NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620876 | 5tx8 | 30204 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 13.672 6.213 5.775 2 H2 ALA 1 2H ALA 1 12.146 6.749 5.278 3 H3 ALA 1 3H ALA 1 12.791 5.323 4.636 4 HA ALA 1 HA ALA 1 12.740 4.303 6.830 5 HB1 ALA 1 1HB ALA 1 12.890 6.346 8.151 6 HB2 ALA 1 2HB ALA 1 11.471 5.407 8.619 7 HB3 ALA 1 3HB ALA 1 11.288 6.839 7.602 8 H GLU 2 H GLU 2 11.705 3.189 5.051 9 HA GLU 2 HA GLU 2 8.842 2.956 5.476 10 HB2 GLU 2 1HB GLU 2 8.348 2.995 3.048 11 HB3 GLU 2 2HB GLU 2 8.917 4.550 3.630 12 HG2 GLU 2 1HG GLU 2 10.736 2.561 2.288 13 HG3 GLU 2 2HG GLU 2 9.815 3.760 1.388 14 H ASP 3 H ASP 3 8.016 1.008 4.208 15 HA ASP 3 HA ASP 3 10.056 -0.973 3.559 16 HB2 ASP 3 1HB ASP 3 9.580 -1.213 6.014 17 HB3 ASP 3 2HB ASP 3 7.899 -1.547 5.616 18 H CYS 4 H CYS 4 9.458 -1.735 1.648 19 HA CYS 4 HA CYS 4 7.068 -1.050 0.403 20 HB2 CYS 4 2HB CYS 4 8.998 -3.264 -0.328 21 HB3 CYS 4 1HB CYS 4 7.773 -2.579 -1.396 22 H GLU 5 H GLU 5 8.003 -4.120 1.933 23 HA GLU 5 HA GLU 5 5.638 -5.492 1.125 24 HB2 GLU 5 1HB GLU 5 7.662 -6.110 3.283 25 HB3 GLU 5 2HB GLU 5 6.347 -7.189 2.825 26 HG2 GLU 5 1HG GLU 5 7.268 -7.177 0.493 27 HG3 GLU 5 2HG GLU 5 8.663 -6.297 1.118 28 H ARG 6 H ARG 6 6.555 -3.664 3.985 29 HA ARG 6 HA ARG 6 4.296 -4.320 5.565 30 HB2 ARG 6 1HB ARG 6 6.420 -3.284 6.409 31 HB3 ARG 6 2HB ARG 6 5.937 -1.775 5.649 32 HG2 ARG 6 1HG ARG 6 3.996 -1.631 7.103 33 HG3 ARG 6 2HG ARG 6 4.400 -3.189 7.829 34 HD2 ARG 6 1HD ARG 6 6.002 -0.634 7.974 35 HD3 ARG 6 2HD ARG 6 5.161 -1.444 9.298 36 HE ARG 6 HE ARG 6 6.994 -3.255 8.221 37 HH11 ARG 6 1HH1 ARG 6 7.008 -0.241 10.008 38 HH12 ARG 6 2HH1 ARG 6 8.577 -0.519 10.702 39 HH21 ARG 6 1HH2 ARG 6 9.056 -3.620 9.131 40 HH22 ARG 6 2HH2 ARG 6 9.732 -2.439 10.211 41 H ILE 7 H ILE 7 5.008 -1.665 3.337 42 HA ILE 7 HA ILE 7 2.527 -0.333 3.550 43 HB ILE 7 HB ILE 7 4.414 -0.439 1.175 44 HG12 ILE 7 1HG1 ILE 7 4.211 1.594 3.422 45 HG13 ILE 7 2HG1 ILE 7 5.478 0.385 3.261 46 HG21 ILE 7 1HG2 ILE 7 2.196 0.346 0.523 47 HG22 ILE 7 2HG2 ILE 7 3.356 1.672 0.483 48 HG23 ILE 7 3HG2 ILE 7 2.216 1.537 1.823 49 HD11 ILE 7 1HD1 ILE 7 6.203 1.430 1.173 50 HD12 ILE 7 2HD1 ILE 7 6.249 2.557 2.526 51 HD13 ILE 7 3HD1 ILE 7 4.941 2.649 1.348 52 H ARG 8 H ARG 8 3.653 -3.024 1.577 53 HA ARG 8 HA ARG 8 1.443 -3.347 -0.110 54 HB2 ARG 8 1HB ARG 8 3.601 -4.600 -0.288 55 HB3 ARG 8 2HB ARG 8 3.126 -5.549 1.111 56 HG2 ARG 8 1HG ARG 8 1.206 -6.426 -0.111 57 HG3 ARG 8 2HG ARG 8 1.651 -5.461 -1.519 58 HD2 ARG 8 1HD ARG 8 2.384 -7.781 -1.768 59 HD3 ARG 8 2HD ARG 8 3.759 -6.679 -1.701 60 HE ARG 8 HE ARG 8 2.925 -8.036 0.764 61 HH11 ARG 8 1HH1 ARG 8 5.250 -7.692 -1.829 62 HH12 ARG 8 2HH1 ARG 8 6.487 -8.586 -1.006 63 HH21 ARG 8 1HH2 ARG 8 4.554 -9.202 1.855 64 HH22 ARG 8 2HH2 ARG 8 6.105 -9.432 1.100 65 H LYS 9 H LYS 9 2.117 -4.672 3.091 66 HA LYS 9 HA LYS 9 -0.264 -6.096 3.462 67 HB2 LYS 9 1HB LYS 9 1.673 -6.340 4.948 68 HB3 LYS 9 2HB LYS 9 1.463 -4.695 5.525 69 HG2 LYS 9 1HG LYS 9 0.614 -6.199 7.177 70 HG3 LYS 9 2HG LYS 9 -0.746 -5.346 6.449 71 HD2 LYS 9 1HD LYS 9 -1.428 -7.602 6.645 72 HD3 LYS 9 2HD LYS 9 -1.042 -7.372 4.941 73 HE2 LYS 9 1HE LYS 9 0.943 -8.511 6.909 74 HE3 LYS 9 2HE LYS 9 -0.219 -9.522 6.054 75 HZ1 LYS 9 1HZ LYS 9 1.878 -9.506 4.907 76 HZ2 LYS 9 2HZ LYS 9 1.873 -7.823 4.806 77 HZ3 LYS 9 3HZ LYS 9 0.722 -8.723 3.954 78 H GLU 10 H GLU 10 0.558 -2.737 4.293 79 HA GLU 10 HA GLU 10 -1.964 -2.046 5.348 80 HB2 GLU 10 1HB GLU 10 0.294 -0.416 4.200 81 HB3 GLU 10 2HB GLU 10 -1.206 0.348 4.710 82 HG2 GLU 10 1HG GLU 10 0.636 -1.287 6.448 83 HG3 GLU 10 2HG GLU 10 0.470 0.468 6.460 84 H LEU 11 H LEU 11 -0.757 -2.182 2.064 85 HA LEU 11 HA LEU 11 -2.999 -0.743 0.959 86 HB2 LEU 11 1HB LEU 11 -0.713 -0.786 -0.087 87 HB3 LEU 11 2HB LEU 11 -0.985 -2.470 -0.497 88 HG LEU 11 HG LEU 11 -2.896 -1.808 -1.921 89 HD11 LEU 11 1HD1 LEU 11 -3.259 0.551 -2.462 90 HD12 LEU 11 2HD1 LEU 11 -2.093 1.010 -1.220 91 HD13 LEU 11 3HD1 LEU 11 -3.596 0.202 -0.767 92 HD21 LEU 11 1HD2 LEU 11 -1.610 -0.784 -3.718 93 HD22 LEU 11 2HD2 LEU 11 -0.678 -2.046 -2.913 94 HD23 LEU 11 3HD2 LEU 11 -0.340 -0.346 -2.573 95 H GLU 12 H GLU 12 -2.248 -4.003 1.785 96 HA GLU 12 HA GLU 12 -4.186 -5.337 0.215 97 HB2 GLU 12 1HB GLU 12 -2.225 -6.408 1.315 98 HB3 GLU 12 2HB GLU 12 -2.955 -6.095 2.881 99 HG2 GLU 12 1HG GLU 12 -3.396 -8.335 2.413 100 HG3 GLU 12 2HG GLU 12 -4.905 -7.483 2.102 101 H LYS 13 H LYS 13 -4.104 -4.359 3.627 102 HA LYS 13 HA LYS 13 -6.854 -4.922 4.111 103 HB2 LYS 13 1HB LYS 13 -6.440 -3.617 6.246 104 HB3 LYS 13 2HB LYS 13 -5.395 -5.006 5.987 105 HG2 LYS 13 1HG LYS 13 -3.649 -3.439 5.123 106 HG3 LYS 13 2HG LYS 13 -4.686 -2.100 5.597 107 HD2 LYS 13 1HD LYS 13 -3.816 -4.230 7.547 108 HD3 LYS 13 2HD LYS 13 -2.839 -2.798 7.228 109 HE2 LYS 13 1HE LYS 13 -5.709 -2.720 8.159 110 HE3 LYS 13 2HE LYS 13 -4.315 -2.613 9.232 111 HZ1 LYS 13 1HZ LYS 13 -3.602 -0.634 7.962 112 HZ2 LYS 13 2HZ LYS 13 -5.089 -0.423 8.745 113 HZ3 LYS 13 3HZ LYS 13 -5.046 -0.705 7.080 114 H ASN 14 H ASN 14 -5.047 -2.007 3.257 115 HA ASN 14 HA ASN 14 -7.613 -0.572 2.946 116 HB2 ASN 14 1HB ASN 14 -4.944 0.546 3.852 117 HB3 ASN 14 2HB ASN 14 -6.339 1.535 3.436 118 HD21 ASN 14 1HD2 ASN 14 -6.075 0.888 7.138 119 HD22 ASN 14 2HD2 ASN 14 -4.897 1.341 5.953 120 HA PRO 15 HA PRO 15 -5.833 -0.460 -1.276 121 HB2 PRO 15 2HB PRO 15 -8.229 -0.065 -2.515 122 HB3 PRO 15 1HB PRO 15 -7.659 -1.666 -2.031 123 HG2 PRO 15 2HG PRO 15 -9.593 0.154 -0.637 124 HG3 PRO 15 1HG PRO 15 -9.699 -1.598 -0.902 125 HD2 PRO 15 2HD PRO 15 -8.897 -0.524 1.459 126 HD3 PRO 15 1HD PRO 15 -8.280 -2.077 0.861 127 H ASN 16 H ASN 16 -4.997 1.572 -0.141 128 HA ASN 16 HA ASN 16 -6.581 3.984 -0.671 129 HB2 ASN 16 1HB ASN 16 -5.711 3.740 1.592 130 HB3 ASN 16 2HB ASN 16 -4.074 3.543 0.975 131 HD21 ASN 16 1HD2 ASN 16 -5.693 7.225 1.430 132 HD22 ASN 16 2HD2 ASN 16 -6.621 5.784 1.671 133 H ASP 17 H ASP 17 -5.851 5.665 -1.938 134 HA ASP 17 HA ASP 17 -4.296 5.045 -4.189 135 HB2 ASP 17 1HB ASP 17 -5.951 6.785 -4.340 136 HB3 ASP 17 2HB ASP 17 -5.180 7.708 -3.053 137 H GLU 18 H GLU 18 -3.506 7.367 -1.583 138 HA GLU 18 HA GLU 18 -0.933 7.954 -2.472 139 HB2 GLU 18 1HB GLU 18 -2.039 8.026 0.342 140 HB3 GLU 18 2HB GLU 18 -0.498 8.730 -0.135 141 HG2 GLU 18 1HG GLU 18 -1.673 10.219 -1.693 142 HG3 GLU 18 2HG GLU 18 -3.213 9.535 -1.170 143 H ILE 19 H ILE 19 -2.037 5.452 -0.235 144 HA ILE 19 HA ILE 19 0.479 4.457 0.518 145 HB ILE 19 HB ILE 19 -2.168 2.998 0.270 146 HG12 ILE 19 1HG1 ILE 19 -2.190 4.875 1.862 147 HG13 ILE 19 2HG1 ILE 19 -2.311 3.336 2.705 148 HG21 ILE 19 1HG2 ILE 19 -0.342 1.388 0.227 149 HG22 ILE 19 2HG2 ILE 19 -1.194 1.301 1.769 150 HG23 ILE 19 3HG2 ILE 19 0.366 2.121 1.669 151 HD11 ILE 19 1HD1 ILE 19 -0.835 4.891 3.859 152 HD12 ILE 19 2HD1 ILE 19 0.188 4.994 2.429 153 HD13 ILE 19 3HD1 ILE 19 0.046 3.470 3.304 154 H LYS 20 H LYS 20 -1.708 3.452 -2.107 155 HA LYS 20 HA LYS 20 -0.135 1.434 -3.216 156 HB2 LYS 20 1HB LYS 20 -2.410 1.719 -3.961 157 HB3 LYS 20 2HB LYS 20 -2.076 3.349 -4.537 158 HG2 LYS 20 1HG LYS 20 -0.593 2.444 -6.260 159 HG3 LYS 20 2HG LYS 20 -0.916 0.806 -5.685 160 HD2 LYS 20 1HD LYS 20 -3.257 1.021 -6.291 161 HD3 LYS 20 2HD LYS 20 -3.016 2.712 -6.742 162 HE2 LYS 20 1HE LYS 20 -3.090 1.242 -8.710 163 HE3 LYS 20 2HE LYS 20 -1.530 2.044 -8.550 164 HZ1 LYS 20 1HZ LYS 20 -1.350 -0.319 -9.129 165 HZ2 LYS 20 2HZ LYS 20 -2.089 -0.733 -7.668 166 HZ3 LYS 20 3HZ LYS 20 -0.589 0.039 -7.667 167 H LYS 21 H LYS 21 -0.254 4.904 -4.040 168 HA LYS 21 HA LYS 21 1.578 4.769 -6.169 169 HB2 LYS 21 1HB LYS 21 0.978 7.173 -4.426 170 HB3 LYS 21 2HB LYS 21 1.670 7.203 -6.041 171 HG2 LYS 21 1HG LYS 21 -1.129 6.403 -5.263 172 HG3 LYS 21 2HG LYS 21 -0.634 7.814 -6.198 173 HD2 LYS 21 1HD LYS 21 -0.272 4.942 -7.077 174 HD3 LYS 21 2HD LYS 21 -1.589 5.993 -7.592 175 HE2 LYS 21 1HE LYS 21 -0.039 7.492 -8.673 176 HE3 LYS 21 2HE LYS 21 1.338 6.583 -8.044 177 HZ1 LYS 21 1HZ LYS 21 0.665 4.691 -9.361 178 HZ2 LYS 21 2HZ LYS 21 0.855 6.045 -10.358 179 HZ3 LYS 21 3HZ LYS 21 -0.696 5.524 -9.936 180 H LYS 22 H LYS 22 2.013 5.408 -2.730 181 HA LYS 22 HA LYS 22 4.832 5.932 -3.026 182 HB2 LYS 22 1HB LYS 22 3.066 5.627 -0.590 183 HB3 LYS 22 2HB LYS 22 4.797 5.931 -0.491 184 HG2 LYS 22 1HG LYS 22 4.481 8.005 -1.797 185 HG3 LYS 22 2HG LYS 22 2.743 7.711 -1.798 186 HD2 LYS 22 1HD LYS 22 4.420 8.067 0.691 187 HD3 LYS 22 2HD LYS 22 3.497 9.354 -0.085 188 HE2 LYS 22 1HE LYS 22 1.437 7.966 0.240 189 HE3 LYS 22 2HE LYS 22 2.412 6.835 1.182 190 HZ1 LYS 22 1HZ LYS 22 1.219 8.447 2.568 191 HZ2 LYS 22 2HZ LYS 22 2.054 9.709 1.821 192 HZ3 LYS 22 3HZ LYS 22 2.897 8.581 2.754 193 H LEU 23 H LEU 23 2.868 3.139 -2.619 194 HA LEU 23 HA LEU 23 4.926 1.393 -1.678 195 HB2 LEU 23 1HB LEU 23 2.440 0.912 -1.666 196 HB3 LEU 23 2HB LEU 23 2.536 0.678 -3.399 197 HG LEU 23 HG LEU 23 4.119 -0.996 -1.431 198 HD11 LEU 23 1HD1 LEU 23 2.399 -2.715 -1.715 199 HD12 LEU 23 2HD1 LEU 23 1.423 -1.584 -2.652 200 HD13 LEU 23 3HD1 LEU 23 1.751 -1.266 -0.948 201 HD21 LEU 23 1HD2 LEU 23 3.375 -1.442 -4.329 202 HD22 LEU 23 2HD2 LEU 23 4.232 -2.592 -3.303 203 HD23 LEU 23 3HD2 LEU 23 4.980 -1.050 -3.715 204 H GLU 24 H GLU 24 3.604 2.132 -4.892 205 HA GLU 24 HA GLU 24 5.186 0.485 -6.453 206 HB2 GLU 24 1HB GLU 24 4.291 3.285 -7.189 207 HB3 GLU 24 2HB GLU 24 4.693 1.987 -8.306 208 HG2 GLU 24 1HG GLU 24 2.765 0.706 -7.537 209 HG3 GLU 24 2HG GLU 24 2.382 1.962 -6.364 210 H LYS 25 H LYS 25 5.929 3.627 -5.082 211 HA LYS 25 HA LYS 25 8.672 3.443 -6.157 212 HB2 LYS 25 1HB LYS 25 7.012 5.904 -5.554 213 HB3 LYS 25 2HB LYS 25 8.710 5.939 -6.020 214 HG2 LYS 25 1HG LYS 25 8.158 4.910 -8.163 215 HG3 LYS 25 2HG LYS 25 6.458 4.829 -7.697 216 HD2 LYS 25 1HD LYS 25 6.361 7.269 -7.583 217 HD3 LYS 25 2HD LYS 25 8.077 7.366 -7.987 218 HE2 LYS 25 1HE LYS 25 6.688 7.807 -9.946 219 HE3 LYS 25 2HE LYS 25 7.641 6.340 -10.157 220 HZ1 LYS 25 1HZ LYS 25 4.783 6.400 -9.346 221 HZ2 LYS 25 2HZ LYS 25 5.702 5.019 -9.673 222 HZ3 LYS 25 3HZ LYS 25 5.335 6.105 -10.916 223 H CYS 26 H CYS 26 7.533 2.351 -3.638 224 HA CYS 26 HA CYS 26 8.442 3.728 -1.377 225 HB2 CYS 26 2HB CYS 26 8.666 1.453 -0.356 226 HB3 CYS 26 1HB CYS 26 7.128 1.685 -1.186 227 H GLN 27 H GLN 27 10.082 1.487 -3.521 228 HA GLN 27 HA GLN 27 12.701 2.282 -2.477 229 HB2 GLN 27 1HB GLN 27 12.311 -0.130 -2.651 230 HB3 GLN 27 2HB GLN 27 11.866 0.037 -4.344 231 HG2 GLN 27 1HG GLN 27 14.134 0.697 -4.904 232 HG3 GLN 27 2HG GLN 27 14.594 0.629 -3.202 233 HE21 GLN 27 1HE2 GLN 27 15.434 -2.520 -5.120 234 HE22 GLN 27 2HE2 GLN 27 15.583 -0.854 -5.544 235 H ALA 28 H ALA 28 13.087 4.231 -3.393 236 HA ALA 28 HA ALA 28 13.350 4.340 -6.298 237 HB1 ALA 28 1HB ALA 28 12.171 6.471 -6.453 238 HB2 ALA 28 2HB ALA 28 11.788 6.400 -4.732 239 HB3 ALA 28 3HB ALA 28 11.099 5.210 -5.838 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 6.373 3.898 10.948 2 H2 ALA 1 2H ALA 1 7.948 3.920 10.340 3 H3 ALA 1 3H ALA 1 7.592 3.021 11.723 4 HA ALA 1 HA ALA 1 7.835 1.600 9.802 5 HB1 ALA 1 1HB ALA 1 4.992 1.749 10.808 6 HB2 ALA 1 2HB ALA 1 6.331 0.935 11.620 7 HB3 ALA 1 3HB ALA 1 5.760 0.348 10.056 8 H GLU 2 H GLU 2 8.177 2.327 7.786 9 HA GLU 2 HA GLU 2 5.840 2.873 6.104 10 HB2 GLU 2 1HB GLU 2 6.998 4.750 4.993 11 HB3 GLU 2 2HB GLU 2 6.671 5.087 6.684 12 HG2 GLU 2 1HG GLU 2 9.336 4.237 5.550 13 HG3 GLU 2 2HG GLU 2 8.877 5.882 5.987 14 H ASP 3 H ASP 3 7.661 0.665 6.599 15 HA ASP 3 HA ASP 3 9.603 0.324 4.595 16 HB2 ASP 3 1HB ASP 3 7.995 -1.978 5.699 17 HB3 ASP 3 2HB ASP 3 9.710 -1.919 5.308 18 H CYS 4 H CYS 4 9.479 -0.896 2.592 19 HA CYS 4 HA CYS 4 7.225 -0.455 0.998 20 HB2 CYS 4 2HB CYS 4 9.462 -2.473 0.729 21 HB3 CYS 4 1HB CYS 4 8.211 -2.274 -0.491 22 H GLU 5 H GLU 5 8.161 -3.223 2.964 23 HA GLU 5 HA GLU 5 5.978 -4.897 2.201 24 HB2 GLU 5 1HB GLU 5 7.534 -5.060 4.792 25 HB3 GLU 5 2HB GLU 5 6.699 -6.360 3.952 26 HG2 GLU 5 1HG GLU 5 9.230 -4.961 3.119 27 HG3 GLU 5 2HG GLU 5 9.040 -6.643 3.608 28 H ARG 6 H ARG 6 6.501 -2.511 4.715 29 HA ARG 6 HA ARG 6 4.194 -2.945 6.260 30 HB2 ARG 6 1HB ARG 6 6.214 -1.371 6.695 31 HB3 ARG 6 2HB ARG 6 5.347 -0.205 5.704 32 HG2 ARG 6 1HG ARG 6 4.830 0.319 7.937 33 HG3 ARG 6 2HG ARG 6 3.397 -0.489 7.295 34 HD2 ARG 6 1HD ARG 6 3.934 -1.309 9.532 35 HD3 ARG 6 2HD ARG 6 4.123 -2.591 8.333 36 HE ARG 6 HE ARG 6 6.576 -1.196 8.817 37 HH11 ARG 6 1HH1 ARG 6 4.507 -3.744 10.015 38 HH12 ARG 6 2HH1 ARG 6 5.765 -4.517 10.920 39 HH21 ARG 6 1HH2 ARG 6 8.237 -2.200 9.996 40 HH22 ARG 6 2HH2 ARG 6 7.892 -3.634 10.912 41 H ILE 7 H ILE 7 4.838 -0.962 3.425 42 HA ILE 7 HA ILE 7 2.301 0.194 3.101 43 HB ILE 7 HB ILE 7 4.368 -0.482 0.985 44 HG12 ILE 7 1HG1 ILE 7 3.944 2.080 2.553 45 HG13 ILE 7 2HG1 ILE 7 5.259 0.939 2.803 46 HG21 ILE 7 1HG2 ILE 7 2.179 -0.008 0.011 47 HG22 ILE 7 2HG2 ILE 7 3.338 1.268 -0.358 48 HG23 ILE 7 3HG2 ILE 7 2.112 1.521 0.888 49 HD11 ILE 7 1HD1 ILE 7 4.771 2.586 0.327 50 HD12 ILE 7 2HD1 ILE 7 6.063 1.401 0.529 51 HD13 ILE 7 3HD1 ILE 7 6.026 2.844 1.539 52 H ARG 8 H ARG 8 3.733 -2.732 1.624 53 HA ARG 8 HA ARG 8 1.663 -3.796 0.204 54 HB2 ARG 8 1HB ARG 8 3.453 -5.273 2.154 55 HB3 ARG 8 2HB ARG 8 2.463 -6.056 0.936 56 HG2 ARG 8 1HG ARG 8 4.586 -4.051 0.230 57 HG3 ARG 8 2HG ARG 8 4.939 -5.766 0.442 58 HD2 ARG 8 1HD ARG 8 3.313 -6.312 -1.312 59 HD3 ARG 8 2HD ARG 8 2.974 -4.592 -1.528 60 HE ARG 8 HE ARG 8 5.697 -4.861 -1.819 61 HH11 ARG 8 1HH1 ARG 8 2.871 -6.137 -3.471 62 HH12 ARG 8 2HH1 ARG 8 3.694 -6.281 -4.995 63 HH21 ARG 8 1HH2 ARG 8 6.752 -5.056 -3.798 64 HH22 ARG 8 2HH2 ARG 8 5.892 -5.689 -5.176 65 H LYS 9 H LYS 9 2.185 -4.293 3.702 66 HA LYS 9 HA LYS 9 -0.171 -5.821 4.033 67 HB2 LYS 9 1HB LYS 9 1.532 -4.426 6.104 68 HB3 LYS 9 2HB LYS 9 0.265 -5.590 6.472 69 HG2 LYS 9 1HG LYS 9 2.766 -6.145 4.880 70 HG3 LYS 9 2HG LYS 9 2.483 -6.604 6.558 71 HD2 LYS 9 1HD LYS 9 0.667 -7.528 4.333 72 HD3 LYS 9 2HD LYS 9 2.146 -8.394 4.743 73 HE2 LYS 9 1HE LYS 9 0.342 -9.461 5.889 74 HE3 LYS 9 2HE LYS 9 1.297 -8.596 7.087 75 HZ1 LYS 9 1HZ LYS 9 -1.283 -7.688 5.926 76 HZ2 LYS 9 2HZ LYS 9 -0.359 -6.821 7.047 77 HZ3 LYS 9 3HZ LYS 9 -1.042 -8.300 7.486 78 H GLU 10 H GLU 10 0.440 -2.353 4.448 79 HA GLU 10 HA GLU 10 -2.053 -1.858 5.712 80 HB2 GLU 10 1HB GLU 10 -0.004 -0.306 5.649 81 HB3 GLU 10 2HB GLU 10 -0.563 0.167 4.045 82 HG2 GLU 10 1HG GLU 10 -2.797 0.658 5.137 83 HG3 GLU 10 2HG GLU 10 -1.960 0.501 6.675 84 H LEU 11 H LEU 11 -0.947 -2.045 2.392 85 HA LEU 11 HA LEU 11 -3.283 -0.888 1.219 86 HB2 LEU 11 1HB LEU 11 -0.921 -1.200 0.177 87 HB3 LEU 11 2HB LEU 11 -1.446 -2.836 -0.178 88 HG LEU 11 HG LEU 11 -3.400 -1.821 -1.437 89 HD11 LEU 11 1HD1 LEU 11 -1.768 0.699 -1.178 90 HD12 LEU 11 2HD1 LEU 11 -3.299 0.394 -0.360 91 HD13 LEU 11 3HD1 LEU 11 -3.242 0.493 -2.121 92 HD21 LEU 11 1HD2 LEU 11 -2.083 -1.321 -3.429 93 HD22 LEU 11 2HD2 LEU 11 -1.448 -2.738 -2.591 94 HD23 LEU 11 3HD2 LEU 11 -0.628 -1.182 -2.444 95 H GLU 12 H GLU 12 -2.206 -4.073 2.083 96 HA GLU 12 HA GLU 12 -4.165 -5.719 1.025 97 HB2 GLU 12 1HB GLU 12 -2.203 -6.572 2.152 98 HB3 GLU 12 2HB GLU 12 -2.683 -5.818 3.662 99 HG2 GLU 12 1HG GLU 12 -4.721 -7.330 3.604 100 HG3 GLU 12 2HG GLU 12 -3.904 -8.202 2.307 101 H LYS 13 H LYS 13 -4.175 -3.868 4.046 102 HA LYS 13 HA LYS 13 -6.820 -4.769 4.789 103 HB2 LYS 13 1HB LYS 13 -4.888 -2.797 6.014 104 HB3 LYS 13 2HB LYS 13 -6.480 -3.105 6.686 105 HG2 LYS 13 1HG LYS 13 -4.456 -5.298 6.272 106 HG3 LYS 13 2HG LYS 13 -4.520 -4.323 7.738 107 HD2 LYS 13 1HD LYS 13 -5.855 -6.056 8.404 108 HD3 LYS 13 2HD LYS 13 -7.086 -5.032 7.667 109 HE2 LYS 13 1HE LYS 13 -7.506 -7.205 6.857 110 HE3 LYS 13 2HE LYS 13 -6.697 -6.372 5.531 111 HZ1 LYS 13 1HZ LYS 13 -5.834 -8.622 5.898 112 HZ2 LYS 13 2HZ LYS 13 -5.361 -8.195 7.461 113 HZ3 LYS 13 3HZ LYS 13 -4.634 -7.452 6.126 114 H ASN 14 H ASN 14 -5.387 -1.906 3.350 115 HA ASN 14 HA ASN 14 -7.990 -0.865 2.655 116 HB2 ASN 14 1HB ASN 14 -7.449 1.405 3.686 117 HB3 ASN 14 2HB ASN 14 -7.898 0.128 4.811 118 HD21 ASN 14 1HD2 ASN 14 -4.167 1.757 4.920 119 HD22 ASN 14 2HD2 ASN 14 -5.255 2.094 3.620 120 HA PRO 15 HA PRO 15 -5.125 0.163 -0.673 121 HB2 PRO 15 2HB PRO 15 -6.991 0.531 -2.593 122 HB3 PRO 15 1HB PRO 15 -6.476 -1.076 -2.063 123 HG2 PRO 15 2HG PRO 15 -8.916 0.482 -1.301 124 HG3 PRO 15 1HG PRO 15 -8.764 -1.245 -1.676 125 HD2 PRO 15 2HD PRO 15 -8.883 -0.255 0.878 126 HD3 PRO 15 1HD PRO 15 -8.054 -1.767 0.451 127 H ASN 16 H ASN 16 -4.765 2.112 0.728 128 HA ASN 16 HA ASN 16 -6.207 4.523 0.135 129 HB2 ASN 16 1HB ASN 16 -3.549 4.000 1.486 130 HB3 ASN 16 2HB ASN 16 -4.181 5.625 1.242 131 HD21 ASN 16 1HD2 ASN 16 -5.082 4.155 4.607 132 HD22 ASN 16 2HD2 ASN 16 -3.602 4.132 3.711 133 H ASP 17 H ASP 17 -5.569 6.230 -1.191 134 HA ASP 17 HA ASP 17 -4.548 5.515 -3.684 135 HB2 ASP 17 1HB ASP 17 -4.771 8.278 -2.467 136 HB3 ASP 17 2HB ASP 17 -4.497 7.951 -4.174 137 H GLU 18 H GLU 18 -2.975 7.506 -1.167 138 HA GLU 18 HA GLU 18 -0.544 7.852 -2.536 139 HB2 GLU 18 1HB GLU 18 -1.270 9.205 -0.571 140 HB3 GLU 18 2HB GLU 18 -0.982 7.809 0.462 141 HG2 GLU 18 1HG GLU 18 1.398 7.845 -0.213 142 HG3 GLU 18 2HG GLU 18 1.081 9.305 -1.149 143 H ILE 19 H ILE 19 -1.521 5.506 -0.076 144 HA ILE 19 HA ILE 19 0.890 4.140 0.217 145 HB ILE 19 HB ILE 19 -1.946 3.112 0.484 146 HG12 ILE 19 1HG1 ILE 19 -1.433 4.997 1.960 147 HG13 ILE 19 2HG1 ILE 19 -1.603 3.515 2.890 148 HG21 ILE 19 1HG2 ILE 19 0.610 1.866 1.506 149 HG22 ILE 19 2HG2 ILE 19 -0.423 1.224 0.228 150 HG23 ILE 19 3HG2 ILE 19 -1.025 1.318 1.881 151 HD11 ILE 19 1HD1 ILE 19 1.002 4.809 2.107 152 HD12 ILE 19 2HD1 ILE 19 0.823 3.334 3.058 153 HD13 ILE 19 3HD1 ILE 19 0.241 4.870 3.698 154 H LYS 20 H LYS 20 -1.794 3.539 -2.023 155 HA LYS 20 HA LYS 20 -0.730 1.229 -3.255 156 HB2 LYS 20 1HB LYS 20 -3.125 2.390 -3.339 157 HB3 LYS 20 2HB LYS 20 -2.467 3.162 -4.770 158 HG2 LYS 20 1HG LYS 20 -2.596 0.177 -4.362 159 HG3 LYS 20 2HG LYS 20 -3.824 1.120 -5.204 160 HD2 LYS 20 1HD LYS 20 -2.141 1.813 -6.863 161 HD3 LYS 20 2HD LYS 20 -0.921 0.857 -6.015 162 HE2 LYS 20 1HE LYS 20 -2.199 -1.179 -6.450 163 HE3 LYS 20 2HE LYS 20 -3.452 -0.235 -7.254 164 HZ1 LYS 20 1HZ LYS 20 -0.641 -0.558 -8.155 165 HZ2 LYS 20 2HZ LYS 20 -1.787 0.432 -8.905 166 HZ3 LYS 20 3HZ LYS 20 -2.014 -1.244 -8.870 167 H LYS 21 H LYS 21 -0.648 4.654 -4.092 168 HA LYS 21 HA LYS 21 0.696 4.419 -6.549 169 HB2 LYS 21 1HB LYS 21 -0.671 6.362 -5.679 170 HB3 LYS 21 2HB LYS 21 0.711 6.803 -4.688 171 HG2 LYS 21 1HG LYS 21 2.042 7.261 -6.632 172 HG3 LYS 21 2HG LYS 21 0.790 6.609 -7.698 173 HD2 LYS 21 1HD LYS 21 -0.756 8.382 -6.881 174 HD3 LYS 21 2HD LYS 21 0.574 9.067 -5.946 175 HE2 LYS 21 1HE LYS 21 1.807 9.542 -7.966 176 HE3 LYS 21 2HE LYS 21 0.594 8.715 -8.946 177 HZ1 LYS 21 1HZ LYS 21 0.112 11.153 -7.322 178 HZ2 LYS 21 2HZ LYS 21 -1.021 10.380 -8.311 179 HZ3 LYS 21 3HZ LYS 21 0.331 11.124 -8.997 180 H LYS 22 H LYS 22 1.850 4.709 -3.242 181 HA LYS 22 HA LYS 22 4.601 5.115 -4.027 182 HB2 LYS 22 1HB LYS 22 3.334 4.530 -1.341 183 HB3 LYS 22 2HB LYS 22 5.059 4.772 -1.566 184 HG2 LYS 22 1HG LYS 22 2.915 6.805 -2.198 185 HG3 LYS 22 2HG LYS 22 3.918 6.795 -0.746 186 HD2 LYS 22 1HD LYS 22 4.968 7.032 -3.575 187 HD3 LYS 22 2HD LYS 22 4.715 8.388 -2.475 188 HE2 LYS 22 1HE LYS 22 6.548 6.053 -1.911 189 HE3 LYS 22 2HE LYS 22 7.080 7.592 -2.585 190 HZ1 LYS 22 1HZ LYS 22 7.371 7.361 -0.136 191 HZ2 LYS 22 2HZ LYS 22 5.687 7.357 0.028 192 HZ3 LYS 22 3HZ LYS 22 6.475 8.713 -0.603 193 H LEU 23 H LEU 23 2.558 2.401 -3.087 194 HA LEU 23 HA LEU 23 4.659 0.533 -2.703 195 HB2 LEU 23 1HB LEU 23 2.272 0.265 -1.927 196 HB3 LEU 23 2HB LEU 23 1.835 -0.098 -3.585 197 HG LEU 23 HG LEU 23 3.264 -2.090 -3.552 198 HD11 LEU 23 1HD1 LEU 23 5.002 -1.294 -2.046 199 HD12 LEU 23 2HD1 LEU 23 4.346 -2.831 -1.494 200 HD13 LEU 23 3HD1 LEU 23 3.866 -1.335 -0.697 201 HD21 LEU 23 1HD2 LEU 23 1.995 -3.438 -1.953 202 HD22 LEU 23 2HD2 LEU 23 0.943 -2.330 -2.838 203 HD23 LEU 23 3HD2 LEU 23 1.408 -1.966 -1.175 204 H GLU 24 H GLU 24 3.008 1.744 -5.515 205 HA GLU 24 HA GLU 24 3.672 -0.116 -7.455 206 HB2 GLU 24 1HB GLU 24 3.697 2.904 -7.677 207 HB3 GLU 24 2HB GLU 24 3.711 1.800 -9.047 208 HG2 GLU 24 1HG GLU 24 1.515 1.954 -6.986 209 HG3 GLU 24 2HG GLU 24 1.485 2.759 -8.552 210 H LYS 25 H LYS 25 5.683 2.223 -5.830 211 HA LYS 25 HA LYS 25 7.966 1.961 -7.534 212 HB2 LYS 25 1HB LYS 25 7.518 3.934 -6.076 213 HB3 LYS 25 2HB LYS 25 7.791 2.922 -4.665 214 HG2 LYS 25 1HG LYS 25 10.107 2.547 -5.394 215 HG3 LYS 25 2HG LYS 25 9.826 3.587 -6.791 216 HD2 LYS 25 1HD LYS 25 9.249 5.437 -5.190 217 HD3 LYS 25 2HD LYS 25 9.760 4.380 -3.874 218 HE2 LYS 25 1HE LYS 25 11.563 5.879 -4.452 219 HE3 LYS 25 2HE LYS 25 12.005 4.234 -4.912 220 HZ1 LYS 25 1HZ LYS 25 12.593 5.754 -6.658 221 HZ2 LYS 25 2HZ LYS 25 11.019 6.371 -6.728 222 HZ3 LYS 25 3HZ LYS 25 11.323 4.774 -7.197 223 H CYS 26 H CYS 26 6.767 0.340 -4.678 224 HA CYS 26 HA CYS 26 9.257 -1.141 -4.308 225 HB2 CYS 26 2HB CYS 26 6.711 -1.070 -2.674 226 HB3 CYS 26 1HB CYS 26 8.146 -2.001 -2.248 227 H GLN 27 H GLN 27 6.809 -1.503 -6.371 228 HA GLN 27 HA GLN 27 6.073 -4.231 -6.038 229 HB2 GLN 27 1HB GLN 27 6.076 -2.484 -8.514 230 HB3 GLN 27 2HB GLN 27 5.401 -4.105 -8.456 231 HG2 GLN 27 1HG GLN 27 4.466 -1.766 -6.805 232 HG3 GLN 27 2HG GLN 27 3.698 -2.341 -8.282 233 HE21 GLN 27 1HE2 GLN 27 2.014 -3.681 -5.201 234 HE22 GLN 27 2HE2 GLN 27 2.540 -2.099 -5.663 235 H ALA 28 H ALA 28 7.993 -5.327 -5.614 236 HA ALA 28 HA ALA 28 9.946 -5.533 -7.797 237 HB1 ALA 28 1HB ALA 28 10.114 -6.514 -4.941 238 HB2 ALA 28 2HB ALA 28 10.869 -5.056 -5.583 239 HB3 ALA 28 3HB ALA 28 11.390 -6.642 -6.151 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 7.920 4.202 7.393 2 H2 ALA 1 2H ALA 1 6.592 4.874 8.185 3 H3 ALA 1 3H ALA 1 7.151 5.556 6.740 4 HA ALA 1 HA ALA 1 6.022 2.833 7.000 5 HB1 ALA 1 1HB ALA 1 4.755 5.351 5.906 6 HB2 ALA 1 2HB ALA 1 4.327 4.551 7.420 7 HB3 ALA 1 3HB ALA 1 4.036 3.738 5.881 8 H GLU 2 H GLU 2 8.530 3.569 5.763 9 HA GLU 2 HA GLU 2 7.963 3.704 2.896 10 HB2 GLU 2 1HB GLU 2 10.592 3.788 4.398 11 HB3 GLU 2 2HB GLU 2 10.415 3.973 2.660 12 HG2 GLU 2 1HG GLU 2 10.707 6.126 3.631 13 HG3 GLU 2 2HG GLU 2 9.049 6.002 3.054 14 H ASP 3 H ASP 3 8.414 1.387 5.244 15 HA ASP 3 HA ASP 3 9.950 -0.573 3.896 16 HB2 ASP 3 1HB ASP 3 7.744 -1.134 5.897 17 HB3 ASP 3 2HB ASP 3 9.173 -2.110 5.570 18 H CYS 4 H CYS 4 9.400 -1.502 2.005 19 HA CYS 4 HA CYS 4 6.999 -1.169 0.686 20 HB2 CYS 4 2HB CYS 4 9.042 -3.374 0.343 21 HB3 CYS 4 1HB CYS 4 7.747 -3.036 -0.799 22 H GLU 5 H GLU 5 7.949 -3.796 2.847 23 HA GLU 5 HA GLU 5 5.714 -5.465 2.410 24 HB2 GLU 5 1HB GLU 5 7.473 -5.144 4.858 25 HB3 GLU 5 2HB GLU 5 6.238 -6.385 4.704 26 HG2 GLU 5 1HG GLU 5 8.331 -7.383 4.192 27 HG3 GLU 5 2HG GLU 5 7.435 -7.233 2.683 28 H ARG 6 H ARG 6 6.309 -2.928 4.830 29 HA ARG 6 HA ARG 6 3.844 -3.043 6.148 30 HB2 ARG 6 1HB ARG 6 5.897 -0.889 5.763 31 HB3 ARG 6 2HB ARG 6 4.341 -0.456 6.455 32 HG2 ARG 6 1HG ARG 6 6.283 -2.481 7.560 33 HG3 ARG 6 2HG ARG 6 5.966 -0.867 8.200 34 HD2 ARG 6 1HD ARG 6 4.110 -3.242 8.139 35 HD3 ARG 6 2HD ARG 6 4.736 -2.387 9.548 36 HE ARG 6 HE ARG 6 3.329 -0.496 8.143 37 HH11 ARG 6 1HH1 ARG 6 2.584 -3.600 9.592 38 HH12 ARG 6 2HH1 ARG 6 0.910 -3.219 9.854 39 HH21 ARG 6 1HH2 ARG 6 1.117 -0.004 8.468 40 HH22 ARG 6 2HH2 ARG 6 0.083 -1.180 9.221 41 H ILE 7 H ILE 7 4.864 -1.021 3.421 42 HA ILE 7 HA ILE 7 2.488 0.395 3.082 43 HB ILE 7 HB ILE 7 4.327 -0.407 0.817 44 HG12 ILE 7 1HG1 ILE 7 4.654 1.955 2.691 45 HG13 ILE 7 2HG1 ILE 7 5.619 0.487 2.770 46 HG21 ILE 7 1HG2 ILE 7 2.632 2.059 1.253 47 HG22 ILE 7 2HG2 ILE 7 2.253 0.727 0.163 48 HG23 ILE 7 3HG2 ILE 7 3.661 1.744 -0.144 49 HD11 ILE 7 1HD1 ILE 7 6.494 0.926 0.544 50 HD12 ILE 7 2HD1 ILE 7 6.804 2.274 1.639 51 HD13 ILE 7 3HD1 ILE 7 5.513 2.388 0.443 52 H ARG 8 H ARG 8 3.537 -2.697 1.683 53 HA ARG 8 HA ARG 8 1.336 -3.163 0.015 54 HB2 ARG 8 1HB ARG 8 3.313 -4.983 1.355 55 HB3 ARG 8 2HB ARG 8 1.950 -5.660 0.473 56 HG2 ARG 8 1HG ARG 8 2.674 -4.448 -1.545 57 HG3 ARG 8 2HG ARG 8 4.069 -3.834 -0.658 58 HD2 ARG 8 1HD ARG 8 3.528 -6.781 -0.922 59 HD3 ARG 8 2HD ARG 8 4.400 -5.885 -2.164 60 HE ARG 8 HE ARG 8 5.603 -5.348 0.306 61 HH11 ARG 8 1HH1 ARG 8 5.107 -8.079 -1.826 62 HH12 ARG 8 2HH1 ARG 8 6.627 -8.818 -1.452 63 HH21 ARG 8 1HH2 ARG 8 7.641 -6.329 0.800 64 HH22 ARG 8 2HH2 ARG 8 8.068 -7.824 0.032 65 H LYS 9 H LYS 9 1.893 -4.360 3.326 66 HA LYS 9 HA LYS 9 -0.698 -5.579 3.379 67 HB2 LYS 9 1HB LYS 9 1.343 -5.205 5.579 68 HB3 LYS 9 2HB LYS 9 -0.113 -6.191 5.708 69 HG2 LYS 9 1HG LYS 9 0.693 -7.557 3.800 70 HG3 LYS 9 2HG LYS 9 2.191 -6.626 3.808 71 HD2 LYS 9 1HD LYS 9 2.697 -7.414 6.058 72 HD3 LYS 9 2HD LYS 9 1.154 -8.273 6.127 73 HE2 LYS 9 1HE LYS 9 1.880 -9.635 4.180 74 HE3 LYS 9 2HE LYS 9 3.449 -8.836 4.244 75 HZ1 LYS 9 1HZ LYS 9 3.520 -10.961 5.352 76 HZ2 LYS 9 2HZ LYS 9 2.260 -10.514 6.385 77 HZ3 LYS 9 3HZ LYS 9 3.749 -9.723 6.480 78 H GLU 10 H GLU 10 0.454 -2.455 4.137 79 HA GLU 10 HA GLU 10 -1.724 -1.749 5.861 80 HB2 GLU 10 1HB GLU 10 0.506 -0.670 5.982 81 HB3 GLU 10 2HB GLU 10 0.260 -0.008 4.370 82 HG2 GLU 10 1HG GLU 10 -1.486 1.383 5.110 83 HG3 GLU 10 2HG GLU 10 -1.590 0.547 6.656 84 H LEU 11 H LEU 11 -0.895 -1.500 2.443 85 HA LEU 11 HA LEU 11 -3.191 0.034 1.676 86 HB2 LEU 11 1HB LEU 11 -1.097 -0.143 0.317 87 HB3 LEU 11 2HB LEU 11 -1.481 -1.821 -0.007 88 HG LEU 11 HG LEU 11 -3.554 -1.071 -1.182 89 HD11 LEU 11 1HD1 LEU 11 -3.842 1.077 -0.027 90 HD12 LEU 11 2HD1 LEU 11 -3.849 1.253 -1.782 91 HD13 LEU 11 3HD1 LEU 11 -2.415 1.698 -0.856 92 HD21 LEU 11 1HD2 LEU 11 -2.431 -0.238 -3.182 93 HD22 LEU 11 2HD2 LEU 11 -1.563 -1.587 -2.448 94 HD23 LEU 11 3HD2 LEU 11 -0.975 0.061 -2.228 95 H GLU 12 H GLU 12 -2.398 -3.312 2.071 96 HA GLU 12 HA GLU 12 -4.445 -4.660 0.838 97 HB2 GLU 12 1HB GLU 12 -2.511 -5.706 1.923 98 HB3 GLU 12 2HB GLU 12 -3.130 -5.244 3.500 99 HG2 GLU 12 1HG GLU 12 -5.042 -6.719 3.205 100 HG3 GLU 12 2HG GLU 12 -4.463 -7.159 1.593 101 H LYS 13 H LYS 13 -4.444 -3.598 4.267 102 HA LYS 13 HA LYS 13 -7.285 -4.113 4.481 103 HB2 LYS 13 1HB LYS 13 -5.146 -3.298 6.402 104 HB3 LYS 13 2HB LYS 13 -6.811 -2.924 6.815 105 HG2 LYS 13 1HG LYS 13 -6.393 -4.976 7.844 106 HG3 LYS 13 2HG LYS 13 -7.319 -5.382 6.401 107 HD2 LYS 13 1HD LYS 13 -5.531 -6.961 6.616 108 HD3 LYS 13 2HD LYS 13 -5.160 -5.907 5.250 109 HE2 LYS 13 1HE LYS 13 -3.629 -4.619 6.620 110 HE3 LYS 13 2HE LYS 13 -4.061 -5.567 8.042 111 HZ1 LYS 13 1HZ LYS 13 -3.087 -7.500 7.072 112 HZ2 LYS 13 2HZ LYS 13 -1.956 -6.248 6.994 113 HZ3 LYS 13 3HZ LYS 13 -2.809 -6.704 5.608 114 H ASN 14 H ASN 14 -5.188 -1.263 4.321 115 HA ASN 14 HA ASN 14 -7.597 0.446 4.400 116 HB2 ASN 14 1HB ASN 14 -6.079 0.832 6.296 117 HB3 ASN 14 2HB ASN 14 -4.752 1.145 5.183 118 HD21 ASN 14 1HD2 ASN 14 -5.722 4.424 4.438 119 HD22 ASN 14 2HD2 ASN 14 -4.762 3.063 3.968 120 HA PRO 15 HA PRO 15 -6.210 0.980 0.058 121 HB2 PRO 15 2HB PRO 15 -8.976 2.023 -0.184 122 HB3 PRO 15 1HB PRO 15 -8.163 0.768 -1.125 123 HG2 PRO 15 2HG PRO 15 -10.076 0.156 0.650 124 HG3 PRO 15 1HG PRO 15 -8.665 -0.896 0.414 125 HD2 PRO 15 2HD PRO 15 -9.198 1.098 2.596 126 HD3 PRO 15 1HD PRO 15 -8.515 -0.538 2.708 127 H ASN 16 H ASN 16 -5.168 2.756 -0.552 128 HA ASN 16 HA ASN 16 -6.290 5.392 -0.335 129 HB2 ASN 16 1HB ASN 16 -5.347 5.072 1.955 130 HB3 ASN 16 2HB ASN 16 -3.771 4.748 1.243 131 HD21 ASN 16 1HD2 ASN 16 -4.223 8.341 2.371 132 HD22 ASN 16 2HD2 ASN 16 -4.656 6.843 3.117 133 H ASP 17 H ASP 17 -5.496 6.644 -1.960 134 HA ASP 17 HA ASP 17 -4.078 5.386 -4.033 135 HB2 ASP 17 1HB ASP 17 -5.680 7.300 -4.316 136 HB3 ASP 17 2HB ASP 17 -4.437 8.374 -3.680 137 H GLU 18 H GLU 18 -3.038 7.708 -1.577 138 HA GLU 18 HA GLU 18 -0.441 8.219 -2.404 139 HB2 GLU 18 1HB GLU 18 -1.311 9.425 -0.537 140 HB3 GLU 18 2HB GLU 18 -1.650 7.951 0.354 141 HG2 GLU 18 1HG GLU 18 0.231 9.024 1.350 142 HG3 GLU 18 2HG GLU 18 0.795 7.560 0.551 143 H ILE 19 H ILE 19 -1.606 5.593 -0.332 144 HA ILE 19 HA ILE 19 0.906 4.383 0.100 145 HB ILE 19 HB ILE 19 -1.827 3.076 0.224 146 HG12 ILE 19 1HG1 ILE 19 -1.795 5.103 1.598 147 HG13 ILE 19 2HG1 ILE 19 -1.796 3.677 2.630 148 HG21 ILE 19 1HG2 ILE 19 0.002 1.467 0.270 149 HG22 ILE 19 2HG2 ILE 19 -0.782 1.559 1.845 150 HG23 ILE 19 3HG2 ILE 19 0.770 2.353 1.587 151 HD11 ILE 19 1HD1 ILE 19 -0.291 5.370 3.481 152 HD12 ILE 19 2HD1 ILE 19 0.596 5.378 1.957 153 HD13 ILE 19 3HD1 ILE 19 0.611 3.942 2.980 154 H LYS 20 H LYS 20 -1.691 3.759 -2.231 155 HA LYS 20 HA LYS 20 -0.646 1.456 -3.437 156 HB2 LYS 20 1HB LYS 20 -2.952 2.713 -3.738 157 HB3 LYS 20 2HB LYS 20 -2.127 3.525 -5.059 158 HG2 LYS 20 1HG LYS 20 -2.474 0.535 -4.795 159 HG3 LYS 20 2HG LYS 20 -3.461 1.591 -5.803 160 HD2 LYS 20 1HD LYS 20 -1.525 2.158 -7.157 161 HD3 LYS 20 2HD LYS 20 -0.477 1.204 -6.104 162 HE2 LYS 20 1HE LYS 20 -1.008 -0.032 -8.135 163 HE3 LYS 20 2HE LYS 20 -1.699 -0.827 -6.722 164 HZ1 LYS 20 1HZ LYS 20 -3.260 -0.760 -8.566 165 HZ2 LYS 20 2HZ LYS 20 -3.176 0.927 -8.612 166 HZ3 LYS 20 3HZ LYS 20 -3.840 0.151 -7.264 167 H LYS 21 H LYS 21 -0.275 4.899 -4.297 168 HA LYS 21 HA LYS 21 1.449 4.511 -6.507 169 HB2 LYS 21 1HB LYS 21 1.126 6.931 -4.710 170 HB3 LYS 21 2HB LYS 21 1.953 6.928 -6.262 171 HG2 LYS 21 1HG LYS 21 -0.973 6.325 -5.827 172 HG3 LYS 21 2HG LYS 21 -0.308 7.846 -6.426 173 HD2 LYS 21 1HD LYS 21 0.569 6.722 -8.395 174 HD3 LYS 21 2HD LYS 21 0.014 5.162 -7.783 175 HE2 LYS 21 1HE LYS 21 -1.496 6.090 -9.497 176 HE3 LYS 21 2HE LYS 21 -2.294 5.876 -7.940 177 HZ1 LYS 21 1HZ LYS 21 -2.152 8.196 -7.515 178 HZ2 LYS 21 2HZ LYS 21 -2.786 8.014 -9.072 179 HZ3 LYS 21 3HZ LYS 21 -1.168 8.458 -8.866 180 H LYS 22 H LYS 22 1.992 4.936 -3.071 181 HA LYS 22 HA LYS 22 4.780 5.300 -3.129 182 HB2 LYS 22 1HB LYS 22 3.189 5.634 -1.164 183 HB3 LYS 22 2HB LYS 22 3.224 3.892 -0.944 184 HG2 LYS 22 1HG LYS 22 5.631 3.982 -0.530 185 HG3 LYS 22 2HG LYS 22 5.619 5.725 -0.798 186 HD2 LYS 22 1HD LYS 22 4.087 4.284 1.379 187 HD3 LYS 22 2HD LYS 22 5.620 5.126 1.605 188 HE2 LYS 22 1HE LYS 22 3.088 6.448 0.612 189 HE3 LYS 22 2HE LYS 22 3.605 6.441 2.297 190 HZ1 LYS 22 1HZ LYS 22 5.605 7.619 1.666 191 HZ2 LYS 22 2HZ LYS 22 4.241 8.482 1.160 192 HZ3 LYS 22 3HZ LYS 22 5.147 7.598 0.037 193 H LEU 23 H LEU 23 2.734 2.422 -3.117 194 HA LEU 23 HA LEU 23 4.823 0.498 -3.042 195 HB2 LEU 23 1HB LEU 23 1.957 0.449 -3.913 196 HB3 LEU 23 2HB LEU 23 2.981 -0.932 -4.240 197 HG LEU 23 HG LEU 23 2.312 0.194 -1.518 198 HD11 LEU 23 1HD1 LEU 23 1.628 -2.499 -2.685 199 HD12 LEU 23 2HD1 LEU 23 0.539 -1.113 -2.732 200 HD13 LEU 23 3HD1 LEU 23 1.039 -1.783 -1.185 201 HD21 LEU 23 1HD2 LEU 23 4.612 -0.631 -1.566 202 HD22 LEU 23 2HD2 LEU 23 4.064 -2.154 -2.264 203 HD23 LEU 23 3HD2 LEU 23 3.580 -1.710 -0.627 204 H GLU 24 H GLU 24 3.484 2.423 -5.604 205 HA GLU 24 HA GLU 24 3.899 0.785 -7.803 206 HB2 GLU 24 1HB GLU 24 2.631 2.962 -7.733 207 HB3 GLU 24 2HB GLU 24 4.176 3.798 -7.799 208 HG2 GLU 24 1HG GLU 24 3.144 3.708 -9.990 209 HG3 GLU 24 2HG GLU 24 4.639 2.772 -9.972 210 H LYS 25 H LYS 25 6.208 2.611 -5.953 211 HA LYS 25 HA LYS 25 8.345 1.563 -7.682 212 HB2 LYS 25 1HB LYS 25 7.911 3.985 -8.200 213 HB3 LYS 25 2HB LYS 25 8.333 4.372 -6.537 214 HG2 LYS 25 1HG LYS 25 10.597 3.643 -6.871 215 HG3 LYS 25 2HG LYS 25 10.207 3.004 -8.469 216 HD2 LYS 25 1HD LYS 25 9.989 5.925 -7.712 217 HD3 LYS 25 2HD LYS 25 11.397 5.206 -8.499 218 HE2 LYS 25 1HE LYS 25 8.587 5.222 -9.618 219 HE3 LYS 25 2HE LYS 25 9.884 6.313 -10.106 220 HZ1 LYS 25 1HZ LYS 25 9.695 4.500 -11.660 221 HZ2 LYS 25 2HZ LYS 25 9.868 3.358 -10.427 222 HZ3 LYS 25 3HZ LYS 25 11.164 4.368 -10.832 223 H CYS 26 H CYS 26 7.214 0.648 -5.164 224 HA CYS 26 HA CYS 26 9.579 0.933 -3.420 225 HB2 CYS 26 2HB CYS 26 7.264 1.555 -2.495 226 HB3 CYS 26 1HB CYS 26 6.902 -0.165 -2.545 227 H GLN 27 H GLN 27 10.918 -0.621 -4.112 228 HA GLN 27 HA GLN 27 10.205 -3.354 -3.562 229 HB2 GLN 27 1HB GLN 27 9.405 -3.199 -5.864 230 HB3 GLN 27 2HB GLN 27 10.946 -2.526 -6.382 231 HG2 GLN 27 1HG GLN 27 12.072 -4.602 -5.924 232 HG3 GLN 27 2HG GLN 27 10.608 -5.283 -5.214 233 HE21 GLN 27 1HE2 GLN 27 11.127 -5.190 -9.244 234 HE22 GLN 27 2HE2 GLN 27 12.189 -4.337 -8.180 235 H ALA 28 H ALA 28 12.619 -1.333 -5.220 236 HA ALA 28 HA ALA 28 14.817 -2.862 -4.156 237 HB1 ALA 28 1HB ALA 28 14.999 -1.793 -6.343 238 HB2 ALA 28 2HB ALA 28 16.229 -1.175 -5.241 239 HB3 ALA 28 3HB ALA 28 14.798 -0.206 -5.598 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 16.803 -2.246 3.045 2 H2 ALA 1 2H ALA 1 17.620 -1.798 4.456 3 H3 ALA 1 3H ALA 1 17.129 -0.615 3.353 4 HA ALA 1 HA ALA 1 15.366 -2.340 4.982 5 HB1 ALA 1 1HB ALA 1 14.731 -0.277 6.120 6 HB2 ALA 1 2HB ALA 1 15.857 0.639 5.116 7 HB3 ALA 1 3HB ALA 1 16.468 -0.556 6.259 8 H GLU 2 H GLU 2 13.909 -2.997 3.488 9 HA GLU 2 HA GLU 2 12.729 -0.975 1.703 10 HB2 GLU 2 1HB GLU 2 12.626 -4.002 1.551 11 HB3 GLU 2 2HB GLU 2 11.849 -2.906 0.417 12 HG2 GLU 2 1HG GLU 2 13.848 -3.671 -0.594 13 HG3 GLU 2 2HG GLU 2 14.111 -1.993 -0.135 14 H ASP 3 H ASP 3 10.919 -0.113 2.424 15 HA ASP 3 HA ASP 3 9.304 -1.525 4.413 16 HB2 ASP 3 1HB ASP 3 9.042 1.307 3.362 17 HB3 ASP 3 2HB ASP 3 8.129 0.617 4.697 18 H CYS 4 H CYS 4 9.428 -1.936 1.338 19 HA CYS 4 HA CYS 4 6.942 -1.258 0.241 20 HB2 CYS 4 2HB CYS 4 8.630 -3.661 -0.486 21 HB3 CYS 4 1HB CYS 4 7.474 -2.823 -1.518 22 H GLU 5 H GLU 5 7.991 -4.066 2.107 23 HA GLU 5 HA GLU 5 5.621 -5.582 1.884 24 HB2 GLU 5 1HB GLU 5 7.662 -5.475 4.125 25 HB3 GLU 5 2HB GLU 5 6.414 -6.706 3.964 26 HG2 GLU 5 1HG GLU 5 7.388 -7.501 1.910 27 HG3 GLU 5 2HG GLU 5 8.566 -6.188 1.920 28 H ARG 6 H ARG 6 6.696 -3.158 4.215 29 HA ARG 6 HA ARG 6 4.582 -3.176 6.018 30 HB2 ARG 6 1HB ARG 6 5.921 -0.633 5.063 31 HB3 ARG 6 2HB ARG 6 5.262 -0.966 6.655 32 HG2 ARG 6 1HG ARG 6 7.679 -2.328 5.490 33 HG3 ARG 6 2HG ARG 6 7.737 -0.922 6.549 34 HD2 ARG 6 1HD ARG 6 6.649 -2.230 8.323 35 HD3 ARG 6 2HD ARG 6 6.614 -3.636 7.255 36 HE ARG 6 HE ARG 6 9.014 -3.686 7.315 37 HH11 ARG 6 1HH1 ARG 6 7.490 -1.633 9.712 38 HH12 ARG 6 2HH1 ARG 6 8.929 -1.474 10.669 39 HH21 ARG 6 1HH2 ARG 6 10.896 -3.495 8.577 40 HH22 ARG 6 2HH2 ARG 6 10.861 -2.563 10.038 41 H ILE 7 H ILE 7 5.030 -1.018 3.233 42 HA ILE 7 HA ILE 7 2.476 0.142 3.303 43 HB ILE 7 HB ILE 7 4.331 -0.129 0.920 44 HG12 ILE 7 1HG1 ILE 7 4.100 2.066 3.008 45 HG13 ILE 7 2HG1 ILE 7 5.441 0.939 2.830 46 HG21 ILE 7 1HG2 ILE 7 2.074 1.814 1.425 47 HG22 ILE 7 2HG2 ILE 7 2.061 0.488 0.262 48 HG23 ILE 7 3HG2 ILE 7 3.167 1.844 0.042 49 HD11 ILE 7 1HD1 ILE 7 4.620 3.040 0.836 50 HD12 ILE 7 2HD1 ILE 7 5.949 1.898 0.638 51 HD13 ILE 7 3HD1 ILE 7 6.008 3.105 1.920 52 H ARG 8 H ARG 8 3.677 -2.781 1.761 53 HA ARG 8 HA ARG 8 1.549 -3.304 0.022 54 HB2 ARG 8 1HB ARG 8 3.687 -4.623 0.123 55 HB3 ARG 8 2HB ARG 8 3.104 -5.369 1.611 56 HG2 ARG 8 1HG ARG 8 1.086 -6.128 0.250 57 HG3 ARG 8 2HG ARG 8 2.008 -5.656 -1.176 58 HD2 ARG 8 1HD ARG 8 2.842 -7.687 0.894 59 HD3 ARG 8 2HD ARG 8 2.230 -8.045 -0.716 60 HE ARG 8 HE ARG 8 4.785 -6.643 -0.219 61 HH11 ARG 8 1HH1 ARG 8 2.832 -8.883 -2.066 62 HH12 ARG 8 2HH1 ARG 8 4.160 -9.431 -3.038 63 HH21 ARG 8 1HH2 ARG 8 6.537 -7.391 -1.502 64 HH22 ARG 8 2HH2 ARG 8 6.250 -8.598 -2.716 65 H LYS 9 H LYS 9 2.049 -4.306 3.402 66 HA LYS 9 HA LYS 9 -0.525 -5.499 3.647 67 HB2 LYS 9 1HB LYS 9 1.660 -4.785 5.575 68 HB3 LYS 9 2HB LYS 9 0.085 -5.264 6.195 69 HG2 LYS 9 1HG LYS 9 1.721 -6.927 4.281 70 HG3 LYS 9 2HG LYS 9 1.742 -7.120 6.038 71 HD2 LYS 9 1HD LYS 9 -0.663 -7.606 6.019 72 HD3 LYS 9 2HD LYS 9 -0.703 -7.381 4.270 73 HE2 LYS 9 1HE LYS 9 0.981 -9.466 5.663 74 HE3 LYS 9 2HE LYS 9 -0.635 -9.773 5.029 75 HZ1 LYS 9 1HZ LYS 9 1.703 -8.880 3.426 76 HZ2 LYS 9 2HZ LYS 9 0.157 -9.192 2.822 77 HZ3 LYS 9 3HZ LYS 9 1.081 -10.450 3.469 78 H GLU 10 H GLU 10 0.689 -2.257 4.216 79 HA GLU 10 HA GLU 10 -1.606 -1.317 5.601 80 HB2 GLU 10 1HB GLU 10 0.469 0.157 3.964 81 HB3 GLU 10 2HB GLU 10 -0.800 0.962 4.879 82 HG2 GLU 10 1HG GLU 10 1.420 -0.757 5.978 83 HG3 GLU 10 2HG GLU 10 1.233 0.988 6.152 84 H LEU 11 H LEU 11 -0.750 -1.581 2.206 85 HA LEU 11 HA LEU 11 -3.068 -0.159 1.268 86 HB2 LEU 11 1HB LEU 11 -0.869 -0.318 0.052 87 HB3 LEU 11 2HB LEU 11 -1.214 -2.003 -0.267 88 HG LEU 11 HG LEU 11 -1.637 -0.312 -2.149 89 HD11 LEU 11 1HD1 LEU 11 -2.455 -2.621 -2.228 90 HD12 LEU 11 2HD1 LEU 11 -3.583 -1.495 -2.981 91 HD13 LEU 11 3HD1 LEU 11 -3.917 -2.129 -1.370 92 HD21 LEU 11 1HD2 LEU 11 -2.764 1.384 -0.799 93 HD22 LEU 11 2HD2 LEU 11 -4.090 0.265 -0.486 94 HD23 LEU 11 3HD2 LEU 11 -3.786 0.836 -2.126 95 H GLU 12 H GLU 12 -2.149 -3.472 1.864 96 HA GLU 12 HA GLU 12 -4.235 -4.824 0.586 97 HB2 GLU 12 1HB GLU 12 -2.116 -5.792 1.627 98 HB3 GLU 12 2HB GLU 12 -2.908 -5.647 3.185 99 HG2 GLU 12 1HG GLU 12 -4.026 -7.261 0.904 100 HG3 GLU 12 2HG GLU 12 -2.953 -7.924 2.132 101 H LYS 13 H LYS 13 -3.945 -3.915 4.022 102 HA LYS 13 HA LYS 13 -6.664 -4.585 4.598 103 HB2 LYS 13 1HB LYS 13 -4.935 -4.793 6.301 104 HB3 LYS 13 2HB LYS 13 -4.598 -3.070 6.205 105 HG2 LYS 13 1HG LYS 13 -6.770 -2.541 7.120 106 HG3 LYS 13 2HG LYS 13 -7.230 -4.246 7.096 107 HD2 LYS 13 1HD LYS 13 -5.470 -4.752 8.724 108 HD3 LYS 13 2HD LYS 13 -4.976 -3.056 8.728 109 HE2 LYS 13 1HE LYS 13 -6.372 -3.585 10.668 110 HE3 LYS 13 2HE LYS 13 -7.152 -2.409 9.613 111 HZ1 LYS 13 1HZ LYS 13 -8.564 -4.116 8.739 112 HZ2 LYS 13 2HZ LYS 13 -8.661 -4.163 10.428 113 HZ3 LYS 13 3HZ LYS 13 -7.746 -5.319 9.599 114 H ASN 14 H ASN 14 -4.904 -1.558 4.054 115 HA ASN 14 HA ASN 14 -7.477 -0.107 4.092 116 HB2 ASN 14 1HB ASN 14 -6.043 0.623 5.922 117 HB3 ASN 14 2HB ASN 14 -4.706 0.897 4.808 118 HD21 ASN 14 1HD2 ASN 14 -5.826 4.030 3.734 119 HD22 ASN 14 2HD2 ASN 14 -4.742 2.705 3.470 120 HA PRO 15 HA PRO 15 -5.968 0.112 -0.201 121 HB2 PRO 15 2HB PRO 15 -8.357 -0.037 -1.425 122 HB3 PRO 15 1HB PRO 15 -7.583 -1.460 -0.717 123 HG2 PRO 15 2HG PRO 15 -9.800 0.231 0.373 124 HG3 PRO 15 1HG PRO 15 -9.610 -1.532 0.413 125 HD2 PRO 15 2HD PRO 15 -9.009 0.160 2.518 126 HD3 PRO 15 1HD PRO 15 -8.321 -1.461 2.302 127 H ASN 16 H ASN 16 -5.214 2.196 -0.293 128 HA ASN 16 HA ASN 16 -7.136 4.162 -1.342 129 HB2 ASN 16 1HB ASN 16 -4.954 4.689 0.695 130 HB3 ASN 16 2HB ASN 16 -5.644 5.970 -0.296 131 HD21 ASN 16 1HD2 ASN 16 -8.639 6.187 1.499 132 HD22 ASN 16 2HD2 ASN 16 -7.803 6.580 0.037 133 H ASP 17 H ASP 17 -6.411 5.307 -3.093 134 HA ASP 17 HA ASP 17 -4.514 4.080 -4.734 135 HB2 ASP 17 1HB ASP 17 -5.708 6.857 -4.870 136 HB3 ASP 17 2HB ASP 17 -4.684 6.179 -6.133 137 H GLU 18 H GLU 18 -4.209 6.803 -2.526 138 HA GLU 18 HA GLU 18 -1.664 7.698 -3.246 139 HB2 GLU 18 1HB GLU 18 -3.099 8.895 -1.658 140 HB3 GLU 18 2HB GLU 18 -2.912 7.594 -0.489 141 HG2 GLU 18 1HG GLU 18 -0.534 8.069 -0.304 142 HG3 GLU 18 2HG GLU 18 -0.673 9.328 -1.530 143 H ILE 19 H ILE 19 -2.522 5.400 -0.656 144 HA ILE 19 HA ILE 19 0.075 4.659 0.045 145 HB ILE 19 HB ILE 19 -2.404 2.918 0.151 146 HG12 ILE 19 1HG1 ILE 19 -2.773 5.070 1.276 147 HG13 ILE 19 2HG1 ILE 19 -2.677 3.764 2.451 148 HG21 ILE 19 1HG2 ILE 19 0.176 2.762 1.720 149 HG22 ILE 19 2HG2 ILE 19 -0.373 1.625 0.489 150 HG23 ILE 19 3HG2 ILE 19 -1.258 1.775 2.007 151 HD11 ILE 19 1HD1 ILE 19 -0.459 5.692 1.789 152 HD12 ILE 19 2HD1 ILE 19 -0.394 4.404 2.993 153 HD13 ILE 19 3HD1 ILE 19 -1.505 5.757 3.209 154 H LYS 20 H LYS 20 -2.098 3.419 -2.413 155 HA LYS 20 HA LYS 20 -0.666 1.168 -3.235 156 HB2 LYS 20 1HB LYS 20 -3.052 2.024 -3.850 157 HB3 LYS 20 2HB LYS 20 -2.241 2.895 -5.139 158 HG2 LYS 20 1HG LYS 20 -2.076 -0.093 -4.758 159 HG3 LYS 20 2HG LYS 20 -3.247 0.710 -5.802 160 HD2 LYS 20 1HD LYS 20 -1.310 1.723 -7.045 161 HD3 LYS 20 2HD LYS 20 -0.239 0.694 -6.091 162 HE2 LYS 20 1HE LYS 20 -0.721 -0.299 -8.273 163 HE3 LYS 20 2HE LYS 20 -1.358 -1.296 -6.963 164 HZ1 LYS 20 1HZ LYS 20 -3.547 -0.437 -7.372 165 HZ2 LYS 20 2HZ LYS 20 -2.919 -1.027 -8.826 166 HZ3 LYS 20 3HZ LYS 20 -2.966 0.640 -8.540 167 H LYS 21 H LYS 21 -0.519 4.541 -4.415 168 HA LYS 21 HA LYS 21 1.589 3.882 -6.272 169 HB2 LYS 21 1HB LYS 21 1.554 6.243 -6.889 170 HB3 LYS 21 2HB LYS 21 -0.061 5.563 -6.886 171 HG2 LYS 21 1HG LYS 21 -0.507 7.535 -5.859 172 HG3 LYS 21 2HG LYS 21 -0.096 6.584 -4.434 173 HD2 LYS 21 1HD LYS 21 1.001 8.768 -4.374 174 HD3 LYS 21 2HD LYS 21 2.198 7.477 -4.504 175 HE2 LYS 21 1HE LYS 21 2.722 9.375 -5.986 176 HE3 LYS 21 2HE LYS 21 2.424 7.893 -6.892 177 HZ1 LYS 21 1HZ LYS 21 1.330 9.749 -7.934 178 HZ2 LYS 21 2HZ LYS 21 0.507 10.126 -6.512 179 HZ3 LYS 21 3HZ LYS 21 0.163 8.689 -7.327 180 H LYS 22 H LYS 22 1.395 4.892 -2.999 181 HA LYS 22 HA LYS 22 4.085 5.858 -2.780 182 HB2 LYS 22 1HB LYS 22 2.122 4.844 -0.706 183 HB3 LYS 22 2HB LYS 22 3.732 5.426 -0.302 184 HG2 LYS 22 1HG LYS 22 1.588 7.056 -1.667 185 HG3 LYS 22 2HG LYS 22 1.988 7.127 0.050 186 HD2 LYS 22 1HD LYS 22 3.922 7.745 -2.192 187 HD3 LYS 22 2HD LYS 22 3.015 8.958 -1.289 188 HE2 LYS 22 1HE LYS 22 4.967 6.994 -0.080 189 HE3 LYS 22 2HE LYS 22 5.333 8.673 -0.468 190 HZ1 LYS 22 1HZ LYS 22 4.793 8.381 1.872 191 HZ2 LYS 22 2HZ LYS 22 3.275 7.767 1.471 192 HZ3 LYS 22 3HZ LYS 22 3.653 9.375 1.118 193 H LEU 23 H LEU 23 2.496 2.753 -2.671 194 HA LEU 23 HA LEU 23 4.649 1.194 -1.735 195 HB2 LEU 23 1HB LEU 23 2.159 0.574 -2.203 196 HB3 LEU 23 2HB LEU 23 2.706 0.247 -3.834 197 HG LEU 23 HG LEU 23 3.832 -1.131 -1.383 198 HD11 LEU 23 1HD1 LEU 23 2.454 -3.053 -2.015 199 HD12 LEU 23 2HD1 LEU 23 1.703 -2.103 -3.298 200 HD13 LEU 23 3HD1 LEU 23 1.459 -1.656 -1.608 201 HD21 LEU 23 1HD2 LEU 23 5.342 -1.157 -3.300 202 HD22 LEU 23 2HD2 LEU 23 4.052 -1.777 -4.331 203 HD23 LEU 23 3HD2 LEU 23 4.681 -2.767 -3.012 204 H GLU 24 H GLU 24 3.786 2.435 -4.918 205 HA GLU 24 HA GLU 24 5.715 1.143 -6.484 206 HB2 GLU 24 1HB GLU 24 3.833 2.437 -7.411 207 HB3 GLU 24 2HB GLU 24 4.551 3.924 -6.812 208 HG2 GLU 24 1HG GLU 24 4.961 3.709 -9.176 209 HG3 GLU 24 2HG GLU 24 6.484 3.572 -8.294 210 H LYS 25 H LYS 25 5.928 3.891 -4.348 211 HA LYS 25 HA LYS 25 8.799 4.193 -4.986 212 HB2 LYS 25 1HB LYS 25 6.864 6.229 -3.845 213 HB3 LYS 25 2HB LYS 25 8.582 6.499 -4.112 214 HG2 LYS 25 1HG LYS 25 8.257 6.158 -6.525 215 HG3 LYS 25 2HG LYS 25 6.533 5.915 -6.248 216 HD2 LYS 25 1HD LYS 25 6.982 8.187 -7.020 217 HD3 LYS 25 2HD LYS 25 6.349 8.200 -5.373 218 HE2 LYS 25 1HE LYS 25 8.234 9.773 -5.702 219 HE3 LYS 25 2HE LYS 25 8.566 8.549 -4.475 220 HZ1 LYS 25 1HZ LYS 25 9.898 7.339 -6.047 221 HZ2 LYS 25 2HZ LYS 25 10.442 8.937 -5.990 222 HZ3 LYS 25 3HZ LYS 25 9.502 8.413 -7.291 223 H CYS 26 H CYS 26 7.649 2.233 -3.238 224 HA CYS 26 HA CYS 26 7.596 2.895 -0.537 225 HB2 CYS 26 2HB CYS 26 8.016 0.444 -0.180 226 HB3 CYS 26 1HB CYS 26 6.702 0.802 -1.296 227 H GLN 27 H GLN 27 10.287 1.391 -2.340 228 HA GLN 27 HA GLN 27 12.070 1.508 -0.133 229 HB2 GLN 27 1HB GLN 27 12.253 -0.163 -1.976 230 HB3 GLN 27 2HB GLN 27 12.742 1.133 -3.060 231 HG2 GLN 27 1HG GLN 27 14.706 1.558 -1.633 232 HG3 GLN 27 2HG GLN 27 14.229 0.207 -0.605 233 HE21 GLN 27 1HE2 GLN 27 16.448 -1.673 -2.534 234 HE22 GLN 27 2HE2 GLN 27 16.105 -0.939 -1.005 235 H ALA 28 H ALA 28 12.110 3.600 0.563 236 HA ALA 28 HA ALA 28 13.127 5.687 -1.216 237 HB1 ALA 28 1HB ALA 28 12.574 7.229 0.600 238 HB2 ALA 28 2HB ALA 28 12.120 5.871 1.629 239 HB3 ALA 28 3HB ALA 28 11.187 6.227 0.175 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 15.390 -1.111 0.564 2 H2 ALA 1 2H ALA 1 15.855 -1.898 1.982 3 H3 ALA 1 3H ALA 1 16.158 -0.246 1.797 4 HA ALA 1 HA ALA 1 14.305 -0.611 3.267 5 HB1 ALA 1 1HB ALA 1 13.480 0.566 0.610 6 HB2 ALA 1 2HB ALA 1 14.370 1.409 1.882 7 HB3 ALA 1 3HB ALA 1 12.713 0.873 2.171 8 H GLU 2 H GLU 2 13.326 -2.480 3.802 9 HA GLU 2 HA GLU 2 11.805 -4.029 1.857 10 HB2 GLU 2 1HB GLU 2 12.417 -4.348 4.786 11 HB3 GLU 2 2HB GLU 2 11.221 -5.360 3.987 12 HG2 GLU 2 1HG GLU 2 13.496 -6.320 4.212 13 HG3 GLU 2 2HG GLU 2 12.838 -6.342 2.584 14 H ASP 3 H ASP 3 11.303 -1.301 3.439 15 HA ASP 3 HA ASP 3 8.814 -1.166 4.512 16 HB2 ASP 3 1HB ASP 3 10.109 0.830 4.281 17 HB3 ASP 3 2HB ASP 3 10.128 0.692 2.533 18 H CYS 4 H CYS 4 9.571 -1.874 1.157 19 HA CYS 4 HA CYS 4 7.158 -1.606 -0.123 20 HB2 CYS 4 2HB CYS 4 8.984 -4.018 -0.341 21 HB3 CYS 4 1HB CYS 4 7.805 -3.502 -1.539 22 H GLU 5 H GLU 5 8.201 -4.264 1.975 23 HA GLU 5 HA GLU 5 5.948 -5.888 2.016 24 HB2 GLU 5 1HB GLU 5 8.168 -6.329 3.118 25 HB3 GLU 5 2HB GLU 5 7.734 -5.180 4.371 26 HG2 GLU 5 1HG GLU 5 7.298 -7.267 5.316 27 HG3 GLU 5 2HG GLU 5 5.714 -6.680 4.816 28 H ARG 6 H ARG 6 6.774 -3.181 4.139 29 HA ARG 6 HA ARG 6 4.564 -3.097 5.795 30 HB2 ARG 6 1HB ARG 6 6.648 -1.728 6.058 31 HB3 ARG 6 2HB ARG 6 6.125 -0.735 4.709 32 HG2 ARG 6 1HG ARG 6 4.179 0.014 5.964 33 HG3 ARG 6 2HG ARG 6 4.637 -1.018 7.320 34 HD2 ARG 6 1HD ARG 6 6.672 0.254 7.650 35 HD3 ARG 6 2HD ARG 6 6.332 1.227 6.219 36 HE ARG 6 HE ARG 6 4.155 1.668 7.735 37 HH11 ARG 6 1HH1 ARG 6 7.569 1.800 8.470 38 HH12 ARG 6 2HH1 ARG 6 7.404 3.061 9.650 39 HH21 ARG 6 1HH2 ARG 6 3.933 3.349 9.290 40 HH22 ARG 6 2HH2 ARG 6 5.342 3.962 10.087 41 H ILE 7 H ILE 7 5.101 -1.347 2.758 42 HA ILE 7 HA ILE 7 2.641 0.021 2.745 43 HB ILE 7 HB ILE 7 4.174 -0.718 0.248 44 HG12 ILE 7 1HG1 ILE 7 4.743 1.673 2.019 45 HG13 ILE 7 2HG1 ILE 7 5.705 0.199 2.038 46 HG21 ILE 7 1HG2 ILE 7 2.478 1.674 0.992 47 HG22 ILE 7 2HG2 ILE 7 2.020 0.357 -0.088 48 HG23 ILE 7 3HG2 ILE 7 3.323 1.453 -0.541 49 HD11 ILE 7 1HD1 ILE 7 6.277 0.532 -0.303 50 HD12 ILE 7 2HD1 ILE 7 6.738 1.923 0.680 51 HD13 ILE 7 3HD1 ILE 7 5.303 2.001 -0.335 52 H ARG 8 H ARG 8 3.677 -3.054 1.337 53 HA ARG 8 HA ARG 8 1.417 -3.518 -0.268 54 HB2 ARG 8 1HB ARG 8 3.612 -4.795 -0.317 55 HB3 ARG 8 2HB ARG 8 3.054 -5.659 1.107 56 HG2 ARG 8 1HG ARG 8 1.034 -6.352 -0.245 57 HG3 ARG 8 2HG ARG 8 1.857 -5.690 -1.659 58 HD2 ARG 8 1HD ARG 8 2.307 -8.022 -1.629 59 HD3 ARG 8 2HD ARG 8 3.790 -7.216 -1.111 60 HE ARG 8 HE ARG 8 1.888 -8.591 0.686 61 HH11 ARG 8 1HH1 ARG 8 5.122 -7.439 -0.036 62 HH12 ARG 8 2HH1 ARG 8 5.839 -8.226 1.337 63 HH21 ARG 8 1HH2 ARG 8 2.838 -9.653 2.464 64 HH22 ARG 8 2HH2 ARG 8 4.542 -9.475 2.757 65 H LYS 9 H LYS 9 2.174 -4.501 3.058 66 HA LYS 9 HA LYS 9 -0.302 -5.849 3.480 67 HB2 LYS 9 1HB LYS 9 1.802 -4.825 5.391 68 HB3 LYS 9 2HB LYS 9 0.387 -5.728 5.917 69 HG2 LYS 9 1HG LYS 9 2.452 -6.754 3.966 70 HG3 LYS 9 2HG LYS 9 2.422 -7.120 5.692 71 HD2 LYS 9 1HD LYS 9 0.207 -7.773 3.736 72 HD3 LYS 9 2HD LYS 9 1.416 -8.918 4.321 73 HE2 LYS 9 1HE LYS 9 0.606 -8.669 6.594 74 HE3 LYS 9 2HE LYS 9 -0.533 -7.424 6.084 75 HZ1 LYS 9 1HZ LYS 9 -0.581 -10.248 5.167 76 HZ2 LYS 9 2HZ LYS 9 -1.707 -9.051 4.775 77 HZ3 LYS 9 3HZ LYS 9 -1.576 -9.600 6.365 78 H GLU 10 H GLU 10 0.767 -2.552 3.926 79 HA GLU 10 HA GLU 10 -1.482 -1.721 5.458 80 HB2 GLU 10 1HB GLU 10 0.803 -0.607 5.328 81 HB3 GLU 10 2HB GLU 10 0.321 0.007 3.750 82 HG2 GLU 10 1HG GLU 10 -1.564 1.159 4.783 83 HG3 GLU 10 2HG GLU 10 -1.073 0.543 6.357 84 H LEU 11 H LEU 11 -0.692 -1.927 2.057 85 HA LEU 11 HA LEU 11 -2.929 -0.378 1.115 86 HB2 LEU 11 1HB LEU 11 -0.819 -0.569 -0.161 87 HB3 LEU 11 2HB LEU 11 -1.089 -2.290 -0.352 88 HG LEU 11 HG LEU 11 -3.133 -1.788 -1.685 89 HD11 LEU 11 1HD1 LEU 11 -2.211 1.074 -1.446 90 HD12 LEU 11 2HD1 LEU 11 -3.680 0.389 -0.748 91 HD13 LEU 11 3HD1 LEU 11 -3.500 0.491 -2.499 92 HD21 LEU 11 1HD2 LEU 11 -1.961 -1.019 -3.695 93 HD22 LEU 11 2HD2 LEU 11 -1.024 -2.224 -2.815 94 HD23 LEU 11 3HD2 LEU 11 -0.593 -0.517 -2.703 95 H GLU 12 H GLU 12 -2.168 -3.698 1.719 96 HA GLU 12 HA GLU 12 -4.221 -5.126 0.598 97 HB2 GLU 12 1HB GLU 12 -2.407 -6.156 1.834 98 HB3 GLU 12 2HB GLU 12 -2.909 -5.360 3.314 99 HG2 GLU 12 1HG GLU 12 -5.001 -6.695 3.261 100 HG3 GLU 12 2HG GLU 12 -4.360 -7.562 1.863 101 H LYS 13 H LYS 13 -4.194 -3.532 3.761 102 HA LYS 13 HA LYS 13 -7.024 -3.955 4.178 103 HB2 LYS 13 1HB LYS 13 -4.968 -2.433 5.796 104 HB3 LYS 13 2HB LYS 13 -6.608 -2.802 6.322 105 HG2 LYS 13 1HG LYS 13 -6.145 -5.154 6.349 106 HG3 LYS 13 2HG LYS 13 -4.568 -4.902 5.597 107 HD2 LYS 13 1HD LYS 13 -3.786 -3.716 7.576 108 HD3 LYS 13 2HD LYS 13 -5.379 -3.865 8.321 109 HE2 LYS 13 1HE LYS 13 -3.772 -5.524 9.188 110 HE3 LYS 13 2HE LYS 13 -5.156 -6.277 8.401 111 HZ1 LYS 13 1HZ LYS 13 -3.790 -6.621 6.423 112 HZ2 LYS 13 2HZ LYS 13 -3.096 -7.354 7.777 113 HZ3 LYS 13 3HZ LYS 13 -2.466 -5.900 7.194 114 H ASN 14 H ASN 14 -4.882 -1.279 3.359 115 HA ASN 14 HA ASN 14 -7.210 0.529 3.138 116 HB2 ASN 14 1HB ASN 14 -4.299 1.257 3.589 117 HB3 ASN 14 2HB ASN 14 -5.637 2.391 3.474 118 HD21 ASN 14 1HD2 ASN 14 -4.670 1.571 7.030 119 HD22 ASN 14 2HD2 ASN 14 -3.727 1.924 5.625 120 HA PRO 15 HA PRO 15 -5.846 -0.074 -1.190 121 HB2 PRO 15 2HB PRO 15 -8.253 0.180 -2.343 122 HB3 PRO 15 1HB PRO 15 -7.815 -1.279 -1.446 123 HG2 PRO 15 2HG PRO 15 -9.456 1.070 -0.549 124 HG3 PRO 15 1HG PRO 15 -9.779 -0.662 -0.340 125 HD2 PRO 15 2HD PRO 15 -8.679 0.906 1.613 126 HD3 PRO 15 1HD PRO 15 -8.374 -0.837 1.468 127 H ASN 16 H ASN 16 -5.337 2.398 0.062 128 HA ASN 16 HA ASN 16 -6.660 4.505 -1.438 129 HB2 ASN 16 1HB ASN 16 -4.349 4.677 0.521 130 HB3 ASN 16 2HB ASN 16 -5.279 6.035 -0.107 131 HD21 ASN 16 1HD2 ASN 16 -7.956 5.618 2.106 132 HD22 ASN 16 2HD2 ASN 16 -7.356 6.405 0.687 133 H ASP 17 H ASP 17 -5.771 5.662 -3.110 134 HA ASP 17 HA ASP 17 -3.812 4.404 -4.704 135 HB2 ASP 17 1HB ASP 17 -5.515 5.843 -5.705 136 HB3 ASP 17 2HB ASP 17 -4.876 7.241 -4.844 137 H GLU 18 H GLU 18 -3.612 6.850 -2.251 138 HA GLU 18 HA GLU 18 -1.030 7.836 -2.736 139 HB2 GLU 18 1HB GLU 18 -2.337 7.408 -0.032 140 HB3 GLU 18 2HB GLU 18 -1.047 8.544 -0.410 141 HG2 GLU 18 1HG GLU 18 -3.872 8.660 -1.463 142 HG3 GLU 18 2HG GLU 18 -3.191 9.673 -0.191 143 H ILE 19 H ILE 19 -2.118 5.204 -0.622 144 HA ILE 19 HA ILE 19 0.460 4.324 0.137 145 HB ILE 19 HB ILE 19 -2.045 2.623 0.015 146 HG12 ILE 19 1HG1 ILE 19 -2.660 4.656 1.165 147 HG13 ILE 19 2HG1 ILE 19 -2.455 3.387 2.367 148 HG21 ILE 19 1HG2 ILE 19 0.385 2.502 1.810 149 HG22 ILE 19 2HG2 ILE 19 -0.001 1.390 0.496 150 HG23 ILE 19 3HG2 ILE 19 -1.031 1.452 1.923 151 HD11 ILE 19 1HD1 ILE 19 -0.248 4.281 2.925 152 HD12 ILE 19 2HD1 ILE 19 -1.520 5.482 3.139 153 HD13 ILE 19 3HD1 ILE 19 -0.466 5.558 1.726 154 H LYS 20 H LYS 20 -1.736 3.520 -2.466 155 HA LYS 20 HA LYS 20 -0.405 1.244 -3.453 156 HB2 LYS 20 1HB LYS 20 -2.748 1.816 -3.968 157 HB3 LYS 20 2HB LYS 20 -2.204 3.193 -4.913 158 HG2 LYS 20 1HG LYS 20 -1.214 1.779 -6.566 159 HG3 LYS 20 2HG LYS 20 -1.442 0.348 -5.559 160 HD2 LYS 20 1HD LYS 20 -3.106 0.464 -7.362 161 HD3 LYS 20 2HD LYS 20 -3.866 0.554 -5.771 162 HE2 LYS 20 1HE LYS 20 -4.887 2.153 -7.282 163 HE3 LYS 20 2HE LYS 20 -4.018 3.003 -6.004 164 HZ1 LYS 20 1HZ LYS 20 -3.032 2.548 -8.772 165 HZ2 LYS 20 2HZ LYS 20 -2.190 3.360 -7.549 166 HZ3 LYS 20 3HZ LYS 20 -3.626 4.009 -8.154 167 H LYS 21 H LYS 21 0.030 4.710 -4.092 168 HA LYS 21 HA LYS 21 1.919 4.184 -6.222 169 HB2 LYS 21 1HB LYS 21 2.214 6.556 -6.410 170 HB3 LYS 21 2HB LYS 21 0.499 6.223 -6.254 171 HG2 LYS 21 1HG LYS 21 0.458 7.019 -4.017 172 HG3 LYS 21 2HG LYS 21 2.219 7.076 -3.937 173 HD2 LYS 21 1HD LYS 21 1.318 9.318 -4.226 174 HD3 LYS 21 2HD LYS 21 2.232 8.840 -5.654 175 HE2 LYS 21 1HE LYS 21 0.204 9.958 -6.336 176 HE3 LYS 21 2HE LYS 21 0.106 8.255 -6.778 177 HZ1 LYS 21 1HZ LYS 21 -1.962 9.044 -5.818 178 HZ2 LYS 21 2HZ LYS 21 -1.164 9.501 -4.398 179 HZ3 LYS 21 3HZ LYS 21 -1.265 7.869 -4.828 180 H LYS 22 H LYS 22 2.043 4.957 -2.773 181 HA LYS 22 HA LYS 22 4.824 5.366 -2.588 182 HB2 LYS 22 1HB LYS 22 3.289 5.840 -0.718 183 HB3 LYS 22 2HB LYS 22 2.972 4.119 -0.534 184 HG2 LYS 22 1HG LYS 22 5.260 3.718 0.139 185 HG3 LYS 22 2HG LYS 22 5.688 5.398 -0.185 186 HD2 LYS 22 1HD LYS 22 4.188 6.140 1.593 187 HD3 LYS 22 2HD LYS 22 3.688 4.477 1.887 188 HE2 LYS 22 1HE LYS 22 6.528 5.463 2.192 189 HE3 LYS 22 2HE LYS 22 5.371 5.372 3.518 190 HZ1 LYS 22 1HZ LYS 22 6.468 3.116 1.930 191 HZ2 LYS 22 2HZ LYS 22 5.173 2.954 3.001 192 HZ3 LYS 22 3HZ LYS 22 6.690 3.416 3.578 193 H LEU 23 H LEU 23 2.874 2.413 -2.567 194 HA LEU 23 HA LEU 23 4.944 0.552 -2.187 195 HB2 LEU 23 1HB LEU 23 2.318 0.281 -2.347 196 HB3 LEU 23 2HB LEU 23 2.648 -0.026 -4.039 197 HG LEU 23 HG LEU 23 3.777 -1.626 -1.723 198 HD11 LEU 23 1HD1 LEU 23 1.370 -1.946 -1.964 199 HD12 LEU 23 2HD1 LEU 23 2.252 -3.391 -2.448 200 HD13 LEU 23 3HD1 LEU 23 1.578 -2.317 -3.674 201 HD21 LEU 23 1HD2 LEU 23 4.504 -3.218 -3.438 202 HD22 LEU 23 2HD2 LEU 23 5.270 -1.644 -3.656 203 HD23 LEU 23 3HD2 LEU 23 3.931 -2.125 -4.701 204 H GLU 24 H GLU 24 3.513 1.881 -5.131 205 HA GLU 24 HA GLU 24 5.117 0.663 -7.050 206 HB2 GLU 24 1HB GLU 24 3.034 2.004 -7.435 207 HB3 GLU 24 2HB GLU 24 3.966 3.464 -7.145 208 HG2 GLU 24 1HG GLU 24 5.361 2.969 -9.090 209 HG3 GLU 24 2HG GLU 24 4.448 1.485 -9.369 210 H LYS 25 H LYS 25 5.680 3.506 -5.067 211 HA LYS 25 HA LYS 25 8.066 4.387 -6.318 212 HB2 LYS 25 1HB LYS 25 6.714 5.802 -4.813 213 HB3 LYS 25 2HB LYS 25 7.112 4.751 -3.463 214 HG2 LYS 25 1HG LYS 25 8.454 6.742 -3.359 215 HG3 LYS 25 2HG LYS 25 9.489 5.358 -3.720 216 HD2 LYS 25 1HD LYS 25 9.553 5.978 -6.070 217 HD3 LYS 25 2HD LYS 25 8.421 7.301 -5.777 218 HE2 LYS 25 1HE LYS 25 11.187 7.064 -4.576 219 HE3 LYS 25 2HE LYS 25 10.751 8.086 -5.946 220 HZ1 LYS 25 1HZ LYS 25 10.808 9.352 -3.900 221 HZ2 LYS 25 2HZ LYS 25 9.670 8.327 -3.190 222 HZ3 LYS 25 3HZ LYS 25 9.230 9.296 -4.500 223 H CYS 26 H CYS 26 7.389 2.251 -3.574 224 HA CYS 26 HA CYS 26 10.085 1.742 -2.867 225 HB2 CYS 26 2HB CYS 26 7.961 1.330 -1.476 226 HB3 CYS 26 1HB CYS 26 7.773 -0.156 -2.399 227 H GLN 27 H GLN 27 8.001 0.523 -5.342 228 HA GLN 27 HA GLN 27 9.567 -1.824 -5.946 229 HB2 GLN 27 1HB GLN 27 7.384 -0.422 -7.510 230 HB3 GLN 27 2HB GLN 27 8.114 -1.954 -7.972 231 HG2 GLN 27 1HG GLN 27 6.582 -1.453 -5.428 232 HG3 GLN 27 2HG GLN 27 5.941 -2.233 -6.872 233 HE21 GLN 27 1HE2 GLN 27 7.436 -5.337 -6.247 234 HE22 GLN 27 2HE2 GLN 27 6.613 -4.325 -7.387 235 H ALA 28 H ALA 28 10.367 1.280 -6.211 236 HA ALA 28 HA ALA 28 12.168 0.738 -8.454 237 HB1 ALA 28 1HB ALA 28 10.575 3.299 -8.158 238 HB2 ALA 28 2HB ALA 28 10.305 2.056 -9.380 239 HB3 ALA 28 3HB ALA 28 11.806 2.979 -9.383 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 13.616 0.264 -0.474 2 H2 ALA 1 2H ALA 1 12.046 -0.325 -0.255 3 H3 ALA 1 3H ALA 1 13.343 -1.403 -0.391 4 HA ALA 1 HA ALA 1 14.288 -0.560 1.659 5 HB1 ALA 1 1HB ALA 1 13.344 1.699 1.503 6 HB2 ALA 1 2HB ALA 1 12.986 0.951 3.058 7 HB3 ALA 1 3HB ALA 1 11.737 1.045 1.818 8 H GLU 2 H GLU 2 13.456 -1.286 3.830 9 HA GLU 2 HA GLU 2 12.238 -3.823 3.565 10 HB2 GLU 2 1HB GLU 2 12.761 -2.127 6.015 11 HB3 GLU 2 2HB GLU 2 12.224 -3.801 6.069 12 HG2 GLU 2 1HG GLU 2 14.809 -2.803 4.884 13 HG3 GLU 2 2HG GLU 2 14.620 -3.632 6.429 14 H ASP 3 H ASP 3 10.988 -0.662 4.272 15 HA ASP 3 HA ASP 3 8.563 -1.463 5.487 16 HB2 ASP 3 1HB ASP 3 9.643 0.823 5.614 17 HB3 ASP 3 2HB ASP 3 9.056 1.112 3.981 18 H CYS 4 H CYS 4 9.598 -1.712 2.271 19 HA CYS 4 HA CYS 4 7.374 -1.155 0.721 20 HB2 CYS 4 2HB CYS 4 9.379 -3.405 0.414 21 HB3 CYS 4 1HB CYS 4 8.213 -2.951 -0.823 22 H GLU 5 H GLU 5 8.186 -4.284 2.230 23 HA GLU 5 HA GLU 5 5.860 -5.650 1.499 24 HB2 GLU 5 1HB GLU 5 7.968 -6.643 2.457 25 HB3 GLU 5 2HB GLU 5 7.464 -6.060 4.038 26 HG2 GLU 5 1HG GLU 5 5.553 -7.504 4.033 27 HG3 GLU 5 2HG GLU 5 5.844 -7.967 2.357 28 H ARG 6 H ARG 6 6.598 -3.626 4.265 29 HA ARG 6 HA ARG 6 4.265 -4.043 5.775 30 HB2 ARG 6 1HB ARG 6 6.412 -2.968 6.557 31 HB3 ARG 6 2HB ARG 6 5.966 -1.533 5.652 32 HG2 ARG 6 1HG ARG 6 4.083 -2.607 7.712 33 HG3 ARG 6 2HG ARG 6 5.502 -1.694 8.220 34 HD2 ARG 6 1HD ARG 6 4.802 0.212 6.908 35 HD3 ARG 6 2HD ARG 6 3.446 -0.702 6.247 36 HE ARG 6 HE ARG 6 3.215 -0.727 9.031 37 HH11 ARG 6 1HH1 ARG 6 3.133 1.615 6.435 38 HH12 ARG 6 2HH1 ARG 6 1.965 2.627 7.220 39 HH21 ARG 6 1HH2 ARG 6 1.663 0.593 10.057 40 HH22 ARG 6 2HH2 ARG 6 1.119 2.044 9.271 41 H ILE 7 H ILE 7 5.064 -1.700 3.244 42 HA ILE 7 HA ILE 7 2.683 -0.196 3.336 43 HB ILE 7 HB ILE 7 4.546 -0.677 0.996 44 HG12 ILE 7 1HG1 ILE 7 4.415 1.624 2.965 45 HG13 ILE 7 2HG1 ILE 7 5.639 0.360 2.957 46 HG21 ILE 7 1HG2 ILE 7 2.370 0.107 0.239 47 HG22 ILE 7 2HG2 ILE 7 3.588 1.364 0.040 48 HG23 ILE 7 3HG2 ILE 7 2.443 1.452 1.378 49 HD11 ILE 7 1HD1 ILE 7 5.167 2.365 0.760 50 HD12 ILE 7 2HD1 ILE 7 6.413 1.114 0.772 51 HD13 ILE 7 3HD1 ILE 7 6.458 2.419 1.959 52 H ARG 8 H ARG 8 3.640 -3.052 1.446 53 HA ARG 8 HA ARG 8 1.284 -3.248 -0.088 54 HB2 ARG 8 1HB ARG 8 3.557 -4.550 -0.264 55 HB3 ARG 8 2HB ARG 8 2.784 -5.702 0.815 56 HG2 ARG 8 1HG ARG 8 1.364 -4.837 -1.675 57 HG3 ARG 8 2HG ARG 8 2.670 -6.017 -1.788 58 HD2 ARG 8 1HD ARG 8 0.361 -6.368 0.114 59 HD3 ARG 8 2HD ARG 8 0.279 -6.903 -1.563 60 HE ARG 8 HE ARG 8 2.592 -7.862 -0.123 61 HH11 ARG 8 1HH1 ARG 8 -0.757 -8.503 -0.927 62 HH12 ARG 8 2HH1 ARG 8 -0.615 -10.215 -0.692 63 HH21 ARG 8 1HH2 ARG 8 2.797 -10.119 0.114 64 HH22 ARG 8 2HH2 ARG 8 1.412 -11.134 -0.122 65 H LYS 9 H LYS 9 2.144 -4.464 3.133 66 HA LYS 9 HA LYS 9 -0.217 -5.863 3.698 67 HB2 LYS 9 1HB LYS 9 1.343 -4.178 5.679 68 HB3 LYS 9 2HB LYS 9 0.247 -5.492 6.066 69 HG2 LYS 9 1HG LYS 9 2.915 -5.715 4.687 70 HG3 LYS 9 2HG LYS 9 2.531 -6.206 6.334 71 HD2 LYS 9 1HD LYS 9 0.912 -7.855 5.403 72 HD3 LYS 9 2HD LYS 9 1.459 -7.417 3.781 73 HE2 LYS 9 1HE LYS 9 3.777 -8.058 4.470 74 HE3 LYS 9 2HE LYS 9 3.109 -8.646 5.993 75 HZ1 LYS 9 1HZ LYS 9 2.517 -9.663 3.273 76 HZ2 LYS 9 2HZ LYS 9 1.696 -10.158 4.660 77 HZ3 LYS 9 3HZ LYS 9 3.349 -10.473 4.505 78 H GLU 10 H GLU 10 0.609 -2.438 4.186 79 HA GLU 10 HA GLU 10 -1.818 -1.545 5.215 80 HB2 GLU 10 1HB GLU 10 0.133 -0.105 3.402 81 HB3 GLU 10 2HB GLU 10 -1.204 0.680 4.232 82 HG2 GLU 10 1HG GLU 10 1.124 -0.722 5.530 83 HG3 GLU 10 2HG GLU 10 0.871 1.021 5.430 84 H LEU 11 H LEU 11 -0.860 -2.152 1.873 85 HA LEU 11 HA LEU 11 -3.213 -1.112 0.675 86 HB2 LEU 11 1HB LEU 11 -1.199 -3.149 -0.277 87 HB3 LEU 11 2HB LEU 11 -2.552 -2.623 -1.264 88 HG LEU 11 HG LEU 11 -0.328 -0.856 -0.224 89 HD11 LEU 11 1HD1 LEU 11 -0.933 -1.850 -3.009 90 HD12 LEU 11 2HD1 LEU 11 0.437 -2.318 -2.002 91 HD13 LEU 11 3HD1 LEU 11 0.303 -0.661 -2.592 92 HD21 LEU 11 1HD2 LEU 11 -2.436 0.363 -0.348 93 HD22 LEU 11 2HD2 LEU 11 -2.677 -0.190 -2.007 94 HD23 LEU 11 3HD2 LEU 11 -1.337 0.892 -1.622 95 H GLU 12 H GLU 12 -2.338 -4.320 1.897 96 HA GLU 12 HA GLU 12 -4.595 -5.739 1.104 97 HB2 GLU 12 1HB GLU 12 -2.640 -6.792 2.154 98 HB3 GLU 12 2HB GLU 12 -3.016 -5.994 3.676 99 HG2 GLU 12 1HG GLU 12 -5.253 -7.203 3.571 100 HG3 GLU 12 2HG GLU 12 -4.532 -8.180 2.296 101 H LYS 13 H LYS 13 -4.074 -3.820 4.072 102 HA LYS 13 HA LYS 13 -6.700 -4.381 5.098 103 HB2 LYS 13 1HB LYS 13 -4.545 -2.445 5.968 104 HB3 LYS 13 2HB LYS 13 -6.103 -2.540 6.772 105 HG2 LYS 13 1HG LYS 13 -4.586 -3.818 8.059 106 HG3 LYS 13 2HG LYS 13 -5.627 -4.966 7.220 107 HD2 LYS 13 1HD LYS 13 -3.907 -5.465 5.626 108 HD3 LYS 13 2HD LYS 13 -2.891 -4.158 6.235 109 HE2 LYS 13 1HE LYS 13 -2.065 -6.278 7.054 110 HE3 LYS 13 2HE LYS 13 -2.710 -5.335 8.396 111 HZ1 LYS 13 1HZ LYS 13 -4.731 -6.654 8.289 112 HZ2 LYS 13 2HZ LYS 13 -3.382 -7.640 8.530 113 HZ3 LYS 13 3HZ LYS 13 -4.102 -7.555 7.006 114 H ASN 14 H ASN 14 -5.163 -1.564 3.594 115 HA ASN 14 HA ASN 14 -7.813 -0.437 3.022 116 HB2 ASN 14 1HB ASN 14 -5.513 1.146 4.209 117 HB3 ASN 14 2HB ASN 14 -7.059 1.811 3.696 118 HD21 ASN 14 1HD2 ASN 14 -8.770 0.913 6.605 119 HD22 ASN 14 2HD2 ASN 14 -8.886 1.459 4.967 120 HA PRO 15 HA PRO 15 -5.340 -0.352 -0.819 121 HB2 PRO 15 2HB PRO 15 -7.474 -0.168 -2.504 122 HB3 PRO 15 1HB PRO 15 -6.928 -1.698 -1.805 123 HG2 PRO 15 2HG PRO 15 -9.167 0.098 -0.925 124 HG3 PRO 15 1HG PRO 15 -9.145 -1.670 -1.077 125 HD2 PRO 15 2HD PRO 15 -8.853 -0.425 1.306 126 HD3 PRO 15 1HD PRO 15 -8.041 -1.960 0.933 127 H ASN 16 H ASN 16 -4.762 1.813 0.189 128 HA ASN 16 HA ASN 16 -6.248 4.104 -0.819 129 HB2 ASN 16 1HB ASN 16 -3.778 3.856 0.912 130 HB3 ASN 16 2HB ASN 16 -4.382 5.405 0.342 131 HD21 ASN 16 1HD2 ASN 16 -6.172 3.467 3.413 132 HD22 ASN 16 2HD2 ASN 16 -4.923 2.723 2.473 133 H ASP 17 H ASP 17 -5.639 5.386 -2.479 134 HA ASP 17 HA ASP 17 -3.778 4.475 -4.407 135 HB2 ASP 17 1HB ASP 17 -5.198 7.121 -4.038 136 HB3 ASP 17 2HB ASP 17 -4.144 6.789 -5.409 137 H GLU 18 H GLU 18 -3.613 6.799 -1.790 138 HA GLU 18 HA GLU 18 -1.159 8.017 -2.389 139 HB2 GLU 18 1HB GLU 18 -3.028 8.198 -0.351 140 HB3 GLU 18 2HB GLU 18 -1.639 7.520 0.480 141 HG2 GLU 18 1HG GLU 18 -1.833 10.140 -0.982 142 HG3 GLU 18 2HG GLU 18 -1.515 9.863 0.729 143 H ILE 19 H ILE 19 -1.830 5.342 -0.155 144 HA ILE 19 HA ILE 19 0.822 4.622 0.384 145 HB ILE 19 HB ILE 19 -1.789 3.117 0.575 146 HG12 ILE 19 1HG1 ILE 19 -1.342 3.265 3.009 147 HG13 ILE 19 2HG1 ILE 19 0.148 4.139 2.679 148 HG21 ILE 19 1HG2 ILE 19 -0.099 1.436 0.081 149 HG22 ILE 19 2HG2 ILE 19 -0.643 1.303 1.751 150 HG23 ILE 19 3HG2 ILE 19 0.912 2.049 1.386 151 HD11 ILE 19 1HD1 ILE 19 -2.639 5.087 2.047 152 HD12 ILE 19 2HD1 ILE 19 -1.149 5.973 1.719 153 HD13 ILE 19 3HD1 ILE 19 -1.625 5.630 3.381 154 H LYS 20 H LYS 20 -1.421 3.564 -2.120 155 HA LYS 20 HA LYS 20 0.070 1.488 -3.247 156 HB2 LYS 20 1HB LYS 20 -2.255 1.859 -3.828 157 HB3 LYS 20 2HB LYS 20 -1.876 3.434 -4.506 158 HG2 LYS 20 1HG LYS 20 -0.657 2.405 -6.331 159 HG3 LYS 20 2HG LYS 20 -0.890 0.805 -5.618 160 HD2 LYS 20 1HD LYS 20 -2.474 1.230 -7.457 161 HD3 LYS 20 2HD LYS 20 -3.302 0.992 -5.918 162 HE2 LYS 20 1HE LYS 20 -3.447 3.473 -5.684 163 HE3 LYS 20 2HE LYS 20 -2.757 3.623 -7.299 164 HZ1 LYS 20 1HZ LYS 20 -5.309 2.267 -6.621 165 HZ2 LYS 20 2HZ LYS 20 -4.654 2.398 -8.173 166 HZ3 LYS 20 3HZ LYS 20 -5.163 3.788 -7.351 167 H LYS 21 H LYS 21 0.061 4.961 -3.967 168 HA LYS 21 HA LYS 21 1.963 4.888 -6.049 169 HB2 LYS 21 1HB LYS 21 0.456 6.818 -5.555 170 HB3 LYS 21 2HB LYS 21 1.394 7.147 -4.106 171 HG2 LYS 21 1HG LYS 21 2.079 8.664 -5.826 172 HG3 LYS 21 2HG LYS 21 3.391 7.523 -5.532 173 HD2 LYS 21 1HD LYS 21 3.113 7.890 -7.923 174 HD3 LYS 21 2HD LYS 21 2.690 6.227 -7.512 175 HE2 LYS 21 1HE LYS 21 1.076 7.158 -9.087 176 HE3 LYS 21 2HE LYS 21 0.305 6.839 -7.535 177 HZ1 LYS 21 1HZ LYS 21 1.232 9.487 -8.505 178 HZ2 LYS 21 2HZ LYS 21 0.531 9.193 -6.998 179 HZ3 LYS 21 3HZ LYS 21 -0.376 8.972 -8.404 180 H LYS 22 H LYS 22 2.259 5.376 -2.550 181 HA LYS 22 HA LYS 22 5.053 5.782 -2.492 182 HB2 LYS 22 1HB LYS 22 3.159 4.735 -0.378 183 HB3 LYS 22 2HB LYS 22 4.840 5.141 -0.067 184 HG2 LYS 22 1HG LYS 22 2.706 7.055 -1.020 185 HG3 LYS 22 2HG LYS 22 3.341 6.937 0.624 186 HD2 LYS 22 1HD LYS 22 5.588 7.524 -0.227 187 HD3 LYS 22 2HD LYS 22 4.915 7.694 -1.848 188 HE2 LYS 22 1HE LYS 22 4.132 9.327 0.573 189 HE3 LYS 22 2HE LYS 22 5.183 9.866 -0.736 190 HZ1 LYS 22 1HZ LYS 22 2.298 9.209 -0.907 191 HZ2 LYS 22 2HZ LYS 22 3.275 9.483 -2.258 192 HZ3 LYS 22 3HZ LYS 22 3.027 10.717 -1.139 193 H LEU 23 H LEU 23 3.098 2.873 -2.547 194 HA LEU 23 HA LEU 23 4.990 1.011 -1.669 195 HB2 LEU 23 1HB LEU 23 2.545 0.614 -1.947 196 HB3 LEU 23 2HB LEU 23 2.766 0.595 -3.682 197 HG LEU 23 HG LEU 23 2.536 -1.652 -2.420 198 HD11 LEU 23 1HD1 LEU 23 4.825 -1.283 -4.346 199 HD12 LEU 23 2HD1 LEU 23 3.126 -1.504 -4.776 200 HD13 LEU 23 3HD1 LEU 23 4.007 -2.802 -3.969 201 HD21 LEU 23 1HD2 LEU 23 4.640 -2.612 -1.608 202 HD22 LEU 23 2HD2 LEU 23 4.139 -1.219 -0.651 203 HD23 LEU 23 3HD2 LEU 23 5.437 -1.054 -1.833 204 H GLU 24 H GLU 24 4.380 2.362 -4.872 205 HA GLU 24 HA GLU 24 6.230 0.599 -6.190 206 HB2 GLU 24 1HB GLU 24 4.962 3.161 -7.192 207 HB3 GLU 24 2HB GLU 24 5.785 1.958 -8.179 208 HG2 GLU 24 1HG GLU 24 4.069 0.295 -7.489 209 HG3 GLU 24 2HG GLU 24 3.216 1.587 -6.646 210 H LYS 25 H LYS 25 6.509 3.562 -4.472 211 HA LYS 25 HA LYS 25 9.207 4.005 -5.595 212 HB2 LYS 25 1HB LYS 25 7.522 5.856 -5.920 213 HB3 LYS 25 2HB LYS 25 7.474 6.042 -4.170 214 HG2 LYS 25 1HG LYS 25 9.876 6.573 -4.175 215 HG3 LYS 25 2HG LYS 25 9.898 6.416 -5.932 216 HD2 LYS 25 1HD LYS 25 8.306 8.269 -6.122 217 HD3 LYS 25 2HD LYS 25 8.247 8.404 -4.361 218 HE2 LYS 25 1HE LYS 25 9.722 10.098 -5.289 219 HE3 LYS 25 2HE LYS 25 10.643 8.941 -4.328 220 HZ1 LYS 25 1HZ LYS 25 10.434 8.942 -7.291 221 HZ2 LYS 25 2HZ LYS 25 11.332 7.849 -6.367 222 HZ3 LYS 25 3HZ LYS 25 11.767 9.481 -6.397 223 H CYS 26 H CYS 26 8.363 2.160 -3.424 224 HA CYS 26 HA CYS 26 9.244 3.323 -0.937 225 HB2 CYS 26 2HB CYS 26 8.851 1.127 0.002 226 HB3 CYS 26 1HB CYS 26 7.521 1.521 -1.085 227 H GLN 27 H GLN 27 11.169 3.455 -3.091 228 HA GLN 27 HA GLN 27 13.151 1.521 -3.090 229 HB2 GLN 27 1HB GLN 27 14.658 3.357 -3.858 230 HB3 GLN 27 2HB GLN 27 13.129 3.298 -4.727 231 HG2 GLN 27 1HG GLN 27 12.283 5.126 -3.274 232 HG3 GLN 27 2HG GLN 27 13.877 5.224 -2.529 233 HE21 GLN 27 1HE2 GLN 27 14.488 7.765 -4.839 234 HE22 GLN 27 2HE2 GLN 27 14.175 7.341 -3.192 235 H ALA 28 H ALA 28 12.796 4.362 -1.021 236 HA ALA 28 HA ALA 28 14.378 3.099 1.059 237 HB1 ALA 28 1HB ALA 28 15.118 5.811 -0.068 238 HB2 ALA 28 2HB ALA 28 16.063 4.332 -0.234 239 HB3 ALA 28 3HB ALA 28 15.833 5.058 1.356 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 9.183 7.236 6.047 2 H2 ALA 1 2H ALA 1 10.548 8.194 5.755 3 H3 ALA 1 3H ALA 1 10.496 7.185 7.110 4 HA ALA 1 HA ALA 1 10.456 6.254 4.304 5 HB1 ALA 1 1HB ALA 1 12.728 6.228 6.299 6 HB2 ALA 1 2HB ALA 1 12.610 7.272 4.881 7 HB3 ALA 1 3HB ALA 1 12.759 5.524 4.683 8 H GLU 2 H GLU 2 9.084 4.577 4.420 9 HA GLU 2 HA GLU 2 9.423 2.636 6.615 10 HB2 GLU 2 1HB GLU 2 7.070 1.891 5.980 11 HB3 GLU 2 2HB GLU 2 7.209 3.448 6.778 12 HG2 GLU 2 1HG GLU 2 7.042 3.206 3.786 13 HG3 GLU 2 2HG GLU 2 5.605 3.256 4.804 14 H ASP 3 H ASP 3 8.743 0.361 5.921 15 HA ASP 3 HA ASP 3 10.454 -0.314 3.667 16 HB2 ASP 3 1HB ASP 3 10.619 -1.532 5.837 17 HB3 ASP 3 2HB ASP 3 8.989 -2.143 5.591 18 H CYS 4 H CYS 4 9.816 -1.610 1.908 19 HA CYS 4 HA CYS 4 7.388 -0.820 0.752 20 HB2 CYS 4 2HB CYS 4 9.240 -3.057 -0.098 21 HB3 CYS 4 1HB CYS 4 7.984 -2.329 -1.098 22 H GLU 5 H GLU 5 8.289 -3.869 2.358 23 HA GLU 5 HA GLU 5 5.884 -5.234 1.676 24 HB2 GLU 5 1HB GLU 5 7.916 -6.427 2.449 25 HB3 GLU 5 2HB GLU 5 7.710 -5.724 4.050 26 HG2 GLU 5 1HG GLU 5 5.490 -6.847 4.195 27 HG3 GLU 5 2HG GLU 5 5.836 -7.640 2.660 28 H ARG 6 H ARG 6 6.817 -3.054 4.228 29 HA ARG 6 HA ARG 6 4.546 -3.397 5.888 30 HB2 ARG 6 1HB ARG 6 6.384 -1.009 5.541 31 HB3 ARG 6 2HB ARG 6 5.215 -1.193 6.842 32 HG2 ARG 6 1HG ARG 6 7.552 -3.033 6.328 33 HG3 ARG 6 2HG ARG 6 7.499 -1.755 7.545 34 HD2 ARG 6 1HD ARG 6 5.607 -4.107 7.434 35 HD3 ARG 6 2HD ARG 6 7.034 -4.014 8.464 36 HE ARG 6 HE ARG 6 5.966 -2.067 9.539 37 HH11 ARG 6 1HH1 ARG 6 3.946 -4.354 7.822 38 HH12 ARG 6 2HH1 ARG 6 2.520 -3.960 8.727 39 HH21 ARG 6 1HH2 ARG 6 4.099 -1.557 10.730 40 HH22 ARG 6 2HH2 ARG 6 2.610 -2.385 10.388 41 H ILE 7 H ILE 7 5.340 -1.014 3.365 42 HA ILE 7 HA ILE 7 2.880 0.313 3.265 43 HB ILE 7 HB ILE 7 4.730 -0.245 0.926 44 HG12 ILE 7 1HG1 ILE 7 4.713 2.111 2.838 45 HG13 ILE 7 2HG1 ILE 7 5.895 0.806 2.853 46 HG21 ILE 7 1HG2 ILE 7 2.531 0.575 0.231 47 HG22 ILE 7 2HG2 ILE 7 3.768 1.802 -0.035 48 HG23 ILE 7 3HG2 ILE 7 2.677 1.937 1.343 49 HD11 ILE 7 1HD1 ILE 7 6.772 2.793 1.768 50 HD12 ILE 7 2HD1 ILE 7 5.451 2.756 0.603 51 HD13 ILE 7 3HD1 ILE 7 6.644 1.457 0.625 52 H ARG 8 H ARG 8 3.986 -2.677 1.785 53 HA ARG 8 HA ARG 8 1.820 -3.242 0.119 54 HB2 ARG 8 1HB ARG 8 3.953 -4.545 0.197 55 HB3 ARG 8 2HB ARG 8 3.447 -5.226 1.734 56 HG2 ARG 8 1HG ARG 8 1.453 -6.183 0.576 57 HG3 ARG 8 2HG ARG 8 2.138 -5.633 -0.952 58 HD2 ARG 8 1HD ARG 8 3.422 -7.570 0.976 59 HD3 ARG 8 2HD ARG 8 2.631 -7.996 -0.539 60 HE ARG 8 HE ARG 8 4.690 -6.122 -1.026 61 HH11 ARG 8 1HH1 ARG 8 4.240 -9.481 -0.116 62 HH12 ARG 8 2HH1 ARG 8 5.719 -10.010 -0.861 63 HH21 ARG 8 1HH2 ARG 8 6.647 -6.821 -1.980 64 HH22 ARG 8 2HH2 ARG 8 7.077 -8.501 -1.923 65 H LYS 9 H LYS 9 2.393 -4.136 3.507 66 HA LYS 9 HA LYS 9 -0.059 -5.417 3.970 67 HB2 LYS 9 1HB LYS 9 1.694 -3.914 5.926 68 HB3 LYS 9 2HB LYS 9 0.389 -5.000 6.372 69 HG2 LYS 9 1HG LYS 9 2.817 -5.851 4.797 70 HG3 LYS 9 2HG LYS 9 2.687 -5.968 6.550 71 HD2 LYS 9 1HD LYS 9 2.116 -8.113 5.825 72 HD3 LYS 9 2HD LYS 9 0.553 -7.352 6.092 73 HE2 LYS 9 1HE LYS 9 0.382 -6.899 3.673 74 HE3 LYS 9 2HE LYS 9 1.935 -7.691 3.424 75 HZ1 LYS 9 1HZ LYS 9 0.970 -9.743 4.267 76 HZ2 LYS 9 2HZ LYS 9 0.102 -9.173 2.935 77 HZ3 LYS 9 3HZ LYS 9 -0.518 -8.976 4.494 78 H GLU 10 H GLU 10 0.867 -2.014 4.165 79 HA GLU 10 HA GLU 10 -1.594 -1.077 5.209 80 HB2 GLU 10 1HB GLU 10 0.394 0.366 3.440 81 HB3 GLU 10 2HB GLU 10 -0.914 1.134 4.330 82 HG2 GLU 10 1HG GLU 10 1.488 -0.277 5.475 83 HG3 GLU 10 2HG GLU 10 1.138 1.448 5.523 84 H LEU 11 H LEU 11 -0.518 -1.794 1.929 85 HA LEU 11 HA LEU 11 -2.831 -0.589 0.699 86 HB2 LEU 11 1HB LEU 11 -0.553 -0.763 -0.370 87 HB3 LEU 11 2HB LEU 11 -0.838 -2.484 -0.556 88 HG LEU 11 HG LEU 11 -2.770 -2.008 -2.016 89 HD11 LEU 11 1HD1 LEU 11 -3.177 0.273 -2.813 90 HD12 LEU 11 2HD1 LEU 11 -1.964 0.883 -1.685 91 HD13 LEU 11 3HD1 LEU 11 -3.442 0.136 -1.075 92 HD21 LEU 11 1HD2 LEU 11 -1.509 -1.170 -3.946 93 HD22 LEU 11 2HD2 LEU 11 -0.575 -2.350 -3.026 94 HD23 LEU 11 3HD2 LEU 11 -0.220 -0.627 -2.871 95 H GLU 12 H GLU 12 -1.908 -3.765 1.799 96 HA GLU 12 HA GLU 12 -4.060 -5.168 0.523 97 HB2 GLU 12 1HB GLU 12 -2.323 -5.913 2.894 98 HB3 GLU 12 2HB GLU 12 -3.464 -7.001 2.116 99 HG2 GLU 12 1HG GLU 12 -1.053 -5.757 0.804 100 HG3 GLU 12 2HG GLU 12 -1.155 -7.406 1.413 101 H LYS 13 H LYS 13 -3.500 -3.653 3.629 102 HA LYS 13 HA LYS 13 -5.992 -4.522 4.796 103 HB2 LYS 13 1HB LYS 13 -3.989 -4.264 6.165 104 HB3 LYS 13 2HB LYS 13 -3.864 -2.574 5.722 105 HG2 LYS 13 1HG LYS 13 -6.298 -3.566 7.157 106 HG3 LYS 13 2HG LYS 13 -4.807 -3.252 8.045 107 HD2 LYS 13 1HD LYS 13 -4.831 -0.937 6.989 108 HD3 LYS 13 2HD LYS 13 -6.474 -1.300 6.455 109 HE2 LYS 13 1HE LYS 13 -6.559 -0.053 8.521 110 HE3 LYS 13 2HE LYS 13 -7.109 -1.701 8.818 111 HZ1 LYS 13 1HZ LYS 13 -4.407 -0.626 9.429 112 HZ2 LYS 13 2HZ LYS 13 -4.903 -2.222 9.688 113 HZ3 LYS 13 3HZ LYS 13 -5.621 -0.965 10.558 114 H ASN 14 H ASN 14 -4.703 -1.607 3.311 115 HA ASN 14 HA ASN 14 -7.405 -0.462 3.253 116 HB2 ASN 14 1HB ASN 14 -6.288 0.593 5.151 117 HB3 ASN 14 2HB ASN 14 -4.904 1.006 4.145 118 HD21 ASN 14 1HD2 ASN 14 -6.394 4.160 3.929 119 HD22 ASN 14 2HD2 ASN 14 -5.130 3.194 4.612 120 HA PRO 15 HA PRO 15 -5.623 -0.244 -0.995 121 HB2 PRO 15 2HB PRO 15 -8.525 -0.260 -1.617 122 HB3 PRO 15 1HB PRO 15 -7.230 -1.259 -2.284 123 HG2 PRO 15 2HG PRO 15 -9.031 -2.280 -0.586 124 HG3 PRO 15 1HG PRO 15 -7.331 -2.790 -0.543 125 HD2 PRO 15 2HD PRO 15 -8.785 -0.874 1.253 126 HD3 PRO 15 1HD PRO 15 -7.590 -2.123 1.668 127 H ASN 16 H ASN 16 -4.930 1.859 -0.969 128 HA ASN 16 HA ASN 16 -6.930 3.936 -1.475 129 HB2 ASN 16 1HB ASN 16 -6.439 3.951 0.974 130 HB3 ASN 16 2HB ASN 16 -4.740 4.228 0.603 131 HD21 ASN 16 1HD2 ASN 16 -7.463 7.229 0.355 132 HD22 ASN 16 2HD2 ASN 16 -7.945 5.576 0.545 133 H ASP 17 H ASP 17 -6.201 5.649 -2.690 134 HA ASP 17 HA ASP 17 -4.369 5.202 -4.686 135 HB2 ASP 17 1HB ASP 17 -6.082 6.965 -4.776 136 HB3 ASP 17 2HB ASP 17 -5.217 7.884 -3.549 137 H GLU 18 H GLU 18 -3.864 7.095 -1.720 138 HA GLU 18 HA GLU 18 -1.307 8.029 -2.197 139 HB2 GLU 18 1HB GLU 18 -2.688 8.761 -0.306 140 HB3 GLU 18 2HB GLU 18 -2.520 7.180 0.444 141 HG2 GLU 18 1HG GLU 18 -0.057 7.578 0.567 142 HG3 GLU 18 2HG GLU 18 -0.347 9.219 -0.012 143 H ILE 19 H ILE 19 -2.210 5.091 -0.410 144 HA ILE 19 HA ILE 19 0.448 4.240 0.039 145 HB ILE 19 HB ILE 19 -2.132 2.650 0.143 146 HG12 ILE 19 1HG1 ILE 19 -1.718 2.848 2.654 147 HG13 ILE 19 2HG1 ILE 19 -0.489 4.048 2.277 148 HG21 ILE 19 1HG2 ILE 19 -0.856 0.992 1.443 149 HG22 ILE 19 2HG2 ILE 19 0.622 1.907 1.141 150 HG23 ILE 19 3HG2 ILE 19 -0.240 1.158 -0.203 151 HD11 ILE 19 1HD1 ILE 19 -2.183 5.482 1.277 152 HD12 ILE 19 2HD1 ILE 19 -2.594 5.074 2.943 153 HD13 ILE 19 3HD1 ILE 19 -3.419 4.268 1.609 154 H LYS 20 H LYS 20 -1.882 3.650 -2.513 155 HA LYS 20 HA LYS 20 -0.655 1.478 -3.785 156 HB2 LYS 20 1HB LYS 20 -2.909 2.211 -4.370 157 HB3 LYS 20 2HB LYS 20 -2.287 3.739 -4.979 158 HG2 LYS 20 1HG LYS 20 -2.836 2.236 -6.806 159 HG3 LYS 20 2HG LYS 20 -1.101 2.551 -6.761 160 HD2 LYS 20 1HD LYS 20 -0.731 0.403 -5.641 161 HD3 LYS 20 2HD LYS 20 -2.469 0.090 -5.660 162 HE2 LYS 20 1HE LYS 20 -0.684 0.413 -8.077 163 HE3 LYS 20 2HE LYS 20 -1.341 -1.105 -7.467 164 HZ1 LYS 20 1HZ LYS 20 -2.876 1.163 -8.611 165 HZ2 LYS 20 2HZ LYS 20 -3.585 -0.189 -7.886 166 HZ3 LYS 20 3HZ LYS 20 -2.662 -0.370 -9.291 167 H LYS 21 H LYS 21 -0.388 4.950 -4.554 168 HA LYS 21 HA LYS 21 1.714 4.620 -6.435 169 HB2 LYS 21 1HB LYS 21 0.584 7.004 -4.981 170 HB3 LYS 21 2HB LYS 21 2.013 7.165 -5.989 171 HG2 LYS 21 1HG LYS 21 0.021 7.813 -7.210 172 HG3 LYS 21 2HG LYS 21 0.748 6.375 -7.927 173 HD2 LYS 21 1HD LYS 21 -0.922 4.964 -6.850 174 HD3 LYS 21 2HD LYS 21 -1.613 6.371 -6.040 175 HE2 LYS 21 1HE LYS 21 -1.490 5.992 -9.034 176 HE3 LYS 21 2HE LYS 21 -2.903 5.662 -8.033 177 HZ1 LYS 21 1HZ LYS 21 -2.940 7.992 -7.385 178 HZ2 LYS 21 2HZ LYS 21 -3.042 7.838 -9.066 179 HZ3 LYS 21 3HZ LYS 21 -1.587 8.307 -8.351 180 H LYS 22 H LYS 22 1.591 5.023 -3.002 181 HA LYS 22 HA LYS 22 4.268 5.801 -2.540 182 HB2 LYS 22 1HB LYS 22 2.302 5.906 -0.937 183 HB3 LYS 22 2HB LYS 22 2.501 4.179 -0.696 184 HG2 LYS 22 1HG LYS 22 4.719 4.532 0.228 185 HG3 LYS 22 2HG LYS 22 4.596 6.265 -0.096 186 HD2 LYS 22 1HD LYS 22 2.593 6.340 1.397 187 HD3 LYS 22 2HD LYS 22 2.884 4.648 1.802 188 HE2 LYS 22 1HE LYS 22 5.087 5.249 2.698 189 HE3 LYS 22 2HE LYS 22 4.788 6.940 2.297 190 HZ1 LYS 22 1HZ LYS 22 3.185 5.315 4.195 191 HZ2 LYS 22 2HZ LYS 22 2.928 6.944 3.829 192 HZ3 LYS 22 3HZ LYS 22 4.344 6.470 4.629 193 H LEU 23 H LEU 23 2.665 2.663 -2.723 194 HA LEU 23 HA LEU 23 5.014 1.114 -2.185 195 HB2 LEU 23 1HB LEU 23 2.538 0.460 -1.887 196 HB3 LEU 23 2HB LEU 23 2.527 0.160 -3.612 197 HG LEU 23 HG LEU 23 4.319 -1.272 -1.628 198 HD11 LEU 23 1HD1 LEU 23 1.967 -1.797 -1.247 199 HD12 LEU 23 2HD1 LEU 23 2.828 -3.181 -1.917 200 HD13 LEU 23 3HD1 LEU 23 1.774 -2.214 -2.949 201 HD21 LEU 23 1HD2 LEU 23 5.287 -1.265 -3.856 202 HD22 LEU 23 2HD2 LEU 23 3.765 -1.821 -4.548 203 HD23 LEU 23 3HD2 LEU 23 4.681 -2.874 -3.470 204 H GLU 24 H GLU 24 3.263 2.164 -5.040 205 HA GLU 24 HA GLU 24 4.326 0.625 -7.035 206 HB2 GLU 24 1HB GLU 24 2.478 2.218 -7.321 207 HB3 GLU 24 2HB GLU 24 3.601 3.561 -7.152 208 HG2 GLU 24 1HG GLU 24 4.734 2.874 -9.212 209 HG3 GLU 24 2HG GLU 24 3.608 1.527 -9.381 210 H LYS 25 H LYS 25 5.814 3.390 -5.456 211 HA LYS 25 HA LYS 25 8.251 2.928 -7.059 212 HB2 LYS 25 1HB LYS 25 8.717 5.372 -6.864 213 HB3 LYS 25 2HB LYS 25 7.294 4.995 -7.825 214 HG2 LYS 25 1HG LYS 25 5.853 5.561 -5.937 215 HG3 LYS 25 2HG LYS 25 7.275 5.919 -4.953 216 HD2 LYS 25 1HD LYS 25 7.873 7.752 -6.418 217 HD3 LYS 25 2HD LYS 25 6.564 7.340 -7.526 218 HE2 LYS 25 1HE LYS 25 6.219 8.252 -4.665 219 HE3 LYS 25 2HE LYS 25 5.992 9.255 -6.097 220 HZ1 LYS 25 1HZ LYS 25 3.889 8.409 -5.240 221 HZ2 LYS 25 2HZ LYS 25 4.423 6.820 -5.454 222 HZ3 LYS 25 3HZ LYS 25 4.195 7.818 -6.795 223 H CYS 26 H CYS 26 7.310 2.042 -4.306 224 HA CYS 26 HA CYS 26 8.797 3.306 -2.293 225 HB2 CYS 26 2HB CYS 26 7.108 1.663 -1.723 226 HB3 CYS 26 1HB CYS 26 7.985 0.399 -2.578 227 H GLN 27 H GLN 27 9.662 0.717 -4.524 228 HA GLN 27 HA GLN 27 12.470 1.433 -4.257 229 HB2 GLN 27 1HB GLN 27 12.148 -0.407 -2.632 230 HB3 GLN 27 2HB GLN 27 11.491 -1.421 -3.911 231 HG2 GLN 27 1HG GLN 27 13.630 -1.397 -5.061 232 HG3 GLN 27 2HG GLN 27 14.295 -0.309 -3.843 233 HE21 GLN 27 1HE2 GLN 27 13.990 -4.301 -3.131 234 HE22 GLN 27 2HE2 GLN 27 13.262 -3.567 -4.518 235 H ALA 28 H ALA 28 12.370 2.249 -6.299 236 HA ALA 28 HA ALA 28 11.316 0.578 -8.462 237 HB1 ALA 28 1HB ALA 28 12.094 3.502 -8.471 238 HB2 ALA 28 2HB ALA 28 10.457 2.869 -8.278 239 HB3 ALA 28 3HB ALA 28 11.324 2.623 -9.795 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 9.090 6.345 8.166 2 H2 ALA 1 2H ALA 1 8.603 6.308 6.547 3 H3 ALA 1 3H ALA 1 9.895 7.295 7.019 4 HA ALA 1 HA ALA 1 10.751 5.372 5.917 5 HB1 ALA 1 1HB ALA 1 12.228 4.505 7.673 6 HB2 ALA 1 2HB ALA 1 11.187 5.212 8.907 7 HB3 ALA 1 3HB ALA 1 12.063 6.258 7.788 8 H GLU 2 H GLU 2 9.606 3.757 5.043 9 HA GLU 2 HA GLU 2 8.602 1.637 6.772 10 HB2 GLU 2 1HB GLU 2 6.420 1.650 5.457 11 HB3 GLU 2 2HB GLU 2 6.631 2.924 6.647 12 HG2 GLU 2 1HG GLU 2 7.092 3.264 3.683 13 HG3 GLU 2 2HG GLU 2 5.599 3.678 4.520 14 H ASP 3 H ASP 3 8.806 -0.309 5.931 15 HA ASP 3 HA ASP 3 10.403 -0.673 3.598 16 HB2 ASP 3 1HB ASP 3 9.071 -2.565 5.535 17 HB3 ASP 3 2HB ASP 3 9.989 -3.144 4.155 18 H CYS 4 H CYS 4 9.850 -2.263 1.875 19 HA CYS 4 HA CYS 4 7.460 -1.445 0.575 20 HB2 CYS 4 2HB CYS 4 9.670 -2.180 -0.507 21 HB3 CYS 4 1HB CYS 4 9.115 -3.830 -0.252 22 H GLU 5 H GLU 5 8.424 -4.451 2.212 23 HA GLU 5 HA GLU 5 6.068 -5.917 1.777 24 HB2 GLU 5 1HB GLU 5 8.008 -6.992 2.756 25 HB3 GLU 5 2HB GLU 5 7.961 -5.910 4.141 26 HG2 GLU 5 1HG GLU 5 5.714 -6.882 4.706 27 HG3 GLU 5 2HG GLU 5 5.989 -8.074 3.440 28 H ARG 6 H ARG 6 6.918 -3.483 4.137 29 HA ARG 6 HA ARG 6 4.625 -3.708 5.773 30 HB2 ARG 6 1HB ARG 6 6.583 -1.439 5.354 31 HB3 ARG 6 2HB ARG 6 5.353 -1.451 6.604 32 HG2 ARG 6 1HG ARG 6 7.552 -3.495 6.330 33 HG3 ARG 6 2HG ARG 6 7.574 -2.121 7.436 34 HD2 ARG 6 1HD ARG 6 5.471 -4.289 7.452 35 HD3 ARG 6 2HD ARG 6 6.892 -4.279 8.494 36 HE ARG 6 HE ARG 6 6.026 -2.318 9.577 37 HH11 ARG 6 1HH1 ARG 6 3.770 -3.925 7.431 38 HH12 ARG 6 2HH1 ARG 6 2.373 -3.190 8.147 39 HH21 ARG 6 1HH2 ARG 6 4.195 -1.431 10.565 40 HH22 ARG 6 2HH2 ARG 6 2.610 -1.840 9.986 41 H ILE 7 H ILE 7 5.468 -1.279 3.280 42 HA ILE 7 HA ILE 7 3.032 0.061 3.192 43 HB ILE 7 HB ILE 7 4.924 -0.481 0.879 44 HG12 ILE 7 1HG1 ILE 7 4.761 1.879 2.782 45 HG13 ILE 7 2HG1 ILE 7 6.010 0.638 2.794 46 HG21 ILE 7 1HG2 ILE 7 3.936 1.525 -0.150 47 HG22 ILE 7 2HG2 ILE 7 2.773 1.626 1.173 48 HG23 ILE 7 3HG2 ILE 7 2.742 0.245 0.073 49 HD11 ILE 7 1HD1 ILE 7 6.805 2.670 1.738 50 HD12 ILE 7 2HD1 ILE 7 5.487 2.597 0.566 51 HD13 ILE 7 3HD1 ILE 7 6.735 1.349 0.574 52 H ARG 8 H ARG 8 4.076 -2.847 1.488 53 HA ARG 8 HA ARG 8 1.818 -3.304 -0.110 54 HB2 ARG 8 1HB ARG 8 3.981 -4.523 -0.294 55 HB3 ARG 8 2HB ARG 8 3.625 -5.346 1.215 56 HG2 ARG 8 1HG ARG 8 3.111 -6.842 -0.564 57 HG3 ARG 8 2HG ARG 8 1.589 -6.301 0.140 58 HD2 ARG 8 1HD ARG 8 1.353 -4.653 -1.683 59 HD3 ARG 8 2HD ARG 8 2.848 -5.257 -2.403 60 HE ARG 8 HE ARG 8 0.441 -6.932 -2.041 61 HH11 ARG 8 1HH1 ARG 8 3.161 -5.876 -3.979 62 HH12 ARG 8 2HH1 ARG 8 2.761 -6.904 -5.320 63 HH21 ARG 8 1HH2 ARG 8 -0.078 -8.293 -3.794 64 HH22 ARG 8 2HH2 ARG 8 0.922 -8.280 -5.216 65 H LYS 9 H LYS 9 2.635 -4.340 3.140 66 HA LYS 9 HA LYS 9 0.381 -5.917 3.678 67 HB2 LYS 9 1HB LYS 9 2.498 -5.923 4.985 68 HB3 LYS 9 2HB LYS 9 2.084 -4.343 5.630 69 HG2 LYS 9 1HG LYS 9 0.215 -5.247 6.829 70 HG3 LYS 9 2HG LYS 9 0.422 -6.824 6.053 71 HD2 LYS 9 1HD LYS 9 2.637 -7.046 7.116 72 HD3 LYS 9 2HD LYS 9 2.409 -5.482 7.901 73 HE2 LYS 9 1HE LYS 9 0.535 -6.341 9.163 74 HE3 LYS 9 2HE LYS 9 0.618 -7.879 8.300 75 HZ1 LYS 9 1HZ LYS 9 1.648 -7.956 10.506 76 HZ2 LYS 9 2HZ LYS 9 2.772 -6.792 10.027 77 HZ3 LYS 9 3HZ LYS 9 2.753 -8.309 9.276 78 H GLU 10 H GLU 10 1.015 -2.482 4.317 79 HA GLU 10 HA GLU 10 -1.530 -1.990 5.489 80 HB2 GLU 10 1HB GLU 10 0.719 -0.270 4.531 81 HB3 GLU 10 2HB GLU 10 -0.847 0.479 4.802 82 HG2 GLU 10 1HG GLU 10 0.419 0.773 6.777 83 HG3 GLU 10 2HG GLU 10 -0.805 -0.440 7.127 84 H LEU 11 H LEU 11 -0.373 -2.073 2.199 85 HA LEU 11 HA LEU 11 -2.596 -0.703 1.030 86 HB2 LEU 11 1HB LEU 11 -0.216 -1.521 0.037 87 HB3 LEU 11 2HB LEU 11 -1.210 -2.854 -0.512 88 HG LEU 11 HG LEU 11 -1.394 0.053 -1.283 89 HD11 LEU 11 1HD1 LEU 11 -1.111 -2.478 -2.895 90 HD12 LEU 11 2HD1 LEU 11 0.153 -1.294 -2.555 91 HD13 LEU 11 3HD1 LEU 11 -1.229 -0.844 -3.554 92 HD21 LEU 11 1HD2 LEU 11 -3.670 -0.608 -0.820 93 HD22 LEU 11 2HD2 LEU 11 -3.481 -2.067 -1.795 94 HD23 LEU 11 3HD2 LEU 11 -3.427 -0.478 -2.561 95 H GLU 12 H GLU 12 -1.754 -4.086 1.569 96 HA GLU 12 HA GLU 12 -4.143 -5.209 0.549 97 HB2 GLU 12 1HB GLU 12 -1.920 -6.368 0.895 98 HB3 GLU 12 2HB GLU 12 -2.271 -6.390 2.616 99 HG2 GLU 12 1HG GLU 12 -4.226 -7.771 2.227 100 HG3 GLU 12 2HG GLU 12 -3.955 -7.701 0.487 101 H LYS 13 H LYS 13 -3.241 -3.765 3.549 102 HA LYS 13 HA LYS 13 -5.481 -4.623 5.098 103 HB2 LYS 13 1HB LYS 13 -3.553 -3.784 6.254 104 HB3 LYS 13 2HB LYS 13 -3.555 -2.298 5.320 105 HG2 LYS 13 1HG LYS 13 -4.334 -1.776 7.505 106 HG3 LYS 13 2HG LYS 13 -5.721 -1.693 6.418 107 HD2 LYS 13 1HD LYS 13 -6.362 -2.801 8.476 108 HD3 LYS 13 2HD LYS 13 -6.388 -3.962 7.148 109 HE2 LYS 13 1HE LYS 13 -4.296 -4.908 7.851 110 HE3 LYS 13 2HE LYS 13 -4.067 -3.641 9.055 111 HZ1 LYS 13 1HZ LYS 13 -6.281 -5.616 9.096 112 HZ2 LYS 13 2HZ LYS 13 -5.923 -4.474 10.292 113 HZ3 LYS 13 3HZ LYS 13 -4.859 -5.750 9.996 114 H ASN 14 H ASN 14 -4.727 -1.633 3.310 115 HA ASN 14 HA ASN 14 -7.597 -1.074 3.059 116 HB2 ASN 14 1HB ASN 14 -6.804 0.198 5.007 117 HB3 ASN 14 2HB ASN 14 -5.518 0.908 4.036 118 HD21 ASN 14 1HD2 ASN 14 -7.656 3.636 3.704 119 HD22 ASN 14 2HD2 ASN 14 -6.226 2.991 4.428 120 HA PRO 15 HA PRO 15 -5.693 -0.625 -1.097 121 HB2 PRO 15 2HB PRO 15 -8.565 -0.806 -1.842 122 HB3 PRO 15 1HB PRO 15 -7.186 -1.723 -2.456 123 HG2 PRO 15 2HG PRO 15 -8.977 -2.857 -0.828 124 HG3 PRO 15 1HG PRO 15 -7.247 -3.246 -0.702 125 HD2 PRO 15 2HD PRO 15 -8.913 -1.426 1.008 126 HD3 PRO 15 1HD PRO 15 -7.652 -2.584 1.489 127 H ASN 16 H ASN 16 -5.130 1.449 -1.471 128 HA ASN 16 HA ASN 16 -7.163 3.471 -1.933 129 HB2 ASN 16 1HB ASN 16 -6.843 3.536 0.527 130 HB3 ASN 16 2HB ASN 16 -5.123 3.792 0.294 131 HD21 ASN 16 1HD2 ASN 16 -7.039 6.986 0.928 132 HD22 ASN 16 2HD2 ASN 16 -7.109 5.427 1.673 133 H ASP 17 H ASP 17 -6.410 5.195 -3.131 134 HA ASP 17 HA ASP 17 -4.451 4.744 -5.018 135 HB2 ASP 17 1HB ASP 17 -5.393 7.454 -4.036 136 HB3 ASP 17 2HB ASP 17 -4.644 7.116 -5.592 137 H GLU 18 H GLU 18 -4.226 6.563 -1.998 138 HA GLU 18 HA GLU 18 -1.735 7.717 -2.300 139 HB2 GLU 18 1HB GLU 18 -3.595 7.338 -0.174 140 HB3 GLU 18 2HB GLU 18 -2.020 6.857 0.435 141 HG2 GLU 18 1HG GLU 18 -2.710 9.519 -0.805 142 HG3 GLU 18 2HG GLU 18 -2.471 9.195 0.910 143 H ILE 19 H ILE 19 -2.446 4.577 -0.745 144 HA ILE 19 HA ILE 19 0.302 3.990 -0.278 145 HB ILE 19 HB ILE 19 -1.990 1.996 -0.344 146 HG12 ILE 19 1HG1 ILE 19 -1.887 2.198 2.174 147 HG13 ILE 19 2HG1 ILE 19 -0.870 3.617 1.965 148 HG21 ILE 19 1HG2 ILE 19 -0.506 0.634 1.084 149 HG22 ILE 19 2HG2 ILE 19 0.765 1.843 0.899 150 HG23 ILE 19 3HG2 ILE 19 0.193 0.941 -0.504 151 HD11 ILE 19 1HD1 ILE 19 -2.706 4.752 0.827 152 HD12 ILE 19 2HD1 ILE 19 -3.176 4.215 2.437 153 HD13 ILE 19 3HD1 ILE 19 -3.711 3.317 1.016 154 H LYS 20 H LYS 20 -2.024 3.097 -2.772 155 HA LYS 20 HA LYS 20 -0.571 1.249 -4.251 156 HB2 LYS 20 1HB LYS 20 -2.538 3.381 -5.084 157 HB3 LYS 20 2HB LYS 20 -1.848 2.258 -6.245 158 HG2 LYS 20 1HG LYS 20 -2.885 0.393 -5.166 159 HG3 LYS 20 2HG LYS 20 -3.400 1.399 -3.807 160 HD2 LYS 20 1HD LYS 20 -4.909 2.634 -5.210 161 HD3 LYS 20 2HD LYS 20 -4.279 1.854 -6.660 162 HE2 LYS 20 1HE LYS 20 -5.658 0.357 -4.433 163 HE3 LYS 20 2HE LYS 20 -6.504 0.997 -5.843 164 HZ1 LYS 20 1HZ LYS 20 -4.319 -1.015 -5.878 165 HZ2 LYS 20 2HZ LYS 20 -5.059 -0.365 -7.250 166 HZ3 LYS 20 3HZ LYS 20 -5.958 -1.306 -6.177 167 H LYS 21 H LYS 21 -0.449 4.766 -4.299 168 HA LYS 21 HA LYS 21 1.455 4.886 -6.454 169 HB2 LYS 21 1HB LYS 21 -0.388 6.608 -5.702 170 HB3 LYS 21 2HB LYS 21 0.854 7.182 -4.605 171 HG2 LYS 21 1HG LYS 21 1.235 6.977 -7.587 172 HG3 LYS 21 2HG LYS 21 0.645 8.425 -6.775 173 HD2 LYS 21 1HD LYS 21 2.728 8.538 -5.475 174 HD3 LYS 21 2HD LYS 21 3.314 7.088 -6.291 175 HE2 LYS 21 1HE LYS 21 2.653 9.727 -7.608 176 HE3 LYS 21 2HE LYS 21 4.273 9.110 -7.283 177 HZ1 LYS 21 1HZ LYS 21 2.272 7.894 -9.114 178 HZ2 LYS 21 2HZ LYS 21 3.792 7.239 -8.768 179 HZ3 LYS 21 3HZ LYS 21 3.672 8.724 -9.568 180 H LYS 22 H LYS 22 1.526 5.074 -2.933 181 HA LYS 22 HA LYS 22 4.230 5.983 -2.779 182 HB2 LYS 22 1HB LYS 22 2.378 4.804 -0.708 183 HB3 LYS 22 2HB LYS 22 4.002 5.368 -0.338 184 HG2 LYS 22 1HG LYS 22 1.751 7.049 -1.442 185 HG3 LYS 22 2HG LYS 22 2.341 7.059 0.222 186 HD2 LYS 22 1HD LYS 22 4.529 7.846 -0.556 187 HD3 LYS 22 2HD LYS 22 3.958 7.814 -2.224 188 HE2 LYS 22 1HE LYS 22 3.920 10.080 -1.304 189 HE3 LYS 22 2HE LYS 22 2.298 9.521 -1.707 190 HZ1 LYS 22 1HZ LYS 22 2.470 10.675 0.456 191 HZ2 LYS 22 2HZ LYS 22 3.449 9.421 1.023 192 HZ3 LYS 22 3HZ LYS 22 1.847 9.110 0.576 193 H LEU 23 H LEU 23 2.787 2.857 -3.132 194 HA LEU 23 HA LEU 23 4.810 1.270 -1.995 195 HB2 LEU 23 1HB LEU 23 2.419 0.726 -3.161 196 HB3 LEU 23 2HB LEU 23 3.493 0.246 -4.458 197 HG LEU 23 HG LEU 23 3.418 -0.885 -1.653 198 HD11 LEU 23 1HD1 LEU 23 1.630 -1.680 -3.092 199 HD12 LEU 23 2HD1 LEU 23 2.790 -2.964 -2.767 200 HD13 LEU 23 3HD1 LEU 23 2.803 -2.138 -4.328 201 HD21 LEU 23 1HD2 LEU 23 5.737 -0.792 -2.397 202 HD22 LEU 23 2HD2 LEU 23 5.301 -1.599 -3.904 203 HD23 LEU 23 3HD2 LEU 23 5.154 -2.456 -2.369 204 H GLU 24 H GLU 24 4.594 2.967 -5.029 205 HA GLU 24 HA GLU 24 6.493 1.609 -6.554 206 HB2 GLU 24 1HB GLU 24 6.023 4.593 -6.581 207 HB3 GLU 24 2HB GLU 24 6.641 3.607 -7.899 208 HG2 GLU 24 1HG GLU 24 4.504 2.514 -8.144 209 HG3 GLU 24 2HG GLU 24 3.870 3.365 -6.734 210 H LYS 25 H LYS 25 6.907 4.086 -4.082 211 HA LYS 25 HA LYS 25 9.732 4.396 -4.695 212 HB2 LYS 25 1HB LYS 25 9.729 6.228 -3.154 213 HB3 LYS 25 2HB LYS 25 8.275 6.355 -4.126 214 HG2 LYS 25 1HG LYS 25 7.383 6.796 -2.083 215 HG3 LYS 25 2HG LYS 25 7.219 5.042 -2.072 216 HD2 LYS 25 1HD LYS 25 9.382 4.901 -0.833 217 HD3 LYS 25 2HD LYS 25 9.417 6.663 -0.768 218 HE2 LYS 25 1HE LYS 25 7.315 6.651 0.497 219 HE3 LYS 25 2HE LYS 25 7.281 4.890 0.426 220 HZ1 LYS 25 1HZ LYS 25 9.431 4.903 1.632 221 HZ2 LYS 25 2HZ LYS 25 8.155 5.552 2.523 222 HZ3 LYS 25 3HZ LYS 25 9.290 6.580 1.814 223 H CYS 26 H CYS 26 8.044 2.134 -3.056 224 HA CYS 26 HA CYS 26 9.136 1.983 -0.495 225 HB2 CYS 26 2HB CYS 26 8.417 -0.307 -0.449 226 HB3 CYS 26 1HB CYS 26 7.225 0.605 -1.367 227 H GLN 27 H GLN 27 10.196 0.239 -3.410 228 HA GLN 27 HA GLN 27 12.823 -0.185 -2.205 229 HB2 GLN 27 1HB GLN 27 11.680 -2.052 -3.426 230 HB3 GLN 27 2HB GLN 27 11.761 -1.095 -4.898 231 HG2 GLN 27 1HG GLN 27 13.523 -2.731 -4.893 232 HG3 GLN 27 2HG GLN 27 14.217 -1.114 -4.755 233 HE21 GLN 27 1HE2 GLN 27 14.689 -3.843 -1.792 234 HE22 GLN 27 2HE2 GLN 27 13.647 -4.132 -3.141 235 H ALA 28 H ALA 28 13.780 1.786 -2.233 236 HA ALA 28 HA ALA 28 13.531 3.684 -4.321 237 HB1 ALA 28 1HB ALA 28 15.293 4.913 -3.163 238 HB2 ALA 28 2HB ALA 28 15.647 3.496 -2.174 239 HB3 ALA 28 3HB ALA 28 14.092 4.313 -2.021 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 9.911 -0.669 10.898 2 H2 ALA 1 2H ALA 1 9.032 0.717 11.297 3 H3 ALA 1 3H ALA 1 10.677 0.625 11.674 4 HA ALA 1 HA ALA 1 10.294 2.030 9.755 5 HB1 ALA 1 1HB ALA 1 11.933 0.985 8.273 6 HB2 ALA 1 2HB ALA 1 11.696 -0.563 9.086 7 HB3 ALA 1 3HB ALA 1 12.406 0.792 9.962 8 H GLU 2 H GLU 2 9.191 2.423 7.903 9 HA GLU 2 HA GLU 2 7.213 0.433 7.117 10 HB2 GLU 2 1HB GLU 2 7.493 3.317 6.235 11 HB3 GLU 2 2HB GLU 2 6.138 2.250 5.883 12 HG2 GLU 2 1HG GLU 2 5.762 2.053 8.356 13 HG3 GLU 2 2HG GLU 2 6.977 3.310 8.577 14 H ASP 3 H ASP 3 8.592 -1.009 6.109 15 HA ASP 3 HA ASP 3 10.123 -0.230 3.775 16 HB2 ASP 3 1HB ASP 3 10.677 -2.643 3.662 17 HB3 ASP 3 2HB ASP 3 10.996 -1.968 5.258 18 H CYS 4 H CYS 4 9.770 -2.264 1.994 19 HA CYS 4 HA CYS 4 7.434 -1.406 0.627 20 HB2 CYS 4 2HB CYS 4 9.410 -3.606 0.031 21 HB3 CYS 4 1HB CYS 4 8.073 -3.191 -1.041 22 H GLU 5 H GLU 5 8.198 -4.387 2.415 23 HA GLU 5 HA GLU 5 5.780 -5.727 1.707 24 HB2 GLU 5 1HB GLU 5 7.743 -6.926 2.621 25 HB3 GLU 5 2HB GLU 5 7.543 -6.091 4.153 26 HG2 GLU 5 1HG GLU 5 6.685 -8.351 4.294 27 HG3 GLU 5 2HG GLU 5 5.376 -7.182 4.469 28 H ARG 6 H ARG 6 6.794 -3.616 4.311 29 HA ARG 6 HA ARG 6 4.553 -3.624 5.951 30 HB2 ARG 6 1HB ARG 6 6.849 -2.399 6.172 31 HB3 ARG 6 2HB ARG 6 6.061 -1.089 5.306 32 HG2 ARG 6 1HG ARG 6 5.920 -0.584 7.616 33 HG3 ARG 6 2HG ARG 6 4.305 -1.087 7.108 34 HD2 ARG 6 1HD ARG 6 5.048 -2.061 9.288 35 HD3 ARG 6 2HD ARG 6 4.606 -3.263 8.073 36 HE ARG 6 HE ARG 6 7.430 -2.579 8.195 37 HH11 ARG 6 1HH1 ARG 6 4.905 -4.744 9.283 38 HH12 ARG 6 2HH1 ARG 6 5.998 -6.037 9.653 39 HH21 ARG 6 1HH2 ARG 6 8.874 -4.273 8.665 40 HH22 ARG 6 2HH2 ARG 6 8.267 -5.775 9.293 41 H ILE 7 H ILE 7 5.308 -1.216 3.446 42 HA ILE 7 HA ILE 7 2.809 0.054 3.466 43 HB ILE 7 HB ILE 7 4.886 -0.034 1.262 44 HG12 ILE 7 1HG1 ILE 7 4.399 1.986 3.475 45 HG13 ILE 7 2HG1 ILE 7 5.731 0.841 3.408 46 HG21 ILE 7 1HG2 ILE 7 2.725 0.675 0.376 47 HG22 ILE 7 2HG2 ILE 7 3.837 2.040 0.442 48 HG23 ILE 7 3HG2 ILE 7 2.573 1.874 1.662 49 HD11 ILE 7 1HD1 ILE 7 5.244 3.108 1.490 50 HD12 ILE 7 2HD1 ILE 7 6.572 1.951 1.400 51 HD13 ILE 7 3HD1 ILE 7 6.454 3.054 2.769 52 H ARG 8 H ARG 8 4.043 -2.623 1.500 53 HA ARG 8 HA ARG 8 1.933 -2.743 -0.353 54 HB2 ARG 8 1HB ARG 8 4.142 -4.040 -0.457 55 HB3 ARG 8 2HB ARG 8 3.412 -5.174 0.676 56 HG2 ARG 8 1HG ARG 8 1.482 -5.080 -1.220 57 HG3 ARG 8 2HG ARG 8 2.908 -4.776 -2.210 58 HD2 ARG 8 1HD ARG 8 2.654 -7.099 -2.260 59 HD3 ARG 8 2HD ARG 8 3.912 -6.839 -1.052 60 HE ARG 8 HE ARG 8 1.337 -6.928 0.154 61 HH11 ARG 8 1HH1 ARG 8 3.802 -8.996 -1.220 62 HH12 ARG 8 2HH1 ARG 8 3.329 -10.388 -0.301 63 HH21 ARG 8 1HH2 ARG 8 0.671 -8.794 1.324 64 HH22 ARG 8 2HH2 ARG 8 1.555 -10.273 1.126 65 H LYS 9 H LYS 9 2.415 -4.294 2.785 66 HA LYS 9 HA LYS 9 -0.014 -5.790 2.644 67 HB2 LYS 9 1HB LYS 9 2.057 -6.425 3.973 68 HB3 LYS 9 2HB LYS 9 1.579 -5.201 5.144 69 HG2 LYS 9 1HG LYS 9 -0.477 -6.360 5.605 70 HG3 LYS 9 2HG LYS 9 -0.158 -7.518 4.309 71 HD2 LYS 9 1HD LYS 9 1.952 -8.144 5.592 72 HD3 LYS 9 2HD LYS 9 1.285 -7.215 6.940 73 HE2 LYS 9 1HE LYS 9 0.776 -9.611 7.133 74 HE3 LYS 9 2HE LYS 9 -0.689 -8.642 6.969 75 HZ1 LYS 9 1HZ LYS 9 0.640 -10.112 4.756 76 HZ2 LYS 9 2HZ LYS 9 -0.808 -9.244 4.645 77 HZ3 LYS 9 3HZ LYS 9 -0.731 -10.647 5.588 78 H GLU 10 H GLU 10 0.888 -2.628 3.840 79 HA GLU 10 HA GLU 10 -1.598 -2.252 5.243 80 HB2 GLU 10 1HB GLU 10 0.609 -0.331 4.491 81 HB3 GLU 10 2HB GLU 10 -0.845 0.161 5.355 82 HG2 GLU 10 1HG GLU 10 -0.288 -1.548 7.102 83 HG3 GLU 10 2HG GLU 10 1.248 -1.802 6.277 84 H LEU 11 H LEU 11 -0.486 -1.839 1.980 85 HA LEU 11 HA LEU 11 -2.839 -0.423 1.100 86 HB2 LEU 11 1HB LEU 11 -0.747 -0.393 -0.211 87 HB3 LEU 11 2HB LEU 11 -0.865 -2.125 -0.446 88 HG LEU 11 HG LEU 11 -2.944 -1.794 -1.754 89 HD11 LEU 11 1HD1 LEU 11 -3.582 0.453 -2.477 90 HD12 LEU 11 2HD1 LEU 11 -2.351 1.147 -1.422 91 HD13 LEU 11 3HD1 LEU 11 -3.720 0.276 -0.727 92 HD21 LEU 11 1HD2 LEU 11 -1.887 -0.865 -3.741 93 HD22 LEU 11 2HD2 LEU 11 -0.782 -1.936 -2.885 94 HD23 LEU 11 3HD2 LEU 11 -0.593 -0.191 -2.754 95 H GLU 12 H GLU 12 -1.713 -3.736 1.210 96 HA GLU 12 HA GLU 12 -3.926 -5.119 0.225 97 HB2 GLU 12 1HB GLU 12 -1.771 -6.166 0.640 98 HB3 GLU 12 2HB GLU 12 -1.885 -5.810 2.354 99 HG2 GLU 12 1HG GLU 12 -3.855 -7.353 2.457 100 HG3 GLU 12 2HG GLU 12 -3.504 -7.807 0.788 101 H LYS 13 H LYS 13 -3.230 -3.728 3.350 102 HA LYS 13 HA LYS 13 -5.566 -4.807 4.652 103 HB2 LYS 13 1HB LYS 13 -3.532 -4.428 5.933 104 HB3 LYS 13 2HB LYS 13 -3.530 -2.728 5.487 105 HG2 LYS 13 1HG LYS 13 -5.647 -2.434 6.743 106 HG3 LYS 13 2HG LYS 13 -5.541 -4.118 7.259 107 HD2 LYS 13 1HD LYS 13 -3.425 -3.664 8.386 108 HD3 LYS 13 2HD LYS 13 -3.460 -1.994 7.815 109 HE2 LYS 13 1HE LYS 13 -5.501 -3.261 9.650 110 HE3 LYS 13 2HE LYS 13 -4.192 -2.191 10.156 111 HZ1 LYS 13 1HZ LYS 13 -6.328 -1.040 9.919 112 HZ2 LYS 13 2HZ LYS 13 -6.363 -1.424 8.272 113 HZ3 LYS 13 3HZ LYS 13 -5.153 -0.409 8.881 114 H ASN 14 H ASN 14 -4.496 -1.632 3.466 115 HA ASN 14 HA ASN 14 -7.285 -0.676 3.638 116 HB2 ASN 14 1HB ASN 14 -4.973 1.234 3.917 117 HB3 ASN 14 2HB ASN 14 -6.633 1.409 4.475 118 HD21 ASN 14 1HD2 ASN 14 -3.783 -0.230 6.823 119 HD22 ASN 14 2HD2 ASN 14 -3.489 0.208 5.178 120 HA PRO 15 HA PRO 15 -6.030 -0.396 -0.780 121 HB2 PRO 15 2HB PRO 15 -8.977 -0.270 -1.108 122 HB3 PRO 15 1HB PRO 15 -7.801 -1.334 -1.890 123 HG2 PRO 15 2HG PRO 15 -9.474 -2.251 -0.008 124 HG3 PRO 15 1HG PRO 15 -7.811 -2.854 -0.141 125 HD2 PRO 15 2HD PRO 15 -8.960 -0.860 1.790 126 HD3 PRO 15 1HD PRO 15 -7.797 -2.173 2.082 127 H ASN 16 H ASN 16 -5.204 1.682 -0.506 128 HA ASN 16 HA ASN 16 -7.097 3.866 -1.067 129 HB2 ASN 16 1HB ASN 16 -6.596 4.013 1.314 130 HB3 ASN 16 2HB ASN 16 -4.869 3.916 0.993 131 HD21 ASN 16 1HD2 ASN 16 -4.945 7.391 1.362 132 HD22 ASN 16 2HD2 ASN 16 -4.530 5.868 2.071 133 H ASP 17 H ASP 17 -6.392 5.328 -2.538 134 HA ASP 17 HA ASP 17 -4.509 4.506 -4.424 135 HB2 ASP 17 1HB ASP 17 -5.708 7.247 -3.958 136 HB3 ASP 17 2HB ASP 17 -4.778 6.808 -5.386 137 H GLU 18 H GLU 18 -4.199 6.877 -1.815 138 HA GLU 18 HA GLU 18 -1.670 7.878 -2.421 139 HB2 GLU 18 1HB GLU 18 -3.244 7.587 0.114 140 HB3 GLU 18 2HB GLU 18 -1.567 8.098 0.214 141 HG2 GLU 18 1HG GLU 18 -3.386 9.900 0.133 142 HG3 GLU 18 2HG GLU 18 -1.970 10.099 -0.899 143 H ILE 19 H ILE 19 -2.541 5.028 -0.476 144 HA ILE 19 HA ILE 19 0.143 4.354 0.195 145 HB ILE 19 HB ILE 19 -2.240 2.475 0.078 146 HG12 ILE 19 1HG1 ILE 19 -2.764 4.439 1.466 147 HG13 ILE 19 2HG1 ILE 19 -2.578 3.001 2.462 148 HG21 ILE 19 1HG2 ILE 19 -0.114 1.317 0.269 149 HG22 ILE 19 2HG2 ILE 19 -0.995 1.209 1.791 150 HG23 ILE 19 3HG2 ILE 19 0.354 2.337 1.631 151 HD11 ILE 19 1HD1 ILE 19 -1.548 4.935 3.503 152 HD12 ILE 19 2HD1 ILE 19 -0.525 5.173 2.087 153 HD13 ILE 19 3HD1 ILE 19 -0.328 3.733 3.085 154 H LYS 20 H LYS 20 -2.093 3.362 -2.341 155 HA LYS 20 HA LYS 20 -0.552 1.442 -3.658 156 HB2 LYS 20 1HB LYS 20 -2.899 1.837 -4.191 157 HB3 LYS 20 2HB LYS 20 -2.534 3.457 -4.761 158 HG2 LYS 20 1HG LYS 20 -2.892 2.033 -6.654 159 HG3 LYS 20 2HG LYS 20 -1.184 2.468 -6.592 160 HD2 LYS 20 1HD LYS 20 -0.625 0.302 -5.662 161 HD3 LYS 20 2HD LYS 20 -2.332 -0.130 -5.553 162 HE2 LYS 20 1HE LYS 20 -2.505 0.016 -8.009 163 HE3 LYS 20 2HE LYS 20 -0.787 0.406 -8.095 164 HZ1 LYS 20 1HZ LYS 20 -1.178 -1.927 -8.538 165 HZ2 LYS 20 2HZ LYS 20 -1.941 -2.122 -7.045 166 HZ3 LYS 20 3HZ LYS 20 -0.293 -1.747 -7.109 167 H LYS 21 H LYS 21 -0.480 4.944 -3.741 168 HA LYS 21 HA LYS 21 1.357 5.112 -5.964 169 HB2 LYS 21 1HB LYS 21 -0.392 6.820 -5.561 170 HB3 LYS 21 2HB LYS 21 0.380 7.243 -4.041 171 HG2 LYS 21 1HG LYS 21 0.908 8.865 -5.764 172 HG3 LYS 21 2HG LYS 21 2.360 8.012 -5.250 173 HD2 LYS 21 1HD LYS 21 2.236 8.332 -7.704 174 HD3 LYS 21 2HD LYS 21 2.317 6.635 -7.235 175 HE2 LYS 21 1HE LYS 21 0.681 7.101 -9.056 176 HE3 LYS 21 2HE LYS 21 -0.036 6.350 -7.634 177 HZ1 LYS 21 1HZ LYS 21 -1.303 8.247 -8.652 178 HZ2 LYS 21 2HZ LYS 21 -0.089 9.279 -8.079 179 HZ3 LYS 21 3HZ LYS 21 -1.010 8.373 -6.991 180 H LYS 22 H LYS 22 1.516 5.156 -2.472 181 HA LYS 22 HA LYS 22 4.245 6.085 -2.396 182 HB2 LYS 22 1HB LYS 22 2.312 5.130 -0.295 183 HB3 LYS 22 2HB LYS 22 4.009 5.404 0.087 184 HG2 LYS 22 1HG LYS 22 2.144 7.477 -1.076 185 HG3 LYS 22 2HG LYS 22 2.583 7.342 0.631 186 HD2 LYS 22 1HD LYS 22 4.886 7.826 0.153 187 HD3 LYS 22 2HD LYS 22 4.608 7.712 -1.585 188 HE2 LYS 22 1HE LYS 22 3.389 9.791 0.231 189 HE3 LYS 22 2HE LYS 22 4.807 10.040 -0.784 190 HZ1 LYS 22 1HZ LYS 22 3.389 9.482 -2.717 191 HZ2 LYS 22 2HZ LYS 22 2.914 10.890 -1.916 192 HZ3 LYS 22 3HZ LYS 22 2.043 9.462 -1.693 193 H LEU 23 H LEU 23 2.655 3.036 -2.649 194 HA LEU 23 HA LEU 23 4.688 1.327 -1.749 195 HB2 LEU 23 1HB LEU 23 2.271 0.808 -2.544 196 HB3 LEU 23 2HB LEU 23 2.960 0.736 -4.152 197 HG LEU 23 HG LEU 23 3.919 -1.012 -1.874 198 HD11 LEU 23 1HD1 LEU 23 2.562 -2.806 -2.863 199 HD12 LEU 23 2HD1 LEU 23 1.853 -1.643 -3.984 200 HD13 LEU 23 3HD1 LEU 23 1.570 -1.481 -2.251 201 HD21 LEU 23 1HD2 LEU 23 5.514 -0.797 -3.700 202 HD22 LEU 23 2HD2 LEU 23 4.267 -1.231 -4.870 203 HD23 LEU 23 3HD2 LEU 23 4.817 -2.414 -3.683 204 H GLU 24 H GLU 24 4.199 3.066 -4.752 205 HA GLU 24 HA GLU 24 6.247 1.992 -6.328 206 HB2 GLU 24 1HB GLU 24 5.256 4.858 -6.266 207 HB3 GLU 24 2HB GLU 24 6.118 4.093 -7.593 208 HG2 GLU 24 1HG GLU 24 3.402 3.244 -6.596 209 HG3 GLU 24 2HG GLU 24 3.683 4.311 -7.970 210 H LYS 25 H LYS 25 6.360 4.088 -3.598 211 HA LYS 25 HA LYS 25 9.177 4.778 -4.126 212 HB2 LYS 25 1HB LYS 25 7.568 6.687 -4.170 213 HB3 LYS 25 2HB LYS 25 7.131 6.325 -2.507 214 HG2 LYS 25 1HG LYS 25 9.373 6.865 -1.765 215 HG3 LYS 25 2HG LYS 25 9.892 7.117 -3.433 216 HD2 LYS 25 1HD LYS 25 8.386 9.000 -3.661 217 HD3 LYS 25 2HD LYS 25 7.723 8.710 -2.052 218 HE2 LYS 25 1HE LYS 25 9.822 9.283 -1.023 219 HE3 LYS 25 2HE LYS 25 10.616 9.386 -2.596 220 HZ1 LYS 25 1HZ LYS 25 8.349 11.129 -1.811 221 HZ2 LYS 25 2HZ LYS 25 9.386 11.310 -3.137 222 HZ3 LYS 25 3HZ LYS 25 9.969 11.554 -1.569 223 H CYS 26 H CYS 26 7.713 2.495 -2.636 224 HA CYS 26 HA CYS 26 8.248 2.733 0.123 225 HB2 CYS 26 2HB CYS 26 7.964 0.328 0.214 226 HB3 CYS 26 1HB CYS 26 6.787 0.988 -0.918 227 H GLN 27 H GLN 27 10.217 1.950 -2.607 228 HA GLN 27 HA GLN 27 12.555 1.491 -0.876 229 HB2 GLN 27 1HB GLN 27 13.404 0.001 -2.739 230 HB3 GLN 27 2HB GLN 27 12.014 -0.622 -1.859 231 HG2 GLN 27 1HG GLN 27 10.575 0.329 -3.714 232 HG3 GLN 27 2HG GLN 27 12.069 0.595 -4.608 233 HE21 GLN 27 1HE2 GLN 27 10.494 -3.123 -4.214 234 HE22 GLN 27 2HE2 GLN 27 9.889 -1.779 -3.310 235 H ALA 28 H ALA 28 13.692 3.312 -0.990 236 HA ALA 28 HA ALA 28 13.712 4.972 -3.348 237 HB1 ALA 28 1HB ALA 28 15.277 5.242 -0.772 238 HB2 ALA 28 2HB ALA 28 13.707 5.974 -1.104 239 HB3 ALA 28 3HB ALA 28 15.124 6.467 -2.031 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 11.621 6.412 0.861 2 H2 ALA 1 2H ALA 1 12.717 5.165 0.554 3 H3 ALA 1 3H ALA 1 12.573 5.793 2.116 4 HA ALA 1 HA ALA 1 10.369 4.938 2.329 5 HB1 ALA 1 1HB ALA 1 9.733 5.230 -0.033 6 HB2 ALA 1 2HB ALA 1 9.345 3.618 0.566 7 HB3 ALA 1 3HB ALA 1 10.755 3.862 -0.465 8 H GLU 2 H GLU 2 10.657 3.338 3.774 9 HA GLU 2 HA GLU 2 13.040 1.676 3.453 10 HB2 GLU 2 1HB GLU 2 11.373 1.877 5.949 11 HB3 GLU 2 2HB GLU 2 13.058 1.417 5.800 12 HG2 GLU 2 1HG GLU 2 11.881 4.170 5.465 13 HG3 GLU 2 2HG GLU 2 12.933 3.606 6.760 14 H ASP 3 H ASP 3 10.028 0.979 5.165 15 HA ASP 3 HA ASP 3 10.363 -1.826 4.517 16 HB2 ASP 3 1HB ASP 3 8.231 -0.503 6.224 17 HB3 ASP 3 2HB ASP 3 8.585 -2.225 6.141 18 H CYS 4 H CYS 4 9.943 -1.366 2.189 19 HA CYS 4 HA CYS 4 7.498 -0.442 1.209 20 HB2 CYS 4 2HB CYS 4 9.422 -2.396 -0.064 21 HB3 CYS 4 1HB CYS 4 8.139 -1.533 -0.908 22 H GLU 5 H GLU 5 8.504 -3.793 1.911 23 HA GLU 5 HA GLU 5 6.094 -4.938 0.939 24 HB2 GLU 5 1HB GLU 5 8.152 -6.046 2.858 25 HB3 GLU 5 2HB GLU 5 6.819 -6.981 2.182 26 HG2 GLU 5 1HG GLU 5 7.692 -6.453 -0.093 27 HG3 GLU 5 2HG GLU 5 9.089 -5.701 0.670 28 H ARG 6 H ARG 6 7.010 -3.538 4.012 29 HA ARG 6 HA ARG 6 4.722 -4.476 5.432 30 HB2 ARG 6 1HB ARG 6 6.682 -3.584 6.636 31 HB3 ARG 6 2HB ARG 6 6.382 -1.993 5.942 32 HG2 ARG 6 1HG ARG 6 5.547 -2.099 8.224 33 HG3 ARG 6 2HG ARG 6 4.216 -1.890 7.086 34 HD2 ARG 6 1HD ARG 6 4.143 -4.532 7.197 35 HD3 ARG 6 2HD ARG 6 4.950 -4.268 8.742 36 HE ARG 6 HE ARG 6 2.431 -2.876 8.143 37 HH11 ARG 6 1HH1 ARG 6 4.235 -5.135 10.130 38 HH12 ARG 6 2HH1 ARG 6 2.944 -5.331 11.276 39 HH21 ARG 6 1HH2 ARG 6 0.761 -3.125 9.642 40 HH22 ARG 6 2HH2 ARG 6 0.981 -4.164 11.023 41 H ILE 7 H ILE 7 5.444 -1.577 3.515 42 HA ILE 7 HA ILE 7 2.947 -0.299 3.813 43 HB ILE 7 HB ILE 7 4.766 -0.252 1.388 44 HG12 ILE 7 1HG1 ILE 7 4.680 1.637 3.764 45 HG13 ILE 7 2HG1 ILE 7 5.909 0.404 3.501 46 HG21 ILE 7 1HG2 ILE 7 2.531 0.595 0.889 47 HG22 ILE 7 2HG2 ILE 7 3.708 1.908 0.886 48 HG23 ILE 7 3HG2 ILE 7 2.626 1.694 2.264 49 HD11 ILE 7 1HD1 ILE 7 6.718 2.593 2.858 50 HD12 ILE 7 2HD1 ILE 7 5.380 2.777 1.723 51 HD13 ILE 7 3HD1 ILE 7 6.603 1.532 1.453 52 H ARG 8 H ARG 8 4.107 -2.763 1.584 53 HA ARG 8 HA ARG 8 1.884 -3.157 -0.023 54 HB2 ARG 8 1HB ARG 8 4.099 -4.323 -0.243 55 HB3 ARG 8 2HB ARG 8 3.659 -5.316 1.144 56 HG2 ARG 8 1HG ARG 8 1.770 -6.236 -0.108 57 HG3 ARG 8 2HG ARG 8 2.212 -5.249 -1.502 58 HD2 ARG 8 1HD ARG 8 3.957 -7.371 -0.232 59 HD3 ARG 8 2HD ARG 8 3.017 -7.571 -1.710 60 HE ARG 8 HE ARG 8 4.479 -5.517 -2.427 61 HH11 ARG 8 1HH1 ARG 8 5.496 -8.340 -0.631 62 HH12 ARG 8 2HH1 ARG 8 7.122 -8.293 -1.231 63 HH21 ARG 8 1HH2 ARG 8 6.635 -5.460 -3.228 64 HH22 ARG 8 2HH2 ARG 8 7.761 -6.670 -2.703 65 H LYS 9 H LYS 9 2.675 -4.635 3.105 66 HA LYS 9 HA LYS 9 0.303 -6.033 3.517 67 HB2 LYS 9 1HB LYS 9 2.477 -4.991 5.250 68 HB3 LYS 9 2HB LYS 9 0.966 -5.370 6.063 69 HG2 LYS 9 1HG LYS 9 2.564 -7.282 4.360 70 HG3 LYS 9 2HG LYS 9 2.542 -7.237 6.126 71 HD2 LYS 9 1HD LYS 9 -0.018 -7.523 5.888 72 HD3 LYS 9 2HD LYS 9 0.337 -8.014 4.231 73 HE2 LYS 9 1HE LYS 9 0.153 -9.957 5.685 74 HE3 LYS 9 2HE LYS 9 1.801 -9.791 5.078 75 HZ1 LYS 9 1HZ LYS 9 1.634 -10.322 7.485 76 HZ2 LYS 9 2HZ LYS 9 0.928 -8.807 7.736 77 HZ3 LYS 9 3HZ LYS 9 2.509 -8.917 7.153 78 H GLU 10 H GLU 10 1.141 -2.693 4.363 79 HA GLU 10 HA GLU 10 -1.257 -2.110 5.744 80 HB2 GLU 10 1HB GLU 10 0.656 -0.208 4.355 81 HB3 GLU 10 2HB GLU 10 -0.594 0.261 5.501 82 HG2 GLU 10 1HG GLU 10 1.847 -1.413 6.064 83 HG3 GLU 10 2HG GLU 10 1.533 0.232 6.612 84 H LEU 11 H LEU 11 -0.373 -2.070 2.370 85 HA LEU 11 HA LEU 11 -2.705 -0.617 1.513 86 HB2 LEU 11 1HB LEU 11 -0.586 -0.598 0.232 87 HB3 LEU 11 2HB LEU 11 -0.773 -2.314 -0.081 88 HG LEU 11 HG LEU 11 -2.842 -1.850 -1.350 89 HD11 LEU 11 1HD1 LEU 11 -3.453 0.428 -1.928 90 HD12 LEU 11 2HD1 LEU 11 -2.155 1.054 -0.910 91 HD13 LEU 11 3HD1 LEU 11 -3.513 0.193 -0.185 92 HD21 LEU 11 1HD2 LEU 11 -0.447 -0.270 -2.287 93 HD22 LEU 11 2HD2 LEU 11 -1.779 -0.829 -3.298 94 HD23 LEU 11 3HD2 LEU 11 -0.708 -1.998 -2.528 95 H GLU 12 H GLU 12 -1.749 -3.953 1.905 96 HA GLU 12 HA GLU 12 -3.890 -5.203 0.574 97 HB2 GLU 12 1HB GLU 12 -1.829 -6.363 1.241 98 HB3 GLU 12 2HB GLU 12 -2.235 -6.142 2.936 99 HG2 GLU 12 1HG GLU 12 -4.189 -7.567 2.669 100 HG3 GLU 12 2HG GLU 12 -3.826 -7.755 0.954 101 H LYS 13 H LYS 13 -3.453 -4.030 3.854 102 HA LYS 13 HA LYS 13 -6.085 -4.836 4.728 103 HB2 LYS 13 1HB LYS 13 -4.175 -4.790 6.283 104 HB3 LYS 13 2HB LYS 13 -3.999 -3.061 6.038 105 HG2 LYS 13 1HG LYS 13 -6.611 -4.094 7.050 106 HG3 LYS 13 2HG LYS 13 -5.237 -4.051 8.153 107 HD2 LYS 13 1HD LYS 13 -6.336 -1.685 6.615 108 HD3 LYS 13 2HD LYS 13 -6.614 -2.020 8.325 109 HE2 LYS 13 1HE LYS 13 -4.193 -1.841 8.735 110 HE3 LYS 13 2HE LYS 13 -3.937 -1.476 7.030 111 HZ1 LYS 13 1HZ LYS 13 -5.448 0.163 8.988 112 HZ2 LYS 13 2HZ LYS 13 -5.369 0.495 7.335 113 HZ3 LYS 13 3HZ LYS 13 -3.966 0.550 8.276 114 H ASN 14 H ASN 14 -4.468 -1.846 3.767 115 HA ASN 14 HA ASN 14 -7.064 -0.434 3.798 116 HB2 ASN 14 1HB ASN 14 -5.627 0.378 5.604 117 HB3 ASN 14 2HB ASN 14 -4.308 0.644 4.469 118 HD21 ASN 14 1HD2 ASN 14 -5.330 3.962 4.458 119 HD22 ASN 14 2HD2 ASN 14 -4.140 2.803 4.933 120 HA PRO 15 HA PRO 15 -5.590 -0.121 -0.505 121 HB2 PRO 15 2HB PRO 15 -7.957 -0.409 -1.713 122 HB3 PRO 15 1HB PRO 15 -7.140 -1.788 -0.968 123 HG2 PRO 15 2HG PRO 15 -9.429 -0.162 0.062 124 HG3 PRO 15 1HG PRO 15 -9.162 -1.910 0.163 125 HD2 PRO 15 2HD PRO 15 -8.629 -0.073 2.193 126 HD3 PRO 15 1HD PRO 15 -7.956 -1.712 2.091 127 H ASN 16 H ASN 16 -4.990 1.940 -0.925 128 HA ASN 16 HA ASN 16 -7.026 3.869 -1.677 129 HB2 ASN 16 1HB ASN 16 -5.153 4.285 0.646 130 HB3 ASN 16 2HB ASN 16 -5.649 5.663 -0.328 131 HD21 ASN 16 1HD2 ASN 16 -8.218 3.939 2.296 132 HD22 ASN 16 2HD2 ASN 16 -6.676 3.243 1.950 133 H ASP 17 H ASP 17 -6.315 5.239 -3.299 134 HA ASP 17 HA ASP 17 -4.245 4.305 -4.909 135 HB2 ASP 17 1HB ASP 17 -5.686 6.952 -4.876 136 HB3 ASP 17 2HB ASP 17 -4.437 6.596 -6.063 137 H GLU 18 H GLU 18 -4.207 6.978 -2.588 138 HA GLU 18 HA GLU 18 -1.673 7.982 -3.128 139 HB2 GLU 18 1HB GLU 18 -3.254 9.059 -1.569 140 HB3 GLU 18 2HB GLU 18 -3.028 7.738 -0.427 141 HG2 GLU 18 1HG GLU 18 -0.665 8.335 -0.202 142 HG3 GLU 18 2HG GLU 18 -0.894 9.656 -1.347 143 H ILE 19 H ILE 19 -2.562 5.542 -0.676 144 HA ILE 19 HA ILE 19 0.050 4.842 0.074 145 HB ILE 19 HB ILE 19 -2.412 3.074 0.124 146 HG12 ILE 19 1HG1 ILE 19 -2.827 5.185 1.293 147 HG13 ILE 19 2HG1 ILE 19 -2.692 3.869 2.452 148 HG21 ILE 19 1HG2 ILE 19 -1.263 1.906 1.968 149 HG22 ILE 19 2HG2 ILE 19 0.160 2.914 1.702 150 HG23 ILE 19 3HG2 ILE 19 -0.373 1.796 0.448 151 HD11 ILE 19 1HD1 ILE 19 -0.549 5.885 1.809 152 HD12 ILE 19 2HD1 ILE 19 -0.406 4.566 2.969 153 HD13 ILE 19 3HD1 ILE 19 -1.568 5.863 3.248 154 H LYS 20 H LYS 20 -2.038 3.683 -2.499 155 HA LYS 20 HA LYS 20 -0.615 1.437 -3.346 156 HB2 LYS 20 1HB LYS 20 -2.407 3.389 -4.792 157 HB3 LYS 20 2HB LYS 20 -1.651 2.051 -5.645 158 HG2 LYS 20 1HG LYS 20 -2.834 0.445 -4.371 159 HG3 LYS 20 2HG LYS 20 -3.351 1.653 -3.193 160 HD2 LYS 20 1HD LYS 20 -5.180 1.021 -4.700 161 HD3 LYS 20 2HD LYS 20 -4.757 2.722 -4.877 162 HE2 LYS 20 1HE LYS 20 -3.424 2.142 -6.882 163 HE3 LYS 20 2HE LYS 20 -3.952 0.464 -6.717 164 HZ1 LYS 20 1HZ LYS 20 -6.250 1.236 -6.952 165 HZ2 LYS 20 2HZ LYS 20 -5.319 1.608 -8.312 166 HZ3 LYS 20 3HZ LYS 20 -5.700 2.817 -7.194 167 H LYS 21 H LYS 21 -0.237 4.863 -4.267 168 HA LYS 21 HA LYS 21 2.016 4.217 -5.959 169 HB2 LYS 21 1HB LYS 21 0.687 6.808 -5.222 170 HB3 LYS 21 2HB LYS 21 2.226 6.782 -6.078 171 HG2 LYS 21 1HG LYS 21 0.946 5.116 -7.669 172 HG3 LYS 21 2HG LYS 21 -0.478 5.922 -7.005 173 HD2 LYS 21 1HD LYS 21 0.193 8.025 -7.856 174 HD3 LYS 21 2HD LYS 21 1.839 7.462 -8.163 175 HE2 LYS 21 1HE LYS 21 -0.667 6.632 -9.634 176 HE3 LYS 21 2HE LYS 21 0.662 7.609 -10.262 177 HZ1 LYS 21 1HZ LYS 21 2.129 5.643 -9.868 178 HZ2 LYS 21 2HZ LYS 21 0.949 5.406 -11.056 179 HZ3 LYS 21 3HZ LYS 21 0.743 4.735 -9.520 180 H LYS 22 H LYS 22 1.569 5.272 -2.659 181 HA LYS 22 HA LYS 22 4.279 6.017 -2.210 182 HB2 LYS 22 1HB LYS 22 2.247 4.943 -0.232 183 HB3 LYS 22 2HB LYS 22 3.782 5.686 0.195 184 HG2 LYS 22 1HG LYS 22 1.458 7.029 -1.175 185 HG3 LYS 22 2HG LYS 22 1.959 7.252 0.498 186 HD2 LYS 22 1HD LYS 22 3.716 7.910 -1.871 187 HD3 LYS 22 2HD LYS 22 2.642 9.078 -1.104 188 HE2 LYS 22 1HE LYS 22 4.780 9.448 -0.165 189 HE3 LYS 22 2HE LYS 22 3.859 8.590 1.066 190 HZ1 LYS 22 1HZ LYS 22 5.796 7.312 -0.789 191 HZ2 LYS 22 2HZ LYS 22 4.990 6.562 0.493 192 HZ3 LYS 22 3HZ LYS 22 6.137 7.758 0.802 193 H LEU 23 H LEU 23 2.576 3.006 -2.423 194 HA LEU 23 HA LEU 23 4.794 1.394 -1.511 195 HB2 LEU 23 1HB LEU 23 2.524 0.565 -1.223 196 HB3 LEU 23 2HB LEU 23 2.224 0.698 -2.948 197 HG LEU 23 HG LEU 23 3.884 -1.081 -3.368 198 HD11 LEU 23 1HD1 LEU 23 5.334 -0.723 -1.446 199 HD12 LEU 23 2HD1 LEU 23 4.779 -2.395 -1.518 200 HD13 LEU 23 3HD1 LEU 23 4.053 -1.274 -0.364 201 HD21 LEU 23 1HD2 LEU 23 1.755 -1.847 -1.376 202 HD22 LEU 23 2HD2 LEU 23 2.567 -2.938 -2.497 203 HD23 LEU 23 3HD2 LEU 23 1.525 -1.656 -3.115 204 H GLU 24 H GLU 24 3.288 2.269 -4.590 205 HA GLU 24 HA GLU 24 4.784 0.848 -6.401 206 HB2 GLU 24 1HB GLU 24 2.911 2.269 -7.064 207 HB3 GLU 24 2HB GLU 24 3.800 3.712 -6.602 208 HG2 GLU 24 1HG GLU 24 5.452 3.219 -8.379 209 HG3 GLU 24 2HG GLU 24 4.471 1.839 -8.868 210 H LYS 25 H LYS 25 5.523 4.172 -5.336 211 HA LYS 25 HA LYS 25 8.189 3.978 -6.463 212 HB2 LYS 25 1HB LYS 25 6.753 6.250 -5.074 213 HB3 LYS 25 2HB LYS 25 8.373 6.368 -5.746 214 HG2 LYS 25 1HG LYS 25 5.814 5.854 -7.256 215 HG3 LYS 25 2HG LYS 25 6.818 7.305 -7.311 216 HD2 LYS 25 1HD LYS 25 7.621 4.543 -8.255 217 HD3 LYS 25 2HD LYS 25 7.194 5.908 -9.288 218 HE2 LYS 25 1HE LYS 25 9.136 7.132 -8.585 219 HE3 LYS 25 2HE LYS 25 9.503 5.939 -7.339 220 HZ1 LYS 25 1HZ LYS 25 9.544 5.421 -10.266 221 HZ2 LYS 25 2HZ LYS 25 9.936 4.312 -9.050 222 HZ3 LYS 25 3HZ LYS 25 10.907 5.673 -9.294 223 H CYS 26 H CYS 26 7.360 2.420 -4.033 224 HA CYS 26 HA CYS 26 9.446 3.340 -2.189 225 HB2 CYS 26 2HB CYS 26 7.212 2.658 -1.272 226 HB3 CYS 26 1HB CYS 26 7.512 1.029 -1.865 227 H GLN 27 H GLN 27 8.610 0.849 -4.466 228 HA GLN 27 HA GLN 27 11.247 -0.417 -4.090 229 HB2 GLN 27 1HB GLN 27 10.191 -2.600 -4.530 230 HB3 GLN 27 2HB GLN 27 9.531 -1.833 -3.091 231 HG2 GLN 27 1HG GLN 27 7.658 -0.989 -4.616 232 HG3 GLN 27 2HG GLN 27 8.256 -2.159 -5.790 233 HE21 GLN 27 1HE2 GLN 27 5.510 -3.525 -3.600 234 HE22 GLN 27 2HE2 GLN 27 5.699 -2.027 -4.434 235 H ALA 28 H ALA 28 8.943 0.927 -6.232 236 HA ALA 28 HA ALA 28 10.312 -0.187 -8.586 237 HB1 ALA 28 1HB ALA 28 7.588 1.119 -8.422 238 HB2 ALA 28 2HB ALA 28 7.891 -0.617 -8.507 239 HB3 ALA 28 3HB ALA 28 8.324 0.420 -9.865 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 11.931 3.867 -2.226 2 H2 ALA 1 2H ALA 1 12.289 4.741 -0.826 3 H3 ALA 1 3H ALA 1 11.231 5.387 -1.973 4 HA ALA 1 HA ALA 1 9.997 4.585 -0.106 5 HB1 ALA 1 1HB ALA 1 8.469 3.066 -1.272 6 HB2 ALA 1 2HB ALA 1 9.685 2.790 -2.519 7 HB3 ALA 1 3HB ALA 1 8.972 4.391 -2.320 8 H GLU 2 H GLU 2 10.703 3.618 1.682 9 HA GLU 2 HA GLU 2 11.748 0.865 1.505 10 HB2 GLU 2 1HB GLU 2 12.185 2.993 3.619 11 HB3 GLU 2 2HB GLU 2 12.699 1.320 3.792 12 HG2 GLU 2 1HG GLU 2 14.605 2.525 3.127 13 HG3 GLU 2 2HG GLU 2 14.074 1.630 1.708 14 H ASP 3 H ASP 3 11.325 -0.256 3.817 15 HA ASP 3 HA ASP 3 9.767 -1.462 4.939 16 HB2 ASP 3 1HB ASP 3 8.483 1.277 5.096 17 HB3 ASP 3 2HB ASP 3 7.903 -0.124 5.985 18 H CYS 4 H CYS 4 9.623 -1.412 2.130 19 HA CYS 4 HA CYS 4 7.225 -0.880 0.915 20 HB2 CYS 4 2HB CYS 4 9.177 -3.118 0.340 21 HB3 CYS 4 1HB CYS 4 7.908 -2.588 -0.762 22 H GLU 5 H GLU 5 8.087 -3.778 2.760 23 HA GLU 5 HA GLU 5 5.788 -5.245 1.914 24 HB2 GLU 5 1HB GLU 5 7.541 -5.754 4.328 25 HB3 GLU 5 2HB GLU 5 6.452 -6.903 3.558 26 HG2 GLU 5 1HG GLU 5 9.049 -5.803 2.528 27 HG3 GLU 5 2HG GLU 5 8.592 -7.485 2.798 28 H ARG 6 H ARG 6 6.585 -3.301 4.740 29 HA ARG 6 HA ARG 6 4.237 -3.698 6.226 30 HB2 ARG 6 1HB ARG 6 6.373 -2.433 6.895 31 HB3 ARG 6 2HB ARG 6 5.716 -1.065 6.006 32 HG2 ARG 6 1HG ARG 6 3.676 -1.241 7.499 33 HG3 ARG 6 2HG ARG 6 4.609 -2.373 8.481 34 HD2 ARG 6 1HD ARG 6 5.166 0.541 7.953 35 HD3 ARG 6 2HD ARG 6 4.861 -0.247 9.500 36 HE ARG 6 HE ARG 6 7.321 -0.618 7.904 37 HH11 ARG 6 1HH1 ARG 6 5.677 -0.506 10.989 38 HH12 ARG 6 2HH1 ARG 6 7.144 -0.508 11.910 39 HH21 ARG 6 1HH2 ARG 6 9.250 -0.619 9.103 40 HH22 ARG 6 2HH2 ARG 6 9.187 -0.556 10.837 41 H ILE 7 H ILE 7 5.077 -1.323 3.752 42 HA ILE 7 HA ILE 7 2.637 0.040 3.540 43 HB ILE 7 HB ILE 7 4.676 -0.530 1.367 44 HG12 ILE 7 1HG1 ILE 7 4.442 1.862 3.220 45 HG13 ILE 7 2HG1 ILE 7 5.644 0.584 3.366 46 HG21 ILE 7 1HG2 ILE 7 2.579 1.638 1.511 47 HG22 ILE 7 2HG2 ILE 7 2.543 0.231 0.447 48 HG23 ILE 7 3HG2 ILE 7 3.796 1.455 0.247 49 HD11 ILE 7 1HD1 ILE 7 6.544 1.213 1.168 50 HD12 ILE 7 2HD1 ILE 7 6.611 2.536 2.331 51 HD13 ILE 7 3HD1 ILE 7 5.369 2.523 1.078 52 H ARG 8 H ARG 8 3.835 -2.882 1.979 53 HA ARG 8 HA ARG 8 1.805 -3.226 0.076 54 HB2 ARG 8 1HB ARG 8 4.080 -4.416 0.254 55 HB3 ARG 8 2HB ARG 8 3.300 -5.496 1.401 56 HG2 ARG 8 1HG ARG 8 1.667 -6.125 -0.330 57 HG3 ARG 8 2HG ARG 8 2.498 -5.070 -1.477 58 HD2 ARG 8 1HD ARG 8 3.531 -7.582 -0.170 59 HD3 ARG 8 2HD ARG 8 3.283 -7.278 -1.888 60 HE ARG 8 HE ARG 8 5.528 -6.408 -0.244 61 HH11 ARG 8 1HH1 ARG 8 3.886 -6.131 -3.339 62 HH12 ARG 8 2HH1 ARG 8 5.307 -5.574 -4.171 63 HH21 ARG 8 1HH2 ARG 8 7.363 -5.629 -1.326 64 HH22 ARG 8 2HH2 ARG 8 7.278 -5.265 -3.027 65 H LYS 9 H LYS 9 2.148 -4.408 3.389 66 HA LYS 9 HA LYS 9 -0.264 -5.928 3.357 67 HB2 LYS 9 1HB LYS 9 1.422 -4.916 5.655 68 HB3 LYS 9 2HB LYS 9 0.048 -5.998 5.851 69 HG2 LYS 9 1HG LYS 9 2.560 -6.587 4.285 70 HG3 LYS 9 2HG LYS 9 2.154 -7.223 5.881 71 HD2 LYS 9 1HD LYS 9 0.217 -8.384 4.943 72 HD3 LYS 9 2HD LYS 9 0.567 -7.710 3.349 73 HE2 LYS 9 1HE LYS 9 2.720 -8.899 3.333 74 HE3 LYS 9 2HE LYS 9 2.348 -9.583 4.916 75 HZ1 LYS 9 1HZ LYS 9 1.856 -11.116 3.086 76 HZ2 LYS 9 2HZ LYS 9 0.738 -10.016 2.461 77 HZ3 LYS 9 3HZ LYS 9 0.469 -10.726 3.971 78 H GLU 10 H GLU 10 0.543 -2.660 4.538 79 HA GLU 10 HA GLU 10 -1.956 -2.089 5.660 80 HB2 GLU 10 1HB GLU 10 0.181 -0.706 5.852 81 HB3 GLU 10 2HB GLU 10 -0.214 -0.044 4.266 82 HG2 GLU 10 1HG GLU 10 -2.446 0.611 5.236 83 HG3 GLU 10 2HG GLU 10 -1.791 0.177 6.811 84 H LEU 11 H LEU 11 -0.769 -1.895 2.367 85 HA LEU 11 HA LEU 11 -3.100 -0.599 1.312 86 HB2 LEU 11 1HB LEU 11 -0.726 -0.569 0.350 87 HB3 LEU 11 2HB LEU 11 -1.047 -2.183 -0.245 88 HG LEU 11 HG LEU 11 -1.315 -0.241 -1.887 89 HD11 LEU 11 1HD1 LEU 11 -2.152 -2.481 -2.370 90 HD12 LEU 11 2HD1 LEU 11 -3.218 -1.233 -3.014 91 HD13 LEU 11 3HD1 LEU 11 -3.662 -2.099 -1.543 92 HD21 LEU 11 1HD2 LEU 11 -3.451 0.942 -1.851 93 HD22 LEU 11 2HD2 LEU 11 -2.515 1.283 -0.399 94 HD23 LEU 11 3HD2 LEU 11 -3.873 0.161 -0.331 95 H GLU 12 H GLU 12 -1.968 -3.895 1.671 96 HA GLU 12 HA GLU 12 -3.815 -5.258 0.102 97 HB2 GLU 12 1HB GLU 12 -1.856 -6.320 1.112 98 HB3 GLU 12 2HB GLU 12 -2.528 -6.078 2.718 99 HG2 GLU 12 1HG GLU 12 -4.375 -7.587 2.173 100 HG3 GLU 12 2HG GLU 12 -3.699 -7.824 0.563 101 H LYS 13 H LYS 13 -4.028 -4.126 3.444 102 HA LYS 13 HA LYS 13 -6.740 -5.073 3.763 103 HB2 LYS 13 1HB LYS 13 -5.261 -5.026 5.704 104 HB3 LYS 13 2HB LYS 13 -5.036 -3.289 5.523 105 HG2 LYS 13 1HG LYS 13 -7.443 -2.955 5.954 106 HG3 LYS 13 2HG LYS 13 -7.623 -4.694 6.195 107 HD2 LYS 13 1HD LYS 13 -6.093 -4.604 8.092 108 HD3 LYS 13 2HD LYS 13 -5.848 -2.875 7.831 109 HE2 LYS 13 1HE LYS 13 -8.453 -4.217 8.561 110 HE3 LYS 13 2HE LYS 13 -7.437 -3.262 9.640 111 HZ1 LYS 13 1HZ LYS 13 -8.828 -2.257 7.214 112 HZ2 LYS 13 2HZ LYS 13 -7.825 -1.338 8.212 113 HZ3 LYS 13 3HZ LYS 13 -9.277 -1.954 8.815 114 H ASN 14 H ASN 14 -5.231 -1.833 3.811 115 HA ASN 14 HA ASN 14 -7.871 -0.638 3.310 116 HB2 ASN 14 1HB ASN 14 -5.308 0.645 4.303 117 HB3 ASN 14 2HB ASN 14 -6.854 1.465 4.108 118 HD21 ASN 14 1HD2 ASN 14 -6.220 0.332 7.646 119 HD22 ASN 14 2HD2 ASN 14 -5.223 1.124 6.480 120 HA PRO 15 HA PRO 15 -6.380 0.263 -0.807 121 HB2 PRO 15 2HB PRO 15 -8.821 1.643 -1.413 122 HB3 PRO 15 1HB PRO 15 -8.388 -0.018 -1.815 123 HG2 PRO 15 2HG PRO 15 -10.382 0.720 -0.031 124 HG3 PRO 15 1HG PRO 15 -9.601 -0.869 -0.086 125 HD2 PRO 15 2HD PRO 15 -9.078 1.443 1.743 126 HD3 PRO 15 1HD PRO 15 -9.069 -0.302 2.090 127 H ASN 16 H ASN 16 -5.199 1.974 0.934 128 HA ASN 16 HA ASN 16 -6.048 4.700 0.611 129 HB2 ASN 16 1HB ASN 16 -3.470 3.547 1.710 130 HB3 ASN 16 2HB ASN 16 -3.903 5.253 1.769 131 HD21 ASN 16 1HD2 ASN 16 -4.780 3.426 4.945 132 HD22 ASN 16 2HD2 ASN 16 -3.361 3.434 3.959 133 H ASP 17 H ASP 17 -5.422 6.168 -0.857 134 HA ASP 17 HA ASP 17 -4.353 5.325 -3.314 135 HB2 ASP 17 1HB ASP 17 -4.517 8.171 -2.279 136 HB3 ASP 17 2HB ASP 17 -4.362 7.682 -3.963 137 H GLU 18 H GLU 18 -2.921 7.581 -0.953 138 HA GLU 18 HA GLU 18 -0.418 7.880 -2.060 139 HB2 GLU 18 1HB GLU 18 -1.347 7.873 0.806 140 HB3 GLU 18 2HB GLU 18 0.336 8.174 0.399 141 HG2 GLU 18 1HG GLU 18 -1.947 9.776 -0.728 142 HG3 GLU 18 2HG GLU 18 -1.079 10.212 0.744 143 H ILE 19 H ILE 19 -1.505 5.346 0.147 144 HA ILE 19 HA ILE 19 1.005 4.096 0.469 145 HB ILE 19 HB ILE 19 -1.777 2.933 0.770 146 HG12 ILE 19 1HG1 ILE 19 -1.356 4.882 2.218 147 HG13 ILE 19 2HG1 ILE 19 -1.463 3.404 3.168 148 HG21 ILE 19 1HG2 ILE 19 -0.106 1.169 0.524 149 HG22 ILE 19 2HG2 ILE 19 -0.727 1.220 2.172 150 HG23 ILE 19 3HG2 ILE 19 0.864 1.889 1.811 151 HD11 ILE 19 1HD1 ILE 19 0.968 3.332 3.343 152 HD12 ILE 19 2HD1 ILE 19 0.326 4.855 3.954 153 HD13 ILE 19 3HD1 ILE 19 1.087 4.792 2.367 154 H LYS 20 H LYS 20 -1.684 3.524 -1.777 155 HA LYS 20 HA LYS 20 -0.623 1.271 -3.079 156 HB2 LYS 20 1HB LYS 20 -2.955 1.892 -3.350 157 HB3 LYS 20 2HB LYS 20 -2.502 3.425 -4.084 158 HG2 LYS 20 1HG LYS 20 -3.258 1.876 -5.779 159 HG3 LYS 20 2HG LYS 20 -1.541 2.221 -5.998 160 HD2 LYS 20 1HD LYS 20 -1.039 0.082 -4.779 161 HD3 LYS 20 2HD LYS 20 -2.770 -0.266 -4.791 162 HE2 LYS 20 1HE LYS 20 -0.989 0.093 -7.206 163 HE3 LYS 20 2HE LYS 20 -1.662 -1.427 -6.618 164 HZ1 LYS 20 1HZ LYS 20 -2.942 -0.600 -8.464 165 HZ2 LYS 20 2HZ LYS 20 -3.206 0.874 -7.686 166 HZ3 LYS 20 3HZ LYS 20 -3.885 -0.543 -7.061 167 H LYS 21 H LYS 21 -0.207 4.731 -3.646 168 HA LYS 21 HA LYS 21 1.223 4.450 -6.086 169 HB2 LYS 21 1HB LYS 21 1.071 6.735 -4.113 170 HB3 LYS 21 2HB LYS 21 1.902 6.838 -5.662 171 HG2 LYS 21 1HG LYS 21 -1.042 6.315 -5.246 172 HG3 LYS 21 2HG LYS 21 -0.311 7.816 -5.821 173 HD2 LYS 21 1HD LYS 21 -0.232 5.140 -7.234 174 HD3 LYS 21 2HD LYS 21 -1.226 6.526 -7.684 175 HE2 LYS 21 1HE LYS 21 0.797 7.838 -8.121 176 HE3 LYS 21 2HE LYS 21 1.796 6.462 -7.653 177 HZ1 LYS 21 1HZ LYS 21 -0.126 6.439 -9.910 178 HZ2 LYS 21 2HZ LYS 21 0.978 5.224 -9.510 179 HZ3 LYS 21 3HZ LYS 21 1.532 6.717 -10.073 180 H LYS 22 H LYS 22 2.250 4.877 -2.719 181 HA LYS 22 HA LYS 22 5.034 4.842 -3.330 182 HB2 LYS 22 1HB LYS 22 3.542 4.362 -0.739 183 HB3 LYS 22 2HB LYS 22 5.299 4.458 -0.857 184 HG2 LYS 22 1HG LYS 22 5.121 6.748 -1.710 185 HG3 LYS 22 2HG LYS 22 3.362 6.657 -1.592 186 HD2 LYS 22 1HD LYS 22 3.478 6.465 0.807 187 HD3 LYS 22 2HD LYS 22 5.240 6.341 0.756 188 HE2 LYS 22 1HE LYS 22 4.540 8.586 1.424 189 HE3 LYS 22 2HE LYS 22 5.382 8.624 -0.124 190 HZ1 LYS 22 1HZ LYS 22 3.170 8.668 -1.210 191 HZ2 LYS 22 2HZ LYS 22 3.480 10.025 -0.259 192 HZ3 LYS 22 3HZ LYS 22 2.451 8.815 0.315 193 H LEU 23 H LEU 23 2.629 2.408 -2.708 194 HA LEU 23 HA LEU 23 4.416 0.218 -2.377 195 HB2 LEU 23 1HB LEU 23 2.005 0.235 -1.682 196 HB3 LEU 23 2HB LEU 23 1.552 0.199 -3.371 197 HG LEU 23 HG LEU 23 1.474 -2.000 -2.015 198 HD11 LEU 23 1HD1 LEU 23 2.093 -3.346 -3.945 199 HD12 LEU 23 2HD1 LEU 23 2.936 -1.970 -4.655 200 HD13 LEU 23 3HD1 LEU 23 1.186 -1.917 -4.439 201 HD21 LEU 23 1HD2 LEU 23 3.544 -3.270 -1.916 202 HD22 LEU 23 2HD2 LEU 23 3.686 -1.778 -0.986 203 HD23 LEU 23 3HD2 LEU 23 4.440 -1.901 -2.576 204 H GLU 24 H GLU 24 3.035 1.903 -5.114 205 HA GLU 24 HA GLU 24 3.608 0.056 -7.152 206 HB2 GLU 24 1HB GLU 24 2.221 2.146 -7.366 207 HB3 GLU 24 2HB GLU 24 3.713 3.075 -7.377 208 HG2 GLU 24 1HG GLU 24 4.415 1.882 -9.416 209 HG3 GLU 24 2HG GLU 24 2.884 1.005 -9.407 210 H LYS 25 H LYS 25 5.566 2.518 -5.575 211 HA LYS 25 HA LYS 25 7.886 2.042 -7.225 212 HB2 LYS 25 1HB LYS 25 7.535 3.611 -4.660 213 HB3 LYS 25 2HB LYS 25 9.036 3.538 -5.574 214 HG2 LYS 25 1HG LYS 25 6.407 4.653 -6.544 215 HG3 LYS 25 2HG LYS 25 7.822 5.583 -6.056 216 HD2 LYS 25 1HD LYS 25 7.834 3.603 -8.338 217 HD3 LYS 25 2HD LYS 25 7.499 5.319 -8.545 218 HE2 LYS 25 1HE LYS 25 9.793 4.961 -9.084 219 HE3 LYS 25 2HE LYS 25 9.740 5.804 -7.539 220 HZ1 LYS 25 1HZ LYS 25 11.365 3.954 -7.657 221 HZ2 LYS 25 2HZ LYS 25 10.081 2.865 -7.800 222 HZ3 LYS 25 3HZ LYS 25 10.248 3.796 -6.397 223 H CYS 26 H CYS 26 6.434 0.211 -5.003 224 HA CYS 26 HA CYS 26 8.937 -1.189 -4.330 225 HB2 CYS 26 2HB CYS 26 6.457 -0.796 -2.639 226 HB3 CYS 26 1HB CYS 26 7.653 -2.041 -2.295 227 H GLN 27 H GLN 27 6.721 -1.240 -6.451 228 HA GLN 27 HA GLN 27 5.701 -3.968 -6.124 229 HB2 GLN 27 1HB GLN 27 4.052 -2.246 -6.650 230 HB3 GLN 27 2HB GLN 27 4.973 -1.757 -8.065 231 HG2 GLN 27 1HG GLN 27 4.574 -3.983 -9.057 232 HG3 GLN 27 2HG GLN 27 3.576 -4.397 -7.663 233 HE21 GLN 27 1HE2 GLN 27 1.582 -3.068 -10.594 234 HE22 GLN 27 2HE2 GLN 27 2.891 -4.196 -10.506 235 H ALA 28 H ALA 28 7.072 -1.935 -8.708 236 HA ALA 28 HA ALA 28 8.108 -4.328 -10.050 237 HB1 ALA 28 1HB ALA 28 7.915 -1.478 -11.038 238 HB2 ALA 28 2HB ALA 28 6.776 -2.773 -11.403 239 HB3 ALA 28 3HB ALA 28 8.437 -2.868 -11.990 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 13.489 -0.592 4.271 2 H2 ALA 1 2H ALA 1 12.678 0.201 3.018 3 H3 ALA 1 3H ALA 1 14.337 0.441 3.238 4 HA ALA 1 HA ALA 1 13.916 -1.014 1.376 5 HB1 ALA 1 1HB ALA 1 15.441 -2.802 2.014 6 HB2 ALA 1 2HB ALA 1 15.173 -2.448 3.721 7 HB3 ALA 1 3HB ALA 1 15.977 -1.264 2.691 8 H GLU 2 H GLU 2 13.416 -3.117 4.217 9 HA GLU 2 HA GLU 2 11.744 -4.877 2.703 10 HB2 GLU 2 1HB GLU 2 13.251 -5.652 4.515 11 HB3 GLU 2 2HB GLU 2 12.255 -4.798 5.686 12 HG2 GLU 2 1HG GLU 2 11.737 -7.157 5.714 13 HG3 GLU 2 2HG GLU 2 10.355 -6.241 5.121 14 H ASP 3 H ASP 3 11.185 -2.067 4.555 15 HA ASP 3 HA ASP 3 8.625 -2.531 5.585 16 HB2 ASP 3 1HB ASP 3 8.402 -0.051 5.623 17 HB3 ASP 3 2HB ASP 3 9.906 -0.633 6.327 18 H CYS 4 H CYS 4 9.596 -2.158 2.326 19 HA CYS 4 HA CYS 4 7.336 -1.133 1.085 20 HB2 CYS 4 2HB CYS 4 9.024 -3.476 0.153 21 HB3 CYS 4 1HB CYS 4 7.959 -2.510 -0.862 22 H GLU 5 H GLU 5 7.954 -4.341 2.387 23 HA GLU 5 HA GLU 5 5.608 -5.617 1.511 24 HB2 GLU 5 1HB GLU 5 7.536 -6.856 2.342 25 HB3 GLU 5 2HB GLU 5 7.353 -6.134 3.932 26 HG2 GLU 5 1HG GLU 5 4.953 -7.531 3.019 27 HG3 GLU 5 2HG GLU 5 6.366 -8.574 3.134 28 H ARG 6 H ARG 6 6.353 -3.756 4.433 29 HA ARG 6 HA ARG 6 3.901 -4.113 5.761 30 HB2 ARG 6 1HB ARG 6 5.749 -3.186 6.982 31 HB3 ARG 6 2HB ARG 6 5.913 -1.853 5.845 32 HG2 ARG 6 1HG ARG 6 3.709 -0.992 6.575 33 HG3 ARG 6 2HG ARG 6 3.614 -2.298 7.756 34 HD2 ARG 6 1HD ARG 6 5.838 -0.263 7.685 35 HD3 ARG 6 2HD ARG 6 4.383 -0.086 8.664 36 HE ARG 6 HE ARG 6 5.299 -2.504 9.426 37 HH11 ARG 6 1HH1 ARG 6 6.927 0.584 9.088 38 HH12 ARG 6 2HH1 ARG 6 7.976 0.322 10.446 39 HH21 ARG 6 1HH2 ARG 6 6.667 -2.837 11.220 40 HH22 ARG 6 2HH2 ARG 6 7.836 -1.625 11.648 41 H ILE 7 H ILE 7 4.993 -1.590 3.512 42 HA ILE 7 HA ILE 7 2.703 0.009 3.543 43 HB ILE 7 HB ILE 7 4.598 -0.474 1.224 44 HG12 ILE 7 1HG1 ILE 7 4.604 1.670 3.373 45 HG13 ILE 7 2HG1 ILE 7 5.730 0.322 3.266 46 HG21 ILE 7 1HG2 ILE 7 3.833 1.698 0.378 47 HG22 ILE 7 2HG2 ILE 7 2.662 1.800 1.693 48 HG23 ILE 7 3HG2 ILE 7 2.508 0.538 0.470 49 HD11 ILE 7 1HD1 ILE 7 6.750 2.361 2.466 50 HD12 ILE 7 2HD1 ILE 7 5.461 2.569 1.278 51 HD13 ILE 7 3HD1 ILE 7 6.574 1.206 1.145 52 H ARG 8 H ARG 8 3.546 -2.723 1.434 53 HA ARG 8 HA ARG 8 1.180 -2.750 -0.096 54 HB2 ARG 8 1HB ARG 8 3.306 -4.054 -0.537 55 HB3 ARG 8 2HB ARG 8 2.800 -5.173 0.717 56 HG2 ARG 8 1HG ARG 8 0.749 -5.655 -0.581 57 HG3 ARG 8 2HG ARG 8 1.339 -4.591 -1.862 58 HD2 ARG 8 1HD ARG 8 1.833 -6.893 -2.421 59 HD3 ARG 8 2HD ARG 8 3.336 -6.027 -2.095 60 HE ARG 8 HE ARG 8 2.046 -7.724 -0.056 61 HH11 ARG 8 1HH1 ARG 8 4.852 -6.828 -1.942 62 HH12 ARG 8 2HH1 ARG 8 5.919 -7.908 -1.104 63 HH21 ARG 8 1HH2 ARG 8 3.456 -9.123 1.066 64 HH22 ARG 8 2HH2 ARG 8 5.127 -9.212 0.609 65 H LYS 9 H LYS 9 2.066 -4.277 2.933 66 HA LYS 9 HA LYS 9 -0.255 -5.837 3.302 67 HB2 LYS 9 1HB LYS 9 1.943 -6.122 4.483 68 HB3 LYS 9 2HB LYS 9 1.562 -4.700 5.443 69 HG2 LYS 9 1HG LYS 9 -0.352 -5.836 6.412 70 HG3 LYS 9 2HG LYS 9 -0.063 -7.245 5.385 71 HD2 LYS 9 1HD LYS 9 1.804 -6.167 7.508 72 HD3 LYS 9 2HD LYS 9 0.813 -7.622 7.634 73 HE2 LYS 9 1HE LYS 9 2.049 -8.659 5.819 74 HE3 LYS 9 2HE LYS 9 2.984 -7.184 5.579 75 HZ1 LYS 9 1HZ LYS 9 3.869 -7.470 7.838 76 HZ2 LYS 9 2HZ LYS 9 4.267 -8.756 6.820 77 HZ3 LYS 9 3HZ LYS 9 3.044 -8.939 7.970 78 H GLU 10 H GLU 10 0.517 -2.504 4.056 79 HA GLU 10 HA GLU 10 -1.890 -1.979 5.526 80 HB2 GLU 10 1HB GLU 10 0.056 -0.130 4.123 81 HB3 GLU 10 2HB GLU 10 -1.296 0.422 5.097 82 HG2 GLU 10 1HG GLU 10 -0.325 -0.675 7.065 83 HG3 GLU 10 2HG GLU 10 1.035 -1.220 6.081 84 H LEU 11 H LEU 11 -0.844 -1.846 2.200 85 HA LEU 11 HA LEU 11 -2.976 -0.283 1.182 86 HB2 LEU 11 1HB LEU 11 -0.753 -0.562 0.106 87 HB3 LEU 11 2HB LEU 11 -1.164 -2.222 -0.270 88 HG LEU 11 HG LEU 11 -2.926 -1.486 -1.785 89 HD11 LEU 11 1HD1 LEU 11 -2.125 1.327 -1.044 90 HD12 LEU 11 2HD1 LEU 11 -3.620 0.522 -0.561 91 HD13 LEU 11 3HD1 LEU 11 -3.312 0.862 -2.263 92 HD21 LEU 11 1HD2 LEU 11 -0.333 -0.022 -2.276 93 HD22 LEU 11 2HD2 LEU 11 -1.541 -0.430 -3.494 94 HD23 LEU 11 3HD2 LEU 11 -0.658 -1.712 -2.664 95 H GLU 12 H GLU 12 -2.453 -3.772 1.476 96 HA GLU 12 HA GLU 12 -4.817 -4.493 0.057 97 HB2 GLU 12 1HB GLU 12 -4.440 -6.759 1.154 98 HB3 GLU 12 2HB GLU 12 -3.140 -6.155 0.141 99 HG2 GLU 12 1HG GLU 12 -1.786 -6.659 1.838 100 HG3 GLU 12 2HG GLU 12 -2.432 -5.226 2.628 101 H LYS 13 H LYS 13 -4.143 -3.643 3.376 102 HA LYS 13 HA LYS 13 -6.712 -4.457 4.400 103 HB2 LYS 13 1HB LYS 13 -4.624 -2.573 5.535 104 HB3 LYS 13 2HB LYS 13 -6.073 -3.074 6.391 105 HG2 LYS 13 1HG LYS 13 -3.850 -4.902 5.486 106 HG3 LYS 13 2HG LYS 13 -4.086 -4.292 7.124 107 HD2 LYS 13 1HD LYS 13 -6.319 -5.412 7.152 108 HD3 LYS 13 2HD LYS 13 -5.932 -6.120 5.580 109 HE2 LYS 13 1HE LYS 13 -4.535 -6.590 8.211 110 HE3 LYS 13 2HE LYS 13 -5.426 -7.761 7.240 111 HZ1 LYS 13 1HZ LYS 13 -3.102 -8.106 6.927 112 HZ2 LYS 13 2HZ LYS 13 -2.839 -6.479 6.563 113 HZ3 LYS 13 3HZ LYS 13 -3.718 -7.452 5.492 114 H ASN 14 H ASN 14 -5.232 -1.483 3.250 115 HA ASN 14 HA ASN 14 -7.852 -0.148 3.256 116 HB2 ASN 14 1HB ASN 14 -6.672 0.647 5.233 117 HB3 ASN 14 2HB ASN 14 -5.231 0.989 4.283 118 HD21 ASN 14 1HD2 ASN 14 -6.352 4.290 4.269 119 HD22 ASN 14 2HD2 ASN 14 -5.203 3.147 4.868 120 HA PRO 15 HA PRO 15 -6.101 0.249 -0.967 121 HB2 PRO 15 2HB PRO 15 -8.948 0.869 -1.536 122 HB3 PRO 15 1HB PRO 15 -7.883 -0.316 -2.300 123 HG2 PRO 15 2HG PRO 15 -9.848 -1.088 -0.657 124 HG3 PRO 15 1HG PRO 15 -8.278 -1.921 -0.666 125 HD2 PRO 15 2HD PRO 15 -9.324 0.136 1.261 126 HD3 PRO 15 1HD PRO 15 -8.435 -1.367 1.594 127 H ASN 16 H ASN 16 -5.190 2.123 -1.551 128 HA ASN 16 HA ASN 16 -6.665 4.596 -1.592 129 HB2 ASN 16 1HB ASN 16 -5.964 4.459 0.801 130 HB3 ASN 16 2HB ASN 16 -4.286 4.347 0.287 131 HD21 ASN 16 1HD2 ASN 16 -5.350 7.864 1.203 132 HD22 ASN 16 2HD2 ASN 16 -5.605 6.333 1.968 133 H ASP 17 H ASP 17 -5.923 5.794 -3.224 134 HA ASP 17 HA ASP 17 -4.068 4.757 -5.038 135 HB2 ASP 17 1HB ASP 17 -5.886 6.318 -5.643 136 HB3 ASP 17 2HB ASP 17 -5.051 7.615 -4.793 137 H GLU 18 H GLU 18 -3.714 7.124 -2.467 138 HA GLU 18 HA GLU 18 -1.132 8.076 -3.087 139 HB2 GLU 18 1HB GLU 18 -2.397 7.769 -0.351 140 HB3 GLU 18 2HB GLU 18 -1.063 8.839 -0.765 141 HG2 GLU 18 1HG GLU 18 -2.485 10.196 -2.134 142 HG3 GLU 18 2HG GLU 18 -3.818 9.052 -1.966 143 H ILE 19 H ILE 19 -2.184 5.544 -0.819 144 HA ILE 19 HA ILE 19 0.388 4.671 -0.081 145 HB ILE 19 HB ILE 19 -2.160 3.022 -0.119 146 HG12 ILE 19 1HG1 ILE 19 -2.462 5.102 1.159 147 HG13 ILE 19 2HG1 ILE 19 -2.427 3.712 2.237 148 HG21 ILE 19 1HG2 ILE 19 -0.168 1.645 0.143 149 HG22 ILE 19 2HG2 ILE 19 -1.061 1.714 1.661 150 HG23 ILE 19 3HG2 ILE 19 0.402 2.678 1.455 151 HD11 ILE 19 1HD1 ILE 19 -0.109 4.233 2.823 152 HD12 ILE 19 2HD1 ILE 19 -1.193 5.580 3.167 153 HD13 ILE 19 3HD1 ILE 19 -0.154 5.628 1.743 154 H LYS 20 H LYS 20 -1.787 3.735 -2.698 155 HA LYS 20 HA LYS 20 -0.332 1.579 -3.721 156 HB2 LYS 20 1HB LYS 20 -2.144 3.593 -5.047 157 HB3 LYS 20 2HB LYS 20 -1.375 2.303 -5.964 158 HG2 LYS 20 1HG LYS 20 -2.466 0.711 -4.282 159 HG3 LYS 20 2HG LYS 20 -3.436 2.099 -3.792 160 HD2 LYS 20 1HD LYS 20 -4.798 1.100 -5.373 161 HD3 LYS 20 2HD LYS 20 -3.954 2.313 -6.338 162 HE2 LYS 20 1HE LYS 20 -3.234 -0.616 -6.140 163 HE3 LYS 20 2HE LYS 20 -4.070 0.144 -7.488 164 HZ1 LYS 20 1HZ LYS 20 -1.284 0.674 -6.614 165 HZ2 LYS 20 2HZ LYS 20 -2.075 1.509 -7.852 166 HZ3 LYS 20 3HZ LYS 20 -1.763 -0.145 -8.011 167 H LYS 21 H LYS 21 -0.055 5.085 -4.373 168 HA LYS 21 HA LYS 21 2.035 4.994 -6.242 169 HB2 LYS 21 1HB LYS 21 1.588 7.090 -4.097 170 HB3 LYS 21 2HB LYS 21 2.599 7.285 -5.522 171 HG2 LYS 21 1HG LYS 21 0.605 7.086 -6.946 172 HG3 LYS 21 2HG LYS 21 -0.395 6.930 -5.500 173 HD2 LYS 21 1HD LYS 21 0.551 9.163 -4.755 174 HD3 LYS 21 2HD LYS 21 1.235 9.314 -6.373 175 HE2 LYS 21 1HE LYS 21 -1.693 9.010 -5.704 176 HE3 LYS 21 2HE LYS 21 -0.889 10.505 -6.178 177 HZ1 LYS 21 1HZ LYS 21 -0.439 9.595 -8.330 178 HZ2 LYS 21 2HZ LYS 21 -2.088 9.400 -8.007 179 HZ3 LYS 21 3HZ LYS 21 -1.046 8.083 -7.882 180 H LYS 22 H LYS 22 2.091 5.185 -2.705 181 HA LYS 22 HA LYS 22 4.922 5.164 -2.466 182 HB2 LYS 22 1HB LYS 22 2.661 4.674 -0.552 183 HB3 LYS 22 2HB LYS 22 4.318 4.374 -0.049 184 HG2 LYS 22 1HG LYS 22 3.938 6.981 -1.335 185 HG3 LYS 22 2HG LYS 22 3.003 6.776 0.144 186 HD2 LYS 22 1HD LYS 22 5.259 7.782 0.507 187 HD3 LYS 22 2HD LYS 22 4.993 6.296 1.413 188 HE2 LYS 22 1HE LYS 22 7.225 6.303 0.479 189 HE3 LYS 22 2HE LYS 22 6.265 5.051 -0.302 190 HZ1 LYS 22 1HZ LYS 22 5.955 6.529 -2.192 191 HZ2 LYS 22 2HZ LYS 22 7.599 6.279 -1.893 192 HZ3 LYS 22 3HZ LYS 22 6.869 7.733 -1.434 193 H LEU 23 H LEU 23 2.627 2.648 -3.012 194 HA LEU 23 HA LEU 23 4.454 0.525 -2.320 195 HB2 LEU 23 1HB LEU 23 1.916 0.360 -2.284 196 HB3 LEU 23 2HB LEU 23 1.965 0.338 -4.035 197 HG LEU 23 HG LEU 23 1.725 -1.911 -2.825 198 HD11 LEU 23 1HD1 LEU 23 3.119 -3.109 -4.420 199 HD12 LEU 23 2HD1 LEU 23 3.998 -1.625 -4.791 200 HD13 LEU 23 3HD1 LEU 23 2.289 -1.763 -5.201 201 HD21 LEU 23 1HD2 LEU 23 3.405 -1.510 -1.095 202 HD22 LEU 23 2HD2 LEU 23 4.668 -1.471 -2.326 203 HD23 LEU 23 3HD2 LEU 23 3.772 -2.959 -2.031 204 H GLU 24 H GLU 24 3.462 2.260 -5.233 205 HA GLU 24 HA GLU 24 4.898 0.684 -7.094 206 HB2 GLU 24 1HB GLU 24 4.144 3.618 -7.259 207 HB3 GLU 24 2HB GLU 24 4.704 2.637 -8.605 208 HG2 GLU 24 1HG GLU 24 2.130 2.343 -7.076 209 HG3 GLU 24 2HG GLU 24 2.332 2.854 -8.748 210 H LYS 25 H LYS 25 5.771 3.390 -5.047 211 HA LYS 25 HA LYS 25 8.591 2.797 -5.554 212 HB2 LYS 25 1HB LYS 25 9.074 5.292 -5.488 213 HB3 LYS 25 2HB LYS 25 8.312 4.687 -6.952 214 HG2 LYS 25 1HG LYS 25 6.104 5.452 -5.955 215 HG3 LYS 25 2HG LYS 25 7.063 6.296 -4.738 216 HD2 LYS 25 1HD LYS 25 7.498 6.710 -7.693 217 HD3 LYS 25 2HD LYS 25 6.305 7.636 -6.788 218 HE2 LYS 25 1HE LYS 25 8.420 8.856 -7.021 219 HE3 LYS 25 2HE LYS 25 8.045 8.515 -5.335 220 HZ1 LYS 25 1HZ LYS 25 10.409 8.154 -6.055 221 HZ2 LYS 25 2HZ LYS 25 9.876 6.809 -6.925 222 HZ3 LYS 25 3HZ LYS 25 9.686 6.865 -5.246 223 H CYS 26 H CYS 26 8.776 1.784 -3.635 224 HA CYS 26 HA CYS 26 7.889 3.103 -1.176 225 HB2 CYS 26 2HB CYS 26 8.336 0.907 -0.124 226 HB3 CYS 26 1HB CYS 26 7.232 0.773 -1.491 227 H GLN 27 H GLN 27 10.791 2.087 -2.850 228 HA GLN 27 HA GLN 27 12.664 2.410 -0.776 229 HB2 GLN 27 1HB GLN 27 13.144 1.356 -2.991 230 HB3 GLN 27 2HB GLN 27 13.063 2.946 -3.738 231 HG2 GLN 27 1HG GLN 27 15.354 2.449 -3.454 232 HG3 GLN 27 2HG GLN 27 14.950 3.638 -2.216 233 HE21 GLN 27 1HE2 GLN 27 16.189 -0.089 -1.226 234 HE22 GLN 27 2HE2 GLN 27 15.851 0.361 -2.859 235 H ALA 28 H ALA 28 11.032 4.642 -2.873 236 HA ALA 28 HA ALA 28 11.913 6.871 -1.207 237 HB1 ALA 28 1HB ALA 28 12.074 6.912 -4.233 238 HB2 ALA 28 2HB ALA 28 13.446 6.896 -3.124 239 HB3 ALA 28 3HB ALA 28 12.363 8.287 -3.165 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 11.737 5.430 8.663 2 H2 ALA 1 2H ALA 1 11.326 6.443 7.376 3 H3 ALA 1 3H ALA 1 12.888 6.476 8.010 4 HA ALA 1 HA ALA 1 12.836 5.299 5.921 5 HB1 ALA 1 1HB ALA 1 13.970 3.265 6.654 6 HB2 ALA 1 2HB ALA 1 13.328 3.476 8.283 7 HB3 ALA 1 3HB ALA 1 14.477 4.644 7.630 8 H GLU 2 H GLU 2 11.554 4.267 4.540 9 HA GLU 2 HA GLU 2 9.114 3.014 5.494 10 HB2 GLU 2 1HB GLU 2 10.093 3.497 2.664 11 HB3 GLU 2 2HB GLU 2 8.480 2.960 3.116 12 HG2 GLU 2 1HG GLU 2 9.736 5.630 3.728 13 HG3 GLU 2 2HG GLU 2 8.436 5.304 2.583 14 H ASP 3 H ASP 3 8.438 0.915 4.780 15 HA ASP 3 HA ASP 3 10.571 -0.904 3.870 16 HB2 ASP 3 1HB ASP 3 10.311 -1.151 6.329 17 HB3 ASP 3 2HB ASP 3 8.599 -1.496 6.105 18 H CYS 4 H CYS 4 9.917 -1.914 2.069 19 HA CYS 4 HA CYS 4 7.472 -1.332 0.876 20 HB2 CYS 4 2HB CYS 4 9.515 -3.455 0.228 21 HB3 CYS 4 1HB CYS 4 8.122 -3.108 -0.793 22 H GLU 5 H GLU 5 8.455 -4.269 2.618 23 HA GLU 5 HA GLU 5 6.148 -5.770 1.974 24 HB2 GLU 5 1HB GLU 5 8.129 -6.874 2.838 25 HB3 GLU 5 2HB GLU 5 8.010 -5.980 4.349 26 HG2 GLU 5 1HG GLU 5 5.958 -7.124 4.916 27 HG3 GLU 5 2HG GLU 5 5.949 -7.942 3.353 28 H ARG 6 H ARG 6 6.927 -3.657 4.705 29 HA ARG 6 HA ARG 6 4.530 -4.057 6.142 30 HB2 ARG 6 1HB ARG 6 6.383 -1.662 6.089 31 HB3 ARG 6 2HB ARG 6 5.107 -1.914 7.274 32 HG2 ARG 6 1HG ARG 6 7.501 -3.707 6.863 33 HG3 ARG 6 2HG ARG 6 7.303 -2.525 8.159 34 HD2 ARG 6 1HD ARG 6 5.438 -3.742 9.062 35 HD3 ARG 6 2HD ARG 6 5.430 -4.845 7.686 36 HE ARG 6 HE ARG 6 7.805 -5.407 8.565 37 HH11 ARG 6 1HH1 ARG 6 5.047 -4.603 10.561 38 HH12 ARG 6 2HH1 ARG 6 5.523 -5.632 11.870 39 HH21 ARG 6 1HH2 ARG 6 8.458 -6.754 10.304 40 HH22 ARG 6 2HH2 ARG 6 7.467 -6.857 11.728 41 H ILE 7 H ILE 7 5.458 -1.665 3.691 42 HA ILE 7 HA ILE 7 3.047 -0.187 3.761 43 HB ILE 7 HB ILE 7 5.009 -0.481 1.471 44 HG12 ILE 7 1HG1 ILE 7 4.814 1.636 3.637 45 HG13 ILE 7 2HG1 ILE 7 6.039 0.377 3.551 46 HG21 ILE 7 1HG2 ILE 7 2.845 0.377 0.713 47 HG22 ILE 7 2HG2 ILE 7 4.078 1.636 0.646 48 HG23 ILE 7 3HG2 ILE 7 2.896 1.628 1.956 49 HD11 ILE 7 1HD1 ILE 7 6.863 1.327 1.455 50 HD12 ILE 7 2HD1 ILE 7 6.909 2.498 2.773 51 HD13 ILE 7 3HD1 ILE 7 5.638 2.594 1.553 52 H ARG 8 H ARG 8 4.095 -2.967 1.811 53 HA ARG 8 HA ARG 8 1.890 -3.123 0.091 54 HB2 ARG 8 1HB ARG 8 3.740 -5.243 1.170 55 HB3 ARG 8 2HB ARG 8 2.427 -5.651 0.075 56 HG2 ARG 8 1HG ARG 8 3.438 -4.004 -1.544 57 HG3 ARG 8 2HG ARG 8 4.828 -3.921 -0.457 58 HD2 ARG 8 1HD ARG 8 3.791 -6.353 -1.907 59 HD3 ARG 8 2HD ARG 8 5.300 -5.497 -2.219 60 HE ARG 8 HE ARG 8 4.706 -7.148 0.152 61 HH11 ARG 8 1HH1 ARG 8 7.032 -5.559 -1.937 62 HH12 ARG 8 2HH1 ARG 8 8.404 -6.319 -1.193 63 HH21 ARG 8 1HH2 ARG 8 6.496 -8.194 1.084 64 HH22 ARG 8 2HH2 ARG 8 8.099 -7.838 0.513 65 H LYS 9 H LYS 9 2.456 -4.813 3.190 66 HA LYS 9 HA LYS 9 -0.084 -6.040 3.267 67 HB2 LYS 9 1HB LYS 9 1.936 -6.747 4.596 68 HB3 LYS 9 2HB LYS 9 1.671 -5.357 5.640 69 HG2 LYS 9 1HG LYS 9 0.777 -7.382 6.652 70 HG3 LYS 9 2HG LYS 9 -0.524 -6.246 6.279 71 HD2 LYS 9 1HD LYS 9 -1.006 -7.518 4.206 72 HD3 LYS 9 2HD LYS 9 0.256 -8.672 4.641 73 HE2 LYS 9 1HE LYS 9 -2.216 -8.090 6.277 74 HE3 LYS 9 2HE LYS 9 -2.005 -9.478 5.210 75 HZ1 LYS 9 1HZ LYS 9 -0.407 -8.874 7.639 76 HZ2 LYS 9 2HZ LYS 9 -0.118 -10.164 6.587 77 HZ3 LYS 9 3HZ LYS 9 -1.556 -10.103 7.467 78 H GLU 10 H GLU 10 1.079 -2.939 4.462 79 HA GLU 10 HA GLU 10 -1.197 -2.246 5.962 80 HB2 GLU 10 1HB GLU 10 0.982 -1.122 6.214 81 HB3 GLU 10 2HB GLU 10 0.839 -0.470 4.584 82 HG2 GLU 10 1HG GLU 10 -1.039 0.855 5.212 83 HG3 GLU 10 2HG GLU 10 -1.101 0.096 6.801 84 H LEU 11 H LEU 11 -0.327 -1.921 2.570 85 HA LEU 11 HA LEU 11 -2.570 -0.303 1.842 86 HB2 LEU 11 1HB LEU 11 -0.401 -0.538 0.556 87 HB3 LEU 11 2HB LEU 11 -0.932 -2.131 0.065 88 HG LEU 11 HG LEU 11 -1.220 -0.264 -1.634 89 HD11 LEU 11 1HD1 LEU 11 -2.398 -2.396 -1.861 90 HD12 LEU 11 2HD1 LEU 11 -3.378 -1.049 -2.439 91 HD13 LEU 11 3HD1 LEU 11 -3.721 -1.780 -0.870 92 HD21 LEU 11 1HD2 LEU 11 -1.997 1.469 -0.098 93 HD22 LEU 11 2HD2 LEU 11 -3.469 0.549 0.213 94 HD23 LEU 11 3HD2 LEU 11 -3.157 1.198 -1.397 95 H GLU 12 H GLU 12 -1.854 -3.740 1.924 96 HA GLU 12 HA GLU 12 -4.210 -4.719 0.756 97 HB2 GLU 12 1HB GLU 12 -2.424 -5.934 2.878 98 HB3 GLU 12 2HB GLU 12 -3.701 -6.809 2.043 99 HG2 GLU 12 1HG GLU 12 -1.297 -5.556 0.728 100 HG3 GLU 12 2HG GLU 12 -1.479 -7.265 1.114 101 H LYS 13 H LYS 13 -3.463 -3.706 4.040 102 HA LYS 13 HA LYS 13 -5.995 -4.583 5.100 103 HB2 LYS 13 1HB LYS 13 -3.988 -4.532 6.519 104 HB3 LYS 13 2HB LYS 13 -3.861 -2.795 6.298 105 HG2 LYS 13 1HG LYS 13 -4.813 -2.987 8.400 106 HG3 LYS 13 2HG LYS 13 -6.209 -2.692 7.368 107 HD2 LYS 13 1HD LYS 13 -5.315 -5.446 8.252 108 HD3 LYS 13 2HD LYS 13 -6.520 -4.486 9.108 109 HE2 LYS 13 1HE LYS 13 -6.724 -5.496 6.265 110 HE3 LYS 13 2HE LYS 13 -7.592 -6.127 7.662 111 HZ1 LYS 13 1HZ LYS 13 -8.977 -4.657 6.345 112 HZ2 LYS 13 2HZ LYS 13 -7.878 -3.388 6.550 113 HZ3 LYS 13 3HZ LYS 13 -8.715 -4.000 7.881 114 H ASN 14 H ASN 14 -4.530 -1.504 4.182 115 HA ASN 14 HA ASN 14 -7.183 -0.220 4.338 116 HB2 ASN 14 1HB ASN 14 -4.490 1.042 4.942 117 HB3 ASN 14 2HB ASN 14 -6.029 1.894 4.923 118 HD21 ASN 14 1HD2 ASN 14 -4.940 0.842 8.393 119 HD22 ASN 14 2HD2 ASN 14 -4.086 1.574 7.079 120 HA PRO 15 HA PRO 15 -5.986 0.166 -0.047 121 HB2 PRO 15 2HB PRO 15 -8.816 0.904 -0.385 122 HB3 PRO 15 1HB PRO 15 -7.912 -0.421 -1.123 123 HG2 PRO 15 2HG PRO 15 -9.805 -0.834 0.763 124 HG3 PRO 15 1HG PRO 15 -8.378 -1.874 0.608 125 HD2 PRO 15 2HD PRO 15 -8.915 0.333 2.564 126 HD3 PRO 15 1HD PRO 15 -8.137 -1.244 2.828 127 H ASN 16 H ASN 16 -4.983 1.999 -0.595 128 HA ASN 16 HA ASN 16 -6.427 4.518 -0.574 129 HB2 ASN 16 1HB ASN 16 -5.437 4.540 1.647 130 HB3 ASN 16 2HB ASN 16 -3.859 4.126 0.988 131 HD21 ASN 16 1HD2 ASN 16 -5.252 7.948 0.812 132 HD22 ASN 16 2HD2 ASN 16 -6.300 6.626 1.206 133 H ASP 17 H ASP 17 -5.957 5.683 -2.300 134 HA ASP 17 HA ASP 17 -4.462 4.717 -4.422 135 HB2 ASP 17 1HB ASP 17 -5.419 7.508 -3.770 136 HB3 ASP 17 2HB ASP 17 -4.594 7.126 -5.277 137 H GLU 18 H GLU 18 -3.595 7.383 -2.212 138 HA GLU 18 HA GLU 18 -1.137 8.018 -3.344 139 HB2 GLU 18 1HB GLU 18 -2.196 8.314 -0.538 140 HB3 GLU 18 2HB GLU 18 -0.581 8.861 -0.966 141 HG2 GLU 18 1HG GLU 18 -2.309 10.648 -1.004 142 HG3 GLU 18 2HG GLU 18 -1.440 10.450 -2.523 143 H ILE 19 H ILE 19 -1.739 5.900 -0.534 144 HA ILE 19 HA ILE 19 0.895 5.110 -0.091 145 HB ILE 19 HB ILE 19 -1.641 3.515 0.376 146 HG12 ILE 19 1HG1 ILE 19 -1.616 5.683 1.542 147 HG13 ILE 19 2HG1 ILE 19 -1.479 4.352 2.686 148 HG21 ILE 19 1HG2 ILE 19 1.128 3.099 1.518 149 HG22 ILE 19 2HG2 ILE 19 0.285 2.033 0.394 150 HG23 ILE 19 3HG2 ILE 19 -0.327 2.245 2.034 151 HD11 ILE 19 1HD1 ILE 19 0.783 6.083 1.709 152 HD12 ILE 19 2HD1 ILE 19 0.927 4.752 2.857 153 HD13 ILE 19 3HD1 ILE 19 -0.007 6.185 3.281 154 H LYS 20 H LYS 20 -1.578 3.682 -2.195 155 HA LYS 20 HA LYS 20 -0.073 1.456 -3.052 156 HB2 LYS 20 1HB LYS 20 -2.546 1.734 -3.324 157 HB3 LYS 20 2HB LYS 20 -2.240 2.923 -4.580 158 HG2 LYS 20 1HG LYS 20 -1.059 1.167 -5.885 159 HG3 LYS 20 2HG LYS 20 -1.516 -0.004 -4.650 160 HD2 LYS 20 1HD LYS 20 -3.079 -0.153 -6.482 161 HD3 LYS 20 2HD LYS 20 -3.906 0.540 -5.085 162 HE2 LYS 20 1HE LYS 20 -4.552 1.770 -7.048 163 HE3 LYS 20 2HE LYS 20 -3.521 2.806 -6.063 164 HZ1 LYS 20 1HZ LYS 20 -2.841 3.015 -8.313 165 HZ2 LYS 20 2HZ LYS 20 -2.769 1.343 -8.530 166 HZ3 LYS 20 3HZ LYS 20 -1.645 2.111 -7.531 167 H LYS 21 H LYS 21 -0.339 4.761 -4.270 168 HA LYS 21 HA LYS 21 1.148 4.259 -6.664 169 HB2 LYS 21 1HB LYS 21 0.245 6.807 -5.312 170 HB3 LYS 21 2HB LYS 21 1.189 6.810 -6.797 171 HG2 LYS 21 1HG LYS 21 -0.556 5.544 -7.938 172 HG3 LYS 21 2HG LYS 21 -1.496 5.468 -6.449 173 HD2 LYS 21 1HD LYS 21 -0.741 8.036 -7.864 174 HD3 LYS 21 2HD LYS 21 -2.282 7.201 -8.072 175 HE2 LYS 21 1HE LYS 21 -2.630 7.416 -5.600 176 HE3 LYS 21 2HE LYS 21 -1.192 8.430 -5.542 177 HZ1 LYS 21 1HZ LYS 21 -2.272 9.985 -7.035 178 HZ2 LYS 21 2HZ LYS 21 -3.211 9.744 -5.654 179 HZ3 LYS 21 3HZ LYS 21 -3.647 9.006 -7.110 180 H LYS 22 H LYS 22 1.988 5.273 -3.414 181 HA LYS 22 HA LYS 22 4.721 5.888 -4.090 182 HB2 LYS 22 1HB LYS 22 3.200 5.579 -1.527 183 HB3 LYS 22 2HB LYS 22 4.953 5.479 -1.475 184 HG2 LYS 22 1HG LYS 22 4.333 7.723 -0.982 185 HG3 LYS 22 2HG LYS 22 5.051 7.707 -2.594 186 HD2 LYS 22 1HD LYS 22 2.727 7.644 -3.537 187 HD3 LYS 22 2HD LYS 22 2.116 7.865 -1.894 188 HE2 LYS 22 1HE LYS 22 3.801 9.770 -3.513 189 HE3 LYS 22 2HE LYS 22 2.154 10.009 -2.932 190 HZ1 LYS 22 1HZ LYS 22 3.717 11.225 -1.575 191 HZ2 LYS 22 2HZ LYS 22 4.593 9.819 -1.247 192 HZ3 LYS 22 3HZ LYS 22 3.022 9.987 -0.653 193 H LEU 23 H LEU 23 2.938 3.099 -2.932 194 HA LEU 23 HA LEU 23 5.069 1.348 -2.440 195 HB2 LEU 23 1HB LEU 23 2.619 1.030 -1.878 196 HB3 LEU 23 2HB LEU 23 2.346 0.621 -3.556 197 HG LEU 23 HG LEU 23 2.507 -1.320 -1.929 198 HD11 LEU 23 1HD1 LEU 23 4.454 -1.344 -4.236 199 HD12 LEU 23 2HD1 LEU 23 2.721 -1.645 -4.340 200 HD13 LEU 23 3HD1 LEU 23 3.755 -2.755 -3.445 201 HD21 LEU 23 1HD2 LEU 23 4.414 -0.394 -0.627 202 HD22 LEU 23 2HD2 LEU 23 5.469 -0.726 -2.002 203 HD23 LEU 23 3HD2 LEU 23 4.664 -2.051 -1.166 204 H GLU 24 H GLU 24 3.483 2.354 -5.374 205 HA GLU 24 HA GLU 24 4.396 0.456 -7.189 206 HB2 GLU 24 1HB GLU 24 2.709 2.352 -7.530 207 HB3 GLU 24 2HB GLU 24 4.091 3.405 -7.803 208 HG2 GLU 24 1HG GLU 24 3.238 2.727 -9.921 209 HG3 GLU 24 2HG GLU 24 4.779 1.909 -9.675 210 H LYS 25 H LYS 25 6.048 3.144 -5.710 211 HA LYS 25 HA LYS 25 8.431 2.684 -7.394 212 HB2 LYS 25 1HB LYS 25 7.363 4.970 -7.483 213 HB3 LYS 25 2HB LYS 25 7.745 5.159 -5.777 214 HG2 LYS 25 1HG LYS 25 9.390 6.318 -7.099 215 HG3 LYS 25 2HG LYS 25 10.152 4.931 -6.320 216 HD2 LYS 25 1HD LYS 25 9.969 3.657 -8.412 217 HD3 LYS 25 2HD LYS 25 9.189 5.037 -9.188 218 HE2 LYS 25 1HE LYS 25 11.508 4.992 -9.828 219 HE3 LYS 25 2HE LYS 25 11.240 6.373 -8.767 220 HZ1 LYS 25 1HZ LYS 25 12.245 5.196 -6.957 221 HZ2 LYS 25 2HZ LYS 25 13.290 5.100 -8.283 222 HZ3 LYS 25 3HZ LYS 25 12.341 3.768 -7.860 223 H CYS 26 H CYS 26 7.377 1.440 -4.755 224 HA CYS 26 HA CYS 26 9.131 2.280 -2.698 225 HB2 CYS 26 2HB CYS 26 6.958 1.065 -2.327 226 HB3 CYS 26 1HB CYS 26 7.756 -0.405 -2.878 227 H GLN 27 H GLN 27 11.150 2.300 -3.527 228 HA GLN 27 HA GLN 27 12.641 -0.097 -3.134 229 HB2 GLN 27 1HB GLN 27 11.998 -0.411 -5.494 230 HB3 GLN 27 2HB GLN 27 12.637 1.181 -5.886 231 HG2 GLN 27 1HG GLN 27 14.879 0.426 -5.201 232 HG3 GLN 27 2HG GLN 27 14.214 -1.176 -4.893 233 HE21 GLN 27 1HE2 GLN 27 15.759 -0.875 -8.325 234 HE22 GLN 27 2HE2 GLN 27 16.297 -0.386 -6.756 235 H ALA 28 H ALA 28 12.723 3.102 -4.644 236 HA ALA 28 HA ALA 28 14.529 4.177 -2.711 237 HB1 ALA 28 1HB ALA 28 16.146 2.921 -4.057 238 HB2 ALA 28 2HB ALA 28 16.382 4.658 -4.251 239 HB3 ALA 28 3HB ALA 28 15.575 3.733 -5.515 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 14.907 0.786 -1.748 2 H2 ALA 1 2H ALA 1 13.730 1.668 -0.917 3 H3 ALA 1 3H ALA 1 13.787 1.716 -2.604 4 HA ALA 1 HA ALA 1 11.995 0.314 -1.904 5 HB1 ALA 1 1HB ALA 1 14.288 -1.304 -3.022 6 HB2 ALA 1 2HB ALA 1 13.200 -0.283 -3.963 7 HB3 ALA 1 3HB ALA 1 12.574 -1.710 -3.134 8 H GLU 2 H GLU 2 11.887 0.341 0.368 9 HA GLU 2 HA GLU 2 12.483 -2.220 1.570 10 HB2 GLU 2 1HB GLU 2 13.476 -1.190 3.619 11 HB3 GLU 2 2HB GLU 2 14.510 -1.074 2.204 12 HG2 GLU 2 1HG GLU 2 12.742 1.172 3.163 13 HG3 GLU 2 2HG GLU 2 14.419 0.967 3.662 14 H ASP 3 H ASP 3 11.253 -2.536 3.546 15 HA ASP 3 HA ASP 3 9.269 -2.605 4.596 16 HB2 ASP 3 1HB ASP 3 9.741 0.356 4.395 17 HB3 ASP 3 2HB ASP 3 8.251 -0.268 5.081 18 H CYS 4 H CYS 4 9.476 -2.442 1.573 19 HA CYS 4 HA CYS 4 7.097 -1.311 0.569 20 HB2 CYS 4 2HB CYS 4 8.714 -3.639 -0.507 21 HB3 CYS 4 1HB CYS 4 7.508 -2.726 -1.409 22 H GLU 5 H GLU 5 7.878 -4.400 2.034 23 HA GLU 5 HA GLU 5 5.389 -5.670 1.565 24 HB2 GLU 5 1HB GLU 5 7.535 -6.067 3.652 25 HB3 GLU 5 2HB GLU 5 6.070 -7.040 3.625 26 HG2 GLU 5 1HG GLU 5 8.040 -6.825 1.353 27 HG3 GLU 5 2HG GLU 5 7.987 -8.135 2.532 28 H ARG 6 H ARG 6 6.530 -3.438 4.012 29 HA ARG 6 HA ARG 6 4.340 -3.688 5.798 30 HB2 ARG 6 1HB ARG 6 6.570 -2.607 6.312 31 HB3 ARG 6 2HB ARG 6 6.065 -1.235 5.338 32 HG2 ARG 6 1HG ARG 6 5.203 -0.347 7.189 33 HG3 ARG 6 2HG ARG 6 3.970 -1.607 7.146 34 HD2 ARG 6 1HD ARG 6 4.984 -1.588 9.328 35 HD3 ARG 6 2HD ARG 6 5.482 -3.059 8.490 36 HE ARG 6 HE ARG 6 7.479 -1.300 7.936 37 HH11 ARG 6 1HH1 ARG 6 6.045 -2.480 10.911 38 HH12 ARG 6 2HH1 ARG 6 7.477 -2.194 11.856 39 HH21 ARG 6 1HH2 ARG 6 9.354 -0.961 9.160 40 HH22 ARG 6 2HH2 ARG 6 9.358 -1.319 10.860 41 H ILE 7 H ILE 7 5.097 -1.315 3.257 42 HA ILE 7 HA ILE 7 2.681 0.111 3.325 43 HB ILE 7 HB ILE 7 4.475 -0.363 0.926 44 HG12 ILE 7 1HG1 ILE 7 4.540 1.864 2.984 45 HG13 ILE 7 2HG1 ILE 7 5.705 0.551 2.867 46 HG21 ILE 7 1HG2 ILE 7 3.553 1.746 0.070 47 HG22 ILE 7 2HG2 ILE 7 2.478 1.844 1.465 48 HG23 ILE 7 3HG2 ILE 7 2.292 0.535 0.297 49 HD11 ILE 7 1HD1 ILE 7 5.235 2.692 0.797 50 HD12 ILE 7 2HD1 ILE 7 6.391 1.366 0.663 51 HD13 ILE 7 3HD1 ILE 7 6.594 2.591 1.914 52 H ARG 8 H ARG 8 3.711 -2.633 1.360 53 HA ARG 8 HA ARG 8 1.530 -3.182 -0.188 54 HB2 ARG 8 1HB ARG 8 3.651 -4.436 -0.214 55 HB3 ARG 8 2HB ARG 8 3.238 -5.162 1.331 56 HG2 ARG 8 1HG ARG 8 1.323 -6.283 0.289 57 HG3 ARG 8 2HG ARG 8 1.756 -5.565 -1.265 58 HD2 ARG 8 1HD ARG 8 3.907 -6.716 -1.216 59 HD3 ARG 8 2HD ARG 8 3.522 -7.401 0.360 60 HE ARG 8 HE ARG 8 1.518 -8.119 -1.482 61 HH11 ARG 8 1HH1 ARG 8 4.887 -8.791 -0.741 62 HH12 ARG 8 2HH1 ARG 8 4.835 -10.393 -1.416 63 HH21 ARG 8 1HH2 ARG 8 1.469 -10.233 -2.352 64 HH22 ARG 8 2HH2 ARG 8 2.907 -11.205 -2.318 65 H LYS 9 H LYS 9 2.086 -4.389 3.120 66 HA LYS 9 HA LYS 9 -0.353 -5.736 3.364 67 HB2 LYS 9 1HB LYS 9 1.523 -6.151 4.882 68 HB3 LYS 9 2HB LYS 9 1.358 -4.534 5.554 69 HG2 LYS 9 1HG LYS 9 -0.841 -5.090 6.435 70 HG3 LYS 9 2HG LYS 9 -0.749 -6.691 5.702 71 HD2 LYS 9 1HD LYS 9 1.103 -5.635 7.848 72 HD3 LYS 9 2HD LYS 9 -0.243 -6.742 8.107 73 HE2 LYS 9 1HE LYS 9 0.853 -8.357 6.572 74 HE3 LYS 9 2HE LYS 9 2.234 -7.267 6.464 75 HZ1 LYS 9 1HZ LYS 9 2.573 -7.501 8.833 76 HZ2 LYS 9 2HZ LYS 9 2.581 -9.022 8.091 77 HZ3 LYS 9 3HZ LYS 9 1.220 -8.513 8.963 78 H GLU 10 H GLU 10 0.575 -2.476 4.468 79 HA GLU 10 HA GLU 10 -1.906 -1.769 5.553 80 HB2 GLU 10 1HB GLU 10 0.514 -0.307 4.679 81 HB3 GLU 10 2HB GLU 10 -0.962 0.645 4.694 82 HG2 GLU 10 1HG GLU 10 0.248 0.873 6.786 83 HG3 GLU 10 2HG GLU 10 -1.317 0.111 7.041 84 H LEU 11 H LEU 11 -0.808 -1.775 2.219 85 HA LEU 11 HA LEU 11 -3.021 -0.284 1.189 86 HB2 LEU 11 1HB LEU 11 -0.866 -0.524 -0.009 87 HB3 LEU 11 2HB LEU 11 -1.196 -2.232 -0.233 88 HG LEU 11 HG LEU 11 -3.134 -1.685 -1.645 89 HD11 LEU 11 1HD1 LEU 11 -3.563 0.612 -2.351 90 HD12 LEU 11 2HD1 LEU 11 -2.326 1.189 -1.236 91 HD13 LEU 11 3HD1 LEU 11 -3.784 0.420 -0.610 92 HD21 LEU 11 1HD2 LEU 11 -0.609 -0.271 -2.504 93 HD22 LEU 11 2HD2 LEU 11 -1.917 -0.790 -3.566 94 HD23 LEU 11 3HD2 LEU 11 -0.959 -1.991 -2.702 95 H GLU 12 H GLU 12 -2.303 -3.707 1.650 96 HA GLU 12 HA GLU 12 -4.726 -4.675 0.507 97 HB2 GLU 12 1HB GLU 12 -2.807 -5.944 2.479 98 HB3 GLU 12 2HB GLU 12 -4.157 -6.788 1.732 99 HG2 GLU 12 1HG GLU 12 -3.171 -6.391 -0.484 100 HG3 GLU 12 2HG GLU 12 -1.806 -5.576 0.280 101 H LYS 13 H LYS 13 -3.804 -3.461 3.625 102 HA LYS 13 HA LYS 13 -6.224 -4.306 4.965 103 HB2 LYS 13 1HB LYS 13 -3.949 -2.483 5.767 104 HB3 LYS 13 2HB LYS 13 -5.338 -2.788 6.802 105 HG2 LYS 13 1HG LYS 13 -3.502 -4.940 5.760 106 HG3 LYS 13 2HG LYS 13 -3.324 -4.159 7.332 107 HD2 LYS 13 1HD LYS 13 -5.753 -5.711 6.409 108 HD3 LYS 13 2HD LYS 13 -4.499 -6.322 7.489 109 HE2 LYS 13 1HE LYS 13 -6.293 -3.953 8.041 110 HE3 LYS 13 2HE LYS 13 -6.486 -5.567 8.725 111 HZ1 LYS 13 1HZ LYS 13 -4.129 -3.802 9.139 112 HZ2 LYS 13 2HZ LYS 13 -4.353 -5.335 9.817 113 HZ3 LYS 13 3HZ LYS 13 -5.372 -4.060 10.259 114 H ASN 14 H ASN 14 -5.048 -1.510 3.267 115 HA ASN 14 HA ASN 14 -7.687 -0.278 3.379 116 HB2 ASN 14 1HB ASN 14 -6.517 0.735 5.284 117 HB3 ASN 14 2HB ASN 14 -5.161 1.164 4.247 118 HD21 ASN 14 1HD2 ASN 14 -8.543 3.418 4.302 119 HD22 ASN 14 2HD2 ASN 14 -8.479 1.874 5.072 120 HA PRO 15 HA PRO 15 -5.986 -0.125 -0.818 121 HB2 PRO 15 2HB PRO 15 -8.352 -0.047 -2.122 122 HB3 PRO 15 1HB PRO 15 -7.721 -1.539 -1.411 123 HG2 PRO 15 2HG PRO 15 -9.788 0.349 -0.329 124 HG3 PRO 15 1HG PRO 15 -9.791 -1.425 -0.345 125 HD2 PRO 15 2HD PRO 15 -9.095 0.056 1.845 126 HD3 PRO 15 1HD PRO 15 -8.459 -1.570 1.521 127 H ASN 16 H ASN 16 -5.311 2.075 0.108 128 HA ASN 16 HA ASN 16 -6.974 4.272 -0.908 129 HB2 ASN 16 1HB ASN 16 -6.249 4.511 1.406 130 HB3 ASN 16 2HB ASN 16 -4.568 4.280 0.937 131 HD21 ASN 16 1HD2 ASN 16 -4.463 7.792 1.121 132 HD22 ASN 16 2HD2 ASN 16 -4.114 6.310 1.943 133 H ASP 17 H ASP 17 -6.393 5.471 -2.613 134 HA ASP 17 HA ASP 17 -4.588 4.501 -4.500 135 HB2 ASP 17 1HB ASP 17 -5.648 7.330 -4.252 136 HB3 ASP 17 2HB ASP 17 -4.931 6.624 -5.697 137 H GLU 18 H GLU 18 -4.161 6.821 -1.930 138 HA GLU 18 HA GLU 18 -1.683 7.907 -2.717 139 HB2 GLU 18 1HB GLU 18 -3.399 8.533 -0.789 140 HB3 GLU 18 2HB GLU 18 -2.361 7.502 0.179 141 HG2 GLU 18 1HG GLU 18 -1.508 9.971 -1.326 142 HG3 GLU 18 2HG GLU 18 -1.773 9.847 0.410 143 H ILE 19 H ILE 19 -2.447 5.276 -0.435 144 HA ILE 19 HA ILE 19 0.202 4.496 0.103 145 HB ILE 19 HB ILE 19 -2.283 2.754 0.183 146 HG12 ILE 19 1HG1 ILE 19 -2.608 4.778 1.524 147 HG13 ILE 19 2HG1 ILE 19 -2.409 3.383 2.577 148 HG21 ILE 19 1HG2 ILE 19 0.382 2.469 1.583 149 HG22 ILE 19 2HG2 ILE 19 -0.247 1.440 0.295 150 HG23 ILE 19 3HG2 ILE 19 -1.037 1.459 1.873 151 HD11 ILE 19 1HD1 ILE 19 -1.220 5.311 3.435 152 HD12 ILE 19 2HD1 ILE 19 -0.292 5.429 1.940 153 HD13 ILE 19 3HD1 ILE 19 -0.090 4.030 2.996 154 H LYS 20 H LYS 20 -2.104 3.524 -2.364 155 HA LYS 20 HA LYS 20 -0.670 1.462 -3.601 156 HB2 LYS 20 1HB LYS 20 -2.969 1.857 -4.193 157 HB3 LYS 20 2HB LYS 20 -2.625 3.509 -4.677 158 HG2 LYS 20 1HG LYS 20 -2.978 2.169 -6.638 159 HG3 LYS 20 2HG LYS 20 -1.284 2.656 -6.568 160 HD2 LYS 20 1HD LYS 20 -0.667 0.451 -5.722 161 HD3 LYS 20 2HD LYS 20 -2.364 -0.038 -5.711 162 HE2 LYS 20 1HE LYS 20 -0.753 0.727 -8.156 163 HE3 LYS 20 2HE LYS 20 -1.198 -0.913 -7.684 164 HZ1 LYS 20 1HZ LYS 20 -3.096 1.260 -8.403 165 HZ2 LYS 20 2HZ LYS 20 -3.528 -0.310 -7.949 166 HZ3 LYS 20 3HZ LYS 20 -2.679 -0.051 -9.387 167 H LYS 21 H LYS 21 -0.650 4.967 -4.136 168 HA LYS 21 HA LYS 21 1.189 5.042 -6.264 169 HB2 LYS 21 1HB LYS 21 -0.318 6.894 -4.769 170 HB3 LYS 21 2HB LYS 21 1.349 7.393 -4.558 171 HG2 LYS 21 1HG LYS 21 0.793 6.801 -7.340 172 HG3 LYS 21 2HG LYS 21 -0.349 7.981 -6.703 173 HD2 LYS 21 1HD LYS 21 1.452 9.244 -7.559 174 HD3 LYS 21 2HD LYS 21 1.670 9.247 -5.809 175 HE2 LYS 21 1HE LYS 21 3.805 8.873 -6.839 176 HE3 LYS 21 2HE LYS 21 3.292 7.371 -6.069 177 HZ1 LYS 21 1HZ LYS 21 4.211 7.012 -8.286 178 HZ2 LYS 21 2HZ LYS 21 3.014 7.993 -8.958 179 HZ3 LYS 21 3HZ LYS 21 2.592 6.536 -8.213 180 H LYS 22 H LYS 22 1.592 5.081 -2.773 181 HA LYS 22 HA LYS 22 4.386 5.587 -2.754 182 HB2 LYS 22 1HB LYS 22 2.567 4.283 -0.716 183 HB3 LYS 22 2HB LYS 22 4.261 4.650 -0.414 184 HG2 LYS 22 1HG LYS 22 2.184 6.709 -1.155 185 HG3 LYS 22 2HG LYS 22 2.686 6.337 0.498 186 HD2 LYS 22 1HD LYS 22 4.961 7.019 -0.006 187 HD3 LYS 22 2HD LYS 22 4.535 7.292 -1.697 188 HE2 LYS 22 1HE LYS 22 4.663 9.369 -0.313 189 HE3 LYS 22 2HE LYS 22 3.113 9.125 -1.118 190 HZ1 LYS 22 1HZ LYS 22 2.926 9.852 1.222 191 HZ2 LYS 22 2HZ LYS 22 3.647 8.403 1.713 192 HZ3 LYS 22 3HZ LYS 22 2.153 8.379 0.919 193 H LEU 23 H LEU 23 2.476 2.595 -2.673 194 HA LEU 23 HA LEU 23 4.695 0.845 -2.415 195 HB2 LEU 23 1HB LEU 23 2.279 0.297 -1.913 196 HB3 LEU 23 2HB LEU 23 2.006 0.198 -3.642 197 HG LEU 23 HG LEU 23 3.653 -1.650 -3.783 198 HD11 LEU 23 1HD1 LEU 23 3.732 -1.433 -0.774 199 HD12 LEU 23 2HD1 LEU 23 5.057 -1.070 -1.880 200 HD13 LEU 23 3HD1 LEU 23 4.459 -2.722 -1.734 201 HD21 LEU 23 1HD2 LEU 23 1.282 -2.168 -3.548 202 HD22 LEU 23 2HD2 LEU 23 1.429 -2.110 -1.790 203 HD23 LEU 23 3HD2 LEU 23 2.269 -3.363 -2.704 204 H GLU 24 H GLU 24 3.172 2.418 -5.100 205 HA GLU 24 HA GLU 24 4.115 0.994 -7.287 206 HB2 GLU 24 1HB GLU 24 2.580 2.878 -7.499 207 HB3 GLU 24 2HB GLU 24 3.816 3.985 -6.918 208 HG2 GLU 24 1HG GLU 24 5.161 3.146 -8.988 209 HG3 GLU 24 2HG GLU 24 3.581 2.632 -9.576 210 H LYS 25 H LYS 25 5.703 3.664 -5.539 211 HA LYS 25 HA LYS 25 8.130 3.420 -7.073 212 HB2 LYS 25 1HB LYS 25 7.304 5.596 -6.208 213 HB3 LYS 25 2HB LYS 25 7.568 5.026 -4.566 214 HG2 LYS 25 1HG LYS 25 9.946 4.947 -4.911 215 HG3 LYS 25 2HG LYS 25 9.753 5.302 -6.628 216 HD2 LYS 25 1HD LYS 25 10.454 7.294 -5.412 217 HD3 LYS 25 2HD LYS 25 8.831 7.509 -6.071 218 HE2 LYS 25 1HE LYS 25 8.876 8.387 -3.836 219 HE3 LYS 25 2HE LYS 25 7.914 6.911 -3.831 220 HZ1 LYS 25 1HZ LYS 25 9.392 6.989 -1.936 221 HZ2 LYS 25 2HZ LYS 25 10.738 7.156 -2.945 222 HZ3 LYS 25 3HZ LYS 25 9.844 5.721 -2.960 223 H CYS 26 H CYS 26 6.824 1.908 -4.340 224 HA CYS 26 HA CYS 26 9.439 1.004 -3.355 225 HB2 CYS 26 2HB CYS 26 7.312 1.767 -1.907 226 HB3 CYS 26 1HB CYS 26 6.874 0.076 -2.118 227 H GLN 27 H GLN 27 8.374 0.243 -5.954 228 HA GLN 27 HA GLN 27 7.371 -2.400 -5.877 229 HB2 GLN 27 1HB GLN 27 8.028 -2.461 -8.294 230 HB3 GLN 27 2HB GLN 27 7.014 -1.094 -7.853 231 HG2 GLN 27 1HG GLN 27 9.061 0.322 -7.746 232 HG3 GLN 27 2HG GLN 27 9.991 -1.056 -8.334 233 HE21 GLN 27 1HE2 GLN 27 9.540 0.333 -11.501 234 HE22 GLN 27 2HE2 GLN 27 10.625 -0.011 -10.200 235 H ALA 28 H ALA 28 8.725 -3.375 -4.320 236 HA ALA 28 HA ALA 28 11.502 -3.714 -4.560 237 HB1 ALA 28 1HB ALA 28 9.483 -5.513 -3.207 238 HB2 ALA 28 2HB ALA 28 10.301 -4.134 -2.471 239 HB3 ALA 28 3HB ALA 28 11.230 -5.553 -2.958 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 9.971 3.604 -2.205 2 H2 ALA 1 2H ALA 1 11.072 4.486 -1.283 3 H3 ALA 1 3H ALA 1 9.498 5.062 -1.490 4 HA ALA 1 HA ALA 1 9.766 4.131 0.700 5 HB1 ALA 1 1HB ALA 1 7.891 2.555 0.653 6 HB2 ALA 1 2HB ALA 1 8.044 2.424 -1.099 7 HB3 ALA 1 3HB ALA 1 7.579 3.958 -0.367 8 H GLU 2 H GLU 2 10.497 2.496 2.045 9 HA GLU 2 HA GLU 2 12.243 0.516 0.733 10 HB2 GLU 2 1HB GLU 2 12.411 1.426 3.610 11 HB3 GLU 2 2HB GLU 2 13.628 0.567 2.678 12 HG2 GLU 2 1HG GLU 2 12.768 3.435 2.368 13 HG3 GLU 2 2HG GLU 2 14.320 2.839 2.949 14 H ASP 3 H ASP 3 9.527 0.894 2.849 15 HA ASP 3 HA ASP 3 9.707 -1.864 3.815 16 HB2 ASP 3 1HB ASP 3 7.777 0.353 4.553 17 HB3 ASP 3 2HB ASP 3 7.790 -1.254 5.268 18 H CYS 4 H CYS 4 9.321 -2.770 1.717 19 HA CYS 4 HA CYS 4 7.000 -2.189 0.213 20 HB2 CYS 4 2HB CYS 4 8.854 -4.574 0.107 21 HB3 CYS 4 1HB CYS 4 7.601 -4.227 -1.084 22 H GLU 5 H GLU 5 7.759 -5.002 2.333 23 HA GLU 5 HA GLU 5 5.270 -6.259 1.820 24 HB2 GLU 5 1HB GLU 5 5.766 -7.775 3.609 25 HB3 GLU 5 2HB GLU 5 7.270 -7.452 2.758 26 HG2 GLU 5 1HG GLU 5 8.056 -6.048 4.506 27 HG3 GLU 5 2HG GLU 5 6.478 -6.029 5.289 28 H ARG 6 H ARG 6 6.383 -4.047 4.347 29 HA ARG 6 HA ARG 6 4.095 -4.099 5.961 30 HB2 ARG 6 1HB ARG 6 6.110 -3.029 6.775 31 HB3 ARG 6 2HB ARG 6 6.063 -1.852 5.464 32 HG2 ARG 6 1HG ARG 6 3.916 -0.997 6.360 33 HG3 ARG 6 2HG ARG 6 4.076 -2.107 7.719 34 HD2 ARG 6 1HD ARG 6 6.070 -0.980 8.471 35 HD3 ARG 6 2HD ARG 6 6.080 0.047 7.032 36 HE ARG 6 HE ARG 6 3.629 0.465 8.198 37 HH11 ARG 6 1HH1 ARG 6 6.974 0.879 9.192 38 HH12 ARG 6 2HH1 ARG 6 6.606 2.163 10.295 39 HH21 ARG 6 1HH2 ARG 6 3.166 2.144 9.648 40 HH22 ARG 6 2HH2 ARG 6 4.445 2.881 10.560 41 H ILE 7 H ILE 7 4.996 -1.659 3.504 42 HA ILE 7 HA ILE 7 2.616 -0.203 3.645 43 HB ILE 7 HB ILE 7 4.590 -0.486 1.368 44 HG12 ILE 7 1HG1 ILE 7 4.176 1.687 3.445 45 HG13 ILE 7 2HG1 ILE 7 5.475 0.498 3.450 46 HG21 ILE 7 1HG2 ILE 7 2.445 0.226 0.448 47 HG22 ILE 7 2HG2 ILE 7 3.602 1.555 0.416 48 HG23 ILE 7 3HG2 ILE 7 2.339 1.513 1.649 49 HD11 ILE 7 1HD1 ILE 7 6.337 1.441 1.367 50 HD12 ILE 7 2HD1 ILE 7 6.254 2.647 2.651 51 HD13 ILE 7 3HD1 ILE 7 5.038 2.635 1.375 52 H ARG 8 H ARG 8 3.448 -3.013 1.664 53 HA ARG 8 HA ARG 8 1.150 -2.975 0.013 54 HB2 ARG 8 1HB ARG 8 3.204 -4.338 -0.393 55 HB3 ARG 8 2HB ARG 8 2.731 -5.389 0.929 56 HG2 ARG 8 1HG ARG 8 0.956 -6.306 -0.241 57 HG3 ARG 8 2HG ARG 8 0.847 -4.936 -1.350 58 HD2 ARG 8 1HD ARG 8 1.783 -7.024 -2.369 59 HD3 ARG 8 2HD ARG 8 2.824 -5.609 -2.507 60 HE ARG 8 HE ARG 8 3.285 -7.516 -0.320 61 HH11 ARG 8 1HH1 ARG 8 4.319 -6.149 -3.379 62 HH12 ARG 8 2HH1 ARG 8 5.957 -6.699 -3.209 63 HH21 ARG 8 1HH2 ARG 8 5.451 -8.266 -0.128 64 HH22 ARG 8 2HH2 ARG 8 6.595 -7.880 -1.378 65 H LYS 9 H LYS 9 1.860 -4.694 3.028 66 HA LYS 9 HA LYS 9 -0.642 -5.952 3.302 67 HB2 LYS 9 1HB LYS 9 1.427 -5.166 5.361 68 HB3 LYS 9 2HB LYS 9 -0.008 -6.105 5.756 69 HG2 LYS 9 1HG LYS 9 2.024 -6.948 3.692 70 HG3 LYS 9 2HG LYS 9 2.080 -7.444 5.384 71 HD2 LYS 9 1HD LYS 9 0.043 -8.652 5.199 72 HD3 LYS 9 2HD LYS 9 -0.341 -7.912 3.644 73 HE2 LYS 9 1HE LYS 9 0.455 -10.279 3.492 74 HE3 LYS 9 2HE LYS 9 1.403 -9.129 2.551 75 HZ1 LYS 9 1HZ LYS 9 2.165 -10.133 5.238 76 HZ2 LYS 9 2HZ LYS 9 3.094 -9.147 4.226 77 HZ3 LYS 9 3HZ LYS 9 2.762 -10.739 3.779 78 H GLU 10 H GLU 10 0.537 -2.822 4.435 79 HA GLU 10 HA GLU 10 -1.833 -2.151 5.875 80 HB2 GLU 10 1HB GLU 10 0.335 -0.328 4.800 81 HB3 GLU 10 2HB GLU 10 -0.887 0.112 5.990 82 HG2 GLU 10 1HG GLU 10 0.035 -1.634 7.499 83 HG3 GLU 10 2HG GLU 10 1.324 -1.906 6.328 84 H LEU 11 H LEU 11 -0.793 -1.836 2.581 85 HA LEU 11 HA LEU 11 -2.689 0.109 1.745 86 HB2 LEU 11 1HB LEU 11 -0.702 -0.296 0.440 87 HB3 LEU 11 2HB LEU 11 -1.125 -1.986 0.235 88 HG LEU 11 HG LEU 11 -3.086 -1.304 -1.127 89 HD11 LEU 11 1HD1 LEU 11 -3.463 0.910 -0.203 90 HD12 LEU 11 2HD1 LEU 11 -3.235 1.003 -1.948 91 HD13 LEU 11 3HD1 LEU 11 -1.925 1.470 -0.861 92 HD21 LEU 11 1HD2 LEU 11 -1.022 -1.939 -2.227 93 HD22 LEU 11 2HD2 LEU 11 -0.402 -0.293 -2.080 94 HD23 LEU 11 3HD2 LEU 11 -1.795 -0.627 -3.114 95 H GLU 12 H GLU 12 -2.588 -3.430 1.517 96 HA GLU 12 HA GLU 12 -5.075 -3.670 0.207 97 HB2 GLU 12 1HB GLU 12 -3.533 -5.694 1.839 98 HB3 GLU 12 2HB GLU 12 -4.907 -6.072 0.806 99 HG2 GLU 12 1HG GLU 12 -2.290 -4.884 -0.121 100 HG3 GLU 12 2HG GLU 12 -2.766 -6.574 -0.274 101 H LYS 13 H LYS 13 -4.203 -3.609 3.627 102 HA LYS 13 HA LYS 13 -6.897 -4.263 4.471 103 HB2 LYS 13 1HB LYS 13 -6.107 -3.955 6.735 104 HB3 LYS 13 2HB LYS 13 -4.925 -4.901 5.844 105 HG2 LYS 13 1HG LYS 13 -3.524 -2.926 5.578 106 HG3 LYS 13 2HG LYS 13 -4.721 -1.948 6.424 107 HD2 LYS 13 1HD LYS 13 -2.941 -2.492 7.953 108 HD3 LYS 13 2HD LYS 13 -4.388 -3.371 8.441 109 HE2 LYS 13 1HE LYS 13 -2.225 -4.607 6.740 110 HE3 LYS 13 2HE LYS 13 -2.190 -4.651 8.501 111 HZ1 LYS 13 1HZ LYS 13 -4.383 -5.765 8.417 112 HZ2 LYS 13 2HZ LYS 13 -3.144 -6.663 7.703 113 HZ3 LYS 13 3HZ LYS 13 -4.253 -5.848 6.730 114 H ASN 14 H ASN 14 -5.243 -1.448 3.493 115 HA ASN 14 HA ASN 14 -7.520 0.218 4.247 116 HB2 ASN 14 1HB ASN 14 -6.003 0.557 6.112 117 HB3 ASN 14 2HB ASN 14 -4.653 0.837 5.019 118 HD21 ASN 14 1HD2 ASN 14 -5.293 4.215 4.599 119 HD22 ASN 14 2HD2 ASN 14 -4.319 2.837 4.208 120 HA PRO 15 HA PRO 15 -6.181 0.572 -0.114 121 HB2 PRO 15 2HB PRO 15 -8.982 1.380 -0.556 122 HB3 PRO 15 1HB PRO 15 -8.079 0.035 -1.257 123 HG2 PRO 15 2HG PRO 15 -10.024 -0.354 0.561 124 HG3 PRO 15 1HG PRO 15 -8.585 -1.389 0.492 125 HD2 PRO 15 2HD PRO 15 -9.201 0.881 2.358 126 HD3 PRO 15 1HD PRO 15 -8.473 -0.702 2.711 127 H ASN 16 H ASN 16 -4.929 2.389 -0.151 128 HA ASN 16 HA ASN 16 -6.340 4.890 -0.721 129 HB2 ASN 16 1HB ASN 16 -4.205 4.536 1.376 130 HB3 ASN 16 2HB ASN 16 -4.446 6.090 0.581 131 HD21 ASN 16 1HD2 ASN 16 -7.159 4.698 3.280 132 HD22 ASN 16 2HD2 ASN 16 -5.915 3.674 2.643 133 H ASP 17 H ASP 17 -5.498 6.052 -2.319 134 HA ASP 17 HA ASP 17 -3.946 4.705 -4.215 135 HB2 ASP 17 1HB ASP 17 -4.566 7.668 -4.076 136 HB3 ASP 17 2HB ASP 17 -4.065 6.779 -5.514 137 H GLU 18 H GLU 18 -3.076 7.455 -2.117 138 HA GLU 18 HA GLU 18 -0.504 7.890 -3.129 139 HB2 GLU 18 1HB GLU 18 -1.470 8.303 -0.286 140 HB3 GLU 18 2HB GLU 18 -0.030 9.026 -0.996 141 HG2 GLU 18 1HG GLU 18 -1.454 10.211 -2.620 142 HG3 GLU 18 2HG GLU 18 -2.881 9.520 -1.849 143 H ILE 19 H ILE 19 -1.608 5.769 -0.523 144 HA ILE 19 HA ILE 19 0.935 4.779 0.222 145 HB ILE 19 HB ILE 19 -1.840 3.626 0.577 146 HG12 ILE 19 1HG1 ILE 19 -1.400 4.162 2.983 147 HG13 ILE 19 2HG1 ILE 19 0.120 4.908 2.506 148 HG21 ILE 19 1HG2 ILE 19 0.759 2.516 1.642 149 HG22 ILE 19 2HG2 ILE 19 -0.304 1.750 0.459 150 HG23 ILE 19 3HG2 ILE 19 -0.853 1.978 2.121 151 HD11 ILE 19 1HD1 ILE 19 -1.618 6.562 2.902 152 HD12 ILE 19 2HD1 ILE 19 -2.625 5.811 1.665 153 HD13 ILE 19 3HD1 ILE 19 -1.102 6.574 1.215 154 H LYS 20 H LYS 20 -1.460 3.750 -2.159 155 HA LYS 20 HA LYS 20 -0.193 1.365 -2.969 156 HB2 LYS 20 1HB LYS 20 -2.518 1.969 -3.560 157 HB3 LYS 20 2HB LYS 20 -1.915 3.237 -4.617 158 HG2 LYS 20 1HG LYS 20 -0.847 1.570 -6.040 159 HG3 LYS 20 2HG LYS 20 -1.389 0.284 -4.959 160 HD2 LYS 20 1HD LYS 20 -3.230 2.168 -6.450 161 HD3 LYS 20 2HD LYS 20 -2.806 0.545 -6.991 162 HE2 LYS 20 1HE LYS 20 -4.130 1.145 -4.342 163 HE3 LYS 20 2HE LYS 20 -5.013 0.713 -5.803 164 HZ1 LYS 20 1HZ LYS 20 -4.660 -1.206 -4.389 165 HZ2 LYS 20 2HZ LYS 20 -2.985 -0.990 -4.449 166 HZ3 LYS 20 3HZ LYS 20 -3.835 -1.392 -5.852 167 H LYS 21 H LYS 21 0.210 4.723 -3.948 168 HA LYS 21 HA LYS 21 2.075 4.173 -6.040 169 HB2 LYS 21 1HB LYS 21 1.540 6.743 -4.530 170 HB3 LYS 21 2HB LYS 21 2.516 6.612 -5.988 171 HG2 LYS 21 1HG LYS 21 -0.448 6.124 -5.726 172 HG3 LYS 21 2HG LYS 21 0.354 7.439 -6.587 173 HD2 LYS 21 1HD LYS 21 1.391 5.703 -8.087 174 HD3 LYS 21 2HD LYS 21 0.369 4.501 -7.297 175 HE2 LYS 21 1HE LYS 21 -0.665 5.208 -9.362 176 HE3 LYS 21 2HE LYS 21 -1.627 5.782 -8.000 177 HZ1 LYS 21 1HZ LYS 21 -0.703 7.964 -8.261 178 HZ2 LYS 21 2HZ LYS 21 -1.307 7.459 -9.757 179 HZ3 LYS 21 3HZ LYS 21 0.359 7.435 -9.467 180 H LYS 22 H LYS 22 2.302 4.735 -2.594 181 HA LYS 22 HA LYS 22 5.115 4.978 -2.416 182 HB2 LYS 22 1HB LYS 22 3.018 3.984 -0.487 183 HB3 LYS 22 2HB LYS 22 4.725 3.956 -0.070 184 HG2 LYS 22 1HG LYS 22 4.872 6.356 -0.292 185 HG3 LYS 22 2HG LYS 22 3.204 6.437 -0.867 186 HD2 LYS 22 1HD LYS 22 2.342 5.808 1.250 187 HD3 LYS 22 2HD LYS 22 3.927 5.296 1.829 188 HE2 LYS 22 1HE LYS 22 3.181 7.462 2.783 189 HE3 LYS 22 2HE LYS 22 4.701 7.575 1.898 190 HZ1 LYS 22 1HZ LYS 22 3.184 9.416 1.424 191 HZ2 LYS 22 2HZ LYS 22 2.044 8.334 0.806 192 HZ3 LYS 22 3HZ LYS 22 3.538 8.523 0.032 193 H LEU 23 H LEU 23 2.980 2.132 -2.281 194 HA LEU 23 HA LEU 23 5.009 0.188 -2.071 195 HB2 LEU 23 1HB LEU 23 2.539 -0.137 -1.677 196 HB3 LEU 23 2HB LEU 23 2.307 -0.114 -3.411 197 HG LEU 23 HG LEU 23 2.342 -2.397 -2.281 198 HD11 LEU 23 1HD1 LEU 23 4.315 -1.956 -4.520 199 HD12 LEU 23 2HD1 LEU 23 2.570 -2.135 -4.704 200 HD13 LEU 23 3HD1 LEU 23 3.536 -3.481 -4.097 201 HD21 LEU 23 1HD2 LEU 23 4.521 -3.384 -1.811 202 HD22 LEU 23 2HD2 LEU 23 4.219 -1.993 -0.773 203 HD23 LEU 23 3HD2 LEU 23 5.307 -1.842 -2.155 204 H GLU 24 H GLU 24 3.376 1.621 -4.842 205 HA GLU 24 HA GLU 24 4.518 0.369 -6.992 206 HB2 GLU 24 1HB GLU 24 2.858 2.024 -7.362 207 HB3 GLU 24 2HB GLU 24 3.777 3.248 -6.502 208 HG2 GLU 24 1HG GLU 24 5.478 3.126 -8.354 209 HG3 GLU 24 2HG GLU 24 4.328 2.118 -9.234 210 H LYS 25 H LYS 25 5.876 3.011 -5.066 211 HA LYS 25 HA LYS 25 8.421 2.802 -6.513 212 HB2 LYS 25 1HB LYS 25 7.242 4.895 -4.685 213 HB3 LYS 25 2HB LYS 25 8.943 4.912 -5.140 214 HG2 LYS 25 1HG LYS 25 8.372 5.135 -7.475 215 HG3 LYS 25 2HG LYS 25 6.657 4.954 -7.109 216 HD2 LYS 25 1HD LYS 25 8.347 7.190 -5.991 217 HD3 LYS 25 2HD LYS 25 7.462 7.318 -7.513 218 HE2 LYS 25 1HE LYS 25 6.238 6.725 -4.815 219 HE3 LYS 25 2HE LYS 25 6.205 8.284 -5.637 220 HZ1 LYS 25 1HZ LYS 25 4.150 7.190 -6.037 221 HZ2 LYS 25 2HZ LYS 25 4.910 5.766 -6.533 222 HZ3 LYS 25 3HZ LYS 25 5.017 7.154 -7.488 223 H CYS 26 H CYS 26 7.579 0.740 -4.685 224 HA CYS 26 HA CYS 26 9.858 0.918 -2.816 225 HB2 CYS 26 2HB CYS 26 7.598 0.765 -1.691 226 HB3 CYS 26 1HB CYS 26 7.407 -0.822 -2.429 227 H GLN 27 H GLN 27 7.816 -1.407 -4.594 228 HA GLN 27 HA GLN 27 9.921 -3.356 -4.714 229 HB2 GLN 27 1HB GLN 27 8.327 -4.591 -6.219 230 HB3 GLN 27 2HB GLN 27 7.693 -4.202 -4.627 231 HG2 GLN 27 1HG GLN 27 6.495 -2.274 -5.617 232 HG3 GLN 27 2HG GLN 27 7.069 -2.773 -7.208 233 HE21 GLN 27 1HE2 GLN 27 4.013 -4.453 -7.472 234 HE22 GLN 27 2HE2 GLN 27 4.976 -3.113 -7.980 235 H ALA 28 H ALA 28 11.586 -2.126 -5.660 236 HA ALA 28 HA ALA 28 11.328 -1.791 -8.583 237 HB1 ALA 28 1HB ALA 28 12.844 0.134 -8.438 238 HB2 ALA 28 2HB ALA 28 12.883 -0.025 -6.682 239 HB3 ALA 28 3HB ALA 28 11.379 0.400 -7.496 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 12.915 4.227 3.163 2 H2 ALA 1 2H ALA 1 13.670 4.157 4.675 3 H3 ALA 1 3H ALA 1 12.185 3.385 4.432 4 HA ALA 1 HA ALA 1 14.754 2.659 3.152 5 HB1 ALA 1 1HB ALA 1 14.560 0.605 4.489 6 HB2 ALA 1 2HB ALA 1 13.090 1.231 5.236 7 HB3 ALA 1 3HB ALA 1 14.633 2.037 5.515 8 H GLU 2 H GLU 2 14.161 0.046 2.653 9 HA GLU 2 HA GLU 2 12.233 0.141 0.524 10 HB2 GLU 2 1HB GLU 2 13.827 -2.133 1.728 11 HB3 GLU 2 2HB GLU 2 12.741 -2.326 0.356 12 HG2 GLU 2 1HG GLU 2 14.076 -0.793 -0.960 13 HG3 GLU 2 2HG GLU 2 15.132 -0.493 0.420 14 H ASP 3 H ASP 3 10.643 0.920 2.282 15 HA ASP 3 HA ASP 3 9.522 -1.073 4.040 16 HB2 ASP 3 1HB ASP 3 8.564 1.718 3.333 17 HB3 ASP 3 2HB ASP 3 7.892 0.716 4.612 18 H CYS 4 H CYS 4 9.399 -1.252 0.947 19 HA CYS 4 HA CYS 4 6.837 -0.980 -0.007 20 HB2 CYS 4 2HB CYS 4 8.925 -3.060 -0.675 21 HB3 CYS 4 1HB CYS 4 7.417 -2.896 -1.567 22 H GLU 5 H GLU 5 8.188 -3.738 1.785 23 HA GLU 5 HA GLU 5 5.929 -5.401 1.624 24 HB2 GLU 5 1HB GLU 5 8.124 -5.209 3.695 25 HB3 GLU 5 2HB GLU 5 6.901 -6.476 3.700 26 HG2 GLU 5 1HG GLU 5 8.835 -5.940 1.449 27 HG3 GLU 5 2HG GLU 5 9.019 -7.192 2.678 28 H ARG 6 H ARG 6 6.805 -2.877 3.920 29 HA ARG 6 HA ARG 6 4.760 -3.302 5.819 30 HB2 ARG 6 1HB ARG 6 6.904 -1.771 5.853 31 HB3 ARG 6 2HB ARG 6 5.834 -0.566 5.160 32 HG2 ARG 6 1HG ARG 6 5.874 -0.160 7.478 33 HG3 ARG 6 2HG ARG 6 4.322 -0.941 7.157 34 HD2 ARG 6 1HD ARG 6 5.610 -1.777 9.185 35 HD3 ARG 6 2HD ARG 6 5.062 -3.006 8.044 36 HE ARG 6 HE ARG 6 7.241 -3.520 7.592 37 HH11 ARG 6 1HH1 ARG 6 7.183 -0.434 9.268 38 HH12 ARG 6 2HH1 ARG 6 8.912 -0.301 9.324 39 HH21 ARG 6 1HH2 ARG 6 9.506 -3.320 7.656 40 HH22 ARG 6 2HH2 ARG 6 10.230 -1.931 8.412 41 H ILE 7 H ILE 7 5.037 -0.926 3.213 42 HA ILE 7 HA ILE 7 2.452 0.151 3.417 43 HB ILE 7 HB ILE 7 4.213 0.042 0.950 44 HG12 ILE 7 1HG1 ILE 7 4.120 2.113 3.171 45 HG13 ILE 7 2HG1 ILE 7 5.423 0.964 2.897 46 HG21 ILE 7 1HG2 ILE 7 3.033 2.102 0.296 47 HG22 ILE 7 2HG2 ILE 7 1.996 1.947 1.715 48 HG23 ILE 7 3HG2 ILE 7 1.938 0.728 0.442 49 HD11 ILE 7 1HD1 ILE 7 4.599 3.198 1.056 50 HD12 ILE 7 2HD1 ILE 7 5.870 2.019 0.726 51 HD13 ILE 7 3HD1 ILE 7 6.036 3.141 2.075 52 H ARG 8 H ARG 8 3.755 -2.516 1.513 53 HA ARG 8 HA ARG 8 1.533 -3.097 -0.084 54 HB2 ARG 8 1HB ARG 8 3.816 -4.111 -0.317 55 HB3 ARG 8 2HB ARG 8 3.487 -5.090 1.102 56 HG2 ARG 8 1HG ARG 8 1.637 -6.180 -0.056 57 HG3 ARG 8 2HG ARG 8 1.927 -5.179 -1.479 58 HD2 ARG 8 1HD ARG 8 2.891 -7.425 -1.727 59 HD3 ARG 8 2HD ARG 8 4.128 -6.170 -1.762 60 HE ARG 8 HE ARG 8 5.065 -7.095 0.098 61 HH11 ARG 8 1HH1 ARG 8 1.770 -8.256 -0.158 62 HH12 ARG 8 2HH1 ARG 8 1.926 -9.370 1.162 63 HH21 ARG 8 1HH2 ARG 8 5.278 -8.571 1.825 64 HH22 ARG 8 2HH2 ARG 8 3.922 -9.548 2.290 65 H LYS 9 H LYS 9 2.457 -4.287 3.112 66 HA LYS 9 HA LYS 9 0.271 -6.020 3.451 67 HB2 LYS 9 1HB LYS 9 2.447 -5.934 4.807 68 HB3 LYS 9 2HB LYS 9 1.707 -4.623 5.715 69 HG2 LYS 9 1HG LYS 9 1.374 -6.600 6.977 70 HG3 LYS 9 2HG LYS 9 -0.186 -6.202 6.253 71 HD2 LYS 9 1HD LYS 9 0.200 -7.857 4.489 72 HD3 LYS 9 2HD LYS 9 1.778 -8.240 5.181 73 HE2 LYS 9 1HE LYS 9 0.252 -9.933 5.891 74 HE3 LYS 9 2HE LYS 9 0.592 -8.915 7.289 75 HZ1 LYS 9 1HZ LYS 9 -1.509 -7.738 6.827 76 HZ2 LYS 9 2HZ LYS 9 -1.745 -9.374 7.179 77 HZ3 LYS 9 3HZ LYS 9 -1.834 -8.831 5.581 78 H GLU 10 H GLU 10 0.740 -2.620 4.313 79 HA GLU 10 HA GLU 10 -1.790 -2.285 5.575 80 HB2 GLU 10 1HB GLU 10 0.412 -0.723 5.352 81 HB3 GLU 10 2HB GLU 10 -0.589 0.024 4.117 82 HG2 GLU 10 1HG GLU 10 -1.261 -0.309 7.035 83 HG3 GLU 10 2HG GLU 10 -0.842 1.189 6.213 84 H LEU 11 H LEU 11 -0.658 -2.102 2.272 85 HA LEU 11 HA LEU 11 -2.975 -0.835 1.156 86 HB2 LEU 11 1HB LEU 11 -0.546 -0.933 0.245 87 HB3 LEU 11 2HB LEU 11 -0.972 -2.516 -0.362 88 HG LEU 11 HG LEU 11 -1.071 -0.674 -2.053 89 HD11 LEU 11 1HD1 LEU 11 -3.162 -1.339 -3.078 90 HD12 LEU 11 2HD1 LEU 11 -3.708 -2.046 -1.557 91 HD13 LEU 11 3HD1 LEU 11 -2.328 -2.740 -2.404 92 HD21 LEU 11 1HD2 LEU 11 -3.441 0.251 -0.430 93 HD22 LEU 11 2HD2 LEU 11 -2.954 0.875 -2.006 94 HD23 LEU 11 3HD2 LEU 11 -1.904 1.099 -0.611 95 H GLU 12 H GLU 12 -1.895 -4.072 1.746 96 HA GLU 12 HA GLU 12 -3.587 -5.629 0.223 97 HB2 GLU 12 1HB GLU 12 -1.722 -6.474 1.598 98 HB3 GLU 12 2HB GLU 12 -2.624 -6.097 3.057 99 HG2 GLU 12 1HG GLU 12 -4.302 -7.757 2.466 100 HG3 GLU 12 2HG GLU 12 -3.430 -8.119 0.975 101 H LYS 13 H LYS 13 -4.147 -4.100 3.357 102 HA LYS 13 HA LYS 13 -6.904 -4.969 3.483 103 HB2 LYS 13 1HB LYS 13 -5.312 -3.044 5.189 104 HB3 LYS 13 2HB LYS 13 -6.987 -3.481 5.500 105 HG2 LYS 13 1HG LYS 13 -6.350 -5.799 5.852 106 HG3 LYS 13 2HG LYS 13 -4.674 -5.418 5.448 107 HD2 LYS 13 1HD LYS 13 -5.015 -5.559 7.877 108 HD3 LYS 13 2HD LYS 13 -4.516 -3.942 7.378 109 HE2 LYS 13 1HE LYS 13 -6.919 -3.261 7.420 110 HE3 LYS 13 2HE LYS 13 -7.313 -4.844 8.087 111 HZ1 LYS 13 1HZ LYS 13 -5.530 -2.824 9.331 112 HZ2 LYS 13 2HZ LYS 13 -5.880 -4.345 9.976 113 HZ3 LYS 13 3HZ LYS 13 -7.104 -3.192 9.819 114 H ASN 14 H ASN 14 -5.281 -1.797 3.292 115 HA ASN 14 HA ASN 14 -7.788 -0.634 2.266 116 HB2 ASN 14 1HB ASN 14 -5.447 0.733 3.621 117 HB3 ASN 14 2HB ASN 14 -6.906 1.537 3.047 118 HD21 ASN 14 1HD2 ASN 14 -6.840 -0.362 6.609 119 HD22 ASN 14 2HD2 ASN 14 -5.478 -0.362 5.539 120 HA PRO 15 HA PRO 15 -5.233 -0.389 -1.478 121 HB2 PRO 15 2HB PRO 15 -7.250 -0.263 -3.247 122 HB3 PRO 15 1HB PRO 15 -6.847 -1.775 -2.419 123 HG2 PRO 15 2HG PRO 15 -9.026 0.197 -1.809 124 HG3 PRO 15 1HG PRO 15 -9.103 -1.575 -1.855 125 HD2 PRO 15 2HD PRO 15 -8.833 -0.119 0.457 126 HD3 PRO 15 1HD PRO 15 -8.256 -1.788 0.269 127 H ASN 16 H ASN 16 -5.523 1.905 0.150 128 HA ASN 16 HA ASN 16 -6.834 4.080 -1.073 129 HB2 ASN 16 1HB ASN 16 -4.417 4.086 0.760 130 HB3 ASN 16 2HB ASN 16 -5.386 5.501 0.357 131 HD21 ASN 16 1HD2 ASN 16 -8.246 3.773 2.111 132 HD22 ASN 16 2HD2 ASN 16 -7.921 4.089 0.445 133 H ASP 17 H ASP 17 -6.192 5.562 -2.573 134 HA ASP 17 HA ASP 17 -4.530 4.771 -4.640 135 HB2 ASP 17 1HB ASP 17 -5.243 7.629 -3.923 136 HB3 ASP 17 2HB ASP 17 -4.698 7.061 -5.497 137 H GLU 18 H GLU 18 -3.841 7.298 -2.233 138 HA GLU 18 HA GLU 18 -1.284 7.967 -3.099 139 HB2 GLU 18 1HB GLU 18 -2.338 8.060 -0.261 140 HB3 GLU 18 2HB GLU 18 -0.986 8.991 -0.893 141 HG2 GLU 18 1HG GLU 18 -2.457 10.222 -2.359 142 HG3 GLU 18 2HG GLU 18 -3.826 9.222 -1.878 143 H ILE 19 H ILE 19 -2.307 5.560 -0.734 144 HA ILE 19 HA ILE 19 0.282 4.788 0.125 145 HB ILE 19 HB ILE 19 -2.300 3.200 0.186 146 HG12 ILE 19 1HG1 ILE 19 -2.560 5.334 1.340 147 HG13 ILE 19 2HG1 ILE 19 -2.500 4.024 2.515 148 HG21 ILE 19 1HG2 ILE 19 -1.272 1.942 2.026 149 HG22 ILE 19 2HG2 ILE 19 0.229 2.838 1.798 150 HG23 ILE 19 3HG2 ILE 19 -0.357 1.765 0.529 151 HD11 ILE 19 1HD1 ILE 19 -1.234 5.928 3.288 152 HD12 ILE 19 2HD1 ILE 19 -0.249 5.905 1.827 153 HD13 ILE 19 3HD1 ILE 19 -0.153 4.571 2.980 154 H LYS 20 H LYS 20 -1.944 3.556 -2.321 155 HA LYS 20 HA LYS 20 -0.504 1.332 -3.209 156 HB2 LYS 20 1HB LYS 20 -2.889 1.997 -3.768 157 HB3 LYS 20 2HB LYS 20 -2.237 3.170 -4.894 158 HG2 LYS 20 1HG LYS 20 -1.670 0.219 -5.100 159 HG3 LYS 20 2HG LYS 20 -3.066 0.980 -5.857 160 HD2 LYS 20 1HD LYS 20 -1.419 2.534 -7.014 161 HD3 LYS 20 2HD LYS 20 -0.143 1.458 -6.439 162 HE2 LYS 20 1HE LYS 20 -0.691 0.804 -8.672 163 HE3 LYS 20 2HE LYS 20 -1.333 -0.430 -7.586 164 HZ1 LYS 20 1HZ LYS 20 -3.519 0.530 -7.803 165 HZ2 LYS 20 2HZ LYS 20 -2.904 0.213 -9.343 166 HZ3 LYS 20 3HZ LYS 20 -2.919 1.794 -8.753 167 H LYS 21 H LYS 21 -0.389 4.731 -4.159 168 HA LYS 21 HA LYS 21 1.480 4.485 -6.258 169 HB2 LYS 21 1HB LYS 21 0.843 6.854 -4.477 170 HB3 LYS 21 2HB LYS 21 1.814 6.943 -5.944 171 HG2 LYS 21 1HG LYS 21 -0.078 6.301 -7.295 172 HG3 LYS 21 2HG LYS 21 -1.062 6.032 -5.853 173 HD2 LYS 21 1HD LYS 21 -1.613 8.173 -6.883 174 HD3 LYS 21 2HD LYS 21 -0.889 8.417 -5.293 175 HE2 LYS 21 1HE LYS 21 1.253 8.953 -6.332 176 HE3 LYS 21 2HE LYS 21 0.572 8.641 -7.929 177 HZ1 LYS 21 1HZ LYS 21 0.655 11.013 -7.376 178 HZ2 LYS 21 2HZ LYS 21 -0.384 10.747 -6.069 179 HZ3 LYS 21 3HZ LYS 21 -0.926 10.480 -7.649 180 H LYS 22 H LYS 22 1.892 5.260 -2.804 181 HA LYS 22 HA LYS 22 4.713 5.618 -3.054 182 HB2 LYS 22 1HB LYS 22 3.365 6.676 -1.240 183 HB3 LYS 22 2HB LYS 22 3.145 5.090 -0.518 184 HG2 LYS 22 1HG LYS 22 4.951 6.443 0.540 185 HG3 LYS 22 2HG LYS 22 5.493 4.880 -0.077 186 HD2 LYS 22 1HD LYS 22 6.221 6.093 -2.178 187 HD3 LYS 22 2HD LYS 22 5.902 7.602 -1.325 188 HE2 LYS 22 1HE LYS 22 7.781 5.479 -0.299 189 HE3 LYS 22 2HE LYS 22 8.299 6.815 -1.324 190 HZ1 LYS 22 1HZ LYS 22 7.328 8.317 0.413 191 HZ2 LYS 22 2HZ LYS 22 8.705 7.454 0.881 192 HZ3 LYS 22 3HZ LYS 22 7.178 6.959 1.413 193 H LEU 23 H LEU 23 2.671 2.874 -2.564 194 HA LEU 23 HA LEU 23 4.378 1.064 -1.338 195 HB2 LEU 23 1HB LEU 23 2.090 0.481 -1.716 196 HB3 LEU 23 2HB LEU 23 2.258 0.672 -3.451 197 HG LEU 23 HG LEU 23 3.643 -1.326 -3.584 198 HD11 LEU 23 1HD1 LEU 23 4.044 -2.731 -1.621 199 HD12 LEU 23 2HD1 LEU 23 3.314 -1.497 -0.593 200 HD13 LEU 23 3HD1 LEU 23 4.806 -1.150 -1.464 201 HD21 LEU 23 1HD2 LEU 23 1.977 -3.001 -2.975 202 HD22 LEU 23 2HD2 LEU 23 1.213 -1.595 -3.713 203 HD23 LEU 23 3HD2 LEU 23 1.140 -1.822 -1.966 204 H GLU 24 H GLU 24 3.901 1.496 -4.833 205 HA GLU 24 HA GLU 24 5.900 -0.327 -5.621 206 HB2 GLU 24 1HB GLU 24 5.633 0.772 -7.868 207 HB3 GLU 24 2HB GLU 24 4.133 0.211 -7.141 208 HG2 GLU 24 1HG GLU 24 3.698 2.523 -6.355 209 HG3 GLU 24 2HG GLU 24 5.145 3.050 -7.211 210 H LYS 25 H LYS 25 6.079 2.965 -4.614 211 HA LYS 25 HA LYS 25 8.884 3.123 -5.533 212 HB2 LYS 25 1HB LYS 25 6.918 5.401 -5.136 213 HB3 LYS 25 2HB LYS 25 8.595 5.574 -5.638 214 HG2 LYS 25 1HG LYS 25 6.381 4.228 -7.193 215 HG3 LYS 25 2HG LYS 25 7.130 5.785 -7.552 216 HD2 LYS 25 1HD LYS 25 9.298 4.616 -7.887 217 HD3 LYS 25 2HD LYS 25 8.476 3.076 -7.630 218 HE2 LYS 25 1HE LYS 25 7.852 5.057 -9.826 219 HE3 LYS 25 2HE LYS 25 8.787 3.576 -10.017 220 HZ1 LYS 25 1HZ LYS 25 5.931 3.724 -9.206 221 HZ2 LYS 25 2HZ LYS 25 6.828 2.301 -9.400 222 HZ3 LYS 25 3HZ LYS 25 6.505 3.285 -10.733 223 H CYS 26 H CYS 26 8.038 1.916 -3.105 224 HA CYS 26 HA CYS 26 8.050 3.630 -0.878 225 HB2 CYS 26 2HB CYS 26 8.170 1.707 0.441 226 HB3 CYS 26 1HB CYS 26 7.441 1.109 -1.047 227 H GLN 27 H GLN 27 10.575 2.750 -2.955 228 HA GLN 27 HA GLN 27 12.803 2.435 -1.373 229 HB2 GLN 27 1HB GLN 27 12.792 2.148 -3.816 230 HB3 GLN 27 2HB GLN 27 12.627 3.885 -4.027 231 HG2 GLN 27 1HG GLN 27 14.821 4.206 -2.948 232 HG3 GLN 27 2HG GLN 27 14.985 2.456 -2.800 233 HE21 GLN 27 1HE2 GLN 27 16.802 2.678 -5.777 234 HE22 GLN 27 2HE2 GLN 27 16.847 2.436 -4.064 235 H ALA 28 H ALA 28 11.162 5.423 -2.261 236 HA ALA 28 HA ALA 28 12.919 6.874 -0.392 237 HB1 ALA 28 1HB ALA 28 11.899 7.941 -3.031 238 HB2 ALA 28 2HB ALA 28 13.556 7.441 -2.694 239 HB3 ALA 28 3HB ALA 28 12.867 8.831 -1.856 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 13.634 3.203 6.920 2 H2 ALA 1 2H ALA 1 12.706 4.612 6.910 3 H3 ALA 1 3H ALA 1 14.218 4.596 6.158 4 HA ALA 1 HA ALA 1 12.472 4.496 4.529 5 HB1 ALA 1 1HB ALA 1 14.594 3.361 4.057 6 HB2 ALA 1 2HB ALA 1 13.238 2.508 3.322 7 HB3 ALA 1 3HB ALA 1 13.974 1.885 4.799 8 H GLU 2 H GLU 2 10.870 3.029 3.482 9 HA GLU 2 HA GLU 2 9.194 1.739 5.532 10 HB2 GLU 2 1HB GLU 2 8.397 2.805 2.809 11 HB3 GLU 2 2HB GLU 2 7.307 2.139 4.020 12 HG2 GLU 2 1HG GLU 2 8.929 4.668 4.266 13 HG3 GLU 2 2HG GLU 2 7.192 4.554 3.990 14 H ASP 3 H ASP 3 9.052 -0.402 5.479 15 HA ASP 3 HA ASP 3 10.313 -2.009 3.537 16 HB2 ASP 3 1HB ASP 3 8.119 -2.834 5.462 17 HB3 ASP 3 2HB ASP 3 9.242 -3.913 4.647 18 H CYS 4 H CYS 4 9.651 -2.555 1.543 19 HA CYS 4 HA CYS 4 7.249 -1.719 0.403 20 HB2 CYS 4 2HB CYS 4 8.983 -4.048 -0.466 21 HB3 CYS 4 1HB CYS 4 7.795 -3.213 -1.466 22 H GLU 5 H GLU 5 8.101 -4.785 1.945 23 HA GLU 5 HA GLU 5 5.718 -6.188 1.526 24 HB2 GLU 5 1HB GLU 5 7.627 -7.329 2.419 25 HB3 GLU 5 2HB GLU 5 7.714 -6.238 3.793 26 HG2 GLU 5 1HG GLU 5 6.854 -8.449 4.406 27 HG3 GLU 5 2HG GLU 5 5.690 -7.165 4.720 28 H ARG 6 H ARG 6 6.600 -3.817 3.993 29 HA ARG 6 HA ARG 6 4.280 -4.061 5.584 30 HB2 ARG 6 1HB ARG 6 6.431 -2.839 6.189 31 HB3 ARG 6 2HB ARG 6 5.876 -1.520 5.169 32 HG2 ARG 6 1HG ARG 6 3.759 -1.552 6.643 33 HG3 ARG 6 2HG ARG 6 4.732 -2.513 7.759 34 HD2 ARG 6 1HD ARG 6 5.275 0.286 6.779 35 HD3 ARG 6 2HD ARG 6 4.880 -0.216 8.421 36 HE ARG 6 HE ARG 6 7.207 -1.551 7.777 37 HH11 ARG 6 1HH1 ARG 6 6.186 1.795 7.968 38 HH12 ARG 6 2HH1 ARG 6 7.765 2.387 8.374 39 HH21 ARG 6 1HH2 ARG 6 9.299 -0.764 8.298 40 HH22 ARG 6 2HH2 ARG 6 9.523 0.933 8.589 41 H ILE 7 H ILE 7 5.146 -1.650 3.106 42 HA ILE 7 HA ILE 7 2.717 -0.316 2.901 43 HB ILE 7 HB ILE 7 4.690 -0.893 0.668 44 HG12 ILE 7 1HG1 ILE 7 4.525 1.471 2.567 45 HG13 ILE 7 2HG1 ILE 7 5.729 0.189 2.638 46 HG21 ILE 7 1HG2 ILE 7 2.601 1.284 0.887 47 HG22 ILE 7 2HG2 ILE 7 2.547 -0.107 -0.199 48 HG23 ILE 7 3HG2 ILE 7 3.793 1.123 -0.404 49 HD11 ILE 7 1HD1 ILE 7 6.570 0.871 0.438 50 HD12 ILE 7 2HD1 ILE 7 6.638 2.183 1.614 51 HD13 ILE 7 3HD1 ILE 7 5.368 2.161 0.393 52 H ARG 8 H ARG 8 3.831 -3.254 1.330 53 HA ARG 8 HA ARG 8 1.790 -3.789 -0.464 54 HB2 ARG 8 1HB ARG 8 3.848 -5.130 -0.269 55 HB3 ARG 8 2HB ARG 8 3.319 -5.709 1.306 56 HG2 ARG 8 1HG ARG 8 1.382 -6.803 0.207 57 HG3 ARG 8 2HG ARG 8 2.051 -6.327 -1.357 58 HD2 ARG 8 1HD ARG 8 3.993 -7.662 -1.032 59 HD3 ARG 8 2HD ARG 8 3.607 -7.934 0.666 60 HE ARG 8 HE ARG 8 2.040 -9.055 -1.578 61 HH11 ARG 8 1HH1 ARG 8 3.521 -9.353 1.593 62 HH12 ARG 8 2HH1 ARG 8 2.862 -10.936 1.879 63 HH21 ARG 8 1HH2 ARG 8 1.201 -11.155 -1.192 64 HH22 ARG 8 2HH2 ARG 8 1.564 -11.959 0.309 65 H LYS 9 H LYS 9 2.070 -5.075 2.866 66 HA LYS 9 HA LYS 9 -0.581 -6.110 2.737 67 HB2 LYS 9 1HB LYS 9 -0.219 -6.773 5.109 68 HB3 LYS 9 2HB LYS 9 0.997 -7.361 3.992 69 HG2 LYS 9 1HG LYS 9 2.249 -6.719 5.810 70 HG3 LYS 9 2HG LYS 9 2.374 -5.312 4.756 71 HD2 LYS 9 1HD LYS 9 0.815 -4.083 6.064 72 HD3 LYS 9 2HD LYS 9 0.320 -5.525 6.958 73 HE2 LYS 9 1HE LYS 9 3.037 -4.206 7.068 74 HE3 LYS 9 2HE LYS 9 1.787 -4.123 8.313 75 HZ1 LYS 9 1HZ LYS 9 1.968 -6.501 8.620 76 HZ2 LYS 9 2HZ LYS 9 3.479 -5.776 8.828 77 HZ3 LYS 9 3HZ LYS 9 3.135 -6.607 7.400 78 H GLU 10 H GLU 10 0.730 -3.080 3.698 79 HA GLU 10 HA GLU 10 -1.518 -2.243 5.272 80 HB2 GLU 10 1HB GLU 10 0.643 -0.668 3.848 81 HB3 GLU 10 2HB GLU 10 -0.643 0.096 4.775 82 HG2 GLU 10 1HG GLU 10 0.121 -1.219 6.764 83 HG3 GLU 10 2HG GLU 10 1.501 -1.749 5.804 84 H LEU 11 H LEU 11 -0.657 -2.185 1.866 85 HA LEU 11 HA LEU 11 -2.910 -0.657 1.003 86 HB2 LEU 11 1HB LEU 11 -0.623 -1.460 -0.198 87 HB3 LEU 11 2HB LEU 11 -1.706 -2.689 -0.820 88 HG LEU 11 HG LEU 11 -1.979 0.303 -1.187 89 HD11 LEU 11 1HD1 LEU 11 -1.618 -0.199 -3.557 90 HD12 LEU 11 2HD1 LEU 11 -1.359 -1.896 -3.158 91 HD13 LEU 11 3HD1 LEU 11 -0.238 -0.670 -2.567 92 HD21 LEU 11 1HD2 LEU 11 -3.777 -1.914 -2.165 93 HD22 LEU 11 2HD2 LEU 11 -3.876 -0.224 -2.663 94 HD23 LEU 11 3HD2 LEU 11 -4.189 -0.667 -0.986 95 H GLU 12 H GLU 12 -2.195 -4.094 1.374 96 HA GLU 12 HA GLU 12 -4.608 -5.175 0.463 97 HB2 GLU 12 1HB GLU 12 -2.568 -6.473 0.922 98 HB3 GLU 12 2HB GLU 12 -2.721 -6.120 2.637 99 HG2 GLU 12 1HG GLU 12 -3.469 -8.339 2.240 100 HG3 GLU 12 2HG GLU 12 -4.857 -7.340 2.659 101 H LYS 13 H LYS 13 -3.595 -4.002 3.631 102 HA LYS 13 HA LYS 13 -6.000 -4.660 5.015 103 HB2 LYS 13 1HB LYS 13 -3.823 -4.418 6.143 104 HB3 LYS 13 2HB LYS 13 -3.775 -2.717 5.704 105 HG2 LYS 13 1HG LYS 13 -4.408 -2.856 7.983 106 HG3 LYS 13 2HG LYS 13 -5.839 -2.382 7.070 107 HD2 LYS 13 1HD LYS 13 -6.671 -4.677 7.152 108 HD3 LYS 13 2HD LYS 13 -5.212 -5.191 8.004 109 HE2 LYS 13 1HE LYS 13 -7.301 -3.252 9.008 110 HE3 LYS 13 2HE LYS 13 -7.030 -4.899 9.579 111 HZ1 LYS 13 1HZ LYS 13 -5.087 -2.662 9.797 112 HZ2 LYS 13 2HZ LYS 13 -4.844 -4.236 10.362 113 HZ3 LYS 13 3HZ LYS 13 -6.035 -3.263 11.059 114 H ASN 14 H ASN 14 -4.789 -1.837 3.331 115 HA ASN 14 HA ASN 14 -7.364 -0.477 3.672 116 HB2 ASN 14 1HB ASN 14 -5.907 0.367 5.469 117 HB3 ASN 14 2HB ASN 14 -4.668 0.772 4.291 118 HD21 ASN 14 1HD2 ASN 14 -8.046 3.015 3.867 119 HD22 ASN 14 2HD2 ASN 14 -8.135 1.291 3.881 120 HA PRO 15 HA PRO 15 -5.961 -0.306 -0.702 121 HB2 PRO 15 2HB PRO 15 -8.478 -0.271 -1.755 122 HB3 PRO 15 1HB PRO 15 -7.635 -1.761 -1.310 123 HG2 PRO 15 2HG PRO 15 -9.710 -0.229 0.217 124 HG3 PRO 15 1HG PRO 15 -9.555 -1.981 -0.008 125 HD2 PRO 15 2HD PRO 15 -8.762 -0.738 2.264 126 HD3 PRO 15 1HD PRO 15 -7.939 -2.177 1.634 127 H ASN 16 H ASN 16 -5.149 1.808 -0.365 128 HA ASN 16 HA ASN 16 -7.059 3.972 -0.987 129 HB2 ASN 16 1HB ASN 16 -4.931 3.859 1.115 130 HB3 ASN 16 2HB ASN 16 -5.239 5.399 0.328 131 HD21 ASN 16 1HD2 ASN 16 -8.621 4.001 2.076 132 HD22 ASN 16 2HD2 ASN 16 -7.836 3.119 0.823 133 H ASP 17 H ASP 17 -6.380 5.563 -2.372 134 HA ASP 17 HA ASP 17 -4.726 4.836 -4.480 135 HB2 ASP 17 1HB ASP 17 -5.752 7.534 -3.584 136 HB3 ASP 17 2HB ASP 17 -4.813 7.325 -5.058 137 H GLU 18 H GLU 18 -4.019 6.961 -1.721 138 HA GLU 18 HA GLU 18 -1.449 7.714 -2.594 139 HB2 GLU 18 1HB GLU 18 -2.638 8.962 -0.858 140 HB3 GLU 18 2HB GLU 18 -2.515 7.587 0.236 141 HG2 GLU 18 1HG GLU 18 -0.177 7.825 0.444 142 HG3 GLU 18 2HG GLU 18 -0.089 8.923 -0.933 143 H ILE 19 H ILE 19 -2.545 5.008 -0.571 144 HA ILE 19 HA ILE 19 0.018 4.065 0.147 145 HB ILE 19 HB ILE 19 -2.402 2.300 -0.314 146 HG12 ILE 19 1HG1 ILE 19 -3.044 4.174 1.139 147 HG13 ILE 19 2HG1 ILE 19 -2.981 2.669 2.046 148 HG21 ILE 19 1HG2 ILE 19 -1.371 0.887 1.418 149 HG22 ILE 19 2HG2 ILE 19 -0.008 2.004 1.514 150 HG23 ILE 19 3HG2 ILE 19 -0.303 1.099 0.027 151 HD11 ILE 19 1HD1 ILE 19 -2.050 4.492 3.333 152 HD12 ILE 19 2HD1 ILE 19 -0.890 4.839 2.054 153 HD13 ILE 19 3HD1 ILE 19 -0.794 3.319 2.945 154 H LYS 20 H LYS 20 -2.117 3.358 -2.584 155 HA LYS 20 HA LYS 20 -0.523 1.512 -3.946 156 HB2 LYS 20 1HB LYS 20 -2.775 1.912 -4.671 157 HB3 LYS 20 2HB LYS 20 -2.451 3.615 -4.948 158 HG2 LYS 20 1HG LYS 20 -2.627 2.418 -7.047 159 HG3 LYS 20 2HG LYS 20 -0.990 3.040 -6.826 160 HD2 LYS 20 1HD LYS 20 -0.236 0.814 -6.114 161 HD3 LYS 20 2HD LYS 20 -1.876 0.190 -6.311 162 HE2 LYS 20 1HE LYS 20 -0.485 -0.381 -8.237 163 HE3 LYS 20 2HE LYS 20 -1.788 0.713 -8.707 164 HZ1 LYS 20 1HZ LYS 20 1.071 1.404 -8.291 165 HZ2 LYS 20 2HZ LYS 20 -0.145 2.551 -8.511 166 HZ3 LYS 20 3HZ LYS 20 0.203 1.454 -9.743 167 H LYS 21 H LYS 21 -0.483 5.055 -4.031 168 HA LYS 21 HA LYS 21 1.521 5.291 -6.020 169 HB2 LYS 21 1HB LYS 21 -0.132 7.087 -5.152 170 HB3 LYS 21 2HB LYS 21 1.027 7.342 -3.856 171 HG2 LYS 21 1HG LYS 21 1.459 8.987 -5.508 172 HG3 LYS 21 2HG LYS 21 2.761 7.801 -5.622 173 HD2 LYS 21 1HD LYS 21 1.723 6.776 -7.559 174 HD3 LYS 21 2HD LYS 21 0.307 7.815 -7.394 175 HE2 LYS 21 1HE LYS 21 1.634 8.718 -9.154 176 HE3 LYS 21 2HE LYS 21 1.825 9.787 -7.765 177 HZ1 LYS 21 1HZ LYS 21 3.939 9.407 -8.788 178 HZ2 LYS 21 2HZ LYS 21 3.750 7.733 -8.700 179 HZ3 LYS 21 3HZ LYS 21 3.935 8.633 -7.284 180 H LYS 22 H LYS 22 1.607 4.917 -2.530 181 HA LYS 22 HA LYS 22 4.392 5.508 -2.242 182 HB2 LYS 22 1HB LYS 22 2.439 4.101 -0.407 183 HB3 LYS 22 2HB LYS 22 4.111 4.433 0.024 184 HG2 LYS 22 1HG LYS 22 3.646 6.864 -0.352 185 HG3 LYS 22 2HG LYS 22 1.942 6.445 -0.556 186 HD2 LYS 22 1HD LYS 22 1.876 5.532 1.703 187 HD3 LYS 22 2HD LYS 22 3.598 5.859 1.907 188 HE2 LYS 22 1HE LYS 22 3.113 8.282 1.571 189 HE3 LYS 22 2HE LYS 22 1.396 7.893 1.541 190 HZ1 LYS 22 1HZ LYS 22 2.073 8.640 3.717 191 HZ2 LYS 22 2HZ LYS 22 3.247 7.424 3.812 192 HZ3 LYS 22 3HZ LYS 22 1.606 7.014 3.791 193 H LEU 23 H LEU 23 2.515 2.541 -2.694 194 HA LEU 23 HA LEU 23 4.706 0.750 -2.479 195 HB2 LEU 23 1HB LEU 23 2.104 0.305 -2.622 196 HB3 LEU 23 2HB LEU 23 2.403 0.233 -4.347 197 HG LEU 23 HG LEU 23 3.741 -1.540 -2.287 198 HD11 LEU 23 1HD1 LEU 23 1.476 -2.143 -4.181 199 HD12 LEU 23 2HD1 LEU 23 1.374 -2.025 -2.425 200 HD13 LEU 23 3HD1 LEU 23 2.312 -3.320 -3.166 201 HD21 LEU 23 1HD2 LEU 23 3.772 -1.664 -5.306 202 HD22 LEU 23 2HD2 LEU 23 4.450 -2.875 -4.219 203 HD23 LEU 23 3HD2 LEU 23 5.129 -1.252 -4.259 204 H GLU 24 H GLU 24 3.320 2.667 -5.069 205 HA GLU 24 HA GLU 24 4.897 1.744 -7.200 206 HB2 GLU 24 1HB GLU 24 2.864 3.175 -7.427 207 HB3 GLU 24 2HB GLU 24 3.793 4.533 -6.809 208 HG2 GLU 24 1HG GLU 24 5.351 4.262 -8.736 209 HG3 GLU 24 2HG GLU 24 4.263 3.031 -9.379 210 H LYS 25 H LYS 25 5.590 3.966 -4.582 211 HA LYS 25 HA LYS 25 7.940 5.130 -5.623 212 HB2 LYS 25 1HB LYS 25 7.129 4.519 -2.766 213 HB3 LYS 25 2HB LYS 25 8.588 5.405 -3.184 214 HG2 LYS 25 1HG LYS 25 5.784 6.250 -3.905 215 HG3 LYS 25 2HG LYS 25 6.726 6.881 -2.550 216 HD2 LYS 25 1HD LYS 25 8.421 7.715 -4.112 217 HD3 LYS 25 2HD LYS 25 7.503 7.060 -5.468 218 HE2 LYS 25 1HE LYS 25 5.644 8.560 -4.948 219 HE3 LYS 25 2HE LYS 25 6.536 9.197 -3.564 220 HZ1 LYS 25 1HZ LYS 25 8.198 10.076 -5.033 221 HZ2 LYS 25 2HZ LYS 25 6.684 10.608 -5.565 222 HZ3 LYS 25 3HZ LYS 25 7.469 9.355 -6.379 223 H CYS 26 H CYS 26 7.332 2.125 -3.902 224 HA CYS 26 HA CYS 26 10.062 1.289 -3.819 225 HB2 CYS 26 2HB CYS 26 8.497 0.373 -2.212 226 HB3 CYS 26 1HB CYS 26 7.466 -0.247 -3.502 227 H GLN 27 H GLN 27 7.366 0.830 -6.025 228 HA GLN 27 HA GLN 27 9.186 -0.454 -7.950 229 HB2 GLN 27 1HB GLN 27 6.337 -1.268 -7.319 230 HB3 GLN 27 2HB GLN 27 7.269 -1.885 -8.678 231 HG2 GLN 27 1HG GLN 27 8.842 -2.939 -7.208 232 HG3 GLN 27 2HG GLN 27 8.108 -2.175 -5.799 233 HE21 GLN 27 1HE2 GLN 27 6.550 -5.266 -5.352 234 HE22 GLN 27 2HE2 GLN 27 7.798 -4.184 -4.836 235 H ALA 28 H ALA 28 9.431 1.592 -8.901 236 HA ALA 28 HA ALA 28 7.046 2.791 -10.127 237 HB1 ALA 28 1HB ALA 28 8.403 4.802 -10.412 238 HB2 ALA 28 2HB ALA 28 9.802 3.964 -9.741 239 HB3 ALA 28 3HB ALA 28 8.396 4.279 -8.726 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 12.388 4.662 4.390 2 H2 ALA 1 2H ALA 1 10.740 4.307 4.326 3 H3 ALA 1 3H ALA 1 11.280 5.869 3.972 4 HA ALA 1 HA ALA 1 10.708 4.720 1.952 5 HB1 ALA 1 1HB ALA 1 12.549 6.335 1.875 6 HB2 ALA 1 2HB ALA 1 12.821 5.007 0.747 7 HB3 ALA 1 3HB ALA 1 13.695 5.057 2.279 8 H GLU 2 H GLU 2 11.098 2.973 0.496 9 HA GLU 2 HA GLU 2 11.290 0.779 -0.049 10 HB2 GLU 2 1HB GLU 2 13.735 1.415 0.357 11 HB3 GLU 2 2HB GLU 2 13.577 0.642 1.927 12 HG2 GLU 2 1HG GLU 2 12.967 -1.469 0.776 13 HG3 GLU 2 2HG GLU 2 13.257 -0.670 -0.768 14 H ASP 3 H ASP 3 9.592 1.597 2.143 15 HA ASP 3 HA ASP 3 9.669 -0.528 4.124 16 HB2 ASP 3 1HB ASP 3 7.605 1.652 3.675 17 HB3 ASP 3 2HB ASP 3 7.690 0.590 5.075 18 H CYS 4 H CYS 4 9.355 -1.363 1.413 19 HA CYS 4 HA CYS 4 6.828 -1.560 0.376 20 HB2 CYS 4 2HB CYS 4 8.980 -3.673 0.161 21 HB3 CYS 4 1HB CYS 4 7.666 -3.389 -0.978 22 H GLU 5 H GLU 5 8.351 -3.652 2.762 23 HA GLU 5 HA GLU 5 6.519 -5.728 2.928 24 HB2 GLU 5 1HB GLU 5 8.614 -5.725 4.176 25 HB3 GLU 5 2HB GLU 5 8.085 -4.345 5.127 26 HG2 GLU 5 1HG GLU 5 7.813 -6.183 6.543 27 HG3 GLU 5 2HG GLU 5 6.190 -5.832 5.955 28 H ARG 6 H ARG 6 6.572 -2.745 4.838 29 HA ARG 6 HA ARG 6 4.167 -3.316 6.234 30 HB2 ARG 6 1HB ARG 6 5.483 -0.603 5.911 31 HB3 ARG 6 2HB ARG 6 4.375 -1.093 7.183 32 HG2 ARG 6 1HG ARG 6 6.367 -1.252 8.299 33 HG3 ARG 6 2HG ARG 6 6.237 -2.896 7.675 34 HD2 ARG 6 1HD ARG 6 7.594 -2.060 5.673 35 HD3 ARG 6 2HD ARG 6 7.934 -0.630 6.646 36 HE ARG 6 HE ARG 6 8.593 -3.310 7.677 37 HH11 ARG 6 1HH1 ARG 6 9.634 -0.083 6.719 38 HH12 ARG 6 2HH1 ARG 6 11.270 -0.344 7.229 39 HH21 ARG 6 1HH2 ARG 6 10.755 -3.634 8.297 40 HH22 ARG 6 2HH2 ARG 6 11.919 -2.364 8.074 41 H ILE 7 H ILE 7 4.987 -1.192 3.534 42 HA ILE 7 HA ILE 7 2.484 0.043 3.240 43 HB ILE 7 HB ILE 7 4.523 -0.496 1.065 44 HG12 ILE 7 1HG1 ILE 7 4.241 1.931 2.868 45 HG13 ILE 7 2HG1 ILE 7 5.471 0.683 3.052 46 HG21 ILE 7 1HG2 ILE 7 2.350 0.175 0.182 47 HG22 ILE 7 2HG2 ILE 7 3.533 1.464 -0.037 48 HG23 ILE 7 3HG2 ILE 7 2.331 1.579 1.250 49 HD11 ILE 7 1HD1 ILE 7 5.149 2.513 0.681 50 HD12 ILE 7 2HD1 ILE 7 6.380 1.261 0.859 51 HD13 ILE 7 3HD1 ILE 7 6.368 2.648 1.948 52 H ARG 8 H ARG 8 3.832 -2.870 1.695 53 HA ARG 8 HA ARG 8 1.637 -3.380 -0.008 54 HB2 ARG 8 1HB ARG 8 3.846 -4.442 -0.305 55 HB3 ARG 8 2HB ARG 8 3.614 -5.350 1.176 56 HG2 ARG 8 1HG ARG 8 3.192 -6.693 -0.846 57 HG3 ARG 8 2HG ARG 8 1.781 -6.581 0.208 58 HD2 ARG 8 1HD ARG 8 0.854 -4.820 -1.246 59 HD3 ARG 8 2HD ARG 8 2.261 -4.963 -2.303 60 HE ARG 8 HE ARG 8 1.517 -7.317 -2.685 61 HH11 ARG 8 1HH1 ARG 8 -0.796 -4.888 -1.687 62 HH12 ARG 8 2HH1 ARG 8 -2.146 -5.669 -2.445 63 HH21 ARG 8 1HH2 ARG 8 -0.257 -8.360 -3.671 64 HH22 ARG 8 2HH2 ARG 8 -1.843 -7.659 -3.562 65 H LYS 9 H LYS 9 2.548 -4.719 3.142 66 HA LYS 9 HA LYS 9 0.345 -6.380 3.535 67 HB2 LYS 9 1HB LYS 9 2.331 -6.479 4.948 68 HB3 LYS 9 2HB LYS 9 1.983 -4.881 5.594 69 HG2 LYS 9 1HG LYS 9 -0.023 -5.710 6.672 70 HG3 LYS 9 2HG LYS 9 0.217 -7.302 5.949 71 HD2 LYS 9 1HD LYS 9 0.956 -7.254 8.291 72 HD3 LYS 9 2HD LYS 9 2.298 -7.575 7.193 73 HE2 LYS 9 1HE LYS 9 2.965 -5.211 7.340 74 HE3 LYS 9 2HE LYS 9 1.637 -4.911 8.461 75 HZ1 LYS 9 1HZ LYS 9 3.888 -6.789 8.938 76 HZ2 LYS 9 2HZ LYS 9 2.642 -6.440 10.021 77 HZ3 LYS 9 3HZ LYS 9 3.753 -5.239 9.598 78 H GLU 10 H GLU 10 0.668 -2.919 4.052 79 HA GLU 10 HA GLU 10 -1.895 -2.637 5.304 80 HB2 GLU 10 1HB GLU 10 -0.015 -1.119 5.780 81 HB3 GLU 10 2HB GLU 10 -0.002 -0.603 4.099 82 HG2 GLU 10 1HG GLU 10 -2.180 0.381 4.343 83 HG3 GLU 10 2HG GLU 10 -2.303 -0.225 5.990 84 H LEU 11 H LEU 11 -0.578 -2.561 2.090 85 HA LEU 11 HA LEU 11 -2.625 -1.068 0.812 86 HB2 LEU 11 1HB LEU 11 -0.387 -1.288 -0.131 87 HB3 LEU 11 2HB LEU 11 -0.605 -3.018 -0.303 88 HG LEU 11 HG LEU 11 -2.363 -2.633 -1.995 89 HD11 LEU 11 1HD1 LEU 11 -1.670 0.285 -1.660 90 HD12 LEU 11 2HD1 LEU 11 -3.192 -0.484 -1.208 91 HD13 LEU 11 3HD1 LEU 11 -2.722 -0.391 -2.904 92 HD21 LEU 11 1HD2 LEU 11 0.243 -1.210 -2.565 93 HD22 LEU 11 2HD2 LEU 11 -0.893 -1.805 -3.777 94 HD23 LEU 11 3HD2 LEU 11 -0.058 -2.943 -2.722 95 H GLU 12 H GLU 12 -2.045 -4.544 1.198 96 HA GLU 12 HA GLU 12 -4.066 -5.484 -0.486 97 HB2 GLU 12 1HB GLU 12 -4.025 -7.549 0.953 98 HB3 GLU 12 2HB GLU 12 -2.456 -7.039 0.346 99 HG2 GLU 12 1HG GLU 12 -1.840 -6.139 2.468 100 HG3 GLU 12 2HG GLU 12 -3.472 -6.364 3.095 101 H LYS 13 H LYS 13 -4.220 -4.294 2.808 102 HA LYS 13 HA LYS 13 -7.005 -5.001 3.140 103 HB2 LYS 13 1HB LYS 13 -5.530 -4.948 5.095 104 HB3 LYS 13 2HB LYS 13 -5.187 -3.245 4.809 105 HG2 LYS 13 1HG LYS 13 -7.594 -2.747 5.172 106 HG3 LYS 13 2HG LYS 13 -7.846 -4.445 5.580 107 HD2 LYS 13 1HD LYS 13 -6.010 -2.532 7.034 108 HD3 LYS 13 2HD LYS 13 -7.607 -3.041 7.584 109 HE2 LYS 13 1HE LYS 13 -6.803 -5.374 7.676 110 HE3 LYS 13 2HE LYS 13 -5.202 -4.827 7.178 111 HZ1 LYS 13 1HZ LYS 13 -6.612 -4.040 9.671 112 HZ2 LYS 13 2HZ LYS 13 -5.094 -3.477 9.192 113 HZ3 LYS 13 3HZ LYS 13 -5.310 -5.112 9.562 114 H ASN 14 H ASN 14 -5.146 -1.994 2.831 115 HA ASN 14 HA ASN 14 -7.622 -0.570 2.097 116 HB2 ASN 14 1HB ASN 14 -6.703 0.200 4.228 117 HB3 ASN 14 2HB ASN 14 -5.131 0.465 3.485 118 HD21 ASN 14 1HD2 ASN 14 -5.918 3.597 2.195 119 HD22 ASN 14 2HD2 ASN 14 -4.800 2.278 2.241 120 HA PRO 15 HA PRO 15 -4.998 -0.507 -1.650 121 HB2 PRO 15 2HB PRO 15 -6.939 -0.886 -3.450 122 HB3 PRO 15 1HB PRO 15 -6.388 -2.212 -2.417 123 HG2 PRO 15 2HG PRO 15 -8.818 -0.474 -2.133 124 HG3 PRO 15 1HG PRO 15 -8.673 -2.231 -1.938 125 HD2 PRO 15 2HD PRO 15 -8.666 -0.435 0.153 126 HD3 PRO 15 1HD PRO 15 -7.927 -2.047 0.220 127 H ASN 16 H ASN 16 -5.560 1.894 -0.350 128 HA ASN 16 HA ASN 16 -6.994 3.665 -2.138 129 HB2 ASN 16 1HB ASN 16 -7.191 4.065 0.246 130 HB3 ASN 16 2HB ASN 16 -5.443 4.186 0.412 131 HD21 ASN 16 1HD2 ASN 16 -7.635 7.332 -0.933 132 HD22 ASN 16 2HD2 ASN 16 -8.325 5.750 -0.788 133 H ASP 17 H ASP 17 -6.071 5.440 -3.222 134 HA ASP 17 HA ASP 17 -3.903 4.850 -4.807 135 HB2 ASP 17 1HB ASP 17 -3.900 7.301 -5.418 136 HB3 ASP 17 2HB ASP 17 -5.451 6.486 -5.568 137 H GLU 18 H GLU 18 -3.885 6.815 -1.831 138 HA GLU 18 HA GLU 18 -1.275 7.762 -1.940 139 HB2 GLU 18 1HB GLU 18 -2.974 6.943 0.420 140 HB3 GLU 18 2HB GLU 18 -1.367 7.624 0.625 141 HG2 GLU 18 1HG GLU 18 -3.681 8.981 -0.750 142 HG3 GLU 18 2HG GLU 18 -3.132 9.296 0.895 143 H ILE 19 H ILE 19 -2.448 4.660 -0.704 144 HA ILE 19 HA ILE 19 0.171 3.838 0.177 145 HB ILE 19 HB ILE 19 -2.403 2.234 0.000 146 HG12 ILE 19 1HG1 ILE 19 -2.371 2.522 2.523 147 HG13 ILE 19 2HG1 ILE 19 -1.098 3.715 2.303 148 HG21 ILE 19 1HG2 ILE 19 -1.290 0.652 1.519 149 HG22 ILE 19 2HG2 ILE 19 0.198 1.591 1.399 150 HG23 ILE 19 3HG2 ILE 19 -0.450 0.779 -0.027 151 HD11 ILE 19 1HD1 ILE 19 -3.908 3.893 1.242 152 HD12 ILE 19 2HD1 ILE 19 -2.635 5.084 0.976 153 HD13 ILE 19 3HD1 ILE 19 -3.235 4.785 2.605 154 H LYS 20 H LYS 20 -1.982 3.181 -2.516 155 HA LYS 20 HA LYS 20 -0.584 1.059 -3.706 156 HB2 LYS 20 1HB LYS 20 -2.862 1.725 -4.364 157 HB3 LYS 20 2HB LYS 20 -2.239 3.235 -5.019 158 HG2 LYS 20 1HG LYS 20 -0.908 1.932 -6.660 159 HG3 LYS 20 2HG LYS 20 -1.649 0.456 -6.035 160 HD2 LYS 20 1HD LYS 20 -3.865 1.292 -6.673 161 HD3 LYS 20 2HD LYS 20 -3.135 2.778 -7.283 162 HE2 LYS 20 1HE LYS 20 -1.856 1.441 -8.923 163 HE3 LYS 20 2HE LYS 20 -2.658 -0.015 -8.333 164 HZ1 LYS 20 1HZ LYS 20 -3.991 2.316 -9.606 165 HZ2 LYS 20 2HZ LYS 20 -4.780 0.944 -9.013 166 HZ3 LYS 20 3HZ LYS 20 -3.721 0.808 -10.321 167 H LYS 21 H LYS 21 -0.357 4.559 -4.179 168 HA LYS 21 HA LYS 21 1.779 4.468 -6.052 169 HB2 LYS 21 1HB LYS 21 0.247 6.402 -5.829 170 HB3 LYS 21 2HB LYS 21 0.903 6.729 -4.231 171 HG2 LYS 21 1HG LYS 21 3.109 7.157 -5.230 172 HG3 LYS 21 2HG LYS 21 2.431 6.853 -6.832 173 HD2 LYS 21 1HD LYS 21 1.578 9.042 -4.927 174 HD3 LYS 21 2HD LYS 21 2.580 9.254 -6.363 175 HE2 LYS 21 1HE LYS 21 -0.273 8.256 -6.350 176 HE3 LYS 21 2HE LYS 21 0.234 9.894 -6.759 177 HZ1 LYS 21 1HZ LYS 21 1.484 9.015 -8.617 178 HZ2 LYS 21 2HZ LYS 21 -0.138 8.550 -8.729 179 HZ3 LYS 21 3HZ LYS 21 1.027 7.436 -8.222 180 H LYS 22 H LYS 22 1.559 4.832 -2.549 181 HA LYS 22 HA LYS 22 4.198 5.411 -1.907 182 HB2 LYS 22 1HB LYS 22 2.003 5.059 -0.439 183 HB3 LYS 22 2HB LYS 22 2.667 3.447 -0.228 184 HG2 LYS 22 1HG LYS 22 3.424 4.641 1.624 185 HG3 LYS 22 2HG LYS 22 4.812 4.622 0.533 186 HD2 LYS 22 1HD LYS 22 4.309 6.883 -0.201 187 HD3 LYS 22 2HD LYS 22 2.835 6.902 0.769 188 HE2 LYS 22 1HE LYS 22 4.265 6.586 2.801 189 HE3 LYS 22 2HE LYS 22 5.680 6.789 1.770 190 HZ1 LYS 22 1HZ LYS 22 5.116 8.858 2.827 191 HZ2 LYS 22 2HZ LYS 22 3.539 8.795 2.228 192 HZ3 LYS 22 3HZ LYS 22 4.838 8.999 1.166 193 H LEU 23 H LEU 23 2.630 2.303 -2.471 194 HA LEU 23 HA LEU 23 4.934 0.690 -2.031 195 HB2 LEU 23 1HB LEU 23 2.455 0.030 -1.943 196 HB3 LEU 23 2HB LEU 23 2.512 -0.036 -3.690 197 HG LEU 23 HG LEU 23 2.703 -2.246 -2.467 198 HD11 LEU 23 1HD1 LEU 23 4.968 -1.549 -4.328 199 HD12 LEU 23 2HD1 LEU 23 3.337 -2.017 -4.810 200 HD13 LEU 23 3HD1 LEU 23 4.370 -3.168 -3.964 201 HD21 LEU 23 1HD2 LEU 23 4.173 -1.518 -0.663 202 HD22 LEU 23 2HD2 LEU 23 5.470 -1.222 -1.822 203 HD23 LEU 23 3HD2 LEU 23 4.878 -2.863 -1.557 204 H GLU 24 H GLU 24 3.419 2.146 -4.857 205 HA GLU 24 HA GLU 24 4.854 0.916 -6.902 206 HB2 GLU 24 1HB GLU 24 2.880 2.359 -7.247 207 HB3 GLU 24 2HB GLU 24 3.823 3.764 -6.774 208 HG2 GLU 24 1HG GLU 24 3.663 3.761 -9.141 209 HG3 GLU 24 2HG GLU 24 5.321 3.334 -8.724 210 H LYS 25 H LYS 25 5.648 3.800 -4.987 211 HA LYS 25 HA LYS 25 8.259 3.969 -6.339 212 HB2 LYS 25 1HB LYS 25 8.396 6.240 -5.369 213 HB3 LYS 25 2HB LYS 25 6.988 6.024 -6.398 214 HG2 LYS 25 1HG LYS 25 5.592 5.718 -4.389 215 HG3 LYS 25 2HG LYS 25 7.012 6.008 -3.383 216 HD2 LYS 25 1HD LYS 25 7.235 8.254 -4.298 217 HD3 LYS 25 2HD LYS 25 5.877 7.965 -5.389 218 HE2 LYS 25 1HE LYS 25 4.378 7.717 -3.481 219 HE3 LYS 25 2HE LYS 25 5.730 7.948 -2.371 220 HZ1 LYS 25 1HZ LYS 25 4.753 9.960 -4.325 221 HZ2 LYS 25 2HZ LYS 25 6.014 10.177 -3.219 222 HZ3 LYS 25 3HZ LYS 25 4.430 9.968 -2.664 223 H CYS 26 H CYS 26 7.383 2.115 -4.089 224 HA CYS 26 HA CYS 26 8.818 2.847 -1.757 225 HB2 CYS 26 2HB CYS 26 7.068 1.139 -1.705 226 HB3 CYS 26 1HB CYS 26 8.011 0.110 -2.777 227 H GLN 27 H GLN 27 9.696 1.196 -4.720 228 HA GLN 27 HA GLN 27 12.104 0.020 -3.971 229 HB2 GLN 27 1HB GLN 27 11.280 1.183 -6.643 230 HB3 GLN 27 2HB GLN 27 12.695 0.168 -6.402 231 HG2 GLN 27 1HG GLN 27 9.861 -0.689 -5.828 232 HG3 GLN 27 2HG GLN 27 10.732 -1.035 -7.322 233 HE21 GLN 27 1HE2 GLN 27 12.656 -3.629 -5.984 234 HE22 GLN 27 2HE2 GLN 27 12.449 -2.508 -7.282 235 H ALA 28 H ALA 28 11.382 3.356 -4.786 236 HA ALA 28 HA ALA 28 14.129 4.099 -4.074 237 HB1 ALA 28 1HB ALA 28 14.274 5.658 -5.955 238 HB2 ALA 28 2HB ALA 28 12.697 5.121 -6.535 239 HB3 ALA 28 3HB ALA 28 14.061 4.003 -6.525 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 14.526 -0.759 7.697 2 H2 ALA 1 2H ALA 1 15.684 -0.719 6.462 3 H3 ALA 1 3H ALA 1 15.890 -1.760 7.774 4 HA ALA 1 HA ALA 1 15.160 -2.978 5.847 5 HB1 ALA 1 1HB ALA 1 13.213 -4.089 6.845 6 HB2 ALA 1 2HB ALA 1 13.011 -2.738 7.962 7 HB3 ALA 1 3HB ALA 1 14.448 -3.756 8.061 8 H GLU 2 H GLU 2 13.890 -3.103 4.038 9 HA GLU 2 HA GLU 2 12.751 -0.720 3.073 10 HB2 GLU 2 1HB GLU 2 12.335 -3.534 2.023 11 HB3 GLU 2 2HB GLU 2 12.008 -2.044 1.146 12 HG2 GLU 2 1HG GLU 2 14.663 -3.190 1.954 13 HG3 GLU 2 2HG GLU 2 14.069 -2.832 0.334 14 H ASP 3 H ASP 3 10.836 0.153 3.373 15 HA ASP 3 HA ASP 3 8.930 -1.124 5.090 16 HB2 ASP 3 1HB ASP 3 7.673 0.985 4.926 17 HB3 ASP 3 2HB ASP 3 9.357 1.261 5.334 18 H CYS 4 H CYS 4 9.457 -1.483 1.871 19 HA CYS 4 HA CYS 4 7.077 -1.459 0.546 20 HB2 CYS 4 2HB CYS 4 9.202 -3.615 0.531 21 HB3 CYS 4 1HB CYS 4 7.861 -3.573 -0.609 22 H GLU 5 H GLU 5 8.131 -3.865 2.915 23 HA GLU 5 HA GLU 5 6.010 -5.666 2.767 24 HB2 GLU 5 1HB GLU 5 7.996 -6.149 4.080 25 HB3 GLU 5 2HB GLU 5 7.674 -4.789 5.146 26 HG2 GLU 5 1HG GLU 5 5.605 -5.920 5.905 27 HG3 GLU 5 2HG GLU 5 6.032 -7.307 4.904 28 H ARG 6 H ARG 6 6.350 -2.673 4.589 29 HA ARG 6 HA ARG 6 3.905 -2.972 6.037 30 HB2 ARG 6 1HB ARG 6 5.762 -0.603 5.678 31 HB3 ARG 6 2HB ARG 6 4.360 -0.588 6.734 32 HG2 ARG 6 1HG ARG 6 6.197 -1.038 8.131 33 HG3 ARG 6 2HG ARG 6 5.387 -2.590 7.915 34 HD2 ARG 6 1HD ARG 6 7.114 -2.769 5.893 35 HD3 ARG 6 2HD ARG 6 8.029 -1.655 6.905 36 HE ARG 6 HE ARG 6 7.173 -4.368 7.688 37 HH11 ARG 6 1HH1 ARG 6 9.303 -1.615 8.099 38 HH12 ARG 6 2HH1 ARG 6 10.405 -2.474 9.130 39 HH21 ARG 6 1HH2 ARG 6 8.629 -5.502 8.967 40 HH22 ARG 6 2HH2 ARG 6 10.029 -4.700 9.614 41 H ILE 7 H ILE 7 4.948 -1.008 3.268 42 HA ILE 7 HA ILE 7 2.572 0.389 2.812 43 HB ILE 7 HB ILE 7 4.494 -0.653 0.704 44 HG12 ILE 7 1HG1 ILE 7 4.540 1.964 2.238 45 HG13 ILE 7 2HG1 ILE 7 5.669 0.629 2.451 46 HG21 ILE 7 1HG2 ILE 7 3.717 1.209 -0.662 47 HG22 ILE 7 2HG2 ILE 7 2.602 1.702 0.617 48 HG23 ILE 7 3HG2 ILE 7 2.369 0.162 -0.213 49 HD11 ILE 7 1HD1 ILE 7 6.443 0.942 0.145 50 HD12 ILE 7 2HD1 ILE 7 6.664 2.384 1.132 51 HD13 ILE 7 3HD1 ILE 7 5.338 2.307 -0.027 52 H ARG 8 H ARG 8 3.658 -2.661 1.263 53 HA ARG 8 HA ARG 8 1.372 -3.470 -0.012 54 HB2 ARG 8 1HB ARG 8 3.464 -4.772 -0.034 55 HB3 ARG 8 2HB ARG 8 3.218 -5.204 1.654 56 HG2 ARG 8 1HG ARG 8 1.016 -6.256 0.887 57 HG3 ARG 8 2HG ARG 8 1.652 -6.098 -0.750 58 HD2 ARG 8 1HD ARG 8 2.938 -7.614 1.522 59 HD3 ARG 8 2HD ARG 8 2.075 -8.328 0.161 60 HE ARG 8 HE ARG 8 4.773 -7.310 0.191 61 HH11 ARG 8 1HH1 ARG 8 2.024 -8.091 -1.832 62 HH12 ARG 8 2HH1 ARG 8 2.983 -8.343 -3.255 63 HH21 ARG 8 1HH2 ARG 8 6.042 -7.680 -1.654 64 HH22 ARG 8 2HH2 ARG 8 5.279 -8.126 -3.151 65 H LYS 9 H LYS 9 2.215 -4.096 3.366 66 HA LYS 9 HA LYS 9 -0.045 -5.538 4.097 67 HB2 LYS 9 1HB LYS 9 2.147 -5.238 5.359 68 HB3 LYS 9 2HB LYS 9 1.514 -3.699 5.919 69 HG2 LYS 9 1HG LYS 9 -0.358 -4.877 6.994 70 HG3 LYS 9 2HG LYS 9 0.326 -6.416 6.460 71 HD2 LYS 9 1HD LYS 9 2.441 -5.757 7.709 72 HD3 LYS 9 2HD LYS 9 1.506 -4.438 8.416 73 HE2 LYS 9 1HE LYS 9 1.520 -6.287 9.953 74 HE3 LYS 9 2HE LYS 9 -0.106 -6.124 9.284 75 HZ1 LYS 9 1HZ LYS 9 0.585 -8.426 9.333 76 HZ2 LYS 9 2HZ LYS 9 1.952 -8.077 8.403 77 HZ3 LYS 9 3HZ LYS 9 0.406 -7.916 7.734 78 H GLU 10 H GLU 10 0.530 -2.077 4.081 79 HA GLU 10 HA GLU 10 -1.913 -1.365 5.391 80 HB2 GLU 10 1HB GLU 10 0.022 0.255 3.712 81 HB3 GLU 10 2HB GLU 10 -1.315 0.943 4.620 82 HG2 GLU 10 1HG GLU 10 1.011 -0.569 5.800 83 HG3 GLU 10 2HG GLU 10 0.830 1.184 5.781 84 H LEU 11 H LEU 11 -0.889 -1.939 2.121 85 HA LEU 11 HA LEU 11 -3.145 -0.591 0.899 86 HB2 LEU 11 1HB LEU 11 -0.894 -0.667 -0.157 87 HB3 LEU 11 2HB LEU 11 -1.064 -2.403 -0.347 88 HG LEU 11 HG LEU 11 -2.983 -2.048 -1.857 89 HD11 LEU 11 1HD1 LEU 11 -3.832 0.037 -0.961 90 HD12 LEU 11 2HD1 LEU 11 -3.491 0.208 -2.682 91 HD13 LEU 11 3HD1 LEU 11 -2.379 0.887 -1.492 92 HD21 LEU 11 1HD2 LEU 11 -1.727 -1.159 -3.754 93 HD22 LEU 11 2HD2 LEU 11 -0.740 -2.254 -2.788 94 HD23 LEU 11 3HD2 LEU 11 -0.512 -0.510 -2.655 95 H GLU 12 H GLU 12 -2.224 -3.834 1.783 96 HA GLU 12 HA GLU 12 -3.989 -5.306 0.227 97 HB2 GLU 12 1HB GLU 12 -2.015 -6.114 1.595 98 HB3 GLU 12 2HB GLU 12 -3.036 -5.969 3.020 99 HG2 GLU 12 1HG GLU 12 -3.059 -8.225 2.354 100 HG3 GLU 12 2HG GLU 12 -4.627 -7.536 1.940 101 H LYS 13 H LYS 13 -4.323 -3.866 3.438 102 HA LYS 13 HA LYS 13 -7.067 -4.739 3.716 103 HB2 LYS 13 1HB LYS 13 -5.391 -2.871 5.417 104 HB3 LYS 13 2HB LYS 13 -7.013 -3.420 5.826 105 HG2 LYS 13 1HG LYS 13 -4.573 -5.169 5.509 106 HG3 LYS 13 2HG LYS 13 -5.333 -4.696 7.031 107 HD2 LYS 13 1HD LYS 13 -7.349 -5.904 6.452 108 HD3 LYS 13 2HD LYS 13 -6.710 -6.279 4.851 109 HE2 LYS 13 1HE LYS 13 -6.501 -8.216 6.278 110 HE3 LYS 13 2HE LYS 13 -4.896 -7.582 5.916 111 HZ1 LYS 13 1HZ LYS 13 -6.408 -7.090 8.429 112 HZ2 LYS 13 2HZ LYS 13 -4.851 -6.537 8.082 113 HZ3 LYS 13 3HZ LYS 13 -5.139 -8.193 8.250 114 H ASN 14 H ASN 14 -5.436 -1.569 3.486 115 HA ASN 14 HA ASN 14 -8.010 -0.377 2.682 116 HB2 ASN 14 1HB ASN 14 -5.564 0.893 3.941 117 HB3 ASN 14 2HB ASN 14 -6.973 1.792 3.389 118 HD21 ASN 14 1HD2 ASN 14 -8.964 -0.057 5.995 119 HD22 ASN 14 2HD2 ASN 14 -8.941 -0.114 4.266 120 HA PRO 15 HA PRO 15 -5.871 0.011 -1.299 121 HB2 PRO 15 2HB PRO 15 -8.082 0.630 -2.743 122 HB3 PRO 15 1HB PRO 15 -7.709 -1.024 -2.245 123 HG2 PRO 15 2HG PRO 15 -9.610 0.940 -1.011 124 HG3 PRO 15 1HG PRO 15 -9.838 -0.792 -1.330 125 HD2 PRO 15 2HD PRO 15 -9.181 0.186 1.128 126 HD3 PRO 15 1HD PRO 15 -8.685 -1.422 0.563 127 H ASN 16 H ASN 16 -5.158 1.970 0.207 128 HA ASN 16 HA ASN 16 -6.448 4.488 -0.330 129 HB2 ASN 16 1HB ASN 16 -5.393 4.114 1.840 130 HB3 ASN 16 2HB ASN 16 -3.836 3.835 1.066 131 HD21 ASN 16 1HD2 ASN 16 -5.178 7.602 1.750 132 HD22 ASN 16 2HD2 ASN 16 -6.175 6.214 2.022 133 H ASP 17 H ASP 17 -5.900 6.003 -1.760 134 HA ASP 17 HA ASP 17 -4.631 5.504 -4.130 135 HB2 ASP 17 1HB ASP 17 -4.873 8.156 -2.683 136 HB3 ASP 17 2HB ASP 17 -4.431 7.987 -4.378 137 H GLU 18 H GLU 18 -3.219 7.380 -1.456 138 HA GLU 18 HA GLU 18 -0.724 7.725 -2.670 139 HB2 GLU 18 1HB GLU 18 -1.537 7.832 0.235 140 HB3 GLU 18 2HB GLU 18 0.067 8.271 -0.337 141 HG2 GLU 18 1HG GLU 18 -2.540 9.596 -1.070 142 HG3 GLU 18 2HG GLU 18 -1.258 10.258 -0.055 143 H ILE 19 H ILE 19 -1.765 5.353 -0.218 144 HA ILE 19 HA ILE 19 0.680 4.119 0.209 145 HB ILE 19 HB ILE 19 -2.059 2.829 0.226 146 HG12 ILE 19 1HG1 ILE 19 -1.867 4.711 1.787 147 HG13 ILE 19 2HG1 ILE 19 -1.941 3.191 2.670 148 HG21 ILE 19 1HG2 ILE 19 -1.043 1.110 1.672 149 HG22 ILE 19 2HG2 ILE 19 0.542 1.834 1.402 150 HG23 ILE 19 3HG2 ILE 19 -0.342 1.119 0.054 151 HD11 ILE 19 1HD1 ILE 19 -0.315 4.699 3.648 152 HD12 ILE 19 2HD1 ILE 19 0.551 4.791 2.114 153 HD13 ILE 19 3HD1 ILE 19 0.480 3.266 2.998 154 H LYS 20 H LYS 20 -1.781 3.313 -2.248 155 HA LYS 20 HA LYS 20 -0.361 1.182 -3.428 156 HB2 LYS 20 1HB LYS 20 -2.799 1.816 -3.837 157 HB3 LYS 20 2HB LYS 20 -2.200 3.067 -4.919 158 HG2 LYS 20 1HG LYS 20 -1.038 1.276 -6.229 159 HG3 LYS 20 2HG LYS 20 -1.848 0.085 -5.211 160 HD2 LYS 20 1HD LYS 20 -3.208 0.230 -7.119 161 HD3 LYS 20 2HD LYS 20 -4.034 1.233 -5.923 162 HE2 LYS 20 1HE LYS 20 -4.048 2.437 -7.978 163 HE3 LYS 20 2HE LYS 20 -2.865 3.222 -6.934 164 HZ1 LYS 20 1HZ LYS 20 -1.108 2.018 -8.109 165 HZ2 LYS 20 2HZ LYS 20 -2.017 2.969 -9.170 166 HZ3 LYS 20 3HZ LYS 20 -2.263 1.301 -9.116 167 H LYS 21 H LYS 21 -0.450 4.644 -4.103 168 HA LYS 21 HA LYS 21 1.238 4.544 -6.384 169 HB2 LYS 21 1HB LYS 21 -0.383 6.337 -6.044 170 HB3 LYS 21 2HB LYS 21 0.465 6.866 -4.600 171 HG2 LYS 21 1HG LYS 21 2.243 7.756 -5.814 172 HG3 LYS 21 2HG LYS 21 1.859 6.814 -7.255 173 HD2 LYS 21 1HD LYS 21 1.304 9.243 -7.448 174 HD3 LYS 21 2HD LYS 21 -0.069 8.168 -7.713 175 HE2 LYS 21 1HE LYS 21 -0.692 10.093 -6.341 176 HE3 LYS 21 2HE LYS 21 -0.854 8.591 -5.437 177 HZ1 LYS 21 1HZ LYS 21 0.171 10.334 -4.116 178 HZ2 LYS 21 2HZ LYS 21 1.427 10.486 -5.237 179 HZ3 LYS 21 3HZ LYS 21 1.249 9.056 -4.357 180 H LYS 22 H LYS 22 1.901 4.511 -3.000 181 HA LYS 22 HA LYS 22 4.664 5.327 -3.294 182 HB2 LYS 22 1HB LYS 22 3.316 3.906 -0.974 183 HB3 LYS 22 2HB LYS 22 4.925 4.615 -0.949 184 HG2 LYS 22 1HG LYS 22 2.320 6.102 -1.250 185 HG3 LYS 22 2HG LYS 22 3.340 6.053 0.185 186 HD2 LYS 22 1HD LYS 22 5.122 7.214 -1.015 187 HD3 LYS 22 2HD LYS 22 4.159 7.199 -2.495 188 HE2 LYS 22 1HE LYS 22 2.450 8.578 -1.391 189 HE3 LYS 22 2HE LYS 22 3.414 8.595 0.083 190 HZ1 LYS 22 1HZ LYS 22 3.668 10.614 -1.260 191 HZ2 LYS 22 2HZ LYS 22 4.306 9.695 -2.526 192 HZ3 LYS 22 3HZ LYS 22 5.130 9.794 -1.058 193 H LEU 23 H LEU 23 2.890 2.296 -2.746 194 HA LEU 23 HA LEU 23 5.109 0.561 -2.857 195 HB2 LEU 23 1HB LEU 23 2.715 0.057 -2.083 196 HB3 LEU 23 2HB LEU 23 2.320 -0.141 -3.777 197 HG LEU 23 HG LEU 23 3.994 -1.978 -3.923 198 HD11 LEU 23 1HD1 LEU 23 4.194 -1.658 -0.932 199 HD12 LEU 23 2HD1 LEU 23 5.462 -1.280 -2.098 200 HD13 LEU 23 3HD1 LEU 23 4.921 -2.945 -1.895 201 HD21 LEU 23 1HD2 LEU 23 2.669 -3.636 -2.716 202 HD22 LEU 23 2HD2 LEU 23 1.632 -2.474 -3.544 203 HD23 LEU 23 3HD2 LEU 23 1.880 -2.350 -1.802 204 H GLU 24 H GLU 24 3.261 2.184 -5.265 205 HA GLU 24 HA GLU 24 3.695 0.704 -7.561 206 HB2 GLU 24 1HB GLU 24 2.374 2.945 -7.092 207 HB3 GLU 24 2HB GLU 24 3.861 3.707 -7.635 208 HG2 GLU 24 1HG GLU 24 2.446 3.584 -9.513 209 HG3 GLU 24 2HG GLU 24 3.667 2.329 -9.739 210 H LYS 25 H LYS 25 5.850 2.915 -5.869 211 HA LYS 25 HA LYS 25 7.851 2.887 -7.950 212 HB2 LYS 25 1HB LYS 25 7.805 4.005 -5.145 213 HB3 LYS 25 2HB LYS 25 9.269 4.010 -6.118 214 HG2 LYS 25 1HG LYS 25 8.198 6.156 -6.283 215 HG3 LYS 25 2HG LYS 25 8.086 5.335 -7.841 216 HD2 LYS 25 1HD LYS 25 5.773 4.629 -7.237 217 HD3 LYS 25 2HD LYS 25 5.906 5.588 -5.764 218 HE2 LYS 25 1HE LYS 25 4.706 6.821 -7.484 219 HE3 LYS 25 2HE LYS 25 6.239 7.609 -7.119 220 HZ1 LYS 25 1HZ LYS 25 5.808 7.507 -9.502 221 HZ2 LYS 25 2HZ LYS 25 5.745 5.818 -9.436 222 HZ3 LYS 25 3HZ LYS 25 7.190 6.623 -9.095 223 H CYS 26 H CYS 26 7.176 1.150 -5.004 224 HA CYS 26 HA CYS 26 9.716 -0.157 -4.835 225 HB2 CYS 26 2HB CYS 26 8.367 0.032 -2.829 226 HB3 CYS 26 1HB CYS 26 7.029 -0.819 -3.594 227 H GLN 27 H GLN 27 6.711 -0.727 -6.479 228 HA GLN 27 HA GLN 27 7.779 -2.727 -8.173 229 HB2 GLN 27 1HB GLN 27 6.227 -4.573 -7.434 230 HB3 GLN 27 2HB GLN 27 7.545 -4.227 -6.322 231 HG2 GLN 27 1HG GLN 27 5.987 -2.888 -4.946 232 HG3 GLN 27 2HG GLN 27 4.676 -3.348 -6.031 233 HE21 GLN 27 1HE2 GLN 27 6.307 -6.559 -4.149 234 HE22 GLN 27 2HE2 GLN 27 7.292 -5.472 -5.057 235 H ALA 28 H ALA 28 6.912 -1.875 -9.949 236 HA ALA 28 HA ALA 28 4.058 -1.156 -9.972 237 HB1 ALA 28 1HB ALA 28 5.590 0.637 -10.627 238 HB2 ALA 28 2HB ALA 28 4.579 0.145 -11.986 239 HB3 ALA 28 3HB ALA 28 6.259 -0.386 -11.899 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 13.648 7.058 2.489 2 H2 ALA 1 2H ALA 1 13.509 6.522 4.088 3 H3 ALA 1 3H ALA 1 12.131 6.977 3.228 4 HA ALA 1 HA ALA 1 12.337 5.150 1.747 5 HB1 ALA 1 1HB ALA 1 14.121 3.499 2.001 6 HB2 ALA 1 2HB ALA 1 14.835 4.460 3.297 7 HB3 ALA 1 3HB ALA 1 14.780 5.096 1.653 8 H GLU 2 H GLU 2 10.589 4.109 2.432 9 HA GLU 2 HA GLU 2 10.658 2.833 5.089 10 HB2 GLU 2 1HB GLU 2 8.120 2.942 4.955 11 HB3 GLU 2 2HB GLU 2 8.954 4.462 5.221 12 HG2 GLU 2 1HG GLU 2 8.047 3.579 2.494 13 HG3 GLU 2 2HG GLU 2 7.006 4.473 3.598 14 H ASP 3 H ASP 3 9.894 0.729 5.262 15 HA ASP 3 HA ASP 3 10.725 -0.951 3.196 16 HB2 ASP 3 1HB ASP 3 8.965 -1.624 5.568 17 HB3 ASP 3 2HB ASP 3 9.828 -2.795 4.575 18 H CYS 4 H CYS 4 9.797 -1.542 1.384 19 HA CYS 4 HA CYS 4 7.222 -0.725 0.612 20 HB2 CYS 4 2HB CYS 4 9.127 -2.728 -0.617 21 HB3 CYS 4 1HB CYS 4 7.646 -2.176 -1.397 22 H GLU 5 H GLU 5 8.446 -3.847 1.771 23 HA GLU 5 HA GLU 5 6.118 -5.350 1.317 24 HB2 GLU 5 1HB GLU 5 8.201 -6.453 1.906 25 HB3 GLU 5 2HB GLU 5 8.230 -5.652 3.471 26 HG2 GLU 5 1HG GLU 5 7.540 -7.909 3.805 27 HG3 GLU 5 2HG GLU 5 6.143 -6.871 4.075 28 H ARG 6 H ARG 6 7.085 -3.316 4.032 29 HA ARG 6 HA ARG 6 4.880 -3.952 5.691 30 HB2 ARG 6 1HB ARG 6 6.625 -1.474 5.653 31 HB3 ARG 6 2HB ARG 6 5.508 -1.904 6.943 32 HG2 ARG 6 1HG ARG 6 7.898 -3.544 6.093 33 HG3 ARG 6 2HG ARG 6 7.841 -2.465 7.487 34 HD2 ARG 6 1HD ARG 6 6.026 -4.848 7.091 35 HD3 ARG 6 2HD ARG 6 7.504 -4.867 8.053 36 HE ARG 6 HE ARG 6 6.275 -2.910 9.264 37 HH11 ARG 6 1HH1 ARG 6 4.892 -5.923 8.133 38 HH12 ARG 6 2HH1 ARG 6 3.626 -5.926 9.323 39 HH21 ARG 6 1HH2 ARG 6 4.612 -2.933 10.830 40 HH22 ARG 6 2HH2 ARG 6 3.465 -4.236 10.841 41 H ILE 7 H ILE 7 5.499 -1.311 3.393 42 HA ILE 7 HA ILE 7 3.040 0.033 3.639 43 HB ILE 7 HB ILE 7 4.770 -0.297 1.167 44 HG12 ILE 7 1HG1 ILE 7 4.732 1.886 3.265 45 HG13 ILE 7 2HG1 ILE 7 6.000 0.682 3.048 46 HG21 ILE 7 1HG2 ILE 7 3.705 1.791 0.377 47 HG22 ILE 7 2HG2 ILE 7 2.617 1.733 1.764 48 HG23 ILE 7 3HG2 ILE 7 2.554 0.464 0.542 49 HD11 ILE 7 1HD1 ILE 7 6.686 2.777 2.099 50 HD12 ILE 7 2HD1 ILE 7 5.232 2.848 1.108 51 HD13 ILE 7 3HD1 ILE 7 6.444 1.602 0.811 52 H ARG 8 H ARG 8 4.011 -2.696 1.621 53 HA ARG 8 HA ARG 8 1.647 -2.967 0.123 54 HB2 ARG 8 1HB ARG 8 3.917 -4.047 -0.290 55 HB3 ARG 8 2HB ARG 8 3.501 -5.214 0.949 56 HG2 ARG 8 1HG ARG 8 1.692 -4.794 -1.409 57 HG3 ARG 8 2HG ARG 8 3.124 -5.813 -1.547 58 HD2 ARG 8 1HD ARG 8 0.859 -6.184 0.421 59 HD3 ARG 8 2HD ARG 8 1.136 -7.141 -1.036 60 HE ARG 8 HE ARG 8 3.384 -7.122 0.763 61 HH11 ARG 8 1HH1 ARG 8 0.331 -8.689 0.055 62 HH12 ARG 8 2HH1 ARG 8 0.781 -10.175 0.826 63 HH21 ARG 8 1HH2 ARG 8 3.963 -9.058 1.773 64 HH22 ARG 8 2HH2 ARG 8 2.838 -10.385 1.817 65 H LYS 9 H LYS 9 2.708 -4.316 3.190 66 HA LYS 9 HA LYS 9 0.466 -5.945 3.682 67 HB2 LYS 9 1HB LYS 9 2.518 -4.686 5.497 68 HB3 LYS 9 2HB LYS 9 1.195 -5.650 6.142 69 HG2 LYS 9 1HG LYS 9 3.240 -6.619 4.146 70 HG3 LYS 9 2HG LYS 9 3.266 -6.941 5.881 71 HD2 LYS 9 1HD LYS 9 0.990 -7.745 4.060 72 HD3 LYS 9 2HD LYS 9 2.343 -8.802 4.461 73 HE2 LYS 9 1HE LYS 9 0.502 -9.354 5.900 74 HE3 LYS 9 2HE LYS 9 1.743 -8.568 6.869 75 HZ1 LYS 9 1HZ LYS 9 -0.539 -7.818 7.361 76 HZ2 LYS 9 2HZ LYS 9 -0.660 -7.186 5.803 77 HZ3 LYS 9 3HZ LYS 9 0.471 -6.555 6.887 78 H GLU 10 H GLU 10 1.114 -2.566 4.473 79 HA GLU 10 HA GLU 10 -1.318 -2.134 5.883 80 HB2 GLU 10 1HB GLU 10 0.433 -0.145 4.410 81 HB3 GLU 10 2HB GLU 10 -0.817 0.265 5.569 82 HG2 GLU 10 1HG GLU 10 1.754 -1.201 6.110 83 HG3 GLU 10 2HG GLU 10 1.318 0.422 6.641 84 H LEU 11 H LEU 11 -0.358 -2.001 2.533 85 HA LEU 11 HA LEU 11 -2.742 -0.756 1.534 86 HB2 LEU 11 1HB LEU 11 -0.345 -0.903 0.500 87 HB3 LEU 11 2HB LEU 11 -0.856 -2.470 -0.087 88 HG LEU 11 HG LEU 11 -1.008 -0.616 -1.764 89 HD11 LEU 11 1HD1 LEU 11 -3.164 -1.234 -2.669 90 HD12 LEU 11 2HD1 LEU 11 -3.658 -1.902 -1.115 91 HD13 LEU 11 3HD1 LEU 11 -2.346 -2.654 -2.020 92 HD21 LEU 11 1HD2 LEU 11 -2.857 0.984 -1.585 93 HD22 LEU 11 2HD2 LEU 11 -1.686 1.183 -0.285 94 HD23 LEU 11 3HD2 LEU 11 -3.222 0.378 0.030 95 H GLU 12 H GLU 12 -1.709 -3.956 2.310 96 HA GLU 12 HA GLU 12 -3.510 -5.516 0.854 97 HB2 GLU 12 1HB GLU 12 -1.478 -6.317 2.066 98 HB3 GLU 12 2HB GLU 12 -2.299 -6.009 3.589 99 HG2 GLU 12 1HG GLU 12 -2.496 -8.296 3.250 100 HG3 GLU 12 2HG GLU 12 -4.064 -7.636 2.797 101 H LYS 13 H LYS 13 -3.685 -4.046 4.072 102 HA LYS 13 HA LYS 13 -6.308 -5.096 4.610 103 HB2 LYS 13 1HB LYS 13 -4.793 -4.786 6.471 104 HB3 LYS 13 2HB LYS 13 -4.594 -3.083 6.086 105 HG2 LYS 13 1HG LYS 13 -6.056 -3.391 8.015 106 HG3 LYS 13 2HG LYS 13 -6.926 -2.656 6.669 107 HD2 LYS 13 1HD LYS 13 -8.334 -4.329 7.681 108 HD3 LYS 13 2HD LYS 13 -7.832 -4.902 6.090 109 HE2 LYS 13 1HE LYS 13 -7.711 -6.714 7.689 110 HE3 LYS 13 2HE LYS 13 -6.084 -6.279 7.167 111 HZ1 LYS 13 1HZ LYS 13 -6.289 -6.656 9.582 112 HZ2 LYS 13 2HZ LYS 13 -7.343 -5.337 9.688 113 HZ3 LYS 13 3HZ LYS 13 -5.737 -5.101 9.208 114 H ASN 14 H ASN 14 -5.002 -1.801 4.100 115 HA ASN 14 HA ASN 14 -7.718 -0.975 3.282 116 HB2 ASN 14 1HB ASN 14 -7.097 -0.153 5.574 117 HB3 ASN 14 2HB ASN 14 -5.765 0.735 4.843 118 HD21 ASN 14 1HD2 ASN 14 -7.763 3.309 3.576 119 HD22 ASN 14 2HD2 ASN 14 -6.222 2.527 3.539 120 HA PRO 15 HA PRO 15 -5.060 0.069 -0.227 121 HB2 PRO 15 2HB PRO 15 -6.966 -0.004 -2.122 122 HB3 PRO 15 1HB PRO 15 -6.311 -1.482 -1.404 123 HG2 PRO 15 2HG PRO 15 -8.874 -0.050 -0.788 124 HG3 PRO 15 1HG PRO 15 -8.582 -1.791 -0.971 125 HD2 PRO 15 2HD PRO 15 -8.740 -0.514 1.456 126 HD3 PRO 15 1HD PRO 15 -7.830 -2.012 1.186 127 H ASN 16 H ASN 16 -4.432 2.153 -0.138 128 HA ASN 16 HA ASN 16 -6.398 4.224 -0.910 129 HB2 ASN 16 1HB ASN 16 -3.804 4.603 0.627 130 HB3 ASN 16 2HB ASN 16 -4.920 5.882 0.163 131 HD21 ASN 16 1HD2 ASN 16 -7.202 5.271 2.742 132 HD22 ASN 16 2HD2 ASN 16 -6.937 6.015 1.204 133 H ASP 17 H ASP 17 -5.876 5.524 -2.650 134 HA ASP 17 HA ASP 17 -4.172 4.445 -4.607 135 HB2 ASP 17 1HB ASP 17 -4.708 6.341 -5.955 136 HB3 ASP 17 2HB ASP 17 -6.149 5.969 -5.020 137 H GLU 18 H GLU 18 -3.710 7.107 -2.327 138 HA GLU 18 HA GLU 18 -1.235 8.037 -3.189 139 HB2 GLU 18 1HB GLU 18 -2.298 7.822 -0.362 140 HB3 GLU 18 2HB GLU 18 -0.891 8.770 -0.832 141 HG2 GLU 18 1HG GLU 18 -2.313 10.150 -2.280 142 HG3 GLU 18 2HG GLU 18 -3.720 9.210 -1.779 143 H ILE 19 H ILE 19 -1.862 5.634 -0.639 144 HA ILE 19 HA ILE 19 0.812 4.930 -0.170 145 HB ILE 19 HB ILE 19 -1.683 3.247 0.224 146 HG12 ILE 19 1HG1 ILE 19 -1.800 5.415 1.392 147 HG13 ILE 19 2HG1 ILE 19 -1.658 4.085 2.536 148 HG21 ILE 19 1HG2 ILE 19 1.062 2.974 1.454 149 HG22 ILE 19 2HG2 ILE 19 0.307 1.865 0.307 150 HG23 ILE 19 3HG2 ILE 19 -0.365 2.049 1.927 151 HD11 ILE 19 1HD1 ILE 19 -0.294 5.997 3.180 152 HD12 ILE 19 2HD1 ILE 19 0.590 5.890 1.655 153 HD13 ILE 19 3HD1 ILE 19 0.704 4.584 2.835 154 H LYS 20 H LYS 20 -1.626 3.592 -2.316 155 HA LYS 20 HA LYS 20 -0.278 1.339 -3.266 156 HB2 LYS 20 1HB LYS 20 -2.671 1.745 -3.584 157 HB3 LYS 20 2HB LYS 20 -2.321 3.119 -4.619 158 HG2 LYS 20 1HG LYS 20 -1.307 1.601 -6.270 159 HG3 LYS 20 2HG LYS 20 -1.701 0.229 -5.225 160 HD2 LYS 20 1HD LYS 20 -4.082 0.760 -5.401 161 HD3 LYS 20 2HD LYS 20 -3.708 2.167 -6.396 162 HE2 LYS 20 1HE LYS 20 -2.748 0.677 -8.107 163 HE3 LYS 20 2HE LYS 20 -3.184 -0.718 -7.116 164 HZ1 LYS 20 1HZ LYS 20 -5.129 1.264 -8.168 165 HZ2 LYS 20 2HZ LYS 20 -5.489 -0.172 -7.350 166 HZ3 LYS 20 3HZ LYS 20 -4.798 -0.225 -8.890 167 H LYS 21 H LYS 21 -0.215 4.697 -4.329 168 HA LYS 21 HA LYS 21 1.457 4.147 -6.619 169 HB2 LYS 21 1HB LYS 21 -0.228 5.966 -6.621 170 HB3 LYS 21 2HB LYS 21 0.684 6.791 -5.363 171 HG2 LYS 21 1HG LYS 21 2.597 6.993 -6.903 172 HG3 LYS 21 2HG LYS 21 1.649 6.203 -8.163 173 HD2 LYS 21 1HD LYS 21 -0.004 8.033 -8.048 174 HD3 LYS 21 2HD LYS 21 0.977 8.827 -6.812 175 HE2 LYS 21 1HE LYS 21 2.828 9.019 -8.413 176 HE3 LYS 21 2HE LYS 21 1.844 8.229 -9.646 177 HZ1 LYS 21 1HZ LYS 21 0.255 10.074 -9.448 178 HZ2 LYS 21 2HZ LYS 21 1.785 10.589 -9.955 179 HZ3 LYS 21 3HZ LYS 21 1.295 10.845 -8.357 180 H LYS 22 H LYS 22 1.867 5.401 -3.350 181 HA LYS 22 HA LYS 22 4.556 6.260 -3.709 182 HB2 LYS 22 1HB LYS 22 2.903 5.714 -1.242 183 HB3 LYS 22 2HB LYS 22 4.565 6.293 -1.161 184 HG2 LYS 22 1HG LYS 22 3.905 8.268 -2.501 185 HG3 LYS 22 2HG LYS 22 2.239 7.692 -2.483 186 HD2 LYS 22 1HD LYS 22 2.180 7.896 -0.049 187 HD3 LYS 22 2HD LYS 22 3.866 8.422 -0.041 188 HE2 LYS 22 1HE LYS 22 3.225 10.378 -1.420 189 HE3 LYS 22 2HE LYS 22 1.542 9.861 -1.332 190 HZ1 LYS 22 1HZ LYS 22 2.051 11.585 0.286 191 HZ2 LYS 22 2HZ LYS 22 3.232 10.601 0.994 192 HZ3 LYS 22 3HZ LYS 22 1.605 10.146 1.057 193 H LEU 23 H LEU 23 3.061 3.236 -2.986 194 HA LEU 23 HA LEU 23 5.197 1.775 -1.941 195 HB2 LEU 23 1HB LEU 23 2.670 1.168 -2.508 196 HB3 LEU 23 2HB LEU 23 3.373 0.551 -3.987 197 HG LEU 23 HG LEU 23 4.117 -0.369 -1.200 198 HD11 LEU 23 1HD1 LEU 23 2.380 -1.683 -3.288 199 HD12 LEU 23 2HD1 LEU 23 1.842 -1.004 -1.751 200 HD13 LEU 23 3HD1 LEU 23 2.896 -2.417 -1.769 201 HD21 LEU 23 1HD2 LEU 23 5.963 -0.657 -2.749 202 HD22 LEU 23 2HD2 LEU 23 4.900 -1.454 -3.908 203 HD23 LEU 23 3HD2 LEU 23 5.251 -2.221 -2.360 204 H GLU 24 H GLU 24 4.570 2.948 -5.162 205 HA GLU 24 HA GLU 24 6.321 1.292 -6.613 206 HB2 GLU 24 1HB GLU 24 5.422 4.125 -7.180 207 HB3 GLU 24 2HB GLU 24 6.250 3.091 -8.334 208 HG2 GLU 24 1HG GLU 24 3.551 2.544 -7.106 209 HG3 GLU 24 2HG GLU 24 3.843 3.169 -8.729 210 H LYS 25 H LYS 25 6.903 4.162 -4.670 211 HA LYS 25 HA LYS 25 9.705 4.163 -5.607 212 HB2 LYS 25 1HB LYS 25 8.261 6.132 -6.338 213 HB3 LYS 25 2HB LYS 25 8.243 6.624 -4.647 214 HG2 LYS 25 1HG LYS 25 10.580 6.981 -4.621 215 HG3 LYS 25 2HG LYS 25 10.798 6.144 -6.156 216 HD2 LYS 25 1HD LYS 25 9.403 7.979 -7.208 217 HD3 LYS 25 2HD LYS 25 9.557 8.846 -5.675 218 HE2 LYS 25 1HE LYS 25 11.253 9.532 -7.342 219 HE3 LYS 25 2HE LYS 25 11.966 8.862 -5.875 220 HZ1 LYS 25 1HZ LYS 25 12.315 6.777 -7.010 221 HZ2 LYS 25 2HZ LYS 25 13.023 8.024 -7.902 222 HZ3 LYS 25 3HZ LYS 25 11.555 7.357 -8.408 223 H CYS 26 H CYS 26 8.320 2.897 -3.206 224 HA CYS 26 HA CYS 26 9.804 4.103 -1.019 225 HB2 CYS 26 2HB CYS 26 9.047 2.033 0.221 226 HB3 CYS 26 1HB CYS 26 7.745 3.032 -0.414 227 H GLN 27 H GLN 27 10.282 1.838 -3.513 228 HA GLN 27 HA GLN 27 12.468 0.421 -2.264 229 HB2 GLN 27 1HB GLN 27 12.612 -0.762 -4.432 230 HB3 GLN 27 2HB GLN 27 10.986 -0.789 -3.760 231 HG2 GLN 27 1HG GLN 27 10.402 1.114 -5.269 232 HG3 GLN 27 2HG GLN 27 11.991 0.947 -6.013 233 HE21 GLN 27 1HE2 GLN 27 9.273 -0.935 -7.852 234 HE22 GLN 27 2HE2 GLN 27 9.334 0.658 -7.179 235 H ALA 28 H ALA 28 12.040 3.080 -4.498 236 HA ALA 28 HA ALA 28 14.758 3.893 -4.258 237 HB1 ALA 28 1HB ALA 28 15.091 2.089 -5.886 238 HB2 ALA 28 2HB ALA 28 15.421 3.665 -6.606 239 HB3 ALA 28 3HB ALA 28 13.907 2.832 -6.963
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