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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7487 |
1klr ![]() ![]() |
cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 -12.131 11.187 -2.695 2 2H LYS 1 2H LYS 1 -11.154 11.644 -1.383 3 3H LYS 1 3H LYS 1 -12.844 11.579 -1.205 4 HA LYS 1 HA LYS 1 -12.718 9.507 -0.533 5 1HB LYS 1 2HB LYS 1 -12.125 7.738 -2.122 6 2HB LYS 1 1HB LYS 1 -12.925 9.008 -3.017 7 1HG LYS 1 2HG LYS 1 -10.775 9.874 -3.846 8 2HG LYS 1 1HG LYS 1 -9.880 8.755 -2.837 9 1HD LYS 1 2HD LYS 1 -10.911 6.832 -4.048 10 2HD LYS 1 1HD LYS 1 -11.743 7.957 -5.105 11 1HE LYS 1 2HE LYS 1 -9.562 8.857 -5.892 12 2HE LYS 1 1HE LYS 1 -8.711 7.794 -4.780 13 1HZ LYS 1 1HZ LYS 1 -9.592 7.243 -7.363 14 2HZ LYS 1 2HZ LYS 1 -10.460 6.241 -6.304 15 3HZ LYS 1 3HZ LYS 1 -8.765 6.224 -6.291 16 H THR 2 H THR 2 -11.055 7.550 -0.483 17 HA THR 2 HA THR 2 -8.452 8.554 0.604 18 HB THR 2 HB THR 2 -10.027 7.787 2.401 19 HG1 THR 2 HG1 THR 2 -7.619 7.026 2.042 20 1HG2 THR 2 1HG2 THR 2 -11.300 6.030 1.028 21 2HG2 THR 2 2HG2 THR 2 -10.683 5.374 2.533 22 3HG2 THR 2 3HG2 THR 2 -9.849 5.043 1.028 23 H TYR 3 H TYR 3 -7.221 6.269 0.920 24 HA TYR 3 HA TYR 3 -7.122 4.954 -1.780 25 1HB TYR 3 1HB TYR 3 -4.823 5.412 0.169 26 2HB TYR 3 2HB TYR 3 -4.720 4.695 -1.441 27 HD1 TYR 3 HD1 TYR 3 -5.783 6.321 -3.366 28 HD2 TYR 3 HD2 TYR 3 -4.113 7.592 0.342 29 HE1 TYR 3 HE1 TYR 3 -5.328 8.533 -4.321 30 HE2 TYR 3 HE2 TYR 3 -3.648 9.796 -0.619 31 HH TYR 3 HH TYR 3 -4.386 10.525 -4.010 32 H GLN 4 H GLN 4 -6.392 2.741 -1.678 33 HA GLN 4 HA GLN 4 -6.854 1.355 0.936 34 1HB GLN 4 1HB GLN 4 -8.652 1.308 -1.194 35 2HB GLN 4 2HB GLN 4 -7.671 -0.089 -1.543 36 1HG GLN 4 2HG GLN 4 -9.341 0.386 0.959 37 2HG GLN 4 1HG GLN 4 -9.610 -0.812 -0.278 38 1HE2 GLN 4 1HE2 GLN 4 -8.375 -2.782 -0.215 39 2HE2 GLN 4 2HE2 GLN 4 -7.400 -3.188 1.108 40 H CYS 5 H CYS 5 -5.886 -0.758 0.958 41 HA CYS 5 HA CYS 5 -3.292 -0.849 -0.517 42 1HB CYS 5 1HB CYS 5 -3.178 -0.987 1.909 43 2HB CYS 5 2HB CYS 5 -4.361 -2.301 1.943 44 H GLN 6 H GLN 6 -2.792 -2.790 -1.720 45 HA GLN 6 HA GLN 6 -5.228 -4.395 -2.463 46 1HB GLN 6 1HB GLN 6 -2.709 -4.139 -4.140 47 2HB GLN 6 2HB GLN 6 -4.311 -4.618 -4.656 48 1HG GLN 6 2HG GLN 6 -3.440 -1.811 -3.821 49 2HG GLN 6 1HG GLN 6 -3.886 -2.328 -5.433 50 1HE2 GLN 6 2HE2 GLN 6 -5.067 -0.697 -2.803 51 2HE2 GLN 6 1HE2 GLN 6 -6.727 -0.916 -3.061 52 H TYR 7 H TYR 7 -3.779 -4.922 -0.203 53 HA TYR 7 HA TYR 7 -2.746 -7.663 -0.737 54 1HB TYR 7 1HB TYR 7 -1.470 -5.589 1.103 55 2HB TYR 7 2HB TYR 7 -0.920 -7.247 0.911 56 HD1 TYR 7 HD1 TYR 7 -0.106 -7.996 -1.408 57 HD2 TYR 7 HD2 TYR 7 -0.791 -3.901 -0.458 58 HE1 TYR 7 HE1 TYR 7 1.224 -7.314 -3.341 59 HE2 TYR 7 HE2 TYR 7 0.541 -3.224 -2.382 60 HH TYR 7 HH TYR 7 1.624 -3.900 -4.202 61 H CYS 8 H CYS 8 -3.476 -5.321 1.760 62 HA CYS 8 HA CYS 8 -5.222 -7.292 3.180 63 1HB CYS 8 1HB CYS 8 -4.408 -6.456 5.294 64 2HB CYS 8 2HB CYS 8 -3.005 -6.845 4.303 65 H GLU 9 H GLU 9 -6.056 -5.527 5.136 66 HA GLU 9 HA GLU 9 -7.898 -3.739 3.595 67 1HB GLU 9 1HB GLU 9 -9.329 -3.893 5.658 68 2HB GLU 9 2HB GLU 9 -9.039 -5.454 4.913 69 1HG GLU 9 2HG GLU 9 -7.244 -5.939 6.584 70 2HG GLU 9 1HG GLU 9 -7.505 -4.389 7.342 71 H PHE 10 H PHE 10 -5.611 -2.648 3.666 72 HA PHE 10 HA PHE 10 -5.493 -0.747 5.977 73 1HB PHE 10 1HB PHE 10 -3.435 -1.972 5.614 74 2HB PHE 10 2HB PHE 10 -3.315 -1.463 3.939 75 HD1 PHE 10 HD1 PHE 10 -2.993 -0.415 7.458 76 HD2 PHE 10 HD2 PHE 10 -2.777 0.909 3.419 77 HE1 PHE 10 HE1 PHE 10 -1.916 1.668 8.187 78 HE2 PHE 10 HE2 PHE 10 -1.711 3.015 4.168 79 HZ PHE 10 HZ PHE 10 -1.279 3.384 6.529 80 H ARG 11 H ARG 11 -6.943 0.612 5.379 81 HA ARG 11 HA ARG 11 -6.624 2.062 2.787 82 1HB ARG 11 1HB ARG 11 -9.060 2.677 3.032 83 2HB ARG 11 2HB ARG 11 -8.759 0.971 2.841 84 1HG ARG 11 2HG ARG 11 -9.011 0.669 5.336 85 2HG ARG 11 1HG ARG 11 -9.426 2.370 5.465 86 1HD ARG 11 2HD ARG 11 -11.477 0.995 5.336 87 2HD ARG 11 1HD ARG 11 -11.336 2.058 3.938 88 HE ARG 11 HE ARG 11 -10.550 0.109 2.620 89 1HH1 ARG 11 2HH1 ARG 11 -9.836 -1.567 5.031 90 2HH1 ARG 11 1HH1 ARG 11 -11.121 -2.728 5.046 91 1HH2 ARG 11 2HH2 ARG 11 -13.115 -0.812 2.886 92 2HH2 ARG 11 1HH2 ARG 11 -13.038 -2.282 3.802 93 H SER 12 H SER 12 -5.408 3.653 3.240 94 HA SER 12 HA SER 12 -5.963 5.449 5.569 95 1HB SER 12 2HB SER 12 -3.419 4.602 4.123 96 2HB SER 12 1HB SER 12 -3.330 5.858 5.306 97 HG SER 12 HG SER 12 -3.604 4.423 6.818 98 H ALA 13 H ALA 13 -5.657 7.742 5.125 99 HA ALA 13 HA ALA 13 -6.395 8.430 2.305 100 1HB ALA 13 1HB ALA 13 -6.698 10.018 4.893 101 2HB ALA 13 2HB ALA 13 -7.982 9.120 4.100 102 3HB ALA 13 3HB ALA 13 -7.285 10.524 3.313 103 H ASP 14 H ASP 14 -3.825 7.744 2.955 104 HA ASP 14 HA ASP 14 -2.352 10.234 2.285 105 1HB ASP 14 1HB ASP 14 -2.164 9.489 4.819 106 2HB ASP 14 2HB ASP 14 -1.231 8.142 4.207 107 H SER 15 H SER 15 -0.447 9.753 1.077 108 HA SER 15 HA SER 15 -0.557 7.115 -0.336 109 1HB SER 15 2HB SER 15 -0.958 9.169 -1.761 110 2HB SER 15 1HB SER 15 0.616 9.806 -1.271 111 HG SER 15 HG SER 15 0.047 7.973 -3.130 112 H SER 16 H SER 16 1.570 9.639 0.940 113 HA SER 16 HA SER 16 4.048 8.342 0.780 114 1HB SER 16 2HB SER 16 3.107 10.173 3.062 115 2HB SER 16 1HB SER 16 4.781 9.840 2.613 116 HG SER 16 HG SER 16 3.438 10.468 0.407 117 H ASN 17 H ASN 17 1.500 7.880 3.162 118 HA ASN 17 HA ASN 17 3.147 5.904 4.647 119 1HB ASN 17 1HB ASN 17 0.425 7.063 5.350 120 2HB ASN 17 2HB ASN 17 1.452 6.113 6.412 121 1HD2 ASN 17 1HD2 ASN 17 0.525 9.198 6.050 122 2HD2 ASN 17 2HD2 ASN 17 1.945 10.008 6.500 123 H LEU 18 H LEU 18 1.415 5.618 2.020 124 HA LEU 18 HA LEU 18 0.029 3.087 2.785 125 1HB LEU 18 1HB LEU 18 -1.469 4.721 1.706 126 2HB LEU 18 2HB LEU 18 -0.327 4.963 0.388 127 HG LEU 18 HG LEU 18 -0.716 2.691 -0.451 128 1HD1 LEU 18 1HD1 LEU 18 -2.357 1.175 0.637 129 2HD1 LEU 18 2HD1 LEU 18 -2.599 2.339 1.924 130 3HD1 LEU 18 3HD1 LEU 18 -1.057 1.505 1.761 131 1HD2 LEU 18 1HD2 LEU 18 -3.135 2.889 -0.978 132 2HD2 LEU 18 2HD2 LEU 18 -2.372 4.466 -1.056 133 3HD2 LEU 18 3HD2 LEU 18 -3.327 4.015 0.356 134 H LYS 19 H LYS 19 2.161 4.666 0.460 135 HA LYS 19 HA LYS 19 2.901 2.198 -0.860 136 1HB LYS 19 1HB LYS 19 4.468 4.854 -0.670 137 2HB LYS 19 2HB LYS 19 4.698 3.634 -1.914 138 1HG LYS 19 2HG LYS 19 2.155 5.288 -1.480 139 2HG LYS 19 1HG LYS 19 3.327 5.559 -2.741 140 1HD LYS 19 2HD LYS 19 2.713 3.630 -3.939 141 2HD LYS 19 1HD LYS 19 1.947 2.856 -2.560 142 1HE LYS 19 2HE LYS 19 0.175 3.704 -3.969 143 2HE LYS 19 1HE LYS 19 0.243 4.753 -2.559 144 1HZ LYS 19 1HZ LYS 19 0.416 5.491 -5.196 145 2HZ LYS 19 2HZ LYS 19 1.988 5.682 -4.579 146 3HZ LYS 19 3HZ LYS 19 0.692 6.465 -3.819 147 H THR 20 H THR 20 4.404 4.209 1.696 148 HA THR 20 HA THR 20 6.596 2.435 2.130 149 HB THR 20 HB THR 20 5.077 4.165 4.225 150 HG1 THR 20 HG1 THR 20 5.860 5.580 2.917 151 1HG2 THR 20 1HG2 THR 20 7.247 4.155 5.442 152 2HG2 THR 20 2HG2 THR 20 8.008 3.229 4.156 153 3HG2 THR 20 3HG2 THR 20 6.802 2.475 5.178 154 H HIS 21 H HIS 21 3.321 2.510 3.473 155 HA HIS 21 HA HIS 21 3.483 0.369 5.249 156 1HB HIS 21 1HB HIS 21 1.368 1.522 5.137 157 2HB HIS 21 2HB HIS 21 1.199 1.276 3.416 158 HD1 HIS 21 HD1 HIS 21 1.063 -0.752 6.577 159 HD2 HIS 21 HD2 HIS 21 -0.062 -1.042 2.664 160 HE1 HIS 21 HE1 HIS 21 -0.282 -2.820 6.393 161 H ILE 22 H ILE 22 2.413 0.067 1.833 162 HA ILE 22 HA ILE 22 2.402 -2.645 1.538 163 HB ILE 22 HB ILE 22 3.252 -0.473 -0.430 164 1HG1 ILE 22 2HG1 ILE 22 0.603 -1.970 -0.198 165 2HG1 ILE 22 1HG1 ILE 22 0.895 -0.485 0.671 166 1HG2 ILE 22 1HG2 ILE 22 4.091 -2.654 -1.250 167 2HG2 ILE 22 2HG2 ILE 22 2.755 -2.114 -2.228 168 3HG2 ILE 22 3HG2 ILE 22 2.508 -3.370 -1.019 169 1HD1 ILE 22 1HD ILE 22 -0.263 -0.021 -1.458 170 2HD1 ILE 22 2HD ILE 22 1.027 -0.795 -2.363 171 3HD1 ILE 22 3HD ILE 22 1.341 0.690 -1.482 172 H LYS 23 H LYS 23 5.287 -0.628 1.178 173 HA LYS 23 HA LYS 23 7.069 -2.734 0.467 174 1HB LYS 23 1HB LYS 23 7.446 -0.328 0.068 175 2HB LYS 23 2HB LYS 23 7.603 -0.070 1.791 176 1HG LYS 23 2HG LYS 23 9.566 -1.749 1.740 177 2HG LYS 23 1HG LYS 23 9.431 -1.731 -0.005 178 1HD LYS 23 2HD LYS 23 11.157 -0.141 0.592 179 2HD LYS 23 1HD LYS 23 9.771 0.787 0.064 180 1HE LYS 23 2HE LYS 23 10.733 1.751 2.149 181 2HE LYS 23 1HE LYS 23 9.108 1.176 2.457 182 1HZ LYS 23 1HZ LYS 23 10.914 -0.931 2.886 183 2HZ LYS 23 2HZ LYS 23 9.883 -0.160 3.992 184 3HZ LYS 23 3HZ LYS 23 11.454 0.437 3.734 185 H THR 24 H THR 24 6.581 -1.188 3.617 186 HA THR 24 HA THR 24 8.419 -2.987 4.955 187 HB THR 24 HB THR 24 6.515 -0.867 6.099 188 HG1 THR 24 HG1 THR 24 9.131 -0.302 5.908 189 1HG2 THR 24 1HG2 THR 24 7.623 -2.453 7.859 190 2HG2 THR 24 2HG2 THR 24 8.160 -0.790 7.960 191 3HG2 THR 24 3HG2 THR 24 9.171 -1.992 7.178 192 H LYS 25 H LYS 25 5.115 -3.294 4.192 193 HA LYS 25 HA LYS 25 4.751 -5.315 6.364 194 1HB LYS 25 1HB LYS 25 2.754 -3.543 4.942 195 2HB LYS 25 2HB LYS 25 2.245 -4.936 5.873 196 1HG LYS 25 2HG LYS 25 2.133 -3.171 7.432 197 2HG LYS 25 1HG LYS 25 3.661 -3.926 7.818 198 1HD LYS 25 2HD LYS 25 4.720 -2.080 6.240 199 2HD LYS 25 1HD LYS 25 3.140 -1.351 6.316 200 1HE LYS 25 2HE LYS 25 4.611 -0.340 7.987 201 2HE LYS 25 1HE LYS 25 3.331 -1.235 8.802 202 1HZ LYS 25 1HZ LYS 25 4.854 -2.438 9.808 203 2HZ LYS 25 2HZ LYS 25 6.083 -1.559 9.031 204 3HZ LYS 25 3HZ LYS 25 5.473 -2.974 8.320 205 H HIS 26 H HIS 26 4.486 -4.977 2.854 206 HA HIS 26 HA HIS 26 3.688 -7.848 2.741 207 1HB HIS 26 1HB HIS 26 3.166 -5.650 0.725 208 2HB HIS 26 2HB HIS 26 2.631 -7.317 0.592 209 HD1 HIS 26 HD1 HIS 26 1.253 -7.979 3.003 210 HD2 HIS 26 HD2 HIS 26 1.147 -4.086 1.780 211 HE1 HIS 26 HE1 HIS 26 -0.692 -6.950 4.122 212 H SER 27 H SER 27 5.454 -5.476 0.946 213 HA SER 27 HA SER 27 7.265 -7.593 -0.181 214 1HB SER 27 2HB SER 27 5.920 -6.414 -1.923 215 2HB SER 27 1HB SER 27 6.552 -4.851 -1.375 216 HG SER 27 HG SER 27 8.289 -5.277 -2.444 217 H LYS 28 H LYS 28 8.539 -7.515 1.675 218 HA LYS 28 HA LYS 28 10.069 -5.019 2.219 219 1HB LYS 28 1HB LYS 28 8.911 -6.163 4.056 220 2HB LYS 28 2HB LYS 28 9.808 -7.633 3.757 221 1HG LYS 28 2HG LYS 28 11.964 -6.320 4.277 222 2HG LYS 28 1HG LYS 28 10.955 -4.958 4.703 223 1HD LYS 28 2HD LYS 28 10.780 -7.718 5.993 224 2HD LYS 28 1HD LYS 28 11.677 -6.378 6.673 225 1HE LYS 28 2HE LYS 28 8.657 -6.337 6.173 226 2HE LYS 28 1HE LYS 28 9.432 -6.595 7.723 227 1HZ LYS 28 1HZ LYS 28 9.555 -4.444 7.977 228 2HZ LYS 28 2HZ LYS 28 8.871 -4.179 6.448 229 3HZ LYS 28 3HZ LYS 28 10.553 -4.307 6.611 230 H GLU 29 H GLU 29 11.616 -7.946 3.066 231 HA GLU 29 HA GLU 29 13.435 -7.776 0.707 232 1HB GLU 29 1HB GLU 29 14.286 -7.745 3.630 233 2HB GLU 29 2HB GLU 29 15.387 -7.869 2.267 234 1HG GLU 29 2HG GLU 29 14.654 -5.674 1.418 235 2HG GLU 29 1HG GLU 29 13.460 -5.528 2.691 236 H LYS 30 H LYS 30 12.240 -9.752 0.109 237 HA LYS 30 HA LYS 30 13.435 -12.166 1.440 238 1HB LYS 30 1HB LYS 30 11.446 -13.417 0.848 239 2HB LYS 30 2HB LYS 30 10.979 -12.034 1.822 240 1HG LYS 30 2HG LYS 30 10.374 -10.793 -0.296 241 2HG LYS 30 1HG LYS 30 10.751 -12.229 -1.220 242 1HD LYS 30 2HD LYS 30 8.592 -12.032 0.916 243 2HD LYS 30 1HD LYS 30 8.316 -12.005 -0.813 244 1HE LYS 30 2HE LYS 30 7.852 -14.262 -0.183 245 2HE LYS 30 1HE LYS 30 9.461 -14.336 -0.877 246 1HZ LYS 30 1HZ LYS 30 10.212 -15.141 1.006 247 2HZ LYS 30 2HZ LYS 30 8.647 -15.087 1.668 248 3HZ LYS 30 3HZ LYS 30 9.695 -13.765 1.857 Start of MODEL 2 1 1H LYS 1 1H LYS 1 -10.897 8.197 -3.648 2 2H LYS 1 2H LYS 1 -11.963 9.331 -4.319 3 3H LYS 1 3H LYS 1 -12.565 7.884 -3.663 4 HA LYS 1 HA LYS 1 -12.133 10.343 -2.403 5 1HB LYS 1 2HB LYS 1 -13.186 7.598 -1.587 6 2HB LYS 1 1HB LYS 1 -13.021 8.858 -0.385 7 1HG LYS 1 2HG LYS 1 -15.300 8.856 -1.258 8 2HG LYS 1 1HG LYS 1 -14.503 10.353 -1.672 9 1HD LYS 1 2HD LYS 1 -15.774 9.624 -3.583 10 2HD LYS 1 1HD LYS 1 -14.087 9.452 -3.996 11 1HE LYS 1 2HE LYS 1 -14.250 6.980 -3.487 12 2HE LYS 1 1HE LYS 1 -15.940 7.206 -3.065 13 1HZ LYS 1 1HZ LYS 1 -14.830 6.813 -5.592 14 2HZ LYS 1 2HZ LYS 1 -15.508 8.370 -5.560 15 3HZ LYS 1 3HZ LYS 1 -16.462 7.019 -5.176 16 H THR 2 H THR 2 -10.891 7.147 -1.436 17 HA THR 2 HA THR 2 -8.527 8.511 -0.184 18 HB THR 2 HB THR 2 -10.157 7.598 1.529 19 HG1 THR 2 HG1 THR 2 -7.987 5.935 1.757 20 1HG2 THR 2 1HG2 THR 2 -9.278 4.858 0.460 21 2HG2 THR 2 2HG2 THR 2 -10.899 5.496 0.241 22 3HG2 THR 2 3HG2 THR 2 -10.301 5.142 1.854 23 H TYR 3 H TYR 3 -7.031 6.473 0.415 24 HA TYR 3 HA TYR 3 -6.436 5.028 -2.133 25 1HB TYR 3 1HB TYR 3 -4.396 5.971 -0.065 26 2HB TYR 3 2HB TYR 3 -4.083 5.360 -1.678 27 HD1 TYR 3 HD1 TYR 3 -5.709 6.822 -3.494 28 HD2 TYR 3 HD2 TYR 3 -3.930 8.244 0.104 29 HE1 TYR 3 HE1 TYR 3 -5.779 9.104 -4.365 30 HE2 TYR 3 HE2 TYR 3 -3.994 10.525 -0.769 31 HH TYR 3 HH TYR 3 -5.226 11.213 -4.033 32 H GLN 4 H GLN 4 -6.175 2.866 -1.904 33 HA GLN 4 HA GLN 4 -6.004 1.764 0.870 34 1HB GLN 4 1HB GLN 4 -8.038 1.261 -1.237 35 2HB GLN 4 2HB GLN 4 -7.422 -0.190 -0.492 36 1HG GLN 4 2HG GLN 4 -7.841 1.165 1.776 37 2HG GLN 4 1HG GLN 4 -8.983 2.058 0.774 38 1HE2 GLN 4 2HE2 GLN 4 -8.217 -0.978 2.219 39 2HE2 GLN 4 1HE2 GLN 4 -9.660 -1.798 1.855 40 H CYS 5 H CYS 5 -5.628 -0.507 0.954 41 HA CYS 5 HA CYS 5 -3.217 -1.170 -0.659 42 1HB CYS 5 1HB CYS 5 -2.983 -1.225 1.765 43 2HB CYS 5 2HB CYS 5 -4.387 -2.287 1.911 44 H GLN 6 H GLN 6 -3.061 -3.175 -1.674 45 HA GLN 6 HA GLN 6 -5.649 -4.600 -2.191 46 1HB GLN 6 1HB GLN 6 -3.325 -4.199 -4.134 47 2HB GLN 6 2HB GLN 6 -4.867 -4.940 -4.506 48 1HG GLN 6 2HG GLN 6 -5.219 -2.767 -5.334 49 2HG GLN 6 1HG GLN 6 -5.893 -2.618 -3.724 50 1HE2 GLN 6 1HE2 GLN 6 -5.181 -0.292 -4.895 51 2HE2 GLN 6 2HE2 GLN 6 -3.749 0.335 -4.230 52 H TYR 7 H TYR 7 -3.823 -5.140 -0.147 53 HA TYR 7 HA TYR 7 -2.932 -7.903 -0.854 54 1HB TYR 7 1HB TYR 7 -1.443 -5.960 0.969 55 2HB TYR 7 2HB TYR 7 -0.871 -7.544 0.470 56 HD1 TYR 7 HD1 TYR 7 -0.902 -7.845 -2.261 57 HD2 TYR 7 HD2 TYR 7 -0.601 -4.123 -0.206 58 HE1 TYR 7 HE1 TYR 7 0.067 -6.804 -4.260 59 HE2 TYR 7 HE2 TYR 7 0.354 -3.102 -2.195 60 HH TYR 7 HH TYR 7 0.950 -3.362 -4.292 61 H CYS 8 H CYS 8 -3.496 -5.628 1.786 62 HA CYS 8 HA CYS 8 -5.014 -7.730 3.292 63 1HB CYS 8 1HB CYS 8 -4.141 -6.844 5.354 64 2HB CYS 8 2HB CYS 8 -2.766 -7.151 4.294 65 H GLU 9 H GLU 9 -5.793 -5.931 5.332 66 HA GLU 9 HA GLU 9 -7.829 -4.285 3.881 67 1HB GLU 9 1HB GLU 9 -7.840 -5.504 6.678 68 2HB GLU 9 2HB GLU 9 -9.120 -4.487 6.039 69 1HG GLU 9 2HG GLU 9 -9.469 -6.112 4.167 70 2HG GLU 9 1HG GLU 9 -8.187 -7.121 4.817 71 H PHE 10 H PHE 10 -5.598 -3.065 3.841 72 HA PHE 10 HA PHE 10 -5.449 -1.132 6.122 73 1HB PHE 10 1HB PHE 10 -3.283 -2.148 5.492 74 2HB PHE 10 2HB PHE 10 -3.505 -1.696 3.815 75 HD1 PHE 10 HD1 PHE 10 -2.326 -0.564 7.053 76 HD2 PHE 10 HD2 PHE 10 -3.573 0.776 3.202 77 HE1 PHE 10 HE1 PHE 10 -1.259 1.608 7.449 78 HE2 PHE 10 HE2 PHE 10 -2.503 2.962 3.625 79 HZ PHE 10 HZ PHE 10 -1.367 3.387 5.697 80 H ARG 11 H ARG 11 -5.797 0.977 5.782 81 HA ARG 11 HA ARG 11 -6.389 2.037 3.106 82 1HB ARG 11 1HB ARG 11 -8.602 2.985 3.893 83 2HB ARG 11 2HB ARG 11 -8.614 1.247 3.776 84 1HG ARG 11 2HG ARG 11 -8.193 2.708 6.421 85 2HG ARG 11 1HG ARG 11 -9.759 2.213 5.827 86 1HD ARG 11 2HD ARG 11 -8.922 -0.177 5.734 87 2HD ARG 11 1HD ARG 11 -7.439 0.349 6.528 88 HE ARG 11 HE ARG 11 -10.135 0.638 7.765 89 1HH1 ARG 11 1HH1 ARG 11 -7.536 -1.339 8.023 90 2HH1 ARG 11 2HH1 ARG 11 -7.110 -0.916 9.649 91 1HH2 ARG 11 1HH2 ARG 11 -9.297 1.792 9.770 92 2HH2 ARG 11 2HH2 ARG 11 -8.135 0.872 10.670 93 H SER 12 H SER 12 -5.786 4.113 2.896 94 HA SER 12 HA SER 12 -5.510 5.871 5.240 95 1HB SER 12 2HB SER 12 -3.189 4.958 3.473 96 2HB SER 12 1HB SER 12 -2.963 6.279 4.538 97 HG SER 12 HG SER 12 -2.840 5.016 6.139 98 H ALA 13 H ALA 13 -5.319 8.075 4.649 99 HA ALA 13 HA ALA 13 -6.031 8.666 1.782 100 1HB ALA 13 1HB ALA 13 -7.954 8.999 3.387 101 2HB ALA 13 2HB ALA 13 -7.428 10.522 2.689 102 3HB ALA 13 3HB ALA 13 -6.955 10.097 4.329 103 H ASP 14 H ASP 14 -3.538 8.321 2.741 104 HA ASP 14 HA ASP 14 -2.384 11.082 2.926 105 1HB ASP 14 1HB ASP 14 -1.993 9.569 4.907 106 2HB ASP 14 2HB ASP 14 -1.230 8.398 3.842 107 H SER 15 H SER 15 -1.418 7.885 1.951 108 HA SER 15 HA SER 15 -1.052 7.100 -0.314 109 1HB SER 15 2HB SER 15 -1.312 9.359 -1.481 110 2HB SER 15 1HB SER 15 0.268 9.848 -0.848 111 HG SER 15 HG SER 15 1.123 8.695 -2.343 112 H SER 16 H SER 16 1.237 9.380 1.182 113 HA SER 16 HA SER 16 3.588 7.841 0.687 114 1HB SER 16 2HB SER 16 3.489 10.302 1.508 115 2HB SER 16 1HB SER 16 3.224 9.643 3.127 116 HG SER 16 HG SER 16 5.154 8.246 1.919 117 H ASN 17 H ASN 17 1.336 7.901 3.379 118 HA ASN 17 HA ASN 17 2.717 5.971 5.012 119 1HB ASN 17 1HB ASN 17 0.925 7.636 5.789 120 2HB ASN 17 2HB ASN 17 -0.274 6.598 5.037 121 1HD2 ASN 17 1HD2 ASN 17 -1.229 5.185 6.578 122 2HD2 ASN 17 2HD2 ASN 17 -0.403 4.572 7.918 123 H LEU 18 H LEU 18 0.449 5.751 2.394 124 HA LEU 18 HA LEU 18 -0.228 2.957 2.811 125 1HB LEU 18 1HB LEU 18 -1.812 4.449 1.684 126 2HB LEU 18 2HB LEU 18 -0.614 4.892 0.472 127 HG LEU 18 HG LEU 18 -0.668 2.590 -0.448 128 1HD1 LEU 18 1HD1 LEU 18 -2.379 0.983 0.345 129 2HD1 LEU 18 2HD1 LEU 18 -2.886 2.114 1.586 130 3HD1 LEU 18 3HD1 LEU 18 -1.295 1.367 1.667 131 1HD2 LEU 18 1HD2 LEU 18 -2.975 2.761 -1.362 132 2HD2 LEU 18 2HD2 LEU 18 -2.208 4.334 -1.288 133 3HD2 LEU 18 3HD2 LEU 18 -3.400 3.880 -0.074 134 H LYS 19 H LYS 19 1.823 4.602 0.357 135 HA LYS 19 HA LYS 19 2.741 2.124 -0.745 136 1HB LYS 19 1HB LYS 19 4.600 3.510 -1.751 137 2HB LYS 19 2HB LYS 19 3.045 4.272 -1.959 138 1HG LYS 19 2HG LYS 19 3.510 5.822 -0.097 139 2HG LYS 19 1HG LYS 19 5.030 5.021 0.240 140 1HD LYS 19 2HD LYS 19 5.578 6.954 -1.079 141 2HD LYS 19 1HD LYS 19 5.766 5.573 -2.130 142 1HE LYS 19 2HE LYS 19 4.606 7.195 -3.455 143 2HE LYS 19 1HE LYS 19 3.344 6.079 -2.965 144 1HZ LYS 19 1HZ LYS 19 3.538 8.811 -2.493 145 2HZ LYS 19 2HZ LYS 19 3.607 8.030 -0.992 146 3HZ LYS 19 3HZ LYS 19 2.283 7.793 -2.025 147 H THR 20 H THR 20 4.003 4.096 1.973 148 HA THR 20 HA THR 20 6.313 2.404 2.367 149 HB THR 20 HB THR 20 4.718 4.064 4.445 150 HG1 THR 20 HG1 THR 20 5.415 5.367 2.942 151 1HG2 THR 20 1HG2 THR 20 6.510 2.415 5.401 152 2HG2 THR 20 2HG2 THR 20 6.902 4.108 5.656 153 3HG2 THR 20 3HG2 THR 20 7.683 3.210 4.365 154 H HIS 21 H HIS 21 3.011 2.395 3.792 155 HA HIS 21 HA HIS 21 3.170 0.214 5.452 156 1HB HIS 21 1HB HIS 21 1.020 1.245 5.317 157 2HB HIS 21 2HB HIS 21 0.932 1.134 3.581 158 HD1 HIS 21 HD1 HIS 21 0.864 -1.180 6.533 159 HD2 HIS 21 HD2 HIS 21 -0.225 -1.161 2.591 160 HE1 HIS 21 HE1 HIS 21 -0.359 -3.290 6.133 161 H ILE 22 H ILE 22 2.389 -0.008 1.966 162 HA ILE 22 HA ILE 22 2.471 -2.773 1.692 163 HB ILE 22 HB ILE 22 3.325 -0.615 -0.322 164 1HG1 ILE 22 2HG1 ILE 22 0.628 -2.022 0.004 165 2HG1 ILE 22 1HG1 ILE 22 0.963 -0.474 0.734 166 1HG2 ILE 22 1HG2 ILE 22 2.768 -2.340 -2.057 167 2HG2 ILE 22 2HG2 ILE 22 2.423 -3.505 -0.789 168 3HG2 ILE 22 3HG2 ILE 22 4.058 -2.917 -1.027 169 1HD1 ILE 22 1HD ILE 22 1.050 -1.032 -2.259 170 2HD1 ILE 22 2HD ILE 22 1.402 0.508 -1.499 171 3HD1 ILE 22 3HD ILE 22 -0.210 -0.168 -1.399 172 H LYS 23 H LYS 23 5.162 -0.558 1.143 173 HA LYS 23 HA LYS 23 7.154 -2.420 0.624 174 1HB LYS 23 1HB LYS 23 7.350 -0.004 0.118 175 2HB LYS 23 2HB LYS 23 7.316 0.397 1.819 176 1HG LYS 23 2HG LYS 23 9.618 0.529 0.955 177 2HG LYS 23 1HG LYS 23 9.511 -0.721 2.166 178 1HD LYS 23 2HD LYS 23 9.242 -2.408 0.232 179 2HD LYS 23 1HD LYS 23 9.547 -1.082 -0.873 180 1HE LYS 23 2HE LYS 23 11.648 -2.285 -0.446 181 2HE LYS 23 1HE LYS 23 11.765 -0.714 0.323 182 1HZ LYS 23 1HZ LYS 23 12.059 -1.694 2.260 183 2HZ LYS 23 2HZ LYS 23 12.001 -3.213 1.496 184 3HZ LYS 23 3HZ LYS 23 10.577 -2.519 2.108 185 H THR 24 H THR 24 5.870 -1.716 3.725 186 HA THR 24 HA THR 24 8.231 -3.058 5.020 187 HB THR 24 HB THR 24 7.723 -0.832 5.979 188 HG1 THR 24 HG1 THR 24 8.329 -1.892 7.676 189 1HG2 THR 24 1HG2 THR 24 5.641 -0.471 7.243 190 2HG2 THR 24 2HG2 THR 24 5.052 -2.072 6.842 191 3HG2 THR 24 3HG2 THR 24 5.193 -0.846 5.593 192 H LYS 25 H LYS 25 4.768 -3.349 4.637 193 HA LYS 25 HA LYS 25 4.598 -5.720 6.372 194 1HB LYS 25 1HB LYS 25 2.577 -3.935 5.001 195 2HB LYS 25 2HB LYS 25 2.071 -5.467 5.691 196 1HG LYS 25 2HG LYS 25 3.764 -3.785 7.493 197 2HG LYS 25 1HG LYS 25 2.240 -3.055 7.051 198 1HD LYS 25 2HD LYS 25 2.006 -4.366 9.124 199 2HD LYS 25 1HD LYS 25 1.017 -5.044 7.850 200 1HE LYS 25 2HE LYS 25 2.167 -6.832 9.103 201 2HE LYS 25 1HE LYS 25 2.742 -6.813 7.446 202 1HZ LYS 25 1HZ LYS 25 4.219 -6.571 9.785 203 2HZ LYS 25 2HZ LYS 25 4.334 -5.081 8.971 204 3HZ LYS 25 3HZ LYS 25 4.773 -6.516 8.182 205 H HIS 26 H HIS 26 4.512 -4.986 2.937 206 HA HIS 26 HA HIS 26 4.043 -7.886 2.392 207 1HB HIS 26 1HB HIS 26 3.296 -5.497 0.631 208 2HB HIS 26 2HB HIS 26 2.884 -7.180 0.339 209 HD1 HIS 26 HD1 HIS 26 1.526 -8.117 2.712 210 HD2 HIS 26 HD2 HIS 26 1.108 -4.171 1.690 211 HE1 HIS 26 HE1 HIS 26 -0.523 -7.313 3.823 212 H SER 27 H SER 27 6.541 -6.956 2.981 213 HA SER 27 HA SER 27 7.965 -7.219 0.372 214 1HB SER 27 2HB SER 27 9.657 -5.519 1.254 215 2HB SER 27 1HB SER 27 8.040 -4.821 1.078 216 HG SER 27 HG SER 27 9.467 -5.220 3.306 217 H LYS 28 H LYS 28 7.620 -9.393 1.523 218 HA LYS 28 HA LYS 28 9.117 -11.279 1.837 219 1HB LYS 28 1HB LYS 28 10.550 -9.482 3.904 220 2HB LYS 28 2HB LYS 28 10.845 -11.178 3.710 221 1HG LYS 28 2HG LYS 28 11.212 -9.293 1.373 222 2HG LYS 28 1HG LYS 28 12.486 -9.621 2.529 223 1HD LYS 28 2HD LYS 28 12.151 -12.120 1.993 224 2HD LYS 28 1HD LYS 28 11.038 -11.631 0.731 225 1HE LYS 28 2HE LYS 28 13.284 -11.954 -0.230 226 2HE LYS 28 1HE LYS 28 12.857 -10.249 -0.313 227 1HZ LYS 28 1HZ LYS 28 14.077 -10.740 2.156 228 2HZ LYS 28 2HZ LYS 28 14.620 -9.768 0.872 229 3HZ LYS 28 3HZ LYS 28 15.055 -11.409 0.939 230 H GLU 29 H GLU 29 8.571 -9.238 4.536 231 HA GLU 29 HA GLU 29 7.968 -9.903 6.771 232 1HB GLU 29 1HB GLU 29 6.430 -8.340 5.471 233 2HB GLU 29 2HB GLU 29 5.417 -9.720 5.125 234 1HG GLU 29 2HG GLU 29 4.512 -8.496 7.063 235 2HG GLU 29 1HG GLU 29 5.042 -10.080 7.583 236 H LYS 30 H LYS 30 8.807 -12.208 6.555 237 HA LYS 30 HA LYS 30 6.553 -14.170 6.839 238 1HB LYS 30 1HB LYS 30 8.108 -15.914 6.112 239 2HB LYS 30 2HB LYS 30 8.071 -14.645 4.909 240 1HG LYS 30 2HG LYS 30 10.205 -13.710 5.884 241 2HG LYS 30 1HG LYS 30 10.236 -15.040 7.032 242 1HD LYS 30 2HD LYS 30 10.247 -16.662 5.118 243 2HD LYS 30 1HD LYS 30 10.299 -15.315 4.000 244 1HE LYS 30 2HE LYS 30 12.583 -16.116 4.307 245 2HE LYS 30 1HE LYS 30 12.457 -14.556 5.108 246 1HZ LYS 30 1HZ LYS 30 11.734 -16.545 6.938 247 2HZ LYS 30 2HZ LYS 30 13.071 -15.498 6.980 248 3HZ LYS 30 3HZ LYS 30 13.196 -17.000 6.203 Start of MODEL 3 1 1H LYS 1 1H LYS 1 -11.063 10.229 -4.275 2 2H LYS 1 2H LYS 1 -12.352 9.740 -3.283 3 3H LYS 1 3H LYS 1 -10.918 8.828 -3.325 4 HA LYS 1 HA LYS 1 -10.227 11.434 -2.680 5 1HB LYS 1 2HB LYS 1 -11.475 11.575 -0.443 6 2HB LYS 1 1HB LYS 1 -12.407 11.956 -1.869 7 1HG LYS 1 2HG LYS 1 -13.653 9.974 -1.784 8 2HG LYS 1 1HG LYS 1 -12.463 9.108 -0.844 9 1HD LYS 1 2HD LYS 1 -14.458 9.695 0.522 10 2HD LYS 1 1HD LYS 1 -13.007 10.441 1.153 11 1HE LYS 1 2HE LYS 1 -14.910 12.027 1.157 12 2HE LYS 1 1HE LYS 1 -13.642 12.608 0.095 13 1HZ LYS 1 1HZ LYS 1 -15.372 10.951 -1.368 14 2HZ LYS 1 2HZ LYS 1 -15.066 12.611 -1.565 15 3HZ LYS 1 3HZ LYS 1 -16.299 12.091 -0.516 16 H THR 2 H THR 2 -10.853 8.150 -1.597 17 HA THR 2 HA THR 2 -8.466 8.303 0.196 18 HB THR 2 HB THR 2 -9.493 6.229 1.317 19 HG1 THR 2 HG1 THR 2 -10.931 5.317 0.114 20 1HG2 THR 2 1HG2 THR 2 -11.513 8.525 1.002 21 2HG2 THR 2 2HG2 THR 2 -10.184 8.581 2.147 22 3HG2 THR 2 3HG2 THR 2 -11.445 7.374 2.322 23 H TYR 3 H TYR 3 -7.194 6.350 0.451 24 HA TYR 3 HA TYR 3 -6.894 4.751 -2.049 25 1HB TYR 3 1HB TYR 3 -4.661 5.692 -0.191 26 2HB TYR 3 2HB TYR 3 -4.465 4.809 -1.700 27 HD1 TYR 3 HD1 TYR 3 -6.154 6.258 -3.617 28 HD2 TYR 3 HD2 TYR 3 -3.729 7.787 -0.462 29 HE1 TYR 3 HE1 TYR 3 -5.932 8.380 -4.807 30 HE2 TYR 3 HE2 TYR 3 -3.505 9.903 -1.663 31 HH TYR 3 HH TYR 3 -4.957 10.371 -4.865 32 H GLN 4 H GLN 4 -6.896 2.621 -1.673 33 HA GLN 4 HA GLN 4 -6.625 1.653 1.149 34 1HB GLN 4 1HB GLN 4 -8.937 1.593 -0.322 35 2HB GLN 4 2HB GLN 4 -8.227 0.112 -0.903 36 1HG GLN 4 2HG GLN 4 -8.427 0.681 2.084 37 2HG GLN 4 1HG GLN 4 -9.808 0.064 1.212 38 1HE2 GLN 4 2HE2 GLN 4 -8.096 -1.739 -0.548 39 2HE2 GLN 4 1HE2 GLN 4 -7.628 -2.984 0.510 40 H CYS 5 H CYS 5 -5.771 -0.505 1.296 41 HA CYS 5 HA CYS 5 -3.551 -0.967 -0.588 42 1HB CYS 5 1HB CYS 5 -3.073 -0.883 1.793 43 2HB CYS 5 2HB CYS 5 -4.285 -2.125 2.110 44 H GLN 6 H GLN 6 -3.598 -2.525 -2.107 45 HA GLN 6 HA GLN 6 -5.879 -4.438 -2.079 46 1HB GLN 6 1HB GLN 6 -3.905 -3.659 -4.258 47 2HB GLN 6 2HB GLN 6 -5.213 -4.818 -4.472 48 1HG GLN 6 2HG GLN 6 -6.864 -3.033 -3.797 49 2HG GLN 6 1HG GLN 6 -5.548 -1.874 -3.713 50 1HE2 GLN 6 1HE2 GLN 6 -7.942 -2.975 -5.738 51 2HE2 GLN 6 2HE2 GLN 6 -7.264 -2.537 -7.231 52 H TYR 7 H TYR 7 -4.021 -4.900 -0.240 53 HA TYR 7 HA TYR 7 -2.845 -7.535 -1.003 54 1HB TYR 7 1HB TYR 7 -1.693 -5.421 0.899 55 2HB TYR 7 2HB TYR 7 -1.061 -7.048 0.715 56 HD1 TYR 7 HD1 TYR 7 -0.337 -7.763 -1.673 57 HD2 TYR 7 HD2 TYR 7 -0.835 -3.701 -0.504 58 HE1 TYR 7 HE1 TYR 7 1.082 -7.051 -3.530 59 HE2 TYR 7 HE2 TYR 7 0.593 -2.990 -2.353 60 HH TYR 7 HH TYR 7 1.895 -3.631 -4.028 61 H CYS 8 H CYS 8 -3.744 -5.351 1.585 62 HA CYS 8 HA CYS 8 -5.295 -7.509 2.959 63 1HB CYS 8 1HB CYS 8 -4.577 -6.604 5.098 64 2HB CYS 8 2HB CYS 8 -3.160 -6.972 4.125 65 H GLU 9 H GLU 9 -6.340 -5.964 4.928 66 HA GLU 9 HA GLU 9 -8.218 -4.141 3.460 67 1HB GLU 9 1HB GLU 9 -8.616 -5.580 6.132 68 2HB GLU 9 2HB GLU 9 -9.837 -4.690 5.246 69 1HG GLU 9 2HG GLU 9 -8.479 -7.260 4.293 70 2HG GLU 9 1HG GLU 9 -10.089 -7.154 4.969 71 H PHE 10 H PHE 10 -6.142 -2.895 3.757 72 HA PHE 10 HA PHE 10 -6.228 -1.261 6.263 73 1HB PHE 10 1HB PHE 10 -4.107 -2.458 6.070 74 2HB PHE 10 2HB PHE 10 -3.930 -1.987 4.382 75 HD1 PHE 10 HD1 PHE 10 -4.165 -0.476 7.818 76 HD2 PHE 10 HD2 PHE 10 -2.651 -0.109 3.848 77 HE1 PHE 10 HE1 PHE 10 -2.884 1.517 8.476 78 HE2 PHE 10 HE2 PHE 10 -1.397 1.919 4.528 79 HZ PHE 10 HZ PHE 10 -1.498 2.700 6.798 80 H ARG 11 H ARG 11 -6.759 0.839 5.994 81 HA ARG 11 HA ARG 11 -6.761 1.998 3.218 82 1HB ARG 11 1HB ARG 11 -8.716 3.335 3.899 83 2HB ARG 11 2HB ARG 11 -9.070 1.641 4.149 84 1HG ARG 11 2HG ARG 11 -8.520 1.905 6.595 85 2HG ARG 11 1HG ARG 11 -8.249 3.621 6.322 86 1HD ARG 11 2HD ARG 11 -10.586 3.863 5.494 87 2HD ARG 11 1HD ARG 11 -10.869 2.152 5.823 88 HE ARG 11 HE ARG 11 -10.175 4.151 7.948 89 1HH1 ARG 11 2HH1 ARG 11 -13.007 3.092 7.163 90 2HH1 ARG 11 1HH1 ARG 11 -13.276 1.990 8.471 91 1HH2 ARG 11 2HH2 ARG 11 -9.915 1.990 9.445 92 2HH2 ARG 11 1HH2 ARG 11 -11.487 1.349 9.793 93 H SER 12 H SER 12 -5.854 4.093 3.064 94 HA SER 12 HA SER 12 -4.804 5.269 5.603 95 1HB SER 12 2HB SER 12 -2.885 4.801 3.237 96 2HB SER 12 1HB SER 12 -2.506 5.198 4.857 97 HG SER 12 HG SER 12 -3.157 2.832 3.785 98 H ALA 13 H ALA 13 -5.787 5.716 2.353 99 HA ALA 13 HA ALA 13 -5.929 7.622 0.987 100 1HB ALA 13 1HB ALA 13 -7.301 8.432 3.578 101 2HB ALA 13 2HB ALA 13 -8.003 7.462 2.300 102 3HB ALA 13 3HB ALA 13 -7.626 9.157 2.013 103 H ASP 14 H ASP 14 -3.435 7.698 1.956 104 HA ASP 14 HA ASP 14 -2.922 10.610 2.422 105 1HB ASP 14 1HB ASP 14 -2.332 9.300 4.476 106 2HB ASP 14 2HB ASP 14 -1.346 8.223 3.507 107 H SER 15 H SER 15 -1.328 7.669 1.590 108 HA SER 15 HA SER 15 -0.544 6.980 -0.568 109 1HB SER 15 2HB SER 15 0.358 9.933 -0.936 110 2HB SER 15 1HB SER 15 0.630 8.629 -2.089 111 HG SER 15 HG SER 15 -1.601 10.026 -1.656 112 H SER 16 H SER 16 1.514 9.532 0.907 113 HA SER 16 HA SER 16 3.951 8.145 0.681 114 1HB SER 16 2HB SER 16 3.076 9.993 2.965 115 2HB SER 16 1HB SER 16 4.755 9.583 2.563 116 HG SER 16 HG SER 16 4.634 10.943 0.993 117 H ASN 17 H ASN 17 1.680 8.129 3.333 118 HA ASN 17 HA ASN 17 2.968 6.246 5.015 119 1HB ASN 17 1HB ASN 17 1.081 7.826 5.664 120 2HB ASN 17 2HB ASN 17 -0.020 6.799 4.765 121 1HD2 ASN 17 1HD2 ASN 17 1.174 7.361 7.824 122 2HD2 ASN 17 2HD2 ASN 17 0.866 5.850 8.534 123 H LEU 18 H LEU 18 0.438 5.824 2.531 124 HA LEU 18 HA LEU 18 0.108 3.030 2.906 125 1HB LEU 18 1HB LEU 18 -1.460 4.599 1.716 126 2HB LEU 18 2HB LEU 18 -0.300 4.734 0.397 127 HG LEU 18 HG LEU 18 -0.701 2.517 -0.360 128 1HD1 LEU 18 1HD1 LEU 18 -0.715 1.325 1.861 129 2HD1 LEU 18 2HD1 LEU 18 -2.084 0.875 0.877 130 3HD1 LEU 18 3HD1 LEU 18 -2.296 2.007 2.208 131 1HD2 LEU 18 1HD2 LEU 18 -3.198 2.537 -0.657 132 2HD2 LEU 18 2HD2 LEU 18 -2.531 4.152 -0.828 133 3HD2 LEU 18 3HD2 LEU 18 -3.341 3.687 0.662 134 H LYS 19 H LYS 19 2.214 4.774 0.652 135 HA LYS 19 HA LYS 19 3.274 2.523 -0.677 136 1HB LYS 19 1HB LYS 19 4.546 5.226 0.104 137 2HB LYS 19 2HB LYS 19 5.342 4.110 -0.988 138 1HG LYS 19 2HG LYS 19 3.775 4.435 -2.703 139 2HG LYS 19 1HG LYS 19 2.514 4.987 -1.623 140 1HD LYS 19 2HD LYS 19 3.425 6.853 -2.976 141 2HD LYS 19 1HD LYS 19 3.681 7.122 -1.267 142 1HE LYS 19 2HE LYS 19 6.054 6.360 -1.507 143 2HE LYS 19 1HE LYS 19 5.787 6.089 -3.224 144 1HZ LYS 19 1HZ LYS 19 4.905 8.663 -2.582 145 2HZ LYS 19 2HZ LYS 19 6.202 8.209 -3.579 146 3HZ LYS 19 3HZ LYS 19 6.454 8.460 -1.918 147 H THR 20 H THR 20 4.544 4.168 2.214 148 HA THR 20 HA THR 20 6.631 2.299 2.722 149 HB THR 20 HB THR 20 4.890 3.800 4.822 150 HG1 THR 20 HG1 THR 20 5.609 5.235 3.324 151 1HG2 THR 20 1HG2 THR 20 6.702 2.158 5.696 152 2HG2 THR 20 2HG2 THR 20 7.012 3.832 6.114 153 3HG2 THR 20 3HG2 THR 20 7.883 3.087 4.784 154 H HIS 21 H HIS 21 3.288 2.291 3.965 155 HA HIS 21 HA HIS 21 3.264 -0.047 5.391 156 1HB HIS 21 1HB HIS 21 1.263 1.326 5.177 157 2HB HIS 21 2HB HIS 21 1.144 1.036 3.460 158 HD1 HIS 21 HD1 HIS 21 0.587 -0.769 6.674 159 HD2 HIS 21 HD2 HIS 21 0.025 -1.340 2.669 160 HE1 HIS 21 HE1 HIS 21 -0.816 -2.797 6.451 161 H ILE 22 H ILE 22 2.745 0.107 1.814 162 HA ILE 22 HA ILE 22 2.667 -2.700 1.433 163 HB ILE 22 HB ILE 22 3.579 -0.500 -0.480 164 1HG1 ILE 22 2HG1 ILE 22 0.860 -1.864 -0.196 165 2HG1 ILE 22 1HG1 ILE 22 1.225 -0.332 0.562 166 1HG2 ILE 22 1HG2 ILE 22 4.302 -2.764 -1.256 167 2HG2 ILE 22 2HG2 ILE 22 3.013 -2.160 -2.273 168 3HG2 ILE 22 3HG2 ILE 22 2.667 -3.362 -1.040 169 1HD1 ILE 22 1HD ILE 22 1.720 0.665 -1.653 170 2HD1 ILE 22 2HD ILE 22 0.082 0.036 -1.581 171 3HD1 ILE 22 3HD ILE 22 1.323 -0.856 -2.440 172 H LYS 23 H LYS 23 5.462 -0.549 1.234 173 HA LYS 23 HA LYS 23 7.313 -2.702 0.677 174 1HB LYS 23 1HB LYS 23 7.535 -0.441 -0.306 175 2HB LYS 23 2HB LYS 23 7.680 0.264 1.289 176 1HG LYS 23 2HG LYS 23 9.856 -0.771 1.636 177 2HG LYS 23 1HG LYS 23 9.694 -1.728 0.168 178 1HD LYS 23 2HD LYS 23 9.701 0.361 -1.182 179 2HD LYS 23 1HD LYS 23 9.751 1.327 0.283 180 1HE LYS 23 2HE LYS 23 11.922 -0.666 -0.496 181 2HE LYS 23 1HE LYS 23 12.011 1.063 -0.791 182 1HZ LYS 23 1HZ LYS 23 12.651 -0.330 1.534 183 2HZ LYS 23 2HZ LYS 23 11.331 0.678 1.888 184 3HZ LYS 23 3HZ LYS 23 12.750 1.340 1.238 185 H THR 24 H THR 24 5.886 -1.949 3.467 186 HA THR 24 HA THR 24 8.255 -2.775 5.127 187 HB THR 24 HB THR 24 5.882 -1.023 5.975 188 HG1 THR 24 HG1 THR 24 7.153 0.352 5.020 189 1HG2 THR 24 1HG2 THR 24 8.556 -1.665 7.366 190 2HG2 THR 24 2HG2 THR 24 7.026 -2.365 7.875 191 3HG2 THR 24 3HG2 THR 24 7.280 -0.633 7.995 192 H LYS 25 H LYS 25 4.834 -3.167 4.617 193 HA LYS 25 HA LYS 25 4.600 -5.412 6.504 194 1HB LYS 25 1HB LYS 25 2.517 -3.834 4.937 195 2HB LYS 25 2HB LYS 25 2.115 -5.138 6.032 196 1HG LYS 25 2HG LYS 25 3.548 -2.542 6.766 197 2HG LYS 25 1HG LYS 25 1.856 -2.885 7.058 198 1HD LYS 25 2HD LYS 25 2.524 -4.819 8.528 199 2HD LYS 25 1HD LYS 25 4.212 -4.395 8.288 200 1HE LYS 25 2HE LYS 25 3.437 -3.425 10.394 201 2HE LYS 25 1HE LYS 25 3.777 -2.134 9.249 202 1HZ LYS 25 1HZ LYS 25 1.114 -2.932 8.923 203 2HZ LYS 25 2HZ LYS 25 1.715 -1.440 9.471 204 3HZ LYS 25 3HZ LYS 25 1.393 -2.686 10.578 205 H HIS 26 H HIS 26 4.292 -4.723 3.054 206 HA HIS 26 HA HIS 26 3.819 -7.659 2.602 207 1HB HIS 26 1HB HIS 26 3.223 -5.270 0.792 208 2HB HIS 26 2HB HIS 26 2.812 -6.940 0.448 209 HD1 HIS 26 HD1 HIS 26 1.253 -7.964 2.548 210 HD2 HIS 26 HD2 HIS 26 1.137 -3.922 1.979 211 HE1 HIS 26 HE1 HIS 26 -0.821 -7.166 3.636 212 H SER 27 H SER 27 6.248 -6.698 3.278 213 HA SER 27 HA SER 27 7.898 -7.318 0.888 214 1HB SER 27 2HB SER 27 9.470 -5.444 1.507 215 2HB SER 27 1HB SER 27 7.845 -4.802 1.211 216 HG SER 27 HG SER 27 7.683 -4.355 3.253 217 H LYS 28 H LYS 28 10.235 -7.321 1.748 218 HA LYS 28 HA LYS 28 11.513 -9.198 2.606 219 1HB LYS 28 1HB LYS 28 11.348 -6.852 4.493 220 2HB LYS 28 2HB LYS 28 12.661 -8.002 4.518 221 1HG LYS 28 2HG LYS 28 13.464 -7.395 2.379 222 2HG LYS 28 1HG LYS 28 11.981 -6.612 1.904 223 1HD LYS 28 2HD LYS 28 13.631 -5.488 4.184 224 2HD LYS 28 1HD LYS 28 14.041 -5.129 2.523 225 1HE LYS 28 2HE LYS 28 12.608 -3.333 3.233 226 2HE LYS 28 1HE LYS 28 11.587 -4.340 2.232 227 1HZ LYS 28 1HZ LYS 28 10.227 -4.631 3.902 228 2HZ LYS 28 2HZ LYS 28 11.154 -3.561 4.835 229 3HZ LYS 28 3HZ LYS 28 11.465 -5.220 4.905 230 H GLU 29 H GLU 29 9.773 -10.741 3.009 231 HA GLU 29 HA GLU 29 9.465 -11.337 5.922 232 1HB GLU 29 1HB GLU 29 7.275 -12.372 5.398 233 2HB GLU 29 2HB GLU 29 7.285 -10.673 5.010 234 1HG GLU 29 2HG GLU 29 7.760 -12.793 2.869 235 2HG GLU 29 1HG GLU 29 6.152 -12.293 3.332 236 H LYS 30 H LYS 30 9.220 -13.526 6.433 237 HA LYS 30 HA LYS 30 10.972 -15.351 6.320 238 1HB LYS 30 1HB LYS 30 8.128 -16.017 5.503 239 2HB LYS 30 2HB LYS 30 9.293 -17.224 6.016 240 1HG LYS 30 2HG LYS 30 9.560 -16.035 8.199 241 2HG LYS 30 1HG LYS 30 8.388 -14.832 7.688 242 1HD LYS 30 2HD LYS 30 6.641 -16.575 7.486 243 2HD LYS 30 1HD LYS 30 7.805 -17.812 7.929 244 1HE LYS 30 2HE LYS 30 8.113 -16.733 10.150 245 2HE LYS 30 1HE LYS 30 6.969 -15.472 9.702 246 1HZ LYS 30 1HZ LYS 30 6.437 -17.980 10.787 247 2HZ LYS 30 2HZ LYS 30 5.770 -17.947 9.226 248 3HZ LYS 30 3HZ LYS 30 5.339 -16.760 10.359 Start of MODEL 4 1 1H LYS 1 1H LYS 1 -11.386 11.342 -2.169 2 2H LYS 1 2H LYS 1 -10.749 11.246 -0.601 3 3H LYS 1 3H LYS 1 -12.428 11.162 -0.838 4 HA LYS 1 HA LYS 1 -12.318 8.987 -0.972 5 1HB LYS 1 2HB LYS 1 -10.381 9.588 -3.256 6 2HB LYS 1 1HB LYS 1 -10.933 7.969 -2.904 7 1HG LYS 1 2HG LYS 1 -12.838 10.254 -3.544 8 2HG LYS 1 1HG LYS 1 -12.201 9.149 -4.746 9 1HD LYS 1 2HD LYS 1 -13.157 7.213 -3.421 10 2HD LYS 1 1HD LYS 1 -13.905 8.369 -2.334 11 1HE LYS 1 2HE LYS 1 -15.228 9.317 -4.180 12 2HE LYS 1 1HE LYS 1 -14.432 8.249 -5.332 13 1HZ LYS 1 1HZ LYS 1 -15.891 6.697 -4.850 14 2HZ LYS 1 2HZ LYS 1 -16.664 7.733 -3.749 15 3HZ LYS 1 3HZ LYS 1 -15.422 6.706 -3.219 16 H THR 2 H THR 2 -10.906 7.055 -0.936 17 HA THR 2 HA THR 2 -8.388 7.537 0.621 18 HB THR 2 HB THR 2 -9.026 5.460 1.974 19 HG1 THR 2 HG1 THR 2 -10.489 4.299 1.033 20 1HG2 THR 2 1HG2 THR 2 -11.359 7.466 1.852 21 2HG2 THR 2 2HG2 THR 2 -9.909 7.735 2.803 22 3HG2 THR 2 3HG2 THR 2 -10.974 6.397 3.192 23 H TYR 3 H TYR 3 -7.010 5.583 0.587 24 HA TYR 3 HA TYR 3 -7.033 4.228 -2.083 25 1HB TYR 3 1HB TYR 3 -4.638 4.785 -0.295 26 2HB TYR 3 2HB TYR 3 -4.602 4.236 -1.964 27 HD1 TYR 3 HD1 TYR 3 -6.226 6.015 -3.492 28 HD2 TYR 3 HD2 TYR 3 -3.907 6.942 -0.033 29 HE1 TYR 3 HE1 TYR 3 -6.107 8.364 -4.184 30 HE2 TYR 3 HE2 TYR 3 -3.793 9.279 -0.732 31 HH TYR 3 HH TYR 3 -4.384 10.785 -2.240 32 H GLN 4 H GLN 4 -6.940 2.027 -1.990 33 HA GLN 4 HA GLN 4 -6.903 0.789 0.734 34 1HB GLN 4 1HB GLN 4 -8.987 0.450 -0.573 35 2HB GLN 4 2HB GLN 4 -8.062 -0.273 -1.872 36 1HG GLN 4 2HG GLN 4 -9.000 -2.068 -0.477 37 2HG GLN 4 1HG GLN 4 -7.270 -2.077 -0.269 38 1HE2 GLN 4 1HE2 GLN 4 -6.761 -2.425 1.908 39 2HE2 GLN 4 2HE2 GLN 4 -7.644 -1.794 3.209 40 H CYS 5 H CYS 5 -5.352 -0.398 1.227 41 HA CYS 5 HA CYS 5 -2.900 -0.649 0.295 42 1HB CYS 5 1HB CYS 5 -3.609 -1.511 2.400 43 2HB CYS 5 2HB CYS 5 -4.496 -2.826 1.648 44 H GLN 6 H GLN 6 -5.111 -3.281 -0.465 45 HA GLN 6 HA GLN 6 -5.316 -4.177 -2.763 46 1HB GLN 6 1HB GLN 6 -3.247 -3.014 -3.684 47 2HB GLN 6 2HB GLN 6 -2.239 -4.104 -2.743 48 1HG GLN 6 2HG GLN 6 -3.297 -6.045 -4.042 49 2HG GLN 6 1HG GLN 6 -4.065 -4.835 -5.067 50 1HE2 GLN 6 1HE2 GLN 6 -1.389 -6.798 -4.931 51 2HE2 GLN 6 2HE2 GLN 6 -0.320 -5.877 -5.871 52 H TYR 7 H TYR 7 -3.022 -4.820 -0.298 53 HA TYR 7 HA TYR 7 -3.194 -7.763 -0.587 54 1HB TYR 7 1HB TYR 7 -1.481 -6.028 1.233 55 2HB TYR 7 2HB TYR 7 -1.294 -7.763 1.016 56 HD1 TYR 7 HD1 TYR 7 -0.764 -8.627 -1.355 57 HD2 TYR 7 HD2 TYR 7 -0.521 -4.497 -0.333 58 HE1 TYR 7 HE1 TYR 7 0.602 -8.207 -3.345 59 HE2 TYR 7 HE2 TYR 7 0.833 -4.083 -2.324 60 HH TYR 7 HH TYR 7 1.938 -4.992 -4.011 61 H CYS 8 H CYS 8 -3.530 -5.428 2.103 62 HA CYS 8 HA CYS 8 -5.339 -7.410 3.444 63 1HB CYS 8 1HB CYS 8 -4.626 -6.469 5.566 64 2HB CYS 8 2HB CYS 8 -3.203 -6.877 4.626 65 H GLU 9 H GLU 9 -6.409 -5.820 5.318 66 HA GLU 9 HA GLU 9 -8.287 -4.122 3.736 67 1HB GLU 9 1HB GLU 9 -8.604 -5.238 6.567 68 2HB GLU 9 2HB GLU 9 -9.827 -4.389 5.656 69 1HG GLU 9 2HG GLU 9 -10.356 -6.710 5.428 70 2HG GLU 9 1HG GLU 9 -9.722 -6.198 3.880 71 H PHE 10 H PHE 10 -5.976 -2.966 4.029 72 HA PHE 10 HA PHE 10 -6.182 -0.993 6.269 73 1HB PHE 10 1HB PHE 10 -4.034 -2.201 6.162 74 2HB PHE 10 2HB PHE 10 -3.809 -1.745 4.479 75 HD1 PHE 10 HD1 PHE 10 -4.326 -0.232 7.893 76 HD2 PHE 10 HD2 PHE 10 -2.613 0.245 4.016 77 HE1 PHE 10 HE1 PHE 10 -3.249 1.851 8.620 78 HE2 PHE 10 HE2 PHE 10 -1.559 2.386 4.783 79 HZ PHE 10 HZ PHE 10 -1.862 3.146 7.029 80 H ARG 11 H ARG 11 -7.180 0.729 5.687 81 HA ARG 11 HA ARG 11 -6.920 1.853 2.921 82 1HB ARG 11 1HB ARG 11 -9.148 3.006 3.450 83 2HB ARG 11 2HB ARG 11 -9.246 1.293 3.172 84 1HG ARG 11 2HG ARG 11 -9.247 2.574 5.934 85 2HG ARG 11 1HG ARG 11 -10.684 2.164 5.031 86 1HD ARG 11 2HD ARG 11 -9.654 -0.278 4.945 87 2HD ARG 11 1HD ARG 11 -8.665 0.281 6.287 88 HE ARG 11 HE ARG 11 -11.634 0.272 6.357 89 1HH1 ARG 11 1HH2 ARG 11 -9.241 -1.497 7.671 90 2HH1 ARG 11 2HH2 ARG 11 -9.554 -1.080 9.319 91 1HH2 ARG 11 2HH1 ARG 11 -11.681 1.571 8.470 92 2HH2 ARG 11 1HH1 ARG 11 -10.946 0.728 9.791 93 H SER 12 H SER 12 -5.979 3.695 2.830 94 HA SER 12 HA SER 12 -5.751 5.460 5.248 95 1HB SER 12 2HB SER 12 -3.415 4.848 3.358 96 2HB SER 12 1HB SER 12 -3.235 5.499 4.936 97 HG SER 12 HG SER 12 -4.682 3.409 5.370 98 H ALA 13 H ALA 13 -5.140 7.712 4.615 99 HA ALA 13 HA ALA 13 -5.952 8.372 1.808 100 1HB ALA 13 1HB ALA 13 -7.893 8.683 3.304 101 2HB ALA 13 2HB ALA 13 -7.329 10.230 2.697 102 3HB ALA 13 3HB ALA 13 -6.947 9.741 4.342 103 H ASP 14 H ASP 14 -3.362 8.184 2.554 104 HA ASP 14 HA ASP 14 -2.465 11.049 2.670 105 1HB ASP 14 1HB ASP 14 -1.818 9.779 4.732 106 2HB ASP 14 2HB ASP 14 -1.013 8.579 3.733 107 H SER 15 H SER 15 -1.035 7.976 1.964 108 HA SER 15 HA SER 15 -0.549 7.079 -0.253 109 1HB SER 15 2HB SER 15 -1.035 9.226 -1.571 110 2HB SER 15 1HB SER 15 0.454 9.935 -0.922 111 HG SER 15 HG SER 15 1.482 8.843 -2.356 112 H SER 16 H SER 16 1.477 9.713 1.030 113 HA SER 16 HA SER 16 3.968 8.378 0.730 114 1HB SER 16 2HB SER 16 4.817 10.122 2.368 115 2HB SER 16 1HB SER 16 3.786 10.839 1.116 116 HG SER 16 HG SER 16 3.387 10.734 3.753 117 H ASN 17 H ASN 17 1.480 7.719 2.859 118 HA ASN 17 HA ASN 17 3.226 6.400 4.886 119 1HB ASN 17 1HB ASN 17 1.413 7.926 5.725 120 2HB ASN 17 2HB ASN 17 0.213 6.964 4.877 121 1HD2 ASN 17 1HD2 ASN 17 1.531 7.441 7.885 122 2HD2 ASN 17 2HD2 ASN 17 1.223 5.920 8.569 123 H LEU 18 H LEU 18 0.411 5.861 2.786 124 HA LEU 18 HA LEU 18 0.148 3.099 3.181 125 1HB LEU 18 1HB LEU 18 -1.529 4.513 1.996 126 2HB LEU 18 2HB LEU 18 -0.425 4.704 0.641 127 HG LEU 18 HG LEU 18 -0.518 2.257 0.190 128 1HD1 LEU 18 1HD1 LEU 18 -2.121 0.823 1.456 129 2HD1 LEU 18 2HD1 LEU 18 -2.520 2.170 2.502 130 3HD1 LEU 18 3HD1 LEU 18 -0.918 1.454 2.543 131 1HD2 LEU 18 1HD2 LEU 18 -2.206 3.746 -0.864 132 2HD2 LEU 18 2HD2 LEU 18 -3.270 3.486 0.510 133 3HD2 LEU 18 3HD2 LEU 18 -2.871 2.151 -0.557 134 H LYS 19 H LYS 19 2.206 4.765 0.782 135 HA LYS 19 HA LYS 19 3.048 2.386 -0.538 136 1HB LYS 19 1HB LYS 19 4.929 3.781 -1.418 137 2HB LYS 19 2HB LYS 19 3.528 4.827 -1.325 138 1HG LYS 19 2HG LYS 19 4.318 5.681 0.891 139 2HG LYS 19 1HG LYS 19 5.730 4.649 0.764 140 1HD LYS 19 2HD LYS 19 6.400 5.842 -1.337 141 2HD LYS 19 1HD LYS 19 5.112 7.003 -1.023 142 1HE LYS 19 2HE LYS 19 7.217 7.825 -0.005 143 2HE LYS 19 1HE LYS 19 6.096 7.407 1.280 144 1HZ LYS 19 1HZ LYS 19 8.642 6.434 0.916 145 2HZ LYS 19 2HZ LYS 19 7.612 5.153 0.492 146 3HZ LYS 19 3HZ LYS 19 7.464 5.853 2.015 147 H THR 20 H THR 20 4.415 4.038 2.281 148 HA THR 20 HA THR 20 6.620 2.262 2.682 149 HB THR 20 HB THR 20 4.953 3.807 4.809 150 HG1 THR 20 HG1 THR 20 7.326 4.845 4.138 151 1HG2 THR 20 1HG2 THR 20 7.048 3.728 6.130 152 2HG2 THR 20 2HG2 THR 20 7.868 2.851 4.849 153 3HG2 THR 20 3HG2 THR 20 6.582 2.076 5.760 154 H HIS 21 H HIS 21 3.351 2.240 4.002 155 HA HIS 21 HA HIS 21 3.400 -0.107 5.474 156 1HB HIS 21 1HB HIS 21 1.417 1.302 5.418 157 2HB HIS 21 2HB HIS 21 1.175 1.030 3.707 158 HD1 HIS 21 HD1 HIS 21 0.694 -0.741 6.941 159 HD2 HIS 21 HD2 HIS 21 0.072 -1.398 2.961 160 HE1 HIS 21 HE1 HIS 21 -0.727 -2.766 6.779 161 H ILE 22 H ILE 22 2.540 0.012 1.958 162 HA ILE 22 HA ILE 22 2.509 -2.844 1.699 163 HB ILE 22 HB ILE 22 2.908 -0.723 -0.487 164 1HG1 ILE 22 2HG1 ILE 22 0.352 -2.100 0.496 165 2HG1 ILE 22 1HG1 ILE 22 0.804 -0.487 0.991 166 1HG2 ILE 22 1HG2 ILE 22 2.049 -2.464 -1.996 167 2HG2 ILE 22 2HG2 ILE 22 2.005 -3.602 -0.649 168 3HG2 ILE 22 3HG2 ILE 22 3.534 -2.997 -1.252 169 1HD1 ILE 22 1HD ILE 22 0.759 0.282 -1.357 170 2HD1 ILE 22 2HD ILE 22 -0.792 -0.369 -0.856 171 3HD1 ILE 22 3HD ILE 22 0.258 -1.317 -1.892 172 H LYS 23 H LYS 23 5.172 -0.632 1.609 173 HA LYS 23 HA LYS 23 6.972 -2.612 0.386 174 1HB LYS 23 1HB LYS 23 7.439 0.219 1.407 175 2HB LYS 23 2HB LYS 23 8.669 -0.748 0.621 176 1HG LYS 23 2HG LYS 23 7.465 -0.780 -1.463 177 2HG LYS 23 1HG LYS 23 6.026 -0.078 -0.743 178 1HD LYS 23 2HD LYS 23 7.252 2.021 -0.263 179 2HD LYS 23 1HD LYS 23 8.746 1.318 -0.855 180 1HE LYS 23 2HE LYS 23 6.251 1.796 -2.543 181 2HE LYS 23 1HE LYS 23 7.699 2.793 -2.550 182 1HZ LYS 23 1HZ LYS 23 8.490 0.149 -2.908 183 2HZ LYS 23 2HZ LYS 23 8.596 1.439 -4.005 184 3HZ LYS 23 3HZ LYS 23 7.211 0.454 -3.985 185 H THR 24 H THR 24 5.920 -1.967 3.442 186 HA THR 24 HA THR 24 8.399 -3.086 4.711 187 HB THR 24 HB THR 24 6.208 -1.367 6.004 188 HG1 THR 24 HG1 THR 24 7.315 -0.191 4.603 189 1HG2 THR 24 1HG2 THR 24 9.085 -2.045 6.879 190 2HG2 THR 24 2HG2 THR 24 7.684 -2.832 7.590 191 3HG2 THR 24 3HG2 THR 24 7.912 -1.103 7.787 192 H LYS 25 H LYS 25 4.927 -3.270 4.592 193 HA LYS 25 HA LYS 25 4.740 -5.614 6.336 194 1HB LYS 25 1HB LYS 25 2.590 -4.010 4.891 195 2HB LYS 25 2HB LYS 25 2.279 -5.244 6.093 196 1HG LYS 25 2HG LYS 25 3.832 -2.667 6.589 197 2HG LYS 25 1HG LYS 25 2.133 -2.876 6.923 198 1HD LYS 25 2HD LYS 25 2.699 -4.723 8.541 199 2HD LYS 25 1HD LYS 25 4.404 -4.451 8.226 200 1HE LYS 25 2HE LYS 25 3.690 -3.237 10.274 201 2HE LYS 25 1HE LYS 25 4.193 -2.103 9.032 202 1HZ LYS 25 1HZ LYS 25 1.462 -2.609 8.703 203 2HZ LYS 25 2HZ LYS 25 2.228 -1.160 9.137 204 3HZ LYS 25 3HZ LYS 25 1.743 -2.258 10.339 205 H HIS 26 H HIS 26 4.153 -4.689 2.955 206 HA HIS 26 HA HIS 26 3.686 -7.597 2.345 207 1HB HIS 26 1HB HIS 26 2.832 -5.122 0.800 208 2HB HIS 26 2HB HIS 26 2.433 -6.778 0.382 209 HD1 HIS 26 HD1 HIS 26 1.292 -7.986 2.756 210 HD2 HIS 26 HD2 HIS 26 0.816 -3.969 2.215 211 HE1 HIS 26 HE1 HIS 26 -0.641 -7.324 4.155 212 H SER 27 H SER 27 6.119 -6.873 2.778 213 HA SER 27 HA SER 27 7.524 -7.165 0.166 214 1HB SER 27 2HB SER 27 7.777 -4.787 1.082 215 2HB SER 27 1HB SER 27 8.475 -5.465 2.557 216 HG SER 27 HG SER 27 9.645 -6.569 0.409 217 H LYS 28 H LYS 28 9.958 -7.756 1.174 218 HA LYS 28 HA LYS 28 10.790 -10.015 1.658 219 1HB LYS 28 1HB LYS 28 11.793 -9.536 3.984 220 2HB LYS 28 2HB LYS 28 12.064 -8.318 2.751 221 1HG LYS 28 2HG LYS 28 10.097 -7.010 3.629 222 2HG LYS 28 1HG LYS 28 9.880 -8.210 4.889 223 1HD LYS 28 2HD LYS 28 12.084 -7.671 5.827 224 2HD LYS 28 1HD LYS 28 12.410 -6.566 4.499 225 1HE LYS 28 2HE LYS 28 11.641 -5.299 6.477 226 2HE LYS 28 1HE LYS 28 10.448 -5.171 5.196 227 1HZ LYS 28 1HZ LYS 28 10.108 -6.141 7.780 228 2HZ LYS 28 2HZ LYS 28 9.847 -7.436 6.714 229 3HZ LYS 28 3HZ LYS 28 8.952 -6.000 6.541 230 H GLU 29 H GLU 29 8.721 -11.144 1.473 231 HA GLU 29 HA GLU 29 7.632 -12.200 4.046 232 1HB GLU 29 1HB GLU 29 6.052 -11.094 2.448 233 2HB GLU 29 2HB GLU 29 6.487 -12.277 1.233 234 1HG GLU 29 2HG GLU 29 5.588 -14.094 2.721 235 2HG GLU 29 1HG GLU 29 5.173 -12.879 3.923 236 H LYS 30 H LYS 30 9.202 -13.031 1.074 237 HA LYS 30 HA LYS 30 9.217 -15.939 1.772 238 1HB LYS 30 1HB LYS 30 9.887 -14.554 -0.852 239 2HB LYS 30 2HB LYS 30 9.837 -16.287 -0.594 240 1HG LYS 30 2HG LYS 30 7.436 -16.217 -0.129 241 2HG LYS 30 1HG LYS 30 7.425 -14.463 -0.188 242 1HD LYS 30 2HD LYS 30 8.142 -14.539 -2.572 243 2HD LYS 30 1HD LYS 30 8.145 -16.297 -2.514 244 1HE LYS 30 2HE LYS 30 5.713 -16.296 -2.010 245 2HE LYS 30 1HE LYS 30 5.707 -14.535 -2.014 246 1HZ LYS 30 1HZ LYS 30 5.447 -14.573 -4.177 247 2HZ LYS 30 2HZ LYS 30 5.463 -16.273 -4.179 248 3HZ LYS 30 3HZ LYS 30 6.912 -15.413 -4.372 Start of MODEL 5 1 1H LYS 1 1H LYS 1 -13.126 8.518 -1.780 2 2H LYS 1 2H LYS 1 -11.482 8.228 -2.088 3 3H LYS 1 3H LYS 1 -12.274 9.516 -2.854 4 HA LYS 1 HA LYS 1 -11.723 10.864 -1.249 5 1HB LYS 1 2HB LYS 1 -12.573 10.424 1.109 6 2HB LYS 1 1HB LYS 1 -13.803 10.400 -0.132 7 1HG LYS 1 2HG LYS 1 -14.037 8.031 -0.055 8 2HG LYS 1 1HG LYS 1 -12.542 7.784 0.812 9 1HD LYS 1 2HD LYS 1 -13.478 8.963 2.790 10 2HD LYS 1 1HD LYS 1 -14.973 9.232 1.916 11 1HE LYS 1 2HE LYS 1 -15.147 7.291 3.447 12 2HE LYS 1 1HE LYS 1 -15.377 6.807 1.779 13 1HZ LYS 1 1HZ LYS 1 -13.529 5.851 3.623 14 2HZ LYS 1 2HZ LYS 1 -12.633 6.553 2.370 15 3HZ LYS 1 3HZ LYS 1 -13.772 5.365 2.020 16 H THR 2 H THR 2 -11.101 7.564 -0.185 17 HA THR 2 HA THR 2 -8.422 8.407 0.838 18 HB THR 2 HB THR 2 -8.711 6.577 2.606 19 HG1 THR 2 HG1 THR 2 -10.634 5.944 0.821 20 1HG2 THR 2 1HG2 THR 2 -10.625 7.509 3.878 21 2HG2 THR 2 2HG2 THR 2 -11.301 8.232 2.438 22 3HG2 THR 2 3HG2 THR 2 -9.840 8.886 3.129 23 H TYR 3 H TYR 3 -7.060 6.265 1.106 24 HA TYR 3 HA TYR 3 -7.198 4.759 -1.481 25 1HB TYR 3 1HB TYR 3 -4.751 5.501 0.197 26 2HB TYR 3 2HB TYR 3 -4.722 4.506 -1.257 27 HD1 TYR 3 HD1 TYR 3 -6.164 5.783 -3.288 28 HD2 TYR 3 HD2 TYR 3 -3.939 7.638 -0.165 29 HE1 TYR 3 HE1 TYR 3 -5.888 7.786 -4.668 30 HE2 TYR 3 HE2 TYR 3 -3.655 9.631 -1.547 31 HH TYR 3 HH TYR 3 -5.216 9.921 -4.706 32 H GLN 4 H GLN 4 -7.157 2.617 -1.321 33 HA GLN 4 HA GLN 4 -6.951 1.386 1.411 34 1HB GLN 4 1HB GLN 4 -9.228 1.434 0.121 35 2HB GLN 4 2HB GLN 4 -8.504 0.265 -0.959 36 1HG GLN 4 2HG GLN 4 -8.490 -0.197 2.039 37 2HG GLN 4 1HG GLN 4 -9.910 -0.587 1.093 38 1HE2 GLN 4 2HE2 GLN 4 -6.980 -1.796 2.215 39 2HE2 GLN 4 1HE2 GLN 4 -6.886 -3.191 1.265 40 H CYS 5 H CYS 5 -5.819 -0.581 1.443 41 HA CYS 5 HA CYS 5 -3.554 -0.787 -0.327 42 1HB CYS 5 1HB CYS 5 -3.524 -1.317 2.095 43 2HB CYS 5 2HB CYS 5 -4.583 -2.695 1.799 44 H GLN 6 H GLN 6 -2.950 -2.888 -1.379 45 HA GLN 6 HA GLN 6 -5.330 -4.205 -2.664 46 1HB GLN 6 1HB GLN 6 -2.620 -3.616 -3.927 47 2HB GLN 6 2HB GLN 6 -4.004 -4.336 -4.734 48 1HG GLN 6 2HG GLN 6 -5.313 -2.243 -4.384 49 2HG GLN 6 1HG GLN 6 -3.941 -1.515 -3.562 50 1HE2 GLN 6 1HE2 GLN 6 -5.426 -1.630 -6.531 51 2HE2 GLN 6 2HE2 GLN 6 -4.099 -1.241 -7.516 52 H TYR 7 H TYR 7 -3.516 -4.843 -0.341 53 HA TYR 7 HA TYR 7 -2.799 -7.628 -1.168 54 1HB TYR 7 1HB TYR 7 -1.259 -5.881 0.787 55 2HB TYR 7 2HB TYR 7 -0.749 -7.449 0.183 56 HD1 TYR 7 HD1 TYR 7 -0.775 -7.551 -2.563 57 HD2 TYR 7 HD2 TYR 7 -0.310 -3.999 -0.252 58 HE1 TYR 7 HE1 TYR 7 0.253 -6.430 -4.480 59 HE2 TYR 7 HE2 TYR 7 0.715 -2.889 -2.169 60 HH TYR 7 HH TYR 7 1.232 -3.020 -4.310 61 H CYS 8 H CYS 8 -3.373 -5.455 1.542 62 HA CYS 8 HA CYS 8 -4.887 -7.619 2.967 63 1HB CYS 8 1HB CYS 8 -4.154 -6.707 5.062 64 2HB CYS 8 2HB CYS 8 -2.717 -6.883 4.063 65 H GLU 9 H GLU 9 -5.942 -6.076 4.905 66 HA GLU 9 HA GLU 9 -7.880 -4.343 3.436 67 1HB GLU 9 1HB GLU 9 -9.354 -4.953 5.530 68 2HB GLU 9 2HB GLU 9 -9.095 -6.152 4.291 69 1HG GLU 9 2HG GLU 9 -8.829 -7.126 6.563 70 2HG GLU 9 1HG GLU 9 -7.353 -7.270 5.642 71 H PHE 10 H PHE 10 -5.811 -2.964 3.863 72 HA PHE 10 HA PHE 10 -6.164 -1.351 6.370 73 1HB PHE 10 1HB PHE 10 -3.841 -2.191 6.121 74 2HB PHE 10 2HB PHE 10 -3.767 -1.610 4.465 75 HD1 PHE 10 HD1 PHE 10 -3.915 -0.538 8.022 76 HD2 PHE 10 HD2 PHE 10 -3.345 0.742 3.994 77 HE1 PHE 10 HE1 PHE 10 -3.142 1.654 8.816 78 HE2 PHE 10 HE2 PHE 10 -2.581 2.959 4.821 79 HZ PHE 10 HZ PHE 10 -2.473 3.395 7.193 80 H ARG 11 H ARG 11 -6.744 0.784 6.096 81 HA ARG 11 HA ARG 11 -6.668 1.988 3.382 82 1HB ARG 11 1HB ARG 11 -8.963 0.888 3.760 83 2HB ARG 11 2HB ARG 11 -9.158 1.948 5.130 84 1HG ARG 11 2HG ARG 11 -8.967 3.952 3.635 85 2HG ARG 11 1HG ARG 11 -8.757 2.890 2.259 86 1HD ARG 11 2HD ARG 11 -11.106 3.636 2.401 87 2HD ARG 11 1HD ARG 11 -11.007 1.898 2.679 88 HE ARG 11 HE ARG 11 -11.180 2.399 5.128 89 1HH1 ARG 11 1HH1 ARG 11 -10.698 5.370 4.734 90 2HH1 ARG 11 2HH1 ARG 11 -12.294 6.007 4.965 91 1HH2 ARG 11 2HH2 ARG 11 -13.810 2.871 4.577 92 2HH2 ARG 11 1HH2 ARG 11 -14.105 4.552 4.865 93 H SER 12 H SER 12 -6.296 4.136 3.487 94 HA SER 12 HA SER 12 -6.448 5.510 6.109 95 1HB SER 12 2HB SER 12 -3.974 4.694 4.629 96 2HB SER 12 1HB SER 12 -3.791 6.140 5.530 97 HG SER 12 HG SER 12 -3.957 5.042 7.301 98 H ALA 13 H ALA 13 -5.046 6.264 2.964 99 HA ALA 13 HA ALA 13 -6.188 7.809 1.383 100 1HB ALA 13 1HB ALA 13 -7.854 8.703 3.044 101 2HB ALA 13 2HB ALA 13 -7.032 9.997 2.210 102 3HB ALA 13 3HB ALA 13 -6.573 9.587 3.851 103 H ASP 14 H ASP 14 -3.486 7.292 2.501 104 HA ASP 14 HA ASP 14 -2.292 9.964 1.830 105 1HB ASP 14 1HB ASP 14 -1.990 8.967 4.284 106 2HB ASP 14 2HB ASP 14 -0.867 7.878 3.508 107 H SER 15 H SER 15 -0.321 9.867 0.652 108 HA SER 15 HA SER 15 0.167 7.281 -0.762 109 1HB SER 15 2HB SER 15 0.324 8.650 -2.920 110 2HB SER 15 1HB SER 15 -1.259 8.831 -2.162 111 HG SER 15 HG SER 15 0.638 10.684 -2.554 112 H SER 16 H SER 16 1.470 8.644 1.407 113 HA SER 16 HA SER 16 4.251 8.816 0.333 114 1HB SER 16 2HB SER 16 3.087 10.451 2.681 115 2HB SER 16 1HB SER 16 4.716 10.585 2.019 116 HG SER 16 HG SER 16 3.923 11.802 0.529 117 H ASN 17 H ASN 17 1.972 8.025 2.793 118 HA ASN 17 HA ASN 17 3.877 6.343 4.299 119 1HB ASN 17 1HB ASN 17 2.472 7.986 5.573 120 2HB ASN 17 2HB ASN 17 1.021 7.201 4.971 121 1HD2 ASN 17 2HD2 ASN 17 0.189 5.688 6.392 122 2HD2 ASN 17 1HD2 ASN 17 1.092 4.800 7.524 123 H LEU 18 H LEU 18 0.814 6.152 2.415 124 HA LEU 18 HA LEU 18 0.267 3.426 3.043 125 1HB LEU 18 1HB LEU 18 -1.334 4.899 1.827 126 2HB LEU 18 2HB LEU 18 -0.268 4.914 0.426 127 HG LEU 18 HG LEU 18 -0.628 2.513 0.045 128 1HD1 LEU 18 1HD1 LEU 18 -0.844 1.739 2.432 129 2HD1 LEU 18 2HD1 LEU 18 -2.189 1.194 1.459 130 3HD1 LEU 18 3HD1 LEU 18 -2.394 2.551 2.546 131 1HD2 LEU 18 1HD2 LEU 18 -2.331 4.095 -0.847 132 2HD2 LEU 18 2HD2 LEU 18 -3.246 3.946 0.647 133 3HD2 LEU 18 3HD2 LEU 18 -3.075 2.563 -0.423 134 H LYS 19 H LYS 19 2.506 4.908 0.808 135 HA LYS 19 HA LYS 19 3.212 2.475 -0.595 136 1HB LYS 19 1HB LYS 19 4.838 5.046 -0.103 137 2HB LYS 19 2HB LYS 19 5.242 3.807 -1.283 138 1HG LYS 19 2HG LYS 19 3.182 4.244 -2.536 139 2HG LYS 19 1HG LYS 19 2.610 5.357 -1.312 140 1HD LYS 19 2HD LYS 19 3.468 6.646 -3.183 141 2HD LYS 19 1HD LYS 19 4.528 6.883 -1.811 142 1HE LYS 19 2HE LYS 19 5.124 4.832 -3.978 143 2HE LYS 19 1HE LYS 19 5.685 6.492 -4.071 144 1HZ LYS 19 1HZ LYS 19 7.368 5.956 -2.798 145 2HZ LYS 19 2HZ LYS 19 6.812 4.355 -2.684 146 3HZ LYS 19 3HZ LYS 19 6.322 5.512 -1.540 147 H THR 20 H THR 20 4.557 4.195 2.182 148 HA THR 20 HA THR 20 6.692 2.382 2.760 149 HB THR 20 HB THR 20 4.983 3.912 4.864 150 HG1 THR 20 HG1 THR 20 7.139 5.222 3.944 151 1HG2 THR 20 1HG2 THR 20 7.167 4.173 6.001 152 2HG2 THR 20 2HG2 THR 20 8.016 3.426 4.657 153 3HG2 THR 20 3HG2 THR 20 6.973 2.456 5.681 154 H HIS 21 H HIS 21 3.357 2.420 3.825 155 HA HIS 21 HA HIS 21 3.244 0.170 5.452 156 1HB HIS 21 1HB HIS 21 1.230 1.493 5.171 157 2HB HIS 21 2HB HIS 21 1.214 1.275 3.437 158 HD1 HIS 21 HD1 HIS 21 0.331 -0.566 6.532 159 HD2 HIS 21 HD2 HIS 21 0.214 -1.161 2.493 160 HE1 HIS 21 HE1 HIS 21 -1.033 -2.591 6.169 161 H ILE 22 H ILE 22 2.600 0.167 1.901 162 HA ILE 22 HA ILE 22 2.563 -2.573 1.483 163 HB ILE 22 HB ILE 22 3.716 -0.405 -0.340 164 1HG1 ILE 22 2HG1 ILE 22 0.932 -1.678 -0.284 165 2HG1 ILE 22 1HG1 ILE 22 1.292 -0.134 0.442 166 1HG2 ILE 22 1HG2 ILE 22 4.439 -2.689 -1.060 167 2HG2 ILE 22 2HG2 ILE 22 3.278 -2.041 -2.190 168 3HG2 ILE 22 3HG2 ILE 22 2.775 -3.238 -1.005 169 1HD1 ILE 22 1HD ILE 22 1.987 0.772 -1.767 170 2HD1 ILE 22 2HD ILE 22 0.332 0.190 -1.796 171 3HD1 ILE 22 3HD ILE 22 1.607 -0.769 -2.523 172 H LYS 23 H LYS 23 5.460 -0.552 1.510 173 HA LYS 23 HA LYS 23 7.304 -2.702 0.998 174 1HB LYS 23 1HB LYS 23 7.573 -0.221 0.498 175 2HB LYS 23 2HB LYS 23 7.931 0.010 2.197 176 1HG LYS 23 2HG LYS 23 9.898 -1.373 2.077 177 2HG LYS 23 1HG LYS 23 9.467 -1.986 0.487 178 1HD LYS 23 2HD LYS 23 9.663 0.389 -0.391 179 2HD LYS 23 1HD LYS 23 10.238 0.875 1.195 180 1HE LYS 23 2HE LYS 23 12.177 -0.629 0.994 181 2HE LYS 23 1HE LYS 23 11.572 -1.248 -0.537 182 1HZ LYS 23 1HZ LYS 23 12.560 0.406 -1.560 183 2HZ LYS 23 2HZ LYS 23 13.146 1.002 -0.080 184 3HZ LYS 23 3HZ LYS 23 11.652 1.539 -0.681 185 H THR 24 H THR 24 5.787 -1.762 3.860 186 HA THR 24 HA THR 24 7.863 -3.019 5.610 187 HB THR 24 HB THR 24 5.430 -1.291 6.317 188 HG1 THR 24 HG1 THR 24 6.919 -0.093 5.395 189 1HG2 THR 24 1HG2 THR 24 6.226 -2.833 8.235 190 2HG2 THR 24 2HG2 THR 24 6.511 -1.132 8.547 191 3HG2 THR 24 3HG2 THR 24 7.837 -2.160 8.028 192 H LYS 25 H LYS 25 4.531 -3.294 4.693 193 HA LYS 25 HA LYS 25 4.041 -5.680 6.342 194 1HB LYS 25 1HB LYS 25 2.152 -4.044 4.623 195 2HB LYS 25 2HB LYS 25 1.654 -5.310 5.730 196 1HG LYS 25 2HG LYS 25 2.942 -2.632 6.390 197 2HG LYS 25 1HG LYS 25 1.302 -3.122 6.739 198 1HD LYS 25 2HD LYS 25 2.152 -4.884 8.297 199 2HD LYS 25 1HD LYS 25 3.790 -4.322 8.011 200 1HE LYS 25 2HE LYS 25 1.548 -2.606 9.144 201 2HE LYS 25 1HE LYS 25 2.876 -3.295 10.067 202 1HZ LYS 25 1HZ LYS 25 4.099 -1.567 9.537 203 2HZ LYS 25 2HZ LYS 25 2.823 -0.909 8.631 204 3HZ LYS 25 3HZ LYS 25 3.955 -1.929 7.886 205 H HIS 26 H HIS 26 4.254 -4.814 2.933 206 HA HIS 26 HA HIS 26 3.719 -7.687 2.277 207 1HB HIS 26 1HB HIS 26 3.204 -5.247 0.545 208 2HB HIS 26 2HB HIS 26 2.734 -6.898 0.190 209 HD1 HIS 26 HD1 HIS 26 1.324 -7.885 2.490 210 HD2 HIS 26 HD2 HIS 26 1.078 -3.890 1.676 211 HE1 HIS 26 HE1 HIS 26 -0.688 -7.062 3.653 212 H SER 27 H SER 27 6.330 -6.275 2.814 213 HA SER 27 HA SER 27 7.771 -7.375 0.453 214 1HB SER 27 2HB SER 27 7.678 -4.840 0.193 215 2HB SER 27 1HB SER 27 8.464 -4.699 1.770 216 HG SER 27 HG SER 27 9.567 -5.235 -0.592 217 H LYS 28 H LYS 28 8.165 -5.841 3.523 218 HA LYS 28 HA LYS 28 9.958 -8.048 4.502 219 1HB LYS 28 1HB LYS 28 10.038 -5.119 5.400 220 2HB LYS 28 2HB LYS 28 11.224 -6.368 5.749 221 1HG LYS 28 2HG LYS 28 11.818 -6.509 3.356 222 2HG LYS 28 1HG LYS 28 10.580 -5.338 2.956 223 1HD LYS 28 2HD LYS 28 11.820 -3.695 4.514 224 2HD LYS 28 1HD LYS 28 13.141 -4.855 4.516 225 1HE LYS 28 2HE LYS 28 13.503 -3.233 2.698 226 2HE LYS 28 1HE LYS 28 13.126 -4.792 1.979 227 1HZ LYS 28 1HZ LYS 28 10.735 -3.368 2.501 228 2HZ LYS 28 2HZ LYS 28 11.330 -3.937 1.037 229 3HZ LYS 28 3HZ LYS 28 11.795 -2.400 1.606 230 H GLU 29 H GLU 29 7.352 -8.235 4.542 231 HA GLU 29 HA GLU 29 5.383 -7.661 5.986 232 1HB GLU 29 1HB GLU 29 5.862 -9.977 5.137 233 2HB GLU 29 2HB GLU 29 6.682 -10.331 6.647 234 1HG GLU 29 2HG GLU 29 4.492 -9.615 7.824 235 2HG GLU 29 1HG GLU 29 3.748 -9.629 6.240 236 H LYS 30 H LYS 30 7.813 -9.263 7.997 237 HA LYS 30 HA LYS 30 6.937 -7.598 10.335 238 1HB LYS 30 1HB LYS 30 8.073 -10.437 10.318 239 2HB LYS 30 2HB LYS 30 7.645 -9.532 11.755 240 1HG LYS 30 2HG LYS 30 5.686 -10.349 9.572 241 2HG LYS 30 1HG LYS 30 5.882 -11.184 11.098 242 1HD LYS 30 2HD LYS 30 5.299 -8.975 12.272 243 2HD LYS 30 1HD LYS 30 4.884 -8.331 10.693 244 1HE LYS 30 2HE LYS 30 3.587 -10.775 11.965 245 2HE LYS 30 1HE LYS 30 2.872 -9.173 11.858 246 1HZ LYS 30 1HZ LYS 30 2.828 -11.217 9.965 247 2HZ LYS 30 2HZ LYS 30 3.717 -9.927 9.314 248 3HZ LYS 30 3HZ LYS 30 2.136 -9.666 9.865 Start of MODEL 6 1 1H LYS 1 1H LYS 1 -6.183 11.807 -2.728 2 2H LYS 1 2H LYS 1 -7.201 13.137 -3.018 3 3H LYS 1 3H LYS 1 -6.863 12.045 -4.267 4 HA LYS 1 HA LYS 1 -8.936 11.975 -2.385 5 1HB LYS 1 2HB LYS 1 -9.725 10.151 -3.867 6 2HB LYS 1 1HB LYS 1 -9.083 11.468 -4.821 7 1HG LYS 1 2HG LYS 1 -6.878 10.167 -4.990 8 2HG LYS 1 1HG LYS 1 -7.716 8.799 -4.287 9 1HD LYS 1 2HD LYS 1 -8.547 10.244 -6.853 10 2HD LYS 1 1HD LYS 1 -7.709 8.710 -6.785 11 1HE LYS 1 2HE LYS 1 -9.648 7.657 -5.676 12 2HE LYS 1 1HE LYS 1 -10.496 9.196 -5.628 13 1HZ LYS 1 1HZ LYS 1 -11.247 8.827 -7.625 14 2HZ LYS 1 2HZ LYS 1 -10.446 7.334 -7.684 15 3HZ LYS 1 3HZ LYS 1 -9.676 8.737 -8.257 16 H THR 2 H THR 2 -9.455 9.206 -2.058 17 HA THR 2 HA THR 2 -7.519 8.636 0.128 18 HB THR 2 HB THR 2 -9.266 6.887 0.817 19 HG1 THR 2 HG1 THR 2 -11.166 7.864 -0.818 20 1HG2 THR 2 1HG2 THR 2 -10.483 9.652 0.225 21 2HG2 THR 2 2HG2 THR 2 -9.493 9.303 1.633 22 3HG2 THR 2 3HG2 THR 2 -11.044 8.510 1.439 23 H TYR 3 H TYR 3 -6.704 6.460 0.414 24 HA TYR 3 HA TYR 3 -6.334 4.948 -2.097 25 1HB TYR 3 1HB TYR 3 -4.257 5.477 0.060 26 2HB TYR 3 2HB TYR 3 -4.035 4.702 -1.503 27 HD1 TYR 3 HD1 TYR 3 -4.497 6.144 -3.633 28 HD2 TYR 3 HD2 TYR 3 -3.989 7.813 0.252 29 HE1 TYR 3 HE1 TYR 3 -4.000 8.331 -4.625 30 HE2 TYR 3 HE2 TYR 3 -3.477 9.991 -0.741 31 HH TYR 3 HH TYR 3 -3.442 10.415 -4.271 32 H GLN 4 H GLN 4 -6.249 2.794 -1.894 33 HA GLN 4 HA GLN 4 -6.841 1.558 0.767 34 1HB GLN 4 1HB GLN 4 -8.882 1.602 -0.563 35 2HB GLN 4 2HB GLN 4 -8.033 1.063 -1.992 36 1HG GLN 4 2HG GLN 4 -9.402 -0.743 -0.997 37 2HG GLN 4 1HG GLN 4 -7.706 -1.171 -1.006 38 1HE2 GLN 4 2HE2 GLN 4 -6.929 -1.923 0.909 39 2HE2 GLN 4 1HE2 GLN 4 -7.634 -1.664 2.424 40 H CYS 5 H CYS 5 -5.733 -0.368 1.227 41 HA CYS 5 HA CYS 5 -3.313 -0.864 -0.305 42 1HB CYS 5 1HB CYS 5 -3.333 -1.121 2.143 43 2HB CYS 5 2HB CYS 5 -4.604 -2.335 2.025 44 H GLN 6 H GLN 6 -2.826 -2.812 -1.412 45 HA GLN 6 HA GLN 6 -5.217 -4.353 -2.373 46 1HB GLN 6 1HB GLN 6 -2.604 -3.784 -3.837 47 2HB GLN 6 2HB GLN 6 -4.018 -4.588 -4.507 48 1HG GLN 6 2HG GLN 6 -5.339 -2.456 -4.138 49 2HG GLN 6 1HG GLN 6 -3.888 -1.685 -3.525 50 1HE2 GLN 6 1HE2 GLN 6 -3.380 -3.881 -6.214 51 2HE2 GLN 6 2HE2 GLN 6 -3.189 -2.668 -7.387 52 H TYR 7 H TYR 7 -3.835 -4.945 -0.043 53 HA TYR 7 HA TYR 7 -2.809 -7.661 -0.679 54 1HB TYR 7 1HB TYR 7 -1.455 -5.671 1.158 55 2HB TYR 7 2HB TYR 7 -0.962 -7.348 0.966 56 HD1 TYR 7 HD1 TYR 7 -0.397 -8.108 -1.481 57 HD2 TYR 7 HD2 TYR 7 -0.551 -4.035 -0.258 58 HE1 TYR 7 HE1 TYR 7 0.961 -7.481 -3.414 59 HE2 TYR 7 HE2 TYR 7 0.818 -3.404 -2.194 60 HH TYR 7 HH TYR 7 2.055 -4.156 -3.916 61 H CYS 8 H CYS 8 -3.424 -5.516 2.051 62 HA CYS 8 HA CYS 8 -4.901 -7.723 3.436 63 1HB CYS 8 1HB CYS 8 -4.083 -6.816 5.525 64 2HB CYS 8 2HB CYS 8 -2.717 -7.037 4.435 65 H GLU 9 H GLU 9 -5.472 -5.477 5.486 66 HA GLU 9 HA GLU 9 -8.018 -4.640 4.256 67 1HB GLU 9 1HB GLU 9 -7.980 -5.808 6.505 68 2HB GLU 9 2HB GLU 9 -7.110 -4.435 7.153 69 1HG GLU 9 2HG GLU 9 -9.499 -4.154 7.655 70 2HG GLU 9 1HG GLU 9 -9.022 -2.930 6.497 71 H PHE 10 H PHE 10 -5.421 -3.234 6.075 72 HA PHE 10 HA PHE 10 -5.625 -0.727 6.585 73 1HB PHE 10 1HB PHE 10 -3.424 -1.798 6.209 74 2HB PHE 10 2HB PHE 10 -3.553 -1.481 4.487 75 HD1 PHE 10 HD1 PHE 10 -3.080 0.012 7.809 76 HD2 PHE 10 HD2 PHE 10 -3.341 0.867 3.642 77 HE1 PHE 10 HE1 PHE 10 -2.187 2.263 8.216 78 HE2 PHE 10 HE2 PHE 10 -2.450 3.144 4.071 79 HZ PHE 10 HZ PHE 10 -1.877 3.826 6.333 80 H ARG 11 H ARG 11 -6.714 0.981 6.007 81 HA ARG 11 HA ARG 11 -6.777 1.883 3.150 82 1HB ARG 11 1HB ARG 11 -9.097 2.655 3.434 83 2HB ARG 11 2HB ARG 11 -9.018 0.940 3.690 84 1HG ARG 11 2HG ARG 11 -9.134 2.957 5.985 85 2HG ARG 11 1HG ARG 11 -10.531 2.198 5.276 86 1HD ARG 11 2HD ARG 11 -8.334 0.818 6.851 87 2HD ARG 11 1HD ARG 11 -10.057 0.880 7.190 88 HE ARG 11 HE ARG 11 -8.772 -0.762 5.078 89 1HH1 ARG 11 2HH2 ARG 11 -10.692 -1.457 7.459 90 2HH1 ARG 11 1HH2 ARG 11 -12.094 -1.931 6.554 91 1HH2 ARG 11 2HH1 ARG 11 -10.855 -0.554 3.574 92 2HH2 ARG 11 1HH1 ARG 11 -12.200 -1.391 4.283 93 H SER 12 H SER 12 -6.282 4.028 2.960 94 HA SER 12 HA SER 12 -6.363 5.762 5.346 95 1HB SER 12 2HB SER 12 -3.864 4.731 4.002 96 2HB SER 12 1HB SER 12 -3.746 6.262 4.804 97 HG SER 12 HG SER 12 -5.169 4.614 6.371 98 H ALA 13 H ALA 13 -5.557 7.977 4.822 99 HA ALA 13 HA ALA 13 -6.470 8.729 2.058 100 1HB ALA 13 1HB ALA 13 -6.665 10.302 4.656 101 2HB ALA 13 2HB ALA 13 -7.998 9.480 3.854 102 3HB ALA 13 3HB ALA 13 -7.224 10.854 3.082 103 H ASP 14 H ASP 14 -3.807 7.978 2.990 104 HA ASP 14 HA ASP 14 -2.337 10.467 2.221 105 1HB ASP 14 1HB ASP 14 -2.099 9.713 4.771 106 2HB ASP 14 2HB ASP 14 -1.218 8.371 4.108 107 H SER 15 H SER 15 -0.376 9.999 1.119 108 HA SER 15 HA SER 15 -0.505 7.443 -0.426 109 1HB SER 15 2HB SER 15 -0.657 9.535 -1.763 110 2HB SER 15 1HB SER 15 0.836 10.148 -1.055 111 HG SER 15 HG SER 15 0.546 8.456 -3.090 112 H SER 16 H SER 16 1.896 9.691 0.962 113 HA SER 16 HA SER 16 4.162 8.109 0.900 114 1HB SER 16 2HB SER 16 4.194 10.413 1.813 115 2HB SER 16 1HB SER 16 3.249 9.899 3.214 116 HG SER 16 HG SER 16 5.351 8.254 2.838 117 H ASN 17 H ASN 17 1.787 8.134 3.493 118 HA ASN 17 HA ASN 17 2.882 6.039 5.060 119 1HB ASN 17 1HB ASN 17 0.002 6.981 4.948 120 2HB ASN 17 2HB ASN 17 0.781 6.182 6.296 121 1HD2 ASN 17 1HD2 ASN 17 3.146 8.317 5.099 122 2HD2 ASN 17 2HD2 ASN 17 2.778 9.632 6.098 123 H LEU 18 H LEU 18 0.966 5.800 2.190 124 HA LEU 18 HA LEU 18 0.129 3.027 2.834 125 1HB LEU 18 1HB LEU 18 -1.522 4.492 1.707 126 2HB LEU 18 2HB LEU 18 -0.412 4.756 0.370 127 HG LEU 18 HG LEU 18 -0.503 2.320 -0.210 128 1HD1 LEU 18 1HD1 LEU 18 -2.565 2.121 2.031 129 2HD1 LEU 18 2HD1 LEU 18 -0.971 1.388 2.088 130 3HD1 LEU 18 3HD1 LEU 18 -2.146 0.840 0.911 131 1HD2 LEU 18 1HD2 LEU 18 -3.239 3.565 0.141 132 2HD2 LEU 18 2HD2 LEU 18 -2.843 2.290 -1.001 133 3HD2 LEU 18 3HD2 LEU 18 -2.138 3.885 -1.198 134 H LYS 19 H LYS 19 2.233 4.841 0.641 135 HA LYS 19 HA LYS 19 3.143 2.541 -0.822 136 1HB LYS 19 1HB LYS 19 4.721 5.108 -0.136 137 2HB LYS 19 2HB LYS 19 5.110 4.026 -1.460 138 1HG LYS 19 2HG LYS 19 2.484 5.545 -1.247 139 2HG LYS 19 1HG LYS 19 3.871 6.151 -2.107 140 1HD LYS 19 2HD LYS 19 3.778 4.272 -3.673 141 2HD LYS 19 1HD LYS 19 2.534 3.469 -2.724 142 1HE LYS 19 2HE LYS 19 1.545 4.692 -4.656 143 2HE LYS 19 1HE LYS 19 0.975 5.366 -3.144 144 1HZ LYS 19 1HZ LYS 19 2.244 6.697 -5.194 145 2HZ LYS 19 2HZ LYS 19 3.381 6.620 -3.932 146 3HZ LYS 19 3HZ LYS 19 1.854 7.280 -3.635 147 H THR 20 H THR 20 4.481 4.245 2.010 148 HA THR 20 HA THR 20 6.599 2.428 2.474 149 HB THR 20 HB THR 20 4.910 3.921 4.612 150 HG1 THR 20 HG1 THR 20 6.316 4.802 2.533 151 1HG2 THR 20 1HG2 THR 20 6.744 2.318 5.465 152 2HG2 THR 20 2HG2 THR 20 7.077 4.001 5.838 153 3HG2 THR 20 3HG2 THR 20 7.906 3.219 4.503 154 H HIS 21 H HIS 21 3.236 2.426 3.565 155 HA HIS 21 HA HIS 21 3.203 0.149 5.172 156 1HB HIS 21 1HB HIS 21 1.174 1.520 4.845 157 2HB HIS 21 2HB HIS 21 1.073 1.092 3.161 158 HD1 HIS 21 HD1 HIS 21 0.562 -0.457 6.496 159 HD2 HIS 21 HD2 HIS 21 -0.012 -1.353 2.556 160 HE1 HIS 21 HE1 HIS 21 -0.795 -2.524 6.447 161 H ILE 22 H ILE 22 2.510 0.129 1.617 162 HA ILE 22 HA ILE 22 2.539 -2.621 1.231 163 HB ILE 22 HB ILE 22 3.565 -0.447 -0.660 164 1HG1 ILE 22 2HG1 ILE 22 0.861 -1.871 -0.484 165 2HG1 ILE 22 1HG1 ILE 22 1.153 -0.255 0.111 166 1HG2 ILE 22 1HG2 ILE 22 2.814 -3.351 -1.246 167 2HG2 ILE 22 2HG2 ILE 22 4.428 -2.683 -1.357 168 3HG2 ILE 22 3HG2 ILE 22 3.195 -2.155 -2.473 169 1HD1 ILE 22 1HD ILE 22 1.396 -1.110 -2.809 170 2HD1 ILE 22 2HD ILE 22 1.740 0.500 -2.200 171 3HD1 ILE 22 3HD ILE 22 0.113 -0.149 -2.113 172 H LYS 23 H LYS 23 5.432 -0.526 1.091 173 HA LYS 23 HA LYS 23 7.254 -2.577 0.440 174 1HB LYS 23 1HB LYS 23 7.503 0.174 1.591 175 2HB LYS 23 2HB LYS 23 8.904 -0.867 1.701 176 1HG LYS 23 2HG LYS 23 8.949 0.456 -0.397 177 2HG LYS 23 1HG LYS 23 8.879 -1.263 -0.724 178 1HD LYS 23 2HD LYS 23 6.379 -1.059 -1.075 179 2HD LYS 23 1HD LYS 23 6.524 0.672 -0.834 180 1HE LYS 23 2HE LYS 23 7.945 0.859 -2.818 181 2HE LYS 23 1HE LYS 23 7.975 -0.893 -3.002 182 1HZ LYS 23 1HZ LYS 23 6.077 0.909 -3.954 183 2HZ LYS 23 2HZ LYS 23 5.315 -0.082 -2.806 184 3HZ LYS 23 3HZ LYS 23 6.116 -0.780 -4.128 185 H THR 24 H THR 24 6.658 -1.251 3.638 186 HA THR 24 HA THR 24 8.374 -3.102 5.012 187 HB THR 24 HB THR 24 6.274 -1.144 6.063 188 HG1 THR 24 HG1 THR 24 8.595 -0.851 4.826 189 1HG2 THR 24 1HG2 THR 24 7.044 -2.850 7.801 190 2HG2 THR 24 2HG2 THR 24 7.611 -1.227 8.150 191 3HG2 THR 24 3HG2 THR 24 8.712 -2.410 7.453 192 H LYS 25 H LYS 25 4.910 -3.066 4.471 193 HA LYS 25 HA LYS 25 4.468 -5.349 6.254 194 1HB LYS 25 1HB LYS 25 2.524 -3.676 4.622 195 2HB LYS 25 2HB LYS 25 2.036 -4.871 5.800 196 1HG LYS 25 2HG LYS 25 3.634 -2.332 6.364 197 2HG LYS 25 1HG LYS 25 1.944 -2.563 6.712 198 1HD LYS 25 2HD LYS 25 4.183 -4.177 8.011 199 2HD LYS 25 1HD LYS 25 3.414 -2.776 8.710 200 1HE LYS 25 2HE LYS 25 2.340 -4.709 9.681 201 2HE LYS 25 1HE LYS 25 1.182 -3.992 8.576 202 1HZ LYS 25 1HZ LYS 25 2.142 -6.590 8.598 203 2HZ LYS 25 2HZ LYS 25 2.739 -5.873 7.182 204 3HZ LYS 25 3HZ LYS 25 1.068 -5.871 7.497 205 H HIS 26 H HIS 26 4.496 -4.773 2.764 206 HA HIS 26 HA HIS 26 3.757 -7.653 2.425 207 1HB HIS 26 1HB HIS 26 3.099 -5.339 0.579 208 2HB HIS 26 2HB HIS 26 2.635 -7.011 0.342 209 HD1 HIS 26 HD1 HIS 26 1.417 -7.870 2.813 210 HD2 HIS 26 HD2 HIS 26 1.025 -3.950 1.711 211 HE1 HIS 26 HE1 HIS 26 -0.543 -6.997 4.036 212 H SER 27 H SER 27 4.982 -5.330 0.211 213 HA SER 27 HA SER 27 6.342 -6.727 -1.621 214 1HB SER 27 2HB SER 27 6.185 -4.186 -1.445 215 2HB SER 27 1HB SER 27 7.620 -4.283 -0.400 216 HG SER 27 HG SER 27 8.724 -4.501 -2.132 217 H LYS 28 H LYS 28 8.022 -5.657 1.227 218 HA LYS 28 HA LYS 28 10.044 -6.271 2.203 219 1HB LYS 28 1HB LYS 28 8.887 -8.992 1.421 220 2HB LYS 28 2HB LYS 28 10.229 -8.784 2.530 221 1HG LYS 28 2HG LYS 28 8.835 -7.501 4.089 222 2HG LYS 28 1HG LYS 28 7.509 -7.456 2.950 223 1HD LYS 28 2HD LYS 28 7.058 -9.159 4.639 224 2HD LYS 28 1HD LYS 28 7.305 -9.940 3.091 225 1HE LYS 28 2HE LYS 28 9.680 -10.452 3.761 226 2HE LYS 28 1HE LYS 28 9.376 -9.694 5.317 227 1HZ LYS 28 1HZ LYS 28 7.342 -11.544 4.831 228 2HZ LYS 28 2HZ LYS 28 8.544 -11.580 6.029 229 3HZ LYS 28 3HZ LYS 28 8.828 -12.306 4.522 230 H GLU 29 H GLU 29 10.777 -5.220 0.105 231 HA GLU 29 HA GLU 29 12.677 -7.027 -1.349 232 1HB GLU 29 1HB GLU 29 12.522 -5.444 -3.254 233 2HB GLU 29 2HB GLU 29 10.947 -6.107 -2.863 234 1HG GLU 29 2HG GLU 29 10.358 -4.006 -1.636 235 2HG GLU 29 1HG GLU 29 11.947 -3.363 -1.999 236 H LYS 30 H LYS 30 12.104 -3.875 -0.032 237 HA LYS 30 HA LYS 30 13.606 -2.777 1.539 238 1HB LYS 30 1HB LYS 30 15.545 -4.360 1.064 239 2HB LYS 30 2HB LYS 30 15.849 -3.486 -0.434 240 1HG LYS 30 2HG LYS 30 16.231 -1.398 0.857 241 2HG LYS 30 1HG LYS 30 15.881 -2.228 2.356 242 1HD LYS 30 2HD LYS 30 18.235 -2.733 0.478 243 2HD LYS 30 1HD LYS 30 18.298 -2.036 2.085 244 1HE LYS 30 2HE LYS 30 17.571 -4.935 1.426 245 2HE LYS 30 1HE LYS 30 19.007 -4.359 2.250 246 1HZ LYS 30 1HZ LYS 30 16.515 -4.979 3.345 247 2HZ LYS 30 2HZ LYS 30 16.826 -3.335 3.623 248 3HZ LYS 30 3HZ LYS 30 17.945 -4.502 4.136 Start of MODEL 7 1 1H LYS 1 1H LYS 1 -10.733 9.396 -2.396 2 2H LYS 1 2H LYS 1 -11.418 10.845 -2.951 3 3H LYS 1 3H LYS 1 -12.418 9.597 -2.381 4 HA LYS 1 HA LYS 1 -11.271 11.712 -0.989 5 1HB LYS 1 2HB LYS 1 -13.564 10.780 -0.682 6 2HB LYS 1 1HB LYS 1 -12.896 9.276 -0.106 7 1HG LYS 1 2HG LYS 1 -13.694 10.477 1.814 8 2HG LYS 1 1HG LYS 1 -11.954 10.497 1.897 9 1HD LYS 1 2HD LYS 1 -13.443 12.808 0.616 10 2HD LYS 1 1HD LYS 1 -13.368 12.709 2.357 11 1HE LYS 1 2HE LYS 1 -10.962 12.946 0.465 12 2HE LYS 1 1HE LYS 1 -11.576 14.149 1.562 13 1HZ LYS 1 1HZ LYS 1 -9.778 12.072 2.065 14 2HZ LYS 1 2HZ LYS 1 -11.128 11.872 3.072 15 3HZ LYS 1 3HZ LYS 1 -10.263 13.335 3.092 16 H THR 2 H THR 2 -10.981 8.240 -0.552 17 HA THR 2 HA THR 2 -8.366 8.566 0.863 18 HB THR 2 HB THR 2 -10.595 6.530 1.448 19 HG1 THR 2 HG1 THR 2 -9.980 9.092 2.234 20 1HG2 THR 2 1HG2 THR 2 -8.126 7.192 3.118 21 2HG2 THR 2 2HG2 THR 2 -8.301 5.699 2.206 22 3HG2 THR 2 3HG2 THR 2 -9.385 6.055 3.532 23 H TYR 3 H TYR 3 -7.197 6.459 0.833 24 HA TYR 3 HA TYR 3 -7.381 5.060 -1.808 25 1HB TYR 3 1HB TYR 3 -4.824 5.680 -0.246 26 2HB TYR 3 2HB TYR 3 -4.911 4.950 -1.842 27 HD1 TYR 3 HD1 TYR 3 -6.647 6.626 -3.410 28 HD2 TYR 3 HD2 TYR 3 -3.907 7.791 -0.362 29 HE1 TYR 3 HE1 TYR 3 -6.477 8.856 -4.407 30 HE2 TYR 3 HE2 TYR 3 -3.731 10.014 -1.361 31 HH TYR 3 HH TYR 3 -4.584 11.429 -2.889 32 H GLN 4 H GLN 4 -6.790 2.798 -1.702 33 HA GLN 4 HA GLN 4 -6.703 1.716 1.099 34 1HB GLN 4 1HB GLN 4 -8.879 1.461 -0.449 35 2HB GLN 4 2HB GLN 4 -7.958 0.151 -1.152 36 1HG GLN 4 2HG GLN 4 -7.660 -0.628 1.429 37 2HG GLN 4 1HG GLN 4 -9.002 0.461 1.656 38 1HE2 GLN 4 2HE2 GLN 4 -7.992 -2.502 -0.013 39 2HE2 GLN 4 1HE2 GLN 4 -9.557 -3.057 -0.268 40 H CYS 5 H CYS 5 -6.098 -0.687 0.972 41 HA CYS 5 HA CYS 5 -3.546 -0.921 -0.582 42 1HB CYS 5 1HB CYS 5 -3.257 -1.099 1.859 43 2HB CYS 5 2HB CYS 5 -4.534 -2.316 1.939 44 H GLN 6 H GLN 6 -3.171 -2.965 -1.645 45 HA GLN 6 HA GLN 6 -5.694 -4.502 -2.194 46 1HB GLN 6 1HB GLN 6 -3.366 -4.036 -4.083 47 2HB GLN 6 2HB GLN 6 -4.900 -4.783 -4.487 48 1HG GLN 6 2HG GLN 6 -4.403 -1.856 -3.754 49 2HG GLN 6 1HG GLN 6 -4.943 -2.484 -5.297 50 1HE2 GLN 6 1HE2 GLN 6 -6.071 -0.887 -2.653 51 2HE2 GLN 6 2HE2 GLN 6 -7.699 -1.359 -2.703 52 H TYR 7 H TYR 7 -3.886 -5.035 -0.140 53 HA TYR 7 HA TYR 7 -2.948 -7.780 -0.870 54 1HB TYR 7 1HB TYR 7 -1.585 -5.771 0.968 55 2HB TYR 7 2HB TYR 7 -1.072 -7.445 0.774 56 HD1 TYR 7 HD1 TYR 7 -0.452 -8.166 -1.682 57 HD2 TYR 7 HD2 TYR 7 -0.616 -4.111 -0.380 58 HE1 TYR 7 HE1 TYR 7 1.002 -7.504 -3.538 59 HE2 TYR 7 HE2 TYR 7 0.833 -3.458 -2.236 60 HH TYR 7 HH TYR 7 2.136 -4.164 -3.900 61 H CYS 8 H CYS 8 -3.447 -5.589 1.813 62 HA CYS 8 HA CYS 8 -5.001 -7.654 3.313 63 1HB CYS 8 1HB CYS 8 -4.110 -6.700 5.348 64 2HB CYS 8 2HB CYS 8 -2.754 -7.030 4.273 65 H GLU 9 H GLU 9 -5.719 -5.764 5.322 66 HA GLU 9 HA GLU 9 -7.809 -4.183 3.892 67 1HB GLU 9 1HB GLU 9 -8.989 -4.430 6.228 68 2HB GLU 9 2HB GLU 9 -8.915 -5.824 5.189 69 1HG GLU 9 2HG GLU 9 -8.358 -6.388 7.555 70 2HG GLU 9 1HG GLU 9 -7.063 -6.798 6.458 71 H PHE 10 H PHE 10 -5.548 -2.895 3.895 72 HA PHE 10 HA PHE 10 -5.582 -0.964 6.194 73 1HB PHE 10 1HB PHE 10 -3.357 -1.983 5.790 74 2HB PHE 10 2HB PHE 10 -3.398 -1.482 4.108 75 HD1 PHE 10 HD1 PHE 10 -3.205 -0.225 7.609 76 HD2 PHE 10 HD2 PHE 10 -2.937 0.803 3.489 77 HE1 PHE 10 HE1 PHE 10 -2.284 1.969 8.215 78 HE2 PHE 10 HE2 PHE 10 -2.016 3.024 4.114 79 HZ PHE 10 HZ PHE 10 -1.696 3.596 6.445 80 H ARG 11 H ARG 11 -6.588 0.853 5.835 81 HA ARG 11 HA ARG 11 -6.659 1.998 3.075 82 1HB ARG 11 1HB ARG 11 -8.975 2.730 3.500 83 2HB ARG 11 2HB ARG 11 -8.863 1.017 3.810 84 1HG ARG 11 2HG ARG 11 -10.014 1.575 5.708 85 2HG ARG 11 1HG ARG 11 -8.403 1.841 6.331 86 1HD ARG 11 2HD ARG 11 -8.621 4.315 5.763 87 2HD ARG 11 1HD ARG 11 -10.248 3.982 5.200 88 HE ARG 11 HE ARG 11 -10.775 3.203 7.521 89 1HH1 ARG 11 2HH1 ARG 11 -7.554 4.103 7.609 90 2HH1 ARG 11 1HH1 ARG 11 -7.724 5.196 8.941 91 1HH2 ARG 11 2HH2 ARG 11 -11.213 5.081 8.885 92 2HH2 ARG 11 1HH2 ARG 11 -9.831 5.775 9.670 93 H SER 12 H SER 12 -6.042 4.054 2.965 94 HA SER 12 HA SER 12 -5.907 5.870 5.276 95 1HB SER 12 2HB SER 12 -3.481 4.727 3.835 96 2HB SER 12 1HB SER 12 -3.292 6.161 4.776 97 HG SER 12 HG SER 12 -3.506 5.039 6.534 98 H ALA 13 H ALA 13 -5.535 8.108 4.547 99 HA ALA 13 HA ALA 13 -6.281 8.416 1.655 100 1HB ALA 13 1HB ALA 13 -7.147 10.643 2.344 101 2HB ALA 13 2HB ALA 13 -6.581 10.355 3.984 102 3HB ALA 13 3HB ALA 13 -7.867 9.371 3.313 103 H ASP 14 H ASP 14 -3.616 7.893 2.546 104 HA ASP 14 HA ASP 14 -2.308 10.310 1.401 105 1HB ASP 14 1HB ASP 14 -2.093 9.828 4.104 106 2HB ASP 14 2HB ASP 14 -0.857 8.733 3.529 107 H SER 15 H SER 15 -0.195 9.802 0.500 108 HA SER 15 HA SER 15 0.096 6.974 -0.453 109 1HB SER 15 2HB SER 15 -0.770 8.466 -2.280 110 2HB SER 15 1HB SER 15 0.532 9.625 -1.995 111 HG SER 15 HG SER 15 1.764 8.372 -3.139 112 H SER 16 H SER 16 1.000 7.203 1.557 113 HA SER 16 HA SER 16 3.321 6.508 2.292 114 1HB SER 16 2HB SER 16 4.564 8.247 0.974 115 2HB SER 16 1HB SER 16 3.771 9.555 1.858 116 HG SER 16 HG SER 16 5.877 8.082 2.555 117 H ASN 17 H ASN 17 1.523 7.667 5.173 118 HA ASN 17 HA ASN 17 3.529 5.807 4.130 119 1HB ASN 17 1HB ASN 17 3.251 4.701 6.338 120 2HB ASN 17 2HB ASN 17 3.656 6.404 6.429 121 1HD2 ASN 17 1HD2 ASN 17 2.384 7.584 7.834 122 2HD2 ASN 17 2HD2 ASN 17 0.814 7.163 8.325 123 H LEU 18 H LEU 18 1.419 5.628 2.404 124 HA LEU 18 HA LEU 18 0.012 3.052 3.045 125 1HB LEU 18 1HB LEU 18 -1.472 4.783 2.076 126 2HB LEU 18 2HB LEU 18 -0.321 5.090 0.779 127 HG LEU 18 HG LEU 18 -0.719 2.852 -0.179 128 1HD1 LEU 18 1HD1 LEU 18 -1.182 1.578 1.956 129 2HD1 LEU 18 2HD1 LEU 18 -2.442 1.324 0.764 130 3HD1 LEU 18 3HD1 LEU 18 -2.714 2.432 2.094 131 1HD2 LEU 18 1HD2 LEU 18 -2.242 4.687 -0.833 132 2HD2 LEU 18 2HD2 LEU 18 -3.317 4.286 0.492 133 3HD2 LEU 18 3HD2 LEU 18 -3.095 3.152 -0.832 134 H LYS 19 H LYS 19 2.298 4.749 1.042 135 HA LYS 19 HA LYS 19 3.007 2.455 -0.639 136 1HB LYS 19 1HB LYS 19 4.545 5.069 -0.044 137 2HB LYS 19 2HB LYS 19 4.895 4.004 -1.380 138 1HG LYS 19 2HG LYS 19 2.303 5.592 -0.992 139 2HG LYS 19 1HG LYS 19 3.610 6.068 -2.048 140 1HD LYS 19 2HD LYS 19 1.932 3.533 -2.346 141 2HD LYS 19 1HD LYS 19 1.774 4.992 -3.300 142 1HE LYS 19 2HE LYS 19 4.075 4.728 -4.173 143 2HE LYS 19 1HE LYS 19 4.294 3.265 -3.221 144 1HZ LYS 19 1HZ LYS 19 3.360 2.115 -4.799 145 2HZ LYS 19 2HZ LYS 19 3.175 3.518 -5.737 146 3HZ LYS 19 3HZ LYS 19 1.931 3.028 -4.689 147 H THR 20 H THR 20 4.367 4.248 2.089 148 HA THR 20 HA THR 20 6.590 2.560 2.581 149 HB THR 20 HB THR 20 4.828 4.025 4.677 150 HG1 THR 20 HG1 THR 20 6.516 4.802 2.685 151 1HG2 THR 20 1HG2 THR 20 6.936 4.110 5.993 152 2HG2 THR 20 2HG2 THR 20 7.819 3.315 4.695 153 3HG2 THR 20 3HG2 THR 20 6.620 2.421 5.619 154 H HIS 21 H HIS 21 3.277 2.408 3.715 155 HA HIS 21 HA HIS 21 3.302 0.131 5.314 156 1HB HIS 21 1HB HIS 21 1.231 1.358 5.080 157 2HB HIS 21 2HB HIS 21 1.198 1.198 3.342 158 HD1 HIS 21 HD1 HIS 21 0.657 -0.857 6.398 159 HD2 HIS 21 HD2 HIS 21 0.018 -1.081 2.373 160 HE1 HIS 21 HE1 HIS 21 -0.721 -2.874 6.038 161 H ILE 22 H ILE 22 2.515 0.004 1.765 162 HA ILE 22 HA ILE 22 2.756 -2.743 1.439 163 HB ILE 22 HB ILE 22 3.555 -0.555 -0.550 164 1HG1 ILE 22 2HG1 ILE 22 0.987 -2.186 -0.289 165 2HG1 ILE 22 1HG1 ILE 22 1.159 -0.576 0.369 166 1HG2 ILE 22 1HG2 ILE 22 3.262 -2.341 -2.291 167 2HG2 ILE 22 2HG2 ILE 22 2.958 -3.523 -1.030 168 3HG2 ILE 22 3HG2 ILE 22 4.540 -2.782 -1.193 169 1HD1 ILE 22 1HD ILE 22 0.074 -0.484 -1.839 170 2HD1 ILE 22 2HD ILE 22 1.451 -1.269 -2.586 171 3HD1 ILE 22 3HD ILE 22 1.626 0.331 -1.883 172 H LYS 23 H LYS 23 5.525 -0.468 1.301 173 HA LYS 23 HA LYS 23 7.436 -2.405 0.545 174 1HB LYS 23 1HB LYS 23 7.827 0.129 2.197 175 2HB LYS 23 2HB LYS 23 9.152 -0.806 1.527 176 1HG LYS 23 2HG LYS 23 8.081 -0.482 -0.778 177 2HG LYS 23 1HG LYS 23 6.968 0.634 -0.015 178 1HD LYS 23 2HD LYS 23 10.000 0.955 -0.024 179 2HD LYS 23 1HD LYS 23 8.896 1.812 -1.074 180 1HE LYS 23 2HE LYS 23 7.798 2.837 0.916 181 2HE LYS 23 1HE LYS 23 8.972 2.038 1.964 182 1HZ LYS 23 1HZ LYS 23 10.366 3.664 1.590 183 2HZ LYS 23 2HZ LYS 23 9.236 4.435 0.587 184 3HZ LYS 23 3HZ LYS 23 10.350 3.341 -0.079 185 H THR 24 H THR 24 6.590 -1.447 3.863 186 HA THR 24 HA THR 24 8.434 -3.596 4.828 187 HB THR 24 HB THR 24 8.707 -1.323 5.690 188 HG1 THR 24 HG1 THR 24 8.388 -3.595 7.062 189 1HG2 THR 24 1HG2 THR 24 6.262 -0.606 5.826 190 2HG2 THR 24 2HG2 THR 24 7.150 -0.372 7.319 191 3HG2 THR 24 3HG2 THR 24 6.077 -1.738 7.155 192 H LYS 25 H LYS 25 5.298 -3.471 4.027 193 HA LYS 25 HA LYS 25 4.441 -5.452 6.110 194 1HB LYS 25 1HB LYS 25 2.765 -3.494 4.486 195 2HB LYS 25 2HB LYS 25 2.060 -4.942 5.167 196 1HG LYS 25 2HG LYS 25 1.710 -3.034 6.648 197 2HG LYS 25 1HG LYS 25 2.608 -4.326 7.400 198 1HD LYS 25 2HD LYS 25 4.651 -3.172 7.275 199 2HD LYS 25 1HD LYS 25 4.038 -1.952 6.172 200 1HE LYS 25 2HE LYS 25 3.071 -2.363 9.045 201 2HE LYS 25 1HE LYS 25 4.213 -1.125 8.535 202 1HZ LYS 25 1HZ LYS 25 2.521 0.155 8.025 203 2HZ LYS 25 2HZ LYS 25 1.415 -1.069 8.434 204 3HZ LYS 25 3HZ LYS 25 2.020 -0.961 6.852 205 H HIS 26 H HIS 26 4.587 -4.948 2.584 206 HA HIS 26 HA HIS 26 3.766 -7.800 2.294 207 1HB HIS 26 1HB HIS 26 3.161 -5.534 0.384 208 2HB HIS 26 2HB HIS 26 2.652 -7.204 0.205 209 HD1 HIS 26 HD1 HIS 26 1.390 -7.930 2.698 210 HD2 HIS 26 HD2 HIS 26 1.067 -4.064 1.409 211 HE1 HIS 26 HE1 HIS 26 -0.583 -6.978 3.836 212 H SER 27 H SER 27 5.505 -5.360 0.544 213 HA SER 27 HA SER 27 7.237 -7.499 -0.668 214 1HB SER 27 2HB SER 27 5.655 -6.199 -2.236 215 2HB SER 27 1HB SER 27 6.609 -4.755 -1.898 216 HG SER 27 HG SER 27 8.004 -5.486 -3.262 217 H LYS 28 H LYS 28 8.909 -5.360 -1.735 218 HA LYS 28 HA LYS 28 11.209 -5.065 -1.021 219 1HB LYS 28 1HB LYS 28 9.956 -3.131 -1.997 220 2HB LYS 28 2HB LYS 28 9.536 -2.606 -0.389 221 1HG LYS 28 2HG LYS 28 11.324 -1.214 -1.071 222 2HG LYS 28 1HG LYS 28 12.056 -2.305 0.072 223 1HD LYS 28 2HD LYS 28 12.138 -2.956 -2.894 224 2HD LYS 28 1HD LYS 28 13.240 -1.771 -2.239 225 1HE LYS 28 2HE LYS 28 13.091 -4.678 -1.279 226 2HE LYS 28 1HE LYS 28 14.268 -4.018 -2.381 227 1HZ LYS 28 1HZ LYS 28 15.458 -3.401 -0.682 228 2HZ LYS 28 2HZ LYS 28 14.281 -3.961 0.402 229 3HZ LYS 28 3HZ LYS 28 14.227 -2.358 -0.158 230 H GLU 29 H GLU 29 11.019 -6.540 0.861 231 HA GLU 29 HA GLU 29 12.317 -6.898 2.848 232 1HB GLU 29 1HB GLU 29 12.665 -4.297 3.128 233 2HB GLU 29 2HB GLU 29 11.153 -4.289 4.015 234 1HG GLU 29 2HG GLU 29 13.649 -5.892 4.728 235 2HG GLU 29 1HG GLU 29 13.099 -4.447 5.551 236 H LYS 30 H LYS 30 11.242 -8.506 3.751 237 HA LYS 30 HA LYS 30 8.409 -8.105 4.651 238 1HB LYS 30 1HB LYS 30 8.734 -9.693 2.747 239 2HB LYS 30 2HB LYS 30 9.794 -10.670 3.743 240 1HG LYS 30 2HG LYS 30 7.889 -10.978 5.387 241 2HG LYS 30 1HG LYS 30 6.847 -10.079 4.306 242 1HD LYS 30 2HD LYS 30 8.283 -12.687 3.601 243 2HD LYS 30 1HD LYS 30 6.606 -12.565 4.089 244 1HE LYS 30 2HE LYS 30 7.722 -11.219 1.593 245 2HE LYS 30 1HE LYS 30 6.838 -12.732 1.607 246 1HZ LYS 30 1HZ LYS 30 5.805 -10.155 1.589 247 2HZ LYS 30 2HZ LYS 30 5.368 -10.861 3.062 248 3HZ LYS 30 3HZ LYS 30 4.970 -11.622 1.600 Start of MODEL 8 1 1H LYS 1 1H LYS 1 -10.968 12.153 -0.585 2 2H LYS 1 2H LYS 1 -10.580 11.451 0.906 3 3H LYS 1 3H LYS 1 -12.200 11.547 0.415 4 HA LYS 1 HA LYS 1 -12.070 9.583 -0.527 5 1HB LYS 1 2HB LYS 1 -10.985 9.394 -2.633 6 2HB LYS 1 1HB LYS 1 -11.127 11.128 -2.475 7 1HG LYS 1 2HG LYS 1 -8.625 9.453 -1.965 8 2HG LYS 1 1HG LYS 1 -8.891 10.584 -3.266 9 1HD LYS 1 2HD LYS 1 -8.755 12.491 -1.852 10 2HD LYS 1 1HD LYS 1 -8.916 11.564 -0.377 11 1HE LYS 1 2HE LYS 1 -6.740 10.412 -0.924 12 2HE LYS 1 1HE LYS 1 -6.568 11.535 -2.273 13 1HZ LYS 1 1HZ LYS 1 -5.746 13.005 -0.888 14 2HZ LYS 1 2HZ LYS 1 -5.949 11.950 0.428 15 3HZ LYS 1 3HZ LYS 1 -7.197 13.012 -0.006 16 H THR 2 H THR 2 -10.604 7.630 -0.877 17 HA THR 2 HA THR 2 -8.357 7.584 1.090 18 HB THR 2 HB THR 2 -10.240 6.590 2.249 19 HG1 THR 2 HG1 THR 2 -8.113 5.465 2.065 20 1HG2 THR 2 1HG2 THR 2 -11.630 5.929 0.172 21 2HG2 THR 2 2HG2 THR 2 -11.468 4.615 1.318 22 3HG2 THR 2 3HG2 THR 2 -10.468 4.643 -0.127 23 H TYR 3 H TYR 3 -7.114 5.769 0.961 24 HA TYR 3 HA TYR 3 -6.602 4.636 -1.756 25 1HB TYR 3 1HB TYR 3 -4.545 5.439 0.393 26 2HB TYR 3 2HB TYR 3 -4.181 4.761 -1.188 27 HD1 TYR 3 HD1 TYR 3 -5.439 6.159 -3.187 28 HD2 TYR 3 HD2 TYR 3 -4.135 7.738 0.544 29 HE1 TYR 3 HE1 TYR 3 -5.299 8.387 -4.178 30 HE2 TYR 3 HE2 TYR 3 -4.004 9.970 -0.456 31 HH TYR 3 HH TYR 3 -4.178 11.179 -2.303 32 H GLN 4 H GLN 4 -6.862 2.471 -1.581 33 HA GLN 4 HA GLN 4 -6.759 1.248 1.156 34 1HB GLN 4 1HB GLN 4 -8.802 1.178 -0.744 35 2HB GLN 4 2HB GLN 4 -7.963 -0.316 -1.079 36 1HG GLN 4 2HG GLN 4 -9.108 0.527 1.610 37 2HG GLN 4 1HG GLN 4 -9.762 -0.698 0.548 38 1HE2 GLN 4 1HE2 GLN 4 -8.126 -0.451 3.350 39 2HE2 GLN 4 2HE2 GLN 4 -7.192 -1.863 3.279 40 H CYS 5 H CYS 5 -5.610 -0.644 1.415 41 HA CYS 5 HA CYS 5 -3.215 -0.905 -0.150 42 1HB CYS 5 1HB CYS 5 -3.401 -1.420 2.272 43 2HB CYS 5 2HB CYS 5 -4.468 -2.776 1.898 44 H GLN 6 H GLN 6 -2.586 -2.738 -1.428 45 HA GLN 6 HA GLN 6 -4.900 -4.052 -2.823 46 1HB GLN 6 1HB GLN 6 -2.033 -3.671 -3.805 47 2HB GLN 6 2HB GLN 6 -3.382 -4.251 -4.754 48 1HG GLN 6 2HG GLN 6 -3.225 -1.444 -3.561 49 2HG GLN 6 1HG GLN 6 -2.829 -1.847 -5.217 50 1HE2 GLN 6 2HE2 GLN 6 -4.507 -1.702 -6.681 51 2HE2 GLN 6 1HE2 GLN 6 -6.153 -1.676 -6.278 52 H TYR 7 H TYR 7 -3.564 -4.817 -0.309 53 HA TYR 7 HA TYR 7 -2.926 -7.643 -1.015 54 1HB TYR 7 1HB TYR 7 -1.405 -5.982 1.034 55 2HB TYR 7 2HB TYR 7 -1.043 -7.638 0.568 56 HD1 TYR 7 HD1 TYR 7 -0.502 -8.026 -1.985 57 HD2 TYR 7 HD2 TYR 7 -0.391 -4.206 -0.112 58 HE1 TYR 7 HE1 TYR 7 0.893 -7.168 -3.806 59 HE2 TYR 7 HE2 TYR 7 0.993 -3.354 -1.930 60 HH TYR 7 HH TYR 7 1.896 -5.375 -4.689 61 H CYS 8 H CYS 8 -3.315 -5.489 1.748 62 HA CYS 8 HA CYS 8 -5.174 -7.459 3.033 63 1HB CYS 8 1HB CYS 8 -4.390 -6.746 5.162 64 2HB CYS 8 2HB CYS 8 -2.943 -6.976 4.187 65 H GLU 9 H GLU 9 -6.041 -5.781 5.028 66 HA GLU 9 HA GLU 9 -7.776 -3.866 3.521 67 1HB GLU 9 1HB GLU 9 -8.305 -5.408 6.105 68 2HB GLU 9 2HB GLU 9 -9.393 -4.229 5.411 69 1HG GLU 9 2HG GLU 9 -10.084 -6.528 4.823 70 2HG GLU 9 1HG GLU 9 -9.727 -5.587 3.394 71 H PHE 10 H PHE 10 -5.550 -2.761 3.964 72 HA PHE 10 HA PHE 10 -5.717 -1.101 6.456 73 1HB PHE 10 1HB PHE 10 -3.488 -2.134 6.242 74 2HB PHE 10 2HB PHE 10 -3.378 -1.685 4.547 75 HD1 PHE 10 HD1 PHE 10 -3.753 -0.148 7.969 76 HD2 PHE 10 HD2 PHE 10 -2.378 0.371 3.975 77 HE1 PHE 10 HE1 PHE 10 -2.789 2.025 8.580 78 HE2 PHE 10 HE2 PHE 10 -1.435 2.604 4.618 79 HZ PHE 10 HZ PHE 10 -1.627 3.389 6.863 80 H ARG 11 H ARG 11 -6.627 0.814 6.087 81 HA ARG 11 HA ARG 11 -6.483 2.001 3.336 82 1HB ARG 11 1HB ARG 11 -8.676 2.973 3.770 83 2HB ARG 11 2HB ARG 11 -8.737 1.231 3.902 84 1HG ARG 11 2HG ARG 11 -8.479 1.568 6.466 85 2HG ARG 11 1HG ARG 11 -8.801 3.269 6.166 86 1HD ARG 11 2HD ARG 11 -10.613 0.915 5.492 87 2HD ARG 11 1HD ARG 11 -10.943 2.212 6.635 88 HE ARG 11 HE ARG 11 -11.112 3.768 4.709 89 1HH1 ARG 11 2HH2 ARG 11 -12.859 1.143 4.506 90 2HH1 ARG 11 1HH2 ARG 11 -12.796 0.888 2.795 91 1HH2 ARG 11 1HH1 ARG 11 -10.207 3.191 2.323 92 2HH2 ARG 11 2HH1 ARG 11 -11.234 2.042 1.549 93 H SER 12 H SER 12 -5.839 3.954 3.145 94 HA SER 12 HA SER 12 -5.335 5.712 5.511 95 1HB SER 12 2HB SER 12 -3.298 5.137 3.269 96 2HB SER 12 1HB SER 12 -2.878 5.841 4.774 97 HG SER 12 HG SER 12 -3.363 3.270 4.245 98 H ALA 13 H ALA 13 -4.742 8.033 4.547 99 HA ALA 13 HA ALA 13 -6.282 8.521 2.022 100 1HB ALA 13 1HB ALA 13 -7.435 10.434 3.125 101 2HB ALA 13 2HB ALA 13 -6.638 10.038 4.642 102 3HB ALA 13 3HB ALA 13 -7.803 8.926 3.950 103 H ASP 14 H ASP 14 -3.446 8.483 2.786 104 HA ASP 14 HA ASP 14 -2.676 11.303 2.164 105 1HB ASP 14 1HB ASP 14 -1.793 10.547 4.318 106 2HB ASP 14 2HB ASP 14 -1.209 9.074 3.583 107 H SER 15 H SER 15 -1.391 8.091 1.762 108 HA SER 15 HA SER 15 -1.134 7.002 -0.420 109 1HB SER 15 2HB SER 15 -1.484 9.136 -1.810 110 2HB SER 15 1HB SER 15 0.149 9.653 -1.344 111 HG SER 15 HG SER 15 0.917 8.255 -2.676 112 H SER 16 H SER 16 1.392 9.429 0.483 113 HA SER 16 HA SER 16 3.584 7.681 0.039 114 1HB SER 16 2HB SER 16 4.932 9.238 1.376 115 2HB SER 16 1HB SER 16 3.690 10.232 0.616 116 HG SER 16 HG SER 16 3.084 10.727 2.531 117 H ASN 17 H ASN 17 1.561 8.169 2.894 118 HA ASN 17 HA ASN 17 2.909 6.397 4.665 119 1HB ASN 17 1HB ASN 17 -0.079 7.033 4.486 120 2HB ASN 17 2HB ASN 17 0.677 6.218 5.848 121 1HD2 ASN 17 2HD2 ASN 17 -0.610 9.051 5.359 122 2HD2 ASN 17 1HD2 ASN 17 0.498 10.096 6.105 123 H LEU 18 H LEU 18 0.111 5.750 2.514 124 HA LEU 18 HA LEU 18 -0.090 2.994 3.030 125 1HB LEU 18 1HB LEU 18 -1.755 4.354 1.692 126 2HB LEU 18 2HB LEU 18 -0.590 4.453 0.375 127 HG LEU 18 HG LEU 18 -0.720 2.047 -0.026 128 1HD1 LEU 18 1HD1 LEU 18 -2.271 0.604 1.276 129 2HD1 LEU 18 2HD1 LEU 18 -2.649 1.947 2.340 130 3HD1 LEU 18 3HD1 LEU 18 -1.034 1.252 2.325 131 1HD2 LEU 18 1HD2 LEU 18 -3.110 1.885 -0.679 132 2HD2 LEU 18 2HD2 LEU 18 -2.482 3.486 -1.037 133 3HD2 LEU 18 3HD2 LEU 18 -3.496 3.234 0.379 134 H LYS 19 H LYS 19 1.901 4.582 0.561 135 HA LYS 19 HA LYS 19 2.954 2.186 -0.545 136 1HB LYS 19 1HB LYS 19 4.279 4.947 -0.189 137 2HB LYS 19 2HB LYS 19 4.952 3.682 -1.207 138 1HG LYS 19 2HG LYS 19 2.787 3.665 -2.521 139 2HG LYS 19 1HG LYS 19 2.239 5.025 -1.560 140 1HD LYS 19 2HD LYS 19 4.098 6.415 -2.359 141 2HD LYS 19 1HD LYS 19 4.795 5.056 -3.221 142 1HE LYS 19 2HE LYS 19 3.542 6.461 -4.806 143 2HE LYS 19 1HE LYS 19 2.702 4.926 -4.624 144 1HZ LYS 19 1HZ LYS 19 1.778 6.675 -2.657 145 2HZ LYS 19 2HZ LYS 19 0.927 6.007 -3.964 146 3HZ LYS 19 3HZ LYS 19 1.739 7.487 -4.143 147 H THR 20 H THR 20 4.293 4.164 2.106 148 HA THR 20 HA THR 20 6.472 2.486 2.751 149 HB THR 20 HB THR 20 4.642 4.122 4.658 150 HG1 THR 20 HG1 THR 20 5.407 5.332 3.007 151 1HG2 THR 20 1HG2 THR 20 6.677 4.358 6.034 152 2HG2 THR 20 2HG2 THR 20 7.645 3.477 4.860 153 3HG2 THR 20 3HG2 THR 20 6.436 2.634 5.817 154 H HIS 21 H HIS 21 3.149 2.335 3.989 155 HA HIS 21 HA HIS 21 3.301 0.113 5.643 156 1HB HIS 21 1HB HIS 21 1.188 1.251 5.464 157 2HB HIS 21 2HB HIS 21 1.095 1.046 3.736 158 HD1 HIS 21 HD1 HIS 21 0.797 -1.025 6.831 159 HD2 HIS 21 HD2 HIS 21 -0.034 -1.277 2.841 160 HE1 HIS 21 HE1 HIS 21 -0.518 -3.098 6.526 161 H ILE 22 H ILE 22 2.565 0.004 2.141 162 HA ILE 22 HA ILE 22 2.628 -2.747 1.735 163 HB ILE 22 HB ILE 22 3.554 -0.502 -0.128 164 1HG1 ILE 22 2HG1 ILE 22 0.908 -2.025 0.031 165 2HG1 ILE 22 1HG1 ILE 22 1.153 -0.458 0.762 166 1HG2 ILE 22 1HG2 ILE 22 4.462 -2.696 -0.901 167 2HG2 ILE 22 2HG2 ILE 22 3.195 -2.158 -1.979 168 3HG2 ILE 22 3HG2 ILE 22 2.865 -3.402 -0.784 169 1HD1 ILE 22 1HD ILE 22 1.637 0.523 -1.472 170 2HD1 ILE 22 2HD ILE 22 0.051 -0.220 -1.416 171 3HD1 ILE 22 3HD ILE 22 1.370 -1.043 -2.223 172 H LYS 23 H LYS 23 5.425 -0.567 1.580 173 HA LYS 23 HA LYS 23 7.339 -2.514 0.909 174 1HB LYS 23 1HB LYS 23 7.346 0.283 1.531 175 2HB LYS 23 2HB LYS 23 8.521 -0.435 2.615 176 1HG LYS 23 2HG LYS 23 9.552 -1.626 0.656 177 2HG LYS 23 1HG LYS 23 8.406 -0.830 -0.405 178 1HD LYS 23 2HD LYS 23 9.331 1.398 0.374 179 2HD LYS 23 1HD LYS 23 10.526 0.523 1.317 180 1HE LYS 23 2HE LYS 23 11.526 1.134 -0.844 181 2HE LYS 23 1HE LYS 23 11.306 -0.606 -0.812 182 1HZ LYS 23 1HZ LYS 23 10.052 -0.457 -2.594 183 2HZ LYS 23 2HZ LYS 23 10.278 1.226 -2.634 184 3HZ LYS 23 3HZ LYS 23 8.960 0.567 -1.787 185 H THR 24 H THR 24 6.205 -1.628 4.118 186 HA THR 24 HA THR 24 8.223 -3.382 5.373 187 HB THR 24 HB THR 24 7.153 -2.742 7.549 188 HG1 THR 24 HG1 THR 24 5.141 -2.132 5.800 189 1HG2 THR 24 1HG2 THR 24 7.397 -0.343 5.659 190 2HG2 THR 24 2HG2 THR 24 8.763 -1.099 6.466 191 3HG2 THR 24 3HG2 THR 24 7.514 -0.302 7.411 192 H LYS 25 H LYS 25 4.720 -3.562 4.874 193 HA LYS 25 HA LYS 25 4.650 -6.225 6.149 194 1HB LYS 25 1HB LYS 25 2.524 -4.267 5.277 195 2HB LYS 25 2HB LYS 25 2.087 -5.902 5.734 196 1HG LYS 25 2HG LYS 25 3.599 -3.895 7.475 197 2HG LYS 25 1HG LYS 25 1.891 -4.252 7.603 198 1HD LYS 25 2HD LYS 25 2.502 -6.681 8.100 199 2HD LYS 25 1HD LYS 25 4.189 -6.201 8.139 200 1HE LYS 25 2HE LYS 25 3.322 -6.230 10.419 201 2HE LYS 25 1HE LYS 25 3.689 -4.574 9.963 202 1HZ LYS 25 1HZ LYS 25 1.053 -5.138 9.212 203 2HZ LYS 25 2HZ LYS 25 1.613 -4.028 10.367 204 3HZ LYS 25 3HZ LYS 25 1.265 -5.626 10.824 205 H HIS 26 H HIS 26 4.424 -4.966 2.923 206 HA HIS 26 HA HIS 26 3.810 -7.720 1.938 207 1HB HIS 26 1HB HIS 26 2.994 -5.066 0.697 208 2HB HIS 26 2HB HIS 26 2.543 -6.658 0.119 209 HD1 HIS 26 HD1 HIS 26 1.393 -8.025 2.466 210 HD2 HIS 26 HD2 HIS 26 0.919 -3.997 2.021 211 HE1 HIS 26 HE1 HIS 26 -0.579 -7.400 3.826 212 H SER 27 H SER 27 6.178 -7.805 2.131 213 HA SER 27 HA SER 27 7.694 -6.441 -0.029 214 1HB SER 27 2HB SER 27 8.654 -8.163 2.285 215 2HB SER 27 1HB SER 27 9.698 -7.337 1.130 216 HG SER 27 HG SER 27 7.913 -5.582 1.891 217 H LYS 28 H LYS 28 5.962 -9.224 0.001 218 HA LYS 28 HA LYS 28 7.894 -10.602 -1.856 219 1HB LYS 28 1HB LYS 28 6.844 -12.721 -1.172 220 2HB LYS 28 2HB LYS 28 7.412 -11.862 0.245 221 1HG LYS 28 2HG LYS 28 5.116 -11.079 0.745 222 2HG LYS 28 1HG LYS 28 4.503 -11.902 -0.678 223 1HD LYS 28 2HD LYS 28 5.366 -14.073 0.210 224 2HD LYS 28 1HD LYS 28 5.896 -13.246 1.658 225 1HE LYS 28 2HE LYS 28 3.557 -12.589 2.161 226 2HE LYS 28 1HE LYS 28 3.013 -13.368 0.681 227 1HZ LYS 28 1HZ LYS 28 2.898 -15.261 1.752 228 2HZ LYS 28 2HZ LYS 28 3.422 -14.512 3.182 229 3HZ LYS 28 3HZ LYS 28 4.554 -15.198 2.120 230 H GLU 29 H GLU 29 6.543 -8.543 -2.704 231 HA GLU 29 HA GLU 29 4.385 -9.634 -4.464 232 1HB GLU 29 1HB GLU 29 4.578 -6.771 -3.408 233 2HB GLU 29 2HB GLU 29 3.256 -7.461 -4.311 234 1HG GLU 29 2HG GLU 29 4.136 -8.373 -1.529 235 2HG GLU 29 1HG GLU 29 2.835 -7.253 -1.842 236 H LYS 30 H LYS 30 7.411 -8.194 -4.273 237 HA LYS 30 HA LYS 30 7.313 -7.323 -7.139 238 1HB LYS 30 1HB LYS 30 9.189 -6.356 -4.923 239 2HB LYS 30 2HB LYS 30 9.226 -5.826 -6.590 240 1HG LYS 30 2HG LYS 30 8.073 -4.098 -5.477 241 2HG LYS 30 1HG LYS 30 6.812 -5.009 -6.272 242 1HD LYS 30 2HD LYS 30 6.452 -6.210 -3.972 243 2HD LYS 30 1HD LYS 30 7.591 -5.069 -3.324 244 1HE LYS 30 2HE LYS 30 5.217 -4.354 -2.998 245 2HE LYS 30 1HE LYS 30 6.140 -3.180 -3.915 246 1HZ LYS 30 1HZ LYS 30 5.002 -5.055 -5.679 247 2HZ LYS 30 2HZ LYS 30 4.725 -3.383 -5.566 248 3HZ LYS 30 3HZ LYS 30 3.787 -4.459 -4.657 Start of MODEL 9 1 1H LYS 1 1H LYS 1 -11.319 12.391 -0.350 2 2H LYS 1 2H LYS 1 -10.391 12.078 1.035 3 3H LYS 1 3H LYS 1 -12.085 12.021 1.116 4 HA LYS 1 HA LYS 1 -12.062 9.888 0.650 5 1HB LYS 1 2HB LYS 1 -12.307 10.634 -1.697 6 2HB LYS 1 1HB LYS 1 -10.573 10.816 -1.857 7 1HG LYS 1 2HG LYS 1 -10.229 8.423 -1.656 8 2HG LYS 1 1HG LYS 1 -11.920 8.151 -1.262 9 1HD LYS 1 2HD LYS 1 -12.532 8.960 -3.559 10 2HD LYS 1 1HD LYS 1 -10.834 9.259 -3.897 11 1HE LYS 1 2HE LYS 1 -11.578 7.062 -4.820 12 2HE LYS 1 1HE LYS 1 -10.313 6.859 -3.616 13 1HZ LYS 1 1HZ LYS 1 -11.670 5.596 -2.447 14 2HZ LYS 1 2HZ LYS 1 -12.870 5.758 -3.637 15 3HZ LYS 1 3HZ LYS 1 -12.814 6.844 -2.333 16 H THR 2 H THR 2 -10.755 7.947 0.478 17 HA THR 2 HA THR 2 -7.921 8.299 1.388 18 HB THR 2 HB THR 2 -8.301 6.338 2.938 19 HG1 THR 2 HG1 THR 2 -9.880 5.113 2.341 20 1HG2 THR 2 1HG2 THR 2 -9.095 8.668 3.747 21 2HG2 THR 2 2HG2 THR 2 -9.987 7.335 4.455 22 3HG2 THR 2 3HG2 THR 2 -10.686 8.271 3.144 23 H TYR 3 H TYR 3 -6.764 6.128 1.190 24 HA TYR 3 HA TYR 3 -7.315 4.898 -1.469 25 1HB TYR 3 1HB TYR 3 -4.621 5.095 -0.065 26 2HB TYR 3 2HB TYR 3 -4.917 4.766 -1.765 27 HD1 TYR 3 HD1 TYR 3 -6.318 6.798 -2.986 28 HD2 TYR 3 HD2 TYR 3 -3.935 7.200 0.526 29 HE1 TYR 3 HE1 TYR 3 -6.103 9.204 -3.395 30 HE2 TYR 3 HE2 TYR 3 -3.727 9.600 0.108 31 HH TYR 3 HH TYR 3 -5.178 11.096 -2.760 32 H GLN 4 H GLN 4 -6.917 2.628 -1.560 33 HA GLN 4 HA GLN 4 -6.861 1.263 1.109 34 1HB GLN 4 1HB GLN 4 -8.831 1.182 -0.981 35 2HB GLN 4 2HB GLN 4 -8.048 -0.373 -1.007 36 1HG GLN 4 2HG GLN 4 -9.207 0.921 1.509 37 2HG GLN 4 1HG GLN 4 -10.063 -0.235 0.515 38 1HE2 GLN 4 1HE2 GLN 4 -7.387 -1.790 0.127 39 2HE2 GLN 4 2HE2 GLN 4 -7.242 -2.669 1.563 40 H CYS 5 H CYS 5 -5.894 -0.775 1.147 41 HA CYS 5 HA CYS 5 -3.444 -0.955 -0.433 42 1HB CYS 5 1HB CYS 5 -3.494 -1.314 2.011 43 2HB CYS 5 2HB CYS 5 -4.590 -2.678 1.789 44 H GLN 6 H GLN 6 -2.845 -2.904 -1.529 45 HA GLN 6 HA GLN 6 -5.146 -4.451 -2.676 46 1HB GLN 6 1HB GLN 6 -2.518 -3.665 -4.032 47 2HB GLN 6 2HB GLN 6 -3.800 -4.597 -4.767 48 1HG GLN 6 2HG GLN 6 -4.080 -2.380 -5.602 49 2HG GLN 6 1HG GLN 6 -5.351 -2.582 -4.415 50 1HE2 GLN 6 2HE2 GLN 6 -2.258 -2.078 -2.892 51 2HE2 GLN 6 1HE2 GLN 6 -2.466 -0.419 -2.594 52 H TYR 7 H TYR 7 -3.687 -5.033 -0.341 53 HA TYR 7 HA TYR 7 -2.542 -7.691 -1.043 54 1HB TYR 7 1HB TYR 7 -1.380 -5.664 0.918 55 2HB TYR 7 2HB TYR 7 -0.705 -7.260 0.623 56 HD1 TYR 7 HD1 TYR 7 -0.056 -7.793 -1.877 57 HD2 TYR 7 HD2 TYR 7 -0.679 -3.833 -0.434 58 HE1 TYR 7 HE1 TYR 7 1.172 -6.890 -3.794 59 HE2 TYR 7 HE2 TYR 7 0.546 -2.943 -2.346 60 HH TYR 7 HH TYR 7 1.620 -3.394 -4.219 61 H CYS 8 H CYS 8 -3.448 -5.534 1.563 62 HA CYS 8 HA CYS 8 -5.105 -7.680 2.839 63 1HB CYS 8 1HB CYS 8 -4.499 -6.810 5.011 64 2HB CYS 8 2HB CYS 8 -3.015 -7.115 4.124 65 H GLU 9 H GLU 9 -6.293 -6.187 4.705 66 HA GLU 9 HA GLU 9 -7.988 -4.304 3.097 67 1HB GLU 9 1HB GLU 9 -9.006 -6.413 4.130 68 2HB GLU 9 2HB GLU 9 -8.678 -5.727 5.707 69 1HG GLU 9 2HG GLU 9 -10.111 -3.735 5.127 70 2HG GLU 9 1HG GLU 9 -10.384 -4.420 3.532 71 H PHE 10 H PHE 10 -5.950 -3.087 3.571 72 HA PHE 10 HA PHE 10 -6.132 -1.504 6.110 73 1HB PHE 10 1HB PHE 10 -3.950 -2.633 5.898 74 2HB PHE 10 2HB PHE 10 -3.773 -2.064 4.241 75 HD1 PHE 10 HD1 PHE 10 -4.121 -0.801 7.758 76 HD2 PHE 10 HD2 PHE 10 -2.697 -0.012 3.814 77 HE1 PHE 10 HE1 PHE 10 -3.052 1.263 8.550 78 HE2 PHE 10 HE2 PHE 10 -1.642 2.102 4.646 79 HZ PHE 10 HZ PHE 10 -1.811 2.710 6.935 80 H ARG 11 H ARG 11 -6.365 0.690 5.906 81 HA ARG 11 HA ARG 11 -6.323 1.903 3.182 82 1HB ARG 11 1HB ARG 11 -8.442 3.142 3.803 83 2HB ARG 11 2HB ARG 11 -8.662 1.416 3.600 84 1HG ARG 11 2HG ARG 11 -8.508 1.137 6.101 85 2HG ARG 11 1HG ARG 11 -8.409 2.888 6.255 86 1HD ARG 11 2HD ARG 11 -10.607 3.139 5.158 87 2HD ARG 11 1HD ARG 11 -10.690 1.402 4.883 88 HE ARG 11 HE ARG 11 -10.671 2.641 7.614 89 1HH1 ARG 11 2HH1 ARG 11 -12.967 1.493 5.691 90 2HH1 ARG 11 1HH1 ARG 11 -13.390 0.086 6.607 91 1HH2 ARG 11 2HH2 ARG 11 -10.561 0.319 8.657 92 2HH2 ARG 11 1HH2 ARG 11 -11.993 -0.596 8.318 93 H SER 12 H SER 12 -5.750 4.023 3.129 94 HA SER 12 HA SER 12 -5.040 5.426 5.671 95 1HB SER 12 2HB SER 12 -2.931 5.072 3.445 96 2HB SER 12 1HB SER 12 -2.611 5.512 5.057 97 HG SER 12 HG SER 12 -2.664 3.658 5.657 98 H ALA 13 H ALA 13 -4.542 7.761 5.267 99 HA ALA 13 HA ALA 13 -5.898 8.754 2.771 100 1HB ALA 13 1HB ALA 13 -6.845 10.576 4.156 101 2HB ALA 13 2HB ALA 13 -6.036 9.932 5.575 102 3HB ALA 13 3HB ALA 13 -7.312 9.014 4.797 103 H ASP 14 H ASP 14 -3.154 8.414 2.762 104 HA ASP 14 HA ASP 14 -2.242 11.269 2.724 105 1HB ASP 14 1HB ASP 14 -1.279 10.137 4.684 106 2HB ASP 14 2HB ASP 14 -0.680 8.853 3.650 107 H SER 15 H SER 15 -1.047 8.140 1.757 108 HA SER 15 HA SER 15 -1.013 7.412 -0.615 109 1HB SER 15 2HB SER 15 -1.245 9.712 -1.672 110 2HB SER 15 1HB SER 15 0.367 10.147 -1.086 111 HG SER 15 HG SER 15 1.131 9.091 -2.704 112 H SER 16 H SER 16 1.750 9.513 0.386 113 HA SER 16 HA SER 16 3.714 7.525 -0.226 114 1HB SER 16 2HB SER 16 5.283 8.907 1.168 115 2HB SER 16 1HB SER 16 4.274 9.987 0.194 116 HG SER 16 HG SER 16 3.433 10.705 1.959 117 H ASN 17 H ASN 17 1.723 8.125 2.539 118 HA ASN 17 HA ASN 17 3.000 6.393 4.429 119 1HB ASN 17 1HB ASN 17 1.208 8.123 4.996 120 2HB ASN 17 2HB ASN 17 0.031 7.063 4.224 121 1HD2 ASN 17 2HD2 ASN 17 1.402 7.791 7.211 122 2HD2 ASN 17 1HD2 ASN 17 0.986 6.363 8.026 123 H LEU 18 H LEU 18 0.233 5.887 2.194 124 HA LEU 18 HA LEU 18 -0.134 3.144 2.827 125 1HB LEU 18 1HB LEU 18 -1.782 4.479 1.483 126 2HB LEU 18 2HB LEU 18 -0.621 4.603 0.167 127 HG LEU 18 HG LEU 18 -0.705 2.189 -0.239 128 1HD1 LEU 18 1HD1 LEU 18 -2.696 2.034 2.080 129 2HD1 LEU 18 2HD1 LEU 18 -1.069 1.380 2.114 130 3HD1 LEU 18 3HD1 LEU 18 -2.249 0.709 1.012 131 1HD2 LEU 18 1HD2 LEU 18 -3.515 3.341 0.078 132 2HD2 LEU 18 2HD2 LEU 18 -3.064 2.001 -0.960 133 3HD2 LEU 18 3HD2 LEU 18 -2.457 3.612 -1.302 134 H LYS 19 H LYS 19 1.943 4.693 0.415 135 HA LYS 19 HA LYS 19 2.993 2.307 -0.739 136 1HB LYS 19 1HB LYS 19 3.389 4.805 -1.473 137 2HB LYS 19 2HB LYS 19 4.576 4.887 -0.190 138 1HG LYS 19 2HG LYS 19 5.827 2.974 -1.259 139 2HG LYS 19 1HG LYS 19 4.650 2.967 -2.559 140 1HD LYS 19 2HD LYS 19 6.420 4.285 -3.433 141 2HD LYS 19 1HD LYS 19 5.243 5.472 -2.910 142 1HE LYS 19 2HE LYS 19 7.399 6.230 -2.101 143 2HE LYS 19 1HE LYS 19 6.548 5.628 -0.689 144 1HZ LYS 19 1HZ LYS 19 7.898 3.494 -1.911 145 2HZ LYS 19 2HZ LYS 19 8.147 4.166 -0.370 146 3HZ LYS 19 3HZ LYS 19 8.984 4.783 -1.715 147 H THR 20 H THR 20 4.344 4.230 1.949 148 HA THR 20 HA THR 20 6.435 2.500 2.632 149 HB THR 20 HB THR 20 4.599 4.121 4.551 150 HG1 THR 20 HG1 THR 20 5.503 5.351 2.994 151 1HG2 THR 20 1HG2 THR 20 6.239 2.472 5.717 152 2HG2 THR 20 2HG2 THR 20 6.597 4.161 6.030 153 3HG2 THR 20 3HG2 THR 20 7.546 3.261 4.855 154 H HIS 21 H HIS 21 3.066 2.367 3.780 155 HA HIS 21 HA HIS 21 3.182 0.075 5.360 156 1HB HIS 21 1HB HIS 21 1.104 1.331 5.208 157 2HB HIS 21 2HB HIS 21 0.974 1.084 3.486 158 HD1 HIS 21 HD1 HIS 21 0.568 -0.865 6.642 159 HD2 HIS 21 HD2 HIS 21 -0.127 -1.286 2.637 160 HE1 HIS 21 HE1 HIS 21 -0.772 -2.926 6.381 161 H ILE 22 H ILE 22 2.347 0.123 1.878 162 HA ILE 22 HA ILE 22 2.327 -2.582 1.320 163 HB ILE 22 HB ILE 22 3.283 -0.232 -0.398 164 1HG1 ILE 22 2HG1 ILE 22 0.632 -1.734 -0.382 165 2HG1 ILE 22 1HG1 ILE 22 0.884 -0.239 0.487 166 1HG2 ILE 22 1HG2 ILE 22 2.607 -3.059 -1.314 167 2HG2 ILE 22 2HG2 ILE 22 4.196 -2.326 -1.361 168 3HG2 ILE 22 3HG2 ILE 22 2.928 -1.699 -2.380 169 1HD1 ILE 22 1HD ILE 22 1.102 -0.588 -2.537 170 2HD1 ILE 22 2HD ILE 22 1.431 0.906 -1.672 171 3HD1 ILE 22 3HD ILE 22 -0.186 0.227 -1.671 172 H LYS 23 H LYS 23 5.179 -0.564 1.661 173 HA LYS 23 HA LYS 23 6.932 -2.721 0.787 174 1HB LYS 23 1HB LYS 23 7.228 -0.101 0.664 175 2HB LYS 23 2HB LYS 23 7.825 -0.240 2.298 176 1HG LYS 23 2HG LYS 23 8.955 -1.730 -0.100 177 2HG LYS 23 1HG LYS 23 9.631 -0.268 0.586 178 1HD LYS 23 2HD LYS 23 10.025 -1.443 2.737 179 2HD LYS 23 1HD LYS 23 9.370 -2.925 2.072 180 1HE LYS 23 2HE LYS 23 11.121 -2.862 0.274 181 2HE LYS 23 1HE LYS 23 11.819 -1.448 1.051 182 1HZ LYS 23 1HZ LYS 23 12.898 -2.762 2.405 183 2HZ LYS 23 2HZ LYS 23 12.223 -4.133 1.661 184 3HZ LYS 23 3HZ LYS 23 11.442 -3.421 2.990 185 H THR 24 H THR 24 6.747 -0.959 3.798 186 HA THR 24 HA THR 24 8.192 -2.459 5.561 187 HB THR 24 HB THR 24 5.636 -0.876 6.208 188 HG1 THR 24 HG1 THR 24 8.034 -0.268 5.104 189 1HG2 THR 24 1HG2 THR 24 6.749 -2.112 8.187 190 2HG2 THR 24 2HG2 THR 24 6.863 -0.364 8.310 191 3HG2 THR 24 3HG2 THR 24 8.249 -1.300 7.774 192 H LYS 25 H LYS 25 4.790 -3.011 4.822 193 HA LYS 25 HA LYS 25 4.696 -5.346 6.615 194 1HB LYS 25 1HB LYS 25 2.662 -3.443 5.517 195 2HB LYS 25 2HB LYS 25 2.124 -5.078 5.848 196 1HG LYS 25 2HG LYS 25 1.763 -3.621 7.780 197 2HG LYS 25 1HG LYS 25 2.869 -4.920 8.159 198 1HD LYS 25 2HD LYS 25 4.796 -3.326 7.891 199 2HD LYS 25 1HD LYS 25 3.662 -2.028 7.537 200 1HE LYS 25 2HE LYS 25 4.323 -1.992 9.934 201 2HE LYS 25 1HE LYS 25 2.623 -2.426 9.812 202 1HZ LYS 25 1HZ LYS 25 3.058 -4.302 10.844 203 2HZ LYS 25 2HZ LYS 25 4.696 -3.868 10.974 204 3HZ LYS 25 3HZ LYS 25 4.156 -4.763 9.636 205 H HIS 26 H HIS 26 4.369 -4.668 3.115 206 HA HIS 26 HA HIS 26 3.739 -7.588 2.831 207 1HB HIS 26 1HB HIS 26 3.277 -5.335 0.860 208 2HB HIS 26 2HB HIS 26 2.893 -7.016 0.588 209 HD1 HIS 26 HD1 HIS 26 1.438 -7.932 2.878 210 HD2 HIS 26 HD2 HIS 26 1.046 -4.012 1.802 211 HE1 HIS 26 HE1 HIS 26 -0.669 -7.139 3.895 212 H SER 27 H SER 27 5.384 -5.374 0.705 213 HA SER 27 HA SER 27 6.853 -7.101 -0.830 214 1HB SER 27 2HB SER 27 8.512 -5.343 -1.230 215 2HB SER 27 1HB SER 27 6.974 -4.533 -0.926 216 HG SER 27 HG SER 27 7.947 -4.874 1.427 217 H LYS 28 H LYS 28 7.825 -6.051 2.313 218 HA LYS 28 HA LYS 28 10.276 -6.920 2.878 219 1HB LYS 28 1HB LYS 28 9.616 -7.225 5.164 220 2HB LYS 28 2HB LYS 28 8.472 -6.078 4.504 221 1HG LYS 28 2HG LYS 28 6.842 -7.978 4.135 222 2HG LYS 28 1HG LYS 28 7.980 -9.060 4.924 223 1HD LYS 28 2HD LYS 28 7.888 -7.374 6.910 224 2HD LYS 28 1HD LYS 28 6.438 -6.773 6.136 225 1HE LYS 28 2HE LYS 28 6.940 -9.619 7.099 226 2HE LYS 28 1HE LYS 28 5.784 -8.474 7.763 227 1HZ LYS 28 1HZ LYS 28 4.293 -9.205 6.355 228 2HZ LYS 28 2HZ LYS 28 5.410 -10.314 5.712 229 3HZ LYS 28 3HZ LYS 28 5.261 -8.766 5.031 230 H GLU 29 H GLU 29 7.622 -9.095 2.565 231 HA GLU 29 HA GLU 29 9.445 -11.462 2.425 232 1HB GLU 29 1HB GLU 29 7.962 -11.287 4.501 233 2HB GLU 29 2HB GLU 29 6.565 -11.381 3.449 234 1HG GLU 29 2HG GLU 29 7.413 -13.620 2.604 235 2HG GLU 29 1HG GLU 29 8.738 -13.498 3.751 236 H LYS 30 H LYS 30 9.288 -10.281 0.267 237 HA LYS 30 HA LYS 30 7.804 -9.907 -1.733 238 1HB LYS 30 1HB LYS 30 9.194 -11.372 -3.235 239 2HB LYS 30 2HB LYS 30 10.107 -10.414 -2.092 240 1HG LYS 30 2HG LYS 30 10.258 -12.418 -0.560 241 2HG LYS 30 1HG LYS 30 9.433 -13.376 -1.777 242 1HD LYS 30 2HD LYS 30 11.238 -12.870 -3.413 243 2HD LYS 30 1HD LYS 30 12.073 -11.921 -2.194 244 1HE LYS 30 2HE LYS 30 13.032 -14.201 -2.336 245 2HE LYS 30 1HE LYS 30 12.303 -13.943 -0.760 246 1HZ LYS 30 1HZ LYS 30 11.727 -15.920 -2.629 247 2HZ LYS 30 2HZ LYS 30 10.349 -14.937 -2.506 248 3HZ LYS 30 3HZ LYS 30 11.000 -15.667 -1.117 Start of MODEL 10 1 1H LYS 1 1H LYS 1 -9.999 9.731 -1.234 2 2H LYS 1 2H LYS 1 -9.656 11.342 -1.642 3 3H LYS 1 3H LYS 1 -11.040 10.976 -0.732 4 HA LYS 1 HA LYS 1 -8.465 11.574 0.155 5 1HB LYS 1 2HB LYS 1 -11.051 10.759 1.566 6 2HB LYS 1 1HB LYS 1 -9.645 11.330 2.431 7 1HG LYS 1 2HG LYS 1 -10.617 13.066 0.174 8 2HG LYS 1 1HG LYS 1 -11.626 12.983 1.597 9 1HD LYS 1 2HD LYS 1 -10.077 14.875 1.790 10 2HD LYS 1 1HD LYS 1 -9.710 13.680 3.012 11 1HE LYS 1 2HE LYS 1 -7.794 12.859 1.680 12 2HE LYS 1 1HE LYS 1 -8.187 14.000 0.393 13 1HZ LYS 1 1HZ LYS 1 -6.665 14.406 2.692 14 2HZ LYS 1 2HZ LYS 1 -8.045 15.393 2.814 15 3HZ LYS 1 3HZ LYS 1 -7.029 15.524 1.464 16 H THR 2 H THR 2 -10.374 8.587 0.573 17 HA THR 2 HA THR 2 -8.011 7.329 1.866 18 HB THR 2 HB THR 2 -9.570 5.416 2.366 19 HG1 THR 2 HG1 THR 2 -11.835 6.518 1.548 20 1HG2 THR 2 1HG2 THR 2 -9.725 7.485 3.865 21 2HG2 THR 2 2HG2 THR 2 -11.256 6.635 3.732 22 3HG2 THR 2 3HG2 THR 2 -10.989 8.108 2.818 23 H TYR 3 H TYR 3 -6.911 5.772 1.082 24 HA TYR 3 HA TYR 3 -7.242 4.867 -1.740 25 1HB TYR 3 1HB TYR 3 -4.719 5.010 -0.084 26 2HB TYR 3 2HB TYR 3 -4.805 4.872 -1.831 27 HD1 TYR 3 HD1 TYR 3 -6.563 7.065 -2.680 28 HD2 TYR 3 HD2 TYR 3 -3.829 6.992 0.586 29 HE1 TYR 3 HE1 TYR 3 -6.404 9.509 -2.741 30 HE2 TYR 3 HE2 TYR 3 -3.662 9.417 0.509 31 HH TYR 3 HH TYR 3 -4.253 11.282 -0.548 32 H GLN 4 H GLN 4 -6.207 2.575 -1.987 33 HA GLN 4 HA GLN 4 -6.588 0.985 0.521 34 1HB GLN 4 1HB GLN 4 -8.622 0.844 -0.942 35 2HB GLN 4 2HB GLN 4 -7.630 0.173 -2.216 36 1HG GLN 4 2HG GLN 4 -8.665 -1.700 -1.021 37 2HG GLN 4 1HG GLN 4 -6.968 -1.719 -0.617 38 1HE2 GLN 4 2HE2 GLN 4 -6.720 -2.142 1.619 39 2HE2 GLN 4 1HE2 GLN 4 -7.768 -1.533 2.810 40 H CYS 5 H CYS 5 -5.085 -0.329 0.993 41 HA CYS 5 HA CYS 5 -2.603 -0.645 -0.057 42 1HB CYS 5 1HB CYS 5 -3.116 -1.435 2.092 43 2HB CYS 5 2HB CYS 5 -4.317 -2.590 1.501 44 H GLN 6 H GLN 6 -4.946 -3.183 -0.457 45 HA GLN 6 HA GLN 6 -5.615 -4.256 -2.513 46 1HB GLN 6 1HB GLN 6 -2.702 -3.831 -3.412 47 2HB GLN 6 2HB GLN 6 -3.872 -4.788 -4.271 48 1HG GLN 6 2HG GLN 6 -5.368 -2.888 -4.599 49 2HG GLN 6 1HG GLN 6 -4.308 -1.820 -3.706 50 1HE2 GLN 6 2HE2 GLN 6 -2.856 -0.685 -4.978 51 2HE2 GLN 6 1HE2 GLN 6 -2.342 -1.153 -6.527 52 H TYR 7 H TYR 7 -3.657 -4.913 -0.025 53 HA TYR 7 HA TYR 7 -3.406 -7.824 -0.706 54 1HB TYR 7 1HB TYR 7 -1.655 -6.118 1.133 55 2HB TYR 7 2HB TYR 7 -1.449 -7.836 0.872 56 HD1 TYR 7 HD1 TYR 7 -1.323 -8.544 -1.717 57 HD2 TYR 7 HD2 TYR 7 -0.422 -4.656 -0.244 58 HE1 TYR 7 HE1 TYR 7 -0.025 -8.082 -3.736 59 HE2 TYR 7 HE2 TYR 7 0.871 -4.196 -2.268 60 HH TYR 7 HH TYR 7 1.186 -6.609 -4.847 61 H CYS 8 H CYS 8 -3.627 -5.540 1.953 62 HA CYS 8 HA CYS 8 -5.490 -7.387 3.415 63 1HB CYS 8 1HB CYS 8 -4.747 -6.296 5.474 64 2HB CYS 8 2HB CYS 8 -3.338 -6.896 4.623 65 H GLU 9 H GLU 9 -6.518 -5.609 5.131 66 HA GLU 9 HA GLU 9 -7.964 -3.704 3.298 67 1HB GLU 9 1HB GLU 9 -9.253 -5.546 4.682 68 2HB GLU 9 2HB GLU 9 -8.979 -4.518 6.072 69 1HG GLU 9 2HG GLU 9 -10.404 -3.709 3.478 70 2HG GLU 9 1HG GLU 9 -11.173 -3.979 5.027 71 H PHE 10 H PHE 10 -5.893 -2.629 3.578 72 HA PHE 10 HA PHE 10 -5.836 -0.897 6.024 73 1HB PHE 10 1HB PHE 10 -3.758 -2.190 5.734 74 2HB PHE 10 2HB PHE 10 -3.542 -1.608 4.091 75 HD1 PHE 10 HD1 PHE 10 -3.774 -0.516 7.658 76 HD2 PHE 10 HD2 PHE 10 -2.463 0.524 3.750 77 HE1 PHE 10 HE1 PHE 10 -2.641 1.460 8.562 78 HE2 PHE 10 HE2 PHE 10 -1.335 2.539 4.672 79 HZ PHE 10 HZ PHE 10 -1.424 2.993 7.055 80 H ARG 11 H ARG 11 -7.043 0.647 5.456 81 HA ARG 11 HA ARG 11 -6.691 1.991 2.802 82 1HB ARG 11 1HB ARG 11 -9.018 2.770 3.022 83 2HB ARG 11 2HB ARG 11 -8.970 1.032 3.153 84 1HG ARG 11 2HG ARG 11 -9.025 1.318 5.715 85 2HG ARG 11 1HG ARG 11 -9.355 3.021 5.421 86 1HD ARG 11 2HD ARG 11 -11.082 0.723 4.464 87 2HD ARG 11 1HD ARG 11 -11.480 1.879 5.722 88 HE ARG 11 HE ARG 11 -11.452 3.666 3.966 89 1HH1 ARG 11 2HH2 ARG 11 -12.545 0.500 3.380 90 2HH1 ARG 11 1HH2 ARG 11 -12.909 0.771 1.711 91 1HH2 ARG 11 2HH1 ARG 11 -11.572 3.984 1.631 92 2HH2 ARG 11 1HH1 ARG 11 -12.345 2.729 0.742 93 H SER 12 H SER 12 -5.583 3.708 3.009 94 HA SER 12 HA SER 12 -5.722 5.333 5.527 95 1HB SER 12 2HB SER 12 -3.280 4.540 3.871 96 2HB SER 12 1HB SER 12 -3.117 5.458 5.319 97 HG SER 12 HG SER 12 -3.798 2.833 5.062 98 H ALA 13 H ALA 13 -5.070 7.566 5.188 99 HA ALA 13 HA ALA 13 -5.689 8.531 2.414 100 1HB ALA 13 1HB ALA 13 -7.568 8.917 4.025 101 2HB ALA 13 2HB ALA 13 -6.863 10.451 3.541 102 3HB ALA 13 3HB ALA 13 -6.476 9.759 5.110 103 H ASP 14 H ASP 14 -3.172 7.889 3.119 104 HA ASP 14 HA ASP 14 -1.874 10.565 3.491 105 1HB ASP 14 1HB ASP 14 -1.739 8.477 5.279 106 2HB ASP 14 2HB ASP 14 -0.338 8.115 4.295 107 H SER 15 H SER 15 -1.076 7.309 2.300 108 HA SER 15 HA SER 15 0.465 6.647 0.656 109 1HB SER 15 2HB SER 15 -1.704 8.257 -0.713 110 2HB SER 15 1HB SER 15 -0.577 7.256 -1.627 111 HG SER 15 HG SER 15 -1.576 5.572 -0.908 112 H SER 16 H SER 16 3.034 9.122 0.104 113 HA SER 16 HA SER 16 2.575 6.545 1.238 114 1HB SER 16 2HB SER 16 4.604 8.759 1.709 115 2HB SER 16 1HB SER 16 4.675 7.277 2.663 116 HG SER 16 HG SER 16 5.410 6.321 0.998 117 H ASN 17 H ASN 17 1.476 7.323 4.637 118 HA ASN 17 HA ASN 17 3.468 5.736 3.186 119 1HB ASN 17 1HB ASN 17 2.528 5.652 6.077 120 2HB ASN 17 2HB ASN 17 3.837 4.679 5.418 121 1HD2 ASN 17 2HD2 ASN 17 3.155 7.614 6.955 122 2HD2 ASN 17 1HD2 ASN 17 4.606 8.422 6.607 123 H LEU 18 H LEU 18 1.524 5.270 1.824 124 HA LEU 18 HA LEU 18 0.141 2.776 2.729 125 1HB LEU 18 1HB LEU 18 -1.330 4.533 1.631 126 2HB LEU 18 2HB LEU 18 -0.296 4.436 0.202 127 HG LEU 18 HG LEU 18 -0.954 2.104 -0.219 128 1HD1 LEU 18 1HD1 LEU 18 -2.640 0.977 1.260 129 2HD1 LEU 18 2HD1 LEU 18 -2.572 2.333 2.363 130 3HD1 LEU 18 3HD1 LEU 18 -1.162 1.307 2.128 131 1HD2 LEU 18 1HD2 LEU 18 -2.524 3.869 -1.021 132 2HD2 LEU 18 2HD2 LEU 18 -3.364 3.757 0.522 133 3HD2 LEU 18 3HD2 LEU 18 -3.388 2.403 -0.594 134 H LYS 19 H LYS 19 2.231 4.237 0.389 135 HA LYS 19 HA LYS 19 2.817 1.726 -1.023 136 1HB LYS 19 1HB LYS 19 4.195 4.490 -1.039 137 2HB LYS 19 2HB LYS 19 4.527 3.225 -2.208 138 1HG LYS 19 2HG LYS 19 1.773 4.499 -1.822 139 2HG LYS 19 1HG LYS 19 2.927 5.029 -3.028 140 1HD LYS 19 2HD LYS 19 2.881 2.769 -4.075 141 2HD LYS 19 1HD LYS 19 1.778 2.193 -2.841 142 1HE LYS 19 2HE LYS 19 0.534 2.782 -4.891 143 2HE LYS 19 1HE LYS 19 0.075 3.853 -3.575 144 1HZ LYS 19 1HZ LYS 19 2.267 4.985 -4.886 145 2HZ LYS 19 2HZ LYS 19 0.670 5.555 -4.802 146 3HZ LYS 19 3HZ LYS 19 1.133 4.524 -6.062 147 H THR 20 H THR 20 3.921 3.748 1.544 148 HA THR 20 HA THR 20 6.357 2.178 2.075 149 HB THR 20 HB THR 20 4.948 4.508 3.414 150 HG1 THR 20 HG1 THR 20 5.961 5.419 1.767 151 1HG2 THR 20 1HG2 THR 20 6.482 3.360 5.091 152 2HG2 THR 20 2HG2 THR 20 7.098 4.915 4.608 153 3HG2 THR 20 3HG2 THR 20 7.776 3.456 3.903 154 H HIS 21 H HIS 21 3.350 1.605 2.403 155 HA HIS 21 HA HIS 21 3.436 0.149 5.031 156 1HB HIS 21 1HB HIS 21 1.286 1.350 4.842 157 2HB HIS 21 2HB HIS 21 1.125 0.974 3.146 158 HD1 HIS 21 HD1 HIS 21 0.889 -0.775 6.453 159 HD2 HIS 21 HD2 HIS 21 -0.102 -1.393 2.541 160 HE1 HIS 21 HE1 HIS 21 -0.482 -2.831 6.402 161 H ILE 22 H ILE 22 2.228 -0.365 1.648 162 HA ILE 22 HA ILE 22 2.378 -3.105 1.522 163 HB ILE 22 HB ILE 22 3.202 -1.033 -0.578 164 1HG1 ILE 22 2HG1 ILE 22 0.617 -2.612 -0.137 165 2HG1 ILE 22 1HG1 ILE 22 0.831 -0.950 0.352 166 1HG2 ILE 22 1HG2 ILE 22 2.852 -2.875 -2.261 167 2HG2 ILE 22 2HG2 ILE 22 2.586 -4.010 -0.947 168 3HG2 ILE 22 3HG2 ILE 22 4.156 -3.265 -1.162 169 1HD1 ILE 22 1HD ILE 22 -0.377 -1.039 -1.762 170 2HD1 ILE 22 2HD ILE 22 0.911 -1.952 -2.522 171 3HD1 ILE 22 3HD ILE 22 1.184 -0.289 -2.024 172 H LYS 23 H LYS 23 4.999 -0.829 1.056 173 HA LYS 23 HA LYS 23 7.102 -2.885 1.394 174 1HB LYS 23 1HB LYS 23 7.454 -1.690 -0.576 175 2HB LYS 23 2HB LYS 23 6.998 -0.151 0.105 176 1HG LYS 23 2HG LYS 23 9.125 -0.462 1.638 177 2HG LYS 23 1HG LYS 23 9.542 -1.788 0.583 178 1HD LYS 23 2HD LYS 23 10.724 0.224 -0.154 179 2HD LYS 23 1HD LYS 23 9.533 -0.202 -1.365 180 1HE LYS 23 2HE LYS 23 9.537 2.254 -0.893 181 2HE LYS 23 1HE LYS 23 7.987 1.549 -0.495 182 1HZ LYS 23 1HZ LYS 23 8.209 2.291 1.547 183 2HZ LYS 23 2HZ LYS 23 9.720 2.961 1.166 184 3HZ LYS 23 3HZ LYS 23 9.625 1.379 1.764 185 H THR 24 H THR 24 7.440 -1.201 4.602 186 HA THR 24 HA THR 24 7.379 -3.746 3.028 187 HB THR 24 HB THR 24 9.552 -3.025 3.246 188 HG1 THR 24 HG1 THR 24 9.683 -4.917 5.218 189 1HG2 THR 24 1HG2 THR 24 10.718 -2.780 5.475 190 2HG2 THR 24 2HG2 THR 24 9.206 -3.068 6.316 191 3HG2 THR 24 3HG2 THR 24 9.422 -1.604 5.369 192 H LYS 25 H LYS 25 5.244 -3.646 3.921 193 HA LYS 25 HA LYS 25 4.975 -5.041 6.566 194 1HB LYS 25 1HB LYS 25 2.971 -3.546 4.812 195 2HB LYS 25 2HB LYS 25 2.419 -4.647 6.047 196 1HG LYS 25 2HG LYS 25 2.586 -2.186 6.733 197 2HG LYS 25 1HG LYS 25 3.334 -3.340 7.814 198 1HD LYS 25 2HD LYS 25 5.538 -2.759 7.073 199 2HD LYS 25 1HD LYS 25 4.964 -1.870 5.686 200 1HE LYS 25 2HE LYS 25 3.906 -0.216 7.262 201 2HE LYS 25 1HE LYS 25 4.646 -1.098 8.596 202 1HZ LYS 25 1HZ LYS 25 6.492 0.010 8.239 203 2HZ LYS 25 2HZ LYS 25 5.816 0.787 6.881 204 3HZ LYS 25 3HZ LYS 25 6.617 -0.686 6.696 205 H HIS 26 H HIS 26 4.439 -5.287 3.134 206 HA HIS 26 HA HIS 26 3.653 -8.151 3.375 207 1HB HIS 26 1HB HIS 26 3.082 -6.146 1.150 208 2HB HIS 26 2HB HIS 26 2.563 -7.827 1.158 209 HD1 HIS 26 HD1 HIS 26 1.177 -8.243 3.642 210 HD2 HIS 26 HD2 HIS 26 1.028 -4.524 1.952 211 HE1 HIS 26 HE1 HIS 26 -0.806 -7.116 4.596 212 H SER 27 H SER 27 5.301 -5.841 1.418 213 HA SER 27 HA SER 27 7.350 -7.821 0.492 214 1HB SER 27 2HB SER 27 7.406 -6.396 -1.631 215 2HB SER 27 1HB SER 27 5.829 -7.155 -1.370 216 HG SER 27 HG SER 27 6.487 -4.541 -1.338 217 H LYS 28 H LYS 28 9.432 -5.692 2.350 218 HA LYS 28 HA LYS 28 8.195 -8.381 2.077 219 1HB LYS 28 1HB LYS 28 10.130 -9.183 3.335 220 2HB LYS 28 2HB LYS 28 10.656 -8.285 1.942 221 1HG LYS 28 2HG LYS 28 10.458 -6.878 4.624 222 2HG LYS 28 1HG LYS 28 11.809 -7.924 4.276 223 1HD LYS 28 2HD LYS 28 12.416 -6.574 2.296 224 2HD LYS 28 1HD LYS 28 11.070 -5.494 2.537 225 1HE LYS 28 2HE LYS 28 13.062 -4.475 3.470 226 2HE LYS 28 1HE LYS 28 11.970 -4.868 4.785 227 1HZ LYS 28 1HZ LYS 28 14.592 -5.690 4.434 228 2HZ LYS 28 2HZ LYS 28 13.618 -7.078 4.309 229 3HZ LYS 28 3HZ LYS 28 13.522 -6.097 5.688 230 H GLU 29 H GLU 29 8.830 -9.189 4.726 231 HA GLU 29 HA GLU 29 6.843 -7.566 6.274 232 1HB GLU 29 1HB GLU 29 6.036 -9.834 5.513 233 2HB GLU 29 2HB GLU 29 7.306 -10.581 6.454 234 1HG GLU 29 2HG GLU 29 5.129 -8.759 7.598 235 2HG GLU 29 1HG GLU 29 5.068 -10.511 7.633 236 H LYS 30 H LYS 30 8.157 -6.333 7.454 237 HA LYS 30 HA LYS 30 10.064 -7.679 9.337 238 1HB LYS 30 1HB LYS 30 11.317 -6.259 7.781 239 2HB LYS 30 2HB LYS 30 10.215 -4.920 8.037 240 1HG LYS 30 2HG LYS 30 10.942 -4.702 10.376 241 2HG LYS 30 1HG LYS 30 11.922 -6.148 10.267 242 1HD LYS 30 2HD LYS 30 13.362 -5.051 8.558 243 2HD LYS 30 1HD LYS 30 12.354 -3.612 8.621 244 1HE LYS 30 2HE LYS 30 13.924 -4.746 10.977 245 2HE LYS 30 1HE LYS 30 14.424 -3.372 10.004 246 1HZ LYS 30 1HZ LYS 30 12.727 -3.405 12.201 247 2HZ LYS 30 2HZ LYS 30 11.807 -2.931 10.856 248 3HZ LYS 30 3HZ LYS 30 13.215 -2.074 11.265 Start of MODEL 11 1 1H LYS 1 1H LYS 1 -6.058 11.609 -1.181 2 2H LYS 1 2H LYS 1 -5.990 10.837 0.315 3 3H LYS 1 3H LYS 1 -6.110 12.533 0.261 4 HA LYS 1 HA LYS 1 -8.306 12.324 0.387 5 1HB LYS 1 2HB LYS 1 -7.787 10.907 -2.255 6 2HB LYS 1 1HB LYS 1 -9.403 11.334 -1.724 7 1HG LYS 1 2HG LYS 1 -8.973 13.666 -1.800 8 2HG LYS 1 1HG LYS 1 -7.240 13.452 -1.832 9 1HD LYS 1 2HD LYS 1 -8.352 14.157 -4.034 10 2HD LYS 1 1HD LYS 1 -7.227 12.821 -4.126 11 1HE LYS 1 2HE LYS 1 -10.211 12.310 -3.799 12 2HE LYS 1 1HE LYS 1 -9.503 12.584 -5.383 13 1HZ LYS 1 1HZ LYS 1 -8.890 10.490 -5.405 14 2HZ LYS 1 2HZ LYS 1 -9.478 10.248 -3.833 15 3HZ LYS 1 3HZ LYS 1 -7.876 10.764 -4.071 16 H THR 2 H THR 2 -8.682 9.375 -1.319 17 HA THR 2 HA THR 2 -8.575 7.712 1.148 18 HB THR 2 HB THR 2 -10.729 6.639 0.414 19 HG1 THR 2 HG1 THR 2 -11.423 7.250 -1.476 20 1HG2 THR 2 1HG2 THR 2 -10.991 9.684 0.859 21 2HG2 THR 2 2HG2 THR 2 -10.836 8.516 2.161 22 3HG2 THR 2 3HG2 THR 2 -12.265 8.513 1.144 23 H TYR 3 H TYR 3 -7.311 6.118 0.703 24 HA TYR 3 HA TYR 3 -7.275 4.867 -2.010 25 1HB TYR 3 1HB TYR 3 -4.852 5.461 -0.264 26 2HB TYR 3 2HB TYR 3 -4.795 4.825 -1.900 27 HD1 TYR 3 HD1 TYR 3 -6.409 6.413 -3.579 28 HD2 TYR 3 HD2 TYR 3 -4.368 7.739 -0.081 29 HE1 TYR 3 HE1 TYR 3 -6.511 8.716 -4.390 30 HE2 TYR 3 HE2 TYR 3 -4.462 10.036 -0.896 31 HH TYR 3 HH TYR 3 -6.211 10.860 -3.880 32 H GLN 4 H GLN 4 -6.110 2.714 -1.939 33 HA GLN 4 HA GLN 4 -6.742 1.208 0.574 34 1HB GLN 4 1HB GLN 4 -8.057 0.950 -1.908 35 2HB GLN 4 2HB GLN 4 -6.926 -0.376 -1.920 36 1HG GLN 4 2HG GLN 4 -9.066 0.137 0.185 37 2HG GLN 4 1HG GLN 4 -9.072 -1.129 -1.015 38 1HE2 GLN 4 1HE2 GLN 4 -8.023 -3.110 -0.483 39 2HE2 GLN 4 2HE2 GLN 4 -7.166 -3.348 0.963 40 H CYS 5 H CYS 5 -5.562 -0.869 0.670 41 HA CYS 5 HA CYS 5 -2.731 -0.490 0.070 42 1HB CYS 5 1HB CYS 5 -3.157 -1.316 2.193 43 2HB CYS 5 2HB CYS 5 -4.331 -2.510 1.635 44 H GLN 6 H GLN 6 -4.942 -3.201 -0.474 45 HA GLN 6 HA GLN 6 -5.258 -4.131 -2.753 46 1HB GLN 6 1HB GLN 6 -3.231 -3.048 -3.806 47 2HB GLN 6 2HB GLN 6 -2.183 -4.073 -2.834 48 1HG GLN 6 2HG GLN 6 -3.124 -6.088 -4.000 49 2HG GLN 6 1HG GLN 6 -4.099 -5.014 -5.003 50 1HE2 GLN 6 1HE2 GLN 6 -1.203 -6.659 -4.908 51 2HE2 GLN 6 2HE2 GLN 6 -0.315 -5.735 -6.020 52 H TYR 7 H TYR 7 -2.922 -4.843 -0.335 53 HA TYR 7 HA TYR 7 -3.293 -7.780 -0.639 54 1HB TYR 7 1HB TYR 7 -1.354 -6.237 1.127 55 2HB TYR 7 2HB TYR 7 -1.332 -7.969 0.842 56 HD1 TYR 7 HD1 TYR 7 -1.240 -8.680 -1.730 57 HD2 TYR 7 HD2 TYR 7 -0.032 -4.862 -0.267 58 HE1 TYR 7 HE1 TYR 7 0.105 -8.325 -3.745 59 HE2 TYR 7 HE2 TYR 7 1.309 -4.511 -2.277 60 HH TYR 7 HH TYR 7 2.124 -5.447 -4.149 61 H CYS 8 H CYS 8 -3.372 -5.395 2.010 62 HA CYS 8 HA CYS 8 -5.157 -7.284 3.513 63 1HB CYS 8 1HB CYS 8 -4.279 -6.389 5.543 64 2HB CYS 8 2HB CYS 8 -2.899 -6.702 4.502 65 H GLU 9 H GLU 9 -5.995 -5.559 5.414 66 HA GLU 9 HA GLU 9 -7.966 -3.891 3.923 67 1HB GLU 9 1HB GLU 9 -8.009 -4.814 6.841 68 2HB GLU 9 2HB GLU 9 -9.346 -4.106 5.953 69 1HG GLU 9 2HG GLU 9 -7.995 -6.759 5.242 70 2HG GLU 9 1HG GLU 9 -9.507 -6.617 6.108 71 H PHE 10 H PHE 10 -5.679 -2.724 3.815 72 HA PHE 10 HA PHE 10 -5.652 -0.629 5.954 73 1HB PHE 10 1HB PHE 10 -3.541 -1.883 5.874 74 2HB PHE 10 2HB PHE 10 -3.292 -1.508 4.181 75 HD1 PHE 10 HD1 PHE 10 -3.230 -0.234 7.615 76 HD2 PHE 10 HD2 PHE 10 -2.828 0.906 3.529 77 HE1 PHE 10 HE1 PHE 10 -2.258 1.910 8.309 78 HE2 PHE 10 HE2 PHE 10 -1.865 3.092 4.255 79 HZ PHE 10 HZ PHE 10 -1.581 3.569 6.611 80 H ARG 11 H ARG 11 -7.093 0.537 5.078 81 HA ARG 11 HA ARG 11 -6.567 1.884 2.456 82 1HB ARG 11 1HB ARG 11 -9.152 2.583 2.887 83 2HB ARG 11 2HB ARG 11 -8.743 1.120 2.046 84 1HG ARG 11 2HG ARG 11 -9.201 1.088 5.046 85 2HG ARG 11 1HG ARG 11 -10.541 1.005 3.919 86 1HD ARG 11 2HD ARG 11 -9.347 -0.942 2.768 87 2HD ARG 11 1HD ARG 11 -8.213 -0.971 4.109 88 HE ARG 11 HE ARG 11 -10.189 -1.426 5.595 89 1HH1 ARG 11 2HH1 ARG 11 -9.513 -3.259 3.003 90 2HH1 ARG 11 1HH1 ARG 11 -11.114 -3.849 2.703 91 1HH2 ARG 11 1HH2 ARG 11 -12.594 -1.563 4.898 92 2HH2 ARG 11 2HH2 ARG 11 -12.900 -2.866 3.800 93 H SER 12 H SER 12 -5.585 3.671 2.924 94 HA SER 12 HA SER 12 -6.335 5.220 5.369 95 1HB SER 12 2HB SER 12 -3.708 4.721 3.944 96 2HB SER 12 1HB SER 12 -3.757 5.852 5.243 97 HG SER 12 HG SER 12 -4.187 3.120 5.313 98 H ALA 13 H ALA 13 -5.505 7.534 5.149 99 HA ALA 13 HA ALA 13 -6.477 8.647 2.549 100 1HB ALA 13 1HB ALA 13 -8.103 8.996 4.409 101 2HB ALA 13 2HB ALA 13 -7.423 10.535 3.915 102 3HB ALA 13 3HB ALA 13 -6.853 9.757 5.377 103 H ASP 14 H ASP 14 -3.814 8.005 2.971 104 HA ASP 14 HA ASP 14 -2.592 10.743 3.091 105 1HB ASP 14 1HB ASP 14 -1.962 9.334 5.095 106 2HB ASP 14 2HB ASP 14 -1.325 8.137 4.012 107 H SER 15 H SER 15 -1.289 7.616 2.240 108 HA SER 15 HA SER 15 -0.913 6.726 0.032 109 1HB SER 15 2HB SER 15 -1.759 8.849 -1.183 110 2HB SER 15 1HB SER 15 -0.176 9.582 -0.883 111 HG SER 15 HG SER 15 -0.869 7.766 -2.709 112 H SER 16 H SER 16 1.166 9.405 1.252 113 HA SER 16 HA SER 16 3.592 8.199 0.336 114 1HB SER 16 2HB SER 16 4.772 9.748 1.822 115 2HB SER 16 1HB SER 16 3.323 10.608 1.307 116 HG SER 16 HG SER 16 2.705 9.164 3.446 117 H ASN 17 H ASN 17 1.714 7.735 3.311 118 HA ASN 17 HA ASN 17 3.654 5.667 4.211 119 1HB ASN 17 1HB ASN 17 2.381 5.700 6.339 120 2HB ASN 17 2HB ASN 17 2.911 7.310 5.889 121 1HD2 ASN 17 2HD2 ASN 17 1.333 8.733 6.526 122 2HD2 ASN 17 1HD2 ASN 17 -0.333 8.530 6.279 123 H LEU 18 H LEU 18 1.678 5.444 1.925 124 HA LEU 18 HA LEU 18 0.127 3.056 2.801 125 1HB LEU 18 1HB LEU 18 -1.195 4.857 1.691 126 2HB LEU 18 2HB LEU 18 -0.080 4.829 0.327 127 HG LEU 18 HG LEU 18 -0.763 2.612 -0.339 128 1HD1 LEU 18 1HD1 LEU 18 -1.172 1.596 1.920 129 2HD1 LEU 18 2HD1 LEU 18 -2.557 1.394 0.868 130 3HD1 LEU 18 3HD1 LEU 18 -2.585 2.631 2.108 131 1HD2 LEU 18 1HD2 LEU 18 -2.147 4.541 -1.070 132 2HD2 LEU 18 2HD2 LEU 18 -3.150 4.363 0.363 133 3HD2 LEU 18 3HD2 LEU 18 -3.143 3.117 -0.872 134 H LYS 19 H LYS 19 2.203 4.408 0.259 135 HA LYS 19 HA LYS 19 2.791 1.807 -0.913 136 1HB LYS 19 1HB LYS 19 4.590 4.288 -1.009 137 2HB LYS 19 2HB LYS 19 4.560 2.962 -2.162 138 1HG LYS 19 2HG LYS 19 2.110 3.611 -2.634 139 2HG LYS 19 1HG LYS 19 2.416 5.069 -1.709 140 1HD LYS 19 2HD LYS 19 4.459 5.419 -3.287 141 2HD LYS 19 1HD LYS 19 3.734 4.170 -4.286 142 1HE LYS 19 2HE LYS 19 2.908 6.278 -5.141 143 2HE LYS 19 1HE LYS 19 1.571 5.558 -4.251 144 1HZ LYS 19 1HZ LYS 19 2.814 8.009 -3.818 145 2HZ LYS 19 2HZ LYS 19 3.144 7.033 -2.471 146 3HZ LYS 19 3HZ LYS 19 1.544 7.339 -2.922 147 H THR 20 H THR 20 4.350 3.925 1.484 148 HA THR 20 HA THR 20 6.603 2.231 1.997 149 HB THR 20 HB THR 20 5.172 4.168 3.941 150 HG1 THR 20 HG1 THR 20 5.834 5.375 2.334 151 1HG2 THR 20 1HG2 THR 20 7.011 2.610 4.954 152 2HG2 THR 20 2HG2 THR 20 7.425 4.316 4.978 153 3HG2 THR 20 3HG2 THR 20 8.112 3.261 3.752 154 H HIS 21 H HIS 21 3.292 2.383 3.285 155 HA HIS 21 HA HIS 21 3.509 0.417 5.309 156 1HB HIS 21 1HB HIS 21 1.374 1.495 5.237 157 2HB HIS 21 2HB HIS 21 1.185 1.295 3.514 158 HD1 HIS 21 HD1 HIS 21 1.071 -0.819 6.618 159 HD2 HIS 21 HD2 HIS 21 -0.098 -0.975 2.704 160 HE1 HIS 21 HE1 HIS 21 -0.299 -2.870 6.378 161 H ILE 22 H ILE 22 2.441 -0.098 1.926 162 HA ILE 22 HA ILE 22 2.457 -2.886 1.907 163 HB ILE 22 HB ILE 22 3.171 -1.017 -0.432 164 1HG1 ILE 22 2HG1 ILE 22 0.495 -2.266 0.334 165 2HG1 ILE 22 1HG1 ILE 22 0.920 -0.639 0.802 166 1HG2 ILE 22 1HG2 ILE 22 2.214 -3.878 -0.455 167 2HG2 ILE 22 2HG2 ILE 22 3.828 -3.343 -0.887 168 3HG2 ILE 22 3HG2 ILE 22 2.469 -2.857 -1.865 169 1HD1 ILE 22 1HD ILE 22 0.683 -1.641 -2.057 170 2HD1 ILE 22 2HD ILE 22 1.197 -0.023 -1.595 171 3HD1 ILE 22 3HD ILE 22 -0.426 -0.571 -1.217 172 H LYS 23 H LYS 23 5.203 -0.747 1.582 173 HA LYS 23 HA LYS 23 7.063 -2.748 0.713 174 1HB LYS 23 1HB LYS 23 7.311 -0.289 0.381 175 2HB LYS 23 2HB LYS 23 7.649 -0.119 2.095 176 1HG LYS 23 2HG LYS 23 9.707 -1.203 1.960 177 2HG LYS 23 1HG LYS 23 9.223 -2.178 0.597 178 1HD LYS 23 2HD LYS 23 10.883 -0.526 -0.142 179 2HD LYS 23 1HD LYS 23 9.343 -0.167 -0.890 180 1HE LYS 23 2HE LYS 23 10.399 1.899 -0.081 181 2HE LYS 23 1HE LYS 23 8.931 1.605 0.834 182 1HZ LYS 23 1HZ LYS 23 10.122 1.595 2.679 183 2HZ LYS 23 2HZ LYS 23 11.534 1.896 1.780 184 3HZ LYS 23 3HZ LYS 23 11.066 0.300 2.106 185 H THR 24 H THR 24 6.469 -1.318 3.860 186 HA THR 24 HA THR 24 8.387 -2.900 5.307 187 HB THR 24 HB THR 24 7.184 -1.871 7.330 188 HG1 THR 24 HG1 THR 24 5.668 -0.748 5.225 189 1HG2 THR 24 1HG2 THR 24 8.937 -0.486 6.033 190 2HG2 THR 24 2HG2 THR 24 7.665 0.502 6.724 191 3HG2 THR 24 3HG2 THR 24 7.648 0.119 5.011 192 H LYS 25 H LYS 25 4.932 -3.218 4.767 193 HA LYS 25 HA LYS 25 4.742 -5.630 6.439 194 1HB LYS 25 1HB LYS 25 2.699 -3.870 5.045 195 2HB LYS 25 2HB LYS 25 2.228 -5.368 5.822 196 1HG LYS 25 2HG LYS 25 3.668 -3.043 7.184 197 2HG LYS 25 1HG LYS 25 1.941 -3.326 7.271 198 1HD LYS 25 2HD LYS 25 2.386 -5.579 8.329 199 2HD LYS 25 1HD LYS 25 4.104 -5.230 8.317 200 1HE LYS 25 2HE LYS 25 3.171 -4.729 10.522 201 2HE LYS 25 1HE LYS 25 3.716 -3.241 9.764 202 1HZ LYS 25 1HZ LYS 25 1.184 -3.863 10.717 203 2HZ LYS 25 2HZ LYS 25 1.050 -3.710 9.032 204 3HZ LYS 25 3HZ LYS 25 1.691 -2.437 9.952 205 H HIS 26 H HIS 26 4.182 -4.761 3.052 206 HA HIS 26 HA HIS 26 4.046 -7.698 2.432 207 1HB HIS 26 1HB HIS 26 2.949 -5.454 0.723 208 2HB HIS 26 2HB HIS 26 2.576 -7.166 0.605 209 HD1 HIS 26 HD1 HIS 26 1.528 -7.942 3.211 210 HD2 HIS 26 HD2 HIS 26 0.895 -4.135 1.883 211 HE1 HIS 26 HE1 HIS 26 -0.414 -7.075 4.469 212 H SER 27 H SER 27 6.519 -6.329 2.680 213 HA SER 27 HA SER 27 8.573 -6.066 1.630 214 1HB SER 27 2HB SER 27 8.060 -8.465 0.999 215 2HB SER 27 1HB SER 27 7.358 -7.884 -0.517 216 HG SER 27 HG SER 27 9.925 -8.218 0.109 217 H LYS 28 H LYS 28 9.705 -5.420 -0.433 218 HA LYS 28 HA LYS 28 8.291 -3.104 -1.615 219 1HB LYS 28 1HB LYS 28 10.459 -2.287 -2.307 220 2HB LYS 28 2HB LYS 28 10.642 -2.799 -0.668 221 1HG LYS 28 2HG LYS 28 11.514 -4.392 -3.109 222 2HG LYS 28 1HG LYS 28 12.551 -3.408 -2.116 223 1HD LYS 28 2HD LYS 28 11.148 -5.945 -1.164 224 2HD LYS 28 1HD LYS 28 12.811 -5.794 -1.636 225 1HE LYS 28 2HE LYS 28 12.769 -5.729 0.774 226 2HE LYS 28 1HE LYS 28 13.218 -4.136 0.205 227 1HZ LYS 28 1HZ LYS 28 10.428 -4.247 0.466 228 2HZ LYS 28 2HZ LYS 28 11.546 -3.292 1.310 229 3HZ LYS 28 3HZ LYS 28 11.133 -4.834 1.888 230 H GLU 29 H GLU 29 9.402 -2.670 -3.931 231 HA GLU 29 HA GLU 29 8.492 -4.910 -5.681 232 1HB GLU 29 1HB GLU 29 7.239 -2.756 -5.835 233 2HB GLU 29 2HB GLU 29 8.726 -1.907 -6.169 234 1HG GLU 29 2HG GLU 29 7.423 -2.293 -8.242 235 2HG GLU 29 1HG GLU 29 8.975 -3.076 -8.327 236 H LYS 30 H LYS 30 9.631 -5.189 -7.665 237 HA LYS 30 HA LYS 30 12.561 -4.610 -7.521 238 1HB LYS 30 1HB LYS 30 12.901 -6.831 -8.549 239 2HB LYS 30 2HB LYS 30 12.009 -6.960 -7.046 240 1HG LYS 30 2HG LYS 30 9.843 -6.989 -8.447 241 2HG LYS 30 1HG LYS 30 10.856 -7.061 -9.872 242 1HD LYS 30 2HD LYS 30 10.152 -9.313 -9.317 243 2HD LYS 30 1HD LYS 30 11.879 -9.183 -9.049 244 1HE LYS 30 2HE LYS 30 10.740 -10.392 -7.190 245 2HE LYS 30 1HE LYS 30 11.474 -8.917 -6.592 246 1HZ LYS 30 1HZ LYS 30 8.867 -8.353 -7.488 247 2HZ LYS 30 2HZ LYS 30 9.504 -8.236 -5.918 248 3HZ LYS 30 3HZ LYS 30 8.813 -9.694 -6.450 Start of MODEL 12 1 1H LYS 1 1H LYS 1 -10.108 10.891 -2.531 2 2H LYS 1 2H LYS 1 -9.233 9.439 -2.430 3 3H LYS 1 3H LYS 1 -8.697 10.682 -3.452 4 HA LYS 1 HA LYS 1 -7.464 11.492 -1.865 5 1HB LYS 1 2HB LYS 1 -9.608 12.790 -1.320 6 2HB LYS 1 1HB LYS 1 -10.007 11.567 -0.137 7 1HG LYS 1 2HG LYS 1 -8.946 13.568 0.910 8 2HG LYS 1 1HG LYS 1 -7.991 12.121 1.183 9 1HD LYS 1 2HD LYS 1 -6.396 12.750 -0.544 10 2HD LYS 1 1HD LYS 1 -7.433 14.045 -1.118 11 1HE LYS 1 2HE LYS 1 -6.181 13.954 1.661 12 2HE LYS 1 1HE LYS 1 -5.512 14.838 0.300 13 1HZ LYS 1 1HZ LYS 1 -7.512 15.648 2.059 14 2HZ LYS 1 2HZ LYS 1 -8.218 15.496 0.521 15 3HZ LYS 1 3HZ LYS 1 -6.862 16.492 0.738 16 H THR 2 H THR 2 -9.744 9.110 -0.642 17 HA THR 2 HA THR 2 -7.697 8.015 1.227 18 HB THR 2 HB THR 2 -9.629 6.535 2.012 19 HG1 THR 2 HG1 THR 2 -11.568 7.876 0.763 20 1HG2 THR 2 1HG2 THR 2 -9.410 8.862 3.050 21 2HG2 THR 2 2HG2 THR 2 -11.075 8.317 2.959 22 3HG2 THR 2 3HG2 THR 2 -10.467 9.484 1.794 23 H TYR 3 H TYR 3 -6.887 6.005 0.924 24 HA TYR 3 HA TYR 3 -7.443 4.595 -1.651 25 1HB TYR 3 1HB TYR 3 -4.797 4.806 -0.238 26 2HB TYR 3 2HB TYR 3 -5.078 4.150 -1.840 27 HD1 TYR 3 HD1 TYR 3 -6.457 6.040 -3.420 28 HD2 TYR 3 HD2 TYR 3 -3.881 6.871 -0.144 29 HE1 TYR 3 HE1 TYR 3 -6.075 8.295 -4.288 30 HE2 TYR 3 HE2 TYR 3 -3.485 9.132 -1.007 31 HH TYR 3 HH TYR 3 -4.996 10.223 -4.033 32 H GLN 4 H GLN 4 -7.121 2.340 -1.606 33 HA GLN 4 HA GLN 4 -7.142 1.085 1.119 34 1HB GLN 4 1HB GLN 4 -9.381 1.204 -0.316 35 2HB GLN 4 2HB GLN 4 -8.636 -0.052 -1.279 36 1HG GLN 4 2HG GLN 4 -8.981 -0.283 1.747 37 2HG GLN 4 1HG GLN 4 -10.162 -0.871 0.602 38 1HE2 GLN 4 1HE2 GLN 4 -7.401 -1.742 2.348 39 2HE2 GLN 4 2HE2 GLN 4 -7.023 -3.162 1.499 40 H CYS 5 H CYS 5 -5.895 -0.693 1.288 41 HA CYS 5 HA CYS 5 -3.718 -1.052 -0.591 42 1HB CYS 5 1HB CYS 5 -3.411 -1.093 1.810 43 2HB CYS 5 2HB CYS 5 -4.502 -2.474 1.960 44 H GLN 6 H GLN 6 -3.202 -2.851 -1.814 45 HA GLN 6 HA GLN 6 -5.465 -4.719 -2.410 46 1HB GLN 6 1HB GLN 6 -4.282 -5.020 -4.625 47 2HB GLN 6 2HB GLN 6 -4.851 -3.391 -4.331 48 1HG GLN 6 2HG GLN 6 -2.568 -2.671 -3.661 49 2HG GLN 6 1HG GLN 6 -1.990 -4.323 -3.841 50 1HE2 GLN 6 1HE2 GLN 6 -0.541 -3.991 -5.607 51 2HE2 GLN 6 2HE2 GLN 6 -1.079 -3.495 -7.134 52 H TYR 7 H TYR 7 -3.719 -5.078 -0.240 53 HA TYR 7 HA TYR 7 -2.565 -7.761 -0.863 54 1HB TYR 7 1HB TYR 7 -1.335 -5.610 0.930 55 2HB TYR 7 2HB TYR 7 -0.633 -7.189 0.610 56 HD1 TYR 7 HD1 TYR 7 -0.461 -7.739 -2.048 57 HD2 TYR 7 HD2 TYR 7 -0.547 -3.823 -0.386 58 HE1 TYR 7 HE1 TYR 7 0.571 -6.851 -4.079 59 HE2 TYR 7 HE2 TYR 7 0.492 -2.936 -2.420 60 HH TYR 7 HH TYR 7 1.154 -3.392 -4.505 61 H CYS 8 H CYS 8 -3.407 -5.446 1.644 62 HA CYS 8 HA CYS 8 -4.960 -7.542 3.129 63 1HB CYS 8 1HB CYS 8 -4.337 -6.525 5.218 64 2HB CYS 8 2HB CYS 8 -2.842 -6.770 4.334 65 H GLU 9 H GLU 9 -6.136 -5.879 4.900 66 HA GLU 9 HA GLU 9 -7.747 -4.078 3.121 67 1HB GLU 9 1HB GLU 9 -8.933 -6.098 4.216 68 2HB GLU 9 2HB GLU 9 -8.660 -5.323 5.764 69 1HG GLU 9 2HG GLU 9 -10.921 -4.759 4.874 70 2HG GLU 9 1HG GLU 9 -9.941 -3.318 5.020 71 H PHE 10 H PHE 10 -5.764 -2.877 3.593 72 HA PHE 10 HA PHE 10 -5.953 -1.202 6.063 73 1HB PHE 10 1HB PHE 10 -3.771 -2.252 5.860 74 2HB PHE 10 2HB PHE 10 -3.592 -1.744 4.184 75 HD1 PHE 10 HD1 PHE 10 -3.487 -0.664 7.705 76 HD2 PHE 10 HD2 PHE 10 -3.017 0.625 3.667 77 HE1 PHE 10 HE1 PHE 10 -2.441 1.418 8.481 78 HE2 PHE 10 HE2 PHE 10 -1.973 2.718 4.476 79 HZ PHE 10 HZ PHE 10 -1.694 3.116 6.839 80 H ARG 11 H ARG 11 -7.034 0.579 5.664 81 HA ARG 11 HA ARG 11 -6.603 1.967 3.039 82 1HB ARG 11 1HB ARG 11 -8.860 2.978 3.371 83 2HB ARG 11 2HB ARG 11 -8.932 1.253 3.094 84 1HG ARG 11 2HG ARG 11 -9.228 0.896 5.552 85 2HG ARG 11 1HG ARG 11 -9.202 2.633 5.804 86 1HD ARG 11 2HD ARG 11 -11.223 1.154 4.059 87 2HD ARG 11 1HD ARG 11 -11.545 1.824 5.653 88 HE ARG 11 HE ARG 11 -11.017 4.092 4.650 89 1HH1 ARG 11 2HH2 ARG 11 -10.041 3.041 1.993 90 2HH1 ARG 11 1HH2 ARG 11 -11.426 3.296 0.991 91 1HH2 ARG 11 1HH1 ARG 11 -13.588 3.721 3.706 92 2HH2 ARG 11 2HH1 ARG 11 -13.481 3.689 1.975 93 H SER 12 H SER 12 -5.902 3.907 3.136 94 HA SER 12 HA SER 12 -6.008 5.497 5.645 95 1HB SER 12 2HB SER 12 -3.516 4.535 4.160 96 2HB SER 12 1HB SER 12 -3.339 5.778 5.339 97 HG SER 12 HG SER 12 -3.646 4.385 6.860 98 H ALA 13 H ALA 13 -5.130 7.782 5.133 99 HA ALA 13 HA ALA 13 -6.076 8.546 2.380 100 1HB ALA 13 1HB ALA 13 -6.754 10.707 3.431 101 2HB ALA 13 2HB ALA 13 -6.132 10.157 4.981 102 3HB ALA 13 3HB ALA 13 -7.525 9.366 4.258 103 H ASP 14 H ASP 14 -3.573 7.623 2.755 104 HA ASP 14 HA ASP 14 -1.988 10.063 2.203 105 1HB ASP 14 1HB ASP 14 -1.758 8.781 4.653 106 2HB ASP 14 2HB ASP 14 -0.607 7.851 3.723 107 H SER 15 H SER 15 0.059 9.590 1.196 108 HA SER 15 HA SER 15 -0.036 7.285 -0.713 109 1HB SER 15 2HB SER 15 -0.286 9.253 -2.100 110 2HB SER 15 1HB SER 15 0.705 10.250 -1.040 111 HG SER 15 HG SER 15 2.506 9.127 -1.729 112 H SER 16 H SER 16 1.851 9.555 1.050 113 HA SER 16 HA SER 16 4.027 7.556 1.541 114 1HB SER 16 2HB SER 16 4.232 10.653 1.442 115 2HB SER 16 1HB SER 16 5.588 9.516 1.521 116 HG SER 16 HG SER 16 5.432 9.318 -0.548 117 H ASN 17 H ASN 17 2.532 8.159 4.816 118 HA ASN 17 HA ASN 17 4.299 6.482 3.179 119 1HB ASN 17 1HB ASN 17 3.516 6.537 6.072 120 2HB ASN 17 2HB ASN 17 4.533 5.270 5.430 121 1HD2 ASN 17 1HD2 ASN 17 4.707 8.208 6.937 122 2HD2 ASN 17 2HD2 ASN 17 6.220 8.730 6.374 123 H LEU 18 H LEU 18 1.868 6.239 1.974 124 HA LEU 18 HA LEU 18 0.610 3.743 3.013 125 1HB LEU 18 1HB LEU 18 -0.923 5.293 1.948 126 2HB LEU 18 2HB LEU 18 0.080 5.407 0.503 127 HG LEU 18 HG LEU 18 -0.407 3.029 -0.048 128 1HD1 LEU 18 1HD1 LEU 18 -0.712 2.121 2.294 129 2HD1 LEU 18 2HD1 LEU 18 -2.065 1.713 1.261 130 3HD1 LEU 18 3HD1 LEU 18 -2.214 3.023 2.419 131 1HD2 LEU 18 1HD2 LEU 18 -1.964 4.771 -0.869 132 2HD2 LEU 18 2HD2 LEU 18 -2.905 4.618 0.607 133 3HD2 LEU 18 3HD2 LEU 18 -2.828 3.281 -0.535 134 H LYS 19 H LYS 19 2.650 4.865 0.357 135 HA LYS 19 HA LYS 19 2.987 2.304 -0.924 136 1HB LYS 19 1HB LYS 19 3.585 4.611 -1.942 137 2HB LYS 19 2HB LYS 19 4.898 4.713 -0.801 138 1HG LYS 19 2HG LYS 19 5.774 3.942 -2.959 139 2HG LYS 19 1HG LYS 19 5.940 2.667 -1.776 140 1HD LYS 19 2HD LYS 19 5.112 1.774 -3.927 141 2HD LYS 19 1HD LYS 19 3.915 1.532 -2.678 142 1HE LYS 19 2HE LYS 19 2.640 3.512 -3.490 143 2HE LYS 19 1HE LYS 19 3.885 3.836 -4.688 144 1HZ LYS 19 1HZ LYS 19 3.106 1.174 -4.942 145 2HZ LYS 19 2HZ LYS 19 2.871 2.453 -6.036 146 3HZ LYS 19 3HZ LYS 19 1.696 2.119 -4.856 147 H THR 20 H THR 20 4.588 4.095 1.608 148 HA THR 20 HA THR 20 6.704 2.226 2.097 149 HB THR 20 HB THR 20 5.286 4.120 4.050 150 HG1 THR 20 HG1 THR 20 6.461 5.585 3.081 151 1HG2 THR 20 1HG2 THR 20 8.154 2.996 4.069 152 2HG2 THR 20 2HG2 THR 20 6.896 2.437 5.159 153 3HG2 THR 20 3HG2 THR 20 7.469 4.090 5.261 154 H HIS 21 H HIS 21 3.340 2.468 3.236 155 HA HIS 21 HA HIS 21 3.405 0.361 5.151 156 1HB HIS 21 1HB HIS 21 1.339 1.629 5.065 157 2HB HIS 21 2HB HIS 21 1.140 1.427 3.349 158 HD1 HIS 21 HD1 HIS 21 0.679 -0.502 6.494 159 HD2 HIS 21 HD2 HIS 21 -0.069 -0.924 2.503 160 HE1 HIS 21 HE1 HIS 21 -0.756 -2.502 6.270 161 H ILE 22 H ILE 22 2.389 0.215 1.726 162 HA ILE 22 HA ILE 22 2.172 -2.480 1.287 163 HB ILE 22 HB ILE 22 3.404 -0.350 -0.535 164 1HG1 ILE 22 2HG1 ILE 22 0.634 -1.621 -0.431 165 2HG1 ILE 22 1HG1 ILE 22 1.027 -0.065 0.254 166 1HG2 ILE 22 1HG2 ILE 22 3.004 -1.920 -2.420 167 2HG2 ILE 22 2HG2 ILE 22 2.521 -3.166 -1.284 168 3HG2 ILE 22 3HG2 ILE 22 4.173 -2.581 -1.307 169 1HD1 ILE 22 1HD ILE 22 -0.007 0.214 -1.963 170 2HD1 ILE 22 2HD ILE 22 1.251 -0.744 -2.710 171 3HD1 ILE 22 3HD ILE 22 1.642 0.807 -1.979 172 H LYS 23 H LYS 23 5.260 -0.738 1.166 173 HA LYS 23 HA LYS 23 6.878 -3.042 0.692 174 1HB LYS 23 1HB LYS 23 7.425 -0.294 1.804 175 2HB LYS 23 2HB LYS 23 8.694 -1.503 1.815 176 1HG LYS 23 2HG LYS 23 8.575 -1.757 -0.600 177 2HG LYS 23 1HG LYS 23 7.148 -0.742 -0.690 178 1HD LYS 23 2HD LYS 23 9.316 0.417 -1.335 179 2HD LYS 23 1HD LYS 23 8.377 1.235 -0.102 180 1HE LYS 23 2HE LYS 23 10.849 1.149 0.385 181 2HE LYS 23 1HE LYS 23 9.873 0.451 1.663 182 1HZ LYS 23 1HZ LYS 23 11.936 -0.728 0.238 183 2HZ LYS 23 2HZ LYS 23 10.517 -1.554 -0.200 184 3HZ LYS 23 3HZ LYS 23 10.956 -1.428 1.434 185 H THR 24 H THR 24 6.632 -1.246 3.686 186 HA THR 24 HA THR 24 8.026 -2.920 5.404 187 HB THR 24 HB THR 24 5.740 -1.008 6.105 188 HG1 THR 24 HG1 THR 24 7.122 0.078 4.951 189 1HG2 THR 24 1HG2 THR 24 6.747 -2.378 8.064 190 2HG2 THR 24 2HG2 THR 24 7.087 -0.661 8.167 191 3HG2 THR 24 3HG2 THR 24 8.325 -1.765 7.594 192 H LYS 25 H LYS 25 4.621 -3.047 4.668 193 HA LYS 25 HA LYS 25 4.138 -5.210 6.613 194 1HB LYS 25 1HB LYS 25 2.256 -3.666 4.788 195 2HB LYS 25 2HB LYS 25 1.739 -4.790 6.033 196 1HG LYS 25 2HG LYS 25 3.227 -2.147 6.423 197 2HG LYS 25 1HG LYS 25 1.567 -2.487 6.852 198 1HD LYS 25 2HD LYS 25 2.376 -4.224 8.495 199 2HD LYS 25 1HD LYS 25 4.017 -3.692 8.172 200 1HE LYS 25 2HE LYS 25 3.170 -2.538 10.163 201 2HE LYS 25 1HE LYS 25 3.391 -1.370 8.871 202 1HZ LYS 25 1HZ LYS 25 0.803 -2.438 8.695 203 2HZ LYS 25 2HZ LYS 25 1.274 -0.841 9.016 204 3HZ LYS 25 3HZ LYS 25 1.080 -1.941 10.294 205 H HIS 26 H HIS 26 4.059 -4.622 3.150 206 HA HIS 26 HA HIS 26 3.680 -7.563 2.716 207 1HB HIS 26 1HB HIS 26 2.962 -5.327 0.745 208 2HB HIS 26 2HB HIS 26 2.573 -7.021 0.629 209 HD1 HIS 26 HD1 HIS 26 1.174 -7.807 2.956 210 HD2 HIS 26 HD2 HIS 26 0.943 -3.878 1.870 211 HE1 HIS 26 HE1 HIS 26 -0.819 -6.891 4.082 212 H SER 27 H SER 27 5.959 -7.468 3.223 213 HA SER 27 HA SER 27 7.771 -6.612 1.029 214 1HB SER 27 2HB SER 27 9.587 -7.358 2.645 215 2HB SER 27 1HB SER 27 8.488 -6.232 3.447 216 HG SER 27 HG SER 27 7.463 -8.697 3.583 217 H LYS 28 H LYS 28 9.617 -8.644 0.981 218 HA LYS 28 HA LYS 28 8.002 -11.008 0.094 219 1HB LYS 28 1HB LYS 28 10.682 -10.144 -1.030 220 2HB LYS 28 2HB LYS 28 9.608 -11.384 -1.657 221 1HG LYS 28 2HG LYS 28 7.869 -9.639 -2.116 222 2HG LYS 28 1HG LYS 28 8.980 -8.401 -1.538 223 1HD LYS 28 2HD LYS 28 10.640 -9.101 -3.279 224 2HD LYS 28 1HD LYS 28 9.478 -10.260 -3.895 225 1HE LYS 28 2HE LYS 28 7.867 -8.370 -4.314 226 2HE LYS 28 1HE LYS 28 9.108 -7.241 -3.781 227 1HZ LYS 28 1HZ LYS 28 8.764 -8.363 -6.302 228 2HZ LYS 28 2HZ LYS 28 10.231 -8.954 -5.685 229 3HZ LYS 28 3HZ LYS 28 9.967 -7.280 -5.786 230 H GLU 29 H GLU 29 11.199 -10.159 1.113 231 HA GLU 29 HA GLU 29 11.458 -12.784 2.533 232 1HB GLU 29 1HB GLU 29 12.887 -12.630 0.519 233 2HB GLU 29 2HB GLU 29 13.601 -11.148 1.114 234 1HG GLU 29 2HG GLU 29 15.034 -13.205 1.466 235 2HG GLU 29 1HG GLU 29 14.729 -12.346 2.951 236 H LYS 30 H LYS 30 10.374 -11.336 4.217 237 HA LYS 30 HA LYS 30 12.541 -10.183 5.938 238 1HB LYS 30 1HB LYS 30 10.946 -8.423 4.858 239 2HB LYS 30 2HB LYS 30 9.700 -9.078 5.913 240 1HG LYS 30 2HG LYS 30 11.231 -8.690 7.890 241 2HG LYS 30 1HG LYS 30 12.435 -8.027 6.812 242 1HD LYS 30 2HD LYS 30 11.380 -6.133 7.753 243 2HD LYS 30 1HD LYS 30 10.697 -6.266 6.147 244 1HE LYS 30 2HE LYS 30 8.649 -7.218 6.980 245 2HE LYS 30 1HE LYS 30 9.331 -7.468 8.585 246 1HZ LYS 30 1HZ LYS 30 8.024 -5.224 7.599 247 2HZ LYS 30 2HZ LYS 30 9.629 -4.774 7.894 248 3HZ LYS 30 3HZ LYS 30 8.697 -5.454 9.140 Start of MODEL 13 1 1H LYS 1 1H LYS 1 -11.434 8.891 0.530 2 2H LYS 1 2H LYS 1 -12.183 10.414 0.491 3 3H LYS 1 3H LYS 1 -12.799 9.192 1.495 4 HA LYS 1 HA LYS 1 -10.890 11.133 2.095 5 1HB LYS 1 2HB LYS 1 -12.715 10.194 3.588 6 2HB LYS 1 1HB LYS 1 -11.816 8.698 3.701 7 1HG LYS 1 2HG LYS 1 -9.878 9.973 4.700 8 2HG LYS 1 1HG LYS 1 -10.840 11.438 4.640 9 1HD LYS 1 2HD LYS 1 -12.569 10.311 6.100 10 2HD LYS 1 1HD LYS 1 -11.520 8.908 6.209 11 1HE LYS 1 2HE LYS 1 -10.776 11.713 7.144 12 2HE LYS 1 1HE LYS 1 -11.248 10.385 8.190 13 1HZ LYS 1 1HZ LYS 1 -8.722 10.971 7.179 14 2HZ LYS 1 2HZ LYS 1 -9.203 9.485 6.514 15 3HZ LYS 1 3HZ LYS 1 -9.181 9.695 8.201 16 H THR 2 H THR 2 -10.638 7.602 2.211 17 HA THR 2 HA THR 2 -7.655 7.809 2.112 18 HB THR 2 HB THR 2 -7.670 5.535 3.282 19 HG1 THR 2 HG1 THR 2 -10.215 5.604 4.041 20 1HG2 THR 2 1HG2 THR 2 -7.705 7.585 4.791 21 2HG2 THR 2 2HG2 THR 2 -8.590 6.240 5.468 22 3HG2 THR 2 3HG2 THR 2 -9.462 7.572 4.725 23 H TYR 3 H TYR 3 -6.673 5.758 1.420 24 HA TYR 3 HA TYR 3 -7.769 4.743 -1.162 25 1HB TYR 3 1HB TYR 3 -4.881 5.078 -0.217 26 2HB TYR 3 2HB TYR 3 -5.367 4.555 -1.818 27 HD1 TYR 3 HD1 TYR 3 -7.370 6.360 -2.747 28 HD2 TYR 3 HD2 TYR 3 -4.081 7.277 -0.183 29 HE1 TYR 3 HE1 TYR 3 -7.490 8.700 -3.419 30 HE2 TYR 3 HE2 TYR 3 -4.205 9.615 -0.872 31 HH TYR 3 HH TYR 3 -5.196 11.110 -2.187 32 H GLN 4 H GLN 4 -7.430 2.434 -1.449 33 HA GLN 4 HA GLN 4 -6.857 0.997 1.115 34 1HB GLN 4 1HB GLN 4 -9.196 0.856 0.630 35 2HB GLN 4 2HB GLN 4 -8.903 0.437 -1.041 36 1HG GLN 4 2HG GLN 4 -9.592 -1.524 0.357 37 2HG GLN 4 1HG GLN 4 -8.039 -1.768 -0.408 38 1HE2 GLN 4 2HE2 GLN 4 -6.518 -2.574 0.938 39 2HE2 GLN 4 1HE2 GLN 4 -6.479 -2.399 2.623 40 H CYS 5 H CYS 5 -5.473 -0.471 1.188 41 HA CYS 5 HA CYS 5 -3.433 -1.013 -0.620 42 1HB CYS 5 1HB CYS 5 -3.316 -1.483 1.778 43 2HB CYS 5 2HB CYS 5 -4.539 -2.746 1.632 44 H GLN 6 H GLN 6 -2.830 -3.046 -1.633 45 HA GLN 6 HA GLN 6 -5.156 -4.397 -2.969 46 1HB GLN 6 1HB GLN 6 -2.354 -3.880 -4.060 47 2HB GLN 6 2HB GLN 6 -3.670 -4.626 -4.940 48 1HG GLN 6 2HG GLN 6 -3.778 -1.775 -3.836 49 2HG GLN 6 1HG GLN 6 -3.359 -2.175 -5.493 50 1HE2 GLN 6 2HE2 GLN 6 -6.002 -1.234 -3.608 51 2HE2 GLN 6 1HE2 GLN 6 -7.218 -1.850 -4.608 52 H TYR 7 H TYR 7 -3.530 -4.991 -0.509 53 HA TYR 7 HA TYR 7 -2.832 -7.828 -1.161 54 1HB TYR 7 1HB TYR 7 -1.392 -5.971 0.774 55 2HB TYR 7 2HB TYR 7 -0.952 -7.644 0.469 56 HD1 TYR 7 HD1 TYR 7 -0.651 -8.185 -2.171 57 HD2 TYR 7 HD2 TYR 7 -0.187 -4.335 -0.411 58 HE1 TYR 7 HE1 TYR 7 0.709 -7.472 -4.075 59 HE2 TYR 7 HE2 TYR 7 1.191 -3.626 -2.311 60 HH TYR 7 HH TYR 7 1.537 -4.218 -4.640 61 H CYS 8 H CYS 8 -3.337 -5.630 1.545 62 HA CYS 8 HA CYS 8 -5.176 -7.602 2.856 63 1HB CYS 8 1HB CYS 8 -4.414 -6.781 4.985 64 2HB CYS 8 2HB CYS 8 -2.990 -7.257 4.064 65 H GLU 9 H GLU 9 -6.006 -5.850 4.861 66 HA GLU 9 HA GLU 9 -7.581 -3.878 3.278 67 1HB GLU 9 1HB GLU 9 -8.903 -5.738 4.336 68 2HB GLU 9 2HB GLU 9 -8.309 -5.258 5.908 69 1HG GLU 9 2HG GLU 9 -10.579 -4.342 5.508 70 2HG GLU 9 1HG GLU 9 -9.446 -3.034 5.675 71 H PHE 10 H PHE 10 -5.449 -2.789 3.635 72 HA PHE 10 HA PHE 10 -5.396 -1.165 6.157 73 1HB PHE 10 1HB PHE 10 -3.202 -2.203 5.651 74 2HB PHE 10 2HB PHE 10 -3.256 -1.629 3.993 75 HD1 PHE 10 HD1 PHE 10 -2.572 -0.674 7.488 76 HD2 PHE 10 HD2 PHE 10 -2.994 0.796 3.516 77 HE1 PHE 10 HE1 PHE 10 -1.512 1.439 8.149 78 HE2 PHE 10 HE2 PHE 10 -1.932 2.933 4.201 79 HZ PHE 10 HZ PHE 10 -1.204 3.253 6.474 80 H ARG 11 H ARG 11 -6.094 0.887 5.960 81 HA ARG 11 HA ARG 11 -6.157 2.141 3.270 82 1HB ARG 11 1HB ARG 11 -8.470 3.058 3.900 83 2HB ARG 11 2HB ARG 11 -8.387 1.339 3.580 84 1HG ARG 11 2HG ARG 11 -8.187 0.962 6.108 85 2HG ARG 11 1HG ARG 11 -8.478 2.678 6.319 86 1HD ARG 11 2HD ARG 11 -10.561 1.301 6.564 87 2HD ARG 11 1HD ARG 11 -10.692 2.475 5.259 88 HE ARG 11 HE ARG 11 -9.952 -0.381 4.719 89 1HH1 ARG 11 2HH2 ARG 11 -10.116 1.724 2.539 90 2HH1 ARG 11 1HH2 ARG 11 -11.695 1.413 1.894 91 1HH2 ARG 11 2HH1 ARG 11 -12.682 -0.482 4.662 92 2HH2 ARG 11 1HH1 ARG 11 -13.187 0.136 3.124 93 H SER 12 H SER 12 -5.448 4.130 3.206 94 HA SER 12 HA SER 12 -5.358 5.824 5.664 95 1HB SER 12 2HB SER 12 -2.947 5.023 3.978 96 2HB SER 12 1HB SER 12 -2.770 6.134 5.272 97 HG SER 12 HG SER 12 -2.933 4.642 6.668 98 H ALA 13 H ALA 13 -4.934 8.083 5.237 99 HA ALA 13 HA ALA 13 -5.669 8.913 2.441 100 1HB ALA 13 1HB ALA 13 -6.275 10.299 5.096 101 2HB ALA 13 2HB ALA 13 -7.451 9.451 4.112 102 3HB ALA 13 3HB ALA 13 -6.708 10.914 3.511 103 H ASP 14 H ASP 14 -3.053 8.378 3.147 104 HA ASP 14 HA ASP 14 -1.847 11.127 3.118 105 1HB ASP 14 1HB ASP 14 -1.521 9.887 5.278 106 2HB ASP 14 2HB ASP 14 -0.742 8.613 4.376 107 H SER 15 H SER 15 -1.514 7.790 2.114 108 HA SER 15 HA SER 15 0.206 6.931 0.611 109 1HB SER 15 2HB SER 15 -2.192 7.963 -0.888 110 2HB SER 15 1HB SER 15 -1.098 6.684 -1.444 111 HG SER 15 HG SER 15 -2.205 5.438 -0.189 112 H SER 16 H SER 16 2.216 9.503 -0.973 113 HA SER 16 HA SER 16 3.571 7.836 -0.041 114 1HB SER 16 2HB SER 16 3.963 9.090 2.252 115 2HB SER 16 1HB SER 16 4.154 9.914 0.705 116 HG SER 16 HG SER 16 1.567 9.878 1.518 117 H ASN 17 H ASN 17 1.834 8.163 3.118 118 HA ASN 17 HA ASN 17 2.789 5.996 4.403 119 1HB ASN 17 1HB ASN 17 -0.141 6.762 4.296 120 2HB ASN 17 2HB ASN 17 0.475 5.576 5.419 121 1HD2 ASN 17 2HD2 ASN 17 3.029 7.696 5.176 122 2HD2 ASN 17 1HD2 ASN 17 2.629 8.732 6.457 123 H LEU 18 H LEU 18 -0.070 5.446 2.302 124 HA LEU 18 HA LEU 18 -0.243 2.698 2.622 125 1HB LEU 18 1HB LEU 18 -1.852 4.126 1.335 126 2HB LEU 18 2HB LEU 18 -0.651 4.309 0.049 127 HG LEU 18 HG LEU 18 -0.816 1.888 -0.467 128 1HD1 LEU 18 1HD1 LEU 18 -1.424 1.069 1.829 129 2HD1 LEU 18 2HD1 LEU 18 -2.562 0.517 0.618 130 3HD1 LEU 18 3HD1 LEU 18 -2.987 1.859 1.665 131 1HD2 LEU 18 1HD2 LEU 18 -2.346 3.508 -1.591 132 2HD2 LEU 18 2HD2 LEU 18 -3.528 3.286 -0.307 133 3HD2 LEU 18 3HD2 LEU 18 -3.128 1.949 -1.372 134 H LYS 19 H LYS 19 2.056 4.326 0.568 135 HA LYS 19 HA LYS 19 3.007 1.884 -0.713 136 1HB LYS 19 1HB LYS 19 4.358 4.629 -0.409 137 2HB LYS 19 2HB LYS 19 4.800 3.389 -1.571 138 1HG LYS 19 2HG LYS 19 2.536 3.586 -2.635 139 2HG LYS 19 1HG LYS 19 2.088 4.809 -1.467 140 1HD LYS 19 2HD LYS 19 2.719 5.939 -3.507 141 2HD LYS 19 1HD LYS 19 3.927 6.278 -2.289 142 1HE LYS 19 2HE LYS 19 4.986 5.762 -4.470 143 2HE LYS 19 1HE LYS 19 5.432 4.543 -3.294 144 1HZ LYS 19 1HZ LYS 19 4.181 4.200 -5.748 145 2HZ LYS 19 2HZ LYS 19 3.053 3.755 -4.560 146 3HZ LYS 19 3HZ LYS 19 4.578 3.013 -4.602 147 H THR 20 H THR 20 4.061 3.985 1.908 148 HA THR 20 HA THR 20 6.380 2.528 2.684 149 HB THR 20 HB THR 20 4.429 3.878 4.683 150 HG1 THR 20 HG1 THR 20 5.760 4.841 2.562 151 1HG2 THR 20 1HG2 THR 20 6.542 4.342 5.908 152 2HG2 THR 20 2HG2 THR 20 7.495 3.640 4.613 153 3HG2 THR 20 3HG2 THR 20 6.482 2.615 5.618 154 H HIS 21 H HIS 21 3.025 2.149 3.636 155 HA HIS 21 HA HIS 21 3.137 0.005 5.415 156 1HB HIS 21 1HB HIS 21 1.023 1.128 5.044 157 2HB HIS 21 2HB HIS 21 1.098 0.930 3.311 158 HD1 HIS 21 HD1 HIS 21 0.390 -1.061 6.368 159 HD2 HIS 21 HD2 HIS 21 0.089 -1.425 2.311 160 HE1 HIS 21 HE1 HIS 21 -0.908 -3.122 5.951 161 H ILE 22 H ILE 22 2.582 -0.286 1.889 162 HA ILE 22 HA ILE 22 2.870 -3.033 1.613 163 HB ILE 22 HB ILE 22 3.838 -0.830 -0.303 164 1HG1 ILE 22 2HG1 ILE 22 1.268 -2.461 -0.332 165 2HG1 ILE 22 1HG1 ILE 22 1.364 -0.913 0.462 166 1HG2 ILE 22 1HG2 ILE 22 3.264 -3.770 -0.878 167 2HG2 ILE 22 2HG2 ILE 22 4.861 -3.051 -0.866 168 3HG2 ILE 22 3HG2 ILE 22 3.698 -2.558 -2.072 169 1HD1 ILE 22 1HD ILE 22 2.031 0.158 -1.671 170 2HD1 ILE 22 2HD ILE 22 0.482 -0.655 -1.822 171 3HD1 ILE 22 3HD ILE 22 1.929 -1.386 -2.497 172 H LYS 23 H LYS 23 5.469 -0.658 1.794 173 HA LYS 23 HA LYS 23 7.618 -2.498 1.378 174 1HB LYS 23 1HB LYS 23 8.605 -0.429 1.195 175 2HB LYS 23 2HB LYS 23 7.236 0.344 1.947 176 1HG LYS 23 2HG LYS 23 8.177 -0.059 4.158 177 2HG LYS 23 1HG LYS 23 9.570 -0.888 3.473 178 1HD LYS 23 2HD LYS 23 10.204 1.211 2.281 179 2HD LYS 23 1HD LYS 23 8.795 2.022 2.932 180 1HE LYS 23 2HE LYS 23 11.032 0.832 4.644 181 2HE LYS 23 1HE LYS 23 10.895 2.530 4.219 182 1HZ LYS 23 1HZ LYS 23 9.575 2.808 5.928 183 2HZ LYS 23 2HZ LYS 23 9.655 1.156 6.304 184 3HZ LYS 23 3HZ LYS 23 8.441 1.732 5.264 185 H THR 24 H THR 24 6.206 -1.320 4.406 186 HA THR 24 HA THR 24 7.848 -3.218 5.992 187 HB THR 24 HB THR 24 6.656 -2.018 7.991 188 HG1 THR 24 HG1 THR 24 6.025 0.077 6.417 189 1HG2 THR 24 1HG2 THR 24 8.950 -1.260 7.183 190 2HG2 THR 24 2HG2 THR 24 7.951 0.042 7.809 191 3HG2 THR 24 3HG2 THR 24 8.134 -0.164 6.084 192 H LYS 25 H LYS 25 5.144 -3.700 4.349 193 HA LYS 25 HA LYS 25 4.048 -5.606 6.376 194 1HB LYS 25 1HB LYS 25 2.472 -3.770 4.507 195 2HB LYS 25 2HB LYS 25 1.749 -5.110 5.375 196 1HG LYS 25 2HG LYS 25 3.340 -2.967 6.837 197 2HG LYS 25 1HG LYS 25 1.634 -2.785 6.536 198 1HD LYS 25 2HD LYS 25 1.151 -4.896 7.730 199 2HD LYS 25 1HD LYS 25 2.859 -5.135 8.044 200 1HE LYS 25 2HE LYS 25 1.309 -2.687 8.976 201 2HE LYS 25 1HE LYS 25 1.607 -4.099 9.979 202 1HZ LYS 25 1HZ LYS 25 3.298 -1.931 9.478 203 2HZ LYS 25 2HZ LYS 25 4.044 -3.332 8.868 204 3HZ LYS 25 3HZ LYS 25 3.551 -3.271 10.491 205 H HIS 26 H HIS 26 4.316 -4.811 2.976 206 HA HIS 26 HA HIS 26 4.166 -7.737 2.323 207 1HB HIS 26 1HB HIS 26 3.307 -5.441 0.505 208 2HB HIS 26 2HB HIS 26 3.012 -7.155 0.267 209 HD1 HIS 26 HD1 HIS 26 1.606 -8.102 2.611 210 HD2 HIS 26 HD2 HIS 26 1.086 -4.219 1.460 211 HE1 HIS 26 HE1 HIS 26 -0.509 -7.346 3.644 212 H SER 27 H SER 27 6.441 -6.943 3.055 213 HA SER 27 HA SER 27 8.374 -5.590 1.763 214 1HB SER 27 2HB SER 27 8.683 -7.010 3.809 215 2HB SER 27 1HB SER 27 8.736 -8.449 2.787 216 HG SER 27 HG SER 27 10.339 -6.537 1.771 217 H LYS 28 H LYS 28 7.697 -5.540 -0.514 218 HA LYS 28 HA LYS 28 8.949 -7.737 -2.125 219 1HB LYS 28 1HB LYS 28 6.475 -6.047 -2.715 220 2HB LYS 28 2HB LYS 28 7.251 -7.071 -3.911 221 1HG LYS 28 2HG LYS 28 6.886 -9.056 -2.525 222 2HG LYS 28 1HG LYS 28 6.186 -8.105 -1.237 223 1HD LYS 28 2HD LYS 28 4.381 -7.359 -2.845 224 2HD LYS 28 1HD LYS 28 5.068 -8.426 -4.057 225 1HE LYS 28 2HE LYS 28 3.998 -9.307 -1.335 226 2HE LYS 28 1HE LYS 28 3.197 -9.553 -2.880 227 1HZ LYS 28 1HZ LYS 28 5.800 -10.540 -3.094 228 2HZ LYS 28 2HZ LYS 28 4.336 -11.394 -3.148 229 3HZ LYS 28 3HZ LYS 28 5.121 -11.152 -1.663 230 H GLU 29 H GLU 29 10.781 -6.353 -1.596 231 HA GLU 29 HA GLU 29 12.507 -4.964 -2.303 232 1HB GLU 29 1HB GLU 29 10.868 -4.474 -4.862 233 2HB GLU 29 2HB GLU 29 12.596 -4.341 -4.673 234 1HG GLU 29 2HG GLU 29 10.986 -6.931 -4.538 235 2HG GLU 29 1HG GLU 29 12.091 -6.450 -5.810 236 H LYS 30 H LYS 30 12.598 -2.646 -3.577 237 HA LYS 30 HA LYS 30 11.828 -0.390 -3.762 238 1HB LYS 30 1HB LYS 30 10.099 -0.941 -1.272 239 2HB LYS 30 2HB LYS 30 10.219 0.574 -2.113 240 1HG LYS 30 2HG LYS 30 9.260 -0.282 -4.150 241 2HG LYS 30 1HG LYS 30 9.251 -1.924 -3.567 242 1HD LYS 30 2HD LYS 30 7.655 0.360 -2.314 243 2HD LYS 30 1HD LYS 30 6.997 -0.794 -3.454 244 1HE LYS 30 2HE LYS 30 8.159 -1.549 -0.728 245 2HE LYS 30 1HE LYS 30 6.452 -1.415 -1.103 246 1HZ LYS 30 1HZ LYS 30 7.606 -3.062 -3.028 247 2HZ LYS 30 2HZ LYS 30 6.505 -3.491 -1.809 248 3HZ LYS 30 3HZ LYS 30 8.179 -3.576 -1.522 Start of MODEL 14 1 1H LYS 1 1H LYS 1 -10.503 9.990 -1.204 2 2H LYS 1 2H LYS 1 -10.442 11.560 -1.845 3 3H LYS 1 3H LYS 1 -11.644 11.149 -0.717 4 HA LYS 1 HA LYS 1 -9.096 12.196 -0.238 5 1HB LYS 1 2HB LYS 1 -11.309 12.653 0.977 6 2HB LYS 1 1HB LYS 1 -11.116 11.105 1.770 7 1HG LYS 1 2HG LYS 1 -8.789 11.969 2.568 8 2HG LYS 1 1HG LYS 1 -9.246 13.525 1.923 9 1HD LYS 1 2HD LYS 1 -10.057 13.927 4.014 10 2HD LYS 1 1HD LYS 1 -11.443 12.996 3.498 11 1HE LYS 1 2HE LYS 1 -9.008 11.870 4.957 12 2HE LYS 1 1HE LYS 1 -10.585 12.161 5.670 13 1HZ LYS 1 1HZ LYS 1 -9.689 9.904 4.307 14 2HZ LYS 1 2HZ LYS 1 -10.961 10.574 3.412 15 3HZ LYS 1 3HZ LYS 1 -11.196 10.173 5.041 16 H THR 2 H THR 2 -10.507 9.044 0.341 17 HA THR 2 HA THR 2 -8.020 8.094 1.642 18 HB THR 2 HB THR 2 -9.901 7.428 2.902 19 HG1 THR 2 HG1 THR 2 -9.052 5.540 2.948 20 1HG2 THR 2 1HG2 THR 2 -11.159 6.332 0.309 21 2HG2 THR 2 2HG2 THR 2 -11.718 7.774 1.128 22 3HG2 THR 2 3HG2 THR 2 -11.866 6.213 1.914 23 H TYR 3 H TYR 3 -7.151 6.229 1.196 24 HA TYR 3 HA TYR 3 -7.143 5.194 -1.590 25 1HB TYR 3 1HB TYR 3 -4.792 5.501 0.291 26 2HB TYR 3 2HB TYR 3 -4.708 5.164 -1.431 27 HD1 TYR 3 HD1 TYR 3 -6.069 7.143 -2.870 28 HD2 TYR 3 HD2 TYR 3 -4.322 7.625 0.979 29 HE1 TYR 3 HE1 TYR 3 -5.978 9.571 -3.205 30 HE2 TYR 3 HE2 TYR 3 -4.223 10.050 0.640 31 HH TYR 3 HH TYR 3 -4.770 11.741 -0.660 32 H GLN 4 H GLN 4 -6.673 2.914 -1.681 33 HA GLN 4 HA GLN 4 -6.951 1.457 0.939 34 1HB GLN 4 1HB GLN 4 -8.917 1.585 -0.854 35 2HB GLN 4 2HB GLN 4 -7.989 0.354 -1.676 36 1HG GLN 4 2HG GLN 4 -8.745 0.058 1.246 37 2HG GLN 4 1HG GLN 4 -9.859 -0.394 -0.018 38 1HE2 GLN 4 2HE2 GLN 4 -7.382 -1.564 1.951 39 2HE2 GLN 4 1HE2 GLN 4 -7.015 -2.976 1.098 40 H CYS 5 H CYS 5 -6.028 -0.705 0.883 41 HA CYS 5 HA CYS 5 -3.429 -0.795 -0.553 42 1HB CYS 5 1HB CYS 5 -3.423 -1.155 1.813 43 2HB CYS 5 2HB CYS 5 -4.619 -2.451 1.694 44 H GLN 6 H GLN 6 -2.784 -3.229 -1.131 45 HA GLN 6 HA GLN 6 -5.001 -4.401 -2.774 46 1HB GLN 6 1HB GLN 6 -3.295 -3.250 -4.147 47 2HB GLN 6 2HB GLN 6 -2.030 -4.222 -3.425 48 1HG GLN 6 2HG GLN 6 -2.969 -6.279 -4.415 49 2HG GLN 6 1HG GLN 6 -4.375 -5.400 -5.003 50 1HE2 GLN 6 1HE2 GLN 6 -4.201 -5.026 -7.178 51 2HE2 GLN 6 2HE2 GLN 6 -2.764 -4.690 -8.018 52 H TYR 7 H TYR 7 -2.578 -5.002 -0.456 53 HA TYR 7 HA TYR 7 -2.704 -7.952 -0.815 54 1HB TYR 7 1HB TYR 7 -1.073 -6.220 1.061 55 2HB TYR 7 2HB TYR 7 -0.847 -7.948 0.836 56 HD1 TYR 7 HD1 TYR 7 -0.274 -8.756 -1.580 57 HD2 TYR 7 HD2 TYR 7 -0.019 -4.672 -0.384 58 HE1 TYR 7 HE1 TYR 7 1.163 -8.273 -3.505 59 HE2 TYR 7 HE2 TYR 7 1.415 -4.200 -2.307 60 HH TYR 7 HH TYR 7 2.382 -6.760 -4.563 61 H CYS 8 H CYS 8 -3.154 -5.523 1.729 62 HA CYS 8 HA CYS 8 -5.050 -7.387 3.122 63 1HB CYS 8 1HB CYS 8 -4.375 -6.473 5.214 64 2HB CYS 8 2HB CYS 8 -2.881 -6.761 4.337 65 H GLU 9 H GLU 9 -6.052 -5.599 4.876 66 HA GLU 9 HA GLU 9 -7.739 -3.845 3.152 67 1HB GLU 9 1HB GLU 9 -9.284 -3.979 5.246 68 2HB GLU 9 2HB GLU 9 -9.126 -5.402 4.252 69 1HG GLU 9 2HG GLU 9 -9.037 -5.928 6.697 70 2HG GLU 9 1HG GLU 9 -7.604 -6.456 5.851 71 H PHE 10 H PHE 10 -5.420 -2.758 3.518 72 HA PHE 10 HA PHE 10 -5.539 -0.906 5.852 73 1HB PHE 10 1HB PHE 10 -3.388 -1.959 5.461 74 2HB PHE 10 2HB PHE 10 -3.306 -1.391 3.802 75 HD1 PHE 10 HD1 PHE 10 -2.950 -0.481 7.335 76 HD2 PHE 10 HD2 PHE 10 -2.963 1.064 3.362 77 HE1 PHE 10 HE1 PHE 10 -1.943 1.608 8.137 78 HE2 PHE 10 HE2 PHE 10 -1.964 3.169 4.192 79 HZ PHE 10 HZ PHE 10 -1.453 3.428 6.558 80 H ARG 11 H ARG 11 -7.024 0.405 5.350 81 HA ARG 11 HA ARG 11 -6.872 2.000 2.830 82 1HB ARG 11 1HB ARG 11 -8.920 0.632 3.128 83 2HB ARG 11 2HB ARG 11 -9.251 1.435 4.635 84 1HG ARG 11 2HG ARG 11 -9.673 3.538 3.570 85 2HG ARG 11 1HG ARG 11 -8.935 3.009 2.066 86 1HD ARG 11 2HD ARG 11 -10.769 1.319 1.777 87 2HD ARG 11 1HD ARG 11 -11.549 1.982 3.214 88 HE ARG 11 HE ARG 11 -11.923 4.057 2.022 89 1HH1 ARG 11 1HH1 ARG 11 -12.800 1.852 0.085 90 2HH1 ARG 11 2HH1 ARG 11 -12.092 2.414 -1.393 91 1HH2 ARG 11 1HH2 ARG 11 -9.996 4.655 0.313 92 2HH2 ARG 11 2HH2 ARG 11 -10.403 4.074 -1.275 93 H SER 12 H SER 12 -5.853 3.703 3.274 94 HA SER 12 HA SER 12 -6.327 5.242 5.809 95 1HB SER 12 2HB SER 12 -3.748 4.595 4.333 96 2HB SER 12 1HB SER 12 -3.739 5.787 5.587 97 HG SER 12 HG SER 12 -3.885 4.237 6.994 98 H ALA 13 H ALA 13 -5.337 7.560 5.497 99 HA ALA 13 HA ALA 13 -6.337 8.603 2.859 100 1HB ALA 13 1HB ALA 13 -7.043 10.627 4.117 101 2HB ALA 13 2HB ALA 13 -6.436 9.921 5.610 102 3HB ALA 13 3HB ALA 13 -7.805 9.191 4.782 103 H ASP 14 H ASP 14 -3.750 7.705 3.341 104 HA ASP 14 HA ASP 14 -2.183 10.216 2.922 105 1HB ASP 14 1HB ASP 14 -1.879 8.922 5.282 106 2HB ASP 14 2HB ASP 14 -0.967 7.798 4.313 107 H SER 15 H SER 15 -0.513 9.941 1.351 108 HA SER 15 HA SER 15 -0.577 7.354 -0.166 109 1HB SER 15 2HB SER 15 -1.877 9.209 -1.334 110 2HB SER 15 1HB SER 15 -0.408 10.187 -1.367 111 HG SER 15 HG SER 15 -1.130 8.143 -2.953 112 H SER 16 H SER 16 1.264 8.810 1.817 113 HA SER 16 HA SER 16 3.819 8.406 0.353 114 1HB SER 16 2HB SER 16 4.837 10.017 1.948 115 2HB SER 16 1HB SER 16 3.349 10.789 1.404 116 HG SER 16 HG SER 16 4.020 9.968 3.861 117 H ASN 17 H ASN 17 1.759 7.860 3.117 118 HA ASN 17 HA ASN 17 3.608 5.825 4.243 119 1HB ASN 17 1HB ASN 17 1.009 6.980 5.357 120 2HB ASN 17 2HB ASN 17 2.155 5.957 6.220 121 1HD2 ASN 17 2HD2 ASN 17 4.607 7.133 5.345 122 2HD2 ASN 17 1HD2 ASN 17 4.693 8.714 5.959 123 H LEU 18 H LEU 18 1.721 5.673 1.773 124 HA LEU 18 HA LEU 18 0.231 3.213 2.553 125 1HB LEU 18 1HB LEU 18 -1.146 4.968 1.508 126 2HB LEU 18 2HB LEU 18 -0.032 5.075 0.146 127 HG LEU 18 HG LEU 18 -0.661 2.853 -0.642 128 1HD1 LEU 18 1HD1 LEU 18 -0.901 1.691 1.594 129 2HD1 LEU 18 2HD1 LEU 18 -2.307 1.434 0.586 130 3HD1 LEU 18 3HD1 LEU 18 -2.373 2.609 1.886 131 1HD2 LEU 18 1HD2 LEU 18 -3.122 4.353 0.318 132 2HD2 LEU 18 2HD2 LEU 18 -3.106 3.184 -0.993 133 3HD2 LEU 18 3HD2 LEU 18 -2.248 4.710 -1.165 134 H LYS 19 H LYS 19 2.411 4.635 0.108 135 HA LYS 19 HA LYS 19 2.953 2.063 -1.139 136 1HB LYS 19 1HB LYS 19 4.884 3.304 -2.229 137 2HB LYS 19 2HB LYS 19 3.402 4.224 -2.355 138 1HG LYS 19 2HG LYS 19 4.092 5.607 -0.375 139 2HG LYS 19 1HG LYS 19 5.605 4.709 -0.296 140 1HD LYS 19 2HD LYS 19 6.166 5.430 -2.606 141 2HD LYS 19 1HD LYS 19 4.654 6.322 -2.692 142 1HE LYS 19 2HE LYS 19 5.384 7.717 -0.758 143 2HE LYS 19 1HE LYS 19 6.915 6.855 -0.723 144 1HZ LYS 19 1HZ LYS 19 7.659 8.200 -2.277 145 2HZ LYS 19 2HZ LYS 19 6.171 9.026 -2.302 146 3HZ LYS 19 3HZ LYS 19 6.426 7.708 -3.341 147 H THR 20 H THR 20 4.355 4.027 1.410 148 HA THR 20 HA THR 20 6.593 2.316 1.952 149 HB THR 20 HB THR 20 5.034 4.232 3.811 150 HG1 THR 20 HG1 THR 20 5.937 5.494 2.420 151 1HG2 THR 20 1HG2 THR 20 6.645 2.621 5.042 152 2HG2 THR 20 2HG2 THR 20 7.150 4.300 5.113 153 3HG2 THR 20 3HG2 THR 20 7.931 3.196 3.991 154 H HIS 21 H HIS 21 3.288 2.549 3.248 155 HA HIS 21 HA HIS 21 3.252 0.520 5.135 156 1HB HIS 21 1HB HIS 21 1.165 1.663 4.789 157 2HB HIS 21 2HB HIS 21 1.120 1.329 3.080 158 HD1 HIS 21 HD1 HIS 21 0.631 -0.455 6.326 159 HD2 HIS 21 HD2 HIS 21 -0.083 -1.031 2.349 160 HE1 HIS 21 HE1 HIS 21 -0.753 -2.495 6.162 161 H ILE 22 H ILE 22 2.629 0.005 1.623 162 HA ILE 22 HA ILE 22 2.637 -2.808 1.682 163 HB ILE 22 HB ILE 22 3.612 -0.936 -0.539 164 1HG1 ILE 22 2HG1 ILE 22 0.920 -2.344 -0.154 165 2HG1 ILE 22 1HG1 ILE 22 1.208 -0.672 0.274 166 1HG2 ILE 22 1HG2 ILE 22 4.475 -3.255 -0.892 167 2HG2 ILE 22 2HG2 ILE 22 3.236 -2.890 -2.063 168 3HG2 ILE 22 3HG2 ILE 22 2.857 -3.889 -0.669 169 1HD1 ILE 22 1HD ILE 22 1.469 -1.823 -2.538 170 2HD1 ILE 22 2HD ILE 22 1.773 -0.153 -2.089 171 3HD1 ILE 22 3HD ILE 22 0.156 -0.825 -1.952 172 H LYS 23 H LYS 23 5.404 -0.732 0.984 173 HA LYS 23 HA LYS 23 7.349 -2.685 0.694 174 1HB LYS 23 1HB LYS 23 7.544 -0.276 0.093 175 2HB LYS 23 2HB LYS 23 7.589 0.151 1.793 176 1HG LYS 23 2HG LYS 23 9.719 -0.746 2.124 177 2HG LYS 23 1HG LYS 23 9.635 -1.783 0.727 178 1HD LYS 23 2HD LYS 23 11.132 -0.006 0.074 179 2HD LYS 23 1HD LYS 23 9.617 0.413 -0.679 180 1HE LYS 23 2HE LYS 23 10.478 1.537 2.016 181 2HE LYS 23 1HE LYS 23 10.787 2.343 0.490 182 1HZ LYS 23 1HZ LYS 23 8.086 1.653 0.557 183 2HZ LYS 23 2HZ LYS 23 8.790 3.193 0.571 184 3HZ LYS 23 3HZ LYS 23 8.474 2.396 2.034 185 H THR 24 H THR 24 6.155 -1.481 3.729 186 HA THR 24 HA THR 24 8.280 -2.980 5.173 187 HB THR 24 HB THR 24 7.926 -0.589 5.818 188 HG1 THR 24 HG1 THR 24 7.904 -2.784 7.345 189 1HG2 THR 24 1HG2 THR 24 5.231 -1.582 6.906 190 2HG2 THR 24 2HG2 THR 24 5.370 -0.532 5.508 191 3HG2 THR 24 3HG2 THR 24 5.895 0.029 7.085 192 H LYS 25 H LYS 25 4.794 -3.073 4.716 193 HA LYS 25 HA LYS 25 4.529 -5.254 6.696 194 1HB LYS 25 1HB LYS 25 2.655 -3.264 5.476 195 2HB LYS 25 2HB LYS 25 1.967 -4.778 6.034 196 1HG LYS 25 2HG LYS 25 3.020 -4.359 8.285 197 2HG LYS 25 1HG LYS 25 3.709 -2.864 7.680 198 1HD LYS 25 2HD LYS 25 1.470 -1.952 7.275 199 2HD LYS 25 1HD LYS 25 0.720 -3.461 7.773 200 1HE LYS 25 2HE LYS 25 1.697 -3.150 10.054 201 2HE LYS 25 1HE LYS 25 2.421 -1.636 9.524 202 1HZ LYS 25 1HZ LYS 25 -0.287 -1.593 8.849 203 2HZ LYS 25 2HZ LYS 25 0.541 -0.620 9.967 204 3HZ LYS 25 3HZ LYS 25 -0.159 -2.085 10.467 205 H HIS 26 H HIS 26 4.647 -4.994 3.222 206 HA HIS 26 HA HIS 26 3.487 -7.739 3.096 207 1HB HIS 26 1HB HIS 26 3.260 -5.482 1.082 208 2HB HIS 26 2HB HIS 26 2.718 -7.122 0.790 209 HD1 HIS 26 HD1 HIS 26 1.231 -7.851 3.201 210 HD2 HIS 26 HD2 HIS 26 1.059 -4.005 1.855 211 HE1 HIS 26 HE1 HIS 26 -0.826 -6.875 4.146 212 H SER 27 H SER 27 5.702 -5.590 1.539 213 HA SER 27 HA SER 27 7.227 -7.978 0.531 214 1HB SER 27 2HB SER 27 8.013 -6.501 -1.329 215 2HB SER 27 1HB SER 27 6.246 -6.535 -1.256 216 HG SER 27 HG SER 27 7.912 -4.471 -0.869 217 H LYS 28 H LYS 28 9.524 -7.384 -0.022 218 HA LYS 28 HA LYS 28 10.844 -5.952 2.249 219 1HB LYS 28 1HB LYS 28 11.709 -8.520 0.815 220 2HB LYS 28 2HB LYS 28 12.702 -7.663 1.970 221 1HG LYS 28 2HG LYS 28 9.986 -8.891 2.597 222 2HG LYS 28 1HG LYS 28 11.539 -9.596 3.000 223 1HD LYS 28 2HD LYS 28 12.014 -7.358 4.275 224 2HD LYS 28 1HD LYS 28 10.303 -7.032 4.096 225 1HE LYS 28 2HE LYS 28 10.665 -8.097 6.262 226 2HE LYS 28 1HE LYS 28 9.804 -9.235 5.234 227 1HZ LYS 28 1HZ LYS 28 11.438 -10.659 5.496 228 2HZ LYS 28 2HZ LYS 28 12.265 -9.561 6.495 229 3HZ LYS 28 3HZ LYS 28 12.550 -9.565 4.823 230 H GLU 29 H GLU 29 10.520 -4.227 0.695 231 HA GLU 29 HA GLU 29 12.562 -4.155 -1.489 232 1HB GLU 29 1HB GLU 29 10.199 -3.796 -2.161 233 2HB GLU 29 2HB GLU 29 10.061 -2.443 -1.067 234 1HG GLU 29 2HG GLU 29 11.921 -1.284 -2.327 235 2HG GLU 29 1HG GLU 29 11.934 -2.628 -3.461 236 H LYS 30 H LYS 30 11.320 -2.601 1.342 237 HA LYS 30 HA LYS 30 12.048 -0.318 2.075 238 1HB LYS 30 1HB LYS 30 13.497 -2.672 3.332 239 2HB LYS 30 2HB LYS 30 13.347 -1.087 4.075 240 1HG LYS 30 2HG LYS 30 10.847 -1.295 4.016 241 2HG LYS 30 1HG LYS 30 10.999 -2.858 3.243 242 1HD LYS 30 2HD LYS 30 10.556 -3.153 5.635 243 2HD LYS 30 1HD LYS 30 12.138 -3.780 5.235 244 1HE LYS 30 2HE LYS 30 12.198 -2.473 7.342 245 2HE LYS 30 1HE LYS 30 13.198 -1.705 6.125 246 1HZ LYS 30 1HZ LYS 30 11.056 -0.632 7.526 247 2HZ LYS 30 2HZ LYS 30 10.580 -0.718 5.899 248 3HZ LYS 30 3HZ LYS 30 12.001 0.108 6.328 Start of MODEL 15 1 1H LYS 1 1H LYS 1 -9.327 12.394 -1.856 2 2H LYS 1 2H LYS 1 -9.740 11.654 -0.386 3 3H LYS 1 3H LYS 1 -10.941 12.397 -1.328 4 HA LYS 1 HA LYS 1 -11.337 10.522 -2.347 5 1HB LYS 1 2HB LYS 1 -9.864 11.177 -4.114 6 2HB LYS 1 1HB LYS 1 -8.427 10.960 -3.142 7 1HG LYS 1 2HG LYS 1 -8.688 9.224 -4.897 8 2HG LYS 1 1HG LYS 1 -8.593 8.548 -3.298 9 1HD LYS 1 2HD LYS 1 -11.273 8.595 -3.440 10 2HD LYS 1 1HD LYS 1 -10.975 8.777 -5.159 11 1HE LYS 1 2HE LYS 1 -9.600 6.686 -5.134 12 2HE LYS 1 1HE LYS 1 -9.895 6.532 -3.407 13 1HZ LYS 1 1HZ LYS 1 -11.770 5.525 -3.825 14 2HZ LYS 1 2HZ LYS 1 -11.497 5.656 -5.495 15 3HZ LYS 1 3HZ LYS 1 -12.351 6.875 -4.674 16 H THR 2 H THR 2 -8.084 9.896 -1.120 17 HA THR 2 HA THR 2 -7.375 8.554 0.704 18 HB THR 2 HB THR 2 -10.005 6.947 0.520 19 HG1 THR 2 HG1 THR 2 -9.457 9.459 1.437 20 1HG2 THR 2 1HG2 THR 2 -8.180 5.890 1.897 21 2HG2 THR 2 2HG2 THR 2 -9.555 6.392 2.854 22 3HG2 THR 2 3HG2 THR 2 -8.099 7.369 2.850 23 H TYR 3 H TYR 3 -6.622 6.265 0.790 24 HA TYR 3 HA TYR 3 -6.736 4.867 -1.842 25 1HB TYR 3 1HB TYR 3 -4.220 5.343 -0.184 26 2HB TYR 3 2HB TYR 3 -4.322 4.561 -1.754 27 HD1 TYR 3 HD1 TYR 3 -5.139 5.943 -3.763 28 HD2 TYR 3 HD2 TYR 3 -4.120 7.716 -0.027 29 HE1 TYR 3 HE1 TYR 3 -4.982 8.138 -4.842 30 HE2 TYR 3 HE2 TYR 3 -3.961 9.900 -1.106 31 HH TYR 3 HH TYR 3 -4.434 10.275 -4.597 32 H GLN 4 H GLN 4 -6.531 2.659 -1.726 33 HA GLN 4 HA GLN 4 -6.745 1.438 0.995 34 1HB GLN 4 1HB GLN 4 -8.868 1.307 -0.242 35 2HB GLN 4 2HB GLN 4 -8.061 0.686 -1.661 36 1HG GLN 4 2HG GLN 4 -9.226 -1.125 -0.517 37 2HG GLN 4 1HG GLN 4 -7.511 -1.424 -0.420 38 1HE2 GLN 4 2HE2 GLN 4 -10.194 -1.690 1.350 39 2HE2 GLN 4 1HE2 GLN 4 -9.606 -1.434 2.924 40 H CYS 5 H CYS 5 -5.946 -0.817 1.079 41 HA CYS 5 HA CYS 5 -3.359 -1.025 -0.369 42 1HB CYS 5 1HB CYS 5 -3.390 -1.327 2.051 43 2HB CYS 5 2HB CYS 5 -4.556 -2.643 1.907 44 H GLN 6 H GLN 6 -2.738 -2.907 -1.475 45 HA GLN 6 HA GLN 6 -4.994 -4.504 -2.642 46 1HB GLN 6 1HB GLN 6 -3.822 -2.892 -4.176 47 2HB GLN 6 2HB GLN 6 -2.299 -3.679 -3.842 48 1HG GLN 6 2HG GLN 6 -3.330 -4.332 -6.035 49 2HG GLN 6 1HG GLN 6 -3.026 -5.723 -5.022 50 1HE2 GLN 6 2HE2 GLN 6 -4.746 -7.123 -4.936 51 2HE2 GLN 6 1HE2 GLN 6 -6.378 -6.708 -5.151 52 H TYR 7 H TYR 7 -3.693 -5.074 -0.226 53 HA TYR 7 HA TYR 7 -2.632 -7.798 -0.782 54 1HB TYR 7 1HB TYR 7 -1.394 -5.720 1.080 55 2HB TYR 7 2HB TYR 7 -0.877 -7.397 0.990 56 HD1 TYR 7 HD1 TYR 7 -0.030 -8.283 -1.267 57 HD2 TYR 7 HD2 TYR 7 -0.573 -4.122 -0.514 58 HE1 TYR 7 HE1 TYR 7 1.404 -7.742 -3.178 59 HE2 TYR 7 HE2 TYR 7 0.859 -3.592 -2.425 60 HH TYR 7 HH TYR 7 2.090 -4.374 -4.079 61 H CYS 8 H CYS 8 -3.402 -5.527 1.781 62 HA CYS 8 HA CYS 8 -5.233 -7.532 3.046 63 1HB CYS 8 1HB CYS 8 -4.572 -6.707 5.209 64 2HB CYS 8 2HB CYS 8 -3.095 -7.075 4.326 65 H GLU 9 H GLU 9 -6.208 -5.772 4.938 66 HA GLU 9 HA GLU 9 -7.855 -3.909 3.276 67 1HB GLU 9 1HB GLU 9 -9.538 -4.172 5.151 68 2HB GLU 9 2HB GLU 9 -9.173 -5.673 4.331 69 1HG GLU 9 2HG GLU 9 -7.594 -6.304 6.164 70 2HG GLU 9 1HG GLU 9 -7.927 -4.798 6.989 71 H PHE 10 H PHE 10 -5.639 -2.852 3.636 72 HA PHE 10 HA PHE 10 -5.666 -1.083 6.046 73 1HB PHE 10 1HB PHE 10 -3.601 -2.299 5.817 74 2HB PHE 10 2HB PHE 10 -3.387 -1.839 4.135 75 HD1 PHE 10 HD1 PHE 10 -3.280 -0.653 7.642 76 HD2 PHE 10 HD2 PHE 10 -2.636 0.431 3.571 77 HE1 PHE 10 HE1 PHE 10 -2.133 1.391 8.366 78 HE2 PHE 10 HE2 PHE 10 -1.503 2.517 4.330 79 HZ PHE 10 HZ PHE 10 -1.253 2.980 6.678 80 H ARG 11 H ARG 11 -6.856 0.549 5.562 81 HA ARG 11 HA ARG 11 -6.522 1.998 2.968 82 1HB ARG 11 1HB ARG 11 -8.775 3.064 3.684 83 2HB ARG 11 2HB ARG 11 -8.818 1.397 3.179 84 1HG ARG 11 2HG ARG 11 -8.654 0.790 5.721 85 2HG ARG 11 1HG ARG 11 -8.926 2.492 6.036 86 1HD ARG 11 2HD ARG 11 -11.064 1.214 6.096 87 2HD ARG 11 1HD ARG 11 -11.069 2.359 4.755 88 HE ARG 11 HE ARG 11 -10.505 0.454 3.245 89 1HH1 ARG 11 2HH2 ARG 11 -13.209 -0.068 4.278 90 2HH1 ARG 11 1HH2 ARG 11 -13.105 -1.701 4.841 91 1HH2 ARG 11 1HH1 ARG 11 -9.592 -1.654 4.889 92 2HH2 ARG 11 2HH1 ARG 11 -10.991 -2.624 5.203 93 H SER 12 H SER 12 -5.767 3.985 3.017 94 HA SER 12 HA SER 12 -5.454 5.485 5.578 95 1HB SER 12 2HB SER 12 -3.194 5.024 3.565 96 2HB SER 12 1HB SER 12 -2.909 5.631 5.146 97 HG SER 12 HG SER 12 -3.109 3.816 6.013 98 H ALA 13 H ALA 13 -4.989 7.797 5.194 99 HA ALA 13 HA ALA 13 -5.981 8.721 2.512 100 1HB ALA 13 1HB ALA 13 -7.146 10.560 3.736 101 2HB ALA 13 2HB ALA 13 -6.558 9.911 5.263 102 3HB ALA 13 3HB ALA 13 -7.703 8.997 4.297 103 H ASP 14 H ASP 14 -3.317 8.399 2.881 104 HA ASP 14 HA ASP 14 -2.362 11.240 3.014 105 1HB ASP 14 1HB ASP 14 -1.559 10.023 4.980 106 2HB ASP 14 2HB ASP 14 -0.950 8.729 3.958 107 H SER 15 H SER 15 -1.372 8.093 1.920 108 HA SER 15 HA SER 15 -1.142 7.443 -0.414 109 1HB SER 15 2HB SER 15 0.309 10.187 -0.742 110 2HB SER 15 1HB SER 15 0.172 8.958 -1.998 111 HG SER 15 HG SER 15 -1.628 10.760 -1.292 112 H SER 16 H SER 16 1.549 9.405 0.926 113 HA SER 16 HA SER 16 3.601 7.546 0.264 114 1HB SER 16 2HB SER 16 4.191 9.804 1.168 115 2HB SER 16 1HB SER 16 3.458 9.400 2.723 116 HG SER 16 HG SER 16 5.090 7.403 2.249 117 H ASN 17 H ASN 17 1.805 8.018 3.212 118 HA ASN 17 HA ASN 17 2.540 6.008 4.887 119 1HB ASN 17 1HB ASN 17 0.697 7.677 5.323 120 2HB ASN 17 2HB ASN 17 -0.359 6.742 4.281 121 1HD2 ASN 17 2HD2 ASN 17 1.585 4.527 6.018 122 2HD2 ASN 17 1HD2 ASN 17 0.485 4.219 7.274 123 H LEU 18 H LEU 18 0.154 5.635 2.245 124 HA LEU 18 HA LEU 18 -0.189 2.829 2.699 125 1HB LEU 18 1HB LEU 18 -1.861 4.190 1.504 126 2HB LEU 18 2HB LEU 18 -0.688 4.562 0.239 127 HG LEU 18 HG LEU 18 -0.621 2.194 -0.453 128 1HD1 LEU 18 1HD1 LEU 18 -1.099 1.147 1.793 129 2HD1 LEU 18 2HD1 LEU 18 -2.179 0.547 0.558 130 3HD1 LEU 18 3HD1 LEU 18 -2.745 1.749 1.701 131 1HD2 LEU 18 1HD2 LEU 18 -2.895 2.071 -1.358 132 2HD2 LEU 18 2HD2 LEU 18 -2.351 3.735 -1.397 133 3HD2 LEU 18 3HD2 LEU 18 -3.479 3.206 -0.148 134 H LYS 19 H LYS 19 1.773 4.495 0.232 135 HA LYS 19 HA LYS 19 2.813 2.108 -0.951 136 1HB LYS 19 1HB LYS 19 4.287 4.785 -0.513 137 2HB LYS 19 2HB LYS 19 4.721 3.597 -1.724 138 1HG LYS 19 2HG LYS 19 2.643 3.974 -2.951 139 2HG LYS 19 1HG LYS 19 2.028 5.025 -1.695 140 1HD LYS 19 2HD LYS 19 3.959 6.592 -2.103 141 2HD LYS 19 1HD LYS 19 4.515 5.547 -3.399 142 1HE LYS 19 2HE LYS 19 3.191 7.412 -4.322 143 2HE LYS 19 1HE LYS 19 2.339 5.897 -4.587 144 1HZ LYS 19 1HZ LYS 19 0.638 6.696 -3.472 145 2HZ LYS 19 2HZ LYS 19 1.458 8.159 -3.224 146 3HZ LYS 19 3HZ LYS 19 1.590 6.910 -2.085 147 H THR 20 H THR 20 4.093 4.007 1.672 148 HA THR 20 HA THR 20 6.349 2.398 2.227 149 HB THR 20 HB THR 20 4.615 4.039 4.251 150 HG1 THR 20 HG1 THR 20 5.295 5.687 3.040 151 1HG2 THR 20 1HG2 THR 20 6.650 2.700 5.191 152 2HG2 THR 20 2HG2 THR 20 6.820 4.439 5.355 153 3HG2 THR 20 3HG2 THR 20 7.660 3.593 4.065 154 H HIS 21 H HIS 21 3.063 2.314 3.639 155 HA HIS 21 HA HIS 21 3.262 0.129 5.305 156 1HB HIS 21 1HB HIS 21 1.169 1.324 5.186 157 2HB HIS 21 2HB HIS 21 0.995 1.070 3.465 158 HD1 HIS 21 HD1 HIS 21 0.637 -0.829 6.659 159 HD2 HIS 21 HD2 HIS 21 -0.113 -1.325 2.675 160 HE1 HIS 21 HE1 HIS 21 -0.715 -2.890 6.457 161 H ILE 22 H ILE 22 2.471 -0.025 1.791 162 HA ILE 22 HA ILE 22 2.429 -2.805 1.540 163 HB ILE 22 HB ILE 22 3.344 -0.679 -0.445 164 1HG1 ILE 22 2HG1 ILE 22 0.706 -2.196 -0.168 165 2HG1 ILE 22 1HG1 ILE 22 0.962 -0.603 0.503 166 1HG2 ILE 22 1HG2 ILE 22 2.954 -2.445 -2.202 167 2HG2 ILE 22 2HG2 ILE 22 2.646 -3.612 -0.928 168 3HG2 ILE 22 3HG2 ILE 22 4.239 -2.915 -1.125 169 1HD1 ILE 22 1HD ILE 22 1.436 0.285 -1.764 170 2HD1 ILE 22 2HD ILE 22 -0.162 -0.437 -1.671 171 3HD1 ILE 22 3HD ILE 22 1.147 -1.303 -2.455 172 H LYS 23 H LYS 23 5.308 -0.734 1.156 173 HA LYS 23 HA LYS 23 7.067 -2.950 0.654 174 1HB LYS 23 1HB LYS 23 7.692 -0.166 1.709 175 2HB LYS 23 2HB LYS 23 8.883 -1.274 1.053 176 1HG LYS 23 2HG LYS 23 6.488 -0.156 -0.487 177 2HG LYS 23 1HG LYS 23 8.135 0.422 -0.631 178 1HD LYS 23 2HD LYS 23 8.855 -1.822 -1.455 179 2HD LYS 23 1HD LYS 23 7.208 -2.413 -1.305 180 1HE LYS 23 2HE LYS 23 7.650 -1.805 -3.627 181 2HE LYS 23 1HE LYS 23 6.411 -0.762 -2.952 182 1HZ LYS 23 1HZ LYS 23 8.823 -0.038 -4.116 183 2HZ LYS 23 2HZ LYS 23 8.930 0.378 -2.472 184 3HZ LYS 23 3HZ LYS 23 7.653 0.975 -3.418 185 H THR 24 H THR 24 6.320 -1.335 3.672 186 HA THR 24 HA THR 24 8.260 -2.832 5.233 187 HB THR 24 HB THR 24 5.993 -0.967 6.115 188 HG1 THR 24 HG1 THR 24 8.490 -0.076 6.333 189 1HG2 THR 24 1HG2 THR 24 8.573 -1.835 7.554 190 2HG2 THR 24 2HG2 THR 24 6.984 -2.433 8.005 191 3HG2 THR 24 3HG2 THR 24 7.358 -0.728 8.179 192 H LYS 25 H LYS 25 4.758 -3.069 4.825 193 HA LYS 25 HA LYS 25 4.545 -5.272 6.750 194 1HB LYS 25 1HB LYS 25 2.505 -3.744 5.083 195 2HB LYS 25 2HB LYS 25 2.060 -5.100 6.107 196 1HG LYS 25 2HG LYS 25 3.412 -2.529 7.039 197 2HG LYS 25 1HG LYS 25 1.704 -2.871 7.189 198 1HD LYS 25 2HD LYS 25 2.318 -4.925 8.585 199 2HD LYS 25 1HD LYS 25 3.980 -4.363 8.576 200 1HE LYS 25 2HE LYS 25 2.920 -3.580 10.621 201 2HE LYS 25 1HE LYS 25 3.207 -2.182 9.595 202 1HZ LYS 25 1HZ LYS 25 1.056 -1.753 9.625 203 2HZ LYS 25 2HZ LYS 25 0.797 -3.083 10.649 204 3HZ LYS 25 3HZ LYS 25 0.701 -3.277 8.967 205 H HIS 26 H HIS 26 4.130 -4.674 3.299 206 HA HIS 26 HA HIS 26 3.901 -7.640 2.881 207 1HB HIS 26 1HB HIS 26 3.155 -5.390 0.938 208 2HB HIS 26 2HB HIS 26 2.834 -7.102 0.750 209 HD1 HIS 26 HD1 HIS 26 1.404 -8.026 3.004 210 HD2 HIS 26 HD2 HIS 26 0.998 -4.082 2.034 211 HE1 HIS 26 HE1 HIS 26 -0.682 -7.252 4.081 212 H SER 27 H SER 27 6.211 -7.225 3.481 213 HA SER 27 HA SER 27 8.449 -6.465 2.718 214 1HB SER 27 2HB SER 27 7.782 -9.355 2.034 215 2HB SER 27 1HB SER 27 9.408 -8.728 2.332 216 HG SER 27 HG SER 27 7.768 -7.867 4.263 217 H LYS 28 H LYS 28 8.550 -5.074 1.131 218 HA LYS 28 HA LYS 28 8.242 -4.337 -1.171 219 1HB LYS 28 1HB LYS 28 10.386 -3.886 -0.154 220 2HB LYS 28 2HB LYS 28 11.001 -5.458 -0.616 221 1HG LYS 28 2HG LYS 28 10.772 -4.832 -3.041 222 2HG LYS 28 1HG LYS 28 10.134 -3.270 -2.577 223 1HD LYS 28 2HD LYS 28 12.913 -4.325 -1.880 224 2HD LYS 28 1HD LYS 28 12.566 -3.212 -3.185 225 1HE LYS 28 2HE LYS 28 12.126 -2.658 -0.207 226 2HE LYS 28 1HE LYS 28 13.392 -1.981 -1.210 227 1HZ LYS 28 1HZ LYS 28 12.038 -0.376 -1.792 228 2HZ LYS 28 2HZ LYS 28 10.806 -1.037 -0.828 229 3HZ LYS 28 3HZ LYS 28 10.940 -1.483 -2.460 230 H GLU 29 H GLU 29 10.117 -7.252 -1.446 231 HA GLU 29 HA GLU 29 8.851 -7.770 -4.111 232 1HB GLU 29 1HB GLU 29 10.942 -9.017 -4.671 233 2HB GLU 29 2HB GLU 29 11.190 -7.317 -4.336 234 1HG GLU 29 2HG GLU 29 11.905 -7.956 -1.969 235 2HG GLU 29 1HG GLU 29 11.756 -9.644 -2.424 236 H LYS 30 H LYS 30 10.166 -9.624 -1.400 237 HA LYS 30 HA LYS 30 9.978 -12.116 -1.442 238 1HB LYS 30 1HB LYS 30 9.518 -10.859 0.660 239 2HB LYS 30 2HB LYS 30 7.825 -10.766 0.218 240 1HG LYS 30 2HG LYS 30 7.686 -13.276 0.234 241 2HG LYS 30 1HG LYS 30 9.396 -13.373 0.596 242 1HD LYS 30 2HD LYS 30 8.216 -13.691 2.671 243 2HD LYS 30 1HD LYS 30 8.915 -12.086 2.744 244 1HE LYS 30 2HE LYS 30 6.699 -11.115 2.037 245 2HE LYS 30 1HE LYS 30 6.030 -12.739 1.998 246 1HZ LYS 30 1HZ LYS 30 7.288 -12.391 4.461 247 2HZ LYS 30 2HZ LYS 30 5.632 -12.572 4.132 248 3HZ LYS 30 3HZ LYS 30 6.331 -11.021 4.177 Start of MODEL 16 1 1H LYS 1 1H LYS 1 -12.078 10.474 -3.655 2 2H LYS 1 2H LYS 1 -11.372 10.989 -2.199 3 3H LYS 1 3H LYS 1 -13.043 10.717 -2.279 4 HA LYS 1 HA LYS 1 -12.773 8.643 -1.660 5 1HB LYS 1 2HB LYS 1 -11.678 7.044 -3.194 6 2HB LYS 1 1HB LYS 1 -12.616 8.213 -4.094 7 1HG LYS 1 2HG LYS 1 -10.621 9.465 -4.733 8 2HG LYS 1 1HG LYS 1 -9.607 8.533 -3.651 9 1HD LYS 1 2HD LYS 1 -9.337 7.745 -5.964 10 2HD LYS 1 1HD LYS 1 -10.019 6.488 -4.958 11 1HE LYS 1 2HE LYS 1 -12.309 7.048 -5.821 12 2HE LYS 1 1HE LYS 1 -11.609 8.303 -6.834 13 1HZ LYS 1 1HZ LYS 1 -10.214 5.920 -7.266 14 2HZ LYS 1 2HZ LYS 1 -11.201 6.783 -8.346 15 3HZ LYS 1 3HZ LYS 1 -11.877 5.585 -7.350 16 H THR 2 H THR 2 -10.873 6.855 -1.431 17 HA THR 2 HA THR 2 -8.655 8.144 0.120 18 HB THR 2 HB THR 2 -8.861 6.187 1.718 19 HG1 THR 2 HG1 THR 2 -9.771 4.506 0.875 20 1HG2 THR 2 1HG2 THR 2 -10.540 8.135 2.049 21 2HG2 THR 2 2HG2 THR 2 -11.169 6.577 2.568 22 3HG2 THR 2 3HG2 THR 2 -11.672 7.253 1.032 23 H TYR 3 H TYR 3 -6.982 6.181 0.558 24 HA TYR 3 HA TYR 3 -6.237 5.023 -2.072 25 1HB TYR 3 1HB TYR 3 -4.431 5.746 0.297 26 2HB TYR 3 2HB TYR 3 -3.922 5.284 -1.320 27 HD1 TYR 3 HD1 TYR 3 -5.545 6.959 -3.097 28 HD2 TYR 3 HD2 TYR 3 -3.780 7.937 0.652 29 HE1 TYR 3 HE1 TYR 3 -5.492 9.319 -3.739 30 HE2 TYR 3 HE2 TYR 3 -3.730 10.301 0.011 31 HH TYR 3 HH TYR 3 -4.337 11.815 -1.498 32 H GLN 4 H GLN 4 -6.471 2.921 -2.026 33 HA GLN 4 HA GLN 4 -6.725 1.464 0.562 34 1HB GLN 4 1HB GLN 4 -8.693 1.435 -0.884 35 2HB GLN 4 2HB GLN 4 -7.740 0.903 -2.243 36 1HG GLN 4 2HG GLN 4 -8.964 -1.012 -1.421 37 2HG GLN 4 1HG GLN 4 -7.288 -1.274 -0.998 38 1HE2 GLN 4 1HE2 GLN 4 -7.089 -2.040 1.091 39 2HE2 GLN 4 2HE2 GLN 4 -8.106 -1.648 2.393 40 H CYS 5 H CYS 5 -5.853 -0.537 0.819 41 HA CYS 5 HA CYS 5 -3.308 -1.072 -0.653 42 1HB CYS 5 1HB CYS 5 -3.158 -0.823 1.831 43 2HB CYS 5 2HB CYS 5 -4.371 -2.088 2.025 44 H GLN 6 H GLN 6 -3.187 -2.927 -1.806 45 HA GLN 6 HA GLN 6 -5.608 -4.676 -1.908 46 1HB GLN 6 1HB GLN 6 -4.986 -5.134 -4.251 47 2HB GLN 6 2HB GLN 6 -5.179 -3.423 -3.986 48 1HG GLN 6 2HG GLN 6 -2.394 -4.617 -3.817 49 2HG GLN 6 1HG GLN 6 -3.098 -4.309 -5.384 50 1HE2 GLN 6 2HE2 GLN 6 -3.152 -2.160 -6.127 51 2HE2 GLN 6 1HE2 GLN 6 -2.540 -0.842 -5.252 52 H TYR 7 H TYR 7 -3.732 -5.048 0.014 53 HA TYR 7 HA TYR 7 -2.624 -7.738 -0.667 54 1HB TYR 7 1HB TYR 7 -1.327 -5.647 1.111 55 2HB TYR 7 2HB TYR 7 -0.605 -7.176 0.630 56 HD1 TYR 7 HD1 TYR 7 -0.636 -7.479 -2.123 57 HD2 TYR 7 HD2 TYR 7 -0.570 -3.776 -0.025 58 HE1 TYR 7 HE1 TYR 7 0.286 -6.355 -4.105 59 HE2 TYR 7 HE2 TYR 7 0.339 -2.670 -1.998 60 HH TYR 7 HH TYR 7 1.000 -2.882 -4.083 61 H CYS 8 H CYS 8 -3.363 -5.441 1.906 62 HA CYS 8 HA CYS 8 -4.706 -7.601 3.493 63 1HB CYS 8 1HB CYS 8 -3.953 -6.545 5.516 64 2HB CYS 8 2HB CYS 8 -2.535 -6.757 4.497 65 H GLU 9 H GLU 9 -5.672 -5.775 5.436 66 HA GLU 9 HA GLU 9 -7.805 -4.377 3.875 67 1HB GLU 9 1HB GLU 9 -7.789 -5.415 6.740 68 2HB GLU 9 2HB GLU 9 -9.154 -4.616 5.979 69 1HG GLU 9 2HG GLU 9 -9.234 -6.422 4.245 70 2HG GLU 9 1HG GLU 9 -7.898 -7.240 5.039 71 H PHE 10 H PHE 10 -5.674 -2.936 3.852 72 HA PHE 10 HA PHE 10 -5.859 -0.911 6.060 73 1HB PHE 10 1HB PHE 10 -3.598 -1.908 5.697 74 2HB PHE 10 2HB PHE 10 -3.590 -1.316 4.047 75 HD1 PHE 10 HD1 PHE 10 -3.594 -0.296 7.610 76 HD2 PHE 10 HD2 PHE 10 -3.182 1.051 3.593 77 HE1 PHE 10 HE1 PHE 10 -2.772 1.866 8.420 78 HE2 PHE 10 HE2 PHE 10 -2.365 3.239 4.424 79 HZ PHE 10 HZ PHE 10 -2.165 3.637 6.819 80 H ARG 11 H ARG 11 -6.955 0.793 5.586 81 HA ARG 11 HA ARG 11 -6.948 1.977 2.847 82 1HB ARG 11 1HB ARG 11 -9.412 2.510 3.229 83 2HB ARG 11 2HB ARG 11 -9.040 0.811 3.045 84 1HG ARG 11 2HG ARG 11 -9.027 0.607 5.577 85 2HG ARG 11 1HG ARG 11 -9.683 2.235 5.637 86 1HD ARG 11 2HD ARG 11 -11.656 1.579 4.341 87 2HD ARG 11 1HD ARG 11 -10.987 -0.011 4.027 88 HE ARG 11 HE ARG 11 -12.603 -0.107 5.915 89 1HH1 ARG 11 1HH1 ARG 11 -9.833 -1.171 6.716 90 2HH1 ARG 11 2HH1 ARG 11 -9.699 -0.510 8.308 91 1HH2 ARG 11 1HH2 ARG 11 -12.303 1.776 7.820 92 2HH2 ARG 11 2HH2 ARG 11 -11.118 1.198 8.945 93 H SER 12 H SER 12 -6.051 3.878 3.014 94 HA SER 12 HA SER 12 -6.638 5.677 5.315 95 1HB SER 12 2HB SER 12 -3.929 4.748 4.318 96 2HB SER 12 1HB SER 12 -4.029 6.119 5.374 97 HG SER 12 HG SER 12 -4.548 3.465 5.886 98 H ALA 13 H ALA 13 -5.498 7.919 4.778 99 HA ALA 13 HA ALA 13 -5.990 8.514 1.871 100 1HB ALA 13 1HB ALA 13 -7.001 10.665 2.604 101 2HB ALA 13 2HB ALA 13 -6.766 10.215 4.287 102 3HB ALA 13 3HB ALA 13 -7.879 9.304 3.282 103 H ASP 14 H ASP 14 -3.519 7.866 3.001 104 HA ASP 14 HA ASP 14 -2.043 10.424 2.563 105 1HB ASP 14 1HB ASP 14 -2.160 9.665 5.093 106 2HB ASP 14 2HB ASP 14 -1.101 8.379 4.622 107 H SER 15 H SER 15 -1.705 9.623 0.394 108 HA SER 15 HA SER 15 -0.776 7.149 -0.395 109 1HB SER 15 2HB SER 15 -1.195 9.084 -1.993 110 2HB SER 15 1HB SER 15 0.302 9.843 -1.430 111 HG SER 15 HG SER 15 0.758 7.259 -2.015 112 H SER 16 H SER 16 1.366 9.786 0.656 113 HA SER 16 HA SER 16 3.847 8.553 0.485 114 1HB SER 16 2HB SER 16 2.903 10.404 2.742 115 2HB SER 16 1HB SER 16 4.588 10.086 2.309 116 HG SER 16 HG SER 16 2.874 11.753 1.171 117 H ASN 17 H ASN 17 1.508 8.193 3.167 118 HA ASN 17 HA ASN 17 3.292 6.426 4.638 119 1HB ASN 17 1HB ASN 17 1.566 7.814 5.801 120 2HB ASN 17 2HB ASN 17 0.304 6.934 4.953 121 1HD2 ASN 17 2HD2 ASN 17 -0.584 5.303 6.173 122 2HD2 ASN 17 1HD2 ASN 17 0.233 4.418 7.369 123 H LEU 18 H LEU 18 0.357 5.982 2.659 124 HA LEU 18 HA LEU 18 0.050 3.238 2.933 125 1HB LEU 18 1HB LEU 18 -1.553 4.721 1.703 126 2HB LEU 18 2HB LEU 18 -0.377 4.928 0.409 127 HG LEU 18 HG LEU 18 -0.513 2.498 -0.128 128 1HD1 LEU 18 1HD1 LEU 18 -2.259 1.105 0.942 129 2HD1 LEU 18 2HD1 LEU 18 -2.679 2.434 2.015 130 3HD1 LEU 18 3HD1 LEU 18 -1.114 1.646 2.155 131 1HD2 LEU 18 1HD2 LEU 18 -2.819 2.528 -1.015 132 2HD2 LEU 18 2HD2 LEU 18 -2.070 4.104 -1.209 133 3HD2 LEU 18 3HD2 LEU 18 -3.229 3.828 0.093 134 H LYS 19 H LYS 19 2.101 4.814 0.471 135 HA LYS 19 HA LYS 19 2.982 2.372 -0.698 136 1HB LYS 19 1HB LYS 19 4.947 3.714 -1.561 137 2HB LYS 19 2HB LYS 19 3.430 4.555 -1.789 138 1HG LYS 19 2HG LYS 19 3.859 5.986 0.146 139 2HG LYS 19 1HG LYS 19 5.307 5.101 0.566 140 1HD LYS 19 2HD LYS 19 5.971 7.154 -0.491 141 2HD LYS 19 1HD LYS 19 6.407 5.802 -1.511 142 1HE LYS 19 2HE LYS 19 3.845 7.375 -1.967 143 2HE LYS 19 1HE LYS 19 5.375 7.834 -2.695 144 1HZ LYS 19 1HZ LYS 19 5.020 5.107 -3.119 145 2HZ LYS 19 2HZ LYS 19 5.038 6.362 -4.258 146 3HZ LYS 19 3HZ LYS 19 3.572 5.886 -3.543 147 H THR 20 H THR 20 4.363 4.223 1.989 148 HA THR 20 HA THR 20 6.585 2.473 2.388 149 HB THR 20 HB THR 20 5.060 4.221 4.476 150 HG1 THR 20 HG1 THR 20 5.728 5.584 2.938 151 1HG2 THR 20 1HG2 THR 20 6.921 2.636 5.383 152 2HG2 THR 20 2HG2 THR 20 7.301 4.342 5.560 153 3HG2 THR 20 3HG2 THR 20 8.026 3.407 4.262 154 H HIS 21 H HIS 21 3.307 2.460 3.718 155 HA HIS 21 HA HIS 21 3.500 0.251 5.447 156 1HB HIS 21 1HB HIS 21 1.426 1.492 5.481 157 2HB HIS 21 2HB HIS 21 1.196 1.371 3.753 158 HD1 HIS 21 HD1 HIS 21 0.856 -0.736 6.820 159 HD2 HIS 21 HD2 HIS 21 0.089 -0.978 2.817 160 HE1 HIS 21 HE1 HIS 21 -0.491 -2.786 6.493 161 H ILE 22 H ILE 22 2.490 0.271 2.007 162 HA ILE 22 HA ILE 22 2.292 -2.406 1.476 163 HB ILE 22 HB ILE 22 3.382 -0.151 -0.276 164 1HG1 ILE 22 2HG1 ILE 22 0.679 -1.565 -0.148 165 2HG1 ILE 22 1HG1 ILE 22 0.996 -0.020 0.587 166 1HG2 ILE 22 1HG2 ILE 22 2.974 -1.656 -2.229 167 2HG2 ILE 22 2HG2 ILE 22 2.554 -2.965 -1.138 168 3HG2 ILE 22 3HG2 ILE 22 4.191 -2.342 -1.185 169 1HD1 ILE 22 1HD ILE 22 1.161 -0.572 -2.402 170 2HD1 ILE 22 2HD ILE 22 1.494 0.971 -1.637 171 3HD1 ILE 22 3HD ILE 22 -0.120 0.293 -1.577 172 H LYS 23 H LYS 23 5.392 -0.588 1.265 173 HA LYS 23 HA LYS 23 6.895 -2.934 0.614 174 1HB LYS 23 1HB LYS 23 7.676 -0.296 1.911 175 2HB LYS 23 2HB LYS 23 8.871 -1.514 1.512 176 1HG LYS 23 2HG LYS 23 6.902 -0.361 -0.524 177 2HG LYS 23 1HG LYS 23 8.498 0.303 -0.249 178 1HD LYS 23 2HD LYS 23 9.601 -1.704 -0.974 179 2HD LYS 23 1HD LYS 23 8.131 -2.652 -0.964 180 1HE LYS 23 2HE LYS 23 8.685 -0.314 -2.830 181 2HE LYS 23 1HE LYS 23 8.747 -2.014 -3.262 182 1HZ LYS 23 1HZ LYS 23 6.592 -1.964 -3.634 183 2HZ LYS 23 2HZ LYS 23 6.526 -0.326 -3.186 184 3HZ LYS 23 3HZ LYS 23 6.294 -1.534 -2.019 185 H THR 24 H THR 24 6.566 -1.315 3.729 186 HA THR 24 HA THR 24 8.017 -3.023 5.365 187 HB THR 24 HB THR 24 5.497 -1.429 6.089 188 HG1 THR 24 HG1 THR 24 6.944 -0.213 5.074 189 1HG2 THR 24 1HG2 THR 24 6.622 -1.237 8.298 190 2HG2 THR 24 2HG2 THR 24 8.031 -2.106 7.719 191 3HG2 THR 24 3HG2 THR 24 6.515 -2.954 7.974 192 H LYS 25 H LYS 25 4.575 -3.360 4.678 193 HA LYS 25 HA LYS 25 4.423 -5.877 6.217 194 1HB LYS 25 1HB LYS 25 2.337 -4.104 4.927 195 2HB LYS 25 2HB LYS 25 1.922 -5.695 5.544 196 1HG LYS 25 2HG LYS 25 1.414 -4.195 7.298 197 2HG LYS 25 1HG LYS 25 2.924 -4.944 7.772 198 1HD LYS 25 2HD LYS 25 4.206 -2.993 7.072 199 2HD LYS 25 1HD LYS 25 2.779 -2.225 6.401 200 1HE LYS 25 2HE LYS 25 3.212 -2.932 9.337 201 2HE LYS 25 1HE LYS 25 3.350 -1.321 8.647 202 1HZ LYS 25 1HZ LYS 25 1.203 -1.053 8.908 203 2HZ LYS 25 2HZ LYS 25 1.059 -2.609 9.569 204 3HZ LYS 25 3HZ LYS 25 0.875 -2.376 7.896 205 H HIS 26 H HIS 26 4.230 -4.822 2.897 206 HA HIS 26 HA HIS 26 3.883 -7.657 2.031 207 1HB HIS 26 1HB HIS 26 3.097 -5.156 0.445 208 2HB HIS 26 2HB HIS 26 2.610 -6.810 0.163 209 HD1 HIS 26 HD1 HIS 26 1.456 -7.786 2.619 210 HD2 HIS 26 HD2 HIS 26 1.032 -3.819 1.753 211 HE1 HIS 26 HE1 HIS 26 -0.455 -6.981 3.953 212 H SER 27 H SER 27 6.091 -7.675 2.490 213 HA SER 27 HA SER 27 8.042 -6.349 0.742 214 1HB SER 27 2HB SER 27 8.427 -8.624 2.767 215 2HB SER 27 1HB SER 27 9.709 -7.631 2.059 216 HG SER 27 HG SER 27 8.013 -5.906 3.032 217 H LYS 28 H LYS 28 7.009 -7.100 -1.130 218 HA LYS 28 HA LYS 28 7.665 -8.317 -3.138 219 1HB LYS 28 1HB LYS 28 7.446 -10.807 -1.337 220 2HB LYS 28 2HB LYS 28 7.548 -10.880 -3.072 221 1HG LYS 28 2HG LYS 28 9.761 -9.874 -3.099 222 2HG LYS 28 1HG LYS 28 9.761 -9.646 -1.370 223 1HD LYS 28 2HD LYS 28 9.655 -12.324 -2.841 224 2HD LYS 28 1HD LYS 28 11.045 -11.677 -1.998 225 1HE LYS 28 2HE LYS 28 9.657 -11.723 0.159 226 2HE LYS 28 1HE LYS 28 8.415 -12.587 -0.744 227 1HZ LYS 28 1HZ LYS 28 9.496 -14.443 -0.423 228 2HZ LYS 28 2HZ LYS 28 10.705 -13.619 0.439 229 3HZ LYS 28 3HZ LYS 28 10.859 -13.840 -1.238 230 H GLU 29 H GLU 29 5.682 -10.022 -0.911 231 HA GLU 29 HA GLU 29 3.584 -11.117 -1.917 232 1HB GLU 29 1HB GLU 29 3.833 -10.505 0.466 233 2HB GLU 29 2HB GLU 29 3.260 -8.888 0.123 234 1HG GLU 29 2HG GLU 29 1.076 -9.934 -0.727 235 2HG GLU 29 1HG GLU 29 1.684 -11.486 -0.177 236 H LYS 30 H LYS 30 2.147 -10.945 -3.411 237 HA LYS 30 HA LYS 30 1.171 -8.259 -4.301 238 1HB LYS 30 1HB LYS 30 0.901 -9.306 -6.570 239 2HB LYS 30 2HB LYS 30 2.569 -9.278 -6.030 240 1HG LYS 30 2HG LYS 30 2.457 -11.648 -5.365 241 2HG LYS 30 1HG LYS 30 0.747 -11.701 -5.755 242 1HD LYS 30 2HD LYS 30 1.218 -11.290 -8.127 243 2HD LYS 30 1HD LYS 30 2.917 -11.015 -7.788 244 1HE LYS 30 2HE LYS 30 2.542 -13.310 -8.685 245 2HE LYS 30 1HE LYS 30 3.171 -13.374 -7.047 246 1HZ LYS 30 1HZ LYS 30 0.810 -14.465 -8.034 247 2HZ LYS 30 2HZ LYS 30 0.380 -13.256 -6.920 248 3HZ LYS 30 3HZ LYS 30 1.413 -14.517 -6.450 Start of MODEL 17 1 1H LYS 1 1H LYS 1 -6.595 12.971 -0.754 2 2H LYS 1 2H LYS 1 -5.853 11.956 -1.913 3 3H LYS 1 3H LYS 1 -5.881 11.500 -0.300 4 HA LYS 1 HA LYS 1 -8.525 11.914 -0.948 5 1HB LYS 1 2HB LYS 1 -7.124 10.202 -3.077 6 2HB LYS 1 1HB LYS 1 -8.846 10.487 -2.951 7 1HG LYS 1 2HG LYS 1 -8.485 12.918 -3.329 8 2HG LYS 1 1HG LYS 1 -6.761 12.634 -3.506 9 1HD LYS 1 2HD LYS 1 -7.238 11.070 -5.414 10 2HD LYS 1 1HD LYS 1 -8.946 11.452 -5.265 11 1HE LYS 1 2HE LYS 1 -8.472 13.844 -5.722 12 2HE LYS 1 1HE LYS 1 -6.752 13.482 -5.849 13 1HZ LYS 1 1HZ LYS 1 -8.149 11.736 -7.523 14 2HZ LYS 1 2HZ LYS 1 -7.049 12.958 -7.944 15 3HZ LYS 1 3HZ LYS 1 -8.704 13.314 -7.821 16 H THR 2 H THR 2 -9.252 9.276 -1.466 17 HA THR 2 HA THR 2 -8.133 7.879 0.932 18 HB THR 2 HB THR 2 -10.283 6.470 0.701 19 HG1 THR 2 HG1 THR 2 -11.534 8.301 -0.827 20 1HG2 THR 2 1HG2 THR 2 -10.744 9.500 0.844 21 2HG2 THR 2 2HG2 THR 2 -10.225 8.525 2.207 22 3HG2 THR 2 3HG2 THR 2 -11.812 8.269 1.504 23 H TYR 3 H TYR 3 -6.884 6.236 0.590 24 HA TYR 3 HA TYR 3 -6.817 4.851 -2.047 25 1HB TYR 3 1HB TYR 3 -4.511 5.367 -0.142 26 2HB TYR 3 2HB TYR 3 -4.407 4.728 -1.776 27 HD1 TYR 3 HD1 TYR 3 -5.578 6.395 -3.620 28 HD2 TYR 3 HD2 TYR 3 -4.063 7.624 0.173 29 HE1 TYR 3 HE1 TYR 3 -5.406 8.701 -4.424 30 HE2 TYR 3 HE2 TYR 3 -3.899 9.924 -0.641 31 HH TYR 3 HH TYR 3 -4.870 10.785 -3.955 32 H GLN 4 H GLN 4 -6.520 2.664 -2.005 33 HA GLN 4 HA GLN 4 -6.819 1.292 0.638 34 1HB GLN 4 1HB GLN 4 -8.906 1.105 -0.551 35 2HB GLN 4 2HB GLN 4 -8.105 0.801 -2.072 36 1HG GLN 4 2HG GLN 4 -9.165 -1.248 -1.122 37 2HG GLN 4 1HG GLN 4 -7.446 -1.449 -1.347 38 1HE2 GLN 4 1HE2 GLN 4 -9.302 0.124 1.363 39 2HE2 GLN 4 2HE2 GLN 4 -8.623 -0.885 2.543 40 H CYS 5 H CYS 5 -5.805 -0.637 0.936 41 HA CYS 5 HA CYS 5 -3.274 -1.008 -0.485 42 1HB CYS 5 1HB CYS 5 -3.387 -1.091 1.955 43 2HB CYS 5 2HB CYS 5 -4.569 -2.401 1.885 44 H GLN 6 H GLN 6 -2.629 -3.131 -1.293 45 HA GLN 6 HA GLN 6 -4.935 -4.715 -2.392 46 1HB GLN 6 1HB GLN 6 -2.201 -4.173 -3.629 47 2HB GLN 6 2HB GLN 6 -3.456 -5.146 -4.368 48 1HG GLN 6 2HG GLN 6 -3.702 -2.173 -3.689 49 2HG GLN 6 1HG GLN 6 -3.460 -2.837 -5.294 50 1HE2 GLN 6 2HE2 GLN 6 -5.849 -1.744 -3.208 51 2HE2 GLN 6 1HE2 GLN 6 -7.186 -2.517 -3.913 52 H TYR 7 H TYR 7 -3.777 -5.187 0.088 53 HA TYR 7 HA TYR 7 -2.796 -7.970 -0.301 54 1HB TYR 7 1HB TYR 7 -1.527 -5.938 1.550 55 2HB TYR 7 2HB TYR 7 -1.049 -7.628 1.414 56 HD1 TYR 7 HD1 TYR 7 0.113 -8.423 -0.682 57 HD2 TYR 7 HD2 TYR 7 -0.895 -4.324 -0.102 58 HE1 TYR 7 HE1 TYR 7 1.635 -7.782 -2.492 59 HE2 TYR 7 HE2 TYR 7 0.613 -3.694 -1.900 60 HH TYR 7 HH TYR 7 1.609 -4.621 -3.789 61 H CYS 8 H CYS 8 -3.538 -5.568 2.149 62 HA CYS 8 HA CYS 8 -5.223 -7.549 3.633 63 1HB CYS 8 1HB CYS 8 -4.564 -6.437 5.674 64 2HB CYS 8 2HB CYS 8 -3.097 -6.768 4.761 65 H GLU 9 H GLU 9 -6.144 -5.392 5.384 66 HA GLU 9 HA GLU 9 -8.341 -4.358 3.685 67 1HB GLU 9 1HB GLU 9 -7.935 -4.394 6.713 68 2HB GLU 9 2HB GLU 9 -9.353 -3.738 5.931 69 1HG GLU 9 2HG GLU 9 -9.854 -5.989 6.738 70 2HG GLU 9 1HG GLU 9 -9.878 -5.987 4.991 71 H PHE 10 H PHE 10 -5.697 -3.288 5.595 72 HA PHE 10 HA PHE 10 -5.731 -0.781 6.284 73 1HB PHE 10 1HB PHE 10 -3.628 -2.028 5.837 74 2HB PHE 10 2HB PHE 10 -3.720 -1.596 4.137 75 HD1 PHE 10 HD1 PHE 10 -3.201 -0.332 7.560 76 HD2 PHE 10 HD2 PHE 10 -3.255 0.746 3.436 77 HE1 PHE 10 HE1 PHE 10 -2.141 1.809 8.103 78 HE2 PHE 10 HE2 PHE 10 -2.194 2.907 4.002 79 HZ PHE 10 HZ PHE 10 -1.643 3.430 6.315 80 H ARG 11 H ARG 11 -6.804 0.891 5.753 81 HA ARG 11 HA ARG 11 -6.876 1.905 2.939 82 1HB ARG 11 1HB ARG 11 -9.207 2.658 3.270 83 2HB ARG 11 2HB ARG 11 -9.149 0.950 3.606 84 1HG ARG 11 2HG ARG 11 -9.099 3.057 5.822 85 2HG ARG 11 1HG ARG 11 -10.549 2.344 5.190 86 1HD ARG 11 2HD ARG 11 -10.105 0.209 6.036 87 2HD ARG 11 1HD ARG 11 -8.397 0.488 6.282 88 HE ARG 11 HE ARG 11 -10.552 1.789 7.899 89 1HH1 ARG 11 2HH1 ARG 11 -7.388 2.377 7.577 90 2HH1 ARG 11 1HH1 ARG 11 -6.884 1.828 9.136 91 1HH2 ARG 11 1HH2 ARG 11 -9.937 0.298 9.862 92 2HH2 ARG 11 2HH2 ARG 11 -8.344 0.638 10.451 93 H SER 12 H SER 12 -6.141 3.948 2.889 94 HA SER 12 HA SER 12 -6.140 5.617 5.338 95 1HB SER 12 2HB SER 12 -3.668 4.562 3.927 96 2HB SER 12 1HB SER 12 -3.509 5.964 4.932 97 HG SER 12 HG SER 12 -5.049 4.196 6.225 98 H ALA 13 H ALA 13 -5.179 7.782 4.919 99 HA ALA 13 HA ALA 13 -5.782 8.695 2.135 100 1HB ALA 13 1HB ALA 13 -6.803 10.740 3.157 101 2HB ALA 13 2HB ALA 13 -6.478 10.103 4.763 102 3HB ALA 13 3HB ALA 13 -7.638 9.300 3.714 103 H ASP 14 H ASP 14 -3.340 7.919 3.393 104 HA ASP 14 HA ASP 14 -1.771 10.458 3.143 105 1HB ASP 14 1HB ASP 14 -1.933 9.488 5.561 106 2HB ASP 14 2HB ASP 14 -1.017 8.137 4.989 107 H SER 15 H SER 15 -1.678 9.783 0.919 108 HA SER 15 HA SER 15 -0.921 7.392 -0.184 109 1HB SER 15 2HB SER 15 -1.334 9.543 -1.490 110 2HB SER 15 1HB SER 15 0.260 10.128 -0.992 111 HG SER 15 HG SER 15 0.994 8.993 -2.571 112 H SER 16 H SER 16 1.433 9.751 1.031 113 HA SER 16 HA SER 16 3.803 8.343 0.560 114 1HB SER 16 2HB SER 16 3.165 9.987 3.081 115 2HB SER 16 1HB SER 16 4.776 9.635 2.443 116 HG SER 16 HG SER 16 3.187 10.560 0.481 117 H ASN 17 H ASN 17 1.784 8.195 3.512 118 HA ASN 17 HA ASN 17 3.196 6.149 4.814 119 1HB ASN 17 1HB ASN 17 1.351 7.610 5.783 120 2HB ASN 17 2HB ASN 17 0.208 6.616 4.887 121 1HD2 ASN 17 2HD2 ASN 17 3.018 5.077 6.415 122 2HD2 ASN 17 1HD2 ASN 17 2.116 4.303 7.625 123 H LEU 18 H LEU 18 0.385 5.892 2.652 124 HA LEU 18 HA LEU 18 0.050 3.115 2.822 125 1HB LEU 18 1HB LEU 18 -1.612 4.548 1.703 126 2HB LEU 18 2HB LEU 18 -0.439 5.014 0.472 127 HG LEU 18 HG LEU 18 -0.407 2.713 -0.423 128 1HD1 LEU 18 1HD1 LEU 18 -1.973 0.985 0.466 129 2HD1 LEU 18 2HD1 LEU 18 -2.468 2.079 1.746 130 3HD1 LEU 18 3HD1 LEU 18 -0.831 1.442 1.713 131 1HD2 LEU 18 1HD2 LEU 18 -2.731 2.622 -1.252 132 2HD2 LEU 18 2HD2 LEU 18 -2.146 4.276 -1.238 133 3HD2 LEU 18 3HD2 LEU 18 -3.231 3.712 0.029 134 H LYS 19 H LYS 19 2.079 4.806 0.409 135 HA LYS 19 HA LYS 19 2.906 2.371 -0.854 136 1HB LYS 19 1HB LYS 19 4.801 4.763 -0.417 137 2HB LYS 19 2HB LYS 19 4.856 3.608 -1.733 138 1HG LYS 19 2HG LYS 19 2.569 4.525 -2.463 139 2HG LYS 19 1HG LYS 19 2.816 5.802 -1.287 140 1HD LYS 19 2HD LYS 19 5.114 6.219 -2.442 141 2HD LYS 19 1HD LYS 19 4.519 5.185 -3.726 142 1HE LYS 19 2HE LYS 19 4.036 7.490 -4.339 143 2HE LYS 19 1HE LYS 19 2.505 6.732 -3.924 144 1HZ LYS 19 1HZ LYS 19 3.640 7.754 -1.582 145 2HZ LYS 19 2HZ LYS 19 2.213 8.223 -2.371 146 3HZ LYS 19 3HZ LYS 19 3.686 8.972 -2.767 147 H THR 20 H THR 20 4.406 4.174 1.816 148 HA THR 20 HA THR 20 6.514 2.404 2.348 149 HB THR 20 HB THR 20 4.770 3.868 4.467 150 HG1 THR 20 HG1 THR 20 7.036 5.078 3.726 151 1HG2 THR 20 1HG2 THR 20 7.763 3.187 4.446 152 2HG2 THR 20 2HG2 THR 20 6.583 2.278 5.375 153 3HG2 THR 20 3HG2 THR 20 6.882 3.966 5.750 154 H HIS 21 H HIS 21 3.271 2.320 3.766 155 HA HIS 21 HA HIS 21 3.281 0.026 5.255 156 1HB HIS 21 1HB HIS 21 1.314 1.471 5.097 157 2HB HIS 21 2HB HIS 21 1.096 1.113 3.404 158 HD1 HIS 21 HD1 HIS 21 0.608 -0.505 6.722 159 HD2 HIS 21 HD2 HIS 21 -0.108 -1.267 2.772 160 HE1 HIS 21 HE1 HIS 21 -0.867 -2.491 6.652 161 H ILE 22 H ILE 22 2.412 0.101 1.757 162 HA ILE 22 HA ILE 22 2.326 -2.666 1.374 163 HB ILE 22 HB ILE 22 3.112 -0.433 -0.553 164 1HG1 ILE 22 2HG1 ILE 22 0.519 -2.002 -0.156 165 2HG1 ILE 22 1HG1 ILE 22 0.802 -0.393 0.469 166 1HG2 ILE 22 1HG2 ILE 22 2.495 -3.351 -1.160 167 2HG2 ILE 22 2HG2 ILE 22 4.035 -2.577 -1.399 168 3HG2 ILE 22 3HG2 ILE 22 2.672 -2.098 -2.383 169 1HD1 ILE 22 1HD ILE 22 0.776 -1.142 -2.483 170 2HD1 ILE 22 2HD ILE 22 1.099 0.465 -1.845 171 3HD1 ILE 22 3HD ILE 22 -0.477 -0.274 -1.619 172 H LYS 23 H LYS 23 5.240 -0.600 1.211 173 HA LYS 23 HA LYS 23 6.885 -2.901 0.483 174 1HB LYS 23 1HB LYS 23 7.658 -0.047 1.162 175 2HB LYS 23 2HB LYS 23 8.734 -1.239 0.463 176 1HG LYS 23 2HG LYS 23 6.167 -0.215 -0.851 177 2HG LYS 23 1HG LYS 23 7.793 0.267 -1.282 178 1HD LYS 23 2HD LYS 23 8.354 -2.024 -1.986 179 2HD LYS 23 1HD LYS 23 6.777 -2.609 -1.493 180 1HE LYS 23 2HE LYS 23 7.208 -0.533 -3.661 181 2HE LYS 23 1HE LYS 23 6.851 -2.235 -3.930 182 1HZ LYS 23 1HZ LYS 23 4.726 -1.802 -3.704 183 2HZ LYS 23 2HZ LYS 23 5.065 -0.156 -3.460 184 3HZ LYS 23 3HZ LYS 23 4.979 -1.205 -2.132 185 H THR 24 H THR 24 5.950 -1.658 3.503 186 HA THR 24 HA THR 24 8.284 -2.973 4.845 187 HB THR 24 HB THR 24 7.881 -0.506 5.372 188 HG1 THR 24 HG1 THR 24 8.706 -1.148 7.169 189 1HG2 THR 24 1HG2 THR 24 6.013 0.043 6.887 190 2HG2 THR 24 2HG2 THR 24 5.468 -1.622 6.902 191 3HG2 THR 24 3HG2 THR 24 5.296 -0.654 5.448 192 H LYS 25 H LYS 25 4.951 -3.226 4.267 193 HA LYS 25 HA LYS 25 4.544 -5.294 6.371 194 1HB LYS 25 1HB LYS 25 2.483 -3.727 4.745 195 2HB LYS 25 2HB LYS 25 2.090 -4.900 5.986 196 1HG LYS 25 2HG LYS 25 3.502 -2.232 6.366 197 2HG LYS 25 1HG LYS 25 1.869 -2.629 6.833 198 1HD LYS 25 2HD LYS 25 2.727 -4.356 8.431 199 2HD LYS 25 1HD LYS 25 4.373 -3.893 8.021 200 1HE LYS 25 2HE LYS 25 3.681 -2.736 10.074 201 2HE LYS 25 1HE LYS 25 3.914 -1.563 8.786 202 1HZ LYS 25 1HZ LYS 25 1.262 -2.471 8.708 203 2HZ LYS 25 2HZ LYS 25 1.842 -0.910 9.040 204 3HZ LYS 25 3HZ LYS 25 1.629 -2.022 10.305 205 H HIS 26 H HIS 26 4.082 -4.506 2.977 206 HA HIS 26 HA HIS 26 3.744 -7.423 2.390 207 1HB HIS 26 1HB HIS 26 2.672 -5.046 0.823 208 2HB HIS 26 2HB HIS 26 2.307 -6.735 0.545 209 HD1 HIS 26 HD1 HIS 26 1.391 -7.717 3.170 210 HD2 HIS 26 HD2 HIS 26 0.632 -3.865 2.041 211 HE1 HIS 26 HE1 HIS 26 -0.551 -6.969 4.518 212 H SER 27 H SER 27 3.964 -5.540 -0.290 213 HA SER 27 HA SER 27 5.786 -4.690 -1.620 214 1HB SER 27 2HB SER 27 7.406 -7.072 -0.496 215 2HB SER 27 1HB SER 27 7.978 -5.922 -1.703 216 HG SER 27 HG SER 27 8.355 -4.570 -0.172 217 H LYS 28 H LYS 28 6.772 -5.737 -3.508 218 HA LYS 28 HA LYS 28 6.920 -7.556 -5.103 219 1HB LYS 28 1HB LYS 28 5.373 -9.145 -4.011 220 2HB LYS 28 2HB LYS 28 4.010 -8.097 -4.274 221 1HG LYS 28 2HG LYS 28 3.951 -9.881 -5.914 222 2HG LYS 28 1HG LYS 28 4.304 -8.395 -6.763 223 1HD LYS 28 2HD LYS 28 6.826 -9.069 -6.511 224 2HD LYS 28 1HD LYS 28 6.227 -10.626 -5.973 225 1HE LYS 28 2HE LYS 28 6.713 -10.669 -8.391 226 2HE LYS 28 1HE LYS 28 4.987 -10.879 -8.130 227 1HZ LYS 28 1HZ LYS 28 6.290 -8.917 -9.616 228 2HZ LYS 28 2HZ LYS 28 5.545 -8.134 -8.306 229 3HZ LYS 28 3HZ LYS 28 4.622 -9.100 -9.352 230 H GLU 29 H GLU 29 3.768 -6.019 -4.965 231 HA GLU 29 HA GLU 29 4.454 -4.477 -7.436 232 1HB GLU 29 1HB GLU 29 2.270 -4.909 -8.436 233 2HB GLU 29 2HB GLU 29 3.013 -6.438 -8.081 234 1HG GLU 29 2HG GLU 29 0.987 -5.272 -6.141 235 2HG GLU 29 1HG GLU 29 0.464 -6.102 -7.584 236 H LYS 30 H LYS 30 1.588 -3.455 -7.355 237 HA LYS 30 HA LYS 30 2.066 -1.371 -5.270 238 1HB LYS 30 1HB LYS 30 0.495 0.006 -6.537 239 2HB LYS 30 2HB LYS 30 1.706 -0.621 -7.639 240 1HG LYS 30 2HG LYS 30 0.171 -2.330 -8.477 241 2HG LYS 30 1HG LYS 30 -1.031 -1.934 -7.263 242 1HD LYS 30 2HD LYS 30 -1.110 0.424 -8.241 243 2HD LYS 30 1HD LYS 30 -0.095 -0.158 -9.546 244 1HE LYS 30 2HE LYS 30 -1.800 -1.820 -10.185 245 2HE LYS 30 1HE LYS 30 -2.798 -1.367 -8.809 246 1HZ LYS 30 1HZ LYS 30 -2.160 0.944 -10.256 247 2HZ LYS 30 2HZ LYS 30 -3.678 0.232 -10.001 248 3HZ LYS 30 3HZ LYS 30 -2.736 -0.228 -11.341 Start of MODEL 18 1 1H LYS 1 1H LYS 1 -10.207 9.093 -2.731 2 2H LYS 1 2H LYS 1 -10.759 10.524 -3.461 3 3H LYS 1 3H LYS 1 -11.869 9.327 -2.985 4 HA LYS 1 HA LYS 1 -10.887 11.495 -1.503 5 1HB LYS 1 2HB LYS 1 -13.233 10.576 -1.589 6 2HB LYS 1 1HB LYS 1 -12.683 9.145 -0.733 7 1HG LYS 1 2HG LYS 1 -12.150 10.464 1.265 8 2HG LYS 1 1HG LYS 1 -12.422 11.967 0.403 9 1HD LYS 1 2HD LYS 1 -14.362 11.417 1.837 10 2HD LYS 1 1HD LYS 1 -14.828 11.438 0.152 11 1HE LYS 1 2HE LYS 1 -14.671 8.938 0.080 12 2HE LYS 1 1HE LYS 1 -14.209 8.935 1.779 13 1HZ LYS 1 1HZ LYS 1 -16.542 10.446 1.506 14 2HZ LYS 1 2HZ LYS 1 -16.332 8.961 2.298 15 3HZ LYS 1 3HZ LYS 1 -16.762 8.995 0.655 16 H THR 2 H THR 2 -10.673 8.002 -0.973 17 HA THR 2 HA THR 2 -8.387 8.430 0.927 18 HB THR 2 HB THR 2 -9.157 6.274 2.048 19 HG1 THR 2 HG1 THR 2 -10.461 5.128 0.881 20 1HG2 THR 2 1HG2 THR 2 -10.218 8.486 2.828 21 2HG2 THR 2 2HG2 THR 2 -11.281 7.098 3.008 22 3HG2 THR 2 3HG2 THR 2 -11.511 8.210 1.669 23 H TYR 3 H TYR 3 -7.039 6.329 1.047 24 HA TYR 3 HA TYR 3 -6.583 5.253 -1.717 25 1HB TYR 3 1HB TYR 3 -4.474 5.639 0.453 26 2HB TYR 3 2HB TYR 3 -4.217 5.337 -1.260 27 HD1 TYR 3 HD1 TYR 3 -5.396 7.195 -2.867 28 HD2 TYR 3 HD2 TYR 3 -4.242 7.820 1.179 29 HE1 TYR 3 HE1 TYR 3 -5.322 9.617 -3.256 30 HE2 TYR 3 HE2 TYR 3 -4.151 10.240 0.786 31 HH TYR 3 HH TYR 3 -5.273 11.657 -2.206 32 H GLN 4 H GLN 4 -6.083 3.016 -1.799 33 HA GLN 4 HA GLN 4 -6.475 1.491 0.751 34 1HB GLN 4 1HB GLN 4 -8.536 1.485 -0.525 35 2HB GLN 4 2HB GLN 4 -7.692 1.031 -1.983 36 1HG GLN 4 2HG GLN 4 -8.920 -0.889 -1.018 37 2HG GLN 4 1HG GLN 4 -7.201 -1.204 -1.043 38 1HE2 GLN 4 2HE2 GLN 4 -6.770 -2.410 0.779 39 2HE2 GLN 4 1HE2 GLN 4 -7.315 -2.059 2.346 40 H CYS 5 H CYS 5 -5.537 -0.470 0.966 41 HA CYS 5 HA CYS 5 -2.955 -0.838 -0.297 42 1HB CYS 5 1HB CYS 5 -3.314 -1.224 2.088 43 2HB CYS 5 2HB CYS 5 -4.510 -2.471 1.737 44 H GLN 6 H GLN 6 -2.288 -2.924 -1.141 45 HA GLN 6 HA GLN 6 -4.381 -4.199 -2.858 46 1HB GLN 6 1HB GLN 6 -1.651 -3.149 -3.355 47 2HB GLN 6 2HB GLN 6 -1.889 -4.725 -4.057 48 1HG GLN 6 2HG GLN 6 -3.763 -2.362 -4.509 49 2HG GLN 6 1HG GLN 6 -2.468 -2.831 -5.605 50 1HE2 GLN 6 1HE2 GLN 6 -5.745 -3.208 -5.151 51 2HE2 GLN 6 2HE2 GLN 6 -5.967 -4.688 -5.955 52 H TYR 7 H TYR 7 -3.304 -4.918 -0.098 53 HA TYR 7 HA TYR 7 -2.891 -7.805 -0.720 54 1HB TYR 7 1HB TYR 7 -1.255 -6.198 1.276 55 2HB TYR 7 2HB TYR 7 -1.052 -7.909 0.935 56 HD1 TYR 7 HD1 TYR 7 -0.503 -8.569 -1.529 57 HD2 TYR 7 HD2 TYR 7 -0.167 -4.572 -0.082 58 HE1 TYR 7 HE1 TYR 7 0.904 -7.988 -3.442 59 HE2 TYR 7 HE2 TYR 7 1.234 -4.005 -2.003 60 HH TYR 7 HH TYR 7 2.152 -6.438 -4.410 61 H CYS 8 H CYS 8 -3.234 -5.603 2.037 62 HA CYS 8 HA CYS 8 -5.134 -7.549 3.296 63 1HB CYS 8 1HB CYS 8 -4.553 -6.590 5.416 64 2HB CYS 8 2HB CYS 8 -3.050 -6.899 4.561 65 H GLU 9 H GLU 9 -6.341 -6.025 5.048 66 HA GLU 9 HA GLU 9 -8.100 -4.277 3.379 67 1HB GLU 9 1HB GLU 9 -8.612 -5.319 6.208 68 2HB GLU 9 2HB GLU 9 -9.793 -4.653 5.097 69 1HG GLU 9 2HG GLU 9 -8.342 -7.311 4.775 70 2HG GLU 9 1HG GLU 9 -10.025 -7.092 5.189 71 H PHE 10 H PHE 10 -5.939 -3.030 3.645 72 HA PHE 10 HA PHE 10 -6.129 -1.223 6.022 73 1HB PHE 10 1HB PHE 10 -3.901 -2.317 5.841 74 2HB PHE 10 2HB PHE 10 -3.725 -1.750 4.191 75 HD1 PHE 10 HD1 PHE 10 -4.428 -0.482 7.638 76 HD2 PHE 10 HD2 PHE 10 -2.606 0.374 3.879 77 HE1 PHE 10 HE1 PHE 10 -3.562 1.622 8.533 78 HE2 PHE 10 HE2 PHE 10 -1.753 2.518 4.793 79 HZ PHE 10 HZ PHE 10 -2.217 3.118 7.102 80 H ARG 11 H ARG 11 -6.935 0.659 5.639 81 HA ARG 11 HA ARG 11 -6.713 1.892 2.911 82 1HB ARG 11 1HB ARG 11 -8.911 2.875 3.275 83 2HB ARG 11 2HB ARG 11 -9.044 1.148 3.541 84 1HG ARG 11 2HG ARG 11 -8.889 1.494 5.999 85 2HG ARG 11 1HG ARG 11 -8.848 3.234 5.745 86 1HD ARG 11 2HD ARG 11 -11.119 1.344 4.977 87 2HD ARG 11 1HD ARG 11 -11.155 2.601 6.214 88 HE ARG 11 HE ARG 11 -10.865 4.259 4.340 89 1HH1 ARG 11 2HH1 ARG 11 -10.475 1.747 2.417 90 2HH1 ARG 11 1HH1 ARG 11 -11.951 1.894 1.535 91 1HH2 ARG 11 2HH2 ARG 11 -13.392 4.133 3.784 92 2HH2 ARG 11 1HH2 ARG 11 -13.636 3.254 2.311 93 H SER 12 H SER 12 -6.151 4.052 2.978 94 HA SER 12 HA SER 12 -5.554 5.261 5.639 95 1HB SER 12 2HB SER 12 -3.218 5.569 3.686 96 2HB SER 12 1HB SER 12 -3.271 5.210 5.366 97 HG SER 12 HG SER 12 -4.224 3.122 4.578 98 H ALA 13 H ALA 13 -4.826 7.558 5.381 99 HA ALA 13 HA ALA 13 -6.438 8.896 3.232 100 1HB ALA 13 1HB ALA 13 -6.706 10.749 4.882 101 2HB ALA 13 2HB ALA 13 -5.726 9.857 6.035 102 3HB ALA 13 3HB ALA 13 -7.297 9.236 5.546 103 H ASP 14 H ASP 14 -3.554 7.970 3.440 104 HA ASP 14 HA ASP 14 -2.296 10.498 2.470 105 1HB ASP 14 1HB ASP 14 -1.701 9.769 4.934 106 2HB ASP 14 2HB ASP 14 -0.842 8.453 4.173 107 H SER 15 H SER 15 -0.763 10.148 0.792 108 HA SER 15 HA SER 15 -0.818 7.385 -0.367 109 1HB SER 15 2HB SER 15 -2.144 9.084 -1.670 110 2HB SER 15 1HB SER 15 -0.704 10.093 -1.815 111 HG SER 15 HG SER 15 -1.427 8.058 -3.322 112 H SER 16 H SER 16 1.111 8.701 1.431 113 HA SER 16 HA SER 16 3.645 8.217 -0.075 114 1HB SER 16 2HB SER 16 3.266 10.027 2.394 115 2HB SER 16 1HB SER 16 4.719 9.875 1.396 116 HG SER 16 HG SER 16 2.555 11.399 0.979 117 H ASN 17 H ASN 17 1.725 8.132 2.840 118 HA ASN 17 HA ASN 17 3.461 6.256 4.235 119 1HB ASN 17 1HB ASN 17 0.578 7.079 4.827 120 2HB ASN 17 2HB ASN 17 1.613 6.158 5.906 121 1HD2 ASN 17 2HD2 ASN 17 0.445 9.145 5.706 122 2HD2 ASN 17 1HD2 ASN 17 1.766 10.055 6.269 123 H LEU 18 H LEU 18 0.219 5.965 2.596 124 HA LEU 18 HA LEU 18 -0.124 3.232 3.082 125 1HB LEU 18 1HB LEU 18 -1.893 4.511 2.004 126 2HB LEU 18 2HB LEU 18 -0.856 4.923 0.640 127 HG LEU 18 HG LEU 18 -0.822 2.500 -0.043 128 1HD1 LEU 18 1HD1 LEU 18 -2.871 2.109 2.187 129 2HD1 LEU 18 2HD1 LEU 18 -1.242 1.454 2.202 130 3HD1 LEU 18 3HD1 LEU 18 -2.393 0.906 1.003 131 1HD2 LEU 18 1HD2 LEU 18 -2.481 4.049 -0.972 132 2HD2 LEU 18 2HD2 LEU 18 -3.608 3.626 0.315 133 3HD2 LEU 18 3HD2 LEU 18 -3.113 2.419 -0.861 134 H LYS 19 H LYS 19 1.946 4.674 0.592 135 HA LYS 19 HA LYS 19 2.511 2.108 -0.665 136 1HB LYS 19 1HB LYS 19 2.891 4.339 -1.780 137 2HB LYS 19 2HB LYS 19 4.197 4.655 -0.648 138 1HG LYS 19 2HG LYS 19 5.573 2.919 -1.546 139 2HG LYS 19 1HG LYS 19 4.209 2.073 -2.246 140 1HD LYS 19 2HD LYS 19 5.479 3.119 -4.038 141 2HD LYS 19 1HD LYS 19 3.925 3.909 -3.902 142 1HE LYS 19 2HE LYS 19 5.129 5.711 -2.461 143 2HE LYS 19 1HE LYS 19 6.628 4.939 -2.961 144 1HZ LYS 19 1HZ LYS 19 5.072 5.288 -5.233 145 2HZ LYS 19 2HZ LYS 19 6.536 6.053 -4.830 146 3HZ LYS 19 3HZ LYS 19 5.054 6.753 -4.378 147 H THR 20 H THR 20 4.244 4.122 1.740 148 HA THR 20 HA THR 20 6.395 2.336 2.167 149 HB THR 20 HB THR 20 4.954 4.203 4.194 150 HG1 THR 20 HG1 THR 20 5.732 5.390 2.568 151 1HG2 THR 20 1HG2 THR 20 7.842 3.127 4.145 152 2HG2 THR 20 2HG2 THR 20 6.623 2.516 5.247 153 3HG2 THR 20 3HG2 THR 20 7.156 4.182 5.372 154 H HIS 21 H HIS 21 3.172 2.408 3.624 155 HA HIS 21 HA HIS 21 3.287 0.334 5.466 156 1HB HIS 21 1HB HIS 21 1.200 1.511 5.297 157 2HB HIS 21 2HB HIS 21 1.049 1.273 3.576 158 HD1 HIS 21 HD1 HIS 21 0.471 -0.512 6.765 159 HD2 HIS 21 HD2 HIS 21 -0.018 -1.216 2.772 160 HE1 HIS 21 HE1 HIS 21 -0.905 -2.547 6.584 161 H ILE 22 H ILE 22 2.348 0.010 2.023 162 HA ILE 22 HA ILE 22 2.384 -2.741 1.789 163 HB ILE 22 HB ILE 22 3.251 -0.625 -0.230 164 1HG1 ILE 22 2HG1 ILE 22 0.661 -2.203 0.129 165 2HG1 ILE 22 1HG1 ILE 22 0.901 -0.528 0.574 166 1HG2 ILE 22 1HG2 ILE 22 2.994 -2.393 -1.994 167 2HG2 ILE 22 2HG2 ILE 22 2.789 -3.591 -0.725 168 3HG2 ILE 22 3HG2 ILE 22 4.306 -2.747 -0.904 169 1HD1 ILE 22 1HD ILE 22 -0.246 -0.678 -1.598 170 2HD1 ILE 22 2HD ILE 22 1.094 -1.580 -2.277 171 3HD1 ILE 22 3HD ILE 22 1.323 0.091 -1.786 172 H LYS 23 H LYS 23 5.233 -0.733 1.099 173 HA LYS 23 HA LYS 23 7.049 -2.798 0.597 174 1HB LYS 23 1HB LYS 23 7.551 -0.092 1.929 175 2HB LYS 23 2HB LYS 23 8.831 -1.117 1.309 176 1HG LYS 23 2HG LYS 23 6.501 -0.146 -0.404 177 2HG LYS 23 1HG LYS 23 8.013 0.721 -0.272 178 1HD LYS 23 2HD LYS 23 9.258 -0.909 -1.402 179 2HD LYS 23 1HD LYS 23 8.155 -2.215 -1.043 180 1HE LYS 23 2HE LYS 23 7.541 0.106 -2.919 181 2HE LYS 23 1HE LYS 23 8.013 -1.510 -3.434 182 1HZ LYS 23 1HZ LYS 23 5.470 -0.578 -2.767 183 2HZ LYS 23 2HZ LYS 23 5.906 -1.737 -1.606 184 3HZ LYS 23 3HZ LYS 23 5.916 -2.141 -3.255 185 H THR 24 H THR 24 6.453 -1.358 3.731 186 HA THR 24 HA THR 24 8.341 -3.054 5.111 187 HB THR 24 HB THR 24 7.382 -1.893 7.167 188 HG1 THR 24 HG1 THR 24 5.763 -0.717 5.168 189 1HG2 THR 24 1HG2 THR 24 7.696 0.029 4.775 190 2HG2 THR 24 2HG2 THR 24 9.071 -0.626 5.635 191 3HG2 THR 24 3HG2 THR 24 7.934 0.421 6.469 192 H LYS 25 H LYS 25 4.828 -3.153 4.815 193 HA LYS 25 HA LYS 25 4.635 -5.436 6.645 194 1HB LYS 25 1HB LYS 25 2.591 -3.686 5.278 195 2HB LYS 25 2HB LYS 25 2.123 -5.042 6.286 196 1HG LYS 25 2HG LYS 25 3.844 -3.834 8.006 197 2HG LYS 25 1HG LYS 25 3.518 -2.439 6.999 198 1HD LYS 25 2HD LYS 25 1.080 -2.730 7.429 199 2HD LYS 25 1HD LYS 25 1.429 -4.100 8.460 200 1HE LYS 25 2HE LYS 25 2.422 -1.253 8.925 201 2HE LYS 25 1HE LYS 25 1.127 -2.047 9.807 202 1HZ LYS 25 1HZ LYS 25 3.341 -3.725 9.890 203 2HZ LYS 25 2HZ LYS 25 2.611 -2.880 11.168 204 3HZ LYS 25 3HZ LYS 25 3.874 -2.163 10.285 205 H HIS 26 H HIS 26 4.294 -4.912 3.189 206 HA HIS 26 HA HIS 26 3.534 -7.782 2.890 207 1HB HIS 26 1HB HIS 26 2.904 -5.431 1.072 208 2HB HIS 26 2HB HIS 26 2.424 -7.095 0.801 209 HD1 HIS 26 HD1 HIS 26 1.089 -8.007 3.175 210 HD2 HIS 26 HD2 HIS 26 0.897 -4.047 2.223 211 HE1 HIS 26 HE1 HIS 26 -0.893 -7.103 4.345 212 H SER 27 H SER 27 5.999 -7.770 3.172 213 HA SER 27 HA SER 27 7.237 -7.820 0.441 214 1HB SER 27 2HB SER 27 8.148 -5.955 1.785 215 2HB SER 27 1HB SER 27 8.550 -7.058 3.109 216 HG SER 27 HG SER 27 9.490 -8.056 0.820 217 H LYS 28 H LYS 28 5.768 -9.773 2.007 218 HA LYS 28 HA LYS 28 7.757 -11.972 2.071 219 1HB LYS 28 1HB LYS 28 7.334 -11.518 4.419 220 2HB LYS 28 2HB LYS 28 5.633 -11.244 4.132 221 1HG LYS 28 2HG LYS 28 6.017 -13.415 5.265 222 2HG LYS 28 1HG LYS 28 5.242 -13.628 3.723 223 1HD LYS 28 2HD LYS 28 6.901 -15.357 4.002 224 2HD LYS 28 1HD LYS 28 7.484 -14.303 2.742 225 1HE LYS 28 2HE LYS 28 8.369 -13.924 5.621 226 2HE LYS 28 1HE LYS 28 9.175 -15.060 4.556 227 1HZ LYS 28 1HZ LYS 28 9.532 -12.295 4.727 228 2HZ LYS 28 2HZ LYS 28 8.905 -12.642 3.188 229 3HZ LYS 28 3HZ LYS 28 10.320 -13.408 3.717 230 H GLU 29 H GLU 29 4.462 -11.048 1.980 231 HA GLU 29 HA GLU 29 2.511 -12.144 1.220 232 1HB GLU 29 1HB GLU 29 4.310 -11.793 -1.211 233 2HB GLU 29 2HB GLU 29 2.559 -11.946 -1.276 234 1HG GLU 29 2HG GLU 29 2.284 -9.882 0.049 235 2HG GLU 29 1HG GLU 29 4.010 -9.766 0.320 236 H LYS 30 H LYS 30 4.812 -13.680 -0.951 237 HA LYS 30 HA LYS 30 4.088 -15.917 -1.862 238 1HB LYS 30 1HB LYS 30 6.375 -15.883 0.147 239 2HB LYS 30 2HB LYS 30 6.140 -17.155 -1.028 240 1HG LYS 30 2HG LYS 30 6.601 -14.217 -1.716 241 2HG LYS 30 1HG LYS 30 7.826 -15.465 -1.758 242 1HD LYS 30 2HD LYS 30 6.435 -16.724 -3.445 243 2HD LYS 30 1HD LYS 30 5.295 -15.388 -3.471 244 1HE LYS 30 2HE LYS 30 6.836 -15.125 -5.340 245 2HE LYS 30 1HE LYS 30 7.171 -13.857 -4.171 246 1HZ LYS 30 1HZ LYS 30 8.902 -15.813 -5.145 247 2HZ LYS 30 2HZ LYS 30 8.682 -16.105 -3.487 248 3HZ LYS 30 3HZ LYS 30 9.224 -14.584 -4.014 Start of MODEL 19 1 1H LYS 1 1H LYS 1 -12.717 11.856 0.782 2 2H LYS 1 2H LYS 1 -12.223 10.636 1.856 3 3H LYS 1 3H LYS 1 -13.687 10.479 1.006 4 HA LYS 1 HA LYS 1 -12.663 9.421 -0.606 5 1HB LYS 1 2HB LYS 1 -12.355 11.839 -1.426 6 2HB LYS 1 1HB LYS 1 -10.735 11.784 -0.762 7 1HG LYS 1 2HG LYS 1 -10.175 9.869 -2.248 8 2HG LYS 1 1HG LYS 1 -11.815 9.870 -2.881 9 1HD LYS 1 2HD LYS 1 -11.473 12.256 -3.640 10 2HD LYS 1 1HD LYS 1 -9.808 12.150 -3.108 11 1HE LYS 1 2HE LYS 1 -11.091 10.380 -5.234 12 2HE LYS 1 1HE LYS 1 -9.994 11.718 -5.541 13 1HZ LYS 1 1HZ LYS 1 -8.778 10.034 -3.686 14 2HZ LYS 1 2HZ LYS 1 -8.313 10.358 -5.284 15 3HZ LYS 1 3HZ LYS 1 -9.366 9.069 -4.955 16 H THR 2 H THR 2 -11.392 7.731 -0.401 17 HA THR 2 HA THR 2 -8.896 7.908 1.230 18 HB THR 2 HB THR 2 -10.540 6.800 2.605 19 HG1 THR 2 HG1 THR 2 -8.406 5.742 2.188 20 1HG2 THR 2 1HG2 THR 2 -10.994 4.858 0.256 21 2HG2 THR 2 2HG2 THR 2 -12.164 6.073 0.749 22 3HG2 THR 2 3HG2 THR 2 -11.761 4.752 1.829 23 H TYR 3 H TYR 3 -7.538 6.107 1.034 24 HA TYR 3 HA TYR 3 -7.203 5.012 -1.735 25 1HB TYR 3 1HB TYR 3 -4.971 5.815 0.222 26 2HB TYR 3 2HB TYR 3 -4.765 5.256 -1.432 27 HD1 TYR 3 HD1 TYR 3 -6.544 6.814 -3.062 28 HD2 TYR 3 HD2 TYR 3 -4.365 8.053 0.382 29 HE1 TYR 3 HE1 TYR 3 -6.577 9.123 -3.865 30 HE2 TYR 3 HE2 TYR 3 -4.386 10.358 -0.432 31 HH TYR 3 HH TYR 3 -6.037 11.225 -3.461 32 H GLN 4 H GLN 4 -7.021 2.752 -1.611 33 HA GLN 4 HA GLN 4 -6.698 1.590 1.143 34 1HB GLN 4 1HB GLN 4 -8.993 1.524 -0.182 35 2HB GLN 4 2HB GLN 4 -8.244 0.238 -1.093 36 1HG GLN 4 2HG GLN 4 -8.396 0.187 1.953 37 2HG GLN 4 1HG GLN 4 -9.705 -0.403 0.959 38 1HE2 GLN 4 2HE2 GLN 4 -6.944 -1.374 2.579 39 2HE2 GLN 4 1HE2 GLN 4 -6.675 -2.840 1.769 40 H CYS 5 H CYS 5 -5.699 -0.418 1.294 41 HA CYS 5 HA CYS 5 -3.313 -0.709 -0.311 42 1HB CYS 5 1HB CYS 5 -3.410 -1.172 2.116 43 2HB CYS 5 2HB CYS 5 -4.536 -2.496 1.831 44 H GLN 6 H GLN 6 -2.712 -2.915 -1.203 45 HA GLN 6 HA GLN 6 -5.026 -4.152 -2.663 46 1HB GLN 6 1HB GLN 6 -3.546 -4.405 -4.602 47 2HB GLN 6 2HB GLN 6 -3.576 -2.723 -4.109 48 1HG GLN 6 2HG GLN 6 -1.411 -3.054 -2.873 49 2HG GLN 6 1HG GLN 6 -1.395 -4.734 -3.387 50 1HE2 GLN 6 2HE2 GLN 6 -0.191 -5.117 -5.200 51 2HE2 GLN 6 1HE2 GLN 6 0.150 -3.985 -6.415 52 H TYR 7 H TYR 7 -3.299 -4.804 -0.194 53 HA TYR 7 HA TYR 7 -2.780 -7.674 -0.884 54 1HB TYR 7 1HB TYR 7 -1.283 -5.907 1.072 55 2HB TYR 7 2HB TYR 7 -0.915 -7.595 0.745 56 HD1 TYR 7 HD1 TYR 7 -0.495 -8.153 -1.837 57 HD2 TYR 7 HD2 TYR 7 -0.125 -4.264 -0.141 58 HE1 TYR 7 HE1 TYR 7 0.919 -7.464 -3.711 59 HE2 TYR 7 HE2 TYR 7 1.282 -3.580 -2.018 60 HH TYR 7 HH TYR 7 2.026 -5.810 -4.672 61 H CYS 8 H CYS 8 -3.258 -5.446 1.807 62 HA CYS 8 HA CYS 8 -5.064 -7.434 3.150 63 1HB CYS 8 1HB CYS 8 -4.442 -6.475 5.261 64 2HB CYS 8 2HB CYS 8 -2.951 -6.856 4.411 65 H GLU 9 H GLU 9 -6.228 -5.882 4.938 66 HA GLU 9 HA GLU 9 -7.783 -3.960 3.250 67 1HB GLU 9 1HB GLU 9 -9.058 -5.915 4.147 68 2HB GLU 9 2HB GLU 9 -8.638 -5.447 5.779 69 1HG GLU 9 2HG GLU 9 -10.966 -4.686 4.932 70 2HG GLU 9 1HG GLU 9 -9.988 -3.455 5.689 71 H PHE 10 H PHE 10 -5.874 -2.710 3.721 72 HA PHE 10 HA PHE 10 -6.138 -1.076 6.217 73 1HB PHE 10 1HB PHE 10 -3.937 -2.136 6.084 74 2HB PHE 10 2HB PHE 10 -3.686 -1.594 4.431 75 HD1 PHE 10 HD1 PHE 10 -4.326 -0.293 7.895 76 HD2 PHE 10 HD2 PHE 10 -2.600 0.497 4.081 77 HE1 PHE 10 HE1 PHE 10 -3.380 1.800 8.753 78 HE2 PHE 10 HE2 PHE 10 -1.678 2.644 4.971 79 HZ PHE 10 HZ PHE 10 -2.054 3.262 7.258 80 H ARG 11 H ARG 11 -7.252 0.624 5.755 81 HA ARG 11 HA ARG 11 -6.952 2.022 3.115 82 1HB ARG 11 1HB ARG 11 -9.194 2.901 3.386 83 2HB ARG 11 2HB ARG 11 -9.297 1.187 3.678 84 1HG ARG 11 2HG ARG 11 -9.295 3.351 5.828 85 2HG ARG 11 1HG ARG 11 -10.683 2.464 5.259 86 1HD ARG 11 2HD ARG 11 -8.350 1.292 6.842 87 2HD ARG 11 1HD ARG 11 -10.018 1.462 7.337 88 HE ARG 11 HE ARG 11 -9.218 -0.365 5.094 89 1HH1 ARG 11 1HH2 ARG 11 -12.089 0.262 5.423 90 2HH1 ARG 11 2HH2 ARG 11 -12.644 -1.037 6.427 91 1HH2 ARG 11 1HH1 ARG 11 -9.397 -1.902 7.413 92 2HH2 ARG 11 2HH1 ARG 11 -11.078 -2.272 7.623 93 H SER 12 H SER 12 -6.260 4.033 3.146 94 HA SER 12 HA SER 12 -5.927 5.516 5.705 95 1HB SER 12 2HB SER 12 -3.655 5.094 3.670 96 2HB SER 12 1HB SER 12 -3.428 5.689 5.264 97 HG SER 12 HG SER 12 -3.794 3.160 4.498 98 H ALA 13 H ALA 13 -5.002 7.830 5.012 99 HA ALA 13 HA ALA 13 -6.610 8.731 2.636 100 1HB ALA 13 1HB ALA 13 -6.038 10.195 5.235 101 2HB ALA 13 2HB ALA 13 -7.567 9.452 4.794 102 3HB ALA 13 3HB ALA 13 -6.973 10.836 3.890 103 H ASP 14 H ASP 14 -3.661 8.005 3.146 104 HA ASP 14 HA ASP 14 -2.512 10.394 1.757 105 1HB ASP 14 1HB ASP 14 -1.783 10.159 4.237 106 2HB ASP 14 2HB ASP 14 -1.035 8.652 3.765 107 H SER 15 H SER 15 -0.566 9.842 0.488 108 HA SER 15 HA SER 15 -0.584 7.008 -0.482 109 1HB SER 15 2HB SER 15 -1.854 8.465 -2.026 110 2HB SER 15 1HB SER 15 -0.498 9.578 -2.172 111 HG SER 15 HG SER 15 0.294 7.018 -2.594 112 H SER 16 H SER 16 1.119 8.182 1.398 113 HA SER 16 HA SER 16 3.798 7.740 0.152 114 1HB SER 16 2HB SER 16 3.236 9.805 2.390 115 2HB SER 16 1HB SER 16 4.756 9.540 1.539 116 HG SER 16 HG SER 16 4.036 10.766 0.027 117 H ASN 17 H ASN 17 1.799 8.023 3.007 118 HA ASN 17 HA ASN 17 3.365 6.288 4.696 119 1HB ASN 17 1HB ASN 17 0.409 7.111 4.857 120 2HB ASN 17 2HB ASN 17 1.299 6.325 6.152 121 1HD2 ASN 17 2HD2 ASN 17 0.293 9.329 5.182 122 2HD2 ASN 17 1HD2 ASN 17 1.483 10.278 5.935 123 H LEU 18 H LEU 18 0.561 5.929 2.561 124 HA LEU 18 HA LEU 18 0.144 3.145 3.111 125 1HB LEU 18 1HB LEU 18 -1.590 4.693 2.123 126 2HB LEU 18 2HB LEU 18 -0.612 4.842 0.663 127 HG LEU 18 HG LEU 18 -0.983 2.466 0.119 128 1HD1 LEU 18 1HD1 LEU 18 -2.494 1.065 1.495 129 2HD1 LEU 18 2HD1 LEU 18 -2.647 2.350 2.680 130 3HD1 LEU 18 3HD1 LEU 18 -1.104 1.541 2.446 131 1HD2 LEU 18 1HD2 LEU 18 -3.571 3.887 0.899 132 2HD2 LEU 18 2HD2 LEU 18 -3.442 2.561 -0.247 133 3HD2 LEU 18 3HD2 LEU 18 -2.697 4.108 -0.612 134 H LYS 19 H LYS 19 2.458 4.789 1.157 135 HA LYS 19 HA LYS 19 3.050 2.427 -0.508 136 1HB LYS 19 1HB LYS 19 4.470 5.113 -0.054 137 2HB LYS 19 2HB LYS 19 5.176 3.854 -1.047 138 1HG LYS 19 2HG LYS 19 3.177 3.883 -2.516 139 2HG LYS 19 1HG LYS 19 2.477 5.165 -1.538 140 1HD LYS 19 2HD LYS 19 4.254 6.717 -2.119 141 2HD LYS 19 1HD LYS 19 5.220 5.443 -2.837 142 1HE LYS 19 2HE LYS 19 2.496 6.255 -3.922 143 2HE LYS 19 1HE LYS 19 4.020 6.877 -4.541 144 1HZ LYS 19 1HZ LYS 19 4.222 5.084 -5.765 145 2HZ LYS 19 2HZ LYS 19 2.764 4.458 -5.154 146 3HZ LYS 19 3HZ LYS 19 4.235 4.105 -4.379 147 H THR 20 H THR 20 4.605 4.191 2.151 148 HA THR 20 HA THR 20 6.718 2.381 2.621 149 HB THR 20 HB THR 20 5.074 3.940 4.751 150 HG1 THR 20 HG1 THR 20 5.728 5.273 3.113 151 1HG2 THR 20 1HG2 THR 20 6.933 2.346 5.624 152 2HG2 THR 20 2HG2 THR 20 7.265 4.043 5.929 153 3HG2 THR 20 3HG2 THR 20 8.065 3.218 4.603 154 H HIS 21 H HIS 21 3.419 2.406 3.927 155 HA HIS 21 HA HIS 21 3.299 0.211 5.531 156 1HB HIS 21 1HB HIS 21 1.299 1.534 5.077 157 2HB HIS 21 2HB HIS 21 1.346 1.141 3.370 158 HD1 HIS 21 HD1 HIS 21 0.651 -0.590 6.627 159 HD2 HIS 21 HD2 HIS 21 0.117 -1.178 2.621 160 HE1 HIS 21 HE1 HIS 21 -0.766 -2.606 6.402 161 H ILE 22 H ILE 22 2.756 0.066 1.995 162 HA ILE 22 HA ILE 22 2.787 -2.711 1.695 163 HB ILE 22 HB ILE 22 3.722 -0.520 -0.217 164 1HG1 ILE 22 2HG1 ILE 22 1.091 -2.067 -0.050 165 2HG1 ILE 22 1HG1 ILE 22 1.316 -0.484 0.649 166 1HG2 ILE 22 1HG2 ILE 22 3.406 -2.215 -2.029 167 2HG2 ILE 22 2HG2 ILE 22 3.078 -3.441 -0.812 168 3HG2 ILE 22 3HG2 ILE 22 4.667 -2.709 -0.925 169 1HD1 ILE 22 1HD ILE 22 1.591 -1.130 -2.320 170 2HD1 ILE 22 2HD ILE 22 1.835 0.454 -1.598 171 3HD1 ILE 22 3HD ILE 22 0.249 -0.297 -1.562 172 H LYS 23 H LYS 23 5.609 -0.582 1.233 173 HA LYS 23 HA LYS 23 7.474 -2.564 0.727 174 1HB LYS 23 1HB LYS 23 7.605 0.221 1.868 175 2HB LYS 23 2HB LYS 23 9.059 -0.726 2.077 176 1HG LYS 23 2HG LYS 23 7.709 -0.250 -0.619 177 2HG LYS 23 1HG LYS 23 9.073 0.666 -0.006 178 1HD LYS 23 2HD LYS 23 10.356 -1.549 0.204 179 2HD LYS 23 1HD LYS 23 9.020 -2.337 -0.609 180 1HE LYS 23 2HE LYS 23 10.732 -1.835 -2.254 181 2HE LYS 23 1HE LYS 23 9.339 -0.814 -2.575 182 1HZ LYS 23 1HZ LYS 23 10.625 0.942 -2.359 183 2HZ LYS 23 2HZ LYS 23 11.966 -0.055 -2.044 184 3HZ LYS 23 3HZ LYS 23 11.012 0.505 -0.760 185 H THR 24 H THR 24 6.453 -1.697 3.941 186 HA THR 24 HA THR 24 8.466 -3.603 5.043 187 HB THR 24 HB THR 24 8.411 -1.382 6.097 188 HG1 THR 24 HG1 THR 24 7.372 -2.612 8.189 189 1HG2 THR 24 1HG2 THR 24 5.573 -2.114 6.981 190 2HG2 THR 24 2HG2 THR 24 5.913 -0.885 5.781 191 3HG2 THR 24 3HG2 THR 24 6.455 -0.669 7.434 192 H LYS 25 H LYS 25 4.958 -3.346 4.749 193 HA LYS 25 HA LYS 25 4.575 -5.758 6.415 194 1HB LYS 25 1HB LYS 25 2.688 -3.732 5.189 195 2HB LYS 25 2HB LYS 25 2.094 -5.181 5.980 196 1HG LYS 25 2HG LYS 25 3.780 -2.964 7.232 197 2HG LYS 25 1HG LYS 25 2.075 -3.200 7.468 198 1HD LYS 25 2HD LYS 25 2.757 -4.270 9.379 199 2HD LYS 25 1HD LYS 25 2.886 -5.640 8.305 200 1HE LYS 25 2HE LYS 25 4.884 -5.413 9.755 201 2HE LYS 25 1HE LYS 25 5.372 -5.241 8.094 202 1HZ LYS 25 1HZ LYS 25 6.174 -3.264 8.563 203 2HZ LYS 25 2HZ LYS 25 5.722 -3.467 10.179 204 3HZ LYS 25 3HZ LYS 25 4.651 -2.725 9.093 205 H HIS 26 H HIS 26 4.641 -4.953 3.036 206 HA HIS 26 HA HIS 26 3.706 -7.728 2.442 207 1HB HIS 26 1HB HIS 26 3.186 -5.172 0.858 208 2HB HIS 26 2HB HIS 26 2.678 -6.782 0.379 209 HD1 HIS 26 HD1 HIS 26 1.298 -7.887 2.711 210 HD2 HIS 26 HD2 HIS 26 1.063 -3.888 1.967 211 HE1 HIS 26 HE1 HIS 26 -0.723 -7.084 3.877 212 H SER 27 H SER 27 6.132 -7.682 2.934 213 HA SER 27 HA SER 27 7.635 -7.330 0.366 214 1HB SER 27 2HB SER 27 8.375 -5.770 2.149 215 2HB SER 27 1HB SER 27 8.732 -7.146 3.203 216 HG SER 27 HG SER 27 10.227 -6.145 1.259 217 H LYS 28 H LYS 28 9.162 -8.814 -0.140 218 HA LYS 28 HA LYS 28 9.196 -11.429 1.296 219 1HB LYS 28 1HB LYS 28 7.695 -11.164 -0.954 220 2HB LYS 28 2HB LYS 28 9.254 -11.303 -1.738 221 1HG LYS 28 2HG LYS 28 9.609 -13.499 -0.448 222 2HG LYS 28 1HG LYS 28 8.004 -13.300 0.207 223 1HD LYS 28 2HD LYS 28 7.844 -14.824 -1.659 224 2HD LYS 28 1HD LYS 28 7.066 -13.326 -2.122 225 1HE LYS 28 2HE LYS 28 8.510 -14.177 -3.956 226 2HE LYS 28 1HE LYS 28 9.106 -12.635 -3.385 227 1HZ LYS 28 1HZ LYS 28 10.279 -14.673 -1.857 228 2HZ LYS 28 2HZ LYS 28 11.021 -13.582 -2.918 229 3HZ LYS 28 3HZ LYS 28 10.439 -15.069 -3.498 230 H GLU 29 H GLU 29 11.118 -12.664 -0.234 231 HA GLU 29 HA GLU 29 13.440 -10.764 -0.097 232 1HB GLU 29 1HB GLU 29 13.393 -13.793 0.270 233 2HB GLU 29 2HB GLU 29 14.808 -12.772 0.421 234 1HG GLU 29 2HG GLU 29 12.346 -12.585 2.223 235 2HG GLU 29 1HG GLU 29 13.837 -13.397 2.643 236 H LYS 30 H LYS 30 15.317 -11.690 -1.411 237 HA LYS 30 HA LYS 30 14.362 -12.112 -4.213 238 1HB LYS 30 1HB LYS 30 17.051 -11.108 -3.181 239 2HB LYS 30 2HB LYS 30 16.567 -11.151 -4.859 240 1HG LYS 30 2HG LYS 30 15.121 -9.527 -2.709 241 2HG LYS 30 1HG LYS 30 16.382 -8.870 -3.716 242 1HD LYS 30 2HD LYS 30 13.781 -10.047 -4.809 243 2HD LYS 30 1HD LYS 30 14.048 -8.343 -4.517 244 1HE LYS 30 2HE LYS 30 15.690 -10.048 -6.452 245 2HE LYS 30 1HE LYS 30 14.453 -8.891 -6.904 246 1HZ LYS 30 1HZ LYS 30 15.953 -7.309 -6.844 247 2HZ LYS 30 2HZ LYS 30 17.150 -8.423 -6.384 248 3HZ LYS 30 3HZ LYS 30 16.250 -7.600 -5.201 Start of MODEL 20 1 1H LYS 1 1H LYS 1 -7.154 9.125 -1.976 2 2H LYS 1 2H LYS 1 -7.685 9.700 -3.483 3 3H LYS 1 3H LYS 1 -8.329 8.265 -2.847 4 HA LYS 1 HA LYS 1 -8.716 10.248 -0.937 5 1HB LYS 1 2HB LYS 1 -8.419 11.796 -2.999 6 2HB LYS 1 1HB LYS 1 -9.790 10.993 -3.705 7 1HG LYS 1 2HG LYS 1 -10.474 13.119 -2.654 8 2HG LYS 1 1HG LYS 1 -11.277 11.765 -1.908 9 1HD LYS 1 2HD LYS 1 -10.582 13.320 -0.179 10 2HD LYS 1 1HD LYS 1 -9.647 11.861 0.007 11 1HE LYS 1 2HE LYS 1 -8.622 14.336 -1.456 12 2HE LYS 1 1HE LYS 1 -8.310 14.011 0.239 13 1HZ LYS 1 1HZ LYS 1 -6.617 12.766 -0.343 14 2HZ LYS 1 2HZ LYS 1 -6.928 13.070 -1.981 15 3HZ LYS 1 3HZ LYS 1 -7.628 11.727 -1.218 16 H THR 2 H THR 2 -11.082 7.469 -1.033 17 HA THR 2 HA THR 2 -8.371 8.387 -0.176 18 HB THR 2 HB THR 2 -8.725 6.745 1.722 19 HG1 THR 2 HG1 THR 2 -10.563 5.927 -0.066 20 1HG2 THR 2 1HG2 THR 2 -9.760 9.093 1.942 21 2HG2 THR 2 2HG2 THR 2 -10.648 7.851 2.807 22 3HG2 THR 2 3HG2 THR 2 -11.246 8.440 1.266 23 H TYR 3 H TYR 3 -7.150 6.113 0.506 24 HA TYR 3 HA TYR 3 -7.026 4.503 -2.000 25 1HB TYR 3 1HB TYR 3 -4.780 5.143 -0.105 26 2HB TYR 3 2HB TYR 3 -4.635 4.350 -1.673 27 HD1 TYR 3 HD1 TYR 3 -5.961 6.055 -3.584 28 HD2 TYR 3 HD2 TYR 3 -3.836 7.200 -0.076 29 HE1 TYR 3 HE1 TYR 3 -5.511 8.257 -4.563 30 HE2 TYR 3 HE2 TYR 3 -3.383 9.387 -1.057 31 HH TYR 3 HH TYR 3 -4.061 10.100 -4.372 32 H GLN 4 H GLN 4 -7.006 2.364 -1.784 33 HA GLN 4 HA GLN 4 -7.005 1.171 0.966 34 1HB GLN 4 1HB GLN 4 -9.235 0.927 0.045 35 2HB GLN 4 2HB GLN 4 -8.616 0.484 -1.529 36 1HG GLN 4 2HG GLN 4 -9.526 -1.470 -0.255 37 2HG GLN 4 1HG GLN 4 -7.857 -1.696 -0.712 38 1HE2 GLN 4 2HE2 GLN 4 -9.036 0.259 2.051 39 2HE2 GLN 4 1HE2 GLN 4 -8.315 -0.708 3.247 40 H CYS 5 H CYS 5 -5.663 -0.483 1.266 41 HA CYS 5 HA CYS 5 -3.397 -0.891 -0.390 42 1HB CYS 5 1HB CYS 5 -3.464 -1.238 2.026 43 2HB CYS 5 2HB CYS 5 -4.564 -2.603 1.832 44 H GLN 6 H GLN 6 -2.705 -2.976 -1.339 45 HA GLN 6 HA GLN 6 -4.961 -4.424 -2.697 46 1HB GLN 6 1HB GLN 6 -3.470 -2.878 -4.108 47 2HB GLN 6 2HB GLN 6 -2.119 -3.906 -3.702 48 1HG GLN 6 2HG GLN 6 -2.830 -4.572 -5.888 49 2HG GLN 6 1HG GLN 6 -3.409 -5.848 -4.843 50 1HE2 GLN 6 1HE2 GLN 6 -4.326 -3.740 -7.277 51 2HE2 GLN 6 2HE2 GLN 6 -6.013 -3.838 -7.093 52 H TYR 7 H TYR 7 -3.642 -4.940 -0.139 53 HA TYR 7 HA TYR 7 -2.777 -7.746 -0.644 54 1HB TYR 7 1HB TYR 7 -1.387 -5.759 1.183 55 2HB TYR 7 2HB TYR 7 -0.918 -7.443 0.993 56 HD1 TYR 7 HD1 TYR 7 -0.333 -8.211 -1.443 57 HD2 TYR 7 HD2 TYR 7 -0.481 -4.124 -0.268 58 HE1 TYR 7 HE1 TYR 7 1.013 -7.595 -3.396 59 HE2 TYR 7 HE2 TYR 7 0.851 -3.509 -2.217 60 HH TYR 7 HH TYR 7 2.141 -4.288 -3.895 61 H CYS 8 H CYS 8 -3.341 -5.470 1.964 62 HA CYS 8 HA CYS 8 -5.027 -7.500 3.384 63 1HB CYS 8 1HB CYS 8 -4.299 -6.498 5.464 64 2HB CYS 8 2HB CYS 8 -2.879 -6.868 4.500 65 H GLU 9 H GLU 9 -6.094 -5.939 5.252 66 HA GLU 9 HA GLU 9 -8.006 -4.228 3.721 67 1HB GLU 9 1HB GLU 9 -9.492 -4.591 5.737 68 2HB GLU 9 2HB GLU 9 -9.074 -6.068 4.901 69 1HG GLU 9 2HG GLU 9 -7.348 -6.593 6.601 70 2HG GLU 9 1HG GLU 9 -7.651 -5.079 7.433 71 H PHE 10 H PHE 10 -5.971 -2.874 3.844 72 HA PHE 10 HA PHE 10 -5.998 -1.075 6.241 73 1HB PHE 10 1HB PHE 10 -3.800 -2.106 5.793 74 2HB PHE 10 2HB PHE 10 -3.822 -1.536 4.127 75 HD1 PHE 10 HD1 PHE 10 -3.734 -0.415 7.686 76 HD2 PHE 10 HD2 PHE 10 -3.133 0.722 3.617 77 HE1 PHE 10 HE1 PHE 10 -2.727 1.698 8.418 78 HE2 PHE 10 HE2 PHE 10 -2.132 2.846 4.378 79 HZ PHE 10 HZ PHE 10 -1.935 3.341 6.740 80 H ARG 11 H ARG 11 -7.128 0.648 5.879 81 HA ARG 11 HA ARG 11 -7.299 1.867 3.143 82 1HB ARG 11 1HB ARG 11 -9.523 2.834 4.064 83 2HB ARG 11 2HB ARG 11 -9.533 1.142 3.651 84 1HG ARG 11 2HG ARG 11 -9.308 0.441 5.957 85 2HG ARG 11 1HG ARG 11 -9.032 2.078 6.513 86 1HD ARG 11 2HD ARG 11 -11.608 1.224 5.139 87 2HD ARG 11 1HD ARG 11 -11.393 1.207 6.885 88 HE ARG 11 HE ARG 11 -11.151 3.680 5.201 89 1HH1 ARG 11 2HH1 ARG 11 -10.893 2.508 8.347 90 2HH1 ARG 11 1HH1 ARG 11 -11.915 3.713 9.057 91 1HH2 ARG 11 1HH2 ARG 11 -12.908 5.018 5.976 92 2HH2 ARG 11 2HH2 ARG 11 -13.073 5.154 7.696 93 H SER 12 H SER 12 -6.325 3.777 3.029 94 HA SER 12 HA SER 12 -6.308 5.593 5.380 95 1HB SER 12 2HB SER 12 -3.842 4.557 3.912 96 2HB SER 12 1HB SER 12 -3.714 5.813 5.096 97 HG SER 12 HG SER 12 -3.977 4.404 6.607 98 H ALA 13 H ALA 13 -5.379 7.762 4.775 99 HA ALA 13 HA ALA 13 -6.154 8.474 1.960 100 1HB ALA 13 1HB ALA 13 -6.588 10.062 4.519 101 2HB ALA 13 2HB ALA 13 -7.837 9.212 3.626 102 3HB ALA 13 3HB ALA 13 -7.038 10.602 2.907 103 H ASP 14 H ASP 14 -3.542 7.779 2.822 104 HA ASP 14 HA ASP 14 -2.104 10.360 2.315 105 1HB ASP 14 1HB ASP 14 -1.885 9.574 4.733 106 2HB ASP 14 2HB ASP 14 -1.143 8.097 4.133 107 H SER 15 H SER 15 -0.126 10.101 1.146 108 HA SER 15 HA SER 15 0.139 7.518 -0.324 109 1HB SER 15 2HB SER 15 0.299 10.398 -1.413 110 2HB SER 15 1HB SER 15 0.744 8.978 -2.370 111 HG SER 15 HG SER 15 -1.674 9.862 -2.045 112 H SER 16 H SER 16 1.501 8.838 1.994 113 HA SER 16 HA SER 16 4.314 8.527 1.006 114 1HB SER 16 2HB SER 16 4.993 10.151 2.789 115 2HB SER 16 1HB SER 16 3.755 10.904 1.778 116 HG SER 16 HG SER 16 2.524 9.486 3.640 117 H ASN 17 H ASN 17 1.876 7.905 3.432 118 HA ASN 17 HA ASN 17 3.672 5.949 4.798 119 1HB ASN 17 1HB ASN 17 2.617 7.750 6.190 120 2HB ASN 17 2HB ASN 17 1.030 7.161 5.710 121 1HD2 ASN 17 1HD2 ASN 17 0.123 5.835 7.254 122 2HD2 ASN 17 2HD2 ASN 17 0.982 4.819 8.305 123 H LEU 18 H LEU 18 1.666 5.878 2.283 124 HA LEU 18 HA LEU 18 0.267 3.351 3.062 125 1HB LEU 18 1HB LEU 18 -1.238 5.017 2.079 126 2HB LEU 18 2HB LEU 18 -0.146 5.257 0.719 127 HG LEU 18 HG LEU 18 -0.559 2.959 -0.094 128 1HD1 LEU 18 1HD1 LEU 18 -2.200 1.462 1.027 129 2HD1 LEU 18 2HD1 LEU 18 -2.429 2.639 2.304 130 3HD1 LEU 18 3HD1 LEU 18 -0.895 1.801 2.138 131 1HD2 LEU 18 1HD2 LEU 18 -2.979 3.180 -0.593 132 2HD2 LEU 18 2HD2 LEU 18 -2.158 4.728 -0.748 133 3HD2 LEU 18 3HD2 LEU 18 -3.110 4.381 0.690 134 H LYS 19 H LYS 19 2.388 4.899 0.740 135 HA LYS 19 HA LYS 19 2.908 2.475 -0.777 136 1HB LYS 19 1HB LYS 19 4.350 5.190 -0.521 137 2HB LYS 19 2HB LYS 19 4.937 3.950 -1.605 138 1HG LYS 19 2HG LYS 19 3.510 5.698 -2.729 139 2HG LYS 19 1HG LYS 19 2.939 4.064 -2.978 140 1HD LYS 19 2HD LYS 19 1.173 4.356 -1.316 141 2HD LYS 19 1HD LYS 19 1.824 5.911 -0.825 142 1HE LYS 19 2HE LYS 19 1.250 6.860 -3.006 143 2HE LYS 19 1HE LYS 19 0.754 5.282 -3.606 144 1HZ LYS 19 1HZ LYS 19 -1.240 5.636 -2.762 145 2HZ LYS 19 2HZ LYS 19 -0.751 7.139 -2.138 146 3HZ LYS 19 3HZ LYS 19 -0.576 5.746 -1.203 147 H THR 20 H THR 20 4.336 4.175 1.942 148 HA THR 20 HA THR 20 6.568 2.345 2.207 149 HB THR 20 HB THR 20 5.187 4.192 4.296 150 HG1 THR 20 HG1 THR 20 6.162 5.555 3.044 151 1HG2 THR 20 1HG2 THR 20 7.344 3.993 5.525 152 2HG2 THR 20 2HG2 THR 20 8.009 2.966 4.262 153 3HG2 THR 20 3HG2 THR 20 6.726 2.367 5.300 154 H HIS 21 H HIS 21 3.308 2.604 3.613 155 HA HIS 21 HA HIS 21 3.265 0.415 5.343 156 1HB HIS 21 1HB HIS 21 1.193 1.685 5.135 157 2HB HIS 21 2HB HIS 21 1.085 1.408 3.416 158 HD1 HIS 21 HD1 HIS 21 0.526 -0.415 6.610 159 HD2 HIS 21 HD2 HIS 21 0.018 -1.016 2.606 160 HE1 HIS 21 HE1 HIS 21 -0.815 -2.482 6.383 161 H ILE 22 H ILE 22 2.376 0.250 1.840 162 HA ILE 22 HA ILE 22 2.328 -2.491 1.587 163 HB ILE 22 HB ILE 22 3.190 -0.349 -0.424 164 1HG1 ILE 22 2HG1 ILE 22 0.553 -1.820 0.018 165 2HG1 ILE 22 1HG1 ILE 22 0.876 -0.176 0.509 166 1HG2 ILE 22 1HG2 ILE 22 2.763 -2.069 -2.197 167 2HG2 ILE 22 2HG2 ILE 22 2.509 -3.273 -0.939 168 3HG2 ILE 22 3HG2 ILE 22 4.084 -2.549 -1.163 169 1HD1 ILE 22 1HD ILE 22 0.868 -1.145 -2.376 170 2HD1 ILE 22 2HD ILE 22 1.246 0.490 -1.855 171 3HD1 ILE 22 3HD ILE 22 -0.359 -0.167 -1.596 172 H LYS 23 H LYS 23 5.220 -0.523 0.841 173 HA LYS 23 HA LYS 23 6.970 -2.552 0.246 174 1HB LYS 23 1HB LYS 23 7.320 -0.083 0.027 175 2HB LYS 23 2HB LYS 23 7.575 0.028 1.752 176 1HG LYS 23 2HG LYS 23 9.273 -1.894 0.156 177 2HG LYS 23 1HG LYS 23 9.618 -0.182 0.051 178 1HD LYS 23 2HD LYS 23 10.010 -0.032 2.441 179 2HD LYS 23 1HD LYS 23 9.504 -1.683 2.722 180 1HE LYS 23 2HE LYS 23 11.965 -1.563 2.635 181 2HE LYS 23 1HE LYS 23 11.376 -2.498 1.269 182 1HZ LYS 23 1HZ LYS 23 11.469 0.209 0.549 183 2HZ LYS 23 2HZ LYS 23 12.353 -1.093 -0.086 184 3HZ LYS 23 3HZ LYS 23 12.959 -0.219 1.239 185 H THR 24 H THR 24 6.363 -1.381 3.515 186 HA THR 24 HA THR 24 8.277 -3.258 4.688 187 HB THR 24 HB THR 24 7.513 -2.198 6.877 188 HG1 THR 24 HG1 THR 24 5.595 -1.399 6.726 189 1HG2 THR 24 1HG2 THR 24 8.251 0.107 6.345 190 2HG2 THR 24 2HG2 THR 24 7.950 -0.135 4.631 191 3HG2 THR 24 3HG2 THR 24 9.263 -0.992 5.424 192 H LYS 25 H LYS 25 4.774 -3.031 4.581 193 HA LYS 25 HA LYS 25 4.351 -5.272 6.373 194 1HB LYS 25 1HB LYS 25 2.424 -3.708 4.627 195 2HB LYS 25 2HB LYS 25 1.945 -4.820 5.898 196 1HG LYS 25 2HG LYS 25 3.509 -2.214 6.253 197 2HG LYS 25 1HG LYS 25 1.843 -2.490 6.697 198 1HD LYS 25 2HD LYS 25 2.597 -4.239 8.338 199 2HD LYS 25 1HD LYS 25 4.263 -3.835 7.956 200 1HE LYS 25 2HE LYS 25 2.213 -1.872 9.059 201 2HE LYS 25 1HE LYS 25 3.497 -2.625 9.987 202 1HZ LYS 25 1HZ LYS 25 4.840 -1.032 9.368 203 2HZ LYS 25 2HZ LYS 25 3.595 -0.305 8.475 204 3HZ LYS 25 3HZ LYS 25 4.643 -1.396 7.726 205 H HIS 26 H HIS 26 4.410 -4.851 2.882 206 HA HIS 26 HA HIS 26 3.736 -7.734 2.573 207 1HB HIS 26 1HB HIS 26 3.134 -5.451 0.647 208 2HB HIS 26 2HB HIS 26 2.608 -7.118 0.502 209 HD1 HIS 26 HD1 HIS 26 1.350 -7.819 2.972 210 HD2 HIS 26 HD2 HIS 26 1.059 -3.925 1.756 211 HE1 HIS 26 HE1 HIS 26 -0.596 -6.860 4.157 212 H SER 27 H SER 27 5.232 -5.081 1.000 213 HA SER 27 HA SER 27 7.416 -4.703 0.197 214 1HB SER 27 2HB SER 27 9.100 -6.459 0.203 215 2HB SER 27 1HB SER 27 8.031 -7.040 1.457 216 HG SER 27 HG SER 27 8.514 -8.082 -0.983 217 H LYS 28 H LYS 28 7.472 -5.374 -3.252 218 HA LYS 28 HA LYS 28 9.057 -4.542 -0.881 219 1HB LYS 28 1HB LYS 28 9.842 -6.836 -1.659 220 2HB LYS 28 2HB LYS 28 10.103 -6.188 -3.246 221 1HG LYS 28 2HG LYS 28 12.214 -6.283 -2.053 222 2HG LYS 28 1HG LYS 28 11.803 -4.602 -2.318 223 1HD LYS 28 2HD LYS 28 10.910 -4.476 0.046 224 2HD LYS 28 1HD LYS 28 11.369 -6.155 0.278 225 1HE LYS 28 2HE LYS 28 13.740 -5.574 -0.129 226 2HE LYS 28 1HE LYS 28 13.289 -3.896 -0.411 227 1HZ LYS 28 1HZ LYS 28 12.168 -4.710 2.013 228 2HZ LYS 28 2HZ LYS 28 13.370 -3.544 1.739 229 3HZ LYS 28 3HZ LYS 28 13.806 -5.163 2.017 230 H GLU 29 H GLU 29 9.919 -4.703 -4.205 231 HA GLU 29 HA GLU 29 9.807 -1.741 -4.544 232 1HB GLU 29 1HB GLU 29 12.123 -2.546 -3.906 233 2HB GLU 29 2HB GLU 29 12.134 -3.591 -5.307 234 1HG GLU 29 2HG GLU 29 12.107 -1.678 -6.829 235 2HG GLU 29 1HG GLU 29 11.838 -0.560 -5.495 236 H LYS 30 H LYS 30 10.373 -1.415 -7.076 237 HA LYS 30 HA LYS 30 8.470 -3.171 -8.565 238 1HB LYS 30 1HB LYS 30 8.249 -1.279 -10.130 239 2HB LYS 30 2HB LYS 30 7.937 -0.738 -8.496 240 1HG LYS 30 2HG LYS 30 10.155 0.262 -8.302 241 2HG LYS 30 1HG LYS 30 10.670 -0.432 -9.829 242 1HD LYS 30 2HD LYS 30 8.934 0.887 -11.022 243 2HD LYS 30 1HD LYS 30 8.439 1.617 -9.505 244 1HE LYS 30 2HE LYS 30 10.711 2.595 -9.240 245 2HE LYS 30 1HE LYS 30 11.235 1.799 -10.719 246 1HZ LYS 30 1HZ LYS 30 8.902 3.227 -11.278 247 2HZ LYS 30 2HZ LYS 30 10.477 3.491 -11.860 248 3HZ LYS 30 3HZ LYS 30 9.955 4.261 -10.441 Start of MODEL 21 1 1H LYS 1 1H LYS 1 -8.001 12.269 -1.224 2 2H LYS 1 2H LYS 1 -8.594 11.372 -2.538 3 3H LYS 1 3H LYS 1 -6.987 11.179 -2.031 4 HA LYS 1 HA LYS 1 -7.551 9.568 -0.700 5 1HB LYS 1 2HB LYS 1 -8.945 10.096 1.313 6 2HB LYS 1 1HB LYS 1 -7.847 11.411 0.966 7 1HG LYS 1 2HG LYS 1 -9.734 12.594 -0.255 8 2HG LYS 1 1HG LYS 1 -10.803 11.279 0.190 9 1HD LYS 1 2HD LYS 1 -11.166 13.051 1.761 10 2HD LYS 1 1HD LYS 1 -10.344 11.757 2.607 11 1HE LYS 1 2HE LYS 1 -8.172 12.978 2.359 12 2HE LYS 1 1HE LYS 1 -9.001 14.254 1.478 13 1HZ LYS 1 1HZ LYS 1 -8.709 13.945 4.228 14 2HZ LYS 1 2HZ LYS 1 -10.364 13.794 3.873 15 3HZ LYS 1 3HZ LYS 1 -9.515 15.179 3.383 16 H THR 2 H THR 2 -10.686 7.873 -1.319 17 HA THR 2 HA THR 2 -8.411 8.206 0.602 18 HB THR 2 HB THR 2 -9.498 6.220 1.761 19 HG1 THR 2 HG1 THR 2 -10.722 6.187 -0.638 20 1HG2 THR 2 1HG2 THR 2 -11.529 8.430 1.093 21 2HG2 THR 2 2HG2 THR 2 -10.316 8.572 2.354 22 3HG2 THR 2 3HG2 THR 2 -11.580 7.363 2.488 23 H TYR 3 H TYR 3 -7.089 6.172 0.915 24 HA TYR 3 HA TYR 3 -6.718 4.736 -1.659 25 1HB TYR 3 1HB TYR 3 -4.569 5.505 0.367 26 2HB TYR 3 2HB TYR 3 -4.342 4.898 -1.268 27 HD1 TYR 3 HD1 TYR 3 -5.829 6.438 -3.070 28 HD2 TYR 3 HD2 TYR 3 -4.110 7.784 0.589 29 HE1 TYR 3 HE1 TYR 3 -5.847 8.740 -3.902 30 HE2 TYR 3 HE2 TYR 3 -4.125 10.077 -0.251 31 HH TYR 3 HH TYR 3 -4.646 11.428 -1.913 32 H GLN 4 H GLN 4 -6.861 2.634 -1.497 33 HA GLN 4 HA GLN 4 -6.771 1.327 1.197 34 1HB GLN 4 1HB GLN 4 -9.041 1.262 0.312 35 2HB GLN 4 2HB GLN 4 -8.482 0.763 -1.267 36 1HG GLN 4 2HG GLN 4 -9.495 -1.129 0.005 37 2HG GLN 4 1HG GLN 4 -7.820 -1.449 -0.375 38 1HE2 GLN 4 2HE2 GLN 4 -6.696 -2.283 1.329 39 2HE2 GLN 4 1HE2 GLN 4 -7.036 -1.993 2.966 40 H CYS 5 H CYS 5 -5.494 -0.366 1.434 41 HA CYS 5 HA CYS 5 -3.278 -0.827 -0.249 42 1HB CYS 5 1HB CYS 5 -3.313 -1.326 2.133 43 2HB CYS 5 2HB CYS 5 -4.532 -2.581 1.888 44 H GLN 6 H GLN 6 -2.693 -2.765 -1.407 45 HA GLN 6 HA GLN 6 -5.019 -4.128 -2.724 46 1HB GLN 6 1HB GLN 6 -3.637 -4.163 -4.778 47 2HB GLN 6 2HB GLN 6 -3.811 -2.519 -4.192 48 1HG GLN 6 2HG GLN 6 -1.563 -2.728 -3.049 49 2HG GLN 6 1HG GLN 6 -1.403 -4.333 -3.738 50 1HE2 GLN 6 1HE2 GLN 6 -2.928 -2.151 -5.950 51 2HE2 GLN 6 2HE2 GLN 6 -1.541 -1.808 -6.866 52 H TYR 7 H TYR 7 -3.509 -4.892 -0.359 53 HA TYR 7 HA TYR 7 -2.647 -7.627 -1.186 54 1HB TYR 7 1HB TYR 7 -1.307 -5.823 0.871 55 2HB TYR 7 2HB TYR 7 -0.822 -7.476 0.518 56 HD1 TYR 7 HD1 TYR 7 -0.039 -8.000 -1.897 57 HD2 TYR 7 HD2 TYR 7 -0.481 -4.023 -0.435 58 HE1 TYR 7 HE1 TYR 7 1.374 -7.164 -3.717 59 HE2 TYR 7 HE2 TYR 7 0.935 -3.203 -2.254 60 HH TYR 7 HH TYR 7 1.534 -3.966 -4.578 61 H CYS 8 H CYS 8 -3.270 -5.557 1.585 62 HA CYS 8 HA CYS 8 -5.105 -7.613 2.777 63 1HB CYS 8 1HB CYS 8 -4.464 -6.836 4.964 64 2HB CYS 8 2HB CYS 8 -2.973 -7.180 4.100 65 H GLU 9 H GLU 9 -6.113 -5.932 4.743 66 HA GLU 9 HA GLU 9 -7.561 -3.904 3.097 67 1HB GLU 9 1HB GLU 9 -8.896 -5.944 3.950 68 2HB GLU 9 2HB GLU 9 -8.662 -5.328 5.570 69 1HG GLU 9 2HG GLU 9 -10.844 -4.560 4.686 70 2HG GLU 9 1HG GLU 9 -9.806 -3.171 4.902 71 H PHE 10 H PHE 10 -5.571 -2.838 3.743 72 HA PHE 10 HA PHE 10 -5.700 -1.396 6.360 73 1HB PHE 10 1HB PHE 10 -3.461 -2.304 5.921 74 2HB PHE 10 2HB PHE 10 -3.495 -1.768 4.249 75 HD1 PHE 10 HD1 PHE 10 -3.097 -0.614 7.771 76 HD2 PHE 10 HD2 PHE 10 -3.018 0.515 3.666 77 HE1 PHE 10 HE1 PHE 10 -2.055 1.527 8.374 78 HE2 PHE 10 HE2 PHE 10 -1.972 2.684 4.295 79 HZ PHE 10 HZ PHE 10 -1.504 3.183 6.595 80 H ARG 11 H ARG 11 -6.614 0.593 6.243 81 HA ARG 11 HA ARG 11 -6.823 1.915 3.555 82 1HB ARG 11 1HB ARG 11 -8.974 2.844 4.291 83 2HB ARG 11 2HB ARG 11 -8.999 1.095 4.395 84 1HG ARG 11 2HG ARG 11 -8.512 1.253 6.866 85 2HG ARG 11 1HG ARG 11 -8.593 2.999 6.750 86 1HD ARG 11 2HD ARG 11 -10.939 2.808 5.866 87 2HD ARG 11 1HD ARG 11 -10.865 1.078 6.175 88 HE ARG 11 HE ARG 11 -10.440 1.616 8.577 89 1HH1 ARG 11 2HH1 ARG 11 -11.341 4.353 6.664 90 2HH1 ARG 11 1HH1 ARG 11 -12.279 5.064 7.929 91 1HH2 ARG 11 1HH2 ARG 11 -11.801 2.404 10.126 92 2HH2 ARG 11 2HH2 ARG 11 -12.534 3.959 9.919 93 H SER 12 H SER 12 -6.070 3.898 3.350 94 HA SER 12 HA SER 12 -5.667 5.649 5.698 95 1HB SER 12 2HB SER 12 -3.437 4.748 3.797 96 2HB SER 12 1HB SER 12 -3.118 5.875 5.050 97 HG SER 12 HG SER 12 -3.161 4.405 6.476 98 H ALA 13 H ALA 13 -4.908 7.842 4.927 99 HA ALA 13 HA ALA 13 -5.910 8.470 2.178 100 1HB ALA 13 1HB ALA 13 -7.154 10.413 3.127 101 2HB ALA 13 2HB ALA 13 -6.646 9.955 4.750 102 3HB ALA 13 3HB ALA 13 -7.735 8.917 3.839 103 H ASP 14 H ASP 14 -3.328 8.076 2.888 104 HA ASP 14 HA ASP 14 -2.164 10.839 3.063 105 1HB ASP 14 1HB ASP 14 -1.577 9.248 4.909 106 2HB ASP 14 2HB ASP 14 -0.887 8.148 3.725 107 H SER 15 H SER 15 -1.246 7.714 1.800 108 HA SER 15 HA SER 15 -1.035 7.074 -0.520 109 1HB SER 15 2HB SER 15 -1.573 9.404 -1.480 110 2HB SER 15 1HB SER 15 0.076 9.910 -1.063 111 HG SER 15 HG SER 15 0.734 8.863 -2.726 112 H SER 16 H SER 16 1.356 9.516 0.498 113 HA SER 16 HA SER 16 3.683 8.128 -0.223 114 1HB SER 16 2HB SER 16 3.358 9.962 2.229 115 2HB SER 16 1HB SER 16 4.871 9.588 1.394 116 HG SER 16 HG SER 16 3.045 10.293 -0.417 117 H ASN 17 H ASN 17 1.868 8.022 2.736 118 HA ASN 17 HA ASN 17 3.553 5.974 3.956 119 1HB ASN 17 1HB ASN 17 1.007 7.384 4.834 120 2HB ASN 17 2HB ASN 17 1.831 6.187 5.827 121 1HD2 ASN 17 1HD2 ASN 17 4.558 7.229 4.614 122 2HD2 ASN 17 2HD2 ASN 17 4.825 8.643 5.506 123 H LEU 18 H LEU 18 0.917 5.838 1.806 124 HA LEU 18 HA LEU 18 -0.060 3.249 2.828 125 1HB LEU 18 1HB LEU 18 -1.629 4.690 1.450 126 2HB LEU 18 2HB LEU 18 -0.504 4.604 0.100 127 HG LEU 18 HG LEU 18 -0.863 2.172 -0.136 128 1HD1 LEU 18 1HD1 LEU 18 -2.478 0.950 1.295 129 2HD1 LEU 18 2HD1 LEU 18 -2.731 2.391 2.258 130 3HD1 LEU 18 3HD1 LEU 18 -1.175 1.566 2.285 131 1HD2 LEU 18 1HD2 LEU 18 -2.544 3.657 -1.203 132 2HD2 LEU 18 2HD2 LEU 18 -3.521 3.589 0.265 133 3HD2 LEU 18 3HD2 LEU 18 -3.267 2.140 -0.688 134 H LYS 19 H LYS 19 1.967 4.622 0.301 135 HA LYS 19 HA LYS 19 2.867 2.152 -0.849 136 1HB LYS 19 1HB LYS 19 4.383 4.832 -0.574 137 2HB LYS 19 2HB LYS 19 4.803 3.550 -1.695 138 1HG LYS 19 2HG LYS 19 2.618 3.831 -2.857 139 2HG LYS 19 1HG LYS 19 2.147 5.067 -1.722 140 1HD LYS 19 2HD LYS 19 2.916 6.212 -3.683 141 2HD LYS 19 1HD LYS 19 4.151 6.442 -2.462 142 1HE LYS 19 2HE LYS 19 5.176 5.867 -4.640 143 2HE LYS 19 1HE LYS 19 5.499 4.588 -3.481 144 1HZ LYS 19 1HZ LYS 19 4.228 4.404 -5.942 145 2HZ LYS 19 2HZ LYS 19 3.059 4.062 -4.759 146 3HZ LYS 19 3HZ LYS 19 4.498 3.169 -4.808 147 H THR 20 H THR 20 4.078 4.214 1.781 148 HA THR 20 HA THR 20 6.306 2.646 2.532 149 HB THR 20 HB THR 20 4.359 4.058 4.527 150 HG1 THR 20 HG1 THR 20 5.877 5.031 2.518 151 1HG2 THR 20 1HG2 THR 20 7.404 3.717 4.601 152 2HG2 THR 20 2HG2 THR 20 6.296 2.743 5.556 153 3HG2 THR 20 3HG2 THR 20 6.409 4.472 5.837 154 H HIS 21 H HIS 21 2.997 2.445 3.804 155 HA HIS 21 HA HIS 21 3.109 0.225 5.413 156 1HB HIS 21 1HB HIS 21 1.003 1.380 5.160 157 2HB HIS 21 2HB HIS 21 0.931 1.107 3.435 158 HD1 HIS 21 HD1 HIS 21 0.461 -0.781 6.621 159 HD2 HIS 21 HD2 HIS 21 -0.080 -1.305 2.609 160 HE1 HIS 21 HE1 HIS 21 -0.823 -2.879 6.366 161 H ILE 22 H ILE 22 2.467 0.064 1.879 162 HA ILE 22 HA ILE 22 2.588 -2.692 1.547 163 HB ILE 22 HB ILE 22 3.528 -0.465 -0.324 164 1HG1 ILE 22 2HG1 ILE 22 0.922 -2.069 -0.276 165 2HG1 ILE 22 1HG1 ILE 22 1.086 -0.505 0.484 166 1HG2 ILE 22 1HG2 ILE 22 2.950 -3.394 -0.963 167 2HG2 ILE 22 2HG2 ILE 22 4.533 -2.643 -1.029 168 3HG2 ILE 22 3HG2 ILE 22 3.293 -2.154 -2.159 169 1HD1 ILE 22 1HD ILE 22 1.640 0.528 -1.702 170 2HD1 ILE 22 2HD ILE 22 0.084 -0.275 -1.748 171 3HD1 ILE 22 3HD ILE 22 1.479 -1.029 -2.494 172 H LYS 23 H LYS 23 5.406 -0.509 1.395 173 HA LYS 23 HA LYS 23 7.338 -2.515 0.911 174 1HB LYS 23 1HB LYS 23 7.777 -0.142 0.490 175 2HB LYS 23 2HB LYS 23 7.558 0.252 2.177 176 1HG LYS 23 2HG LYS 23 9.932 0.252 1.675 177 2HG LYS 23 1HG LYS 23 9.600 -1.075 2.761 178 1HD LYS 23 2HD LYS 23 9.562 -2.641 0.766 179 2HD LYS 23 1HD LYS 23 9.946 -1.270 -0.264 180 1HE LYS 23 2HE LYS 23 12.022 -2.474 0.280 181 2HE LYS 23 1HE LYS 23 12.060 -0.924 1.099 182 1HZ LYS 23 1HZ LYS 23 12.236 -1.964 3.014 183 2HZ LYS 23 2HZ LYS 23 12.252 -3.459 2.208 184 3HZ LYS 23 3HZ LYS 23 10.782 -2.803 2.747 185 H THR 24 H THR 24 6.063 -1.413 3.926 186 HA THR 24 HA THR 24 8.034 -2.924 5.523 187 HB THR 24 HB THR 24 5.713 -1.139 6.428 188 HG1 THR 24 HG1 THR 24 8.093 -0.702 5.252 189 1HG2 THR 24 1HG2 THR 24 6.732 -2.683 8.244 190 2HG2 THR 24 2HG2 THR 24 7.027 -0.977 8.520 191 3HG2 THR 24 3HG2 THR 24 8.298 -1.991 7.859 192 H LYS 25 H LYS 25 4.683 -3.229 4.653 193 HA LYS 25 HA LYS 25 4.281 -5.508 6.482 194 1HB LYS 25 1HB LYS 25 2.270 -3.973 4.819 195 2HB LYS 25 2HB LYS 25 1.879 -5.162 6.046 196 1HG LYS 25 2HG LYS 25 3.332 -2.513 6.508 197 2HG LYS 25 1HG LYS 25 1.650 -2.825 6.857 198 1HD LYS 25 2HD LYS 25 2.287 -4.537 8.536 199 2HD LYS 25 1HD LYS 25 3.986 -4.241 8.204 200 1HE LYS 25 2HE LYS 25 3.264 -2.957 10.195 201 2HE LYS 25 1HE LYS 25 3.728 -1.867 8.898 202 1HZ LYS 25 1HZ LYS 25 1.005 -2.468 8.628 203 2HZ LYS 25 2HZ LYS 25 1.737 -0.976 8.970 204 3HZ LYS 25 3HZ LYS 25 1.298 -2.015 10.238 205 H HIS 26 H HIS 26 4.444 -4.969 2.988 206 HA HIS 26 HA HIS 26 3.695 -7.842 2.651 207 1HB HIS 26 1HB HIS 26 3.251 -5.534 0.731 208 2HB HIS 26 2HB HIS 26 2.794 -7.206 0.456 209 HD1 HIS 26 HD1 HIS 26 1.213 -8.117 2.575 210 HD2 HIS 26 HD2 HIS 26 1.198 -4.085 1.907 211 HE1 HIS 26 HE1 HIS 26 -0.819 -7.237 3.665 212 H SER 27 H SER 27 5.607 -5.327 1.323 213 HA SER 27 HA SER 27 8.070 -5.700 0.950 214 1HB SER 27 2HB SER 27 7.909 -8.248 0.667 215 2HB SER 27 1HB SER 27 7.027 -8.009 -0.850 216 HG SER 27 HG SER 27 9.323 -6.535 -0.662 217 H LYS 28 H LYS 28 8.976 -5.337 -1.390 218 HA LYS 28 HA LYS 28 6.959 -3.749 -2.938 219 1HB LYS 28 1HB LYS 28 8.826 -2.307 -3.622 220 2HB LYS 28 2HB LYS 28 8.737 -2.371 -1.876 221 1HG LYS 28 2HG LYS 28 10.577 -3.997 -1.786 222 2HG LYS 28 1HG LYS 28 10.622 -4.117 -3.536 223 1HD LYS 28 2HD LYS 28 11.133 -1.636 -3.623 224 2HD LYS 28 1HD LYS 28 11.297 -1.652 -1.878 225 1HE LYS 28 2HE LYS 28 12.923 -3.361 -3.805 226 2HE LYS 28 1HE LYS 28 13.504 -1.925 -2.978 227 1HZ LYS 28 1HZ LYS 28 13.463 -4.547 -2.054 228 2HZ LYS 28 2HZ LYS 28 12.406 -3.651 -1.074 229 3HZ LYS 28 3HZ LYS 28 14.021 -3.156 -1.254 230 H GLU 29 H GLU 29 8.187 -6.647 -3.053 231 HA GLU 29 HA GLU 29 9.118 -6.633 -5.877 232 1HB GLU 29 1HB GLU 29 10.369 -7.948 -4.118 233 2HB GLU 29 2HB GLU 29 8.937 -8.923 -3.868 234 1HG GLU 29 2HG GLU 29 9.035 -9.748 -6.200 235 2HG GLU 29 1HG GLU 29 10.382 -8.680 -6.554 236 H LYS 30 H LYS 30 8.214 -8.127 -7.346 237 HA LYS 30 HA LYS 30 5.331 -8.775 -6.945 238 1HB LYS 30 1HB LYS 30 5.049 -8.228 -9.400 239 2HB LYS 30 2HB LYS 30 5.417 -6.850 -8.397 240 1HG LYS 30 2HG LYS 30 7.668 -8.305 -9.832 241 2HG LYS 30 1HG LYS 30 6.681 -7.153 -10.702 242 1HD LYS 30 2HD LYS 30 7.278 -5.409 -8.948 243 2HD LYS 30 1HD LYS 30 8.393 -6.554 -8.230 244 1HE LYS 30 2HE LYS 30 9.647 -6.729 -10.339 245 2HE LYS 30 1HE LYS 30 8.538 -5.598 -11.102 246 1HZ LYS 30 1HZ LYS 30 9.461 -4.468 -8.715 247 2HZ LYS 30 2HZ LYS 30 9.723 -3.947 -10.309 248 3HZ LYS 30 3HZ LYS 30 10.801 -5.040 -9.588 Start of MODEL 22 1 1H LYS 1 1H LYS 1 -10.735 10.767 -3.264 2 2H LYS 1 2H LYS 1 -9.524 9.589 -3.099 3 3H LYS 1 3H LYS 1 -9.301 10.897 -4.161 4 HA LYS 1 HA LYS 1 -8.348 12.051 -2.579 5 1HB LYS 1 2HB LYS 1 -10.766 12.770 -2.198 6 2HB LYS 1 1HB LYS 1 -10.891 11.561 -0.942 7 1HG LYS 1 2HG LYS 1 -8.626 13.576 -0.786 8 2HG LYS 1 1HG LYS 1 -10.234 14.135 -0.416 9 1HD LYS 1 2HD LYS 1 -9.014 11.709 0.982 10 2HD LYS 1 1HD LYS 1 -8.843 13.347 1.575 11 1HE LYS 1 2HE LYS 1 -11.268 13.600 1.763 12 2HE LYS 1 1HE LYS 1 -11.541 12.025 1.042 13 1HZ LYS 1 1HZ LYS 1 -11.087 12.649 3.716 14 2HZ LYS 1 2HZ LYS 1 -9.783 11.695 3.181 15 3HZ LYS 1 3HZ LYS 1 -11.374 11.126 3.015 16 H THR 2 H THR 2 -9.833 9.095 -1.409 17 HA THR 2 HA THR 2 -7.641 8.730 0.597 18 HB THR 2 HB THR 2 -9.210 7.004 1.612 19 HG1 THR 2 HG1 THR 2 -10.641 6.297 0.258 20 1HG2 THR 2 1HG2 THR 2 -11.038 8.552 2.276 21 2HG2 THR 2 2HG2 THR 2 -10.722 9.587 0.897 22 3HG2 THR 2 3HG2 THR 2 -9.564 9.500 2.212 23 H TYR 3 H TYR 3 -6.777 6.463 0.781 24 HA TYR 3 HA TYR 3 -6.713 5.017 -1.804 25 1HB TYR 3 1HB TYR 3 -4.373 5.598 0.046 26 2HB TYR 3 2HB TYR 3 -4.304 4.788 -1.511 27 HD1 TYR 3 HD1 TYR 3 -5.475 6.242 -3.499 28 HD2 TYR 3 HD2 TYR 3 -3.944 7.887 0.121 29 HE1 TYR 3 HE1 TYR 3 -5.352 8.451 -4.550 30 HE2 TYR 3 HE2 TYR 3 -3.825 10.092 -0.936 31 HH TYR 3 HH TYR 3 -4.223 11.291 -2.739 32 H GLN 4 H GLN 4 -6.515 2.853 -1.709 33 HA GLN 4 HA GLN 4 -6.764 1.528 0.965 34 1HB GLN 4 1HB GLN 4 -8.902 1.501 -0.155 35 2HB GLN 4 2HB GLN 4 -8.186 1.054 -1.684 36 1HG GLN 4 2HG GLN 4 -9.368 -0.857 -0.680 37 2HG GLN 4 1HG GLN 4 -7.660 -1.211 -0.792 38 1HE2 GLN 4 2HE2 GLN 4 -7.097 -2.375 1.035 39 2HE2 GLN 4 1HE2 GLN 4 -7.605 -2.040 2.620 40 H CYS 5 H CYS 5 -5.967 -0.627 1.051 41 HA CYS 5 HA CYS 5 -3.496 -1.009 -0.546 42 1HB CYS 5 1HB CYS 5 -3.407 -1.153 1.904 43 2HB CYS 5 2HB CYS 5 -4.596 -2.457 1.895 44 H GLN 6 H GLN 6 -3.176 -2.801 -1.817 45 HA GLN 6 HA GLN 6 -5.611 -4.381 -2.553 46 1HB GLN 6 1HB GLN 6 -4.407 -2.829 -4.230 47 2HB GLN 6 2HB GLN 6 -3.074 -3.958 -4.179 48 1HG GLN 6 2HG GLN 6 -4.671 -5.794 -4.950 49 2HG GLN 6 1HG GLN 6 -5.921 -4.570 -5.064 50 1HE2 GLN 6 1HE2 GLN 6 -3.042 -3.037 -5.984 51 2HE2 GLN 6 2HE2 GLN 6 -3.160 -3.299 -7.658 52 H TYR 7 H TYR 7 -3.898 -4.936 -0.299 53 HA TYR 7 HA TYR 7 -3.012 -7.699 -1.020 54 1HB TYR 7 1HB TYR 7 -1.504 -5.880 0.918 55 2HB TYR 7 2HB TYR 7 -0.955 -7.417 0.269 56 HD1 TYR 7 HD1 TYR 7 -0.988 -7.480 -2.473 57 HD2 TYR 7 HD2 TYR 7 -0.647 -3.959 -0.107 58 HE1 TYR 7 HE1 TYR 7 -0.032 -6.279 -4.381 59 HE2 TYR 7 HE2 TYR 7 0.306 -2.772 -2.016 60 HH TYR 7 HH TYR 7 0.975 -4.388 -5.064 61 H CYS 8 H CYS 8 -3.457 -5.500 1.695 62 HA CYS 8 HA CYS 8 -5.037 -7.603 3.138 63 1HB CYS 8 1HB CYS 8 -4.183 -6.750 5.211 64 2HB CYS 8 2HB CYS 8 -2.796 -6.992 4.153 65 H GLU 9 H GLU 9 -5.910 -5.993 5.162 66 HA GLU 9 HA GLU 9 -7.913 -4.271 3.764 67 1HB GLU 9 1HB GLU 9 -8.001 -5.476 6.561 68 2HB GLU 9 2HB GLU 9 -9.318 -4.663 5.731 69 1HG GLU 9 2HG GLU 9 -9.320 -6.456 3.978 70 2HG GLU 9 1HG GLU 9 -7.992 -7.254 4.804 71 H PHE 10 H PHE 10 -5.753 -2.979 3.803 72 HA PHE 10 HA PHE 10 -5.672 -1.193 6.215 73 1HB PHE 10 1HB PHE 10 -3.466 -2.226 5.626 74 2HB PHE 10 2HB PHE 10 -3.594 -1.593 3.997 75 HD1 PHE 10 HD1 PHE 10 -3.241 -0.614 7.569 76 HD2 PHE 10 HD2 PHE 10 -3.093 0.721 3.531 77 HE1 PHE 10 HE1 PHE 10 -2.263 1.514 8.307 78 HE2 PHE 10 HE2 PHE 10 -2.115 2.869 4.288 79 HZ PHE 10 HZ PHE 10 -1.708 3.266 6.633 80 H ARG 11 H ARG 11 -6.585 0.715 5.942 81 HA ARG 11 HA ARG 11 -6.834 1.891 3.202 82 1HB ARG 11 1HB ARG 11 -9.138 2.558 3.744 83 2HB ARG 11 2HB ARG 11 -8.964 0.835 3.981 84 1HG ARG 11 2HG ARG 11 -8.546 1.330 6.473 85 2HG ARG 11 1HG ARG 11 -9.132 2.947 6.131 86 1HD ARG 11 2HD ARG 11 -10.672 0.349 5.775 87 2HD ARG 11 1HD ARG 11 -11.039 1.660 6.885 88 HE ARG 11 HE ARG 11 -11.415 3.068 4.773 89 1HH1 ARG 11 2HH1 ARG 11 -10.742 0.631 2.939 90 2HH1 ARG 11 1HH1 ARG 11 -12.347 0.163 2.525 91 1HH2 ARG 11 1HH2 ARG 11 -13.884 1.985 5.044 92 2HH2 ARG 11 2HH2 ARG 11 -14.136 0.908 3.709 93 H SER 12 H SER 12 -6.098 3.945 3.131 94 HA SER 12 HA SER 12 -5.988 5.626 5.571 95 1HB SER 12 2HB SER 12 -3.539 4.809 3.929 96 2HB SER 12 1HB SER 12 -3.406 5.948 5.212 97 HG SER 12 HG SER 12 -3.538 4.442 6.612 98 H ALA 13 H ALA 13 -5.119 7.892 4.915 99 HA ALA 13 HA ALA 13 -6.085 8.493 2.132 100 1HB ALA 13 1HB ALA 13 -7.056 10.584 3.059 101 2HB ALA 13 2HB ALA 13 -6.528 10.119 4.670 102 3HB ALA 13 3HB ALA 13 -7.746 9.167 3.839 103 H ASP 14 H ASP 14 -3.471 7.958 2.521 104 HA ASP 14 HA ASP 14 -2.224 10.684 2.291 105 1HB ASP 14 1HB ASP 14 -1.537 9.577 4.392 106 2HB ASP 14 2HB ASP 14 -0.959 8.176 3.499 107 H SER 15 H SER 15 -1.072 7.461 1.724 108 HA SER 15 HA SER 15 -0.739 6.341 -0.391 109 1HB SER 15 2HB SER 15 -1.471 8.333 -1.885 110 2HB SER 15 1HB SER 15 0.111 9.081 -1.573 111 HG SER 15 HG SER 15 0.935 7.706 -2.903 112 H SER 16 H SER 16 1.119 9.173 0.664 113 HA SER 16 HA SER 16 3.717 8.109 0.162 114 1HB SER 16 2HB SER 16 3.323 10.546 0.718 115 2HB SER 16 1HB SER 16 2.954 10.084 2.387 116 HG SER 16 HG SER 16 5.341 10.275 1.170 117 H ASN 17 H ASN 17 1.465 7.716 2.824 118 HA ASN 17 HA ASN 17 3.439 5.955 4.226 119 1HB ASN 17 1HB ASN 17 2.446 7.880 5.509 120 2HB ASN 17 2HB ASN 17 0.852 7.153 5.323 121 1HD2 ASN 17 2HD2 ASN 17 0.289 5.999 7.173 122 2HD2 ASN 17 1HD2 ASN 17 1.375 5.137 8.155 123 H LEU 18 H LEU 18 1.661 5.425 1.866 124 HA LEU 18 HA LEU 18 0.166 3.034 2.840 125 1HB LEU 18 1HB LEU 18 -1.178 4.729 1.434 126 2HB LEU 18 2HB LEU 18 0.019 4.525 0.161 127 HG LEU 18 HG LEU 18 -0.613 2.249 -0.275 128 1HD1 LEU 18 1HD1 LEU 18 -2.397 1.091 1.027 129 2HD1 LEU 18 2HD1 LEU 18 -2.508 2.469 2.106 130 3HD1 LEU 18 3HD1 LEU 18 -1.053 1.478 2.081 131 1HD2 LEU 18 1HD2 LEU 18 -2.997 2.557 -0.904 132 2HD2 LEU 18 2HD2 LEU 18 -2.106 4.037 -1.215 133 3HD2 LEU 18 3HD2 LEU 18 -3.124 3.907 0.215 134 H LYS 19 H LYS 19 2.429 4.426 0.587 135 HA LYS 19 HA LYS 19 3.320 1.895 -0.514 136 1HB LYS 19 1HB LYS 19 4.483 4.735 -0.574 137 2HB LYS 19 2HB LYS 19 5.191 3.394 -1.457 138 1HG LYS 19 2HG LYS 19 3.081 3.070 -2.709 139 2HG LYS 19 1HG LYS 19 2.322 4.374 -1.809 140 1HD LYS 19 2HD LYS 19 3.738 6.040 -2.809 141 2HD LYS 19 1HD LYS 19 4.867 4.839 -3.412 142 1HE LYS 19 2HE LYS 19 3.458 5.661 -5.247 143 2HE LYS 19 1HE LYS 19 3.109 3.968 -4.956 144 1HZ LYS 19 1HZ LYS 19 1.350 6.080 -4.996 145 2HZ LYS 19 2HZ LYS 19 1.395 5.596 -3.378 146 3HZ LYS 19 3HZ LYS 19 1.019 4.466 -4.587 147 H THR 20 H THR 20 3.955 3.745 2.292 148 HA THR 20 HA THR 20 6.511 2.357 2.935 149 HB THR 20 HB THR 20 4.845 4.521 4.394 150 HG1 THR 20 HG1 THR 20 5.792 5.586 2.849 151 1HG2 THR 20 1HG2 THR 20 7.737 3.636 4.851 152 2HG2 THR 20 2HG2 THR 20 6.431 3.235 5.959 153 3HG2 THR 20 3HG2 THR 20 6.885 4.905 5.711 154 H HIS 21 H HIS 21 3.364 1.799 3.063 155 HA HIS 21 HA HIS 21 3.413 0.073 5.505 156 1HB HIS 21 1HB HIS 21 1.300 1.340 5.319 157 2HB HIS 21 2HB HIS 21 1.234 1.175 3.582 158 HD1 HIS 21 HD1 HIS 21 0.492 -0.787 6.652 159 HD2 HIS 21 HD2 HIS 21 0.146 -1.171 2.596 160 HE1 HIS 21 HE1 HIS 21 -0.911 -2.780 6.255 161 H ILE 22 H ILE 22 2.372 -0.162 2.062 162 HA ILE 22 HA ILE 22 2.618 -2.839 1.607 163 HB ILE 22 HB ILE 22 3.554 -0.547 -0.213 164 1HG1 ILE 22 2HG1 ILE 22 0.931 -2.103 -0.147 165 2HG1 ILE 22 1HG1 ILE 22 1.129 -0.577 0.658 166 1HG2 ILE 22 1HG2 ILE 22 4.473 -2.760 -0.970 167 2HG2 ILE 22 2HG2 ILE 22 3.249 -2.191 -2.079 168 3HG2 ILE 22 3HG2 ILE 22 2.859 -3.436 -0.903 169 1HD1 ILE 22 1HD ILE 22 1.477 -0.975 -2.340 170 2HD1 ILE 22 2HD ILE 22 1.669 0.546 -1.480 171 3HD1 ILE 22 3HD ILE 22 0.099 -0.233 -1.546 172 H LYS 23 H LYS 23 5.260 -0.506 1.483 173 HA LYS 23 HA LYS 23 7.293 -2.669 1.714 174 1HB LYS 23 1HB LYS 23 7.730 -1.311 -0.124 175 2HB LYS 23 2HB LYS 23 7.401 0.195 0.700 176 1HG LYS 23 2HG LYS 23 9.432 -0.182 2.120 177 2HG LYS 23 1HG LYS 23 9.730 -1.698 1.289 178 1HD LYS 23 2HD LYS 23 10.093 -0.553 -0.826 179 2HD LYS 23 1HD LYS 23 9.553 0.980 -0.171 180 1HE LYS 23 2HE LYS 23 12.011 -0.523 0.829 181 2HE LYS 23 1HE LYS 23 12.057 0.808 -0.322 182 1HZ LYS 23 1HZ LYS 23 11.956 0.928 2.459 183 2HZ LYS 23 2HZ LYS 23 10.519 1.607 1.860 184 3HZ LYS 23 3HZ LYS 23 12.021 2.208 1.341 185 H THR 24 H THR 24 7.448 -1.356 5.079 186 HA THR 24 HA THR 24 7.421 -3.716 3.229 187 HB THR 24 HB THR 24 9.555 -3.206 3.924 188 HG1 THR 24 HG1 THR 24 8.312 -5.496 4.367 189 1HG2 THR 24 1HG2 THR 24 10.294 -3.439 6.337 190 2HG2 THR 24 2HG2 THR 24 8.635 -3.686 6.833 191 3HG2 THR 24 3HG2 THR 24 9.134 -2.131 6.194 192 H LYS 25 H LYS 25 5.159 -3.555 3.786 193 HA LYS 25 HA LYS 25 4.397 -5.284 6.125 194 1HB LYS 25 1HB LYS 25 2.707 -3.567 4.248 195 2HB LYS 25 2HB LYS 25 1.980 -4.827 5.223 196 1HG LYS 25 2HG LYS 25 3.767 -3.105 6.815 197 2HG LYS 25 1HG LYS 25 2.454 -2.219 6.081 198 1HD LYS 25 2HD LYS 25 1.748 -3.052 8.290 199 2HD LYS 25 1HD LYS 25 0.812 -3.846 7.047 200 1HE LYS 25 2HE LYS 25 2.202 -5.870 7.214 201 2HE LYS 25 1HE LYS 25 3.228 -5.092 8.408 202 1HZ LYS 25 1HZ LYS 25 0.846 -6.474 8.807 203 2HZ LYS 25 2HZ LYS 25 0.559 -4.851 9.215 204 3HZ LYS 25 3HZ LYS 25 1.819 -5.701 9.966 205 H HIS 26 H HIS 26 4.410 -5.154 2.633 206 HA HIS 26 HA HIS 26 3.706 -8.047 2.490 207 1HB HIS 26 1HB HIS 26 2.994 -5.914 0.425 208 2HB HIS 26 2HB HIS 26 2.435 -7.578 0.464 209 HD1 HIS 26 HD1 HIS 26 1.216 -8.007 3.019 210 HD2 HIS 26 HD2 HIS 26 1.033 -4.243 1.417 211 HE1 HIS 26 HE1 HIS 26 -0.659 -6.864 4.139 212 H SER 27 H SER 27 6.255 -7.165 2.797 213 HA SER 27 HA SER 27 8.217 -6.537 1.354 214 1HB SER 27 2HB SER 27 9.407 -8.778 1.649 215 2HB SER 27 1HB SER 27 8.573 -8.214 3.101 216 HG SER 27 HG SER 27 6.942 -9.584 1.393 217 H LYS 28 H LYS 28 8.043 -5.960 -0.765 218 HA LYS 28 HA LYS 28 7.561 -8.072 -2.815 219 1HB LYS 28 1HB LYS 28 7.622 -5.037 -2.948 220 2HB LYS 28 2HB LYS 28 7.485 -6.047 -4.377 221 1HG LYS 28 2HG LYS 28 5.457 -7.144 -3.325 222 2HG LYS 28 1HG LYS 28 5.560 -5.965 -2.026 223 1HD LYS 28 2HD LYS 28 5.200 -4.113 -3.558 224 2HD LYS 28 1HD LYS 28 5.360 -5.164 -4.954 225 1HE LYS 28 2HE LYS 28 2.991 -4.707 -4.510 226 2HE LYS 28 1HE LYS 28 3.315 -6.413 -4.236 227 1HZ LYS 28 1HZ LYS 28 2.583 -6.198 -2.190 228 2HZ LYS 28 2HZ LYS 28 2.255 -4.560 -2.496 229 3HZ LYS 28 3HZ LYS 28 3.761 -5.017 -1.845 230 H GLU 29 H GLU 29 9.694 -8.734 -1.832 231 HA GLU 29 HA GLU 29 11.930 -7.810 -3.588 232 1HB GLU 29 1HB GLU 29 13.451 -8.254 -1.656 233 2HB GLU 29 2HB GLU 29 12.268 -7.021 -1.270 234 1HG GLU 29 2HG GLU 29 10.815 -8.872 -0.214 235 2HG GLU 29 1HG GLU 29 12.171 -9.955 -0.442 236 H LYS 30 H LYS 30 13.535 -9.489 -3.981 237 HA LYS 30 HA LYS 30 12.449 -12.276 -3.813 238 1HB LYS 30 1HB LYS 30 13.445 -12.690 -6.070 239 2HB LYS 30 2HB LYS 30 12.164 -11.495 -6.096 240 1HG LYS 30 2HG LYS 30 13.740 -9.661 -6.271 241 2HG LYS 30 1HG LYS 30 15.103 -10.706 -5.924 242 1HD LYS 30 2HD LYS 30 14.952 -10.199 -8.355 243 2HD LYS 30 1HD LYS 30 14.799 -11.912 -8.034 244 1HE LYS 30 2HE LYS 30 13.141 -11.150 -9.722 245 2HE LYS 30 1HE LYS 30 12.327 -11.765 -8.298 246 1HZ LYS 30 1HZ LYS 30 12.089 -9.262 -9.471 247 2HZ LYS 30 2HZ LYS 30 12.822 -9.022 -7.959 248 3HZ LYS 30 3HZ LYS 30 11.332 -9.830 -8.060 Start of MODEL 23 1 1H LYS 1 1H LYS 1 -12.608 8.987 -1.400 2 2H LYS 1 2H LYS 1 -10.952 8.801 -1.724 3 3H LYS 1 3H LYS 1 -11.756 10.220 -2.198 4 HA LYS 1 HA LYS 1 -11.249 11.164 -0.295 5 1HB LYS 1 2HB LYS 1 -13.427 10.249 0.497 6 2HB LYS 1 1HB LYS 1 -12.666 8.736 0.912 7 1HG LYS 1 2HG LYS 1 -13.001 10.039 2.946 8 2HG LYS 1 1HG LYS 1 -11.282 9.929 2.643 9 1HD LYS 1 2HD LYS 1 -11.306 12.224 1.644 10 2HD LYS 1 1HD LYS 1 -13.039 12.319 1.918 11 1HE LYS 1 2HE LYS 1 -12.667 12.082 4.368 12 2HE LYS 1 1HE LYS 1 -10.936 11.955 4.100 13 1HZ LYS 1 1HZ LYS 1 -10.803 14.126 4.119 14 2HZ LYS 1 2HZ LYS 1 -12.474 14.245 4.389 15 3HZ LYS 1 3HZ LYS 1 -11.867 14.247 2.802 16 H THR 2 H THR 2 -10.854 7.703 0.260 17 HA THR 2 HA THR 2 -8.023 8.139 1.132 18 HB THR 2 HB THR 2 -9.260 7.399 3.057 19 HG1 THR 2 HG1 THR 2 -8.496 4.885 2.527 20 1HG2 THR 2 1HG2 THR 2 -10.676 5.324 3.051 21 2HG2 THR 2 2HG2 THR 2 -10.335 5.077 1.347 22 3HG2 THR 2 3HG2 THR 2 -11.320 6.438 1.859 23 H TYR 3 H TYR 3 -6.799 6.084 0.977 24 HA TYR 3 HA TYR 3 -7.139 4.789 -1.692 25 1HB TYR 3 1HB TYR 3 -4.575 5.129 -0.075 26 2HB TYR 3 2HB TYR 3 -4.702 4.634 -1.755 27 HD1 TYR 3 HD1 TYR 3 -6.223 6.496 -3.180 28 HD2 TYR 3 HD2 TYR 3 -3.814 7.274 0.245 29 HE1 TYR 3 HE1 TYR 3 -6.041 8.847 -3.840 30 HE2 TYR 3 HE2 TYR 3 -3.639 9.624 -0.411 31 HH TYR 3 HH TYR 3 -4.072 11.131 -1.974 32 H GLN 4 H GLN 4 -6.909 2.585 -1.716 33 HA GLN 4 HA GLN 4 -6.857 1.217 0.943 34 1HB GLN 4 1HB GLN 4 -9.064 1.170 -0.098 35 2HB GLN 4 2HB GLN 4 -8.396 0.574 -1.598 36 1HG GLN 4 2HG GLN 4 -9.486 -1.243 -0.286 37 2HG GLN 4 1HG GLN 4 -7.783 -1.566 -0.532 38 1HE2 GLN 4 2HE2 GLN 4 -6.917 -2.442 1.330 39 2HE2 GLN 4 1HE2 GLN 4 -7.304 -1.955 2.909 40 H CYS 5 H CYS 5 -5.585 -0.452 1.226 41 HA CYS 5 HA CYS 5 -3.327 -0.926 -0.495 42 1HB CYS 5 1HB CYS 5 -3.247 -1.129 1.963 43 2HB CYS 5 2HB CYS 5 -4.420 -2.448 1.904 44 H GLN 6 H GLN 6 -2.856 -2.819 -1.687 45 HA GLN 6 HA GLN 6 -5.268 -4.382 -2.550 46 1HB GLN 6 1HB GLN 6 -4.064 -4.721 -4.685 47 2HB GLN 6 2HB GLN 6 -4.205 -3.012 -4.325 48 1HG GLN 6 2HG GLN 6 -1.900 -2.839 -3.643 49 2HG GLN 6 1HG GLN 6 -1.711 -4.579 -3.539 50 1HE2 GLN 6 2HE2 GLN 6 -0.611 -5.428 -5.256 51 2HE2 GLN 6 1HE2 GLN 6 -0.607 -4.808 -6.835 52 H TYR 7 H TYR 7 -3.529 -4.884 -0.261 53 HA TYR 7 HA TYR 7 -2.667 -7.673 -0.921 54 1HB TYR 7 1HB TYR 7 -1.322 -5.710 0.984 55 2HB TYR 7 2HB TYR 7 -0.765 -7.342 0.653 56 HD1 TYR 7 HD1 TYR 7 -0.411 -7.864 -1.961 57 HD2 TYR 7 HD2 TYR 7 -0.367 -3.957 -0.273 58 HE1 TYR 7 HE1 TYR 7 0.833 -7.035 -3.900 59 HE2 TYR 7 HE2 TYR 7 0.873 -3.139 -2.215 60 HH TYR 7 HH TYR 7 1.645 -5.245 -4.950 61 H CYS 8 H CYS 8 -3.377 -5.427 1.695 62 HA CYS 8 HA CYS 8 -5.070 -7.502 3.043 63 1HB CYS 8 1HB CYS 8 -4.381 -6.648 5.176 64 2HB CYS 8 2HB CYS 8 -2.898 -6.876 4.261 65 H GLU 9 H GLU 9 -6.092 -5.814 4.939 66 HA GLU 9 HA GLU 9 -7.815 -3.979 3.318 67 1HB GLU 9 1HB GLU 9 -8.346 -5.463 5.930 68 2HB GLU 9 2HB GLU 9 -9.489 -4.358 5.179 69 1HG GLU 9 2HG GLU 9 -9.512 -5.787 3.128 70 2HG GLU 9 1HG GLU 9 -8.392 -6.907 3.884 71 H PHE 10 H PHE 10 -5.689 -2.815 3.691 72 HA PHE 10 HA PHE 10 -5.687 -1.156 6.181 73 1HB PHE 10 1HB PHE 10 -3.490 -2.195 5.725 74 2HB PHE 10 2HB PHE 10 -3.552 -1.686 4.045 75 HD1 PHE 10 HD1 PHE 10 -2.826 -0.601 7.482 76 HD2 PHE 10 HD2 PHE 10 -3.216 0.685 3.440 77 HE1 PHE 10 HE1 PHE 10 -1.681 1.499 8.034 78 HE2 PHE 10 HE2 PHE 10 -2.072 2.811 4.017 79 HZ PHE 10 HZ PHE 10 -1.317 3.218 6.273 80 H ARG 11 H ARG 11 -6.398 0.883 5.982 81 HA ARG 11 HA ARG 11 -6.561 2.108 3.262 82 1HB ARG 11 1HB ARG 11 -8.746 3.128 3.997 83 2HB ARG 11 2HB ARG 11 -8.810 1.389 3.846 84 1HG ARG 11 2HG ARG 11 -8.476 1.165 6.327 85 2HG ARG 11 1HG ARG 11 -8.498 2.914 6.469 86 1HD ARG 11 2HD ARG 11 -10.780 1.244 5.349 87 2HD ARG 11 1HD ARG 11 -10.714 1.924 6.971 88 HE ARG 11 HE ARG 11 -10.741 3.592 4.475 89 1HH1 ARG 11 2HH2 ARG 11 -12.892 2.746 6.731 90 2HH1 ARG 11 1HH2 ARG 11 -13.148 4.312 7.423 91 1HH2 ARG 11 1HH1 ARG 11 -10.395 5.710 5.766 92 2HH2 ARG 11 2HH1 ARG 11 -11.696 6.035 6.864 93 H SER 12 H SER 12 -5.787 4.066 3.125 94 HA SER 12 HA SER 12 -5.460 5.807 5.520 95 1HB SER 12 2HB SER 12 -3.161 4.977 3.683 96 2HB SER 12 1HB SER 12 -2.917 6.045 5.001 97 HG SER 12 HG SER 12 -3.034 4.533 6.376 98 H ALA 13 H ALA 13 -5.156 8.029 4.954 99 HA ALA 13 HA ALA 13 -5.927 8.616 2.112 100 1HB ALA 13 1HB ALA 13 -7.160 10.574 3.053 101 2HB ALA 13 2HB ALA 13 -6.665 10.092 4.671 102 3HB ALA 13 3HB ALA 13 -7.737 9.061 3.734 103 H ASP 14 H ASP 14 -3.282 8.320 2.716 104 HA ASP 14 HA ASP 14 -2.292 11.171 2.653 105 1HB ASP 14 1HB ASP 14 -1.584 9.762 4.680 106 2HB ASP 14 2HB ASP 14 -0.696 8.745 3.559 107 H SER 15 H SER 15 -1.322 7.956 1.798 108 HA SER 15 HA SER 15 -1.067 7.093 -0.458 109 1HB SER 15 2HB SER 15 -1.273 9.398 -1.655 110 2HB SER 15 1HB SER 15 0.371 9.769 -1.105 111 HG SER 15 HG SER 15 0.276 7.292 -2.147 112 H SER 16 H SER 16 1.273 9.330 0.985 113 HA SER 16 HA SER 16 3.624 7.801 0.493 114 1HB SER 16 2HB SER 16 3.196 9.492 3.021 115 2HB SER 16 1HB SER 16 4.698 9.221 2.129 116 HG SER 16 HG SER 16 2.508 10.767 1.562 117 H ASN 17 H ASN 17 1.501 8.020 3.267 118 HA ASN 17 HA ASN 17 2.586 6.084 4.970 119 1HB ASN 17 1HB ASN 17 -0.349 6.835 4.525 120 2HB ASN 17 2HB ASN 17 0.247 5.936 5.910 121 1HD2 ASN 17 1HD2 ASN 17 -0.164 7.545 7.514 122 2HD2 ASN 17 2HD2 ASN 17 0.617 9.051 7.531 123 H LEU 18 H LEU 18 0.197 5.646 2.379 124 HA LEU 18 HA LEU 18 -0.150 2.847 2.764 125 1HB LEU 18 1HB LEU 18 -1.754 4.284 1.519 126 2HB LEU 18 2HB LEU 18 -0.540 4.571 0.274 127 HG LEU 18 HG LEU 18 -0.604 2.253 -0.453 128 1HD1 LEU 18 1HD1 LEU 18 -2.147 0.608 0.573 129 2HD1 LEU 18 2HD1 LEU 18 -2.634 1.794 1.772 130 3HD1 LEU 18 3HD1 LEU 18 -0.999 1.142 1.781 131 1HD2 LEU 18 1HD2 LEU 18 -3.418 3.328 0.016 132 2HD2 LEU 18 2HD2 LEU 18 -2.979 2.143 -1.203 133 3HD2 LEU 18 3HD2 LEU 18 -2.369 3.786 -1.322 134 H LYS 19 H LYS 19 1.883 4.513 0.334 135 HA LYS 19 HA LYS 19 2.952 2.116 -0.786 136 1HB LYS 19 1HB LYS 19 3.179 4.824 -1.337 137 2HB LYS 19 2HB LYS 19 4.728 4.571 -0.569 138 1HG LYS 19 2HG LYS 19 3.702 2.910 -2.903 139 2HG LYS 19 1HG LYS 19 4.708 4.328 -3.105 140 1HD LYS 19 2HD LYS 19 6.496 3.229 -1.735 141 2HD LYS 19 1HD LYS 19 5.494 1.788 -1.601 142 1HE LYS 19 2HE LYS 19 7.135 1.504 -3.412 143 2HE LYS 19 1HE LYS 19 5.519 1.541 -4.093 144 1HZ LYS 19 1HZ LYS 19 6.100 3.243 -5.330 145 2HZ LYS 19 2HZ LYS 19 7.677 3.168 -4.707 146 3HZ LYS 19 3HZ LYS 19 6.516 4.160 -3.963 147 H THR 20 H THR 20 4.199 4.124 1.871 148 HA THR 20 HA THR 20 6.465 2.526 2.433 149 HB THR 20 HB THR 20 4.697 4.190 4.367 150 HG1 THR 20 HG1 THR 20 5.361 5.373 2.709 151 1HG2 THR 20 1HG2 THR 20 6.816 4.489 5.634 152 2HG2 THR 20 2HG2 THR 20 7.709 3.550 4.454 153 3HG2 THR 20 3HG2 THR 20 6.549 2.759 5.507 154 H HIS 21 H HIS 21 3.118 2.344 3.645 155 HA HIS 21 HA HIS 21 3.355 0.199 5.411 156 1HB HIS 21 1HB HIS 21 1.237 1.343 5.274 157 2HB HIS 21 2HB HIS 21 1.083 1.110 3.554 158 HD1 HIS 21 HD1 HIS 21 0.830 -0.902 6.698 159 HD2 HIS 21 HD2 HIS 21 -0.116 -1.195 2.737 160 HE1 HIS 21 HE1 HIS 21 -0.542 -2.947 6.460 161 H ILE 22 H ILE 22 2.558 0.023 1.928 162 HA ILE 22 HA ILE 22 2.582 -2.719 1.538 163 HB ILE 22 HB ILE 22 3.533 -0.477 -0.297 164 1HG1 ILE 22 2HG1 ILE 22 0.904 -2.038 -0.173 165 2HG1 ILE 22 1HG1 ILE 22 1.132 -0.483 0.573 166 1HG2 ILE 22 1HG2 ILE 22 2.909 -3.387 -1.015 167 2HG2 ILE 22 2HG2 ILE 22 4.486 -2.630 -1.105 168 3HG2 ILE 22 3HG2 ILE 22 3.214 -2.109 -2.180 169 1HD1 ILE 22 1HD ILE 22 1.405 -1.017 -2.412 170 2HD1 ILE 22 2HD ILE 22 1.643 0.533 -1.629 171 3HD1 ILE 22 3HD ILE 22 0.058 -0.227 -1.625 172 H LYS 23 H LYS 23 5.475 -0.624 1.433 173 HA LYS 23 HA LYS 23 7.260 -2.829 0.874 174 1HB LYS 23 1HB LYS 23 7.704 -0.009 1.857 175 2HB LYS 23 2HB LYS 23 9.045 -1.134 1.706 176 1HG LYS 23 2HG LYS 23 8.382 -1.553 -0.685 177 2HG LYS 23 1HG LYS 23 7.129 -0.343 -0.543 178 1HD LYS 23 2HD LYS 23 10.092 0.214 -0.068 179 2HD LYS 23 1HD LYS 23 9.292 0.476 -1.604 180 1HE LYS 23 2HE LYS 23 7.703 2.065 -0.430 181 2HE LYS 23 1HE LYS 23 8.644 1.870 1.037 182 1HZ LYS 23 1HZ LYS 23 9.141 3.561 -1.115 183 2HZ LYS 23 2HZ LYS 23 10.401 2.431 -1.051 184 3HZ LYS 23 3HZ LYS 23 10.039 3.374 0.313 185 H THR 24 H THR 24 6.478 -1.207 3.894 186 HA THR 24 HA THR 24 8.274 -2.676 5.557 187 HB THR 24 HB THR 24 5.715 -1.183 6.360 188 HG1 THR 24 HG1 THR 24 6.967 0.109 5.179 189 1HG2 THR 24 1HG2 THR 24 6.961 -2.515 8.217 190 2HG2 THR 24 2HG2 THR 24 6.991 -0.775 8.455 191 3HG2 THR 24 3HG2 THR 24 8.400 -1.601 7.805 192 H LYS 25 H LYS 25 4.904 -3.181 4.766 193 HA LYS 25 HA LYS 25 4.748 -5.602 6.427 194 1HB LYS 25 1HB LYS 25 2.666 -3.840 5.131 195 2HB LYS 25 2HB LYS 25 2.220 -5.322 5.946 196 1HG LYS 25 2HG LYS 25 3.607 -2.855 7.106 197 2HG LYS 25 1HG LYS 25 1.958 -3.342 7.393 198 1HD LYS 25 2HD LYS 25 4.416 -4.902 8.342 199 2HD LYS 25 1HD LYS 25 3.438 -3.850 9.325 200 1HE LYS 25 2HE LYS 25 2.680 -6.091 9.772 201 2HE LYS 25 1HE LYS 25 1.434 -5.339 8.796 202 1HZ LYS 25 1HZ LYS 25 2.849 -7.667 8.287 203 2HZ LYS 25 2HZ LYS 25 3.295 -6.553 7.092 204 3HZ LYS 25 3HZ LYS 25 1.657 -6.933 7.320 205 H HIS 26 H HIS 26 4.262 -4.693 3.049 206 HA HIS 26 HA HIS 26 3.796 -7.591 2.454 207 1HB HIS 26 1HB HIS 26 3.005 -5.174 0.827 208 2HB HIS 26 2HB HIS 26 2.622 -6.842 0.443 209 HD1 HIS 26 HD1 HIS 26 1.327 -7.967 2.764 210 HD2 HIS 26 HD2 HIS 26 0.935 -3.976 2.025 211 HE1 HIS 26 HE1 HIS 26 -0.711 -7.231 3.961 212 H SER 27 H SER 27 6.589 -6.324 2.493 213 HA SER 27 HA SER 27 7.290 -7.254 -0.281 214 1HB SER 27 2HB SER 27 8.458 -4.827 1.153 215 2HB SER 27 1HB SER 27 9.046 -5.481 -0.376 216 HG SER 27 HG SER 27 6.357 -5.296 -0.430 217 H LYS 28 H LYS 28 9.485 -6.129 2.147 218 HA LYS 28 HA LYS 28 10.445 -8.957 2.532 219 1HB LYS 28 1HB LYS 28 12.250 -6.500 2.400 220 2HB LYS 28 2HB LYS 28 12.755 -8.172 2.479 221 1HG LYS 28 2HG LYS 28 11.248 -6.916 0.144 222 2HG LYS 28 1HG LYS 28 12.965 -7.241 0.179 223 1HD LYS 28 2HD LYS 28 12.562 -9.666 0.332 224 2HD LYS 28 1HD LYS 28 10.832 -9.421 0.408 225 1HE LYS 28 2HE LYS 28 10.951 -8.278 -1.855 226 2HE LYS 28 1HE LYS 28 12.651 -8.721 -1.928 227 1HZ LYS 28 1HZ LYS 28 11.175 -11.001 -1.256 228 2HZ LYS 28 2HZ LYS 28 12.070 -10.694 -2.667 229 3HZ LYS 28 3HZ LYS 28 10.429 -10.261 -2.589 230 H GLU 29 H GLU 29 11.170 -9.510 4.511 231 HA GLU 29 HA GLU 29 10.923 -7.518 6.723 232 1HB GLU 29 1HB GLU 29 9.699 -10.313 6.569 233 2HB GLU 29 2HB GLU 29 9.786 -9.380 8.056 234 1HG GLU 29 2HG GLU 29 8.510 -7.514 6.924 235 2HG GLU 29 1HG GLU 29 8.390 -8.497 5.473 236 H LYS 30 H LYS 30 13.272 -7.766 5.938 237 HA LYS 30 HA LYS 30 14.687 -9.747 7.690 238 1HB LYS 30 1HB LYS 30 15.438 -8.598 4.974 239 2HB LYS 30 2HB LYS 30 16.650 -9.289 6.039 240 1HG LYS 30 2HG LYS 30 15.392 -11.438 6.081 241 2HG LYS 30 1HG LYS 30 14.187 -10.755 5.003 242 1HD LYS 30 2HD LYS 30 15.806 -10.489 3.212 243 2HD LYS 30 1HD LYS 30 17.145 -10.869 4.276 244 1HE LYS 30 2HE LYS 30 14.920 -12.836 3.592 245 2HE LYS 30 1HE LYS 30 16.487 -12.799 2.799 246 1HZ LYS 30 1HZ LYS 30 15.797 -14.021 5.216 247 2HZ LYS 30 2HZ LYS 30 16.931 -12.802 5.552 248 3HZ LYS 30 3HZ LYS 30 17.298 -14.013 4.420 Start of MODEL 24 1 1H LYS 1 1H LYS 1 -9.213 11.096 -2.464 2 2H LYS 1 2H LYS 1 -7.507 11.013 -2.343 3 3H LYS 1 3H LYS 1 -8.352 12.258 -1.580 4 HA LYS 1 HA LYS 1 -7.713 9.674 -0.655 5 1HB LYS 1 2HB LYS 1 -9.184 12.002 0.691 6 2HB LYS 1 1HB LYS 1 -8.307 10.722 1.515 7 1HG LYS 1 2HG LYS 1 -6.169 11.477 0.562 8 2HG LYS 1 1HG LYS 1 -6.972 12.665 -0.445 9 1HD LYS 1 2HD LYS 1 -7.855 13.755 1.688 10 2HD LYS 1 1HD LYS 1 -6.792 12.691 2.589 11 1HE LYS 1 2HE LYS 1 -5.808 14.574 0.405 12 2HE LYS 1 1HE LYS 1 -5.805 14.973 2.113 13 1HZ LYS 1 1HZ LYS 1 -4.555 12.495 1.842 14 2HZ LYS 1 2HZ LYS 1 -3.895 13.978 2.299 15 3HZ LYS 1 3HZ LYS 1 -3.910 13.528 0.663 16 H THR 2 H THR 2 -10.946 8.153 -0.082 17 HA THR 2 HA THR 2 -8.169 8.446 0.932 18 HB THR 2 HB THR 2 -9.784 7.803 2.618 19 HG1 THR 2 HG1 THR 2 -8.333 6.539 3.291 20 1HG2 THR 2 1HG2 THR 2 -10.362 5.334 0.865 21 2HG2 THR 2 2HG2 THR 2 -11.520 6.642 1.064 22 3HG2 THR 2 3HG2 THR 2 -11.068 5.651 2.437 23 H TYR 3 H TYR 3 -7.050 6.317 1.004 24 HA TYR 3 HA TYR 3 -7.148 4.914 -1.628 25 1HB TYR 3 1HB TYR 3 -4.709 5.582 0.046 26 2HB TYR 3 2HB TYR 3 -4.688 4.914 -1.578 27 HD1 TYR 3 HD1 TYR 3 -6.723 6.637 -2.960 28 HD2 TYR 3 HD2 TYR 3 -3.760 7.699 -0.092 29 HE1 TYR 3 HE1 TYR 3 -6.744 8.932 -3.782 30 HE2 TYR 3 HE2 TYR 3 -3.768 9.987 -0.913 31 HH TYR 3 HH TYR 3 -5.731 11.464 -2.227 32 H GLN 4 H GLN 4 -6.743 2.728 -1.588 33 HA GLN 4 HA GLN 4 -6.597 1.464 1.126 34 1HB GLN 4 1HB GLN 4 -8.859 1.511 -0.277 35 2HB GLN 4 2HB GLN 4 -8.097 0.235 -1.197 36 1HG GLN 4 2HG GLN 4 -8.228 0.019 1.827 37 2HG GLN 4 1HG GLN 4 -9.641 -0.352 0.867 38 1HE2 GLN 4 1HE2 GLN 4 -6.914 -1.742 2.227 39 2HE2 GLN 4 2HE2 GLN 4 -6.857 -3.163 1.314 40 H CYS 5 H CYS 5 -5.702 -0.564 1.199 41 HA CYS 5 HA CYS 5 -3.328 -0.912 -0.476 42 1HB CYS 5 1HB CYS 5 -3.196 -1.218 1.920 43 2HB CYS 5 2HB CYS 5 -4.463 -2.445 1.879 44 H GLN 6 H GLN 6 -2.793 -3.057 -1.448 45 HA GLN 6 HA GLN 6 -5.240 -4.497 -2.401 46 1HB GLN 6 1HB GLN 6 -4.054 -2.877 -4.066 47 2HB GLN 6 2HB GLN 6 -2.720 -4.005 -4.053 48 1HG GLN 6 2HG GLN 6 -4.119 -4.492 -5.993 49 2HG GLN 6 1HG GLN 6 -4.297 -5.825 -4.873 50 1HE2 GLN 6 2HE2 GLN 6 -6.055 -3.620 -6.748 51 2HE2 GLN 6 1HE2 GLN 6 -7.563 -3.812 -5.992 52 H TYR 7 H TYR 7 -3.819 -5.163 -0.198 53 HA TYR 7 HA TYR 7 -2.819 -7.880 -0.883 54 1HB TYR 7 1HB TYR 7 -1.447 -5.934 1.035 55 2HB TYR 7 2HB TYR 7 -0.929 -7.587 0.735 56 HD1 TYR 7 HD1 TYR 7 -0.309 -8.197 -1.732 57 HD2 TYR 7 HD2 TYR 7 -0.679 -4.186 -0.360 58 HE1 TYR 7 HE1 TYR 7 0.980 -7.409 -3.662 59 HE2 TYR 7 HE2 TYR 7 0.596 -3.409 -2.283 60 HH TYR 7 HH TYR 7 1.863 -4.000 -4.012 61 H CYS 8 H CYS 8 -3.504 -5.608 1.686 62 HA CYS 8 HA CYS 8 -5.177 -7.637 3.116 63 1HB CYS 8 1HB CYS 8 -4.471 -6.674 5.210 64 2HB CYS 8 2HB CYS 8 -3.015 -6.966 4.274 65 H GLU 9 H GLU 9 -6.222 -5.929 4.936 66 HA GLU 9 HA GLU 9 -7.990 -4.160 3.280 67 1HB GLU 9 1HB GLU 9 -9.687 -4.512 5.104 68 2HB GLU 9 2HB GLU 9 -9.256 -5.987 4.282 69 1HG GLU 9 2HG GLU 9 -8.074 -5.132 6.974 70 2HG GLU 9 1HG GLU 9 -9.447 -6.200 6.812 71 H PHE 10 H PHE 10 -5.883 -2.946 3.685 72 HA PHE 10 HA PHE 10 -6.002 -1.247 6.143 73 1HB PHE 10 1HB PHE 10 -3.797 -2.264 5.749 74 2HB PHE 10 2HB PHE 10 -3.796 -1.734 4.073 75 HD1 PHE 10 HD1 PHE 10 -3.448 -0.641 7.580 76 HD2 PHE 10 HD2 PHE 10 -3.239 0.596 3.505 77 HE1 PHE 10 HE1 PHE 10 -2.339 1.436 8.262 78 HE2 PHE 10 HE2 PHE 10 -2.135 2.695 4.218 79 HZ PHE 10 HZ PHE 10 -1.692 3.114 6.556 80 H ARG 11 H ARG 11 -6.840 0.731 5.893 81 HA ARG 11 HA ARG 11 -6.846 1.989 3.187 82 1HB ARG 11 1HB ARG 11 -9.090 3.061 3.966 83 2HB ARG 11 2HB ARG 11 -9.145 1.412 3.408 84 1HG ARG 11 2HG ARG 11 -8.910 2.054 6.374 85 2HG ARG 11 1HG ARG 11 -10.466 2.005 5.566 86 1HD ARG 11 2HD ARG 11 -9.941 -0.339 4.791 87 2HD ARG 11 1HD ARG 11 -8.491 -0.327 5.784 88 HE ARG 11 HE ARG 11 -10.074 0.147 7.737 89 1HH1 ARG 11 2HH1 ARG 11 -9.929 -2.669 6.744 90 2HH1 ARG 11 1HH1 ARG 11 -11.602 -3.122 6.655 91 1HH2 ARG 11 2HH2 ARG 11 -12.679 0.223 6.771 92 2HH2 ARG 11 1HH2 ARG 11 -13.207 -1.421 6.654 93 H SER 12 H SER 12 -6.041 3.936 3.189 94 HA SER 12 HA SER 12 -5.920 5.595 5.645 95 1HB SER 12 2HB SER 12 -3.574 4.497 4.053 96 2HB SER 12 1HB SER 12 -3.300 5.816 5.130 97 HG SER 12 HG SER 12 -4.133 3.233 5.696 98 H ALA 13 H ALA 13 -5.308 7.860 5.128 99 HA ALA 13 HA ALA 13 -6.220 8.557 2.350 100 1HB ALA 13 1HB ALA 13 -6.225 10.231 4.898 101 2HB ALA 13 2HB ALA 13 -7.626 9.400 4.234 102 3HB ALA 13 3HB ALA 13 -6.884 10.715 3.344 103 H ASP 14 H ASP 14 -3.505 7.834 3.365 104 HA ASP 14 HA ASP 14 -2.043 10.282 2.423 105 1HB ASP 14 1HB ASP 14 -1.704 9.414 4.907 106 2HB ASP 14 2HB ASP 14 -0.829 8.099 4.155 107 H SER 15 H SER 15 -0.159 9.772 1.188 108 HA SER 15 HA SER 15 -0.387 7.231 -0.377 109 1HB SER 15 2HB SER 15 -0.821 9.190 -1.790 110 2HB SER 15 1HB SER 15 0.576 10.047 -1.148 111 HG SER 15 HG SER 15 1.260 7.560 -2.003 112 H SER 16 H SER 16 1.957 9.658 0.762 113 HA SER 16 HA SER 16 4.312 8.167 0.427 114 1HB SER 16 2HB SER 16 3.623 10.140 2.666 115 2HB SER 16 1HB SER 16 5.262 9.629 2.240 116 HG SER 16 HG SER 16 3.948 10.303 0.011 117 H ASN 17 H ASN 17 1.987 8.044 3.060 118 HA ASN 17 HA ASN 17 3.536 6.025 4.549 119 1HB ASN 17 1HB ASN 17 0.882 7.378 5.196 120 2HB ASN 17 2HB ASN 17 1.785 6.328 6.273 121 1HD2 ASN 17 2HD2 ASN 17 2.834 7.540 7.797 122 2HD2 ASN 17 1HD2 ASN 17 3.613 9.023 7.512 123 H LEU 18 H LEU 18 1.649 5.768 1.965 124 HA LEU 18 HA LEU 18 0.237 3.289 2.823 125 1HB LEU 18 1HB LEU 18 -1.228 4.930 1.753 126 2HB LEU 18 2HB LEU 18 -0.131 5.097 0.386 127 HG LEU 18 HG LEU 18 -0.580 2.748 -0.285 128 1HD1 LEU 18 1HD1 LEU 18 -1.015 1.774 2.028 129 2HD1 LEU 18 2HD1 LEU 18 -2.315 1.403 0.914 130 3HD1 LEU 18 3HD1 LEU 18 -2.511 2.690 2.086 131 1HD2 LEU 18 1HD2 LEU 18 -2.097 4.526 -1.108 132 2HD2 LEU 18 2HD2 LEU 18 -3.119 4.296 0.308 133 3HD2 LEU 18 3HD2 LEU 18 -2.966 3.019 -0.895 134 H LYS 19 H LYS 19 2.311 4.729 0.343 135 HA LYS 19 HA LYS 19 2.918 2.249 -0.978 136 1HB LYS 19 1HB LYS 19 4.411 4.935 -0.787 137 2HB LYS 19 2HB LYS 19 4.965 3.629 -1.826 138 1HG LYS 19 2HG LYS 19 2.661 3.621 -2.909 139 2HG LYS 19 1HG LYS 19 2.258 5.034 -1.953 140 1HD LYS 19 2HD LYS 19 3.929 6.376 -3.048 141 2HD LYS 19 1HD LYS 19 4.654 4.974 -3.822 142 1HE LYS 19 2HE LYS 19 3.233 6.135 -5.459 143 2HE LYS 19 1HE LYS 19 2.500 4.589 -5.072 144 1HZ LYS 19 1HZ LYS 19 1.382 7.103 -4.883 145 2HZ LYS 19 2HZ LYS 19 1.547 6.567 -3.290 146 3HZ LYS 19 3HZ LYS 19 0.694 5.626 -4.418 147 H THR 20 H THR 20 4.293 4.005 1.747 148 HA THR 20 HA THR 20 6.514 2.195 2.178 149 HB THR 20 HB THR 20 4.991 4.004 4.205 150 HG1 THR 20 HG1 THR 20 6.611 4.471 2.103 151 1HG2 THR 20 1HG2 THR 20 7.870 2.914 4.214 152 2HG2 THR 20 2HG2 THR 20 6.598 2.275 5.237 153 3HG2 THR 20 3HG2 THR 20 7.152 3.921 5.463 154 H HIS 21 H HIS 21 3.205 2.410 3.454 155 HA HIS 21 HA HIS 21 3.180 0.213 5.185 156 1HB HIS 21 1HB HIS 21 1.101 1.490 4.972 157 2HB HIS 21 2HB HIS 21 0.987 1.207 3.256 158 HD1 HIS 21 HD1 HIS 21 0.609 -0.697 6.446 159 HD2 HIS 21 HD2 HIS 21 -0.229 -1.139 2.473 160 HE1 HIS 21 HE1 HIS 21 -0.755 -2.750 6.249 161 H ILE 22 H ILE 22 2.472 0.119 1.692 162 HA ILE 22 HA ILE 22 2.397 -2.665 1.361 163 HB ILE 22 HB ILE 22 3.198 -0.444 -0.562 164 1HG1 ILE 22 2HG1 ILE 22 0.543 -1.901 -0.125 165 2HG1 ILE 22 1HG1 ILE 22 0.906 -0.294 0.450 166 1HG2 ILE 22 1HG2 ILE 22 2.472 -3.341 -1.188 167 2HG2 ILE 22 2HG2 ILE 22 4.040 -2.605 -1.439 168 3HG2 ILE 22 3HG2 ILE 22 2.677 -2.085 -2.397 169 1HD1 ILE 22 1HD ILE 22 1.217 0.498 -1.878 170 2HD1 ILE 22 2HD ILE 22 -0.390 -0.162 -1.618 171 3HD1 ILE 22 3HD ILE 22 0.808 -1.100 -2.483 172 H LYS 23 H LYS 23 5.193 -0.557 1.361 173 HA LYS 23 HA LYS 23 7.026 -2.760 0.671 174 1HB LYS 23 1HB LYS 23 7.097 -0.342 -0.245 175 2HB LYS 23 2HB LYS 23 7.725 0.127 1.317 176 1HG LYS 23 2HG LYS 23 9.667 -1.435 0.988 177 2HG LYS 23 1HG LYS 23 9.010 -1.877 -0.578 178 1HD LYS 23 2HD LYS 23 9.101 0.624 -1.191 179 2HD LYS 23 1HD LYS 23 9.945 0.887 0.325 180 1HE LYS 23 2HE LYS 23 11.564 0.671 -1.509 181 2HE LYS 23 1HE LYS 23 11.746 -0.693 -0.418 182 1HZ LYS 23 1HZ LYS 23 11.196 -0.729 -3.143 183 2HZ LYS 23 2HZ LYS 23 9.819 -1.327 -2.354 184 3HZ LYS 23 3HZ LYS 23 11.329 -2.050 -2.084 185 H THR 24 H THR 24 5.618 -1.885 3.455 186 HA THR 24 HA THR 24 8.000 -2.596 5.138 187 HB THR 24 HB THR 24 5.614 -0.829 5.937 188 HG1 THR 24 HG1 THR 24 7.830 -0.438 4.489 189 1HG2 THR 24 1HG2 THR 24 8.356 -1.292 7.255 190 2HG2 THR 24 2HG2 THR 24 6.873 -1.991 7.882 191 3HG2 THR 24 3HG2 THR 24 7.073 -0.248 7.857 192 H LYS 25 H LYS 25 4.575 -3.005 4.740 193 HA LYS 25 HA LYS 25 4.336 -5.119 6.762 194 1HB LYS 25 1HB LYS 25 2.322 -3.627 5.030 195 2HB LYS 25 2HB LYS 25 1.844 -4.873 6.159 196 1HG LYS 25 2HG LYS 25 3.330 -2.282 6.855 197 2HG LYS 25 1HG LYS 25 1.615 -2.526 7.061 198 1HD LYS 25 2HD LYS 25 3.747 -4.146 8.522 199 2HD LYS 25 1HD LYS 25 2.857 -2.799 9.194 200 1HE LYS 25 2HE LYS 25 0.716 -4.035 8.858 201 2HE LYS 25 1HE LYS 25 1.605 -5.408 8.211 202 1HZ LYS 25 1HZ LYS 25 1.075 -4.800 10.865 203 2HZ LYS 25 2HZ LYS 25 2.755 -4.687 10.652 204 3HZ LYS 25 3HZ LYS 25 1.938 -6.119 10.235 205 H HIS 26 H HIS 26 4.153 -4.612 3.303 206 HA HIS 26 HA HIS 26 3.746 -7.571 2.943 207 1HB HIS 26 1HB HIS 26 3.179 -5.308 0.978 208 2HB HIS 26 2HB HIS 26 2.836 -7.003 0.728 209 HD1 HIS 26 HD1 HIS 26 1.260 -7.952 2.870 210 HD2 HIS 26 HD2 HIS 26 1.038 -3.966 2.008 211 HE1 HIS 26 HE1 HIS 26 -0.854 -7.142 3.867 212 H SER 27 H SER 27 6.103 -7.247 3.623 213 HA SER 27 HA SER 27 7.805 -7.275 1.156 214 1HB SER 27 2HB SER 27 8.531 -6.206 3.940 215 2HB SER 27 1HB SER 27 9.612 -6.226 2.527 216 HG SER 27 HG SER 27 7.577 -4.553 3.103 217 H LYS 28 H LYS 28 6.596 -9.461 1.873 218 HA LYS 28 HA LYS 28 6.864 -11.460 3.348 219 1HB LYS 28 1HB LYS 28 6.544 -11.613 0.856 220 2HB LYS 28 2HB LYS 28 8.281 -11.702 0.669 221 1HG LYS 28 2HG LYS 28 7.444 -13.954 0.576 222 2HG LYS 28 1HG LYS 28 8.264 -13.803 2.116 223 1HD LYS 28 2HD LYS 28 6.129 -13.499 3.300 224 2HD LYS 28 1HD LYS 28 5.246 -13.459 1.784 225 1HE LYS 28 2HE LYS 28 6.831 -15.855 2.812 226 2HE LYS 28 1HE LYS 28 5.084 -15.684 2.884 227 1HZ LYS 28 1HZ LYS 28 6.649 -16.637 0.792 228 2HZ LYS 28 2HZ LYS 28 5.925 -15.199 0.255 229 3HZ LYS 28 3HZ LYS 28 4.962 -16.468 0.848 230 H GLU 29 H GLU 29 8.224 -11.136 5.094 231 HA GLU 29 HA GLU 29 11.113 -11.863 4.712 232 1HB GLU 29 1HB GLU 29 10.502 -9.605 5.749 233 2HB GLU 29 2HB GLU 29 9.778 -10.479 7.090 234 1HG GLU 29 2HG GLU 29 12.041 -11.576 7.505 235 2HG GLU 29 1HG GLU 29 12.696 -10.593 6.212 236 H LYS 30 H LYS 30 9.507 -13.815 4.418 237 HA LYS 30 HA LYS 30 9.481 -15.443 6.926 238 1HB LYS 30 1HB LYS 30 7.194 -15.162 6.411 239 2HB LYS 30 2HB LYS 30 7.477 -15.092 4.693 240 1HG LYS 30 2HG LYS 30 6.306 -17.164 5.274 241 2HG LYS 30 1HG LYS 30 7.889 -17.550 4.648 242 1HD LYS 30 2HD LYS 30 8.712 -17.795 7.053 243 2HD LYS 30 1HD LYS 30 7.066 -17.523 7.589 244 1HE LYS 30 2HE LYS 30 7.899 -19.745 5.680 245 2HE LYS 30 1HE LYS 30 7.659 -19.973 7.404 246 1HZ LYS 30 1HZ LYS 30 5.756 -20.018 5.375 247 2HZ LYS 30 2HZ LYS 30 5.414 -18.673 6.358 248 3HZ LYS 30 3HZ LYS 30 5.526 -20.224 7.045 Start of MODEL 25 1 1H LYS 1 1H LYS 1 -11.041 11.252 -1.136 2 2H LYS 1 2H LYS 1 -10.981 12.167 0.291 3 3H LYS 1 3H LYS 1 -10.858 10.476 0.368 4 HA LYS 1 HA LYS 1 -8.876 11.415 -1.373 5 1HB LYS 1 2HB LYS 1 -7.548 12.784 0.286 6 2HB LYS 1 1HB LYS 1 -9.037 13.588 -0.174 7 1HG LYS 1 2HG LYS 1 -10.108 13.109 1.875 8 2HG LYS 1 1HG LYS 1 -9.061 11.768 2.271 9 1HD LYS 1 2HD LYS 1 -7.167 13.467 2.570 10 2HD LYS 1 1HD LYS 1 -8.367 14.736 2.387 11 1HE LYS 1 2HE LYS 1 -9.647 13.817 4.319 12 2HE LYS 1 1HE LYS 1 -8.491 12.505 4.473 13 1HZ LYS 1 1HZ LYS 1 -7.264 13.760 5.743 14 2HZ LYS 1 2HZ LYS 1 -8.374 15.035 5.599 15 3HZ LYS 1 3HZ LYS 1 -7.074 14.909 4.507 16 H THR 2 H THR 2 -9.801 8.959 -0.413 17 HA THR 2 HA THR 2 -7.618 8.101 1.463 18 HB THR 2 HB THR 2 -10.171 6.536 0.913 19 HG1 THR 2 HG1 THR 2 -10.042 7.813 3.281 20 1HG2 THR 2 1HG2 THR 2 -8.301 6.625 3.346 21 2HG2 THR 2 2HG2 THR 2 -8.235 5.345 2.146 22 3HG2 THR 2 3HG2 THR 2 -9.669 5.550 3.133 23 H TYR 3 H TYR 3 -6.744 6.132 1.153 24 HA TYR 3 HA TYR 3 -6.663 4.999 -1.606 25 1HB TYR 3 1HB TYR 3 -4.253 5.415 0.225 26 2HB TYR 3 2HB TYR 3 -4.225 4.969 -1.470 27 HD1 TYR 3 HD1 TYR 3 -5.409 6.724 -3.116 28 HD2 TYR 3 HD2 TYR 3 -4.097 7.664 0.826 29 HE1 TYR 3 HE1 TYR 3 -5.447 9.110 -3.667 30 HE2 TYR 3 HE2 TYR 3 -4.144 10.047 0.268 31 HH TYR 3 HH TYR 3 -5.214 11.182 -2.909 32 H GLN 4 H GLN 4 -6.449 2.774 -1.650 33 HA GLN 4 HA GLN 4 -6.503 1.350 0.985 34 1HB GLN 4 1HB GLN 4 -8.719 1.340 -0.003 35 2HB GLN 4 2HB GLN 4 -8.088 0.865 -1.562 36 1HG GLN 4 2HG GLN 4 -9.203 -1.021 -0.353 37 2HG GLN 4 1HG GLN 4 -7.531 -1.372 -0.726 38 1HE2 GLN 4 1HE2 GLN 4 -6.597 -2.441 0.960 39 2HE2 GLN 4 2HE2 GLN 4 -6.874 -2.144 2.610 40 H CYS 5 H CYS 5 -5.274 -0.373 1.250 41 HA CYS 5 HA CYS 5 -3.004 -0.869 -0.416 42 1HB CYS 5 1HB CYS 5 -3.051 -1.271 2.038 43 2HB CYS 5 2HB CYS 5 -4.254 -2.537 1.805 44 H GLN 6 H GLN 6 -2.589 -2.614 -1.817 45 HA GLN 6 HA GLN 6 -5.025 -4.088 -2.779 46 1HB GLN 6 1HB GLN 6 -2.391 -3.611 -4.245 47 2HB GLN 6 2HB GLN 6 -3.861 -4.251 -4.943 48 1HG GLN 6 2HG GLN 6 -3.511 -1.411 -3.883 49 2HG GLN 6 1HG GLN 6 -3.540 -1.878 -5.570 50 1HE2 GLN 6 1HE2 GLN 6 -5.537 -1.730 -6.568 51 2HE2 GLN 6 2HE2 GLN 6 -7.028 -1.693 -5.757 52 H TYR 7 H TYR 7 -3.603 -4.808 -0.499 53 HA TYR 7 HA TYR 7 -2.658 -7.531 -1.238 54 1HB TYR 7 1HB TYR 7 -1.293 -5.601 0.721 55 2HB TYR 7 2HB TYR 7 -0.815 -7.269 0.477 56 HD1 TYR 7 HD1 TYR 7 -0.252 -8.000 -1.956 57 HD2 TYR 7 HD2 TYR 7 -0.435 -3.914 -0.763 58 HE1 TYR 7 HE1 TYR 7 1.051 -7.364 -3.928 59 HE2 TYR 7 HE2 TYR 7 0.860 -3.286 -2.738 60 HH TYR 7 HH TYR 7 1.936 -3.978 -4.543 61 H CYS 8 H CYS 8 -3.382 -5.404 1.487 62 HA CYS 8 HA CYS 8 -5.155 -7.516 2.664 63 1HB CYS 8 1HB CYS 8 -4.493 -6.805 4.867 64 2HB CYS 8 2HB CYS 8 -3.016 -7.069 3.959 65 H GLU 9 H GLU 9 -6.212 -5.985 4.626 66 HA GLU 9 HA GLU 9 -7.863 -3.998 3.124 67 1HB GLU 9 1HB GLU 9 -9.504 -4.477 5.101 68 2HB GLU 9 2HB GLU 9 -9.313 -5.682 3.859 69 1HG GLU 9 2HG GLU 9 -9.355 -6.683 6.129 70 2HG GLU 9 1HG GLU 9 -7.864 -7.037 5.291 71 H PHE 10 H PHE 10 -5.725 -2.873 3.666 72 HA PHE 10 HA PHE 10 -5.961 -1.307 6.213 73 1HB PHE 10 1HB PHE 10 -3.751 -2.427 6.005 74 2HB PHE 10 2HB PHE 10 -3.559 -1.822 4.363 75 HD1 PHE 10 HD1 PHE 10 -4.051 -0.587 7.889 76 HD2 PHE 10 HD2 PHE 10 -2.465 0.229 4.019 77 HE1 PHE 10 HE1 PHE 10 -3.055 1.490 8.732 78 HE2 PHE 10 HE2 PHE 10 -1.484 2.359 4.894 79 HZ PHE 10 HZ PHE 10 -1.763 2.959 7.180 80 H ARG 11 H ARG 11 -6.646 0.717 5.959 81 HA ARG 11 HA ARG 11 -6.497 2.025 3.263 82 1HB ARG 11 1HB ARG 11 -8.631 3.137 3.822 83 2HB ARG 11 2HB ARG 11 -8.820 1.400 3.842 84 1HG ARG 11 2HG ARG 11 -8.461 1.499 6.393 85 2HG ARG 11 1HG ARG 11 -8.570 3.246 6.254 86 1HD ARG 11 2HD ARG 11 -10.824 3.073 5.297 87 2HD ARG 11 1HD ARG 11 -10.725 1.312 5.304 88 HE ARG 11 HE ARG 11 -10.780 3.027 7.760 89 1HH1 ARG 11 1HH1 ARG 11 -13.169 1.419 6.959 90 2HH1 ARG 11 2HH1 ARG 11 -12.981 -0.017 7.911 91 1HH2 ARG 11 2HH2 ARG 11 -9.609 0.645 8.593 92 2HH2 ARG 11 1HH2 ARG 11 -10.906 -0.470 8.863 93 H SER 12 H SER 12 -5.802 4.088 3.223 94 HA SER 12 HA SER 12 -5.245 5.522 5.786 95 1HB SER 12 2HB SER 12 -3.052 5.142 3.635 96 2HB SER 12 1HB SER 12 -2.778 5.638 5.243 97 HG SER 12 HG SER 12 -3.027 3.799 5.999 98 H ALA 13 H ALA 13 -4.874 7.857 5.401 99 HA ALA 13 HA ALA 13 -6.119 8.741 2.819 100 1HB ALA 13 1HB ALA 13 -7.638 9.010 4.740 101 2HB ALA 13 2HB ALA 13 -7.159 10.582 4.114 102 3HB ALA 13 3HB ALA 13 -6.432 9.963 5.588 103 H ASP 14 H ASP 14 -3.472 8.441 2.836 104 HA ASP 14 HA ASP 14 -2.462 11.256 2.750 105 1HB ASP 14 1HB ASP 14 -1.438 10.200 4.689 106 2HB ASP 14 2HB ASP 14 -1.018 8.774 3.756 107 H SER 15 H SER 15 -1.411 8.055 1.872 108 HA SER 15 HA SER 15 -1.461 7.157 -0.414 109 1HB SER 15 2HB SER 15 -1.838 9.345 -1.648 110 2HB SER 15 1HB SER 15 -0.197 9.865 -1.227 111 HG SER 15 HG SER 15 -0.971 8.250 -3.191 112 H SER 16 H SER 16 1.272 9.429 0.223 113 HA SER 16 HA SER 16 3.278 7.528 -0.450 114 1HB SER 16 2HB SER 16 4.888 9.078 0.674 115 2HB SER 16 1HB SER 16 3.700 10.037 -0.207 116 HG SER 16 HG SER 16 3.446 10.919 1.672 117 H ASN 17 H ASN 17 1.464 7.992 2.456 118 HA ASN 17 HA ASN 17 3.180 6.382 4.169 119 1HB ASN 17 1HB ASN 17 0.288 7.343 4.484 120 2HB ASN 17 2HB ASN 17 1.123 6.386 5.692 121 1HD2 ASN 17 1HD2 ASN 17 1.576 7.843 7.339 122 2HD2 ASN 17 2HD2 ASN 17 2.378 9.322 7.124 123 H LEU 18 H LEU 18 0.228 5.849 2.250 124 HA LEU 18 HA LEU 18 -0.198 3.150 3.068 125 1HB LEU 18 1HB LEU 18 -1.914 4.434 1.743 126 2HB LEU 18 2HB LEU 18 -0.811 4.495 0.374 127 HG LEU 18 HG LEU 18 -0.915 2.003 0.182 128 1HD1 LEU 18 1HD1 LEU 18 -1.410 1.449 2.545 129 2HD1 LEU 18 2HD1 LEU 18 -2.620 0.770 1.480 130 3HD1 LEU 18 3HD1 LEU 18 -2.989 2.210 2.408 131 1HD2 LEU 18 1HD2 LEU 18 -2.506 3.389 -1.111 132 2HD2 LEU 18 2HD2 LEU 18 -3.643 3.333 0.232 133 3HD2 LEU 18 3HD2 LEU 18 -3.233 1.865 -0.637 134 H LYS 19 H LYS 19 1.588 4.451 0.294 135 HA LYS 19 HA LYS 19 2.496 1.929 -0.682 136 1HB LYS 19 1HB LYS 19 4.214 4.500 -0.683 137 2HB LYS 19 2HB LYS 19 4.308 3.196 -1.847 138 1HG LYS 19 2HG LYS 19 2.041 5.196 -1.541 139 2HG LYS 19 1HG LYS 19 3.192 5.098 -2.844 140 1HD LYS 19 2HD LYS 19 2.284 2.995 -3.640 141 2HD LYS 19 1HD LYS 19 1.236 2.845 -2.238 142 1HE LYS 19 2HE LYS 19 1.052 5.158 -4.218 143 2HE LYS 19 1HE LYS 19 0.028 3.729 -4.260 144 1HZ LYS 19 1HZ LYS 19 -1.266 4.669 -2.768 145 2HZ LYS 19 2HZ LYS 19 -0.255 6.030 -2.672 146 3HZ LYS 19 3HZ LYS 19 0.009 4.711 -1.649 147 H THR 20 H THR 20 3.967 4.059 1.772 148 HA THR 20 HA THR 20 6.215 2.392 2.251 149 HB THR 20 HB THR 20 4.607 4.200 4.213 150 HG1 THR 20 HG1 THR 20 5.398 5.350 2.558 151 1HG2 THR 20 1HG2 THR 20 6.359 2.622 5.349 152 2HG2 THR 20 2HG2 THR 20 6.728 4.333 5.469 153 3HG2 THR 20 3HG2 THR 20 7.560 3.339 4.282 154 H HIS 21 H HIS 21 3.030 2.348 3.932 155 HA HIS 21 HA HIS 21 3.309 0.169 5.587 156 1HB HIS 21 1HB HIS 21 1.133 1.145 5.593 157 2HB HIS 21 2HB HIS 21 0.941 1.065 3.860 158 HD1 HIS 21 HD1 HIS 21 0.680 -1.170 6.849 159 HD2 HIS 21 HD2 HIS 21 -0.069 -1.281 2.838 160 HE1 HIS 21 HE1 HIS 21 -0.594 -3.249 6.435 161 H ILE 22 H ILE 22 2.317 -0.094 2.164 162 HA ILE 22 HA ILE 22 2.382 -2.835 1.872 163 HB ILE 22 HB ILE 22 3.130 -0.675 -0.155 164 1HG1 ILE 22 2HG1 ILE 22 0.479 -2.102 0.384 165 2HG1 ILE 22 1HG1 ILE 22 0.852 -0.498 0.970 166 1HG2 ILE 22 1HG2 ILE 22 3.905 -2.914 -0.916 167 2HG2 ILE 22 2HG2 ILE 22 2.562 -2.352 -1.880 168 3HG2 ILE 22 3HG2 ILE 22 2.303 -3.565 -0.631 169 1HD1 ILE 22 1HD ILE 22 1.108 0.321 -1.360 170 2HD1 ILE 22 2HD ILE 22 -0.487 -0.346 -1.069 171 3HD1 ILE 22 3HD ILE 22 0.697 -1.274 -1.965 172 H LYS 23 H LYS 23 5.139 -0.724 1.214 173 HA LYS 23 HA LYS 23 6.940 -2.819 0.560 174 1HB LYS 23 1HB LYS 23 7.478 0.044 1.424 175 2HB LYS 23 2HB LYS 23 8.651 -1.026 0.657 176 1HG LYS 23 2HG LYS 23 7.125 -1.312 -1.296 177 2HG LYS 23 1HG LYS 23 5.952 -0.239 -0.569 178 1HD LYS 23 2HD LYS 23 7.789 1.557 -0.568 179 2HD LYS 23 1HD LYS 23 8.714 0.460 -1.582 180 1HE LYS 23 2HE LYS 23 5.925 1.520 -2.235 181 2HE LYS 23 1HE LYS 23 7.419 2.050 -2.990 182 1HZ LYS 23 1HZ LYS 23 7.226 0.423 -4.427 183 2HZ LYS 23 2HZ LYS 23 5.797 -0.106 -3.676 184 3HZ LYS 23 3HZ LYS 23 7.294 -0.733 -3.185 185 H THR 24 H THR 24 6.060 -1.657 3.694 186 HA THR 24 HA THR 24 8.400 -3.103 4.885 187 HB THR 24 HB THR 24 8.177 -0.662 5.502 188 HG1 THR 24 HG1 THR 24 9.000 -1.424 7.261 189 1HG2 THR 24 1HG2 THR 24 5.583 -0.603 5.597 190 2HG2 THR 24 2HG2 THR 24 6.360 0.001 7.046 191 3HG2 THR 24 3HG2 THR 24 5.680 -1.616 7.025 192 H LYS 25 H LYS 25 5.073 -3.395 4.435 193 HA LYS 25 HA LYS 25 4.745 -5.290 6.705 194 1HB LYS 25 1HB LYS 25 2.726 -3.792 5.017 195 2HB LYS 25 2HB LYS 25 2.240 -5.056 6.124 196 1HG LYS 25 2HG LYS 25 3.689 -2.463 6.818 197 2HG LYS 25 1HG LYS 25 2.007 -2.814 7.135 198 1HD LYS 25 2HD LYS 25 4.397 -4.158 8.459 199 2HD LYS 25 1HD LYS 25 3.248 -3.077 9.201 200 1HE LYS 25 2HE LYS 25 2.600 -5.876 8.163 201 2HE LYS 25 1HE LYS 25 2.676 -5.368 9.836 202 1HZ LYS 25 1HZ LYS 25 0.515 -5.225 8.085 203 2HZ LYS 25 2HZ LYS 25 0.933 -3.643 8.523 204 3HZ LYS 25 3HZ LYS 25 0.584 -4.788 9.726 205 H HIS 26 H HIS 26 4.429 -5.130 3.190 206 HA HIS 26 HA HIS 26 3.685 -8.002 3.173 207 1HB HIS 26 1HB HIS 26 3.390 -5.824 1.084 208 2HB HIS 26 2HB HIS 26 2.904 -7.494 0.855 209 HD1 HIS 26 HD1 HIS 26 1.317 -8.245 3.084 210 HD2 HIS 26 HD2 HIS 26 1.200 -4.309 1.983 211 HE1 HIS 26 HE1 HIS 26 -0.763 -7.310 4.033 212 H SER 27 H SER 27 5.765 -5.752 1.557 213 HA SER 27 HA SER 27 7.509 -8.040 0.666 214 1HB SER 27 2HB SER 27 8.341 -6.526 -1.127 215 2HB SER 27 1HB SER 27 6.582 -6.634 -1.199 216 HG SER 27 HG SER 27 7.305 -4.755 0.581 217 H LYS 28 H LYS 28 9.780 -7.351 0.273 218 HA LYS 28 HA LYS 28 10.926 -5.718 2.494 219 1HB LYS 28 1HB LYS 28 11.161 -8.172 3.012 220 2HB LYS 28 2HB LYS 28 11.916 -8.418 1.451 221 1HG LYS 28 2HG LYS 28 13.727 -6.733 2.197 222 2HG LYS 28 1HG LYS 28 12.969 -6.726 3.771 223 1HD LYS 28 2HD LYS 28 14.859 -8.270 3.811 224 2HD LYS 28 1HD LYS 28 13.376 -9.177 3.992 225 1HE LYS 28 2HE LYS 28 14.952 -10.271 2.393 226 2HE LYS 28 1HE LYS 28 13.477 -9.824 1.564 227 1HZ LYS 28 1HZ LYS 28 14.652 -8.592 0.193 228 2HZ LYS 28 2HZ LYS 28 16.081 -9.080 0.967 229 3HZ LYS 28 3HZ LYS 28 15.285 -7.671 1.469 230 H GLU 29 H GLU 29 11.457 -4.012 1.251 231 HA GLU 29 HA GLU 29 12.102 -2.865 -0.753 232 1HB GLU 29 1HB GLU 29 14.584 -4.008 0.580 233 2HB GLU 29 2HB GLU 29 14.604 -2.642 -0.519 234 1HG GLU 29 2HG GLU 29 12.999 -1.427 1.011 235 2HG GLU 29 1HG GLU 29 13.082 -2.781 2.123 236 H LYS 30 H LYS 30 11.394 -3.835 -2.565 237 HA LYS 30 HA LYS 30 13.042 -5.929 -3.889 238 1HB LYS 30 1HB LYS 30 11.110 -6.200 -5.373 239 2HB LYS 30 2HB LYS 30 10.574 -6.244 -3.706 240 1HG LYS 30 2HG LYS 30 9.845 -3.868 -3.844 241 2HG LYS 30 1HG LYS 30 10.470 -3.736 -5.471 242 1HD LYS 30 2HD LYS 30 8.194 -4.100 -5.831 243 2HD LYS 30 1HD LYS 30 8.869 -5.697 -6.065 244 1HE LYS 30 2HE LYS 30 6.910 -5.984 -4.693 245 2HE LYS 30 1HE LYS 30 8.266 -6.157 -3.588 246 1HZ LYS 30 1HZ LYS 30 7.649 -3.454 -3.706 247 2HZ LYS 30 2HZ LYS 30 7.403 -4.520 -2.399 248 3HZ LYS 30 3HZ LYS 30 6.183 -4.292 -3.538
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