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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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619958 |
5lm0 ![]() ![]() |
34027 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.468 -0.419 -2.018 3 HB1 ALA 1 HB1 ALA 1 2.167 1.590 -2.669 4 HB2 ALA 1 HB2 ALA 1 1.930 2.118 -1.002 5 HB3 ALA 1 HB3 ALA 1 3.518 1.566 -1.535 6 H ASP 2 H ASP 2 2.994 -1.710 -2.879 7 HA ASP 2 HA ASP 2 4.809 -3.064 -1.166 8 HB2 ASP 2 HB2 ASP 2 4.406 -3.076 -4.155 9 HB3 ASP 2 HB3 ASP 2 5.645 -4.051 -3.369 10 H ASP 3 H ASP 3 5.139 -0.463 -3.506 11 HA ASP 3 HA ASP 3 7.995 -0.438 -3.485 12 HB2 ASP 3 HB2 ASP 3 6.552 0.482 -5.331 13 HB3 ASP 3 HB3 ASP 3 6.144 1.822 -4.263 14 H ARG 4 H ARG 4 5.476 1.231 -1.689 15 HA ARG 4 HA ARG 4 7.037 3.207 -0.474 16 HB2 ARG 4 HB2 ARG 4 4.530 3.059 -0.444 17 HB3 ARG 4 HB3 ARG 4 4.675 1.793 0.768 18 HG2 ARG 4 HG2 ARG 4 5.713 3.328 2.311 19 HG3 ARG 4 HG3 ARG 4 5.718 4.599 1.087 20 HD2 ARG 4 HD2 ARG 4 3.379 4.807 1.139 21 HD3 ARG 4 HD3 ARG 4 3.178 3.269 1.979 22 HE ARG 4 HE ARG 4 3.526 4.350 3.966 23 HH11 ARG 4 HH11 ARG 4 4.569 6.400 1.353 24 HH12 ARG 4 HH12 ARG 4 4.833 7.780 2.368 25 HH21 ARG 4 HH21 ARG 4 3.869 6.160 5.312 26 HH22 ARG 4 HH22 ARG 4 4.435 7.642 4.620 27 H CYS 5 H CYS 5 6.027 0.063 0.882 28 HA CYS 5 HA CYS 5 7.675 0.241 3.167 29 HB2 CYS 5 HB2 CYS 5 7.239 -2.207 3.383 30 HB3 CYS 5 HB3 CYS 5 5.778 -1.250 3.163 31 H TYR 6 H TYR 6 8.185 -1.080 -0.048 32 HA TYR 6 HA TYR 6 10.585 -2.461 0.492 33 HB2 TYR 6 HB2 TYR 6 9.423 -2.985 -1.522 34 HB3 TYR 6 HB3 TYR 6 9.436 -1.305 -2.048 35 HD1 TYR 6 HD1 TYR 6 12.030 -3.758 -0.915 36 HD2 TYR 6 HD2 TYR 6 10.802 -0.943 -3.860 37 HE1 TYR 6 HE1 TYR 6 14.105 -4.172 -2.168 38 HE2 TYR 6 HE2 TYR 6 12.874 -1.351 -5.122 39 HH TYR 6 HH TYR 6 14.721 -2.584 -5.280 40 H ARG 7 H ARG 7 9.889 0.874 -0.364 41 HA ARG 7 HA ARG 7 12.423 1.763 -1.056 42 HB2 ARG 7 HB2 ARG 7 9.947 2.995 -0.050 43 HB3 ARG 7 HB3 ARG 7 11.409 3.912 0.290 44 HG2 ARG 7 HG2 ARG 7 11.919 4.144 -1.996 45 HG3 ARG 7 HG3 ARG 7 10.745 2.911 -2.460 46 HD2 ARG 7 HD2 ARG 7 9.516 4.759 -2.952 47 HD3 ARG 7 HD3 ARG 7 9.085 4.598 -1.250 48 HE ARG 7 HE ARG 7 10.207 6.545 -0.819 49 HH11 ARG 7 HH11 ARG 7 11.146 5.358 -3.954 50 HH12 ARG 7 HH12 ARG 7 12.046 6.779 -4.367 51 HH21 ARG 7 HH21 ARG 7 11.389 8.421 -1.351 52 HH22 ARG 7 HH22 ARG 7 12.185 8.521 -2.885 53 H MET 8 H MET 8 11.033 1.174 2.115 54 HA MET 8 HA MET 8 13.068 2.429 3.630 55 HB2 MET 8 HB2 MET 8 10.775 1.773 4.454 56 HB3 MET 8 HB3 MET 8 11.343 0.110 4.506 57 HG2 MET 8 HG2 MET 8 13.201 0.969 6.021 58 HG3 MET 8 HG3 MET 8 12.244 2.442 6.157 59 HE1 MET 8 HE1 MET 8 8.884 1.018 7.607 60 HE2 MET 8 HE2 MET 8 9.818 2.513 7.604 61 HE3 MET 8 HE3 MET 8 9.449 1.701 6.082 62 H CYS 9 H CYS 9 12.727 -0.760 2.228 63 HA CYS 9 HA CYS 9 14.791 -2.046 3.660 64 HB2 CYS 9 HB2 CYS 9 13.934 -2.669 0.831 65 HB3 CYS 9 HB3 CYS 9 14.666 -3.768 1.994 66 H GLN 10 H GLN 10 14.777 -0.057 0.767 67 HA GLN 10 HA GLN 10 17.309 -0.600 -0.232 68 HB2 GLN 10 HB2 GLN 10 15.425 1.679 -0.382 69 HB3 GLN 10 HB3 GLN 10 17.099 2.031 -0.790 70 HG2 GLN 10 HG2 GLN 10 16.321 1.464 -2.843 71 HG3 GLN 10 HG3 GLN 10 16.829 -0.126 -2.277 72 HE21 GLN 10 HE21 GLN 10 14.355 1.607 -3.637 73 HE22 GLN 10 HE22 GLN 10 13.052 0.513 -3.335 74 H ARG 11 H ARG 11 16.371 1.150 2.600 75 HA ARG 11 HA ARG 11 18.683 2.714 2.972 76 HB2 ARG 11 HB2 ARG 11 16.704 3.196 4.246 77 HB3 ARG 11 HB3 ARG 11 16.700 1.583 4.947 78 HG2 ARG 11 HG2 ARG 11 18.522 2.051 6.330 79 HG3 ARG 11 HG3 ARG 11 18.980 3.475 5.393 80 HD2 ARG 11 HD2 ARG 11 16.665 4.387 6.096 81 HD3 ARG 11 HD3 ARG 11 16.722 3.131 7.332 82 HE ARG 11 HE ARG 11 19.121 4.551 7.438 83 HH11 ARG 11 HH11 ARG 11 15.726 5.073 8.005 84 HH12 ARG 11 HH12 ARG 11 15.981 6.296 9.205 85 HH21 ARG 11 HH21 ARG 11 19.470 6.159 9.017 86 HH22 ARG 11 HH22 ARG 11 18.111 6.914 9.780 87 H TYR 12 H TYR 12 18.055 -0.653 3.441 88 HA TYR 12 HA TYR 12 20.334 -1.078 5.169 89 HB2 TYR 12 HB2 TYR 12 18.716 -3.188 3.742 90 HB3 TYR 12 HB3 TYR 12 19.697 -3.379 5.190 91 HD1 TYR 12 HD1 TYR 12 16.606 -3.886 4.518 92 HD2 TYR 12 HD2 TYR 12 18.775 -0.940 6.691 93 HE1 TYR 12 HE1 TYR 12 14.624 -3.463 5.910 94 HE2 TYR 12 HE2 TYR 12 16.798 -0.510 8.090 95 HH TYR 12 HH TYR 12 14.740 -1.716 8.790 96 H HIS 13 H HIS 13 22.347 -1.474 4.531 97 HA HIS 13 HA HIS 13 23.014 -1.490 1.747 98 HB2 HIS 13 HB2 HIS 13 24.695 -1.848 4.233 99 HB3 HIS 13 HB3 HIS 13 25.361 -1.792 2.604 100 HD1 HIS 13 HD1 HIS 13 22.993 0.432 4.604 101 HD2 HIS 13 HD2 HIS 13 26.275 0.682 2.069 102 HE1 HIS 13 HE1 HIS 13 23.504 2.886 4.408 103 H ASP 14 H ASP 14 22.572 -3.895 4.213 104 HA ASP 14 HA ASP 14 23.945 -6.004 2.856 105 HB2 ASP 14 HB2 ASP 14 22.610 -5.640 5.369 106 HB3 ASP 14 HB3 ASP 14 21.995 -7.098 4.595 107 H ARG 15 H ARG 15 23.270 -6.679 0.925 108 HA ARG 15 HA ARG 15 20.777 -6.367 -0.209 109 HB2 ARG 15 HB2 ARG 15 22.978 -7.145 -1.284 110 HB3 ARG 15 HB3 ARG 15 22.503 -8.764 -0.787 111 HG2 ARG 15 HG2 ARG 15 20.651 -8.784 -2.212 112 HG3 ARG 15 HG3 ARG 15 20.689 -7.033 -2.427 113 HD2 ARG 15 HD2 ARG 15 22.963 -8.776 -3.319 114 HD3 ARG 15 HD3 ARG 15 21.551 -8.511 -4.342 115 HE ARG 15 HE ARG 15 22.336 -6.003 -3.647 116 HH11 ARG 15 HH11 ARG 15 23.930 -8.737 -5.097 117 HH12 ARG 15 HH12 ARG 15 25.033 -7.770 -6.020 118 HH21 ARG 15 HH21 ARG 15 23.783 -4.719 -4.857 119 HH22 ARG 15 HH22 ARG 15 24.949 -5.485 -5.881 120 H ARG 16 H ARG 16 21.947 -8.941 1.880 121 HA ARG 16 HA ARG 16 19.793 -10.725 1.521 122 HB2 ARG 16 HB2 ARG 16 22.039 -11.215 2.597 123 HB3 ARG 16 HB3 ARG 16 21.422 -10.424 4.041 124 HG2 ARG 16 HG2 ARG 16 21.129 -12.746 4.353 125 HG3 ARG 16 HG3 ARG 16 19.531 -12.076 4.014 126 HD2 ARG 16 HD2 ARG 16 19.689 -14.052 2.733 127 HD3 ARG 16 HD3 ARG 16 19.921 -12.721 1.599 128 HE ARG 16 HE ARG 16 22.434 -13.530 2.503 129 HH11 ARG 16 HH11 ARG 16 19.785 -14.779 0.620 130 HH12 ARG 16 HH12 ARG 16 20.787 -15.807 -0.349 131 HH21 ARG 16 HH21 ARG 16 23.764 -14.880 1.233 132 HH22 ARG 16 HH22 ARG 16 23.051 -15.864 0.001 133 H GLU 17 H GLU 17 20.291 -7.990 3.677 134 HA GLU 17 HA GLU 17 17.991 -8.463 5.286 135 HB2 GLU 17 HB2 GLU 17 19.734 -6.046 4.843 136 HB3 GLU 17 HB3 GLU 17 18.336 -6.008 5.908 137 HG2 GLU 17 HG2 GLU 17 20.572 -7.987 6.222 138 HG3 GLU 17 HG3 GLU 17 20.563 -6.408 7.006 139 H LYS 18 H LYS 18 18.604 -6.681 2.330 140 HA LYS 18 HA LYS 18 16.190 -5.219 2.255 141 HB2 LYS 18 HB2 LYS 18 18.080 -6.115 0.081 142 HB3 LYS 18 HB3 LYS 18 16.675 -5.106 -0.234 143 HG2 LYS 18 HG2 LYS 18 17.865 -3.737 1.785 144 HG3 LYS 18 HG3 LYS 18 19.263 -4.422 0.953 145 HD2 LYS 18 HD2 LYS 18 17.056 -2.890 -0.419 146 HD3 LYS 18 HD3 LYS 18 18.575 -2.171 0.121 147 HE2 LYS 18 HE2 LYS 18 18.408 -4.502 -1.781 148 HE3 LYS 18 HE3 LYS 18 18.501 -2.820 -2.303 149 HZ1 LYS 18 HZ1 LYS 18 20.521 -3.690 -0.401 150 HZ2 LYS 18 HZ2 LYS 18 20.665 -2.672 -1.743 151 HZ3 LYS 18 HZ3 LYS 18 20.634 -4.350 -1.955 152 H LYS 19 H LYS 19 17.084 -8.421 1.077 153 HA LYS 19 HA LYS 19 14.771 -8.969 -0.408 154 HB2 LYS 19 HB2 LYS 19 16.877 -10.312 -0.445 155 HB3 LYS 19 HB3 LYS 19 16.452 -10.952 1.137 156 HG2 LYS 19 HG2 LYS 19 14.500 -11.217 -1.096 157 HG3 LYS 19 HG3 LYS 19 15.906 -12.284 -1.047 158 HD2 LYS 19 HD2 LYS 19 15.200 -12.684 1.417 159 HD3 LYS 19 HD3 LYS 19 13.640 -12.044 0.897 160 HE2 LYS 19 HE2 LYS 19 13.444 -13.761 -0.781 161 HE3 LYS 19 HE3 LYS 19 15.069 -14.345 -0.428 162 HZ1 LYS 19 HZ1 LYS 19 12.588 -14.787 1.013 163 HZ2 LYS 19 HZ2 LYS 19 13.952 -14.521 1.976 164 HZ3 LYS 19 HZ3 LYS 19 13.943 -15.788 0.855 165 H GLN 20 H GLN 20 15.563 -10.005 2.916 166 HA GLN 20 HA GLN 20 13.115 -11.149 3.540 167 HB2 GLN 20 HB2 GLN 20 14.992 -11.480 4.992 168 HB3 GLN 20 HB3 GLN 20 15.129 -9.754 5.303 169 HG2 GLN 20 HG2 GLN 20 13.249 -9.726 6.675 170 HG3 GLN 20 HG3 GLN 20 12.659 -11.267 6.054 171 HE21 GLN 20 HE21 GLN 20 13.710 -9.979 8.737 172 HE22 GLN 20 HE22 GLN 20 14.612 -11.282 9.424 173 H CYS 21 H CYS 21 14.176 -7.788 3.920 174 HA CYS 21 HA CYS 21 11.829 -6.854 5.179 175 HB2 CYS 21 HB2 CYS 21 13.797 -5.514 5.331 176 HB3 CYS 21 HB3 CYS 21 13.970 -5.451 3.580 177 H LYS 22 H LYS 22 12.789 -7.093 1.792 178 HA LYS 22 HA LYS 22 10.600 -5.677 0.709 179 HB2 LYS 22 HB2 LYS 22 12.473 -5.997 -0.701 180 HB3 LYS 22 HB3 LYS 22 12.484 -7.734 -0.425 181 HG2 LYS 22 HG2 LYS 22 11.676 -7.210 -2.651 182 HG3 LYS 22 HG3 LYS 22 10.404 -7.955 -1.680 183 HD2 LYS 22 HD2 LYS 22 9.093 -6.155 -1.857 184 HD3 LYS 22 HD3 LYS 22 10.414 -5.062 -1.439 185 HE2 LYS 22 HE2 LYS 22 10.850 -4.575 -3.589 186 HE3 LYS 22 HE3 LYS 22 10.613 -6.241 -4.116 187 HZ1 LYS 22 HZ1 LYS 22 8.551 -5.790 -4.760 188 HZ2 LYS 22 HZ2 LYS 22 8.914 -4.151 -4.559 189 HZ3 LYS 22 HZ3 LYS 22 8.166 -5.011 -3.309 190 H GLU 23 H GLU 23 11.156 -9.189 0.444 191 HA GLU 23 HA GLU 23 8.555 -9.864 -0.253 192 HB2 GLU 23 HB2 GLU 23 10.587 -11.344 -0.382 193 HB3 GLU 23 HB3 GLU 23 10.432 -11.604 1.350 194 HG2 GLU 23 HG2 GLU 23 8.372 -12.727 1.096 195 HG3 GLU 23 HG3 GLU 23 8.221 -12.218 -0.585 196 H GLY 24 H GLY 24 10.028 -9.556 2.945 197 HA2 GLY 24 HA2 GLY 24 8.026 -10.642 4.522 198 HA3 GLY 24 HA3 GLY 24 9.077 -9.326 5.022 199 H CYS 25 H CYS 25 8.132 -7.512 2.941 200 HA CYS 25 HA CYS 25 6.010 -6.306 4.358 201 HB2 CYS 25 HB2 CYS 25 7.492 -4.928 3.065 202 HB3 CYS 25 HB3 CYS 25 7.110 -5.808 1.589 203 H ARG 26 H ARG 26 6.085 -8.077 1.278 204 HA ARG 26 HA ARG 26 3.254 -7.896 0.893 205 HB2 ARG 26 HB2 ARG 26 3.602 -9.355 -1.008 206 HB3 ARG 26 HB3 ARG 26 4.853 -8.119 -0.983 207 HG2 ARG 26 HG2 ARG 26 6.494 -9.640 -0.273 208 HG3 ARG 26 HG3 ARG 26 5.291 -10.851 0.175 209 HD2 ARG 26 HD2 ARG 26 5.616 -9.895 -2.653 210 HD3 ARG 26 HD3 ARG 26 6.584 -11.215 -1.998 211 HE ARG 26 HE ARG 26 3.822 -11.310 -2.763 212 HH11 ARG 26 HH11 ARG 26 6.255 -12.711 -0.704 213 HH12 ARG 26 HH12 ARG 26 5.441 -14.233 -0.559 214 HH21 ARG 26 HH21 ARG 26 2.741 -13.310 -2.580 215 HH22 ARG 26 HH22 ARG 26 3.443 -14.574 -1.627 216 H TYR 27 H TYR 27 1.690 -9.454 1.203 217 HA TYR 27 HA TYR 27 0.619 -11.134 2.301 218 HB2 TYR 27 HB2 TYR 27 3.178 -12.439 1.431 219 HB3 TYR 27 HB3 TYR 27 2.018 -13.333 2.407 220 HD1 TYR 27 HD1 TYR 27 1.772 -11.011 -0.520 221 HD2 TYR 27 HD2 TYR 27 0.750 -14.786 1.155 222 HE1 TYR 27 HE1 TYR 27 0.496 -11.559 -2.550 223 HE2 TYR 27 HE2 TYR 27 -0.528 -15.346 -0.870 224 HH TYR 27 HH TYR 27 -1.743 -13.846 -2.751 225 H GLY 28 H GLY 28 1.728 -9.262 3.988 226 HA2 GLY 28 HA2 GLY 28 2.960 -10.815 6.161 227 HA3 GLY 28 HA3 GLY 28 2.966 -9.063 6.028 Start of MODEL 2 1 H ALA 1 H ALA 1 0.496 0.636 -2.183 2 HA ALA 1 HA ALA 1 1.735 0.720 0.263 3 HB1 ALA 1 HB1 ALA 1 -0.205 -0.260 0.723 4 HB2 ALA 1 HB2 ALA 1 -0.390 -0.815 -0.941 5 HB3 ALA 1 HB3 ALA 1 0.522 -1.785 0.215 6 H ASP 2 H ASP 2 1.802 -2.166 -1.837 7 HA ASP 2 HA ASP 2 3.774 -3.546 -0.467 8 HB2 ASP 2 HB2 ASP 2 4.216 -4.630 -2.766 9 HB3 ASP 2 HB3 ASP 2 2.600 -4.779 -2.080 10 H ASP 3 H ASP 3 4.149 -1.349 -3.237 11 HA ASP 3 HA ASP 3 6.973 -1.557 -3.352 12 HB2 ASP 3 HB2 ASP 3 5.558 -0.779 -5.241 13 HB3 ASP 3 HB3 ASP 3 5.219 0.699 -4.345 14 H ARG 4 H ARG 4 4.768 0.600 -1.664 15 HA ARG 4 HA ARG 4 6.559 2.574 -0.860 16 HB2 ARG 4 HB2 ARG 4 4.080 1.470 0.455 17 HB3 ARG 4 HB3 ARG 4 4.976 2.828 1.123 18 HG2 ARG 4 HG2 ARG 4 4.034 2.892 -1.712 19 HG3 ARG 4 HG3 ARG 4 2.931 3.275 -0.388 20 HD2 ARG 4 HD2 ARG 4 5.612 4.602 -0.706 21 HD3 ARG 4 HD3 ARG 4 4.148 5.227 -1.465 22 HE ARG 4 HE ARG 4 3.531 4.899 1.198 23 HH11 ARG 4 HH11 ARG 4 5.855 6.709 -0.657 24 HH12 ARG 4 HH12 ARG 4 5.956 8.005 0.489 25 HH21 ARG 4 HH21 ARG 4 3.655 6.598 2.715 26 HH22 ARG 4 HH22 ARG 4 4.704 7.940 2.407 27 H CYS 5 H CYS 5 5.743 -0.513 0.683 28 HA CYS 5 HA CYS 5 7.323 -0.169 2.987 29 HB2 CYS 5 HB2 CYS 5 5.504 -1.936 2.489 30 HB3 CYS 5 HB3 CYS 5 6.800 -2.850 1.725 31 H TYR 6 H TYR 6 8.036 -1.582 -0.175 32 HA TYR 6 HA TYR 6 10.539 -2.655 0.351 33 HB2 TYR 6 HB2 TYR 6 9.506 -3.126 -1.745 34 HB3 TYR 6 HB3 TYR 6 9.405 -1.418 -2.157 35 HD1 TYR 6 HD1 TYR 6 10.765 -0.922 -3.948 36 HD2 TYR 6 HD2 TYR 6 12.185 -3.640 -0.998 37 HE1 TYR 6 HE1 TYR 6 12.914 -1.077 -5.134 38 HE2 TYR 6 HE2 TYR 6 14.338 -3.802 -2.175 39 HH TYR 6 HH TYR 6 14.916 -2.032 -5.202 40 H ARG 7 H ARG 7 9.598 0.665 -0.287 41 HA ARG 7 HA ARG 7 12.070 1.809 -0.813 42 HB2 ARG 7 HB2 ARG 7 9.777 3.009 0.753 43 HB3 ARG 7 HB3 ARG 7 11.101 3.909 0.025 44 HG2 ARG 7 HG2 ARG 7 9.410 2.149 -1.687 45 HG3 ARG 7 HG3 ARG 7 8.805 3.730 -1.186 46 HD2 ARG 7 HD2 ARG 7 11.452 3.273 -2.554 47 HD3 ARG 7 HD3 ARG 7 9.969 3.730 -3.390 48 HE ARG 7 HE ARG 7 10.255 5.635 -1.470 49 HH11 ARG 7 HH11 ARG 7 12.300 4.406 -4.006 50 HH12 ARG 7 HH12 ARG 7 13.132 5.908 -4.240 51 HH21 ARG 7 HH21 ARG 7 11.343 7.617 -1.769 52 HH22 ARG 7 HH22 ARG 7 12.588 7.733 -2.967 53 H MET 8 H MET 8 10.612 0.908 2.260 54 HA MET 8 HA MET 8 12.477 2.191 3.943 55 HB2 MET 8 HB2 MET 8 10.795 -0.270 4.444 56 HB3 MET 8 HB3 MET 8 11.655 0.633 5.684 57 HG2 MET 8 HG2 MET 8 9.501 1.785 3.929 58 HG3 MET 8 HG3 MET 8 9.236 1.143 5.548 59 HE1 MET 8 HE1 MET 8 10.042 3.992 3.377 60 HE2 MET 8 HE2 MET 8 8.662 4.350 4.415 61 HE3 MET 8 HE3 MET 8 10.126 5.329 4.524 62 H CYS 9 H CYS 9 12.497 -0.884 2.275 63 HA CYS 9 HA CYS 9 14.614 -2.098 3.687 64 HB2 CYS 9 HB2 CYS 9 13.925 -2.531 0.777 65 HB3 CYS 9 HB3 CYS 9 14.732 -3.658 1.862 66 H GLN 10 H GLN 10 14.531 0.311 1.189 67 HA GLN 10 HA GLN 10 17.062 0.085 0.084 68 HB2 GLN 10 HB2 GLN 10 15.256 1.651 -0.659 69 HB3 GLN 10 HB3 GLN 10 15.645 2.678 0.714 70 HG2 GLN 10 HG2 GLN 10 16.730 3.616 -1.152 71 HG3 GLN 10 HG3 GLN 10 17.982 2.826 -0.194 72 HE21 GLN 10 HE21 GLN 10 19.320 1.524 -1.224 73 HE22 GLN 10 HE22 GLN 10 19.058 0.826 -2.783 74 H ARG 11 H ARG 11 16.108 1.207 3.224 75 HA ARG 11 HA ARG 11 18.401 2.701 3.889 76 HB2 ARG 11 HB2 ARG 11 17.632 2.641 6.116 77 HB3 ARG 11 HB3 ARG 11 16.176 2.594 5.132 78 HG2 ARG 11 HG2 ARG 11 16.357 0.032 5.396 79 HG3 ARG 11 HG3 ARG 11 17.435 0.413 6.740 80 HD2 ARG 11 HD2 ARG 11 14.718 1.665 6.498 81 HD3 ARG 11 HD3 ARG 11 14.940 0.083 7.244 82 HE ARG 11 HE ARG 11 16.729 1.911 8.407 83 HH11 ARG 11 HH11 ARG 11 13.324 1.198 8.272 84 HH12 ARG 11 HH12 ARG 11 12.992 1.851 9.841 85 HH21 ARG 11 HH21 ARG 11 16.304 2.775 10.475 86 HH22 ARG 11 HH22 ARG 11 14.687 2.749 11.093 87 H TYR 12 H TYR 12 17.803 -0.706 3.724 88 HA TYR 12 HA TYR 12 20.115 -1.418 5.310 89 HB2 TYR 12 HB2 TYR 12 18.165 -3.047 3.680 90 HB3 TYR 12 HB3 TYR 12 19.535 -3.754 4.529 91 HD1 TYR 12 HD1 TYR 12 19.680 -3.270 7.078 92 HD2 TYR 12 HD2 TYR 12 16.131 -2.804 4.778 93 HE1 TYR 12 HE1 TYR 12 18.336 -3.418 9.133 94 HE2 TYR 12 HE2 TYR 12 14.777 -2.950 6.826 95 HH TYR 12 HH TYR 12 14.798 -3.411 9.018 96 H HIS 13 H HIS 13 22.094 -1.971 4.584 97 HA HIS 13 HA HIS 13 22.649 -1.514 1.756 98 HB2 HIS 13 HB2 HIS 13 24.316 -1.590 4.245 99 HB3 HIS 13 HB3 HIS 13 25.086 -1.819 2.677 100 HD1 HIS 13 HD1 HIS 13 24.826 0.729 4.930 101 HD2 HIS 13 HD2 HIS 13 23.774 0.497 0.917 102 HE1 HIS 13 HE1 HIS 13 24.771 3.106 4.111 103 H ASP 14 H ASP 14 22.641 -4.061 4.136 104 HA ASP 14 HA ASP 14 24.127 -5.940 2.575 105 HB2 ASP 14 HB2 ASP 14 23.020 -5.824 5.203 106 HB3 ASP 14 HB3 ASP 14 22.435 -7.291 4.423 107 H ARG 15 H ARG 15 23.419 -6.836 0.764 108 HA ARG 15 HA ARG 15 20.872 -6.675 -0.283 109 HB2 ARG 15 HB2 ARG 15 21.575 -8.688 -1.684 110 HB3 ARG 15 HB3 ARG 15 22.606 -7.266 -1.764 111 HG2 ARG 15 HG2 ARG 15 23.393 -9.154 0.314 112 HG3 ARG 15 HG3 ARG 15 23.450 -9.825 -1.317 113 HD2 ARG 15 HD2 ARG 15 25.200 -8.550 -1.909 114 HD3 ARG 15 HD3 ARG 15 24.560 -7.126 -1.090 115 HE ARG 15 HE ARG 15 25.841 -7.643 0.735 116 HH11 ARG 15 HH11 ARG 15 25.661 -10.419 -1.357 117 HH12 ARG 15 HH12 ARG 15 26.839 -11.328 -0.469 118 HH21 ARG 15 HH21 ARG 15 27.393 -8.829 1.913 119 HH22 ARG 15 HH22 ARG 15 27.823 -10.422 1.392 120 H ARG 16 H ARG 16 22.223 -9.079 1.888 121 HA ARG 16 HA ARG 16 20.161 -10.990 1.679 122 HB2 ARG 16 HB2 ARG 16 22.377 -11.444 2.686 123 HB3 ARG 16 HB3 ARG 16 21.951 -10.412 4.045 124 HG2 ARG 16 HG2 ARG 16 21.674 -12.736 4.637 125 HG3 ARG 16 HG3 ARG 16 20.105 -11.928 4.602 126 HD2 ARG 16 HD2 ARG 16 19.992 -14.131 3.554 127 HD3 ARG 16 HD3 ARG 16 19.669 -12.849 2.387 128 HE ARG 16 HE ARG 16 21.574 -13.441 1.252 129 HH11 ARG 16 HH11 ARG 16 21.563 -14.971 4.379 130 HH12 ARG 16 HH12 ARG 16 22.925 -15.984 4.033 131 HH21 ARG 16 HH21 ARG 16 23.368 -14.770 0.784 132 HH22 ARG 16 HH22 ARG 16 23.951 -15.869 1.988 133 H GLU 17 H GLU 17 20.587 -8.162 3.745 134 HA GLU 17 HA GLU 17 18.257 -8.680 5.326 135 HB2 GLU 17 HB2 GLU 17 20.141 -6.366 5.029 136 HB3 GLU 17 HB3 GLU 17 18.634 -6.164 5.911 137 HG2 GLU 17 HG2 GLU 17 19.395 -8.251 7.226 138 HG3 GLU 17 HG3 GLU 17 20.989 -7.879 6.571 139 H LYS 18 H LYS 18 18.979 -6.793 2.455 140 HA LYS 18 HA LYS 18 16.569 -5.325 2.355 141 HB2 LYS 18 HB2 LYS 18 18.781 -5.010 1.027 142 HB3 LYS 18 HB3 LYS 18 18.080 -6.161 -0.103 143 HG2 LYS 18 HG2 LYS 18 16.724 -4.630 -0.981 144 HG3 LYS 18 HG3 LYS 18 16.242 -4.023 0.605 145 HD2 LYS 18 HD2 LYS 18 17.623 -2.280 0.441 146 HD3 LYS 18 HD3 LYS 18 18.979 -3.317 -0.008 147 HE2 LYS 18 HE2 LYS 18 18.471 -1.663 -1.748 148 HE3 LYS 18 HE3 LYS 18 18.244 -3.314 -2.322 149 HZ1 LYS 18 HZ1 LYS 18 16.384 -1.212 -2.270 150 HZ2 LYS 18 HZ2 LYS 18 15.816 -2.447 -1.265 151 HZ3 LYS 18 HZ3 LYS 18 16.187 -2.777 -2.882 152 H LYS 19 H LYS 19 17.549 -8.375 0.818 153 HA LYS 19 HA LYS 19 15.255 -8.868 -0.663 154 HB2 LYS 19 HB2 LYS 19 17.546 -10.176 -0.411 155 HB3 LYS 19 HB3 LYS 19 16.604 -11.149 0.711 156 HG2 LYS 19 HG2 LYS 19 15.264 -10.663 -1.838 157 HG3 LYS 19 HG3 LYS 19 16.779 -11.559 -1.978 158 HD2 LYS 19 HD2 LYS 19 15.380 -13.310 -1.590 159 HD3 LYS 19 HD3 LYS 19 15.725 -12.874 0.085 160 HE2 LYS 19 HE2 LYS 19 13.629 -12.135 0.455 161 HE3 LYS 19 HE3 LYS 19 13.490 -11.417 -1.149 162 HZ1 LYS 19 HZ1 LYS 19 12.257 -13.137 -1.746 163 HZ2 LYS 19 HZ2 LYS 19 12.455 -13.863 -0.231 164 HZ3 LYS 19 HZ3 LYS 19 13.559 -14.182 -1.471 165 H GLN 20 H GLN 20 15.998 -10.016 2.630 166 HA GLN 20 HA GLN 20 13.597 -11.307 3.142 167 HB2 GLN 20 HB2 GLN 20 15.675 -11.344 4.565 168 HB3 GLN 20 HB3 GLN 20 15.201 -9.768 5.185 169 HG2 GLN 20 HG2 GLN 20 14.435 -11.243 6.796 170 HG3 GLN 20 HG3 GLN 20 12.998 -10.901 5.833 171 HE21 GLN 20 HE21 GLN 20 15.606 -13.225 6.294 172 HE22 GLN 20 HE22 GLN 20 14.717 -14.605 5.754 173 H CYS 21 H CYS 21 14.461 -7.907 3.632 174 HA CYS 21 HA CYS 21 12.033 -7.134 4.849 175 HB2 CYS 21 HB2 CYS 21 13.941 -5.706 5.081 176 HB3 CYS 21 HB3 CYS 21 14.122 -5.563 3.335 177 H LYS 22 H LYS 22 13.117 -7.150 1.482 178 HA LYS 22 HA LYS 22 10.978 -5.811 0.314 179 HB2 LYS 22 HB2 LYS 22 12.928 -6.316 -0.987 180 HB3 LYS 22 HB3 LYS 22 12.714 -8.044 -0.743 181 HG2 LYS 22 HG2 LYS 22 12.043 -7.477 -2.971 182 HG3 LYS 22 HG3 LYS 22 10.613 -7.928 -2.040 183 HD2 LYS 22 HD2 LYS 22 10.465 -5.353 -1.588 184 HD3 LYS 22 HD3 LYS 22 11.465 -5.245 -3.039 185 HE2 LYS 22 HE2 LYS 22 8.947 -6.875 -2.994 186 HE3 LYS 22 HE3 LYS 22 8.907 -5.140 -3.300 187 HZ1 LYS 22 HZ1 LYS 22 9.277 -5.677 -5.411 188 HZ2 LYS 22 HZ2 LYS 22 9.689 -7.274 -5.038 189 HZ3 LYS 22 HZ3 LYS 22 10.862 -6.057 -4.959 190 H GLU 23 H GLU 23 11.391 -9.357 0.318 191 HA GLU 23 HA GLU 23 8.742 -9.916 -0.420 192 HB2 GLU 23 HB2 GLU 23 10.843 -11.439 -0.432 193 HB3 GLU 23 HB3 GLU 23 10.393 -11.808 1.226 194 HG2 GLU 23 HG2 GLU 23 8.040 -12.249 0.068 195 HG3 GLU 23 HG3 GLU 23 9.086 -12.574 -1.313 196 H GLY 24 H GLY 24 10.300 -9.832 2.769 197 HA2 GLY 24 HA2 GLY 24 8.223 -10.737 4.349 198 HA3 GLY 24 HA3 GLY 24 9.405 -9.545 4.866 199 H CYS 25 H CYS 25 8.633 -7.569 2.885 200 HA CYS 25 HA CYS 25 6.626 -6.236 4.360 201 HB2 CYS 25 HB2 CYS 25 8.094 -5.725 1.815 202 HB3 CYS 25 HB3 CYS 25 6.628 -4.799 2.122 203 H ARG 26 H ARG 26 6.562 -8.138 1.401 204 HA ARG 26 HA ARG 26 3.915 -7.505 0.636 205 HB2 ARG 26 HB2 ARG 26 5.383 -10.075 0.040 206 HB3 ARG 26 HB3 ARG 26 4.078 -9.349 -0.889 207 HG2 ARG 26 HG2 ARG 26 6.845 -8.211 -0.547 208 HG3 ARG 26 HG3 ARG 26 6.226 -9.033 -1.980 209 HD2 ARG 26 HD2 ARG 26 4.341 -7.084 -1.517 210 HD3 ARG 26 HD3 ARG 26 5.853 -6.284 -1.088 211 HE ARG 26 HE ARG 26 6.387 -6.223 -3.304 212 HH11 ARG 26 HH11 ARG 26 3.939 -8.649 -2.815 213 HH12 ARG 26 HH12 ARG 26 3.734 -8.970 -4.505 214 HH21 ARG 26 HH21 ARG 26 6.127 -6.636 -5.532 215 HH22 ARG 26 HH22 ARG 26 4.980 -7.825 -6.050 216 H TYR 27 H TYR 27 1.981 -8.371 1.175 217 HA TYR 27 HA TYR 27 0.407 -9.500 2.366 218 HB2 TYR 27 HB2 TYR 27 2.477 -11.683 2.644 219 HB3 TYR 27 HB3 TYR 27 0.729 -11.853 2.750 220 HD1 TYR 27 HD1 TYR 27 3.227 -12.833 0.787 221 HD2 TYR 27 HD2 TYR 27 -0.291 -10.464 0.450 222 HE1 TYR 27 HE1 TYR 27 3.136 -13.322 -1.622 223 HE2 TYR 27 HE2 TYR 27 -0.394 -10.948 -1.959 224 HH TYR 27 HH TYR 27 0.452 -12.178 -3.628 225 H GLY 28 H GLY 28 2.021 -7.658 3.761 226 HA2 GLY 28 HA2 GLY 28 2.905 -8.773 6.247 227 HA3 GLY 28 HA3 GLY 28 2.720 -7.065 5.879 Start of MODEL 3 1 H ALA 1 H ALA 1 4.649 6.151 -5.827 2 HA ALA 1 HA ALA 1 6.878 5.016 -7.261 3 HB1 ALA 1 HB1 ALA 1 7.557 4.339 -4.870 4 HB2 ALA 1 HB2 ALA 1 7.527 6.054 -5.283 5 HB3 ALA 1 HB3 ALA 1 6.200 5.345 -4.362 6 H ASP 2 H ASP 2 7.673 2.788 -6.393 7 HA ASP 2 HA ASP 2 5.789 0.848 -7.251 8 HB2 ASP 2 HB2 ASP 2 8.559 0.740 -6.109 9 HB3 ASP 2 HB3 ASP 2 7.623 -0.744 -6.271 10 H ASP 3 H ASP 3 7.427 1.138 -4.093 11 HA ASP 3 HA ASP 3 4.956 0.650 -2.687 12 HB2 ASP 3 HB2 ASP 3 5.922 -1.630 -3.423 13 HB3 ASP 3 HB3 ASP 3 7.164 -1.337 -2.209 14 H ARG 4 H ARG 4 4.999 1.926 -0.969 15 HA ARG 4 HA ARG 4 7.210 3.398 -0.141 16 HB2 ARG 4 HB2 ARG 4 4.703 2.676 1.386 17 HB3 ARG 4 HB3 ARG 4 5.865 3.890 1.905 18 HG2 ARG 4 HG2 ARG 4 4.357 3.990 -0.698 19 HG3 ARG 4 HG3 ARG 4 3.862 4.818 0.780 20 HD2 ARG 4 HD2 ARG 4 6.069 5.983 0.776 21 HD3 ARG 4 HD3 ARG 4 6.392 5.257 -0.798 22 HE ARG 4 HE ARG 4 3.935 6.577 -0.939 23 HH11 ARG 4 HH11 ARG 4 7.312 7.321 -0.528 24 HH12 ARG 4 HH12 ARG 4 7.190 8.887 -1.260 25 HH21 ARG 4 HH21 ARG 4 3.762 8.636 -1.904 26 HH22 ARG 4 HH22 ARG 4 5.170 9.634 -2.041 27 H CYS 5 H CYS 5 5.985 0.300 0.990 28 HA CYS 5 HA CYS 5 7.605 0.081 3.290 29 HB2 CYS 5 HB2 CYS 5 5.552 -1.361 2.349 30 HB3 CYS 5 HB3 CYS 5 6.874 -2.385 1.798 31 H TYR 6 H TYR 6 7.987 -1.451 0.089 32 HA TYR 6 HA TYR 6 10.478 -2.593 0.519 33 HB2 TYR 6 HB2 TYR 6 9.277 -3.232 -1.427 34 HB3 TYR 6 HB3 TYR 6 9.161 -1.570 -1.994 35 HD1 TYR 6 HD1 TYR 6 12.042 -3.659 -0.843 36 HD2 TYR 6 HD2 TYR 6 10.321 -1.351 -3.977 37 HE1 TYR 6 HE1 TYR 6 14.074 -3.984 -2.191 38 HE2 TYR 6 HE2 TYR 6 12.348 -1.671 -5.333 39 HH TYR 6 HH TYR 6 14.222 -3.244 -5.502 40 H ARG 7 H ARG 7 9.633 0.690 -0.400 41 HA ARG 7 HA ARG 7 12.104 1.640 -1.229 42 HB2 ARG 7 HB2 ARG 7 9.757 2.932 0.118 43 HB3 ARG 7 HB3 ARG 7 11.222 3.859 -0.176 44 HG2 ARG 7 HG2 ARG 7 11.045 3.438 -2.556 45 HG3 ARG 7 HG3 ARG 7 9.619 2.433 -2.289 46 HD2 ARG 7 HD2 ARG 7 9.166 4.792 -3.047 47 HD3 ARG 7 HD3 ARG 7 8.332 4.288 -1.578 48 HE ARG 7 HE ARG 7 9.500 5.874 -0.414 49 HH11 ARG 7 HH11 ARG 7 11.040 5.355 -3.493 50 HH12 ARG 7 HH12 ARG 7 12.145 6.677 -3.310 51 HH21 ARG 7 HH21 ARG 7 10.950 7.617 -0.162 52 HH22 ARG 7 HH22 ARG 7 12.094 7.962 -1.414 53 H MET 8 H MET 8 10.858 1.139 2.021 54 HA MET 8 HA MET 8 12.902 2.497 3.413 55 HB2 MET 8 HB2 MET 8 10.776 1.888 4.464 56 HB3 MET 8 HB3 MET 8 11.173 0.183 4.307 57 HG2 MET 8 HG2 MET 8 11.596 0.800 6.549 58 HG3 MET 8 HG3 MET 8 13.158 0.594 5.762 59 HE1 MET 8 HE1 MET 8 12.658 1.800 8.430 60 HE2 MET 8 HE2 MET 8 14.297 2.299 8.012 61 HE3 MET 8 HE3 MET 8 13.126 3.494 8.572 62 H CYS 9 H CYS 9 12.665 -0.729 2.084 63 HA CYS 9 HA CYS 9 14.833 -1.895 3.459 64 HB2 CYS 9 HB2 CYS 9 13.905 -2.590 0.669 65 HB3 CYS 9 HB3 CYS 9 14.743 -3.639 1.808 66 H GLN 10 H GLN 10 14.654 0.234 0.720 67 HA GLN 10 HA GLN 10 17.085 -0.227 -0.526 68 HB2 GLN 10 HB2 GLN 10 15.640 2.394 -0.104 69 HB3 GLN 10 HB3 GLN 10 16.973 2.161 -1.227 70 HG2 GLN 10 HG2 GLN 10 14.496 0.492 -1.399 71 HG3 GLN 10 HG3 GLN 10 14.577 2.093 -2.131 72 HE21 GLN 10 HE21 GLN 10 14.165 0.781 -4.083 73 HE22 GLN 10 HE22 GLN 10 15.525 0.121 -4.920 74 H ARG 11 H ARG 11 16.407 1.293 2.520 75 HA ARG 11 HA ARG 11 18.807 2.731 2.848 76 HB2 ARG 11 HB2 ARG 11 18.191 2.989 5.102 77 HB3 ARG 11 HB3 ARG 11 16.664 2.875 4.237 78 HG2 ARG 11 HG2 ARG 11 16.172 1.424 5.883 79 HG3 ARG 11 HG3 ARG 11 17.028 0.289 4.838 80 HD2 ARG 11 HD2 ARG 11 18.112 -0.108 6.807 81 HD3 ARG 11 HD3 ARG 11 19.122 1.187 6.167 82 HE ARG 11 HE ARG 11 18.457 2.496 7.912 83 HH11 ARG 11 HH11 ARG 11 16.173 -0.105 7.533 84 HH12 ARG 11 HH12 ARG 11 15.276 0.301 8.959 85 HH21 ARG 11 HH21 ARG 11 17.284 3.040 9.792 86 HH22 ARG 11 HH22 ARG 11 15.909 2.091 10.242 87 H TYR 12 H TYR 12 18.033 -0.635 3.165 88 HA TYR 12 HA TYR 12 20.430 -1.273 4.652 89 HB2 TYR 12 HB2 TYR 12 18.257 -2.965 3.417 90 HB3 TYR 12 HB3 TYR 12 19.670 -3.658 4.206 91 HD1 TYR 12 HD1 TYR 12 20.124 -2.565 6.636 92 HD2 TYR 12 HD2 TYR 12 16.348 -2.803 4.690 93 HE1 TYR 12 HE1 TYR 12 18.997 -2.392 8.815 94 HE2 TYR 12 HE2 TYR 12 15.210 -2.630 6.864 95 HH TYR 12 HH TYR 12 16.537 -3.216 9.684 96 H HIS 13 H HIS 13 22.344 -1.825 3.828 97 HA HIS 13 HA HIS 13 22.653 -1.866 0.936 98 HB2 HIS 13 HB2 HIS 13 24.521 -1.601 3.262 99 HB3 HIS 13 HB3 HIS 13 25.158 -2.097 1.697 100 HD1 HIS 13 HD1 HIS 13 25.805 0.640 3.144 101 HD2 HIS 13 HD2 HIS 13 23.057 0.088 0.078 102 HE1 HIS 13 HE1 HIS 13 25.547 2.894 2.058 103 H ASP 14 H ASP 14 22.738 -4.035 3.647 104 HA ASP 14 HA ASP 14 24.109 -6.162 2.317 105 HB2 ASP 14 HB2 ASP 14 23.105 -5.640 4.942 106 HB3 ASP 14 HB3 ASP 14 22.475 -7.194 4.401 107 H ARG 15 H ARG 15 23.324 -7.423 0.777 108 HA ARG 15 HA ARG 15 20.780 -7.299 -0.284 109 HB2 ARG 15 HB2 ARG 15 22.646 -9.679 -0.316 110 HB3 ARG 15 HB3 ARG 15 21.296 -9.419 -1.413 111 HG2 ARG 15 HG2 ARG 15 22.401 -7.395 -2.263 112 HG3 ARG 15 HG3 ARG 15 23.769 -7.715 -1.195 113 HD2 ARG 15 HD2 ARG 15 24.512 -8.659 -3.153 114 HD3 ARG 15 HD3 ARG 15 23.757 -10.049 -2.376 115 HE ARG 15 HE ARG 15 21.816 -8.816 -3.938 116 HH11 ARG 15 HH11 ARG 15 24.853 -10.461 -4.374 117 HH12 ARG 15 HH12 ARG 15 24.451 -11.061 -5.949 118 HH21 ARG 15 HH21 ARG 15 21.274 -9.601 -6.010 119 HH22 ARG 15 HH22 ARG 15 22.415 -10.571 -6.878 120 H ARG 16 H ARG 16 21.988 -9.297 2.336 121 HA ARG 16 HA ARG 16 19.797 -11.061 2.519 122 HB2 ARG 16 HB2 ARG 16 22.145 -11.157 3.644 123 HB3 ARG 16 HB3 ARG 16 21.386 -10.210 4.916 124 HG2 ARG 16 HG2 ARG 16 19.805 -11.941 5.362 125 HG3 ARG 16 HG3 ARG 16 20.335 -12.856 3.950 126 HD2 ARG 16 HD2 ARG 16 22.110 -12.188 6.291 127 HD3 ARG 16 HD3 ARG 16 21.213 -13.698 6.136 128 HE ARG 16 HE ARG 16 22.871 -13.130 3.867 129 HH11 ARG 16 HH11 ARG 16 22.797 -14.497 7.067 130 HH12 ARG 16 HH12 ARG 16 24.158 -15.534 6.797 131 HH21 ARG 16 HH21 ARG 16 24.664 -14.491 3.499 132 HH22 ARG 16 HH22 ARG 16 25.220 -15.529 4.767 133 H GLU 17 H GLU 17 20.448 -7.912 3.975 134 HA GLU 17 HA GLU 17 18.102 -7.930 5.615 135 HB2 GLU 17 HB2 GLU 17 20.179 -5.902 4.894 136 HB3 GLU 17 HB3 GLU 17 18.681 -5.363 5.639 137 HG2 GLU 17 HG2 GLU 17 20.463 -7.474 6.823 138 HG3 GLU 17 HG3 GLU 17 20.575 -5.760 7.217 139 H LYS 18 H LYS 18 18.936 -6.700 2.432 140 HA LYS 18 HA LYS 18 16.634 -5.116 2.029 141 HB2 LYS 18 HB2 LYS 18 18.944 -5.545 0.642 142 HB3 LYS 18 HB3 LYS 18 17.783 -6.411 -0.355 143 HG2 LYS 18 HG2 LYS 18 16.983 -3.708 0.505 144 HG3 LYS 18 HG3 LYS 18 18.332 -3.801 -0.630 145 HD2 LYS 18 HD2 LYS 18 15.701 -5.207 -1.054 146 HD3 LYS 18 HD3 LYS 18 16.054 -3.595 -1.679 147 HE2 LYS 18 HE2 LYS 18 17.982 -5.786 -2.252 148 HE3 LYS 18 HE3 LYS 18 16.453 -5.772 -3.129 149 HZ1 LYS 18 HZ1 LYS 18 16.942 -3.732 -4.099 150 HZ2 LYS 18 HZ2 LYS 18 18.421 -4.551 -4.152 151 HZ3 LYS 18 HZ3 LYS 18 18.155 -3.362 -2.978 152 H LYS 19 H LYS 19 17.409 -8.371 0.787 153 HA LYS 19 HA LYS 19 14.951 -8.922 -0.378 154 HB2 LYS 19 HB2 LYS 19 17.152 -10.260 -0.462 155 HB3 LYS 19 HB3 LYS 19 16.587 -11.031 1.014 156 HG2 LYS 19 HG2 LYS 19 14.802 -10.958 -1.372 157 HG3 LYS 19 HG3 LYS 19 16.130 -12.119 -1.310 158 HD2 LYS 19 HD2 LYS 19 15.223 -12.761 0.993 159 HD3 LYS 19 HD3 LYS 19 13.772 -11.864 0.538 160 HE2 LYS 19 HE2 LYS 19 14.958 -14.141 -1.045 161 HE3 LYS 19 HE3 LYS 19 13.614 -14.297 0.086 162 HZ1 LYS 19 HZ1 LYS 19 12.506 -12.519 -1.337 163 HZ2 LYS 19 HZ2 LYS 19 12.613 -14.077 -1.987 164 HZ3 LYS 19 HZ3 LYS 19 13.683 -12.870 -2.500 165 H GLN 20 H GLN 20 16.061 -9.789 2.897 166 HA GLN 20 HA GLN 20 13.742 -11.021 3.789 167 HB2 GLN 20 HB2 GLN 20 15.903 -11.008 5.004 168 HB3 GLN 20 HB3 GLN 20 15.631 -9.323 5.428 169 HG2 GLN 20 HG2 GLN 20 15.078 -10.813 7.270 170 HG3 GLN 20 HG3 GLN 20 13.659 -9.936 6.699 171 HE21 GLN 20 HE21 GLN 20 11.942 -11.177 6.831 172 HE22 GLN 20 HE22 GLN 20 11.854 -12.849 6.405 173 H CYS 21 H CYS 21 14.636 -7.591 3.902 174 HA CYS 21 HA CYS 21 12.337 -6.713 5.283 175 HB2 CYS 21 HB2 CYS 21 14.253 -5.278 5.206 176 HB3 CYS 21 HB3 CYS 21 14.255 -5.277 3.445 177 H LYS 22 H LYS 22 13.087 -6.981 1.834 178 HA LYS 22 HA LYS 22 10.821 -5.747 0.793 179 HB2 LYS 22 HB2 LYS 22 12.605 -6.294 -0.685 180 HB3 LYS 22 HB3 LYS 22 12.529 -7.999 -0.259 181 HG2 LYS 22 HG2 LYS 22 11.600 -7.541 -2.480 182 HG3 LYS 22 HG3 LYS 22 10.402 -8.225 -1.379 183 HD2 LYS 22 HD2 LYS 22 9.156 -6.334 -1.350 184 HD3 LYS 22 HD3 LYS 22 10.566 -5.278 -1.451 185 HE2 LYS 22 HE2 LYS 22 9.603 -6.926 -3.775 186 HE3 LYS 22 HE3 LYS 22 9.003 -5.300 -3.454 187 HZ1 LYS 22 HZ1 LYS 22 11.841 -5.370 -3.387 188 HZ2 LYS 22 HZ2 LYS 22 10.818 -4.428 -4.350 189 HZ3 LYS 22 HZ3 LYS 22 11.269 -5.977 -4.859 190 H GLU 23 H GLU 23 11.325 -9.253 1.250 191 HA GLU 23 HA GLU 23 8.654 -9.960 0.693 192 HB2 GLU 23 HB2 GLU 23 10.821 -11.417 0.803 193 HB3 GLU 23 HB3 GLU 23 10.392 -11.605 2.497 194 HG2 GLU 23 HG2 GLU 23 9.329 -13.418 1.666 195 HG3 GLU 23 HG3 GLU 23 8.043 -12.232 1.448 196 H GLY 24 H GLY 24 10.361 -9.342 3.736 197 HA2 GLY 24 HA2 GLY 24 8.428 -10.103 5.558 198 HA3 GLY 24 HA3 GLY 24 9.560 -8.783 5.816 199 H CYS 25 H CYS 25 8.555 -7.193 3.596 200 HA CYS 25 HA CYS 25 6.554 -5.750 4.976 201 HB2 CYS 25 HB2 CYS 25 7.815 -5.573 2.272 202 HB3 CYS 25 HB3 CYS 25 6.346 -4.653 2.581 203 H ARG 26 H ARG 26 6.452 -8.110 2.372 204 HA ARG 26 HA ARG 26 3.739 -7.741 1.667 205 HB2 ARG 26 HB2 ARG 26 5.307 -10.308 1.419 206 HB3 ARG 26 HB3 ARG 26 3.934 -9.792 0.449 207 HG2 ARG 26 HG2 ARG 26 6.660 -8.513 0.472 208 HG3 ARG 26 HG3 ARG 26 6.019 -9.577 -0.781 209 HD2 ARG 26 HD2 ARG 26 4.940 -6.873 0.006 210 HD3 ARG 26 HD3 ARG 26 5.829 -7.258 -1.467 211 HE ARG 26 HE ARG 26 3.047 -7.720 -0.958 212 HH11 ARG 26 HH11 ARG 26 5.822 -8.796 -2.763 213 HH12 ARG 26 HH12 ARG 26 4.883 -9.495 -4.041 214 HH21 ARG 26 HH21 ARG 26 1.800 -8.637 -2.633 215 HH22 ARG 26 HH22 ARG 26 2.595 -9.403 -3.966 216 H TYR 27 H TYR 27 1.884 -8.643 2.417 217 HA TYR 27 HA TYR 27 2.038 -9.956 5.015 218 HB2 TYR 27 HB2 TYR 27 -0.392 -8.975 3.505 219 HB3 TYR 27 HB3 TYR 27 -0.347 -9.496 5.186 220 HD1 TYR 27 HD1 TYR 27 0.530 -8.056 6.913 221 HD2 TYR 27 HD2 TYR 27 0.571 -6.825 2.840 222 HE1 TYR 27 HE1 TYR 27 1.019 -5.751 7.620 223 HE2 TYR 27 HE2 TYR 27 1.061 -4.518 3.536 224 HH TYR 27 HH TYR 27 1.119 -3.598 6.940 225 H GLY 28 H GLY 28 0.056 -10.437 2.081 226 HA2 GLY 28 HA2 GLY 28 0.438 -13.341 2.424 227 HA3 GLY 28 HA3 GLY 28 -1.171 -12.678 2.179 Start of MODEL 4 1 H ALA 1 H ALA 1 5.245 -5.856 -7.241 2 HA ALA 1 HA ALA 1 7.973 -5.940 -6.960 3 HB1 ALA 1 HB1 ALA 1 6.255 -4.344 -8.838 4 HB2 ALA 1 HB2 ALA 1 8.016 -4.362 -8.952 5 HB3 ALA 1 HB3 ALA 1 7.105 -5.860 -9.144 6 H ASP 2 H ASP 2 5.970 -2.989 -6.857 7 HA ASP 2 HA ASP 2 8.127 -1.704 -5.313 8 HB2 ASP 2 HB2 ASP 2 7.549 0.410 -6.306 9 HB3 ASP 2 HB3 ASP 2 7.780 -0.756 -7.605 10 H ASP 3 H ASP 3 7.603 -0.663 -3.451 11 HA ASP 3 HA ASP 3 4.872 -0.054 -2.770 12 HB2 ASP 3 HB2 ASP 3 5.263 -2.562 -2.284 13 HB3 ASP 3 HB3 ASP 3 6.269 -2.001 -0.950 14 H ARG 4 H ARG 4 4.683 1.235 -0.886 15 HA ARG 4 HA ARG 4 6.731 3.062 -0.465 16 HB2 ARG 4 HB2 ARG 4 4.248 3.275 0.107 17 HB3 ARG 4 HB3 ARG 4 4.630 2.427 1.599 18 HG2 ARG 4 HG2 ARG 4 6.087 4.179 2.307 19 HG3 ARG 4 HG3 ARG 4 5.963 4.983 0.740 20 HD2 ARG 4 HD2 ARG 4 4.502 6.204 2.063 21 HD3 ARG 4 HD3 ARG 4 3.432 5.066 1.246 22 HE ARG 4 HE ARG 4 2.908 4.193 3.283 23 HH11 ARG 4 HH11 ARG 4 5.950 5.865 3.546 24 HH12 ARG 4 HH12 ARG 4 6.073 5.641 5.259 25 HH21 ARG 4 HH21 ARG 4 3.059 3.891 5.539 26 HH22 ARG 4 HH22 ARG 4 4.429 4.517 6.392 27 H CYS 5 H CYS 5 5.833 0.214 1.446 28 HA CYS 5 HA CYS 5 7.724 0.602 3.505 29 HB2 CYS 5 HB2 CYS 5 5.750 -0.910 3.658 30 HB3 CYS 5 HB3 CYS 5 6.546 -2.012 2.538 31 H TYR 6 H TYR 6 7.839 -1.256 0.491 32 HA TYR 6 HA TYR 6 10.283 -2.522 0.834 33 HB2 TYR 6 HB2 TYR 6 8.947 -3.161 -1.021 34 HB3 TYR 6 HB3 TYR 6 8.891 -1.516 -1.644 35 HD1 TYR 6 HD1 TYR 6 9.874 -1.581 -3.747 36 HD2 TYR 6 HD2 TYR 6 11.790 -3.573 -0.512 37 HE1 TYR 6 HE1 TYR 6 11.804 -2.060 -5.193 38 HE2 TYR 6 HE2 TYR 6 13.726 -4.057 -1.949 39 HH TYR 6 HH TYR 6 13.662 -3.509 -5.364 40 H ARG 7 H ARG 7 9.570 0.770 -0.156 41 HA ARG 7 HA ARG 7 12.038 1.552 -1.152 42 HB2 ARG 7 HB2 ARG 7 10.090 3.185 0.486 43 HB3 ARG 7 HB3 ARG 7 11.394 3.843 -0.494 44 HG2 ARG 7 HG2 ARG 7 9.508 2.052 -1.882 45 HG3 ARG 7 HG3 ARG 7 8.865 3.607 -1.347 46 HD2 ARG 7 HD2 ARG 7 10.373 4.815 -2.656 47 HD3 ARG 7 HD3 ARG 7 11.457 3.436 -2.842 48 HE ARG 7 HE ARG 7 8.851 3.063 -4.013 49 HH11 ARG 7 HH11 ARG 7 12.093 4.232 -4.505 50 HH12 ARG 7 HH12 ARG 7 12.029 4.072 -6.229 51 HH21 ARG 7 HH21 ARG 7 8.754 2.848 -6.282 52 HH22 ARG 7 HH22 ARG 7 10.129 3.285 -7.239 53 H MET 8 H MET 8 10.950 1.229 2.178 54 HA MET 8 HA MET 8 13.141 2.515 3.407 55 HB2 MET 8 HB2 MET 8 11.332 0.337 4.469 56 HB3 MET 8 HB3 MET 8 12.434 1.299 5.446 57 HG2 MET 8 HG2 MET 8 10.151 2.416 3.836 58 HG3 MET 8 HG3 MET 8 10.090 2.056 5.560 59 HE1 MET 8 HE1 MET 8 9.066 4.402 5.200 60 HE2 MET 8 HE2 MET 8 9.857 4.772 6.733 61 HE3 MET 8 HE3 MET 8 10.002 5.888 5.374 62 H CYS 9 H CYS 9 12.650 -0.739 2.218 63 HA CYS 9 HA CYS 9 14.831 -1.973 3.511 64 HB2 CYS 9 HB2 CYS 9 13.706 -2.724 0.809 65 HB3 CYS 9 HB3 CYS 9 14.542 -3.773 1.949 66 H GLN 10 H GLN 10 14.564 -0.102 0.558 67 HA GLN 10 HA GLN 10 16.970 -0.725 -0.672 68 HB2 GLN 10 HB2 GLN 10 14.996 0.860 -1.379 69 HB3 GLN 10 HB3 GLN 10 16.001 2.106 -0.650 70 HG2 GLN 10 HG2 GLN 10 17.832 1.510 -2.152 71 HG3 GLN 10 HG3 GLN 10 16.822 0.264 -2.884 72 HE21 GLN 10 HE21 GLN 10 17.984 3.245 -3.355 73 HE22 GLN 10 HE22 GLN 10 16.742 3.912 -4.355 74 H ARG 11 H ARG 11 16.354 1.155 2.173 75 HA ARG 11 HA ARG 11 18.738 2.651 2.259 76 HB2 ARG 11 HB2 ARG 11 16.894 3.247 3.686 77 HB3 ARG 11 HB3 ARG 11 16.926 1.670 4.465 78 HG2 ARG 11 HG2 ARG 11 19.075 2.172 5.462 79 HG3 ARG 11 HG3 ARG 11 19.120 3.725 4.626 80 HD2 ARG 11 HD2 ARG 11 16.926 4.239 5.819 81 HD3 ARG 11 HD3 ARG 11 17.281 2.840 6.831 82 HE ARG 11 HE ARG 11 19.528 4.494 6.831 83 HH11 ARG 11 HH11 ARG 11 16.222 4.540 7.922 84 HH12 ARG 11 HH12 ARG 11 16.539 5.604 9.252 85 HH21 ARG 11 HH21 ARG 11 19.958 5.896 8.578 86 HH22 ARG 11 HH22 ARG 11 18.664 6.376 9.623 87 H TYR 12 H TYR 12 18.035 -0.664 2.980 88 HA TYR 12 HA TYR 12 20.475 -1.091 4.473 89 HB2 TYR 12 HB2 TYR 12 18.623 -3.202 3.369 90 HB3 TYR 12 HB3 TYR 12 19.756 -3.356 4.707 91 HD1 TYR 12 HD1 TYR 12 16.604 -3.783 4.444 92 HD2 TYR 12 HD2 TYR 12 19.096 -0.769 6.123 93 HE1 TYR 12 HE1 TYR 12 14.813 -3.189 6.022 94 HE2 TYR 12 HE2 TYR 12 17.312 -0.168 7.706 95 HH TYR 12 HH TYR 12 14.144 -1.759 7.595 96 H HIS 13 H HIS 13 22.364 -1.842 3.712 97 HA HIS 13 HA HIS 13 22.657 -2.091 0.829 98 HB2 HIS 13 HB2 HIS 13 24.699 -2.049 3.060 99 HB3 HIS 13 HB3 HIS 13 25.099 -2.159 1.348 100 HD1 HIS 13 HD1 HIS 13 23.390 -0.024 0.115 101 HD2 HIS 13 HD2 HIS 13 25.328 0.485 3.754 102 HE1 HIS 13 HE1 HIS 13 23.610 2.463 0.418 103 H ASP 14 H ASP 14 22.599 -4.085 3.659 104 HA ASP 14 HA ASP 14 23.907 -6.349 2.503 105 HB2 ASP 14 HB2 ASP 14 22.815 -5.626 5.058 106 HB3 ASP 14 HB3 ASP 14 22.196 -7.207 4.587 107 H ARG 15 H ARG 15 23.104 -7.620 0.981 108 HA ARG 15 HA ARG 15 20.580 -7.462 -0.122 109 HB2 ARG 15 HB2 ARG 15 21.050 -9.620 -1.179 110 HB3 ARG 15 HB3 ARG 15 22.460 -8.570 -1.228 111 HG2 ARG 15 HG2 ARG 15 22.996 -9.886 1.032 112 HG3 ARG 15 HG3 ARG 15 22.035 -11.115 0.208 113 HD2 ARG 15 HD2 ARG 15 23.848 -9.993 -1.671 114 HD3 ARG 15 HD3 ARG 15 24.752 -10.407 -0.215 115 HE ARG 15 HE ARG 15 24.420 -12.626 -0.679 116 HH11 ARG 15 HH11 ARG 15 22.257 -10.710 -2.620 117 HH12 ARG 15 HH12 ARG 15 21.723 -12.049 -3.581 118 HH21 ARG 15 HH21 ARG 15 23.726 -14.397 -1.937 119 HH22 ARG 15 HH22 ARG 15 22.559 -14.146 -3.191 120 H ARG 16 H ARG 16 21.690 -9.384 2.594 121 HA ARG 16 HA ARG 16 19.451 -11.083 2.810 122 HB2 ARG 16 HB2 ARG 16 21.549 -11.566 3.954 123 HB3 ARG 16 HB3 ARG 16 21.370 -10.119 4.937 124 HG2 ARG 16 HG2 ARG 16 20.725 -11.899 6.317 125 HG3 ARG 16 HG3 ARG 16 19.217 -11.144 5.798 126 HD2 ARG 16 HD2 ARG 16 18.869 -13.464 5.588 127 HD3 ARG 16 HD3 ARG 16 19.150 -12.876 3.950 128 HE ARG 16 HE ARG 16 21.064 -14.131 3.862 129 HH11 ARG 16 HH11 ARG 16 20.007 -13.880 7.170 130 HH12 ARG 16 HH12 ARG 16 21.158 -15.032 7.762 131 HH21 ARG 16 HH21 ARG 16 22.583 -15.650 4.630 132 HH22 ARG 16 HH22 ARG 16 22.623 -16.037 6.316 133 H GLU 17 H GLU 17 20.153 -7.887 4.131 134 HA GLU 17 HA GLU 17 17.788 -7.777 5.739 135 HB2 GLU 17 HB2 GLU 17 19.870 -5.779 4.912 136 HB3 GLU 17 HB3 GLU 17 18.402 -5.250 5.721 137 HG2 GLU 17 HG2 GLU 17 20.396 -7.228 6.803 138 HG3 GLU 17 HG3 GLU 17 20.235 -5.542 7.292 139 H LYS 18 H LYS 18 18.687 -6.718 2.513 140 HA LYS 18 HA LYS 18 16.422 -5.109 2.006 141 HB2 LYS 18 HB2 LYS 18 18.739 -5.631 0.674 142 HB3 LYS 18 HB3 LYS 18 17.588 -6.542 -0.293 143 HG2 LYS 18 HG2 LYS 18 16.936 -3.731 0.430 144 HG3 LYS 18 HG3 LYS 18 18.133 -4.036 -0.832 145 HD2 LYS 18 HD2 LYS 18 15.379 -5.261 -0.818 146 HD3 LYS 18 HD3 LYS 18 15.768 -3.748 -1.640 147 HE2 LYS 18 HE2 LYS 18 16.865 -4.790 -3.311 148 HE3 LYS 18 HE3 LYS 18 17.565 -5.999 -2.236 149 HZ1 LYS 18 HZ1 LYS 18 14.722 -6.022 -3.079 150 HZ2 LYS 18 HZ2 LYS 18 15.571 -7.251 -2.286 151 HZ3 LYS 18 HZ3 LYS 18 15.939 -6.871 -3.893 152 H LYS 19 H LYS 19 17.148 -8.412 0.862 153 HA LYS 19 HA LYS 19 14.654 -8.947 -0.250 154 HB2 LYS 19 HB2 LYS 19 16.823 -10.299 -0.424 155 HB3 LYS 19 HB3 LYS 19 16.350 -11.040 1.099 156 HG2 LYS 19 HG2 LYS 19 14.109 -11.502 -0.181 157 HG3 LYS 19 HG3 LYS 19 15.139 -11.317 -1.603 158 HD2 LYS 19 HD2 LYS 19 15.250 -13.598 -1.172 159 HD3 LYS 19 HD3 LYS 19 16.709 -12.978 -0.395 160 HE2 LYS 19 HE2 LYS 19 14.241 -13.101 1.243 161 HE3 LYS 19 HE3 LYS 19 15.010 -14.632 0.829 162 HZ1 LYS 19 HZ1 LYS 19 15.924 -12.518 2.595 163 HZ2 LYS 19 HZ2 LYS 19 17.117 -13.219 1.623 164 HZ3 LYS 19 HZ3 LYS 19 16.202 -14.186 2.666 165 H GLN 20 H GLN 20 15.855 -9.811 2.993 166 HA GLN 20 HA GLN 20 13.555 -11.024 3.958 167 HB2 GLN 20 HB2 GLN 20 15.782 -10.988 5.090 168 HB3 GLN 20 HB3 GLN 20 15.467 -9.324 5.565 169 HG2 GLN 20 HG2 GLN 20 15.012 -10.904 7.372 170 HG3 GLN 20 HG3 GLN 20 13.566 -10.021 6.882 171 HE21 GLN 20 HE21 GLN 20 15.297 -13.017 6.087 172 HE22 GLN 20 HE22 GLN 20 13.883 -14.001 5.961 173 H CYS 21 H CYS 21 14.483 -7.601 4.060 174 HA CYS 21 HA CYS 21 12.222 -6.709 5.494 175 HB2 CYS 21 HB2 CYS 21 14.143 -5.288 5.386 176 HB3 CYS 21 HB3 CYS 21 14.120 -5.286 3.626 177 H LYS 22 H LYS 22 12.892 -6.977 2.030 178 HA LYS 22 HA LYS 22 10.580 -5.727 1.074 179 HB2 LYS 22 HB2 LYS 22 12.351 -6.178 -0.455 180 HB3 LYS 22 HB3 LYS 22 12.318 -7.899 -0.092 181 HG2 LYS 22 HG2 LYS 22 11.336 -7.375 -2.277 182 HG3 LYS 22 HG3 LYS 22 10.176 -8.129 -1.181 183 HD2 LYS 22 HD2 LYS 22 8.840 -6.333 -1.194 184 HD3 LYS 22 HD3 LYS 22 10.195 -5.219 -1.002 185 HE2 LYS 22 HE2 LYS 22 9.153 -4.744 -3.096 186 HE3 LYS 22 HE3 LYS 22 10.694 -5.533 -3.429 187 HZ1 LYS 22 HZ1 LYS 22 9.579 -6.995 -4.638 188 HZ2 LYS 22 HZ2 LYS 22 8.090 -6.340 -4.175 189 HZ3 LYS 22 HZ3 LYS 22 8.810 -7.549 -3.236 190 H GLU 23 H GLU 23 11.185 -9.234 1.386 191 HA GLU 23 HA GLU 23 8.617 -10.096 0.784 192 HB2 GLU 23 HB2 GLU 23 10.782 -11.456 1.136 193 HB3 GLU 23 HB3 GLU 23 10.328 -11.479 2.834 194 HG2 GLU 23 HG2 GLU 23 8.492 -12.815 2.468 195 HG3 GLU 23 HG3 GLU 23 8.354 -12.343 0.775 196 H GLY 24 H GLY 24 9.958 -8.950 3.827 197 HA2 GLY 24 HA2 GLY 24 7.705 -9.704 5.420 198 HA3 GLY 24 HA3 GLY 24 8.991 -8.602 5.891 199 H CYS 25 H CYS 25 8.593 -6.825 3.617 200 HA CYS 25 HA CYS 25 6.703 -5.073 4.766 201 HB2 CYS 25 HB2 CYS 25 8.311 -5.105 2.249 202 HB3 CYS 25 HB3 CYS 25 6.985 -3.955 2.382 203 H ARG 26 H ARG 26 6.579 -7.096 1.848 204 HA ARG 26 HA ARG 26 3.890 -6.346 1.216 205 HB2 ARG 26 HB2 ARG 26 4.030 -8.154 -0.467 206 HB3 ARG 26 HB3 ARG 26 5.390 -7.042 -0.554 207 HG2 ARG 26 HG2 ARG 26 6.564 -8.959 -0.678 208 HG3 ARG 26 HG3 ARG 26 6.438 -8.884 1.080 209 HD2 ARG 26 HD2 ARG 26 5.867 -11.106 0.266 210 HD3 ARG 26 HD3 ARG 26 4.465 -10.328 0.999 211 HE ARG 26 HE ARG 26 3.426 -10.331 -1.048 212 HH11 ARG 26 HH11 ARG 26 6.802 -11.078 -1.454 213 HH12 ARG 26 HH12 ARG 26 6.638 -11.521 -3.121 214 HH21 ARG 26 HH21 ARG 26 3.197 -10.910 -3.242 215 HH22 ARG 26 HH22 ARG 26 4.587 -11.424 -4.138 216 H TYR 27 H TYR 27 2.148 -8.017 0.994 217 HA TYR 27 HA TYR 27 1.950 -9.490 3.503 218 HB2 TYR 27 HB2 TYR 27 -0.083 -8.742 1.401 219 HB3 TYR 27 HB3 TYR 27 -0.460 -9.780 2.771 220 HD1 TYR 27 HD1 TYR 27 0.804 -6.391 1.903 221 HD2 TYR 27 HD2 TYR 27 -1.070 -8.848 4.828 222 HE1 TYR 27 HE1 TYR 27 0.354 -4.402 3.277 223 HE2 TYR 27 HE2 TYR 27 -1.526 -6.865 6.210 224 HH TYR 27 HH TYR 27 -1.772 -4.116 5.460 225 H GLY 28 H GLY 28 3.133 -11.347 3.218 226 HA2 GLY 28 HA2 GLY 28 2.019 -13.244 1.257 227 HA3 GLY 28 HA3 GLY 28 3.759 -13.035 1.390 Start of MODEL 5 1 H ALA 1 H ALA 1 6.671 7.161 -8.801 2 HA ALA 1 HA ALA 1 5.113 5.637 -7.977 3 HB1 ALA 1 HB1 ALA 1 4.639 5.716 -10.301 4 HB2 ALA 1 HB2 ALA 1 5.971 4.622 -10.677 5 HB3 ALA 1 HB3 ALA 1 4.552 4.021 -9.819 6 H ASP 2 H ASP 2 7.180 5.037 -6.465 7 HA ASP 2 HA ASP 2 7.584 2.131 -6.720 8 HB2 ASP 2 HB2 ASP 2 9.560 3.880 -6.611 9 HB3 ASP 2 HB3 ASP 2 9.239 3.808 -4.880 10 H ASP 3 H ASP 3 7.520 0.855 -4.778 11 HA ASP 3 HA ASP 3 5.337 1.581 -3.077 12 HB2 ASP 3 HB2 ASP 3 5.892 -0.764 -3.871 13 HB3 ASP 3 HB3 ASP 3 7.213 -0.755 -2.705 14 H ARG 4 H ARG 4 5.433 2.721 -1.267 15 HA ARG 4 HA ARG 4 7.747 3.819 -0.199 16 HB2 ARG 4 HB2 ARG 4 4.961 3.449 0.817 17 HB3 ARG 4 HB3 ARG 4 6.200 4.008 1.933 18 HG2 ARG 4 HG2 ARG 4 5.346 5.992 1.173 19 HG3 ARG 4 HG3 ARG 4 6.698 5.755 0.064 20 HD2 ARG 4 HD2 ARG 4 5.230 4.916 -1.639 21 HD3 ARG 4 HD3 ARG 4 3.863 4.920 -0.525 22 HE ARG 4 HE ARG 4 4.711 7.514 -0.574 23 HH11 ARG 4 HH11 ARG 4 3.703 5.207 -2.979 24 HH12 ARG 4 HH12 ARG 4 3.063 6.408 -4.051 25 HH21 ARG 4 HH21 ARG 4 3.871 9.104 -1.977 26 HH22 ARG 4 HH22 ARG 4 3.159 8.624 -3.480 27 H CYS 5 H CYS 5 6.101 0.816 0.594 28 HA CYS 5 HA CYS 5 7.481 0.210 2.966 29 HB2 CYS 5 HB2 CYS 5 5.397 -0.922 1.983 30 HB3 CYS 5 HB3 CYS 5 6.517 -1.863 1.003 31 H TYR 6 H TYR 6 8.007 -1.216 -0.264 32 HA TYR 6 HA TYR 6 10.396 -2.502 0.313 33 HB2 TYR 6 HB2 TYR 6 9.293 -3.056 -1.714 34 HB3 TYR 6 HB3 TYR 6 9.307 -1.385 -2.267 35 HD1 TYR 6 HD1 TYR 6 11.996 -3.622 -0.947 36 HD2 TYR 6 HD2 TYR 6 10.595 -1.233 -4.177 37 HE1 TYR 6 HE1 TYR 6 14.091 -4.049 -2.163 38 HE2 TYR 6 HE2 TYR 6 12.686 -1.654 -5.402 39 HH TYR 6 HH TYR 6 14.597 -2.803 -5.443 40 H ARG 7 H ARG 7 9.799 0.831 -0.621 41 HA ARG 7 HA ARG 7 12.370 1.645 -1.272 42 HB2 ARG 7 HB2 ARG 7 9.982 3.032 -0.127 43 HB3 ARG 7 HB3 ARG 7 11.513 3.894 -0.195 44 HG2 ARG 7 HG2 ARG 7 11.605 3.721 -2.560 45 HG3 ARG 7 HG3 ARG 7 10.253 2.587 -2.590 46 HD2 ARG 7 HD2 ARG 7 9.640 4.903 -3.256 47 HD3 ARG 7 HD3 ARG 7 8.728 4.291 -1.876 48 HE ARG 7 HE ARG 7 10.868 5.641 -0.804 49 HH11 ARG 7 HH11 ARG 7 8.208 6.411 -2.913 50 HH12 ARG 7 HH12 ARG 7 8.115 8.065 -2.407 51 HH21 ARG 7 HH21 ARG 7 10.756 7.817 -0.129 52 HH22 ARG 7 HH22 ARG 7 9.565 8.864 -0.824 53 H MET 8 H MET 8 10.882 1.188 1.881 54 HA MET 8 HA MET 8 12.899 2.420 3.423 55 HB2 MET 8 HB2 MET 8 10.872 0.286 4.084 56 HB3 MET 8 HB3 MET 8 11.965 0.967 5.281 57 HG2 MET 8 HG2 MET 8 10.261 2.782 3.644 58 HG3 MET 8 HG3 MET 8 9.556 1.908 5.001 59 HE1 MET 8 HE1 MET 8 9.304 2.598 6.931 60 HE2 MET 8 HE2 MET 8 10.773 2.663 7.906 61 HE3 MET 8 HE3 MET 8 9.827 4.128 7.636 62 H CYS 9 H CYS 9 12.570 -0.781 2.049 63 HA CYS 9 HA CYS 9 14.579 -2.072 3.550 64 HB2 CYS 9 HB2 CYS 9 13.800 -2.707 0.701 65 HB3 CYS 9 HB3 CYS 9 14.492 -3.804 1.892 66 H GLN 10 H GLN 10 14.674 -0.070 0.675 67 HA GLN 10 HA GLN 10 17.211 -0.646 -0.281 68 HB2 GLN 10 HB2 GLN 10 15.849 2.052 -0.217 69 HB3 GLN 10 HB3 GLN 10 17.190 1.603 -1.262 70 HG2 GLN 10 HG2 GLN 10 14.706 -0.027 -1.357 71 HG3 GLN 10 HG3 GLN 10 14.710 1.563 -2.118 72 HE21 GLN 10 HE21 GLN 10 14.261 -0.308 -3.824 73 HE22 GLN 10 HE22 GLN 10 15.651 -0.731 -4.759 74 H ARG 11 H ARG 11 16.253 1.106 2.553 75 HA ARG 11 HA ARG 11 18.612 2.579 2.998 76 HB2 ARG 11 HB2 ARG 11 16.646 3.156 4.228 77 HB3 ARG 11 HB3 ARG 11 16.505 1.530 4.884 78 HG2 ARG 11 HG2 ARG 11 18.242 1.845 6.385 79 HG3 ARG 11 HG3 ARG 11 18.914 3.198 5.472 80 HD2 ARG 11 HD2 ARG 11 16.587 4.295 6.037 81 HD3 ARG 11 HD3 ARG 11 16.611 3.129 7.360 82 HE ARG 11 HE ARG 11 19.069 4.446 7.336 83 HH11 ARG 11 HH11 ARG 11 15.708 5.163 7.894 84 HH12 ARG 11 HH12 ARG 11 16.033 6.460 8.996 85 HH21 ARG 11 HH21 ARG 11 19.509 6.150 8.786 86 HH22 ARG 11 HH22 ARG 11 18.196 7.021 9.503 87 H TYR 12 H TYR 12 17.831 -0.761 3.450 88 HA TYR 12 HA TYR 12 20.055 -1.278 5.227 89 HB2 TYR 12 HB2 TYR 12 18.347 -3.302 3.775 90 HB3 TYR 12 HB3 TYR 12 19.327 -3.563 5.213 91 HD1 TYR 12 HD1 TYR 12 18.547 -1.116 6.768 92 HD2 TYR 12 HD2 TYR 12 16.205 -3.889 4.547 93 HE1 TYR 12 HE1 TYR 12 16.605 -0.604 8.187 94 HE2 TYR 12 HE2 TYR 12 14.257 -3.384 5.960 95 HH TYR 12 HH TYR 12 13.652 -2.449 7.996 96 H HIS 13 H HIS 13 22.069 -1.612 4.586 97 HA HIS 13 HA HIS 13 22.745 -1.778 1.809 98 HB2 HIS 13 HB2 HIS 13 24.294 -1.745 4.374 99 HB3 HIS 13 HB3 HIS 13 25.101 -2.208 2.878 100 HD1 HIS 13 HD1 HIS 13 24.087 0.697 4.824 101 HD2 HIS 13 HD2 HIS 13 25.011 -0.101 0.853 102 HE1 HIS 13 HE1 HIS 13 24.532 2.938 3.773 103 H ASP 14 H ASP 14 22.264 -4.049 4.380 104 HA ASP 14 HA ASP 14 23.689 -6.219 3.181 105 HB2 ASP 14 HB2 ASP 14 22.272 -5.730 5.626 106 HB3 ASP 14 HB3 ASP 14 21.688 -7.231 4.912 107 H ARG 15 H ARG 15 23.089 -7.190 1.369 108 HA ARG 15 HA ARG 15 20.699 -6.885 0.026 109 HB2 ARG 15 HB2 ARG 15 21.334 -8.858 -1.281 110 HB3 ARG 15 HB3 ARG 15 22.713 -7.800 -1.017 111 HG2 ARG 15 HG2 ARG 15 23.472 -9.273 0.798 112 HG3 ARG 15 HG3 ARG 15 22.113 -10.349 0.468 113 HD2 ARG 15 HD2 ARG 15 23.143 -10.191 -1.995 114 HD3 ARG 15 HD3 ARG 15 24.610 -9.909 -1.060 115 HE ARG 15 HE ARG 15 24.607 -12.117 -0.494 116 HH11 ARG 15 HH11 ARG 15 21.404 -11.229 -1.529 117 HH12 ARG 15 HH12 ARG 15 20.790 -12.848 -1.456 118 HH21 ARG 15 HH21 ARG 15 23.811 -14.252 -0.394 119 HH22 ARG 15 HH22 ARG 15 22.160 -14.567 -0.809 120 H ARG 16 H ARG 16 21.546 -9.181 2.537 121 HA ARG 16 HA ARG 16 19.342 -10.915 2.242 122 HB2 ARG 16 HB2 ARG 16 21.182 -10.278 4.534 123 HB3 ARG 16 HB3 ARG 16 19.834 -11.390 4.733 124 HG2 ARG 16 HG2 ARG 16 20.734 -12.921 3.186 125 HG3 ARG 16 HG3 ARG 16 21.905 -11.743 2.589 126 HD2 ARG 16 HD2 ARG 16 21.886 -12.755 5.424 127 HD3 ARG 16 HD3 ARG 16 22.809 -13.527 4.135 128 HE ARG 16 HE ARG 16 23.496 -10.844 4.110 129 HH11 ARG 16 HH11 ARG 16 23.707 -13.536 6.307 130 HH12 ARG 16 HH12 ARG 16 25.140 -12.954 7.089 131 HH21 ARG 16 HH21 ARG 16 25.382 -10.068 5.131 132 HH22 ARG 16 HH22 ARG 16 26.091 -10.981 6.419 133 H GLU 17 H GLU 17 19.778 -7.891 3.980 134 HA GLU 17 HA GLU 17 17.319 -8.034 5.419 135 HB2 GLU 17 HB2 GLU 17 19.411 -5.973 4.946 136 HB3 GLU 17 HB3 GLU 17 17.825 -5.411 5.455 137 HG2 GLU 17 HG2 GLU 17 19.363 -7.525 6.933 138 HG3 GLU 17 HG3 GLU 17 19.502 -5.804 7.286 139 H LYS 18 H LYS 18 18.309 -6.712 2.323 140 HA LYS 18 HA LYS 18 15.986 -5.195 1.799 141 HB2 LYS 18 HB2 LYS 18 18.331 -6.122 0.300 142 HB3 LYS 18 HB3 LYS 18 16.883 -5.961 -0.685 143 HG2 LYS 18 HG2 LYS 18 17.652 -3.734 1.137 144 HG3 LYS 18 HG3 LYS 18 18.524 -3.953 -0.382 145 HD2 LYS 18 HD2 LYS 18 15.553 -4.006 -0.462 146 HD3 LYS 18 HD3 LYS 18 16.345 -2.448 -0.214 147 HE2 LYS 18 HE2 LYS 18 16.893 -4.357 -2.485 148 HE3 LYS 18 HE3 LYS 18 15.909 -2.898 -2.589 149 HZ1 LYS 18 HZ1 LYS 18 18.679 -3.139 -2.879 150 HZ2 LYS 18 HZ2 LYS 18 18.393 -2.215 -1.491 151 HZ3 LYS 18 HZ3 LYS 18 17.736 -1.737 -2.976 152 H LYS 19 H LYS 19 16.888 -8.524 0.974 153 HA LYS 19 HA LYS 19 14.578 -9.130 -0.521 154 HB2 LYS 19 HB2 LYS 19 16.588 -10.502 -0.646 155 HB3 LYS 19 HB3 LYS 19 16.414 -10.952 1.045 156 HG2 LYS 19 HG2 LYS 19 15.680 -12.734 -0.451 157 HG3 LYS 19 HG3 LYS 19 14.353 -12.131 0.546 158 HD2 LYS 19 HD2 LYS 19 13.599 -10.738 -1.341 159 HD3 LYS 19 HD3 LYS 19 14.901 -11.401 -2.332 160 HE2 LYS 19 HE2 LYS 19 13.052 -13.302 -0.988 161 HE3 LYS 19 HE3 LYS 19 12.449 -12.404 -2.380 162 HZ1 LYS 19 HZ1 LYS 19 15.050 -13.735 -2.603 163 HZ2 LYS 19 HZ2 LYS 19 13.882 -13.447 -3.792 164 HZ3 LYS 19 HZ3 LYS 19 13.656 -14.692 -2.669 165 H GLN 20 H GLN 20 15.398 -10.031 2.834 166 HA GLN 20 HA GLN 20 12.964 -11.171 3.517 167 HB2 GLN 20 HB2 GLN 20 15.012 -9.721 5.185 168 HB3 GLN 20 HB3 GLN 20 13.597 -10.490 5.891 169 HG2 GLN 20 HG2 GLN 20 14.397 -12.601 4.657 170 HG3 GLN 20 HG3 GLN 20 15.934 -11.749 4.515 171 HE21 GLN 20 HE21 GLN 20 16.014 -14.036 5.829 172 HE22 GLN 20 HE22 GLN 20 16.151 -13.792 7.534 173 H CYS 21 H CYS 21 14.008 -7.792 3.825 174 HA CYS 21 HA CYS 21 11.631 -6.848 5.022 175 HB2 CYS 21 HB2 CYS 21 13.604 -5.508 5.191 176 HB3 CYS 21 HB3 CYS 21 13.791 -5.452 3.441 177 H LYS 22 H LYS 22 12.663 -7.148 1.663 178 HA LYS 22 HA LYS 22 10.504 -5.746 0.504 179 HB2 LYS 22 HB2 LYS 22 12.421 -6.115 -0.845 180 HB3 LYS 22 HB3 LYS 22 12.385 -7.850 -0.555 181 HG2 LYS 22 HG2 LYS 22 10.818 -8.224 -2.140 182 HG3 LYS 22 HG3 LYS 22 10.009 -6.679 -1.864 183 HD2 LYS 22 HD2 LYS 22 11.842 -5.526 -3.021 184 HD3 LYS 22 HD3 LYS 22 12.627 -7.079 -3.313 185 HE2 LYS 22 HE2 LYS 22 10.198 -7.601 -4.329 186 HE3 LYS 22 HE3 LYS 22 10.266 -5.863 -4.613 187 HZ1 LYS 22 HZ1 LYS 22 11.146 -7.352 -6.436 188 HZ2 LYS 22 HZ2 LYS 22 12.462 -7.672 -5.423 189 HZ3 LYS 22 HZ3 LYS 22 12.162 -6.091 -5.944 190 H GLU 23 H GLU 23 11.035 -9.253 0.205 191 HA GLU 23 HA GLU 23 8.421 -9.900 -0.465 192 HB2 GLU 23 HB2 GLU 23 10.598 -11.335 -0.486 193 HB3 GLU 23 HB3 GLU 23 10.110 -11.788 1.141 194 HG2 GLU 23 HG2 GLU 23 8.260 -12.939 0.417 195 HG3 GLU 23 HG3 GLU 23 8.150 -12.028 -1.088 196 H GLY 24 H GLY 24 9.954 -9.776 2.729 197 HA2 GLY 24 HA2 GLY 24 7.939 -10.839 4.291 198 HA3 GLY 24 HA3 GLY 24 9.035 -9.573 4.824 199 H CYS 25 H CYS 25 8.127 -7.644 2.846 200 HA CYS 25 HA CYS 25 5.995 -6.499 4.331 201 HB2 CYS 25 HB2 CYS 25 7.641 -5.104 3.188 202 HB3 CYS 25 HB3 CYS 25 7.129 -5.743 1.630 203 H ARG 26 H ARG 26 6.179 -8.294 1.315 204 HA ARG 26 HA ARG 26 3.541 -7.805 0.436 205 HB2 ARG 26 HB2 ARG 26 5.177 -10.280 -0.124 206 HB3 ARG 26 HB3 ARG 26 3.883 -9.608 -1.108 207 HG2 ARG 26 HG2 ARG 26 6.551 -8.308 -0.599 208 HG3 ARG 26 HG3 ARG 26 6.082 -9.166 -2.068 209 HD2 ARG 26 HD2 ARG 26 4.082 -7.465 -2.038 210 HD3 ARG 26 HD3 ARG 26 5.184 -6.515 -1.042 211 HE ARG 26 HE ARG 26 6.360 -6.016 -2.928 212 HH11 ARG 26 HH11 ARG 26 4.498 -8.899 -3.515 213 HH12 ARG 26 HH12 ARG 26 4.938 -8.999 -5.188 214 HH21 ARG 26 HH21 ARG 26 6.945 -6.137 -5.129 215 HH22 ARG 26 HH22 ARG 26 6.330 -7.428 -6.104 216 H TYR 27 H TYR 27 4.909 -10.711 1.993 217 HA TYR 27 HA TYR 27 2.252 -11.694 2.591 218 HB2 TYR 27 HB2 TYR 27 5.030 -12.777 3.000 219 HB3 TYR 27 HB3 TYR 27 3.631 -13.549 3.738 220 HD1 TYR 27 HD1 TYR 27 1.731 -14.286 2.176 221 HD2 TYR 27 HD2 TYR 27 5.627 -13.275 0.797 222 HE1 TYR 27 HE1 TYR 27 1.307 -15.521 0.091 223 HE2 TYR 27 HE2 TYR 27 5.214 -14.506 -1.291 224 HH TYR 27 HH TYR 27 3.655 -16.475 -1.989 225 H GLY 28 H GLY 28 5.135 -11.388 4.670 226 HA2 GLY 28 HA2 GLY 28 3.822 -11.395 7.101 227 HA3 GLY 28 HA3 GLY 28 5.371 -10.616 6.820 Start of MODEL 6 1 H ALA 1 H ALA 1 0.518 -4.367 -3.578 2 HA ALA 1 HA ALA 1 3.419 -4.693 -3.635 3 HB1 ALA 1 HB1 ALA 1 3.012 -2.999 -5.772 4 HB2 ALA 1 HB2 ALA 1 3.475 -4.698 -5.864 5 HB3 ALA 1 HB3 ALA 1 1.777 -4.239 -5.989 6 H ASP 2 H ASP 2 4.396 -3.082 -2.592 7 HA ASP 2 HA ASP 2 3.085 -0.463 -2.442 8 HB2 ASP 2 HB2 ASP 2 3.971 -0.480 0.035 9 HB3 ASP 2 HB3 ASP 2 2.415 -1.205 -0.360 10 H ASP 3 H ASP 3 4.504 0.805 -3.453 11 HA ASP 3 HA ASP 3 7.283 0.329 -3.595 12 HB2 ASP 3 HB2 ASP 3 6.108 1.642 -5.290 13 HB3 ASP 3 HB3 ASP 3 5.731 2.878 -4.093 14 H ARG 4 H ARG 4 5.332 2.474 -1.565 15 HA ARG 4 HA ARG 4 7.378 3.880 -0.313 16 HB2 ARG 4 HB2 ARG 4 5.756 4.180 1.562 17 HB3 ARG 4 HB3 ARG 4 5.094 4.560 -0.022 18 HG2 ARG 4 HG2 ARG 4 4.111 2.241 -0.041 19 HG3 ARG 4 HG3 ARG 4 4.581 2.122 1.655 20 HD2 ARG 4 HD2 ARG 4 2.700 4.131 0.426 21 HD3 ARG 4 HD3 ARG 4 2.277 2.810 1.515 22 HE ARG 4 HE ARG 4 4.079 4.299 2.921 23 HH11 ARG 4 HH11 ARG 4 1.057 4.962 1.324 24 HH12 ARG 4 HH12 ARG 4 0.615 6.240 2.407 25 HH21 ARG 4 HH21 ARG 4 3.508 5.979 4.354 26 HH22 ARG 4 HH22 ARG 4 2.010 6.818 4.130 27 H CYS 5 H CYS 5 5.942 0.752 0.521 28 HA CYS 5 HA CYS 5 7.365 0.361 2.924 29 HB2 CYS 5 HB2 CYS 5 5.321 -0.913 2.137 30 HB3 CYS 5 HB3 CYS 5 6.393 -1.817 1.072 31 H TYR 6 H TYR 6 7.920 -1.125 -0.274 32 HA TYR 6 HA TYR 6 10.333 -2.359 0.317 33 HB2 TYR 6 HB2 TYR 6 9.255 -2.945 -1.713 34 HB3 TYR 6 HB3 TYR 6 9.225 -1.276 -2.270 35 HD1 TYR 6 HD1 TYR 6 10.501 -1.117 -4.190 36 HD2 TYR 6 HD2 TYR 6 11.981 -3.416 -0.930 37 HE1 TYR 6 HE1 TYR 6 12.604 -1.484 -5.411 38 HE2 TYR 6 HE2 TYR 6 14.088 -3.788 -2.141 39 HH TYR 6 HH TYR 6 14.473 -3.356 -5.336 40 H ARG 7 H ARG 7 9.669 0.959 -0.617 41 HA ARG 7 HA ARG 7 12.220 1.829 -1.271 42 HB2 ARG 7 HB2 ARG 7 9.811 3.167 -0.107 43 HB3 ARG 7 HB3 ARG 7 11.325 4.058 -0.195 44 HG2 ARG 7 HG2 ARG 7 10.405 2.676 -2.650 45 HG3 ARG 7 HG3 ARG 7 9.528 4.120 -2.137 46 HD2 ARG 7 HD2 ARG 7 11.410 5.482 -2.347 47 HD3 ARG 7 HD3 ARG 7 12.519 4.112 -2.315 48 HE ARG 7 HE ARG 7 10.740 4.135 -4.578 49 HH11 ARG 7 HH11 ARG 7 13.794 5.218 -3.306 50 HH12 ARG 7 HH12 ARG 7 14.517 5.431 -4.866 51 HH21 ARG 7 HH21 ARG 7 11.681 4.410 -6.638 52 HH22 ARG 7 HH22 ARG 7 13.314 4.971 -6.761 53 H MET 8 H MET 8 10.748 1.340 1.886 54 HA MET 8 HA MET 8 12.747 2.606 3.423 55 HB2 MET 8 HB2 MET 8 10.829 0.383 4.138 56 HB3 MET 8 HB3 MET 8 11.834 1.236 5.302 57 HG2 MET 8 HG2 MET 8 10.018 2.790 3.526 58 HG3 MET 8 HG3 MET 8 9.354 1.936 4.917 59 HE1 MET 8 HE1 MET 8 8.778 3.153 6.766 60 HE2 MET 8 HE2 MET 8 9.428 4.699 7.309 61 HE3 MET 8 HE3 MET 8 8.542 4.601 5.787 62 H CYS 9 H CYS 9 12.471 -0.599 2.048 63 HA CYS 9 HA CYS 9 14.502 -1.859 3.543 64 HB2 CYS 9 HB2 CYS 9 13.727 -2.494 0.693 65 HB3 CYS 9 HB3 CYS 9 14.451 -3.584 1.871 66 H GLN 10 H GLN 10 14.579 0.299 0.822 67 HA GLN 10 HA GLN 10 17.065 -0.246 -0.272 68 HB2 GLN 10 HB2 GLN 10 15.783 2.467 0.099 69 HB3 GLN 10 HB3 GLN 10 17.079 2.090 -1.029 70 HG2 GLN 10 HG2 GLN 10 14.540 0.549 -1.193 71 HG3 GLN 10 HG3 GLN 10 14.585 2.198 -1.814 72 HE21 GLN 10 HE21 GLN 10 15.254 -1.036 -2.448 73 HE22 GLN 10 HE22 GLN 10 16.125 -0.829 -3.926 74 H ARG 11 H ARG 11 16.256 1.252 2.748 75 HA ARG 11 HA ARG 11 18.672 2.610 3.246 76 HB2 ARG 11 HB2 ARG 11 17.924 2.860 5.455 77 HB3 ARG 11 HB3 ARG 11 16.445 2.776 4.507 78 HG2 ARG 11 HG2 ARG 11 16.423 0.291 5.071 79 HG3 ARG 11 HG3 ARG 11 17.649 0.681 6.280 80 HD2 ARG 11 HD2 ARG 11 15.874 2.560 6.900 81 HD3 ARG 11 HD3 ARG 11 14.767 1.386 6.189 82 HE ARG 11 HE ARG 11 16.288 -0.063 7.938 83 HH11 ARG 11 HH11 ARG 11 14.256 2.754 8.169 84 HH12 ARG 11 HH12 ARG 11 13.792 2.446 9.810 85 HH21 ARG 11 HH21 ARG 11 15.686 -0.479 10.098 86 HH22 ARG 11 HH22 ARG 11 14.607 0.607 10.907 87 H TYR 12 H TYR 12 17.790 -0.736 3.439 88 HA TYR 12 HA TYR 12 20.069 -1.474 5.058 89 HB2 TYR 12 HB2 TYR 12 17.958 -3.095 3.633 90 HB3 TYR 12 HB3 TYR 12 19.280 -3.821 4.540 91 HD1 TYR 12 HD1 TYR 12 15.952 -2.746 4.721 92 HD2 TYR 12 HD2 TYR 12 19.530 -2.900 7.017 93 HE1 TYR 12 HE1 TYR 12 14.628 -2.560 6.785 94 HE2 TYR 12 HE2 TYR 12 18.217 -2.715 9.088 95 HH TYR 12 HH TYR 12 14.723 -2.206 9.008 96 H HIS 13 H HIS 13 21.992 -2.201 4.362 97 HA HIS 13 HA HIS 13 22.498 -2.136 1.489 98 HB2 HIS 13 HB2 HIS 13 24.306 -2.157 3.902 99 HB3 HIS 13 HB3 HIS 13 24.922 -2.352 2.264 100 HD1 HIS 13 HD1 HIS 13 26.241 -0.088 2.793 101 HD2 HIS 13 HD2 HIS 13 22.110 0.240 2.494 102 HE1 HIS 13 HE1 HIS 13 25.781 2.366 2.494 103 H ASP 14 H ASP 14 22.332 -4.366 4.147 104 HA ASP 14 HA ASP 14 23.706 -6.513 2.853 105 HB2 ASP 14 HB2 ASP 14 22.558 -6.011 5.422 106 HB3 ASP 14 HB3 ASP 14 21.908 -7.528 4.807 107 H ARG 15 H ARG 15 22.973 -7.700 1.230 108 HA ARG 15 HA ARG 15 20.505 -7.460 0.023 109 HB2 ARG 15 HB2 ARG 15 22.748 -8.725 -0.656 110 HB3 ARG 15 HB3 ARG 15 21.841 -10.119 -0.085 111 HG2 ARG 15 HG2 ARG 15 20.006 -9.466 -1.649 112 HG3 ARG 15 HG3 ARG 15 21.088 -8.234 -2.304 113 HD2 ARG 15 HD2 ARG 15 21.980 -11.083 -2.132 114 HD3 ARG 15 HD3 ARG 15 20.932 -10.564 -3.451 115 HE ARG 15 HE ARG 15 22.945 -8.741 -3.467 116 HH11 ARG 15 HH11 ARG 15 22.821 -12.219 -3.572 117 HH12 ARG 15 HH12 ARG 15 24.271 -12.373 -4.507 118 HH21 ARG 15 HH21 ARG 15 24.857 -8.931 -4.698 119 HH22 ARG 15 HH22 ARG 15 25.429 -10.502 -5.146 120 H ARG 16 H ARG 16 21.481 -9.556 2.661 121 HA ARG 16 HA ARG 16 19.230 -11.254 2.664 122 HB2 ARG 16 HB2 ARG 16 21.028 -10.434 4.952 123 HB3 ARG 16 HB3 ARG 16 19.885 -11.770 4.994 124 HG2 ARG 16 HG2 ARG 16 21.185 -12.659 2.955 125 HG3 ARG 16 HG3 ARG 16 22.441 -11.526 3.462 126 HD2 ARG 16 HD2 ARG 16 22.203 -12.603 5.776 127 HD3 ARG 16 HD3 ARG 16 21.331 -13.888 4.943 128 HE ARG 16 HE ARG 16 23.335 -14.680 4.208 129 HH11 ARG 16 HH11 ARG 16 23.716 -11.324 5.049 130 HH12 ARG 16 HH12 ARG 16 25.426 -11.313 4.770 131 HH21 ARG 16 HH21 ARG 16 25.585 -14.680 3.837 132 HH22 ARG 16 HH22 ARG 16 26.488 -13.223 4.080 133 H GLU 17 H GLU 17 19.886 -8.170 4.258 134 HA GLU 17 HA GLU 17 17.426 -8.150 5.722 135 HB2 GLU 17 HB2 GLU 17 19.633 -6.194 5.233 136 HB3 GLU 17 HB3 GLU 17 18.101 -5.603 5.862 137 HG2 GLU 17 HG2 GLU 17 19.446 -7.916 7.179 138 HG3 GLU 17 HG3 GLU 17 20.012 -6.275 7.487 139 H LYS 18 H LYS 18 18.535 -6.859 2.650 140 HA LYS 18 HA LYS 18 16.331 -5.171 2.136 141 HB2 LYS 18 HB2 LYS 18 18.722 -5.698 0.892 142 HB3 LYS 18 HB3 LYS 18 17.563 -6.414 -0.220 143 HG2 LYS 18 HG2 LYS 18 16.955 -3.694 0.764 144 HG3 LYS 18 HG3 LYS 18 18.317 -3.862 -0.347 145 HD2 LYS 18 HD2 LYS 18 15.592 -5.018 -0.901 146 HD3 LYS 18 HD3 LYS 18 16.071 -3.398 -1.410 147 HE2 LYS 18 HE2 LYS 18 17.428 -5.980 -2.182 148 HE3 LYS 18 HE3 LYS 18 16.370 -5.017 -3.212 149 HZ1 LYS 18 HZ1 LYS 18 18.253 -4.061 -3.886 150 HZ2 LYS 18 HZ2 LYS 18 19.147 -4.632 -2.569 151 HZ3 LYS 18 HZ3 LYS 18 18.224 -3.223 -2.416 152 H LYS 19 H LYS 19 17.070 -8.414 0.840 153 HA LYS 19 HA LYS 19 14.681 -8.829 -0.510 154 HB2 LYS 19 HB2 LYS 19 16.724 -10.264 -0.654 155 HB3 LYS 19 HB3 LYS 19 16.306 -10.945 0.912 156 HG2 LYS 19 HG2 LYS 19 15.625 -12.408 -0.911 157 HG3 LYS 19 HG3 LYS 19 14.229 -11.820 -0.003 158 HD2 LYS 19 HD2 LYS 19 13.584 -10.363 -1.712 159 HD3 LYS 19 HD3 LYS 19 15.172 -10.415 -2.481 160 HE2 LYS 19 HE2 LYS 19 13.377 -12.821 -2.280 161 HE3 LYS 19 HE3 LYS 19 13.311 -11.694 -3.634 162 HZ1 LYS 19 HZ1 LYS 19 14.733 -13.407 -4.309 163 HZ2 LYS 19 HZ2 LYS 19 15.550 -13.451 -2.829 164 HZ3 LYS 19 HZ3 LYS 19 15.773 -12.144 -3.878 165 H GLN 20 H GLN 20 15.523 -9.813 2.809 166 HA GLN 20 HA GLN 20 13.113 -10.999 3.501 167 HB2 GLN 20 HB2 GLN 20 15.140 -11.113 4.887 168 HB3 GLN 20 HB3 GLN 20 14.968 -9.408 5.282 169 HG2 GLN 20 HG2 GLN 20 12.703 -10.012 6.249 170 HG3 GLN 20 HG3 GLN 20 13.212 -11.694 6.110 171 HE21 GLN 20 HE21 GLN 20 12.850 -9.393 8.275 172 HE22 GLN 20 HE22 GLN 20 14.159 -9.729 9.352 173 H CYS 21 H CYS 21 14.091 -7.600 3.797 174 HA CYS 21 HA CYS 21 11.700 -6.701 5.002 175 HB2 CYS 21 HB2 CYS 21 13.659 -5.330 5.159 176 HB3 CYS 21 HB3 CYS 21 13.820 -5.258 3.408 177 H LYS 22 H LYS 22 12.732 -6.975 1.640 178 HA LYS 22 HA LYS 22 10.540 -5.621 0.489 179 HB2 LYS 22 HB2 LYS 22 12.471 -5.946 -0.858 180 HB3 LYS 22 HB3 LYS 22 12.458 -7.684 -0.584 181 HG2 LYS 22 HG2 LYS 22 10.919 -8.063 -2.188 182 HG3 LYS 22 HG3 LYS 22 10.057 -6.555 -1.872 183 HD2 LYS 22 HD2 LYS 22 12.423 -5.630 -2.846 184 HD3 LYS 22 HD3 LYS 22 12.236 -7.131 -3.756 185 HE2 LYS 22 HE2 LYS 22 9.964 -5.195 -3.508 186 HE3 LYS 22 HE3 LYS 22 11.230 -4.945 -4.708 187 HZ1 LYS 22 HZ1 LYS 22 10.441 -6.580 -5.981 188 HZ2 LYS 22 HZ2 LYS 22 9.022 -6.453 -5.071 189 HZ3 LYS 22 HZ3 LYS 22 10.178 -7.623 -4.675 190 H GLU 23 H GLU 23 11.149 -9.111 0.162 191 HA GLU 23 HA GLU 23 8.547 -9.813 -0.493 192 HB2 GLU 23 HB2 GLU 23 10.646 -11.234 -0.666 193 HB3 GLU 23 HB3 GLU 23 10.435 -11.595 1.041 194 HG2 GLU 23 HG2 GLU 23 8.652 -12.947 0.683 195 HG3 GLU 23 HG3 GLU 23 8.107 -12.042 -0.728 196 H GLY 24 H GLY 24 10.101 -9.685 2.690 197 HA2 GLY 24 HA2 GLY 24 8.124 -10.807 4.258 198 HA3 GLY 24 HA3 GLY 24 9.193 -9.520 4.794 199 H CYS 25 H CYS 25 8.226 -7.593 2.845 200 HA CYS 25 HA CYS 25 6.004 -6.594 4.346 201 HB2 CYS 25 HB2 CYS 25 7.667 -5.058 3.448 202 HB3 CYS 25 HB3 CYS 25 7.302 -5.583 1.808 203 H ARG 26 H ARG 26 6.436 -8.115 1.207 204 HA ARG 26 HA ARG 26 3.834 -7.620 0.216 205 HB2 ARG 26 HB2 ARG 26 5.548 -8.233 -1.333 206 HB3 ARG 26 HB3 ARG 26 5.893 -9.719 -0.457 207 HG2 ARG 26 HG2 ARG 26 4.183 -10.839 -1.407 208 HG3 ARG 26 HG3 ARG 26 3.138 -9.417 -1.459 209 HD2 ARG 26 HD2 ARG 26 3.958 -8.719 -3.478 210 HD3 ARG 26 HD3 ARG 26 5.534 -9.466 -3.218 211 HE ARG 26 HE ARG 26 3.451 -11.398 -3.506 212 HH11 ARG 26 HH11 ARG 26 5.588 -9.282 -5.259 213 HH12 ARG 26 HH12 ARG 26 5.569 -10.243 -6.700 214 HH21 ARG 26 HH21 ARG 26 3.418 -12.672 -5.398 215 HH22 ARG 26 HH22 ARG 26 4.334 -12.170 -6.779 216 H TYR 27 H TYR 27 5.239 -10.282 2.067 217 HA TYR 27 HA TYR 27 2.715 -11.717 2.097 218 HB2 TYR 27 HB2 TYR 27 5.503 -12.293 2.991 219 HB3 TYR 27 HB3 TYR 27 4.186 -13.178 3.752 220 HD1 TYR 27 HD1 TYR 27 2.365 -13.987 1.850 221 HD2 TYR 27 HD2 TYR 27 6.545 -13.425 1.285 222 HE1 TYR 27 HE1 TYR 27 2.313 -15.550 -0.049 223 HE2 TYR 27 HE2 TYR 27 6.504 -14.985 -0.616 224 HH TYR 27 HH TYR 27 5.271 -16.358 -1.844 225 H GLY 28 H GLY 28 4.967 -10.825 4.718 226 HA2 GLY 28 HA2 GLY 28 3.568 -9.142 6.254 227 HA3 GLY 28 HA3 GLY 28 2.729 -10.654 6.568 Start of MODEL 7 1 H ALA 1 H ALA 1 10.608 3.693 -6.324 2 HA ALA 1 HA ALA 1 9.288 1.114 -6.810 3 HB1 ALA 1 HB1 ALA 1 9.774 0.814 -4.214 4 HB2 ALA 1 HB2 ALA 1 10.902 0.263 -5.454 5 HB3 ALA 1 HB3 ALA 1 11.178 1.798 -4.630 6 H ASP 2 H ASP 2 7.198 1.649 -6.839 7 HA ASP 2 HA ASP 2 6.057 3.856 -5.523 8 HB2 ASP 2 HB2 ASP 2 4.800 1.340 -6.631 9 HB3 ASP 2 HB3 ASP 2 3.872 2.711 -6.029 10 H ASP 3 H ASP 3 6.440 0.492 -4.580 11 HA ASP 3 HA ASP 3 4.752 0.551 -2.318 12 HB2 ASP 3 HB2 ASP 3 5.876 -1.460 -3.571 13 HB3 ASP 3 HB3 ASP 3 7.186 -1.194 -2.423 14 H ARG 4 H ARG 4 5.015 2.054 -0.784 15 HA ARG 4 HA ARG 4 7.390 3.325 -0.077 16 HB2 ARG 4 HB2 ARG 4 6.183 3.940 2.033 17 HB3 ARG 4 HB3 ARG 4 5.299 4.298 0.556 18 HG2 ARG 4 HG2 ARG 4 3.933 2.316 0.864 19 HG3 ARG 4 HG3 ARG 4 4.848 1.896 2.313 20 HD2 ARG 4 HD2 ARG 4 2.676 3.002 2.789 21 HD3 ARG 4 HD3 ARG 4 4.069 3.862 3.446 22 HE ARG 4 HE ARG 4 3.226 4.784 0.851 23 HH11 ARG 4 HH11 ARG 4 2.817 5.102 4.293 24 HH12 ARG 4 HH12 ARG 4 2.197 6.717 4.202 25 HH21 ARG 4 HH21 ARG 4 2.410 6.910 0.718 26 HH22 ARG 4 HH22 ARG 4 1.965 7.744 2.168 27 H CYS 5 H CYS 5 5.936 0.362 1.137 28 HA CYS 5 HA CYS 5 7.539 -0.013 3.400 29 HB2 CYS 5 HB2 CYS 5 5.491 -1.400 2.183 30 HB3 CYS 5 HB3 CYS 5 6.864 -2.482 1.977 31 H TYR 6 H TYR 6 7.894 -1.662 0.255 32 HA TYR 6 HA TYR 6 10.391 -2.773 0.731 33 HB2 TYR 6 HB2 TYR 6 9.155 -3.539 -1.151 34 HB3 TYR 6 HB3 TYR 6 9.053 -1.920 -1.835 35 HD1 TYR 6 HD1 TYR 6 11.871 -4.054 -0.601 36 HD2 TYR 6 HD2 TYR 6 10.248 -1.758 -3.794 37 HE1 TYR 6 HE1 TYR 6 13.887 -4.498 -1.937 38 HE2 TYR 6 HE2 TYR 6 12.260 -2.197 -5.140 39 HH TYR 6 HH TYR 6 14.799 -4.365 -3.995 40 H ARG 7 H ARG 7 9.531 0.443 -0.380 41 HA ARG 7 HA ARG 7 11.982 1.338 -1.318 42 HB2 ARG 7 HB2 ARG 7 9.591 2.643 -0.124 43 HB3 ARG 7 HB3 ARG 7 11.061 3.600 -0.237 44 HG2 ARG 7 HG2 ARG 7 9.982 2.131 -2.612 45 HG3 ARG 7 HG3 ARG 7 9.374 3.724 -2.158 46 HD2 ARG 7 HD2 ARG 7 11.901 4.363 -2.108 47 HD3 ARG 7 HD3 ARG 7 12.091 2.930 -3.117 48 HE ARG 7 HE ARG 7 10.065 4.398 -4.268 49 HH11 ARG 7 HH11 ARG 7 13.423 4.889 -3.492 50 HH12 ARG 7 HH12 ARG 7 13.700 5.989 -4.801 51 HH21 ARG 7 HH21 ARG 7 10.417 5.846 -5.996 52 HH22 ARG 7 HH22 ARG 7 11.989 6.534 -6.224 53 H MET 8 H MET 8 10.801 1.057 1.986 54 HA MET 8 HA MET 8 12.885 2.485 3.241 55 HB2 MET 8 HB2 MET 8 10.695 1.855 4.290 56 HB3 MET 8 HB3 MET 8 11.287 0.204 4.411 57 HG2 MET 8 HG2 MET 8 13.010 0.851 5.921 58 HG3 MET 8 HG3 MET 8 12.669 2.561 5.661 59 HE1 MET 8 HE1 MET 8 11.035 3.806 6.341 60 HE2 MET 8 HE2 MET 8 9.433 3.263 6.838 61 HE3 MET 8 HE3 MET 8 10.637 3.687 8.055 62 H CYS 9 H CYS 9 12.590 -0.825 2.146 63 HA CYS 9 HA CYS 9 14.784 -1.910 3.546 64 HB2 CYS 9 HB2 CYS 9 13.781 -2.794 0.837 65 HB3 CYS 9 HB3 CYS 9 14.639 -3.766 2.028 66 H GLN 10 H GLN 10 14.551 0.024 0.671 67 HA GLN 10 HA GLN 10 16.946 -0.547 -0.600 68 HB2 GLN 10 HB2 GLN 10 15.133 0.970 -1.439 69 HB3 GLN 10 HB3 GLN 10 15.726 2.203 -0.334 70 HG2 GLN 10 HG2 GLN 10 17.648 2.558 -1.539 71 HG3 GLN 10 HG3 GLN 10 17.609 0.957 -2.276 72 HE21 GLN 10 HE21 GLN 10 18.079 2.383 -4.178 73 HE22 GLN 10 HE22 GLN 10 16.724 2.984 -5.064 74 H ARG 11 H ARG 11 16.361 1.172 2.353 75 HA ARG 11 HA ARG 11 18.769 2.622 2.521 76 HB2 ARG 11 HB2 ARG 11 18.223 3.014 4.776 77 HB3 ARG 11 HB3 ARG 11 16.672 2.861 3.960 78 HG2 ARG 11 HG2 ARG 11 16.193 1.486 5.662 79 HG3 ARG 11 HG3 ARG 11 17.089 0.301 4.710 80 HD2 ARG 11 HD2 ARG 11 18.164 0.075 6.710 81 HD3 ARG 11 HD3 ARG 11 19.144 1.353 5.993 82 HE ARG 11 HE ARG 11 16.929 2.302 7.573 83 HH11 ARG 11 HH11 ARG 11 20.266 1.309 7.589 84 HH12 ARG 11 HH12 ARG 11 20.655 2.187 9.031 85 HH21 ARG 11 HH21 ARG 11 17.429 3.462 9.472 86 HH22 ARG 11 HH22 ARG 11 19.041 3.410 10.102 87 H TYR 12 H TYR 12 18.031 -0.719 2.999 88 HA TYR 12 HA TYR 12 20.439 -1.281 4.498 89 HB2 TYR 12 HB2 TYR 12 18.196 -2.958 3.407 90 HB3 TYR 12 HB3 TYR 12 19.669 -3.710 4.009 91 HD1 TYR 12 HD1 TYR 12 16.493 -3.262 4.932 92 HD2 TYR 12 HD2 TYR 12 20.369 -2.251 6.366 93 HE1 TYR 12 HE1 TYR 12 15.608 -3.144 7.223 94 HE2 TYR 12 HE2 TYR 12 19.495 -2.131 8.661 95 HH TYR 12 HH TYR 12 16.883 -3.451 9.707 96 H HIS 13 H HIS 13 22.364 -1.510 3.597 97 HA HIS 13 HA HIS 13 22.685 -1.702 0.754 98 HB2 HIS 13 HB2 HIS 13 24.678 -1.763 3.025 99 HB3 HIS 13 HB3 HIS 13 25.133 -1.801 1.324 100 HD1 HIS 13 HD1 HIS 13 25.011 0.497 3.937 101 HD2 HIS 13 HD2 HIS 13 23.677 0.613 0.004 102 HE1 HIS 13 HE1 HIS 13 24.793 2.938 3.373 103 H ASP 14 H ASP 14 22.729 -3.916 3.435 104 HA ASP 14 HA ASP 14 24.045 -6.050 2.061 105 HB2 ASP 14 HB2 ASP 14 23.059 -5.550 4.702 106 HB3 ASP 14 HB3 ASP 14 22.419 -7.092 4.140 107 H ARG 15 H ARG 15 23.205 -7.150 0.429 108 HA ARG 15 HA ARG 15 20.617 -6.994 -0.516 109 HB2 ARG 15 HB2 ARG 15 21.117 -9.044 -1.797 110 HB3 ARG 15 HB3 ARG 15 22.430 -7.876 -1.867 111 HG2 ARG 15 HG2 ARG 15 23.464 -9.214 0.058 112 HG3 ARG 15 HG3 ARG 15 22.306 -10.471 -0.380 113 HD2 ARG 15 HD2 ARG 15 24.270 -10.999 -1.559 114 HD3 ARG 15 HD3 ARG 15 23.199 -10.257 -2.747 115 HE ARG 15 HE ARG 15 24.796 -8.246 -1.663 116 HH11 ARG 15 HH11 ARG 15 25.140 -11.112 -3.609 117 HH12 ARG 15 HH12 ARG 15 26.532 -10.526 -4.459 118 HH21 ARG 15 HH21 ARG 15 26.628 -7.463 -2.774 119 HH22 ARG 15 HH22 ARG 15 27.378 -8.451 -3.983 120 H ARG 16 H ARG 16 21.973 -9.186 1.873 121 HA ARG 16 HA ARG 16 19.794 -10.970 2.026 122 HB2 ARG 16 HB2 ARG 16 21.727 -10.245 4.233 123 HB3 ARG 16 HB3 ARG 16 20.759 -11.709 4.122 124 HG2 ARG 16 HG2 ARG 16 22.011 -12.189 1.963 125 HG3 ARG 16 HG3 ARG 16 23.118 -10.905 2.454 126 HD2 ARG 16 HD2 ARG 16 23.332 -12.172 4.659 127 HD3 ARG 16 HD3 ARG 16 22.551 -13.516 3.827 128 HE ARG 16 HE ARG 16 24.594 -12.865 2.176 129 HH11 ARG 16 HH11 ARG 16 24.394 -13.587 5.576 130 HH12 ARG 16 HH12 ARG 16 25.988 -14.263 5.659 131 HH21 ARG 16 HH21 ARG 16 26.693 -13.752 2.273 132 HH22 ARG 16 HH22 ARG 16 27.295 -14.355 3.780 133 H GLU 17 H GLU 17 20.577 -8.016 3.818 134 HA GLU 17 HA GLU 17 18.388 -8.147 5.602 135 HB2 GLU 17 HB2 GLU 17 20.133 -5.874 4.670 136 HB3 GLU 17 HB3 GLU 17 18.833 -5.640 5.829 137 HG2 GLU 17 HG2 GLU 17 19.876 -7.087 7.407 138 HG3 GLU 17 HG3 GLU 17 21.082 -7.594 6.226 139 H LYS 18 H LYS 18 18.791 -6.786 2.390 140 HA LYS 18 HA LYS 18 16.390 -5.303 2.308 141 HB2 LYS 18 HB2 LYS 18 18.060 -6.520 0.105 142 HB3 LYS 18 HB3 LYS 18 16.686 -5.462 -0.187 143 HG2 LYS 18 HG2 LYS 18 18.328 -4.128 1.659 144 HG3 LYS 18 HG3 LYS 18 19.397 -4.785 0.418 145 HD2 LYS 18 HD2 LYS 18 16.935 -3.120 -0.109 146 HD3 LYS 18 HD3 LYS 18 18.594 -2.516 -0.125 147 HE2 LYS 18 HE2 LYS 18 18.980 -4.422 -1.855 148 HE3 LYS 18 HE3 LYS 18 17.227 -4.368 -2.036 149 HZ1 LYS 18 HZ1 LYS 18 19.237 -2.416 -2.832 150 HZ2 LYS 18 HZ2 LYS 18 17.781 -1.795 -2.239 151 HZ3 LYS 18 HZ3 LYS 18 17.775 -2.830 -3.576 152 H LYS 19 H LYS 19 17.175 -8.630 1.405 153 HA LYS 19 HA LYS 19 14.727 -9.307 0.224 154 HB2 LYS 19 HB2 LYS 19 16.603 -10.761 -0.065 155 HB3 LYS 19 HB3 LYS 19 16.780 -10.980 1.671 156 HG2 LYS 19 HG2 LYS 19 15.291 -12.636 1.724 157 HG3 LYS 19 HG3 LYS 19 14.157 -11.771 0.684 158 HD2 LYS 19 HD2 LYS 19 16.539 -12.681 -0.730 159 HD3 LYS 19 HD3 LYS 19 15.613 -14.002 -0.014 160 HE2 LYS 19 HE2 LYS 19 13.586 -12.686 -1.075 161 HE3 LYS 19 HE3 LYS 19 14.845 -12.068 -2.143 162 HZ1 LYS 19 HZ1 LYS 19 14.104 -14.909 -1.715 163 HZ2 LYS 19 HZ2 LYS 19 15.456 -14.412 -2.601 164 HZ3 LYS 19 HZ3 LYS 19 13.901 -14.003 -3.129 165 H GLN 20 H GLN 20 15.846 -9.898 3.559 166 HA GLN 20 HA GLN 20 13.512 -11.014 4.557 167 HB2 GLN 20 HB2 GLN 20 15.856 -10.685 5.649 168 HB3 GLN 20 HB3 GLN 20 15.178 -9.175 6.241 169 HG2 GLN 20 HG2 GLN 20 13.327 -10.481 7.265 170 HG3 GLN 20 HG3 GLN 20 14.170 -11.955 6.789 171 HE21 GLN 20 HE21 GLN 20 16.282 -12.330 7.686 172 HE22 GLN 20 HE22 GLN 20 16.680 -11.692 9.241 173 H CYS 21 H CYS 21 14.475 -7.600 4.428 174 HA CYS 21 HA CYS 21 12.188 -6.585 5.733 175 HB2 CYS 21 HB2 CYS 21 14.131 -5.196 5.570 176 HB3 CYS 21 HB3 CYS 21 14.145 -5.318 3.814 177 H LYS 22 H LYS 22 12.945 -7.111 2.316 178 HA LYS 22 HA LYS 22 10.633 -5.928 1.243 179 HB2 LYS 22 HB2 LYS 22 12.438 -6.375 -0.233 180 HB3 LYS 22 HB3 LYS 22 12.483 -8.075 0.217 181 HG2 LYS 22 HG2 LYS 22 10.843 -8.636 -1.215 182 HG3 LYS 22 HG3 LYS 22 9.946 -7.139 -0.943 183 HD2 LYS 22 HD2 LYS 22 12.316 -6.376 -2.222 184 HD3 LYS 22 HD3 LYS 22 11.767 -7.824 -3.068 185 HE2 LYS 22 HE2 LYS 22 9.579 -6.814 -3.407 186 HE3 LYS 22 HE3 LYS 22 10.083 -5.383 -2.509 187 HZ1 LYS 22 HZ1 LYS 22 11.987 -5.499 -4.358 188 HZ2 LYS 22 HZ2 LYS 22 10.550 -4.632 -4.561 189 HZ3 LYS 22 HZ3 LYS 22 10.707 -6.177 -5.231 190 H GLU 23 H GLU 23 11.335 -9.379 1.820 191 HA GLU 23 HA GLU 23 8.749 -10.292 1.190 192 HB2 GLU 23 HB2 GLU 23 10.808 -11.710 1.311 193 HB3 GLU 23 HB3 GLU 23 10.732 -11.594 3.063 194 HG2 GLU 23 HG2 GLU 23 8.735 -12.830 3.164 195 HG3 GLU 23 HG3 GLU 23 8.457 -12.670 1.431 196 H GLY 24 H GLY 24 10.200 -9.186 4.200 197 HA2 GLY 24 HA2 GLY 24 8.086 -10.014 5.907 198 HA3 GLY 24 HA3 GLY 24 9.305 -8.806 6.283 199 H CYS 25 H CYS 25 8.712 -7.034 4.123 200 HA CYS 25 HA CYS 25 6.660 -5.502 5.319 201 HB2 CYS 25 HB2 CYS 25 8.541 -5.214 3.122 202 HB3 CYS 25 HB3 CYS 25 6.973 -4.517 2.730 203 H ARG 26 H ARG 26 6.762 -7.462 2.365 204 HA ARG 26 HA ARG 26 4.095 -6.884 1.577 205 HB2 ARG 26 HB2 ARG 26 4.374 -8.638 -0.053 206 HB3 ARG 26 HB3 ARG 26 5.864 -7.708 0.034 207 HG2 ARG 26 HG2 ARG 26 6.952 -9.422 1.278 208 HG3 ARG 26 HG3 ARG 26 5.439 -10.306 1.487 209 HD2 ARG 26 HD2 ARG 26 6.974 -11.226 -0.269 210 HD3 ARG 26 HD3 ARG 26 5.344 -10.850 -0.825 211 HE ARG 26 HE ARG 26 7.186 -8.695 -1.230 212 HH11 ARG 26 HH11 ARG 26 5.997 -11.695 -2.538 213 HH12 ARG 26 HH12 ARG 26 6.421 -11.302 -4.171 214 HH21 ARG 26 HH21 ARG 26 7.750 -8.167 -3.376 215 HH22 ARG 26 HH22 ARG 26 7.419 -9.295 -4.647 216 H TYR 27 H TYR 27 2.253 -8.233 1.663 217 HA TYR 27 HA TYR 27 2.098 -9.788 4.111 218 HB2 TYR 27 HB2 TYR 27 0.024 -8.828 2.141 219 HB3 TYR 27 HB3 TYR 27 -0.367 -9.891 3.489 220 HD1 TYR 27 HD1 TYR 27 -0.456 -6.607 2.482 221 HD2 TYR 27 HD2 TYR 27 0.754 -8.965 5.810 222 HE1 TYR 27 HE1 TYR 27 -0.695 -4.647 3.949 223 HE2 TYR 27 HE2 TYR 27 0.517 -7.012 7.287 224 HH TYR 27 HH TYR 27 -0.426 -3.839 6.001 225 H GLY 28 H GLY 28 1.248 -10.278 0.679 226 HA2 GLY 28 HA2 GLY 28 1.866 -12.245 -0.525 227 HA3 GLY 28 HA3 GLY 28 1.951 -13.113 1.001 Start of MODEL 8 1 H ALA 1 H ALA 1 4.514 -3.770 -8.789 2 HA ALA 1 HA ALA 1 5.700 -1.188 -9.046 3 HB1 ALA 1 HB1 ALA 1 3.703 -0.397 -8.385 4 HB2 ALA 1 HB2 ALA 1 3.167 -2.056 -8.654 5 HB3 ALA 1 HB3 ALA 1 3.589 -1.518 -7.028 6 H ASP 2 H ASP 2 6.854 -0.004 -7.613 7 HA ASP 2 HA ASP 2 8.064 -1.394 -5.400 8 HB2 ASP 2 HB2 ASP 2 8.405 1.377 -6.542 9 HB3 ASP 2 HB3 ASP 2 9.251 0.844 -5.092 10 H ASP 3 H ASP 3 7.069 -1.572 -3.511 11 HA ASP 3 HA ASP 3 4.941 0.157 -2.710 12 HB2 ASP 3 HB2 ASP 3 5.435 -2.362 -2.104 13 HB3 ASP 3 HB3 ASP 3 6.335 -1.645 -0.771 14 H ARG 4 H ARG 4 4.884 1.495 -0.826 15 HA ARG 4 HA ARG 4 6.999 3.303 -0.627 16 HB2 ARG 4 HB2 ARG 4 4.523 2.775 0.939 17 HB3 ARG 4 HB3 ARG 4 5.749 3.800 1.673 18 HG2 ARG 4 HG2 ARG 4 5.686 5.167 -0.457 19 HG3 ARG 4 HG3 ARG 4 4.234 4.255 -0.877 20 HD2 ARG 4 HD2 ARG 4 4.633 5.946 1.589 21 HD3 ARG 4 HD3 ARG 4 3.652 6.366 0.185 22 HE ARG 4 HE ARG 4 2.770 3.911 1.229 23 HH11 ARG 4 HH11 ARG 4 2.818 7.303 2.009 24 HH12 ARG 4 HH12 ARG 4 1.368 7.239 2.957 25 HH21 ARG 4 HH21 ARG 4 0.860 3.814 2.474 26 HH22 ARG 4 HH22 ARG 4 0.256 5.254 3.221 27 H CYS 5 H CYS 5 5.979 0.830 1.733 28 HA CYS 5 HA CYS 5 8.022 1.200 3.577 29 HB2 CYS 5 HB2 CYS 5 7.583 -1.198 4.218 30 HB3 CYS 5 HB3 CYS 5 6.153 -0.171 4.165 31 H TYR 6 H TYR 6 7.961 -0.742 0.634 32 HA TYR 6 HA TYR 6 10.354 -2.138 0.992 33 HB2 TYR 6 HB2 TYR 6 8.893 -2.817 -0.765 34 HB3 TYR 6 HB3 TYR 6 8.926 -1.220 -1.503 35 HD1 TYR 6 HD1 TYR 6 9.981 -1.269 -3.549 36 HD2 TYR 6 HD2 TYR 6 11.571 -3.616 -0.375 37 HE1 TYR 6 HE1 TYR 6 11.829 -1.979 -5.008 38 HE2 TYR 6 HE2 TYR 6 13.424 -4.331 -1.825 39 HH TYR 6 HH TYR 6 13.570 -3.372 -5.229 40 H ARG 7 H ARG 7 9.730 1.110 -0.192 41 HA ARG 7 HA ARG 7 12.200 1.713 -1.314 42 HB2 ARG 7 HB2 ARG 7 10.428 3.588 0.262 43 HB3 ARG 7 HB3 ARG 7 11.650 4.052 -0.914 44 HG2 ARG 7 HG2 ARG 7 10.214 2.543 -2.516 45 HG3 ARG 7 HG3 ARG 7 8.946 2.897 -1.340 46 HD2 ARG 7 HD2 ARG 7 10.635 5.023 -2.639 47 HD3 ARG 7 HD3 ARG 7 9.100 4.471 -3.307 48 HE ARG 7 HE ARG 7 8.537 5.140 -0.715 49 HH11 ARG 7 HH11 ARG 7 9.909 6.782 -3.461 50 HH12 ARG 7 HH12 ARG 7 9.324 8.342 -2.985 51 HH21 ARG 7 HH21 ARG 7 7.761 7.188 -0.078 52 HH22 ARG 7 HH22 ARG 7 8.103 8.572 -1.060 53 H MET 8 H MET 8 11.191 1.664 2.052 54 HA MET 8 HA MET 8 13.441 2.972 3.139 55 HB2 MET 8 HB2 MET 8 11.492 0.993 4.316 56 HB3 MET 8 HB3 MET 8 12.765 1.755 5.260 57 HG2 MET 8 HG2 MET 8 11.822 3.900 4.980 58 HG3 MET 8 HG3 MET 8 10.721 3.330 3.728 59 HE1 MET 8 HE1 MET 8 9.288 4.963 6.465 60 HE2 MET 8 HE2 MET 8 9.810 4.060 7.887 61 HE3 MET 8 HE3 MET 8 11.007 4.705 6.764 62 H CYS 9 H CYS 9 12.861 -0.325 2.145 63 HA CYS 9 HA CYS 9 15.020 -1.548 3.482 64 HB2 CYS 9 HB2 CYS 9 13.853 -2.393 0.826 65 HB3 CYS 9 HB3 CYS 9 14.685 -3.409 1.998 66 H GLN 10 H GLN 10 14.829 0.366 0.593 67 HA GLN 10 HA GLN 10 17.121 -0.401 -0.761 68 HB2 GLN 10 HB2 GLN 10 15.359 1.283 -1.482 69 HB3 GLN 10 HB3 GLN 10 16.211 2.462 -0.493 70 HG2 GLN 10 HG2 GLN 10 18.062 2.483 -1.877 71 HG3 GLN 10 HG3 GLN 10 17.674 0.916 -2.586 72 HE21 GLN 10 HE21 GLN 10 18.282 3.398 -3.931 73 HE22 GLN 10 HE22 GLN 10 16.908 3.781 -4.907 74 H ARG 11 H ARG 11 16.787 1.380 2.195 75 HA ARG 11 HA ARG 11 19.305 2.640 2.255 76 HB2 ARG 11 HB2 ARG 11 18.882 3.080 4.532 77 HB3 ARG 11 HB3 ARG 11 17.298 3.062 3.770 78 HG2 ARG 11 HG2 ARG 11 16.778 1.754 5.521 79 HG3 ARG 11 HG3 ARG 11 17.479 0.487 4.513 80 HD2 ARG 11 HD2 ARG 11 18.591 0.147 6.497 81 HD3 ARG 11 HD3 ARG 11 19.711 1.218 5.655 82 HE ARG 11 HE ARG 11 19.363 2.761 7.294 83 HH11 ARG 11 HH11 ARG 11 16.674 0.549 7.271 84 HH12 ARG 11 HH12 ARG 11 15.924 1.242 8.671 85 HH21 ARG 11 HH21 ARG 11 18.385 3.682 9.137 86 HH22 ARG 11 HH22 ARG 11 16.898 3.024 9.731 87 H TYR 12 H TYR 12 18.322 -0.629 2.815 88 HA TYR 12 HA TYR 12 20.745 -1.363 4.214 89 HB2 TYR 12 HB2 TYR 12 18.399 -2.953 3.177 90 HB3 TYR 12 HB3 TYR 12 19.800 -3.706 3.930 91 HD1 TYR 12 HD1 TYR 12 20.391 -2.983 6.317 92 HD2 TYR 12 HD2 TYR 12 16.641 -2.144 4.489 93 HE1 TYR 12 HE1 TYR 12 19.395 -2.626 8.538 94 HE2 TYR 12 HE2 TYR 12 15.635 -1.784 6.705 95 HH TYR 12 HH TYR 12 16.822 -1.041 9.166 96 H HIS 13 H HIS 13 22.580 -2.026 3.312 97 HA HIS 13 HA HIS 13 22.750 -2.220 0.426 98 HB2 HIS 13 HB2 HIS 13 24.715 -2.035 2.669 99 HB3 HIS 13 HB3 HIS 13 25.257 -2.694 1.128 100 HD1 HIS 13 HD1 HIS 13 25.138 -1.061 -0.947 101 HD2 HIS 13 HD2 HIS 13 24.426 0.703 2.747 102 HE1 HIS 13 HE1 HIS 13 25.355 1.414 -1.331 103 H ASP 14 H ASP 14 22.866 -4.321 3.212 104 HA ASP 14 HA ASP 14 23.900 -6.596 1.822 105 HB2 ASP 14 HB2 ASP 14 23.245 -5.917 4.517 106 HB3 ASP 14 HB3 ASP 14 22.412 -7.413 4.107 107 H ARG 15 H ARG 15 22.784 -7.452 0.188 108 HA ARG 15 HA ARG 15 20.081 -7.237 -0.324 109 HB2 ARG 15 HB2 ARG 15 21.993 -8.154 -1.805 110 HB3 ARG 15 HB3 ARG 15 21.622 -9.708 -1.070 111 HG2 ARG 15 HG2 ARG 15 19.386 -8.152 -2.249 112 HG3 ARG 15 HG3 ARG 15 20.524 -8.946 -3.339 113 HD2 ARG 15 HD2 ARG 15 19.369 -10.485 -1.060 114 HD3 ARG 15 HD3 ARG 15 18.380 -10.196 -2.491 115 HE ARG 15 HE ARG 15 20.953 -11.217 -3.167 116 HH11 ARG 15 HH11 ARG 15 17.801 -12.123 -1.999 117 HH12 ARG 15 HH12 ARG 15 17.904 -13.747 -2.594 118 HH21 ARG 15 HH21 ARG 15 21.101 -13.352 -3.955 119 HH22 ARG 15 HH22 ARG 15 19.782 -14.445 -3.705 120 H ARG 16 H ARG 16 21.771 -9.538 1.712 121 HA ARG 16 HA ARG 16 19.664 -11.380 2.056 122 HB2 ARG 16 HB2 ARG 16 22.092 -11.730 2.657 123 HB3 ARG 16 HB3 ARG 16 21.811 -10.729 4.076 124 HG2 ARG 16 HG2 ARG 16 19.891 -12.419 4.553 125 HG3 ARG 16 HG3 ARG 16 20.799 -13.464 3.459 126 HD2 ARG 16 HD2 ARG 16 22.599 -13.618 4.882 127 HD3 ARG 16 HD3 ARG 16 22.245 -12.078 5.665 128 HE ARG 16 HE ARG 16 20.153 -13.710 6.338 129 HH11 ARG 16 HH11 ARG 16 23.615 -13.833 6.682 130 HH12 ARG 16 HH12 ARG 16 23.568 -14.764 8.142 131 HH21 ARG 16 HH21 ARG 16 20.078 -14.936 8.261 132 HH22 ARG 16 HH22 ARG 16 21.555 -15.391 9.039 133 H GLU 17 H GLU 17 20.644 -8.529 3.928 134 HA GLU 17 HA GLU 17 18.545 -8.828 5.852 135 HB2 GLU 17 HB2 GLU 17 20.478 -6.605 5.220 136 HB3 GLU 17 HB3 GLU 17 19.228 -6.432 6.444 137 HG2 GLU 17 HG2 GLU 17 20.952 -8.825 6.628 138 HG3 GLU 17 HG3 GLU 17 21.696 -7.269 6.991 139 H LYS 18 H LYS 18 18.990 -7.016 2.878 140 HA LYS 18 HA LYS 18 16.739 -5.329 3.126 141 HB2 LYS 18 HB2 LYS 18 18.795 -5.421 1.405 142 HB3 LYS 18 HB3 LYS 18 17.577 -6.220 0.419 143 HG2 LYS 18 HG2 LYS 18 16.678 -3.748 1.717 144 HG3 LYS 18 HG3 LYS 18 17.966 -3.543 0.527 145 HD2 LYS 18 HD2 LYS 18 15.420 -5.068 -0.002 146 HD3 LYS 18 HD3 LYS 18 15.642 -3.362 -0.395 147 HE2 LYS 18 HE2 LYS 18 17.774 -4.229 -1.633 148 HE3 LYS 18 HE3 LYS 18 16.926 -5.775 -1.600 149 HZ1 LYS 18 HZ1 LYS 18 15.397 -5.070 -3.077 150 HZ2 LYS 18 HZ2 LYS 18 16.620 -3.996 -3.536 151 HZ3 LYS 18 HZ3 LYS 18 15.385 -3.479 -2.502 152 H LYS 19 H LYS 19 17.184 -8.504 1.620 153 HA LYS 19 HA LYS 19 14.694 -8.797 0.431 154 HB2 LYS 19 HB2 LYS 19 16.843 -10.348 0.513 155 HB3 LYS 19 HB3 LYS 19 15.930 -11.155 1.781 156 HG2 LYS 19 HG2 LYS 19 14.555 -10.598 -0.791 157 HG3 LYS 19 HG3 LYS 19 15.756 -11.892 -0.743 158 HD2 LYS 19 HD2 LYS 19 14.501 -13.189 0.660 159 HD3 LYS 19 HD3 LYS 19 13.717 -11.802 1.419 160 HE2 LYS 19 HE2 LYS 19 12.188 -11.562 -0.324 161 HE3 LYS 19 HE3 LYS 19 13.173 -12.503 -1.443 162 HZ1 LYS 19 HZ1 LYS 19 12.545 -14.489 -0.443 163 HZ2 LYS 19 HZ2 LYS 19 11.108 -13.597 -0.466 164 HZ3 LYS 19 HZ3 LYS 19 11.994 -13.736 0.968 165 H GLN 20 H GLN 20 15.654 -9.223 3.782 166 HA GLN 20 HA GLN 20 13.223 -10.438 4.635 167 HB2 GLN 20 HB2 GLN 20 15.435 -10.561 5.837 168 HB3 GLN 20 HB3 GLN 20 15.182 -8.894 6.336 169 HG2 GLN 20 HG2 GLN 20 13.476 -9.436 7.773 170 HG3 GLN 20 HG3 GLN 20 13.076 -10.920 6.909 171 HE21 GLN 20 HE21 GLN 20 13.074 -11.810 9.099 172 HE22 GLN 20 HE22 GLN 20 14.569 -12.348 9.777 173 H CYS 21 H CYS 21 14.398 -7.127 4.447 174 HA CYS 21 HA CYS 21 12.317 -5.924 5.930 175 HB2 CYS 21 HB2 CYS 21 14.326 -4.678 5.555 176 HB3 CYS 21 HB3 CYS 21 14.173 -4.841 3.808 177 H LYS 22 H LYS 22 12.755 -6.446 2.446 178 HA LYS 22 HA LYS 22 10.341 -5.208 1.654 179 HB2 LYS 22 HB2 LYS 22 10.677 -6.472 -0.477 180 HB3 LYS 22 HB3 LYS 22 12.078 -5.539 0.032 181 HG2 LYS 22 HG2 LYS 22 13.194 -7.505 0.802 182 HG3 LYS 22 HG3 LYS 22 11.748 -8.485 0.549 183 HD2 LYS 22 HD2 LYS 22 13.091 -8.951 -1.310 184 HD3 LYS 22 HD3 LYS 22 11.923 -7.769 -1.906 185 HE2 LYS 22 HE2 LYS 22 13.517 -6.261 -2.333 186 HE3 LYS 22 HE3 LYS 22 14.307 -6.535 -0.781 187 HZ1 LYS 22 HZ1 LYS 22 15.918 -7.430 -2.019 188 HZ2 LYS 22 HZ2 LYS 22 14.928 -7.621 -3.377 189 HZ3 LYS 22 HZ3 LYS 22 14.905 -8.780 -2.145 190 H GLU 23 H GLU 23 11.146 -8.481 2.639 191 HA GLU 23 HA GLU 23 8.881 -9.839 1.789 192 HB2 GLU 23 HB2 GLU 23 10.981 -10.773 2.906 193 HB3 GLU 23 HB3 GLU 23 10.224 -10.354 4.437 194 HG2 GLU 23 HG2 GLU 23 8.457 -11.881 4.093 195 HG3 GLU 23 HG3 GLU 23 8.896 -12.117 2.402 196 H GLY 24 H GLY 24 9.381 -7.892 4.698 197 HA2 GLY 24 HA2 GLY 24 7.007 -8.495 6.039 198 HA3 GLY 24 HA3 GLY 24 7.891 -6.983 6.187 199 H CYS 25 H CYS 25 7.605 -6.280 3.380 200 HA CYS 25 HA CYS 25 5.173 -4.857 3.535 201 HB2 CYS 25 HB2 CYS 25 7.038 -5.389 1.217 202 HB3 CYS 25 HB3 CYS 25 5.648 -4.313 1.117 203 H ARG 26 H ARG 26 6.129 -7.704 1.639 204 HA ARG 26 HA ARG 26 3.547 -8.011 0.444 205 HB2 ARG 26 HB2 ARG 26 4.419 -10.079 -0.472 206 HB3 ARG 26 HB3 ARG 26 5.624 -8.808 -0.636 207 HG2 ARG 26 HG2 ARG 26 6.949 -9.697 1.094 208 HG3 ARG 26 HG3 ARG 26 5.653 -10.763 1.642 209 HD2 ARG 26 HD2 ARG 26 6.963 -12.242 0.475 210 HD3 ARG 26 HD3 ARG 26 5.839 -11.731 -0.784 211 HE ARG 26 HE ARG 26 8.095 -10.049 -0.801 212 HH11 ARG 26 HH11 ARG 26 7.151 -13.308 -1.577 213 HH12 ARG 26 HH12 ARG 26 8.357 -13.505 -2.805 214 HH21 ARG 26 HH21 ARG 26 9.688 -10.295 -2.415 215 HH22 ARG 26 HH22 ARG 26 9.801 -11.790 -3.280 216 H TYR 27 H TYR 27 2.384 -10.175 0.658 217 HA TYR 27 HA TYR 27 2.488 -11.306 3.341 218 HB2 TYR 27 HB2 TYR 27 0.215 -9.691 2.257 219 HB3 TYR 27 HB3 TYR 27 -0.132 -11.049 3.322 220 HD1 TYR 27 HD1 TYR 27 1.655 -11.044 5.438 221 HD2 TYR 27 HD2 TYR 27 0.197 -7.654 3.319 222 HE1 TYR 27 HE1 TYR 27 2.114 -9.629 7.397 223 HE2 TYR 27 HE2 TYR 27 0.653 -6.230 5.272 224 HH TYR 27 HH TYR 27 0.893 -7.033 8.117 225 H GLY 28 H GLY 28 2.641 -13.415 2.971 226 HA2 GLY 28 HA2 GLY 28 1.045 -15.294 2.313 227 HA3 GLY 28 HA3 GLY 28 1.120 -14.560 0.718 Start of MODEL 9 1 H ALA 1 H ALA 1 1.962 4.669 -7.023 2 HA ALA 1 HA ALA 1 2.704 2.177 -8.308 3 HB1 ALA 1 HB1 ALA 1 3.832 3.473 -9.903 4 HB2 ALA 1 HB2 ALA 1 2.399 4.416 -9.492 5 HB3 ALA 1 HB3 ALA 1 3.967 4.854 -8.814 6 H ASP 2 H ASP 2 4.316 4.711 -6.400 7 HA ASP 2 HA ASP 2 6.696 3.054 -6.143 8 HB2 ASP 2 HB2 ASP 2 7.123 5.378 -6.539 9 HB3 ASP 2 HB3 ASP 2 6.046 5.858 -5.231 10 H ASP 3 H ASP 3 6.574 1.472 -4.687 11 HA ASP 3 HA ASP 3 4.901 1.617 -2.368 12 HB2 ASP 3 HB2 ASP 3 5.584 -0.482 -3.699 13 HB3 ASP 3 HB3 ASP 3 7.090 -0.406 -2.789 14 H ARG 4 H ARG 4 5.470 3.112 -0.888 15 HA ARG 4 HA ARG 4 8.037 3.975 -0.264 16 HB2 ARG 4 HB2 ARG 4 5.423 4.015 1.190 17 HB3 ARG 4 HB3 ARG 4 6.882 4.506 2.040 18 HG2 ARG 4 HG2 ARG 4 7.297 6.228 0.379 19 HG3 ARG 4 HG3 ARG 4 5.872 5.715 -0.526 20 HD2 ARG 4 HD2 ARG 4 5.145 7.563 0.710 21 HD3 ARG 4 HD3 ARG 4 4.565 6.169 1.620 22 HE ARG 4 HE ARG 4 6.984 6.742 2.736 23 HH11 ARG 4 HH11 ARG 4 4.071 8.552 2.137 24 HH12 ARG 4 HH12 ARG 4 4.282 9.594 3.505 25 HH21 ARG 4 HH21 ARG 4 7.273 8.108 4.540 26 HH22 ARG 4 HH22 ARG 4 6.105 9.341 4.870 27 H CYS 5 H CYS 5 6.189 1.260 0.988 28 HA CYS 5 HA CYS 5 7.707 0.599 3.214 29 HB2 CYS 5 HB2 CYS 5 5.604 -0.511 2.738 30 HB3 CYS 5 HB3 CYS 5 6.272 -1.221 1.271 31 H TYR 6 H TYR 6 7.959 -1.093 0.086 32 HA TYR 6 HA TYR 6 10.367 -2.369 0.602 33 HB2 TYR 6 HB2 TYR 6 9.066 -3.090 -1.259 34 HB3 TYR 6 HB3 TYR 6 9.108 -1.493 -1.998 35 HD1 TYR 6 HD1 TYR 6 11.769 -3.744 -0.638 36 HD2 TYR 6 HD2 TYR 6 10.279 -1.576 -3.982 37 HE1 TYR 6 HE1 TYR 6 13.747 -4.406 -1.941 38 HE2 TYR 6 HE2 TYR 6 12.252 -2.233 -5.295 39 HH TYR 6 HH TYR 6 14.139 -4.645 -4.699 40 H ARG 7 H ARG 7 9.747 0.859 -0.641 41 HA ARG 7 HA ARG 7 12.271 1.533 -1.576 42 HB2 ARG 7 HB2 ARG 7 10.000 3.094 -0.419 43 HB3 ARG 7 HB3 ARG 7 11.535 3.908 -0.692 44 HG2 ARG 7 HG2 ARG 7 10.189 2.341 -2.863 45 HG3 ARG 7 HG3 ARG 7 9.767 4.023 -2.532 46 HD2 ARG 7 HD2 ARG 7 12.355 4.383 -2.665 47 HD3 ARG 7 HD3 ARG 7 12.319 2.869 -3.568 48 HE ARG 7 HE ARG 7 11.335 3.971 -5.326 49 HH11 ARG 7 HH11 ARG 7 11.259 5.993 -2.494 50 HH12 ARG 7 HH12 ARG 7 10.728 7.401 -3.353 51 HH21 ARG 7 HH21 ARG 7 10.636 5.817 -6.469 52 HH22 ARG 7 HH22 ARG 7 10.373 7.299 -5.615 53 H MET 8 H MET 8 11.028 1.460 1.713 54 HA MET 8 HA MET 8 13.175 2.810 2.950 55 HB2 MET 8 HB2 MET 8 10.954 2.374 4.001 56 HB3 MET 8 HB3 MET 8 11.400 0.679 4.153 57 HG2 MET 8 HG2 MET 8 13.132 1.181 5.690 58 HG3 MET 8 HG3 MET 8 12.996 2.910 5.375 59 HE1 MET 8 HE1 MET 8 11.429 4.412 6.140 60 HE2 MET 8 HE2 MET 8 9.826 3.753 5.818 61 HE3 MET 8 HE3 MET 8 10.280 4.203 7.462 62 H CYS 9 H CYS 9 12.708 -0.509 1.955 63 HA CYS 9 HA CYS 9 14.803 -1.679 3.435 64 HB2 CYS 9 HB2 CYS 9 13.811 -2.581 0.727 65 HB3 CYS 9 HB3 CYS 9 14.583 -3.566 1.965 66 H GLN 10 H GLN 10 14.748 0.175 0.497 67 HA GLN 10 HA GLN 10 17.137 -0.571 -0.693 68 HB2 GLN 10 HB2 GLN 10 15.300 1.152 -1.414 69 HB3 GLN 10 HB3 GLN 10 16.339 2.315 -0.600 70 HG2 GLN 10 HG2 GLN 10 17.533 0.472 -2.609 71 HG3 GLN 10 HG3 GLN 10 16.580 1.849 -3.161 72 HE21 GLN 10 HE21 GLN 10 19.338 1.456 -3.642 73 HE22 GLN 10 HE22 GLN 10 20.198 2.739 -2.868 74 H ARG 11 H ARG 11 16.581 1.258 2.196 75 HA ARG 11 HA ARG 11 19.054 2.591 2.382 76 HB2 ARG 11 HB2 ARG 11 18.481 3.065 4.615 77 HB3 ARG 11 HB3 ARG 11 16.942 2.967 3.770 78 HG2 ARG 11 HG2 ARG 11 16.909 0.517 4.555 79 HG3 ARG 11 HG3 ARG 11 18.159 1.027 5.693 80 HD2 ARG 11 HD2 ARG 11 16.082 2.952 5.773 81 HD3 ARG 11 HD3 ARG 11 15.335 1.358 5.869 82 HE ARG 11 HE ARG 11 16.246 1.089 7.955 83 HH11 ARG 11 HH11 ARG 11 17.781 3.779 6.364 84 HH12 ARG 11 HH12 ARG 11 18.636 4.296 7.780 85 HH21 ARG 11 HH21 ARG 11 17.366 1.760 9.825 86 HH22 ARG 11 HH22 ARG 11 18.400 3.147 9.747 87 H TYR 12 H TYR 12 18.139 -0.697 2.929 88 HA TYR 12 HA TYR 12 20.488 -1.338 4.489 89 HB2 TYR 12 HB2 TYR 12 18.269 -3.019 3.323 90 HB3 TYR 12 HB3 TYR 12 19.638 -3.711 4.187 91 HD1 TYR 12 HD1 TYR 12 20.037 -2.911 6.594 92 HD2 TYR 12 HD2 TYR 12 16.393 -2.265 4.494 93 HE1 TYR 12 HE1 TYR 12 18.875 -2.552 8.732 94 HE2 TYR 12 HE2 TYR 12 15.222 -1.902 6.626 95 HH TYR 12 HH TYR 12 15.379 -1.968 8.847 96 H HIS 13 H HIS 13 22.416 -1.633 3.611 97 HA HIS 13 HA HIS 13 22.770 -1.944 0.786 98 HB2 HIS 13 HB2 HIS 13 24.714 -1.990 3.098 99 HB3 HIS 13 HB3 HIS 13 25.207 -2.140 1.414 100 HD1 HIS 13 HD1 HIS 13 26.039 0.228 3.321 101 HD2 HIS 13 HD2 HIS 13 22.983 0.333 0.509 102 HE1 HIS 13 HE1 HIS 13 25.716 2.660 2.769 103 H ASP 14 H ASP 14 22.759 -4.065 3.557 104 HA ASP 14 HA ASP 14 23.963 -6.293 2.230 105 HB2 ASP 14 HB2 ASP 14 23.089 -5.660 4.874 106 HB3 ASP 14 HB3 ASP 14 22.341 -7.181 4.393 107 H ARG 15 H ARG 15 22.990 -7.141 0.498 108 HA ARG 15 HA ARG 15 20.321 -7.017 -0.189 109 HB2 ARG 15 HB2 ARG 15 20.763 -8.855 -1.732 110 HB3 ARG 15 HB3 ARG 15 22.097 -7.710 -1.736 111 HG2 ARG 15 HG2 ARG 15 23.288 -9.240 -0.146 112 HG3 ARG 15 HG3 ARG 15 22.006 -10.417 -0.435 113 HD2 ARG 15 HD2 ARG 15 22.618 -9.883 -2.963 114 HD3 ARG 15 HD3 ARG 15 24.170 -9.472 -2.235 115 HE ARG 15 HE ARG 15 23.284 -11.985 -1.294 116 HH11 ARG 15 HH11 ARG 15 24.599 -10.436 -4.121 117 HH12 ARG 15 HH12 ARG 15 25.354 -11.876 -4.719 118 HH21 ARG 15 HH21 ARG 15 24.274 -13.887 -2.071 119 HH22 ARG 15 HH22 ARG 15 25.168 -13.839 -3.552 120 H ARG 16 H ARG 16 21.960 -9.295 1.911 121 HA ARG 16 HA ARG 16 19.910 -11.223 2.077 122 HB2 ARG 16 HB2 ARG 16 22.360 -11.372 2.865 123 HB3 ARG 16 HB3 ARG 16 21.794 -10.587 4.334 124 HG2 ARG 16 HG2 ARG 16 20.175 -12.430 4.647 125 HG3 ARG 16 HG3 ARG 16 20.867 -13.231 3.234 126 HD2 ARG 16 HD2 ARG 16 21.783 -14.112 5.334 127 HD3 ARG 16 HD3 ARG 16 23.025 -13.361 4.333 128 HE ARG 16 HE ARG 16 22.072 -11.429 6.102 129 HH11 ARG 16 HH11 ARG 16 23.811 -14.443 6.194 130 HH12 ARG 16 HH12 ARG 16 24.689 -14.043 7.633 131 HH21 ARG 16 HH21 ARG 16 23.222 -10.890 7.997 132 HH22 ARG 16 HH22 ARG 16 24.353 -12.022 8.658 133 H GLU 17 H GLU 17 20.647 -8.377 4.064 134 HA GLU 17 HA GLU 17 18.438 -8.798 5.835 135 HB2 GLU 17 HB2 GLU 17 20.318 -6.489 5.378 136 HB3 GLU 17 HB3 GLU 17 18.984 -6.393 6.520 137 HG2 GLU 17 HG2 GLU 17 20.188 -8.730 7.249 138 HG3 GLU 17 HG3 GLU 17 21.560 -7.744 6.747 139 H LYS 18 H LYS 18 19.011 -6.900 2.937 140 HA LYS 18 HA LYS 18 16.680 -5.312 3.064 141 HB2 LYS 18 HB2 LYS 18 18.495 -4.678 1.609 142 HB3 LYS 18 HB3 LYS 18 18.369 -6.189 0.718 143 HG2 LYS 18 HG2 LYS 18 16.537 -5.509 -0.456 144 HG3 LYS 18 HG3 LYS 18 15.985 -4.421 0.820 145 HD2 LYS 18 HD2 LYS 18 16.734 -2.874 -0.678 146 HD3 LYS 18 HD3 LYS 18 18.237 -3.162 0.202 147 HE2 LYS 18 HE2 LYS 18 17.626 -4.894 -2.135 148 HE3 LYS 18 HE3 LYS 18 18.124 -3.232 -2.444 149 HZ1 LYS 18 HZ1 LYS 18 19.738 -4.693 -0.525 150 HZ2 LYS 18 HZ2 LYS 18 20.212 -3.638 -1.759 151 HZ3 LYS 18 HZ3 LYS 18 19.831 -5.246 -2.121 152 H LYS 19 H LYS 19 17.364 -8.409 1.479 153 HA LYS 19 HA LYS 19 14.959 -8.767 0.142 154 HB2 LYS 19 HB2 LYS 19 17.007 -10.211 -0.036 155 HB3 LYS 19 HB3 LYS 19 16.549 -10.953 1.492 156 HG2 LYS 19 HG2 LYS 19 14.296 -11.421 0.278 157 HG3 LYS 19 HG3 LYS 19 15.253 -11.175 -1.185 158 HD2 LYS 19 HD2 LYS 19 16.580 -13.026 -0.785 159 HD3 LYS 19 HD3 LYS 19 16.257 -13.010 0.950 160 HE2 LYS 19 HE2 LYS 19 14.961 -14.786 0.338 161 HE3 LYS 19 HE3 LYS 19 13.789 -13.485 0.133 162 HZ1 LYS 19 HZ1 LYS 19 13.779 -13.727 -2.087 163 HZ2 LYS 19 HZ2 LYS 19 14.342 -15.285 -1.747 164 HZ3 LYS 19 HZ3 LYS 19 15.433 -14.069 -2.185 165 H GLN 20 H GLN 20 15.760 -9.300 3.521 166 HA GLN 20 HA GLN 20 13.349 -10.661 4.187 167 HB2 GLN 20 HB2 GLN 20 15.527 -10.693 5.493 168 HB3 GLN 20 HB3 GLN 20 15.094 -9.094 6.083 169 HG2 GLN 20 HG2 GLN 20 13.154 -11.334 6.384 170 HG3 GLN 20 HG3 GLN 20 14.535 -11.226 7.475 171 HE21 GLN 20 HE21 GLN 20 11.470 -10.720 7.557 172 HE22 GLN 20 HE22 GLN 20 11.354 -9.247 8.452 173 H CYS 21 H CYS 21 14.367 -7.294 4.198 174 HA CYS 21 HA CYS 21 12.154 -6.254 5.613 175 HB2 CYS 21 HB2 CYS 21 14.118 -4.902 5.393 176 HB3 CYS 21 HB3 CYS 21 14.058 -4.994 3.636 177 H LYS 22 H LYS 22 12.797 -6.604 2.139 178 HA LYS 22 HA LYS 22 10.366 -5.453 1.271 179 HB2 LYS 22 HB2 LYS 22 10.878 -6.554 -0.894 180 HB3 LYS 22 HB3 LYS 22 12.236 -5.644 -0.247 181 HG2 LYS 22 HG2 LYS 22 13.214 -7.741 0.590 182 HG3 LYS 22 HG3 LYS 22 11.872 -8.632 -0.133 183 HD2 LYS 22 HD2 LYS 22 13.827 -6.893 -1.638 184 HD3 LYS 22 HD3 LYS 22 13.887 -8.655 -1.551 185 HE2 LYS 22 HE2 LYS 22 11.620 -8.723 -2.564 186 HE3 LYS 22 HE3 LYS 22 11.692 -6.971 -2.754 187 HZ1 LYS 22 HZ1 LYS 22 13.125 -9.060 -4.213 188 HZ2 LYS 22 HZ2 LYS 22 13.929 -7.594 -3.959 189 HZ3 LYS 22 HZ3 LYS 22 12.450 -7.616 -4.780 190 H GLU 23 H GLU 23 11.329 -8.781 1.971 191 HA GLU 23 HA GLU 23 8.961 -10.016 1.060 192 HB2 GLU 23 HB2 GLU 23 11.237 -11.076 1.661 193 HB3 GLU 23 HB3 GLU 23 10.636 -11.089 3.313 194 HG2 GLU 23 HG2 GLU 23 8.928 -12.598 2.806 195 HG3 GLU 23 HG3 GLU 23 9.072 -12.313 1.073 196 H GLY 24 H GLY 24 9.944 -8.805 4.243 197 HA2 GLY 24 HA2 GLY 24 7.849 -9.718 5.795 198 HA3 GLY 24 HA3 GLY 24 8.687 -8.197 6.067 199 H CYS 25 H CYS 25 7.876 -7.042 3.522 200 HA CYS 25 HA CYS 25 5.427 -5.881 4.351 201 HB2 CYS 25 HB2 CYS 25 7.400 -5.092 2.682 202 HB3 CYS 25 HB3 CYS 25 6.207 -5.631 1.505 203 H ARG 26 H ARG 26 6.261 -8.391 2.032 204 HA ARG 26 HA ARG 26 3.733 -8.589 0.789 205 HB2 ARG 26 HB2 ARG 26 5.698 -10.851 1.137 206 HB3 ARG 26 HB3 ARG 26 4.517 -10.637 -0.148 207 HG2 ARG 26 HG2 ARG 26 6.984 -8.977 0.318 208 HG3 ARG 26 HG3 ARG 26 6.724 -10.150 -0.975 209 HD2 ARG 26 HD2 ARG 26 5.354 -7.504 -0.561 210 HD3 ARG 26 HD3 ARG 26 6.364 -8.005 -1.917 211 HE ARG 26 HE ARG 26 3.570 -8.503 -1.576 212 HH11 ARG 26 HH11 ARG 26 6.504 -9.739 -2.986 213 HH12 ARG 26 HH12 ARG 26 5.687 -10.631 -4.226 214 HH21 ARG 26 HH21 ARG 26 2.483 -9.674 -3.204 215 HH22 ARG 26 HH22 ARG 26 3.400 -10.593 -4.350 216 H TYR 27 H TYR 27 1.876 -9.234 1.634 217 HA TYR 27 HA TYR 27 1.858 -10.711 4.141 218 HB2 TYR 27 HB2 TYR 27 -0.203 -9.201 2.570 219 HB3 TYR 27 HB3 TYR 27 -0.705 -10.341 3.813 220 HD1 TYR 27 HD1 TYR 27 -0.187 -7.006 3.248 221 HD2 TYR 27 HD2 TYR 27 0.843 -10.018 6.071 222 HE1 TYR 27 HE1 TYR 27 0.151 -5.275 4.962 223 HE2 TYR 27 HE2 TYR 27 1.182 -8.295 7.793 224 HH TYR 27 HH TYR 27 0.164 -5.758 8.085 225 H GLY 28 H GLY 28 2.629 -12.723 3.280 226 HA2 GLY 28 HA2 GLY 28 1.185 -14.121 1.247 227 HA3 GLY 28 HA3 GLY 28 2.413 -14.801 2.305 Start of MODEL 10 1 H ALA 1 H ALA 1 5.437 -3.657 -9.534 2 HA ALA 1 HA ALA 1 6.192 -5.285 -7.425 3 HB1 ALA 1 HB1 ALA 1 7.517 -4.045 -9.709 4 HB2 ALA 1 HB2 ALA 1 8.593 -4.329 -8.340 5 HB3 ALA 1 HB3 ALA 1 7.686 -5.669 -9.042 6 H ASP 2 H ASP 2 7.082 -1.878 -7.969 7 HA ASP 2 HA ASP 2 8.530 -1.587 -5.563 8 HB2 ASP 2 HB2 ASP 2 7.251 0.386 -7.446 9 HB3 ASP 2 HB3 ASP 2 8.086 0.908 -5.985 10 H ASP 3 H ASP 3 7.928 -0.203 -3.734 11 HA ASP 3 HA ASP 3 5.133 0.239 -3.203 12 HB2 ASP 3 HB2 ASP 3 5.783 -2.261 -2.667 13 HB3 ASP 3 HB3 ASP 3 6.470 -1.546 -1.211 14 H ARG 4 H ARG 4 4.785 1.292 -1.099 15 HA ARG 4 HA ARG 4 6.677 3.327 -0.643 16 HB2 ARG 4 HB2 ARG 4 4.364 2.426 1.084 17 HB3 ARG 4 HB3 ARG 4 5.251 3.930 1.289 18 HG2 ARG 4 HG2 ARG 4 4.372 4.864 -0.642 19 HG3 ARG 4 HG3 ARG 4 3.925 3.294 -1.313 20 HD2 ARG 4 HD2 ARG 4 2.321 3.126 0.686 21 HD3 ARG 4 HD3 ARG 4 2.588 4.859 0.870 22 HE ARG 4 HE ARG 4 1.872 4.221 -1.799 23 HH11 ARG 4 HH11 ARG 4 0.552 4.585 1.402 24 HH12 ARG 4 HH12 ARG 4 -1.032 5.006 0.842 25 HH21 ARG 4 HH21 ARG 4 -0.210 4.775 -2.549 26 HH22 ARG 4 HH22 ARG 4 -1.465 5.113 -1.405 27 H CYS 5 H CYS 5 5.775 0.511 1.341 28 HA CYS 5 HA CYS 5 7.673 0.981 3.375 29 HB2 CYS 5 HB2 CYS 5 7.259 -1.404 3.987 30 HB3 CYS 5 HB3 CYS 5 5.786 -0.458 3.802 31 H TYR 6 H TYR 6 7.809 -0.794 0.346 32 HA TYR 6 HA TYR 6 10.180 -2.209 0.747 33 HB2 TYR 6 HB2 TYR 6 8.848 -2.746 -1.152 34 HB3 TYR 6 HB3 TYR 6 8.914 -1.094 -1.755 35 HD1 TYR 6 HD1 TYR 6 10.270 -0.748 -3.580 36 HD2 TYR 6 HD2 TYR 6 11.332 -3.790 -0.800 37 HE1 TYR 6 HE1 TYR 6 12.216 -1.329 -4.968 38 HE2 TYR 6 HE2 TYR 6 13.281 -4.378 -2.180 39 HH TYR 6 HH TYR 6 14.723 -2.726 -4.129 40 H ARG 7 H ARG 7 9.631 1.116 -0.267 41 HA ARG 7 HA ARG 7 12.176 1.792 -1.142 42 HB2 ARG 7 HB2 ARG 7 10.017 3.392 0.213 43 HB3 ARG 7 HB3 ARG 7 11.540 4.130 -0.267 44 HG2 ARG 7 HG2 ARG 7 11.067 3.995 -2.492 45 HG3 ARG 7 HG3 ARG 7 10.047 2.568 -2.301 46 HD2 ARG 7 HD2 ARG 7 8.219 3.827 -2.199 47 HD3 ARG 7 HD3 ARG 7 8.902 4.781 -0.884 48 HE ARG 7 HE ARG 7 8.723 5.528 -3.637 49 HH11 ARG 7 HH11 ARG 7 10.580 5.932 -0.720 50 HH12 ARG 7 HH12 ARG 7 11.206 7.481 -1.178 51 HH21 ARG 7 HH21 ARG 7 9.539 7.567 -4.251 52 HH22 ARG 7 HH22 ARG 7 10.612 8.411 -3.186 53 H MET 8 H MET 8 10.914 1.501 2.122 54 HA MET 8 HA MET 8 13.056 2.744 3.472 55 HB2 MET 8 HB2 MET 8 10.763 2.138 4.401 56 HB3 MET 8 HB3 MET 8 11.374 0.499 4.577 57 HG2 MET 8 HG2 MET 8 12.788 1.055 6.282 58 HG3 MET 8 HG3 MET 8 12.942 2.730 5.754 59 HE1 MET 8 HE1 MET 8 11.136 4.317 5.695 60 HE2 MET 8 HE2 MET 8 9.493 3.682 5.786 61 HE3 MET 8 HE3 MET 8 10.151 4.623 7.125 62 H CYS 9 H CYS 9 12.602 -0.473 2.193 63 HA CYS 9 HA CYS 9 14.664 -1.778 3.603 64 HB2 CYS 9 HB2 CYS 9 13.724 -2.426 0.805 65 HB3 CYS 9 HB3 CYS 9 14.475 -3.523 1.960 66 H GLN 10 H GLN 10 14.674 0.333 0.843 67 HA GLN 10 HA GLN 10 17.087 -0.310 -0.358 68 HB2 GLN 10 HB2 GLN 10 15.339 1.403 -1.092 69 HB3 GLN 10 HB3 GLN 10 16.129 2.523 0.009 70 HG2 GLN 10 HG2 GLN 10 17.240 3.067 -1.879 71 HG3 GLN 10 HG3 GLN 10 18.272 1.742 -1.345 72 HE21 GLN 10 HE21 GLN 10 16.562 2.991 -3.892 73 HE22 GLN 10 HE22 GLN 10 16.470 1.579 -4.883 74 H ARG 11 H ARG 11 16.469 1.265 2.667 75 HA ARG 11 HA ARG 11 18.944 2.561 3.021 76 HB2 ARG 11 HB2 ARG 11 18.319 2.856 5.269 77 HB3 ARG 11 HB3 ARG 11 16.798 2.830 4.386 78 HG2 ARG 11 HG2 ARG 11 16.761 0.318 4.970 79 HG3 ARG 11 HG3 ARG 11 17.969 0.748 6.182 80 HD2 ARG 11 HD2 ARG 11 15.315 2.146 5.936 81 HD3 ARG 11 HD3 ARG 11 15.566 0.735 6.963 82 HE ARG 11 HE ARG 11 17.506 2.682 7.559 83 HH11 ARG 11 HH11 ARG 11 14.095 2.078 7.904 84 HH12 ARG 11 HH12 ARG 11 13.938 3.036 9.339 85 HH21 ARG 11 HH21 ARG 11 17.312 3.947 9.448 86 HH22 ARG 11 HH22 ARG 11 15.768 4.100 10.215 87 H TYR 12 H TYR 12 17.993 -0.755 3.280 88 HA TYR 12 HA TYR 12 20.306 -1.540 4.829 89 HB2 TYR 12 HB2 TYR 12 18.072 -3.076 3.509 90 HB3 TYR 12 HB3 TYR 12 19.438 -3.879 4.276 91 HD1 TYR 12 HD1 TYR 12 19.920 -3.122 6.754 92 HD2 TYR 12 HD2 TYR 12 16.186 -2.638 4.773 93 HE1 TYR 12 HE1 TYR 12 18.791 -2.968 8.933 94 HE2 TYR 12 HE2 TYR 12 15.046 -2.482 6.947 95 HH TYR 12 HH TYR 12 15.315 -2.953 9.205 96 H HIS 13 H HIS 13 22.237 -2.008 4.026 97 HA HIS 13 HA HIS 13 22.643 -2.045 1.163 98 HB2 HIS 13 HB2 HIS 13 24.666 -2.401 3.383 99 HB3 HIS 13 HB3 HIS 13 25.017 -2.061 1.691 100 HD1 HIS 13 HD1 HIS 13 25.241 -0.360 4.647 101 HD2 HIS 13 HD2 HIS 13 23.253 0.523 1.107 102 HE1 HIS 13 HE1 HIS 13 24.914 2.134 4.664 103 H ASP 14 H ASP 14 22.571 -4.315 3.807 104 HA ASP 14 HA ASP 14 23.817 -6.466 2.394 105 HB2 ASP 14 HB2 ASP 14 22.858 -5.982 5.042 106 HB3 ASP 14 HB3 ASP 14 22.138 -7.478 4.453 107 H ARG 15 H ARG 15 22.914 -7.300 0.628 108 HA ARG 15 HA ARG 15 20.285 -7.106 -0.184 109 HB2 ARG 15 HB2 ARG 15 22.200 -9.364 -0.798 110 HB3 ARG 15 HB3 ARG 15 20.764 -8.950 -1.724 111 HG2 ARG 15 HG2 ARG 15 22.559 -6.693 -1.398 112 HG3 ARG 15 HG3 ARG 15 23.326 -8.065 -2.199 113 HD2 ARG 15 HD2 ARG 15 21.285 -8.148 -3.700 114 HD3 ARG 15 HD3 ARG 15 20.842 -6.582 -3.022 115 HE ARG 15 HE ARG 15 22.825 -7.085 -4.999 116 HH11 ARG 15 HH11 ARG 15 22.041 -5.029 -2.302 117 HH12 ARG 15 HH12 ARG 15 22.985 -3.694 -2.876 118 HH21 ARG 15 HH21 ARG 15 24.072 -5.336 -5.766 119 HH22 ARG 15 HH22 ARG 15 24.139 -3.870 -4.848 120 H ARG 16 H ARG 16 21.775 -9.463 1.942 121 HA ARG 16 HA ARG 16 19.677 -11.346 1.974 122 HB2 ARG 16 HB2 ARG 16 21.933 -11.843 2.808 123 HB3 ARG 16 HB3 ARG 16 21.699 -10.703 4.127 124 HG2 ARG 16 HG2 ARG 16 21.336 -12.814 5.065 125 HG3 ARG 16 HG3 ARG 16 19.723 -12.141 4.817 126 HD2 ARG 16 HD2 ARG 16 19.305 -14.129 3.852 127 HD3 ARG 16 HD3 ARG 16 20.109 -13.407 2.458 128 HE ARG 16 HE ARG 16 22.133 -14.522 3.907 129 HH11 ARG 16 HH11 ARG 16 19.154 -15.694 2.539 130 HH12 ARG 16 HH12 ARG 16 19.751 -17.299 2.281 131 HH21 ARG 16 HH21 ARG 16 22.932 -16.633 3.572 132 HH22 ARG 16 HH22 ARG 16 21.900 -17.832 2.870 133 H GLU 17 H GLU 17 20.381 -8.550 4.040 134 HA GLU 17 HA GLU 17 18.092 -8.957 5.710 135 HB2 GLU 17 HB2 GLU 17 20.016 -6.662 5.366 136 HB3 GLU 17 HB3 GLU 17 18.649 -6.584 6.469 137 HG2 GLU 17 HG2 GLU 17 19.690 -8.864 7.325 138 HG3 GLU 17 HG3 GLU 17 21.157 -8.148 6.658 139 H LYS 18 H LYS 18 18.830 -6.991 2.889 140 HA LYS 18 HA LYS 18 16.504 -5.390 2.943 141 HB2 LYS 18 HB2 LYS 18 18.516 -4.853 1.609 142 HB3 LYS 18 HB3 LYS 18 18.171 -6.222 0.560 143 HG2 LYS 18 HG2 LYS 18 16.410 -5.178 -0.461 144 HG3 LYS 18 HG3 LYS 18 16.071 -4.149 0.933 145 HD2 LYS 18 HD2 LYS 18 17.011 -2.592 -0.441 146 HD3 LYS 18 HD3 LYS 18 18.478 -3.198 0.332 147 HE2 LYS 18 HE2 LYS 18 18.980 -4.588 -1.533 148 HE3 LYS 18 HE3 LYS 18 17.398 -4.299 -2.254 149 HZ1 LYS 18 HZ1 LYS 18 17.984 -2.045 -2.689 150 HZ2 LYS 18 HZ2 LYS 18 19.231 -3.019 -3.286 151 HZ3 LYS 18 HZ3 LYS 18 19.435 -2.183 -1.830 152 H LYS 19 H LYS 19 17.259 -8.423 1.262 153 HA LYS 19 HA LYS 19 14.910 -8.718 -0.185 154 HB2 LYS 19 HB2 LYS 19 16.956 -10.153 -0.365 155 HB3 LYS 19 HB3 LYS 19 16.467 -10.954 1.122 156 HG2 LYS 19 HG2 LYS 19 14.250 -11.400 -0.153 157 HG3 LYS 19 HG3 LYS 19 15.225 -11.076 -1.589 158 HD2 LYS 19 HD2 LYS 19 16.523 -12.945 -1.294 159 HD3 LYS 19 HD3 LYS 19 16.280 -12.971 0.454 160 HE2 LYS 19 HE2 LYS 19 13.951 -13.692 0.089 161 HE3 LYS 19 HE3 LYS 19 14.248 -13.721 -1.648 162 HZ1 LYS 19 HZ1 LYS 19 14.823 -15.703 0.282 163 HZ2 LYS 19 HZ2 LYS 19 16.254 -15.230 -0.484 164 HZ3 LYS 19 HZ3 LYS 19 14.949 -15.792 -1.402 165 H GLN 20 H GLN 20 15.579 -9.420 3.192 166 HA GLN 20 HA GLN 20 13.143 -10.804 3.696 167 HB2 GLN 20 HB2 GLN 20 15.131 -11.063 5.122 168 HB3 GLN 20 HB3 GLN 20 14.989 -9.384 5.624 169 HG2 GLN 20 HG2 GLN 20 13.178 -9.788 6.961 170 HG3 GLN 20 HG3 GLN 20 12.669 -11.198 6.032 171 HE21 GLN 20 HE21 GLN 20 14.530 -12.940 6.034 172 HE22 GLN 20 HE22 GLN 20 15.108 -13.345 7.611 173 H CYS 21 H CYS 21 14.174 -7.446 3.968 174 HA CYS 21 HA CYS 21 11.886 -6.486 5.317 175 HB2 CYS 21 HB2 CYS 21 13.873 -5.142 5.298 176 HB3 CYS 21 HB3 CYS 21 13.900 -5.106 3.538 177 H LYS 22 H LYS 22 12.726 -6.631 1.872 178 HA LYS 22 HA LYS 22 10.365 -5.394 0.935 179 HB2 LYS 22 HB2 LYS 22 10.992 -6.311 -1.257 180 HB3 LYS 22 HB3 LYS 22 12.364 -5.563 -0.451 181 HG2 LYS 22 HG2 LYS 22 13.214 -7.737 0.188 182 HG3 LYS 22 HG3 LYS 22 11.804 -8.521 -0.528 183 HD2 LYS 22 HD2 LYS 22 13.545 -8.721 -2.118 184 HD3 LYS 22 HD3 LYS 22 12.482 -7.445 -2.716 185 HE2 LYS 22 HE2 LYS 22 14.203 -6.045 -2.774 186 HE3 LYS 22 HE3 LYS 22 14.417 -6.238 -1.035 187 HZ1 LYS 22 HZ1 LYS 22 16.266 -6.896 -2.828 188 HZ2 LYS 22 HZ2 LYS 22 15.473 -8.382 -2.682 189 HZ3 LYS 22 HZ3 LYS 22 16.135 -7.640 -1.314 190 H GLU 23 H GLU 23 11.198 -8.728 1.666 191 HA GLU 23 HA GLU 23 8.990 -9.975 0.458 192 HB2 GLU 23 HB2 GLU 23 11.166 -10.961 1.554 193 HB3 GLU 23 HB3 GLU 23 10.165 -11.036 2.997 194 HG2 GLU 23 HG2 GLU 23 8.983 -12.775 2.242 195 HG3 GLU 23 HG3 GLU 23 8.895 -12.132 0.603 196 H GLY 24 H GLY 24 9.451 -8.685 3.730 197 HA2 GLY 24 HA2 GLY 24 7.113 -9.533 4.931 198 HA3 GLY 24 HA3 GLY 24 7.918 -8.017 5.306 199 H CYS 25 H CYS 25 7.561 -6.921 2.630 200 HA CYS 25 HA CYS 25 4.957 -5.797 3.015 201 HB2 CYS 25 HB2 CYS 25 7.021 -5.460 0.834 202 HB3 CYS 25 HB3 CYS 25 5.495 -4.582 0.866 203 H ARG 26 H ARG 26 6.376 -8.160 0.837 204 HA ARG 26 HA ARG 26 4.230 -8.329 -0.986 205 HB2 ARG 26 HB2 ARG 26 6.466 -9.222 -1.471 206 HB3 ARG 26 HB3 ARG 26 6.257 -10.436 -0.216 207 HG2 ARG 26 HG2 ARG 26 5.671 -11.708 -1.982 208 HG3 ARG 26 HG3 ARG 26 4.094 -10.976 -1.682 209 HD2 ARG 26 HD2 ARG 26 4.244 -9.579 -3.497 210 HD3 ARG 26 HD3 ARG 26 6.007 -9.562 -3.471 211 HE ARG 26 HE ARG 26 4.306 -11.445 -4.834 212 HH11 ARG 26 HH11 ARG 26 7.470 -10.852 -3.510 213 HH12 ARG 26 HH12 ARG 26 8.254 -12.024 -4.516 214 HH21 ARG 26 HH21 ARG 26 5.326 -12.991 -6.165 215 HH22 ARG 26 HH22 ARG 26 7.034 -13.240 -6.027 216 H TYR 27 H TYR 27 5.108 -10.528 1.686 217 HA TYR 27 HA TYR 27 2.300 -10.925 2.297 218 HB2 TYR 27 HB2 TYR 27 4.028 -13.016 1.054 219 HB3 TYR 27 HB3 TYR 27 2.881 -13.513 2.293 220 HD1 TYR 27 HD1 TYR 27 3.308 -13.187 -1.123 221 HD2 TYR 27 HD2 TYR 27 0.441 -12.390 1.918 222 HE1 TYR 27 HE1 TYR 27 1.518 -13.228 -2.809 223 HE2 TYR 27 HE2 TYR 27 -1.358 -12.430 0.241 224 HH TYR 27 HH TYR 27 -1.173 -13.756 -2.624 225 H GLY 28 H GLY 28 2.428 -10.339 4.384 226 HA2 GLY 28 HA2 GLY 28 3.909 -12.058 6.188 227 HA3 GLY 28 HA3 GLY 28 4.444 -10.384 6.163
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