARG 13 1HB ARG 13 -8.364 2.299 4.139 109 1HG ARG 13 2HG ARG 13 -5.912 2.422 5.624 110 2HG ARG 13 1HG ARG 13 -7.221 2.930 6.689 111 1HD ARG 13 2HD ARG 13 -8.399 0.878 6.402 112 2HD ARG 13 1HD ARG 13 -7.418 0.425 4.994 113 HE ARG 13 HE ARG 13 -6.216 0.718 7.722 114 1HH1 ARG 13 1HH1 ARG 13 -7.198 -2.016 7.036 115 2HH1 ARG 13 2HH1 ARG 13 -5.791 -2.750 6.340 116 1HH2 ARG 13 1HH2 ARG 13 -4.152 0.260 5.819 117 2HH2 ARG 13 2HH2 ARG 13 -4.069 -1.462 5.650 118 H ASN 14 HN ASN 14 -4.232 3.914 3.049 119 HA ASN 14 HA ASN 14 -4.018 6.467 4.507 120 1HB ASN 14 2HB ASN 14 -3.812 4.804 6.273 121 2HB ASN 14 1HB ASN 14 -2.611 3.906 5.344 122 1HD2 ASN 14 1HD2 ASN 14 -3.103 7.304 6.385 123 2HD2 ASN 14 2HD2 ASN 14 -1.507 7.546 6.914 124 H GLU 15 HN GLU 15 -2.771 7.703 3.220 125 HA GLU 15 HA GLU 15 -1.319 6.783 0.947 126 1HB GLU 15 2HB GLU 15 -2.237 9.128 1.805 127 2HB GLU 15 1HB GLU 15 -0.581 9.303 2.388 128 1HG GLU 15 2HG GLU 15 -0.028 8.416 -0.076 129 2HG GLU 15 1HG GLU 15 -1.600 9.145 -0.414 130 H LYS 16 HN LYS 16 -0.278 7.443 4.279 131 HA LYS 16 HA LYS 16 2.519 7.302 3.936 132 1HB LYS 16 2HB LYS 16 0.771 7.708 5.977 133 2HB LYS 16 1HB LYS 16 1.348 6.088 6.365 134 1HG LYS 16 2HG LYS 16 3.143 7.080 7.313 135 2HG LYS 16 1HG LYS 16 3.677 7.469 5.679 136 1HD LYS 16 2HD LYS 16 3.645 9.591 6.606 137 2HD LYS 16 1HD LYS 16 1.998 9.506 5.980 138 1HE LYS 16 2HE LYS 16 1.484 10.122 8.147 139 2HE LYS 16 1HE LYS 16 1.624 8.374 8.425 140 1HZ LYS 16 1HZ LYS 16 3.987 8.676 8.871 141 2HZ LYS 16 2HZ LYS 16 3.050 9.587 9.953 142 3HZ LYS 16 3HZ LYS 16 3.831 10.353 8.652 143 H GLU 17 HN GLU 17 0.185 4.765 4.603 144 HA GLU 17 HA GLU 17 1.973 2.551 4.832 145 1HB GLU 17 2HB GLU 17 -0.917 2.955 4.084 146 2HB GLU 17 1HB GLU 17 -0.209 1.342 4.005 147 1HG GLU 17 2HG GLU 17 -0.131 3.124 6.455 148 2HG GLU 17 1HG GLU 17 -1.293 1.821 6.204 149 H LEU 18 HN LEU 18 0.047 3.604 2.009 150 HA LEU 18 HA LEU 18 1.046 1.766 0.109 151 1HB LEU 18 2HB LEU 18 -0.795 3.747 0.169 152 2HB LEU 18 1HB LEU 18 0.477 4.579 -0.720 153 HG LEU 18 HG LEU 18 0.523 2.784 -2.385 154 1HD1 LEU 18 1HD1 LEU 18 -0.749 1.280 -0.351 155 2HD1 LEU 18 2HD1 LEU 18 -0.322 0.716 -1.960 156 3HD1 LEU 18 3HD1 LEU 18 -1.918 1.403 -1.651 157 1HD2 LEU 18 1HD2 LEU 18 -2.079 4.122 -1.721 158 2HD2 LEU 18 2HD2 LEU 18 -1.995 3.013 -3.091 159 3HD2 LEU 18 3HD2 LEU 18 -0.968 4.446 -3.053 160 H ARG 19 HN ARG 19 2.314 4.982 0.982 161 HA ARG 19 HA ARG 19 4.437 5.044 -0.937 162 1HB ARG 19 2HB ARG 19 4.066 6.269 1.814 163 2HB ARG 19 1HB ARG 19 5.384 6.711 0.729 164 1HG ARG 19 2HG ARG 19 3.956 7.707 -0.824 165 2HG ARG 19 1HG ARG 19 2.559 6.776 -0.284 166 1HD ARG 19 2HD ARG 19 2.121 8.903 0.629 167 2HD ARG 19 1HD ARG 19 2.929 8.088 1.981 168 HE ARG 19 HE ARG 19 4.513 9.692 0.023 169 1HH1 ARG 19 1HH2 ARG 19 2.911 10.549 2.702 170 2HH1 ARG 19 2HH2 ARG 19 4.285 10.865 3.709 171 1HH2 ARG 19 1HH1 ARG 19 6.549 9.390 1.533 172 2HH2 ARG 19 2HH1 ARG 19 6.346 10.208 3.047 173 H ASP 20 HN ASP 20 4.053 3.234 2.017 174 HA ASP 20 HA ASP 20 6.966 2.613 2.140 175 1HB ASP 20 2HB ASP 20 4.610 2.584 3.960 176 2HB ASP 20 1HB ASP 20 5.844 1.357 4.254 177 H PHE 21 HN PHE 21 3.783 1.061 1.702 178 HA PHE 21 HA PHE 21 4.617 -1.670 1.713 179 1HB PHE 21 2HB PHE 21 2.291 -0.882 1.782 180 2HB PHE 21 1HB PHE 21 2.403 -0.321 0.127 181 HD1 PHE 21 1HD PHE 21 2.367 -1.871 -1.739 182 HD2 PHE 21 2HD PHE 21 2.566 -3.261 2.312 183 HE1 PHE 21 1HE PHE 21 1.917 -4.186 -2.514 184 HE2 PHE 21 2HE PHE 21 2.101 -5.587 1.546 185 HZ PHE 21 HZ PHE 21 1.782 -6.044 -0.873 186 H ILE 22 HN ILE 22 3.667 0.046 -1.264 187 HA ILE 22 HA ILE 22 4.829 -1.641 -3.153 188 HB ILE 22 HB ILE 22 4.440 1.369 -3.151 189 1HG1 ILE 22 2HG1 ILE 22 2.550 0.151 -4.765 190 2HG1 ILE 22 1HG1 ILE 22 2.724 -1.001 -3.446 191 1HG2 ILE 22 1HG2 ILE 22 4.491 1.200 -5.598 192 2HG2 ILE 22 2HG2 ILE 22 4.797 -0.533 -5.486 193 3HG2 ILE 22 3HG2 ILE 22 6.018 0.614 -4.936 194 1HD1 ILE 22 1HD1 ILE 22 1.811 0.407 -1.916 195 2HD1 ILE 22 2HD1 ILE 22 1.074 1.132 -3.344 196 3HD1 ILE 22 3HD1 ILE 22 2.534 1.840 -2.653 197 H GLU 23 HN GLU 23 6.350 0.927 -1.276 198 HA GLU 23 HA GLU 23 8.854 1.041 -2.709 199 1HB GLU 23 2HB GLU 23 7.650 1.996 -0.193 200 2HB GLU 23 1HB GLU 23 9.394 1.755 -0.095 201 1HG GLU 23 2HG GLU 23 8.965 3.024 -2.578 202 2HG GLU 23 1HG GLU 23 7.911 3.860 -1.440 203 H LYS 24 HN LYS 24 7.581 -1.111 -0.245 204 HA LYS 24 HA LYS 24 10.246 -2.388 0.123 205 1HB LYS 24 2HB LYS 24 7.623 -2.266 1.559 206 2HB LYS 24 1HB LYS 24 8.639 -3.686 1.813 207 1HG LYS 24 2HG LYS 24 10.554 -2.114 2.320 208 2HG LYS 24 1HG LYS 24 9.387 -0.790 2.292 209 1HD LYS 24 2HD LYS 24 8.055 -2.051 4.035 210 2HD LYS 24 1HD LYS 24 9.410 -3.173 4.161 211 1HE LYS 24 2HE LYS 24 10.488 -0.525 4.328 212 2HE LYS 24 1HE LYS 24 9.116 -0.628 5.450 213 1HZ LYS 24 1HZ LYS 24 9.996 -2.594 6.412 214 2HZ LYS 24 2HZ LYS 24 11.270 -1.470 6.365 215 3HZ LYS 24 3HZ LYS 24 11.202 -2.728 5.225 216 H PHE 25 HN PHE 25 6.919 -3.121 -0.938 217 HA PHE 25 HA PHE 25 7.688 -5.836 -1.726 218 1HB PHE 25 2HB PHE 25 5.552 -5.313 -0.568 219 2HB PHE 25 1HB PHE 25 5.076 -4.319 -1.946 220 HD1 PHE 25 1HD PHE 25 3.388 -5.402 -3.110 221 HD2 PHE 25 2HD PHE 25 6.757 -7.672 -1.726 222 HE1 PHE 25 1HE PHE 25 2.512 -7.409 -4.275 223 HE2 PHE 25 2HE PHE 25 5.883 -9.682 -2.889 224 HZ PHE 25 HZ PHE 25 3.760 -9.550 -4.164 225 H LYS 26 HN LYS 26 9.121 -3.962 -3.212 226 HA LYS 26 HA LYS 26 7.947 -3.057 -5.637 227 1HB LYS 26 2HB LYS 26 10.659 -3.699 -4.595 228 2HB LYS 26 1HB LYS 26 10.500 -3.502 -6.341 229 1HG LYS 26 2HG LYS 26 9.377 -1.481 -4.397 230 2HG LYS 26 1HG LYS 26 11.033 -1.380 -4.997 231 1HD LYS 26 2HD LYS 26 8.752 -1.698 -6.929 232 2HD LYS 26 1HD LYS 26 9.142 -0.106 -6.280 233 1HE LYS 26 2HE LYS 26 11.463 -0.325 -7.093 234 2HE LYS 26 1HE LYS 26 11.084 -1.934 -7.742 235 1HZ LYS 26 1HZ LYS 26 10.815 -0.200 -9.431 236 2HZ LYS 26 2HZ LYS 26 9.666 0.580 -8.453 237 3HZ LYS 26 3HZ LYS 26 9.336 -0.960 -9.081 238 H GLY 27 HN GLY 27 8.803 -6.252 -4.645 239 1HA GLY 27 2HA GLY 27 9.370 -7.559 -7.068 240 2HA GLY 27 1HA GLY 27 8.545 -8.327 -5.713 241 H ARG 28 HN ARG 28 6.328 -6.269 -5.924 242 HA ARG 28 HA ARG 28 5.094 -6.825 -8.545 243 1HB ARG 28 2HB ARG 28 4.874 -8.714 -6.582 244 2HB ARG 28 1HB ARG 28 3.454 -7.724 -6.246 245 1HG ARG 28 2HG ARG 28 4.144 -8.848 -8.976 246 2HG ARG 28 1HG ARG 28 2.990 -9.580 -7.860 247 1HD ARG 28 2HD ARG 28 1.886 -7.192 -7.852 248 2HD ARG 28 1HD ARG 28 2.759 -6.998 -9.385 249 HE ARG 28 HE ARG 28 1.674 -9.320 -9.939 250 1HH1 ARG 28 1HH2 ARG 28 0.167 -8.503 -7.204 251 2HH1 ARG 28 2HH2 ARG 28 -1.405 -8.214 -7.873 252 1HH2 ARG 28 1HH1 ARG 28 -0.300 -8.231 -11.159 253 2HH2 ARG 28 2HH1 ARG 28 -1.669 -8.060 -10.112 Start of MODEL 29 1 1H GLU 1 1HT GLU 1 -17.270 8.372 0.010 2 2H GLU 1 2HT GLU 1 -17.235 8.077 1.683 3 3H GLU 1 3HT GLU 1 -18.365 7.275 0.700 4 HA GLU 1 HA GLU 1 -16.411 5.881 1.385 5 1HB GLU 1 2HB GLU 1 -16.253 4.981 -0.934 6 2HB GLU 1 1HB GLU 1 -17.911 5.387 -0.500 7 1HG GLU 1 2HG GLU 1 -17.874 7.384 -1.794 8 2HG GLU 1 1HG GLU 1 -16.117 7.342 -1.950 9 H GLN 2 HN GLN 2 -14.152 5.478 1.019 10 HA GLN 2 HA GLN 2 -12.598 7.682 -0.274 11 1HB GLN 2 2HB GLN 2 -12.978 7.551 2.407 12 2HB GLN 2 1HB GLN 2 -11.556 6.518 2.257 13 1HG GLN 2 2HG GLN 2 -10.184 8.261 1.645 14 2HG GLN 2 1HG GLN 2 -11.456 9.051 0.710 15 1HE2 GLN 2 1HE2 GLN 2 -12.576 10.768 1.711 16 2HE2 GLN 2 2HE2 GLN 2 -12.382 11.206 3.339 17 H TYR 3 HN TYR 3 -10.119 6.653 0.524 18 HA TYR 3 HA TYR 3 -8.984 5.207 -1.352 19 1HB TYR 3 2HB TYR 3 -8.750 5.323 1.573 20 2HB TYR 3 1HB TYR 3 -7.970 3.910 0.860 21 HD1 TYR 3 1HD TYR 3 -8.000 7.548 1.090 22 HD2 TYR 3 2HD TYR 3 -6.191 4.140 -0.779 23 HE1 TYR 3 1HE TYR 3 -6.151 8.979 0.318 24 HE2 TYR 3 2HE TYR 3 -4.316 5.558 -1.563 25 HH TYR 3 HH TYR 3 -3.242 7.798 -0.767 26 H THR 4 HN THR 4 -8.701 3.206 -2.130 27 HA THR 4 HA THR 4 -9.833 0.834 -0.842 28 HB THR 4 HB THR 4 -10.741 1.386 -3.650 29 HG1 THR 4 1HG THR 4 -12.058 2.229 -1.284 30 1HG2 THR 4 1HG2 THR 4 -11.320 -0.479 -1.425 31 2HG2 THR 4 2HG2 THR 4 -11.467 -0.718 -3.169 32 3HG2 THR 4 3HG2 THR 4 -12.743 0.118 -2.285 33 H ALA 5 HN ALA 5 -7.200 2.046 -1.991 34 HA ALA 5 HA ALA 5 -6.398 0.526 -4.271 35 1HB ALA 5 1HB ALA 5 -5.362 2.545 -2.782 36 2HB ALA 5 2HB ALA 5 -4.397 1.569 -3.892 37 3HB ALA 5 3HB ALA 5 -4.410 1.182 -2.165 38 H LYS 6 HN LYS 6 -6.179 -1.682 -4.300 39 HA LYS 6 HA LYS 6 -5.545 -3.048 -1.716 40 1HB LYS 6 2HB LYS 6 -6.530 -5.043 -2.856 41 2HB LYS 6 1HB LYS 6 -7.663 -3.705 -2.675 42 1HG LYS 6 2HG LYS 6 -7.862 -3.421 -4.916 43 2HG LYS 6 1HG LYS 6 -6.127 -3.580 -5.178 44 1HD LYS 6 2HD LYS 6 -7.210 -5.435 -6.288 45 2HD LYS 6 1HD LYS 6 -6.386 -6.070 -4.863 46 1HE LYS 6 2HE LYS 6 -8.431 -7.043 -4.458 47 2HE LYS 6 1HE LYS 6 -8.835 -5.442 -3.805 48 1HZ LYS 6 1HZ LYS 6 -10.391 -6.246 -5.563 49 2HZ LYS 6 2HZ LYS 6 -9.105 -6.167 -6.671 50 3HZ LYS 6 3HZ LYS 6 -9.663 -4.754 -5.910 51 H TYR 7 HN TYR 7 -3.784 -4.340 -1.560 52 HA TYR 7 HA TYR 7 -2.128 -4.823 -4.010 53 1HB TYR 7 2HB TYR 7 -1.292 -3.809 -1.282 54 2HB TYR 7 1HB TYR 7 -0.160 -4.410 -2.476 55 HD1 TYR 7 1HD TYR 7 0.616 -3.058 -4.166 56 HD2 TYR 7 2HD TYR 7 -2.893 -1.954 -1.985 57 HE1 TYR 7 1HE TYR 7 0.637 -0.855 -5.278 58 HE2 TYR 7 2HE TYR 7 -2.904 0.262 -3.077 59 HH TYR 7 HH TYR 7 -0.739 1.723 -4.294 60 H LYS 8 HN LYS 8 -2.025 -7.020 -4.226 61 HA LYS 8 HA LYS 8 -1.899 -9.314 -3.681 62 1HB LYS 8 2HB LYS 8 0.137 -8.131 -2.507 63 2HB LYS 8 1HB LYS 8 -0.756 -8.477 -1.026 64 1HG LYS 8 2HG LYS 8 0.528 -10.410 -1.239 65 2HG LYS 8 1HG LYS 8 -0.957 -10.892 -2.058 66 1HD LYS 8 2HD LYS 8 0.035 -10.278 -4.231 67 2HD LYS 8 1HD LYS 8 1.523 -9.795 -3.415 68 1HE LYS 8 2HE LYS 8 1.761 -12.128 -2.539 69 2HE LYS 8 1HE LYS 8 0.335 -12.593 -3.489 70 1HZ LYS 8 1HZ LYS 8 1.400 -11.904 -5.487 71 2HZ LYS 8 2HZ LYS 8 2.490 -12.921 -4.672 72 3HZ LYS 8 3HZ LYS 8 2.714 -11.240 -4.641 73 H GLY 9 HN GLY 9 -4.224 -7.524 -2.602 74 1HA GLY 9 2HA GLY 9 -6.282 -8.424 -1.711 75 2HA GLY 9 1HA GLY 9 -5.346 -9.642 -0.849 76 H ARG 10 HN ARG 10 -4.690 -6.147 -0.848 77 HA ARG 10 HA ARG 10 -5.730 -5.919 1.937 78 1HB ARG 10 2HB ARG 10 -2.867 -5.355 1.084 79 2HB ARG 10 1HB ARG 10 -3.525 -5.092 2.698 80 1HG ARG 10 2HG ARG 10 -4.078 -7.549 2.792 81 2HG ARG 10 1HG ARG 10 -3.208 -7.746 1.271 82 1HD ARG 10 2HD ARG 10 -1.510 -8.200 2.812 83 2HD ARG 10 1HD ARG 10 -1.289 -6.455 2.589 84 HE ARG 10 HE ARG 10 -3.193 -7.267 4.685 85 1HH1 ARG 10 1HH2 ARG 10 -0.051 -7.829 4.888 86 2HH1 ARG 10 2HH2 ARG 10 0.368 -6.547 5.974 87 1HH2 ARG 10 1HH1 ARG 10 -2.664 -4.901 5.622 88 2HH2 ARG 10 2HH1 ARG 10 -1.112 -4.889 6.390 89 H THR 11 HN THR 11 -7.076 -4.118 1.652 90 HA THR 11 HA THR 11 -6.598 -2.084 -0.315 91 HB THR 11 HB THR 11 -8.347 -2.139 2.157 92 HG1 THR 11 1HG THR 11 -8.797 -2.674 -0.584 93 1HG2 THR 11 1HG2 THR 11 -8.224 0.152 1.635 94 2HG2 THR 11 2HG2 THR 11 -9.630 -0.387 0.715 95 3HG2 THR 11 3HG2 THR 11 -8.080 -0.155 -0.096 96 H PHE 12 HN PHE 12 -6.135 0.256 0.205 97 HA PHE 12 HA PHE 12 -4.421 0.570 2.648 98 1HB PHE 12 2HB PHE 12 -3.938 1.261 -0.255 99 2HB PHE 12 1HB PHE 12 -3.131 2.184 1.030 100 HD1 PHE 12 1HD PHE 12 -1.260 1.249 2.204 101 HD2 PHE 12 2HD PHE 12 -3.780 -1.195 -0.243 102 HE1 PHE 12 1HE PHE 12 0.336 -0.645 2.468 103 HE2 PHE 12 2HE PHE 12 -2.232 -3.106 0.063 104 HZ PHE 12 HZ PHE 12 -0.161 -2.830 1.402 105 H ARG 13 HN ARG 13 -5.618 1.900 3.945 106 HA ARG 13 HA ARG 13 -7.117 4.169 2.709 107 1HB ARG 13 2HB ARG 13 -8.249 4.209 4.929 108 2HB ARG 13 1HB ARG 13 -8.349 2.624 4.167 109 1HG ARG 13 2HG ARG 13 -6.802 1.672 5.639 110 2HG ARG 13 1HG ARG 13 -6.080 3.228 6.047 111 1HD ARG 13 2HD ARG 13 -8.527 3.732 6.977 112 2HD ARG 13 1HD ARG 13 -8.571 1.966 7.120 113 HE ARG 13 HE ARG 13 -6.149 3.305 8.136 114 1HH1 ARG 13 1HH1 ARG 13 -7.343 0.513 8.792 115 2HH1 ARG 13 2HH1 ARG 13 -7.846 0.775 10.428 116 1HH2 ARG 13 1HH2 ARG 13 -7.600 4.228 10.230 117 2HH2 ARG 13 2HH2 ARG 13 -7.993 2.879 11.242 118 H ASN 14 HN ASN 14 -4.232 4.279 2.925 119 HA ASN 14 HA ASN 14 -3.957 6.818 4.360 120 1HB ASN 14 2HB ASN 14 -3.666 4.532 5.840 121 2HB ASN 14 1HB ASN 14 -2.008 4.791 5.297 122 1HD2 ASN 14 1HD2 ASN 14 -0.945 6.825 5.937 123 2HD2 ASN 14 2HD2 ASN 14 -1.547 7.749 7.227 124 H GLU 15 HN GLU 15 -2.707 7.970 2.959 125 HA GLU 15 HA GLU 15 -1.244 6.891 0.770 126 1HB GLU 15 2HB GLU 15 -2.107 9.321 1.529 127 2HB GLU 15 1HB GLU 15 -0.416 9.478 2.008 128 1HG GLU 15 2HG GLU 15 0.127 8.560 -0.353 129 2HG GLU 15 1HG GLU 15 -1.548 8.958 -0.738 130 H LYS 16 HN LYS 16 -0.220 7.675 4.073 131 HA LYS 16 HA LYS 16 2.583 7.494 3.736 132 1HB LYS 16 2HB LYS 16 1.176 8.292 5.723 133 2HB LYS 16 1HB LYS 16 1.028 6.587 6.154 134 1HG LYS 16 2HG LYS 16 3.259 6.393 6.719 135 2HG LYS 16 1HG LYS 16 3.764 7.647 5.585 136 1HD LYS 16 2HD LYS 16 2.776 9.371 7.043 137 2HD LYS 16 1HD LYS 16 2.262 8.122 8.177 138 1HE LYS 16 2HE LYS 16 4.893 7.493 7.986 139 2HE LYS 16 1HE LYS 16 4.976 9.246 7.717 140 1HZ LYS 16 1HZ LYS 16 4.973 8.546 10.113 141 2HZ LYS 16 2HZ LYS 16 3.375 8.013 9.890 142 3HZ LYS 16 3HZ LYS 16 3.756 9.654 9.688 143 H GLU 17 HN GLU 17 0.192 5.028 4.453 144 HA GLU 17 HA GLU 17 1.992 2.817 4.820 145 1HB GLU 17 2HB GLU 17 -0.914 3.214 4.156 146 2HB GLU 17 1HB GLU 17 -0.230 1.589 4.088 147 1HG GLU 17 2HG GLU 17 0.011 3.421 6.489 148 2HG GLU 17 1HG GLU 17 -1.223 2.172 6.322 149 H LEU 18 HN LEU 18 -0.024 3.677 1.989 150 HA LEU 18 HA LEU 18 0.939 1.757 0.163 151 1HB LEU 18 2HB LEU 18 -0.914 3.691 0.134 152 2HB LEU 18 1HB LEU 18 0.347 4.553 -0.742 153 HG LEU 18 HG LEU 18 0.485 2.707 -2.368 154 1HD1 LEU 18 1HD1 LEU 18 -0.829 1.240 -0.359 155 2HD1 LEU 18 2HD1 LEU 18 -0.415 0.657 -1.958 156 3HD1 LEU 18 3HD1 LEU 18 -1.998 1.367 -1.655 157 1HD2 LEU 18 1HD2 LEU 18 -2.123 4.085 -1.833 158 2HD2 LEU 18 2HD2 LEU 18 -2.018 2.927 -3.159 159 3HD2 LEU 18 3HD2 LEU 18 -0.973 4.347 -3.144 160 H ARG 19 HN ARG 19 2.321 4.907 1.030 161 HA ARG 19 HA ARG 19 4.375 4.936 -0.998 162 1HB ARG 19 2HB ARG 19 4.059 6.236 1.724 163 2HB ARG 19 1HB ARG 19 5.373 6.630 0.616 164 1HG ARG 19 2HG ARG 19 2.763 6.688 -0.709 165 2HG ARG 19 1HG ARG 19 2.845 7.812 0.646 166 1HD ARG 19 2HD ARG 19 5.027 7.672 -1.454 167 2HD ARG 19 1HD ARG 19 3.629 8.757 -1.597 168 HE ARG 19 HE ARG 19 5.438 8.796 0.791 169 1HH1 ARG 19 1HH1 ARG 19 5.577 10.590 -1.813 170 2HH1 ARG 19 2HH1 ARG 19 4.939 12.063 -1.164 171 1HH2 ARG 19 1HH2 ARG 19 3.722 10.574 1.722 172 2HH2 ARG 19 2HH2 ARG 19 3.890 12.054 0.839 173 H ASP 20 HN ASP 20 4.048 3.271 2.058 174 HA ASP 20 HA ASP 20 6.951 2.611 2.128 175 1HB ASP 20 2HB ASP 20 4.680 2.805 4.003 176 2HB ASP 20 1HB ASP 20 5.734 1.422 4.294 177 H PHE 21 HN PHE 21 3.803 1.187 1.450 178 HA PHE 21 HA PHE 21 4.617 -1.589 1.694 179 1HB PHE 21 2HB PHE 21 2.292 -0.803 1.810 180 2HB PHE 21 1HB PHE 21 2.347 -0.307 0.132 181 HD1 PHE 21 1HD PHE 21 2.226 -1.928 -1.664 182 HD2 PHE 21 2HD PHE 21 2.644 -3.164 2.419 183 HE1 PHE 21 1HE PHE 21 1.802 -4.279 -2.336 184 HE2 PHE 21 2HE PHE 21 2.193 -5.522 1.759 185 HZ PHE 21 HZ PHE 21 1.780 -6.076 -0.625 186 H ILE 22 HN ILE 22 3.547 -0.033 -1.328 187 HA ILE 22 HA ILE 22 4.704 -1.779 -3.167 188 HB ILE 22 HB ILE 22 4.269 1.222 -3.312 189 1HG1 ILE 22 2HG1 ILE 22 2.333 -0.103 -4.788 190 2HG1 ILE 22 1HG1 ILE 22 2.563 -1.172 -3.411 191 1HG2 ILE 22 1HG2 ILE 22 4.144 0.803 -5.779 192 2HG2 ILE 22 2HG2 ILE 22 4.696 -0.846 -5.490 193 3HG2 ILE 22 3HG2 ILE 22 5.756 0.516 -5.124 194 1HD1 ILE 22 1HD1 ILE 22 1.658 0.303 -1.951 195 2HD1 ILE 22 2HD1 ILE 22 0.923 0.993 -3.397 196 3HD1 ILE 22 3HD1 ILE 22 2.402 1.694 -2.744 197 H GLU 23 HN GLU 23 6.206 0.885 -1.422 198 HA GLU 23 HA GLU 23 8.700 0.924 -2.919 199 1HB GLU 23 2HB GLU 23 7.684 2.743 -1.450 200 2HB GLU 23 1HB GLU 23 8.178 1.782 -0.055 201 1HG GLU 23 2HG GLU 23 10.200 2.425 -2.180 202 2HG GLU 23 1HG GLU 23 9.782 3.655 -0.986 203 H LYS 24 HN LYS 24 7.491 -0.820 -0.096 204 HA LYS 24 HA LYS 24 10.118 -2.040 0.481 205 1HB LYS 24 2HB LYS 24 8.397 -1.336 2.200 206 2HB LYS 24 1HB LYS 24 7.361 -2.634 1.604 207 1HG LYS 24 2HG LYS 24 8.504 -3.607 3.434 208 2HG LYS 24 1HG LYS 24 9.387 -4.183 2.019 209 1HD LYS 24 2HD LYS 24 11.195 -3.417 3.199 210 2HD LYS 24 1HD LYS 24 10.727 -1.879 2.474 211 1HE LYS 24 2HE LYS 24 9.817 -1.066 4.454 212 2HE LYS 24 1HE LYS 24 9.433 -2.690 5.061 213 1HZ LYS 24 1HZ LYS 24 11.341 -1.954 6.239 214 2HZ LYS 24 2HZ LYS 24 12.116 -1.444 4.816 215 3HZ LYS 24 3HZ LYS 24 11.886 -3.099 5.108 216 H PHE 25 HN PHE 25 6.871 -3.159 -0.545 217 HA PHE 25 HA PHE 25 7.898 -5.793 -1.259 218 1HB PHE 25 2HB PHE 25 5.687 -5.381 -0.187 219 2HB PHE 25 1HB PHE 25 5.181 -4.508 -1.634 220 HD1 PHE 25 1HD PHE 25 3.729 -5.753 -2.934 221 HD2 PHE 25 2HD PHE 25 7.028 -7.721 -1.019 222 HE1 PHE 25 1HE PHE 25 3.074 -7.892 -4.008 223 HE2 PHE 25 2HE PHE 25 6.376 -9.863 -2.090 224 HZ PHE 25 HZ PHE 25 4.398 -9.947 -3.586 225 H LYS 26 HN LYS 26 9.310 -4.070 -2.812 226 HA LYS 26 HA LYS 26 8.188 -3.194 -5.265 227 1HB LYS 26 2HB LYS 26 10.931 -4.102 -4.394 228 2HB LYS 26 1HB LYS 26 10.637 -3.492 -6.023 229 1HG LYS 26 2HG LYS 26 9.449 -1.518 -4.681 230 2HG LYS 26 1HG LYS 26 10.561 -2.039 -3.412 231 1HD LYS 26 2HD LYS 26 12.311 -2.003 -5.415 232 2HD LYS 26 1HD LYS 26 11.163 -0.845 -6.088 233 1HE LYS 26 2HE LYS 26 11.289 0.216 -3.658 234 2HE LYS 26 1HE LYS 26 12.860 -0.610 -3.626 235 1HZ LYS 26 1HZ LYS 26 13.341 0.369 -5.811 236 2HZ LYS 26 2HZ LYS 26 13.120 1.560 -4.619 237 3HZ LYS 26 3HZ LYS 26 11.885 1.241 -5.737 238 H GLY 27 HN GLY 27 8.938 -6.395 -4.190 239 1HA GLY 27 2HA GLY 27 7.943 -8.310 -5.366 240 2HA GLY 27 1HA GLY 27 8.192 -7.444 -6.882 241 H ARG 28 HN ARG 28 10.828 -6.613 -6.614 242 HA ARG 28 HA ARG 28 12.419 -9.085 -6.092 243 1HB ARG 28 2HB ARG 28 11.471 -8.525 -8.560 244 2HB ARG 28 1HB ARG 28 12.957 -7.576 -8.601 245 1HG ARG 28 2HG ARG 28 13.642 -9.690 -9.384 246 2HG ARG 28 1HG ARG 28 14.097 -9.718 -7.680 247 1HD ARG 28 2HD ARG 28 12.206 -11.062 -7.091 248 2HD ARG 28 1HD ARG 28 11.435 -10.786 -8.666 249 HE ARG 28 HE ARG 28 13.749 -11.900 -9.475 250 1HH1 ARG 28 1HH1 ARG 28 10.978 -13.162 -8.249 251 2HH1 ARG 28 2HH1 ARG 28 11.660 -14.641 -7.661 252 1HH2 ARG 28 1HH2 ARG 28 14.942 -13.620 -8.118 253 2HH2 ARG 28 2HH2 ARG 28 13.904 -14.902 -7.587 Start of MODEL 30 1 1H GLU 1 1HT GLU 1 -15.038 2.815 1.867 2 2H GLU 1 2HT GLU 1 -15.676 2.938 0.296 3 3H GLU 1 3HT GLU 1 -16.716 2.882 1.638 4 HA GLU 1 HA GLU 1 -16.447 5.158 0.694 5 1HB GLU 1 2HB GLU 1 -17.147 4.600 3.014 6 2HB GLU 1 1HB GLU 1 -15.454 4.596 3.509 7 1HG GLU 1 2HG GLU 1 -15.418 7.005 2.479 8 2HG GLU 1 1HG GLU 1 -17.171 6.916 2.667 9 H GLN 2 HN GLN 2 -14.956 6.450 -0.306 10 HA GLN 2 HA GLN 2 -12.869 7.336 -0.980 11 1HB GLN 2 2HB GLN 2 -13.244 7.756 1.667 12 2HB GLN 2 1HB GLN 2 -11.763 6.802 1.736 13 1HG GLN 2 2HG GLN 2 -10.589 8.665 1.212 14 2HG GLN 2 1HG GLN 2 -11.375 8.663 -0.366 15 1HE2 GLN 2 1HE2 GLN 2 -12.773 9.319 2.892 16 2HE2 GLN 2 2HE2 GLN 2 -13.338 10.870 2.500 17 H TYR 3 HN TYR 3 -10.314 6.707 -0.035 18 HA TYR 3 HA TYR 3 -8.918 5.122 -1.483 19 1HB TYR 3 2HB TYR 3 -9.037 5.490 1.421 20 2HB TYR 3 1HB TYR 3 -8.140 4.048 0.942 21 HD1 TYR 3 1HD TYR 3 -8.251 7.682 0.901 22 HD2 TYR 3 2HD TYR 3 -6.226 4.206 -0.589 23 HE1 TYR 3 1HE TYR 3 -6.369 9.104 0.193 24 HE2 TYR 3 2HE TYR 3 -4.319 5.619 -1.303 25 HH TYR 3 HH TYR 3 -4.026 8.129 -1.944 26 H THR 4 HN THR 4 -8.670 3.155 -2.272 27 HA THR 4 HA THR 4 -9.704 0.774 -0.895 28 HB THR 4 HB THR 4 -10.579 1.252 -3.735 29 HG1 THR 4 1HG THR 4 -11.897 2.719 -3.063 30 1HG2 THR 4 1HG2 THR 4 -11.107 -0.650 -1.528 31 2HG2 THR 4 2HG2 THR 4 -11.192 -0.894 -3.274 32 3HG2 THR 4 3HG2 THR 4 -12.535 -0.129 -2.425 33 H ALA 5 HN ALA 5 -7.096 2.055 -2.054 34 HA ALA 5 HA ALA 5 -6.193 0.531 -4.277 35 1HB ALA 5 1HB ALA 5 -5.231 2.555 -2.758 36 2HB ALA 5 2HB ALA 5 -4.223 1.595 -3.843 37 3HB ALA 5 3HB ALA 5 -4.275 1.206 -2.119 38 H LYS 6 HN LYS 6 -6.109 -1.667 -4.291 39 HA LYS 6 HA LYS 6 -5.449 -3.087 -1.749 40 1HB LYS 6 2HB LYS 6 -6.449 -5.052 -2.933 41 2HB LYS 6 1HB LYS 6 -7.566 -3.704 -2.728 42 1HG LYS 6 2HG LYS 6 -7.584 -3.194 -4.981 43 2HG LYS 6 1HG LYS 6 -5.945 -3.794 -5.238 44 1HD LYS 6 2HD LYS 6 -7.143 -6.107 -4.550 45 2HD LYS 6 1HD LYS 6 -8.528 -5.271 -5.256 46 1HE LYS 6 2HE LYS 6 -5.860 -5.421 -6.684 47 2HE LYS 6 1HE LYS 6 -7.121 -6.651 -6.897 48 1HZ LYS 6 1HZ LYS 6 -8.695 -4.830 -7.374 49 2HZ LYS 6 2HZ LYS 6 -7.449 -4.928 -8.521 50 3HZ LYS 6 3HZ LYS 6 -7.407 -3.724 -7.322 51 H TYR 7 HN TYR 7 -3.732 -4.435 -1.606 52 HA TYR 7 HA TYR 7 -2.009 -4.837 -4.025 53 1HB TYR 7 2HB TYR 7 -1.293 -3.899 -1.241 54 2HB TYR 7 1HB TYR 7 -0.095 -4.474 -2.385 55 HD1 TYR 7 1HD TYR 7 0.712 -3.118 -4.077 56 HD2 TYR 7 2HD TYR 7 -2.816 -2.001 -1.930 57 HE1 TYR 7 1HE TYR 7 0.773 -0.902 -5.163 58 HE2 TYR 7 2HE TYR 7 -2.792 0.226 -2.995 59 HH TYR 7 HH TYR 7 -0.577 1.672 -4.181 60 H LYS 8 HN LYS 8 -1.990 -7.029 -4.318 61 HA LYS 8 HA LYS 8 -1.928 -9.344 -3.852 62 1HB LYS 8 2HB LYS 8 -0.260 -7.962 -1.795 63 2HB LYS 8 1HB LYS 8 -0.617 -9.668 -1.526 64 1HG LYS 8 2HG LYS 8 0.479 -8.601 -4.139 65 2HG LYS 8 1HG LYS 8 1.504 -9.219 -2.843 66 1HD LYS 8 2HD LYS 8 -0.769 -10.949 -3.674 67 2HD LYS 8 1HD LYS 8 0.563 -10.794 -4.819 68 1HE LYS 8 2HE LYS 8 2.167 -11.514 -3.117 69 2HE LYS 8 1HE LYS 8 0.876 -11.578 -1.899 70 1HZ LYS 8 1HZ LYS 8 -0.281 -13.210 -3.185 71 2HZ LYS 8 2HZ LYS 8 1.311 -13.755 -2.969 72 3HZ LYS 8 3HZ LYS 8 0.837 -13.086 -4.458 73 H GLY 9 HN GLY 9 -4.167 -7.564 -2.657 74 1HA GLY 9 2HA GLY 9 -6.200 -8.448 -1.688 75 2HA GLY 9 1HA GLY 9 -5.240 -9.668 -0.854 76 H ARG 10 HN ARG 10 -4.572 -6.174 -0.923 77 HA ARG 10 HA ARG 10 -5.465 -5.917 1.912 78 1HB ARG 10 2HB ARG 10 -2.654 -5.353 0.898 79 2HB ARG 10 1HB ARG 10 -3.225 -5.079 2.543 80 1HG ARG 10 2HG ARG 10 -3.775 -7.538 2.682 81 2HG ARG 10 1HG ARG 10 -2.974 -7.743 1.124 82 1HD ARG 10 2HD ARG 10 -1.184 -8.166 2.547 83 2HD ARG 10 1HD ARG 10 -1.019 -6.408 2.382 84 HE ARG 10 HE ARG 10 -2.718 -7.508 4.565 85 1HH1 ARG 10 1HH1 ARG 10 0.082 -7.729 5.384 86 2HH1 ARG 10 2HH1 ARG 10 0.426 -6.175 6.066 87 1HH2 ARG 10 1HH2 ARG 10 -2.314 -4.634 4.606 88 2HH2 ARG 10 2HH2 ARG 10 -0.930 -4.422 5.627 89 H THR 11 HN THR 11 -6.868 -4.159 1.607 90 HA THR 11 HA THR 11 -6.423 -2.101 -0.356 91 HB THR 11 HB THR 11 -8.187 -2.194 2.105 92 HG1 THR 11 1HG THR 11 -8.672 -2.728 -0.635 93 1HG2 THR 11 1HG2 THR 11 -8.097 0.092 1.526 94 2HG2 THR 11 2HG2 THR 11 -9.506 -0.494 0.641 95 3HG2 THR 11 3HG2 THR 11 -7.972 -0.256 -0.197 96 H PHE 12 HN PHE 12 -6.103 0.265 0.254 97 HA PHE 12 HA PHE 12 -4.392 0.579 2.696 98 1HB PHE 12 2HB PHE 12 -3.918 1.293 -0.195 99 2HB PHE 12 1HB PHE 12 -3.210 2.315 1.074 100 HD1 PHE 12 1HD PHE 12 -1.338 1.533 2.388 101 HD2 PHE 12 2HD PHE 12 -3.508 -1.104 -0.207 102 HE1 PHE 12 1HE PHE 12 0.407 -0.215 2.714 103 HE2 PHE 12 2HE PHE 12 -1.794 -2.863 0.162 104 HZ PHE 12 HZ PHE 12 0.164 -2.417 1.604 105 H ARG 13 HN ARG 13 -5.421 1.965 4.046 106 HA ARG 13 HA ARG 13 -7.208 4.066 2.907 107 1HB ARG 13 2HB ARG 13 -7.548 2.215 4.877 108 2HB ARG 13 1HB ARG 13 -6.991 3.592 5.830 109 1HG ARG 13 2HG ARG 13 -8.735 4.974 4.535 110 2HG ARG 13 1HG ARG 13 -9.409 3.424 4.028 111 1HD ARG 13 2HD ARG 13 -10.059 2.843 6.200 112 2HD ARG 13 1HD ARG 13 -8.862 3.921 6.948 113 HE ARG 13 HE ARG 13 -11.365 4.846 5.598 114 1HH1 ARG 13 1HH1 ARG 13 -8.452 6.204 6.267 115 2HH1 ARG 13 2HH1 ARG 13 -9.019 7.370 7.416 116 1HH2 ARG 13 1HH2 ARG 13 -12.185 5.979 7.663 117 2HH2 ARG 13 2HH2 ARG 13 -11.132 7.244 8.206 118 H ASN 14 HN ASN 14 -4.155 4.177 3.055 119 HA ASN 14 HA ASN 14 -3.971 6.912 4.105 120 1HB ASN 14 2HB ASN 14 -3.628 4.836 5.876 121 2HB ASN 14 1HB ASN 14 -1.971 5.119 5.342 122 1HD2 ASN 14 1HD2 ASN 14 -1.160 7.420 5.551 123 2HD2 ASN 14 2HD2 ASN 14 -1.797 8.401 6.781 124 H GLU 15 HN GLU 15 -2.619 7.945 2.698 125 HA GLU 15 HA GLU 15 -1.139 6.628 0.639 126 1HB GLU 15 2HB GLU 15 -2.014 9.102 1.024 127 2HB GLU 15 1HB GLU 15 -0.390 9.344 1.674 128 1HG GLU 15 2HG GLU 15 0.559 8.413 -0.432 129 2HG GLU 15 1HG GLU 15 -1.075 8.284 -1.084 130 H LYS 16 HN LYS 16 -0.167 7.811 3.847 131 HA LYS 16 HA LYS 16 2.631 7.566 3.628 132 1HB LYS 16 2HB LYS 16 1.094 8.492 5.499 133 2HB LYS 16 1HB LYS 16 1.064 6.830 6.089 134 1HG LYS 16 2HG LYS 16 2.926 7.503 7.235 135 2HG LYS 16 1HG LYS 16 3.727 7.129 5.709 136 1HD LYS 16 2HD LYS 16 2.798 9.724 5.318 137 2HD LYS 16 1HD LYS 16 3.310 9.726 7.005 138 1HE LYS 16 2HE LYS 16 5.400 10.092 6.153 139 2HE LYS 16 1HE LYS 16 5.378 8.360 5.758 140 1HZ LYS 16 1HZ LYS 16 5.784 9.553 3.747 141 2HZ LYS 16 2HZ LYS 16 4.484 10.608 4.032 142 3HZ LYS 16 3HZ LYS 16 4.192 8.973 3.676 143 H GLU 17 HN GLU 17 0.209 5.181 4.480 144 HA GLU 17 HA GLU 17 1.992 2.986 5.046 145 1HB GLU 17 2HB GLU 17 -0.890 3.127 4.092 146 2HB GLU 17 1HB GLU 17 -0.124 1.668 4.716 147 1HG GLU 17 2HG GLU 17 -0.374 4.267 6.255 148 2HG GLU 17 1HG GLU 17 -1.449 2.882 6.448 149 H LEU 18 HN LEU 18 0.047 3.788 2.174 150 HA LEU 18 HA LEU 18 0.970 1.708 0.475 151 1HB LEU 18 2HB LEU 18 -0.974 3.462 0.318 152 2HB LEU 18 1HB LEU 18 0.231 4.474 -0.475 153 HG LEU 18 HG LEU 18 0.633 2.665 -2.124 154 1HD1 LEU 18 1HD1 LEU 18 -0.564 1.019 -0.270 155 2HD1 LEU 18 2HD1 LEU 18 -0.285 0.582 -1.931 156 3HD1 LEU 18 3HD1 LEU 18 -1.848 1.219 -1.443 157 1HD2 LEU 18 1HD2 LEU 18 -2.305 2.967 -2.286 158 2HD2 LEU 18 2HD2 LEU 18 -1.059 3.441 -3.440 159 3HD2 LEU 18 3HD2 LEU 18 -1.420 4.475 -2.059 160 H ARG 19 HN ARG 19 2.204 5.034 0.912 161 HA ARG 19 HA ARG 19 4.234 4.947 -1.092 162 1HB ARG 19 2HB ARG 19 3.904 6.398 1.541 163 2HB ARG 19 1HB ARG 19 5.279 6.700 0.479 164 1HG ARG 19 2HG ARG 19 3.740 7.275 -1.361 165 2HG ARG 19 1HG ARG 19 2.363 6.981 -0.300 166 1HD ARG 19 2HD ARG 19 2.763 8.894 0.979 167 2HD ARG 19 1HD ARG 19 4.491 8.924 0.572 168 HE ARG 19 HE ARG 19 2.315 9.981 -1.099 169 1HH1 ARG 19 1HH1 ARG 19 5.018 11.272 -0.675 170 2HH1 ARG 19 2HH1 ARG 19 5.781 10.991 -2.205 171 1HH2 ARG 19 1HH2 ARG 19 3.523 8.549 -3.184 172 2HH2 ARG 19 2HH2 ARG 19 4.935 9.450 -3.625 173 H ASP 20 HN ASP 20 4.035 3.390 2.019 174 HA ASP 20 HA ASP 20 6.954 2.803 2.048 175 1HB ASP 20 2HB ASP 20 4.651 2.589 3.990 176 2HB ASP 20 1HB ASP 20 6.193 1.800 4.317 177 H PHE 21 HN PHE 21 3.785 1.242 1.698 178 HA PHE 21 HA PHE 21 4.619 -1.488 1.934 179 1HB PHE 21 2HB PHE 21 2.294 -0.726 1.979 180 2HB PHE 21 1HB PHE 21 2.381 -0.240 0.298 181 HD1 PHE 21 1HD PHE 21 2.250 -1.870 -1.481 182 HD2 PHE 21 2HD PHE 21 2.665 -3.091 2.605 183 HE1 PHE 21 1HE PHE 21 1.820 -4.224 -2.145 184 HE2 PHE 21 2HE PHE 21 2.212 -5.451 1.955 185 HZ PHE 21 HZ PHE 21 1.795 -6.014 -0.425 186 H ILE 22 HN ILE 22 3.610 -0.057 -1.168 187 HA ILE 22 HA ILE 22 4.797 -1.858 -2.925 188 HB ILE 22 HB ILE 22 4.409 1.143 -3.172 189 1HG1 ILE 22 2HG1 ILE 22 2.493 -0.183 -4.661 190 2HG1 ILE 22 1HG1 ILE 22 2.677 -1.236 -3.264 191 1HG2 ILE 22 1HG2 ILE 22 4.390 0.708 -5.612 192 2HG2 ILE 22 2HG2 ILE 22 4.803 -0.978 -5.302 193 3HG2 ILE 22 3HG2 ILE 22 5.954 0.298 -4.906 194 1HD1 ILE 22 1HD1 ILE 22 1.657 0.223 -1.899 195 2HD1 ILE 22 2HD1 ILE 22 1.119 1.036 -3.366 196 3HD1 ILE 22 3HD1 ILE 22 2.571 1.592 -2.536 197 H GLU 23 HN GLU 23 6.281 0.834 -1.212 198 HA GLU 23 HA GLU 23 8.792 0.937 -2.618 199 1HB GLU 23 2HB GLU 23 7.875 2.654 -1.048 200 2HB GLU 23 1HB GLU 23 8.126 1.533 0.289 201 1HG GLU 23 2HG GLU 23 10.513 1.923 -1.399 202 2HG GLU 23 1HG GLU 23 9.975 3.385 -0.575 203 H LYS 24 HN LYS 24 7.619 -0.982 0.123 204 HA LYS 24 HA LYS 24 10.213 -2.338 0.487 205 1HB LYS 24 2HB LYS 24 8.711 -1.758 2.374 206 2HB LYS 24 1HB LYS 24 7.449 -2.774 1.677 207 1HG LYS 24 2HG LYS 24 8.505 -4.128 3.330 208 2HG LYS 24 1HG LYS 24 9.145 -4.694 1.787 209 1HD LYS 24 2HD LYS 24 11.052 -2.989 2.178 210 2HD LYS 24 1HD LYS 24 10.492 -2.954 3.850 211 1HE LYS 24 2HE LYS 24 10.631 -5.563 3.705 212 2HE LYS 24 1HE LYS 24 11.690 -5.256 2.314 213 1HZ LYS 24 1HZ LYS 24 11.998 -4.015 4.998 214 2HZ LYS 24 2HZ LYS 24 13.027 -3.792 3.665 215 3HZ LYS 24 3HZ LYS 24 12.933 -5.310 4.417 216 H PHE 25 HN PHE 25 6.873 -3.360 -0.364 217 HA PHE 25 HA PHE 25 7.961 -5.802 -1.599 218 1HB PHE 25 2HB PHE 25 6.097 -5.830 0.088 219 2HB PHE 25 1HB PHE 25 5.103 -4.957 -1.081 220 HD1 PHE 25 1HD PHE 25 3.718 -6.223 -2.446 221 HD2 PHE 25 2HD PHE 25 7.369 -7.947 -0.991 222 HE1 PHE 25 1HE PHE 25 3.156 -8.363 -3.572 223 HE2 PHE 25 2HE PHE 25 6.810 -10.088 -2.113 224 HZ PHE 25 HZ PHE 25 4.703 -10.295 -3.405 225 H LYS 26 HN LYS 26 8.785 -4.051 -3.294 226 HA LYS 26 HA LYS 26 7.030 -2.766 -5.110 227 1HB LYS 26 2HB LYS 26 9.836 -3.692 -5.011 228 2HB LYS 26 1HB LYS 26 9.193 -3.441 -6.635 229 1HG LYS 26 2HG LYS 26 8.270 -1.198 -5.446 230 2HG LYS 26 1HG LYS 26 9.724 -1.459 -4.483 231 1HD LYS 26 2HD LYS 26 11.139 -1.115 -6.267 232 2HD LYS 26 1HD LYS 26 9.978 -1.735 -7.442 233 1HE LYS 26 2HE LYS 26 8.623 0.458 -6.622 234 2HE LYS 26 1HE LYS 26 10.286 1.027 -6.375 235 1HZ LYS 26 1HZ LYS 26 10.806 0.157 -8.622 236 2HZ LYS 26 2HZ LYS 26 9.691 1.439 -8.642 237 3HZ LYS 26 3HZ LYS 26 9.155 -0.159 -8.854 238 H GLY 27 HN GLY 27 7.804 -6.123 -4.785 239 1HA GLY 27 2HA GLY 27 6.701 -7.961 -5.800 240 2HA GLY 27 1HA GLY 27 5.837 -6.827 -6.837 241 H ARG 28 HN ARG 28 9.000 -8.373 -6.360 242 HA ARG 28 HA ARG 28 9.793 -7.682 -9.144 243 1HB ARG 28 2HB ARG 28 11.101 -8.661 -6.627 244 2HB ARG 28 1HB ARG 28 11.905 -8.962 -8.169 245 1HG ARG 28 2HG ARG 28 10.861 -6.211 -7.708 246 2HG ARG 28 1HG ARG 28 12.281 -6.691 -6.780 247 1HD ARG 28 2HD ARG 28 12.585 -7.540 -9.540 248 2HD ARG 28 1HD ARG 28 12.250 -5.799 -9.460 249 HE ARG 28 HE ARG 28 14.231 -5.504 -8.129 250 1HH1 ARG 28 1HH1 ARG 28 14.753 -7.940 -10.143 251 2HH1 ARG 28 2HH1 ARG 28 15.767 -8.901 -9.119 252 1HH2 ARG 28 1HH2 ARG 28 15.018 -7.109 -6.248 253 2HH2 ARG 28 2HH2 ARG 28 15.915 -8.433 -6.915 Start of MODEL 31 1 1H GLU 1 1HT GLU 1 -13.181 4.423 5.868 2 2H GLU 1 2HT GLU 1 -11.611 3.832 5.602 3 3H GLU 1 3HT GLU 1 -12.670 4.059 4.293 4 HA GLU 1 HA GLU 1 -12.691 6.498 4.863 5 1HB GLU 1 2HB GLU 1 -11.588 5.498 7.159 6 2HB GLU 1 1HB GLU 1 -10.146 6.060 6.314 7 1HG GLU 1 2HG GLU 1 -10.949 8.288 6.192 8 2HG GLU 1 1HG GLU 1 -12.598 7.801 6.583 9 H GLN 2 HN GLN 2 -11.252 7.805 3.573 10 HA GLN 2 HA GLN 2 -9.794 8.185 1.757 11 1HB GLN 2 2HB GLN 2 -8.433 6.956 3.881 12 2HB GLN 2 1HB GLN 2 -7.919 6.053 2.459 13 1HG GLN 2 2HG GLN 2 -6.445 7.736 2.107 14 2HG GLN 2 1HG GLN 2 -7.835 8.684 1.578 15 1HE2 GLN 2 1HE2 GLN 2 -9.153 9.419 3.827 16 2HE2 GLN 2 2HE2 GLN 2 -8.139 10.231 4.920 17 H TYR 3 HN TYR 3 -8.625 6.944 -0.120 18 HA TYR 3 HA TYR 3 -10.440 5.406 -1.577 19 1HB TYR 3 2HB TYR 3 -8.365 4.747 -2.894 20 2HB TYR 3 1HB TYR 3 -8.627 6.471 -2.654 21 HD1 TYR 3 1HD TYR 3 -6.807 7.722 -2.080 22 HD2 TYR 3 2HD TYR 3 -6.969 3.629 -0.794 23 HE1 TYR 3 1HE TYR 3 -4.592 7.961 -1.018 24 HE2 TYR 3 2HE TYR 3 -4.766 3.872 0.261 25 HH TYR 3 HH TYR 3 -2.737 5.339 -0.025 26 H THR 4 HN THR 4 -9.874 3.074 -2.415 27 HA THR 4 HA THR 4 -9.278 1.338 -0.040 28 HB THR 4 HB THR 4 -10.939 -0.202 -1.443 29 HG1 THR 4 1HG THR 4 -11.568 0.927 -3.110 30 1HG2 THR 4 1HG2 THR 4 -11.269 0.655 0.866 31 2HG2 THR 4 2HG2 THR 4 -12.766 0.645 -0.068 32 3HG2 THR 4 3HG2 THR 4 -11.900 2.159 0.192 33 H ALA 5 HN ALA 5 -7.323 2.167 -2.033 34 HA ALA 5 HA ALA 5 -6.829 0.434 -4.176 35 1HB ALA 5 1HB ALA 5 -5.553 2.492 -3.131 36 2HB ALA 5 2HB ALA 5 -4.659 1.282 -4.055 37 3HB ALA 5 3HB ALA 5 -4.641 1.231 -2.287 38 H LYS 6 HN LYS 6 -6.490 -1.765 -4.237 39 HA LYS 6 HA LYS 6 -5.664 -3.127 -1.699 40 1HB LYS 6 2HB LYS 6 -6.788 -5.111 -2.734 41 2HB LYS 6 1HB LYS 6 -7.877 -3.749 -2.476 42 1HG LYS 6 2HG LYS 6 -7.869 -3.162 -4.771 43 2HG LYS 6 1HG LYS 6 -6.453 -4.158 -5.105 44 1HD LYS 6 2HD LYS 6 -7.749 -6.194 -4.664 45 2HD LYS 6 1HD LYS 6 -9.164 -5.222 -4.257 46 1HE LYS 6 2HE LYS 6 -7.818 -4.904 -6.942 47 2HE LYS 6 1HE LYS 6 -9.030 -6.173 -6.672 48 1HZ LYS 6 1HZ LYS 6 -10.489 -4.432 -5.719 49 2HZ LYS 6 2HZ LYS 6 -10.164 -4.201 -7.371 50 3HZ LYS 6 3HZ LYS 6 -9.364 -3.258 -6.204 51 H TYR 7 HN TYR 7 -3.947 -4.538 -1.729 52 HA TYR 7 HA TYR 7 -2.466 -4.890 -4.316 53 1HB TYR 7 2HB TYR 7 -1.485 -4.108 -1.570 54 2HB TYR 7 1HB TYR 7 -0.409 -4.607 -2.872 55 HD1 TYR 7 1HD TYR 7 0.226 -3.126 -4.547 56 HD2 TYR 7 2HD TYR 7 -3.080 -2.169 -2.011 57 HE1 TYR 7 1HE TYR 7 0.181 -0.838 -5.491 58 HE2 TYR 7 2HE TYR 7 -3.162 0.121 -2.944 59 HH TYR 7 HH TYR 7 -2.093 1.046 -5.608 60 H LYS 8 HN LYS 8 -2.548 -7.075 -4.679 61 HA LYS 8 HA LYS 8 -2.484 -9.412 -4.284 62 1HB LYS 8 2HB LYS 8 -0.242 -8.111 -3.280 63 2HB LYS 8 1HB LYS 8 -0.746 -9.128 -1.929 64 1HG LYS 8 2HG LYS 8 0.632 -10.581 -3.136 65 2HG LYS 8 1HG LYS 8 -0.964 -10.989 -3.767 66 1HD LYS 8 2HD LYS 8 -0.575 -9.976 -5.803 67 2HD LYS 8 1HD LYS 8 0.534 -8.787 -5.117 68 1HE LYS 8 2HE LYS 8 2.059 -10.898 -4.664 69 2HE LYS 8 1HE LYS 8 1.088 -11.616 -5.965 70 1HZ LYS 8 1HZ LYS 8 1.501 -9.530 -7.245 71 2HZ LYS 8 2HZ LYS 8 2.888 -10.476 -6.989 72 3HZ LYS 8 3HZ LYS 8 2.626 -9.078 -6.059 73 H GLY 9 HN GLY 9 -4.452 -7.691 -2.640 74 1HA GLY 9 2HA GLY 9 -6.241 -8.658 -1.307 75 2HA GLY 9 1HA GLY 9 -5.081 -9.808 -0.645 76 H ARG 10 HN ARG 10 -4.563 -6.306 -0.928 77 HA ARG 10 HA ARG 10 -4.903 -5.995 2.022 78 1HB ARG 10 2HB ARG 10 -2.410 -5.361 0.409 79 2HB ARG 10 1HB ARG 10 -2.635 -4.968 2.113 80 1HG ARG 10 2HG ARG 10 -3.009 -7.414 2.557 81 2HG ARG 10 1HG ARG 10 -2.568 -7.732 0.879 82 1HD ARG 10 2HD ARG 10 -0.360 -6.661 1.261 83 2HD ARG 10 1HD ARG 10 -0.800 -6.395 2.959 84 HE ARG 10 HE ARG 10 -0.941 -8.851 3.228 85 1HH1 ARG 10 1HH2 ARG 10 -1.303 -9.671 0.399 86 2HH1 ARG 10 2HH2 ARG 10 0.275 -10.234 -0.038 87 1HH2 ARG 10 1HH1 ARG 10 1.855 -8.689 2.636 88 2HH2 ARG 10 2HH1 ARG 10 2.064 -9.677 1.228 89 H THR 11 HN THR 11 -6.502 -4.385 1.902 90 HA THR 11 HA THR 11 -6.515 -2.326 -0.133 91 HB THR 11 HB THR 11 -7.943 -2.462 2.533 92 HG1 THR 11 1HG THR 11 -8.622 -3.434 -0.044 93 1HG2 THR 11 1HG2 THR 11 -9.619 -1.060 1.283 94 2HG2 THR 11 2HG2 THR 11 -8.451 -0.940 -0.035 95 3HG2 THR 11 3HG2 THR 11 -8.069 -0.255 1.544 96 H PHE 12 HN PHE 12 -6.348 0.041 0.388 97 HA PHE 12 HA PHE 12 -4.507 0.616 2.681 98 1HB PHE 12 2HB PHE 12 -4.279 1.262 -0.262 99 2HB PHE 12 1HB PHE 12 -3.496 2.299 0.947 100 HD1 PHE 12 1HD PHE 12 -1.637 1.468 2.314 101 HD2 PHE 12 2HD PHE 12 -3.697 -1.034 -0.505 102 HE1 PHE 12 1HE PHE 12 0.170 -0.234 2.509 103 HE2 PHE 12 2HE PHE 12 -1.902 -2.744 -0.295 104 HZ PHE 12 HZ PHE 12 0.029 -2.342 1.208 105 H ARG 13 HN ARG 13 -5.264 2.234 3.940 106 HA ARG 13 HA ARG 13 -7.281 4.132 2.785 107 1HB ARG 13 2HB ARG 13 -6.914 2.927 5.545 108 2HB ARG 13 1HB ARG 13 -8.063 4.221 5.200 109 1HG ARG 13 2HG ARG 13 -9.330 2.848 3.726 110 2HG ARG 13 1HG ARG 13 -8.054 1.634 3.638 111 1HD ARG 13 2HD ARG 13 -8.860 2.052 6.405 112 2HD ARG 13 1HD ARG 13 -10.252 1.610 5.397 113 HE ARG 13 HE ARG 13 -7.755 -0.006 5.658 114 1HH1 ARG 13 1HH2 ARG 13 -9.755 0.184 3.152 115 2HH1 ARG 13 2HH2 ARG 13 -10.543 -1.346 3.345 116 1HH2 ARG 13 1HH1 ARG 13 -9.302 -1.879 6.539 117 2HH2 ARG 13 2HH1 ARG 13 -10.287 -2.514 5.263 118 H ASN 14 HN ASN 14 -4.288 4.360 2.863 119 HA ASN 14 HA ASN 14 -4.129 7.088 3.902 120 1HB ASN 14 2HB ASN 14 -3.940 5.760 5.962 121 2HB ASN 14 1HB ASN 14 -2.625 4.819 5.255 122 1HD2 ASN 14 1HD2 ASN 14 -3.479 8.257 5.867 123 2HD2 ASN 14 2HD2 ASN 14 -1.906 8.737 6.292 124 H GLU 15 HN GLU 15 -2.214 8.137 3.162 125 HA GLU 15 HA GLU 15 -0.993 6.960 0.784 126 1HB GLU 15 2HB GLU 15 -1.659 9.425 1.469 127 2HB GLU 15 1HB GLU 15 -0.036 9.452 2.158 128 1HG GLU 15 2HG GLU 15 0.976 8.992 0.043 129 2HG GLU 15 1HG GLU 15 -0.575 8.568 -0.683 130 H LYS 16 HN LYS 16 0.240 7.966 3.994 131 HA LYS 16 HA LYS 16 2.949 7.350 3.690 132 1HB LYS 16 2HB LYS 16 1.459 8.333 5.641 133 2HB LYS 16 1HB LYS 16 1.507 6.665 6.217 134 1HG LYS 16 2HG LYS 16 3.420 7.451 7.238 135 2HG LYS 16 1HG LYS 16 4.114 6.967 5.690 136 1HD LYS 16 2HD LYS 16 3.640 9.335 4.877 137 2HD LYS 16 1HD LYS 16 3.291 9.746 6.557 138 1HE LYS 16 2HE LYS 16 5.669 8.488 6.894 139 2HE LYS 16 1HE LYS 16 5.904 9.157 5.267 140 1HZ LYS 16 1HZ LYS 16 6.475 10.746 7.058 141 2HZ LYS 16 2HZ LYS 16 4.860 10.702 7.581 142 3HZ LYS 16 3HZ LYS 16 5.242 11.310 6.041 143 H GLU 17 HN GLU 17 0.309 5.220 4.569 144 HA GLU 17 HA GLU 17 1.808 2.847 5.134 145 1HB GLU 17 2HB GLU 17 -0.986 3.268 4.022 146 2HB GLU 17 1HB GLU 17 -0.400 1.751 4.696 147 1HG GLU 17 2HG GLU 17 -0.524 4.376 6.197 148 2HG GLU 17 1HG GLU 17 -1.706 3.075 6.332 149 H LEU 18 HN LEU 18 -0.154 3.493 2.233 150 HA LEU 18 HA LEU 18 0.799 1.365 0.670 151 1HB LEU 18 2HB LEU 18 -1.195 2.890 0.317 152 2HB LEU 18 1HB LEU 18 -0.071 4.084 -0.335 153 HG LEU 18 HG LEU 18 0.710 2.320 -1.966 154 1HD1 LEU 18 1HD1 LEU 18 -0.440 0.505 -0.419 155 2HD1 LEU 18 2HD1 LEU 18 -0.377 0.275 -2.155 156 3HD1 LEU 18 3HD1 LEU 18 -1.850 0.874 -1.395 157 1HD2 LEU 18 1HD2 LEU 18 -2.240 2.702 -2.340 158 2HD2 LEU 18 2HD2 LEU 18 -0.931 2.914 -3.502 159 3HD2 LEU 18 3HD2 LEU 18 -1.207 4.129 -2.256 160 H ARG 19 HN ARG 19 1.915 4.786 0.455 161 HA ARG 19 HA ARG 19 3.905 4.423 -1.502 162 1HB ARG 19 2HB ARG 19 3.739 6.204 0.950 163 2HB ARG 19 1HB ARG 19 4.996 6.391 -0.273 164 1HG ARG 19 2HG ARG 19 2.917 6.356 -1.925 165 2HG ARG 19 1HG ARG 19 2.055 6.901 -0.486 166 1HD ARG 19 2HD ARG 19 2.762 8.932 -1.468 167 2HD ARG 19 1HD ARG 19 4.043 8.619 -0.281 168 HE ARG 19 HE ARG 19 5.301 7.499 -2.190 169 1HH1 ARG 19 1HH1 ARG 19 4.817 10.591 -2.395 170 2HH1 ARG 19 2HH1 ARG 19 4.522 10.724 -4.097 171 1HH2 ARG 19 1HH2 ARG 19 4.052 7.320 -4.553 172 2HH2 ARG 19 2HH2 ARG 19 4.091 8.873 -5.318 173 H ASP 20 HN ASP 20 3.974 3.587 1.923 174 HA ASP 20 HA ASP 20 6.836 2.932 1.982 175 1HB ASP 20 2HB ASP 20 5.553 3.660 3.976 176 2HB ASP 20 1HB ASP 20 4.493 2.258 3.811 177 H PHE 21 HN PHE 21 3.739 1.236 1.739 178 HA PHE 21 HA PHE 21 4.637 -1.490 1.626 179 1HB PHE 21 2HB PHE 21 2.311 -0.875 1.891 180 2HB PHE 21 1HB PHE 21 2.306 0.020 0.383 181 HD1 PHE 21 1HD PHE 21 1.959 -1.076 -1.729 182 HD2 PHE 21 2HD PHE 21 2.737 -3.319 1.855 183 HE1 PHE 21 1HE PHE 21 1.437 -3.196 -2.926 184 HE2 PHE 21 2HE PHE 21 2.188 -5.438 0.661 185 HZ PHE 21 HZ PHE 21 1.543 -5.367 -1.735 186 H ILE 22 HN ILE 22 3.603 0.615 -0.994 187 HA ILE 22 HA ILE 22 4.250 -0.800 -3.286 188 HB ILE 22 HB ILE 22 4.538 2.158 -2.664 189 1HG1 ILE 22 2HG1 ILE 22 2.298 1.101 -2.206 190 2HG1 ILE 22 1HG1 ILE 22 2.239 2.312 -3.482 191 1HG2 ILE 22 1HG2 ILE 22 4.315 2.553 -5.054 192 2HG2 ILE 22 2HG2 ILE 22 4.150 0.823 -5.355 193 3HG2 ILE 22 3HG2 ILE 22 5.686 1.475 -4.785 194 1HD1 ILE 22 1HD1 ILE 22 1.555 -0.480 -3.583 195 2HD1 ILE 22 2HD1 ILE 22 2.831 -0.143 -4.747 196 3HD1 ILE 22 3HD1 ILE 22 1.319 0.762 -4.810 197 H GLU 23 HN GLU 23 6.430 0.929 -1.137 198 HA GLU 23 HA GLU 23 8.771 0.488 -2.915 199 1HB GLU 23 2HB GLU 23 8.396 1.819 -0.209 200 2HB GLU 23 1HB GLU 23 9.901 1.826 -1.129 201 1HG GLU 23 2HG GLU 23 7.269 2.895 -2.183 202 2HG GLU 23 1HG GLU 23 8.521 3.900 -1.453 203 H LYS 24 HN LYS 24 7.512 -0.526 0.260 204 HA LYS 24 HA LYS 24 9.762 -2.136 1.047 205 1HB LYS 24 2HB LYS 24 7.719 -1.250 2.375 206 2HB LYS 24 1HB LYS 24 6.867 -2.661 1.748 207 1HG LYS 24 2HG LYS 24 9.552 -3.132 2.951 208 2HG LYS 24 1HG LYS 24 8.239 -2.730 4.058 209 1HD LYS 24 2HD LYS 24 6.909 -4.581 3.272 210 2HD LYS 24 1HD LYS 24 8.038 -4.902 1.955 211 1HE LYS 24 2HE LYS 24 9.010 -4.962 4.810 212 2HE LYS 24 1HE LYS 24 8.212 -6.380 4.102 213 1HZ LYS 24 1HZ LYS 24 10.463 -4.913 2.833 214 2HZ LYS 24 2HZ LYS 24 9.742 -6.342 2.272 215 3HZ LYS 24 3HZ LYS 24 10.639 -6.354 3.715 216 H PHE 25 HN PHE 25 6.807 -2.856 -0.799 217 HA PHE 25 HA PHE 25 7.006 -5.651 -0.993 218 1HB PHE 25 2HB PHE 25 5.057 -4.414 -1.700 219 2HB PHE 25 1HB PHE 25 5.994 -3.527 -2.898 220 HD1 PHE 25 1HD PHE 25 5.370 -4.135 -5.034 221 HD2 PHE 25 2HD PHE 25 5.719 -7.181 -2.029 222 HE1 PHE 25 1HE PHE 25 4.883 -5.863 -6.741 223 HE2 PHE 25 2HE PHE 25 5.230 -8.918 -3.735 224 HZ PHE 25 HZ PHE 25 4.810 -8.259 -6.090 225 H LYS 26 HN LYS 26 7.531 -4.236 -4.124 226 HA LYS 26 HA LYS 26 10.359 -4.972 -4.229 227 1HB LYS 26 2HB LYS 26 9.960 -7.019 -5.152 228 2HB LYS 26 1HB LYS 26 8.295 -6.784 -4.642 229 1HG LYS 26 2HG LYS 26 7.676 -5.911 -6.801 230 2HG LYS 26 1HG LYS 26 9.356 -5.909 -7.340 231 1HD LYS 26 2HD LYS 26 8.075 -8.463 -6.390 232 2HD LYS 26 1HD LYS 26 7.811 -7.900 -8.040 233 1HE LYS 26 2HE LYS 26 9.779 -8.903 -8.573 234 2HE LYS 26 1HE LYS 26 10.586 -7.631 -7.635 235 1HZ LYS 26 1HZ LYS 26 9.488 -10.165 -6.534 236 2HZ LYS 26 2HZ LYS 26 10.229 -8.937 -5.627 237 3HZ LYS 26 3HZ LYS 26 11.136 -9.820 -6.761 238 H GLY 27 HN GLY 27 7.497 -4.108 -6.079 239 1HA GLY 27 2HA GLY 27 7.132 -2.554 -7.791 240 2HA GLY 27 1HA GLY 27 8.486 -1.650 -7.106 241 H ARG 28 HN ARG 28 7.891 -4.585 -9.070 242 HA ARG 28 HA ARG 28 10.104 -3.729 -10.885 243 1HB ARG 28 2HB ARG 28 10.763 -5.375 -8.997 244 2HB ARG 28 1HB ARG 28 9.807 -6.564 -9.883 245 1HG ARG 28 2HG ARG 28 12.008 -6.845 -10.715 246 2HG ARG 28 1HG ARG 28 11.193 -5.877 -11.945 247 1HD ARG 28 2HD ARG 28 13.315 -4.805 -11.546 248 2HD ARG 28 1HD ARG 28 12.107 -3.813 -10.707 249 HE ARG 28 HE ARG 28 12.774 -4.877 -8.602 250 1HH1 ARG 28 1HH1 ARG 28 15.245 -4.182 -10.580 251 2HH1 ARG 28 2HH1 ARG 28 16.331 -5.418 -10.042 252 1HH2 ARG 28 1HH2 ARG 28 13.912 -7.126 -8.236 253 2HH2 ARG 28 2HH2 ARG 28 15.576 -7.086 -8.715 Start of MODEL 32 1 1H GLU 1 1HT GLU 1 -16.729 7.795 1.771 2 2H GLU 1 2HT GLU 1 -15.641 9.087 1.594 3 3H GLU 1 3HT GLU 1 -15.073 7.549 2.038 4 HA GLU 1 HA GLU 1 -15.818 6.675 -0.140 5 1HB GLU 1 2HB GLU 1 -17.551 8.554 -0.227 6 2HB GLU 1 1HB GLU 1 -16.236 9.615 -0.735 7 1HG GLU 1 2HG GLU 1 -16.960 8.923 -2.811 8 2HG GLU 1 1HG GLU 1 -15.816 7.625 -2.473 9 H GLN 2 HN GLN 2 -13.447 6.426 0.522 10 HA GLN 2 HA GLN 2 -11.741 8.123 -1.250 11 1HB GLN 2 2HB GLN 2 -11.908 8.558 1.418 12 2HB GLN 2 1HB GLN 2 -10.655 7.317 1.402 13 1HG GLN 2 2HG GLN 2 -9.112 8.698 0.415 14 2HG GLN 2 1HG GLN 2 -10.324 9.448 -0.630 15 1HE2 GLN 2 1HE2 GLN 2 -8.531 9.829 2.313 16 2HE2 GLN 2 2HE2 GLN 2 -9.285 11.257 2.836 17 H TYR 3 HN TYR 3 -9.352 6.927 -0.423 18 HA TYR 3 HA TYR 3 -8.483 5.039 -1.976 19 1HB TYR 3 2HB TYR 3 -8.208 5.537 0.902 20 2HB TYR 3 1HB TYR 3 -7.683 3.925 0.419 21 HD1 TYR 3 1HD TYR 3 -7.074 7.504 0.151 22 HD2 TYR 3 2HD TYR 3 -5.908 3.617 -1.246 23 HE1 TYR 3 1HE TYR 3 -5.016 8.474 -0.787 24 HE2 TYR 3 2HE TYR 3 -3.839 4.572 -2.191 25 HH TYR 3 HH TYR 3 -2.403 6.516 -1.908 26 H THR 4 HN THR 4 -8.670 2.981 -2.580 27 HA THR 4 HA THR 4 -10.052 0.986 -0.936 28 HB THR 4 HB THR 4 -11.095 1.427 -3.724 29 HG1 THR 4 1HG THR 4 -11.803 3.278 -3.021 30 1HG2 THR 4 1HG2 THR 4 -11.747 -0.169 -1.323 31 2HG2 THR 4 2HG2 THR 4 -12.097 -0.490 -3.024 32 3HG2 THR 4 3HG2 THR 4 -13.138 0.593 -2.100 33 H ALA 5 HN ALA 5 -7.367 1.590 -2.410 34 HA ALA 5 HA ALA 5 -7.007 -0.288 -4.526 35 1HB ALA 5 1HB ALA 5 -5.551 1.670 -3.539 36 2HB ALA 5 2HB ALA 5 -4.742 0.275 -4.258 37 3HB ALA 5 3HB ALA 5 -4.895 0.401 -2.504 38 H LYS 6 HN LYS 6 -4.894 -1.922 -3.627 39 HA LYS 6 HA LYS 6 -5.429 -3.352 -1.217 40 1HB LYS 6 2HB LYS 6 -7.532 -3.912 -2.360 41 2HB LYS 6 1HB LYS 6 -6.632 -4.548 -3.734 42 1HG LYS 6 2HG LYS 6 -5.663 -6.298 -2.316 43 2HG LYS 6 1HG LYS 6 -6.479 -5.629 -0.902 44 1HD LYS 6 2HD LYS 6 -8.092 -6.390 -3.320 45 2HD LYS 6 1HD LYS 6 -7.573 -7.640 -2.189 46 1HE LYS 6 2HE LYS 6 -8.946 -6.871 -0.500 47 2HE LYS 6 1HE LYS 6 -8.804 -5.180 -1.018 48 1HZ LYS 6 1HZ LYS 6 -10.995 -6.176 -1.542 49 2HZ LYS 6 2HZ LYS 6 -10.215 -7.288 -2.563 50 3HZ LYS 6 3HZ LYS 6 -10.163 -5.631 -2.919 51 H TYR 7 HN TYR 7 -4.023 -3.405 -4.419 52 HA TYR 7 HA TYR 7 -2.072 -4.377 -5.259 53 1HB TYR 7 2HB TYR 7 -1.545 -4.109 -2.292 54 2HB TYR 7 1HB TYR 7 -0.277 -4.409 -3.489 55 HD1 TYR 7 1HD TYR 7 0.486 -2.648 -4.934 56 HD2 TYR 7 2HD TYR 7 -2.920 -2.094 -2.401 57 HE1 TYR 7 1HE TYR 7 0.481 -0.237 -5.479 58 HE2 TYR 7 2HE TYR 7 -2.966 0.294 -2.935 59 HH TYR 7 HH TYR 7 -2.172 1.790 -4.773 60 H LYS 8 HN LYS 8 -1.668 -6.122 -2.200 61 HA LYS 8 HA LYS 8 -1.867 -8.678 -3.701 62 1HB LYS 8 2HB LYS 8 -0.438 -7.578 -1.401 63 2HB LYS 8 1HB LYS 8 -1.167 -9.137 -1.017 64 1HG LYS 8 2HG LYS 8 0.321 -8.814 -3.605 65 2HG LYS 8 1HG LYS 8 1.228 -9.049 -2.110 66 1HD LYS 8 2HD LYS 8 -0.039 -11.105 -1.646 67 2HD LYS 8 1HD LYS 8 -0.977 -10.868 -3.121 68 1HE LYS 8 2HE LYS 8 1.236 -10.902 -4.396 69 2HE LYS 8 1HE LYS 8 1.983 -11.478 -2.891 70 1HZ LYS 8 1HZ LYS 8 -0.403 -12.712 -4.163 71 2HZ LYS 8 2HZ LYS 8 0.438 -13.290 -2.803 72 3HZ LYS 8 3HZ LYS 8 1.180 -13.307 -4.327 73 H GLY 9 HN GLY 9 -2.953 -7.487 -0.510 74 1HA GLY 9 2HA GLY 9 -5.698 -8.319 -0.930 75 2HA GLY 9 1HA GLY 9 -4.829 -9.437 0.128 76 H ARG 10 HN ARG 10 -4.202 -5.983 -0.091 77 HA ARG 10 HA ARG 10 -5.444 -5.554 2.604 78 1HB ARG 10 2HB ARG 10 -2.635 -4.804 1.698 79 2HB ARG 10 1HB ARG 10 -3.336 -4.432 3.276 80 1HG ARG 10 2HG ARG 10 -3.573 -6.833 3.764 81 2HG ARG 10 1HG ARG 10 -2.911 -7.229 2.178 82 1HD ARG 10 2HD ARG 10 -0.897 -7.288 3.254 83 2HD ARG 10 1HD ARG 10 -0.991 -5.517 3.225 84 HE ARG 10 HE ARG 10 -2.235 -7.055 5.461 85 1HH1 ARG 10 1HH2 ARG 10 -1.771 -3.949 4.770 86 2HH1 ARG 10 2HH2 ARG 10 -0.678 -3.571 6.059 87 1HH2 ARG 10 1HH1 ARG 10 -0.103 -6.886 6.898 88 2HH2 ARG 10 2HH1 ARG 10 0.267 -5.234 7.263 89 H THR 11 HN THR 11 -7.014 -4.000 1.903 90 HA THR 11 HA THR 11 -6.420 -2.067 -0.159 91 HB THR 11 HB THR 11 -8.561 -1.963 1.985 92 HG1 THR 11 1HG THR 11 -9.039 -3.788 1.007 93 1HG2 THR 11 1HG2 THR 11 -9.169 -0.066 0.952 94 2HG2 THR 11 2HG2 THR 11 -9.399 -0.975 -0.540 95 3HG2 THR 11 3HG2 THR 11 -7.835 -0.232 -0.194 96 H PHE 12 HN PHE 12 -5.233 -0.269 0.030 97 HA PHE 12 HA PHE 12 -4.263 0.594 2.675 98 1HB PHE 12 2HB PHE 12 -3.709 1.323 -0.209 99 2HB PHE 12 1HB PHE 12 -2.890 2.102 1.153 100 HD1 PHE 12 1HD PHE 12 -1.192 0.965 2.410 101 HD2 PHE 12 2HD PHE 12 -3.528 -1.125 -0.544 102 HE1 PHE 12 1HE PHE 12 0.363 -0.971 2.536 103 HE2 PHE 12 2HE PHE 12 -1.984 -3.074 -0.388 104 HZ PHE 12 HZ PHE 12 -0.042 -2.985 1.142 105 H ARG 13 HN ARG 13 -5.544 1.983 3.804 106 HA ARG 13 HA ARG 13 -7.227 3.969 2.345 107 1HB ARG 13 2HB ARG 13 -7.562 2.258 4.580 108 2HB ARG 13 1HB ARG 13 -7.516 3.894 5.235 109 1HG ARG 13 2HG ARG 13 -9.318 4.602 3.805 110 2HG ARG 13 1HG ARG 13 -9.258 3.096 2.889 111 1HD ARG 13 2HD ARG 13 -9.606 2.620 5.763 112 2HD ARG 13 1HD ARG 13 -10.926 3.575 5.063 113 HE ARG 13 HE ARG 13 -10.019 1.143 3.618 114 1HH1 ARG 13 1HH1 ARG 13 -12.567 3.216 4.001 115 2HH1 ARG 13 2HH1 ARG 13 -13.777 2.002 4.255 116 1HH2 ARG 13 1HH2 ARG 13 -11.494 -0.591 4.555 117 2HH2 ARG 13 2HH2 ARG 13 -13.170 -0.151 4.566 118 H ASN 14 HN ASN 14 -4.307 4.296 2.589 119 HA ASN 14 HA ASN 14 -4.259 7.015 3.670 120 1HB ASN 14 2HB ASN 14 -4.050 5.204 5.565 121 2HB ASN 14 1HB ASN 14 -2.409 5.017 4.952 122 1HD2 ASN 14 1HD2 ASN 14 -0.894 6.448 5.779 123 2HD2 ASN 14 2HD2 ASN 14 -1.258 7.905 6.566 124 H GLU 15 HN GLU 15 -2.136 8.033 3.212 125 HA GLU 15 HA GLU 15 -0.883 6.894 0.788 126 1HB GLU 15 2HB GLU 15 -1.674 9.358 1.452 127 2HB GLU 15 1HB GLU 15 -0.035 9.446 2.099 128 1HG GLU 15 2HG GLU 15 0.841 8.697 -0.113 129 2HG GLU 15 1HG GLU 15 -0.806 8.733 -0.746 130 H LYS 16 HN LYS 16 0.067 7.877 4.079 131 HA LYS 16 HA LYS 16 2.845 7.414 3.889 132 1HB LYS 16 2HB LYS 16 0.935 7.084 6.210 133 2HB LYS 16 1HB LYS 16 2.684 7.252 6.365 134 1HG LYS 16 2HG LYS 16 1.213 9.330 4.794 135 2HG LYS 16 1HG LYS 16 1.080 9.372 6.552 136 1HD LYS 16 2HD LYS 16 3.407 9.665 6.839 137 2HD LYS 16 1HD LYS 16 3.763 9.137 5.194 138 1HE LYS 16 2HE LYS 16 1.990 11.522 5.473 139 2HE LYS 16 1HE LYS 16 3.712 11.745 5.842 140 1HZ LYS 16 1HZ LYS 16 4.283 10.708 3.752 141 2HZ LYS 16 2HZ LYS 16 3.247 12.023 3.463 142 3HZ LYS 16 3HZ LYS 16 2.648 10.435 3.395 143 H GLU 17 HN GLU 17 0.215 5.238 4.683 144 HA GLU 17 HA GLU 17 1.759 2.930 5.408 145 1HB GLU 17 2HB GLU 17 -1.009 3.649 4.672 146 2HB GLU 17 1HB GLU 17 -0.590 1.983 4.292 147 1HG GLU 17 2HG GLU 17 -0.296 3.317 6.995 148 2HG GLU 17 1HG GLU 17 -1.532 2.143 6.536 149 H LEU 18 HN LEU 18 -0.153 3.323 2.455 150 HA LEU 18 HA LEU 18 0.918 1.263 0.936 151 1HB LEU 18 2HB LEU 18 -1.065 2.731 0.477 152 2HB LEU 18 1HB LEU 18 0.049 3.989 -0.057 153 HG LEU 18 HG LEU 18 0.970 2.340 -1.722 154 1HD1 LEU 18 1HD1 LEU 18 -0.110 0.379 -0.347 155 2HD1 LEU 18 2HD1 LEU 18 -0.065 0.266 -2.098 156 3HD1 LEU 18 3HD1 LEU 18 -1.546 0.757 -1.283 157 1HD2 LEU 18 1HD2 LEU 18 -1.885 2.475 -2.440 158 2HD2 LEU 18 2HD2 LEU 18 -0.486 3.175 -3.253 159 3HD2 LEU 18 3HD2 LEU 18 -1.215 4.008 -1.881 160 H ARG 19 HN ARG 19 2.150 4.648 1.011 161 HA ARG 19 HA ARG 19 4.178 4.371 -0.948 162 1HB ARG 19 2HB ARG 19 3.913 5.972 1.607 163 2HB ARG 19 1HB ARG 19 5.317 6.153 0.557 164 1HG ARG 19 2HG ARG 19 2.651 6.252 -0.759 165 2HG ARG 19 1HG ARG 19 3.090 7.634 0.247 166 1HD ARG 19 2HD ARG 19 5.202 7.892 -1.017 167 2HD ARG 19 1HD ARG 19 4.754 6.512 -2.038 168 HE ARG 19 HE ARG 19 3.031 8.954 -1.842 169 1HH1 ARG 19 1HH1 ARG 19 2.045 6.528 -3.326 170 2HH1 ARG 19 2HH1 ARG 19 2.481 6.908 -4.959 171 1HH2 ARG 19 1HH2 ARG 19 4.704 9.414 -4.063 172 2HH2 ARG 19 2HH2 ARG 19 3.986 8.541 -5.376 173 H ASP 20 HN ASP 20 4.101 3.319 2.425 174 HA ASP 20 HA ASP 20 6.916 2.523 2.549 175 1HB ASP 20 2HB ASP 20 4.542 2.643 4.243 176 2HB ASP 20 1HB ASP 20 5.364 1.096 4.440 177 H PHE 21 HN PHE 21 3.786 0.980 1.987 178 HA PHE 21 HA PHE 21 4.599 -1.760 1.682 179 1HB PHE 21 2HB PHE 21 2.283 -1.064 1.898 180 2HB PHE 21 1HB PHE 21 2.384 -0.067 0.464 181 HD1 PHE 21 1HD PHE 21 2.091 -0.985 -1.734 182 HD2 PHE 21 2HD PHE 21 2.614 -3.519 1.699 183 HE1 PHE 21 1HE PHE 21 1.516 -2.982 -3.106 184 HE2 PHE 21 2HE PHE 21 2.021 -5.515 0.328 185 HZ PHE 21 HZ PHE 21 1.476 -5.238 -2.079 186 H ILE 22 HN ILE 22 3.764 0.598 -0.791 187 HA ILE 22 HA ILE 22 4.524 -0.649 -3.158 188 HB ILE 22 HB ILE 22 4.799 2.250 -2.287 189 1HG1 ILE 22 2HG1 ILE 22 2.533 1.183 -2.042 190 2HG1 ILE 22 1HG1 ILE 22 2.555 2.497 -3.211 191 1HG2 ILE 22 1HG2 ILE 22 4.656 2.801 -4.674 192 2HG2 ILE 22 2HG2 ILE 22 4.597 1.085 -5.074 193 3HG2 ILE 22 3HG2 ILE 22 6.060 1.777 -4.373 194 1HD1 ILE 22 1HD1 ILE 22 1.829 -0.250 -3.582 195 2HD1 ILE 22 2HD1 ILE 22 3.202 0.124 -4.620 196 3HD1 ILE 22 3HD1 ILE 22 1.727 1.082 -4.730 197 H GLU 23 HN GLU 23 6.577 0.902 -0.750 198 HA GLU 23 HA GLU 23 9.018 0.842 -2.375 199 1HB GLU 23 2HB GLU 23 8.213 1.521 0.442 200 2HB GLU 23 1HB GLU 23 9.924 1.341 0.055 201 1HG GLU 23 2HG GLU 23 8.257 3.010 -1.778 202 2HG GLU 23 1HG GLU 23 8.683 3.690 -0.207 203 H LYS 24 HN LYS 24 7.506 -1.179 0.100 204 HA LYS 24 HA LYS 24 9.825 -2.930 0.443 205 1HB LYS 24 2HB LYS 24 6.961 -2.779 1.332 206 2HB LYS 24 1HB LYS 24 7.824 -4.306 1.529 207 1HG LYS 24 2HG LYS 24 9.361 -3.400 3.029 208 2HG LYS 24 1HG LYS 24 9.130 -1.757 2.430 209 1HD LYS 24 2HD LYS 24 8.038 -1.814 4.548 210 2HD LYS 24 1HD LYS 24 6.745 -1.917 3.353 211 1HE LYS 24 2HE LYS 24 7.865 -4.537 4.156 212 2HE LYS 24 1HE LYS 24 7.006 -3.665 5.442 213 1HZ LYS 24 1HZ LYS 24 5.990 -4.178 2.695 214 2HZ LYS 24 2HZ LYS 24 5.184 -3.265 3.880 215 3HZ LYS 24 3HZ LYS 24 5.438 -4.925 4.117 216 H PHE 25 HN PHE 25 6.550 -3.488 -0.897 217 HA PHE 25 HA PHE 25 7.412 -5.885 -2.297 218 1HB PHE 25 2HB PHE 25 5.199 -5.616 -1.214 219 2HB PHE 25 1HB PHE 25 4.824 -4.308 -2.335 220 HD1 PHE 25 1HD PHE 25 3.391 -4.926 -4.042 221 HD2 PHE 25 2HD PHE 25 6.292 -7.754 -2.621 222 HE1 PHE 25 1HE PHE 25 2.598 -6.580 -5.716 223 HE2 PHE 25 2HE PHE 25 5.502 -9.409 -4.293 224 HZ PHE 25 HZ PHE 25 3.654 -8.821 -5.841 225 H LYS 26 HN LYS 26 9.059 -4.081 -3.365 226 HA LYS 26 HA LYS 26 8.128 -2.423 -5.484 227 1HB LYS 26 2HB LYS 26 10.727 -3.907 -5.027 228 2HB LYS 26 1HB LYS 26 10.517 -2.668 -6.265 229 1HG LYS 26 2HG LYS 26 9.536 -1.353 -4.096 230 2HG LYS 26 1HG LYS 26 10.743 -2.383 -3.323 231 1HD LYS 26 2HD LYS 26 12.435 -1.571 -4.969 232 2HD LYS 26 1HD LYS 26 11.223 -0.473 -5.629 233 1HE LYS 26 2HE LYS 26 10.981 0.547 -3.338 234 2HE LYS 26 1HE LYS 26 12.347 -0.455 -2.808 235 1HZ LYS 26 1HZ LYS 26 13.643 0.453 -4.670 236 2HZ LYS 26 2HZ LYS 26 13.169 1.663 -3.576 237 3HZ LYS 26 3HZ LYS 26 12.355 1.492 -5.054 238 H GLY 27 HN GLY 27 8.817 -5.840 -5.351 239 1HA GLY 27 2HA GLY 27 8.431 -7.574 -6.885 240 2HA GLY 27 1HA GLY 27 7.231 -6.508 -7.617 241 H ARG 28 HN ARG 28 10.764 -6.094 -7.318 242 HA ARG 28 HA ARG 28 10.876 -5.816 -10.304 243 1HB ARG 28 2HB ARG 28 12.380 -4.558 -8.000 244 2HB ARG 28 1HB ARG 28 12.964 -4.449 -9.661 245 1HG ARG 28 2HG ARG 28 10.126 -3.698 -8.994 246 2HG ARG 28 1HG ARG 28 11.435 -2.540 -8.757 247 1HD ARG 28 2HD ARG 28 11.397 -3.963 -11.377 248 2HD ARG 28 1HD ARG 28 10.134 -2.746 -11.109 249 HE ARG 28 HE ARG 28 12.284 -1.380 -10.234 250 1HH1 ARG 28 1HH1 ARG 28 13.838 -3.547 -11.834 251 2HH1 ARG 28 2HH1 ARG 28 14.151 -2.674 -13.297 252 1HH2 ARG 28 1HH2 ARG 28 11.834 -0.184 -12.621 253 2HH2 ARG 28 2HH2 ARG 28 13.016 -0.770 -13.743 Start of MODEL 33 1 1H GLU 1 1HT GLU 1 -16.250 8.533 -3.141 2 2H GLU 1 2HT GLU 1 -17.571 7.921 -4.016 3 3H GLU 1 3HT GLU 1 -16.319 8.739 -4.823 4 HA GLU 1 HA GLU 1 -16.025 6.139 -3.402 5 1HB GLU 1 2HB GLU 1 -16.684 7.027 -6.180 6 2HB GLU 1 1HB GLU 1 -15.632 5.621 -6.004 7 1HG GLU 1 2HG GLU 1 -17.448 4.849 -4.257 8 2HG GLU 1 1HG GLU 1 -18.485 5.968 -5.142 9 H GLN 2 HN GLN 2 -14.099 7.184 -2.387 10 HA GLN 2 HA GLN 2 -11.859 7.717 -4.304 11 1HB GLN 2 2HB GLN 2 -12.795 9.329 -2.424 12 2HB GLN 2 1HB GLN 2 -11.814 8.322 -1.360 13 1HG GLN 2 2HG GLN 2 -9.851 9.145 -2.175 14 2HG GLN 2 1HG GLN 2 -10.448 9.189 -3.836 15 1HE2 GLN 2 1HE2 GLN 2 -9.340 11.235 -1.521 16 2HE2 GLN 2 2HE2 GLN 2 -10.245 12.624 -1.885 17 H TYR 3 HN TYR 3 -9.665 7.172 -3.012 18 HA TYR 3 HA TYR 3 -8.255 5.296 -2.711 19 1HB TYR 3 2HB TYR 3 -9.790 6.343 -0.495 20 2HB TYR 3 1HB TYR 3 -9.198 4.721 -0.135 21 HD1 TYR 3 1HD TYR 3 -8.369 8.177 -0.621 22 HD2 TYR 3 2HD TYR 3 -6.719 4.211 -0.489 23 HE1 TYR 3 1HE TYR 3 -6.119 9.134 -0.389 24 HE2 TYR 3 2HE TYR 3 -4.442 5.177 -0.244 25 HH TYR 3 HH TYR 3 -3.845 8.283 0.645 26 H THR 4 HN THR 4 -8.679 3.158 -0.930 27 HA THR 4 HA THR 4 -9.705 1.007 -0.682 28 HB THR 4 HB THR 4 -10.970 1.368 -3.411 29 HG1 THR 4 1HG THR 4 -12.144 2.852 -2.533 30 1HG2 THR 4 1HG2 THR 4 -11.153 -0.527 -1.136 31 2HG2 THR 4 2HG2 THR 4 -11.379 -0.812 -2.861 32 3HG2 THR 4 3HG2 THR 4 -12.679 -0.099 -1.909 33 H ALA 5 HN ALA 5 -7.216 1.950 -1.784 34 HA ALA 5 HA ALA 5 -6.485 0.501 -4.151 35 1HB ALA 5 1HB ALA 5 -5.450 2.503 -2.572 36 2HB ALA 5 2HB ALA 5 -4.567 1.675 -3.861 37 3HB ALA 5 3HB ALA 5 -4.389 1.139 -2.188 38 H LYS 6 HN LYS 6 -6.235 -1.674 -4.240 39 HA LYS 6 HA LYS 6 -5.354 -3.120 -1.762 40 1HB LYS 6 2HB LYS 6 -6.561 -5.070 -2.786 41 2HB LYS 6 1HB LYS 6 -7.623 -3.710 -2.419 42 1HG LYS 6 2HG LYS 6 -7.661 -3.013 -4.711 43 2HG LYS 6 1HG LYS 6 -6.376 -4.140 -5.140 44 1HD LYS 6 2HD LYS 6 -8.269 -5.808 -4.007 45 2HD LYS 6 1HD LYS 6 -9.266 -4.618 -4.843 46 1HE LYS 6 2HE LYS 6 -7.316 -5.130 -6.727 47 2HE LYS 6 1HE LYS 6 -7.537 -6.721 -5.970 48 1HZ LYS 6 1HZ LYS 6 -9.981 -6.314 -6.146 49 2HZ LYS 6 2HZ LYS 6 -9.195 -6.514 -7.638 50 3HZ LYS 6 3HZ LYS 6 -9.638 -4.961 -7.110 51 H TYR 7 HN TYR 7 -3.642 -4.554 -1.978 52 HA TYR 7 HA TYR 7 -2.305 -4.654 -4.662 53 1HB TYR 7 2HB TYR 7 -1.258 -4.243 -1.856 54 2HB TYR 7 1HB TYR 7 -0.197 -4.668 -3.205 55 HD1 TYR 7 1HD TYR 7 0.610 -3.001 -4.617 56 HD2 TYR 7 2HD TYR 7 -2.865 -2.243 -2.230 57 HE1 TYR 7 1HE TYR 7 0.629 -0.643 -5.362 58 HE2 TYR 7 2HE TYR 7 -2.879 0.122 -2.972 59 HH TYR 7 HH TYR 7 -1.647 1.259 -5.461 60 H LYS 8 HN LYS 8 -1.857 -6.242 -1.487 61 HA LYS 8 HA LYS 8 -2.005 -8.900 -2.879 62 1HB LYS 8 2HB LYS 8 0.184 -7.785 -1.754 63 2HB LYS 8 1HB LYS 8 -0.510 -8.548 -0.323 64 1HG LYS 8 2HG LYS 8 0.869 -10.233 -1.231 65 2HG LYS 8 1HG LYS 8 -0.740 -10.657 -1.816 66 1HD LYS 8 2HD LYS 8 -0.247 -10.102 -3.987 67 2HD LYS 8 1HD LYS 8 0.839 -8.795 -3.516 68 1HE LYS 8 2HE LYS 8 2.458 -10.285 -4.196 69 2HE LYS 8 1HE LYS 8 2.223 -10.953 -2.569 70 1HZ LYS 8 1HZ LYS 8 0.371 -12.296 -3.531 71 2HZ LYS 8 2HZ LYS 8 1.912 -12.727 -4.103 72 3HZ LYS 8 3HZ LYS 8 0.876 -11.801 -5.076 73 H GLY 9 HN GLY 9 -4.362 -7.801 -1.962 74 1HA GLY 9 2HA GLY 9 -6.213 -8.591 -0.708 75 2HA GLY 9 1HA GLY 9 -5.123 -9.668 0.168 76 H ARG 10 HN ARG 10 -4.507 -6.229 -0.205 77 HA ARG 10 HA ARG 10 -5.336 -5.714 2.621 78 1HB ARG 10 2HB ARG 10 -2.605 -5.118 1.417 79 2HB ARG 10 1HB ARG 10 -3.108 -4.768 3.071 80 1HG ARG 10 2HG ARG 10 -3.459 -7.198 3.464 81 2HG ARG 10 1HG ARG 10 -2.882 -7.528 1.830 82 1HD ARG 10 2HD ARG 10 -0.776 -6.138 2.580 83 2HD ARG 10 1HD ARG 10 -1.329 -6.554 4.215 84 HE ARG 10 HE ARG 10 -1.089 -8.713 2.181 85 1HH1 ARG 10 1HH2 ARG 10 -1.681 -9.485 4.948 86 2HH1 ARG 10 2HH2 ARG 10 -0.117 -9.839 5.606 87 1HH2 ARG 10 1HH1 ARG 10 1.605 -8.179 3.094 88 2HH2 ARG 10 2HH1 ARG 10 1.744 -9.100 4.555 89 H THR 11 HN THR 11 -6.893 -4.119 2.041 90 HA THR 11 HA THR 11 -6.488 -2.190 -0.057 91 HB THR 11 HB THR 11 -8.254 -2.096 2.411 92 HG1 THR 11 1HG THR 11 -9.711 -3.145 1.185 93 1HG2 THR 11 1HG2 THR 11 -8.989 -0.103 1.658 94 2HG2 THR 11 2HG2 THR 11 -9.333 -0.802 0.077 95 3HG2 THR 11 3HG2 THR 11 -7.736 -0.129 0.416 96 H PHE 12 HN PHE 12 -5.794 0.039 0.159 97 HA PHE 12 HA PHE 12 -4.272 0.603 2.679 98 1HB PHE 12 2HB PHE 12 -3.862 1.228 -0.249 99 2HB PHE 12 1HB PHE 12 -3.035 2.171 1.006 100 HD1 PHE 12 1HD PHE 12 -1.301 1.177 2.399 101 HD2 PHE 12 2HD PHE 12 -3.507 -1.153 -0.467 102 HE1 PHE 12 1HE PHE 12 0.344 -0.677 2.633 103 HE2 PHE 12 2HE PHE 12 -1.876 -3.021 -0.208 104 HZ PHE 12 HZ PHE 12 0.049 -2.771 1.334 105 H ARG 13 HN ARG 13 -5.686 1.825 3.897 106 HA ARG 13 HA ARG 13 -7.282 3.976 2.630 107 1HB ARG 13 2HB ARG 13 -7.879 2.213 4.519 108 2HB ARG 13 1HB ARG 13 -7.139 3.418 5.573 109 1HG ARG 13 2HG ARG 13 -8.699 5.103 4.897 110 2HG ARG 13 1HG ARG 13 -9.295 4.108 3.567 111 1HD ARG 13 2HD ARG 13 -9.473 2.951 6.319 112 2HD ARG 13 1HD ARG 13 -10.622 4.234 5.888 113 HE ARG 13 HE ARG 13 -10.340 1.635 4.452 114 1HH1 ARG 13 1HH1 ARG 13 -12.723 3.121 5.960 115 2HH1 ARG 13 2HH1 ARG 13 -13.751 3.413 4.598 116 1HH2 ARG 13 1HH2 ARG 13 -11.302 2.674 2.255 117 2HH2 ARG 13 2HH2 ARG 13 -12.948 3.158 2.500 118 H ASN 14 HN ASN 14 -4.157 3.945 3.214 119 HA ASN 14 HA ASN 14 -4.078 6.767 4.109 120 1HB ASN 14 2HB ASN 14 -3.723 4.621 5.879 121 2HB ASN 14 1HB ASN 14 -2.081 5.136 5.494 122 1HD2 ASN 14 1HD2 ASN 14 -1.483 7.385 6.015 123 2HD2 ASN 14 2HD2 ASN 14 -2.393 8.285 7.130 124 H GLU 15 HN GLU 15 -2.712 7.771 2.709 125 HA GLU 15 HA GLU 15 -1.131 6.457 0.740 126 1HB GLU 15 2HB GLU 15 -1.993 8.995 1.302 127 2HB GLU 15 1HB GLU 15 -0.270 9.142 1.648 128 1HG GLU 15 2HG GLU 15 -0.894 7.673 -0.839 129 2HG GLU 15 1HG GLU 15 -1.372 9.369 -0.854 130 H LYS 16 HN LYS 16 -0.316 7.539 4.011 131 HA LYS 16 HA LYS 16 2.508 7.350 3.847 132 1HB LYS 16 2HB LYS 16 1.003 8.359 5.653 133 2HB LYS 16 1HB LYS 16 0.815 6.711 6.257 134 1HG LYS 16 2HG LYS 16 3.416 6.636 6.204 135 2HG LYS 16 1HG LYS 16 3.311 8.395 6.131 136 1HD LYS 16 2HD LYS 16 2.525 8.578 8.277 137 2HD LYS 16 1HD LYS 16 1.631 7.060 8.189 138 1HE LYS 16 2HE LYS 16 4.607 6.859 8.079 139 2HE LYS 16 1HE LYS 16 3.882 7.277 9.644 140 1HZ LYS 16 1HZ LYS 16 3.992 4.854 9.267 141 2HZ LYS 16 2HZ LYS 16 2.984 5.033 7.916 142 3HZ LYS 16 3HZ LYS 16 2.400 5.414 9.465 143 H GLU 17 HN GLU 17 0.074 4.967 4.695 144 HA GLU 17 HA GLU 17 1.834 2.806 5.402 145 1HB GLU 17 2HB GLU 17 -0.958 2.807 4.205 146 2HB GLU 17 1HB GLU 17 -0.205 1.440 5.019 147 1HG GLU 17 2HG GLU 17 -0.596 4.120 6.353 148 2HG GLU 17 1HG GLU 17 -1.790 2.824 6.426 149 H LEU 18 HN LEU 18 -0.108 3.226 2.457 150 HA LEU 18 HA LEU 18 0.952 1.166 0.917 151 1HB LEU 18 2HB LEU 18 -1.023 2.675 0.473 152 2HB LEU 18 1HB LEU 18 0.119 3.898 -0.084 153 HG LEU 18 HG LEU 18 1.005 2.200 -1.720 154 1HD1 LEU 18 1HD1 LEU 18 -0.144 0.299 -0.297 155 2HD1 LEU 18 2HD1 LEU 18 -0.044 0.140 -2.040 156 3HD1 LEU 18 3HD1 LEU 18 -1.543 0.677 -1.289 157 1HD2 LEU 18 1HD2 LEU 18 -1.900 2.456 -2.317 158 2HD2 LEU 18 2HD2 LEU 18 -0.506 2.896 -3.304 159 3HD2 LEU 18 3HD2 LEU 18 -1.022 3.951 -1.989 160 H ARG 19 HN ARG 19 2.151 4.568 0.937 161 HA ARG 19 HA ARG 19 4.216 4.243 -0.970 162 1HB ARG 19 2HB ARG 19 3.873 5.941 1.509 163 2HB ARG 19 1HB ARG 19 5.310 6.089 0.499 164 1HG ARG 19 2HG ARG 19 2.671 6.114 -0.883 165 2HG ARG 19 1HG ARG 19 3.112 7.550 0.042 166 1HD ARG 19 2HD ARG 19 5.447 7.168 -1.250 167 2HD ARG 19 1HD ARG 19 4.342 6.458 -2.444 168 HE ARG 19 HE ARG 19 3.140 8.587 -2.526 169 1HH1 ARG 19 1HH2 ARG 19 6.371 8.886 -2.268 170 2HH1 ARG 19 2HH2 ARG 19 6.394 10.438 -1.499 171 1HH2 ARG 19 1HH1 ARG 19 2.995 10.443 -0.811 172 2HH2 ARG 19 2HH1 ARG 19 4.483 11.319 -0.674 173 H ASP 20 HN ASP 20 4.107 3.318 2.442 174 HA ASP 20 HA ASP 20 6.927 2.572 2.644 175 1HB ASP 20 2HB ASP 20 4.781 3.003 4.356 176 2HB ASP 20 1HB ASP 20 4.959 1.249 4.407 177 H PHE 21 HN PHE 21 3.842 0.944 2.065 178 HA PHE 21 HA PHE 21 4.734 -1.781 1.832 179 1HB PHE 21 2HB PHE 21 2.398 -1.143 2.022 180 2HB PHE 21 1HB PHE 21 2.480 -0.180 0.562 181 HD1 PHE 21 1HD PHE 21 2.240 -1.162 -1.610 182 HD2 PHE 21 2HD PHE 21 2.794 -3.593 1.888 183 HE1 PHE 21 1HE PHE 21 1.740 -3.206 -2.941 184 HE2 PHE 21 2HE PHE 21 2.275 -5.639 0.560 185 HZ PHE 21 HZ PHE 21 1.754 -5.438 -1.859 186 H ILE 22 HN ILE 22 3.834 0.489 -0.702 187 HA ILE 22 HA ILE 22 4.657 -0.783 -3.034 188 HB ILE 22 HB ILE 22 4.813 2.145 -2.227 189 1HG1 ILE 22 2HG1 ILE 22 2.582 1.012 -1.967 190 2HG1 ILE 22 1HG1 ILE 22 2.569 2.285 -3.181 191 1HG2 ILE 22 1HG2 ILE 22 4.683 2.649 -4.615 192 2HG2 ILE 22 2HG2 ILE 22 4.655 0.927 -4.994 193 3HG2 ILE 22 3HG2 ILE 22 6.104 1.652 -4.299 194 1HD1 ILE 22 1HD1 ILE 22 1.958 -0.505 -3.468 195 2HD1 ILE 22 2HD1 ILE 22 3.309 -0.093 -4.520 196 3HD1 ILE 22 3HD1 ILE 22 1.791 0.792 -4.649 197 H GLU 23 HN GLU 23 6.628 0.900 -0.649 198 HA GLU 23 HA GLU 23 9.073 1.047 -2.202 199 1HB GLU 23 2HB GLU 23 8.146 1.445 0.596 200 2HB GLU 23 1HB GLU 23 9.867 1.111 0.396 201 1HG GLU 23 2HG GLU 23 9.999 2.939 -1.287 202 2HG GLU 23 1HG GLU 23 8.299 3.305 -0.992 203 H LYS 24 HN LYS 24 7.685 -1.348 0.019 204 HA LYS 24 HA LYS 24 10.080 -3.045 0.012 205 1HB LYS 24 2HB LYS 24 7.960 -2.667 1.676 206 2HB LYS 24 1HB LYS 24 7.419 -4.101 0.803 207 1HG LYS 24 2HG LYS 24 8.651 -5.174 2.411 208 2HG LYS 24 1HG LYS 24 9.973 -4.825 1.298 209 1HD LYS 24 2HD LYS 24 10.416 -2.708 2.529 210 2HD LYS 24 1HD LYS 24 9.146 -3.136 3.675 211 1HE LYS 24 2HE LYS 24 10.432 -4.746 4.702 212 2HE LYS 24 1HE LYS 24 11.245 -5.201 3.191 213 1HZ LYS 24 1HZ LYS 24 11.679 -2.713 4.757 214 2HZ LYS 24 2HZ LYS 24 12.369 -3.026 3.236 215 3HZ LYS 24 3HZ LYS 24 12.783 -3.991 4.568 216 H PHE 25 HN PHE 25 6.713 -3.628 -1.074 217 HA PHE 25 HA PHE 25 7.572 -5.747 -2.872 218 1HB PHE 25 2HB PHE 25 5.479 -5.794 -1.524 219 2HB PHE 25 1HB PHE 25 4.882 -4.416 -2.453 220 HD1 PHE 25 1HD PHE 25 3.345 -4.983 -4.084 221 HD2 PHE 25 2HD PHE 25 6.593 -7.663 -3.253 222 HE1 PHE 25 1HE PHE 25 2.530 -6.521 -5.857 223 HE2 PHE 25 2HE PHE 25 5.782 -9.202 -5.021 224 HZ PHE 25 HZ PHE 25 3.749 -8.630 -6.324 225 H LYS 26 HN LYS 26 8.940 -3.667 -3.825 226 HA LYS 26 HA LYS 26 7.627 -1.860 -5.606 227 1HB LYS 26 2HB LYS 26 10.348 -2.876 -5.050 228 2HB LYS 26 1HB LYS 26 10.118 -2.211 -6.667 229 1HG LYS 26 2HG LYS 26 8.958 -0.229 -5.414 230 2HG LYS 26 1HG LYS 26 9.825 -0.840 -4.005 231 1HD LYS 26 2HD LYS 26 11.897 -0.303 -4.869 232 2HD LYS 26 1HD LYS 26 11.367 -0.503 -6.540 233 1HE LYS 26 2HE LYS 26 11.526 1.828 -6.416 234 2HE LYS 26 1HE LYS 26 9.833 1.600 -5.931 235 1HZ LYS 26 1HZ LYS 26 12.115 1.604 -4.028 236 2HZ LYS 26 2HZ LYS 26 10.459 1.594 -3.646 237 3HZ LYS 26 3HZ LYS 26 11.157 2.971 -4.349 238 H GLY 27 HN GLY 27 8.386 -5.220 -5.915 239 1HA GLY 27 2HA GLY 27 7.766 -6.748 -7.598 240 2HA GLY 27 1HA GLY 27 6.947 -5.422 -8.427 241 H ARG 28 HN ARG 28 10.312 -5.158 -7.492 242 HA ARG 28 HA ARG 28 12.241 -4.809 -8.807 243 1HB ARG 28 2HB ARG 28 10.796 -7.224 -9.694 244 2HB ARG 28 1HB ARG 28 11.974 -6.615 -10.857 245 1HG ARG 28 2HG ARG 28 13.769 -6.862 -9.357 246 2HG ARG 28 1HG ARG 28 12.706 -6.911 -7.951 247 1HD ARG 28 2HD ARG 28 13.164 -9.181 -8.153 248 2HD ARG 28 1HD ARG 28 11.767 -9.082 -9.245 249 HE ARG 28 HE ARG 28 14.497 -8.622 -10.352 250 1HH1 ARG 28 1HH1 ARG 28 13.062 -11.424 -9.653 251 2HH1 ARG 28 2HH1 ARG 28 12.708 -11.925 -11.273 252 1HH2 ARG 28 1HH2 ARG 28 13.400 -8.825 -12.665 253 2HH2 ARG 28 2HH2 ARG 28 12.901 -10.454 -12.978 Start of MODEL 34 1 1H GLU 1 1HT GLU 1 -15.827 7.974 -5.997 2 2H GLU 1 2HT GLU 1 -15.838 8.993 -4.638 3 3H GLU 1 3HT GLU 1 -17.163 7.977 -4.953 4 HA GLU 1 HA GLU 1 -15.903 6.980 -3.194 5 1HB GLU 1 2HB GLU 1 -16.840 5.772 -5.341 6 2HB GLU 1 1HB GLU 1 -15.134 5.500 -5.696 7 1HG GLU 1 2HG GLU 1 -14.834 4.101 -3.883 8 2HG GLU 1 1HG GLU 1 -16.095 4.889 -2.934 9 H GLN 2 HN GLN 2 -14.030 7.710 -2.236 10 HA GLN 2 HA GLN 2 -11.565 8.082 -3.840 11 1HB GLN 2 2HB GLN 2 -12.620 9.600 -1.976 12 2HB GLN 2 1HB GLN 2 -11.860 8.460 -0.866 13 1HG GLN 2 2HG GLN 2 -9.762 9.224 -1.317 14 2HG GLN 2 1HG GLN 2 -10.092 9.379 -3.044 15 1HE2 GLN 2 1HE2 GLN 2 -11.002 10.987 0.065 16 2HE2 GLN 2 2HE2 GLN 2 -11.026 12.553 -0.588 17 H TYR 3 HN TYR 3 -9.511 7.339 -2.509 18 HA TYR 3 HA TYR 3 -8.207 5.382 -2.250 19 1HB TYR 3 2HB TYR 3 -9.772 6.415 -0.049 20 2HB TYR 3 1HB TYR 3 -9.272 4.752 0.264 21 HD1 TYR 3 1HD TYR 3 -8.271 8.171 0.086 22 HD2 TYR 3 2HD TYR 3 -6.801 4.146 -0.171 23 HE1 TYR 3 1HE TYR 3 -5.982 8.997 0.422 24 HE2 TYR 3 2HE TYR 3 -4.488 4.974 0.179 25 HH TYR 3 HH TYR 3 -3.334 6.884 1.095 26 H THR 4 HN THR 4 -8.787 3.197 -0.574 27 HA THR 4 HA THR 4 -9.836 1.062 -0.472 28 HB THR 4 HB THR 4 -11.194 1.593 -3.117 29 HG1 THR 4 1HG THR 4 -12.522 2.941 -2.217 30 1HG2 THR 4 1HG2 THR 4 -11.405 -0.303 -0.850 31 2HG2 THR 4 2HG2 THR 4 -11.764 -0.545 -2.560 32 3HG2 THR 4 3HG2 THR 4 -12.940 0.256 -1.519 33 H ALA 5 HN ALA 5 -7.363 1.944 -1.559 34 HA ALA 5 HA ALA 5 -6.758 0.629 -4.055 35 1HB ALA 5 1HB ALA 5 -5.628 2.524 -2.362 36 2HB ALA 5 2HB ALA 5 -4.833 1.815 -3.774 37 3HB ALA 5 3HB ALA 5 -4.561 1.122 -2.167 38 H LYS 6 HN LYS 6 -6.133 -1.522 -4.314 39 HA LYS 6 HA LYS 6 -5.378 -3.025 -1.836 40 1HB LYS 6 2HB LYS 6 -6.428 -5.001 -3.005 41 2HB LYS 6 1HB LYS 6 -7.563 -3.739 -2.532 42 1HG LYS 6 2HG LYS 6 -7.985 -3.108 -4.693 43 2HG LYS 6 1HG LYS 6 -6.362 -3.518 -5.243 44 1HD LYS 6 2HD LYS 6 -8.464 -5.567 -4.483 45 2HD LYS 6 1HD LYS 6 -8.134 -5.059 -6.139 46 1HE LYS 6 2HE LYS 6 -5.696 -5.823 -4.677 47 2HE LYS 6 1HE LYS 6 -6.857 -7.152 -4.857 48 1HZ LYS 6 1HZ LYS 6 -7.031 -6.696 -7.194 49 2HZ LYS 6 2HZ LYS 6 -5.392 -6.906 -6.810 50 3HZ LYS 6 3HZ LYS 6 -6.011 -5.343 -7.057 51 H TYR 7 HN TYR 7 -3.551 -4.272 -2.008 52 HA TYR 7 HA TYR 7 -2.156 -4.285 -4.663 53 1HB TYR 7 2HB TYR 7 -1.209 -3.705 -1.854 54 2HB TYR 7 1HB TYR 7 -0.084 -4.135 -3.136 55 HD1 TYR 7 1HD TYR 7 0.719 -2.504 -4.549 56 HD2 TYR 7 2HD TYR 7 -2.927 -1.844 -2.403 57 HE1 TYR 7 1HE TYR 7 0.667 -0.182 -5.375 58 HE2 TYR 7 2HE TYR 7 -3.005 0.490 -3.214 59 HH TYR 7 HH TYR 7 -1.561 1.601 -5.718 60 H LYS 8 HN LYS 8 -2.357 -5.909 -1.483 61 HA LYS 8 HA LYS 8 -1.915 -8.524 -2.862 62 1HB LYS 8 2HB LYS 8 -0.027 -7.115 -1.318 63 2HB LYS 8 1HB LYS 8 -0.644 -8.362 -0.237 64 1HG LYS 8 2HG LYS 8 0.348 -8.895 -3.051 65 2HG LYS 8 1HG LYS 8 1.328 -9.109 -1.599 66 1HD LYS 8 2HD LYS 8 -1.315 -10.415 -1.465 67 2HD LYS 8 1HD LYS 8 -0.259 -11.061 -2.719 68 1HE LYS 8 2HE LYS 8 1.549 -10.985 -0.755 69 2HE LYS 8 1HE LYS 8 0.093 -11.105 0.253 70 1HZ LYS 8 1HZ LYS 8 -0.644 -12.982 -1.058 71 2HZ LYS 8 2HZ LYS 8 0.899 -13.302 -0.428 72 3HZ LYS 8 3HZ LYS 8 0.723 -12.862 -2.060 73 H GLY 9 HN GLY 9 -4.428 -7.892 -2.275 74 1HA GLY 9 2HA GLY 9 -6.304 -8.697 -1.107 75 2HA GLY 9 1HA GLY 9 -5.215 -9.767 -0.220 76 H ARG 10 HN ARG 10 -4.769 -6.288 -0.358 77 HA ARG 10 HA ARG 10 -5.849 -5.953 2.402 78 1HB ARG 10 2HB ARG 10 -3.016 -5.323 1.490 79 2HB ARG 10 1HB ARG 10 -3.675 -4.970 3.089 80 1HG ARG 10 2HG ARG 10 -4.131 -7.428 3.376 81 2HG ARG 10 1HG ARG 10 -3.278 -7.711 1.860 82 1HD ARG 10 2HD ARG 10 -1.564 -8.002 3.453 83 2HD ARG 10 1HD ARG 10 -1.366 -6.296 3.012 84 HE ARG 10 HE ARG 10 -3.172 -6.100 5.013 85 1HH1 ARG 10 1HH2 ARG 10 -0.095 -5.721 5.256 86 2HH1 ARG 10 2HH2 ARG 10 0.209 -6.641 6.692 87 1HH2 ARG 10 1HH1 ARG 10 -2.871 -8.235 6.641 88 2HH2 ARG 10 2HH1 ARG 10 -1.363 -8.064 7.478 89 H THR 11 HN THR 11 -7.197 -4.169 2.144 90 HA THR 11 HA THR 11 -6.838 -2.241 0.013 91 HB THR 11 HB THR 11 -8.474 -2.115 2.572 92 HG1 THR 11 1HG THR 11 -9.106 -3.016 -0.040 93 1HG2 THR 11 1HG2 THR 11 -9.296 -0.147 1.837 94 2HG2 THR 11 2HG2 THR 11 -9.548 -0.790 0.215 95 3HG2 THR 11 3HG2 THR 11 -7.978 -0.119 0.664 96 H PHE 12 HN PHE 12 -5.813 -0.191 0.153 97 HA PHE 12 HA PHE 12 -4.244 0.318 2.642 98 1HB PHE 12 2HB PHE 12 -3.943 1.055 -0.285 99 2HB PHE 12 1HB PHE 12 -2.969 1.825 0.983 100 HD1 PHE 12 1HD PHE 12 -1.162 0.665 2.022 101 HD2 PHE 12 2HD PHE 12 -3.943 -1.396 -0.497 102 HE1 PHE 12 1HE PHE 12 0.314 -1.340 2.056 103 HE2 PHE 12 2HE PHE 12 -2.506 -3.433 -0.426 104 HZ PHE 12 HZ PHE 12 -0.370 -3.395 0.841 105 H ARG 13 HN ARG 13 -5.580 1.512 3.928 106 HA ARG 13 HA ARG 13 -7.060 3.832 2.781 107 1HB ARG 13 2HB ARG 13 -7.194 2.082 5.199 108 2HB ARG 13 1HB ARG 13 -7.812 3.727 5.353 109 1HG ARG 13 2HG ARG 13 -8.623 2.015 3.014 110 2HG ARG 13 1HG ARG 13 -9.446 1.852 4.565 111 1HD ARG 13 2HD ARG 13 -9.070 4.619 3.483 112 2HD ARG 13 1HD ARG 13 -10.320 3.599 2.753 113 HE ARG 13 HE ARG 13 -10.615 3.280 5.513 114 1HH1 ARG 13 1HH2 ARG 13 -12.576 4.525 3.472 115 2HH1 ARG 13 2HH2 ARG 13 -12.886 6.050 4.231 116 1HH2 ARG 13 1HH1 ARG 13 -10.194 5.816 6.404 117 2HH2 ARG 13 2HH1 ARG 13 -11.539 6.781 5.893 118 H ASN 14 HN ASN 14 -4.066 3.748 3.245 119 HA ASN 14 HA ASN 14 -3.895 6.292 4.761 120 1HB ASN 14 2HB ASN 14 -3.591 4.564 6.438 121 2HB ASN 14 1HB ASN 14 -2.424 3.716 5.423 122 1HD2 ASN 14 1HD2 ASN 14 -2.892 7.041 6.703 123 2HD2 ASN 14 2HD2 ASN 14 -1.271 7.268 7.155 124 H GLU 15 HN GLU 15 -2.679 7.634 3.536 125 HA GLU 15 HA GLU 15 -1.320 6.914 1.146 126 1HB GLU 15 2HB GLU 15 -2.140 9.186 2.314 127 2HB GLU 15 1HB GLU 15 -0.431 9.273 2.751 128 1HG GLU 15 2HG GLU 15 -0.050 8.680 0.214 129 2HG GLU 15 1HG GLU 15 -1.692 9.296 0.026 130 H LYS 16 HN LYS 16 -0.079 7.358 4.458 131 HA LYS 16 HA LYS 16 2.685 7.095 3.931 132 1HB LYS 16 2HB LYS 16 1.163 7.597 6.084 133 2HB LYS 16 1HB LYS 16 1.523 5.898 6.392 134 1HG LYS 16 2HG LYS 16 3.851 6.281 6.483 135 2HG LYS 16 1HG LYS 16 3.712 7.846 5.680 136 1HD LYS 16 2HD LYS 16 4.101 8.230 8.048 137 2HD LYS 16 1HD LYS 16 2.441 8.691 7.669 138 1HE LYS 16 2HE LYS 16 2.139 7.389 9.603 139 2HE LYS 16 1HE LYS 16 1.923 6.172 8.329 140 1HZ LYS 16 1HZ LYS 16 4.510 6.824 9.641 141 2HZ LYS 16 2HZ LYS 16 4.253 5.623 8.465 142 3HZ LYS 16 3HZ LYS 16 3.556 5.470 10.007 143 H GLU 17 HN GLU 17 0.248 4.669 4.640 144 HA GLU 17 HA GLU 17 1.899 2.347 4.737 145 1HB GLU 17 2HB GLU 17 -0.969 2.984 4.132 146 2HB GLU 17 1HB GLU 17 -0.395 1.344 3.837 147 1HG GLU 17 2HG GLU 17 -0.087 2.824 6.464 148 2HG GLU 17 1HG GLU 17 -1.340 1.629 6.124 149 H LEU 18 HN LEU 18 -0.058 3.548 1.988 150 HA LEU 18 HA LEU 18 0.868 1.754 0.012 151 1HB LEU 18 2HB LEU 18 -0.907 3.817 0.184 152 2HB LEU 18 1HB LEU 18 0.358 4.575 -0.782 153 HG LEU 18 HG LEU 18 0.241 2.748 -2.411 154 1HD1 LEU 18 1HD1 LEU 18 -1.080 1.394 -0.269 155 2HD1 LEU 18 2HD1 LEU 18 -0.600 0.724 -1.824 156 3HD1 LEU 18 3HD1 LEU 18 -2.196 1.456 -1.626 157 1HD2 LEU 18 1HD2 LEU 18 -2.534 3.775 -1.768 158 2HD2 LEU 18 2HD2 LEU 18 -1.938 3.265 -3.348 159 3HD2 LEU 18 3HD2 LEU 18 -1.292 4.721 -2.591 160 H ARG 19 HN ARG 19 2.153 4.984 0.856 161 HA ARG 19 HA ARG 19 4.285 5.031 -1.045 162 1HB ARG 19 2HB ARG 19 3.848 6.265 1.682 163 2HB ARG 19 1HB ARG 19 5.247 6.658 0.684 164 1HG ARG 19 2HG ARG 19 3.201 6.931 -1.126 165 2HG ARG 19 1HG ARG 19 2.425 7.466 0.364 166 1HD ARG 19 2HD ARG 19 3.397 9.477 -0.176 167 2HD ARG 19 1HD ARG 19 4.843 8.747 0.547 168 HE ARG 19 HE ARG 19 4.285 8.282 -2.337 169 1HH1 ARG 19 1HH2 ARG 19 6.848 7.428 -1.016 170 2HH1 ARG 19 2HH2 ARG 19 7.927 8.704 -1.472 171 1HH2 ARG 19 1HH1 ARG 19 5.389 10.873 -2.405 172 2HH2 ARG 19 2HH1 ARG 19 7.100 10.654 -2.261 173 H ASP 20 HN ASP 20 3.890 3.197 1.884 174 HA ASP 20 HA ASP 20 6.804 2.600 2.051 175 1HB ASP 20 2HB ASP 20 5.209 3.279 3.995 176 2HB ASP 20 1HB ASP 20 4.615 1.622 3.883 177 H PHE 21 HN PHE 21 3.654 1.064 1.433 178 HA PHE 21 HA PHE 21 4.531 -1.672 1.444 179 1HB PHE 21 2HB PHE 21 2.192 -0.934 1.536 180 2HB PHE 21 1HB PHE 21 2.286 -0.336 -0.107 181 HD1 PHE 21 1HD PHE 21 2.246 -1.839 -2.005 182 HD2 PHE 21 2HD PHE 21 2.549 -3.322 2.006 183 HE1 PHE 21 1HE PHE 21 1.844 -4.147 -2.830 184 HE2 PHE 21 2HE PHE 21 2.141 -5.640 1.191 185 HZ PHE 21 HZ PHE 21 1.790 -6.047 -1.233 186 H ILE 22 HN ILE 22 3.537 0.077 -1.496 187 HA ILE 22 HA ILE 22 4.709 -1.534 -3.433 188 HB ILE 22 HB ILE 22 4.344 1.475 -3.338 189 1HG1 ILE 22 2HG1 ILE 22 2.435 0.304 -4.981 190 2HG1 ILE 22 1HG1 ILE 22 2.593 -0.862 -3.672 191 1HG2 ILE 22 1HG2 ILE 22 4.395 1.384 -5.784 192 2HG2 ILE 22 2HG2 ILE 22 4.650 -0.360 -5.733 193 3HG2 ILE 22 3HG2 ILE 22 5.908 0.732 -5.152 194 1HD1 ILE 22 1HD1 ILE 22 1.640 0.520 -2.158 195 2HD1 ILE 22 2HD1 ILE 22 1.007 1.354 -3.576 196 3HD1 ILE 22 3HD1 ILE 22 2.470 1.944 -2.791 197 H GLU 23 HN GLU 23 6.228 0.922 -1.432 198 HA GLU 23 HA GLU 23 8.774 0.990 -2.859 199 1HB GLU 23 2HB GLU 23 7.437 2.310 -0.687 200 2HB GLU 23 1HB GLU 23 9.003 1.756 -0.098 201 1HG GLU 23 2HG GLU 23 8.764 3.189 -2.741 202 2HG GLU 23 1HG GLU 23 8.888 4.089 -1.228 203 H LYS 24 HN LYS 24 7.456 -0.764 -0.076 204 HA LYS 24 HA LYS 24 9.974 -2.086 0.600 205 1HB LYS 24 2HB LYS 24 8.101 -1.574 2.184 206 2HB LYS 24 1HB LYS 24 7.097 -2.740 1.322 207 1HG LYS 24 2HG LYS 24 8.270 -4.557 2.123 208 2HG LYS 24 1HG LYS 24 9.779 -3.655 2.258 209 1HD LYS 24 2HD LYS 24 7.501 -2.850 4.018 210 2HD LYS 24 1HD LYS 24 8.387 -4.319 4.425 211 1HE LYS 24 2HE LYS 24 10.456 -2.605 3.890 212 2HE LYS 24 1HE LYS 24 9.260 -1.501 4.599 213 1HZ LYS 24 1HZ LYS 24 8.962 -3.013 6.435 214 2HZ LYS 24 2HZ LYS 24 10.610 -2.622 6.303 215 3HZ LYS 24 3HZ LYS 24 10.043 -4.126 5.752 216 H PHE 25 HN PHE 25 6.855 -3.315 -0.689 217 HA PHE 25 HA PHE 25 8.085 -5.784 -1.603 218 1HB PHE 25 2HB PHE 25 5.787 -5.614 -0.685 219 2HB PHE 25 1HB PHE 25 5.335 -4.589 -2.047 220 HD1 PHE 25 1HD PHE 25 4.083 -5.700 -3.644 221 HD2 PHE 25 2HD PHE 25 7.248 -7.800 -1.644 222 HE1 PHE 25 1HE PHE 25 3.609 -7.715 -5.013 223 HE2 PHE 25 2HE PHE 25 6.777 -9.816 -3.011 224 HZ PHE 25 HZ PHE 25 4.957 -9.773 -4.696 225 H LYS 26 HN LYS 26 9.561 -3.969 -2.905 226 HA LYS 26 HA LYS 26 8.551 -2.891 -5.348 227 1HB LYS 26 2HB LYS 26 11.195 -3.557 -4.137 228 2HB LYS 26 1HB LYS 26 11.162 -3.216 -5.867 229 1HG LYS 26 2HG LYS 26 9.607 -1.321 -4.212 230 2HG LYS 26 1HG LYS 26 11.346 -1.292 -3.924 231 1HD LYS 26 2HD LYS 26 10.257 -1.253 -6.733 232 2HD LYS 26 1HD LYS 26 10.391 0.236 -5.796 233 1HE LYS 26 2HE LYS 26 12.830 -0.374 -5.376 234 2HE LYS 26 1HE LYS 26 12.628 -1.647 -6.597 235 1HZ LYS 26 1HZ LYS 26 13.348 0.325 -7.710 236 2HZ LYS 26 2HZ LYS 26 12.154 1.263 -6.953 237 3HZ LYS 26 3HZ LYS 26 11.711 0.085 -8.095 238 H GLY 27 HN GLY 27 9.453 -6.116 -4.474 239 1HA GLY 27 2HA GLY 27 8.667 -7.985 -5.863 240 2HA GLY 27 1HA GLY 27 8.963 -6.985 -7.285 241 H ARG 28 HN ARG 28 11.554 -6.016 -6.195 242 HA ARG 28 HA ARG 28 13.276 -8.046 -7.322 243 1HB ARG 28 2HB ARG 28 13.710 -5.514 -5.713 244 2HB ARG 28 1HB ARG 28 15.043 -6.458 -6.378 245 1HG ARG 28 2HG ARG 28 13.811 -6.270 -8.636 246 2HG ARG 28 1HG ARG 28 12.862 -4.998 -7.868 247 1HD ARG 28 2HD ARG 28 14.654 -3.807 -8.860 248 2HD ARG 28 1HD ARG 28 15.201 -4.016 -7.185 249 HE ARG 28 HE ARG 28 16.370 -6.132 -8.055 250 1HH1 ARG 28 1HH1 ARG 28 15.102 -5.269 -10.836 251 2HH1 ARG 28 2HH1 ARG 28 16.552 -4.787 -11.652 252 1HH2 ARG 28 1HH2 ARG 28 18.471 -4.726 -8.764 253 2HH2 ARG 28 2HH2 ARG 28 18.460 -4.480 -10.478
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