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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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651607 |
6m56 ![]() ![]() |
36321 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 -19.618 6.828 -2.016 2 H2 ASN 1 2H ASN 1 -19.078 8.307 -1.403 3 H3 ASN 1 3H ASN 1 -18.532 6.865 -0.721 4 HA ASN 1 HA ASN 1 -17.428 6.283 -2.777 5 HB2 ASN 1 1HB ASN 1 -17.193 8.009 -4.531 6 HB3 ASN 1 2HB ASN 1 -18.864 7.505 -4.326 7 HD21 ASN 1 1HD2 ASN 1 -17.704 9.969 -5.432 8 HD22 ASN 1 2HD2 ASN 1 -18.427 11.259 -4.534 9 H GLY 2 H GLY 2 -15.223 6.753 -2.940 10 HA2 GLY 2 1HA GLY 2 -13.586 8.678 -2.362 11 HA3 GLY 2 2HA GLY 2 -14.271 8.466 -0.754 12 H ALA 3 H ALA 3 -12.511 7.666 0.318 13 HA ALA 3 HA ALA 3 -10.974 5.478 -0.806 14 HB1 ALA 3 1HB ALA 3 -9.633 5.649 1.229 15 HB2 ALA 3 2HB ALA 3 -10.788 6.799 1.902 16 HB3 ALA 3 3HB ALA 3 -9.842 7.231 0.479 17 H ILE 4 H ILE 4 -13.475 6.014 1.552 18 HA ILE 4 HA ILE 4 -13.367 3.355 2.652 19 HB ILE 4 HB ILE 4 -15.472 5.515 2.908 20 HG12 ILE 4 1HG1 ILE 4 -13.297 6.164 3.848 21 HG13 ILE 4 2HG1 ILE 4 -14.487 5.913 5.126 22 HG21 ILE 4 1HG2 ILE 4 -16.312 4.244 4.824 23 HG22 ILE 4 2HG2 ILE 4 -15.149 2.964 4.483 24 HG23 ILE 4 3HG2 ILE 4 -16.431 3.320 3.327 25 HD11 ILE 4 1HD1 ILE 4 -13.515 3.691 5.550 26 HD12 ILE 4 2HD1 ILE 4 -12.352 4.997 5.773 27 HD13 ILE 4 3HD1 ILE 4 -12.298 4.008 4.314 28 H CYS 5 H CYS 5 -14.218 1.607 1.740 29 HA CYS 5 HA CYS 5 -15.980 1.912 -0.558 30 HB2 CYS 5 1HB CYS 5 -14.713 -0.591 0.566 31 HB3 CYS 5 2HB CYS 5 -15.529 -0.439 -0.986 32 HG CYS 5 HG CYS 5 -13.539 1.627 -1.727 33 H TRP 6 H TRP 6 -16.303 1.536 2.695 34 HA TRP 6 HA TRP 6 -18.012 1.070 4.098 35 HB2 TRP 6 1HB TRP 6 -19.651 0.995 1.561 36 HB3 TRP 6 2HB TRP 6 -20.322 0.959 3.184 37 HD1 TRP 6 HD1 TRP 6 -19.150 3.307 0.536 38 HE1 TRP 6 HE1 TRP 6 -19.306 5.733 1.379 39 HE3 TRP 6 HE3 TRP 6 -19.994 2.383 5.490 40 HZ2 TRP 6 HZ2 TRP 6 -19.722 7.074 3.831 41 HZ3 TRP 6 HZ3 TRP 6 -20.256 4.292 7.017 42 HH2 TRP 6 HH2 TRP 6 -20.122 6.586 6.203 43 H GLY 7 H GLY 7 -16.334 -1.000 3.193 44 HA2 GLY 7 1HA GLY 7 -18.191 -3.293 3.261 45 HA3 GLY 7 2HA GLY 7 -16.612 -3.340 2.488 46 HA PRO 8 HA PRO 8 -16.576 -4.417 7.267 47 HB2 PRO 8 1HB PRO 8 -16.825 -7.185 6.198 48 HB3 PRO 8 2HB PRO 8 -17.448 -6.498 7.703 49 HG2 PRO 8 1HG PRO 8 -19.078 -6.973 5.662 50 HG3 PRO 8 2HG PRO 8 -19.268 -5.515 6.654 51 HD2 PRO 8 1HD PRO 8 -18.095 -5.809 3.920 52 HD3 PRO 8 2HD PRO 8 -19.090 -4.501 4.590 53 H CYS 9 H CYS 9 -15.423 -6.187 4.414 54 HA CYS 9 HA CYS 9 -12.682 -5.659 5.254 55 HB2 CYS 9 1HB CYS 9 -13.283 -7.934 6.103 56 HB3 CYS 9 2HB CYS 9 -13.602 -8.425 4.444 57 HG CYS 9 HG CYS 9 -11.110 -8.661 3.630 58 HA PRO 10 HA PRO 10 -13.455 -4.736 0.808 59 HB2 PRO 10 1HB PRO 10 -11.462 -2.643 1.333 60 HB3 PRO 10 2HB PRO 10 -13.097 -2.493 0.686 61 HG2 PRO 10 1HG PRO 10 -12.477 -1.639 3.150 62 HG3 PRO 10 2HG PRO 10 -14.057 -2.353 2.774 63 HD2 PRO 10 1HD PRO 10 -11.682 -3.612 4.103 64 HD3 PRO 10 2HD PRO 10 -13.402 -3.732 4.528 65 H THR 11 H THR 11 -12.404 -6.033 -0.530 66 HA THR 11 HA THR 11 -9.639 -6.759 -0.014 67 HB THR 11 HB THR 11 -11.443 -7.778 -2.216 68 HG1 THR 11 HG1 THR 11 -12.523 -8.743 -0.677 69 HG21 THR 11 1HG2 THR 11 -9.054 -8.294 -2.471 70 HG22 THR 11 2HG2 THR 11 -9.993 -9.748 -2.128 71 HG23 THR 11 3HG2 THR 11 -9.035 -8.996 -0.853 72 H ALA 12 H ALA 12 -11.600 -5.203 -2.499 73 HA ALA 12 HA ALA 12 -9.584 -4.934 -4.450 74 HB1 ALA 12 1HB ALA 12 -11.058 -3.282 -5.483 75 HB2 ALA 12 2HB ALA 12 -12.031 -3.220 -4.015 76 HB3 ALA 12 3HB ALA 12 -11.963 -4.703 -4.965 77 H PHE 13 H PHE 13 -10.565 -2.928 -1.748 78 HA PHE 13 HA PHE 13 -9.024 -0.656 -2.256 79 HB2 PHE 13 1HB PHE 13 -10.735 -0.715 -0.523 80 HB3 PHE 13 2HB PHE 13 -9.807 -1.898 0.387 81 HD1 PHE 13 HD1 PHE 13 -9.786 1.590 -0.829 82 HD2 PHE 13 HD2 PHE 13 -8.162 -1.230 1.908 83 HE1 PHE 13 HE1 PHE 13 -8.660 3.413 0.373 84 HE2 PHE 13 HE2 PHE 13 -7.032 0.584 3.116 85 HZ PHE 13 HZ PHE 13 -7.279 2.912 2.350 86 H ARG 14 H ARG 14 -8.183 -3.720 -0.732 87 HA ARG 14 HA ARG 14 -5.609 -2.836 0.156 88 HB2 ARG 14 1HB ARG 14 -6.743 -5.622 -0.139 89 HB3 ARG 14 2HB ARG 14 -5.216 -5.241 0.638 90 HG2 ARG 14 1HG ARG 14 -7.937 -4.320 1.545 91 HG3 ARG 14 2HG ARG 14 -6.979 -5.610 2.269 92 HD2 ARG 14 1HD ARG 14 -5.228 -3.992 2.837 93 HD3 ARG 14 2HD ARG 14 -6.181 -2.702 2.104 94 HE ARG 14 HE ARG 14 -7.697 -4.034 4.087 95 HH11 ARG 14 1HH1 ARG 14 -5.019 -1.798 3.741 96 HH12 ARG 14 2HH1 ARG 14 -5.315 -1.011 5.256 97 HH21 ARG 14 1HH2 ARG 14 -8.087 -2.998 6.096 98 HH22 ARG 14 2HH2 ARG 14 -7.061 -1.688 6.594 99 H GLN 15 H GLN 15 -6.887 -4.354 -2.699 100 HA GLN 15 HA GLN 15 -4.381 -5.141 -3.807 101 HB2 GLN 15 1HB GLN 15 -7.044 -4.634 -5.148 102 HB3 GLN 15 2HB GLN 15 -5.654 -5.379 -5.919 103 HG2 GLN 15 1HG GLN 15 -5.762 -7.241 -4.366 104 HG3 GLN 15 2HG GLN 15 -7.123 -6.487 -3.539 105 HE21 GLN 15 1HE2 GLN 15 -6.698 -6.424 -7.006 106 HE22 GLN 15 2HE2 GLN 15 -8.027 -7.464 -7.379 107 H ILE 16 H ILE 16 -6.273 -2.231 -3.795 108 HA ILE 16 HA ILE 16 -4.665 -0.931 -5.814 109 HB ILE 16 HB ILE 16 -6.769 0.184 -3.944 110 HG12 ILE 16 1HG1 ILE 16 -6.891 -0.511 -6.890 111 HG13 ILE 16 2HG1 ILE 16 -7.626 -1.447 -5.589 112 HG21 ILE 16 1HG2 ILE 16 -5.377 1.471 -6.290 113 HG22 ILE 16 2HG2 ILE 16 -5.232 1.933 -4.595 114 HG23 ILE 16 3HG2 ILE 16 -6.765 2.146 -5.438 115 HD11 ILE 16 1HD1 ILE 16 -9.107 0.405 -5.073 116 HD12 ILE 16 2HD1 ILE 16 -9.254 -0.064 -6.766 117 HD13 ILE 16 3HD1 ILE 16 -8.343 1.381 -6.328 118 H GLY 17 H GLY 17 -5.169 -0.670 -2.306 119 HA2 GLY 17 1HA GLY 17 -2.990 1.200 -1.992 120 HA3 GLY 17 2HA GLY 17 -3.947 0.477 -0.706 121 H ASN 18 H ASN 18 -1.412 -0.236 -3.056 122 HA ASN 18 HA ASN 18 -0.029 -1.813 -1.030 123 HB2 ASN 18 1HB ASN 18 -1.292 -3.485 -2.252 124 HB3 ASN 18 2HB ASN 18 -0.713 -2.852 -3.786 125 HD21 ASN 18 1HD2 ASN 18 0.166 -4.850 -4.357 126 HD22 ASN 18 2HD2 ASN 18 1.612 -5.451 -3.631 127 H CYS 19 H CYS 19 1.936 -1.022 -0.902 128 HA CYS 19 HA CYS 19 3.255 -0.108 -3.367 129 HB2 CYS 19 1HB CYS 19 4.485 1.505 -1.805 130 HB3 CYS 19 2HB CYS 19 2.803 1.873 -2.175 131 HG CYS 19 HG CYS 19 4.019 1.992 0.680 132 H GLY 20 H GLY 20 3.380 -2.713 -2.429 133 HA2 GLY 20 1HA GLY 20 5.695 -3.119 -0.785 134 HA3 GLY 20 2HA GLY 20 4.790 -4.355 -1.644 135 H ARG 21 H ARG 21 5.355 -2.298 -4.018 136 HA ARG 21 HA ARG 21 7.657 -3.736 -4.980 137 HB2 ARG 21 1HB ARG 21 7.354 -2.531 -7.052 138 HB3 ARG 21 2HB ARG 21 5.800 -3.128 -6.492 139 HG2 ARG 21 1HG ARG 21 5.187 -0.934 -5.716 140 HG3 ARG 21 2HG ARG 21 6.788 -0.311 -6.121 141 HD2 ARG 21 1HD ARG 21 4.796 -1.450 -8.078 142 HD3 ARG 21 2HD ARG 21 5.118 0.265 -7.829 143 HE ARG 21 HE ARG 21 7.538 -0.513 -8.470 144 HH11 ARG 21 1HH1 ARG 21 4.514 -1.593 -9.871 145 HH12 ARG 21 2HH1 ARG 21 5.203 -1.911 -11.431 146 HH21 ARG 21 1HH2 ARG 21 8.445 -0.936 -10.533 147 HH22 ARG 21 2HH2 ARG 21 7.430 -1.530 -11.807 148 H PHE 22 H PHE 22 7.478 -1.454 -2.799 149 HA PHE 22 HA PHE 22 9.583 0.309 -3.743 150 HB2 PHE 22 1HB PHE 22 7.659 1.116 -2.346 151 HB3 PHE 22 2HB PHE 22 8.278 0.151 -1.015 152 HD1 PHE 22 HD1 PHE 22 9.146 2.938 -3.295 153 HD2 PHE 22 HD2 PHE 22 9.885 1.011 0.424 154 HE1 PHE 22 HE1 PHE 22 10.557 4.826 -2.601 155 HE2 PHE 22 HE2 PHE 22 11.304 2.892 1.120 156 HZ PHE 22 HZ PHE 22 11.641 4.805 -0.391 157 H ARG 23 H ARG 23 11.688 0.322 -2.905 158 HA ARG 23 HA ARG 23 12.440 -2.229 -1.687 159 HB2 ARG 23 1HB ARG 23 14.122 -0.160 -3.101 160 HB3 ARG 23 2HB ARG 23 14.746 -1.644 -2.404 161 HG2 ARG 23 1HG ARG 23 12.737 -1.473 -4.645 162 HG3 ARG 23 2HG ARG 23 14.458 -1.806 -4.827 163 HD2 ARG 23 1HD ARG 23 13.349 -3.901 -4.928 164 HD3 ARG 23 2HD ARG 23 14.113 -3.816 -3.343 165 HE ARG 23 HE ARG 23 11.490 -2.878 -3.095 166 HH11 ARG 23 1HH1 ARG 23 13.158 -5.867 -3.805 167 HH12 ARG 23 2HH1 ARG 23 11.912 -6.870 -3.139 168 HH21 ARG 23 1HH2 ARG 23 9.845 -4.192 -2.209 169 HH22 ARG 23 2HH2 ARG 23 10.022 -5.918 -2.233 170 H VAL 24 H VAL 24 12.241 -2.065 0.424 171 HA VAL 24 HA VAL 24 12.599 0.269 1.955 172 HB VAL 24 HB VAL 24 12.669 -2.610 2.870 173 HG11 VAL 24 1HG1 VAL 24 12.034 -1.722 5.061 174 HG12 VAL 24 2HG1 VAL 24 12.180 -0.081 4.434 175 HG13 VAL 24 3HG1 VAL 24 13.605 -1.115 4.542 176 HG21 VAL 24 1HG2 VAL 24 10.305 -2.295 3.415 177 HG22 VAL 24 2HG2 VAL 24 10.601 -2.076 1.690 178 HG23 VAL 24 3HG2 VAL 24 10.363 -0.672 2.730 179 H ARG 25 H ARG 25 14.710 -2.512 1.348 180 HA ARG 25 HA ARG 25 16.781 -1.766 3.101 181 HB2 ARG 25 1HB ARG 25 16.770 -3.471 0.612 182 HB3 ARG 25 2HB ARG 25 18.199 -3.254 1.608 183 HG2 ARG 25 1HG ARG 25 15.587 -4.376 2.601 184 HG3 ARG 25 2HG ARG 25 16.964 -5.346 2.070 185 HD2 ARG 25 1HD ARG 25 18.354 -4.281 3.800 186 HD3 ARG 25 2HD ARG 25 16.952 -3.369 4.352 187 HE ARG 25 HE ARG 25 16.051 -5.866 4.586 188 HH11 ARG 25 1HH1 ARG 25 19.123 -4.471 5.504 189 HH12 ARG 25 2HH1 ARG 25 19.350 -5.534 6.855 190 HH21 ARG 25 1HH2 ARG 25 16.336 -7.264 6.365 191 HH22 ARG 25 2HH2 ARG 25 17.755 -7.121 7.351 192 H CYS 26 H CYS 26 16.289 -1.137 -0.345 193 HA CYS 26 HA CYS 26 18.741 0.185 -0.771 194 HB2 CYS 26 1HB CYS 26 16.158 0.551 -2.298 195 HB3 CYS 26 2HB CYS 26 17.779 0.928 -2.872 196 HG CYS 26 HG CYS 26 18.551 -1.866 -2.588 197 H CYS 27 H CYS 27 15.520 1.386 0.096 198 HA CYS 27 HA CYS 27 16.300 4.143 -0.030 199 HB2 CYS 27 1HB CYS 27 13.958 3.360 -0.363 200 HB3 CYS 27 2HB CYS 27 13.898 2.914 1.338 201 HG CYS 27 HG CYS 27 14.806 6.089 0.872 202 H ARG 28 H ARG 28 16.688 1.670 2.251 203 HA ARG 28 HA ARG 28 16.817 3.339 4.584 204 HB2 ARG 28 1HB ARG 28 16.232 0.900 4.619 205 HB3 ARG 28 2HB ARG 28 17.894 0.541 4.176 206 HG2 ARG 28 1HG ARG 28 18.663 1.581 6.257 207 HG3 ARG 28 2HG ARG 28 16.984 1.898 6.703 208 HD2 ARG 28 1HD ARG 28 16.547 -0.546 6.540 209 HD3 ARG 28 2HD ARG 28 18.271 -0.791 6.272 210 HE ARG 28 HE ARG 28 17.460 0.616 8.696 211 HH11 ARG 28 1HH1 ARG 28 18.679 -2.284 7.175 212 HH12 ARG 28 2HH1 ARG 28 19.164 -3.019 8.669 213 HH21 ARG 28 1HH2 ARG 28 18.090 -0.358 10.674 214 HH22 ARG 28 2HH2 ARG 28 18.840 -1.922 10.652 215 H ILE 29 H ILE 29 19.051 2.030 2.232 216 HA ILE 29 HA ILE 29 21.345 3.095 3.679 217 HB ILE 29 HB ILE 29 21.299 1.612 1.043 218 HG12 ILE 29 1HG1 ILE 29 20.420 0.207 2.845 219 HG13 ILE 29 2HG1 ILE 29 22.015 -0.354 2.354 220 HG21 ILE 29 1HG2 ILE 29 23.687 1.240 1.475 221 HG22 ILE 29 2HG2 ILE 29 23.575 2.225 2.932 222 HG23 ILE 29 3HG2 ILE 29 23.309 2.958 1.350 223 HD11 ILE 29 1HD1 ILE 29 22.994 0.758 4.300 224 HD12 ILE 29 2HD1 ILE 29 21.773 -0.427 4.758 225 HD13 ILE 29 3HD1 ILE 29 21.388 1.292 4.794 226 H ARG 30 H ARG 30 19.558 3.622 0.681 227 HA ARG 30 HA ARG 30 21.251 5.967 0.137 228 HB2 ARG 30 1HB ARG 30 19.300 4.631 -1.749 229 HB3 ARG 30 2HB ARG 30 20.479 5.869 -2.149 230 HG2 ARG 30 1HG ARG 30 21.081 3.048 -1.288 231 HG3 ARG 30 2HG ARG 30 21.209 3.696 -2.923 232 HD2 ARG 30 1HD ARG 30 22.828 4.556 -0.524 233 HD3 ARG 30 2HD ARG 30 23.400 3.572 -1.869 234 HE ARG 30 HE ARG 30 22.394 6.257 -2.454 235 HH11 ARG 30 1HH1 ARG 30 25.109 4.067 -2.167 236 HH12 ARG 30 2HH1 ARG 30 26.221 5.136 -2.959 237 HH21 ARG 30 1HH2 ARG 30 23.849 7.660 -3.512 238 HH22 ARG 30 2HH2 ARG 30 25.497 7.173 -3.738 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 -24.692 -8.264 6.741 2 H2 ASN 1 2H ASN 1 -25.137 -6.719 7.261 3 H3 ASN 1 3H ASN 1 -24.303 -7.754 8.304 4 HA ASN 1 HA ASN 1 -22.360 -7.684 6.922 5 HB2 ASN 1 1HB ASN 1 -23.954 -5.732 5.247 6 HB3 ASN 1 2HB ASN 1 -22.255 -6.114 5.025 7 HD21 ASN 1 1HD2 ASN 1 -21.673 -8.095 4.127 8 HD22 ASN 1 2HD2 ASN 1 -22.820 -9.110 3.324 9 H GLY 2 H GLY 2 -24.396 -5.696 8.660 10 HA2 GLY 2 1HA GLY 2 -23.664 -4.206 10.333 11 HA3 GLY 2 2HA GLY 2 -22.139 -4.028 9.474 12 H ALA 3 H ALA 3 -22.282 -1.738 9.627 13 HA ALA 3 HA ALA 3 -24.515 -0.379 8.412 14 HB1 ALA 3 1HB ALA 3 -23.329 1.659 8.920 15 HB2 ALA 3 2HB ALA 3 -21.855 0.757 9.266 16 HB3 ALA 3 3HB ALA 3 -23.259 0.586 10.318 17 H ILE 4 H ILE 4 -21.059 -0.758 7.663 18 HA ILE 4 HA ILE 4 -21.459 0.228 4.972 19 HB ILE 4 HB ILE 4 -18.987 -1.072 6.139 20 HG12 ILE 4 1HG1 ILE 4 -19.638 0.933 7.430 21 HG13 ILE 4 2HG1 ILE 4 -18.148 1.200 6.525 22 HG21 ILE 4 1HG2 ILE 4 -19.014 -1.065 3.713 23 HG22 ILE 4 2HG2 ILE 4 -17.829 0.098 4.301 24 HG23 ILE 4 3HG2 ILE 4 -19.386 0.658 3.695 25 HD11 ILE 4 1HD1 ILE 4 -20.897 2.181 5.774 26 HD12 ILE 4 2HD1 ILE 4 -19.432 2.419 4.819 27 HD13 ILE 4 3HD1 ILE 4 -19.572 3.150 6.419 28 H CYS 5 H CYS 5 -22.894 -1.221 4.069 29 HA CYS 5 HA CYS 5 -22.490 -4.047 4.174 30 HB2 CYS 5 1HB CYS 5 -24.730 -3.009 3.924 31 HB3 CYS 5 2HB CYS 5 -24.271 -2.447 2.323 32 HG CYS 5 HG CYS 5 -23.797 -5.205 1.491 33 H TRP 6 H TRP 6 -21.086 -1.584 2.370 34 HA TRP 6 HA TRP 6 -20.657 -2.934 -0.088 35 HB2 TRP 6 1HB TRP 6 -19.137 -0.645 1.181 36 HB3 TRP 6 2HB TRP 6 -18.903 -1.205 -0.468 37 HD1 TRP 6 HD1 TRP 6 -21.389 0.692 1.717 38 HE1 TRP 6 HE1 TRP 6 -23.065 1.920 0.198 39 HE3 TRP 6 HE3 TRP 6 -19.991 -1.286 -2.779 40 HZ2 TRP 6 HZ2 TRP 6 -23.702 2.031 -2.552 41 HZ3 TRP 6 HZ3 TRP 6 -21.183 -0.565 -4.806 42 HH2 TRP 6 HH2 TRP 6 -22.998 1.056 -4.692 43 H GLY 7 H GLY 7 -19.287 -3.302 3.009 44 HA2 GLY 7 1HA GLY 7 -18.040 -5.597 2.797 45 HA3 GLY 7 2HA GLY 7 -16.886 -4.586 1.942 46 HA PRO 8 HA PRO 8 -16.703 -3.881 6.770 47 HB2 PRO 8 1HB PRO 8 -16.125 -6.705 7.352 48 HB3 PRO 8 2HB PRO 8 -17.186 -5.582 8.207 49 HG2 PRO 8 1HG PRO 8 -18.150 -7.619 6.734 50 HG3 PRO 8 2HG PRO 8 -18.996 -6.067 6.870 51 HD2 PRO 8 1HD PRO 8 -17.313 -7.123 4.632 52 HD3 PRO 8 2HD PRO 8 -18.819 -6.185 4.566 53 H CYS 9 H CYS 9 -15.103 -6.203 4.702 54 HA CYS 9 HA CYS 9 -12.531 -4.984 5.384 55 HB2 CYS 9 1HB CYS 9 -13.011 -7.964 5.156 56 HB3 CYS 9 2HB CYS 9 -11.439 -7.198 5.346 57 HG CYS 9 HG CYS 9 -12.874 -5.966 7.821 58 HA PRO 10 HA PRO 10 -13.477 -4.812 0.877 59 HB2 PRO 10 1HB PRO 10 -11.465 -2.649 1.158 60 HB3 PRO 10 2HB PRO 10 -13.032 -2.626 0.343 61 HG2 PRO 10 1HG PRO 10 -12.720 -1.392 2.669 62 HG3 PRO 10 2HG PRO 10 -14.204 -2.305 2.326 63 HD2 PRO 10 1HD PRO 10 -11.840 -3.093 3.992 64 HD3 PRO 10 2HD PRO 10 -13.570 -3.334 4.309 65 H THR 11 H THR 11 -12.489 -6.295 -0.332 66 HA THR 11 HA THR 11 -9.695 -6.921 0.106 67 HB THR 11 HB THR 11 -10.138 -8.710 -1.629 68 HG1 THR 11 HG1 THR 11 -12.051 -8.813 -2.547 69 HG21 THR 11 1HG2 THR 11 -11.453 -10.106 -0.088 70 HG22 THR 11 2HG2 THR 11 -11.879 -8.666 0.837 71 HG23 THR 11 3HG2 THR 11 -10.199 -9.199 0.757 72 H ALA 12 H ALA 12 -11.752 -5.624 -2.454 73 HA ALA 12 HA ALA 12 -9.756 -5.519 -4.459 74 HB1 ALA 12 1HB ALA 12 -11.269 -4.047 -5.653 75 HB2 ALA 12 2HB ALA 12 -12.209 -3.783 -4.186 76 HB3 ALA 12 3HB ALA 12 -12.173 -5.380 -4.933 77 H PHE 13 H PHE 13 -10.635 -3.424 -1.831 78 HA PHE 13 HA PHE 13 -9.234 -1.110 -2.598 79 HB2 PHE 13 1HB PHE 13 -10.867 -1.124 -0.777 80 HB3 PHE 13 2HB PHE 13 -9.824 -2.176 0.167 81 HD1 PHE 13 HD1 PHE 13 -8.187 -1.299 1.562 82 HD2 PHE 13 HD2 PHE 13 -10.016 1.192 -1.359 83 HE1 PHE 13 HE1 PHE 13 -7.094 0.661 2.552 84 HE2 PHE 13 HE2 PHE 13 -8.923 3.158 -0.370 85 HZ PHE 13 HZ PHE 13 -7.457 2.895 1.589 86 H ARG 14 H ARG 14 -8.211 -4.106 -1.126 87 HA ARG 14 HA ARG 14 -5.694 -3.247 -0.164 88 HB2 ARG 14 1HB ARG 14 -6.593 -6.010 -1.001 89 HB3 ARG 14 2HB ARG 14 -5.147 -5.652 -0.068 90 HG2 ARG 14 1HG ARG 14 -6.479 -4.828 1.766 91 HG3 ARG 14 2HG ARG 14 -7.955 -5.020 0.819 92 HD2 ARG 14 1HD ARG 14 -7.561 -7.455 0.734 93 HD3 ARG 14 2HD ARG 14 -6.113 -7.242 1.719 94 HE ARG 14 HE ARG 14 -8.012 -6.104 3.243 95 HH11 ARG 14 1HH1 ARG 14 -7.853 -9.215 1.634 96 HH12 ARG 14 2HH1 ARG 14 -8.869 -10.005 2.794 97 HH21 ARG 14 1HH2 ARG 14 -9.325 -7.148 4.778 98 HH22 ARG 14 2HH2 ARG 14 -9.695 -8.832 4.591 99 H GLN 15 H GLN 15 -6.844 -4.130 -3.292 100 HA GLN 15 HA GLN 15 -4.349 -4.766 -4.494 101 HB2 GLN 15 1HB GLN 15 -6.635 -5.382 -5.377 102 HB3 GLN 15 2HB GLN 15 -6.826 -3.706 -5.857 103 HG2 GLN 15 1HG GLN 15 -6.163 -5.028 -7.747 104 HG3 GLN 15 2HG GLN 15 -4.870 -3.909 -7.314 105 HE21 GLN 15 1HE2 GLN 15 -3.297 -5.151 -8.314 106 HE22 GLN 15 2HE2 GLN 15 -2.751 -6.653 -7.658 107 H ILE 16 H ILE 16 -6.032 -1.836 -3.777 108 HA ILE 16 HA ILE 16 -4.177 -0.237 -5.376 109 HB ILE 16 HB ILE 16 -6.601 0.615 -3.777 110 HG12 ILE 16 1HG1 ILE 16 -7.198 -0.746 -5.737 111 HG13 ILE 16 2HG1 ILE 16 -7.684 0.932 -5.968 112 HG21 ILE 16 1HG2 ILE 16 -4.884 2.201 -5.688 113 HG22 ILE 16 2HG2 ILE 16 -4.951 2.400 -3.936 114 HG23 ILE 16 3HG2 ILE 16 -6.368 2.770 -4.920 115 HD11 ILE 16 1HD1 ILE 16 -5.274 -0.419 -7.169 116 HD12 ILE 16 2HD1 ILE 16 -5.684 1.286 -7.360 117 HD13 ILE 16 3HD1 ILE 16 -6.756 0.043 -8.006 118 H GLY 17 H GLY 17 -5.215 -0.807 -2.057 119 HA2 GLY 17 1HA GLY 17 -3.681 1.148 -0.769 120 HA3 GLY 17 2HA GLY 17 -4.234 -0.352 -0.041 121 H ASN 18 H ASN 18 -2.922 -2.336 -0.952 122 HA ASN 18 HA ASN 18 -0.091 -1.566 -1.062 123 HB2 ASN 18 1HB ASN 18 -1.247 -3.822 0.585 124 HB3 ASN 18 2HB ASN 18 0.468 -3.556 0.321 125 HD21 ASN 18 1HD2 ASN 18 -2.348 -2.550 2.036 126 HD22 ASN 18 2HD2 ASN 18 -1.557 -1.431 3.086 127 H CYS 19 H CYS 19 -0.901 -4.901 -0.888 128 HA CYS 19 HA CYS 19 -0.508 -6.614 -2.321 129 HB2 CYS 19 1HB CYS 19 -2.766 -5.733 -3.012 130 HB3 CYS 19 2HB CYS 19 -1.957 -4.881 -4.321 131 HG CYS 19 HG CYS 19 -3.265 -7.236 -5.243 132 H GLY 20 H GLY 20 1.777 -5.388 -2.129 133 HA2 GLY 20 1HA GLY 20 3.777 -5.680 -3.330 134 HA3 GLY 20 2HA GLY 20 2.860 -5.643 -4.827 135 H ARG 21 H ARG 21 2.603 -3.242 -2.273 136 HA ARG 21 HA ARG 21 3.363 -1.162 -4.140 137 HB2 ARG 21 1HB ARG 21 2.404 -1.126 -1.284 138 HB3 ARG 21 2HB ARG 21 3.000 0.326 -2.074 139 HG2 ARG 21 1HG ARG 21 0.760 -1.338 -3.184 140 HG3 ARG 21 2HG ARG 21 0.510 0.007 -2.071 141 HD2 ARG 21 1HD ARG 21 1.953 0.244 -4.707 142 HD3 ARG 21 2HD ARG 21 0.240 0.597 -4.482 143 HE ARG 21 HE ARG 21 1.265 2.182 -2.646 144 HH11 ARG 21 1HH1 ARG 21 2.418 1.592 -5.893 145 HH12 ARG 21 2HH1 ARG 21 3.064 3.190 -6.088 146 HH21 ARG 21 1HH2 ARG 21 2.116 4.280 -2.896 147 HH22 ARG 21 2HH2 ARG 21 2.898 4.717 -4.382 148 H PHE 22 H PHE 22 4.673 -2.813 -1.370 149 HA PHE 22 HA PHE 22 7.231 -1.463 -1.863 150 HB2 PHE 22 1HB PHE 22 7.734 -1.700 0.553 151 HB3 PHE 22 2HB PHE 22 6.361 -0.646 0.254 152 HD1 PHE 22 HD1 PHE 22 7.525 -3.679 1.818 153 HD2 PHE 22 HD2 PHE 22 4.061 -1.469 0.710 154 HE1 PHE 22 HE1 PHE 22 6.176 -5.014 3.379 155 HE2 PHE 22 HE2 PHE 22 2.708 -2.804 2.267 156 HZ PHE 22 HZ PHE 22 3.763 -4.580 3.607 157 H ARG 23 H ARG 23 8.983 -2.759 -2.044 158 HA ARG 23 HA ARG 23 8.470 -5.648 -1.929 159 HB2 ARG 23 1HB ARG 23 10.728 -4.145 -3.265 160 HB3 ARG 23 2HB ARG 23 10.452 -5.876 -3.358 161 HG2 ARG 23 1HG ARG 23 8.460 -3.850 -4.347 162 HG3 ARG 23 2HG ARG 23 9.742 -4.515 -5.357 163 HD2 ARG 23 1HD ARG 23 7.665 -5.713 -5.726 164 HD3 ARG 23 2HD ARG 23 8.860 -6.772 -4.984 165 HE ARG 23 HE ARG 23 7.105 -5.525 -3.079 166 HH11 ARG 23 1HH1 ARG 23 7.462 -8.173 -5.321 167 HH12 ARG 23 2HH1 ARG 23 6.393 -9.231 -4.456 168 HH21 ARG 23 1HH2 ARG 23 5.680 -6.907 -1.923 169 HH22 ARG 23 2HH2 ARG 23 5.373 -8.505 -2.522 170 H VAL 24 H VAL 24 9.076 -6.593 -0.111 171 HA VAL 24 HA VAL 24 10.743 -5.343 1.797 172 HB VAL 24 HB VAL 24 8.966 -6.919 2.431 173 HG11 VAL 24 1HG1 VAL 24 9.184 -8.565 0.668 174 HG12 VAL 24 2HG1 VAL 24 9.317 -9.339 2.247 175 HG13 VAL 24 3HG1 VAL 24 10.764 -9.047 1.283 176 HG21 VAL 24 1HG2 VAL 24 11.709 -7.782 3.333 177 HG22 VAL 24 2HG2 VAL 24 10.195 -8.118 4.172 178 HG23 VAL 24 3HG2 VAL 24 10.760 -6.456 4.006 179 H ARG 25 H ARG 25 11.358 -7.660 -0.747 180 HA ARG 25 HA ARG 25 13.936 -8.472 0.122 181 HB2 ARG 25 1HB ARG 25 12.760 -8.401 -2.666 182 HB3 ARG 25 2HB ARG 25 14.243 -9.230 -2.223 183 HG2 ARG 25 1HG ARG 25 11.478 -9.863 -1.208 184 HG3 ARG 25 2HG ARG 25 12.401 -10.794 -2.388 185 HD2 ARG 25 1HD ARG 25 14.053 -11.358 -0.734 186 HD3 ARG 25 2HD ARG 25 13.309 -10.278 0.442 187 HE ARG 25 HE ARG 25 11.414 -12.192 -0.365 188 HH11 ARG 25 1HH1 ARG 25 14.417 -11.973 1.422 189 HH12 ARG 25 2HH1 ARG 25 14.017 -13.270 2.504 190 HH21 ARG 25 1HH2 ARG 25 10.887 -13.916 1.064 191 HH22 ARG 25 2HH2 ARG 25 12.019 -14.374 2.299 192 H CYS 26 H CYS 26 12.755 -5.831 -1.844 193 HA CYS 26 HA CYS 26 15.330 -4.894 -2.634 194 HB2 CYS 26 1HB CYS 26 12.679 -3.434 -2.584 195 HB3 CYS 26 2HB CYS 26 14.121 -2.932 -3.459 196 HG CYS 26 HG CYS 26 14.108 -5.096 -5.214 197 H CYS 27 H CYS 27 13.343 -4.514 0.157 198 HA CYS 27 HA CYS 27 14.727 -2.163 1.113 199 HB2 CYS 27 1HB CYS 27 12.780 -3.985 2.546 200 HB3 CYS 27 2HB CYS 27 13.331 -2.410 3.108 201 HG CYS 27 HG CYS 27 11.390 -3.002 0.351 202 H ARG 28 H ARG 28 14.807 -5.635 1.600 203 HA ARG 28 HA ARG 28 16.556 -5.639 3.825 204 HB2 ARG 28 1HB ARG 28 15.920 -7.713 1.727 205 HB3 ARG 28 2HB ARG 28 17.087 -8.012 3.005 206 HG2 ARG 28 1HG ARG 28 14.196 -7.289 3.445 207 HG3 ARG 28 2HG ARG 28 14.859 -8.924 3.498 208 HD2 ARG 28 1HD ARG 28 15.670 -6.635 5.289 209 HD3 ARG 28 2HD ARG 28 14.619 -7.973 5.746 210 HE ARG 28 HE ARG 28 16.692 -9.381 5.128 211 HH11 ARG 28 1HH1 ARG 28 16.790 -6.198 6.598 212 HH12 ARG 28 2HH1 ARG 28 18.267 -6.502 7.450 213 HH21 ARG 28 1HH2 ARG 28 18.649 -9.771 6.235 214 HH22 ARG 28 2HH2 ARG 28 19.323 -8.530 7.245 215 H ILE 29 H ILE 29 17.135 -6.058 0.351 216 HA ILE 29 HA ILE 29 19.921 -5.231 0.832 217 HB ILE 29 HB ILE 29 18.926 -7.098 -1.336 218 HG12 ILE 29 1HG1 ILE 29 20.671 -7.615 1.089 219 HG13 ILE 29 2HG1 ILE 29 19.011 -8.167 0.872 220 HG21 ILE 29 1HG2 ILE 29 21.728 -6.144 -0.723 221 HG22 ILE 29 2HG2 ILE 29 20.754 -5.676 -2.117 222 HG23 ILE 29 3HG2 ILE 29 21.292 -7.347 -1.936 223 HD11 ILE 29 1HD1 ILE 29 21.385 -9.006 -0.779 224 HD12 ILE 29 2HD1 ILE 29 19.724 -9.549 -1.014 225 HD13 ILE 29 3HD1 ILE 29 20.585 -9.964 0.466 226 H ARG 30 H ARG 30 19.889 -3.124 0.326 227 HA ARG 30 HA ARG 30 18.455 -2.265 -2.077 228 HB2 ARG 30 1HB ARG 30 19.791 -0.527 0.004 229 HB3 ARG 30 2HB ARG 30 18.684 -0.006 -1.257 230 HG2 ARG 30 1HG ARG 30 16.928 -1.421 -0.168 231 HG3 ARG 30 2HG ARG 30 18.058 -1.667 1.165 232 HD2 ARG 30 1HD ARG 30 16.544 0.135 1.712 233 HD3 ARG 30 2HD ARG 30 18.170 0.777 1.483 234 HE ARG 30 HE ARG 30 16.902 0.989 -0.967 235 HH11 ARG 30 1HH1 ARG 30 16.435 2.237 2.267 236 HH12 ARG 30 2HH1 ARG 30 15.662 3.690 1.734 237 HH21 ARG 30 1HH2 ARG 30 15.886 2.902 -1.676 238 HH22 ARG 30 2HH2 ARG 30 15.337 4.064 -0.512 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 -24.164 -7.937 13.814 2 H2 ASN 1 2H ASN 1 -24.680 -9.486 13.389 3 H3 ASN 1 3H ASN 1 -25.464 -8.134 12.753 4 HA ASN 1 HA ASN 1 -22.678 -8.966 12.218 5 HB2 ASN 1 1HB ASN 1 -24.454 -10.317 11.108 6 HB3 ASN 1 2HB ASN 1 -25.077 -8.850 10.375 7 HD21 ASN 1 1HD2 ASN 1 -21.656 -9.605 10.795 8 HD22 ASN 1 2HD2 ASN 1 -21.313 -9.742 9.107 9 H GLY 2 H GLY 2 -25.039 -6.440 12.227 10 HA2 GLY 2 1HA GLY 2 -24.510 -4.149 12.072 11 HA3 GLY 2 2HA GLY 2 -23.020 -4.573 11.237 12 H ALA 3 H ALA 3 -24.198 -2.599 10.048 13 HA ALA 3 HA ALA 3 -26.217 -3.295 8.178 14 HB1 ALA 3 1HB ALA 3 -25.705 -1.183 7.095 15 HB2 ALA 3 2HB ALA 3 -24.204 -1.052 8.009 16 HB3 ALA 3 3HB ALA 3 -25.754 -0.966 8.844 17 H ILE 4 H ILE 4 -22.685 -3.077 7.998 18 HA ILE 4 HA ILE 4 -22.569 -4.041 5.312 19 HB ILE 4 HB ILE 4 -20.749 -2.673 6.183 20 HG12 ILE 4 1HG1 ILE 4 -18.828 -4.120 5.514 21 HG13 ILE 4 2HG1 ILE 4 -19.916 -5.509 5.537 22 HG21 ILE 4 1HG2 ILE 4 -19.162 -3.527 7.843 23 HG22 ILE 4 2HG2 ILE 4 -20.188 -4.941 8.086 24 HG23 ILE 4 3HG2 ILE 4 -20.782 -3.337 8.511 25 HD11 ILE 4 1HD1 ILE 4 -20.153 -3.100 3.745 26 HD12 ILE 4 2HD1 ILE 4 -21.254 -4.477 3.772 27 HD13 ILE 4 3HD1 ILE 4 -19.577 -4.699 3.280 28 H CYS 5 H CYS 5 -23.183 -6.006 4.790 29 HA CYS 5 HA CYS 5 -23.266 -8.060 6.845 30 HB2 CYS 5 1HB CYS 5 -24.411 -8.127 4.054 31 HB3 CYS 5 2HB CYS 5 -24.790 -9.221 5.378 32 HG CYS 5 HG CYS 5 -25.343 -5.991 6.068 33 H TRP 6 H TRP 6 -21.778 -7.487 3.682 34 HA TRP 6 HA TRP 6 -20.074 -9.805 4.250 35 HB2 TRP 6 1HB TRP 6 -20.151 -10.614 2.025 36 HB3 TRP 6 2HB TRP 6 -21.819 -10.312 2.475 37 HD1 TRP 6 HD1 TRP 6 -23.044 -8.206 1.258 38 HE1 TRP 6 HE1 TRP 6 -22.559 -7.056 -0.993 39 HE3 TRP 6 HE3 TRP 6 -18.318 -9.977 0.449 40 HZ2 TRP 6 HZ2 TRP 6 -20.450 -6.933 -2.870 41 HZ3 TRP 6 HZ3 TRP 6 -17.141 -9.301 -1.603 42 HH2 TRP 6 HH2 TRP 6 -18.186 -7.813 -3.226 43 H GLY 7 H GLY 7 -17.975 -9.437 4.119 44 HA2 GLY 7 1HA GLY 7 -15.967 -8.480 3.551 45 HA3 GLY 7 2HA GLY 7 -16.796 -7.643 2.250 46 HA PRO 8 HA PRO 8 -17.090 -4.759 6.188 47 HB2 PRO 8 1HB PRO 8 -15.011 -5.997 7.890 48 HB3 PRO 8 2HB PRO 8 -16.593 -5.353 8.342 49 HG2 PRO 8 1HG PRO 8 -16.134 -7.980 8.319 50 HG3 PRO 8 2HG PRO 8 -17.693 -7.314 7.803 51 HD2 PRO 8 1HD PRO 8 -15.415 -8.308 6.131 52 HD3 PRO 8 2HD PRO 8 -17.159 -8.554 5.914 53 H CYS 9 H CYS 9 -14.173 -6.427 5.261 54 HA CYS 9 HA CYS 9 -12.883 -3.839 4.741 55 HB2 CYS 9 1HB CYS 9 -11.521 -6.438 5.494 56 HB3 CYS 9 2HB CYS 9 -10.721 -4.905 5.171 57 HG CYS 9 HG CYS 9 -11.417 -3.654 7.436 58 HA PRO 10 HA PRO 10 -13.666 -5.732 0.671 59 HB2 PRO 10 1HB PRO 10 -12.693 -3.068 -0.176 60 HB3 PRO 10 2HB PRO 10 -14.166 -3.925 -0.641 61 HG2 PRO 10 1HG PRO 10 -14.268 -1.843 1.018 62 HG3 PRO 10 2HG PRO 10 -15.310 -3.259 1.264 63 HD2 PRO 10 1HD PRO 10 -12.790 -2.489 2.692 64 HD3 PRO 10 2HD PRO 10 -14.290 -3.177 3.346 65 H THR 11 H THR 11 -12.284 -6.883 -0.472 66 HA THR 11 HA THR 11 -9.479 -6.765 0.022 67 HB THR 11 HB THR 11 -10.876 -8.323 -2.165 68 HG1 THR 11 HG1 THR 11 -10.544 -8.898 0.611 69 HG21 THR 11 1HG2 THR 11 -9.017 -9.889 -1.866 70 HG22 THR 11 2HG2 THR 11 -8.330 -8.846 -0.623 71 HG23 THR 11 3HG2 THR 11 -8.425 -8.283 -2.290 72 H ALA 12 H ALA 12 -11.633 -5.453 -2.329 73 HA ALA 12 HA ALA 12 -9.932 -4.935 -4.467 74 HB1 ALA 12 1HB ALA 12 -12.358 -4.585 -4.530 75 HB2 ALA 12 2HB ALA 12 -11.477 -3.155 -5.070 76 HB3 ALA 12 3HB ALA 12 -12.179 -3.199 -3.454 77 H PHE 13 H PHE 13 -10.506 -3.008 -1.535 78 HA PHE 13 HA PHE 13 -8.756 -0.907 -2.312 79 HB2 PHE 13 1HB PHE 13 -9.960 -1.665 0.342 80 HB3 PHE 13 2HB PHE 13 -8.875 -0.296 0.155 81 HD1 PHE 13 HD1 PHE 13 -12.209 -1.247 0.251 82 HD2 PHE 13 HD2 PHE 13 -9.546 1.308 -1.858 83 HE1 PHE 13 HE1 PHE 13 -14.106 0.149 -0.439 84 HE2 PHE 13 HE2 PHE 13 -11.436 2.717 -2.549 85 HZ PHE 13 HZ PHE 13 -13.723 2.139 -1.842 86 H ARG 14 H ARG 14 -8.316 -3.958 -0.717 87 HA ARG 14 HA ARG 14 -5.693 -3.417 0.280 88 HB2 ARG 14 1HB ARG 14 -7.089 -6.031 -0.320 89 HB3 ARG 14 2HB ARG 14 -5.517 -5.910 0.454 90 HG2 ARG 14 1HG ARG 14 -6.556 -4.640 2.296 91 HG3 ARG 14 2HG ARG 14 -8.127 -4.864 1.529 92 HD2 ARG 14 1HD ARG 14 -7.791 -6.501 3.306 93 HD3 ARG 14 2HD ARG 14 -7.880 -7.295 1.736 94 HE ARG 14 HE ARG 14 -5.227 -6.970 2.064 95 HH11 ARG 14 1HH1 ARG 14 -7.705 -8.272 4.166 96 HH12 ARG 14 2HH1 ARG 14 -6.634 -9.396 4.939 97 HH21 ARG 14 1HH2 ARG 14 -3.820 -8.450 3.074 98 HH22 ARG 14 2HH2 ARG 14 -4.422 -9.505 4.314 99 H GLN 15 H GLN 15 -7.007 -4.067 -2.781 100 HA GLN 15 HA GLN 15 -4.486 -4.921 -3.943 101 HB2 GLN 15 1HB GLN 15 -6.541 -5.933 -4.787 102 HB3 GLN 15 2HB GLN 15 -7.183 -4.351 -5.194 103 HG2 GLN 15 1HG GLN 15 -5.435 -4.054 -6.856 104 HG3 GLN 15 2HG GLN 15 -4.757 -5.623 -6.432 105 HE21 GLN 15 1HE2 GLN 15 -5.809 -4.633 -8.979 106 HE22 GLN 15 2HE2 GLN 15 -7.061 -5.733 -9.432 107 H ILE 16 H ILE 16 -6.521 -2.090 -3.674 108 HA ILE 16 HA ILE 16 -5.033 -0.509 -5.537 109 HB ILE 16 HB ILE 16 -6.908 0.394 -3.337 110 HG12 ILE 16 1HG1 ILE 16 -8.041 -1.048 -4.968 111 HG13 ILE 16 2HG1 ILE 16 -8.581 0.619 -5.139 112 HG21 ILE 16 1HG2 ILE 16 -5.856 1.898 -5.734 113 HG22 ILE 16 2HG2 ILE 16 -5.394 2.166 -4.053 114 HG23 ILE 16 3HG2 ILE 16 -7.044 2.498 -4.576 115 HD11 ILE 16 1HD1 ILE 16 -7.098 0.886 -7.071 116 HD12 ILE 16 2HD1 ILE 16 -8.269 -0.413 -7.304 117 HD13 ILE 16 3HD1 ILE 16 -6.594 -0.796 -6.906 118 H GLY 17 H GLY 17 -5.211 -0.693 -1.994 119 HA2 GLY 17 1HA GLY 17 -3.117 -0.787 -0.767 120 HA3 GLY 17 2HA GLY 17 -2.454 0.355 -1.924 121 H ASN 18 H ASN 18 -3.443 0.094 1.150 122 HA ASN 18 HA ASN 18 -4.028 2.978 1.269 123 HB2 ASN 18 1HB ASN 18 -5.211 0.800 3.007 124 HB3 ASN 18 2HB ASN 18 -5.372 2.519 3.329 125 HD21 ASN 18 1HD2 ASN 18 -6.644 3.788 1.939 126 HD22 ASN 18 2HD2 ASN 18 -7.830 3.074 0.909 127 H CYS 19 H CYS 19 -2.931 0.197 3.195 128 HA CYS 19 HA CYS 19 -1.483 1.935 4.997 129 HB2 CYS 19 1HB CYS 19 -1.565 -1.085 4.906 130 HB3 CYS 19 2HB CYS 19 -0.997 -0.087 6.241 131 HG CYS 19 HG CYS 19 -3.252 -0.193 7.442 132 H GLY 20 H GLY 20 -0.242 2.648 2.957 133 HA2 GLY 20 1HA GLY 20 1.789 2.795 1.904 134 HA3 GLY 20 2HA GLY 20 2.426 1.932 3.295 135 H ARG 21 H ARG 21 0.393 1.153 0.474 136 HA ARG 21 HA ARG 21 1.848 -1.379 0.243 137 HB2 ARG 21 1HB ARG 21 -0.754 -0.479 -0.995 138 HB3 ARG 21 2HB ARG 21 0.001 -2.037 -1.295 139 HG2 ARG 21 1HG ARG 21 -0.866 -1.071 1.422 140 HG3 ARG 21 2HG ARG 21 -1.839 -2.099 0.371 141 HD2 ARG 21 1HD ARG 21 -0.721 -3.478 1.996 142 HD3 ARG 21 2HD ARG 21 -0.017 -3.783 0.409 143 HE ARG 21 HE ARG 21 1.359 -1.828 2.059 144 HH11 ARG 21 1HH1 ARG 21 1.150 -5.167 1.033 145 HH12 ARG 21 2HH1 ARG 21 2.799 -5.523 1.426 146 HH21 ARG 21 1HH2 ARG 21 3.544 -2.292 2.557 147 HH22 ARG 21 2HH2 ARG 21 4.164 -3.889 2.285 148 H PHE 22 H PHE 22 2.427 1.514 -0.746 149 HA PHE 22 HA PHE 22 3.027 0.960 -3.528 150 HB2 PHE 22 1HB PHE 22 3.968 3.248 -3.532 151 HB3 PHE 22 2HB PHE 22 2.313 3.227 -2.942 152 HD1 PHE 22 HD1 PHE 22 5.800 3.825 -2.104 153 HD2 PHE 22 HD2 PHE 22 1.826 3.666 -0.594 154 HE1 PHE 22 HE1 PHE 22 6.522 5.031 -0.088 155 HE2 PHE 22 HE2 PHE 22 2.542 4.866 1.426 156 HZ PHE 22 HZ PHE 22 4.892 5.553 1.684 157 H ARG 23 H ARG 23 5.251 1.080 -4.313 158 HA ARG 23 HA ARG 23 6.991 -0.333 -2.469 159 HB2 ARG 23 1HB ARG 23 8.483 -0.564 -4.492 160 HB3 ARG 23 2HB ARG 23 6.909 -1.335 -4.610 161 HG2 ARG 23 1HG ARG 23 6.090 0.353 -6.051 162 HG3 ARG 23 2HG ARG 23 7.490 1.384 -5.749 163 HD2 ARG 23 1HD ARG 23 7.561 0.212 -7.940 164 HD3 ARG 23 2HD ARG 23 8.937 -0.144 -6.898 165 HE ARG 23 HE ARG 23 6.770 -2.039 -6.699 166 HH11 ARG 23 1HH1 ARG 23 9.722 -1.169 -8.358 167 HH12 ARG 23 2HH1 ARG 23 10.046 -2.788 -8.894 168 HH21 ARG 23 1HH2 ARG 23 7.205 -4.176 -7.385 169 HH22 ARG 23 2HH2 ARG 23 8.625 -4.500 -8.328 170 H VAL 24 H VAL 24 8.447 0.609 -1.303 171 HA VAL 24 HA VAL 24 8.942 3.398 -1.423 172 HB VAL 24 HB VAL 24 10.557 1.331 0.075 173 HG11 VAL 24 1HG1 VAL 24 10.116 4.271 0.576 174 HG12 VAL 24 2HG1 VAL 24 11.600 3.522 -0.008 175 HG13 VAL 24 3HG1 VAL 24 11.022 3.178 1.621 176 HG21 VAL 24 1HG2 VAL 24 8.037 2.754 0.924 177 HG22 VAL 24 2HG2 VAL 24 9.059 1.784 1.981 178 HG23 VAL 24 3HG2 VAL 24 8.221 1.026 0.629 179 H ARG 25 H ARG 25 10.463 0.612 -2.792 180 HA ARG 25 HA ARG 25 13.015 1.667 -3.312 181 HB2 ARG 25 1HB ARG 25 12.389 -0.747 -3.461 182 HB3 ARG 25 2HB ARG 25 11.495 -0.387 -4.931 183 HG2 ARG 25 1HG ARG 25 13.501 0.214 -6.085 184 HG3 ARG 25 2HG ARG 25 14.446 0.102 -4.598 185 HD2 ARG 25 1HD ARG 25 13.042 -2.181 -5.990 186 HD3 ARG 25 2HD ARG 25 14.777 -1.873 -6.000 187 HE ARG 25 HE ARG 25 13.671 -2.144 -3.357 188 HH11 ARG 25 1HH1 ARG 25 15.024 -3.864 -6.092 189 HH12 ARG 25 2HH1 ARG 25 15.482 -5.246 -5.150 190 HH21 ARG 25 1HH2 ARG 25 14.261 -3.961 -2.129 191 HH22 ARG 25 2HH2 ARG 25 15.039 -5.305 -2.904 192 H CYS 26 H CYS 26 9.957 2.288 -4.748 193 HA CYS 26 HA CYS 26 11.102 3.461 -7.141 194 HB2 CYS 26 1HB CYS 26 8.894 2.323 -7.213 195 HB3 CYS 26 2HB CYS 26 8.249 3.546 -6.124 196 HG CYS 26 HG CYS 26 8.017 5.511 -7.861 197 H CYS 27 H CYS 27 9.717 4.479 -4.067 198 HA CYS 27 HA CYS 27 9.640 7.253 -4.722 199 HB2 CYS 27 1HB CYS 27 9.569 5.931 -2.003 200 HB3 CYS 27 2HB CYS 27 9.089 7.586 -2.368 201 HG CYS 27 HG CYS 27 7.132 6.413 -4.310 202 H ARG 28 H ARG 28 12.057 5.147 -3.338 203 HA ARG 28 HA ARG 28 13.694 7.168 -2.215 204 HB2 ARG 28 1HB ARG 28 15.460 5.448 -2.163 205 HB3 ARG 28 2HB ARG 28 13.937 4.831 -1.545 206 HG2 ARG 28 1HG ARG 28 14.650 3.082 -2.842 207 HG3 ARG 28 2HG ARG 28 13.618 3.951 -3.975 208 HD2 ARG 28 1HD ARG 28 15.772 5.148 -4.706 209 HD3 ARG 28 2HD ARG 28 16.617 3.862 -3.846 210 HE ARG 28 HE ARG 28 14.680 2.833 -5.679 211 HH11 ARG 28 1HH1 ARG 28 17.926 4.127 -5.451 212 HH12 ARG 28 2HH1 ARG 28 18.475 3.353 -6.902 213 HH21 ARG 28 1HH2 ARG 28 15.401 1.812 -7.594 214 HH22 ARG 28 2HH2 ARG 28 17.043 2.028 -8.114 215 H ILE 29 H ILE 29 13.036 6.338 -5.418 216 HA ILE 29 HA ILE 29 15.388 7.855 -6.329 217 HB ILE 29 HB ILE 29 15.464 5.385 -6.876 218 HG12 ILE 29 1HG1 ILE 29 15.352 7.252 -9.256 219 HG13 ILE 29 2HG1 ILE 29 16.728 7.064 -8.176 220 HG21 ILE 29 1HG2 ILE 29 13.098 5.023 -7.278 221 HG22 ILE 29 2HG2 ILE 29 14.042 4.562 -8.696 222 HG23 ILE 29 3HG2 ILE 29 13.155 6.087 -8.684 223 HD11 ILE 29 1HD1 ILE 29 17.049 5.837 -10.243 224 HD12 ILE 29 2HD1 ILE 29 15.575 4.918 -9.942 225 HD13 ILE 29 3HD1 ILE 29 16.960 4.741 -8.865 226 H ARG 30 H ARG 30 12.417 8.372 -5.685 227 HA ARG 30 HA ARG 30 11.941 10.133 -7.929 228 HB2 ARG 30 1HB ARG 30 10.892 7.975 -8.610 229 HB3 ARG 30 2HB ARG 30 9.882 8.046 -7.172 230 HG2 ARG 30 1HG ARG 30 8.632 8.774 -9.093 231 HG3 ARG 30 2HG ARG 30 8.882 10.130 -7.995 232 HD2 ARG 30 1HD ARG 30 9.221 10.788 -10.324 233 HD3 ARG 30 2HD ARG 30 10.702 10.948 -9.384 234 HE ARG 30 HE ARG 30 10.545 8.420 -10.707 235 HH11 ARG 30 1HH1 ARG 30 11.285 11.801 -11.189 236 HH12 ARG 30 2HH1 ARG 30 12.366 11.516 -12.515 237 HH21 ARG 30 1HH2 ARG 30 11.956 8.032 -12.478 238 HH22 ARG 30 2HH2 ARG 30 12.739 9.371 -13.253 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -9.748 -14.955 -3.243 2 H2 ASN 1 2H ASN 1 -11.250 -14.192 -3.137 3 H3 ASN 1 3H ASN 1 -10.254 -13.910 -4.474 4 HA ASN 1 HA ASN 1 -12.055 -15.405 -5.046 5 HB2 ASN 1 1HB ASN 1 -9.485 -16.993 -4.892 6 HB3 ASN 1 2HB ASN 1 -10.756 -17.128 -6.095 7 HD21 ASN 1 1HD2 ASN 1 -7.962 -15.398 -5.062 8 HD22 ASN 1 2HD2 ASN 1 -7.797 -14.405 -6.471 9 H GLY 2 H GLY 2 -12.393 -17.964 -4.933 10 HA2 GLY 2 1HA GLY 2 -12.957 -19.820 -3.719 11 HA3 GLY 2 2HA GLY 2 -11.751 -19.325 -2.546 12 H ALA 3 H ALA 3 -12.413 -18.612 -0.620 13 HA ALA 3 HA ALA 3 -15.295 -18.569 -0.155 14 HB1 ALA 3 1HB ALA 3 -14.726 -18.759 2.204 15 HB2 ALA 3 2HB ALA 3 -13.014 -18.582 1.820 16 HB3 ALA 3 3HB ALA 3 -13.900 -20.002 1.263 17 H ILE 4 H ILE 4 -12.717 -16.400 -0.562 18 HA ILE 4 HA ILE 4 -13.960 -14.328 1.070 19 HB ILE 4 HB ILE 4 -11.378 -14.271 -0.510 20 HG12 ILE 4 1HG1 ILE 4 -10.447 -13.990 1.891 21 HG13 ILE 4 2HG1 ILE 4 -12.015 -14.594 2.422 22 HG21 ILE 4 1HG2 ILE 4 -12.543 -12.164 1.315 23 HG22 ILE 4 2HG2 ILE 4 -12.384 -12.051 -0.437 24 HG23 ILE 4 3HG2 ILE 4 -10.942 -12.117 0.576 25 HD11 ILE 4 1HD1 ILE 4 -11.632 -16.663 1.174 26 HD12 ILE 4 2HD1 ILE 4 -10.367 -16.367 2.366 27 HD13 ILE 4 3HD1 ILE 4 -10.058 -16.056 0.659 28 H CYS 5 H CYS 5 -15.812 -13.871 -0.027 29 HA CYS 5 HA CYS 5 -15.474 -12.622 -2.673 30 HB2 CYS 5 1HB CYS 5 -16.942 -14.593 -2.711 31 HB3 CYS 5 2HB CYS 5 -17.952 -13.872 -1.466 32 HG CYS 5 HG CYS 5 -19.504 -13.485 -3.596 33 H TRP 6 H TRP 6 -16.889 -12.370 0.518 34 HA TRP 6 HA TRP 6 -17.110 -9.474 0.154 35 HB2 TRP 6 1HB TRP 6 -19.362 -10.512 -0.155 36 HB3 TRP 6 2HB TRP 6 -19.237 -11.191 1.459 37 HD1 TRP 6 HD1 TRP 6 -19.278 -9.397 3.528 38 HE1 TRP 6 HE1 TRP 6 -20.427 -7.100 3.701 39 HE3 TRP 6 HE3 TRP 6 -20.031 -8.488 -1.446 40 HZ2 TRP 6 HZ2 TRP 6 -21.517 -5.166 1.956 41 HZ3 TRP 6 HZ3 TRP 6 -21.138 -6.395 -2.106 42 HH2 TRP 6 HH2 TRP 6 -21.864 -4.772 -0.439 43 H GLY 7 H GLY 7 -15.828 -8.590 1.655 44 HA2 GLY 7 1HA GLY 7 -15.647 -9.943 4.272 45 HA3 GLY 7 2HA GLY 7 -14.264 -9.184 3.500 46 HA PRO 8 HA PRO 8 -16.689 -6.171 6.365 47 HB2 PRO 8 1HB PRO 8 -14.218 -6.406 7.983 48 HB3 PRO 8 2HB PRO 8 -15.903 -6.354 8.509 49 HG2 PRO 8 1HG PRO 8 -14.511 -8.628 8.589 50 HG3 PRO 8 2HG PRO 8 -16.227 -8.615 8.142 51 HD2 PRO 8 1HD PRO 8 -13.815 -8.848 6.383 52 HD3 PRO 8 2HD PRO 8 -15.369 -9.699 6.283 53 H CYS 9 H CYS 9 -13.459 -6.584 5.156 54 HA CYS 9 HA CYS 9 -13.239 -3.677 4.743 55 HB2 CYS 9 1HB CYS 9 -11.008 -5.719 4.829 56 HB3 CYS 9 2HB CYS 9 -10.825 -3.977 4.688 57 HG CYS 9 HG CYS 9 -12.569 -4.638 7.385 58 HA PRO 10 HA PRO 10 -13.782 -4.536 0.405 59 HB2 PRO 10 1HB PRO 10 -11.988 -2.210 0.023 60 HB3 PRO 10 2HB PRO 10 -13.618 -2.484 -0.599 61 HG2 PRO 10 1HG PRO 10 -13.165 -0.759 1.384 62 HG3 PRO 10 2HG PRO 10 -14.624 -1.765 1.347 63 HD2 PRO 10 1HD PRO 10 -12.156 -2.061 2.997 64 HD3 PRO 10 2HD PRO 10 -13.847 -2.380 3.426 65 H THR 11 H THR 11 -12.723 -6.156 -0.514 66 HA THR 11 HA THR 11 -10.007 -6.759 -0.128 67 HB THR 11 HB THR 11 -11.737 -7.702 -2.421 68 HG1 THR 11 HG1 THR 11 -12.782 -8.919 -1.028 69 HG21 THR 11 1HG2 THR 11 -10.341 -9.722 -2.277 70 HG22 THR 11 2HG2 THR 11 -9.395 -8.972 -0.992 71 HG23 THR 11 3HG2 THR 11 -9.371 -8.289 -2.619 72 H ALA 12 H ALA 12 -11.740 -5.133 -2.728 73 HA ALA 12 HA ALA 12 -9.629 -4.846 -4.540 74 HB1 ALA 12 1HB ALA 12 -10.933 -3.030 -5.516 75 HB2 ALA 12 2HB ALA 12 -11.955 -2.982 -4.080 76 HB3 ALA 12 3HB ALA 12 -11.964 -4.405 -5.122 77 H PHE 13 H PHE 13 -10.645 -2.800 -1.837 78 HA PHE 13 HA PHE 13 -8.793 -0.719 -2.338 79 HB2 PHE 13 1HB PHE 13 -10.854 -0.551 -0.900 80 HB3 PHE 13 2HB PHE 13 -9.992 -1.461 0.334 81 HD1 PHE 13 HD1 PHE 13 -9.798 1.632 -1.702 82 HD2 PHE 13 HD2 PHE 13 -8.653 -0.362 1.874 83 HE1 PHE 13 HE1 PHE 13 -8.834 3.725 -0.849 84 HE2 PHE 13 HE2 PHE 13 -7.688 1.724 2.735 85 HZ PHE 13 HZ PHE 13 -7.775 3.776 1.374 86 H ARG 14 H ARG 14 -8.624 -3.739 -0.586 87 HA ARG 14 HA ARG 14 -6.118 -3.266 0.679 88 HB2 ARG 14 1HB ARG 14 -7.623 -5.795 0.010 89 HB3 ARG 14 2HB ARG 14 -6.065 -5.814 0.821 90 HG2 ARG 14 1HG ARG 14 -7.004 -4.515 2.662 91 HG3 ARG 14 2HG ARG 14 -8.566 -4.482 1.843 92 HD2 ARG 14 1HD ARG 14 -8.797 -6.864 2.044 93 HD3 ARG 14 2HD ARG 14 -7.146 -7.024 2.644 94 HE ARG 14 HE ARG 14 -8.545 -5.312 4.357 95 HH11 ARG 14 1HH1 ARG 14 -8.563 -8.687 3.418 96 HH12 ARG 14 2HH1 ARG 14 -9.122 -9.240 4.963 97 HH21 ARG 14 1HH2 ARG 14 -9.272 -6.045 6.389 98 HH22 ARG 14 2HH2 ARG 14 -9.553 -7.738 6.641 99 H GLN 15 H GLN 15 -7.077 -4.284 -2.486 100 HA GLN 15 HA GLN 15 -4.495 -5.375 -3.178 101 HB2 GLN 15 1HB GLN 15 -7.009 -4.890 -4.775 102 HB3 GLN 15 2HB GLN 15 -5.539 -5.543 -5.475 103 HG2 GLN 15 1HG GLN 15 -7.060 -6.785 -3.199 104 HG3 GLN 15 2HG GLN 15 -7.185 -7.270 -4.889 105 HE21 GLN 15 1HE2 GLN 15 -4.394 -6.932 -5.476 106 HE22 GLN 15 2HE2 GLN 15 -3.559 -8.226 -4.695 107 H ILE 16 H ILE 16 -6.335 -2.447 -3.795 108 HA ILE 16 HA ILE 16 -4.389 -1.394 -5.633 109 HB ILE 16 HB ILE 16 -6.696 0.027 -4.285 110 HG12 ILE 16 1HG1 ILE 16 -6.550 -1.302 -7.006 111 HG13 ILE 16 2HG1 ILE 16 -7.443 -1.918 -5.618 112 HG21 ILE 16 1HG2 ILE 16 -5.062 0.751 -6.719 113 HG22 ILE 16 2HG2 ILE 16 -5.040 1.572 -5.160 114 HG23 ILE 16 3HG2 ILE 16 -6.494 1.614 -6.158 115 HD11 ILE 16 1HD1 ILE 16 -8.913 -0.821 -7.206 116 HD12 ILE 16 2HD1 ILE 16 -7.988 0.670 -7.049 117 HD13 ILE 16 3HD1 ILE 16 -8.887 0.042 -5.669 118 H GLY 17 H GLY 17 -5.173 -1.042 -2.231 119 HA2 GLY 17 1HA GLY 17 -3.658 1.284 -1.719 120 HA3 GLY 17 2HA GLY 17 -4.168 0.106 -0.523 121 H ASN 18 H ASN 18 -1.593 1.307 -2.407 122 HA ASN 18 HA ASN 18 0.218 -0.679 -1.205 123 HB2 ASN 18 1HB ASN 18 0.426 0.631 -3.923 124 HB3 ASN 18 2HB ASN 18 1.714 -0.307 -3.187 125 HD21 ASN 18 1HD2 ASN 18 -0.154 -2.262 -2.034 126 HD22 ASN 18 2HD2 ASN 18 -0.685 -3.230 -3.357 127 H CYS 19 H CYS 19 1.555 0.220 0.220 128 HA CYS 19 HA CYS 19 1.862 2.995 0.581 129 HB2 CYS 19 1HB CYS 19 3.676 0.756 1.507 130 HB3 CYS 19 2HB CYS 19 3.669 2.401 2.135 131 HG CYS 19 HG CYS 19 0.624 1.379 2.415 132 H GLY 20 H GLY 20 2.820 4.325 -0.795 133 HA2 GLY 20 1HA GLY 20 5.053 4.919 -1.758 134 HA3 GLY 20 2HA GLY 20 5.055 3.290 -2.427 135 H ARG 21 H ARG 21 2.338 3.165 -3.153 136 HA ARG 21 HA ARG 21 2.293 4.908 -5.483 137 HB2 ARG 21 1HB ARG 21 0.423 2.710 -4.569 138 HB3 ARG 21 2HB ARG 21 0.197 3.640 -6.042 139 HG2 ARG 21 1HG ARG 21 2.646 1.989 -5.475 140 HG3 ARG 21 2HG ARG 21 1.234 1.384 -6.341 141 HD2 ARG 21 1HD ARG 21 2.839 2.072 -7.968 142 HD3 ARG 21 2HD ARG 21 1.534 3.252 -7.973 143 HE ARG 21 HE ARG 21 4.013 3.777 -6.479 144 HH11 ARG 21 1HH1 ARG 21 1.715 4.665 -8.975 145 HH12 ARG 21 2HH1 ARG 21 2.469 6.189 -9.302 146 HH21 ARG 21 1HH2 ARG 21 4.997 5.789 -6.907 147 HH22 ARG 21 2HH2 ARG 21 4.332 6.836 -8.121 148 H PHE 22 H PHE 22 0.760 4.434 -2.423 149 HA PHE 22 HA PHE 22 -0.674 6.978 -2.770 150 HB2 PHE 22 1HB PHE 22 -1.263 4.648 -0.928 151 HB3 PHE 22 2HB PHE 22 -2.100 6.194 -0.866 152 HD1 PHE 22 HD1 PHE 22 -3.771 6.762 -2.467 153 HD2 PHE 22 HD2 PHE 22 -1.551 3.157 -2.847 154 HE1 PHE 22 HE1 PHE 22 -5.354 5.974 -4.170 155 HE2 PHE 22 HE2 PHE 22 -3.127 2.361 -4.551 156 HZ PHE 22 HZ PHE 22 -5.034 3.770 -5.220 157 H ARG 23 H ARG 23 0.747 8.445 -2.074 158 HA ARG 23 HA ARG 23 2.385 7.816 0.260 159 HB2 ARG 23 1HB ARG 23 3.699 9.846 -0.466 160 HB3 ARG 23 2HB ARG 23 3.725 8.484 -1.579 161 HG2 ARG 23 1HG ARG 23 2.001 9.598 -2.942 162 HG3 ARG 23 2HG ARG 23 2.056 10.977 -1.844 163 HD2 ARG 23 1HD ARG 23 4.398 11.346 -2.400 164 HD3 ARG 23 2HD ARG 23 4.381 9.938 -3.462 165 HE ARG 23 HE ARG 23 2.410 11.948 -4.098 166 HH11 ARG 23 1HH1 ARG 23 5.665 10.806 -4.652 167 HH12 ARG 23 2HH1 ARG 23 5.823 11.613 -6.177 168 HH21 ARG 23 1HH2 ARG 23 2.612 13.026 -6.099 169 HH22 ARG 23 2HH2 ARG 23 4.087 12.875 -7.002 170 H VAL 24 H VAL 24 0.946 8.165 1.879 171 HA VAL 24 HA VAL 24 -0.487 10.676 2.066 172 HB VAL 24 HB VAL 24 -1.433 9.759 4.143 173 HG11 VAL 24 1HG1 VAL 24 -1.510 7.851 1.808 174 HG12 VAL 24 2HG1 VAL 24 -2.535 9.268 2.037 175 HG13 VAL 24 3HG1 VAL 24 -2.674 7.892 3.132 176 HG21 VAL 24 1HG2 VAL 24 0.519 8.478 4.892 177 HG22 VAL 24 2HG2 VAL 24 0.264 7.329 3.578 178 HG23 VAL 24 3HG2 VAL 24 -0.939 7.485 4.856 179 H ARG 25 H ARG 25 2.503 9.419 3.028 180 HA ARG 25 HA ARG 25 2.781 11.055 5.394 181 HB2 ARG 25 1HB ARG 25 3.787 8.725 5.014 182 HB3 ARG 25 2HB ARG 25 4.964 9.525 3.985 183 HG2 ARG 25 1HG ARG 25 5.887 9.185 6.174 184 HG3 ARG 25 2HG ARG 25 5.654 10.914 5.894 185 HD2 ARG 25 1HD ARG 25 4.955 10.203 8.160 186 HD3 ARG 25 2HD ARG 25 3.636 10.900 7.221 187 HE ARG 25 HE ARG 25 3.892 7.991 7.205 188 HH11 ARG 25 1HH1 ARG 25 2.257 10.825 8.459 189 HH12 ARG 25 2HH1 ARG 25 0.876 9.936 9.014 190 HH21 ARG 25 1HH2 ARG 25 2.071 6.823 7.946 191 HH22 ARG 25 2HH2 ARG 25 0.769 7.666 8.725 192 H CYS 26 H CYS 26 3.229 11.460 2.058 193 HA CYS 26 HA CYS 26 5.496 13.242 2.265 194 HB2 CYS 26 1HB CYS 26 3.792 12.552 -0.135 195 HB3 CYS 26 2HB CYS 26 5.327 13.412 -0.169 196 HG CYS 26 HG CYS 26 6.561 11.051 1.141 197 H CYS 27 H CYS 27 2.280 13.658 2.873 198 HA CYS 27 HA CYS 27 1.782 16.109 1.489 199 HB2 CYS 27 1HB CYS 27 -0.209 16.250 2.966 200 HB3 CYS 27 2HB CYS 27 -0.069 14.690 2.161 201 HG CYS 27 HG CYS 27 -0.027 13.228 4.279 202 H ARG 28 H ARG 28 3.711 15.384 4.107 203 HA ARG 28 HA ARG 28 3.301 17.956 5.427 204 HB2 ARG 28 1HB ARG 28 4.718 17.061 7.212 205 HB3 ARG 28 2HB ARG 28 3.401 15.955 6.847 206 HG2 ARG 28 1HG ARG 28 4.963 14.622 5.470 207 HG3 ARG 28 2HG ARG 28 6.268 15.692 5.986 208 HD2 ARG 28 1HD ARG 28 5.878 15.068 8.306 209 HD3 ARG 28 2HD ARG 28 4.542 14.028 7.813 210 HE ARG 28 HE ARG 28 6.744 13.174 6.385 211 HH11 ARG 28 1HH1 ARG 28 5.822 13.432 9.753 212 HH12 ARG 28 2HH1 ARG 28 6.829 12.110 10.256 213 HH21 ARG 28 1HH2 ARG 28 8.056 11.439 7.032 214 HH22 ARG 28 2HH2 ARG 28 8.096 10.973 8.703 215 H ILE 29 H ILE 29 5.232 16.662 3.018 216 HA ILE 29 HA ILE 29 7.318 18.670 3.543 217 HB ILE 29 HB ILE 29 8.881 17.130 2.240 218 HG12 ILE 29 1HG1 ILE 29 6.813 15.066 3.035 219 HG13 ILE 29 2HG1 ILE 29 7.100 15.622 1.389 220 HG21 ILE 29 1HG2 ILE 29 9.143 17.522 4.612 221 HG22 ILE 29 2HG2 ILE 29 9.449 15.822 4.252 222 HG23 ILE 29 3HG2 ILE 29 7.917 16.309 4.977 223 HD11 ILE 29 1HD1 ILE 29 8.169 13.484 1.793 224 HD12 ILE 29 2HD1 ILE 29 9.076 14.176 3.138 225 HD13 ILE 29 3HD1 ILE 29 9.374 14.735 1.493 226 H ARG 30 H ARG 30 7.766 20.034 1.963 227 HA ARG 30 HA ARG 30 7.440 19.487 -0.801 228 HB2 ARG 30 1HB ARG 30 5.053 19.817 -0.205 229 HB3 ARG 30 2HB ARG 30 5.446 21.408 0.430 230 HG2 ARG 30 1HG ARG 30 6.112 22.156 -1.772 231 HG3 ARG 30 2HG ARG 30 5.809 20.549 -2.433 232 HD2 ARG 30 1HD ARG 30 3.759 22.390 -1.198 233 HD3 ARG 30 2HD ARG 30 3.953 22.052 -2.918 234 HE ARG 30 HE ARG 30 3.563 19.592 -1.849 235 HH11 ARG 30 1HH1 ARG 30 1.806 22.610 -1.615 236 HH12 ARG 30 2HH1 ARG 30 0.269 21.843 -1.378 237 HH21 ARG 30 1HH2 ARG 30 1.539 18.580 -1.545 238 HH22 ARG 30 2HH2 ARG 30 0.113 19.549 -1.354 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 -12.901 -17.673 0.756 2 H2 ASN 1 2H ASN 1 -13.078 -18.903 -0.386 3 H3 ASN 1 3H ASN 1 -11.545 -18.525 0.210 4 HA ASN 1 HA ASN 1 -12.404 -20.558 1.190 5 HB2 ASN 1 1HB ASN 1 -12.134 -18.184 3.038 6 HB3 ASN 1 2HB ASN 1 -12.136 -19.854 3.586 7 HD21 ASN 1 1HD2 ASN 1 -10.343 -21.128 3.233 8 HD22 ASN 1 2HD2 ASN 1 -8.841 -20.496 2.657 9 H GLY 2 H GLY 2 -14.710 -20.183 0.070 10 HA2 GLY 2 1HA GLY 2 -16.821 -21.066 0.813 11 HA3 GLY 2 2HA GLY 2 -16.605 -20.188 2.320 12 H ALA 3 H ALA 3 -18.820 -19.473 1.833 13 HA ALA 3 HA ALA 3 -19.152 -17.600 -0.352 14 HB1 ALA 3 1HB ALA 3 -21.047 -18.337 1.875 15 HB2 ALA 3 2HB ALA 3 -20.983 -19.097 0.286 16 HB3 ALA 3 3HB ALA 3 -21.446 -17.401 0.434 17 H ILE 4 H ILE 4 -18.849 -17.533 3.153 18 HA ILE 4 HA ILE 4 -19.248 -14.668 3.267 19 HB ILE 4 HB ILE 4 -18.363 -16.535 5.478 20 HG12 ILE 4 1HG1 ILE 4 -21.146 -15.581 4.742 21 HG13 ILE 4 2HG1 ILE 4 -20.538 -17.226 4.543 22 HG21 ILE 4 1HG2 ILE 4 -19.190 -14.765 6.968 23 HG22 ILE 4 2HG2 ILE 4 -19.558 -13.761 5.565 24 HG23 ILE 4 3HG2 ILE 4 -17.887 -14.187 5.929 25 HD11 ILE 4 1HD1 ILE 4 -20.301 -17.421 6.968 26 HD12 ILE 4 2HD1 ILE 4 -21.958 -17.048 6.495 27 HD13 ILE 4 3HD1 ILE 4 -20.925 -15.781 7.157 28 H CYS 5 H CYS 5 -17.705 -13.180 3.245 29 HA CYS 5 HA CYS 5 -15.004 -13.971 2.655 30 HB2 CYS 5 1HB CYS 5 -16.151 -12.104 1.491 31 HB3 CYS 5 2HB CYS 5 -16.188 -11.208 3.001 32 HG CYS 5 HG CYS 5 -14.179 -10.430 0.984 33 H TRP 6 H TRP 6 -16.781 -12.879 5.376 34 HA TRP 6 HA TRP 6 -16.311 -12.598 7.571 35 HB2 TRP 6 1HB TRP 6 -13.891 -14.197 6.769 36 HB3 TRP 6 2HB TRP 6 -14.182 -13.700 8.427 37 HD1 TRP 6 HD1 TRP 6 -15.448 -16.112 5.757 38 HE1 TRP 6 HE1 TRP 6 -16.990 -17.845 6.873 39 HE3 TRP 6 HE3 TRP 6 -15.762 -14.029 10.410 40 HZ2 TRP 6 HZ2 TRP 6 -18.172 -18.271 9.404 41 HZ3 TRP 6 HZ3 TRP 6 -17.117 -15.162 12.121 42 HH2 TRP 6 HH2 TRP 6 -18.296 -17.238 11.625 43 H GLY 7 H GLY 7 -15.525 -10.550 5.663 44 HA2 GLY 7 1HA GLY 7 -13.720 -9.080 7.407 45 HA3 GLY 7 2HA GLY 7 -13.139 -9.376 5.777 46 HA PRO 8 HA PRO 8 -16.693 -6.013 5.910 47 HB2 PRO 8 1HB PRO 8 -15.238 -4.311 7.830 48 HB3 PRO 8 2HB PRO 8 -16.964 -4.676 7.739 49 HG2 PRO 8 1HG PRO 8 -15.418 -5.691 9.677 50 HG3 PRO 8 2HG PRO 8 -16.753 -6.618 8.968 51 HD2 PRO 8 1HD PRO 8 -13.812 -6.828 8.445 52 HD3 PRO 8 2HD PRO 8 -15.022 -8.117 8.614 53 H CYS 9 H CYS 9 -13.234 -5.881 6.167 54 HA CYS 9 HA CYS 9 -12.872 -3.446 4.724 55 HB2 CYS 9 1HB CYS 9 -10.935 -5.718 5.196 56 HB3 CYS 9 2HB CYS 9 -10.513 -4.104 4.637 57 HG CYS 9 HG CYS 9 -12.027 -3.347 7.257 58 HA PRO 10 HA PRO 10 -13.803 -5.184 0.720 59 HB2 PRO 10 1HB PRO 10 -12.505 -2.747 -0.304 60 HB3 PRO 10 2HB PRO 10 -14.158 -3.322 -0.545 61 HG2 PRO 10 1HG PRO 10 -13.622 -1.211 1.014 62 HG3 PRO 10 2HG PRO 10 -14.918 -2.356 1.409 63 HD2 PRO 10 1HD PRO 10 -12.161 -2.141 2.566 64 HD3 PRO 10 2HD PRO 10 -13.705 -2.458 3.380 65 H THR 11 H THR 11 -12.611 -6.702 -0.189 66 HA THR 11 HA THR 11 -9.817 -6.902 0.161 67 HB THR 11 HB THR 11 -11.505 -8.442 -1.818 68 HG1 THR 11 HG1 THR 11 -11.233 -8.636 0.990 69 HG21 THR 11 1HG2 THR 11 -8.976 -9.169 -0.334 70 HG22 THR 11 2HG2 THR 11 -9.075 -8.742 -2.042 71 HG23 THR 11 3HG2 THR 11 -9.853 -10.211 -1.453 72 H ALA 12 H ALA 12 -11.851 -5.943 -2.564 73 HA ALA 12 HA ALA 12 -9.745 -5.766 -4.459 74 HB1 ALA 12 1HB ALA 12 -12.082 -5.990 -5.130 75 HB2 ALA 12 2HB ALA 12 -11.348 -4.554 -5.845 76 HB3 ALA 12 3HB ALA 12 -12.431 -4.395 -4.463 77 H PHE 13 H PHE 13 -10.958 -3.613 -2.018 78 HA PHE 13 HA PHE 13 -9.743 -1.248 -3.037 79 HB2 PHE 13 1HB PHE 13 -11.637 -1.252 -1.427 80 HB3 PHE 13 2HB PHE 13 -10.548 -1.867 -0.192 81 HD1 PHE 13 HD1 PHE 13 -10.821 0.950 -2.610 82 HD2 PHE 13 HD2 PHE 13 -9.566 -0.364 1.236 83 HE1 PHE 13 HE1 PHE 13 -10.211 3.258 -2.027 84 HE2 PHE 13 HE2 PHE 13 -8.953 1.940 1.828 85 HZ PHE 13 HZ PHE 13 -9.275 3.758 0.197 86 H ARG 14 H ARG 14 -8.692 -3.881 -0.991 87 HA ARG 14 HA ARG 14 -6.304 -2.560 -0.103 88 HB2 ARG 14 1HB ARG 14 -7.010 -5.498 -0.066 89 HB3 ARG 14 2HB ARG 14 -5.627 -4.776 0.742 90 HG2 ARG 14 1HG ARG 14 -7.423 -3.306 1.922 91 HG3 ARG 14 2HG ARG 14 -8.529 -4.585 1.416 92 HD2 ARG 14 1HD ARG 14 -7.758 -5.071 3.645 93 HD3 ARG 14 2HD ARG 14 -7.041 -6.241 2.535 94 HE ARG 14 HE ARG 14 -5.310 -4.025 2.886 95 HH11 ARG 14 1HH1 ARG 14 -6.447 -6.892 4.539 96 HH12 ARG 14 2HH1 ARG 14 -5.028 -7.044 5.525 97 HH21 ARG 14 1HH2 ARG 14 -3.447 -4.217 4.177 98 HH22 ARG 14 2HH2 ARG 14 -3.316 -5.523 5.313 99 H GLN 15 H GLN 15 -7.213 -3.717 -3.045 100 HA GLN 15 HA GLN 15 -4.670 -4.708 -3.945 101 HB2 GLN 15 1HB GLN 15 -6.866 -5.314 -4.998 102 HB3 GLN 15 2HB GLN 15 -6.985 -3.667 -5.592 103 HG2 GLN 15 1HG GLN 15 -4.894 -4.011 -6.856 104 HG3 GLN 15 2HG GLN 15 -4.879 -5.690 -6.315 105 HE21 GLN 15 1HE2 GLN 15 -6.447 -7.112 -7.101 106 HE22 GLN 15 2HE2 GLN 15 -7.352 -6.767 -8.532 107 H ILE 16 H ILE 16 -6.105 -1.668 -3.390 108 HA ILE 16 HA ILE 16 -4.287 -0.198 -5.108 109 HB ILE 16 HB ILE 16 -6.213 0.829 -3.008 110 HG12 ILE 16 1HG1 ILE 16 -6.514 0.629 -6.019 111 HG13 ILE 16 2HG1 ILE 16 -7.382 -0.339 -4.828 112 HG21 ILE 16 1HG2 ILE 16 -4.749 2.297 -5.204 113 HG22 ILE 16 2HG2 ILE 16 -4.401 2.395 -3.478 114 HG23 ILE 16 3HG2 ILE 16 -5.935 3.002 -4.104 115 HD11 ILE 16 1HD1 ILE 16 -7.601 2.646 -5.158 116 HD12 ILE 16 2HD1 ILE 16 -8.490 1.661 -3.997 117 HD13 ILE 16 3HD1 ILE 16 -8.768 1.451 -5.726 118 H GLY 17 H GLY 17 -4.621 -1.188 -1.800 119 HA2 GLY 17 1HA GLY 17 -3.101 -1.223 -0.076 120 HA3 GLY 17 2HA GLY 17 -1.889 -0.622 -1.200 121 H ASN 18 H ASN 18 -1.041 0.889 0.225 122 HA ASN 18 HA ASN 18 -2.836 3.151 0.795 123 HB2 ASN 18 1HB ASN 18 -0.304 2.328 2.230 124 HB3 ASN 18 2HB ASN 18 -1.189 3.807 2.552 125 HD21 ASN 18 1HD2 ASN 18 -3.803 2.472 2.184 126 HD22 ASN 18 2HD2 ASN 18 -4.043 1.541 3.615 127 H CYS 19 H CYS 19 0.697 2.854 0.631 128 HA CYS 19 HA CYS 19 0.746 4.575 -1.721 129 HB2 CYS 19 1HB CYS 19 2.164 5.246 0.864 130 HB3 CYS 19 2HB CYS 19 2.454 6.054 -0.671 131 HG CYS 19 HG CYS 19 0.792 7.915 -0.080 132 H GLY 20 H GLY 20 1.343 2.251 -2.348 133 HA2 GLY 20 1HA GLY 20 3.241 1.456 -3.574 134 HA3 GLY 20 2HA GLY 20 4.283 2.144 -2.340 135 H ARG 21 H ARG 21 1.454 0.247 -1.562 136 HA ARG 21 HA ARG 21 3.160 -1.759 -0.326 137 HB2 ARG 21 1HB ARG 21 1.193 -0.891 0.917 138 HB3 ARG 21 2HB ARG 21 0.140 -1.534 -0.332 139 HG2 ARG 21 1HG ARG 21 0.895 -3.792 0.187 140 HG3 ARG 21 2HG ARG 21 1.957 -3.150 1.441 141 HD2 ARG 21 1HD ARG 21 -0.044 -2.214 2.578 142 HD3 ARG 21 2HD ARG 21 -1.055 -3.007 1.372 143 HE ARG 21 HE ARG 21 0.673 -4.413 3.304 144 HH11 ARG 21 1HH1 ARG 21 -2.145 -4.332 1.217 145 HH12 ARG 21 2HH1 ARG 21 -2.755 -5.858 1.773 146 HH21 ARG 21 1HH2 ARG 21 -0.122 -6.410 4.032 147 HH22 ARG 21 2HH2 ARG 21 -1.603 -7.040 3.386 148 H PHE 22 H PHE 22 0.681 -1.469 -2.801 149 HA PHE 22 HA PHE 22 1.080 -4.229 -3.650 150 HB2 PHE 22 1HB PHE 22 -1.212 -3.184 -3.516 151 HB3 PHE 22 2HB PHE 22 -0.738 -2.109 -4.822 152 HD1 PHE 22 HD1 PHE 22 -0.618 -2.877 -7.082 153 HD2 PHE 22 HD2 PHE 22 -1.531 -5.566 -3.916 154 HE1 PHE 22 HE1 PHE 22 -1.354 -4.551 -8.724 155 HE2 PHE 22 HE2 PHE 22 -2.268 -7.246 -5.551 156 HZ PHE 22 HZ PHE 22 -2.179 -6.742 -7.961 157 H ARG 23 H ARG 23 2.041 -4.782 -5.611 158 HA ARG 23 HA ARG 23 3.755 -2.691 -6.686 159 HB2 ARG 23 1HB ARG 23 3.694 -5.642 -7.337 160 HB3 ARG 23 2HB ARG 23 4.907 -4.493 -7.879 161 HG2 ARG 23 1HG ARG 23 4.397 -5.407 -5.055 162 HG3 ARG 23 2HG ARG 23 5.804 -5.759 -6.059 163 HD2 ARG 23 1HD ARG 23 6.417 -3.398 -6.052 164 HD3 ARG 23 2HD ARG 23 4.982 -3.014 -5.102 165 HE ARG 23 HE ARG 23 6.612 -4.969 -3.816 166 HH11 ARG 23 1HH1 ARG 23 6.303 -1.529 -4.404 167 HH12 ARG 23 2HH1 ARG 23 7.178 -1.081 -2.973 168 HH21 ARG 23 1HH2 ARG 23 7.764 -4.375 -1.942 169 HH22 ARG 23 2HH2 ARG 23 8.016 -2.693 -1.586 170 H VAL 24 H VAL 24 2.313 -1.453 -7.787 171 HA VAL 24 HA VAL 24 0.445 -2.472 -9.668 172 HB VAL 24 HB VAL 24 1.550 0.332 -9.429 173 HG11 VAL 24 1HG1 VAL 24 -0.958 -0.664 -10.773 174 HG12 VAL 24 2HG1 VAL 24 0.486 -0.063 -11.586 175 HG13 VAL 24 3HG1 VAL 24 -0.486 1.025 -10.595 176 HG21 VAL 24 1HG2 VAL 24 -0.442 0.820 -8.117 177 HG22 VAL 24 2HG2 VAL 24 0.510 -0.448 -7.351 178 HG23 VAL 24 3HG2 VAL 24 -0.953 -0.861 -8.242 179 H ARG 25 H ARG 25 3.713 -1.204 -9.852 180 HA ARG 25 HA ARG 25 3.978 -0.966 -12.620 181 HB2 ARG 25 1HB ARG 25 6.069 -1.810 -10.600 182 HB3 ARG 25 2HB ARG 25 6.404 -1.234 -12.225 183 HG2 ARG 25 1HG ARG 25 5.035 0.380 -10.082 184 HG3 ARG 25 2HG ARG 25 6.754 0.470 -10.468 185 HD2 ARG 25 1HD ARG 25 6.254 1.259 -12.698 186 HD3 ARG 25 2HD ARG 25 4.525 1.039 -12.426 187 HE ARG 25 HE ARG 25 5.206 2.747 -10.458 188 HH11 ARG 25 1HH1 ARG 25 5.918 2.771 -13.891 189 HH12 ARG 25 2HH1 ARG 25 5.867 4.501 -14.012 190 HH21 ARG 25 1HH2 ARG 25 5.164 5.013 -10.611 191 HH22 ARG 25 2HH2 ARG 25 5.434 5.778 -12.146 192 H CYS 26 H CYS 26 4.688 -3.728 -10.517 193 HA CYS 26 HA CYS 26 5.523 -5.448 -12.602 194 HB2 CYS 26 1HB CYS 26 4.484 -6.234 -9.872 195 HB3 CYS 26 2HB CYS 26 5.537 -7.179 -10.920 196 HG CYS 26 HG CYS 26 7.733 -5.517 -10.670 197 H CYS 27 H CYS 27 2.431 -4.986 -10.944 198 HA CYS 27 HA CYS 27 1.176 -7.229 -12.179 199 HB2 CYS 27 1HB CYS 27 0.462 -6.208 -10.000 200 HB3 CYS 27 2HB CYS 27 -0.155 -4.831 -10.904 201 HG CYS 27 HG CYS 27 -1.443 -7.927 -10.574 202 H ARG 28 H ARG 28 1.615 -3.888 -13.051 203 HA ARG 28 HA ARG 28 -0.486 -3.826 -14.992 204 HB2 ARG 28 1HB ARG 28 0.382 -1.799 -13.811 205 HB3 ARG 28 2HB ARG 28 1.879 -1.962 -14.716 206 HG2 ARG 28 1HG ARG 28 0.726 -1.566 -16.790 207 HG3 ARG 28 2HG ARG 28 -0.831 -1.545 -15.958 208 HD2 ARG 28 1HD ARG 28 -0.102 0.722 -16.406 209 HD3 ARG 28 2HD ARG 28 -0.089 0.418 -14.670 210 HE ARG 28 HE ARG 28 2.462 -0.109 -15.762 211 HH11 ARG 28 1HH1 ARG 28 0.329 2.525 -14.905 212 HH12 ARG 28 2HH1 ARG 28 1.612 3.680 -14.730 213 HH21 ARG 28 1HH2 ARG 28 4.171 1.413 -15.499 214 HH22 ARG 28 2HH2 ARG 28 3.787 3.051 -15.067 215 H ILE 29 H ILE 29 3.048 -4.186 -15.134 216 HA ILE 29 HA ILE 29 3.086 -4.402 -17.982 217 HB ILE 29 HB ILE 29 5.098 -3.693 -16.758 218 HG12 ILE 29 1HG1 ILE 29 5.487 -6.299 -18.255 219 HG13 ILE 29 2HG1 ILE 29 5.342 -4.705 -18.989 220 HG21 ILE 29 1HG2 ILE 29 6.448 -5.317 -15.510 221 HG22 ILE 29 2HG2 ILE 29 5.180 -6.523 -15.717 222 HG23 ILE 29 3HG2 ILE 29 4.867 -5.071 -14.768 223 HD11 ILE 29 1HD1 ILE 29 7.552 -5.611 -17.157 224 HD12 ILE 29 2HD1 ILE 29 7.408 -4.015 -17.890 225 HD13 ILE 29 3HD1 ILE 29 7.653 -5.432 -18.909 226 H ARG 30 H ARG 30 2.888 -6.651 -15.320 227 HA ARG 30 HA ARG 30 2.358 -8.846 -15.153 228 HB2 ARG 30 1HB ARG 30 0.436 -7.814 -16.636 229 HB3 ARG 30 2HB ARG 30 1.148 -8.815 -17.890 230 HG2 ARG 30 1HG ARG 30 0.339 -9.944 -15.232 231 HG3 ARG 30 2HG ARG 30 -0.800 -9.780 -16.566 232 HD2 ARG 30 1HD ARG 30 1.801 -11.305 -16.685 233 HD3 ARG 30 2HD ARG 30 0.217 -12.033 -16.419 234 HE ARG 30 HE ARG 30 -0.055 -10.609 -18.739 235 HH11 ARG 30 1HH1 ARG 30 2.065 -13.151 -17.622 236 HH12 ARG 30 2HH1 ARG 30 2.308 -13.818 -19.202 237 HH21 ARG 30 1HH2 ARG 30 0.236 -11.497 -20.823 238 HH22 ARG 30 2HH2 ARG 30 1.264 -12.879 -21.025 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 -21.844 0.038 -2.706 2 H2 ASN 1 2H ASN 1 -21.866 -0.250 -4.374 3 H3 ASN 1 3H ASN 1 -23.023 -0.972 -3.381 4 HA ASN 1 HA ASN 1 -23.947 0.872 -4.612 5 HB2 ASN 1 1HB ASN 1 -23.698 1.305 -1.628 6 HB3 ASN 1 2HB ASN 1 -24.869 2.122 -2.654 7 HD21 ASN 1 1HD2 ASN 1 -26.548 0.909 -3.597 8 HD22 ASN 1 2HD2 ASN 1 -27.020 -0.622 -2.938 9 H GLY 2 H GLY 2 -22.775 2.210 -5.911 10 HA2 GLY 2 1HA GLY 2 -21.814 4.197 -6.533 11 HA3 GLY 2 2HA GLY 2 -22.177 4.788 -4.920 12 H ALA 3 H ALA 3 -20.465 5.421 -3.814 13 HA ALA 3 HA ALA 3 -17.809 4.687 -4.642 14 HB1 ALA 3 1HB ALA 3 -18.734 6.329 -2.282 15 HB2 ALA 3 2HB ALA 3 -18.297 6.957 -3.870 16 HB3 ALA 3 3HB ALA 3 -17.073 6.192 -2.857 17 H ILE 4 H ILE 4 -20.079 3.755 -2.185 18 HA ILE 4 HA ILE 4 -18.086 2.290 -0.666 19 HB ILE 4 HB ILE 4 -21.086 2.432 -0.302 20 HG12 ILE 4 1HG1 ILE 4 -19.947 4.589 0.080 21 HG13 ILE 4 2HG1 ILE 4 -20.590 3.924 1.579 22 HG21 ILE 4 1HG2 ILE 4 -18.974 1.291 1.530 23 HG22 ILE 4 2HG2 ILE 4 -20.141 0.359 0.594 24 HG23 ILE 4 3HG2 ILE 4 -20.696 1.422 1.887 25 HD11 ILE 4 1HD1 ILE 4 -17.718 3.850 0.677 26 HD12 ILE 4 2HD1 ILE 4 -18.341 3.124 2.159 27 HD13 ILE 4 3HD1 ILE 4 -18.401 4.874 1.941 28 H CYS 5 H CYS 5 -17.397 0.810 -2.227 29 HA CYS 5 HA CYS 5 -19.300 -1.388 -2.677 30 HB2 CYS 5 1HB CYS 5 -17.663 -2.132 -4.444 31 HB3 CYS 5 2HB CYS 5 -18.473 -0.608 -4.785 32 HG CYS 5 HG CYS 5 -16.207 0.361 -5.530 33 H TRP 6 H TRP 6 -17.439 -0.514 -0.411 34 HA TRP 6 HA TRP 6 -16.491 -3.164 0.246 35 HB2 TRP 6 1HB TRP 6 -14.221 -2.293 0.853 36 HB3 TRP 6 2HB TRP 6 -14.540 -2.305 -0.872 37 HD1 TRP 6 HD1 TRP 6 -14.818 0.081 -2.086 38 HE1 TRP 6 HE1 TRP 6 -14.016 2.435 -1.423 39 HE3 TRP 6 HE3 TRP 6 -13.810 -0.768 2.853 40 HZ2 TRP 6 HZ2 TRP 6 -13.078 3.754 0.891 41 HZ3 TRP 6 HZ3 TRP 6 -12.960 1.093 4.217 42 HH2 TRP 6 HH2 TRP 6 -12.602 3.303 3.255 43 H GLY 7 H GLY 7 -16.308 -3.494 2.456 44 HA2 GLY 7 1HA GLY 7 -16.834 -1.187 4.199 45 HA3 GLY 7 2HA GLY 7 -17.863 -2.608 4.306 46 HA PRO 8 HA PRO 8 -14.988 -3.900 7.485 47 HB2 PRO 8 1HB PRO 8 -16.298 -6.524 7.120 48 HB3 PRO 8 2HB PRO 8 -16.135 -5.541 8.580 49 HG2 PRO 8 1HG PRO 8 -18.480 -5.778 7.320 50 HG3 PRO 8 2HG PRO 8 -17.985 -4.253 8.079 51 HD2 PRO 8 1HD PRO 8 -17.966 -5.024 5.188 52 HD3 PRO 8 2HD PRO 8 -18.403 -3.479 5.943 53 H CYS 9 H CYS 9 -15.586 -5.764 4.539 54 HA CYS 9 HA CYS 9 -12.807 -6.722 4.696 55 HB2 CYS 9 1HB CYS 9 -15.144 -8.253 3.540 56 HB3 CYS 9 2HB CYS 9 -13.489 -8.825 3.700 57 HG CYS 9 HG CYS 9 -13.844 -8.313 6.662 58 HA PRO 10 HA PRO 10 -13.292 -4.451 0.691 59 HB2 PRO 10 1HB PRO 10 -10.723 -3.278 1.374 60 HB3 PRO 10 2HB PRO 10 -12.263 -2.466 1.086 61 HG2 PRO 10 1HG PRO 10 -11.083 -2.572 3.527 62 HG3 PRO 10 2HG PRO 10 -12.839 -2.497 3.304 63 HD2 PRO 10 1HD PRO 10 -11.106 -4.869 3.896 64 HD3 PRO 10 2HD PRO 10 -12.692 -4.435 4.570 65 H THR 11 H THR 11 -12.684 -5.723 -0.981 66 HA THR 11 HA THR 11 -10.316 -7.383 -0.688 67 HB THR 11 HB THR 11 -12.263 -7.338 -2.999 68 HG1 THR 11 HG1 THR 11 -12.560 -9.395 -1.234 69 HG21 THR 11 1HG2 THR 11 -10.361 -9.458 -1.982 70 HG22 THR 11 2HG2 THR 11 -10.148 -8.492 -3.443 71 HG23 THR 11 3HG2 THR 11 -11.478 -9.646 -3.333 72 H ALA 12 H ALA 12 -11.552 -4.852 -2.832 73 HA ALA 12 HA ALA 12 -9.085 -4.886 -4.382 74 HB1 ALA 12 1HB ALA 12 -11.219 -4.727 -5.562 75 HB2 ALA 12 2HB ALA 12 -10.217 -3.304 -5.850 76 HB3 ALA 12 3HB ALA 12 -11.571 -3.217 -4.723 77 H PHE 13 H PHE 13 -10.617 -3.047 -1.892 78 HA PHE 13 HA PHE 13 -9.156 -0.638 -2.243 79 HB2 PHE 13 1HB PHE 13 -11.258 -0.648 -1.034 80 HB3 PHE 13 2HB PHE 13 -10.596 -1.741 0.169 81 HD1 PHE 13 HD1 PHE 13 -9.563 -0.918 2.075 82 HD2 PHE 13 HD2 PHE 13 -10.183 1.657 -1.255 83 HE1 PHE 13 HE1 PHE 13 -8.834 0.999 3.427 84 HE2 PHE 13 HE2 PHE 13 -9.457 3.580 0.091 85 HZ PHE 13 HZ PHE 13 -8.781 3.255 2.438 86 H ARG 14 H ARG 14 -8.489 -3.653 -0.656 87 HA ARG 14 HA ARG 14 -6.216 -2.556 0.775 88 HB2 ARG 14 1HB ARG 14 -7.320 -5.360 0.583 89 HB3 ARG 14 2HB ARG 14 -5.873 -4.946 1.490 90 HG2 ARG 14 1HG ARG 14 -7.210 -3.413 2.878 91 HG3 ARG 14 2HG ARG 14 -8.653 -3.901 1.992 92 HD2 ARG 14 1HD ARG 14 -8.332 -6.209 2.747 93 HD3 ARG 14 2HD ARG 14 -6.886 -5.721 3.632 94 HE ARG 14 HE ARG 14 -8.739 -4.097 4.678 95 HH11 ARG 14 1HH1 ARG 14 -8.750 -7.551 4.099 96 HH12 ARG 14 2HH1 ARG 14 -9.804 -7.896 5.433 97 HH21 ARG 14 1HH2 ARG 14 -10.149 -4.557 6.428 98 HH22 ARG 14 2HH2 ARG 14 -10.604 -6.200 6.746 99 H GLN 15 H GLN 15 -6.830 -3.709 -2.313 100 HA GLN 15 HA GLN 15 -4.079 -4.642 -2.680 101 HB2 GLN 15 1HB GLN 15 -6.514 -4.875 -4.451 102 HB3 GLN 15 2HB GLN 15 -4.906 -5.407 -4.917 103 HG2 GLN 15 1HG GLN 15 -4.870 -7.038 -3.163 104 HG3 GLN 15 2HG GLN 15 -6.395 -6.435 -2.517 105 HE21 GLN 15 1HE2 GLN 15 -5.661 -9.099 -3.458 106 HE22 GLN 15 2HE2 GLN 15 -6.794 -9.491 -4.703 107 H ILE 16 H ILE 16 -6.414 -2.663 -4.528 108 HA ILE 16 HA ILE 16 -4.144 -1.066 -5.468 109 HB ILE 16 HB ILE 16 -6.973 -1.199 -6.524 110 HG12 ILE 16 1HG1 ILE 16 -4.330 -2.246 -7.570 111 HG13 ILE 16 2HG1 ILE 16 -5.724 -3.200 -7.067 112 HG21 ILE 16 1HG2 ILE 16 -6.169 0.220 -8.355 113 HG22 ILE 16 2HG2 ILE 16 -4.601 0.359 -7.561 114 HG23 ILE 16 3HG2 ILE 16 -6.037 1.040 -6.798 115 HD11 ILE 16 1HD1 ILE 16 -7.005 -2.337 -8.945 116 HD12 ILE 16 2HD1 ILE 16 -5.517 -3.110 -9.490 117 HD13 ILE 16 3HD1 ILE 16 -5.629 -1.350 -9.440 118 H GLY 17 H GLY 17 -7.276 -0.796 -3.891 119 HA2 GLY 17 1HA GLY 17 -7.529 0.836 -2.111 120 HA3 GLY 17 2HA GLY 17 -6.503 1.922 -3.036 121 H ASN 18 H ASN 18 -9.307 -0.035 -3.946 122 HA ASN 18 HA ASN 18 -11.293 0.460 -4.896 123 HB2 ASN 18 1HB ASN 18 -11.581 1.879 -2.872 124 HB3 ASN 18 2HB ASN 18 -10.890 3.231 -3.754 125 HD21 ASN 18 1HD2 ASN 18 -13.611 1.045 -3.549 126 HD22 ASN 18 2HD2 ASN 18 -14.720 2.043 -4.418 127 H CYS 19 H CYS 19 -9.708 0.195 -6.748 128 HA CYS 19 HA CYS 19 -10.437 1.988 -8.803 129 HB2 CYS 19 1HB CYS 19 -8.620 3.324 -7.673 130 HB3 CYS 19 2HB CYS 19 -7.498 2.035 -8.082 131 HG CYS 19 HG CYS 19 -8.309 4.620 -9.853 132 H GLY 20 H GLY 20 -10.766 -0.668 -8.423 133 HA2 GLY 20 1HA GLY 20 -10.615 -2.355 -10.151 134 HA3 GLY 20 2HA GLY 20 -8.947 -1.862 -10.412 135 H ARG 21 H ARG 21 -9.277 -4.458 -10.101 136 HA ARG 21 HA ARG 21 -8.819 -5.074 -7.275 137 HB2 ARG 21 1HB ARG 21 -10.526 -6.412 -8.402 138 HB3 ARG 21 2HB ARG 21 -9.362 -6.898 -9.626 139 HG2 ARG 21 1HG ARG 21 -8.073 -8.098 -7.965 140 HG3 ARG 21 2HG ARG 21 -9.176 -7.560 -6.696 141 HD2 ARG 21 1HD ARG 21 -9.927 -9.272 -9.063 142 HD3 ARG 21 2HD ARG 21 -9.654 -9.861 -7.425 143 HE ARG 21 HE ARG 21 -11.591 -7.859 -7.301 144 HH11 ARG 21 1HH1 ARG 21 -11.222 -11.085 -8.620 145 HH12 ARG 21 2HH1 ARG 21 -12.915 -11.454 -8.515 146 HH21 ARG 21 1HH2 ARG 21 -13.816 -8.347 -7.161 147 HH22 ARG 21 2HH2 ARG 21 -14.385 -9.901 -7.683 148 H PHE 22 H PHE 22 -7.401 -5.613 -10.483 149 HA PHE 22 HA PHE 22 -4.824 -6.095 -9.157 150 HB2 PHE 22 1HB PHE 22 -4.251 -7.735 -10.849 151 HB3 PHE 22 2HB PHE 22 -5.761 -8.198 -10.080 152 HD1 PHE 22 HD1 PHE 22 -7.938 -7.545 -11.318 153 HD2 PHE 22 HD2 PHE 22 -4.096 -7.634 -13.146 154 HE1 PHE 22 HE1 PHE 22 -8.996 -7.714 -13.526 155 HE2 PHE 22 HE2 PHE 22 -5.152 -7.807 -15.358 156 HZ PHE 22 HZ PHE 22 -7.605 -7.844 -15.553 157 H ARG 23 H ARG 23 -2.970 -5.352 -10.261 158 HA ARG 23 HA ARG 23 -3.594 -3.112 -12.049 159 HB2 ARG 23 1HB ARG 23 -0.974 -3.645 -10.647 160 HB3 ARG 23 2HB ARG 23 -1.493 -2.150 -11.410 161 HG2 ARG 23 1HG ARG 23 -3.308 -2.018 -9.673 162 HG3 ARG 23 2HG ARG 23 -2.517 -3.368 -8.859 163 HD2 ARG 23 1HD ARG 23 -0.405 -1.955 -8.882 164 HD3 ARG 23 2HD ARG 23 -1.431 -0.607 -9.362 165 HE ARG 23 HE ARG 23 -1.815 -2.103 -6.848 166 HH11 ARG 23 1HH1 ARG 23 -1.729 0.901 -8.640 167 HH12 ARG 23 2HH1 ARG 23 -2.016 1.888 -7.247 168 HH21 ARG 23 1HH2 ARG 23 -2.188 -0.805 -5.005 169 HH22 ARG 23 2HH2 ARG 23 -2.276 0.918 -5.179 170 H VAL 24 H VAL 24 -3.317 -3.422 -14.116 171 HA VAL 24 HA VAL 24 -2.027 -5.658 -15.263 172 HB VAL 24 HB VAL 24 -2.750 -3.029 -16.573 173 HG11 VAL 24 1HG1 VAL 24 -1.196 -4.311 -17.925 174 HG12 VAL 24 2HG1 VAL 24 -2.800 -4.323 -18.659 175 HG13 VAL 24 3HG1 VAL 24 -2.220 -5.740 -17.782 176 HG21 VAL 24 1HG2 VAL 24 -4.341 -5.576 -16.323 177 HG22 VAL 24 2HG2 VAL 24 -4.809 -4.166 -17.270 178 HG23 VAL 24 3HG2 VAL 24 -4.685 -4.049 -15.515 179 H ARG 25 H ARG 25 -1.038 -2.362 -14.630 180 HA ARG 25 HA ARG 25 1.338 -2.330 -16.133 181 HB2 ARG 25 1HB ARG 25 0.619 -0.790 -13.630 182 HB3 ARG 25 2HB ARG 25 1.944 -0.400 -14.717 183 HG2 ARG 25 1HG ARG 25 -0.924 -0.499 -15.606 184 HG3 ARG 25 2HG ARG 25 -0.152 0.963 -14.989 185 HD2 ARG 25 1HD ARG 25 0.862 -0.635 -17.335 186 HD3 ARG 25 2HD ARG 25 -0.170 0.786 -17.474 187 HE ARG 25 HE ARG 25 2.127 1.384 -15.930 188 HH11 ARG 25 1HH1 ARG 25 1.077 0.815 -19.216 189 HH12 ARG 25 2HH1 ARG 25 2.327 1.785 -19.924 190 HH21 ARG 25 1HH2 ARG 25 3.774 2.687 -16.860 191 HH22 ARG 25 2HH2 ARG 25 3.860 2.851 -18.585 192 H CYS 26 H CYS 26 0.617 -3.490 -12.901 193 HA CYS 26 HA CYS 26 3.360 -3.712 -12.137 194 HB2 CYS 26 1HB CYS 26 0.889 -4.900 -10.873 195 HB3 CYS 26 2HB CYS 26 2.496 -4.901 -10.153 196 HG CYS 26 HG CYS 26 2.482 -2.490 -9.219 197 H CYS 27 H CYS 27 1.243 -5.649 -13.959 198 HA CYS 27 HA CYS 27 2.580 -8.137 -13.489 199 HB2 CYS 27 1HB CYS 27 0.219 -7.908 -14.354 200 HB3 CYS 27 2HB CYS 27 0.900 -7.364 -15.883 201 HG CYS 27 HG CYS 27 2.024 -10.323 -14.717 202 H ARG 28 H ARG 28 3.115 -5.348 -15.425 203 HA ARG 28 HA ARG 28 5.085 -6.745 -17.077 204 HB2 ARG 28 1HB ARG 28 3.430 -5.354 -18.256 205 HB3 ARG 28 2HB ARG 28 3.959 -3.948 -17.343 206 HG2 ARG 28 1HG ARG 28 4.923 -3.848 -19.521 207 HG3 ARG 28 2HG ARG 28 6.206 -4.194 -18.362 208 HD2 ARG 28 1HD ARG 28 6.030 -6.594 -18.949 209 HD3 ARG 28 2HD ARG 28 4.831 -6.179 -20.174 210 HE ARG 28 HE ARG 28 7.204 -4.673 -20.543 211 HH11 ARG 28 1HH1 ARG 28 5.882 -7.877 -21.016 212 HH12 ARG 28 2HH1 ARG 28 6.989 -8.281 -22.288 213 HH21 ARG 28 1HH2 ARG 28 8.659 -5.197 -22.214 214 HH22 ARG 28 2HH2 ARG 28 8.573 -6.756 -22.971 215 H ILE 29 H ILE 29 4.837 -3.706 -15.187 216 HA ILE 29 HA ILE 29 7.775 -3.767 -14.980 217 HB ILE 29 HB ILE 29 7.619 -1.267 -14.665 218 HG12 ILE 29 1HG1 ILE 29 4.812 -1.740 -15.707 219 HG13 ILE 29 2HG1 ILE 29 5.236 -1.120 -14.114 220 HG21 ILE 29 1HG2 ILE 29 6.762 -2.472 -17.293 221 HG22 ILE 29 2HG2 ILE 29 8.413 -2.206 -16.735 222 HG23 ILE 29 3HG2 ILE 29 7.371 -0.830 -17.092 223 HD11 ILE 29 1HD1 ILE 29 4.506 0.666 -15.572 224 HD12 ILE 29 2HD1 ILE 29 5.756 0.244 -16.744 225 HD13 ILE 29 3HD1 ILE 29 6.209 0.865 -15.158 226 H ARG 30 H ARG 30 4.827 -2.874 -13.211 227 HA ARG 30 HA ARG 30 4.346 -2.804 -10.982 228 HB2 ARG 30 1HB ARG 30 5.498 -5.024 -10.935 229 HB3 ARG 30 2HB ARG 30 6.997 -4.190 -10.554 230 HG2 ARG 30 1HG ARG 30 5.991 -3.352 -8.482 231 HG3 ARG 30 2HG ARG 30 4.503 -4.221 -8.869 232 HD2 ARG 30 1HD ARG 30 5.770 -6.337 -8.864 233 HD3 ARG 30 2HD ARG 30 7.222 -5.446 -8.411 234 HE ARG 30 HE ARG 30 4.931 -5.174 -6.637 235 HH11 ARG 30 1HH1 ARG 30 7.946 -6.808 -7.327 236 HH12 ARG 30 2HH1 ARG 30 8.201 -7.313 -5.690 237 HH21 ARG 30 1HH2 ARG 30 5.244 -5.860 -4.476 238 HH22 ARG 30 2HH2 ARG 30 6.656 -6.778 -4.064 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 -12.515 -16.285 -8.428 2 H2 ASN 1 2H ASN 1 -10.864 -16.119 -8.095 3 H3 ASN 1 3H ASN 1 -11.931 -14.852 -7.755 4 HA ASN 1 HA ASN 1 -11.989 -17.507 -6.462 5 HB2 ASN 1 1HB ASN 1 -10.995 -14.841 -5.427 6 HB3 ASN 1 2HB ASN 1 -11.200 -16.281 -4.441 7 HD21 ASN 1 1HD2 ASN 1 -9.043 -16.435 -3.893 8 HD22 ASN 1 2HD2 ASN 1 -7.819 -16.883 -5.031 9 H GLY 2 H GLY 2 -13.974 -17.957 -5.780 10 HA2 GLY 2 1HA GLY 2 -15.851 -15.715 -5.409 11 HA3 GLY 2 2HA GLY 2 -16.308 -17.374 -5.764 12 H ALA 3 H ALA 3 -14.198 -15.900 -3.300 13 HA ALA 3 HA ALA 3 -15.500 -17.601 -1.308 14 HB1 ALA 3 1HB ALA 3 -13.059 -17.691 -1.439 15 HB2 ALA 3 2HB ALA 3 -13.598 -17.076 0.123 16 HB3 ALA 3 3HB ALA 3 -12.977 -15.963 -1.095 17 H ILE 4 H ILE 4 -14.319 -14.234 -1.492 18 HA ILE 4 HA ILE 4 -16.680 -13.375 0.005 19 HB ILE 4 HB ILE 4 -15.167 -11.833 1.365 20 HG12 ILE 4 1HG1 ILE 4 -13.093 -13.880 0.534 21 HG13 ILE 4 2HG1 ILE 4 -13.111 -12.185 0.049 22 HG21 ILE 4 1HG2 ILE 4 -14.745 -13.567 3.068 23 HG22 ILE 4 2HG2 ILE 4 -15.103 -14.806 1.866 24 HG23 ILE 4 3HG2 ILE 4 -16.361 -13.677 2.370 25 HD11 ILE 4 1HD1 ILE 4 -12.797 -11.519 2.375 26 HD12 ILE 4 2HD1 ILE 4 -11.505 -12.588 1.826 27 HD13 ILE 4 3HD1 ILE 4 -12.790 -13.215 2.860 28 H CYS 5 H CYS 5 -17.552 -12.210 -1.634 29 HA CYS 5 HA CYS 5 -15.930 -10.291 -3.088 30 HB2 CYS 5 1HB CYS 5 -18.146 -9.744 -4.197 31 HB3 CYS 5 2HB CYS 5 -17.558 -11.387 -4.422 32 HG CYS 5 HG CYS 5 -19.331 -12.602 -2.769 33 H TRP 6 H TRP 6 -17.709 -10.386 -0.238 34 HA TRP 6 HA TRP 6 -17.691 -7.458 -0.086 35 HB2 TRP 6 1HB TRP 6 -19.799 -7.573 1.242 36 HB3 TRP 6 2HB TRP 6 -20.005 -8.097 -0.423 37 HD1 TRP 6 HD1 TRP 6 -20.581 -10.667 -0.842 38 HE1 TRP 6 HE1 TRP 6 -21.449 -12.522 0.719 39 HE3 TRP 6 HE3 TRP 6 -19.673 -8.422 3.653 40 HZ2 TRP 6 HZ2 TRP 6 -21.716 -12.963 3.498 41 HZ3 TRP 6 HZ3 TRP 6 -20.264 -9.625 5.712 42 HH2 TRP 6 HH2 TRP 6 -21.266 -11.843 5.635 43 H GLY 7 H GLY 7 -17.748 -6.684 2.216 44 HA2 GLY 7 1HA GLY 7 -17.373 -8.042 4.506 45 HA3 GLY 7 2HA GLY 7 -15.803 -8.198 3.731 46 HA PRO 8 HA PRO 8 -16.407 -4.031 6.169 47 HB2 PRO 8 1HB PRO 8 -14.401 -5.393 7.892 48 HB3 PRO 8 2HB PRO 8 -15.744 -4.337 8.347 49 HG2 PRO 8 1HG PRO 8 -15.877 -6.970 8.729 50 HG3 PRO 8 2HG PRO 8 -17.299 -6.041 8.228 51 HD2 PRO 8 1HD PRO 8 -15.559 -7.848 6.622 52 HD3 PRO 8 2HD PRO 8 -17.303 -7.568 6.512 53 H CYS 9 H CYS 9 -13.778 -6.171 5.284 54 HA CYS 9 HA CYS 9 -12.171 -3.817 4.564 55 HB2 CYS 9 1HB CYS 9 -11.194 -6.616 5.174 56 HB3 CYS 9 2HB CYS 9 -10.188 -5.217 4.812 57 HG CYS 9 HG CYS 9 -9.768 -5.101 7.387 58 HA PRO 10 HA PRO 10 -13.606 -5.304 0.532 59 HB2 PRO 10 1HB PRO 10 -12.009 -2.933 -0.269 60 HB3 PRO 10 2HB PRO 10 -13.658 -3.379 -0.714 61 HG2 PRO 10 1HG PRO 10 -13.226 -1.426 1.030 62 HG3 PRO 10 2HG PRO 10 -14.552 -2.581 1.276 63 HD2 PRO 10 1HD PRO 10 -11.869 -2.465 2.602 64 HD3 PRO 10 2HD PRO 10 -13.457 -2.835 3.304 65 H THR 11 H THR 11 -12.649 -6.712 -0.760 66 HA THR 11 HA THR 11 -9.902 -7.376 -0.445 67 HB THR 11 HB THR 11 -10.384 -8.968 -2.363 68 HG1 THR 11 HG1 THR 11 -12.888 -9.091 -2.512 69 HG21 THR 11 1HG2 THR 11 -11.860 -10.410 -1.021 70 HG22 THR 11 2HG2 THR 11 -12.235 -9.041 0.027 71 HG23 THR 11 3HG2 THR 11 -10.592 -9.679 -0.036 72 H ALA 12 H ALA 12 -11.758 -5.538 -2.763 73 HA ALA 12 HA ALA 12 -9.690 -5.277 -4.707 74 HB1 ALA 12 1HB ALA 12 -12.059 -4.919 -5.249 75 HB2 ALA 12 2HB ALA 12 -11.074 -3.519 -5.666 76 HB3 ALA 12 3HB ALA 12 -12.072 -3.493 -4.215 77 H PHE 13 H PHE 13 -10.738 -3.383 -1.927 78 HA PHE 13 HA PHE 13 -9.052 -1.162 -2.447 79 HB2 PHE 13 1HB PHE 13 -11.104 -1.103 -1.013 80 HB3 PHE 13 2HB PHE 13 -10.214 -1.995 0.214 81 HD1 PHE 13 HD1 PHE 13 -9.842 1.065 -1.878 82 HD2 PHE 13 HD2 PHE 13 -9.234 -0.792 1.901 83 HE1 PHE 13 HE1 PHE 13 -8.981 3.186 -0.979 84 HE2 PHE 13 HE2 PHE 13 -8.369 1.322 2.804 85 HZ PHE 13 HZ PHE 13 -8.242 3.319 1.366 86 H ARG 14 H ARG 14 -8.587 -4.231 -0.920 87 HA ARG 14 HA ARG 14 -6.213 -3.647 0.496 88 HB2 ARG 14 1HB ARG 14 -7.569 -5.718 0.792 89 HB3 ARG 14 2HB ARG 14 -7.025 -6.266 -0.787 90 HG2 ARG 14 1HG ARG 14 -4.705 -6.226 0.028 91 HG3 ARG 14 2HG ARG 14 -5.293 -5.764 1.623 92 HD2 ARG 14 1HD ARG 14 -6.610 -7.859 1.709 93 HD3 ARG 14 2HD ARG 14 -5.925 -8.324 0.150 94 HE ARG 14 HE ARG 14 -3.976 -7.719 2.199 95 HH11 ARG 14 1HH1 ARG 14 -5.938 -10.207 0.720 96 HH12 ARG 14 2HH1 ARG 14 -4.912 -11.506 1.240 97 HH21 ARG 14 1HH2 ARG 14 -2.633 -9.415 2.904 98 HH22 ARG 14 2HH2 ARG 14 -3.029 -11.054 2.494 99 H GLN 15 H GLN 15 -6.931 -4.272 -2.837 100 HA GLN 15 HA GLN 15 -4.144 -4.566 -3.586 101 HB2 GLN 15 1HB GLN 15 -6.617 -4.384 -5.318 102 HB3 GLN 15 2HB GLN 15 -5.007 -4.816 -5.866 103 HG2 GLN 15 1HG GLN 15 -5.068 -6.815 -4.450 104 HG3 GLN 15 2HG GLN 15 -6.700 -6.388 -3.937 105 HE21 GLN 15 1HE2 GLN 15 -7.616 -8.241 -4.756 106 HE22 GLN 15 2HE2 GLN 15 -7.777 -8.540 -6.450 107 H ILE 16 H ILE 16 -6.621 -2.154 -3.462 108 HA ILE 16 HA ILE 16 -5.289 -0.180 -5.027 109 HB ILE 16 HB ILE 16 -7.397 0.128 -2.878 110 HG12 ILE 16 1HG1 ILE 16 -8.170 -1.189 -4.809 111 HG13 ILE 16 2HG1 ILE 16 -8.977 0.375 -4.745 112 HG21 ILE 16 1HG2 ILE 16 -6.496 2.142 -4.933 113 HG22 ILE 16 2HG2 ILE 16 -6.123 2.196 -3.213 114 HG23 ILE 16 3HG2 ILE 16 -7.792 2.358 -3.758 115 HD11 ILE 16 1HD1 ILE 16 -6.695 -0.378 -6.559 116 HD12 ILE 16 2HD1 ILE 16 -7.456 1.209 -6.479 117 HD13 ILE 16 3HD1 ILE 16 -8.386 -0.188 -7.017 118 H GLY 17 H GLY 17 -5.220 -1.214 -1.707 119 HA2 GLY 17 1HA GLY 17 -3.461 -0.901 -0.206 120 HA3 GLY 17 2HA GLY 17 -2.798 0.333 -1.270 121 H ASN 18 H ASN 18 -2.615 2.078 -0.020 122 HA ASN 18 HA ASN 18 -5.017 2.952 1.447 123 HB2 ASN 18 1HB ASN 18 -2.099 3.589 1.918 124 HB3 ASN 18 2HB ASN 18 -3.418 4.392 2.752 125 HD21 ASN 18 1HD2 ASN 18 -5.019 1.917 2.885 126 HD22 ASN 18 2HD2 ASN 18 -4.283 0.964 4.118 127 H CYS 19 H CYS 19 -4.334 3.246 -1.399 128 HA CYS 19 HA CYS 19 -3.726 6.060 -1.743 129 HB2 CYS 19 1HB CYS 19 -4.503 4.126 -3.914 130 HB3 CYS 19 2HB CYS 19 -3.492 5.562 -4.038 131 HG CYS 19 HG CYS 19 -2.642 2.428 -3.351 132 H GLY 20 H GLY 20 -6.238 5.116 -0.454 133 HA2 GLY 20 1HA GLY 20 -8.355 5.617 -2.347 134 HA3 GLY 20 2HA GLY 20 -8.539 5.328 -0.623 135 H ARG 21 H ARG 21 -9.455 7.439 -2.689 136 HA ARG 21 HA ARG 21 -8.392 9.910 -1.740 137 HB2 ARG 21 1HB ARG 21 -9.365 9.632 -3.993 138 HB3 ARG 21 2HB ARG 21 -10.941 9.359 -3.271 139 HG2 ARG 21 1HG ARG 21 -10.932 11.619 -2.367 140 HG3 ARG 21 2HG ARG 21 -9.332 11.894 -3.064 141 HD2 ARG 21 1HD ARG 21 -10.253 11.512 -5.304 142 HD3 ARG 21 2HD ARG 21 -11.850 11.262 -4.601 143 HE ARG 21 HE ARG 21 -10.843 13.764 -3.790 144 HH11 ARG 21 1HH1 ARG 21 -12.110 12.122 -6.602 145 HH12 ARG 21 2HH1 ARG 21 -12.690 13.575 -7.351 146 HH21 ARG 21 1HH2 ARG 21 -11.603 15.680 -4.762 147 HH22 ARG 21 2HH2 ARG 21 -12.390 15.608 -6.305 148 H PHE 22 H PHE 22 -11.067 7.860 -0.901 149 HA PHE 22 HA PHE 22 -11.520 9.531 1.461 150 HB2 PHE 22 1HB PHE 22 -13.353 9.946 -0.154 151 HB3 PHE 22 2HB PHE 22 -13.710 8.223 -0.167 152 HD1 PHE 22 HD1 PHE 22 -13.557 11.191 2.044 153 HD2 PHE 22 HD2 PHE 22 -15.137 7.290 1.419 154 HE1 PHE 22 HE1 PHE 22 -15.044 11.485 3.979 155 HE2 PHE 22 HE2 PHE 22 -16.626 7.578 3.350 156 HZ PHE 22 HZ PHE 22 -16.582 9.678 4.635 157 H ARG 23 H ARG 23 -11.790 8.403 3.339 158 HA ARG 23 HA ARG 23 -11.327 5.517 3.122 159 HB2 ARG 23 1HB ARG 23 -11.011 7.293 5.551 160 HB3 ARG 23 2HB ARG 23 -10.510 5.614 5.406 161 HG2 ARG 23 1HG ARG 23 -8.883 6.263 3.679 162 HG3 ARG 23 2HG ARG 23 -9.364 7.947 3.878 163 HD2 ARG 23 1HD ARG 23 -7.391 7.654 5.154 164 HD3 ARG 23 2HD ARG 23 -8.723 7.722 6.305 165 HE ARG 23 HE ARG 23 -7.819 5.084 5.440 166 HH11 ARG 23 1HH1 ARG 23 -7.882 7.552 7.920 167 HH12 ARG 23 2HH1 ARG 23 -7.321 6.487 9.167 168 HH21 ARG 23 1HH2 ARG 23 -7.076 3.682 7.093 169 HH22 ARG 23 2HH2 ARG 23 -6.876 4.295 8.704 170 H VAL 24 H VAL 24 -12.909 4.174 3.542 171 HA VAL 24 HA VAL 24 -15.512 5.145 4.158 172 HB VAL 24 HB VAL 24 -14.590 2.269 4.096 173 HG11 VAL 24 1HG1 VAL 24 -16.797 2.577 5.087 174 HG12 VAL 24 2HG1 VAL 24 -16.916 1.771 3.523 175 HG13 VAL 24 3HG1 VAL 24 -17.317 3.483 3.666 176 HG21 VAL 24 1HG2 VAL 24 -15.321 2.273 1.738 177 HG22 VAL 24 2HG2 VAL 24 -13.946 3.335 2.026 178 HG23 VAL 24 3HG2 VAL 24 -15.560 4.016 1.839 179 H ARG 25 H ARG 25 -12.891 4.062 6.043 180 HA ARG 25 HA ARG 25 -14.057 2.852 8.235 181 HB2 ARG 25 1HB ARG 25 -11.692 4.730 8.174 182 HB3 ARG 25 2HB ARG 25 -12.116 3.712 9.539 183 HG2 ARG 25 1HG ARG 25 -11.243 2.806 6.806 184 HG3 ARG 25 2HG ARG 25 -10.336 2.693 8.312 185 HD2 ARG 25 1HD ARG 25 -12.119 1.204 9.205 186 HD3 ARG 25 2HD ARG 25 -12.885 1.240 7.619 187 HE ARG 25 HE ARG 25 -10.108 0.321 7.832 188 HH11 ARG 25 1HH1 ARG 25 -13.480 -0.359 7.194 189 HH12 ARG 25 2HH1 ARG 25 -13.176 -1.931 6.527 190 HH21 ARG 25 1HH2 ARG 25 -9.692 -1.765 6.970 191 HH22 ARG 25 2HH2 ARG 25 -11.019 -2.736 6.420 192 H CYS 26 H CYS 26 -13.524 6.345 7.728 193 HA CYS 26 HA CYS 26 -14.617 7.032 10.275 194 HB2 CYS 26 1HB CYS 26 -14.497 9.364 9.447 195 HB3 CYS 26 2HB CYS 26 -12.983 8.491 9.235 196 HG CYS 26 HG CYS 26 -12.756 9.273 6.807 197 H CYS 27 H CYS 27 -15.974 6.275 7.251 198 HA CYS 27 HA CYS 27 -18.473 7.677 7.833 199 HB2 CYS 27 1HB CYS 27 -17.425 7.746 5.533 200 HB3 CYS 27 2HB CYS 27 -17.780 6.029 5.391 201 HG CYS 27 HG CYS 27 -20.344 8.131 6.098 202 H ARG 28 H ARG 28 -17.100 4.875 8.726 203 HA ARG 28 HA ARG 28 -19.383 3.138 8.305 204 HB2 ARG 28 1HB ARG 28 -16.831 2.495 8.355 205 HB3 ARG 28 2HB ARG 28 -17.069 2.457 10.093 206 HG2 ARG 28 1HG ARG 28 -18.630 0.815 8.106 207 HG3 ARG 28 2HG ARG 28 -17.244 0.243 9.027 208 HD2 ARG 28 1HD ARG 28 -18.511 0.736 11.117 209 HD3 ARG 28 2HD ARG 28 -19.910 1.142 10.122 210 HE ARG 28 HE ARG 28 -19.019 -1.410 9.393 211 HH11 ARG 28 1HH1 ARG 28 -20.568 0.200 12.091 212 HH12 ARG 28 2HH1 ARG 28 -21.316 -1.245 12.687 213 HH21 ARG 28 1HH2 ARG 28 -19.998 -3.310 10.178 214 HH22 ARG 28 2HH2 ARG 28 -20.995 -3.246 11.594 215 H ILE 29 H ILE 29 -17.546 4.126 11.208 216 HA ILE 29 HA ILE 29 -20.053 4.505 12.619 217 HB ILE 29 HB ILE 29 -19.698 2.153 12.961 218 HG12 ILE 29 1HG1 ILE 29 -18.899 3.647 15.468 219 HG13 ILE 29 2HG1 ILE 29 -20.546 3.480 14.868 220 HG21 ILE 29 1HG2 ILE 29 -16.952 2.856 13.977 221 HG22 ILE 29 2HG2 ILE 29 -17.338 1.983 12.494 222 HG23 ILE 29 3HG2 ILE 29 -17.694 1.259 14.063 223 HD11 ILE 29 1HD1 ILE 29 -20.091 1.919 16.671 224 HD12 ILE 29 2HD1 ILE 29 -18.762 1.223 15.744 225 HD13 ILE 29 3HD1 ILE 29 -20.420 1.070 15.160 226 H ARG 30 H ARG 30 -19.329 6.667 12.570 227 HA ARG 30 HA ARG 30 -18.202 7.412 15.060 228 HB2 ARG 30 1HB ARG 30 -16.071 7.065 13.873 229 HB3 ARG 30 2HB ARG 30 -16.594 8.172 12.609 230 HG2 ARG 30 1HG ARG 30 -16.738 9.974 14.278 231 HG3 ARG 30 2HG ARG 30 -16.127 8.862 15.500 232 HD2 ARG 30 1HD ARG 30 -14.035 8.645 14.315 233 HD3 ARG 30 2HD ARG 30 -14.649 9.625 12.983 234 HE ARG 30 HE ARG 30 -14.868 11.126 15.334 235 HH11 ARG 30 1HH1 ARG 30 -12.360 9.797 13.301 236 HH12 ARG 30 2HH1 ARG 30 -11.210 11.035 13.681 237 HH21 ARG 30 1HH2 ARG 30 -13.385 12.775 15.820 238 HH22 ARG 30 2HH2 ARG 30 -11.798 12.743 15.120 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -19.921 3.153 -4.687 2 H2 ASN 1 2H ASN 1 -20.125 4.097 -6.074 3 H3 ASN 1 3H ASN 1 -20.050 2.413 -6.202 4 HA ASN 1 HA ASN 1 -22.311 3.170 -6.429 5 HB2 ASN 1 1HB ASN 1 -23.337 1.706 -4.811 6 HB3 ASN 1 2HB ASN 1 -21.813 0.983 -5.307 7 HD21 ASN 1 1HD2 ASN 1 -20.144 0.798 -3.816 8 HD22 ASN 1 2HD2 ASN 1 -20.365 1.110 -2.129 9 H GLY 2 H GLY 2 -20.504 4.961 -4.319 10 HA2 GLY 2 1HA GLY 2 -21.900 7.124 -3.903 11 HA3 GLY 2 2HA GLY 2 -22.795 6.039 -2.846 12 H ALA 3 H ALA 3 -22.263 7.043 -0.925 13 HA ALA 3 HA ALA 3 -19.575 7.784 -0.298 14 HB1 ALA 3 1HB ALA 3 -20.447 8.349 1.900 15 HB2 ALA 3 2HB ALA 3 -21.962 7.532 1.525 16 HB3 ALA 3 3HB ALA 3 -21.500 8.982 0.634 17 H ILE 4 H ILE 4 -21.652 5.033 0.445 18 HA ILE 4 HA ILE 4 -19.782 3.916 2.341 19 HB ILE 4 HB ILE 4 -22.149 2.523 1.079 20 HG12 ILE 4 1HG1 ILE 4 -22.070 4.189 3.613 21 HG13 ILE 4 2HG1 ILE 4 -22.843 4.670 2.104 22 HG21 ILE 4 1HG2 ILE 4 -20.574 1.061 2.239 23 HG22 ILE 4 2HG2 ILE 4 -22.098 1.161 3.117 24 HG23 ILE 4 3HG2 ILE 4 -20.694 2.062 3.686 25 HD11 ILE 4 1HD1 ILE 4 -24.469 3.877 3.718 26 HD12 ILE 4 2HD1 ILE 4 -23.630 2.329 3.825 27 HD13 ILE 4 3HD1 ILE 4 -24.406 2.810 2.317 28 H CYS 5 H CYS 5 -17.889 3.630 1.199 29 HA CYS 5 HA CYS 5 -17.987 1.848 -1.138 30 HB2 CYS 5 1HB CYS 5 -16.988 4.161 -1.367 31 HB3 CYS 5 2HB CYS 5 -15.701 3.633 -0.289 32 HG CYS 5 HG CYS 5 -15.535 1.323 -2.349 33 H TRP 6 H TRP 6 -17.081 1.988 2.125 34 HA TRP 6 HA TRP 6 -15.311 -0.337 1.787 35 HB2 TRP 6 1HB TRP 6 -15.309 1.779 3.945 36 HB3 TRP 6 2HB TRP 6 -14.340 0.316 4.005 37 HD1 TRP 6 HD1 TRP 6 -12.203 0.190 2.439 38 HE1 TRP 6 HE1 TRP 6 -10.894 1.981 1.131 39 HE3 TRP 6 HE3 TRP 6 -15.624 3.977 2.610 40 HZ2 TRP 6 HZ2 TRP 6 -11.269 4.647 0.285 41 HZ3 TRP 6 HZ3 TRP 6 -15.072 6.116 1.530 42 HH2 TRP 6 HH2 TRP 6 -12.940 6.441 0.393 43 H GLY 7 H GLY 7 -16.299 -2.162 2.311 44 HA2 GLY 7 1HA GLY 7 -18.513 -2.123 4.210 45 HA3 GLY 7 2HA GLY 7 -18.048 -3.469 3.181 46 HA PRO 8 HA PRO 8 -16.761 -4.603 7.460 47 HB2 PRO 8 1HB PRO 8 -17.110 -7.313 6.350 48 HB3 PRO 8 2HB PRO 8 -17.797 -6.601 7.812 49 HG2 PRO 8 1HG PRO 8 -19.303 -7.076 5.656 50 HG3 PRO 8 2HG PRO 8 -19.569 -5.654 6.680 51 HD2 PRO 8 1HD PRO 8 -18.188 -5.848 4.031 52 HD3 PRO 8 2HD PRO 8 -19.306 -4.607 4.630 53 H CYS 9 H CYS 9 -15.697 -5.799 4.341 54 HA CYS 9 HA CYS 9 -12.965 -5.951 5.318 55 HB2 CYS 9 1HB CYS 9 -13.898 -8.203 5.743 56 HB3 CYS 9 2HB CYS 9 -14.338 -8.332 4.044 57 HG CYS 9 HG CYS 9 -11.928 -9.784 5.020 58 HA PRO 10 HA PRO 10 -13.205 -4.118 1.106 59 HB2 PRO 10 1HB PRO 10 -10.697 -2.882 2.040 60 HB3 PRO 10 2HB PRO 10 -12.136 -2.116 1.364 61 HG2 PRO 10 1HG PRO 10 -11.519 -1.894 3.964 62 HG3 PRO 10 2HG PRO 10 -13.199 -2.003 3.408 63 HD2 PRO 10 1HD PRO 10 -11.468 -4.120 4.627 64 HD3 PRO 10 2HD PRO 10 -13.189 -3.778 4.898 65 H THR 11 H THR 11 -12.513 -5.448 -0.432 66 HA THR 11 HA THR 11 -10.045 -6.963 0.022 67 HB THR 11 HB THR 11 -12.185 -7.452 -2.055 68 HG1 THR 11 HG1 THR 11 -12.637 -7.606 0.412 69 HG21 THR 11 1HG2 THR 11 -10.021 -9.248 -0.949 70 HG22 THR 11 2HG2 THR 11 -10.014 -8.492 -2.542 71 HG23 THR 11 3HG2 THR 11 -11.232 -9.705 -2.146 72 H ALA 12 H ALA 12 -11.661 -4.911 -2.360 73 HA ALA 12 HA ALA 12 -9.598 -5.155 -4.317 74 HB1 ALA 12 1HB ALA 12 -11.766 -3.075 -4.102 75 HB2 ALA 12 2HB ALA 12 -11.927 -4.636 -4.904 76 HB3 ALA 12 3HB ALA 12 -10.799 -3.433 -5.531 77 H PHE 13 H PHE 13 -10.291 -2.923 -1.711 78 HA PHE 13 HA PHE 13 -8.444 -0.922 -2.500 79 HB2 PHE 13 1HB PHE 13 -9.778 -1.548 0.118 80 HB3 PHE 13 2HB PHE 13 -8.616 -0.239 -0.045 81 HD1 PHE 13 HD1 PHE 13 -12.013 -1.231 -0.476 82 HD2 PHE 13 HD2 PHE 13 -9.078 1.558 -1.768 83 HE1 PHE 13 HE1 PHE 13 -13.789 0.246 -1.304 84 HE2 PHE 13 HE2 PHE 13 -10.848 3.045 -2.594 85 HZ PHE 13 HZ PHE 13 -13.208 2.392 -2.365 86 H ARG 14 H ARG 14 -8.038 -3.978 -0.971 87 HA ARG 14 HA ARG 14 -5.472 -3.354 0.173 88 HB2 ARG 14 1HB ARG 14 -6.813 -6.015 -0.334 89 HB3 ARG 14 2HB ARG 14 -5.279 -5.817 0.498 90 HG2 ARG 14 1HG ARG 14 -6.442 -4.423 2.191 91 HG3 ARG 14 2HG ARG 14 -7.966 -4.803 1.392 92 HD2 ARG 14 1HD ARG 14 -6.068 -6.751 2.704 93 HD3 ARG 14 2HD ARG 14 -7.670 -6.281 3.273 94 HE ARG 14 HE ARG 14 -7.289 -7.695 0.710 95 HH11 ARG 14 1HH1 ARG 14 -8.785 -7.434 3.860 96 HH12 ARG 14 2HH1 ARG 14 -9.909 -8.721 3.576 97 HH21 ARG 14 1HH2 ARG 14 -8.722 -9.412 0.343 98 HH22 ARG 14 2HH2 ARG 14 -9.864 -9.862 1.570 99 H GLN 15 H GLN 15 -6.638 -4.030 -2.907 100 HA GLN 15 HA GLN 15 -4.047 -4.951 -3.897 101 HB2 GLN 15 1HB GLN 15 -6.095 -6.077 -4.701 102 HB3 GLN 15 2HB GLN 15 -6.675 -4.550 -5.336 103 HG2 GLN 15 1HG GLN 15 -5.810 -5.836 -7.138 104 HG3 GLN 15 2HG GLN 15 -4.722 -4.483 -6.848 105 HE21 GLN 15 1HE2 GLN 15 -4.808 -7.313 -4.806 106 HE22 GLN 15 2HE2 GLN 15 -3.270 -7.938 -5.278 107 H ILE 16 H ILE 16 -6.259 -2.223 -4.015 108 HA ILE 16 HA ILE 16 -4.763 -0.738 -5.946 109 HB ILE 16 HB ILE 16 -6.853 0.216 -3.979 110 HG12 ILE 16 1HG1 ILE 16 -7.689 -1.463 -5.605 111 HG13 ILE 16 2HG1 ILE 16 -8.413 0.124 -5.854 112 HG21 ILE 16 1HG2 ILE 16 -7.045 2.184 -5.456 113 HG22 ILE 16 2HG2 ILE 16 -5.674 1.593 -6.393 114 HG23 ILE 16 3HG2 ILE 16 -5.454 2.057 -4.706 115 HD11 ILE 16 1HD1 ILE 16 -6.860 0.517 -7.713 116 HD12 ILE 16 2HD1 ILE 16 -7.874 -0.904 -7.968 117 HD13 ILE 16 3HD1 ILE 16 -6.191 -1.098 -7.477 118 H GLY 17 H GLY 17 -5.126 -0.559 -2.415 119 HA2 GLY 17 1HA GLY 17 -3.208 1.588 -2.207 120 HA3 GLY 17 2HA GLY 17 -4.022 0.778 -0.879 121 H ASN 18 H ASN 18 -1.783 1.064 -0.004 122 HA ASN 18 HA ASN 18 0.008 -1.093 -0.904 123 HB2 ASN 18 1HB ASN 18 0.937 1.205 -1.056 124 HB3 ASN 18 2HB ASN 18 0.679 1.406 0.670 125 HD21 ASN 18 1HD2 ASN 18 2.552 -0.227 -1.773 126 HD22 ASN 18 2HD2 ASN 18 3.833 -0.729 -0.727 127 H CYS 19 H CYS 19 0.891 -2.500 0.632 128 HA CYS 19 HA CYS 19 -0.894 -3.029 2.816 129 HB2 CYS 19 1HB CYS 19 0.528 -5.037 3.158 130 HB3 CYS 19 2HB CYS 19 -0.071 -4.880 1.510 131 HG CYS 19 HG CYS 19 2.536 -5.886 1.438 132 H GLY 20 H GLY 20 1.802 -1.098 2.540 133 HA2 GLY 20 1HA GLY 20 2.975 -1.604 5.119 134 HA3 GLY 20 2HA GLY 20 3.348 -0.263 4.043 135 H ARG 21 H ARG 21 0.457 -1.381 5.778 136 HA ARG 21 HA ARG 21 -0.169 1.364 6.511 137 HB2 ARG 21 1HB ARG 21 -1.653 -1.184 7.182 138 HB3 ARG 21 2HB ARG 21 -2.258 0.458 7.366 139 HG2 ARG 21 1HG ARG 21 -2.045 0.735 4.900 140 HG3 ARG 21 2HG ARG 21 -1.639 -0.980 4.798 141 HD2 ARG 21 1HD ARG 21 -3.970 -0.725 4.326 142 HD3 ARG 21 2HD ARG 21 -3.803 -1.494 5.903 143 HE ARG 21 HE ARG 21 -4.018 1.121 6.536 144 HH11 ARG 21 1HH1 ARG 21 -5.915 -1.012 4.521 145 HH12 ARG 21 2HH1 ARG 21 -7.403 -0.157 4.784 146 HH21 ARG 21 1HH2 ARG 21 -5.984 2.258 6.892 147 HH22 ARG 21 2HH2 ARG 21 -7.440 1.698 6.133 148 H PHE 22 H PHE 22 1.265 -1.441 7.798 149 HA PHE 22 HA PHE 22 1.265 -0.415 10.527 150 HB2 PHE 22 1HB PHE 22 2.385 -2.544 11.076 151 HB3 PHE 22 2HB PHE 22 0.881 -2.828 10.212 152 HD1 PHE 22 HD1 PHE 22 0.932 -3.539 7.849 153 HD2 PHE 22 HD2 PHE 22 4.481 -3.181 10.169 154 HE1 PHE 22 HE1 PHE 22 2.146 -4.889 6.198 155 HE2 PHE 22 HE2 PHE 22 5.697 -4.539 8.521 156 HZ PHE 22 HZ PHE 22 4.531 -5.394 6.530 157 H ARG 23 H ARG 23 3.458 -0.410 11.627 158 HA ARG 23 HA ARG 23 5.399 0.798 9.808 159 HB2 ARG 23 1HB ARG 23 5.231 0.783 12.822 160 HB3 ARG 23 2HB ARG 23 6.572 1.476 11.924 161 HG2 ARG 23 1HG ARG 23 4.802 2.909 10.753 162 HG3 ARG 23 2HG ARG 23 3.729 2.409 12.063 163 HD2 ARG 23 1HD ARG 23 4.789 4.544 12.577 164 HD3 ARG 23 2HD ARG 23 5.323 3.291 13.701 165 HE ARG 23 HE ARG 23 7.100 3.511 11.486 166 HH11 ARG 23 1HH1 ARG 23 6.211 5.051 14.496 167 HH12 ARG 23 2HH1 ARG 23 7.764 5.791 14.722 168 HH21 ARG 23 1HH2 ARG 23 9.161 4.452 11.796 169 HH22 ARG 23 2HH2 ARG 23 9.449 5.440 13.193 170 H VAL 24 H VAL 24 7.207 -0.168 9.241 171 HA VAL 24 HA VAL 24 7.569 -2.917 9.678 172 HB VAL 24 HB VAL 24 8.379 -1.641 7.684 173 HG11 VAL 24 1HG1 VAL 24 9.382 0.258 8.812 174 HG12 VAL 24 2HG1 VAL 24 10.569 -0.553 7.793 175 HG13 VAL 24 3HG1 VAL 24 10.596 -0.792 9.539 176 HG21 VAL 24 1HG2 VAL 24 10.430 -3.344 9.096 177 HG22 VAL 24 2HG2 VAL 24 10.421 -2.969 7.373 178 HG23 VAL 24 3HG2 VAL 24 9.114 -3.923 8.073 179 H ARG 25 H ARG 25 8.546 -0.198 11.525 180 HA ARG 25 HA ARG 25 10.778 -1.182 12.874 181 HB2 ARG 25 1HB ARG 25 9.886 1.144 13.040 182 HB3 ARG 25 2HB ARG 25 8.562 0.531 14.023 183 HG2 ARG 25 1HG ARG 25 10.108 -0.169 15.740 184 HG3 ARG 25 2HG ARG 25 11.477 0.330 14.745 185 HD2 ARG 25 1HD ARG 25 11.063 2.033 16.390 186 HD3 ARG 25 2HD ARG 25 10.615 2.655 14.808 187 HE ARG 25 HE ARG 25 8.321 1.575 15.975 188 HH11 ARG 25 1HH1 ARG 25 10.546 4.231 16.471 189 HH12 ARG 25 2HH1 ARG 25 9.371 5.240 17.255 190 HH21 ARG 25 1HH2 ARG 25 6.769 2.897 16.995 191 HH22 ARG 25 2HH2 ARG 25 7.216 4.475 17.561 192 H CYS 26 H CYS 26 7.347 -1.807 13.330 193 HA CYS 26 HA CYS 26 7.567 -3.172 15.806 194 HB2 CYS 26 1HB CYS 26 5.431 -3.475 13.681 195 HB3 CYS 26 2HB CYS 26 5.295 -3.946 15.372 196 HG CYS 26 HG CYS 26 4.463 -1.688 16.260 197 H CYS 27 H CYS 27 7.946 -4.143 12.481 198 HA CYS 27 HA CYS 27 7.982 -6.967 13.138 199 HB2 CYS 27 1HB CYS 27 8.652 -5.606 10.520 200 HB3 CYS 27 2HB CYS 27 8.320 -7.319 10.761 201 HG CYS 27 HG CYS 27 5.754 -7.203 10.583 202 H ARG 28 H ARG 28 10.203 -4.357 12.602 203 HA ARG 28 HA ARG 28 12.513 -5.926 12.075 204 HB2 ARG 28 1HB ARG 28 12.227 -3.517 11.444 205 HB3 ARG 28 2HB ARG 28 12.374 -3.100 13.145 206 HG2 ARG 28 1HG ARG 28 14.636 -4.050 13.170 207 HG3 ARG 28 2HG ARG 28 14.486 -4.414 11.448 208 HD2 ARG 28 1HD ARG 28 15.708 -2.343 11.746 209 HD3 ARG 28 2HD ARG 28 14.146 -2.016 10.998 210 HE ARG 28 HE ARG 28 14.507 -1.679 13.896 211 HH11 ARG 28 1HH1 ARG 28 13.707 -0.345 10.755 212 HH12 ARG 28 2HH1 ARG 28 13.189 1.179 11.401 213 HH21 ARG 28 1HH2 ARG 28 13.824 0.330 14.739 214 HH22 ARG 28 2HH2 ARG 28 13.269 1.568 13.654 215 H ILE 29 H ILE 29 10.988 -4.743 14.999 216 HA ILE 29 HA ILE 29 13.209 -5.413 16.697 217 HB ILE 29 HB ILE 29 11.653 -5.046 18.578 218 HG12 ILE 29 1HG1 ILE 29 9.603 -4.498 16.418 219 HG13 ILE 29 2HG1 ILE 29 9.608 -5.899 17.486 220 HG21 ILE 29 1HG2 ILE 29 12.868 -3.160 17.672 221 HG22 ILE 29 2HG2 ILE 29 11.255 -2.648 18.166 222 HG23 ILE 29 3HG2 ILE 29 11.615 -2.901 16.459 223 HD11 ILE 29 1HD1 ILE 29 9.291 -3.030 18.338 224 HD12 ILE 29 2HD1 ILE 29 9.293 -4.431 19.409 225 HD13 ILE 29 3HD1 ILE 29 8.007 -4.231 18.219 226 H ARG 30 H ARG 30 10.950 -7.212 15.076 227 HA ARG 30 HA ARG 30 10.361 -9.399 15.048 228 HB2 ARG 30 1HB ARG 30 12.663 -9.828 16.958 229 HB3 ARG 30 2HB ARG 30 11.932 -11.020 15.895 230 HG2 ARG 30 1HG ARG 30 13.521 -8.608 15.054 231 HG3 ARG 30 2HG ARG 30 14.052 -10.290 15.011 232 HD2 ARG 30 1HD ARG 30 12.380 -10.815 13.344 233 HD3 ARG 30 2HD ARG 30 11.713 -9.185 13.453 234 HE ARG 30 HE ARG 30 14.505 -9.272 12.736 235 HH11 ARG 30 1HH1 ARG 30 11.229 -9.372 11.520 236 HH12 ARG 30 2HH1 ARG 30 11.652 -8.758 9.953 237 HH21 ARG 30 1HH2 ARG 30 15.073 -8.459 10.677 238 HH22 ARG 30 2HH2 ARG 30 13.842 -8.254 9.471 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -17.376 -11.555 1.244 2 H2 ASN 1 2H ASN 1 -17.346 -10.101 0.376 3 H3 ASN 1 3H ASN 1 -17.146 -10.089 2.056 4 HA ASN 1 HA ASN 1 -15.057 -9.765 0.835 5 HB2 ASN 1 1HB ASN 1 -15.295 -12.297 2.477 6 HB3 ASN 1 2HB ASN 1 -13.781 -11.482 2.106 7 HD21 ASN 1 1HD2 ASN 1 -13.344 -11.140 4.291 8 HD22 ASN 1 2HD2 ASN 1 -14.201 -9.962 5.220 9 H GLY 2 H GLY 2 -13.826 -10.302 -0.883 10 HA2 GLY 2 1HA GLY 2 -12.959 -11.644 -2.588 11 HA3 GLY 2 2HA GLY 2 -13.995 -12.958 -2.053 12 H ALA 3 H ALA 3 -16.171 -13.038 -2.770 13 HA ALA 3 HA ALA 3 -16.593 -12.071 -5.408 14 HB1 ALA 3 1HB ALA 3 -18.586 -13.235 -3.462 15 HB2 ALA 3 2HB ALA 3 -17.609 -14.150 -4.608 16 HB3 ALA 3 3HB ALA 3 -18.836 -13.026 -5.194 17 H ILE 4 H ILE 4 -18.042 -11.228 -2.283 18 HA ILE 4 HA ILE 4 -18.967 -8.685 -3.407 19 HB ILE 4 HB ILE 4 -19.446 -9.876 -0.660 20 HG12 ILE 4 1HG1 ILE 4 -20.553 -11.157 -2.447 21 HG13 ILE 4 2HG1 ILE 4 -21.733 -10.309 -1.447 22 HG21 ILE 4 1HG2 ILE 4 -19.513 -7.434 -0.646 23 HG22 ILE 4 2HG2 ILE 4 -21.117 -8.116 -0.382 24 HG23 ILE 4 3HG2 ILE 4 -20.690 -7.452 -1.959 25 HD11 ILE 4 1HD1 ILE 4 -21.938 -8.585 -3.179 26 HD12 ILE 4 2HD1 ILE 4 -22.328 -10.192 -3.792 27 HD13 ILE 4 3HD1 ILE 4 -20.771 -9.458 -4.173 28 H CYS 5 H CYS 5 -17.361 -7.230 -3.457 29 HA CYS 5 HA CYS 5 -15.130 -7.385 -1.664 30 HB2 CYS 5 1HB CYS 5 -14.836 -6.700 -4.000 31 HB3 CYS 5 2HB CYS 5 -15.842 -5.282 -3.718 32 HG CYS 5 HG CYS 5 -13.946 -3.737 -2.953 33 H TRP 6 H TRP 6 -17.991 -5.382 -1.942 34 HA TRP 6 HA TRP 6 -17.005 -3.433 -0.069 35 HB2 TRP 6 1HB TRP 6 -19.758 -3.740 -1.283 36 HB3 TRP 6 2HB TRP 6 -19.181 -2.343 -0.386 37 HD1 TRP 6 HD1 TRP 6 -19.377 -3.701 -3.838 38 HE1 TRP 6 HE1 TRP 6 -18.031 -2.223 -5.458 39 HE3 TRP 6 HE3 TRP 6 -16.847 -0.842 -0.435 40 HZ2 TRP 6 HZ2 TRP 6 -16.151 -0.124 -5.312 41 HZ3 TRP 6 HZ3 TRP 6 -15.295 0.871 -1.261 42 HH2 TRP 6 HH2 TRP 6 -14.955 1.224 -3.647 43 H GLY 7 H GLY 7 -17.166 -3.542 2.053 44 HA2 GLY 7 1HA GLY 7 -19.348 -4.402 3.539 45 HA3 GLY 7 2HA GLY 7 -18.289 -5.792 3.349 46 HA PRO 8 HA PRO 8 -16.651 -3.839 7.130 47 HB2 PRO 8 1HB PRO 8 -15.396 -6.492 7.411 48 HB3 PRO 8 2HB PRO 8 -16.428 -5.614 8.545 49 HG2 PRO 8 1HG PRO 8 -17.308 -7.779 7.234 50 HG3 PRO 8 2HG PRO 8 -18.374 -6.409 7.596 51 HD2 PRO 8 1HD PRO 8 -17.016 -7.127 5.024 52 HD3 PRO 8 2HD PRO 8 -18.665 -6.525 5.300 53 H CYS 9 H CYS 9 -14.987 -5.882 4.792 54 HA CYS 9 HA CYS 9 -12.726 -4.049 4.802 55 HB2 CYS 9 1HB CYS 9 -11.144 -6.023 4.835 56 HB3 CYS 9 2HB CYS 9 -11.953 -5.689 6.363 57 HG CYS 9 HG CYS 9 -13.002 -8.094 4.171 58 HA PRO 10 HA PRO 10 -13.734 -4.880 0.506 59 HB2 PRO 10 1HB PRO 10 -11.766 -2.827 -0.107 60 HB3 PRO 10 2HB PRO 10 -13.507 -2.809 -0.380 61 HG2 PRO 10 1HG PRO 10 -12.284 -1.238 1.462 62 HG3 PRO 10 2HG PRO 10 -13.944 -1.833 1.641 63 HD2 PRO 10 1HD PRO 10 -11.428 -2.829 2.916 64 HD3 PRO 10 2HD PRO 10 -13.053 -2.660 3.606 65 H THR 11 H THR 11 -12.880 -6.539 -0.518 66 HA THR 11 HA THR 11 -10.288 -7.541 -0.030 67 HB THR 11 HB THR 11 -12.095 -8.254 -2.348 68 HG1 THR 11 HG1 THR 11 -12.174 -8.977 0.403 69 HG21 THR 11 1HG2 THR 11 -9.835 -9.217 -2.432 70 HG22 THR 11 2HG2 THR 11 -11.054 -10.458 -2.143 71 HG23 THR 11 3HG2 THR 11 -10.059 -9.874 -0.809 72 H ALA 12 H ALA 12 -11.651 -5.566 -2.600 73 HA ALA 12 HA ALA 12 -9.358 -5.738 -4.306 74 HB1 ALA 12 1HB ALA 12 -10.462 -4.046 -5.648 75 HB2 ALA 12 2HB ALA 12 -11.617 -3.743 -4.352 76 HB3 ALA 12 3HB ALA 12 -11.610 -5.299 -5.181 77 H PHE 13 H PHE 13 -10.189 -3.883 -1.557 78 HA PHE 13 HA PHE 13 -8.669 -1.559 -2.036 79 HB2 PHE 13 1HB PHE 13 -10.326 -1.557 -0.301 80 HB3 PHE 13 2HB PHE 13 -9.532 -2.880 0.538 81 HD1 PHE 13 HD1 PHE 13 -8.757 0.565 -0.671 82 HD2 PHE 13 HD2 PHE 13 -8.290 -2.363 2.379 83 HE1 PHE 13 HE1 PHE 13 -7.499 2.181 0.689 84 HE2 PHE 13 HE2 PHE 13 -7.033 -0.754 3.740 85 HZ PHE 13 HZ PHE 13 -6.633 1.522 2.898 86 H ARG 14 H ARG 14 -7.760 -4.769 -1.238 87 HA ARG 14 HA ARG 14 -5.236 -4.268 -0.081 88 HB2 ARG 14 1HB ARG 14 -6.313 -6.472 -0.000 89 HB3 ARG 14 2HB ARG 14 -6.168 -6.616 -1.746 90 HG2 ARG 14 1HG ARG 14 -3.733 -6.590 -1.543 91 HG3 ARG 14 2HG ARG 14 -3.884 -6.470 0.208 92 HD2 ARG 14 1HD ARG 14 -5.011 -8.626 0.281 93 HD3 ARG 14 2HD ARG 14 -4.942 -8.737 -1.476 94 HE ARG 14 HE ARG 14 -2.338 -8.393 -0.444 95 HH11 ARG 14 1HH1 ARG 14 -4.892 -10.772 -0.608 96 HH12 ARG 14 2HH1 ARG 14 -3.814 -12.129 -0.585 97 HH21 ARG 14 1HH2 ARG 14 -0.905 -10.178 -0.400 98 HH22 ARG 14 2HH2 ARG 14 -1.541 -11.790 -0.453 99 H GLN 15 H GLN 15 -6.413 -4.224 -3.347 100 HA GLN 15 HA GLN 15 -3.736 -3.972 -4.460 101 HB2 GLN 15 1HB GLN 15 -5.406 -5.307 -5.673 102 HB3 GLN 15 2HB GLN 15 -6.446 -3.899 -5.796 103 HG2 GLN 15 1HG GLN 15 -5.294 -4.297 -7.879 104 HG3 GLN 15 2HG GLN 15 -4.776 -2.772 -7.163 105 HE21 GLN 15 1HE2 GLN 15 -2.699 -2.587 -6.344 106 HE22 GLN 15 2HE2 GLN 15 -1.451 -3.723 -6.732 107 H ILE 16 H ILE 16 -6.522 -2.040 -3.665 108 HA ILE 16 HA ILE 16 -5.728 0.308 -5.062 109 HB ILE 16 HB ILE 16 -7.580 0.030 -2.684 110 HG12 ILE 16 1HG1 ILE 16 -8.187 0.170 -5.653 111 HG13 ILE 16 2HG1 ILE 16 -8.310 -1.275 -4.654 112 HG21 ILE 16 1HG2 ILE 16 -7.252 2.305 -4.642 113 HG22 ILE 16 2HG2 ILE 16 -6.768 2.312 -2.947 114 HG23 ILE 16 3HG2 ILE 16 -8.474 2.204 -3.375 115 HD11 ILE 16 1HD1 ILE 16 -10.083 -0.241 -3.353 116 HD12 ILE 16 2HD1 ILE 16 -10.488 -0.269 -5.070 117 HD13 ILE 16 3HD1 ILE 16 -9.945 1.229 -4.317 118 H GLY 17 H GLY 17 -5.209 -0.958 -1.829 119 HA2 GLY 17 1HA GLY 17 -3.838 1.419 -0.921 120 HA3 GLY 17 2HA GLY 17 -4.027 -0.087 -0.034 121 H ASN 18 H ASN 18 -2.271 1.419 -2.696 122 HA ASN 18 HA ASN 18 -0.143 -0.557 -2.491 123 HB2 ASN 18 1HB ASN 18 -0.707 0.175 -4.728 124 HB3 ASN 18 2HB ASN 18 -0.489 1.859 -4.278 125 HD21 ASN 18 1HD2 ASN 18 1.121 -1.147 -4.993 126 HD22 ASN 18 2HD2 ASN 18 2.694 -0.471 -5.218 127 H CYS 19 H CYS 19 -0.880 2.689 -1.515 128 HA CYS 19 HA CYS 19 1.806 3.210 -0.560 129 HB2 CYS 19 1HB CYS 19 0.793 5.310 0.314 130 HB3 CYS 19 2HB CYS 19 0.523 5.082 -1.410 131 HG CYS 19 HG CYS 19 -1.916 3.924 0.594 132 H GLY 20 H GLY 20 2.424 3.287 1.605 133 HA2 GLY 20 1HA GLY 20 0.685 1.744 3.398 134 HA3 GLY 20 2HA GLY 20 2.417 1.979 3.595 135 H ARG 21 H ARG 21 -0.714 3.154 4.344 136 HA ARG 21 HA ARG 21 0.076 5.762 5.208 137 HB2 ARG 21 1HB ARG 21 -2.361 4.129 5.942 138 HB3 ARG 21 2HB ARG 21 -2.137 5.832 6.309 139 HG2 ARG 21 1HG ARG 21 -2.095 6.354 3.935 140 HG3 ARG 21 2HG ARG 21 -2.278 4.643 3.545 141 HD2 ARG 21 1HD ARG 21 -4.423 5.748 3.375 142 HD3 ARG 21 2HD ARG 21 -4.437 4.629 4.737 143 HE ARG 21 HE ARG 21 -3.704 7.195 5.640 144 HH11 ARG 21 1HH1 ARG 21 -6.486 5.473 4.400 145 HH12 ARG 21 2HH1 ARG 21 -7.635 6.445 5.263 146 HH21 ARG 21 1HH2 ARG 21 -5.216 8.481 6.780 147 HH22 ARG 21 2HH2 ARG 21 -6.911 8.146 6.626 148 H PHE 22 H PHE 22 -0.013 2.605 6.575 149 HA PHE 22 HA PHE 22 0.777 3.625 9.214 150 HB2 PHE 22 1HB PHE 22 0.177 1.371 10.038 151 HB3 PHE 22 2HB PHE 22 -1.182 2.155 9.243 152 HD1 PHE 22 HD1 PHE 22 -1.939 1.393 7.037 153 HD2 PHE 22 HD2 PHE 22 1.166 -0.607 9.151 154 HE1 PHE 22 HE1 PHE 22 -2.199 -0.558 5.570 155 HE2 PHE 22 HE2 PHE 22 0.907 -2.562 7.684 156 HZ PHE 22 HZ PHE 22 -0.776 -2.540 5.890 157 H ARG 23 H ARG 23 2.403 2.192 10.346 158 HA ARG 23 HA ARG 23 4.543 1.515 8.475 159 HB2 ARG 23 1HB ARG 23 4.518 1.895 11.472 160 HB3 ARG 23 2HB ARG 23 5.919 1.312 10.590 161 HG2 ARG 23 1HG ARG 23 5.853 3.426 9.251 162 HG3 ARG 23 2HG ARG 23 4.604 4.005 10.358 163 HD2 ARG 23 1HD ARG 23 6.855 4.797 10.979 164 HD3 ARG 23 2HD ARG 23 6.123 3.794 12.232 165 HE ARG 23 HE ARG 23 7.568 2.009 10.815 166 HH11 ARG 23 1HH1 ARG 23 8.383 5.105 12.220 167 HH12 ARG 23 2HH1 ARG 23 10.035 4.680 12.523 168 HH21 ARG 23 1HH2 ARG 23 9.737 1.431 11.224 169 HH22 ARG 23 2HH2 ARG 23 10.801 2.576 11.970 170 H VAL 24 H VAL 24 5.586 -0.460 8.486 171 HA VAL 24 HA VAL 24 3.904 -2.696 8.700 172 HB VAL 24 HB VAL 24 6.918 -2.630 8.486 173 HG11 VAL 24 1HG1 VAL 24 4.977 -4.855 7.864 174 HG12 VAL 24 2HG1 VAL 24 6.105 -4.811 9.219 175 HG13 VAL 24 3HG1 VAL 24 6.714 -4.886 7.568 176 HG21 VAL 24 1HG2 VAL 24 4.796 -2.803 6.346 177 HG22 VAL 24 2HG2 VAL 24 6.533 -2.935 6.079 178 HG23 VAL 24 3HG2 VAL 24 5.845 -1.422 6.665 179 H ARG 25 H ARG 25 6.359 -1.395 10.866 180 HA ARG 25 HA ARG 25 6.457 -3.507 12.704 181 HB2 ARG 25 1HB ARG 25 8.077 -1.693 12.763 182 HB3 ARG 25 2HB ARG 25 6.809 -0.533 13.134 183 HG2 ARG 25 1HG ARG 25 6.429 -1.616 15.280 184 HG3 ARG 25 2HG ARG 25 7.685 -2.802 14.911 185 HD2 ARG 25 1HD ARG 25 9.360 -1.046 14.846 186 HD3 ARG 25 2HD ARG 25 8.119 0.176 15.110 187 HE ARG 25 HE ARG 25 7.995 -1.666 17.208 188 HH11 ARG 25 1HH1 ARG 25 10.158 0.785 15.960 189 HH12 ARG 25 2HH1 ARG 25 10.857 1.141 17.509 190 HH21 ARG 25 1HH2 ARG 25 8.894 -1.177 19.258 191 HH22 ARG 25 2HH2 ARG 25 10.122 0.041 19.381 192 H CYS 26 H CYS 26 4.299 -0.729 12.459 193 HA CYS 26 HA CYS 26 2.889 -1.141 14.862 194 HB2 CYS 26 1HB CYS 26 2.836 0.974 13.597 195 HB3 CYS 26 2HB CYS 26 1.966 0.174 12.295 196 HG CYS 26 HG CYS 26 -0.195 1.233 13.256 197 H CYS 27 H CYS 27 2.488 -2.378 11.606 198 HA CYS 27 HA CYS 27 -0.036 -3.632 12.110 199 HB2 CYS 27 1HB CYS 27 0.671 -2.930 9.850 200 HB3 CYS 27 2HB CYS 27 1.971 -4.116 9.893 201 HG CYS 27 HG CYS 27 -0.652 -5.838 10.521 202 H ARG 28 H ARG 28 3.242 -4.475 12.691 203 HA ARG 28 HA ARG 28 2.744 -7.321 12.751 204 HB2 ARG 28 1HB ARG 28 5.086 -5.584 12.786 205 HB3 ARG 28 2HB ARG 28 5.217 -6.909 13.929 206 HG2 ARG 28 1HG ARG 28 6.198 -7.425 11.739 207 HG3 ARG 28 2HG ARG 28 4.888 -8.523 12.174 208 HD2 ARG 28 1HD ARG 28 3.363 -7.311 10.723 209 HD3 ARG 28 2HD ARG 28 4.624 -6.138 10.343 210 HE ARG 28 HE ARG 28 5.636 -8.628 9.680 211 HH11 ARG 28 1HH1 ARG 28 2.902 -6.671 8.701 212 HH12 ARG 28 2HH1 ARG 28 2.939 -7.212 7.055 213 HH21 ARG 28 1HH2 ARG 28 5.677 -9.356 7.526 214 HH22 ARG 28 2HH2 ARG 28 4.511 -8.750 6.389 215 H ILE 29 H ILE 29 2.735 -4.690 14.997 216 HA ILE 29 HA ILE 29 2.864 -6.536 17.251 217 HB ILE 29 HB ILE 29 4.155 -4.494 17.495 218 HG12 ILE 29 1HG1 ILE 29 3.187 -3.675 19.654 219 HG13 ILE 29 2HG1 ILE 29 1.742 -4.625 19.312 220 HG21 ILE 29 1HG2 ILE 29 3.102 -2.294 17.673 221 HG22 ILE 29 2HG2 ILE 29 1.549 -3.005 17.235 222 HG23 ILE 29 3HG2 ILE 29 2.875 -3.003 16.074 223 HD11 ILE 29 1HD1 ILE 29 3.053 -6.664 19.358 224 HD12 ILE 29 2HD1 ILE 29 3.254 -5.757 20.858 225 HD13 ILE 29 3HD1 ILE 29 4.523 -5.730 19.634 226 H ARG 30 H ARG 30 0.618 -4.095 15.938 227 HA ARG 30 HA ARG 30 -1.689 -5.609 16.374 228 HB2 ARG 30 1HB ARG 30 -1.222 -5.251 18.766 229 HB3 ARG 30 2HB ARG 30 -1.192 -3.513 18.504 230 HG2 ARG 30 1HG ARG 30 -3.296 -4.272 19.496 231 HG3 ARG 30 2HG ARG 30 -3.533 -3.518 17.920 232 HD2 ARG 30 1HD ARG 30 -4.887 -5.557 18.203 233 HD3 ARG 30 2HD ARG 30 -3.741 -5.687 16.871 234 HE ARG 30 HE ARG 30 -2.750 -6.743 19.358 235 HH11 ARG 30 1HH1 ARG 30 -4.617 -7.450 16.482 236 HH12 ARG 30 2HH1 ARG 30 -4.314 -9.158 16.561 237 HH21 ARG 30 1HH2 ARG 30 -2.356 -8.975 19.464 238 HH22 ARG 30 2HH2 ARG 30 -3.049 -10.031 18.269 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 -25.729 -9.854 -0.186 2 H2 ASN 1 2H ASN 1 -26.559 -10.134 -1.634 3 H3 ASN 1 3H ASN 1 -25.042 -9.392 -1.659 4 HA ASN 1 HA ASN 1 -23.994 -11.376 -0.851 5 HB2 ASN 1 1HB ASN 1 -25.822 -12.254 0.492 6 HB3 ASN 1 2HB ASN 1 -26.795 -12.510 -0.949 7 HD21 ASN 1 1HD2 ASN 1 -24.077 -13.632 0.909 8 HD22 ASN 1 2HD2 ASN 1 -23.917 -15.160 0.114 9 H GLY 2 H GLY 2 -22.837 -12.016 -2.536 10 HA2 GLY 2 1HA GLY 2 -23.730 -13.548 -4.645 11 HA3 GLY 2 2HA GLY 2 -23.836 -11.886 -5.201 12 H ALA 3 H ALA 3 -22.209 -11.787 -6.657 13 HA ALA 3 HA ALA 3 -19.691 -13.073 -6.263 14 HB1 ALA 3 1HB ALA 3 -20.621 -12.690 -8.497 15 HB2 ALA 3 2HB ALA 3 -19.022 -11.963 -8.329 16 HB3 ALA 3 3HB ALA 3 -20.464 -10.949 -8.263 17 H ILE 4 H ILE 4 -20.970 -9.900 -5.640 18 HA ILE 4 HA ILE 4 -18.555 -8.491 -5.304 19 HB ILE 4 HB ILE 4 -21.249 -8.047 -3.997 20 HG12 ILE 4 1HG1 ILE 4 -21.267 -7.906 -6.458 21 HG13 ILE 4 2HG1 ILE 4 -21.558 -6.331 -5.718 22 HG21 ILE 4 1HG2 ILE 4 -20.484 -5.775 -3.514 23 HG22 ILE 4 2HG2 ILE 4 -18.887 -6.171 -4.148 24 HG23 ILE 4 3HG2 ILE 4 -19.484 -6.976 -2.696 25 HD11 ILE 4 1HD1 ILE 4 -18.969 -7.293 -6.921 26 HD12 ILE 4 2HD1 ILE 4 -19.207 -5.734 -6.129 27 HD13 ILE 4 3HD1 ILE 4 -20.080 -6.113 -7.614 28 H CYS 5 H CYS 5 -16.988 -9.065 -3.959 29 HA CYS 5 HA CYS 5 -17.664 -10.392 -1.439 30 HB2 CYS 5 1HB CYS 5 -14.965 -10.004 -2.742 31 HB3 CYS 5 2HB CYS 5 -15.306 -11.005 -1.337 32 HG CYS 5 HG CYS 5 -17.014 -11.716 -4.166 33 H TRP 6 H TRP 6 -17.445 -7.371 -2.429 34 HA TRP 6 HA TRP 6 -15.771 -6.178 -0.442 35 HB2 TRP 6 1HB TRP 6 -16.529 -5.162 -2.685 36 HB3 TRP 6 2HB TRP 6 -18.051 -4.820 -1.879 37 HD1 TRP 6 HD1 TRP 6 -14.541 -3.554 -2.257 38 HE1 TRP 6 HE1 TRP 6 -14.251 -1.373 -0.920 39 HE3 TRP 6 HE3 TRP 6 -18.914 -3.635 0.384 40 HZ2 TRP 6 HZ2 TRP 6 -15.692 0.116 0.998 41 HZ3 TRP 6 HZ3 TRP 6 -19.383 -1.793 1.944 42 HH2 TRP 6 HH2 TRP 6 -17.805 0.040 2.243 43 H GLY 7 H GLY 7 -16.253 -6.338 1.656 44 HA2 GLY 7 1HA GLY 7 -18.999 -5.712 2.492 45 HA3 GLY 7 2HA GLY 7 -18.224 -7.167 3.104 46 HA PRO 8 HA PRO 8 -17.146 -4.275 6.423 47 HB2 PRO 8 1HB PRO 8 -15.955 -6.745 7.535 48 HB3 PRO 8 2HB PRO 8 -17.112 -5.626 8.264 49 HG2 PRO 8 1HG PRO 8 -17.875 -8.043 7.428 50 HG3 PRO 8 2HG PRO 8 -18.930 -6.630 7.244 51 HD2 PRO 8 1HD PRO 8 -17.227 -8.004 5.201 52 HD3 PRO 8 2HD PRO 8 -18.865 -7.341 5.041 53 H CYS 9 H CYS 9 -15.082 -6.634 4.828 54 HA CYS 9 HA CYS 9 -12.803 -4.822 5.246 55 HB2 CYS 9 1HB CYS 9 -11.395 -6.974 5.073 56 HB3 CYS 9 2HB CYS 9 -12.242 -6.663 6.584 57 HG CYS 9 HG CYS 9 -13.198 -8.859 4.143 58 HA PRO 10 HA PRO 10 -13.543 -4.831 0.760 59 HB2 PRO 10 1HB PRO 10 -11.552 -2.651 0.966 60 HB3 PRO 10 2HB PRO 10 -13.146 -2.648 0.205 61 HG2 PRO 10 1HG PRO 10 -12.733 -1.370 2.503 62 HG3 PRO 10 2HG PRO 10 -14.246 -2.248 2.204 63 HD2 PRO 10 1HD PRO 10 -11.873 -3.067 3.841 64 HD3 PRO 10 2HD PRO 10 -13.603 -3.263 4.187 65 H THR 11 H THR 11 -12.519 -6.364 -0.365 66 HA THR 11 HA THR 11 -9.746 -6.982 -0.001 67 HB THR 11 HB THR 11 -11.582 -7.928 -2.209 68 HG1 THR 11 HG1 THR 11 -12.064 -9.659 -0.789 69 HG21 THR 11 1HG2 THR 11 -10.102 -9.879 -2.254 70 HG22 THR 11 2HG2 THR 11 -9.116 -9.169 -0.977 71 HG23 THR 11 3HG2 THR 11 -9.197 -8.396 -2.559 72 H ALA 12 H ALA 12 -11.702 -5.365 -2.442 73 HA ALA 12 HA ALA 12 -9.812 -4.971 -4.430 74 HB1 ALA 12 1HB ALA 12 -12.054 -3.139 -3.592 75 HB2 ALA 12 2HB ALA 12 -12.166 -4.471 -4.742 76 HB3 ALA 12 3HB ALA 12 -11.186 -3.056 -5.123 77 H PHE 13 H PHE 13 -10.395 -3.126 -1.488 78 HA PHE 13 HA PHE 13 -8.737 -0.933 -2.091 79 HB2 PHE 13 1HB PHE 13 -10.508 -1.071 -0.283 80 HB3 PHE 13 2HB PHE 13 -9.341 -1.972 0.675 81 HD1 PHE 13 HD1 PHE 13 -10.166 1.280 -0.777 82 HD2 PHE 13 HD2 PHE 13 -7.460 -0.886 1.686 83 HE1 PHE 13 HE1 PHE 13 -9.226 3.395 0.046 84 HE2 PHE 13 HE2 PHE 13 -6.515 1.224 2.511 85 HZ PHE 13 HZ PHE 13 -7.397 3.370 1.693 86 H ARG 14 H ARG 14 -8.101 -4.097 -0.778 87 HA ARG 14 HA ARG 14 -5.506 -3.564 0.257 88 HB2 ARG 14 1HB ARG 14 -6.734 -6.170 -0.668 89 HB3 ARG 14 2HB ARG 14 -5.241 -6.026 0.243 90 HG2 ARG 14 1HG ARG 14 -7.950 -5.143 1.220 91 HG3 ARG 14 2HG ARG 14 -7.169 -6.671 1.624 92 HD2 ARG 14 1HD ARG 14 -6.093 -3.920 2.250 93 HD3 ARG 14 2HD ARG 14 -6.875 -5.003 3.400 94 HE ARG 14 HE ARG 14 -4.728 -6.369 2.238 95 HH11 ARG 14 1HH1 ARG 14 -5.323 -3.682 4.403 96 HH12 ARG 14 2HH1 ARG 14 -3.801 -3.844 5.223 97 HH21 ARG 14 1HH2 ARG 14 -2.731 -6.586 3.327 98 HH22 ARG 14 2HH2 ARG 14 -2.330 -5.487 4.608 99 H GLN 15 H GLN 15 -6.783 -4.291 -2.872 100 HA GLN 15 HA GLN 15 -4.185 -4.867 -4.022 101 HB2 GLN 15 1HB GLN 15 -6.911 -4.589 -5.298 102 HB3 GLN 15 2HB GLN 15 -5.452 -5.093 -6.136 103 HG2 GLN 15 1HG GLN 15 -5.318 -7.095 -4.873 104 HG3 GLN 15 2HG GLN 15 -6.594 -6.563 -3.779 105 HE21 GLN 15 1HE2 GLN 15 -5.855 -7.820 -6.926 106 HE22 GLN 15 2HE2 GLN 15 -7.471 -8.259 -7.346 107 H ILE 16 H ILE 16 -6.381 -2.224 -3.655 108 HA ILE 16 HA ILE 16 -5.265 -0.543 -5.666 109 HB ILE 16 HB ILE 16 -6.953 0.115 -3.246 110 HG12 ILE 16 1HG1 ILE 16 -7.626 -0.076 -6.197 111 HG13 ILE 16 2HG1 ILE 16 -8.099 -1.232 -4.953 112 HG21 ILE 16 1HG2 ILE 16 -6.113 1.909 -5.524 113 HG22 ILE 16 2HG2 ILE 16 -5.626 2.058 -3.835 114 HG23 ILE 16 3HG2 ILE 16 -7.310 2.315 -4.293 115 HD11 ILE 16 1HD1 ILE 16 -9.451 0.493 -3.872 116 HD12 ILE 16 2HD1 ILE 16 -9.944 0.224 -5.542 117 HD13 ILE 16 3HD1 ILE 16 -8.983 1.642 -5.123 118 H GLY 17 H GLY 17 -4.967 -0.587 -2.098 119 HA2 GLY 17 1HA GLY 17 -3.331 0.273 -0.724 120 HA3 GLY 17 2HA GLY 17 -2.241 0.178 -2.101 121 H ASN 18 H ASN 18 -4.430 2.171 -0.307 122 HA ASN 18 HA ASN 18 -5.030 4.201 -2.024 123 HB2 ASN 18 1HB ASN 18 -5.361 5.623 -0.021 124 HB3 ASN 18 2HB ASN 18 -6.075 4.028 0.137 125 HD21 ASN 18 1HD2 ASN 18 -3.767 6.250 1.361 126 HD22 ASN 18 2HD2 ASN 18 -3.234 5.294 2.700 127 H CYS 19 H CYS 19 -3.867 5.457 -3.215 128 HA CYS 19 HA CYS 19 -2.324 6.943 -3.944 129 HB2 CYS 19 1HB CYS 19 -3.147 8.174 -1.946 130 HB3 CYS 19 2HB CYS 19 -1.845 7.459 -1.006 131 HG CYS 19 HG CYS 19 0.103 8.649 -2.841 132 H GLY 20 H GLY 20 -1.486 4.247 -3.682 133 HA2 GLY 20 1HA GLY 20 0.473 3.068 -3.975 134 HA3 GLY 20 2HA GLY 20 1.340 4.599 -3.907 135 H ARG 21 H ARG 21 -0.650 2.730 -1.653 136 HA ARG 21 HA ARG 21 0.801 3.547 0.625 137 HB2 ARG 21 1HB ARG 21 -1.552 2.775 0.658 138 HB3 ARG 21 2HB ARG 21 -1.001 1.143 0.307 139 HG2 ARG 21 1HG ARG 21 0.156 1.026 2.407 140 HG3 ARG 21 2HG ARG 21 -0.226 2.715 2.749 141 HD2 ARG 21 1HD ARG 21 -1.752 1.337 3.980 142 HD3 ARG 21 2HD ARG 21 -2.639 2.120 2.675 143 HE ARG 21 HE ARG 21 -1.671 -0.490 1.969 144 HH11 ARG 21 1HH1 ARG 21 -4.265 1.280 3.506 145 HH12 ARG 21 2HH1 ARG 21 -5.409 -0.013 3.353 146 HH21 ARG 21 1HH2 ARG 21 -3.184 -2.196 1.758 147 HH22 ARG 21 2HH2 ARG 21 -4.799 -1.985 2.362 148 H PHE 22 H PHE 22 1.110 0.836 -1.538 149 HA PHE 22 HA PHE 22 3.139 -0.426 0.110 150 HB2 PHE 22 1HB PHE 22 3.218 -2.054 -1.857 151 HB3 PHE 22 2HB PHE 22 1.718 -2.001 -0.943 152 HD1 PHE 22 HD1 PHE 22 -0.291 -1.018 -1.908 153 HD2 PHE 22 HD2 PHE 22 3.325 -1.311 -4.132 154 HE1 PHE 22 HE1 PHE 22 -1.536 -0.598 -3.982 155 HE2 PHE 22 HE2 PHE 22 2.082 -0.889 -6.210 156 HZ PHE 22 HZ PHE 22 -0.352 -0.529 -6.139 157 H ARG 23 H ARG 23 5.309 -0.618 -0.498 158 HA ARG 23 HA ARG 23 6.165 1.614 -2.181 159 HB2 ARG 23 1HB ARG 23 7.691 -0.039 -0.169 160 HB3 ARG 23 2HB ARG 23 8.405 1.239 -1.142 161 HG2 ARG 23 1HG ARG 23 6.836 2.848 -0.122 162 HG3 ARG 23 2HG ARG 23 6.221 1.553 0.906 163 HD2 ARG 23 1HD ARG 23 7.869 2.915 2.089 164 HD3 ARG 23 2HD ARG 23 8.439 1.260 1.879 165 HE ARG 23 HE ARG 23 9.296 3.310 -0.034 166 HH11 ARG 23 1HH1 ARG 23 10.061 1.119 2.585 167 HH12 ARG 23 2HH1 ARG 23 11.774 1.247 2.363 168 HH21 ARG 23 1HH2 ARG 23 11.561 3.478 -0.333 169 HH22 ARG 23 2HH2 ARG 23 12.628 2.590 0.709 170 H VAL 24 H VAL 24 6.275 1.033 -4.223 171 HA VAL 24 HA VAL 24 7.119 -1.584 -5.055 172 HB VAL 24 HB VAL 24 6.670 0.881 -6.744 173 HG11 VAL 24 1HG1 VAL 24 6.368 -0.718 -8.578 174 HG12 VAL 24 2HG1 VAL 24 6.776 -2.038 -7.484 175 HG13 VAL 24 3HG1 VAL 24 7.984 -0.816 -7.880 176 HG21 VAL 24 1HG2 VAL 24 4.663 0.321 -5.488 177 HG22 VAL 24 2HG2 VAL 24 4.765 -1.348 -6.046 178 HG23 VAL 24 3HG2 VAL 24 4.450 -0.051 -7.198 179 H ARG 25 H ARG 25 8.484 1.672 -5.001 180 HA ARG 25 HA ARG 25 10.816 1.078 -6.465 181 HB2 ARG 25 1HB ARG 25 10.102 3.383 -6.156 182 HB3 ARG 25 2HB ARG 25 10.316 3.243 -4.415 183 HG2 ARG 25 1HG ARG 25 12.678 3.065 -4.637 184 HG3 ARG 25 2HG ARG 25 12.559 2.920 -6.391 185 HD2 ARG 25 1HD ARG 25 11.706 5.354 -4.827 186 HD3 ARG 25 2HD ARG 25 13.286 5.167 -5.580 187 HE ARG 25 HE ARG 25 10.754 5.176 -7.105 188 HH11 ARG 25 1HH1 ARG 25 14.122 6.084 -6.726 189 HH12 ARG 25 2HH1 ARG 25 14.193 6.913 -8.248 190 HH21 ARG 25 1HH2 ARG 25 10.861 6.261 -9.106 191 HH22 ARG 25 2HH2 ARG 25 12.347 7.011 -9.601 192 H CYS 26 H CYS 26 9.969 0.592 -3.131 193 HA CYS 26 HA CYS 26 12.553 0.311 -2.057 194 HB2 CYS 26 1HB CYS 26 10.530 0.502 -0.662 195 HB3 CYS 26 2HB CYS 26 10.006 -1.088 -1.207 196 HG CYS 26 HG CYS 26 13.056 -0.954 0.225 197 H CYS 27 H CYS 27 10.461 -1.937 -3.768 198 HA CYS 27 HA CYS 27 12.420 -4.080 -3.421 199 HB2 CYS 27 1HB CYS 27 9.685 -4.159 -4.712 200 HB3 CYS 27 2HB CYS 27 10.698 -5.549 -4.333 201 HG CYS 27 HG CYS 27 10.402 -5.461 -1.645 202 H ARG 28 H ARG 28 11.929 -1.585 -5.487 203 HA ARG 28 HA ARG 28 12.750 -3.071 -7.868 204 HB2 ARG 28 1HB ARG 28 10.843 -1.494 -8.097 205 HB3 ARG 28 2HB ARG 28 11.904 -0.177 -7.616 206 HG2 ARG 28 1HG ARG 28 13.296 -0.586 -9.594 207 HG3 ARG 28 2HG ARG 28 12.198 -1.877 -10.081 208 HD2 ARG 28 1HD ARG 28 10.366 -0.251 -10.228 209 HD3 ARG 28 2HD ARG 28 11.478 1.036 -9.764 210 HE ARG 28 HE ARG 28 12.590 -0.201 -11.975 211 HH11 ARG 28 1HH1 ARG 28 9.645 1.550 -11.246 212 HH12 ARG 28 2HH1 ARG 28 9.473 2.173 -12.852 213 HH21 ARG 28 1HH2 ARG 28 12.367 0.623 -14.082 214 HH22 ARG 28 2HH2 ARG 28 11.018 1.645 -14.469 215 H ILE 29 H ILE 29 13.679 -0.340 -5.840 216 HA ILE 29 HA ILE 29 16.332 -0.354 -7.113 217 HB ILE 29 HB ILE 29 14.880 1.907 -5.720 218 HG12 ILE 29 1HG1 ILE 29 14.042 1.469 -7.977 219 HG13 ILE 29 2HG1 ILE 29 14.931 2.989 -7.940 220 HG21 ILE 29 1HG2 ILE 29 16.795 3.311 -6.346 221 HG22 ILE 29 2HG2 ILE 29 17.633 1.884 -6.953 222 HG23 ILE 29 3HG2 ILE 29 17.258 2.021 -5.237 223 HD11 ILE 29 1HD1 ILE 29 15.946 0.355 -8.986 224 HD12 ILE 29 2HD1 ILE 29 16.878 1.850 -8.907 225 HD13 ILE 29 3HD1 ILE 29 15.452 1.750 -9.943 226 H ARG 30 H ARG 30 17.892 -1.134 -5.910 227 HA ARG 30 HA ARG 30 19.177 -1.785 -4.165 228 HB2 ARG 30 1HB ARG 30 17.849 0.563 -2.802 229 HB3 ARG 30 2HB ARG 30 19.246 -0.300 -2.176 230 HG2 ARG 30 1HG ARG 30 19.125 1.263 -4.745 231 HG3 ARG 30 2HG ARG 30 19.928 1.749 -3.252 232 HD2 ARG 30 1HD ARG 30 21.424 -0.188 -3.439 233 HD3 ARG 30 2HD ARG 30 20.629 -0.648 -4.943 234 HE ARG 30 HE ARG 30 21.740 2.024 -4.914 235 HH11 ARG 30 1HH1 ARG 30 22.265 -1.352 -5.683 236 HH12 ARG 30 2HH1 ARG 30 23.567 -1.029 -6.786 237 HH21 ARG 30 1HH2 ARG 30 23.457 2.449 -6.372 238 HH22 ARG 30 2HH2 ARG 30 24.247 1.126 -7.169 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 -17.881 -8.614 -3.301 2 H2 ASN 1 2H ASN 1 -19.272 -8.716 -2.352 3 H3 ASN 1 3H ASN 1 -19.294 -7.821 -3.784 4 HA ASN 1 HA ASN 1 -18.952 -10.750 -3.548 5 HB2 ASN 1 1HB ASN 1 -21.254 -9.992 -3.115 6 HB3 ASN 1 2HB ASN 1 -21.252 -9.121 -4.640 7 HD21 ASN 1 1HD2 ASN 1 -19.814 -12.302 -4.194 8 HD22 ASN 1 2HD2 ASN 1 -20.954 -13.145 -5.183 9 H GLY 2 H GLY 2 -19.646 -8.136 -5.907 10 HA2 GLY 2 1HA GLY 2 -17.697 -9.396 -7.704 11 HA3 GLY 2 2HA GLY 2 -19.333 -9.137 -8.292 12 H ALA 3 H ALA 3 -20.118 -6.920 -8.387 13 HA ALA 3 HA ALA 3 -18.176 -5.143 -9.470 14 HB1 ALA 3 1HB ALA 3 -21.032 -4.547 -8.698 15 HB2 ALA 3 2HB ALA 3 -20.534 -5.252 -10.235 16 HB3 ALA 3 3HB ALA 3 -20.020 -3.621 -9.806 17 H ILE 4 H ILE 4 -19.892 -5.390 -6.420 18 HA ILE 4 HA ILE 4 -18.361 -3.122 -5.364 19 HB ILE 4 HB ILE 4 -20.659 -4.623 -4.082 20 HG12 ILE 4 1HG1 ILE 4 -21.379 -3.391 -6.092 21 HG13 ILE 4 2HG1 ILE 4 -22.032 -2.665 -4.625 22 HG21 ILE 4 1HG2 ILE 4 -20.710 -2.785 -2.482 23 HG22 ILE 4 2HG2 ILE 4 -19.334 -2.030 -3.284 24 HG23 ILE 4 3HG2 ILE 4 -19.137 -3.582 -2.469 25 HD11 ILE 4 1HD1 ILE 4 -20.310 -0.931 -4.728 26 HD12 ILE 4 2HD1 ILE 4 -21.296 -0.970 -6.191 27 HD13 ILE 4 3HD1 ILE 4 -19.673 -1.659 -6.202 28 H CYS 5 H CYS 5 -16.446 -3.745 -4.630 29 HA CYS 5 HA CYS 5 -16.198 -6.331 -3.262 30 HB2 CYS 5 1HB CYS 5 -14.048 -4.515 -4.373 31 HB3 CYS 5 2HB CYS 5 -13.779 -6.085 -3.621 32 HG CYS 5 HG CYS 5 -13.915 -5.643 -6.692 33 H TRP 6 H TRP 6 -17.122 -3.535 -2.335 34 HA TRP 6 HA TRP 6 -15.307 -3.219 -0.063 35 HB2 TRP 6 1HB TRP 6 -15.941 -1.177 -1.331 36 HB3 TRP 6 2HB TRP 6 -17.628 -1.471 -0.927 37 HD1 TRP 6 HD1 TRP 6 -18.369 -1.043 1.626 38 HE1 TRP 6 HE1 TRP 6 -17.312 0.368 3.497 39 HE3 TRP 6 HE3 TRP 6 -13.725 -0.373 -0.399 40 HZ2 TRP 6 HZ2 TRP 6 -14.828 1.612 4.035 41 HZ3 TRP 6 HZ3 TRP 6 -12.072 0.944 0.855 42 HH2 TRP 6 HH2 TRP 6 -12.614 1.914 3.021 43 H GLY 7 H GLY 7 -15.826 -4.047 1.856 44 HA2 GLY 7 1HA GLY 7 -18.582 -4.212 2.718 45 HA3 GLY 7 2HA GLY 7 -17.791 -5.769 2.483 46 HA PRO 8 HA PRO 8 -16.785 -4.757 6.863 47 HB2 PRO 8 1HB PRO 8 -16.467 -7.694 6.904 48 HB3 PRO 8 2HB PRO 8 -17.392 -6.650 7.988 49 HG2 PRO 8 1HG PRO 8 -18.614 -8.230 6.211 50 HG3 PRO 8 2HG PRO 8 -19.239 -6.614 6.593 51 HD2 PRO 8 1HD PRO 8 -17.654 -7.522 4.220 52 HD3 PRO 8 2HD PRO 8 -19.037 -6.414 4.289 53 H CYS 9 H CYS 9 -15.255 -6.604 4.351 54 HA CYS 9 HA CYS 9 -12.658 -5.692 5.321 55 HB2 CYS 9 1HB CYS 9 -12.922 -8.018 6.132 56 HB3 CYS 9 2HB CYS 9 -13.195 -8.550 4.478 57 HG CYS 9 HG CYS 9 -10.560 -7.565 3.707 58 HA PRO 10 HA PRO 10 -13.480 -4.722 0.889 59 HB2 PRO 10 1HB PRO 10 -11.826 -2.531 0.883 60 HB3 PRO 10 2HB PRO 10 -13.533 -2.482 1.336 61 HG2 PRO 10 1HG PRO 10 -11.109 -2.599 3.078 62 HG3 PRO 10 2HG PRO 10 -12.592 -1.648 3.283 63 HD2 PRO 10 1HD PRO 10 -12.151 -3.913 4.666 64 HD3 PRO 10 2HD PRO 10 -13.776 -3.449 4.129 65 H THR 11 H THR 11 -12.419 -5.931 -0.531 66 HA THR 11 HA THR 11 -9.649 -6.631 -0.028 67 HB THR 11 HB THR 11 -10.030 -8.185 -1.997 68 HG1 THR 11 HG1 THR 11 -11.837 -7.949 -3.059 69 HG21 THR 11 1HG2 THR 11 -11.852 -8.435 0.400 70 HG22 THR 11 2HG2 THR 11 -10.174 -8.971 0.307 71 HG23 THR 11 3HG2 THR 11 -11.405 -9.751 -0.685 72 H ALA 12 H ALA 12 -11.594 -5.035 -2.495 73 HA ALA 12 HA ALA 12 -9.529 -4.762 -4.407 74 HB1 ALA 12 1HB ALA 12 -10.999 -3.143 -5.493 75 HB2 ALA 12 2HB ALA 12 -12.025 -3.103 -4.061 76 HB3 ALA 12 3HB ALA 12 -11.888 -4.585 -5.006 77 H PHE 13 H PHE 13 -10.770 -2.601 -1.897 78 HA PHE 13 HA PHE 13 -9.264 -0.345 -2.580 79 HB2 PHE 13 1HB PHE 13 -11.222 -0.366 -1.043 80 HB3 PHE 13 2HB PHE 13 -10.212 -1.127 0.178 81 HD1 PHE 13 HD1 PHE 13 -10.495 1.906 -1.929 82 HD2 PHE 13 HD2 PHE 13 -8.944 0.170 1.629 83 HE1 PHE 13 HE1 PHE 13 -9.777 4.128 -1.162 84 HE2 PHE 13 HE2 PHE 13 -8.221 2.385 2.401 85 HZ PHE 13 HZ PHE 13 -8.637 4.372 1.004 86 H ARG 14 H ARG 14 -8.487 -3.106 -0.522 87 HA ARG 14 HA ARG 14 -5.979 -1.953 0.304 88 HB2 ARG 14 1HB ARG 14 -7.194 -3.477 1.809 89 HB3 ARG 14 2HB ARG 14 -7.004 -4.777 0.640 90 HG2 ARG 14 1HG ARG 14 -4.572 -4.632 0.882 91 HG3 ARG 14 2HG ARG 14 -4.775 -3.351 2.073 92 HD2 ARG 14 1HD ARG 14 -5.939 -4.888 3.560 93 HD3 ARG 14 2HD ARG 14 -5.828 -6.167 2.350 94 HE ARG 14 HE ARG 14 -3.245 -5.390 2.752 95 HH11 ARG 14 1HH1 ARG 14 -5.801 -6.573 4.830 96 HH12 ARG 14 2HH1 ARG 14 -4.706 -7.271 5.976 97 HH21 ARG 14 1HH2 ARG 14 -1.812 -6.340 4.229 98 HH22 ARG 14 2HH2 ARG 14 -2.439 -7.143 5.635 99 H GLN 15 H GLN 15 -7.126 -3.988 -2.253 100 HA GLN 15 HA GLN 15 -4.573 -5.062 -2.950 101 HB2 GLN 15 1HB GLN 15 -6.804 -6.091 -3.542 102 HB3 GLN 15 2HB GLN 15 -6.981 -4.823 -4.747 103 HG2 GLN 15 1HG GLN 15 -4.969 -5.582 -5.869 104 HG3 GLN 15 2HG GLN 15 -4.749 -6.835 -4.651 105 HE21 GLN 15 1HE2 GLN 15 -7.850 -5.897 -5.980 106 HE22 GLN 15 2HE2 GLN 15 -8.142 -7.375 -6.824 107 H ILE 16 H ILE 16 -6.468 -2.265 -3.888 108 HA ILE 16 HA ILE 16 -4.832 -1.358 -5.994 109 HB ILE 16 HB ILE 16 -6.518 0.237 -4.053 110 HG12 ILE 16 1HG1 ILE 16 -7.069 -0.719 -6.877 111 HG13 ILE 16 2HG1 ILE 16 -7.798 -1.369 -5.411 112 HG21 ILE 16 1HG2 ILE 16 -4.812 1.654 -5.061 113 HG22 ILE 16 2HG2 ILE 16 -6.407 2.051 -5.697 114 HG23 ILE 16 3HG2 ILE 16 -5.284 1.102 -6.668 115 HD11 ILE 16 1HD1 ILE 16 -9.315 0.124 -6.592 116 HD12 ILE 16 2HD1 ILE 16 -8.145 1.436 -6.441 117 HD13 ILE 16 3HD1 ILE 16 -8.900 0.756 -4.999 118 H GLY 17 H GLY 17 -4.653 -0.985 -2.500 119 HA2 GLY 17 1HA GLY 17 -2.278 0.619 -2.545 120 HA3 GLY 17 2HA GLY 17 -2.922 -0.253 -1.157 121 H ASN 18 H ASN 18 -0.619 -0.264 -3.690 122 HA ASN 18 HA ASN 18 -0.145 -3.104 -3.578 123 HB2 ASN 18 1HB ASN 18 1.681 -2.638 -5.196 124 HB3 ASN 18 2HB ASN 18 0.119 -2.029 -5.721 125 HD21 ASN 18 1HD2 ASN 18 -0.199 0.166 -5.905 126 HD22 ASN 18 2HD2 ASN 18 1.096 1.305 -5.821 127 H CYS 19 H CYS 19 2.388 -3.632 -3.581 128 HA CYS 19 HA CYS 19 3.158 -3.441 -0.892 129 HB2 CYS 19 1HB CYS 19 5.358 -4.384 -1.810 130 HB3 CYS 19 2HB CYS 19 3.901 -5.333 -2.069 131 HG CYS 19 HG CYS 19 5.075 -5.693 -4.430 132 H GLY 20 H GLY 20 4.756 -2.048 -3.751 133 HA2 GLY 20 1HA GLY 20 5.232 0.441 -2.430 134 HA3 GLY 20 2HA GLY 20 6.685 -0.544 -2.527 135 H ARG 21 H ARG 21 5.785 2.025 -3.836 136 HA ARG 21 HA ARG 21 5.687 1.379 -6.644 137 HB2 ARG 21 1HB ARG 21 4.487 3.316 -5.813 138 HB3 ARG 21 2HB ARG 21 5.966 3.996 -5.160 139 HG2 ARG 21 1HG ARG 21 6.830 4.358 -7.372 140 HG3 ARG 21 2HG ARG 21 5.431 3.548 -8.086 141 HD2 ARG 21 1HD ARG 21 5.322 6.053 -8.116 142 HD3 ARG 21 2HD ARG 21 3.956 5.262 -7.328 143 HE ARG 21 HE ARG 21 6.153 6.139 -5.620 144 HH11 ARG 21 1HH1 ARG 21 2.951 6.786 -6.882 145 HH12 ARG 21 2HH1 ARG 21 2.518 7.849 -5.583 146 HH21 ARG 21 1HH2 ARG 21 5.596 7.535 -3.917 147 HH22 ARG 21 2HH2 ARG 21 4.033 8.295 -3.902 148 H PHE 22 H PHE 22 8.047 2.112 -4.265 149 HA PHE 22 HA PHE 22 10.149 2.333 -6.286 150 HB2 PHE 22 1HB PHE 22 11.579 3.030 -4.346 151 HB3 PHE 22 2HB PHE 22 10.237 4.109 -4.678 152 HD1 PHE 22 HD1 PHE 22 8.283 4.145 -3.197 153 HD2 PHE 22 HD2 PHE 22 11.745 1.851 -2.280 154 HE1 PHE 22 HE1 PHE 22 7.546 3.974 -0.859 155 HE2 PHE 22 HE2 PHE 22 11.016 1.675 0.056 156 HZ PHE 22 HZ PHE 22 8.912 2.736 0.773 157 H ARG 23 H ARG 23 12.264 1.362 -4.587 158 HA ARG 23 HA ARG 23 12.118 -1.381 -5.192 159 HB2 ARG 23 1HB ARG 23 13.953 0.056 -3.265 160 HB3 ARG 23 2HB ARG 23 14.177 -1.594 -3.824 161 HG2 ARG 23 1HG ARG 23 14.463 -0.813 -6.103 162 HG3 ARG 23 2HG ARG 23 14.173 0.850 -5.585 163 HD2 ARG 23 1HD ARG 23 16.550 0.468 -5.822 164 HD3 ARG 23 2HD ARG 23 16.150 0.708 -4.124 165 HE ARG 23 HE ARG 23 16.454 -2.007 -5.214 166 HH11 ARG 23 1HH1 ARG 23 17.393 0.484 -2.935 167 HH12 ARG 23 2HH1 ARG 23 18.454 -0.557 -2.044 168 HH21 ARG 23 1HH2 ARG 23 17.872 -3.372 -4.041 169 HH22 ARG 23 2HH2 ARG 23 18.735 -2.738 -2.673 170 H VAL 24 H VAL 24 10.910 -2.845 -4.263 171 HA VAL 24 HA VAL 24 9.531 -2.398 -1.827 172 HB VAL 24 HB VAL 24 9.824 -4.988 -3.356 173 HG11 VAL 24 1HG1 VAL 24 8.993 -5.348 -1.104 174 HG12 VAL 24 2HG1 VAL 24 7.697 -5.592 -2.276 175 HG13 VAL 24 3HG1 VAL 24 7.767 -4.102 -1.335 176 HG21 VAL 24 1HG2 VAL 24 7.736 -2.823 -3.577 177 HG22 VAL 24 2HG2 VAL 24 7.686 -4.382 -4.399 178 HG23 VAL 24 3HG2 VAL 24 8.956 -3.222 -4.785 179 H ARG 25 H ARG 25 12.528 -3.990 -2.625 180 HA ARG 25 HA ARG 25 12.899 -5.515 -0.305 181 HB2 ARG 25 1HB ARG 25 14.400 -5.722 -2.222 182 HB3 ARG 25 2HB ARG 25 14.941 -4.063 -2.008 183 HG2 ARG 25 1HG ARG 25 15.921 -4.662 0.151 184 HG3 ARG 25 2HG ARG 25 15.397 -6.332 -0.079 185 HD2 ARG 25 1HD ARG 25 16.803 -6.539 -2.036 186 HD3 ARG 25 2HD ARG 25 17.251 -4.837 -1.929 187 HE ARG 25 HE ARG 25 17.892 -6.412 0.414 188 HH11 ARG 25 1HH1 ARG 25 19.004 -5.280 -2.703 189 HH12 ARG 25 2HH1 ARG 25 20.683 -5.395 -2.290 190 HH21 ARG 25 1HH2 ARG 25 20.111 -6.555 0.964 191 HH22 ARG 25 2HH2 ARG 25 21.310 -6.124 -0.212 192 H CYS 26 H CYS 26 13.212 -2.095 -0.919 193 HA CYS 26 HA CYS 26 14.669 -1.451 1.442 194 HB2 CYS 26 1HB CYS 26 14.619 -0.001 -0.575 195 HB3 CYS 26 2HB CYS 26 12.920 0.342 -0.263 196 HG CYS 26 HG CYS 26 14.849 1.007 2.366 197 H CYS 27 H CYS 27 11.364 -2.113 0.770 198 HA CYS 27 HA CYS 27 10.379 -0.866 3.195 199 HB2 CYS 27 1HB CYS 27 8.968 -2.755 1.298 200 HB3 CYS 27 2HB CYS 27 8.210 -1.767 2.541 201 HG CYS 27 HG CYS 27 9.413 0.590 1.117 202 H ARG 28 H ARG 28 11.898 -3.742 2.349 203 HA ARG 28 HA ARG 28 10.594 -5.269 4.477 204 HB2 ARG 28 1HB ARG 28 12.361 -6.110 2.183 205 HB3 ARG 28 2HB ARG 28 11.856 -7.209 3.459 206 HG2 ARG 28 1HG ARG 28 9.549 -6.952 2.842 207 HG3 ARG 28 2HG ARG 28 9.963 -5.700 1.668 208 HD2 ARG 28 1HD ARG 28 9.562 -7.914 0.631 209 HD3 ARG 28 2HD ARG 28 11.182 -7.287 0.330 210 HE ARG 28 HE ARG 28 10.913 -9.084 2.595 211 HH11 ARG 28 1HH1 ARG 28 11.697 -8.729 -0.791 212 HH12 ARG 28 2HH1 ARG 28 12.656 -10.175 -0.857 213 HH21 ARG 28 1HH2 ARG 28 12.164 -10.998 2.512 214 HH22 ARG 28 2HH2 ARG 28 12.904 -11.473 1.016 215 H ILE 29 H ILE 29 13.853 -4.414 3.319 216 HA ILE 29 HA ILE 29 14.949 -5.411 5.840 217 HB ILE 29 HB ILE 29 17.137 -5.214 4.858 218 HG12 ILE 29 1HG1 ILE 29 15.832 -4.011 2.403 219 HG13 ILE 29 2HG1 ILE 29 16.674 -3.072 3.633 220 HG21 ILE 29 1HG2 ILE 29 16.897 -6.714 2.912 221 HG22 ILE 29 2HG2 ILE 29 15.165 -6.391 2.900 222 HG23 ILE 29 3HG2 ILE 29 15.900 -7.210 4.276 223 HD11 ILE 29 1HD1 ILE 29 18.733 -4.279 3.149 224 HD12 ILE 29 2HD1 ILE 29 18.095 -3.480 1.714 225 HD13 ILE 29 3HD1 ILE 29 17.895 -5.219 1.915 226 H ARG 30 H ARG 30 16.495 -4.111 7.023 227 HA ARG 30 HA ARG 30 16.413 -1.244 6.586 228 HB2 ARG 30 1HB ARG 30 15.828 -0.873 9.027 229 HB3 ARG 30 2HB ARG 30 14.514 -1.415 7.995 230 HG2 ARG 30 1HG ARG 30 14.759 -3.677 8.832 231 HG3 ARG 30 2HG ARG 30 16.120 -3.172 9.836 232 HD2 ARG 30 1HD ARG 30 14.639 -1.639 11.050 233 HD3 ARG 30 2HD ARG 30 13.284 -2.165 10.054 234 HE ARG 30 HE ARG 30 14.642 -4.287 11.469 235 HH11 ARG 30 1HH1 ARG 30 12.051 -1.938 11.547 236 HH12 ARG 30 2HH1 ARG 30 11.154 -2.785 12.765 237 HH21 ARG 30 1HH2 ARG 30 13.459 -5.405 13.074 238 HH22 ARG 30 2HH2 ARG 30 11.944 -4.759 13.622 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 -24.175 -7.385 10.208 2 H2 ASN 1 2H ASN 1 -22.811 -6.385 10.227 3 H3 ASN 1 3H ASN 1 -22.627 -8.063 10.164 4 HA ASN 1 HA ASN 1 -22.204 -7.113 8.016 5 HB2 ASN 1 1HB ASN 1 -23.304 -9.345 8.204 6 HB3 ASN 1 2HB ASN 1 -24.866 -8.552 8.059 7 HD21 ASN 1 1HD2 ASN 1 -21.953 -9.468 6.408 8 HD22 ASN 1 2HD2 ASN 1 -22.533 -9.186 4.803 9 H GLY 2 H GLY 2 -24.753 -5.686 9.710 10 HA2 GLY 2 1HA GLY 2 -26.146 -4.423 7.590 11 HA3 GLY 2 2HA GLY 2 -26.133 -3.908 9.270 12 H ALA 3 H ALA 3 -23.348 -3.476 9.522 13 HA ALA 3 HA ALA 3 -23.200 -0.831 8.491 14 HB1 ALA 3 1HB ALA 3 -21.021 -2.488 9.758 15 HB2 ALA 3 2HB ALA 3 -22.178 -1.481 10.628 16 HB3 ALA 3 3HB ALA 3 -21.008 -0.738 9.538 17 H ILE 4 H ILE 4 -21.450 -3.831 7.722 18 HA ILE 4 HA ILE 4 -20.833 -2.678 5.093 19 HB ILE 4 HB ILE 4 -18.630 -3.888 5.133 20 HG12 ILE 4 1HG1 ILE 4 -19.199 -4.055 8.106 21 HG13 ILE 4 2HG1 ILE 4 -19.099 -5.423 6.996 22 HG21 ILE 4 1HG2 ILE 4 -17.478 -2.147 6.429 23 HG22 ILE 4 2HG2 ILE 4 -19.018 -1.674 7.144 24 HG23 ILE 4 3HG2 ILE 4 -18.755 -1.480 5.412 25 HD11 ILE 4 1HD1 ILE 4 -16.844 -3.554 7.703 26 HD12 ILE 4 2HD1 ILE 4 -16.741 -4.934 6.608 27 HD13 ILE 4 3HD1 ILE 4 -17.074 -5.189 8.320 28 H CYS 5 H CYS 5 -21.506 -3.901 3.489 29 HA CYS 5 HA CYS 5 -21.978 -6.764 3.981 30 HB2 CYS 5 1HB CYS 5 -23.204 -4.952 1.892 31 HB3 CYS 5 2HB CYS 5 -23.572 -6.659 2.110 32 HG CYS 5 HG CYS 5 -24.090 -5.480 5.015 33 H TRP 6 H TRP 6 -19.537 -5.141 3.037 34 HA TRP 6 HA TRP 6 -19.082 -6.454 0.458 35 HB2 TRP 6 1HB TRP 6 -17.674 -4.145 1.808 36 HB3 TRP 6 2HB TRP 6 -17.097 -4.895 0.329 37 HD1 TRP 6 HD1 TRP 6 -19.789 -2.543 1.638 38 HE1 TRP 6 HE1 TRP 6 -20.997 -1.459 -0.360 39 HE3 TRP 6 HE3 TRP 6 -17.763 -5.325 -2.139 40 HZ2 TRP 6 HZ2 TRP 6 -21.076 -1.749 -3.166 41 HZ3 TRP 6 HZ3 TRP 6 -18.460 -4.857 -4.447 42 HH2 TRP 6 HH2 TRP 6 -20.081 -3.108 -4.949 43 H GLY 7 H GLY 7 -19.042 -7.993 2.828 44 HA2 GLY 7 1HA GLY 7 -17.717 -9.809 3.468 45 HA3 GLY 7 2HA GLY 7 -16.348 -9.069 2.647 46 HA PRO 8 HA PRO 8 -15.908 -8.429 7.303 47 HB2 PRO 8 1HB PRO 8 -13.315 -9.751 6.828 48 HB3 PRO 8 2HB PRO 8 -14.514 -10.052 8.091 49 HG2 PRO 8 1HG PRO 8 -14.126 -11.789 6.088 50 HG3 PRO 8 2HG PRO 8 -15.736 -11.499 6.774 51 HD2 PRO 8 1HD PRO 8 -14.542 -10.448 4.233 52 HD3 PRO 8 2HD PRO 8 -16.182 -11.053 4.538 53 H CYS 9 H CYS 9 -13.778 -8.195 4.529 54 HA CYS 9 HA CYS 9 -13.110 -5.476 5.184 55 HB2 CYS 9 1HB CYS 9 -10.612 -5.960 5.022 56 HB3 CYS 9 2HB CYS 9 -11.405 -6.448 6.516 57 HG CYS 9 HG CYS 9 -11.085 -8.756 4.053 58 HA PRO 10 HA PRO 10 -13.744 -5.714 0.714 59 HB2 PRO 10 1HB PRO 10 -12.811 -2.908 1.129 60 HB3 PRO 10 2HB PRO 10 -14.159 -3.508 0.156 61 HG2 PRO 10 1HG PRO 10 -14.624 -2.384 2.509 62 HG3 PRO 10 2HG PRO 10 -15.524 -3.834 2.016 63 HD2 PRO 10 1HD PRO 10 -13.275 -3.568 3.963 64 HD3 PRO 10 2HD PRO 10 -14.689 -4.637 4.011 65 H THR 11 H THR 11 -12.261 -6.558 -0.578 66 HA THR 11 HA THR 11 -9.454 -6.179 0.057 67 HB THR 11 HB THR 11 -10.654 -8.047 -1.991 68 HG1 THR 11 HG1 THR 11 -11.543 -8.770 -0.141 69 HG21 THR 11 1HG2 THR 11 -8.027 -8.097 -0.494 70 HG22 THR 11 2HG2 THR 11 -8.239 -7.704 -2.199 71 HG23 THR 11 3HG2 THR 11 -8.595 -9.331 -1.619 72 H ALA 12 H ALA 12 -11.738 -5.115 -2.277 73 HA ALA 12 HA ALA 12 -10.169 -4.828 -4.558 74 HB1 ALA 12 1HB ALA 12 -12.393 -3.010 -3.639 75 HB2 ALA 12 2HB ALA 12 -12.599 -4.519 -4.528 76 HB3 ALA 12 3HB ALA 12 -11.777 -3.155 -5.284 77 H PHE 13 H PHE 13 -10.714 -2.446 -1.956 78 HA PHE 13 HA PHE 13 -8.920 -0.546 -3.086 79 HB2 PHE 13 1HB PHE 13 -10.727 0.155 -1.601 80 HB3 PHE 13 2HB PHE 13 -10.013 -0.751 -0.274 81 HD1 PHE 13 HD1 PHE 13 -8.537 0.280 1.163 82 HD2 PHE 13 HD2 PHE 13 -9.275 2.004 -2.652 83 HE1 PHE 13 HE1 PHE 13 -7.199 2.239 1.798 84 HE2 PHE 13 HE2 PHE 13 -7.938 3.970 -2.026 85 HZ PHE 13 HZ PHE 13 -6.896 4.090 0.204 86 H ARG 14 H ARG 14 -8.593 -3.142 -0.756 87 HA ARG 14 HA ARG 14 -6.035 -2.372 0.217 88 HB2 ARG 14 1HB ARG 14 -7.424 -5.058 0.224 89 HB3 ARG 14 2HB ARG 14 -5.905 -4.735 1.045 90 HG2 ARG 14 1HG ARG 14 -7.057 -3.003 2.396 91 HG3 ARG 14 2HG ARG 14 -8.574 -3.467 1.624 92 HD2 ARG 14 1HD ARG 14 -6.808 -5.280 3.274 93 HD3 ARG 14 2HD ARG 14 -8.307 -4.532 3.822 94 HE ARG 14 HE ARG 14 -9.251 -5.859 1.777 95 HH11 ARG 14 1HH1 ARG 14 -6.865 -6.905 4.111 96 HH12 ARG 14 2HH1 ARG 14 -7.231 -8.590 3.924 97 HH21 ARG 14 1HH2 ARG 14 -9.749 -8.103 1.540 98 HH22 ARG 14 2HH2 ARG 14 -8.869 -9.265 2.484 99 H GLN 15 H GLN 15 -7.148 -4.094 -2.562 100 HA GLN 15 HA GLN 15 -4.647 -5.229 -3.315 101 HB2 GLN 15 1HB GLN 15 -6.792 -6.084 -4.161 102 HB3 GLN 15 2HB GLN 15 -7.080 -4.561 -4.984 103 HG2 GLN 15 1HG GLN 15 -5.114 -4.958 -6.384 104 HG3 GLN 15 2HG GLN 15 -4.865 -6.504 -5.573 105 HE21 GLN 15 1HE2 GLN 15 -6.864 -4.711 -7.774 106 HE22 GLN 15 2HE2 GLN 15 -7.720 -6.066 -8.419 107 H ILE 16 H ILE 16 -6.233 -2.170 -3.772 108 HA ILE 16 HA ILE 16 -4.392 -1.156 -5.717 109 HB ILE 16 HB ILE 16 -6.381 0.245 -3.919 110 HG12 ILE 16 1HG1 ILE 16 -6.438 -0.446 -6.867 111 HG13 ILE 16 2HG1 ILE 16 -7.420 -1.185 -5.603 112 HG21 ILE 16 1HG2 ILE 16 -4.565 1.769 -4.466 113 HG22 ILE 16 2HG2 ILE 16 -6.042 2.231 -5.312 114 HG23 ILE 16 3HG2 ILE 16 -4.751 1.399 -6.180 115 HD11 ILE 16 1HD1 ILE 16 -8.544 0.944 -5.226 116 HD12 ILE 16 2HD1 ILE 16 -8.698 0.421 -6.905 117 HD13 ILE 16 3HD1 ILE 16 -7.552 1.693 -6.479 118 H GLY 17 H GLY 17 -4.810 -0.898 -2.221 119 HA2 GLY 17 1HA GLY 17 -3.183 -0.534 -0.602 120 HA3 GLY 17 2HA GLY 17 -1.999 -0.302 -1.881 121 H ASN 18 H ASN 18 -2.730 1.692 -3.304 122 HA ASN 18 HA ASN 18 -2.927 3.920 -3.541 123 HB2 ASN 18 1HB ASN 18 -5.192 3.508 -2.592 124 HB3 ASN 18 2HB ASN 18 -4.546 3.849 -0.994 125 HD21 ASN 18 1HD2 ASN 18 -3.589 5.552 -3.915 126 HD22 ASN 18 2HD2 ASN 18 -4.284 7.068 -3.469 127 H CYS 19 H CYS 19 -3.052 4.144 -0.016 128 HA CYS 19 HA CYS 19 -1.001 6.102 0.007 129 HB2 CYS 19 1HB CYS 19 -1.178 5.870 2.499 130 HB3 CYS 19 2HB CYS 19 -2.703 6.204 1.689 131 HG CYS 19 HG CYS 19 -1.832 3.632 3.587 132 H GLY 20 H GLY 20 -1.078 2.654 0.519 133 HA2 GLY 20 1HA GLY 20 1.774 2.681 1.206 134 HA3 GLY 20 2HA GLY 20 0.689 1.314 1.401 135 H ARG 21 H ARG 21 0.496 3.069 -1.558 136 HA ARG 21 HA ARG 21 1.625 0.761 -2.939 137 HB2 ARG 21 1HB ARG 21 -0.555 1.517 -3.711 138 HB3 ARG 21 2HB ARG 21 0.081 3.130 -4.008 139 HG2 ARG 21 1HG ARG 21 1.343 2.422 -5.844 140 HG3 ARG 21 2HG ARG 21 1.205 0.722 -5.395 141 HD2 ARG 21 1HD ARG 21 -0.217 1.222 -7.304 142 HD3 ARG 21 2HD ARG 21 -1.190 0.786 -5.901 143 HE ARG 21 HE ARG 21 -0.889 3.593 -6.033 144 HH11 ARG 21 1HH1 ARG 21 -2.541 0.942 -7.617 145 HH12 ARG 21 2HH1 ARG 21 -3.870 1.923 -8.153 146 HH21 ARG 21 1HH2 ARG 21 -2.640 4.887 -6.739 147 HH22 ARG 21 2HH2 ARG 21 -3.922 4.161 -7.660 148 H PHE 22 H PHE 22 2.289 4.102 -2.296 149 HA PHE 22 HA PHE 22 4.624 4.004 -4.060 150 HB2 PHE 22 1HB PHE 22 4.784 6.450 -3.621 151 HB3 PHE 22 2HB PHE 22 3.280 5.974 -4.392 152 HD1 PHE 22 HD1 PHE 22 4.830 7.227 -1.328 153 HD2 PHE 22 HD2 PHE 22 1.178 6.170 -3.238 154 HE1 PHE 22 HE1 PHE 22 3.574 8.397 0.430 155 HE2 PHE 22 HE2 PHE 22 -0.082 7.333 -1.483 156 HZ PHE 22 HZ PHE 22 1.113 8.454 0.355 157 H ARG 23 H ARG 23 6.701 4.455 -3.277 158 HA ARG 23 HA ARG 23 7.200 3.462 -0.653 159 HB2 ARG 23 1HB ARG 23 9.559 3.850 -1.150 160 HB3 ARG 23 2HB ARG 23 8.766 3.041 -2.491 161 HG2 ARG 23 1HG ARG 23 8.609 5.203 -3.663 162 HG3 ARG 23 2HG ARG 23 9.484 5.959 -2.332 163 HD2 ARG 23 1HD ARG 23 11.375 4.416 -2.753 164 HD3 ARG 23 2HD ARG 23 10.503 3.768 -4.143 165 HE ARG 23 HE ARG 23 10.845 6.624 -4.237 166 HH11 ARG 23 1HH1 ARG 23 12.382 3.551 -4.941 167 HH12 ARG 23 2HH1 ARG 23 13.407 4.206 -6.175 168 HH21 ARG 23 1HH2 ARG 23 12.194 7.480 -5.855 169 HH22 ARG 23 2HH2 ARG 23 13.282 6.437 -6.715 170 H VAL 24 H VAL 24 8.214 4.549 1.077 171 HA VAL 24 HA VAL 24 6.823 6.990 1.598 172 HB VAL 24 HB VAL 24 8.841 5.638 3.386 173 HG11 VAL 24 1HG1 VAL 24 7.519 6.622 5.198 174 HG12 VAL 24 2HG1 VAL 24 6.473 7.397 4.009 175 HG13 VAL 24 3HG1 VAL 24 8.170 7.859 4.123 176 HG21 VAL 24 1HG2 VAL 24 6.939 4.415 4.359 177 HG22 VAL 24 2HG2 VAL 24 7.227 3.977 2.676 178 HG23 VAL 24 3HG2 VAL 24 5.897 5.057 3.091 179 H ARG 25 H ARG 25 9.667 6.505 0.032 180 HA ARG 25 HA ARG 25 11.428 8.382 1.117 181 HB2 ARG 25 1HB ARG 25 11.049 7.406 -1.705 182 HB3 ARG 25 2HB ARG 25 12.290 8.575 -1.286 183 HG2 ARG 25 1HG ARG 25 13.252 6.953 0.297 184 HG3 ARG 25 2HG ARG 25 12.031 5.780 -0.198 185 HD2 ARG 25 1HD ARG 25 14.163 5.410 -1.339 186 HD3 ARG 25 2HD ARG 25 12.875 5.815 -2.470 187 HE ARG 25 HE ARG 25 14.071 8.208 -1.934 188 HH11 ARG 25 1HH1 ARG 25 15.182 5.105 -3.116 189 HH12 ARG 25 2HH1 ARG 25 16.474 5.784 -4.051 190 HH21 ARG 25 1HH2 ARG 25 15.767 9.104 -3.174 191 HH22 ARG 25 2HH2 ARG 25 16.813 8.055 -4.076 192 H CYS 26 H CYS 26 8.705 8.829 -1.088 193 HA CYS 26 HA CYS 26 9.325 11.588 -1.580 194 HB2 CYS 26 1HB CYS 26 7.072 11.637 -2.650 195 HB3 CYS 26 2HB CYS 26 8.115 10.360 -3.272 196 HG CYS 26 HG CYS 26 5.131 10.140 -1.876 197 H CYS 27 H CYS 27 8.089 9.979 1.055 198 HA CYS 27 HA CYS 27 6.237 12.097 1.823 199 HB2 CYS 27 1HB CYS 27 5.680 9.632 2.068 200 HB3 CYS 27 2HB CYS 27 6.870 9.580 3.363 201 HG CYS 27 HG CYS 27 4.723 12.051 3.838 202 H ARG 28 H ARG 28 9.482 11.591 2.043 203 HA ARG 28 HA ARG 28 9.973 12.383 4.730 204 HB2 ARG 28 1HB ARG 28 12.268 12.794 4.034 205 HB3 ARG 28 2HB ARG 28 11.701 11.287 3.330 206 HG2 ARG 28 1HG ARG 28 11.337 12.416 1.197 207 HG3 ARG 28 2HG ARG 28 11.897 13.933 1.904 208 HD2 ARG 28 1HD ARG 28 13.516 11.402 1.623 209 HD3 ARG 28 2HD ARG 28 13.672 12.843 0.618 210 HE ARG 28 HE ARG 28 14.042 13.761 3.151 211 HH11 ARG 28 1HH1 ARG 28 15.539 11.237 1.243 212 HH12 ARG 28 2HH1 ARG 28 17.080 11.390 2.024 213 HH21 ARG 28 1HH2 ARG 28 16.064 13.953 4.179 214 HH22 ARG 28 2HH2 ARG 28 17.376 12.930 3.691 215 H ILE 29 H ILE 29 9.327 14.064 1.766 216 HA ILE 29 HA ILE 29 9.899 16.685 2.831 217 HB ILE 29 HB ILE 29 8.337 15.959 0.337 218 HG12 ILE 29 1HG1 ILE 29 11.280 16.634 0.593 219 HG13 ILE 29 2HG1 ILE 29 10.640 15.011 0.345 220 HG21 ILE 29 1HG2 ILE 29 9.716 18.526 1.135 221 HG22 ILE 29 2HG2 ILE 29 7.975 18.252 1.093 222 HG23 ILE 29 3HG2 ILE 29 8.907 18.225 -0.403 223 HD11 ILE 29 1HD1 ILE 29 9.707 15.706 -1.798 224 HD12 ILE 29 2HD1 ILE 29 11.449 15.965 -1.733 225 HD13 ILE 29 3HD1 ILE 29 10.349 17.331 -1.550 226 H ARG 30 H ARG 30 6.985 14.915 1.825 227 HA ARG 30 HA ARG 30 5.474 15.796 4.054 228 HB2 ARG 30 1HB ARG 30 3.749 17.055 2.718 229 HB3 ARG 30 2HB ARG 30 5.278 17.889 2.941 230 HG2 ARG 30 1HG ARG 30 5.937 17.114 0.661 231 HG3 ARG 30 2HG ARG 30 4.292 16.504 0.467 232 HD2 ARG 30 1HD ARG 30 4.517 18.710 -0.531 233 HD3 ARG 30 2HD ARG 30 3.410 18.753 0.839 234 HE ARG 30 HE ARG 30 5.543 19.545 2.087 235 HH11 ARG 30 1HH1 ARG 30 4.661 20.345 -1.200 236 HH12 ARG 30 2HH1 ARG 30 5.450 21.888 -1.174 237 HH21 ARG 30 1HH2 ARG 30 6.613 21.560 2.120 238 HH22 ARG 30 2HH2 ARG 30 6.574 22.579 0.717 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 -8.615 -10.621 12.873 2 H2 ASN 1 2H ASN 1 -8.335 -11.961 11.886 3 H3 ASN 1 3H ASN 1 -9.725 -11.895 12.844 4 HA ASN 1 HA ASN 1 -10.265 -11.435 10.560 5 HB2 ASN 1 1HB ASN 1 -10.415 -8.999 12.354 6 HB3 ASN 1 2HB ASN 1 -11.387 -9.252 10.913 7 HD21 ASN 1 1HD2 ASN 1 -13.070 -10.725 10.962 8 HD22 ASN 1 2HD2 ASN 1 -13.668 -11.398 12.440 9 H GLY 2 H GLY 2 -9.970 -10.165 8.675 10 HA2 GLY 2 1HA GLY 2 -8.931 -8.361 7.491 11 HA3 GLY 2 2HA GLY 2 -7.665 -8.334 8.710 12 H ALA 3 H ALA 3 -7.889 -11.464 8.332 13 HA ALA 3 HA ALA 3 -5.686 -11.519 6.430 14 HB1 ALA 3 1HB ALA 3 -5.323 -13.795 7.195 15 HB2 ALA 3 2HB ALA 3 -6.826 -13.745 8.116 16 HB3 ALA 3 3HB ALA 3 -5.478 -12.706 8.573 17 H ILE 4 H ILE 4 -9.005 -11.922 6.379 18 HA ILE 4 HA ILE 4 -9.019 -13.881 4.240 19 HB ILE 4 HB ILE 4 -10.757 -14.016 5.962 20 HG12 ILE 4 1HG1 ILE 4 -12.767 -14.028 4.431 21 HG13 ILE 4 2HG1 ILE 4 -11.739 -13.309 3.192 22 HG21 ILE 4 1HG2 ILE 4 -11.685 -11.331 4.959 23 HG22 ILE 4 2HG2 ILE 4 -10.960 -11.664 6.530 24 HG23 ILE 4 3HG2 ILE 4 -12.535 -12.346 6.124 25 HD11 ILE 4 1HD1 ILE 4 -11.348 -15.998 4.489 26 HD12 ILE 4 2HD1 ILE 4 -10.281 -15.275 3.287 27 HD13 ILE 4 3HD1 ILE 4 -11.938 -15.691 2.856 28 H CYS 5 H CYS 5 -8.731 -13.309 2.212 29 HA CYS 5 HA CYS 5 -8.929 -10.539 1.397 30 HB2 CYS 5 1HB CYS 5 -8.242 -12.984 -0.249 31 HB3 CYS 5 2HB CYS 5 -7.986 -11.307 -0.715 32 HG CYS 5 HG CYS 5 -6.476 -11.611 2.107 33 H TRP 6 H TRP 6 -10.936 -13.254 1.448 34 HA TRP 6 HA TRP 6 -12.735 -12.063 -0.556 35 HB2 TRP 6 1HB TRP 6 -12.584 -14.956 0.326 36 HB3 TRP 6 2HB TRP 6 -13.653 -14.307 -0.907 37 HD1 TRP 6 HD1 TRP 6 -10.142 -15.576 -0.382 38 HE1 TRP 6 HE1 TRP 6 -8.889 -15.590 -2.629 39 HE3 TRP 6 HE3 TRP 6 -13.517 -12.977 -3.207 40 HZ2 TRP 6 HZ2 TRP 6 -9.284 -14.630 -5.255 41 HZ3 TRP 6 HZ3 TRP 6 -13.002 -12.568 -5.575 42 HH2 TRP 6 HH2 TRP 6 -10.931 -13.378 -6.573 43 H GLY 7 H GLY 7 -12.631 -11.172 2.121 44 HA2 GLY 7 1HA GLY 7 -15.163 -12.249 3.195 45 HA3 GLY 7 2HA GLY 7 -13.836 -11.725 4.222 46 HA PRO 8 HA PRO 8 -16.904 -8.235 3.888 47 HB2 PRO 8 1HB PRO 8 -15.971 -7.821 6.663 48 HB3 PRO 8 2HB PRO 8 -17.619 -7.892 6.031 49 HG2 PRO 8 1HG PRO 8 -16.609 -9.896 7.485 50 HG3 PRO 8 2HG PRO 8 -17.696 -10.204 6.119 51 HD2 PRO 8 1HD PRO 8 -14.717 -10.461 6.265 52 HD3 PRO 8 2HD PRO 8 -15.901 -11.519 5.472 53 H CYS 9 H CYS 9 -13.644 -8.464 5.133 54 HA CYS 9 HA CYS 9 -12.920 -5.764 5.141 55 HB2 CYS 9 1HB CYS 9 -11.154 -8.115 4.425 56 HB3 CYS 9 2HB CYS 9 -10.631 -6.562 5.069 57 HG CYS 9 HG CYS 9 -12.613 -7.425 7.328 58 HA PRO 10 HA PRO 10 -13.329 -4.590 0.906 59 HB2 PRO 10 1HB PRO 10 -11.186 -2.785 0.885 60 HB3 PRO 10 2HB PRO 10 -12.862 -2.412 1.291 61 HG2 PRO 10 1HG PRO 10 -10.554 -2.972 3.083 62 HG3 PRO 10 2HG PRO 10 -11.908 -1.850 3.308 63 HD2 PRO 10 1HD PRO 10 -11.800 -4.174 4.621 64 HD3 PRO 10 2HD PRO 10 -13.344 -3.536 4.021 65 H THR 11 H THR 11 -12.723 -5.839 -0.708 66 HA THR 11 HA THR 11 -10.150 -7.162 -0.617 67 HB THR 11 HB THR 11 -12.259 -8.421 -1.071 68 HG1 THR 11 HG1 THR 11 -10.781 -9.692 -1.875 69 HG21 THR 11 1HG2 THR 11 -12.166 -6.972 -3.719 70 HG22 THR 11 2HG2 THR 11 -13.404 -6.791 -2.478 71 HG23 THR 11 3HG2 THR 11 -13.226 -8.325 -3.329 72 H ALA 12 H ALA 12 -11.566 -4.501 -2.235 73 HA ALA 12 HA ALA 12 -9.696 -4.676 -4.476 74 HB1 ALA 12 1HB ALA 12 -11.948 -2.721 -4.032 75 HB2 ALA 12 2HB ALA 12 -12.057 -4.206 -4.974 76 HB3 ALA 12 3HB ALA 12 -10.993 -2.904 -5.502 77 H PHE 13 H PHE 13 -10.640 -2.426 -1.892 78 HA PHE 13 HA PHE 13 -8.801 -0.411 -2.586 79 HB2 PHE 13 1HB PHE 13 -9.954 -0.962 0.150 80 HB3 PHE 13 2HB PHE 13 -9.265 0.554 -0.410 81 HD1 PHE 13 HD1 PHE 13 -12.172 -0.541 0.583 82 HD2 PHE 13 HD2 PHE 13 -10.464 0.869 -3.047 83 HE1 PHE 13 HE1 PHE 13 -14.397 0.152 -0.188 84 HE2 PHE 13 HE2 PHE 13 -12.687 1.568 -3.824 85 HZ PHE 13 HZ PHE 13 -14.658 1.209 -2.395 86 H ARG 14 H ARG 14 -8.538 -3.186 -0.424 87 HA ARG 14 HA ARG 14 -5.934 -2.418 0.529 88 HB2 ARG 14 1HB ARG 14 -7.420 -5.040 0.764 89 HB3 ARG 14 2HB ARG 14 -5.900 -4.677 1.564 90 HG2 ARG 14 1HG ARG 14 -7.026 -2.833 2.775 91 HG3 ARG 14 2HG ARG 14 -8.547 -3.315 2.023 92 HD2 ARG 14 1HD ARG 14 -6.845 -4.961 3.895 93 HD3 ARG 14 2HD ARG 14 -8.431 -4.271 4.236 94 HE ARG 14 HE ARG 14 -9.059 -5.805 2.190 95 HH11 ARG 14 1HH1 ARG 14 -6.962 -6.505 4.903 96 HH12 ARG 14 2HH1 ARG 14 -7.245 -8.217 4.854 97 HH21 ARG 14 1HH2 ARG 14 -9.444 -8.066 2.120 98 HH22 ARG 14 2HH2 ARG 14 -8.656 -9.108 3.260 99 H GLN 15 H GLN 15 -7.104 -3.802 -2.283 100 HA GLN 15 HA GLN 15 -4.731 -5.365 -2.877 101 HB2 GLN 15 1HB GLN 15 -7.250 -5.767 -3.615 102 HB3 GLN 15 2HB GLN 15 -6.810 -4.677 -4.916 103 HG2 GLN 15 1HG GLN 15 -5.515 -7.315 -4.277 104 HG3 GLN 15 2HG GLN 15 -6.600 -6.970 -5.619 105 HE21 GLN 15 1HE2 GLN 15 -5.855 -5.630 -7.311 106 HE22 GLN 15 2HE2 GLN 15 -4.164 -5.457 -7.622 107 H ILE 16 H ILE 16 -6.368 -2.423 -3.975 108 HA ILE 16 HA ILE 16 -4.358 -1.663 -5.826 109 HB ILE 16 HB ILE 16 -6.411 0.070 -4.435 110 HG12 ILE 16 1HG1 ILE 16 -6.480 -1.247 -7.165 111 HG13 ILE 16 2HG1 ILE 16 -7.402 -1.775 -5.759 112 HG21 ILE 16 1HG2 ILE 16 -6.040 1.647 -6.273 113 HG22 ILE 16 2HG2 ILE 16 -4.769 0.605 -6.911 114 HG23 ILE 16 3HG2 ILE 16 -4.566 1.384 -5.343 115 HD11 ILE 16 1HD1 ILE 16 -8.641 0.309 -5.764 116 HD12 ILE 16 2HD1 ILE 16 -8.759 -0.491 -7.331 117 HD13 ILE 16 3HD1 ILE 16 -7.685 0.892 -7.125 118 H GLY 17 H GLY 17 -5.170 -0.428 -2.581 119 HA2 GLY 17 1HA GLY 17 -2.582 -0.284 -1.605 120 HA3 GLY 17 2HA GLY 17 -2.886 1.247 -2.414 121 H ASN 18 H ASN 18 -3.069 -0.361 0.460 122 HA ASN 18 HA ASN 18 -4.414 1.835 1.729 123 HB2 ASN 18 1HB ASN 18 -6.371 0.491 1.100 124 HB3 ASN 18 2HB ASN 18 -5.661 -0.921 1.868 125 HD21 ASN 18 1HD2 ASN 18 -7.155 2.180 2.403 126 HD22 ASN 18 2HD2 ASN 18 -7.510 1.936 4.075 127 H CYS 19 H CYS 19 -3.838 -1.585 2.500 128 HA CYS 19 HA CYS 19 -1.536 -1.029 4.087 129 HB2 CYS 19 1HB CYS 19 -3.456 -0.287 5.565 130 HB3 CYS 19 2HB CYS 19 -4.000 -1.959 5.577 131 HG CYS 19 HG CYS 19 -0.813 -1.342 6.534 132 H GLY 20 H GLY 20 -1.859 -2.644 1.932 133 HA2 GLY 20 1HA GLY 20 -1.749 -5.338 3.101 134 HA3 GLY 20 2HA GLY 20 -2.791 -5.045 1.720 135 H ARG 21 H ARG 21 0.524 -3.940 2.437 136 HA ARG 21 HA ARG 21 1.385 -5.255 -0.052 137 HB2 ARG 21 1HB ARG 21 2.833 -3.195 1.618 138 HB3 ARG 21 2HB ARG 21 3.405 -3.866 0.101 139 HG2 ARG 21 1HG ARG 21 0.895 -2.240 0.414 140 HG3 ARG 21 2HG ARG 21 2.450 -1.596 -0.101 141 HD2 ARG 21 1HD ARG 21 1.280 -1.948 -2.091 142 HD3 ARG 21 2HD ARG 21 2.351 -3.341 -1.969 143 HE ARG 21 HE ARG 21 0.251 -4.453 -0.956 144 HH11 ARG 21 1HH1 ARG 21 0.238 -2.046 -3.495 145 HH12 ARG 21 2HH1 ARG 21 -1.235 -2.623 -4.207 146 HH21 ARG 21 1HH2 ARG 21 -1.675 -5.230 -1.892 147 HH22 ARG 21 2HH2 ARG 21 -2.326 -4.437 -3.296 148 H PHE 22 H PHE 22 1.234 -5.758 3.178 149 HA PHE 22 HA PHE 22 3.290 -7.811 3.113 150 HB2 PHE 22 1HB PHE 22 4.124 -7.059 5.369 151 HB3 PHE 22 2HB PHE 22 4.516 -5.963 4.052 152 HD1 PHE 22 HD1 PHE 22 3.419 -3.792 3.875 153 HD2 PHE 22 HD2 PHE 22 2.613 -6.428 7.112 154 HE1 PHE 22 HE1 PHE 22 2.396 -1.940 5.122 155 HE2 PHE 22 HE2 PHE 22 1.584 -4.585 8.363 156 HZ PHE 22 HZ PHE 22 1.472 -2.333 7.372 157 H ARG 23 H ARG 23 3.130 -8.859 5.564 158 HA ARG 23 HA ARG 23 0.412 -9.781 5.737 159 HB2 ARG 23 1HB ARG 23 2.777 -10.314 7.549 160 HB3 ARG 23 2HB ARG 23 1.223 -11.123 7.667 161 HG2 ARG 23 1HG ARG 23 3.202 -11.303 5.406 162 HG3 ARG 23 2HG ARG 23 2.754 -12.567 6.549 163 HD2 ARG 23 1HD ARG 23 0.933 -11.313 4.493 164 HD3 ARG 23 2HD ARG 23 1.677 -12.903 4.376 165 HE ARG 23 HE ARG 23 0.094 -12.589 6.747 166 HH11 ARG 23 1HH1 ARG 23 -0.016 -13.348 3.336 167 HH12 ARG 23 2HH1 ARG 23 -1.484 -14.260 3.452 168 HH21 ARG 23 1HH2 ARG 23 -1.857 -13.779 6.903 169 HH22 ARG 23 2HH2 ARG 23 -2.545 -14.491 5.476 170 H VAL 24 H VAL 24 -1.166 -8.990 6.950 171 HA VAL 24 HA VAL 24 -0.870 -6.439 8.077 172 HB VAL 24 HB VAL 24 -3.194 -6.610 8.781 173 HG11 VAL 24 1HG1 VAL 24 -4.192 -7.026 6.572 174 HG12 VAL 24 2HG1 VAL 24 -2.681 -7.766 6.044 175 HG13 VAL 24 3HG1 VAL 24 -2.723 -6.055 6.469 176 HG21 VAL 24 1HG2 VAL 24 -4.496 -8.637 8.429 177 HG22 VAL 24 2HG2 VAL 24 -3.183 -8.932 9.568 178 HG23 VAL 24 3HG2 VAL 24 -3.047 -9.491 7.903 179 H ARG 25 H ARG 25 -0.285 -9.491 9.445 180 HA ARG 25 HA ARG 25 -0.834 -9.064 12.148 181 HB2 ARG 25 1HB ARG 25 1.464 -10.584 10.898 182 HB3 ARG 25 2HB ARG 25 1.029 -10.667 12.596 183 HG2 ARG 25 1HG ARG 25 -0.645 -11.564 10.263 184 HG3 ARG 25 2HG ARG 25 0.187 -12.590 11.429 185 HD2 ARG 25 1HD ARG 25 -2.039 -10.659 12.076 186 HD3 ARG 25 2HD ARG 25 -2.223 -12.400 11.891 187 HE ARG 25 HE ARG 25 -0.263 -11.795 13.861 188 HH11 ARG 25 1HH1 ARG 25 -3.713 -11.868 13.292 189 HH12 ARG 25 2HH1 ARG 25 -4.118 -12.138 14.960 190 HH21 ARG 25 1HH2 ARG 25 -0.793 -12.124 16.065 191 HH22 ARG 25 2HH2 ARG 25 -2.457 -12.259 16.537 192 H CYS 26 H CYS 26 1.804 -7.927 10.137 193 HA CYS 26 HA CYS 26 3.496 -7.110 12.271 194 HB2 CYS 26 1HB CYS 26 4.267 -7.569 9.935 195 HB3 CYS 26 2HB CYS 26 3.478 -6.079 9.426 196 HG CYS 26 HG CYS 26 5.697 -5.818 11.953 197 H CYS 27 H CYS 27 1.059 -5.462 10.320 198 HA CYS 27 HA CYS 27 1.527 -2.885 11.475 199 HB2 CYS 27 1HB CYS 27 0.508 -3.154 9.239 200 HB3 CYS 27 2HB CYS 27 -0.892 -3.927 9.971 201 HG CYS 27 HG CYS 27 -2.024 -1.599 9.583 202 H ARG 28 H ARG 28 -0.344 -5.666 12.297 203 HA ARG 28 HA ARG 28 -2.103 -4.305 14.106 204 HB2 ARG 28 1HB ARG 28 -2.771 -6.380 12.959 205 HB3 ARG 28 2HB ARG 28 -1.507 -7.256 13.808 206 HG2 ARG 28 1HG ARG 28 -2.614 -6.740 15.944 207 HG3 ARG 28 2HG ARG 28 -3.908 -5.934 15.054 208 HD2 ARG 28 1HD ARG 28 -4.396 -8.042 13.887 209 HD3 ARG 28 2HD ARG 28 -3.127 -8.839 14.813 210 HE ARG 28 HE ARG 28 -4.747 -7.800 16.723 211 HH11 ARG 28 1HH1 ARG 28 -5.316 -9.822 13.929 212 HH12 ARG 28 2HH1 ARG 28 -6.666 -10.648 14.641 213 HH21 ARG 28 1HH2 ARG 28 -6.527 -8.889 17.666 214 HH22 ARG 28 2HH2 ARG 28 -7.356 -10.113 16.755 215 H ILE 29 H ILE 29 0.943 -6.054 14.369 216 HA ILE 29 HA ILE 29 0.824 -6.026 17.258 217 HB ILE 29 HB ILE 29 1.874 -7.934 16.091 218 HG12 ILE 29 1HG1 ILE 29 3.923 -8.061 17.495 219 HG13 ILE 29 2HG1 ILE 29 3.746 -6.348 17.866 220 HG21 ILE 29 1HG2 ILE 29 4.062 -5.997 15.360 221 HG22 ILE 29 2HG2 ILE 29 2.885 -6.675 14.238 222 HG23 ILE 29 3HG2 ILE 29 4.047 -7.731 15.042 223 HD11 ILE 29 1HD1 ILE 29 2.925 -7.777 19.666 224 HD12 ILE 29 2HD1 ILE 29 1.757 -8.498 18.559 225 HD13 ILE 29 3HD1 ILE 29 1.636 -6.790 18.979 226 H ARG 30 H ARG 30 2.232 -4.081 14.727 227 HA ARG 30 HA ARG 30 3.542 -2.433 16.789 228 HB2 ARG 30 1HB ARG 30 4.049 -2.490 13.813 229 HB3 ARG 30 2HB ARG 30 4.878 -1.461 14.967 230 HG2 ARG 30 1HG ARG 30 5.765 -3.482 16.068 231 HG3 ARG 30 2HG ARG 30 5.006 -4.457 14.810 232 HD2 ARG 30 1HD ARG 30 7.191 -2.415 14.497 233 HD3 ARG 30 2HD ARG 30 7.276 -4.147 14.176 234 HE ARG 30 HE ARG 30 5.280 -2.951 12.565 235 HH11 ARG 30 1HH1 ARG 30 8.748 -3.230 12.881 236 HH12 ARG 30 2HH1 ARG 30 9.052 -2.943 11.199 237 HH21 ARG 30 1HH2 ARG 30 5.672 -2.582 10.348 238 HH22 ARG 30 2HH2 ARG 30 7.300 -2.589 9.755 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 -22.710 -6.127 3.485 2 H2 ASN 1 2H ASN 1 -23.640 -7.221 2.587 3 H3 ASN 1 3H ASN 1 -22.192 -7.728 3.293 4 HA ASN 1 HA ASN 1 -24.064 -8.534 4.551 5 HB2 ASN 1 1HB ASN 1 -22.565 -6.322 5.976 6 HB3 ASN 1 2HB ASN 1 -23.439 -7.628 6.761 7 HD21 ASN 1 1HD2 ASN 1 -22.580 -9.721 6.708 8 HD22 ASN 1 2HD2 ASN 1 -20.925 -10.010 6.305 9 H GLY 2 H GLY 2 -25.849 -7.473 3.196 10 HA2 GLY 2 1HA GLY 2 -27.924 -6.480 3.301 11 HA3 GLY 2 2HA GLY 2 -27.610 -6.146 4.996 12 H ALA 3 H ALA 3 -27.381 -4.084 5.567 13 HA ALA 3 HA ALA 3 -27.456 -2.021 3.581 14 HB1 ALA 3 1HB ALA 3 -27.122 -1.819 6.573 15 HB2 ALA 3 2HB ALA 3 -28.654 -1.798 5.699 16 HB3 ALA 3 3HB ALA 3 -27.495 -0.487 5.480 17 H ILE 4 H ILE 4 -25.010 -3.528 5.540 18 HA ILE 4 HA ILE 4 -23.022 -1.517 4.818 19 HB ILE 4 HB ILE 4 -22.753 -4.027 6.492 20 HG12 ILE 4 1HG1 ILE 4 -24.167 -2.255 7.510 21 HG13 ILE 4 2HG1 ILE 4 -22.679 -2.534 8.415 22 HG21 ILE 4 1HG2 ILE 4 -20.640 -3.446 5.426 23 HG22 ILE 4 2HG2 ILE 4 -20.568 -3.143 7.161 24 HG23 ILE 4 3HG2 ILE 4 -20.767 -1.798 6.038 25 HD11 ILE 4 1HD1 ILE 4 -21.697 -0.545 7.359 26 HD12 ILE 4 2HD1 ILE 4 -23.157 -0.173 8.275 27 HD13 ILE 4 3HD1 ILE 4 -23.220 -0.262 6.515 28 H CYS 5 H CYS 5 -22.586 -1.749 2.680 29 HA CYS 5 HA CYS 5 -21.939 -4.409 1.643 30 HB2 CYS 5 1HB CYS 5 -23.485 -2.911 0.364 31 HB3 CYS 5 2HB CYS 5 -22.150 -1.785 0.149 32 HG CYS 5 HG CYS 5 -23.012 -4.196 -1.793 33 H TRP 6 H TRP 6 -20.490 -1.562 2.797 34 HA TRP 6 HA TRP 6 -17.876 -2.352 1.688 35 HB2 TRP 6 1HB TRP 6 -18.771 -0.081 1.033 36 HB3 TRP 6 2HB TRP 6 -18.670 0.376 2.725 37 HD1 TRP 6 HD1 TRP 6 -16.437 -0.481 -0.269 38 HE1 TRP 6 HE1 TRP 6 -14.091 0.489 0.156 39 HE3 TRP 6 HE3 TRP 6 -17.085 1.106 4.542 40 HZ2 TRP 6 HZ2 TRP 6 -12.703 1.757 2.262 41 HZ3 TRP 6 HZ3 TRP 6 -15.197 2.186 5.692 42 HH2 TRP 6 HH2 TRP 6 -13.054 2.503 4.572 43 H GLY 7 H GLY 7 -16.482 -3.172 3.135 44 HA2 GLY 7 1HA GLY 7 -17.079 -2.765 5.986 45 HA3 GLY 7 2HA GLY 7 -16.177 -4.118 5.321 46 HA PRO 8 HA PRO 8 -13.400 -0.647 7.060 47 HB2 PRO 8 1HB PRO 8 -12.345 -2.935 8.621 48 HB3 PRO 8 2HB PRO 8 -12.711 -1.289 9.145 49 HG2 PRO 8 1HG PRO 8 -14.286 -3.325 9.825 50 HG3 PRO 8 2HG PRO 8 -14.965 -1.738 9.419 51 HD2 PRO 8 1HD PRO 8 -14.841 -4.227 7.762 52 HD3 PRO 8 2HD PRO 8 -16.151 -3.040 7.917 53 H CYS 9 H CYS 9 -12.855 -3.958 6.015 54 HA CYS 9 HA CYS 9 -10.322 -3.090 4.798 55 HB2 CYS 9 1HB CYS 9 -10.869 -5.806 6.016 56 HB3 CYS 9 2HB CYS 9 -9.369 -5.294 5.250 57 HG CYS 9 HG CYS 9 -9.871 -5.306 8.329 58 HA PRO 10 HA PRO 10 -13.028 -4.758 1.492 59 HB2 PRO 10 1HB PRO 10 -12.041 -2.601 -0.152 60 HB3 PRO 10 2HB PRO 10 -13.681 -2.864 0.440 61 HG2 PRO 10 1HG PRO 10 -12.074 -0.810 1.263 62 HG3 PRO 10 2HG PRO 10 -13.387 -1.493 2.237 63 HD2 PRO 10 1HD PRO 10 -10.440 -1.994 2.409 64 HD3 PRO 10 2HD PRO 10 -11.635 -1.816 3.713 65 H THR 11 H THR 11 -12.271 -6.339 0.259 66 HA THR 11 HA THR 11 -9.537 -6.890 -0.009 67 HB THR 11 HB THR 11 -10.488 -8.539 -1.829 68 HG1 THR 11 HG1 THR 11 -12.547 -8.151 -2.156 69 HG21 THR 11 1HG2 THR 11 -11.195 -8.718 1.102 70 HG22 THR 11 2HG2 THR 11 -9.683 -9.240 0.360 71 HG23 THR 11 3HG2 THR 11 -11.188 -10.072 -0.026 72 H ALA 12 H ALA 12 -11.817 -5.333 -2.177 73 HA ALA 12 HA ALA 12 -10.088 -5.300 -4.446 74 HB1 ALA 12 1HB ALA 12 -12.442 -3.511 -3.851 75 HB2 ALA 12 2HB ALA 12 -12.541 -5.097 -4.616 76 HB3 ALA 12 3HB ALA 12 -11.693 -3.779 -5.425 77 H PHE 13 H PHE 13 -10.502 -3.272 -1.656 78 HA PHE 13 HA PHE 13 -9.166 -0.995 -2.777 79 HB2 PHE 13 1HB PHE 13 -10.806 -0.645 -1.034 80 HB3 PHE 13 2HB PHE 13 -9.905 -1.670 0.073 81 HD1 PHE 13 HD1 PHE 13 -8.370 -0.734 1.528 82 HD2 PHE 13 HD2 PHE 13 -9.590 1.457 -1.906 83 HE1 PHE 13 HE1 PHE 13 -7.121 1.218 2.337 84 HE2 PHE 13 HE2 PHE 13 -8.344 3.418 -1.102 85 HZ PHE 13 HZ PHE 13 -7.105 3.302 1.023 86 H ARG 14 H ARG 14 -8.255 -3.743 -0.783 87 HA ARG 14 HA ARG 14 -5.724 -2.743 0.004 88 HB2 ARG 14 1HB ARG 14 -6.542 -5.639 -0.269 89 HB3 ARG 14 2HB ARG 14 -5.222 -5.008 0.705 90 HG2 ARG 14 1HG ARG 14 -6.916 -3.745 2.038 91 HG3 ARG 14 2HG ARG 14 -8.171 -4.603 1.142 92 HD2 ARG 14 1HD ARG 14 -7.886 -5.804 3.153 93 HD3 ARG 14 2HD ARG 14 -7.055 -6.747 1.916 94 HE ARG 14 HE ARG 14 -5.432 -4.870 3.440 95 HH11 ARG 14 1HH1 ARG 14 -6.416 -8.182 2.894 96 HH12 ARG 14 2HH1 ARG 14 -5.174 -8.848 3.905 97 HH21 ARG 14 1HH2 ARG 14 -3.799 -5.737 4.773 98 HH22 ARG 14 2HH2 ARG 14 -3.684 -7.459 4.979 99 H GLN 15 H GLN 15 -6.893 -4.255 -2.861 100 HA GLN 15 HA GLN 15 -4.415 -5.049 -3.973 101 HB2 GLN 15 1HB GLN 15 -6.653 -5.818 -4.776 102 HB3 GLN 15 2HB GLN 15 -6.939 -4.206 -5.412 103 HG2 GLN 15 1HG GLN 15 -5.036 -4.461 -6.917 104 HG3 GLN 15 2HG GLN 15 -4.756 -6.081 -6.283 105 HE21 GLN 15 1HE2 GLN 15 -5.349 -5.244 -8.996 106 HE22 GLN 15 2HE2 GLN 15 -6.790 -6.080 -9.456 107 H ILE 16 H ILE 16 -6.143 -2.050 -3.763 108 HA ILE 16 HA ILE 16 -4.395 -0.671 -5.626 109 HB ILE 16 HB ILE 16 -6.591 0.414 -3.847 110 HG12 ILE 16 1HG1 ILE 16 -7.470 -1.152 -5.521 111 HG13 ILE 16 2HG1 ILE 16 -7.947 0.499 -5.904 112 HG21 ILE 16 1HG2 ILE 16 -4.936 2.108 -4.455 113 HG22 ILE 16 2HG2 ILE 16 -6.490 2.416 -5.231 114 HG23 ILE 16 3HG2 ILE 16 -5.162 1.720 -6.160 115 HD11 ILE 16 1HD1 ILE 16 -6.157 0.603 -7.582 116 HD12 ILE 16 2HD1 ILE 16 -7.312 -0.688 -7.909 117 HD13 ILE 16 3HD1 ILE 16 -5.736 -1.070 -7.216 118 H GLY 17 H GLY 17 -5.109 -0.727 -2.158 119 HA2 GLY 17 1HA GLY 17 -2.953 1.112 -1.547 120 HA3 GLY 17 2HA GLY 17 -4.006 0.306 -0.393 121 H ASN 18 H ASN 18 -2.726 -0.805 0.976 122 HA ASN 18 HA ASN 18 -0.376 -2.147 -0.102 123 HB2 ASN 18 1HB ASN 18 0.318 -2.527 2.176 124 HB3 ASN 18 2HB ASN 18 -0.181 -0.852 2.018 125 HD21 ASN 18 1HD2 ASN 18 -0.784 -3.885 3.519 126 HD22 ASN 18 2HD2 ASN 18 -2.046 -3.360 4.578 127 H CYS 19 H CYS 19 -0.359 -4.190 -0.653 128 HA CYS 19 HA CYS 19 -2.771 -5.746 -0.293 129 HB2 CYS 19 1HB CYS 19 -0.247 -6.408 -1.817 130 HB3 CYS 19 2HB CYS 19 -1.784 -7.260 -1.922 131 HG CYS 19 HG CYS 19 -2.690 -4.317 -2.578 132 H GLY 20 H GLY 20 -2.200 -5.774 2.107 133 HA2 GLY 20 1HA GLY 20 -0.107 -7.555 2.941 134 HA3 GLY 20 2HA GLY 20 -1.366 -6.876 3.962 135 H ARG 21 H ARG 21 -1.379 -9.002 1.123 136 HA ARG 21 HA ARG 21 -2.918 -10.943 2.705 137 HB2 ARG 21 1HB ARG 21 -3.988 -11.566 0.451 138 HB3 ARG 21 2HB ARG 21 -4.534 -10.104 1.251 139 HG2 ARG 21 1HG ARG 21 -4.347 -9.564 -1.021 140 HG3 ARG 21 2HG ARG 21 -2.943 -8.838 -0.249 141 HD2 ARG 21 1HD ARG 21 -1.585 -10.770 -0.979 142 HD3 ARG 21 2HD ARG 21 -2.997 -11.420 -1.811 143 HE ARG 21 HE ARG 21 -2.738 -8.909 -2.829 144 HH11 ARG 21 1HH1 ARG 21 -0.660 -11.721 -2.631 145 HH12 ARG 21 2HH1 ARG 21 0.292 -11.271 -4.008 146 HH21 ARG 21 1HH2 ARG 21 -1.495 -8.323 -4.647 147 HH22 ARG 21 2HH2 ARG 21 -0.185 -9.341 -5.157 148 H PHE 22 H PHE 22 -0.038 -10.429 1.360 149 HA PHE 22 HA PHE 22 0.346 -13.305 0.889 150 HB2 PHE 22 1HB PHE 22 2.178 -12.787 -0.640 151 HB3 PHE 22 2HB PHE 22 0.690 -12.042 -1.199 152 HD1 PHE 22 HD1 PHE 22 0.466 -9.660 -1.317 153 HD2 PHE 22 HD2 PHE 22 3.993 -11.432 0.270 154 HE1 PHE 22 HE1 PHE 22 1.622 -7.499 -1.475 155 HE2 PHE 22 HE2 PHE 22 5.151 -9.272 0.115 156 HZ PHE 22 HZ PHE 22 3.966 -7.300 -0.758 157 H ARG 23 H ARG 23 2.524 -14.074 1.490 158 HA ARG 23 HA ARG 23 3.235 -12.923 4.062 159 HB2 ARG 23 1HB ARG 23 2.893 -15.424 3.583 160 HB3 ARG 23 2HB ARG 23 4.448 -15.364 2.771 161 HG2 ARG 23 1HG ARG 23 4.779 -16.192 4.981 162 HG3 ARG 23 2HG ARG 23 5.465 -14.568 4.890 163 HD2 ARG 23 1HD ARG 23 3.616 -13.635 6.063 164 HD3 ARG 23 2HD ARG 23 2.690 -15.126 5.926 165 HE ARG 23 HE ARG 23 4.721 -16.013 7.337 166 HH11 ARG 23 1HH1 ARG 23 3.042 -12.965 7.680 167 HH12 ARG 23 2HH1 ARG 23 3.289 -12.877 9.392 168 HH21 ARG 23 1HH2 ARG 23 5.020 -15.921 9.593 169 HH22 ARG 23 2HH2 ARG 23 4.405 -14.563 10.485 170 H VAL 24 H VAL 24 4.942 -11.660 4.378 171 HA VAL 24 HA VAL 24 6.429 -10.623 2.233 172 HB VAL 24 HB VAL 24 7.026 -10.455 5.190 173 HG11 VAL 24 1HG1 VAL 24 8.303 -8.447 4.646 174 HG12 VAL 24 2HG1 VAL 24 8.000 -8.713 2.929 175 HG13 VAL 24 3HG1 VAL 24 8.976 -9.864 3.841 176 HG21 VAL 24 1HG2 VAL 24 4.803 -9.622 4.603 177 HG22 VAL 24 2HG2 VAL 24 5.523 -8.560 3.396 178 HG23 VAL 24 3HG2 VAL 24 5.873 -8.314 5.106 179 H ARG 25 H ARG 25 6.968 -13.349 4.275 180 HA ARG 25 HA ARG 25 9.743 -13.664 3.906 181 HB2 ARG 25 1HB ARG 25 7.591 -15.727 4.406 182 HB3 ARG 25 2HB ARG 25 9.312 -16.063 4.467 183 HG2 ARG 25 1HG ARG 25 9.554 -14.448 6.296 184 HG3 ARG 25 2HG ARG 25 7.815 -14.155 6.250 185 HD2 ARG 25 1HD ARG 25 7.435 -16.547 6.751 186 HD3 ARG 25 2HD ARG 25 9.180 -16.775 6.875 187 HE ARG 25 HE ARG 25 8.309 -14.687 8.590 188 HH11 ARG 25 1HH1 ARG 25 8.340 -18.170 8.291 189 HH12 ARG 25 2HH1 ARG 25 8.320 -18.447 10.003 190 HH21 ARG 25 1HH2 ARG 25 8.259 -15.037 10.836 191 HH22 ARG 25 2HH2 ARG 25 8.263 -16.654 11.460 192 H CYS 26 H CYS 26 7.001 -14.364 1.879 193 HA CYS 26 HA CYS 26 8.326 -16.125 0.084 194 HB2 CYS 26 1HB CYS 26 5.929 -14.351 -0.444 195 HB3 CYS 26 2HB CYS 26 6.417 -15.758 -1.384 196 HG CYS 26 HG CYS 26 5.767 -17.634 0.470 197 H CYS 27 H CYS 27 8.200 -12.683 0.456 198 HA CYS 27 HA CYS 27 9.236 -12.005 -2.114 199 HB2 CYS 27 1HB CYS 27 9.335 -10.448 0.482 200 HB3 CYS 27 2HB CYS 27 9.646 -9.797 -1.123 201 HG CYS 27 HG CYS 27 7.083 -9.967 -2.037 202 H ARG 28 H ARG 28 10.577 -13.306 0.742 203 HA ARG 28 HA ARG 28 13.299 -12.579 0.061 204 HB2 ARG 28 1HB ARG 28 12.573 -12.838 2.439 205 HB3 ARG 28 2HB ARG 28 12.288 -14.544 2.132 206 HG2 ARG 28 1HG ARG 28 14.398 -14.249 3.245 207 HG3 ARG 28 2HG ARG 28 14.667 -14.829 1.599 208 HD2 ARG 28 1HD ARG 28 15.168 -12.550 0.876 209 HD3 ARG 28 2HD ARG 28 14.880 -11.961 2.511 210 HE ARG 28 HE ARG 28 16.882 -13.998 2.417 211 HH11 ARG 28 1HH1 ARG 28 16.286 -10.587 1.936 212 HH12 ARG 28 2HH1 ARG 28 17.931 -10.125 2.235 213 HH21 ARG 28 1HH2 ARG 28 19.050 -13.403 2.804 214 HH22 ARG 28 2HH2 ARG 28 19.509 -11.734 2.718 215 H ILE 29 H ILE 29 11.083 -15.247 -0.228 216 HA ILE 29 HA ILE 29 12.927 -17.227 -1.036 217 HB ILE 29 HB ILE 29 9.981 -17.026 -1.688 218 HG12 ILE 29 1HG1 ILE 29 10.336 -16.989 0.716 219 HG13 ILE 29 2HG1 ILE 29 9.690 -18.558 0.242 220 HG21 ILE 29 1HG2 ILE 29 10.075 -19.438 -2.041 221 HG22 ILE 29 2HG2 ILE 29 11.808 -19.427 -1.719 222 HG23 ILE 29 3HG2 ILE 29 11.171 -18.600 -3.139 223 HD11 ILE 29 1HD1 ILE 29 11.412 -18.836 1.897 224 HD12 ILE 29 2HD1 ILE 29 12.554 -17.926 0.912 225 HD13 ILE 29 3HD1 ILE 29 11.965 -19.492 0.357 226 H ARG 30 H ARG 30 10.661 -15.249 -2.939 227 HA ARG 30 HA ARG 30 12.531 -15.469 -5.189 228 HB2 ARG 30 1HB ARG 30 10.497 -15.455 -6.715 229 HB3 ARG 30 2HB ARG 30 10.815 -16.948 -5.847 230 HG2 ARG 30 1HG ARG 30 9.073 -16.408 -4.243 231 HG3 ARG 30 2HG ARG 30 8.786 -14.872 -5.057 232 HD2 ARG 30 1HD ARG 30 7.115 -16.495 -5.732 233 HD3 ARG 30 2HD ARG 30 8.148 -16.083 -7.098 234 HE ARG 30 HE ARG 30 9.212 -18.359 -5.875 235 HH11 ARG 30 1HH1 ARG 30 6.366 -17.407 -7.679 236 HH12 ARG 30 2HH1 ARG 30 6.071 -19.002 -8.295 237 HH21 ARG 30 1HH2 ARG 30 8.828 -20.459 -6.702 238 HH22 ARG 30 2HH2 ARG 30 7.472 -20.734 -7.748 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 -22.389 2.497 6.262 2 H2 ASN 1 2H ASN 1 -21.179 3.651 5.993 3 H3 ASN 1 3H ASN 1 -21.022 2.538 7.255 4 HA ASN 1 HA ASN 1 -19.631 2.021 5.312 5 HB2 ASN 1 1HB ASN 1 -21.768 0.065 6.156 6 HB3 ASN 1 2HB ASN 1 -20.384 -0.388 5.172 7 HD21 ASN 1 1HD2 ASN 1 -19.594 -1.792 6.744 8 HD22 ASN 1 2HD2 ASN 1 -18.864 -1.214 8.200 9 H GLY 2 H GLY 2 -21.399 3.768 4.040 10 HA2 GLY 2 1HA GLY 2 -22.950 2.446 2.041 11 HA3 GLY 2 2HA GLY 2 -22.469 4.137 2.032 12 H ALA 3 H ALA 3 -19.708 3.847 2.095 13 HA ALA 3 HA ALA 3 -19.168 3.187 -0.649 14 HB1 ALA 3 1HB ALA 3 -18.092 5.102 0.436 15 HB2 ALA 3 2HB ALA 3 -16.900 3.950 -0.162 16 HB3 ALA 3 3HB ALA 3 -17.281 4.010 1.558 17 H ILE 4 H ILE 4 -18.784 1.672 2.438 18 HA ILE 4 HA ILE 4 -16.917 -0.330 1.523 19 HB ILE 4 HB ILE 4 -18.539 -0.367 4.072 20 HG12 ILE 4 1HG1 ILE 4 -15.815 0.878 3.586 21 HG13 ILE 4 2HG1 ILE 4 -17.306 1.770 3.889 22 HG21 ILE 4 1HG2 ILE 4 -15.908 -1.645 3.331 23 HG22 ILE 4 2HG2 ILE 4 -17.456 -2.471 3.490 24 HG23 ILE 4 3HG2 ILE 4 -16.694 -1.748 4.907 25 HD11 ILE 4 1HD1 ILE 4 -15.944 -0.103 5.814 26 HD12 ILE 4 2HD1 ILE 4 -17.430 0.798 6.122 27 HD13 ILE 4 3HD1 ILE 4 -15.911 1.659 5.872 28 H CYS 5 H CYS 5 -17.983 -1.337 -0.191 29 HA CYS 5 HA CYS 5 -20.443 -2.794 0.504 30 HB2 CYS 5 1HB CYS 5 -20.826 -2.786 -2.012 31 HB3 CYS 5 2HB CYS 5 -20.979 -1.237 -1.190 32 HG CYS 5 HG CYS 5 -19.097 0.024 -2.437 33 H TRP 6 H TRP 6 -17.257 -3.324 0.196 34 HA TRP 6 HA TRP 6 -17.597 -5.921 -1.156 35 HB2 TRP 6 1HB TRP 6 -15.087 -4.299 -0.715 36 HB3 TRP 6 2HB TRP 6 -15.132 -5.882 -1.465 37 HD1 TRP 6 HD1 TRP 6 -16.145 -2.237 -2.131 38 HE1 TRP 6 HE1 TRP 6 -16.431 -1.921 -4.663 39 HE3 TRP 6 HE3 TRP 6 -15.608 -7.094 -3.618 40 HZ2 TRP 6 HZ2 TRP 6 -16.428 -3.522 -6.991 41 HZ3 TRP 6 HZ3 TRP 6 -15.759 -7.615 -6.015 42 HH2 TRP 6 HH2 TRP 6 -16.160 -5.867 -7.665 43 H GLY 7 H GLY 7 -18.520 -5.871 1.369 44 HA2 GLY 7 1HA GLY 7 -18.347 -7.342 3.175 45 HA3 GLY 7 2HA GLY 7 -16.684 -7.674 2.714 46 HA PRO 8 HA PRO 8 -16.623 -4.930 6.500 47 HB2 PRO 8 1HB PRO 8 -14.567 -6.870 7.334 48 HB3 PRO 8 2HB PRO 8 -15.970 -6.270 8.223 49 HG2 PRO 8 1HG PRO 8 -15.874 -8.775 7.272 50 HG3 PRO 8 2HG PRO 8 -17.386 -7.849 7.322 51 HD2 PRO 8 1HD PRO 8 -15.578 -8.398 4.999 52 HD3 PRO 8 2HD PRO 8 -17.350 -8.394 5.069 53 H CYS 9 H CYS 9 -13.874 -6.670 5.060 54 HA CYS 9 HA CYS 9 -12.475 -4.091 4.834 55 HB2 CYS 9 1HB CYS 9 -11.430 -5.704 6.452 56 HB3 CYS 9 2HB CYS 9 -11.191 -6.819 5.113 57 HG CYS 9 HG CYS 9 -9.384 -4.188 6.035 58 HA PRO 10 HA PRO 10 -13.638 -5.189 0.561 59 HB2 PRO 10 1HB PRO 10 -12.175 -2.599 0.272 60 HB3 PRO 10 2HB PRO 10 -13.690 -3.111 -0.475 61 HG2 PRO 10 1HG PRO 10 -13.747 -1.437 1.561 62 HG3 PRO 10 2HG PRO 10 -14.915 -2.774 1.482 63 HD2 PRO 10 1HD PRO 10 -12.453 -2.505 3.159 64 HD3 PRO 10 2HD PRO 10 -14.023 -3.219 3.571 65 H THR 11 H THR 11 -12.427 -6.664 -0.431 66 HA THR 11 HA THR 11 -9.615 -6.802 -0.259 67 HB THR 11 HB THR 11 -11.411 -8.120 -2.305 68 HG1 THR 11 HG1 THR 11 -10.836 -8.668 0.392 69 HG21 THR 11 1HG2 THR 11 -9.645 -9.808 -2.434 70 HG22 THR 11 2HG2 THR 11 -8.674 -8.889 -1.283 71 HG23 THR 11 3HG2 THR 11 -9.026 -8.216 -2.875 72 H ALA 12 H ALA 12 -11.829 -5.424 -2.601 73 HA ALA 12 HA ALA 12 -10.001 -4.795 -4.630 74 HB1 ALA 12 1HB ALA 12 -12.452 -4.669 -4.879 75 HB2 ALA 12 2HB ALA 12 -11.645 -3.188 -5.392 76 HB3 ALA 12 3HB ALA 12 -12.466 -3.249 -3.833 77 H PHE 13 H PHE 13 -10.849 -3.132 -1.648 78 HA PHE 13 HA PHE 13 -9.376 -0.759 -2.296 79 HB2 PHE 13 1HB PHE 13 -11.361 -0.776 -0.790 80 HB3 PHE 13 2HB PHE 13 -10.410 -1.662 0.394 81 HD1 PHE 13 HD1 PHE 13 -10.315 1.471 -1.606 82 HD2 PHE 13 HD2 PHE 13 -9.305 -0.492 2.027 83 HE1 PHE 13 HE1 PHE 13 -9.497 3.597 -0.689 84 HE2 PHE 13 HE2 PHE 13 -8.484 1.628 2.951 85 HZ PHE 13 HZ PHE 13 -8.578 3.681 1.594 86 H ARG 14 H ARG 14 -8.719 -3.769 -0.694 87 HA ARG 14 HA ARG 14 -6.176 -2.840 0.350 88 HB2 ARG 14 1HB ARG 14 -7.456 -5.577 0.341 89 HB3 ARG 14 2HB ARG 14 -5.917 -5.205 1.099 90 HG2 ARG 14 1HG ARG 14 -8.588 -4.032 1.842 91 HG3 ARG 14 2HG ARG 14 -7.706 -5.275 2.731 92 HD2 ARG 14 1HD ARG 14 -6.807 -2.431 2.252 93 HD3 ARG 14 2HD ARG 14 -7.383 -3.101 3.778 94 HE ARG 14 HE ARG 14 -5.181 -4.605 2.849 95 HH11 ARG 14 1HH1 ARG 14 -5.941 -1.483 4.235 96 HH12 ARG 14 2HH1 ARG 14 -4.389 -1.294 4.979 97 HH21 ARG 14 1HH2 ARG 14 -3.133 -4.350 3.787 98 HH22 ARG 14 2HH2 ARG 14 -2.785 -2.934 4.728 99 H GLN 15 H GLN 15 -7.308 -3.782 -2.591 100 HA GLN 15 HA GLN 15 -4.912 -5.235 -3.407 101 HB2 GLN 15 1HB GLN 15 -7.308 -5.938 -3.990 102 HB3 GLN 15 2HB GLN 15 -7.312 -4.588 -5.111 103 HG2 GLN 15 1HG GLN 15 -5.510 -5.560 -6.363 104 HG3 GLN 15 2HG GLN 15 -5.338 -6.856 -5.178 105 HE21 GLN 15 1HE2 GLN 15 -6.878 -8.499 -5.109 106 HE22 GLN 15 2HE2 GLN 15 -7.989 -8.770 -6.404 107 H ILE 16 H ILE 16 -5.339 -2.243 -2.824 108 HA ILE 16 HA ILE 16 -4.807 -0.898 -5.280 109 HB ILE 16 HB ILE 16 -4.394 -0.010 -2.419 110 HG12 ILE 16 1HG1 ILE 16 -6.746 -0.408 -3.024 111 HG13 ILE 16 2HG1 ILE 16 -6.436 1.308 -2.773 112 HG21 ILE 16 1HG2 ILE 16 -4.280 1.645 -4.938 113 HG22 ILE 16 2HG2 ILE 16 -2.905 1.217 -3.920 114 HG23 ILE 16 3HG2 ILE 16 -4.180 2.260 -3.289 115 HD11 ILE 16 1HD1 ILE 16 -7.872 0.985 -4.679 116 HD12 ILE 16 2HD1 ILE 16 -6.696 -0.097 -5.422 117 HD13 ILE 16 3HD1 ILE 16 -6.311 1.611 -5.210 118 H GLY 17 H GLY 17 -2.803 -1.953 -2.546 119 HA2 GLY 17 1HA GLY 17 -0.339 -1.190 -3.796 120 HA3 GLY 17 2HA GLY 17 -0.518 -2.202 -2.368 121 H ASN 18 H ASN 18 0.022 -2.123 -5.734 122 HA ASN 18 HA ASN 18 -0.693 -4.838 -6.280 123 HB2 ASN 18 1HB ASN 18 -0.752 -3.132 -8.040 124 HB3 ASN 18 2HB ASN 18 0.987 -2.919 -7.900 125 HD21 ASN 18 1HD2 ASN 18 1.357 -3.494 -10.030 126 HD22 ASN 18 2HD2 ASN 18 1.207 -5.123 -10.588 127 H CYS 19 H CYS 19 2.489 -3.241 -6.445 128 HA CYS 19 HA CYS 19 3.680 -5.721 -5.430 129 HB2 CYS 19 1HB CYS 19 5.534 -5.387 -7.107 130 HB3 CYS 19 2HB CYS 19 3.985 -5.864 -7.793 131 HG CYS 19 HG CYS 19 5.754 -3.641 -9.003 132 H GLY 20 H GLY 20 5.746 -5.448 -4.419 133 HA2 GLY 20 1HA GLY 20 7.471 -4.198 -3.443 134 HA3 GLY 20 2HA GLY 20 6.656 -2.721 -3.940 135 H ARG 21 H ARG 21 4.466 -4.815 -2.552 136 HA ARG 21 HA ARG 21 4.232 -3.203 -0.193 137 HB2 ARG 21 1HB ARG 21 2.301 -4.266 -1.455 138 HB3 ARG 21 2HB ARG 21 2.814 -5.810 -0.798 139 HG2 ARG 21 1HG ARG 21 2.200 -3.516 1.018 140 HG3 ARG 21 2HG ARG 21 0.907 -4.506 0.347 141 HD2 ARG 21 1HD ARG 21 1.895 -6.498 1.331 142 HD3 ARG 21 2HD ARG 21 3.239 -5.542 1.956 143 HE ARG 21 HE ARG 21 1.143 -4.302 3.060 144 HH11 ARG 21 1HH1 ARG 21 1.915 -7.706 2.831 145 HH12 ARG 21 2HH1 ARG 21 1.155 -8.113 4.332 146 HH21 ARG 21 1HH2 ARG 21 0.149 -4.830 5.052 147 HH22 ARG 21 2HH2 ARG 21 0.155 -6.476 5.598 148 H PHE 22 H PHE 22 5.351 -6.434 -1.000 149 HA PHE 22 HA PHE 22 6.730 -6.493 1.590 150 HB2 PHE 22 1HB PHE 22 6.585 -9.017 1.417 151 HB3 PHE 22 2HB PHE 22 5.076 -8.190 1.770 152 HD1 PHE 22 HD1 PHE 22 6.955 -10.090 -0.721 153 HD2 PHE 22 HD2 PHE 22 3.278 -8.152 0.180 154 HE1 PHE 22 HE1 PHE 22 5.890 -11.234 -2.620 155 HE2 PHE 22 HE2 PHE 22 2.210 -9.290 -1.714 156 HZ PHE 22 HZ PHE 22 3.513 -10.834 -3.120 157 H ARG 23 H ARG 23 8.824 -7.359 1.572 158 HA ARG 23 HA ARG 23 10.083 -7.143 -1.071 159 HB2 ARG 23 1HB ARG 23 11.385 -7.033 1.655 160 HB3 ARG 23 2HB ARG 23 12.151 -6.672 0.116 161 HG2 ARG 23 1HG ARG 23 9.950 -5.091 1.432 162 HG3 ARG 23 2HG ARG 23 11.647 -4.634 1.312 163 HD2 ARG 23 1HD ARG 23 11.437 -4.580 -1.144 164 HD3 ARG 23 2HD ARG 23 9.726 -4.987 -0.992 165 HE ARG 23 HE ARG 23 9.951 -2.773 0.535 166 HH11 ARG 23 1HH1 ARG 23 10.922 -3.500 -2.743 167 HH12 ARG 23 2HH1 ARG 23 10.757 -1.864 -3.292 168 HH21 ARG 23 1HH2 ARG 23 9.737 -0.609 -0.189 169 HH22 ARG 23 2HH2 ARG 23 10.101 -0.221 -1.839 170 H VAL 24 H VAL 24 11.477 -8.714 -1.831 171 HA VAL 24 HA VAL 24 11.091 -11.339 -0.597 172 HB VAL 24 HB VAL 24 12.212 -10.738 -3.334 173 HG11 VAL 24 1HG1 VAL 24 11.083 -13.269 -2.146 174 HG12 VAL 24 2HG1 VAL 24 12.786 -12.941 -2.466 175 HG13 VAL 24 3HG1 VAL 24 11.644 -13.070 -3.806 176 HG21 VAL 24 1HG2 VAL 24 9.376 -11.416 -2.566 177 HG22 VAL 24 2HG2 VAL 24 9.993 -11.274 -4.212 178 HG23 VAL 24 3HG2 VAL 24 9.943 -9.856 -3.163 179 H ARG 25 H ARG 25 13.643 -9.175 -1.734 180 HA ARG 25 HA ARG 25 15.784 -10.954 -1.451 181 HB2 ARG 25 1HB ARG 25 17.257 -9.069 -1.597 182 HB3 ARG 25 2HB ARG 25 15.912 -8.793 -2.687 183 HG2 ARG 25 1HG ARG 25 15.996 -7.616 0.073 184 HG3 ARG 25 2HG ARG 25 16.747 -6.825 -1.313 185 HD2 ARG 25 1HD ARG 25 14.587 -6.775 -2.458 186 HD3 ARG 25 2HD ARG 25 13.831 -7.579 -1.087 187 HE ARG 25 HE ARG 25 14.484 -5.555 0.222 188 HH11 ARG 25 1HH1 ARG 25 14.086 -5.362 -3.254 189 HH12 ARG 25 2HH1 ARG 25 13.662 -3.683 -3.238 190 HH21 ARG 25 1HH2 ARG 25 13.917 -3.343 0.247 191 HH22 ARG 25 2HH2 ARG 25 13.566 -2.534 -1.248 192 H CYS 26 H CYS 26 14.116 -9.035 0.944 193 HA CYS 26 HA CYS 26 16.122 -9.128 2.936 194 HB2 CYS 26 1HB CYS 26 14.207 -8.645 4.507 195 HB3 CYS 26 2HB CYS 26 14.394 -7.503 3.180 196 HG CYS 26 HG CYS 26 11.663 -8.590 4.050 197 H CYS 27 H CYS 27 13.348 -11.205 2.211 198 HA CYS 27 HA CYS 27 13.730 -12.974 4.392 199 HB2 CYS 27 1HB CYS 27 12.380 -13.506 1.735 200 HB3 CYS 27 2HB CYS 27 12.181 -14.451 3.208 201 HG CYS 27 HG CYS 27 11.389 -11.657 4.325 202 H ARG 28 H ARG 28 15.446 -12.516 1.515 203 HA ARG 28 HA ARG 28 16.441 -15.230 1.373 204 HB2 ARG 28 1HB ARG 28 16.054 -13.874 -0.680 205 HB3 ARG 28 2HB ARG 28 17.319 -12.772 -0.156 206 HG2 ARG 28 1HG ARG 28 18.090 -14.351 -1.862 207 HG3 ARG 28 2HG ARG 28 18.975 -14.516 -0.345 208 HD2 ARG 28 1HD ARG 28 18.363 -16.692 -1.374 209 HD3 ARG 28 2HD ARG 28 17.706 -16.472 0.247 210 HE ARG 28 HE ARG 28 15.897 -15.682 -1.845 211 HH11 ARG 28 1HH1 ARG 28 17.075 -18.382 0.048 212 HH12 ARG 28 2HH1 ARG 28 15.624 -19.312 -0.137 213 HH21 ARG 28 1HH2 ARG 28 13.969 -16.897 -2.070 214 HH22 ARG 28 2HH2 ARG 28 13.858 -18.470 -1.340 215 H ILE 29 H ILE 29 17.373 -12.172 2.744 216 HA ILE 29 HA ILE 29 20.062 -13.211 3.290 217 HB ILE 29 HB ILE 29 20.675 -10.899 3.895 218 HG12 ILE 29 1HG1 ILE 29 17.858 -10.228 2.998 219 HG13 ILE 29 2HG1 ILE 29 18.467 -10.122 4.647 220 HG21 ILE 29 1HG2 ILE 29 21.037 -11.670 1.622 221 HG22 ILE 29 2HG2 ILE 29 20.572 -9.969 1.609 222 HG23 ILE 29 3HG2 ILE 29 19.396 -11.209 1.176 223 HD11 ILE 29 1HD1 ILE 29 19.428 -8.492 2.307 224 HD12 ILE 29 2HD1 ILE 29 20.029 -8.382 3.962 225 HD13 ILE 29 3HD1 ILE 29 18.362 -7.936 3.599 226 H ARG 30 H ARG 30 17.081 -12.386 4.862 227 HA ARG 30 HA ARG 30 18.265 -13.290 7.373 228 HB2 ARG 30 1HB ARG 30 17.002 -11.502 8.612 229 HB3 ARG 30 2HB ARG 30 18.373 -10.936 7.676 230 HG2 ARG 30 1HG ARG 30 16.920 -10.090 5.963 231 HG3 ARG 30 2HG ARG 30 15.508 -10.782 6.764 232 HD2 ARG 30 1HD ARG 30 17.313 -8.651 7.909 233 HD3 ARG 30 2HD ARG 30 15.732 -8.367 7.184 234 HE ARG 30 HE ARG 30 15.189 -10.162 9.130 235 HH11 ARG 30 1HH1 ARG 30 16.870 -7.096 9.110 236 HH12 ARG 30 2HH1 ARG 30 16.482 -6.728 10.760 237 HH21 ARG 30 1HH2 ARG 30 14.668 -9.678 11.303 238 HH22 ARG 30 2HH2 ARG 30 15.223 -8.193 12.006 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 -15.555 -12.401 -8.325 2 H2 ASN 1 2H ASN 1 -15.316 -10.966 -7.470 3 H3 ASN 1 3H ASN 1 -15.325 -12.448 -6.654 4 HA ASN 1 HA ASN 1 -13.334 -13.142 -7.772 5 HB2 ASN 1 1HB ASN 1 -12.103 -11.564 -9.195 6 HB3 ASN 1 2HB ASN 1 -13.692 -11.905 -9.866 7 HD21 ASN 1 1HD2 ASN 1 -11.922 -9.625 -10.310 8 HD22 ASN 1 2HD2 ASN 1 -12.844 -8.225 -9.878 9 H GLY 2 H GLY 2 -14.531 -10.866 -5.714 10 HA2 GLY 2 1HA GLY 2 -13.607 -10.269 -3.656 11 HA3 GLY 2 2HA GLY 2 -12.033 -10.802 -4.233 12 H ALA 3 H ALA 3 -14.005 -8.635 -6.114 13 HA ALA 3 HA ALA 3 -11.976 -6.557 -5.721 14 HB1 ALA 3 1HB ALA 3 -14.093 -6.779 -7.858 15 HB2 ALA 3 2HB ALA 3 -12.412 -7.281 -8.030 16 HB3 ALA 3 3HB ALA 3 -12.803 -5.579 -7.786 17 H ILE 4 H ILE 4 -14.243 -7.197 -3.875 18 HA ILE 4 HA ILE 4 -16.084 -5.020 -4.143 19 HB ILE 4 HB ILE 4 -16.951 -5.687 -1.935 20 HG12 ILE 4 1HG1 ILE 4 -14.833 -7.852 -2.003 21 HG13 ILE 4 2HG1 ILE 4 -14.759 -6.420 -0.977 22 HG21 ILE 4 1HG2 ILE 4 -17.822 -6.762 -3.921 23 HG22 ILE 4 2HG2 ILE 4 -17.750 -7.922 -2.595 24 HG23 ILE 4 3HG2 ILE 4 -16.533 -7.964 -3.871 25 HD11 ILE 4 1HD1 ILE 4 -16.872 -8.563 -0.868 26 HD12 ILE 4 2HD1 ILE 4 -16.792 -7.138 0.168 27 HD13 ILE 4 3HD1 ILE 4 -15.531 -8.367 0.256 28 H CYS 5 H CYS 5 -15.929 -3.045 -3.382 29 HA CYS 5 HA CYS 5 -13.676 -2.371 -1.633 30 HB2 CYS 5 1HB CYS 5 -15.444 -0.586 -3.318 31 HB3 CYS 5 2HB CYS 5 -14.085 -0.042 -2.343 32 HG CYS 5 HG CYS 5 -13.801 -2.194 -4.993 33 H TRP 6 H TRP 6 -17.001 -2.866 -1.655 34 HA TRP 6 HA TRP 6 -17.289 -1.453 0.908 35 HB2 TRP 6 1HB TRP 6 -18.683 -0.481 -0.899 36 HB3 TRP 6 2HB TRP 6 -19.448 -2.045 -1.130 37 HD1 TRP 6 HD1 TRP 6 -21.436 -2.652 0.435 38 HE1 TRP 6 HE1 TRP 6 -22.671 -1.418 2.327 39 HE3 TRP 6 HE3 TRP 6 -18.204 1.245 1.094 40 HZ2 TRP 6 HZ2 TRP 6 -22.307 0.907 3.897 41 HZ3 TRP 6 HZ3 TRP 6 -18.716 2.927 2.809 42 HH2 TRP 6 HH2 TRP 6 -20.725 2.761 4.180 43 H GLY 7 H GLY 7 -17.986 -2.622 2.617 44 HA2 GLY 7 1HA GLY 7 -19.579 -4.718 2.930 45 HA3 GLY 7 2HA GLY 7 -18.161 -5.505 2.250 46 HA PRO 8 HA PRO 8 -17.722 -5.443 6.913 47 HB2 PRO 8 1HB PRO 8 -16.429 -8.027 6.235 48 HB3 PRO 8 2HB PRO 8 -17.593 -7.654 7.511 49 HG2 PRO 8 1HG PRO 8 -18.334 -9.025 5.347 50 HG3 PRO 8 2HG PRO 8 -19.413 -7.830 6.091 51 HD2 PRO 8 1HD PRO 8 -17.737 -7.595 3.625 52 HD3 PRO 8 2HD PRO 8 -19.374 -6.989 3.937 53 H CYS 9 H CYS 9 -15.517 -6.553 4.388 54 HA CYS 9 HA CYS 9 -13.515 -4.659 5.311 55 HB2 CYS 9 1HB CYS 9 -12.892 -7.594 4.896 56 HB3 CYS 9 2HB CYS 9 -11.711 -6.333 5.227 57 HG CYS 9 HG CYS 9 -13.840 -6.089 7.620 58 HA PRO 10 HA PRO 10 -13.721 -4.181 0.810 59 HB2 PRO 10 1HB PRO 10 -11.436 -2.393 1.480 60 HB3 PRO 10 2HB PRO 10 -12.863 -2.066 0.489 61 HG2 PRO 10 1HG PRO 10 -12.661 -1.044 2.934 62 HG3 PRO 10 2HG PRO 10 -14.213 -1.662 2.338 63 HD2 PRO 10 1HD PRO 10 -12.281 -2.916 4.247 64 HD3 PRO 10 2HD PRO 10 -14.055 -2.925 4.269 65 H THR 11 H THR 11 -12.824 -5.733 -0.391 66 HA THR 11 HA THR 11 -10.319 -6.934 0.429 67 HB THR 11 HB THR 11 -11.999 -7.733 -1.947 68 HG1 THR 11 HG1 THR 11 -12.385 -8.241 0.824 69 HG21 THR 11 1HG2 THR 11 -9.783 -8.778 -1.739 70 HG22 THR 11 2HG2 THR 11 -11.075 -9.953 -1.493 71 HG23 THR 11 3HG2 THR 11 -10.190 -9.312 -0.109 72 H ALA 12 H ALA 12 -11.482 -4.725 -1.934 73 HA ALA 12 HA ALA 12 -9.250 -5.105 -3.740 74 HB1 ALA 12 1HB ALA 12 -11.464 -4.555 -4.625 75 HB2 ALA 12 2HB ALA 12 -10.271 -3.331 -5.058 76 HB3 ALA 12 3HB ALA 12 -11.426 -3.017 -3.762 77 H PHE 13 H PHE 13 -9.685 -3.501 -0.851 78 HA PHE 13 HA PHE 13 -8.469 -1.022 -1.323 79 HB2 PHE 13 1HB PHE 13 -9.733 -1.485 0.717 80 HB3 PHE 13 2HB PHE 13 -8.499 -2.628 1.236 81 HD1 PHE 13 HD1 PHE 13 -6.768 -1.897 2.587 82 HD2 PHE 13 HD2 PHE 13 -8.929 0.929 0.254 83 HE1 PHE 13 HE1 PHE 13 -5.522 -0.068 3.655 84 HE2 PHE 13 HE2 PHE 13 -7.691 2.763 1.318 85 HZ PHE 13 HZ PHE 13 -5.982 2.268 3.021 86 H ARG 14 H ARG 14 -7.062 -4.122 -0.308 87 HA ARG 14 HA ARG 14 -4.409 -2.957 -0.346 88 HB2 ARG 14 1HB ARG 14 -5.363 -5.759 0.239 89 HB3 ARG 14 2HB ARG 14 -3.670 -5.288 0.240 90 HG2 ARG 14 1HG ARG 14 -4.217 -3.593 1.990 91 HG3 ARG 14 2HG ARG 14 -5.846 -4.267 2.054 92 HD2 ARG 14 1HD ARG 14 -3.289 -5.768 2.624 93 HD3 ARG 14 2HD ARG 14 -4.421 -5.167 3.833 94 HE ARG 14 HE ARG 14 -5.952 -6.749 2.238 95 HH11 ARG 14 1HH1 ARG 14 -2.967 -7.240 4.008 96 HH12 ARG 14 2HH1 ARG 14 -3.272 -8.923 4.307 97 HH21 ARG 14 1HH2 ARG 14 -6.346 -8.962 2.613 98 HH22 ARG 14 2HH2 ARG 14 -5.201 -9.894 3.526 99 H GLN 15 H GLN 15 -6.391 -3.749 -2.696 100 HA GLN 15 HA GLN 15 -4.326 -4.895 -4.431 101 HB2 GLN 15 1HB GLN 15 -7.239 -4.329 -5.023 102 HB3 GLN 15 2HB GLN 15 -6.109 -5.140 -6.093 103 HG2 GLN 15 1HG GLN 15 -5.889 -6.957 -4.468 104 HG3 GLN 15 2HG GLN 15 -7.056 -6.147 -3.423 105 HE21 GLN 15 1HE2 GLN 15 -8.532 -7.805 -3.504 106 HE22 GLN 15 2HE2 GLN 15 -9.452 -8.173 -4.922 107 H ILE 16 H ILE 16 -6.534 -2.149 -4.142 108 HA ILE 16 HA ILE 16 -5.336 -0.641 -6.249 109 HB ILE 16 HB ILE 16 -7.086 0.268 -3.953 110 HG12 ILE 16 1HG1 ILE 16 -7.774 -0.358 -6.839 111 HG13 ILE 16 2HG1 ILE 16 -8.175 -1.368 -5.451 112 HG21 ILE 16 1HG2 ILE 16 -7.499 2.276 -5.328 113 HG22 ILE 16 2HG2 ILE 16 -6.290 1.712 -6.483 114 HG23 ILE 16 3HG2 ILE 16 -5.810 2.131 -4.838 115 HD11 ILE 16 1HD1 ILE 16 -9.188 1.429 -5.930 116 HD12 ILE 16 2HD1 ILE 16 -9.615 0.384 -4.573 117 HD13 ILE 16 3HD1 ILE 16 -10.089 -0.063 -6.213 118 H GLY 17 H GLY 17 -5.054 -0.726 -2.726 119 HA2 GLY 17 1HA GLY 17 -3.048 1.368 -2.713 120 HA3 GLY 17 2HA GLY 17 -3.656 0.489 -1.319 121 H ASN 18 H ASN 18 -2.787 -1.559 -3.833 122 HA ASN 18 HA ASN 18 -0.499 -2.554 -2.398 123 HB2 ASN 18 1HB ASN 18 -2.076 -4.043 -3.636 124 HB3 ASN 18 2HB ASN 18 -1.526 -3.323 -5.141 125 HD21 ASN 18 1HD2 ASN 18 -0.755 -5.248 -5.957 126 HD22 ASN 18 2HD2 ASN 18 0.652 -6.027 -5.332 127 H CYS 19 H CYS 19 1.594 -2.090 -2.780 128 HA CYS 19 HA CYS 19 2.178 0.164 -4.435 129 HB2 CYS 19 1HB CYS 19 3.258 -0.362 -2.206 130 HB3 CYS 19 2HB CYS 19 4.180 -1.609 -3.038 131 HG CYS 19 HG CYS 19 5.010 1.446 -2.611 132 H GLY 20 H GLY 20 1.531 -0.740 -6.473 133 HA2 GLY 20 1HA GLY 20 3.780 -2.186 -7.726 134 HA3 GLY 20 2HA GLY 20 2.105 -2.521 -8.155 135 H ARG 21 H ARG 21 3.318 0.646 -7.422 136 HA ARG 21 HA ARG 21 2.355 1.659 -9.942 137 HB2 ARG 21 1HB ARG 21 3.808 3.082 -7.704 138 HB3 ARG 21 2HB ARG 21 2.979 3.853 -9.049 139 HG2 ARG 21 1HG ARG 21 0.854 2.982 -8.268 140 HG3 ARG 21 2HG ARG 21 1.669 2.141 -6.948 141 HD2 ARG 21 1HD ARG 21 2.498 4.370 -6.164 142 HD3 ARG 21 2HD ARG 21 1.455 5.115 -7.372 143 HE ARG 21 HE ARG 21 -0.348 3.715 -6.104 144 HH11 ARG 21 1HH1 ARG 21 2.351 5.468 -4.731 145 HH12 ARG 21 2HH1 ARG 21 1.561 5.759 -3.216 146 HH21 ARG 21 1HH2 ARG 21 -1.395 4.089 -4.105 147 HH22 ARG 21 2HH2 ARG 21 -0.581 4.979 -2.859 148 H PHE 22 H PHE 22 5.349 0.728 -8.539 149 HA PHE 22 HA PHE 22 6.928 1.929 -10.660 150 HB2 PHE 22 1HB PHE 22 8.856 0.949 -9.453 151 HB3 PHE 22 2HB PHE 22 7.880 1.976 -8.418 152 HD1 PHE 22 HD1 PHE 22 9.086 -1.381 -9.040 153 HD2 PHE 22 HD2 PHE 22 6.458 0.987 -6.674 154 HE1 PHE 22 HE1 PHE 22 8.909 -3.211 -7.410 155 HE2 PHE 22 HE2 PHE 22 6.275 -0.841 -5.045 156 HZ PHE 22 HZ PHE 22 7.501 -2.944 -5.410 157 H ARG 23 H ARG 23 8.506 0.470 -11.795 158 HA ARG 23 HA ARG 23 6.943 -1.635 -12.996 159 HB2 ARG 23 1HB ARG 23 9.722 -0.666 -13.674 160 HB3 ARG 23 2HB ARG 23 8.741 -1.742 -14.653 161 HG2 ARG 23 1HG ARG 23 7.952 1.081 -13.967 162 HG3 ARG 23 2HG ARG 23 8.820 0.629 -15.431 163 HD2 ARG 23 1HD ARG 23 6.472 0.846 -15.935 164 HD3 ARG 23 2HD ARG 23 6.932 -0.849 -16.052 165 HE ARG 23 HE ARG 23 5.684 -1.309 -14.118 166 HH11 ARG 23 1HH1 ARG 23 5.500 2.074 -15.024 167 HH12 ARG 23 2HH1 ARG 23 4.104 2.387 -14.047 168 HH21 ARG 23 1HH2 ARG 23 3.834 -0.890 -12.845 169 HH22 ARG 23 2HH2 ARG 23 3.160 0.707 -12.811 170 H VAL 24 H VAL 24 6.855 -3.448 -11.871 171 HA VAL 24 HA VAL 24 8.851 -4.321 -10.074 172 HB VAL 24 HB VAL 24 6.652 -6.014 -11.268 173 HG11 VAL 24 1HG1 VAL 24 8.172 -6.227 -8.672 174 HG12 VAL 24 2HG1 VAL 24 8.297 -7.309 -10.059 175 HG13 VAL 24 3HG1 VAL 24 6.799 -7.235 -9.132 176 HG21 VAL 24 1HG2 VAL 24 5.289 -5.340 -9.342 177 HG22 VAL 24 2HG2 VAL 24 5.692 -3.966 -10.370 178 HG23 VAL 24 3HG2 VAL 24 6.551 -4.211 -8.851 179 H ARG 25 H ARG 25 8.346 -4.815 -13.447 180 HA ARG 25 HA ARG 25 9.750 -7.191 -13.890 181 HB2 ARG 25 1HB ARG 25 9.653 -4.757 -15.680 182 HB3 ARG 25 2HB ARG 25 10.068 -6.387 -16.182 183 HG2 ARG 25 1HG ARG 25 7.827 -7.145 -15.750 184 HG3 ARG 25 2HG ARG 25 7.391 -5.574 -15.071 185 HD2 ARG 25 1HD ARG 25 8.130 -6.187 -17.934 186 HD3 ARG 25 2HD ARG 25 6.551 -5.699 -17.323 187 HE ARG 25 HE ARG 25 8.721 -3.823 -16.864 188 HH11 ARG 25 1HH1 ARG 25 6.052 -4.752 -18.931 189 HH12 ARG 25 2HH1 ARG 25 5.889 -3.177 -19.638 190 HH21 ARG 25 1HH2 ARG 25 8.524 -1.766 -17.806 191 HH22 ARG 25 2HH2 ARG 25 7.305 -1.478 -19.007 192 H CYS 26 H CYS 26 10.883 -3.966 -13.200 193 HA CYS 26 HA CYS 26 13.583 -4.491 -14.084 194 HB2 CYS 26 1HB CYS 26 12.633 -2.236 -14.280 195 HB3 CYS 26 2HB CYS 26 12.452 -2.153 -12.532 196 HG CYS 26 HG CYS 26 15.426 -2.654 -12.413 197 H CYS 27 H CYS 27 11.968 -3.970 -10.956 198 HA CYS 27 HA CYS 27 14.367 -4.327 -9.461 199 HB2 CYS 27 1HB CYS 27 12.718 -4.439 -7.511 200 HB3 CYS 27 2HB CYS 27 12.735 -2.957 -8.460 201 HG CYS 27 HG CYS 27 10.249 -5.069 -7.908 202 H ARG 28 H ARG 28 11.703 -6.451 -10.384 203 HA ARG 28 HA ARG 28 12.742 -8.609 -8.755 204 HB2 ARG 28 1HB ARG 28 10.304 -8.362 -9.097 205 HB3 ARG 28 2HB ARG 28 10.529 -8.615 -10.822 206 HG2 ARG 28 1HG ARG 28 9.712 -10.628 -9.776 207 HG3 ARG 28 2HG ARG 28 11.352 -10.880 -10.380 208 HD2 ARG 28 1HD ARG 28 12.201 -10.445 -8.085 209 HD3 ARG 28 2HD ARG 28 10.531 -10.356 -7.526 210 HE ARG 28 HE ARG 28 11.298 -12.793 -8.914 211 HH11 ARG 28 1HH1 ARG 28 10.814 -11.175 -5.848 212 HH12 ARG 28 2HH1 ARG 28 10.692 -12.650 -4.943 213 HH21 ARG 28 1HH2 ARG 28 11.144 -14.736 -7.741 214 HH22 ARG 28 2HH2 ARG 28 10.882 -14.686 -6.024 215 H ILE 29 H ILE 29 13.151 -7.391 -11.914 216 HA ILE 29 HA ILE 29 14.609 -7.925 -13.577 217 HB ILE 29 HB ILE 29 15.372 -10.263 -11.821 218 HG12 ILE 29 1HG1 ILE 29 16.795 -7.647 -12.374 219 HG13 ILE 29 2HG1 ILE 29 15.898 -8.020 -10.905 220 HG21 ILE 29 1HG2 ILE 29 16.725 -9.242 -14.319 221 HG22 ILE 29 2HG2 ILE 29 15.820 -10.746 -14.180 222 HG23 ILE 29 3HG2 ILE 29 17.317 -10.530 -13.273 223 HD11 ILE 29 1HD1 ILE 29 18.286 -8.265 -10.568 224 HD12 ILE 29 2HD1 ILE 29 18.364 -9.444 -11.877 225 HD13 ILE 29 3HD1 ILE 29 17.469 -9.819 -10.405 226 H ARG 30 H ARG 30 13.055 -10.831 -12.263 227 HA ARG 30 HA ARG 30 11.711 -12.411 -13.186 228 HB2 ARG 30 1HB ARG 30 10.438 -10.549 -14.162 229 HB3 ARG 30 2HB ARG 30 11.527 -10.520 -15.540 230 HG2 ARG 30 1HG ARG 30 10.820 -12.811 -16.108 231 HG3 ARG 30 2HG ARG 30 9.667 -12.759 -14.775 232 HD2 ARG 30 1HD ARG 30 9.708 -10.912 -17.161 233 HD3 ARG 30 2HD ARG 30 8.590 -12.251 -16.911 234 HE ARG 30 HE ARG 30 8.448 -10.495 -14.712 235 HH11 ARG 30 1HH1 ARG 30 7.605 -10.644 -18.101 236 HH12 ARG 30 2HH1 ARG 30 6.242 -9.585 -17.941 237 HH21 ARG 30 1HH2 ARG 30 6.666 -9.081 -14.494 238 HH22 ARG 30 2HH2 ARG 30 5.720 -8.676 -15.893 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 -17.099 -17.844 -0.045 2 H2 ASN 1 2H ASN 1 -17.669 -19.361 0.425 3 H3 ASN 1 3H ASN 1 -16.026 -18.999 0.564 4 HA ASN 1 HA ASN 1 -17.106 -18.931 2.701 5 HB2 ASN 1 1HB ASN 1 -15.197 -17.442 2.297 6 HB3 ASN 1 2HB ASN 1 -16.282 -16.206 1.677 7 HD21 ASN 1 1HD2 ASN 1 -15.768 -14.682 3.205 8 HD22 ASN 1 2HD2 ASN 1 -16.210 -14.837 4.869 9 H GLY 2 H GLY 2 -18.164 -15.928 1.071 10 HA2 GLY 2 1HA GLY 2 -20.827 -16.421 2.251 11 HA3 GLY 2 2HA GLY 2 -20.107 -14.820 2.136 12 H ALA 3 H ALA 3 -22.625 -15.327 1.100 13 HA ALA 3 HA ALA 3 -22.646 -15.963 -1.646 14 HB1 ALA 3 1HB ALA 3 -24.839 -14.893 -1.694 15 HB2 ALA 3 2HB ALA 3 -24.530 -14.162 -0.120 16 HB3 ALA 3 3HB ALA 3 -24.675 -15.912 -0.264 17 H ILE 4 H ILE 4 -22.194 -12.966 0.114 18 HA ILE 4 HA ILE 4 -21.902 -11.384 -2.275 19 HB ILE 4 HB ILE 4 -21.144 -9.591 -0.689 20 HG12 ILE 4 1HG1 ILE 4 -21.821 -11.692 1.389 21 HG13 ILE 4 2HG1 ILE 4 -20.222 -11.012 1.076 22 HG21 ILE 4 1HG2 ILE 4 -23.371 -9.251 0.295 23 HG22 ILE 4 2HG2 ILE 4 -23.789 -10.914 -0.114 24 HG23 ILE 4 3HG2 ILE 4 -23.453 -9.749 -1.393 25 HD11 ILE 4 1HD1 ILE 4 -21.010 -8.825 1.821 26 HD12 ILE 4 2HD1 ILE 4 -21.229 -10.051 3.069 27 HD13 ILE 4 3HD1 ILE 4 -22.610 -9.501 2.121 28 H CYS 5 H CYS 5 -19.971 -10.341 -2.910 29 HA CYS 5 HA CYS 5 -17.615 -12.010 -2.452 30 HB2 CYS 5 1HB CYS 5 -18.076 -9.866 -4.534 31 HB3 CYS 5 2HB CYS 5 -16.730 -10.998 -4.481 32 HG CYS 5 HG CYS 5 -19.058 -13.055 -4.475 33 H TRP 6 H TRP 6 -18.756 -9.718 -0.742 34 HA TRP 6 HA TRP 6 -16.179 -8.420 -0.284 35 HB2 TRP 6 1HB TRP 6 -17.282 -6.230 0.005 36 HB3 TRP 6 2HB TRP 6 -17.467 -6.834 -1.635 37 HD1 TRP 6 HD1 TRP 6 -19.948 -7.825 -2.272 38 HE1 TRP 6 HE1 TRP 6 -22.269 -7.142 -1.402 39 HE3 TRP 6 HE3 TRP 6 -18.524 -5.364 1.969 40 HZ2 TRP 6 HZ2 TRP 6 -23.352 -5.731 0.798 41 HZ3 TRP 6 HZ3 TRP 6 -20.261 -4.370 3.398 42 HH2 TRP 6 HH2 TRP 6 -22.623 -4.549 2.822 43 H GLY 7 H GLY 7 -16.528 -6.980 1.837 44 HA2 GLY 7 1HA GLY 7 -18.369 -8.044 3.750 45 HA3 GLY 7 2HA GLY 7 -16.734 -8.646 3.992 46 HA PRO 8 HA PRO 8 -16.984 -4.737 6.434 47 HB2 PRO 8 1HB PRO 8 -14.905 -6.148 7.983 48 HB3 PRO 8 2HB PRO 8 -16.400 -5.390 8.542 49 HG2 PRO 8 1HG PRO 8 -16.129 -8.051 8.478 50 HG3 PRO 8 2HG PRO 8 -17.674 -7.266 8.103 51 HD2 PRO 8 1HD PRO 8 -15.630 -8.414 6.240 52 HD3 PRO 8 2HD PRO 8 -17.402 -8.515 6.169 53 H CYS 9 H CYS 9 -14.427 -6.548 4.972 54 HA CYS 9 HA CYS 9 -12.869 -4.085 4.648 55 HB2 CYS 9 1HB CYS 9 -11.774 -6.795 5.427 56 HB3 CYS 9 2HB CYS 9 -10.786 -5.414 4.962 57 HG CYS 9 HG CYS 9 -12.454 -4.065 7.212 58 HA PRO 10 HA PRO 10 -13.722 -5.837 0.476 59 HB2 PRO 10 1HB PRO 10 -12.809 -3.074 -0.137 60 HB3 PRO 10 2HB PRO 10 -14.209 -3.956 -0.757 61 HG2 PRO 10 1HG PRO 10 -14.533 -2.031 1.039 62 HG3 PRO 10 2HG PRO 10 -15.480 -3.528 1.145 63 HD2 PRO 10 1HD PRO 10 -13.077 -2.691 2.727 64 HD3 PRO 10 2HD PRO 10 -14.547 -3.524 3.272 65 H THR 11 H THR 11 -12.216 -7.002 -0.494 66 HA THR 11 HA THR 11 -9.458 -6.724 0.082 67 HB THR 11 HB THR 11 -10.745 -8.372 -2.106 68 HG1 THR 11 HG1 THR 11 -10.275 -8.914 0.660 69 HG21 THR 11 1HG2 THR 11 -8.309 -8.180 -2.310 70 HG22 THR 11 2HG2 THR 11 -8.773 -9.812 -1.829 71 HG23 THR 11 3HG2 THR 11 -8.122 -8.691 -0.633 72 H ALA 12 H ALA 12 -11.514 -5.652 -2.529 73 HA ALA 12 HA ALA 12 -9.486 -4.997 -4.390 74 HB1 ALA 12 1HB ALA 12 -12.220 -3.762 -4.076 75 HB2 ALA 12 2HB ALA 12 -11.847 -5.207 -5.015 76 HB3 ALA 12 3HB ALA 12 -11.181 -3.647 -5.497 77 H PHE 13 H PHE 13 -10.799 -3.356 -1.605 78 HA PHE 13 HA PHE 13 -9.718 -0.790 -2.127 79 HB2 PHE 13 1HB PHE 13 -11.514 -1.226 -0.470 80 HB3 PHE 13 2HB PHE 13 -10.350 -2.069 0.542 81 HD1 PHE 13 HD1 PHE 13 -11.452 1.185 -0.706 82 HD2 PHE 13 HD2 PHE 13 -8.713 -0.865 1.821 83 HE1 PHE 13 HE1 PHE 13 -10.880 3.306 0.391 84 HE2 PHE 13 HE2 PHE 13 -8.134 1.253 2.920 85 HZ PHE 13 HZ PHE 13 -9.220 3.345 2.207 86 H ARG 14 H ARG 14 -8.512 -3.679 -0.551 87 HA ARG 14 HA ARG 14 -6.058 -2.453 0.323 88 HB2 ARG 14 1HB ARG 14 -6.868 -5.364 0.181 89 HB3 ARG 14 2HB ARG 14 -5.419 -4.754 0.967 90 HG2 ARG 14 1HG ARG 14 -6.816 -3.488 2.536 91 HG3 ARG 14 2HG ARG 14 -8.260 -4.130 1.755 92 HD2 ARG 14 1HD ARG 14 -7.575 -6.405 2.363 93 HD3 ARG 14 2HD ARG 14 -6.130 -5.762 3.143 94 HE ARG 14 HE ARG 14 -8.495 -4.576 4.195 95 HH11 ARG 14 1HH1 ARG 14 -6.542 -7.476 4.310 96 HH12 ARG 14 2HH1 ARG 14 -7.057 -7.917 5.904 97 HH21 ARG 14 1HH2 ARG 14 -9.169 -5.151 6.308 98 HH22 ARG 14 2HH2 ARG 14 -8.546 -6.590 7.046 99 H GLN 15 H GLN 15 -7.215 -4.114 -2.462 100 HA GLN 15 HA GLN 15 -4.783 -4.900 -3.633 101 HB2 GLN 15 1HB GLN 15 -6.895 -5.755 -4.447 102 HB3 GLN 15 2HB GLN 15 -7.433 -4.141 -4.873 103 HG2 GLN 15 1HG GLN 15 -5.574 -4.035 -6.525 104 HG3 GLN 15 2HG GLN 15 -5.234 -5.726 -6.170 105 HE21 GLN 15 1HE2 GLN 15 -8.034 -6.420 -5.834 106 HE22 GLN 15 2HE2 GLN 15 -8.725 -6.442 -7.415 107 H ILE 16 H ILE 16 -6.442 -1.854 -3.447 108 HA ILE 16 HA ILE 16 -5.043 -0.514 -5.515 109 HB ILE 16 HB ILE 16 -6.382 0.638 -3.060 110 HG12 ILE 16 1HG1 ILE 16 -7.958 -0.647 -4.419 111 HG13 ILE 16 2HG1 ILE 16 -8.286 1.076 -4.581 112 HG21 ILE 16 1HG2 ILE 16 -6.474 2.734 -4.312 113 HG22 ILE 16 2HG2 ILE 16 -5.587 1.986 -5.638 114 HG23 ILE 16 3HG2 ILE 16 -4.808 2.206 -4.072 115 HD11 ILE 16 1HD1 ILE 16 -8.484 -0.029 -6.715 116 HD12 ILE 16 2HD1 ILE 16 -6.843 -0.658 -6.575 117 HD13 ILE 16 3HD1 ILE 16 -7.111 1.077 -6.735 118 H GLY 17 H GLY 17 -4.417 -1.090 -2.115 119 HA2 GLY 17 1HA GLY 17 -2.089 0.637 -2.080 120 HA3 GLY 17 2HA GLY 17 -2.646 -0.396 -0.770 121 H ASN 18 H ASN 18 -1.029 -0.420 -3.906 122 HA ASN 18 HA ASN 18 -0.259 -3.165 -3.680 123 HB2 ASN 18 1HB ASN 18 0.683 -1.016 -5.587 124 HB3 ASN 18 2HB ASN 18 1.098 -2.719 -5.716 125 HD21 ASN 18 1HD2 ASN 18 -0.544 -4.218 -6.250 126 HD22 ASN 18 2HD2 ASN 18 -2.000 -3.703 -7.023 127 H CYS 19 H CYS 19 1.607 -0.112 -3.560 128 HA CYS 19 HA CYS 19 3.554 -1.461 -1.854 129 HB2 CYS 19 1HB CYS 19 4.302 -1.724 -4.226 130 HB3 CYS 19 2HB CYS 19 4.369 0.028 -4.355 131 HG CYS 19 HG CYS 19 6.504 -2.097 -2.848 132 H GLY 20 H GLY 20 4.868 -0.013 -0.639 133 HA2 GLY 20 1HA GLY 20 5.604 2.209 -0.113 134 HA3 GLY 20 2HA GLY 20 4.117 2.823 -0.819 135 H ARG 21 H ARG 21 2.318 1.052 0.476 136 HA ARG 21 HA ARG 21 2.067 2.520 2.921 137 HB2 ARG 21 1HB ARG 21 -0.040 1.360 3.233 138 HB3 ARG 21 2HB ARG 21 0.091 1.944 1.582 139 HG2 ARG 21 1HG ARG 21 0.551 -0.250 0.769 140 HG3 ARG 21 2HG ARG 21 0.688 -0.884 2.411 141 HD2 ARG 21 1HD ARG 21 -1.674 -0.352 2.801 142 HD3 ARG 21 2HD ARG 21 -1.806 0.264 1.156 143 HE ARG 21 HE ARG 21 -1.075 -2.131 0.548 144 HH11 ARG 21 1HH1 ARG 21 -3.132 -1.267 3.249 145 HH12 ARG 21 2HH1 ARG 21 -3.971 -2.784 3.261 146 HH21 ARG 21 1HH2 ARG 21 -2.178 -4.117 0.547 147 HH22 ARG 21 2HH2 ARG 21 -3.419 -4.420 1.717 148 H PHE 22 H PHE 22 3.682 -0.287 2.107 149 HA PHE 22 HA PHE 22 3.336 -1.590 4.677 150 HB2 PHE 22 1HB PHE 22 4.587 -3.391 3.788 151 HB3 PHE 22 2HB PHE 22 3.585 -2.831 2.461 152 HD1 PHE 22 HD1 PHE 22 6.905 -3.447 3.632 153 HD2 PHE 22 HD2 PHE 22 4.641 -1.386 0.681 154 HE1 PHE 22 HE1 PHE 22 8.919 -3.222 2.251 155 HE2 PHE 22 HE2 PHE 22 6.654 -1.151 -0.705 156 HZ PHE 22 HZ PHE 22 8.801 -2.070 0.078 157 H ARG 23 H ARG 23 5.234 -2.126 6.001 158 HA ARG 23 HA ARG 23 7.062 0.162 6.059 159 HB2 ARG 23 1HB ARG 23 6.395 -1.841 8.220 160 HB3 ARG 23 2HB ARG 23 7.467 -0.463 8.407 161 HG2 ARG 23 1HG ARG 23 4.524 -0.297 7.774 162 HG3 ARG 23 2HG ARG 23 5.238 -0.082 9.370 163 HD2 ARG 23 1HD ARG 23 4.844 2.091 8.487 164 HD3 ARG 23 2HD ARG 23 6.581 1.813 8.404 165 HE ARG 23 HE ARG 23 5.295 1.096 5.967 166 HH11 ARG 23 1HH1 ARG 23 6.430 3.843 7.808 167 HH12 ARG 23 2HH1 ARG 23 6.668 4.841 6.410 168 HH21 ARG 23 1HH2 ARG 23 5.605 2.407 4.126 169 HH22 ARG 23 2HH2 ARG 23 6.195 4.027 4.318 170 H VAL 24 H VAL 24 9.246 -0.087 6.043 171 HA VAL 24 HA VAL 24 10.201 -2.432 4.722 172 HB VAL 24 HB VAL 24 12.369 -1.339 4.654 173 HG11 VAL 24 1HG1 VAL 24 10.103 0.559 4.068 174 HG12 VAL 24 2HG1 VAL 24 10.733 -0.686 2.992 175 HG13 VAL 24 3HG1 VAL 24 11.740 0.693 3.428 176 HG21 VAL 24 1HG2 VAL 24 12.415 -0.366 6.883 177 HG22 VAL 24 2HG2 VAL 24 11.144 0.768 6.430 178 HG23 VAL 24 3HG2 VAL 24 12.727 0.867 5.663 179 H ARG 25 H ARG 25 9.616 -1.922 7.908 180 HA ARG 25 HA ARG 25 11.971 -3.165 9.016 181 HB2 ARG 25 1HB ARG 25 9.312 -2.389 10.213 182 HB3 ARG 25 2HB ARG 25 10.584 -3.170 11.135 183 HG2 ARG 25 1HG ARG 25 10.740 -0.478 9.794 184 HG3 ARG 25 2HG ARG 25 10.599 -0.794 11.525 185 HD2 ARG 25 1HD ARG 25 12.769 -2.070 11.347 186 HD3 ARG 25 2HD ARG 25 12.924 -1.425 9.715 187 HE ARG 25 HE ARG 25 12.563 0.483 11.896 188 HH11 ARG 25 1HH1 ARG 25 14.688 -1.016 9.554 189 HH12 ARG 25 2HH1 ARG 25 15.945 0.164 9.748 190 HH21 ARG 25 1HH2 ARG 25 14.221 2.023 12.177 191 HH22 ARG 25 2HH2 ARG 25 15.685 1.883 11.254 192 H CYS 26 H CYS 26 9.227 -4.289 7.455 193 HA CYS 26 HA CYS 26 8.541 -6.551 8.993 194 HB2 CYS 26 1HB CYS 26 7.439 -7.340 6.898 195 HB3 CYS 26 2HB CYS 26 7.006 -5.693 7.347 196 HG CYS 26 HG CYS 26 7.975 -4.470 5.266 197 H CYS 27 H CYS 27 11.206 -5.942 6.948 198 HA CYS 27 HA CYS 27 11.706 -8.511 5.926 199 HB2 CYS 27 1HB CYS 27 14.039 -7.662 5.614 200 HB3 CYS 27 2HB CYS 27 12.793 -6.606 4.956 201 HG CYS 27 HG CYS 27 14.793 -6.110 7.659 202 H ARG 28 H ARG 28 12.270 -7.143 9.065 203 HA ARG 28 HA ARG 28 14.160 -9.203 9.813 204 HB2 ARG 28 1HB ARG 28 14.409 -6.933 10.733 205 HB3 ARG 28 2HB ARG 28 12.827 -7.061 11.491 206 HG2 ARG 28 1HG ARG 28 13.615 -8.845 12.915 207 HG3 ARG 28 2HG ARG 28 15.186 -8.823 12.115 208 HD2 ARG 28 1HD ARG 28 15.605 -6.584 12.925 209 HD3 ARG 28 2HD ARG 28 13.990 -6.506 13.629 210 HE ARG 28 HE ARG 28 14.863 -8.556 14.959 211 HH11 ARG 28 1HH1 ARG 28 16.715 -5.724 14.066 212 HH12 ARG 28 2HH1 ARG 28 17.771 -5.829 15.434 213 HH21 ARG 28 1HH2 ARG 28 16.239 -8.695 16.761 214 HH22 ARG 28 2HH2 ARG 28 17.499 -7.523 16.976 215 H ILE 29 H ILE 29 10.806 -8.827 9.689 216 HA ILE 29 HA ILE 29 10.305 -10.817 11.772 217 HB ILE 29 HB ILE 29 8.336 -9.289 10.053 218 HG12 ILE 29 1HG1 ILE 29 9.150 -8.902 12.947 219 HG13 ILE 29 2HG1 ILE 29 9.574 -7.840 11.607 220 HG21 ILE 29 1HG2 ILE 29 7.857 -11.047 12.462 221 HG22 ILE 29 2HG2 ILE 29 7.450 -11.444 10.793 222 HG23 ILE 29 3HG2 ILE 29 6.634 -10.108 11.605 223 HD11 ILE 29 1HD1 ILE 29 7.756 -6.918 12.923 224 HD12 ILE 29 2HD1 ILE 29 6.792 -8.367 12.627 225 HD13 ILE 29 3HD1 ILE 29 7.217 -7.300 11.287 226 H ARG 30 H ARG 30 9.778 -10.310 8.301 227 HA ARG 30 HA ARG 30 9.486 -13.230 8.017 228 HB2 ARG 30 1HB ARG 30 8.165 -11.045 6.399 229 HB3 ARG 30 2HB ARG 30 8.108 -12.755 5.994 230 HG2 ARG 30 1HG ARG 30 6.952 -13.213 8.101 231 HG3 ARG 30 2HG ARG 30 7.011 -11.493 8.495 232 HD2 ARG 30 1HD ARG 30 4.833 -12.144 7.568 233 HD3 ARG 30 2HD ARG 30 5.662 -10.968 6.552 234 HE ARG 30 HE ARG 30 6.267 -13.565 5.646 235 HH11 ARG 30 1HH1 ARG 30 3.576 -11.337 5.803 236 HH12 ARG 30 2HH1 ARG 30 2.819 -11.947 4.365 237 HH21 ARG 30 1HH2 ARG 30 5.277 -14.374 3.752 238 HH22 ARG 30 2HH2 ARG 30 3.802 -13.659 3.186 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 -26.812 -7.558 6.319 2 H2 ASN 1 2H ASN 1 -26.270 -6.153 5.553 3 H3 ASN 1 3H ASN 1 -27.509 -6.065 6.702 4 HA ASN 1 HA ASN 1 -25.995 -6.806 8.420 5 HB2 ASN 1 1HB ASN 1 -23.600 -6.931 7.972 6 HB3 ASN 1 2HB ASN 1 -24.468 -8.077 6.960 7 HD21 ASN 1 1HD2 ASN 1 -21.825 -6.840 6.621 8 HD22 ASN 1 2HD2 ASN 1 -21.872 -6.058 5.075 9 H GLY 2 H GLY 2 -25.807 -4.368 5.897 10 HA2 GLY 2 1HA GLY 2 -26.158 -2.212 7.571 11 HA3 GLY 2 2HA GLY 2 -24.420 -2.445 7.492 12 H ALA 3 H ALA 3 -24.987 -0.123 6.622 13 HA ALA 3 HA ALA 3 -25.569 -0.215 3.748 14 HB1 ALA 3 1HB ALA 3 -25.851 2.211 3.920 15 HB2 ALA 3 2HB ALA 3 -25.410 2.141 5.626 16 HB3 ALA 3 3HB ALA 3 -26.887 1.357 5.063 17 H ILE 4 H ILE 4 -23.052 -1.086 4.930 18 HA ILE 4 HA ILE 4 -21.131 0.950 4.184 19 HB ILE 4 HB ILE 4 -19.448 -0.851 4.836 20 HG12 ILE 4 1HG1 ILE 4 -21.980 -2.187 5.837 21 HG13 ILE 4 2HG1 ILE 4 -20.879 -2.815 4.610 22 HG21 ILE 4 1HG2 ILE 4 -20.013 1.006 6.288 23 HG22 ILE 4 2HG2 ILE 4 -19.804 -0.463 7.239 24 HG23 ILE 4 3HG2 ILE 4 -21.425 0.137 6.890 25 HD11 ILE 4 1HD1 ILE 4 -20.583 -3.926 6.757 26 HD12 ILE 4 2HD1 ILE 4 -20.210 -2.377 7.514 27 HD13 ILE 4 3HD1 ILE 4 -19.132 -3.044 6.287 28 H CYS 5 H CYS 5 -21.033 1.210 2.027 29 HA CYS 5 HA CYS 5 -21.351 -0.960 0.195 30 HB2 CYS 5 1HB CYS 5 -20.532 1.915 -0.218 31 HB3 CYS 5 2HB CYS 5 -20.768 0.766 -1.533 32 HG CYS 5 HG CYS 5 -23.489 0.304 -0.257 33 H TRP 6 H TRP 6 -18.631 0.474 1.774 34 HA TRP 6 HA TRP 6 -16.723 -0.646 -0.075 35 HB2 TRP 6 1HB TRP 6 -16.275 0.459 2.710 36 HB3 TRP 6 2HB TRP 6 -15.017 0.047 1.558 37 HD1 TRP 6 HD1 TRP 6 -16.982 2.918 2.719 38 HE1 TRP 6 HE1 TRP 6 -16.746 4.910 1.112 39 HE3 TRP 6 HE3 TRP 6 -14.860 0.507 -1.262 40 HZ2 TRP 6 HZ2 TRP 6 -15.790 5.394 -1.498 41 HZ3 TRP 6 HZ3 TRP 6 -14.318 1.813 -3.271 42 HH2 TRP 6 HH2 TRP 6 -14.773 4.203 -3.386 43 H GLY 7 H GLY 7 -18.460 -1.652 2.711 44 HA2 GLY 7 1HA GLY 7 -18.817 -3.923 3.229 45 HA3 GLY 7 2HA GLY 7 -17.319 -4.325 2.408 46 HA PRO 8 HA PRO 8 -16.719 -4.085 7.136 47 HB2 PRO 8 1HB PRO 8 -16.494 -7.018 6.943 48 HB3 PRO 8 2HB PRO 8 -17.384 -6.036 8.111 49 HG2 PRO 8 1HG PRO 8 -18.644 -7.466 6.225 50 HG3 PRO 8 2HG PRO 8 -19.252 -5.891 6.769 51 HD2 PRO 8 1HD PRO 8 -17.727 -6.578 4.283 52 HD3 PRO 8 2HD PRO 8 -19.103 -5.479 4.493 53 H CYS 9 H CYS 9 -15.400 -6.353 4.737 54 HA CYS 9 HA CYS 9 -12.728 -5.313 5.316 55 HB2 CYS 9 1HB CYS 9 -13.410 -8.257 5.163 56 HB3 CYS 9 2HB CYS 9 -11.784 -7.592 5.287 57 HG CYS 9 HG CYS 9 -13.394 -6.284 7.748 58 HA PRO 10 HA PRO 10 -13.608 -5.157 0.816 59 HB2 PRO 10 1HB PRO 10 -11.376 -3.223 0.998 60 HB3 PRO 10 2HB PRO 10 -12.970 -3.033 0.259 61 HG2 PRO 10 1HG PRO 10 -12.359 -1.820 2.557 62 HG3 PRO 10 2HG PRO 10 -13.978 -2.485 2.269 63 HD2 PRO 10 1HD PRO 10 -11.727 -3.609 3.892 64 HD3 PRO 10 2HD PRO 10 -13.466 -3.588 4.243 65 H THR 11 H THR 11 -12.552 -6.120 -0.858 66 HA THR 11 HA THR 11 -9.871 -7.190 -0.288 67 HB THR 11 HB THR 11 -11.644 -8.907 -0.599 68 HG1 THR 11 HG1 THR 11 -9.860 -9.884 -1.219 69 HG21 THR 11 1HG2 THR 11 -13.075 -7.753 -2.185 70 HG22 THR 11 2HG2 THR 11 -12.544 -9.290 -2.864 71 HG23 THR 11 3HG2 THR 11 -11.797 -7.785 -3.398 72 H ALA 12 H ALA 12 -11.208 -4.701 -1.757 73 HA ALA 12 HA ALA 12 -10.002 -4.837 -4.364 74 HB1 ALA 12 1HB ALA 12 -12.101 -3.651 -4.020 75 HB2 ALA 12 2HB ALA 12 -10.857 -2.576 -4.653 76 HB3 ALA 12 3HB ALA 12 -11.288 -2.516 -2.945 77 H PHE 13 H PHE 13 -8.465 -4.693 -1.612 78 HA PHE 13 HA PHE 13 -6.913 -2.310 -1.866 79 HB2 PHE 13 1HB PHE 13 -6.564 -4.790 -0.194 80 HB3 PHE 13 2HB PHE 13 -5.408 -3.467 -0.180 81 HD1 PHE 13 HD1 PHE 13 -6.432 -1.101 0.264 82 HD2 PHE 13 HD2 PHE 13 -8.301 -4.773 1.321 83 HE1 PHE 13 HE1 PHE 13 -7.787 0.073 1.942 84 HE2 PHE 13 HE2 PHE 13 -9.657 -3.602 2.999 85 HZ PHE 13 HZ PHE 13 -9.404 -1.176 3.313 86 H ARG 14 H ARG 14 -6.660 -5.570 -3.068 87 HA ARG 14 HA ARG 14 -3.973 -5.421 -3.962 88 HB2 ARG 14 1HB ARG 14 -5.360 -7.524 -3.758 89 HB3 ARG 14 2HB ARG 14 -6.212 -7.026 -5.210 90 HG2 ARG 14 1HG ARG 14 -4.529 -8.651 -5.758 91 HG3 ARG 14 2HG ARG 14 -4.105 -7.087 -6.458 92 HD2 ARG 14 1HD ARG 14 -2.518 -6.679 -4.674 93 HD3 ARG 14 2HD ARG 14 -2.997 -8.172 -3.868 94 HE ARG 14 HE ARG 14 -2.117 -8.745 -6.488 95 HH11 ARG 14 1HH1 ARG 14 -0.902 -7.728 -3.368 96 HH12 ARG 14 2HH1 ARG 14 0.663 -8.440 -3.598 97 HH21 ARG 14 1HH2 ARG 14 -0.056 -9.686 -6.801 98 HH22 ARG 14 2HH2 ARG 14 1.145 -9.553 -5.556 99 H GLN 15 H GLN 15 -7.010 -4.299 -5.188 100 HA GLN 15 HA GLN 15 -6.161 -3.645 -7.826 101 HB2 GLN 15 1HB GLN 15 -8.537 -3.979 -7.135 102 HB3 GLN 15 2HB GLN 15 -8.445 -2.490 -6.210 103 HG2 GLN 15 1HG GLN 15 -7.977 -1.266 -8.299 104 HG3 GLN 15 2HG GLN 15 -8.179 -2.770 -9.191 105 HE21 GLN 15 1HE2 GLN 15 -10.114 -1.930 -6.411 106 HE22 GLN 15 2HE2 GLN 15 -11.594 -1.690 -7.270 107 H ILE 16 H ILE 16 -5.661 -2.275 -4.766 108 HA ILE 16 HA ILE 16 -5.005 0.371 -5.825 109 HB ILE 16 HB ILE 16 -4.920 -0.621 -2.965 110 HG12 ILE 16 1HG1 ILE 16 -7.042 1.044 -4.351 111 HG13 ILE 16 2HG1 ILE 16 -7.211 -0.660 -3.937 112 HG21 ILE 16 1HG2 ILE 16 -3.461 1.289 -3.365 113 HG22 ILE 16 2HG2 ILE 16 -4.847 1.761 -2.383 114 HG23 ILE 16 3HG2 ILE 16 -4.799 2.176 -4.095 115 HD11 ILE 16 1HD1 ILE 16 -7.016 -0.111 -1.573 116 HD12 ILE 16 2HD1 ILE 16 -8.347 0.762 -2.330 117 HD13 ILE 16 3HD1 ILE 16 -6.832 1.594 -1.980 118 H GLY 17 H GLY 17 -3.563 -2.467 -4.339 119 HA2 GLY 17 1HA GLY 17 -0.947 -1.289 -4.105 120 HA3 GLY 17 2HA GLY 17 -1.379 -2.956 -3.765 121 H ASN 18 H ASN 18 -0.954 -0.709 -6.465 122 HA ASN 18 HA ASN 18 0.926 -2.420 -7.746 123 HB2 ASN 18 1HB ASN 18 -0.314 -2.840 -9.815 124 HB3 ASN 18 2HB ASN 18 -1.145 -3.573 -8.451 125 HD21 ASN 18 1HD2 ASN 18 -3.103 -2.733 -7.770 126 HD22 ASN 18 2HD2 ASN 18 -4.028 -1.641 -8.741 127 H CYS 19 H CYS 19 1.494 -1.421 -9.972 128 HA CYS 19 HA CYS 19 1.344 1.504 -9.666 129 HB2 CYS 19 1HB CYS 19 3.645 -0.125 -10.764 130 HB3 CYS 19 2HB CYS 19 3.609 1.623 -10.567 131 HG CYS 19 HG CYS 19 2.971 0.841 -7.639 132 H GLY 20 H GLY 20 -0.649 0.875 -11.049 133 HA2 GLY 20 1HA GLY 20 -1.694 1.192 -13.068 134 HA3 GLY 20 2HA GLY 20 -0.166 1.814 -13.675 135 H ARG 21 H ARG 21 -1.135 -1.383 -12.475 136 HA ARG 21 HA ARG 21 0.236 -2.661 -14.660 137 HB2 ARG 21 1HB ARG 21 0.289 -3.696 -12.466 138 HB3 ARG 21 2HB ARG 21 -1.464 -3.785 -12.426 139 HG2 ARG 21 1HG ARG 21 -1.480 -5.408 -14.191 140 HG3 ARG 21 2HG ARG 21 0.260 -5.230 -14.424 141 HD2 ARG 21 1HD ARG 21 -0.321 -7.251 -13.141 142 HD3 ARG 21 2HD ARG 21 0.685 -6.129 -12.226 143 HE ARG 21 HE ARG 21 -2.235 -6.155 -11.855 144 HH11 ARG 21 1HH1 ARG 21 0.999 -6.567 -10.589 145 HH12 ARG 21 2HH1 ARG 21 0.487 -6.604 -8.933 146 HH21 ARG 21 1HH2 ARG 21 -2.920 -6.217 -9.662 147 HH22 ARG 21 2HH2 ARG 21 -1.733 -6.414 -8.409 148 H PHE 22 H PHE 22 -3.002 -1.735 -13.892 149 HA PHE 22 HA PHE 22 -3.902 -2.833 -16.455 150 HB2 PHE 22 1HB PHE 22 -6.097 -3.377 -15.382 151 HB3 PHE 22 2HB PHE 22 -4.763 -4.362 -14.800 152 HD1 PHE 22 HD1 PHE 22 -3.912 -4.098 -12.546 153 HD2 PHE 22 HD2 PHE 22 -7.191 -1.785 -13.956 154 HE1 PHE 22 HE1 PHE 22 -4.455 -3.467 -10.237 155 HE2 PHE 22 HE2 PHE 22 -7.738 -1.149 -11.648 156 HZ PHE 22 HZ PHE 22 -6.367 -1.987 -9.784 157 H ARG 23 H ARG 23 -6.160 -1.829 -16.961 158 HA ARG 23 HA ARG 23 -5.798 0.934 -17.176 159 HB2 ARG 23 1HB ARG 23 -8.003 1.031 -18.177 160 HB3 ARG 23 2HB ARG 23 -7.121 -0.349 -18.799 161 HG2 ARG 23 1HG ARG 23 -9.232 -0.493 -16.655 162 HG3 ARG 23 2HG ARG 23 -9.521 -0.781 -18.369 163 HD2 ARG 23 1HD ARG 23 -7.740 -2.381 -16.531 164 HD3 ARG 23 2HD ARG 23 -9.279 -2.891 -17.219 165 HE ARG 23 HE ARG 23 -7.622 -2.258 -19.356 166 HH11 ARG 23 1HH1 ARG 23 -7.718 -4.592 -16.742 167 HH12 ARG 23 2HH1 ARG 23 -6.810 -5.790 -17.609 168 HH21 ARG 23 1HH2 ARG 23 -6.458 -3.834 -20.505 169 HH22 ARG 23 2HH2 ARG 23 -6.087 -5.355 -19.756 170 H VAL 24 H VAL 24 -5.920 2.398 -15.683 171 HA VAL 24 HA VAL 24 -7.441 1.924 -13.256 172 HB VAL 24 HB VAL 24 -5.690 4.282 -13.977 173 HG11 VAL 24 1HG1 VAL 24 -5.605 4.657 -11.546 174 HG12 VAL 24 2HG1 VAL 24 -6.755 3.340 -11.317 175 HG13 VAL 24 3HG1 VAL 24 -7.243 4.795 -12.187 176 HG21 VAL 24 1HG2 VAL 24 -4.416 2.202 -14.014 177 HG22 VAL 24 2HG2 VAL 24 -5.010 1.799 -12.404 178 HG23 VAL 24 3HG2 VAL 24 -3.959 3.196 -12.631 179 H ARG 25 H ARG 25 -7.733 3.607 -16.215 180 HA ARG 25 HA ARG 25 -9.336 5.773 -15.622 181 HB2 ARG 25 1HB ARG 25 -9.506 3.920 -18.002 182 HB3 ARG 25 2HB ARG 25 -10.268 5.501 -17.912 183 HG2 ARG 25 1HG ARG 25 -8.091 6.565 -17.722 184 HG3 ARG 25 2HG ARG 25 -7.307 4.984 -17.750 185 HD2 ARG 25 1HD ARG 25 -8.263 4.594 -19.995 186 HD3 ARG 25 2HD ARG 25 -8.940 6.221 -19.963 187 HE ARG 25 HE ARG 25 -6.331 6.682 -19.513 188 HH11 ARG 25 1HH1 ARG 25 -7.993 4.781 -21.934 189 HH12 ARG 25 2HH1 ARG 25 -6.763 4.998 -23.137 190 HH21 ARG 25 1HH2 ARG 25 -4.698 6.956 -21.084 191 HH22 ARG 25 2HH2 ARG 25 -4.885 6.241 -22.653 192 H CYS 26 H CYS 26 -10.261 2.392 -15.969 193 HA CYS 26 HA CYS 26 -13.053 2.825 -15.746 194 HB2 CYS 26 1HB CYS 26 -11.447 0.341 -15.112 195 HB3 CYS 26 2HB CYS 26 -13.189 0.409 -15.353 196 HG CYS 26 HG CYS 26 -12.643 1.541 -18.051 197 H CYS 27 H CYS 27 -10.483 2.243 -13.424 198 HA CYS 27 HA CYS 27 -12.255 1.898 -11.191 199 HB2 CYS 27 1HB CYS 27 -9.288 2.487 -11.179 200 HB3 CYS 27 2HB CYS 27 -10.235 1.801 -9.861 201 HG CYS 27 HG CYS 27 -10.075 -0.670 -10.577 202 H ARG 28 H ARG 28 -11.353 4.562 -12.952 203 HA ARG 28 HA ARG 28 -11.334 6.429 -10.736 204 HB2 ARG 28 1HB ARG 28 -11.315 6.881 -13.728 205 HB3 ARG 28 2HB ARG 28 -11.205 8.162 -12.529 206 HG2 ARG 28 1HG ARG 28 -9.101 7.276 -11.725 207 HG3 ARG 28 2HG ARG 28 -9.224 5.914 -12.840 208 HD2 ARG 28 1HD ARG 28 -9.207 7.522 -14.724 209 HD3 ARG 28 2HD ARG 28 -8.957 8.828 -13.572 210 HE ARG 28 HE ARG 28 -6.911 7.201 -13.006 211 HH11 ARG 28 1HH1 ARG 28 -8.119 8.399 -16.069 212 HH12 ARG 28 2HH1 ARG 28 -6.554 8.403 -16.823 213 HH21 ARG 28 1HH2 ARG 28 -4.858 7.210 -13.983 214 HH22 ARG 28 2HH2 ARG 28 -4.692 7.739 -15.630 215 H ILE 29 H ILE 29 -13.541 5.206 -13.139 216 HA ILE 29 HA ILE 29 -15.607 7.081 -12.252 217 HB ILE 29 HB ILE 29 -15.391 6.943 -14.654 218 HG12 ILE 29 1HG1 ILE 29 -17.888 5.483 -13.752 219 HG13 ILE 29 2HG1 ILE 29 -17.658 7.229 -13.713 220 HG21 ILE 29 1HG2 ILE 29 -14.384 4.759 -14.882 221 HG22 ILE 29 2HG2 ILE 29 -15.832 4.853 -15.886 222 HG23 ILE 29 3HG2 ILE 29 -15.875 3.982 -14.353 223 HD11 ILE 29 1HD1 ILE 29 -17.702 5.504 -16.180 224 HD12 ILE 29 2HD1 ILE 29 -17.459 7.251 -16.148 225 HD13 ILE 29 3HD1 ILE 29 -18.995 6.564 -15.620 226 H ARG 30 H ARG 30 -14.876 3.647 -12.454 227 HA ARG 30 HA ARG 30 -15.688 1.816 -11.395 228 HB2 ARG 30 1HB ARG 30 -16.774 3.809 -9.404 229 HB3 ARG 30 2HB ARG 30 -16.552 2.087 -9.132 230 HG2 ARG 30 1HG ARG 30 -14.181 2.302 -9.247 231 HG3 ARG 30 2HG ARG 30 -14.307 3.988 -9.755 232 HD2 ARG 30 1HD ARG 30 -15.099 2.824 -7.090 233 HD3 ARG 30 2HD ARG 30 -13.748 3.911 -7.417 234 HE ARG 30 HE ARG 30 -16.314 4.987 -8.164 235 HH11 ARG 30 1HH1 ARG 30 -13.994 4.619 -5.576 236 HH12 ARG 30 2HH1 ARG 30 -14.602 5.972 -4.674 237 HH21 ARG 30 1HH2 ARG 30 -17.119 6.757 -6.991 238 HH22 ARG 30 2HH2 ARG 30 -16.382 7.195 -5.481 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 -29.457 -9.807 3.796 2 H2 ASN 1 2H ASN 1 -27.997 -9.138 3.268 3 H3 ASN 1 3H ASN 1 -28.029 -10.708 3.896 4 HA ASN 1 HA ASN 1 -29.371 -11.468 2.069 5 HB2 ASN 1 1HB ASN 1 -29.085 -8.618 1.095 6 HB3 ASN 1 2HB ASN 1 -29.714 -9.939 0.125 7 HD21 ASN 1 1HD2 ASN 1 -31.692 -8.856 -0.123 8 HD22 ASN 1 2HD2 ASN 1 -32.841 -8.768 1.167 9 H GLY 2 H GLY 2 -26.437 -9.903 2.657 10 HA2 GLY 2 1HA GLY 2 -24.541 -11.381 1.857 11 HA3 GLY 2 2HA GLY 2 -25.227 -11.130 0.258 12 H ALA 3 H ALA 3 -24.949 -8.732 2.815 13 HA ALA 3 HA ALA 3 -23.737 -6.843 1.055 14 HB1 ALA 3 1HB ALA 3 -23.650 -5.396 3.042 15 HB2 ALA 3 2HB ALA 3 -24.168 -6.755 4.035 16 HB3 ALA 3 3HB ALA 3 -25.243 -6.106 2.798 17 H ILE 4 H ILE 4 -22.582 -9.087 3.450 18 HA ILE 4 HA ILE 4 -19.923 -7.936 3.491 19 HB ILE 4 HB ILE 4 -20.943 -10.511 4.716 20 HG12 ILE 4 1HG1 ILE 4 -22.007 -8.493 5.662 21 HG13 ILE 4 2HG1 ILE 4 -20.952 -9.282 6.835 22 HG21 ILE 4 1HG2 ILE 4 -18.339 -9.046 5.167 23 HG22 ILE 4 2HG2 ILE 4 -18.536 -10.580 4.320 24 HG23 ILE 4 3HG2 ILE 4 -18.883 -10.475 6.045 25 HD11 ILE 4 1HD1 ILE 4 -19.219 -7.609 6.372 26 HD12 ILE 4 2HD1 ILE 4 -20.717 -6.878 6.945 27 HD13 ILE 4 3HD1 ILE 4 -20.305 -6.815 5.231 28 H CYS 5 H CYS 5 -19.319 -8.098 1.328 29 HA CYS 5 HA CYS 5 -19.258 -10.576 -0.075 30 HB2 CYS 5 1HB CYS 5 -17.561 -8.135 -0.613 31 HB3 CYS 5 2HB CYS 5 -18.016 -9.396 -1.756 32 HG CYS 5 HG CYS 5 -19.376 -6.912 -2.233 33 H TRP 6 H TRP 6 -17.006 -8.756 1.890 34 HA TRP 6 HA TRP 6 -15.362 -11.157 2.153 35 HB2 TRP 6 1HB TRP 6 -14.387 -9.542 0.431 36 HB3 TRP 6 2HB TRP 6 -14.123 -8.432 1.768 37 HD1 TRP 6 HD1 TRP 6 -12.955 -11.832 0.448 38 HE1 TRP 6 HE1 TRP 6 -10.668 -12.379 1.496 39 HE3 TRP 6 HE3 TRP 6 -12.628 -7.929 3.723 40 HZ2 TRP 6 HZ2 TRP 6 -8.955 -11.280 3.457 41 HZ3 TRP 6 HZ3 TRP 6 -10.633 -7.746 5.147 42 HH2 TRP 6 HH2 TRP 6 -8.835 -9.388 5.016 43 H GLY 7 H GLY 7 -15.797 -7.790 3.263 44 HA2 GLY 7 1HA GLY 7 -16.495 -8.330 5.865 45 HA3 GLY 7 2HA GLY 7 -14.737 -8.331 5.861 46 HA PRO 8 HA PRO 8 -15.875 -3.973 6.686 47 HB2 PRO 8 1HB PRO 8 -13.162 -3.942 7.829 48 HB3 PRO 8 2HB PRO 8 -14.698 -3.491 8.575 49 HG2 PRO 8 1HG PRO 8 -13.391 -5.723 9.284 50 HG3 PRO 8 2HG PRO 8 -15.162 -5.647 9.245 51 HD2 PRO 8 1HD PRO 8 -13.271 -6.851 7.257 52 HD3 PRO 8 2HD PRO 8 -14.830 -7.464 7.846 53 H CYS 9 H CYS 9 -12.918 -5.362 5.406 54 HA CYS 9 HA CYS 9 -12.400 -2.885 3.915 55 HB2 CYS 9 1HB CYS 9 -10.586 -3.571 5.424 56 HB3 CYS 9 2HB CYS 9 -10.512 -5.139 4.631 57 HG CYS 9 HG CYS 9 -8.557 -2.836 4.016 58 HA PRO 10 HA PRO 10 -13.822 -5.223 0.337 59 HB2 PRO 10 1HB PRO 10 -12.561 -2.883 -0.994 60 HB3 PRO 10 2HB PRO 10 -14.170 -3.568 -1.222 61 HG2 PRO 10 1HG PRO 10 -13.863 -1.296 0.111 62 HG3 PRO 10 2HG PRO 10 -15.028 -2.516 0.664 63 HD2 PRO 10 1HD PRO 10 -12.302 -1.882 1.731 64 HD3 PRO 10 2HD PRO 10 -13.791 -2.280 2.609 65 H THR 11 H THR 11 -12.829 -6.541 -1.066 66 HA THR 11 HA THR 11 -10.195 -7.331 -0.608 67 HB THR 11 HB THR 11 -11.827 -7.924 -3.077 68 HG1 THR 11 HG1 THR 11 -11.881 -9.329 -0.597 69 HG21 THR 11 1HG2 THR 11 -9.525 -8.733 -3.149 70 HG22 THR 11 2HG2 THR 11 -10.655 -10.079 -2.999 71 HG23 THR 11 3HG2 THR 11 -9.747 -9.528 -1.592 72 H ALA 12 H ALA 12 -11.619 -5.329 -3.144 73 HA ALA 12 HA ALA 12 -9.189 -5.058 -4.630 74 HB1 ALA 12 1HB ALA 12 -10.386 -3.380 -5.918 75 HB2 ALA 12 2HB ALA 12 -11.674 -3.350 -4.714 76 HB3 ALA 12 3HB ALA 12 -11.399 -4.803 -5.674 77 H PHE 13 H PHE 13 -10.616 -3.434 -1.929 78 HA PHE 13 HA PHE 13 -9.329 -0.936 -2.202 79 HB2 PHE 13 1HB PHE 13 -11.328 -1.302 -0.804 80 HB3 PHE 13 2HB PHE 13 -10.365 -2.263 0.308 81 HD1 PHE 13 HD1 PHE 13 -9.515 -1.238 2.175 82 HD2 PHE 13 HD2 PHE 13 -10.400 1.115 -1.256 83 HE1 PHE 13 HE1 PHE 13 -8.955 0.797 3.429 84 HE2 PHE 13 HE2 PHE 13 -9.836 3.155 -0.008 85 HZ PHE 13 HZ PHE 13 -9.113 2.999 2.340 86 H ARG 14 H ARG 14 -8.474 -3.883 -0.425 87 HA ARG 14 HA ARG 14 -6.098 -2.732 0.680 88 HB2 ARG 14 1HB ARG 14 -5.575 -4.951 1.482 89 HB3 ARG 14 2HB ARG 14 -7.275 -4.614 1.769 90 HG2 ARG 14 1HG ARG 14 -7.905 -5.985 -0.117 91 HG3 ARG 14 2HG ARG 14 -6.210 -6.255 -0.523 92 HD2 ARG 14 1HD ARG 14 -5.896 -7.360 1.668 93 HD3 ARG 14 2HD ARG 14 -7.614 -7.147 1.999 94 HE ARG 14 HE ARG 14 -7.423 -8.478 -0.428 95 HH11 ARG 14 1HH1 ARG 14 -6.521 -9.056 2.907 96 HH12 ARG 14 2HH1 ARG 14 -6.701 -10.778 2.793 97 HH21 ARG 14 1HH2 ARG 14 -7.658 -10.740 -0.586 98 HH22 ARG 14 2HH2 ARG 14 -7.326 -11.738 0.793 99 H GLN 15 H GLN 15 -6.917 -4.102 -2.338 100 HA GLN 15 HA GLN 15 -4.211 -4.837 -3.033 101 HB2 GLN 15 1HB GLN 15 -6.142 -6.109 -3.924 102 HB3 GLN 15 2HB GLN 15 -6.674 -4.671 -4.779 103 HG2 GLN 15 1HG GLN 15 -5.514 -6.222 -6.254 104 HG3 GLN 15 2HG GLN 15 -4.660 -4.685 -6.121 105 HE21 GLN 15 1HE2 GLN 15 -2.693 -4.601 -5.045 106 HE22 GLN 15 2HE2 GLN 15 -1.786 -6.025 -4.666 107 H ILE 16 H ILE 16 -6.501 -2.240 -3.743 108 HA ILE 16 HA ILE 16 -4.755 -0.826 -5.494 109 HB ILE 16 HB ILE 16 -7.127 0.154 -3.890 110 HG12 ILE 16 1HG1 ILE 16 -7.739 -1.520 -5.561 111 HG13 ILE 16 2HG1 ILE 16 -8.298 0.070 -6.074 112 HG21 ILE 16 1HG2 ILE 16 -5.626 2.000 -4.425 113 HG22 ILE 16 2HG2 ILE 16 -7.122 2.112 -5.352 114 HG23 ILE 16 3HG2 ILE 16 -5.646 1.539 -6.126 115 HD11 ILE 16 1HD1 ILE 16 -7.398 -1.123 -7.955 116 HD12 ILE 16 2HD1 ILE 16 -5.881 -1.402 -7.100 117 HD13 ILE 16 3HD1 ILE 16 -6.342 0.236 -7.567 118 H GLY 17 H GLY 17 -5.331 -0.856 -2.035 119 HA2 GLY 17 1HA GLY 17 -3.560 1.258 -1.354 120 HA3 GLY 17 2HA GLY 17 -4.075 -0.043 -0.289 121 H ASN 18 H ASN 18 -1.769 0.965 -2.665 122 HA ASN 18 HA ASN 18 0.414 -0.505 -1.733 123 HB2 ASN 18 1HB ASN 18 -0.912 -2.456 -2.546 124 HB3 ASN 18 2HB ASN 18 -0.944 -1.741 -4.148 125 HD21 ASN 18 1HD2 ASN 18 1.847 -1.659 -2.020 126 HD22 ASN 18 2HD2 ASN 18 2.835 -2.699 -2.979 127 H CYS 19 H CYS 19 -1.317 1.119 -4.236 128 HA CYS 19 HA CYS 19 0.758 1.675 -6.039 129 HB2 CYS 19 1HB CYS 19 -1.590 3.475 -5.431 130 HB3 CYS 19 2HB CYS 19 -0.707 3.335 -6.948 131 HG CYS 19 HG CYS 19 -2.959 1.142 -5.617 132 H GLY 20 H GLY 20 2.629 2.569 -5.393 133 HA2 GLY 20 1HA GLY 20 3.820 4.589 -4.944 134 HA3 GLY 20 2HA GLY 20 2.478 5.117 -3.939 135 H ARG 21 H ARG 21 3.120 1.892 -3.335 136 HA ARG 21 HA ARG 21 4.368 2.562 -0.805 137 HB2 ARG 21 1HB ARG 21 2.580 0.934 -0.762 138 HB3 ARG 21 2HB ARG 21 3.407 -0.067 -1.948 139 HG2 ARG 21 1HG ARG 21 5.192 -0.507 -0.345 140 HG3 ARG 21 2HG ARG 21 4.374 0.507 0.847 141 HD2 ARG 21 1HD ARG 21 3.247 -2.002 -0.398 142 HD3 ARG 21 2HD ARG 21 3.945 -1.886 1.217 143 HE ARG 21 HE ARG 21 2.055 -0.057 1.408 144 HH11 ARG 21 1HH1 ARG 21 1.886 -3.266 -0.004 145 HH12 ARG 21 2HH1 ARG 21 0.195 -3.458 0.338 146 HH21 ARG 21 1HH2 ARG 21 -0.156 -0.323 1.863 147 HH22 ARG 21 2HH2 ARG 21 -0.965 -1.783 1.388 148 H PHE 22 H PHE 22 5.186 0.926 -3.795 149 HA PHE 22 HA PHE 22 7.884 0.392 -2.766 150 HB2 PHE 22 1HB PHE 22 8.058 -1.147 -4.757 151 HB3 PHE 22 2HB PHE 22 6.872 -1.625 -3.551 152 HD1 PHE 22 HD1 PHE 22 4.485 -1.439 -4.015 153 HD2 PHE 22 HD2 PHE 22 7.404 -0.490 -6.961 154 HE1 PHE 22 HE1 PHE 22 2.755 -1.550 -5.756 155 HE2 PHE 22 HE2 PHE 22 5.678 -0.596 -8.708 156 HZ PHE 22 HZ PHE 22 3.348 -1.125 -8.110 157 H ARG 23 H ARG 23 9.649 0.618 -4.424 158 HA ARG 23 HA ARG 23 9.245 3.162 -5.816 159 HB2 ARG 23 1HB ARG 23 11.046 3.125 -4.165 160 HB3 ARG 23 2HB ARG 23 11.784 1.751 -4.972 161 HG2 ARG 23 1HG ARG 23 12.335 3.081 -6.881 162 HG3 ARG 23 2HG ARG 23 11.428 4.454 -6.244 163 HD2 ARG 23 1HD ARG 23 13.855 4.702 -5.915 164 HD3 ARG 23 2HD ARG 23 12.969 4.659 -4.393 165 HE ARG 23 HE ARG 23 14.026 2.111 -5.267 166 HH11 ARG 23 1HH1 ARG 23 14.546 4.995 -3.357 167 HH12 ARG 23 2HH1 ARG 23 15.758 4.271 -2.353 168 HH21 ARG 23 1HH2 ARG 23 15.625 1.148 -3.949 169 HH22 ARG 23 2HH2 ARG 23 16.372 2.079 -2.690 170 H VAL 24 H VAL 24 8.458 2.701 -7.784 171 HA VAL 24 HA VAL 24 9.260 0.459 -9.334 172 HB VAL 24 HB VAL 24 7.062 1.571 -9.591 173 HG11 VAL 24 1HG1 VAL 24 6.896 3.624 -10.942 174 HG12 VAL 24 2HG1 VAL 24 8.653 3.769 -10.899 175 HG13 VAL 24 3HG1 VAL 24 7.722 3.888 -9.409 176 HG21 VAL 24 1HG2 VAL 24 8.702 1.492 -12.118 177 HG22 VAL 24 2HG2 VAL 24 6.942 1.421 -12.021 178 HG23 VAL 24 3HG2 VAL 24 7.917 0.113 -11.351 179 H ARG 25 H ARG 25 10.621 3.535 -8.802 180 HA ARG 25 HA ARG 25 11.906 4.018 -11.238 181 HB2 ARG 25 1HB ARG 25 11.691 5.670 -9.402 182 HB3 ARG 25 2HB ARG 25 12.860 4.750 -8.465 183 HG2 ARG 25 1HG ARG 25 14.606 5.252 -9.998 184 HG3 ARG 25 2HG ARG 25 13.466 5.946 -11.157 185 HD2 ARG 25 1HD ARG 25 14.088 7.029 -8.408 186 HD3 ARG 25 2HD ARG 25 14.660 7.697 -9.938 187 HE ARG 25 HE ARG 25 12.099 7.876 -10.384 188 HH11 ARG 25 1HH1 ARG 25 13.751 8.483 -7.354 189 HH12 ARG 25 2HH1 ARG 25 12.560 9.606 -6.785 190 HH21 ARG 25 1HH2 ARG 25 10.536 9.359 -9.637 191 HH22 ARG 25 2HH2 ARG 25 10.736 10.104 -8.084 192 H CYS 26 H CYS 26 13.057 2.243 -8.362 193 HA CYS 26 HA CYS 26 15.513 1.534 -9.704 194 HB2 CYS 26 1HB CYS 26 15.962 0.183 -7.660 195 HB3 CYS 26 2HB CYS 26 15.613 1.872 -7.311 196 HG CYS 26 HG CYS 26 13.906 -0.893 -6.459 197 H CYS 27 H CYS 27 12.352 0.337 -9.568 198 HA CYS 27 HA CYS 27 12.945 -2.424 -10.059 199 HB2 CYS 27 1HB CYS 27 10.785 -1.545 -9.073 200 HB3 CYS 27 2HB CYS 27 10.375 -0.948 -10.677 201 HG CYS 27 HG CYS 27 10.949 -4.245 -9.975 202 H ARG 28 H ARG 28 12.594 0.452 -11.958 203 HA ARG 28 HA ARG 28 12.492 -0.935 -14.482 204 HB2 ARG 28 1HB ARG 28 11.425 1.269 -14.212 205 HB3 ARG 28 2HB ARG 28 12.986 1.985 -13.847 206 HG2 ARG 28 1HG ARG 28 13.764 1.475 -16.093 207 HG3 ARG 28 2HG ARG 28 12.218 0.711 -16.466 208 HD2 ARG 28 1HD ARG 28 12.604 3.606 -15.705 209 HD3 ARG 28 2HD ARG 28 12.356 3.005 -17.345 210 HE ARG 28 HE ARG 28 10.225 2.050 -15.910 211 HH11 ARG 28 1HH1 ARG 28 11.554 5.226 -16.541 212 HH12 ARG 28 2HH1 ARG 28 10.016 6.020 -16.458 213 HH21 ARG 28 1HH2 ARG 28 8.205 3.091 -15.800 214 HH22 ARG 28 2HH2 ARG 28 8.110 4.809 -16.031 215 H ILE 29 H ILE 29 14.875 0.157 -12.291 216 HA ILE 29 HA ILE 29 17.038 0.387 -14.142 217 HB ILE 29 HB ILE 29 17.030 0.065 -11.135 218 HG12 ILE 29 1HG1 ILE 29 16.039 2.167 -11.918 219 HG13 ILE 29 2HG1 ILE 29 17.582 2.468 -11.124 220 HG21 ILE 29 1HG2 ILE 29 19.129 -0.771 -12.059 221 HG22 ILE 29 2HG2 ILE 29 19.379 0.741 -11.183 222 HG23 ILE 29 3HG2 ILE 29 19.347 0.739 -12.947 223 HD11 ILE 29 1HD1 ILE 29 18.650 2.649 -13.331 224 HD12 ILE 29 2HD1 ILE 29 17.371 3.839 -13.092 225 HD13 ILE 29 3HD1 ILE 29 17.074 2.417 -14.090 226 H ARG 30 H ARG 30 18.107 -1.192 -15.077 227 HA ARG 30 HA ARG 30 17.843 -3.912 -14.029 228 HB2 ARG 30 1HB ARG 30 18.735 -4.586 -16.285 229 HB3 ARG 30 2HB ARG 30 17.168 -3.789 -16.314 230 HG2 ARG 30 1HG ARG 30 18.172 -1.735 -17.048 231 HG3 ARG 30 2HG ARG 30 19.788 -2.417 -16.864 232 HD2 ARG 30 1HD ARG 30 19.193 -2.448 -19.187 233 HD3 ARG 30 2HD ARG 30 19.221 -4.105 -18.586 234 HE ARG 30 HE ARG 30 16.651 -3.601 -18.338 235 HH11 ARG 30 1HH1 ARG 30 18.812 -2.727 -20.942 236 HH12 ARG 30 2HH1 ARG 30 17.567 -2.733 -22.149 237 HH21 ARG 30 1HH2 ARG 30 15.001 -3.613 -19.940 238 HH22 ARG 30 2HH2 ARG 30 15.410 -3.220 -21.581 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 -14.860 -17.033 2.490 2 H2 ASN 1 2H ASN 1 -14.337 -15.612 3.239 3 H3 ASN 1 3H ASN 1 -15.687 -15.586 2.221 4 HA ASN 1 HA ASN 1 -15.485 -16.998 4.810 5 HB2 ASN 1 1HB ASN 1 -17.017 -14.521 3.976 6 HB3 ASN 1 2HB ASN 1 -17.248 -15.356 5.506 7 HD21 ASN 1 1HD2 ASN 1 -15.660 -15.221 7.089 8 HD22 ASN 1 2HD2 ASN 1 -14.391 -14.052 7.020 9 H GLY 2 H GLY 2 -18.230 -16.947 5.341 10 HA2 GLY 2 1HA GLY 2 -19.048 -19.185 3.773 11 HA3 GLY 2 2HA GLY 2 -19.998 -18.387 5.017 12 H ALA 3 H ALA 3 -20.729 -16.081 4.272 13 HA ALA 3 HA ALA 3 -22.343 -16.607 1.922 14 HB1 ALA 3 1HB ALA 3 -22.425 -14.297 3.860 15 HB2 ALA 3 2HB ALA 3 -23.399 -15.763 3.961 16 HB3 ALA 3 3HB ALA 3 -23.621 -14.648 2.613 17 H ILE 4 H ILE 4 -20.005 -14.165 3.011 18 HA ILE 4 HA ILE 4 -19.971 -13.114 0.255 19 HB ILE 4 HB ILE 4 -19.239 -10.946 1.207 20 HG12 ILE 4 1HG1 ILE 4 -19.870 -12.253 3.867 21 HG13 ILE 4 2HG1 ILE 4 -18.263 -11.795 3.302 22 HG21 ILE 4 1HG2 ILE 4 -21.433 -10.292 2.117 23 HG22 ILE 4 2HG2 ILE 4 -21.863 -11.995 2.266 24 HG23 ILE 4 3HG2 ILE 4 -21.581 -11.295 0.673 25 HD11 ILE 4 1HD1 ILE 4 -18.916 -9.451 3.325 26 HD12 ILE 4 2HD1 ILE 4 -19.152 -10.194 4.906 27 HD13 ILE 4 3HD1 ILE 4 -20.538 -9.901 3.855 28 H CYS 5 H CYS 5 -17.974 -12.359 -0.562 29 HA CYS 5 HA CYS 5 -15.636 -13.661 0.651 30 HB2 CYS 5 1HB CYS 5 -14.632 -13.294 -1.661 31 HB3 CYS 5 2HB CYS 5 -15.953 -14.450 -1.566 32 HG CYS 5 HG CYS 5 -15.761 -12.391 -3.814 33 H TRP 6 H TRP 6 -17.116 -10.693 0.207 34 HA TRP 6 HA TRP 6 -14.822 -9.306 1.292 35 HB2 TRP 6 1HB TRP 6 -14.859 -7.511 -0.376 36 HB3 TRP 6 2HB TRP 6 -14.506 -9.047 -1.152 37 HD1 TRP 6 HD1 TRP 6 -16.341 -10.026 -2.831 38 HE1 TRP 6 HE1 TRP 6 -18.351 -8.943 -4.025 39 HE3 TRP 6 HE3 TRP 6 -16.656 -5.718 -0.112 40 HZ2 TRP 6 HZ2 TRP 6 -19.862 -6.561 -3.828 41 HZ3 TRP 6 HZ3 TRP 6 -18.406 -4.089 -0.680 42 HH2 TRP 6 HH2 TRP 6 -19.973 -4.501 -2.501 43 H GLY 7 H GLY 7 -15.482 -7.071 2.011 44 HA2 GLY 7 1HA GLY 7 -18.052 -6.074 2.029 45 HA3 GLY 7 2HA GLY 7 -17.999 -7.228 3.354 46 HA PRO 8 HA PRO 8 -16.474 -3.734 5.782 47 HB2 PRO 8 1HB PRO 8 -15.914 -5.975 7.655 48 HB3 PRO 8 2HB PRO 8 -16.769 -4.455 7.946 49 HG2 PRO 8 1HG PRO 8 -18.108 -6.744 7.742 50 HG3 PRO 8 2HG PRO 8 -18.755 -5.247 7.044 51 HD2 PRO 8 1HD PRO 8 -17.416 -7.551 5.679 52 HD3 PRO 8 2HD PRO 8 -18.801 -6.573 5.149 53 H CYS 9 H CYS 9 -14.965 -6.791 5.099 54 HA CYS 9 HA CYS 9 -12.283 -5.689 5.404 55 HB2 CYS 9 1HB CYS 9 -13.140 -8.444 4.481 56 HB3 CYS 9 2HB CYS 9 -11.518 -7.948 4.953 57 HG CYS 9 HG CYS 9 -12.034 -7.705 7.627 58 HA PRO 10 HA PRO 10 -12.951 -4.496 1.070 59 HB2 PRO 10 1HB PRO 10 -10.471 -2.984 1.455 60 HB3 PRO 10 2HB PRO 10 -12.082 -2.395 1.042 61 HG2 PRO 10 1HG PRO 10 -10.975 -1.934 3.444 62 HG3 PRO 10 2HG PRO 10 -12.718 -2.184 3.241 63 HD2 PRO 10 1HD PRO 10 -10.628 -4.114 4.190 64 HD3 PRO 10 2HD PRO 10 -12.265 -3.825 4.816 65 H THR 11 H THR 11 -12.324 -5.809 -0.525 66 HA THR 11 HA THR 11 -9.685 -7.062 -0.354 67 HB THR 11 HB THR 11 -10.577 -8.564 -2.167 68 HG1 THR 11 HG1 THR 11 -12.569 -8.291 -2.897 69 HG21 THR 11 1HG2 THR 11 -10.600 -9.279 0.159 70 HG22 THR 11 2HG2 THR 11 -12.061 -9.835 -0.660 71 HG23 THR 11 3HG2 THR 11 -12.130 -8.442 0.419 72 H ALA 12 H ALA 12 -11.734 -5.189 -2.529 73 HA ALA 12 HA ALA 12 -9.807 -5.057 -4.636 74 HB1 ALA 12 1HB ALA 12 -11.301 -3.404 -5.629 75 HB2 ALA 12 2HB ALA 12 -12.213 -3.305 -4.124 76 HB3 ALA 12 3HB ALA 12 -12.212 -4.802 -5.056 77 H PHE 13 H PHE 13 -10.826 -2.888 -2.035 78 HA PHE 13 HA PHE 13 -9.119 -0.746 -2.739 79 HB2 PHE 13 1HB PHE 13 -11.108 -0.527 -1.269 80 HB3 PHE 13 2HB PHE 13 -10.252 -1.416 -0.018 81 HD1 PHE 13 HD1 PHE 13 -9.924 1.607 -2.154 82 HD2 PHE 13 HD2 PHE 13 -9.043 -0.261 1.565 83 HE1 PHE 13 HE1 PHE 13 -8.969 3.713 -1.326 84 HE2 PHE 13 HE2 PHE 13 -8.086 1.842 2.400 85 HZ PHE 13 HZ PHE 13 -8.049 3.837 0.954 86 H ARG 14 H ARG 14 -8.688 -3.622 -0.800 87 HA ARG 14 HA ARG 14 -6.219 -2.875 0.382 88 HB2 ARG 14 1HB ARG 14 -7.569 -4.673 1.324 89 HB3 ARG 14 2HB ARG 14 -7.402 -5.609 -0.153 90 HG2 ARG 14 1HG ARG 14 -5.031 -5.860 0.230 91 HG3 ARG 14 2HG ARG 14 -5.132 -4.843 1.669 92 HD2 ARG 14 1HD ARG 14 -5.069 -7.217 2.259 93 HD3 ARG 14 2HD ARG 14 -6.596 -6.481 2.735 94 HE ARG 14 HE ARG 14 -6.748 -7.701 0.154 95 HH11 ARG 14 1HH1 ARG 14 -6.800 -8.356 3.588 96 HH12 ARG 14 2HH1 ARG 14 -7.738 -9.806 3.431 97 HH21 ARG 14 1HH2 ARG 14 -7.995 -9.633 -0.056 98 HH22 ARG 14 2HH2 ARG 14 -8.410 -10.532 1.369 99 H GLN 15 H GLN 15 -7.137 -4.312 -2.656 100 HA GLN 15 HA GLN 15 -4.489 -5.033 -3.452 101 HB2 GLN 15 1HB GLN 15 -6.524 -6.117 -4.362 102 HB3 GLN 15 2HB GLN 15 -6.969 -4.603 -5.127 103 HG2 GLN 15 1HG GLN 15 -5.973 -6.164 -6.703 104 HG3 GLN 15 2HG GLN 15 -5.015 -4.694 -6.536 105 HE21 GLN 15 1HE2 GLN 15 -3.179 -5.720 -7.308 106 HE22 GLN 15 2HE2 GLN 15 -2.285 -6.851 -6.354 107 H ILE 16 H ILE 16 -6.492 -2.201 -3.642 108 HA ILE 16 HA ILE 16 -4.903 -0.770 -5.531 109 HB ILE 16 HB ILE 16 -6.865 0.239 -3.458 110 HG12 ILE 16 1HG1 ILE 16 -7.890 -1.208 -5.170 111 HG13 ILE 16 2HG1 ILE 16 -8.423 0.463 -5.342 112 HG21 ILE 16 1HG2 ILE 16 -5.309 2.000 -4.060 113 HG22 ILE 16 2HG2 ILE 16 -6.901 2.331 -4.743 114 HG23 ILE 16 3HG2 ILE 16 -5.611 1.709 -5.773 115 HD11 ILE 16 1HD1 ILE 16 -6.832 0.762 -7.184 116 HD12 ILE 16 2HD1 ILE 16 -7.989 -0.529 -7.504 117 HD13 ILE 16 3HD1 ILE 16 -6.341 -0.923 -7.020 118 H GLY 17 H GLY 17 -5.111 -0.815 -1.988 119 HA2 GLY 17 1HA GLY 17 -2.975 1.087 -1.665 120 HA3 GLY 17 2HA GLY 17 -3.742 0.150 -0.391 121 H ASN 18 H ASN 18 -3.212 -2.220 -0.445 122 HA ASN 18 HA ASN 18 -1.763 -3.938 -0.276 123 HB2 ASN 18 1HB ASN 18 -1.481 -3.725 -2.695 124 HB3 ASN 18 2HB ASN 18 -0.244 -2.502 -2.456 125 HD21 ASN 18 1HD2 ASN 18 -0.556 -5.392 -0.482 126 HD22 ASN 18 2HD2 ASN 18 0.903 -6.137 -1.027 127 H CYS 19 H CYS 19 0.537 -1.325 -1.009 128 HA CYS 19 HA CYS 19 1.975 -2.021 1.444 129 HB2 CYS 19 1HB CYS 19 2.838 -0.303 -0.891 130 HB3 CYS 19 2HB CYS 19 3.848 -0.779 0.468 131 HG CYS 19 HG CYS 19 3.719 -3.526 -0.162 132 H GLY 20 H GLY 20 -0.515 -0.451 1.340 133 HA2 GLY 20 1HA GLY 20 0.504 1.954 2.695 134 HA3 GLY 20 2HA GLY 20 -0.812 2.070 1.536 135 H ARG 21 H ARG 21 0.100 1.284 4.750 136 HA ARG 21 HA ARG 21 -2.502 0.231 5.488 137 HB2 ARG 21 1HB ARG 21 -0.149 1.040 7.211 138 HB3 ARG 21 2HB ARG 21 -1.571 0.167 7.766 139 HG2 ARG 21 1HG ARG 21 -0.996 -1.720 6.361 140 HG3 ARG 21 2HG ARG 21 0.394 -0.842 5.720 141 HD2 ARG 21 1HD ARG 21 1.158 -2.368 7.412 142 HD3 ARG 21 2HD ARG 21 1.315 -0.721 8.019 143 HE ARG 21 HE ARG 21 -1.149 -1.602 8.886 144 HH11 ARG 21 1HH1 ARG 21 2.186 -2.604 9.285 145 HH12 ARG 21 2HH1 ARG 21 1.918 -3.311 10.846 146 HH21 ARG 21 1HH2 ARG 21 -1.503 -2.529 10.933 147 HH22 ARG 21 2HH2 ARG 21 -0.184 -3.270 11.786 148 H PHE 22 H PHE 22 -1.620 3.094 4.573 149 HA PHE 22 HA PHE 22 -3.367 4.545 6.418 150 HB2 PHE 22 1HB PHE 22 -1.814 6.512 6.141 151 HB3 PHE 22 2HB PHE 22 -1.132 5.176 7.058 152 HD1 PHE 22 HD1 PHE 22 0.655 3.818 6.136 153 HD2 PHE 22 HD2 PHE 22 -0.971 7.099 3.968 154 HE1 PHE 22 HE1 PHE 22 2.582 3.767 4.613 155 HE2 PHE 22 HE2 PHE 22 0.952 7.048 2.442 156 HZ PHE 22 HZ PHE 22 2.735 5.379 2.763 157 H ARG 23 H ARG 23 -3.692 6.872 5.268 158 HA ARG 23 HA ARG 23 -4.877 6.271 2.716 159 HB2 ARG 23 1HB ARG 23 -5.826 7.848 4.508 160 HB3 ARG 23 2HB ARG 23 -4.617 9.003 3.967 161 HG2 ARG 23 1HG ARG 23 -6.721 9.490 2.915 162 HG3 ARG 23 2HG ARG 23 -5.584 8.907 1.698 163 HD2 ARG 23 1HD ARG 23 -6.599 6.710 1.750 164 HD3 ARG 23 2HD ARG 23 -7.665 7.201 3.064 165 HE ARG 23 HE ARG 23 -7.909 8.783 0.660 166 HH11 ARG 23 1HH1 ARG 23 -8.997 5.928 2.369 167 HH12 ARG 23 2HH1 ARG 23 -10.532 5.872 1.559 168 HH21 ARG 23 1HH2 ARG 23 -9.923 8.708 -0.416 169 HH22 ARG 23 2HH2 ARG 23 -11.059 7.458 -0.021 170 H VAL 24 H VAL 24 -3.791 6.317 0.893 171 HA VAL 24 HA VAL 24 -1.085 7.033 0.723 172 HB VAL 24 HB VAL 24 -3.039 6.657 -1.555 173 HG11 VAL 24 1HG1 VAL 24 -0.028 6.482 -1.513 174 HG12 VAL 24 2HG1 VAL 24 -0.987 7.749 -2.279 175 HG13 VAL 24 3HG1 VAL 24 -1.063 6.095 -2.887 176 HG21 VAL 24 1HG2 VAL 24 -3.018 4.715 -0.098 177 HG22 VAL 24 2HG2 VAL 24 -1.256 4.665 -0.155 178 HG23 VAL 24 3HG2 VAL 24 -2.195 4.344 -1.613 179 H ARG 25 H ARG 25 -4.009 8.799 0.003 180 HA ARG 25 HA ARG 25 -3.001 10.905 -1.502 181 HB2 ARG 25 1HB ARG 25 -5.408 10.473 -1.070 182 HB3 ARG 25 2HB ARG 25 -5.188 11.027 0.584 183 HG2 ARG 25 1HG ARG 25 -4.500 13.236 -0.295 184 HG3 ARG 25 2HG ARG 25 -4.881 12.664 -1.923 185 HD2 ARG 25 1HD ARG 25 -7.200 12.231 -1.191 186 HD3 ARG 25 2HD ARG 25 -6.796 12.879 0.396 187 HE ARG 25 HE ARG 25 -6.500 14.554 -2.001 188 HH11 ARG 25 1HH1 ARG 25 -7.971 13.935 1.116 189 HH12 ARG 25 2HH1 ARG 25 -8.737 15.488 1.203 190 HH21 ARG 25 1HH2 ARG 25 -7.510 16.596 -1.889 191 HH22 ARG 25 2HH2 ARG 25 -8.471 17.003 -0.503 192 H CYS 26 H CYS 26 -3.068 10.447 1.993 193 HA CYS 26 HA CYS 26 -2.222 13.030 2.734 194 HB2 CYS 26 1HB CYS 26 -3.259 11.435 4.307 195 HB3 CYS 26 2HB CYS 26 -1.836 10.408 4.199 196 HG CYS 26 HG CYS 26 -1.386 13.606 5.211 197 H CYS 27 H CYS 27 -0.499 10.237 1.611 198 HA CYS 27 HA CYS 27 2.074 11.321 2.450 199 HB2 CYS 27 1HB CYS 27 1.632 8.926 2.777 200 HB3 CYS 27 2HB CYS 27 1.386 8.732 1.045 201 HG CYS 27 HG CYS 27 4.291 9.225 2.739 202 H ARG 28 H ARG 28 0.075 11.123 -0.348 203 HA ARG 28 HA ARG 28 2.313 11.610 -2.147 204 HB2 ARG 28 1HB ARG 28 0.644 9.947 -2.822 205 HB3 ARG 28 2HB ARG 28 -0.621 11.163 -2.724 206 HG2 ARG 28 1HG ARG 28 0.020 10.757 -5.024 207 HG3 ARG 28 2HG ARG 28 0.420 12.408 -4.544 208 HD2 ARG 28 1HD ARG 28 2.747 11.731 -4.181 209 HD3 ARG 28 2HD ARG 28 2.346 10.087 -4.672 210 HE ARG 28 HE ARG 28 1.744 12.159 -6.608 211 HH11 ARG 28 1HH1 ARG 28 4.064 9.796 -5.477 212 HH12 ARG 28 2HH1 ARG 28 4.895 9.694 -6.995 213 HH21 ARG 28 1HH2 ARG 28 2.831 12.025 -8.615 214 HH22 ARG 28 2HH2 ARG 28 4.192 10.965 -8.781 215 H ILE 29 H ILE 29 -0.814 13.111 -1.340 216 HA ILE 29 HA ILE 29 -0.198 15.408 -2.975 217 HB ILE 29 HB ILE 29 -2.542 14.974 -1.111 218 HG12 ILE 29 1HG1 ILE 29 -2.473 13.277 -2.880 219 HG13 ILE 29 2HG1 ILE 29 -3.799 14.402 -3.157 220 HG21 ILE 29 1HG2 ILE 29 -3.623 16.768 -2.373 221 HG22 ILE 29 2HG2 ILE 29 -2.170 16.973 -3.347 222 HG23 ILE 29 3HG2 ILE 29 -2.132 17.339 -1.623 223 HD11 ILE 29 1HD1 ILE 29 -2.443 15.566 -4.833 224 HD12 ILE 29 2HD1 ILE 29 -2.675 13.864 -5.231 225 HD13 ILE 29 3HD1 ILE 29 -1.137 14.413 -4.565 226 H ARG 30 H ARG 30 1.714 16.050 -1.885 227 HA ARG 30 HA ARG 30 1.096 17.780 0.409 228 HB2 ARG 30 1HB ARG 30 3.631 16.181 0.001 229 HB3 ARG 30 2HB ARG 30 3.395 17.386 1.259 230 HG2 ARG 30 1HG ARG 30 1.568 16.029 2.183 231 HG3 ARG 30 2HG ARG 30 1.873 14.811 0.943 232 HD2 ARG 30 1HD ARG 30 4.130 14.488 1.792 233 HD3 ARG 30 2HD ARG 30 3.868 15.741 3.003 234 HE ARG 30 HE ARG 30 1.884 13.763 3.285 235 HH11 ARG 30 1HH1 ARG 30 5.320 14.227 3.743 236 HH12 ARG 30 2HH1 ARG 30 5.437 13.080 5.038 237 HH21 ARG 30 1HH2 ARG 30 2.023 12.253 4.992 238 HH22 ARG 30 2HH2 ARG 30 3.556 11.933 5.742
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