NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575295 | 2rty | 11535 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H PHE 1 1.807 0.001 0.856 2 HA PHE 1 HA PHE 1 1.596 0.659 -1.936 3 HB2 PHE 1 2HB PHE 1 3.971 -0.075 -0.214 4 HB3 PHE 1 3HB PHE 1 4.088 0.418 -1.900 5 HD1 PHE 1 HD2 PHE 1 2.757 2.698 -2.400 6 HD2 PHE 1 HD1 PHE 1 4.371 1.531 1.362 7 HE1 PHE 1 HE2 PHE 1 2.834 5.057 -1.705 8 HE2 PHE 1 HE1 PHE 1 4.450 3.888 2.063 9 HZ PHE 1 HZ PHE 1 3.682 5.655 0.529 10 H SER 2 H SER 2 1.945 -0.645 -3.686 11 HA SER 2 HA SER 2 2.960 -3.285 -3.543 12 HB2 SER 2 2HB SER 2 0.668 -4.301 -4.311 13 HB3 SER 2 3HB SER 2 0.996 -4.086 -2.592 14 HG SER 2 HG SER 2 -1.039 -3.264 -3.070 15 H CYS 3 H CYS 3 3.994 -3.356 -5.416 16 HA CYS 3 HA CYS 3 3.334 -1.770 -7.658 17 HB2 CYS 3 2HB CYS 3 5.596 -2.886 -6.961 18 HB3 CYS 3 3HB CYS 3 4.998 -4.253 -7.894 19 H ASP 4 H ASP 4 1.245 -2.140 -8.337 20 HA ASP 4 HA ASP 4 0.379 -4.826 -8.994 21 HB2 ASP 4 2HB ASP 4 -0.889 -2.181 -8.709 22 HB3 ASP 4 3HB ASP 4 -1.576 -3.198 -9.973 23 H HIS 5 H HIS 5 0.488 -5.747 -10.938 24 HA HIS 5 HA HIS 5 1.923 -4.590 -13.057 25 HB2 HIS 5 2HB HIS 5 0.183 -7.028 -12.819 26 HB3 HIS 5 3HB HIS 5 0.851 -6.553 -14.378 27 HD1 HIS 5 HD1 HIS 5 2.412 -8.562 -14.565 28 HD2 HIS 5 HD2 HIS 5 3.022 -6.306 -11.130 29 HE1 HIS 5 HE1 HIS 5 4.568 -9.405 -13.580 30 H SER 6 H SER 6 -1.503 -4.726 -12.344 31 HA SER 6 HA SER 6 -2.477 -3.963 -14.873 32 HB2 SER 6 2HB SER 6 -3.644 -3.570 -12.109 33 HB3 SER 6 3HB SER 6 -4.520 -3.247 -13.605 34 HG SER 6 HG SER 6 -4.920 -5.355 -12.757 35 H ALA 7 H ALA 7 -1.922 -1.994 -11.952 36 HA ALA 7 HA ALA 7 -2.559 0.488 -12.975 37 HB1 ALA 7 1HB ALA 7 -1.016 1.408 -11.260 38 HB2 ALA 7 2HB ALA 7 -2.132 0.194 -10.632 39 HB3 ALA 7 3HB ALA 7 -0.450 -0.233 -10.947 40 H CYS 8 H CYS 8 0.639 -1.082 -12.965 41 HA CYS 8 HA CYS 8 1.977 0.975 -14.351 42 HB2 CYS 8 2HB CYS 8 3.018 -0.921 -13.014 43 HB3 CYS 8 3HB CYS 8 2.726 -1.948 -14.414 44 H ALA 9 H ALA 9 0.509 -2.056 -15.479 45 HA ALA 9 HA ALA 9 1.205 -1.967 -18.146 46 HB1 ALA 9 1HB ALA 9 0.036 -3.845 -17.070 47 HB2 ALA 9 2HB ALA 9 -1.444 -2.886 -17.036 48 HB3 ALA 9 3HB ALA 9 -0.731 -3.354 -18.580 49 H VAL 10 H VAL 10 -1.633 -0.481 -16.597 50 HA VAL 10 HA VAL 10 -2.622 0.701 -18.985 51 HB VAL 10 HB VAL 10 -3.171 1.495 -16.122 52 HG11 VAL 10 1HG1 VAL 10 -4.631 2.103 -18.689 53 HG12 VAL 10 2HG1 VAL 10 -5.275 2.414 -17.075 54 HG13 VAL 10 3HG1 VAL 10 -3.823 3.253 -17.624 55 HG21 VAL 10 3HG2 VAL 10 -3.900 -0.841 -17.608 56 HG22 VAL 10 1HG2 VAL 10 -4.284 -0.417 -15.940 57 HG23 VAL 10 2HG2 VAL 10 -5.344 0.105 -17.249 58 H ARG 11 H ARG 11 -0.789 2.000 -16.227 59 HA ARG 11 HA ARG 11 -0.619 4.645 -17.112 60 HB2 ARG 11 2HB ARG 11 -0.013 3.788 -14.828 61 HB3 ARG 11 3HB ARG 11 1.482 3.171 -15.520 62 HG2 ARG 11 2HG ARG 11 2.392 5.252 -15.768 63 HG3 ARG 11 3HG ARG 11 0.821 6.042 -15.913 64 HD2 ARG 11 2HD ARG 11 1.344 6.720 -13.811 65 HD3 ARG 11 3HD ARG 11 0.603 5.172 -13.407 66 HE ARG 11 HE ARG 11 3.213 4.543 -13.747 67 HH11 ARG 11 1HH1 ARG 11 1.552 6.936 -11.841 68 HH12 ARG 11 2HH1 ARG 11 2.747 6.954 -10.586 69 HH21 ARG 11 1HH2 ARG 11 4.792 4.558 -12.102 70 HH22 ARG 11 2HH2 ARG 11 4.590 5.602 -10.736 71 H CYS 12 H CYS 12 0.974 1.806 -18.216 72 HA CYS 12 HA CYS 12 3.135 3.244 -19.510 73 HB2 CYS 12 2HB CYS 12 2.348 0.346 -19.333 74 HB3 CYS 12 3HB CYS 12 3.571 0.886 -20.480 75 H LEU 13 H LEU 13 0.346 1.279 -20.528 76 HA LEU 13 HA LEU 13 0.657 1.703 -23.288 77 HB2 LEU 13 2HB LEU 13 -1.246 0.508 -23.524 78 HB3 LEU 13 3HB LEU 13 -0.897 0.100 -21.845 79 HG LEU 13 HG LEU 13 -2.441 2.215 -21.405 80 HD11 LEU 13 1HD1 LEU 13 -3.475 2.998 -23.201 81 HD12 LEU 13 2HD1 LEU 13 -4.258 1.431 -23.406 82 HD13 LEU 13 3HD1 LEU 13 -2.725 1.762 -24.213 83 HD21 LEU 13 3HD2 LEU 13 -3.854 0.695 -20.565 84 HD22 LEU 13 1HD2 LEU 13 -2.678 -0.492 -21.129 85 HD23 LEU 13 2HD2 LEU 13 -4.079 -0.098 -22.125 86 H ALA 14 H ALA 14 -0.677 3.679 -20.778 87 HA ALA 14 HA ALA 14 -2.131 5.419 -22.561 88 HB1 ALA 14 1HB ALA 14 -3.142 5.421 -20.508 89 HB2 ALA 14 2HB ALA 14 -1.614 5.331 -19.631 90 HB3 ALA 14 3HB ALA 14 -2.125 6.854 -20.358 91 H GLN 15 H GLN 15 1.077 5.196 -21.306 92 HA GLN 15 HA GLN 15 1.698 7.961 -21.999 93 HB2 GLN 15 2HB GLN 15 2.829 5.959 -20.234 94 HB3 GLN 15 3HB GLN 15 4.064 6.669 -21.265 95 HG2 GLN 15 2HG GLN 15 3.166 8.925 -20.542 96 HG3 GLN 15 3HG GLN 15 2.256 8.051 -19.311 97 HE21 GLN 15 1HE2 GLN 15 3.846 6.265 -18.288 98 HE22 GLN 15 2HE2 GLN 15 5.297 6.952 -17.651 99 H ARG 16 H ARG 16 1.101 5.630 -23.908 100 HA ARG 16 HA ARG 16 1.745 5.006 -25.999 101 HB2 ARG 16 2HB ARG 16 3.804 7.207 -25.851 102 HB3 ARG 16 3HB ARG 16 3.092 6.499 -27.294 103 HG2 ARG 16 2HG ARG 16 1.664 8.188 -25.251 104 HG3 ARG 16 3HG ARG 16 2.164 8.693 -26.866 105 HD2 ARG 16 2HD ARG 16 0.671 6.334 -27.197 106 HD3 ARG 16 3HD ARG 16 -0.220 7.326 -26.044 107 HE ARG 16 HE ARG 16 0.664 8.772 -28.363 108 HH11 ARG 16 1HH1 ARG 16 -1.840 6.749 -27.037 109 HH12 ARG 16 2HH1 ARG 16 -3.062 7.328 -28.121 110 HH21 ARG 16 1HH2 ARG 16 -0.936 9.542 -29.795 111 HH22 ARG 16 2HH2 ARG 16 -2.547 8.915 -29.690 112 H ARG 17 H ARG 17 2.711 3.392 -24.136 113 HA ARG 17 HA ARG 17 5.433 2.802 -25.075 114 HB2 ARG 17 2HB ARG 17 4.528 2.352 -22.232 115 HB3 ARG 17 3HB ARG 17 6.154 2.190 -22.880 116 HG2 ARG 17 2HG ARG 17 4.638 4.785 -22.720 117 HG3 ARG 17 3HG ARG 17 5.811 4.231 -21.524 118 HD2 ARG 17 2HD ARG 17 6.549 4.416 -24.420 119 HD3 ARG 17 3HD ARG 17 6.578 5.849 -23.394 120 HE ARG 17 HE ARG 17 8.000 3.768 -22.142 121 HH11 ARG 17 1HH1 ARG 17 8.233 5.957 -24.838 122 HH12 ARG 17 2HH1 ARG 17 9.965 5.982 -24.836 123 HH21 ARG 17 1HH2 ARG 17 10.280 3.792 -22.129 124 HH22 ARG 17 2HH2 ARG 17 11.129 4.750 -23.295 125 H LYS 18 H LYS 18 2.512 1.825 -25.456 126 HA LYS 18 HA LYS 18 1.410 -0.144 -25.778 127 HB2 LYS 18 2HB LYS 18 3.786 -0.297 -27.071 128 HB3 LYS 18 3HB LYS 18 3.910 -1.703 -26.022 129 HG2 LYS 18 2HG LYS 18 2.747 -2.825 -27.534 130 HG3 LYS 18 3HG LYS 18 1.347 -1.844 -27.094 131 HD2 LYS 18 2HD LYS 18 1.552 -1.627 -29.430 132 HD3 LYS 18 3HD LYS 18 2.213 -0.133 -28.764 133 HE2 LYS 18 2HE LYS 18 4.412 -1.768 -28.861 134 HE3 LYS 18 3HE LYS 18 3.517 -2.248 -30.303 135 HZ1 LYS 18 3HZ LYS 18 4.575 0.425 -29.610 136 HZ2 LYS 18 1HZ LYS 18 3.374 0.224 -30.784 137 HZ3 LYS 18 2HZ LYS 18 4.886 -0.505 -30.988 138 H GLY 19 H GLY 19 2.188 0.526 -23.034 139 HA2 GLY 19 2HA GLY 19 1.701 -0.521 -21.016 140 HA3 GLY 19 3HA GLY 19 1.630 -2.059 -21.863 141 H GLY 20 H GLY 20 2.785 -2.335 -19.577 142 HA2 GLY 20 2HA GLY 20 5.552 -2.853 -20.238 143 HA3 GLY 20 3HA GLY 20 5.330 -1.644 -18.982 144 H LYS 21 H LYS 21 6.256 -2.855 -17.352 145 HA LYS 21 HA LYS 21 4.516 -4.777 -16.110 146 HB2 LYS 21 2HB LYS 21 6.376 -6.508 -15.947 147 HB3 LYS 21 3HB LYS 21 5.570 -6.366 -17.503 148 HG2 LYS 21 2HG LYS 21 7.904 -4.641 -17.267 149 HG3 LYS 21 3HG LYS 21 8.279 -6.356 -17.084 150 HD2 LYS 21 2HD LYS 21 6.643 -6.483 -19.206 151 HD3 LYS 21 3HD LYS 21 7.299 -4.861 -19.442 152 HE2 LYS 21 2HE LYS 21 8.968 -5.939 -20.492 153 HE3 LYS 21 3HE LYS 21 9.551 -6.257 -18.859 154 HZ1 LYS 21 3HZ LYS 21 9.538 -8.351 -19.732 155 HZ2 LYS 21 1HZ LYS 21 8.208 -8.064 -20.737 156 HZ3 LYS 21 2HZ LYS 21 7.978 -8.311 -19.080 157 H CYS 22 H CYS 22 5.310 -5.439 -13.968 158 HA CYS 22 HA CYS 22 6.870 -3.274 -12.764 159 HB2 CYS 22 2HB CYS 22 4.563 -4.759 -11.965 160 HB3 CYS 22 3HB CYS 22 5.840 -5.039 -10.786 161 H LYS 23 H LYS 23 8.716 -3.606 -11.594 162 HA LYS 23 HA LYS 23 9.738 -6.357 -11.423 163 HB2 LYS 23 2HB LYS 23 10.682 -4.809 -13.333 164 HB3 LYS 23 3HB LYS 23 11.618 -4.108 -12.020 165 HG2 LYS 23 2HG LYS 23 12.711 -6.157 -11.578 166 HG3 LYS 23 3HG LYS 23 11.590 -7.055 -12.605 167 HD2 LYS 23 2HD LYS 23 12.529 -6.218 -14.568 168 HD3 LYS 23 3HD LYS 23 13.291 -4.860 -13.736 169 HE2 LYS 23 2HE LYS 23 15.047 -6.339 -14.231 170 HE3 LYS 23 3HE LYS 23 14.697 -6.598 -12.523 171 HZ1 LYS 23 3HZ LYS 23 14.999 -8.679 -13.762 172 HZ2 LYS 23 1HZ LYS 23 13.669 -8.292 -14.734 173 HZ3 LYS 23 2HZ LYS 23 13.456 -8.564 -13.079 174 H ASN 24 H ASN 24 9.322 -6.473 -9.226 175 HA ASN 24 HA ASN 24 9.634 -6.154 -6.993 176 HB2 ASN 24 2HB ASN 24 12.028 -6.612 -7.993 177 HB3 ASN 24 3HB ASN 24 12.311 -4.933 -7.542 178 HD21 ASN 24 1HD2 ASN 24 12.333 -4.356 -5.378 179 HD22 ASN 24 2HD2 ASN 24 12.463 -5.527 -4.114 180 H GLY 25 H GLY 25 8.381 -3.997 -8.440 181 HA2 GLY 25 2HA GLY 25 7.477 -2.084 -7.241 182 HA3 GLY 25 3HA GLY 25 9.094 -1.783 -6.623 183 H ASP 26 H ASP 26 10.401 -2.229 -9.180 184 HA ASP 26 HA ASP 26 10.127 0.421 -10.230 185 HB2 ASP 26 2HB ASP 26 11.788 -1.945 -11.113 186 HB3 ASP 26 3HB ASP 26 11.868 -0.358 -11.872 187 H CYS 27 H CYS 27 8.441 0.940 -11.461 188 HA CYS 27 HA CYS 27 7.102 -1.005 -13.112 189 HB2 CYS 27 2HB CYS 27 5.793 0.704 -11.973 190 HB3 CYS 27 3HB CYS 27 6.687 1.976 -12.801 191 H VAL 28 H VAL 28 8.347 -1.658 -14.796 192 HA VAL 28 HA VAL 28 9.738 0.303 -16.435 193 HB VAL 28 HB VAL 28 9.577 -2.683 -16.849 194 HG11 VAL 28 1HG1 VAL 28 11.955 -1.915 -17.853 195 HG12 VAL 28 2HG1 VAL 28 10.476 -2.014 -18.810 196 HG13 VAL 28 3HG1 VAL 28 11.005 -0.461 -18.161 197 HG21 VAL 28 3HG2 VAL 28 11.268 -1.030 -15.044 198 HG22 VAL 28 1HG2 VAL 28 10.603 -2.646 -14.806 199 HG23 VAL 28 2HG2 VAL 28 12.007 -2.414 -15.849 200 H CYS 29 H CYS 29 9.137 0.954 -18.428 201 HA CYS 29 HA CYS 29 6.629 -0.161 -19.502 202 HB2 CYS 29 2HB CYS 29 7.728 2.641 -19.512 203 HB3 CYS 29 3HB CYS 29 6.502 2.137 -20.671 204 H ARG 30 H ARG 30 6.817 -1.245 -21.338 205 HA ARG 30 HA ARG 30 8.856 -0.428 -23.282 206 HB2 ARG 30 2HB ARG 30 8.350 -3.291 -22.450 207 HB3 ARG 30 3HB ARG 30 9.469 -2.759 -23.698 208 HG2 ARG 30 2HG ARG 30 10.544 -1.383 -21.772 209 HG3 ARG 30 3HG ARG 30 9.691 -2.527 -20.734 210 HD2 ARG 30 2HD ARG 30 10.828 -4.189 -22.567 211 HD3 ARG 30 3HD ARG 30 12.040 -2.915 -22.447 212 HE ARG 30 HE ARG 30 11.339 -3.608 -19.856 213 HH11 ARG 30 1HH1 ARG 30 12.797 -5.122 -22.631 214 HH12 ARG 30 2HH1 ARG 30 13.756 -6.218 -21.692 215 HH21 ARG 30 1HH2 ARG 30 12.597 -5.044 -18.609 216 HH22 ARG 30 2HH2 ARG 30 13.641 -6.173 -19.404 Start of MODEL 2 1 H1 PHE 1 H PHE 1 2.498 -1.776 0.820 2 HA PHE 1 HA PHE 1 1.273 -1.079 -1.754 3 HB2 PHE 1 2HB PHE 1 3.492 -0.584 -2.701 4 HB3 PHE 1 3HB PHE 1 3.089 0.518 -1.389 5 HD1 PHE 1 HD1 PHE 1 4.125 0.162 0.861 6 HD2 PHE 1 HD2 PHE 1 5.401 -1.949 -2.608 7 HE1 PHE 1 HE1 PHE 1 6.236 -0.410 1.989 8 HE2 PHE 1 HE2 PHE 1 7.513 -2.525 -1.486 9 HZ PHE 1 HZ PHE 1 7.932 -1.756 0.816 10 H SER 2 H SER 2 1.883 -2.480 -3.513 11 HA SER 2 HA SER 2 3.322 -4.916 -2.894 12 HB2 SER 2 2HB SER 2 0.787 -5.101 -2.210 13 HB3 SER 2 3HB SER 2 0.545 -5.309 -3.945 14 HG SER 2 HG SER 2 0.891 -7.286 -2.714 15 H CYS 3 H CYS 3 3.466 -2.622 -4.762 16 HA CYS 3 HA CYS 3 3.934 -2.186 -6.946 17 HB2 CYS 3 2HB CYS 3 5.494 -4.158 -6.375 18 HB3 CYS 3 3HB CYS 3 4.376 -5.140 -7.317 19 H ASP 4 H ASP 4 1.821 -1.581 -7.518 20 HA ASP 4 HA ASP 4 -0.103 -3.493 -8.430 21 HB2 ASP 4 2HB ASP 4 0.011 -0.484 -8.728 22 HB3 ASP 4 3HB ASP 4 -1.370 -1.481 -9.179 23 H HIS 5 H HIS 5 0.510 -4.681 -10.154 24 HA HIS 5 HA HIS 5 2.007 -3.646 -12.342 25 HB2 HIS 5 2HB HIS 5 2.172 -5.989 -11.850 26 HB3 HIS 5 3HB HIS 5 0.430 -6.199 -11.995 27 HD1 HIS 5 HD1 HIS 5 0.337 -7.795 -13.927 28 HD2 HIS 5 HD2 HIS 5 2.685 -4.462 -14.724 29 HE1 HIS 5 HE1 HIS 5 0.902 -7.940 -16.373 30 H SER 6 H SER 6 -1.384 -3.914 -11.621 31 HA SER 6 HA SER 6 -2.405 -3.670 -14.237 32 HB2 SER 6 2HB SER 6 -3.547 -3.030 -11.521 33 HB3 SER 6 3HB SER 6 -4.464 -2.757 -13.002 34 HG SER 6 HG SER 6 -3.708 -5.119 -13.365 35 H ALA 7 H ALA 7 -2.104 -1.185 -11.693 36 HA ALA 7 HA ALA 7 -2.848 1.019 -13.178 37 HB1 ALA 7 1HB ALA 7 -2.579 1.800 -11.108 38 HB2 ALA 7 2HB ALA 7 -1.405 0.548 -10.700 39 HB3 ALA 7 3HB ALA 7 -0.879 2.014 -11.527 40 H CYS 8 H CYS 8 0.419 -0.330 -12.773 41 HA CYS 8 HA CYS 8 1.740 1.565 -14.382 42 HB2 CYS 8 2HB CYS 8 2.493 -1.301 -13.769 43 HB3 CYS 8 3HB CYS 8 3.571 -0.101 -14.477 44 H ALA 9 H ALA 9 0.485 -1.673 -15.139 45 HA ALA 9 HA ALA 9 1.291 -1.893 -17.767 46 HB1 ALA 9 1HB ALA 9 -1.230 -2.870 -16.441 47 HB2 ALA 9 2HB ALA 9 -0.740 -3.333 -18.071 48 HB3 ALA 9 3HB ALA 9 0.275 -3.756 -16.692 49 H VAL 10 H VAL 10 -1.697 -0.405 -16.535 50 HA VAL 10 HA VAL 10 -2.648 0.384 -19.095 51 HB VAL 10 HB VAL 10 -3.368 1.476 -16.371 52 HG11 VAL 10 1HG1 VAL 10 -5.558 1.935 -17.763 53 HG12 VAL 10 2HG1 VAL 10 -4.221 3.088 -17.756 54 HG13 VAL 10 3HG1 VAL 10 -4.420 1.974 -19.110 55 HG21 VAL 10 3HG2 VAL 10 -4.824 -0.575 -18.031 56 HG22 VAL 10 1HG2 VAL 10 -3.738 -0.971 -16.699 57 HG23 VAL 10 2HG2 VAL 10 -5.211 -0.052 -16.392 58 H ARG 11 H ARG 11 -1.020 2.154 -16.473 59 HA ARG 11 HA ARG 11 -0.971 4.664 -17.700 60 HB2 ARG 11 2HB ARG 11 -0.431 4.226 -15.312 61 HB3 ARG 11 3HB ARG 11 1.095 3.513 -15.818 62 HG2 ARG 11 2HG ARG 11 1.886 5.602 -16.645 63 HG3 ARG 11 3HG ARG 11 0.301 6.348 -16.427 64 HD2 ARG 11 2HD ARG 11 1.408 7.102 -14.558 65 HD3 ARG 11 3HD ARG 11 0.638 5.643 -13.934 66 HE ARG 11 HE ARG 11 2.711 4.735 -13.622 67 HH11 ARG 11 1HH1 ARG 11 2.979 7.431 -15.808 68 HH12 ARG 11 2HH1 ARG 11 4.711 7.399 -15.842 69 HH21 ARG 11 1HH2 ARG 11 4.991 4.683 -13.658 70 HH22 ARG 11 2HH2 ARG 11 5.854 5.835 -14.619 71 H CYS 12 H CYS 12 0.837 1.814 -18.353 72 HA CYS 12 HA CYS 12 2.962 3.207 -19.752 73 HB2 CYS 12 2HB CYS 12 2.344 0.313 -19.215 74 HB3 CYS 12 3HB CYS 12 3.582 0.775 -20.379 75 H LEU 13 H LEU 13 0.345 0.945 -20.595 76 HA LEU 13 HA LEU 13 0.750 1.020 -23.374 77 HB2 LEU 13 2HB LEU 13 -1.065 -0.318 -23.514 78 HB3 LEU 13 3HB LEU 13 -0.767 -0.476 -21.784 79 HG LEU 13 HG LEU 13 -2.453 1.573 -21.689 80 HD11 LEU 13 1HD1 LEU 13 -3.454 2.040 -23.608 81 HD12 LEU 13 2HD1 LEU 13 -4.128 0.411 -23.630 82 HD13 LEU 13 3HD1 LEU 13 -2.584 0.737 -24.418 83 HD21 LEU 13 3HD2 LEU 13 -3.809 0.088 -20.704 84 HD22 LEU 13 1HD2 LEU 13 -2.538 -1.082 -21.056 85 HD23 LEU 13 2HD2 LEU 13 -3.913 -0.920 -22.148 86 H ALA 14 H ALA 14 -0.809 3.219 -21.203 87 HA ALA 14 HA ALA 14 -2.285 4.608 -23.254 88 HB1 ALA 14 1HB ALA 14 -2.740 4.396 -20.659 89 HB2 ALA 14 2HB ALA 14 -1.760 5.862 -20.613 90 HB3 ALA 14 3HB ALA 14 -3.239 5.819 -21.573 91 H GLN 15 H GLN 15 0.871 4.765 -21.867 92 HA GLN 15 HA GLN 15 1.355 7.448 -22.905 93 HB2 GLN 15 2HB GLN 15 2.526 5.776 -20.847 94 HB3 GLN 15 3HB GLN 15 3.760 6.423 -21.920 95 HG2 GLN 15 2HG GLN 15 2.694 8.691 -21.540 96 HG3 GLN 15 3HG GLN 15 1.788 7.929 -20.234 97 HE21 GLN 15 1HE2 GLN 15 2.806 7.420 -18.346 98 HE22 GLN 15 2HE2 GLN 15 4.429 7.887 -17.983 99 H ARG 16 H ARG 16 0.984 4.851 -24.502 100 HA ARG 16 HA ARG 16 1.756 3.999 -26.465 101 HB2 ARG 16 2HB ARG 16 3.665 6.336 -26.537 102 HB3 ARG 16 3HB ARG 16 3.076 5.391 -27.899 103 HG2 ARG 16 2HG ARG 16 0.832 6.266 -27.556 104 HG3 ARG 16 3HG ARG 16 1.396 7.188 -26.162 105 HD2 ARG 16 2HD ARG 16 3.053 8.279 -27.755 106 HD3 ARG 16 3HD ARG 16 2.108 7.559 -29.058 107 HE ARG 16 HE ARG 16 0.318 8.914 -27.443 108 HH11 ARG 16 1HH1 ARG 16 3.093 9.677 -29.401 109 HH12 ARG 16 2HH1 ARG 16 2.550 11.279 -29.778 110 HH21 ARG 16 1HH2 ARG 16 -0.408 11.020 -27.931 111 HH22 ARG 16 2HH2 ARG 16 0.559 12.042 -28.940 112 H ARG 17 H ARG 17 2.734 2.713 -24.368 113 HA ARG 17 HA ARG 17 5.526 2.184 -25.121 114 HB2 ARG 17 2HB ARG 17 4.518 2.065 -22.278 115 HB3 ARG 17 3HB ARG 17 6.178 1.906 -22.834 116 HG2 ARG 17 2HG ARG 17 4.508 4.405 -23.017 117 HG3 ARG 17 3HG ARG 17 5.752 4.083 -21.808 118 HD2 ARG 17 2HD ARG 17 6.976 3.604 -24.271 119 HD3 ARG 17 3HD ARG 17 6.018 5.065 -24.508 120 HE ARG 17 HE ARG 17 7.433 6.192 -23.093 121 HH11 ARG 17 1HH1 ARG 17 8.012 2.768 -22.839 122 HH12 ARG 17 2HH1 ARG 17 9.447 2.949 -21.886 123 HH21 ARG 17 1HH2 ARG 17 9.321 6.443 -21.837 124 HH22 ARG 17 2HH2 ARG 17 10.190 5.040 -21.315 125 H LYS 18 H LYS 18 2.688 0.975 -25.470 126 HA LYS 18 HA LYS 18 1.721 -1.087 -25.563 127 HB2 LYS 18 2HB LYS 18 4.558 -2.119 -25.606 128 HB3 LYS 18 3HB LYS 18 3.132 -2.878 -26.302 129 HG2 LYS 18 2HG LYS 18 2.993 -0.753 -27.758 130 HG3 LYS 18 3HG LYS 18 4.673 -0.509 -27.277 131 HD2 LYS 18 2HD LYS 18 4.870 -3.045 -28.007 132 HD3 LYS 18 3HD LYS 18 3.467 -2.622 -28.991 133 HE2 LYS 18 2HE LYS 18 4.813 -0.651 -29.825 134 HE3 LYS 18 3HE LYS 18 6.211 -1.384 -29.039 135 HZ1 LYS 18 3HZ LYS 18 5.218 -3.434 -30.469 136 HZ2 LYS 18 1HZ LYS 18 6.468 -2.418 -30.987 137 HZ3 LYS 18 2HZ LYS 18 4.879 -2.125 -31.486 138 H GLY 19 H GLY 19 2.337 -0.010 -22.908 139 HA2 GLY 19 2HA GLY 19 1.824 -0.810 -20.786 140 HA3 GLY 19 3HA GLY 19 1.883 -2.449 -21.420 141 H GLY 20 H GLY 20 2.950 -2.298 -19.061 142 HA2 GLY 20 2HA GLY 20 5.820 -2.533 -19.582 143 HA3 GLY 20 3HA GLY 20 5.316 -1.434 -18.307 144 H LYS 21 H LYS 21 6.398 -2.636 -16.724 145 HA LYS 21 HA LYS 21 4.838 -4.784 -15.620 146 HB2 LYS 21 2HB LYS 21 6.805 -6.355 -15.501 147 HB3 LYS 21 3HB LYS 21 6.107 -6.150 -17.102 148 HG2 LYS 21 2HG LYS 21 8.198 -4.229 -16.685 149 HG3 LYS 21 3HG LYS 21 8.784 -5.860 -16.352 150 HD2 LYS 21 2HD LYS 21 7.303 -5.058 -18.855 151 HD3 LYS 21 3HD LYS 21 9.061 -5.152 -18.724 152 HE2 LYS 21 2HE LYS 21 8.975 -7.326 -19.165 153 HE3 LYS 21 3HE LYS 21 7.985 -7.579 -17.728 154 HZ1 LYS 21 3HZ LYS 21 6.514 -8.307 -19.247 155 HZ2 LYS 21 1HZ LYS 21 7.195 -7.424 -20.518 156 HZ3 LYS 21 2HZ LYS 21 6.157 -6.663 -19.421 157 H CYS 22 H CYS 22 5.665 -5.476 -13.493 158 HA CYS 22 HA CYS 22 6.700 -3.197 -12.051 159 HB2 CYS 22 2HB CYS 22 4.884 -5.101 -11.403 160 HB3 CYS 22 3HB CYS 22 6.320 -5.759 -10.624 161 H LYS 23 H LYS 23 8.683 -2.961 -11.180 162 HA LYS 23 HA LYS 23 10.593 -5.175 -11.557 163 HB2 LYS 23 2HB LYS 23 11.157 -3.374 -13.048 164 HB3 LYS 23 3HB LYS 23 11.024 -2.192 -11.753 165 HG2 LYS 23 2HG LYS 23 13.038 -2.787 -10.816 166 HG3 LYS 23 3HG LYS 23 13.003 -4.409 -11.512 167 HD2 LYS 23 2HD LYS 23 13.342 -3.396 -13.754 168 HD3 LYS 23 3HD LYS 23 13.506 -1.819 -12.978 169 HE2 LYS 23 2HE LYS 23 15.386 -2.799 -11.627 170 HE3 LYS 23 3HE LYS 23 15.289 -4.226 -12.658 171 HZ1 LYS 23 3HZ LYS 23 16.034 -3.060 -14.488 172 HZ2 LYS 23 1HZ LYS 23 16.951 -2.372 -13.244 173 HZ3 LYS 23 2HZ LYS 23 15.604 -1.552 -13.853 174 H ASN 24 H ASN 24 10.166 -5.991 -9.461 175 HA ASN 24 HA ASN 24 10.422 -6.193 -7.206 176 HB2 ASN 24 2HB ASN 24 12.844 -5.568 -8.259 177 HB3 ASN 24 3HB ASN 24 12.658 -4.263 -7.091 178 HD21 ASN 24 1HD2 ASN 24 11.299 -5.515 -5.077 179 HD22 ASN 24 2HD2 ASN 24 12.293 -6.746 -4.383 180 H GLY 25 H GLY 25 8.538 -4.257 -7.969 181 HA2 GLY 25 2HA GLY 25 7.268 -3.001 -6.326 182 HA3 GLY 25 3HA GLY 25 8.791 -2.380 -5.707 183 H ASP 26 H ASP 26 9.791 -1.972 -8.490 184 HA ASP 26 HA ASP 26 8.698 0.683 -8.826 185 HB2 ASP 26 2HB ASP 26 10.979 -0.833 -10.064 186 HB3 ASP 26 3HB ASP 26 10.423 0.683 -10.769 187 H CYS 27 H CYS 27 8.562 1.328 -11.328 188 HA CYS 27 HA CYS 27 6.892 -0.669 -12.695 189 HB2 CYS 27 2HB CYS 27 6.173 2.067 -11.827 190 HB3 CYS 27 3HB CYS 27 5.682 1.628 -13.459 191 H VAL 28 H VAL 28 8.089 -1.187 -14.418 192 HA VAL 28 HA VAL 28 9.454 0.953 -15.898 193 HB VAL 28 HB VAL 28 9.813 -2.030 -16.202 194 HG11 VAL 28 1HG1 VAL 28 10.459 -0.831 -18.184 195 HG12 VAL 28 2HG1 VAL 28 11.390 0.326 -17.230 196 HG13 VAL 28 3HG1 VAL 28 11.914 -1.355 -17.337 197 HG21 VAL 28 3HG2 VAL 28 10.469 -1.303 -13.961 198 HG22 VAL 28 1HG2 VAL 28 11.875 -1.760 -14.922 199 HG23 VAL 28 2HG2 VAL 28 11.500 -0.056 -14.663 200 H CYS 29 H CYS 29 8.922 1.462 -17.950 201 HA CYS 29 HA CYS 29 6.636 0.035 -19.125 202 HB2 CYS 29 2HB CYS 29 7.622 2.867 -19.378 203 HB3 CYS 29 3HB CYS 29 6.509 2.178 -20.556 204 H ARG 30 H ARG 30 6.996 -1.224 -20.820 205 HA ARG 30 HA ARG 30 9.215 -0.570 -22.633 206 HB2 ARG 30 2HB ARG 30 9.771 -2.954 -22.818 207 HB3 ARG 30 3HB ARG 30 9.971 -2.372 -21.170 208 HG2 ARG 30 2HG ARG 30 8.786 -4.150 -20.560 209 HG3 ARG 30 3HG ARG 30 7.381 -3.288 -21.189 210 HD2 ARG 30 2HD ARG 30 8.424 -4.386 -23.457 211 HD3 ARG 30 3HD ARG 30 8.801 -5.620 -22.255 212 HE ARG 30 HE ARG 30 6.194 -5.061 -21.783 213 HH11 ARG 30 1HH1 ARG 30 7.986 -5.938 -24.636 214 HH12 ARG 30 2HH1 ARG 30 6.652 -6.751 -25.383 215 HH21 ARG 30 1HH2 ARG 30 4.429 -6.129 -22.757 216 HH22 ARG 30 2HH2 ARG 30 4.628 -6.859 -24.314 Start of MODEL 3 1 H1 PHE 1 H PHE 1 2.678 -4.034 1.177 2 HA PHE 1 HA PHE 1 1.223 -2.410 -0.521 3 HB2 PHE 1 2HB PHE 1 4.001 -1.322 -0.019 4 HB3 PHE 1 3HB PHE 1 2.923 -0.791 -1.305 5 HD1 PHE 1 HD2 PHE 1 3.482 -0.819 2.326 6 HD2 PHE 1 HD1 PHE 1 1.105 0.686 -0.869 7 HE1 PHE 1 HE2 PHE 1 2.487 0.837 3.850 8 HE2 PHE 1 HE1 PHE 1 0.108 2.345 0.650 9 HZ PHE 1 HZ PHE 1 0.798 2.421 3.013 10 H SER 2 H SER 2 2.051 -2.457 -2.794 11 HA SER 2 HA SER 2 4.225 -4.148 -3.492 12 HB2 SER 2 2HB SER 2 2.006 -5.574 -2.701 13 HB3 SER 2 3HB SER 2 1.801 -5.494 -4.451 14 HG SER 2 HG SER 2 3.664 -6.574 -4.735 15 H CYS 3 H CYS 3 4.868 -3.603 -5.474 16 HA CYS 3 HA CYS 3 3.612 -1.619 -6.977 17 HB2 CYS 3 2HB CYS 3 6.054 -2.415 -7.056 18 HB3 CYS 3 3HB CYS 3 5.486 -3.651 -8.173 19 H ASP 4 H ASP 4 1.542 -1.947 -7.606 20 HA ASP 4 HA ASP 4 0.514 -4.392 -8.581 21 HB2 ASP 4 2HB ASP 4 -0.502 -1.826 -7.946 22 HB3 ASP 4 3HB ASP 4 -0.980 -2.169 -9.607 23 H HIS 5 H HIS 5 0.602 -5.300 -10.531 24 HA HIS 5 HA HIS 5 2.182 -4.145 -12.601 25 HB2 HIS 5 2HB HIS 5 0.659 -6.678 -12.231 26 HB3 HIS 5 3HB HIS 5 1.065 -6.202 -13.877 27 HD1 HIS 5 HD1 HIS 5 3.007 -7.583 -14.534 28 HD2 HIS 5 HD2 HIS 5 3.378 -6.139 -10.656 29 HE1 HIS 5 HE1 HIS 5 5.282 -8.320 -13.757 30 H SER 6 H SER 6 -1.208 -4.215 -11.878 31 HA SER 6 HA SER 6 -2.201 -3.654 -14.467 32 HB2 SER 6 2HB SER 6 -3.275 -3.488 -11.690 33 HB3 SER 6 3HB SER 6 -4.133 -2.613 -12.957 34 HG SER 6 HG SER 6 -4.921 -4.741 -12.727 35 H ALA 7 H ALA 7 -1.664 -1.505 -11.672 36 HA ALA 7 HA ALA 7 -2.313 0.904 -12.850 37 HB1 ALA 7 1HB ALA 7 -0.251 1.621 -11.214 38 HB2 ALA 7 2HB ALA 7 -1.914 1.347 -10.692 39 HB3 ALA 7 3HB ALA 7 -0.720 0.057 -10.547 40 H CYS 8 H CYS 8 0.894 -0.643 -12.730 41 HA CYS 8 HA CYS 8 2.230 1.331 -14.231 42 HB2 CYS 8 2HB CYS 8 3.252 -0.507 -12.780 43 HB3 CYS 8 3HB CYS 8 3.001 -1.583 -14.151 44 H ALA 9 H ALA 9 0.785 -1.769 -15.189 45 HA ALA 9 HA ALA 9 1.487 -1.823 -17.855 46 HB1 ALA 9 1HB ALA 9 -0.970 -2.805 -16.434 47 HB2 ALA 9 2HB ALA 9 -0.720 -3.066 -18.161 48 HB3 ALA 9 3HB ALA 9 0.425 -3.728 -16.995 49 H VAL 10 H VAL 10 -1.367 -0.277 -16.397 50 HA VAL 10 HA VAL 10 -2.361 0.760 -18.849 51 HB VAL 10 HB VAL 10 -2.923 1.694 -16.031 52 HG11 VAL 10 1HG1 VAL 10 -5.118 2.397 -17.207 53 HG12 VAL 10 2HG1 VAL 10 -3.689 3.418 -17.383 54 HG13 VAL 10 3HG1 VAL 10 -4.159 2.323 -18.684 55 HG21 VAL 10 3HG2 VAL 10 -4.806 0.235 -16.037 56 HG22 VAL 10 1HG2 VAL 10 -4.560 -0.174 -17.735 57 HG23 VAL 10 2HG2 VAL 10 -3.406 -0.723 -16.520 58 H ARG 11 H ARG 11 -0.546 2.227 -16.165 59 HA ARG 11 HA ARG 11 -0.397 4.820 -17.196 60 HB2 ARG 11 2HB ARG 11 0.196 4.191 -14.874 61 HB3 ARG 11 3HB ARG 11 1.647 3.402 -15.478 62 HG2 ARG 11 2HG ARG 11 2.752 5.314 -15.390 63 HG3 ARG 11 3HG ARG 11 1.580 6.069 -16.472 64 HD2 ARG 11 2HD ARG 11 0.810 5.721 -13.628 65 HD3 ARG 11 3HD ARG 11 2.015 6.951 -14.002 66 HE ARG 11 HE ARG 11 -0.296 7.113 -15.683 67 HH11 ARG 11 1HH1 ARG 11 1.018 7.990 -12.580 68 HH12 ARG 11 2HH1 ARG 11 -0.024 9.360 -12.380 69 HH21 ARG 11 1HH2 ARG 11 -1.673 8.914 -15.431 70 HH22 ARG 11 2HH2 ARG 11 -1.554 9.884 -14.002 71 H CYS 12 H CYS 12 1.223 1.938 -18.136 72 HA CYS 12 HA CYS 12 3.375 3.321 -19.505 73 HB2 CYS 12 2HB CYS 12 2.614 0.431 -19.166 74 HB3 CYS 12 3HB CYS 12 3.833 0.915 -20.340 75 H LEU 13 H LEU 13 0.607 1.275 -20.416 76 HA LEU 13 HA LEU 13 0.920 1.546 -23.195 77 HB2 LEU 13 2HB LEU 13 -0.971 0.322 -23.366 78 HB3 LEU 13 3HB LEU 13 -0.623 0.013 -21.667 79 HG LEU 13 HG LEU 13 -2.187 2.135 -21.350 80 HD11 LEU 13 1HD1 LEU 13 -3.225 2.804 -23.189 81 HD12 LEU 13 2HD1 LEU 13 -3.991 1.221 -23.308 82 HD13 LEU 13 3HD1 LEU 13 -2.459 1.523 -24.128 83 HD21 LEU 13 3HD2 LEU 13 -3.593 0.652 -20.433 84 HD22 LEU 13 1HD2 LEU 13 -2.399 -0.552 -20.917 85 HD23 LEU 13 2HD2 LEU 13 -3.798 -0.235 -21.943 86 H ALA 14 H ALA 14 -0.437 3.648 -20.803 87 HA ALA 14 HA ALA 14 -1.903 5.271 -22.684 88 HB1 ALA 14 1HB ALA 14 -2.523 6.607 -20.837 89 HB2 ALA 14 2HB ALA 14 -2.523 4.941 -20.257 90 HB3 ALA 14 3HB ALA 14 -1.180 6.013 -19.861 91 H GLN 15 H GLN 15 1.303 5.149 -21.411 92 HA GLN 15 HA GLN 15 1.901 7.876 -22.259 93 HB2 GLN 15 2HB GLN 15 3.046 5.988 -20.381 94 HB3 GLN 15 3HB GLN 15 4.277 6.651 -21.447 95 HG2 GLN 15 2HG GLN 15 3.352 8.936 -20.855 96 HG3 GLN 15 3HG GLN 15 2.450 8.122 -19.578 97 HE21 GLN 15 1HE2 GLN 15 4.264 6.265 -18.722 98 HE22 GLN 15 2HE2 GLN 15 5.627 7.061 -18.020 99 H ARG 16 H ARG 16 1.331 5.435 -24.034 100 HA ARG 16 HA ARG 16 1.987 4.699 -26.084 101 HB2 ARG 16 2HB ARG 16 4.026 6.924 -26.056 102 HB3 ARG 16 3HB ARG 16 3.325 6.128 -27.459 103 HG2 ARG 16 2HG ARG 16 1.094 7.078 -26.282 104 HG3 ARG 16 3HG ARG 16 2.266 8.301 -25.788 105 HD2 ARG 16 2HD ARG 16 1.814 9.230 -27.780 106 HD3 ARG 16 3HD ARG 16 2.891 7.987 -28.415 107 HE ARG 16 HE ARG 16 0.144 7.157 -28.202 108 HH11 ARG 16 1HH1 ARG 16 2.527 8.723 -30.201 109 HH12 ARG 16 2HH1 ARG 16 1.690 8.394 -31.682 110 HH21 ARG 16 1HH2 ARG 16 -0.966 6.718 -30.146 111 HH22 ARG 16 2HH2 ARG 16 -0.297 7.254 -31.649 112 H ARG 17 H ARG 17 2.961 3.203 -24.130 113 HA ARG 17 HA ARG 17 5.692 2.585 -25.027 114 HB2 ARG 17 2HB ARG 17 4.776 2.297 -22.166 115 HB3 ARG 17 3HB ARG 17 6.406 2.098 -22.796 116 HG2 ARG 17 2HG ARG 17 4.873 4.689 -22.746 117 HG3 ARG 17 3HG ARG 17 6.108 4.209 -21.581 118 HD2 ARG 17 2HD ARG 17 7.323 3.839 -24.043 119 HD3 ARG 17 3HD ARG 17 6.395 5.325 -24.243 120 HE ARG 17 HE ARG 17 7.829 6.380 -22.799 121 HH11 ARG 17 1HH1 ARG 17 8.289 2.937 -22.572 122 HH12 ARG 17 2HH1 ARG 17 9.704 3.060 -21.580 123 HH21 ARG 17 1HH2 ARG 17 9.692 6.555 -21.493 124 HH22 ARG 17 2HH2 ARG 17 10.501 5.118 -20.967 125 H LYS 18 H LYS 18 2.781 1.561 -25.360 126 HA LYS 18 HA LYS 18 1.697 -0.432 -25.573 127 HB2 LYS 18 2HB LYS 18 4.178 -0.651 -26.759 128 HB3 LYS 18 3HB LYS 18 4.116 -2.073 -25.726 129 HG2 LYS 18 2HG LYS 18 1.973 -2.702 -26.766 130 HG3 LYS 18 3HG LYS 18 2.116 -1.311 -27.844 131 HD2 LYS 18 2HD LYS 18 4.175 -3.504 -27.650 132 HD3 LYS 18 3HD LYS 18 2.864 -3.490 -28.832 133 HE2 LYS 18 2HE LYS 18 3.803 -1.081 -29.337 134 HE3 LYS 18 3HE LYS 18 5.276 -1.752 -28.638 135 HZ1 LYS 18 3HZ LYS 18 4.110 -2.225 -31.201 136 HZ2 LYS 18 1HZ LYS 18 4.412 -3.672 -30.377 137 HZ3 LYS 18 2HZ LYS 18 5.670 -2.574 -30.649 138 H GLY 19 H GLY 19 2.460 0.398 -22.869 139 HA2 GLY 19 2HA GLY 19 1.977 -0.537 -20.796 140 HA3 GLY 19 3HA GLY 19 1.921 -2.121 -21.555 141 H GLY 20 H GLY 20 3.072 -2.247 -19.249 142 HA2 GLY 20 2HA GLY 20 5.842 -2.789 -19.873 143 HA3 GLY 20 3HA GLY 20 5.612 -1.503 -18.697 144 H LYS 21 H LYS 21 6.540 -2.600 -16.990 145 HA LYS 21 HA LYS 21 4.811 -4.456 -15.636 146 HB2 LYS 21 2HB LYS 21 6.618 -6.184 -15.363 147 HB3 LYS 21 3HB LYS 21 5.930 -6.081 -16.978 148 HG2 LYS 21 2HG LYS 21 8.285 -4.393 -16.565 149 HG3 LYS 21 3HG LYS 21 8.586 -6.125 -16.410 150 HD2 LYS 21 2HD LYS 21 7.011 -5.080 -18.729 151 HD3 LYS 21 3HD LYS 21 8.774 -4.982 -18.743 152 HE2 LYS 21 2HE LYS 21 7.166 -7.502 -18.335 153 HE3 LYS 21 3HE LYS 21 7.929 -7.016 -19.848 154 HZ1 LYS 21 3HZ LYS 21 9.123 -8.120 -17.441 155 HZ2 LYS 21 1HZ LYS 21 10.003 -6.889 -18.196 156 HZ3 LYS 21 2HZ LYS 21 9.593 -8.285 -19.057 157 H CYS 22 H CYS 22 5.748 -5.084 -13.476 158 HA CYS 22 HA CYS 22 7.220 -2.787 -12.392 159 HB2 CYS 22 2HB CYS 22 5.007 -4.423 -11.440 160 HB3 CYS 22 3HB CYS 22 6.290 -4.286 -10.243 161 H LYS 23 H LYS 23 9.118 -3.014 -11.321 162 HA LYS 23 HA LYS 23 10.166 -5.742 -10.964 163 HB2 LYS 23 2HB LYS 23 11.253 -3.528 -12.547 164 HB3 LYS 23 3HB LYS 23 12.415 -4.223 -11.425 165 HG2 LYS 23 2HG LYS 23 12.417 -6.266 -12.477 166 HG3 LYS 23 3HG LYS 23 10.810 -6.032 -13.167 167 HD2 LYS 23 2HD LYS 23 11.630 -5.061 -15.011 168 HD3 LYS 23 3HD LYS 23 12.751 -4.059 -14.086 169 HE2 LYS 23 2HE LYS 23 14.248 -6.016 -13.861 170 HE3 LYS 23 3HE LYS 23 13.146 -6.943 -14.878 171 HZ1 LYS 23 3HZ LYS 23 14.710 -4.547 -15.661 172 HZ2 LYS 23 1HZ LYS 23 13.516 -5.250 -16.632 173 HZ3 LYS 23 2HZ LYS 23 14.906 -6.127 -16.232 174 H ASN 24 H ASN 24 9.791 -5.770 -8.763 175 HA ASN 24 HA ASN 24 10.110 -5.333 -6.551 176 HB2 ASN 24 2HB ASN 24 12.769 -4.347 -7.607 177 HB3 ASN 24 3HB ASN 24 12.419 -4.678 -5.913 178 HD21 ASN 24 1HD2 ASN 24 14.477 -5.976 -6.865 179 HD22 ASN 24 2HD2 ASN 24 14.115 -7.635 -7.186 180 H GLY 25 H GLY 25 8.794 -3.278 -8.101 181 HA2 GLY 25 2HA GLY 25 7.844 -1.337 -6.979 182 HA3 GLY 25 3HA GLY 25 9.459 -0.961 -6.396 183 H ASP 26 H ASP 26 10.767 -1.478 -8.927 184 HA ASP 26 HA ASP 26 10.396 1.102 -10.109 185 HB2 ASP 26 2HB ASP 26 12.149 -1.253 -10.806 186 HB3 ASP 26 3HB ASP 26 12.125 0.225 -11.764 187 H CYS 27 H CYS 27 8.701 1.515 -11.365 188 HA CYS 27 HA CYS 27 7.401 -0.551 -12.896 189 HB2 CYS 27 2HB CYS 27 6.009 1.133 -11.884 190 HB3 CYS 27 3HB CYS 27 6.917 2.423 -12.664 191 H VAL 28 H VAL 28 8.643 -1.263 -14.557 192 HA VAL 28 HA VAL 28 9.991 0.633 -16.301 193 HB VAL 28 HB VAL 28 9.860 -2.372 -16.571 194 HG11 VAL 28 1HG1 VAL 28 10.687 -1.720 -18.586 195 HG12 VAL 28 2HG1 VAL 28 11.321 -0.197 -17.960 196 HG13 VAL 28 3HG1 VAL 28 12.190 -1.703 -17.664 197 HG21 VAL 28 3HG2 VAL 28 12.373 -1.737 -15.638 198 HG22 VAL 28 1HG2 VAL 28 11.314 -0.691 -14.692 199 HG23 VAL 28 2HG2 VAL 28 11.062 -2.436 -14.687 200 H CYS 29 H CYS 29 9.390 1.153 -18.339 201 HA CYS 29 HA CYS 29 6.879 -0.028 -19.332 202 HB2 CYS 29 2HB CYS 29 7.947 2.782 -19.492 203 HB3 CYS 29 3HB CYS 29 6.711 2.206 -20.606 204 H ARG 30 H ARG 30 7.064 -1.194 -21.117 205 HA ARG 30 HA ARG 30 9.476 -1.465 -22.547 206 HB2 ARG 30 2HB ARG 30 6.704 -2.225 -23.483 207 HB3 ARG 30 3HB ARG 30 8.229 -2.882 -24.062 208 HG2 ARG 30 2HG ARG 30 8.443 -3.438 -21.437 209 HG3 ARG 30 3HG ARG 30 6.691 -3.515 -21.637 210 HD2 ARG 30 2HD ARG 30 8.640 -4.969 -23.414 211 HD3 ARG 30 3HD ARG 30 7.913 -5.686 -21.977 212 HE ARG 30 HE ARG 30 5.933 -4.631 -23.722 213 HH11 ARG 30 1HH1 ARG 30 8.090 -7.326 -23.276 214 HH12 ARG 30 2HH1 ARG 30 7.099 -8.435 -24.165 215 HH21 ARG 30 1HH2 ARG 30 4.619 -6.080 -24.895 216 HH22 ARG 30 2HH2 ARG 30 5.125 -7.725 -25.086 Start of MODEL 4 1 H1 PHE 1 H PHE 1 2.330 -0.088 0.728 2 HA PHE 1 HA PHE 1 0.940 0.438 -1.791 3 HB2 PHE 1 2HB PHE 1 3.784 0.932 -0.900 4 HB3 PHE 1 3HB PHE 1 3.224 1.211 -2.546 5 HD1 PHE 1 HD1 PHE 1 0.668 2.462 -2.260 6 HD2 PHE 1 HD2 PHE 1 4.169 2.956 0.111 7 HE1 PHE 1 HE1 PHE 1 -0.086 4.715 -1.622 8 HE2 PHE 1 HE2 PHE 1 3.419 5.209 0.754 9 HZ PHE 1 HZ PHE 1 1.289 6.092 -0.112 10 H SER 2 H SER 2 1.392 -0.663 -3.695 11 HA SER 2 HA SER 2 3.295 -2.827 -3.743 12 HB2 SER 2 2HB SER 2 0.334 -3.349 -3.592 13 HB3 SER 2 3HB SER 2 1.418 -4.482 -4.399 14 HG SER 2 HG SER 2 1.997 -5.176 -2.514 15 H CYS 3 H CYS 3 4.141 -2.824 -5.708 16 HA CYS 3 HA CYS 3 3.005 -1.329 -7.844 17 HB2 CYS 3 2HB CYS 3 5.409 -1.505 -7.643 18 HB3 CYS 3 3HB CYS 3 5.331 -3.259 -7.773 19 H ASP 4 H ASP 4 1.023 -2.150 -8.428 20 HA ASP 4 HA ASP 4 0.682 -4.947 -9.036 21 HB2 ASP 4 2HB ASP 4 -1.024 -2.703 -8.544 22 HB3 ASP 4 3HB ASP 4 -1.471 -3.424 -10.088 23 H HIS 5 H HIS 5 0.549 -5.900 -11.021 24 HA HIS 5 HA HIS 5 1.980 -4.774 -13.157 25 HB2 HIS 5 2HB HIS 5 0.223 -7.183 -12.855 26 HB3 HIS 5 3HB HIS 5 0.779 -6.710 -14.458 27 HD1 HIS 5 HD1 HIS 5 2.454 -8.515 -14.914 28 HD2 HIS 5 HD2 HIS 5 3.037 -6.700 -11.222 29 HE1 HIS 5 HE1 HIS 5 4.632 -9.429 -14.051 30 H SER 6 H SER 6 -1.374 -4.629 -12.294 31 HA SER 6 HA SER 6 -2.376 -3.884 -14.853 32 HB2 SER 6 2HB SER 6 -3.640 -3.196 -12.199 33 HB3 SER 6 3HB SER 6 -4.440 -3.447 -13.751 34 HG SER 6 HG SER 6 -4.574 -5.471 -13.248 35 H ALA 7 H ALA 7 -1.771 -1.985 -11.895 36 HA ALA 7 HA ALA 7 -2.336 0.531 -12.884 37 HB1 ALA 7 1HB ALA 7 -0.024 0.526 -11.111 38 HB2 ALA 7 2HB ALA 7 -1.624 1.235 -10.888 39 HB3 ALA 7 3HB ALA 7 -1.356 -0.470 -10.523 40 H CYS 8 H CYS 8 0.767 -1.201 -12.956 41 HA CYS 8 HA CYS 8 2.201 0.864 -14.260 42 HB2 CYS 8 2HB CYS 8 2.712 -2.102 -14.006 43 HB3 CYS 8 3HB CYS 8 3.840 -0.992 -14.778 44 H ALA 9 H ALA 9 0.629 -2.086 -15.455 45 HA ALA 9 HA ALA 9 1.344 -1.973 -18.116 46 HB1 ALA 9 1HB ALA 9 -1.275 -2.861 -16.916 47 HB2 ALA 9 2HB ALA 9 -0.765 -3.190 -18.572 48 HB3 ALA 9 3HB ALA 9 0.147 -3.859 -17.218 49 H VAL 10 H VAL 10 -1.442 -0.407 -16.552 50 HA VAL 10 HA VAL 10 -2.371 0.857 -18.923 51 HB VAL 10 HB VAL 10 -2.907 1.592 -16.041 52 HG11 VAL 10 1HG1 VAL 10 -5.015 2.567 -17.081 53 HG12 VAL 10 2HG1 VAL 10 -3.514 3.458 -17.339 54 HG13 VAL 10 3HG1 VAL 10 -4.175 2.449 -18.627 55 HG21 VAL 10 3HG2 VAL 10 -3.915 -0.418 -16.042 56 HG22 VAL 10 1HG2 VAL 10 -5.167 0.405 -16.972 57 HG23 VAL 10 2HG2 VAL 10 -3.921 -0.527 -17.802 58 H ARG 11 H ARG 11 -0.506 2.031 -16.130 59 HA ARG 11 HA ARG 11 -0.229 4.684 -16.962 60 HB2 ARG 11 2HB ARG 11 0.336 3.727 -14.693 61 HB3 ARG 11 3HB ARG 11 1.827 3.120 -15.400 62 HG2 ARG 11 2HG ARG 11 2.819 5.099 -15.222 63 HG3 ARG 11 3HG ARG 11 1.447 5.933 -15.956 64 HD2 ARG 11 2HD ARG 11 1.170 4.959 -13.161 65 HD3 ARG 11 3HD ARG 11 2.179 6.376 -13.450 66 HE ARG 11 HE ARG 11 -0.668 6.255 -13.533 67 HH11 ARG 11 1HH1 ARG 11 2.109 7.835 -14.917 68 HH12 ARG 11 2HH1 ARG 11 1.244 9.277 -15.334 69 HH21 ARG 11 1HH2 ARG 11 -1.818 8.149 -14.078 70 HH22 ARG 11 2HH2 ARG 11 -0.990 9.454 -14.856 71 H CYS 12 H CYS 12 1.260 1.807 -18.113 72 HA CYS 12 HA CYS 12 3.483 3.186 -19.367 73 HB2 CYS 12 2HB CYS 12 2.585 0.318 -19.251 74 HB3 CYS 12 3HB CYS 12 3.835 0.832 -20.379 75 H LEU 13 H LEU 13 0.628 1.347 -20.438 76 HA LEU 13 HA LEU 13 0.971 1.811 -23.188 77 HB2 LEU 13 2HB LEU 13 -0.974 0.695 -23.456 78 HB3 LEU 13 3HB LEU 13 -0.652 0.242 -21.784 79 HG LEU 13 HG LEU 13 -2.117 2.406 -21.312 80 HD11 LEU 13 1HD1 LEU 13 -3.949 1.730 -23.337 81 HD12 LEU 13 2HD1 LEU 13 -2.400 2.018 -24.129 82 HD13 LEU 13 3HD1 LEU 13 -3.107 3.262 -23.099 83 HD21 LEU 13 3HD2 LEU 13 -2.459 -0.297 -21.091 84 HD22 LEU 13 1HD2 LEU 13 -3.839 0.174 -22.084 85 HD23 LEU 13 2HD2 LEU 13 -3.590 0.926 -20.508 86 H ALA 14 H ALA 14 -0.301 3.790 -20.648 87 HA ALA 14 HA ALA 14 -1.677 5.617 -22.405 88 HB1 ALA 14 1HB ALA 14 -2.109 6.920 -20.413 89 HB2 ALA 14 2HB ALA 14 -2.444 5.216 -20.099 90 HB3 ALA 14 3HB ALA 14 -0.957 5.948 -19.496 91 H GLN 15 H GLN 15 1.512 5.248 -21.138 92 HA GLN 15 HA GLN 15 2.243 7.999 -21.775 93 HB2 GLN 15 2HB GLN 15 3.286 5.923 -20.043 94 HB3 GLN 15 3HB GLN 15 4.553 6.605 -21.053 95 HG2 GLN 15 2HG GLN 15 3.739 8.879 -20.292 96 HG3 GLN 15 3HG GLN 15 2.787 8.018 -19.084 97 HE21 GLN 15 1HE2 GLN 15 3.803 7.063 -17.358 98 HE22 GLN 15 2HE2 GLN 15 5.467 7.328 -16.981 99 H ARG 16 H ARG 16 1.569 5.729 -23.731 100 HA ARG 16 HA ARG 16 2.201 5.120 -25.829 101 HB2 ARG 16 2HB ARG 16 4.364 7.213 -25.658 102 HB3 ARG 16 3HB ARG 16 3.569 6.594 -27.099 103 HG2 ARG 16 2HG ARG 16 2.238 8.241 -24.958 104 HG3 ARG 16 3HG ARG 16 2.828 8.855 -26.504 105 HD2 ARG 16 2HD ARG 16 0.933 8.258 -27.494 106 HD3 ARG 16 3HD ARG 16 1.168 6.587 -26.983 107 HE ARG 16 HE ARG 16 0.163 8.079 -24.825 108 HH11 ARG 16 1HH1 ARG 16 -0.825 6.832 -27.922 109 HH12 ARG 16 2HH1 ARG 16 -2.495 6.695 -27.480 110 HH21 ARG 16 1HH2 ARG 16 -2.032 7.904 -24.232 111 HH22 ARG 16 2HH2 ARG 16 -3.180 7.306 -25.381 112 H ARG 17 H ARG 17 3.093 3.436 -23.992 113 HA ARG 17 HA ARG 17 5.797 2.760 -24.928 114 HB2 ARG 17 2HB ARG 17 4.848 2.313 -22.097 115 HB3 ARG 17 3HB ARG 17 6.468 2.062 -22.735 116 HG2 ARG 17 2HG ARG 17 5.109 4.742 -22.568 117 HG3 ARG 17 3HG ARG 17 6.226 4.108 -21.358 118 HD2 ARG 17 2HD ARG 17 7.638 3.768 -23.671 119 HD3 ARG 17 3HD ARG 17 6.757 5.260 -23.997 120 HE ARG 17 HE ARG 17 7.776 5.689 -21.536 121 HH11 ARG 17 1HH1 ARG 17 9.184 4.631 -24.539 122 HH12 ARG 17 2HH1 ARG 17 10.736 5.326 -24.207 123 HH21 ARG 17 1HH2 ARG 17 9.815 6.608 -21.087 124 HH22 ARG 17 2HH2 ARG 17 11.094 6.449 -22.242 125 H LYS 18 H LYS 18 2.843 1.902 -25.343 126 HA LYS 18 HA LYS 18 1.668 -0.016 -25.708 127 HB2 LYS 18 2HB LYS 18 3.811 -0.233 -27.161 128 HB3 LYS 18 3HB LYS 18 4.296 -1.444 -25.983 129 HG2 LYS 18 2HG LYS 18 3.294 -2.729 -27.602 130 HG3 LYS 18 3HG LYS 18 1.963 -2.476 -26.470 131 HD2 LYS 18 2HD LYS 18 1.538 -0.363 -28.006 132 HD3 LYS 18 3HD LYS 18 2.390 -1.354 -29.193 133 HE2 LYS 18 2HE LYS 18 0.456 -2.953 -27.811 134 HE3 LYS 18 3HE LYS 18 -0.319 -1.497 -28.434 135 HZ1 LYS 18 3HZ LYS 18 1.115 -3.597 -29.939 136 HZ2 LYS 18 1HZ LYS 18 0.849 -2.064 -30.603 137 HZ3 LYS 18 2HZ LYS 18 -0.464 -3.034 -30.160 138 H GLY 19 H GLY 19 2.455 0.572 -22.948 139 HA2 GLY 19 2HA GLY 19 1.915 -0.493 -20.952 140 HA3 GLY 19 3HA GLY 19 1.791 -2.011 -21.828 141 H GLY 20 H GLY 20 2.932 -2.259 -19.482 142 HA2 GLY 20 2HA GLY 20 5.669 -2.934 -20.152 143 HA3 GLY 20 3HA GLY 20 5.502 -1.707 -18.905 144 H LYS 21 H LYS 21 6.445 -3.021 -17.330 145 HA LYS 21 HA LYS 21 4.596 -4.854 -16.072 146 HB2 LYS 21 2HB LYS 21 6.403 -6.629 -15.871 147 HB3 LYS 21 3HB LYS 21 5.646 -6.464 -17.450 148 HG2 LYS 21 2HG LYS 21 7.989 -4.780 -17.194 149 HG3 LYS 21 3HG LYS 21 8.356 -6.483 -16.909 150 HD2 LYS 21 2HD LYS 21 6.781 -6.697 -19.085 151 HD3 LYS 21 3HD LYS 21 7.496 -5.110 -19.378 152 HE2 LYS 21 2HE LYS 21 9.078 -6.418 -20.368 153 HE3 LYS 21 3HE LYS 21 9.715 -6.396 -18.724 154 HZ1 LYS 21 3HZ LYS 21 9.345 -8.628 -20.070 155 HZ2 LYS 21 1HZ LYS 21 7.807 -8.503 -19.375 156 HZ3 LYS 21 2HZ LYS 21 9.180 -8.553 -18.388 157 H CYS 22 H CYS 22 5.350 -5.534 -13.915 158 HA CYS 22 HA CYS 22 6.885 -3.378 -12.677 159 HB2 CYS 22 2HB CYS 22 4.773 -5.246 -11.789 160 HB3 CYS 22 3HB CYS 22 6.001 -4.863 -10.587 161 H LYS 23 H LYS 23 8.655 -3.735 -11.335 162 HA LYS 23 HA LYS 23 9.751 -6.450 -11.239 163 HB2 LYS 23 2HB LYS 23 10.684 -4.949 -13.164 164 HB3 LYS 23 3HB LYS 23 11.573 -4.154 -11.872 165 HG2 LYS 23 2HG LYS 23 13.025 -5.840 -11.675 166 HG3 LYS 23 3HG LYS 23 11.765 -7.069 -11.816 167 HD2 LYS 23 2HD LYS 23 11.922 -7.159 -14.110 168 HD3 LYS 23 3HD LYS 23 12.543 -5.511 -14.238 169 HE2 LYS 23 2HE LYS 23 14.551 -6.637 -12.865 170 HE3 LYS 23 3HE LYS 23 13.971 -8.054 -13.740 171 HZ1 LYS 23 3HZ LYS 23 14.174 -6.747 -15.807 172 HZ2 LYS 23 1HZ LYS 23 15.656 -6.978 -15.025 173 HZ3 LYS 23 2HZ LYS 23 14.871 -5.484 -14.922 174 H ASN 24 H ASN 24 9.425 -6.624 -9.052 175 HA ASN 24 HA ASN 24 9.733 -6.300 -6.818 176 HB2 ASN 24 2HB ASN 24 12.363 -5.332 -7.937 177 HB3 ASN 24 3HB ASN 24 12.065 -5.464 -6.207 178 HD21 ASN 24 1HD2 ASN 24 13.939 -6.936 -6.440 179 HD22 ASN 24 2HD2 ASN 24 13.618 -8.596 -6.799 180 H GLY 25 H GLY 25 8.384 -4.182 -8.270 181 HA2 GLY 25 2HA GLY 25 7.381 -2.327 -7.061 182 HA3 GLY 25 3HA GLY 25 8.975 -1.962 -6.416 183 H ASP 26 H ASP 26 10.370 -2.276 -8.918 184 HA ASP 26 HA ASP 26 9.967 0.358 -9.955 185 HB2 ASP 26 2HB ASP 26 11.685 -1.749 -11.246 186 HB3 ASP 26 3HB ASP 26 11.911 -0.002 -11.237 187 H CYS 27 H CYS 27 8.320 0.821 -11.252 188 HA CYS 27 HA CYS 27 7.098 -1.174 -12.933 189 HB2 CYS 27 2HB CYS 27 6.528 1.648 -12.185 190 HB3 CYS 27 3HB CYS 27 5.870 1.073 -13.714 191 H VAL 28 H VAL 28 8.407 -1.789 -14.582 192 HA VAL 28 HA VAL 28 9.827 0.184 -16.164 193 HB VAL 28 HB VAL 28 9.622 -2.791 -16.640 194 HG11 VAL 28 1HG1 VAL 28 12.078 -1.789 -17.514 195 HG12 VAL 28 2HG1 VAL 28 10.722 -2.318 -18.513 196 HG13 VAL 28 3HG1 VAL 28 10.875 -0.620 -18.058 197 HG21 VAL 28 3HG2 VAL 28 10.572 -2.679 -14.520 198 HG22 VAL 28 1HG2 VAL 28 11.977 -2.705 -15.585 199 HG23 VAL 28 2HG2 VAL 28 11.435 -1.184 -14.877 200 H CYS 29 H CYS 29 9.409 0.721 -18.279 201 HA CYS 29 HA CYS 29 6.874 -0.277 -19.403 202 HB2 CYS 29 2HB CYS 29 7.988 2.524 -19.358 203 HB3 CYS 29 3HB CYS 29 6.739 2.032 -20.498 204 H ARG 30 H ARG 30 7.102 -1.290 -21.276 205 HA ARG 30 HA ARG 30 9.304 -0.499 -23.059 206 HB2 ARG 30 2HB ARG 30 8.459 -3.311 -22.346 207 HB3 ARG 30 3HB ARG 30 9.545 -2.917 -23.671 208 HG2 ARG 30 2HG ARG 30 10.582 -1.627 -21.406 209 HG3 ARG 30 3HG ARG 30 10.123 -3.251 -20.890 210 HD2 ARG 30 2HD ARG 30 11.703 -2.778 -23.398 211 HD3 ARG 30 3HD ARG 30 12.486 -2.907 -21.823 212 HE ARG 30 HE ARG 30 10.732 -5.096 -22.307 213 HH11 ARG 30 1HH1 ARG 30 13.882 -3.826 -23.069 214 HH12 ARG 30 2HH1 ARG 30 14.578 -5.382 -23.378 215 HH21 ARG 30 1HH2 ARG 30 11.637 -7.150 -22.711 216 HH22 ARG 30 2HH2 ARG 30 13.300 -7.272 -23.175 Start of MODEL 5 1 H1 PHE 1 H PHE 1 3.029 -1.005 1.394 2 HA PHE 1 HA PHE 1 1.663 -0.153 -0.422 3 HB2 PHE 1 2HB PHE 1 3.856 1.523 -0.712 4 HB3 PHE 1 3HB PHE 1 3.897 0.531 -2.166 5 HD1 PHE 1 HD1 PHE 1 1.462 2.465 -0.106 6 HD2 PHE 1 HD2 PHE 1 2.695 1.233 -3.990 7 HE1 PHE 1 HE1 PHE 1 -0.296 3.867 -1.105 8 HE2 PHE 1 HE2 PHE 1 0.940 2.634 -4.995 9 HZ PHE 1 HZ PHE 1 -0.558 3.954 -3.553 10 H SER 2 H SER 2 2.115 -0.776 -2.984 11 HA SER 2 HA SER 2 3.659 -3.180 -3.282 12 HB2 SER 2 2HB SER 2 0.773 -3.310 -2.665 13 HB3 SER 2 3HB SER 2 1.291 -4.287 -4.039 14 HG SER 2 HG SER 2 1.551 -5.550 -2.254 15 H CYS 3 H CYS 3 4.424 -3.088 -5.277 16 HA CYS 3 HA CYS 3 3.426 -1.302 -7.232 17 HB2 CYS 3 2HB CYS 3 5.802 -2.027 -7.071 18 HB3 CYS 3 3HB CYS 3 5.320 -3.628 -7.624 19 H ASP 4 H ASP 4 1.310 -1.735 -7.750 20 HA ASP 4 HA ASP 4 0.401 -4.356 -8.454 21 HB2 ASP 4 2HB ASP 4 -0.772 -1.773 -7.987 22 HB3 ASP 4 3HB ASP 4 -1.384 -2.433 -9.502 23 H HIS 5 H HIS 5 0.878 -5.353 -10.286 24 HA HIS 5 HA HIS 5 2.135 -4.198 -12.487 25 HB2 HIS 5 2HB HIS 5 2.219 -6.593 -12.076 26 HB3 HIS 5 3HB HIS 5 0.483 -6.727 -12.339 27 HD1 HIS 5 HD1 HIS 5 3.689 -6.838 -14.081 28 HD2 HIS 5 HD2 HIS 5 -0.291 -6.222 -15.101 29 HE1 HIS 5 HE1 HIS 5 3.575 -7.165 -16.571 30 H SER 6 H SER 6 -1.237 -4.449 -11.682 31 HA SER 6 HA SER 6 -2.293 -3.982 -14.270 32 HB2 SER 6 2HB SER 6 -3.329 -4.492 -11.705 33 HB3 SER 6 3HB SER 6 -3.998 -2.933 -12.188 34 HG SER 6 HG SER 6 -4.341 -4.228 -14.297 35 H ALA 7 H ALA 7 -1.929 -1.789 -11.480 36 HA ALA 7 HA ALA 7 -2.742 0.559 -12.682 37 HB1 ALA 7 1HB ALA 7 -2.410 1.052 -10.525 38 HB2 ALA 7 2HB ALA 7 -1.139 -0.159 -10.346 39 HB3 ALA 7 3HB ALA 7 -0.758 1.428 -11.015 40 H CYS 8 H CYS 8 0.558 -0.769 -12.526 41 HA CYS 8 HA CYS 8 1.777 1.301 -14.004 42 HB2 CYS 8 2HB CYS 8 2.926 -0.431 -12.545 43 HB3 CYS 8 3HB CYS 8 2.728 -1.562 -13.879 44 H ALA 9 H ALA 9 0.553 -1.887 -14.980 45 HA ALA 9 HA ALA 9 1.294 -1.895 -17.637 46 HB1 ALA 9 1HB ALA 9 0.343 -3.862 -16.771 47 HB2 ALA 9 2HB ALA 9 -1.126 -3.028 -16.264 48 HB3 ALA 9 3HB ALA 9 -0.807 -3.288 -17.979 49 H VAL 10 H VAL 10 -1.674 -0.537 -16.219 50 HA VAL 10 HA VAL 10 -2.698 0.434 -18.686 51 HB VAL 10 HB VAL 10 -3.359 1.326 -15.875 52 HG11 VAL 10 1HG1 VAL 10 -5.582 1.877 -17.101 53 HG12 VAL 10 2HG1 VAL 10 -4.227 3.003 -17.214 54 HG13 VAL 10 3HG1 VAL 10 -4.573 1.900 -18.547 55 HG21 VAL 10 3HG2 VAL 10 -4.351 -0.647 -15.635 56 HG22 VAL 10 1HG2 VAL 10 -5.416 -0.241 -16.981 57 HG23 VAL 10 2HG2 VAL 10 -3.911 -1.109 -17.279 58 H ARG 11 H ARG 11 -1.019 2.015 -15.977 59 HA ARG 11 HA ARG 11 -1.024 4.612 -17.008 60 HB2 ARG 11 2HB ARG 11 -0.350 3.780 -14.667 61 HB3 ARG 11 3HB ARG 11 1.239 3.499 -15.367 62 HG2 ARG 11 2HG ARG 11 1.762 5.670 -15.342 63 HG3 ARG 11 3HG ARG 11 0.167 6.158 -15.918 64 HD2 ARG 11 2HD ARG 11 0.057 7.034 -13.825 65 HD3 ARG 11 3HD ARG 11 -0.516 5.407 -13.462 66 HE ARG 11 HE ARG 11 1.399 5.035 -12.262 67 HH11 ARG 11 1HH1 ARG 11 1.814 7.872 -14.238 68 HH12 ARG 11 2HH1 ARG 11 3.322 8.318 -13.510 69 HH21 ARG 11 1HH2 ARG 11 3.384 5.612 -11.297 70 HH22 ARG 11 2HH2 ARG 11 4.214 7.031 -11.838 71 H CYS 12 H CYS 12 0.792 1.841 -17.923 72 HA CYS 12 HA CYS 12 2.869 3.361 -19.263 73 HB2 CYS 12 2HB CYS 12 2.291 0.427 -18.935 74 HB3 CYS 12 3HB CYS 12 3.494 0.991 -20.090 75 H LEU 13 H LEU 13 0.251 1.141 -20.212 76 HA LEU 13 HA LEU 13 0.585 1.433 -22.986 77 HB2 LEU 13 2HB LEU 13 -1.221 0.090 -23.183 78 HB3 LEU 13 3HB LEU 13 -0.878 -0.197 -21.479 79 HG LEU 13 HG LEU 13 -2.580 1.819 -21.185 80 HD11 LEU 13 1HD1 LEU 13 -2.773 1.194 -23.966 81 HD12 LEU 13 2HD1 LEU 13 -3.633 2.422 -23.038 82 HD13 LEU 13 3HD1 LEU 13 -4.293 0.792 -23.167 83 HD21 LEU 13 3HD2 LEU 13 -3.894 0.248 -20.282 84 HD22 LEU 13 1HD2 LEU 13 -2.624 -0.879 -20.760 85 HD23 LEU 13 2HD2 LEU 13 -4.031 -0.644 -21.797 86 H ALA 14 H ALA 14 -0.938 3.442 -20.615 87 HA ALA 14 HA ALA 14 -2.479 4.968 -22.517 88 HB1 ALA 14 1HB ALA 14 -3.371 4.768 -20.311 89 HB2 ALA 14 2HB ALA 14 -1.884 5.389 -19.594 90 HB3 ALA 14 3HB ALA 14 -2.910 6.454 -20.555 91 H GLN 15 H GLN 15 0.710 5.052 -21.200 92 HA GLN 15 HA GLN 15 1.143 7.812 -22.040 93 HB2 GLN 15 2HB GLN 15 2.381 6.000 -20.146 94 HB3 GLN 15 3HB GLN 15 3.582 6.742 -21.197 95 HG2 GLN 15 2HG GLN 15 2.507 8.962 -20.617 96 HG3 GLN 15 3HG GLN 15 1.639 8.093 -19.353 97 HE21 GLN 15 1HE2 GLN 15 2.850 7.109 -17.669 98 HE22 GLN 15 2HE2 GLN 15 4.422 7.695 -17.257 99 H ARG 16 H ARG 16 0.755 5.341 -23.822 100 HA ARG 16 HA ARG 16 1.484 4.650 -25.863 101 HB2 ARG 16 2HB ARG 16 3.382 6.995 -25.817 102 HB3 ARG 16 3HB ARG 16 2.732 6.165 -27.224 103 HG2 ARG 16 2HG ARG 16 0.435 6.955 -26.252 104 HG3 ARG 16 3HG ARG 16 1.436 8.150 -25.426 105 HD2 ARG 16 2HD ARG 16 1.222 7.678 -28.395 106 HD3 ARG 16 3HD ARG 16 0.668 9.090 -27.496 107 HE ARG 16 HE ARG 16 3.404 8.814 -27.044 108 HH11 ARG 16 1HH1 ARG 16 1.234 9.497 -29.679 109 HH12 ARG 16 2HH1 ARG 16 2.381 10.464 -30.545 110 HH21 ARG 16 1HH2 ARG 16 4.924 10.085 -28.175 111 HH22 ARG 16 2HH2 ARG 16 4.480 10.797 -29.689 112 H ARG 17 H ARG 17 2.527 3.219 -23.896 113 HA ARG 17 HA ARG 17 5.304 2.779 -24.757 114 HB2 ARG 17 2HB ARG 17 4.374 2.426 -21.908 115 HB3 ARG 17 3HB ARG 17 6.021 2.342 -22.518 116 HG2 ARG 17 2HG ARG 17 4.322 4.827 -22.519 117 HG3 ARG 17 3HG ARG 17 5.528 4.427 -21.294 118 HD2 ARG 17 2HD ARG 17 6.269 4.496 -24.193 119 HD3 ARG 17 3HD ARG 17 6.176 5.989 -23.260 120 HE ARG 17 HE ARG 17 7.740 4.205 -21.813 121 HH11 ARG 17 1HH1 ARG 17 7.846 5.881 -24.862 122 HH12 ARG 17 2HH1 ARG 17 9.577 5.960 -24.907 123 HH21 ARG 17 1HH2 ARG 17 10.019 4.302 -21.860 124 HH22 ARG 17 2HH2 ARG 17 10.811 5.060 -23.199 125 H LYS 18 H LYS 18 2.469 1.570 -25.128 126 HA LYS 18 HA LYS 18 1.519 -0.490 -25.354 127 HB2 LYS 18 2HB LYS 18 3.726 -0.566 -26.750 128 HB3 LYS 18 3HB LYS 18 4.275 -1.666 -25.492 129 HG2 LYS 18 2HG LYS 18 2.441 -3.171 -25.962 130 HG3 LYS 18 3HG LYS 18 1.796 -2.048 -27.161 131 HD2 LYS 18 2HD LYS 18 2.980 -3.250 -28.638 132 HD3 LYS 18 3HD LYS 18 4.375 -2.370 -28.009 133 HE2 LYS 18 2HE LYS 18 3.486 -4.840 -26.601 134 HE3 LYS 18 3HE LYS 18 4.351 -5.004 -28.129 135 HZ1 LYS 18 3HZ LYS 18 6.218 -4.736 -26.995 136 HZ2 LYS 18 1HZ LYS 18 5.378 -4.408 -25.564 137 HZ3 LYS 18 2HZ LYS 18 5.755 -3.150 -26.630 138 H GLY 19 H GLY 19 2.192 0.387 -22.641 139 HA2 GLY 19 2HA GLY 19 1.742 -0.578 -20.574 140 HA3 GLY 19 3HA GLY 19 1.800 -2.163 -21.333 141 H GLY 20 H GLY 20 2.925 -2.183 -18.998 142 HA2 GLY 20 2HA GLY 20 5.770 -2.410 -19.605 143 HA3 GLY 20 3HA GLY 20 5.333 -1.327 -18.292 144 H LYS 21 H LYS 21 6.427 -2.568 -16.756 145 HA LYS 21 HA LYS 21 4.873 -4.722 -15.656 146 HB2 LYS 21 2HB LYS 21 6.860 -6.296 -15.607 147 HB3 LYS 21 3HB LYS 21 6.076 -6.093 -17.169 148 HG2 LYS 21 2HG LYS 21 8.208 -4.180 -16.813 149 HG3 LYS 21 3HG LYS 21 8.781 -5.837 -16.607 150 HD2 LYS 21 2HD LYS 21 7.258 -6.155 -18.796 151 HD3 LYS 21 3HD LYS 21 7.732 -4.469 -19.010 152 HE2 LYS 21 2HE LYS 21 9.776 -5.065 -19.654 153 HE3 LYS 21 3HE LYS 21 9.995 -6.054 -18.211 154 HZ1 LYS 21 3HZ LYS 21 8.263 -7.243 -20.177 155 HZ2 LYS 21 1HZ LYS 21 9.572 -7.914 -19.341 156 HZ3 LYS 21 2HZ LYS 21 9.841 -6.997 -20.736 157 H CYS 22 H CYS 22 5.682 -5.420 -13.549 158 HA CYS 22 HA CYS 22 7.139 -3.244 -12.228 159 HB2 CYS 22 2HB CYS 22 4.930 -5.010 -11.465 160 HB3 CYS 22 3HB CYS 22 6.168 -4.863 -10.221 161 H LYS 23 H LYS 23 9.264 -3.793 -12.576 162 HA LYS 23 HA LYS 23 10.203 -6.465 -11.953 163 HB2 LYS 23 2HB LYS 23 11.078 -4.427 -13.644 164 HB3 LYS 23 3HB LYS 23 12.282 -4.478 -12.364 165 HG2 LYS 23 2HG LYS 23 13.045 -6.521 -12.970 166 HG3 LYS 23 3HG LYS 23 11.464 -7.069 -13.531 167 HD2 LYS 23 2HD LYS 23 12.320 -6.791 -15.586 168 HD3 LYS 23 3HD LYS 23 12.031 -5.073 -15.306 169 HE2 LYS 23 2HE LYS 23 14.221 -4.870 -15.774 170 HE3 LYS 23 3HE LYS 23 14.439 -5.393 -14.105 171 HZ1 LYS 23 3HZ LYS 23 14.504 -7.720 -15.020 172 HZ2 LYS 23 1HZ LYS 23 15.829 -6.744 -15.411 173 HZ3 LYS 23 2HZ LYS 23 14.625 -7.036 -16.562 174 H ASN 24 H ASN 24 10.165 -6.876 -9.809 175 HA ASN 24 HA ASN 24 10.630 -6.736 -7.584 176 HB2 ASN 24 2HB ASN 24 13.037 -5.479 -8.867 177 HB3 ASN 24 3HB ASN 24 12.907 -5.555 -7.112 178 HD21 ASN 24 1HD2 ASN 24 13.380 -7.403 -6.097 179 HD22 ASN 24 2HD2 ASN 24 13.786 -8.886 -6.886 180 H GLY 25 H GLY 25 8.936 -4.672 -8.710 181 HA2 GLY 25 2HA GLY 25 7.812 -3.049 -7.330 182 HA3 GLY 25 3HA GLY 25 9.371 -2.621 -6.640 183 H ASP 26 H ASP 26 10.712 -2.548 -9.235 184 HA ASP 26 HA ASP 26 10.160 0.174 -9.884 185 HB2 ASP 26 2HB ASP 26 11.991 -1.898 -11.092 186 HB3 ASP 26 3HB ASP 26 11.864 -0.261 -11.730 187 H CYS 27 H CYS 27 8.506 0.823 -11.079 188 HA CYS 27 HA CYS 27 7.145 -0.970 -12.876 189 HB2 CYS 27 2HB CYS 27 5.827 0.587 -11.567 190 HB3 CYS 27 3HB CYS 27 6.712 1.954 -12.237 191 H VAL 28 H VAL 28 8.576 -1.436 -14.535 192 HA VAL 28 HA VAL 28 9.732 0.742 -16.077 193 HB VAL 28 HB VAL 28 9.913 -2.219 -16.633 194 HG11 VAL 28 1HG1 VAL 28 10.651 -0.040 -18.172 195 HG12 VAL 28 2HG1 VAL 28 12.154 -0.548 -17.400 196 HG13 VAL 28 3HG1 VAL 28 11.221 -1.698 -18.360 197 HG21 VAL 28 3HG2 VAL 28 12.275 -1.775 -15.586 198 HG22 VAL 28 1HG2 VAL 28 11.429 -0.470 -14.754 199 HG23 VAL 28 2HG2 VAL 28 10.891 -2.138 -14.554 200 H CYS 29 H CYS 29 8.967 1.489 -17.958 201 HA CYS 29 HA CYS 29 6.598 0.164 -19.088 202 HB2 CYS 29 2HB CYS 29 7.515 3.026 -19.045 203 HB3 CYS 29 3HB CYS 29 6.355 2.473 -20.249 204 H ARG 30 H ARG 30 6.825 -0.880 -20.944 205 HA ARG 30 HA ARG 30 9.267 -0.670 -22.460 206 HB2 ARG 30 2HB ARG 30 6.766 -2.298 -22.951 207 HB3 ARG 30 3HB ARG 30 8.262 -2.443 -23.865 208 HG2 ARG 30 2HG ARG 30 9.202 -2.790 -21.367 209 HG3 ARG 30 3HG ARG 30 7.572 -3.442 -21.186 210 HD2 ARG 30 2HD ARG 30 8.263 -5.330 -22.129 211 HD3 ARG 30 3HD ARG 30 8.564 -4.439 -23.621 212 HE ARG 30 HE ARG 30 10.720 -4.182 -21.773 213 HH11 ARG 30 1HH1 ARG 30 9.294 -6.307 -24.133 214 HH12 ARG 30 2HH1 ARG 30 10.784 -7.110 -24.502 215 HH21 ARG 30 1HH2 ARG 30 12.688 -5.232 -22.250 216 HH22 ARG 30 2HH2 ARG 30 12.714 -6.498 -23.429 Start of MODEL 6 1 H1 PHE 1 H PHE 1 1.332 -1.218 1.276 2 HA PHE 1 HA PHE 1 1.282 -0.409 -0.873 3 HB2 PHE 1 2HB PHE 1 4.253 0.044 -0.520 4 HB3 PHE 1 3HB PHE 1 3.290 0.593 -1.887 5 HD1 PHE 1 HD2 PHE 1 1.133 1.999 -1.137 6 HD2 PHE 1 HD1 PHE 1 4.729 1.582 1.103 7 HE1 PHE 1 HE2 PHE 1 0.626 4.087 0.060 8 HE2 PHE 1 HE1 PHE 1 4.226 3.669 2.304 9 HZ PHE 1 HZ PHE 1 2.173 4.926 1.783 10 H SER 2 H SER 2 1.567 -1.329 -2.929 11 HA SER 2 HA SER 2 3.392 -3.572 -3.220 12 HB2 SER 2 2HB SER 2 1.801 -5.246 -3.539 13 HB3 SER 2 3HB SER 2 1.108 -4.327 -2.203 14 HG SER 2 HG SER 2 -0.242 -3.284 -3.681 15 H CYS 3 H CYS 3 4.240 -3.537 -5.190 16 HA CYS 3 HA CYS 3 3.456 -1.655 -7.138 17 HB2 CYS 3 2HB CYS 3 5.757 -2.486 -6.956 18 HB3 CYS 3 3HB CYS 3 5.221 -4.096 -7.428 19 H ASP 4 H ASP 4 1.359 -1.892 -7.802 20 HA ASP 4 HA ASP 4 0.302 -4.430 -8.639 21 HB2 ASP 4 2HB ASP 4 -0.765 -1.919 -7.931 22 HB3 ASP 4 3HB ASP 4 -1.236 -2.194 -9.606 23 H HIS 5 H HIS 5 1.092 -5.329 -10.435 24 HA HIS 5 HA HIS 5 2.355 -4.081 -12.551 25 HB2 HIS 5 2HB HIS 5 2.454 -6.490 -12.229 26 HB3 HIS 5 3HB HIS 5 0.733 -6.635 -12.572 27 HD1 HIS 5 HD1 HIS 5 1.076 -8.159 -14.598 28 HD2 HIS 5 HD2 HIS 5 3.018 -4.500 -14.919 29 HE1 HIS 5 HE1 HIS 5 1.819 -8.000 -16.995 30 H SER 6 H SER 6 -1.053 -4.456 -11.926 31 HA SER 6 HA SER 6 -2.030 -3.921 -14.511 32 HB2 SER 6 2HB SER 6 -3.119 -4.248 -11.867 33 HB3 SER 6 3HB SER 6 -3.877 -2.864 -12.654 34 HG SER 6 HG SER 6 -3.920 -5.569 -13.362 35 H ALA 7 H ALA 7 -1.692 -1.737 -11.711 36 HA ALA 7 HA ALA 7 -2.469 0.622 -12.915 37 HB1 ALA 7 1HB ALA 7 -1.339 -0.117 -10.475 38 HB2 ALA 7 2HB ALA 7 -0.249 1.099 -11.142 39 HB3 ALA 7 3HB ALA 7 -1.959 1.471 -10.927 40 H CYS 8 H CYS 8 0.835 -0.695 -12.689 41 HA CYS 8 HA CYS 8 2.076 1.354 -14.165 42 HB2 CYS 8 2HB CYS 8 2.913 -1.530 -13.791 43 HB3 CYS 8 3HB CYS 8 3.946 -0.252 -14.424 44 H ALA 9 H ALA 9 0.832 -1.820 -15.153 45 HA ALA 9 HA ALA 9 1.616 -1.849 -17.797 46 HB1 ALA 9 1HB ALA 9 0.531 -3.735 -16.673 47 HB2 ALA 9 2HB ALA 9 -1.001 -2.860 -16.690 48 HB3 ALA 9 3HB ALA 9 -0.250 -3.355 -18.208 49 H VAL 10 H VAL 10 -1.355 -0.443 -16.434 50 HA VAL 10 HA VAL 10 -2.322 0.536 -18.920 51 HB VAL 10 HB VAL 10 -3.017 1.448 -16.124 52 HG11 VAL 10 1HG1 VAL 10 -3.864 3.130 -17.447 53 HG12 VAL 10 2HG1 VAL 10 -4.144 2.057 -18.820 54 HG13 VAL 10 3HG1 VAL 10 -5.218 2.000 -17.421 55 HG21 VAL 10 3HG2 VAL 10 -4.825 -0.101 -16.184 56 HG22 VAL 10 1HG2 VAL 10 -4.508 -0.499 -17.873 57 HG23 VAL 10 2HG2 VAL 10 -3.366 -0.990 -16.622 58 H ARG 11 H ARG 11 -0.666 2.101 -16.189 59 HA ARG 11 HA ARG 11 -0.614 4.694 -17.227 60 HB2 ARG 11 2HB ARG 11 0.013 3.847 -14.872 61 HB3 ARG 11 3HB ARG 11 1.611 3.563 -15.550 62 HG2 ARG 11 2HG ARG 11 2.128 5.747 -15.582 63 HG3 ARG 11 3HG ARG 11 0.501 6.232 -16.063 64 HD2 ARG 11 2HD ARG 11 0.820 5.149 -13.328 65 HD3 ARG 11 3HD ARG 11 1.526 6.734 -13.641 66 HE ARG 11 HE ARG 11 -1.056 6.787 -14.649 67 HH11 ARG 11 1HH1 ARG 11 0.507 6.390 -11.563 68 HH12 ARG 11 2HH1 ARG 11 -0.805 7.077 -10.664 69 HH21 ARG 11 1HH2 ARG 11 -2.790 7.693 -13.475 70 HH22 ARG 11 2HH2 ARG 11 -2.680 7.817 -11.752 71 H CYS 12 H CYS 12 1.175 1.894 -18.104 72 HA CYS 12 HA CYS 12 3.296 3.378 -19.413 73 HB2 CYS 12 2HB CYS 12 2.669 0.454 -19.087 74 HB3 CYS 12 3HB CYS 12 3.900 0.996 -20.223 75 H LEU 13 H LEU 13 0.662 1.194 -20.399 76 HA LEU 13 HA LEU 13 1.046 1.472 -23.168 77 HB2 LEU 13 2HB LEU 13 -0.776 0.155 -23.391 78 HB3 LEU 13 3HB LEU 13 -0.466 -0.131 -21.680 79 HG LEU 13 HG LEU 13 -2.142 1.912 -21.422 80 HD11 LEU 13 1HD1 LEU 13 -2.298 1.280 -24.203 81 HD12 LEU 13 2HD1 LEU 13 -3.155 2.524 -23.294 82 HD13 LEU 13 3HD1 LEU 13 -3.837 0.903 -23.429 83 HD21 LEU 13 3HD2 LEU 13 -3.622 -0.529 -22.049 84 HD22 LEU 13 1HD2 LEU 13 -3.492 0.364 -20.534 85 HD23 LEU 13 2HD2 LEU 13 -2.234 -0.786 -20.990 86 H ALA 14 H ALA 14 -0.486 3.512 -20.828 87 HA ALA 14 HA ALA 14 -1.972 5.054 -22.760 88 HB1 ALA 14 1HB ALA 14 -2.319 6.585 -20.762 89 HB2 ALA 14 2HB ALA 14 -2.961 4.947 -20.629 90 HB3 ALA 14 3HB ALA 14 -1.454 5.372 -19.818 91 H GLN 15 H GLN 15 1.196 5.094 -21.392 92 HA GLN 15 HA GLN 15 1.684 7.845 -22.232 93 HB2 GLN 15 2HB GLN 15 2.864 6.021 -20.313 94 HB3 GLN 15 3HB GLN 15 4.092 6.740 -21.346 95 HG2 GLN 15 2HG GLN 15 3.044 8.979 -20.791 96 HG3 GLN 15 3HG GLN 15 2.140 8.127 -19.540 97 HE21 GLN 15 1HE2 GLN 15 3.089 7.748 -17.640 98 HE22 GLN 15 2HE2 GLN 15 4.747 8.071 -17.276 99 H ARG 16 H ARG 16 1.288 5.374 -24.013 100 HA ARG 16 HA ARG 16 2.040 4.667 -26.040 101 HB2 ARG 16 2HB ARG 16 3.962 6.992 -25.960 102 HB3 ARG 16 3HB ARG 16 3.349 6.157 -27.380 103 HG2 ARG 16 2HG ARG 16 1.028 6.973 -26.401 104 HG3 ARG 16 3HG ARG 16 2.059 8.209 -25.677 105 HD2 ARG 16 2HD ARG 16 1.870 9.298 -27.616 106 HD3 ARG 16 3HD ARG 16 2.960 8.079 -28.275 107 HE ARG 16 HE ARG 16 0.283 7.167 -28.364 108 HH11 ARG 16 1HH1 ARG 16 2.480 9.379 -29.912 109 HH12 ARG 16 2HH1 ARG 16 1.659 9.332 -31.437 110 HH21 ARG 16 1HH2 ARG 16 -0.806 7.095 -30.367 111 HH22 ARG 16 2HH2 ARG 16 -0.210 8.033 -31.694 112 H ARG 17 H ARG 17 3.029 3.226 -24.052 113 HA ARG 17 HA ARG 17 5.813 2.742 -24.866 114 HB2 ARG 17 2HB ARG 17 4.828 2.419 -22.032 115 HB3 ARG 17 3HB ARG 17 6.484 2.296 -22.613 116 HG2 ARG 17 2HG ARG 17 4.840 4.817 -22.660 117 HG3 ARG 17 3HG ARG 17 6.011 4.398 -21.408 118 HD2 ARG 17 2HD ARG 17 6.804 4.445 -24.295 119 HD3 ARG 17 3HD ARG 17 6.742 5.936 -23.356 120 HE ARG 17 HE ARG 17 8.249 3.885 -22.055 121 HH11 ARG 17 1HH1 ARG 17 8.379 6.359 -24.501 122 HH12 ARG 17 2HH1 ARG 17 10.094 6.572 -24.379 123 HH21 ARG 17 1HH2 ARG 17 10.507 4.156 -21.885 124 HH22 ARG 17 2HH2 ARG 17 11.304 5.318 -22.892 125 H LYS 18 H LYS 18 2.967 1.574 -25.280 126 HA LYS 18 HA LYS 18 1.990 -0.472 -25.516 127 HB2 LYS 18 2HB LYS 18 4.172 -0.598 -26.906 128 HB3 LYS 18 3HB LYS 18 4.758 -1.641 -25.616 129 HG2 LYS 18 2HG LYS 18 3.917 -3.047 -27.322 130 HG3 LYS 18 3HG LYS 18 2.748 -3.088 -26.001 131 HD2 LYS 18 2HD LYS 18 1.132 -2.151 -27.249 132 HD3 LYS 18 3HD LYS 18 2.242 -0.989 -27.979 133 HE2 LYS 18 2HE LYS 18 2.417 -3.856 -28.775 134 HE3 LYS 18 3HE LYS 18 1.105 -2.871 -29.420 135 HZ1 LYS 18 3HZ LYS 18 2.502 -1.711 -30.716 136 HZ2 LYS 18 1HZ LYS 18 3.525 -3.046 -30.530 137 HZ3 LYS 18 2HZ LYS 18 3.740 -1.675 -29.563 138 H GLY 19 H GLY 19 2.631 0.404 -22.794 139 HA2 GLY 19 2HA GLY 19 2.133 -0.548 -20.732 140 HA3 GLY 19 3HA GLY 19 2.180 -2.135 -21.485 141 H GLY 20 H GLY 20 3.266 -2.199 -19.147 142 HA2 GLY 20 2HA GLY 20 6.117 -2.458 -19.702 143 HA3 GLY 20 3HA GLY 20 5.676 -1.365 -18.398 144 H LYS 21 H LYS 21 6.772 -2.653 -16.879 145 HA LYS 21 HA LYS 21 5.154 -4.793 -15.811 146 HB2 LYS 21 2HB LYS 21 7.120 -6.367 -15.695 147 HB3 LYS 21 3HB LYS 21 6.443 -6.130 -17.301 148 HG2 LYS 21 2HG LYS 21 8.489 -4.200 -16.907 149 HG3 LYS 21 3HG LYS 21 9.115 -5.784 -16.441 150 HD2 LYS 21 2HD LYS 21 7.555 -5.630 -18.958 151 HD3 LYS 21 3HD LYS 21 9.161 -4.898 -18.959 152 HE2 LYS 21 2HE LYS 21 9.645 -7.052 -19.608 153 HE3 LYS 21 3HE LYS 21 9.877 -7.156 -17.863 154 HZ1 LYS 21 3HZ LYS 21 8.437 -8.826 -17.908 155 HZ2 LYS 21 1HZ LYS 21 8.005 -8.524 -19.516 156 HZ3 LYS 21 2HZ LYS 21 7.220 -7.705 -18.261 157 H CYS 22 H CYS 22 6.002 -5.561 -13.697 158 HA CYS 22 HA CYS 22 7.319 -3.339 -12.301 159 HB2 CYS 22 2HB CYS 22 5.115 -5.118 -11.654 160 HB3 CYS 22 3HB CYS 22 6.335 -5.109 -10.384 161 H LYS 23 H LYS 23 9.458 -3.671 -12.255 162 HA LYS 23 HA LYS 23 10.504 -6.360 -11.803 163 HB2 LYS 23 2HB LYS 23 11.373 -4.190 -13.335 164 HB3 LYS 23 3HB LYS 23 12.506 -4.270 -11.992 165 HG2 LYS 23 2HG LYS 23 13.365 -6.267 -12.650 166 HG3 LYS 23 3HG LYS 23 11.852 -6.805 -13.382 167 HD2 LYS 23 2HD LYS 23 12.619 -6.205 -15.380 168 HD3 LYS 23 3HD LYS 23 12.740 -4.534 -14.825 169 HE2 LYS 23 2HE LYS 23 14.983 -4.881 -14.065 170 HE3 LYS 23 3HE LYS 23 14.868 -6.616 -14.359 171 HZ1 LYS 23 3HZ LYS 23 15.961 -5.939 -16.225 172 HZ2 LYS 23 1HZ LYS 23 15.208 -4.425 -16.275 173 HZ3 LYS 23 2HZ LYS 23 14.368 -5.804 -16.778 174 H ASN 24 H ASN 24 10.286 -6.839 -9.672 175 HA ASN 24 HA ASN 24 10.632 -6.792 -7.424 176 HB2 ASN 24 2HB ASN 24 13.044 -5.387 -8.515 177 HB3 ASN 24 3HB ASN 24 12.807 -5.472 -6.772 178 HD21 ASN 24 1HD2 ASN 24 13.124 -7.395 -9.695 179 HD22 ASN 24 2HD2 ASN 24 13.723 -8.816 -8.916 180 H GLY 25 H GLY 25 8.977 -4.690 -8.665 181 HA2 GLY 25 2HA GLY 25 7.649 -3.217 -7.268 182 HA3 GLY 25 3HA GLY 25 9.132 -2.746 -6.451 183 H ASP 26 H ASP 26 10.595 -2.552 -9.017 184 HA ASP 26 HA ASP 26 9.993 0.189 -9.562 185 HB2 ASP 26 2HB ASP 26 11.885 -1.683 -11.002 186 HB3 ASP 26 3HB ASP 26 11.859 0.073 -11.143 187 H CYS 27 H CYS 27 8.452 0.886 -10.873 188 HA CYS 27 HA CYS 27 7.183 -0.881 -12.761 189 HB2 CYS 27 2HB CYS 27 6.691 1.872 -11.733 190 HB3 CYS 27 3HB CYS 27 5.996 1.445 -13.293 191 H VAL 28 H VAL 28 8.587 -1.346 -14.408 192 HA VAL 28 HA VAL 28 9.842 0.860 -15.859 193 HB VAL 28 HB VAL 28 10.152 -2.101 -16.357 194 HG11 VAL 28 1HG1 VAL 28 11.504 0.360 -17.386 195 HG12 VAL 28 2HG1 VAL 28 12.382 -1.169 -17.309 196 HG13 VAL 28 3HG1 VAL 28 10.909 -1.044 -18.271 197 HG21 VAL 28 3HG2 VAL 28 11.693 -0.240 -14.566 198 HG22 VAL 28 1HG2 VAL 28 10.916 -1.767 -14.148 199 HG23 VAL 28 2HG2 VAL 28 12.360 -1.761 -15.160 200 H CYS 29 H CYS 29 9.308 1.452 -17.899 201 HA CYS 29 HA CYS 29 6.968 0.119 -19.086 202 HB2 CYS 29 2HB CYS 29 7.951 2.964 -19.214 203 HB3 CYS 29 3HB CYS 29 6.777 2.338 -20.366 204 H ARG 30 H ARG 30 7.281 -1.019 -20.873 205 HA ARG 30 HA ARG 30 9.410 -0.221 -22.727 206 HB2 ARG 30 2HB ARG 30 10.244 -2.442 -22.949 207 HB3 ARG 30 3HB ARG 30 10.184 -2.091 -21.226 208 HG2 ARG 30 2HG ARG 30 9.119 -4.027 -21.009 209 HG3 ARG 30 3HG ARG 30 7.723 -3.223 -21.730 210 HD2 ARG 30 2HD ARG 30 9.113 -3.888 -23.949 211 HD3 ARG 30 3HD ARG 30 9.575 -5.207 -22.875 212 HE ARG 30 HE ARG 30 7.009 -4.776 -24.080 213 HH11 ARG 30 1HH1 ARG 30 8.681 -6.198 -21.378 214 HH12 ARG 30 2HH1 ARG 30 7.449 -7.375 -21.067 215 HH21 ARG 30 1HH2 ARG 30 5.379 -6.321 -23.681 216 HH22 ARG 30 2HH2 ARG 30 5.571 -7.445 -22.378 Start of MODEL 7 1 H1 PHE 1 H PHE 1 1.744 0.033 -0.495 2 HA PHE 1 HA PHE 1 1.707 0.285 -3.170 3 HB2 PHE 1 2HB PHE 1 4.537 0.550 -2.177 4 HB3 PHE 1 3HB PHE 1 4.183 -0.085 -3.781 5 HD1 PHE 1 HD1 PHE 1 3.949 2.873 -1.606 6 HD2 PHE 1 HD2 PHE 1 3.501 1.344 -5.552 7 HE1 PHE 1 HE1 PHE 1 3.804 5.170 -2.475 8 HE2 PHE 1 HE2 PHE 1 3.357 3.638 -6.429 9 HZ PHE 1 HZ PHE 1 3.510 5.555 -4.890 10 H SER 2 H SER 2 1.812 -1.682 -4.238 11 HA SER 2 HA SER 2 2.897 -3.989 -2.821 12 HB2 SER 2 2HB SER 2 0.514 -3.742 -2.092 13 HB3 SER 2 3HB SER 2 0.025 -3.934 -3.776 14 HG SER 2 HG SER 2 0.591 -5.827 -1.989 15 H CYS 3 H CYS 3 3.500 -2.488 -5.289 16 HA CYS 3 HA CYS 3 4.051 -2.853 -7.468 17 HB2 CYS 3 2HB CYS 3 5.313 -4.695 -6.266 18 HB3 CYS 3 3HB CYS 3 4.012 -5.783 -6.740 19 H ASP 4 H ASP 4 1.778 -2.147 -7.898 20 HA ASP 4 HA ASP 4 -0.079 -4.222 -8.700 21 HB2 ASP 4 2HB ASP 4 -0.205 -1.209 -8.697 22 HB3 ASP 4 3HB ASP 4 -1.470 -2.200 -9.418 23 H HIS 5 H HIS 5 0.718 -5.274 -10.466 24 HA HIS 5 HA HIS 5 2.061 -4.122 -12.628 25 HB2 HIS 5 2HB HIS 5 2.085 -6.523 -12.240 26 HB3 HIS 5 3HB HIS 5 0.352 -6.617 -12.538 27 HD1 HIS 5 HD1 HIS 5 0.483 -8.144 -14.557 28 HD2 HIS 5 HD2 HIS 5 2.763 -4.695 -14.967 29 HE1 HIS 5 HE1 HIS 5 1.201 -8.095 -16.967 30 H SER 6 H SER 6 -1.337 -4.342 -11.901 31 HA SER 6 HA SER 6 -2.342 -3.827 -14.492 32 HB2 SER 6 2HB SER 6 -3.762 -2.926 -12.003 33 HB3 SER 6 3HB SER 6 -4.438 -3.604 -13.484 34 HG SER 6 HG SER 6 -4.080 -5.563 -12.761 35 H ALA 7 H ALA 7 -2.036 -1.630 -11.696 36 HA ALA 7 HA ALA 7 -2.732 0.729 -12.947 37 HB1 ALA 7 1HB ALA 7 -0.560 0.587 -10.875 38 HB2 ALA 7 2HB ALA 7 -1.741 1.870 -11.145 39 HB3 ALA 7 3HB ALA 7 -2.260 0.320 -10.483 40 H CYS 8 H CYS 8 0.450 -0.822 -12.788 41 HA CYS 8 HA CYS 8 1.838 1.253 -14.139 42 HB2 CYS 8 2HB CYS 8 2.771 -0.674 -12.674 43 HB3 CYS 8 3HB CYS 8 2.716 -1.621 -14.157 44 H ALA 9 H ALA 9 0.515 -1.864 -15.215 45 HA ALA 9 HA ALA 9 1.335 -1.850 -17.848 46 HB1 ALA 9 1HB ALA 9 -0.505 -3.334 -18.317 47 HB2 ALA 9 2HB ALA 9 0.162 -3.718 -16.730 48 HB3 ALA 9 3HB ALA 9 -1.345 -2.811 -16.857 49 H VAL 10 H VAL 10 -1.623 -0.408 -16.493 50 HA VAL 10 HA VAL 10 -2.533 0.650 -18.969 51 HB VAL 10 HB VAL 10 -3.248 1.547 -16.174 52 HG11 VAL 10 1HG1 VAL 10 -4.284 2.198 -18.880 53 HG12 VAL 10 2HG1 VAL 10 -5.445 2.049 -17.560 54 HG13 VAL 10 3HG1 VAL 10 -4.130 3.219 -17.451 55 HG21 VAL 10 3HG2 VAL 10 -5.347 0.062 -17.061 56 HG22 VAL 10 1HG2 VAL 10 -3.980 -0.815 -17.750 57 HG23 VAL 10 2HG2 VAL 10 -4.065 -0.540 -16.010 58 H ARG 11 H ARG 11 -0.880 2.113 -16.179 59 HA ARG 11 HA ARG 11 -0.756 4.728 -17.156 60 HB2 ARG 11 2HB ARG 11 -0.252 4.085 -14.822 61 HB3 ARG 11 3HB ARG 11 1.236 3.323 -15.367 62 HG2 ARG 11 2HG ARG 11 2.239 5.364 -15.876 63 HG3 ARG 11 3HG ARG 11 0.695 6.220 -15.898 64 HD2 ARG 11 2HD ARG 11 1.536 6.889 -13.869 65 HD3 ARG 11 3HD ARG 11 0.591 5.478 -13.392 66 HE ARG 11 HE ARG 11 2.531 4.447 -12.769 67 HH11 ARG 11 1HH1 ARG 11 3.300 7.107 -14.880 68 HH12 ARG 11 2HH1 ARG 11 5.011 6.961 -14.655 69 HH21 ARG 11 1HH2 ARG 11 4.783 4.246 -12.464 70 HH22 ARG 11 2HH2 ARG 11 5.854 5.333 -13.281 71 H CYS 12 H CYS 12 0.982 1.908 -18.074 72 HA CYS 12 HA CYS 12 3.154 3.373 -19.319 73 HB2 CYS 12 2HB CYS 12 2.457 0.458 -19.069 74 HB3 CYS 12 3HB CYS 12 3.716 0.998 -20.176 75 H LEU 13 H LEU 13 0.486 1.273 -20.391 76 HA LEU 13 HA LEU 13 0.915 1.606 -23.148 77 HB2 LEU 13 2HB LEU 13 -0.933 0.337 -23.426 78 HB3 LEU 13 3HB LEU 13 -0.653 0.004 -21.719 79 HG LEU 13 HG LEU 13 -2.286 2.078 -21.434 80 HD11 LEU 13 1HD1 LEU 13 -2.418 1.515 -24.232 81 HD12 LEU 13 2HD1 LEU 13 -3.259 2.757 -23.304 82 HD13 LEU 13 3HD1 LEU 13 -3.976 1.156 -23.487 83 HD21 LEU 13 3HD2 LEU 13 -3.810 -0.315 -22.139 84 HD22 LEU 13 1HD2 LEU 13 -3.684 0.541 -20.603 85 HD23 LEU 13 2HD2 LEU 13 -2.445 -0.625 -21.065 86 H ALA 14 H ALA 14 -0.604 3.625 -20.782 87 HA ALA 14 HA ALA 14 -2.027 5.246 -22.697 88 HB1 ALA 14 1HB ALA 14 -2.494 6.696 -20.737 89 HB2 ALA 14 2HB ALA 14 -2.971 5.014 -20.502 90 HB3 ALA 14 3HB ALA 14 -1.495 5.625 -19.755 91 H GLN 15 H GLN 15 1.122 5.182 -21.285 92 HA GLN 15 HA GLN 15 1.684 7.940 -22.055 93 HB2 GLN 15 2HB GLN 15 2.794 6.045 -20.163 94 HB3 GLN 15 3HB GLN 15 4.053 6.760 -21.162 95 HG2 GLN 15 2HG GLN 15 3.047 9.008 -20.569 96 HG3 GLN 15 3HG GLN 15 2.107 8.149 -19.350 97 HE21 GLN 15 1HE2 GLN 15 3.070 7.503 -17.492 98 HE22 GLN 15 2HE2 GLN 15 4.710 7.858 -17.081 99 H ARG 16 H ARG 16 1.257 5.520 -23.898 100 HA ARG 16 HA ARG 16 2.021 4.842 -25.931 101 HB2 ARG 16 2HB ARG 16 4.015 7.101 -25.790 102 HB3 ARG 16 3HB ARG 16 3.348 6.337 -27.227 103 HG2 ARG 16 2HG ARG 16 1.748 7.961 -25.261 104 HG3 ARG 16 3HG ARG 16 2.420 8.581 -26.771 105 HD2 ARG 16 2HD ARG 16 0.946 7.399 -28.072 106 HD3 ARG 16 3HD ARG 16 0.725 6.136 -26.862 107 HE ARG 16 HE ARG 16 -0.323 8.619 -25.963 108 HH11 ARG 16 1HH1 ARG 16 -0.979 5.936 -28.083 109 HH12 ARG 16 2HH1 ARG 16 -2.699 6.129 -28.007 110 HH21 ARG 16 1HH2 ARG 16 -2.586 8.883 -25.856 111 HH22 ARG 16 2HH2 ARG 16 -3.612 7.806 -26.741 112 H ARG 17 H ARG 17 2.949 3.334 -23.964 113 HA ARG 17 HA ARG 17 5.732 2.806 -24.751 114 HB2 ARG 17 2HB ARG 17 4.704 2.434 -21.938 115 HB3 ARG 17 3HB ARG 17 6.364 2.297 -22.501 116 HG2 ARG 17 2HG ARG 17 4.779 4.854 -22.547 117 HG3 ARG 17 3HG ARG 17 5.868 4.381 -21.241 118 HD2 ARG 17 2HD ARG 17 7.479 4.044 -23.388 119 HD3 ARG 17 3HD ARG 17 6.466 5.374 -23.947 120 HE ARG 17 HE ARG 17 7.438 5.841 -21.316 121 HH11 ARG 17 1HH1 ARG 17 8.355 5.911 -24.674 122 HH12 ARG 17 2HH1 ARG 17 9.576 7.120 -24.450 123 HH21 ARG 17 1HH2 ARG 17 9.043 7.433 -21.009 124 HH22 ARG 17 2HH2 ARG 17 9.967 7.984 -22.365 125 H LYS 18 H LYS 18 2.867 1.712 -25.230 126 HA LYS 18 HA LYS 18 1.848 -0.305 -25.527 127 HB2 LYS 18 2HB LYS 18 4.707 -1.272 -25.708 128 HB3 LYS 18 3HB LYS 18 3.291 -2.119 -26.316 129 HG2 LYS 18 2HG LYS 18 2.902 -0.409 -27.955 130 HG3 LYS 18 3HG LYS 18 4.193 0.587 -27.279 131 HD2 LYS 18 2HD LYS 18 5.301 -0.388 -29.033 132 HD3 LYS 18 3HD LYS 18 5.646 -1.556 -27.756 133 HE2 LYS 18 2HE LYS 18 4.180 -3.118 -28.608 134 HE3 LYS 18 3HE LYS 18 3.206 -1.906 -29.438 135 HZ1 LYS 18 3HZ LYS 18 5.980 -2.523 -30.263 136 HZ2 LYS 18 1HZ LYS 18 4.781 -1.715 -31.141 137 HZ3 LYS 18 2HZ LYS 18 4.653 -3.379 -30.869 138 H GLY 19 H GLY 19 2.471 0.494 -22.777 139 HA2 GLY 19 2HA GLY 19 1.922 -0.494 -20.745 140 HA3 GLY 19 3HA GLY 19 1.944 -2.064 -21.534 141 H GLY 20 H GLY 20 2.996 -2.250 -19.205 142 HA2 GLY 20 2HA GLY 20 5.862 -2.483 -19.720 143 HA3 GLY 20 3HA GLY 20 5.382 -1.499 -18.345 144 H LYS 21 H LYS 21 6.416 -2.880 -16.882 145 HA LYS 21 HA LYS 21 4.789 -5.081 -16.001 146 HB2 LYS 21 2HB LYS 21 6.689 -6.721 -16.034 147 HB3 LYS 21 3HB LYS 21 6.046 -6.313 -17.619 148 HG2 LYS 21 2HG LYS 21 8.234 -4.576 -16.841 149 HG3 LYS 21 3HG LYS 21 8.696 -6.279 -16.866 150 HD2 LYS 21 2HD LYS 21 7.345 -6.180 -19.167 151 HD3 LYS 21 3HD LYS 21 7.865 -4.495 -19.084 152 HE2 LYS 21 2HE LYS 21 9.700 -6.876 -18.836 153 HE3 LYS 21 3HE LYS 21 9.436 -5.966 -20.322 154 HZ1 LYS 21 3HZ LYS 21 10.331 -4.615 -17.855 155 HZ2 LYS 21 1HZ LYS 21 10.482 -4.100 -19.459 156 HZ3 LYS 21 2HZ LYS 21 11.442 -5.368 -18.884 157 H CYS 22 H CYS 22 5.626 -6.030 -13.960 158 HA CYS 22 HA CYS 22 6.758 -3.920 -12.315 159 HB2 CYS 22 2HB CYS 22 4.762 -5.672 -11.834 160 HB3 CYS 22 3HB CYS 22 6.108 -6.551 -11.116 161 H LYS 23 H LYS 23 8.774 -3.871 -11.544 162 HA LYS 23 HA LYS 23 10.464 -6.250 -11.960 163 HB2 LYS 23 2HB LYS 23 11.104 -4.372 -13.401 164 HB3 LYS 23 3HB LYS 23 11.262 -3.333 -11.991 165 HG2 LYS 23 2HG LYS 23 12.887 -5.524 -11.444 166 HG3 LYS 23 3HG LYS 23 13.161 -5.163 -13.150 167 HD2 LYS 23 2HD LYS 23 14.039 -3.093 -12.711 168 HD3 LYS 23 3HD LYS 23 13.116 -2.899 -11.219 169 HE2 LYS 23 2HE LYS 23 15.037 -5.104 -11.153 170 HE3 LYS 23 3HE LYS 23 15.778 -3.520 -11.374 171 HZ1 LYS 23 3HZ LYS 23 15.479 -3.108 -9.234 172 HZ2 LYS 23 1HZ LYS 23 14.815 -4.648 -9.015 173 HZ3 LYS 23 2HZ LYS 23 13.809 -3.338 -9.379 174 H ASN 24 H ASN 24 10.014 -7.092 -9.893 175 HA ASN 24 HA ASN 24 10.261 -7.378 -7.646 176 HB2 ASN 24 2HB ASN 24 12.730 -5.748 -8.266 177 HB3 ASN 24 3HB ASN 24 12.444 -6.528 -6.714 178 HD21 ASN 24 1HD2 ASN 24 13.220 -6.985 -10.054 179 HD22 ASN 24 2HD2 ASN 24 13.661 -8.652 -9.939 180 H GLY 25 H GLY 25 8.405 -5.473 -8.154 181 HA2 GLY 25 2HA GLY 25 7.253 -4.118 -6.570 182 HA3 GLY 25 3HA GLY 25 8.803 -3.653 -5.885 183 H ASP 26 H ASP 26 9.884 -3.188 -8.640 184 HA ASP 26 HA ASP 26 9.048 -0.431 -8.831 185 HB2 ASP 26 2HB ASP 26 11.110 -2.060 -10.320 186 HB3 ASP 26 3HB ASP 26 10.783 -0.366 -10.676 187 H CYS 27 H CYS 27 8.858 0.428 -11.207 188 HA CYS 27 HA CYS 27 7.087 -1.352 -12.740 189 HB2 CYS 27 2HB CYS 27 5.671 0.192 -11.494 190 HB3 CYS 27 3HB CYS 27 6.594 1.564 -12.100 191 H VAL 28 H VAL 28 8.180 -1.740 -14.556 192 HA VAL 28 HA VAL 28 9.630 0.474 -15.839 193 HB VAL 28 HB VAL 28 9.892 -2.472 -16.445 194 HG11 VAL 28 1HG1 VAL 28 10.787 -0.159 -17.787 195 HG12 VAL 28 2HG1 VAL 28 12.202 -0.900 -17.037 196 HG13 VAL 28 3HG1 VAL 28 11.188 -1.841 -18.132 197 HG21 VAL 28 3HG2 VAL 28 10.618 -2.241 -14.206 198 HG22 VAL 28 1HG2 VAL 28 12.080 -2.230 -15.193 199 HG23 VAL 28 2HG2 VAL 28 11.438 -0.718 -14.550 200 H CYS 29 H CYS 29 9.019 1.234 -17.775 201 HA CYS 29 HA CYS 29 6.690 -0.019 -19.047 202 HB2 CYS 29 2HB CYS 29 7.797 2.779 -19.081 203 HB3 CYS 29 3HB CYS 29 6.640 2.241 -20.294 204 H ARG 30 H ARG 30 6.997 -1.186 -20.814 205 HA ARG 30 HA ARG 30 9.529 -1.135 -22.196 206 HB2 ARG 30 2HB ARG 30 7.222 -2.916 -22.030 207 HB3 ARG 30 3HB ARG 30 7.840 -2.758 -23.668 208 HG2 ARG 30 2HG ARG 30 10.149 -3.189 -22.524 209 HG3 ARG 30 3HG ARG 30 9.152 -3.889 -21.247 210 HD2 ARG 30 2HD ARG 30 9.102 -4.675 -24.159 211 HD3 ARG 30 3HD ARG 30 9.879 -5.581 -22.862 212 HE ARG 30 HE ARG 30 7.130 -5.138 -22.302 213 HH11 ARG 30 1HH1 ARG 30 9.292 -7.084 -24.216 214 HH12 ARG 30 2HH1 ARG 30 8.200 -8.425 -24.323 215 HH21 ARG 30 1HH2 ARG 30 5.684 -6.897 -22.436 216 HH22 ARG 30 2HH2 ARG 30 6.147 -8.317 -23.311 Start of MODEL 8 1 H1 PHE 1 H PHE 1 0.504 1.988 -6.978 2 HA PHE 1 HA PHE 1 2.362 1.517 -5.515 3 HB2 PHE 1 2HB PHE 1 1.267 1.608 -3.259 4 HB3 PHE 1 3HB PHE 1 0.695 2.830 -4.389 5 HD1 PHE 1 HD1 PHE 1 -0.152 -0.274 -2.633 6 HD2 PHE 1 HD2 PHE 1 -1.557 2.812 -5.206 7 HE1 PHE 1 HE1 PHE 1 -2.467 -1.020 -2.258 8 HE2 PHE 1 HE2 PHE 1 -3.874 2.072 -4.834 9 HZ PHE 1 HZ PHE 1 -4.331 0.154 -3.359 10 H SER 2 H SER 2 3.249 0.126 -3.831 11 HA SER 2 HA SER 2 3.962 -1.907 -3.101 12 HB2 SER 2 2HB SER 2 0.986 -2.311 -3.244 13 HB3 SER 2 3HB SER 2 2.051 -3.632 -2.764 14 HG SER 2 HG SER 2 2.699 -2.474 -1.007 15 H CYS 3 H CYS 3 4.309 -1.436 -5.819 16 HA CYS 3 HA CYS 3 4.814 -2.475 -7.779 17 HB2 CYS 3 2HB CYS 3 5.998 -3.954 -6.048 18 HB3 CYS 3 3HB CYS 3 4.669 -5.086 -6.282 19 H ASP 4 H ASP 4 2.377 -1.796 -8.019 20 HA ASP 4 HA ASP 4 0.624 -4.087 -8.415 21 HB2 ASP 4 2HB ASP 4 0.276 -1.231 -8.003 22 HB3 ASP 4 3HB ASP 4 -0.686 -1.813 -9.359 23 H HIS 5 H HIS 5 1.021 -5.207 -10.220 24 HA HIS 5 HA HIS 5 2.234 -4.276 -12.543 25 HB2 HIS 5 2HB HIS 5 0.601 -6.652 -11.825 26 HB3 HIS 5 3HB HIS 5 0.787 -6.303 -13.541 27 HD1 HIS 5 HD1 HIS 5 2.628 -7.629 -14.492 28 HD2 HIS 5 HD2 HIS 5 3.439 -6.466 -10.587 29 HE1 HIS 5 HE1 HIS 5 4.910 -8.551 -13.976 30 H SER 6 H SER 6 -1.141 -4.262 -11.582 31 HA SER 6 HA SER 6 -2.246 -3.618 -14.098 32 HB2 SER 6 2HB SER 6 -3.342 -2.894 -11.371 33 HB3 SER 6 3HB SER 6 -4.254 -3.018 -12.876 34 HG SER 6 HG SER 6 -3.351 -5.297 -12.836 35 H ALA 7 H ALA 7 -1.534 -1.530 -11.296 36 HA ALA 7 HA ALA 7 -2.196 0.911 -12.402 37 HB1 ALA 7 1HB ALA 7 -1.727 1.027 -10.153 38 HB2 ALA 7 2HB ALA 7 -0.245 0.082 -10.302 39 HB3 ALA 7 3HB ALA 7 -0.279 1.760 -10.844 40 H CYS 8 H CYS 8 0.987 -0.689 -12.456 41 HA CYS 8 HA CYS 8 2.271 1.292 -14.000 42 HB2 CYS 8 2HB CYS 8 3.284 -0.640 -12.593 43 HB3 CYS 8 3HB CYS 8 3.078 -1.602 -14.053 44 H ALA 9 H ALA 9 0.703 -1.762 -14.888 45 HA ALA 9 HA ALA 9 1.306 -1.865 -17.577 46 HB1 ALA 9 1HB ALA 9 -0.797 -3.134 -17.846 47 HB2 ALA 9 2HB ALA 9 0.160 -3.673 -16.465 48 HB3 ALA 9 3HB ALA 9 -1.262 -2.660 -16.212 49 H VAL 10 H VAL 10 -1.429 -0.192 -16.034 50 HA VAL 10 HA VAL 10 -2.464 0.869 -18.458 51 HB VAL 10 HB VAL 10 -2.889 1.926 -15.661 52 HG11 VAL 10 1HG1 VAL 10 -5.013 2.759 -16.585 53 HG12 VAL 10 2HG1 VAL 10 -3.611 3.471 -17.386 54 HG13 VAL 10 3HG1 VAL 10 -4.526 2.190 -18.181 55 HG21 VAL 10 3HG2 VAL 10 -3.687 -0.564 -16.858 56 HG22 VAL 10 1HG2 VAL 10 -3.936 0.018 -15.211 57 HG23 VAL 10 2HG2 VAL 10 -5.103 0.415 -16.473 58 H ARG 11 H ARG 11 -0.496 2.279 -15.852 59 HA ARG 11 HA ARG 11 -0.276 4.855 -16.911 60 HB2 ARG 11 2HB ARG 11 0.417 3.984 -14.595 61 HB3 ARG 11 3HB ARG 11 1.925 3.508 -15.363 62 HG2 ARG 11 2HG ARG 11 2.568 5.701 -15.755 63 HG3 ARG 11 3HG ARG 11 0.920 6.314 -15.598 64 HD2 ARG 11 2HD ARG 11 1.740 6.963 -13.576 65 HD3 ARG 11 3HD ARG 11 1.193 5.342 -13.148 66 HE ARG 11 HE ARG 11 3.741 4.918 -13.900 67 HH11 ARG 11 1HH1 ARG 11 2.281 7.198 -11.713 68 HH12 ARG 11 2HH1 ARG 11 3.667 7.292 -10.678 69 HH21 ARG 11 1HH2 ARG 11 5.573 5.032 -12.546 70 HH22 ARG 11 2HH2 ARG 11 5.539 6.060 -11.154 71 H CYS 12 H CYS 12 1.189 1.901 -17.882 72 HA CYS 12 HA CYS 12 3.346 3.183 -19.338 73 HB2 CYS 12 2HB CYS 12 2.477 0.330 -18.950 74 HB3 CYS 12 3HB CYS 12 3.675 0.755 -20.167 75 H LEU 13 H LEU 13 0.464 1.250 -20.133 76 HA LEU 13 HA LEU 13 0.689 1.487 -22.924 77 HB2 LEU 13 2HB LEU 13 -1.256 0.344 -23.018 78 HB3 LEU 13 3HB LEU 13 -0.861 0.032 -21.329 79 HG LEU 13 HG LEU 13 -2.323 2.220 -20.976 80 HD11 LEU 13 1HD1 LEU 13 -2.719 1.602 -23.737 81 HD12 LEU 13 2HD1 LEU 13 -3.396 2.921 -22.782 82 HD13 LEU 13 3HD1 LEU 13 -4.232 1.370 -22.861 83 HD21 LEU 13 3HD2 LEU 13 -2.633 -0.453 -20.514 84 HD22 LEU 13 1HD2 LEU 13 -4.054 -0.081 -21.491 85 HD23 LEU 13 2HD2 LEU 13 -3.755 0.805 -19.995 86 H ALA 14 H ALA 14 -0.493 3.662 -20.504 87 HA ALA 14 HA ALA 14 -1.955 5.332 -22.346 88 HB1 ALA 14 1HB ALA 14 -1.109 5.952 -19.520 89 HB2 ALA 14 2HB ALA 14 -2.358 6.768 -20.462 90 HB3 ALA 14 3HB ALA 14 -2.587 5.094 -19.957 91 H GLN 15 H GLN 15 1.287 5.083 -21.188 92 HA GLN 15 HA GLN 15 1.968 7.776 -22.078 93 HB2 GLN 15 2HB GLN 15 3.099 5.854 -20.227 94 HB3 GLN 15 3HB GLN 15 4.318 6.456 -21.342 95 HG2 GLN 15 2HG GLN 15 3.515 8.782 -20.736 96 HG3 GLN 15 3HG GLN 15 2.625 8.017 -19.421 97 HE21 GLN 15 1HE2 GLN 15 3.644 8.235 -17.575 98 HE22 GLN 15 2HE2 GLN 15 5.352 8.143 -17.331 99 H ARG 16 H ARG 16 1.232 5.350 -23.812 100 HA ARG 16 HA ARG 16 1.781 4.574 -25.878 101 HB2 ARG 16 2HB ARG 16 3.908 6.714 -25.940 102 HB3 ARG 16 3HB ARG 16 3.130 5.936 -27.311 103 HG2 ARG 16 2HG ARG 16 1.080 7.087 -25.761 104 HG3 ARG 16 3HG ARG 16 2.362 8.292 -25.905 105 HD2 ARG 16 2HD ARG 16 2.169 8.424 -28.189 106 HD3 ARG 16 3HD ARG 16 1.532 6.787 -28.336 107 HE ARG 16 HE ARG 16 -0.581 7.627 -28.088 108 HH11 ARG 16 1HH1 ARG 16 1.724 10.021 -27.052 109 HH12 ARG 16 2HH1 ARG 16 0.538 11.270 -26.864 110 HH21 ARG 16 1HH2 ARG 16 -2.152 9.263 -27.845 111 HH22 ARG 16 2HH2 ARG 16 -1.666 10.838 -27.315 112 H ARG 17 H ARG 17 2.762 3.050 -23.949 113 HA ARG 17 HA ARG 17 5.430 2.313 -24.939 114 HB2 ARG 17 2HB ARG 17 4.624 2.052 -22.045 115 HB3 ARG 17 3HB ARG 17 6.223 1.837 -22.744 116 HG2 ARG 17 2HG ARG 17 4.718 4.441 -22.583 117 HG3 ARG 17 3HG ARG 17 6.035 3.940 -21.519 118 HD2 ARG 17 2HD ARG 17 6.998 3.606 -24.125 119 HD3 ARG 17 3HD ARG 17 6.145 5.149 -24.130 120 HE ARG 17 HE ARG 17 7.680 5.254 -21.888 121 HH11 ARG 17 1HH1 ARG 17 8.324 4.644 -25.254 122 HH12 ARG 17 2HH1 ARG 17 9.926 5.302 -25.202 123 HH21 ARG 17 1HH2 ARG 17 9.788 6.123 -21.806 124 HH22 ARG 17 2HH2 ARG 17 10.758 6.142 -23.239 125 H LYS 18 H LYS 18 2.468 1.410 -25.157 126 HA LYS 18 HA LYS 18 1.295 -0.538 -25.314 127 HB2 LYS 18 2HB LYS 18 3.614 -0.851 -26.676 128 HB3 LYS 18 3HB LYS 18 3.739 -2.188 -25.540 129 HG2 LYS 18 2HG LYS 18 2.625 -3.283 -27.158 130 HG3 LYS 18 3HG LYS 18 1.220 -2.554 -26.378 131 HD2 LYS 18 2HD LYS 18 0.760 -1.824 -28.461 132 HD3 LYS 18 3HD LYS 18 1.936 -0.567 -28.068 133 HE2 LYS 18 2HE LYS 18 2.916 -3.138 -29.209 134 HE3 LYS 18 3HE LYS 18 2.123 -1.987 -30.284 135 HZ1 LYS 18 3HZ LYS 18 4.749 -1.919 -29.230 136 HZ2 LYS 18 1HZ LYS 18 3.911 -0.522 -28.771 137 HZ3 LYS 18 2HZ LYS 18 4.048 -0.926 -30.408 138 H GLY 19 H GLY 19 2.192 0.279 -22.646 139 HA2 GLY 19 2HA GLY 19 1.745 -0.621 -20.550 140 HA3 GLY 19 3HA GLY 19 1.597 -2.207 -21.292 141 H GLY 20 H GLY 20 2.836 -2.270 -18.990 142 HA2 GLY 20 2HA GLY 20 5.589 -2.872 -19.736 143 HA3 GLY 20 3HA GLY 20 5.372 -1.677 -18.465 144 H LYS 21 H LYS 21 6.440 -3.008 -16.963 145 HA LYS 21 HA LYS 21 4.690 -4.901 -15.663 146 HB2 LYS 21 2HB LYS 21 6.422 -6.701 -15.617 147 HB3 LYS 21 3HB LYS 21 5.736 -6.411 -17.210 148 HG2 LYS 21 2HG LYS 21 7.992 -4.744 -16.995 149 HG3 LYS 21 3HG LYS 21 8.465 -6.329 -16.379 150 HD2 LYS 21 2HD LYS 21 6.911 -6.178 -18.918 151 HD3 LYS 21 3HD LYS 21 8.627 -5.765 -18.945 152 HE2 LYS 21 2HE LYS 21 8.464 -8.114 -17.450 153 HE3 LYS 21 3HE LYS 21 7.354 -8.353 -18.799 154 HZ1 LYS 21 3HZ LYS 21 9.173 -8.917 -19.931 155 HZ2 LYS 21 1HZ LYS 21 10.225 -8.246 -18.788 156 HZ3 LYS 21 2HZ LYS 21 9.533 -7.264 -19.979 157 H CYS 22 H CYS 22 5.723 -5.742 -13.610 158 HA CYS 22 HA CYS 22 7.069 -3.516 -12.306 159 HB2 CYS 22 2HB CYS 22 5.035 -4.787 -11.368 160 HB3 CYS 22 3HB CYS 22 6.181 -6.063 -10.969 161 H LYS 23 H LYS 23 9.084 -3.577 -11.426 162 HA LYS 23 HA LYS 23 10.659 -6.023 -11.904 163 HB2 LYS 23 2HB LYS 23 11.304 -4.164 -13.391 164 HB3 LYS 23 3HB LYS 23 11.613 -3.154 -11.985 165 HG2 LYS 23 2HG LYS 23 13.288 -4.958 -11.290 166 HG3 LYS 23 3HG LYS 23 13.141 -5.544 -12.948 167 HD2 LYS 23 2HD LYS 23 13.531 -2.915 -13.403 168 HD3 LYS 23 3HD LYS 23 14.436 -3.108 -11.900 169 HE2 LYS 23 2HE LYS 23 15.191 -5.304 -13.383 170 HE3 LYS 23 3HE LYS 23 15.057 -4.029 -14.593 171 HZ1 LYS 23 3HZ LYS 23 17.155 -3.618 -13.924 172 HZ2 LYS 23 1HZ LYS 23 16.940 -4.310 -12.395 173 HZ3 LYS 23 2HZ LYS 23 16.385 -2.742 -12.698 174 H ASN 24 H ASN 24 10.118 -6.744 -9.772 175 HA ASN 24 HA ASN 24 10.419 -6.985 -7.526 176 HB2 ASN 24 2HB ASN 24 13.036 -5.595 -8.144 177 HB3 ASN 24 3HB ASN 24 12.691 -6.544 -6.701 178 HD21 ASN 24 1HD2 ASN 24 12.968 -6.707 -10.203 179 HD22 ASN 24 2HD2 ASN 24 13.406 -8.377 -10.274 180 H GLY 25 H GLY 25 8.870 -4.769 -8.193 181 HA2 GLY 25 2HA GLY 25 7.942 -3.294 -6.505 182 HA3 GLY 25 3HA GLY 25 9.585 -2.938 -5.992 183 H ASP 26 H ASP 26 10.419 -2.765 -8.876 184 HA ASP 26 HA ASP 26 9.803 0.045 -9.189 185 HB2 ASP 26 2HB ASP 26 11.778 -1.856 -10.327 186 HB3 ASP 26 3HB ASP 26 11.315 -0.496 -11.346 187 H CYS 27 H CYS 27 9.334 0.854 -11.459 188 HA CYS 27 HA CYS 27 7.328 -0.890 -12.735 189 HB2 CYS 27 2HB CYS 27 6.223 0.938 -11.574 190 HB3 CYS 27 3HB CYS 27 7.263 2.113 -12.374 191 H VAL 28 H VAL 28 8.348 -1.640 -14.501 192 HA VAL 28 HA VAL 28 9.887 0.233 -16.155 193 HB VAL 28 HB VAL 28 9.735 -2.770 -16.430 194 HG11 VAL 28 1HG1 VAL 28 11.384 -0.621 -17.704 195 HG12 VAL 28 2HG1 VAL 28 11.996 -2.271 -17.579 196 HG13 VAL 28 3HG1 VAL 28 10.503 -1.948 -18.460 197 HG21 VAL 28 3HG2 VAL 28 11.589 -1.028 -14.834 198 HG22 VAL 28 1HG2 VAL 28 10.692 -2.456 -14.315 199 HG23 VAL 28 2HG2 VAL 28 12.073 -2.627 -15.399 200 H CYS 29 H CYS 29 9.274 0.794 -18.171 201 HA CYS 29 HA CYS 29 6.743 -0.340 -19.162 202 HB2 CYS 29 2HB CYS 29 7.939 2.411 -19.380 203 HB3 CYS 29 3HB CYS 29 6.704 1.868 -20.511 204 H ARG 30 H ARG 30 6.845 -1.533 -20.939 205 HA ARG 30 HA ARG 30 9.301 -1.623 -22.479 206 HB2 ARG 30 2HB ARG 30 6.800 -3.278 -22.388 207 HB3 ARG 30 3HB ARG 30 7.906 -3.422 -23.747 208 HG2 ARG 30 2HG ARG 30 9.626 -3.638 -21.669 209 HG3 ARG 30 3HG ARG 30 8.172 -4.367 -20.984 210 HD2 ARG 30 2HD ARG 30 9.521 -6.072 -22.040 211 HD3 ARG 30 3HD ARG 30 8.024 -5.850 -22.945 212 HE ARG 30 HE ARG 30 10.201 -4.284 -23.961 213 HH11 ARG 30 1HH1 ARG 30 8.684 -7.417 -24.009 214 HH12 ARG 30 2HH1 ARG 30 9.309 -7.840 -25.569 215 HH21 ARG 30 1HH2 ARG 30 11.029 -4.829 -26.015 216 HH22 ARG 30 2HH2 ARG 30 10.644 -6.367 -26.708 Start of MODEL 9 1 H1 PHE 1 H PHE 1 5.676 -7.152 -1.786 2 HA PHE 1 HA PHE 1 4.694 -4.967 -1.729 3 HB2 PHE 1 2HB PHE 1 7.283 -4.099 -3.035 4 HB3 PHE 1 3HB PHE 1 5.931 -3.046 -2.631 5 HD1 PHE 1 HD2 PHE 1 5.181 -3.848 0.031 6 HD2 PHE 1 HD1 PHE 1 9.058 -3.522 -1.694 7 HE1 PHE 1 HE2 PHE 1 6.139 -3.474 2.265 8 HE2 PHE 1 HE1 PHE 1 10.023 -3.148 0.538 9 HZ PHE 1 HZ PHE 1 8.563 -3.123 2.521 10 H SER 2 H SER 2 4.181 -3.447 -3.743 11 HA SER 2 HA SER 2 4.500 -4.451 -6.345 12 HB2 SER 2 2HB SER 2 1.893 -5.080 -6.442 13 HB3 SER 2 3HB SER 2 3.144 -6.278 -6.108 14 HG SER 2 HG SER 2 1.776 -6.561 -4.465 15 H CYS 3 H CYS 3 3.893 -2.936 -7.787 16 HA CYS 3 HA CYS 3 2.418 -0.622 -6.743 17 HB2 CYS 3 2HB CYS 3 3.466 0.680 -8.477 18 HB3 CYS 3 3HB CYS 3 4.714 -0.260 -7.665 19 H ASP 4 H ASP 4 1.181 -3.123 -7.704 20 HA ASP 4 HA ASP 4 -0.631 -3.770 -8.918 21 HB2 ASP 4 2HB ASP 4 -1.286 -1.348 -8.092 22 HB3 ASP 4 3HB ASP 4 -1.152 -0.964 -9.806 23 H HIS 5 H HIS 5 0.342 -4.920 -10.535 24 HA HIS 5 HA HIS 5 1.791 -3.934 -12.684 25 HB2 HIS 5 2HB HIS 5 0.290 -6.443 -12.141 26 HB3 HIS 5 3HB HIS 5 0.740 -6.121 -13.813 27 HD1 HIS 5 HD1 HIS 5 2.751 -7.466 -14.302 28 HD2 HIS 5 HD2 HIS 5 2.921 -5.762 -10.517 29 HE1 HIS 5 HE1 HIS 5 5.004 -8.098 -13.381 30 H SER 6 H SER 6 -1.639 -4.004 -12.160 31 HA SER 6 HA SER 6 -2.410 -3.619 -14.879 32 HB2 SER 6 2HB SER 6 -3.752 -3.620 -12.241 33 HB3 SER 6 3HB SER 6 -4.525 -2.645 -13.491 34 HG SER 6 HG SER 6 -4.323 -5.373 -13.260 35 H ALA 7 H ALA 7 -2.219 -1.418 -12.083 36 HA ALA 7 HA ALA 7 -2.958 0.936 -13.320 37 HB1 ALA 7 1HB ALA 7 -0.732 1.030 -11.348 38 HB2 ALA 7 2HB ALA 7 -2.189 2.019 -11.459 39 HB3 ALA 7 3HB ALA 7 -2.287 0.372 -10.837 40 H CYS 8 H CYS 8 0.326 -0.407 -13.012 41 HA CYS 8 HA CYS 8 1.597 1.652 -14.476 42 HB2 CYS 8 2HB CYS 8 2.643 -0.096 -12.898 43 HB3 CYS 8 3HB CYS 8 2.628 -1.171 -14.292 44 H ALA 9 H ALA 9 0.402 -1.554 -15.406 45 HA ALA 9 HA ALA 9 1.299 -1.683 -18.010 46 HB1 ALA 9 1HB ALA 9 -1.164 -2.743 -16.678 47 HB2 ALA 9 2HB ALA 9 -0.885 -3.000 -18.400 48 HB3 ALA 9 3HB ALA 9 0.273 -3.610 -17.219 49 H VAL 10 H VAL 10 -1.717 -0.211 -16.827 50 HA VAL 10 HA VAL 10 -2.572 0.681 -19.387 51 HB VAL 10 HB VAL 10 -3.379 1.725 -16.668 52 HG11 VAL 10 1HG1 VAL 10 -4.215 3.317 -18.087 53 HG12 VAL 10 2HG1 VAL 10 -4.373 2.191 -19.436 54 HG13 VAL 10 3HG1 VAL 10 -5.537 2.151 -18.111 55 HG21 VAL 10 3HG2 VAL 10 -5.396 0.111 -17.748 56 HG22 VAL 10 1HG2 VAL 10 -3.893 -0.783 -17.975 57 HG23 VAL 10 2HG2 VAL 10 -4.364 -0.245 -16.363 58 H ARG 11 H ARG 11 -1.020 2.335 -16.647 59 HA ARG 11 HA ARG 11 -0.907 4.889 -17.776 60 HB2 ARG 11 2HB ARG 11 -0.442 4.295 -15.381 61 HB3 ARG 11 3HB ARG 11 1.126 3.687 -15.894 62 HG2 ARG 11 2HG ARG 11 1.875 5.834 -16.504 63 HG3 ARG 11 3HG ARG 11 0.245 6.506 -16.424 64 HD2 ARG 11 2HD ARG 11 1.011 7.238 -14.415 65 HD3 ARG 11 3HD ARG 11 0.443 5.645 -13.916 66 HE ARG 11 HE ARG 11 3.028 5.218 -14.635 67 HH11 ARG 11 1HH1 ARG 11 1.445 7.416 -12.448 68 HH12 ARG 11 2HH1 ARG 11 2.788 7.505 -11.358 69 HH21 ARG 11 1HH2 ARG 11 4.804 5.327 -13.207 70 HH22 ARG 11 2HH2 ARG 11 4.699 6.316 -11.791 71 H CYS 12 H CYS 12 0.898 2.047 -18.472 72 HA CYS 12 HA CYS 12 3.084 3.470 -19.743 73 HB2 CYS 12 2HB CYS 12 2.422 0.565 -19.332 74 HB3 CYS 12 3HB CYS 12 3.701 1.054 -20.439 75 H LEU 13 H LEU 13 0.477 1.268 -20.759 76 HA LEU 13 HA LEU 13 0.981 1.440 -23.518 77 HB2 LEU 13 2HB LEU 13 -0.840 0.127 -23.771 78 HB3 LEU 13 3HB LEU 13 -0.604 -0.098 -22.039 79 HG LEU 13 HG LEU 13 -2.275 1.962 -21.926 80 HD11 LEU 13 1HD1 LEU 13 -3.890 0.892 -23.966 81 HD12 LEU 13 2HD1 LEU 13 -2.317 1.229 -24.687 82 HD13 LEU 13 3HD1 LEU 13 -3.201 2.512 -23.862 83 HD21 LEU 13 3HD2 LEU 13 -3.722 -0.512 -22.533 84 HD22 LEU 13 1HD2 LEU 13 -3.695 0.459 -21.061 85 HD23 LEU 13 2HD2 LEU 13 -2.404 -0.700 -21.375 86 H ALA 14 H ALA 14 -0.635 3.573 -21.322 87 HA ALA 14 HA ALA 14 -2.025 5.052 -23.372 88 HB1 ALA 14 1HB ALA 14 -2.868 4.818 -21.036 89 HB2 ALA 14 2HB ALA 14 -1.545 5.858 -20.509 90 HB3 ALA 14 3HB ALA 14 -2.773 6.484 -21.608 91 H GLN 15 H GLN 15 1.081 5.127 -21.867 92 HA GLN 15 HA GLN 15 1.624 7.841 -22.788 93 HB2 GLN 15 2HB GLN 15 2.705 6.085 -20.751 94 HB3 GLN 15 3HB GLN 15 3.983 6.760 -21.754 95 HG2 GLN 15 2HG GLN 15 2.915 9.021 -21.331 96 HG3 GLN 15 3HG GLN 15 1.964 8.218 -20.083 97 HE21 GLN 15 1HE2 GLN 15 3.541 6.657 -18.754 98 HE22 GLN 15 2HE2 GLN 15 4.912 7.479 -18.101 99 H ARG 16 H ARG 16 1.291 5.307 -24.491 100 HA ARG 16 HA ARG 16 2.127 4.519 -26.454 101 HB2 ARG 16 2HB ARG 16 4.082 6.815 -26.391 102 HB3 ARG 16 3HB ARG 16 3.476 5.952 -27.798 103 HG2 ARG 16 2HG ARG 16 1.857 7.741 -25.996 104 HG3 ARG 16 3HG ARG 16 2.468 8.157 -27.598 105 HD2 ARG 16 2HD ARG 16 0.453 6.022 -26.916 106 HD3 ARG 16 3HD ARG 16 0.150 7.531 -27.775 107 HE ARG 16 HE ARG 16 1.260 5.108 -28.859 108 HH11 ARG 16 1HH1 ARG 16 0.990 8.559 -29.225 109 HH12 ARG 16 2HH1 ARG 16 1.304 8.534 -30.929 110 HH21 ARG 16 1HH2 ARG 16 1.674 5.061 -31.102 111 HH22 ARG 16 2HH2 ARG 16 1.692 6.544 -31.995 112 H ARG 17 H ARG 17 3.014 3.148 -24.371 113 HA ARG 17 HA ARG 17 5.827 2.617 -25.039 114 HB2 ARG 17 2HB ARG 17 4.711 2.406 -22.242 115 HB3 ARG 17 3HB ARG 17 6.390 2.248 -22.741 116 HG2 ARG 17 2HG ARG 17 4.791 4.783 -23.001 117 HG3 ARG 17 3HG ARG 17 5.836 4.403 -21.631 118 HD2 ARG 17 2HD ARG 17 7.531 3.948 -23.683 119 HD3 ARG 17 3HD ARG 17 6.523 5.216 -24.379 120 HE ARG 17 HE ARG 17 7.459 6.719 -22.921 121 HH11 ARG 17 1HH1 ARG 17 8.226 3.481 -21.896 122 HH12 ARG 17 2HH1 ARG 17 9.353 3.993 -20.683 123 HH21 ARG 17 1HH2 ARG 17 8.940 7.404 -21.328 124 HH22 ARG 17 2HH2 ARG 17 9.758 6.224 -20.361 125 H LYS 18 H LYS 18 2.993 1.452 -25.538 126 HA LYS 18 HA LYS 18 2.012 -0.595 -25.743 127 HB2 LYS 18 2HB LYS 18 4.557 -0.747 -26.762 128 HB3 LYS 18 3HB LYS 18 4.526 -2.106 -25.647 129 HG2 LYS 18 2HG LYS 18 2.161 -2.440 -26.919 130 HG3 LYS 18 3HG LYS 18 3.139 -1.725 -28.203 131 HD2 LYS 18 2HD LYS 18 4.897 -3.516 -27.290 132 HD3 LYS 18 3HD LYS 18 3.405 -4.343 -26.837 133 HE2 LYS 18 2HE LYS 18 2.884 -4.820 -28.968 134 HE3 LYS 18 3HE LYS 18 3.391 -3.235 -29.548 135 HZ1 LYS 18 3HZ LYS 18 4.930 -5.705 -29.307 136 HZ2 LYS 18 1HZ LYS 18 5.749 -4.254 -29.017 137 HZ3 LYS 18 2HZ LYS 18 4.983 -4.510 -30.503 138 H GLY 19 H GLY 19 2.538 0.376 -23.029 139 HA2 GLY 19 2HA GLY 19 1.942 -0.496 -20.958 140 HA3 GLY 19 3HA GLY 19 2.007 -2.110 -21.650 141 H GLY 20 H GLY 20 2.990 -2.096 -19.265 142 HA2 GLY 20 2HA GLY 20 5.818 -2.539 -19.664 143 HA3 GLY 20 3HA GLY 20 5.450 -1.219 -18.563 144 H LYS 21 H LYS 21 6.305 -2.215 -16.756 145 HA LYS 21 HA LYS 21 4.553 -4.080 -15.443 146 HB2 LYS 21 2HB LYS 21 6.323 -5.767 -15.006 147 HB3 LYS 21 3HB LYS 21 5.859 -5.675 -16.700 148 HG2 LYS 21 2HG LYS 21 8.135 -3.987 -15.889 149 HG3 LYS 21 3HG LYS 21 8.401 -5.732 -15.853 150 HD2 LYS 21 2HD LYS 21 7.055 -4.656 -18.255 151 HD3 LYS 21 3HD LYS 21 8.755 -4.226 -18.050 152 HE2 LYS 21 2HE LYS 21 7.866 -7.065 -17.730 153 HE3 LYS 21 3HE LYS 21 8.116 -6.393 -19.340 154 HZ1 LYS 21 3HZ LYS 21 10.134 -6.522 -17.165 155 HZ2 LYS 21 1HZ LYS 21 10.382 -5.804 -18.676 156 HZ3 LYS 21 2HZ LYS 21 10.111 -7.470 -18.566 157 H CYS 22 H CYS 22 5.338 -4.573 -13.200 158 HA CYS 22 HA CYS 22 6.569 -2.162 -12.093 159 HB2 CYS 22 2HB CYS 22 4.676 -4.216 -11.095 160 HB3 CYS 22 3HB CYS 22 5.787 -3.537 -9.910 161 H LYS 23 H LYS 23 8.300 -2.224 -10.644 162 HA LYS 23 HA LYS 23 9.710 -4.779 -10.358 163 HB2 LYS 23 2HB LYS 23 10.709 -2.305 -11.691 164 HB3 LYS 23 3HB LYS 23 11.844 -3.240 -10.726 165 HG2 LYS 23 2HG LYS 23 11.038 -5.252 -12.106 166 HG3 LYS 23 3HG LYS 23 10.379 -4.042 -13.210 167 HD2 LYS 23 2HD LYS 23 12.441 -3.334 -13.881 168 HD3 LYS 23 3HD LYS 23 13.195 -3.708 -12.329 169 HE2 LYS 23 2HE LYS 23 12.250 -5.827 -14.246 170 HE3 LYS 23 3HE LYS 23 13.880 -5.156 -14.290 171 HZ1 LYS 23 3HZ LYS 23 13.772 -5.788 -11.750 172 HZ2 LYS 23 1HZ LYS 23 14.227 -6.917 -12.925 173 HZ3 LYS 23 2HZ LYS 23 12.650 -6.922 -12.313 174 H ASN 24 H ASN 24 9.365 -4.937 -8.187 175 HA ASN 24 HA ASN 24 9.526 -4.499 -5.957 176 HB2 ASN 24 2HB ASN 24 12.019 -3.224 -7.060 177 HB3 ASN 24 3HB ASN 24 11.673 -3.205 -5.333 178 HD21 ASN 24 1HD2 ASN 24 11.401 -5.597 -7.945 179 HD22 ASN 24 2HD2 ASN 24 12.248 -6.851 -7.112 180 H GLY 25 H GLY 25 7.672 -2.891 -7.103 181 HA2 GLY 25 2HA GLY 25 6.421 -1.126 -6.157 182 HA3 GLY 25 3HA GLY 25 7.898 -0.489 -5.450 183 H ASP 26 H ASP 26 9.332 -0.745 -8.038 184 HA ASP 26 HA ASP 26 8.687 1.852 -9.048 185 HB2 ASP 26 2HB ASP 26 10.568 -0.208 -10.218 186 HB3 ASP 26 3HB ASP 26 10.547 1.518 -10.572 187 H CYS 27 H CYS 27 8.299 2.291 -11.359 188 HA CYS 27 HA CYS 27 6.608 0.214 -12.590 189 HB2 CYS 27 2HB CYS 27 5.180 1.976 -11.759 190 HB3 CYS 27 3HB CYS 27 6.183 3.206 -12.522 191 H VAL 28 H VAL 28 7.974 -0.583 -14.105 192 HA VAL 28 HA VAL 28 9.481 1.255 -15.799 193 HB VAL 28 HB VAL 28 9.489 -1.763 -15.878 194 HG11 VAL 28 1HG1 VAL 28 11.913 -1.011 -16.741 195 HG12 VAL 28 2HG1 VAL 28 10.534 -1.241 -17.818 196 HG13 VAL 28 3HG1 VAL 28 10.970 0.380 -17.274 197 HG21 VAL 28 3HG2 VAL 28 11.650 -1.516 -14.605 198 HG22 VAL 28 1HG2 VAL 28 11.178 0.152 -14.283 199 HG23 VAL 28 2HG2 VAL 28 10.185 -1.176 -13.684 200 H CYS 29 H CYS 29 9.077 1.608 -17.921 201 HA CYS 29 HA CYS 29 6.715 0.267 -19.066 202 HB2 CYS 29 2HB CYS 29 7.718 3.093 -19.331 203 HB3 CYS 29 3HB CYS 29 6.625 2.396 -20.522 204 H ARG 30 H ARG 30 7.097 -1.006 -20.745 205 HA ARG 30 HA ARG 30 9.672 -1.220 -21.927 206 HB2 ARG 30 2HB ARG 30 7.018 -2.513 -22.338 207 HB3 ARG 30 3HB ARG 30 8.211 -2.655 -23.621 208 HG2 ARG 30 2HG ARG 30 9.810 -3.563 -21.941 209 HG3 ARG 30 3HG ARG 30 8.492 -3.564 -20.768 210 HD2 ARG 30 2HD ARG 30 8.622 -5.103 -23.357 211 HD3 ARG 30 3HD ARG 30 8.708 -5.765 -21.726 212 HE ARG 30 HE ARG 30 6.318 -4.457 -21.796 213 HH11 ARG 30 1HH1 ARG 30 7.812 -6.945 -23.720 214 HH12 ARG 30 2HH1 ARG 30 6.311 -7.699 -24.145 215 HH21 ARG 30 1HH2 ARG 30 4.336 -5.441 -22.349 216 HH22 ARG 30 2HH2 ARG 30 4.335 -6.842 -23.366 Start of MODEL 10 1 H1 PHE 1 H PHE 1 2.004 -2.030 1.582 2 HA PHE 1 HA PHE 1 0.988 -0.994 -0.350 3 HB2 PHE 1 2HB PHE 1 2.322 0.355 -1.861 4 HB3 PHE 1 3HB PHE 1 2.498 0.974 -0.222 5 HD1 PHE 1 HD1 PHE 1 4.567 0.264 1.092 6 HD2 PHE 1 HD2 PHE 1 4.189 -0.210 -3.121 7 HE1 PHE 1 HE1 PHE 1 7.013 0.088 0.896 8 HE2 PHE 1 HE2 PHE 1 6.635 -0.387 -3.324 9 HZ PHE 1 HZ PHE 1 8.050 -0.239 -1.314 10 H SER 2 H SER 2 1.706 -1.407 -2.820 11 HA SER 2 HA SER 2 3.443 -3.640 -3.226 12 HB2 SER 2 2HB SER 2 0.526 -4.088 -2.851 13 HB3 SER 2 3HB SER 2 1.313 -4.972 -4.158 14 HG SER 2 HG SER 2 1.257 -5.881 -1.879 15 H CYS 3 H CYS 3 4.241 -3.392 -5.197 16 HA CYS 3 HA CYS 3 3.315 -1.482 -7.022 17 HB2 CYS 3 2HB CYS 3 5.641 -2.361 -6.936 18 HB3 CYS 3 3HB CYS 3 5.062 -3.881 -7.611 19 H ASP 4 H ASP 4 1.253 -1.658 -7.731 20 HA ASP 4 HA ASP 4 0.076 -4.144 -8.513 21 HB2 ASP 4 2HB ASP 4 -0.759 -1.296 -8.445 22 HB3 ASP 4 3HB ASP 4 -1.601 -2.339 -9.588 23 H HIS 5 H HIS 5 0.796 -5.182 -10.258 24 HA HIS 5 HA HIS 5 2.171 -4.098 -12.411 25 HB2 HIS 5 2HB HIS 5 2.141 -6.497 -11.926 26 HB3 HIS 5 3HB HIS 5 0.436 -6.576 -12.359 27 HD1 HIS 5 HD1 HIS 5 1.035 -8.324 -14.206 28 HD2 HIS 5 HD2 HIS 5 2.728 -4.569 -14.752 29 HE1 HIS 5 HE1 HIS 5 1.859 -8.297 -16.582 30 H SER 6 H SER 6 -1.284 -4.483 -11.905 31 HA SER 6 HA SER 6 -2.137 -3.936 -14.528 32 HB2 SER 6 2HB SER 6 -3.573 -3.373 -11.922 33 HB3 SER 6 3HB SER 6 -4.322 -3.440 -13.517 34 HG SER 6 HG SER 6 -3.926 -5.435 -11.859 35 H ALA 7 H ALA 7 -1.838 -1.780 -11.709 36 HA ALA 7 HA ALA 7 -2.650 0.589 -12.873 37 HB1 ALA 7 1HB ALA 7 -2.030 1.510 -10.934 38 HB2 ALA 7 2HB ALA 7 -1.621 -0.133 -10.440 39 HB3 ALA 7 3HB ALA 7 -0.371 0.931 -11.084 40 H CYS 8 H CYS 8 0.647 -0.747 -12.744 41 HA CYS 8 HA CYS 8 1.846 1.347 -14.217 42 HB2 CYS 8 2HB CYS 8 2.704 -1.498 -13.681 43 HB3 CYS 8 3HB CYS 8 3.706 -0.343 -14.553 44 H ALA 9 H ALA 9 0.626 -1.846 -15.162 45 HA ALA 9 HA ALA 9 1.401 -1.909 -17.807 46 HB1 ALA 9 1HB ALA 9 -0.858 -3.193 -18.091 47 HB2 ALA 9 2HB ALA 9 0.434 -3.871 -17.099 48 HB3 ALA 9 3HB ALA 9 -0.928 -3.051 -16.335 49 H VAL 10 H VAL 10 -1.565 -0.487 -16.451 50 HA VAL 10 HA VAL 10 -2.546 0.455 -18.947 51 HB VAL 10 HB VAL 10 -3.229 1.389 -16.155 52 HG11 VAL 10 1HG1 VAL 10 -5.342 2.159 -17.234 53 HG12 VAL 10 2HG1 VAL 10 -3.906 3.052 -17.740 54 HG13 VAL 10 3HG1 VAL 10 -4.604 1.828 -18.801 55 HG21 VAL 10 3HG2 VAL 10 -3.824 -1.036 -17.570 56 HG22 VAL 10 1HG2 VAL 10 -4.253 -0.569 -15.924 57 HG23 VAL 10 2HG2 VAL 10 -5.309 -0.134 -17.267 58 H ARG 11 H ARG 11 -0.879 2.060 -16.246 59 HA ARG 11 HA ARG 11 -0.836 4.638 -17.321 60 HB2 ARG 11 2HB ARG 11 -0.275 4.094 -14.975 61 HB3 ARG 11 3HB ARG 11 1.222 3.351 -15.519 62 HG2 ARG 11 2HG ARG 11 2.254 5.328 -15.813 63 HG3 ARG 11 3HG ARG 11 0.792 6.126 -16.395 64 HD2 ARG 11 2HD ARG 11 0.886 5.326 -13.539 65 HD3 ARG 11 3HD ARG 11 1.883 6.692 -14.038 66 HE ARG 11 HE ARG 11 -0.785 6.940 -14.995 67 HH11 ARG 11 1HH1 ARG 11 1.203 7.310 -12.161 68 HH12 ARG 11 2HH1 ARG 11 0.179 8.507 -11.439 69 HH21 ARG 11 1HH2 ARG 11 -2.141 8.514 -14.054 70 HH22 ARG 11 2HH2 ARG 11 -1.723 9.190 -12.516 71 H CYS 12 H CYS 12 0.954 1.828 -18.165 72 HA CYS 12 HA CYS 12 3.067 3.296 -19.504 73 HB2 CYS 12 2HB CYS 12 2.447 0.378 -19.125 74 HB3 CYS 12 3HB CYS 12 3.665 0.900 -20.284 75 H LEU 13 H LEU 13 0.433 1.094 -20.447 76 HA LEU 13 HA LEU 13 0.805 1.332 -23.222 77 HB2 LEU 13 2HB LEU 13 -1.017 0.010 -23.418 78 HB3 LEU 13 3HB LEU 13 -0.698 -0.251 -21.705 79 HG LEU 13 HG LEU 13 -2.376 1.793 -21.468 80 HD11 LEU 13 1HD1 LEU 13 -4.079 0.756 -23.453 81 HD12 LEU 13 2HD1 LEU 13 -2.544 1.118 -24.240 82 HD13 LEU 13 3HD1 LEU 13 -3.395 2.378 -23.346 83 HD21 LEU 13 3HD2 LEU 13 -3.723 0.255 -20.554 84 HD22 LEU 13 1HD2 LEU 13 -2.463 -0.897 -20.996 85 HD23 LEU 13 2HD2 LEU 13 -3.853 -0.662 -22.056 86 H ALA 14 H ALA 14 -0.722 3.403 -20.906 87 HA ALA 14 HA ALA 14 -2.217 4.915 -22.854 88 HB1 ALA 14 1HB ALA 14 -3.022 6.184 -21.069 89 HB2 ALA 14 2HB ALA 14 -2.810 4.573 -20.383 90 HB3 ALA 14 3HB ALA 14 -1.617 5.831 -20.062 91 H GLN 15 H GLN 15 0.954 4.983 -21.491 92 HA GLN 15 HA GLN 15 1.435 7.721 -22.379 93 HB2 GLN 15 2HB GLN 15 2.621 5.932 -20.430 94 HB3 GLN 15 3HB GLN 15 3.846 6.641 -21.475 95 HG2 GLN 15 2HG GLN 15 2.774 8.882 -20.955 96 HG3 GLN 15 3HG GLN 15 1.895 8.040 -19.680 97 HE21 GLN 15 1HE2 GLN 15 3.250 6.816 -18.128 98 HE22 GLN 15 2HE2 GLN 15 4.761 7.508 -17.657 99 H ARG 16 H ARG 16 1.043 5.222 -24.119 100 HA ARG 16 HA ARG 16 1.795 4.482 -26.134 101 HB2 ARG 16 2HB ARG 16 3.725 6.801 -26.098 102 HB3 ARG 16 3HB ARG 16 3.091 5.952 -27.501 103 HG2 ARG 16 2HG ARG 16 0.786 6.797 -26.516 104 HG3 ARG 16 3HG ARG 16 1.830 8.032 -25.808 105 HD2 ARG 16 2HD ARG 16 1.127 8.920 -27.869 106 HD3 ARG 16 3HD ARG 16 2.775 8.356 -28.143 107 HE ARG 16 HE ARG 16 0.995 6.301 -28.822 108 HH11 ARG 16 1HH1 ARG 16 1.965 9.460 -29.918 109 HH12 ARG 16 2HH1 ARG 16 1.595 9.140 -31.580 110 HH21 ARG 16 1HH2 ARG 16 0.504 5.868 -31.007 111 HH22 ARG 16 2HH2 ARG 16 0.763 7.097 -32.198 112 H ARG 17 H ARG 17 2.784 3.074 -24.122 113 HA ARG 17 HA ARG 17 5.569 2.579 -24.926 114 HB2 ARG 17 2HB ARG 17 4.589 2.280 -22.089 115 HB3 ARG 17 3HB ARG 17 6.245 2.182 -22.672 116 HG2 ARG 17 2HG ARG 17 4.551 4.670 -22.720 117 HG3 ARG 17 3HG ARG 17 5.754 4.284 -21.488 118 HD2 ARG 17 2HD ARG 17 7.119 3.955 -23.870 119 HD3 ARG 17 3HD ARG 17 6.103 5.366 -24.161 120 HE ARG 17 HE ARG 17 7.385 6.554 -22.680 121 HH11 ARG 17 1HH1 ARG 17 8.044 3.157 -22.302 122 HH12 ARG 17 2HH1 ARG 17 9.384 3.403 -21.232 123 HH21 ARG 17 1HH2 ARG 17 9.148 6.891 -21.272 124 HH22 ARG 17 2HH2 ARG 17 10.011 5.527 -20.646 125 H LYS 18 H LYS 18 2.722 1.403 -25.324 126 HA LYS 18 HA LYS 18 1.747 -0.646 -25.531 127 HB2 LYS 18 2HB LYS 18 4.640 -1.500 -25.745 128 HB3 LYS 18 3HB LYS 18 3.258 -2.475 -26.226 129 HG2 LYS 18 2HG LYS 18 2.731 -1.029 -28.011 130 HG3 LYS 18 3HG LYS 18 3.816 0.227 -27.411 131 HD2 LYS 18 2HD LYS 18 5.544 -1.838 -27.700 132 HD3 LYS 18 3HD LYS 18 4.399 -2.185 -28.997 133 HE2 LYS 18 2HE LYS 18 4.935 -0.294 -30.161 134 HE3 LYS 18 3HE LYS 18 5.368 0.608 -28.709 135 HZ1 LYS 18 3HZ LYS 18 7.109 -0.525 -30.474 136 HZ2 LYS 18 1HZ LYS 18 7.114 -1.607 -29.174 137 HZ3 LYS 18 2HZ LYS 18 7.488 0.022 -28.918 138 H GLY 19 H GLY 19 2.387 0.268 -22.822 139 HA2 GLY 19 2HA GLY 19 1.892 -0.653 -20.746 140 HA3 GLY 19 3HA GLY 19 1.935 -2.251 -21.476 141 H GLY 20 H GLY 20 3.026 -2.326 -19.158 142 HA2 GLY 20 2HA GLY 20 5.861 -2.633 -19.703 143 HA3 GLY 20 3HA GLY 20 5.464 -1.458 -18.458 144 H LYS 21 H LYS 21 6.526 -2.671 -16.866 145 HA LYS 21 HA LYS 21 4.871 -4.684 -15.643 146 HB2 LYS 21 2HB LYS 21 6.820 -6.318 -15.489 147 HB3 LYS 21 3HB LYS 21 6.007 -6.205 -17.045 148 HG2 LYS 21 2HG LYS 21 8.207 -4.340 -16.866 149 HG3 LYS 21 3HG LYS 21 8.729 -5.999 -16.564 150 HD2 LYS 21 2HD LYS 21 6.887 -5.587 -18.841 151 HD3 LYS 21 3HD LYS 21 8.520 -4.944 -19.023 152 HE2 LYS 21 2HE LYS 21 9.499 -7.060 -18.770 153 HE3 LYS 21 3HE LYS 21 8.028 -7.754 -18.088 154 HZ1 LYS 21 3HZ LYS 21 7.028 -7.208 -20.372 155 HZ2 LYS 21 1HZ LYS 21 8.049 -8.551 -20.243 156 HZ3 LYS 21 2HZ LYS 21 8.632 -7.105 -20.900 157 H CYS 22 H CYS 22 5.664 -5.306 -13.499 158 HA CYS 22 HA CYS 22 7.046 -3.066 -12.245 159 HB2 CYS 22 2HB CYS 22 5.002 -4.956 -11.445 160 HB3 CYS 22 3HB CYS 22 6.306 -4.900 -10.263 161 H LYS 23 H LYS 23 8.977 -3.200 -11.215 162 HA LYS 23 HA LYS 23 10.291 -5.828 -11.093 163 HB2 LYS 23 2HB LYS 23 11.010 -4.293 -13.050 164 HB3 LYS 23 3HB LYS 23 11.813 -3.337 -11.811 165 HG2 LYS 23 2HG LYS 23 13.353 -4.988 -11.342 166 HG3 LYS 23 3HG LYS 23 12.325 -6.272 -11.984 167 HD2 LYS 23 2HD LYS 23 12.657 -5.276 -14.260 168 HD3 LYS 23 3HD LYS 23 13.847 -4.186 -13.543 169 HE2 LYS 23 2HE LYS 23 14.224 -7.033 -12.916 170 HE3 LYS 23 3HE LYS 23 14.422 -6.613 -14.617 171 HZ1 LYS 23 3HZ LYS 23 15.741 -4.841 -12.743 172 HZ2 LYS 23 1HZ LYS 23 16.299 -5.481 -14.206 173 HZ3 LYS 23 2HZ LYS 23 16.362 -6.414 -12.797 174 H ASN 24 H ASN 24 9.968 -5.986 -8.880 175 HA ASN 24 HA ASN 24 10.379 -5.675 -6.664 176 HB2 ASN 24 2HB ASN 24 12.848 -4.555 -7.953 177 HB3 ASN 24 3HB ASN 24 12.646 -4.465 -6.205 178 HD21 ASN 24 1HD2 ASN 24 14.657 -5.902 -7.612 179 HD22 ASN 24 2HD2 ASN 24 14.459 -7.576 -7.232 180 H GLY 25 H GLY 25 8.826 -3.650 -8.133 181 HA2 GLY 25 2HA GLY 25 7.644 -1.928 -6.876 182 HA3 GLY 25 3HA GLY 25 9.197 -1.427 -6.225 183 H ASP 26 H ASP 26 10.490 -1.707 -8.879 184 HA ASP 26 HA ASP 26 9.863 0.946 -9.831 185 HB2 ASP 26 2HB ASP 26 11.931 -1.103 -10.623 186 HB3 ASP 26 3HB ASP 26 11.734 0.422 -11.482 187 H CYS 27 H CYS 27 8.238 1.281 -11.187 188 HA CYS 27 HA CYS 27 7.193 -0.833 -12.845 189 HB2 CYS 27 2HB CYS 27 6.371 1.902 -12.073 190 HB3 CYS 27 3HB CYS 27 5.842 1.366 -13.664 191 H VAL 28 H VAL 28 8.527 -1.366 -14.494 192 HA VAL 28 HA VAL 28 9.784 0.712 -16.097 193 HB VAL 28 HB VAL 28 9.919 -2.279 -16.486 194 HG11 VAL 28 1HG1 VAL 28 11.938 -1.787 -17.756 195 HG12 VAL 28 2HG1 VAL 28 10.549 -0.943 -18.442 196 HG13 VAL 28 3HG1 VAL 28 11.719 -0.062 -17.459 197 HG21 VAL 28 3HG2 VAL 28 12.297 -1.719 -15.433 198 HG22 VAL 28 1HG2 VAL 28 11.352 -0.464 -14.630 199 HG23 VAL 28 2HG2 VAL 28 10.908 -2.161 -14.439 200 H CYS 29 H CYS 29 9.129 1.356 -18.061 201 HA CYS 29 HA CYS 29 6.754 0.039 -19.193 202 HB2 CYS 29 2HB CYS 29 7.752 2.875 -19.294 203 HB3 CYS 29 3HB CYS 29 6.592 2.280 -20.477 204 H ARG 30 H ARG 30 7.031 -1.128 -20.966 205 HA ARG 30 HA ARG 30 9.507 -1.242 -22.348 206 HB2 ARG 30 2HB ARG 30 6.807 -2.473 -22.737 207 HB3 ARG 30 3HB ARG 30 8.000 -2.587 -24.024 208 HG2 ARG 30 2HG ARG 30 9.577 -3.567 -22.327 209 HG3 ARG 30 3HG ARG 30 8.201 -3.659 -21.225 210 HD2 ARG 30 2HD ARG 30 8.210 -4.893 -23.971 211 HD3 ARG 30 3HD ARG 30 8.710 -5.761 -22.520 212 HE ARG 30 HE ARG 30 6.124 -4.590 -22.237 213 HH11 ARG 30 1HH1 ARG 30 7.847 -7.304 -23.573 214 HH12 ARG 30 2HH1 ARG 30 6.477 -8.363 -23.526 215 HH21 ARG 30 1HH2 ARG 30 4.313 -5.975 -22.170 216 HH22 ARG 30 2HH2 ARG 30 4.467 -7.606 -22.729 Start of MODEL 11 1 H1 PHE 1 H PHE 1 3.594 -0.563 0.784 2 HA PHE 1 HA PHE 1 4.570 -1.657 -1.123 3 HB2 PHE 1 2HB PHE 1 3.233 -3.855 0.085 4 HB3 PHE 1 3HB PHE 1 2.642 -3.721 -1.569 5 HD1 PHE 1 HD1 PHE 1 5.971 -3.234 0.051 6 HD2 PHE 1 HD2 PHE 1 3.694 -5.207 -2.956 7 HE1 PHE 1 HE1 PHE 1 8.011 -4.343 -0.761 8 HE2 PHE 1 HE2 PHE 1 5.731 -6.319 -3.773 9 HZ PHE 1 HZ PHE 1 7.893 -5.889 -2.675 10 H SER 2 H SER 2 3.816 -1.522 -3.306 11 HA SER 2 HA SER 2 1.057 -0.903 -3.838 12 HB2 SER 2 2HB SER 2 2.044 1.241 -2.897 13 HB3 SER 2 3HB SER 2 3.069 1.296 -4.331 14 HG SER 2 HG SER 2 1.362 2.399 -5.005 15 H CYS 3 H CYS 3 2.835 -2.871 -4.781 16 HA CYS 3 HA CYS 3 3.815 -2.089 -7.375 17 HB2 CYS 3 2HB CYS 3 4.740 -3.935 -5.799 18 HB3 CYS 3 3HB CYS 3 3.460 -4.935 -6.477 19 H ASP 4 H ASP 4 1.407 -1.284 -7.664 20 HA ASP 4 HA ASP 4 -0.481 -3.287 -8.466 21 HB2 ASP 4 2HB ASP 4 -0.523 -0.313 -9.017 22 HB3 ASP 4 3HB ASP 4 -1.887 -1.420 -9.138 23 H HIS 5 H HIS 5 0.321 -4.520 -10.116 24 HA HIS 5 HA HIS 5 1.748 -3.581 -12.338 25 HB2 HIS 5 2HB HIS 5 1.599 -5.969 -11.608 26 HB3 HIS 5 3HB HIS 5 -0.044 -6.016 -12.241 27 HD1 HIS 5 HD1 HIS 5 1.077 -7.989 -13.741 28 HD2 HIS 5 HD2 HIS 5 2.221 -4.090 -14.606 29 HE1 HIS 5 HE1 HIS 5 2.086 -8.080 -16.043 30 H SER 6 H SER 6 -1.684 -3.792 -11.700 31 HA SER 6 HA SER 6 -2.609 -3.454 -14.341 32 HB2 SER 6 2HB SER 6 -4.138 -2.342 -12.019 33 HB3 SER 6 3HB SER 6 -4.726 -3.236 -13.421 34 HG SER 6 HG SER 6 -4.718 -4.450 -11.431 35 H ALA 7 H ALA 7 -2.350 -1.059 -11.709 36 HA ALA 7 HA ALA 7 -3.036 1.203 -13.133 37 HB1 ALA 7 1HB ALA 7 -2.666 1.064 -10.671 38 HB2 ALA 7 2HB ALA 7 -0.930 1.112 -10.981 39 HB3 ALA 7 3HB ALA 7 -1.945 2.482 -11.433 40 H CYS 8 H CYS 8 0.171 -0.277 -12.780 41 HA CYS 8 HA CYS 8 1.559 1.681 -14.281 42 HB2 CYS 8 2HB CYS 8 2.294 -1.214 -13.796 43 HB3 CYS 8 3HB CYS 8 3.388 0.050 -14.349 44 H ALA 9 H ALA 9 0.263 -1.512 -15.145 45 HA ALA 9 HA ALA 9 1.118 -1.684 -17.761 46 HB1 ALA 9 1HB ALA 9 -1.307 -2.713 -16.349 47 HB2 ALA 9 2HB ALA 9 -1.122 -2.958 -18.086 48 HB3 ALA 9 3HB ALA 9 0.087 -3.596 -16.972 49 H VAL 10 H VAL 10 -1.861 -0.160 -16.550 50 HA VAL 10 HA VAL 10 -2.746 0.709 -19.107 51 HB VAL 10 HB VAL 10 -3.496 1.767 -16.378 52 HG11 VAL 10 1HG1 VAL 10 -5.663 2.155 -17.953 53 HG12 VAL 10 2HG1 VAL 10 -4.439 3.385 -17.628 54 HG13 VAL 10 3HG1 VAL 10 -4.360 2.430 -19.109 55 HG21 VAL 10 3HG2 VAL 10 -5.595 0.313 -17.016 56 HG22 VAL 10 1HG2 VAL 10 -4.414 -0.559 -17.993 57 HG23 VAL 10 2HG2 VAL 10 -4.184 -0.416 -16.251 58 H ARG 11 H ARG 11 -1.132 2.379 -16.413 59 HA ARG 11 HA ARG 11 -1.006 4.916 -17.577 60 HB2 ARG 11 2HB ARG 11 -0.521 4.397 -15.188 61 HB3 ARG 11 3HB ARG 11 1.007 3.684 -15.688 62 HG2 ARG 11 2HG ARG 11 1.849 5.778 -16.412 63 HG3 ARG 11 3HG ARG 11 0.264 6.539 -16.261 64 HD2 ARG 11 2HD ARG 11 1.284 7.254 -14.329 65 HD3 ARG 11 3HD ARG 11 0.474 5.793 -13.764 66 HE ARG 11 HE ARG 11 2.524 4.820 -13.427 67 HH11 ARG 11 1HH1 ARG 11 2.909 7.705 -15.336 68 HH12 ARG 11 2HH1 ARG 11 4.639 7.698 -15.236 69 HH21 ARG 11 1HH2 ARG 11 4.801 4.799 -13.287 70 HH22 ARG 11 2HH2 ARG 11 5.714 6.044 -14.071 71 H CYS 12 H CYS 12 0.754 2.045 -18.264 72 HA CYS 12 HA CYS 12 2.936 3.425 -19.587 73 HB2 CYS 12 2HB CYS 12 2.248 0.534 -19.126 74 HB3 CYS 12 3HB CYS 12 3.513 0.993 -20.261 75 H LEU 13 H LEU 13 0.290 1.240 -20.534 76 HA LEU 13 HA LEU 13 0.752 1.371 -23.302 77 HB2 LEU 13 2HB LEU 13 -1.088 0.076 -23.509 78 HB3 LEU 13 3HB LEU 13 -0.827 -0.130 -21.778 79 HG LEU 13 HG LEU 13 -2.472 1.952 -21.667 80 HD11 LEU 13 1HD1 LEU 13 -4.133 0.875 -23.667 81 HD12 LEU 13 2HD1 LEU 13 -2.567 1.183 -24.417 82 HD13 LEU 13 3HD1 LEU 13 -3.422 2.488 -23.595 83 HD21 LEU 13 3HD2 LEU 13 -3.901 0.477 -20.764 84 HD22 LEU 13 1HD2 LEU 13 -2.624 -0.699 -21.076 85 HD23 LEU 13 2HD2 LEU 13 -3.953 -0.518 -22.221 86 H ALA 14 H ALA 14 -0.805 3.551 -21.110 87 HA ALA 14 HA ALA 14 -2.210 5.019 -23.157 88 HB1 ALA 14 1HB ALA 14 -2.801 6.559 -21.357 89 HB2 ALA 14 2HB ALA 14 -3.115 4.886 -20.894 90 HB3 ALA 14 3HB ALA 14 -1.693 5.722 -20.270 91 H GLN 15 H GLN 15 0.919 5.078 -21.700 92 HA GLN 15 HA GLN 15 1.480 7.773 -22.667 93 HB2 GLN 15 2HB GLN 15 2.571 6.032 -20.622 94 HB3 GLN 15 3HB GLN 15 3.841 6.680 -21.652 95 HG2 GLN 15 2HG GLN 15 2.802 8.958 -21.244 96 HG3 GLN 15 3HG GLN 15 1.863 8.181 -19.970 97 HE21 GLN 15 1HE2 GLN 15 2.733 8.083 -18.023 98 HE22 GLN 15 2HE2 GLN 15 4.400 8.335 -17.646 99 H ARG 16 H ARG 16 1.091 5.221 -24.330 100 HA ARG 16 HA ARG 16 1.889 4.396 -26.294 101 HB2 ARG 16 2HB ARG 16 3.852 6.689 -26.273 102 HB3 ARG 16 3HB ARG 16 3.267 5.792 -27.667 103 HG2 ARG 16 2HG ARG 16 0.953 6.765 -26.557 104 HG3 ARG 16 3HG ARG 16 2.106 8.074 -26.290 105 HD2 ARG 16 2HD ARG 16 1.181 8.531 -28.390 106 HD3 ARG 16 3HD ARG 16 2.735 7.781 -28.748 107 HE ARG 16 HE ARG 16 1.629 6.004 -29.687 108 HH11 ARG 16 1HH1 ARG 16 -0.620 7.934 -27.860 109 HH12 ARG 16 2HH1 ARG 16 -2.017 7.092 -28.444 110 HH21 ARG 16 1HH2 ARG 16 -0.203 4.888 -30.463 111 HH22 ARG 16 2HH2 ARG 16 -1.779 5.359 -29.923 112 H ARG 17 H ARG 17 2.791 3.043 -24.205 113 HA ARG 17 HA ARG 17 5.588 2.470 -24.907 114 HB2 ARG 17 2HB ARG 17 4.518 2.295 -22.091 115 HB3 ARG 17 3HB ARG 17 6.188 2.137 -22.618 116 HG2 ARG 17 2HG ARG 17 4.561 4.661 -22.826 117 HG3 ARG 17 3HG ARG 17 5.695 4.295 -21.525 118 HD2 ARG 17 2HD ARG 17 6.589 4.178 -24.376 119 HD3 ARG 17 3HD ARG 17 6.467 5.732 -23.553 120 HE ARG 17 HE ARG 17 7.925 3.951 -21.944 121 HH11 ARG 17 1HH1 ARG 17 8.207 5.715 -24.932 122 HH12 ARG 17 2HH1 ARG 17 9.932 5.841 -24.846 123 HH21 ARG 17 1HH2 ARG 17 10.197 4.110 -21.819 124 HH22 ARG 17 2HH2 ARG 17 11.063 4.927 -23.076 125 H LYS 18 H LYS 18 2.733 1.332 -25.349 126 HA LYS 18 HA LYS 18 1.725 -0.706 -25.512 127 HB2 LYS 18 2HB LYS 18 4.261 -0.902 -26.558 128 HB3 LYS 18 3HB LYS 18 4.214 -2.254 -25.434 129 HG2 LYS 18 2HG LYS 18 2.390 -3.247 -26.545 130 HG3 LYS 18 3HG LYS 18 2.065 -1.783 -27.477 131 HD2 LYS 18 2HD LYS 18 4.764 -2.927 -27.794 132 HD3 LYS 18 3HD LYS 18 3.439 -3.907 -28.428 133 HE2 LYS 18 2HE LYS 18 3.783 -2.627 -30.263 134 HE3 LYS 18 3HE LYS 18 2.714 -1.523 -29.400 135 HZ1 LYS 18 3HZ LYS 18 4.720 -0.432 -30.261 136 HZ2 LYS 18 1HZ LYS 18 5.680 -1.433 -29.291 137 HZ3 LYS 18 2HZ LYS 18 4.614 -0.331 -28.576 138 H GLY 19 H GLY 19 2.302 0.294 -22.819 139 HA2 GLY 19 2HA GLY 19 1.728 -0.544 -20.728 140 HA3 GLY 19 3HA GLY 19 1.764 -2.167 -21.400 141 H GLY 20 H GLY 20 2.785 -2.254 -19.082 142 HA2 GLY 20 2HA GLY 20 5.649 -2.523 -19.525 143 HA3 GLY 20 3HA GLY 20 5.175 -1.401 -18.258 144 H LYS 21 H LYS 21 6.187 -2.651 -16.663 145 HA LYS 21 HA LYS 21 4.519 -4.736 -15.587 146 HB2 LYS 21 2HB LYS 21 6.413 -6.381 -15.429 147 HB3 LYS 21 3HB LYS 21 5.781 -6.137 -17.051 148 HG2 LYS 21 2HG LYS 21 7.883 -4.281 -16.662 149 HG3 LYS 21 3HG LYS 21 8.447 -5.864 -16.120 150 HD2 LYS 21 2HD LYS 21 6.960 -5.773 -18.680 151 HD3 LYS 21 3HD LYS 21 8.577 -5.066 -18.671 152 HE2 LYS 21 2HE LYS 21 9.500 -7.149 -17.817 153 HE3 LYS 21 3HE LYS 21 7.886 -7.856 -17.753 154 HZ1 LYS 21 3HZ LYS 21 8.032 -7.059 -20.307 155 HZ2 LYS 21 1HZ LYS 21 8.420 -8.617 -19.774 156 HZ3 LYS 21 2HZ LYS 21 9.645 -7.477 -20.014 157 H CYS 22 H CYS 22 5.278 -5.458 -13.443 158 HA CYS 22 HA CYS 22 6.335 -3.214 -11.969 159 HB2 CYS 22 2HB CYS 22 4.479 -5.090 -11.365 160 HB3 CYS 22 3HB CYS 22 5.890 -5.785 -10.574 161 H LYS 23 H LYS 23 8.240 -3.116 -10.833 162 HA LYS 23 HA LYS 23 10.133 -5.337 -11.228 163 HB2 LYS 23 2HB LYS 23 10.459 -3.204 -12.679 164 HB3 LYS 23 3HB LYS 23 11.033 -2.472 -11.186 165 HG2 LYS 23 2HG LYS 23 13.036 -3.239 -11.778 166 HG3 LYS 23 3HG LYS 23 12.440 -4.822 -11.273 167 HD2 LYS 23 2HD LYS 23 11.942 -5.462 -13.468 168 HD3 LYS 23 3HD LYS 23 11.981 -3.798 -14.057 169 HE2 LYS 23 2HE LYS 23 14.013 -4.470 -14.814 170 HE3 LYS 23 3HE LYS 23 14.493 -3.978 -13.191 171 HZ1 LYS 23 3HZ LYS 23 15.418 -6.109 -13.618 172 HZ2 LYS 23 1HZ LYS 23 13.934 -6.733 -14.138 173 HZ3 LYS 23 2HZ LYS 23 14.158 -6.332 -12.511 174 H ASN 24 H ASN 24 9.681 -6.079 -9.120 175 HA ASN 24 HA ASN 24 9.901 -6.215 -6.856 176 HB2 ASN 24 2HB ASN 24 12.239 -4.351 -7.316 177 HB3 ASN 24 3HB ASN 24 12.008 -5.425 -5.940 178 HD21 ASN 24 1HD2 ASN 24 13.127 -7.220 -6.021 179 HD22 ASN 24 2HD2 ASN 24 13.642 -8.041 -7.452 180 H GLY 25 H GLY 25 8.051 -4.277 -7.730 181 HA2 GLY 25 2HA GLY 25 6.740 -2.957 -6.187 182 HA3 GLY 25 3HA GLY 25 8.243 -2.370 -5.489 183 H ASP 26 H ASP 26 9.347 -2.065 -8.283 184 HA ASP 26 HA ASP 26 8.413 0.645 -8.660 185 HB2 ASP 26 2HB ASP 26 10.623 -1.013 -9.840 186 HB3 ASP 26 3HB ASP 26 10.159 0.515 -10.586 187 H CYS 27 H CYS 27 8.368 1.258 -11.183 188 HA CYS 27 HA CYS 27 6.614 -0.656 -12.561 189 HB2 CYS 27 2HB CYS 27 5.998 2.113 -11.706 190 HB3 CYS 27 3HB CYS 27 5.498 1.678 -13.337 191 H VAL 28 H VAL 28 7.849 -1.223 -14.247 192 HA VAL 28 HA VAL 28 9.292 0.870 -15.718 193 HB VAL 28 HB VAL 28 9.573 -2.121 -16.020 194 HG11 VAL 28 1HG1 VAL 28 11.262 0.189 -16.970 195 HG12 VAL 28 2HG1 VAL 28 11.714 -1.512 -17.100 196 HG13 VAL 28 3HG1 VAL 28 10.305 -0.903 -17.970 197 HG21 VAL 28 3HG2 VAL 28 10.201 -1.507 -13.767 198 HG22 VAL 28 1HG2 VAL 28 11.649 -1.867 -14.706 199 HG23 VAL 28 2HG2 VAL 28 11.208 -0.193 -14.374 200 H CYS 29 H CYS 29 8.784 1.404 -17.765 201 HA CYS 29 HA CYS 29 6.467 0.057 -18.963 202 HB2 CYS 29 2HB CYS 29 7.628 2.817 -19.296 203 HB3 CYS 29 3HB CYS 29 6.459 2.161 -20.437 204 H ARG 30 H ARG 30 6.802 -1.291 -20.591 205 HA ARG 30 HA ARG 30 9.188 -0.897 -22.276 206 HB2 ARG 30 2HB ARG 30 8.091 -3.321 -20.973 207 HB3 ARG 30 3HB ARG 30 8.675 -3.523 -22.619 208 HG2 ARG 30 2HG ARG 30 10.672 -2.067 -21.368 209 HG3 ARG 30 3HG ARG 30 10.152 -3.237 -20.153 210 HD2 ARG 30 2HD ARG 30 11.804 -4.384 -21.314 211 HD3 ARG 30 3HD ARG 30 10.315 -4.959 -22.063 212 HE ARG 30 HE ARG 30 11.008 -2.885 -23.638 213 HH11 ARG 30 1HH1 ARG 30 12.762 -5.655 -22.466 214 HH12 ARG 30 2HH1 ARG 30 13.798 -5.748 -23.851 215 HH21 ARG 30 1HH2 ARG 30 12.366 -2.997 -25.467 216 HH22 ARG 30 2HH2 ARG 30 13.573 -4.235 -25.557 Start of MODEL 12 1 H1 PHE 1 H PHE 1 3.303 -2.916 1.319 2 HA PHE 1 HA PHE 1 1.941 -1.178 -0.325 3 HB2 PHE 1 2HB PHE 1 4.446 -0.176 -0.132 4 HB3 PHE 1 3HB PHE 1 4.651 -1.248 -1.513 5 HD1 PHE 1 HD1 PHE 1 2.153 1.239 -0.279 6 HD2 PHE 1 HD2 PHE 1 4.361 -0.303 -3.575 7 HE1 PHE 1 HE1 PHE 1 1.152 2.944 -1.743 8 HE2 PHE 1 HE2 PHE 1 3.364 1.401 -5.044 9 HZ PHE 1 HZ PHE 1 1.758 3.028 -4.129 10 H SER 2 H SER 2 2.257 -1.846 -2.773 11 HA SER 2 HA SER 2 3.148 -4.559 -3.164 12 HB2 SER 2 2HB SER 2 0.866 -5.335 -3.925 13 HB3 SER 2 3HB SER 2 1.029 -5.098 -2.185 14 HG SER 2 HG SER 2 -0.068 -3.202 -3.991 15 H CYS 3 H CYS 3 3.978 -4.646 -5.136 16 HA CYS 3 HA CYS 3 3.759 -2.552 -6.997 17 HB2 CYS 3 2HB CYS 3 5.583 -4.392 -6.728 18 HB3 CYS 3 3HB CYS 3 4.553 -5.333 -7.802 19 H ASP 4 H ASP 4 1.738 -2.076 -7.704 20 HA ASP 4 HA ASP 4 -0.085 -4.137 -8.570 21 HB2 ASP 4 2HB ASP 4 -0.273 -1.122 -8.748 22 HB3 ASP 4 3HB ASP 4 -1.575 -2.241 -9.140 23 H HIS 5 H HIS 5 0.910 -5.159 -10.302 24 HA HIS 5 HA HIS 5 2.176 -3.979 -12.465 25 HB2 HIS 5 2HB HIS 5 2.260 -6.375 -12.103 26 HB3 HIS 5 3HB HIS 5 0.525 -6.512 -12.375 27 HD1 HIS 5 HD1 HIS 5 3.774 -6.291 -14.145 28 HD2 HIS 5 HD2 HIS 5 -0.272 -6.277 -15.092 29 HE1 HIS 5 HE1 HIS 5 3.663 -6.665 -16.629 30 H SER 6 H SER 6 -1.215 -4.235 -11.748 31 HA SER 6 HA SER 6 -2.229 -3.758 -14.341 32 HB2 SER 6 2HB SER 6 -3.602 -2.896 -11.800 33 HB3 SER 6 3HB SER 6 -4.333 -3.442 -13.309 34 HG SER 6 HG SER 6 -3.940 -4.918 -11.271 35 H ALA 7 H ALA 7 -1.887 -1.529 -11.576 36 HA ALA 7 HA ALA 7 -2.626 0.814 -12.831 37 HB1 ALA 7 1HB ALA 7 -0.368 0.858 -10.880 38 HB2 ALA 7 2HB ALA 7 -1.756 1.938 -11.019 39 HB3 ALA 7 3HB ALA 7 -1.963 0.316 -10.358 40 H CYS 8 H CYS 8 0.583 -0.692 -12.705 41 HA CYS 8 HA CYS 8 1.910 1.370 -14.134 42 HB2 CYS 8 2HB CYS 8 2.622 -1.522 -13.628 43 HB3 CYS 8 3HB CYS 8 3.690 -0.396 -14.460 44 H ALA 9 H ALA 9 0.593 -1.779 -15.113 45 HA ALA 9 HA ALA 9 1.365 -1.823 -17.760 46 HB1 ALA 9 1HB ALA 9 -0.668 -3.211 -18.152 47 HB2 ALA 9 2HB ALA 9 0.308 -3.729 -16.776 48 HB3 ALA 9 3HB ALA 9 -1.184 -2.828 -16.509 49 H VAL 10 H VAL 10 -1.574 -0.363 -16.385 50 HA VAL 10 HA VAL 10 -2.535 0.633 -18.868 51 HB VAL 10 HB VAL 10 -3.204 1.605 -16.087 52 HG11 VAL 10 1HG1 VAL 10 -4.093 2.367 -18.744 53 HG12 VAL 10 2HG1 VAL 10 -5.428 1.865 -17.705 54 HG13 VAL 10 3HG1 VAL 10 -4.352 3.165 -17.193 55 HG21 VAL 10 3HG2 VAL 10 -3.550 -0.834 -16.412 56 HG22 VAL 10 1HG2 VAL 10 -5.042 0.056 -16.113 57 HG23 VAL 10 2HG2 VAL 10 -4.638 -0.463 -17.749 58 H ARG 11 H ARG 11 -0.839 2.168 -16.143 59 HA ARG 11 HA ARG 11 -0.746 4.760 -17.182 60 HB2 ARG 11 2HB ARG 11 -0.149 3.972 -14.830 61 HB3 ARG 11 3HB ARG 11 1.423 3.536 -15.485 62 HG2 ARG 11 2HG ARG 11 2.098 5.688 -15.672 63 HG3 ARG 11 3HG ARG 11 0.474 6.284 -16.018 64 HD2 ARG 11 2HD ARG 11 0.719 5.186 -13.336 65 HD3 ARG 11 3HD ARG 11 1.832 6.523 -13.625 66 HE ARG 11 HE ARG 11 -1.031 6.664 -13.410 67 HH11 ARG 11 1HH1 ARG 11 1.826 8.195 -14.680 68 HH12 ARG 11 2HH1 ARG 11 1.108 9.770 -14.754 69 HH21 ARG 11 1HH2 ARG 11 -1.988 8.733 -13.502 70 HH22 ARG 11 2HH2 ARG 11 -1.061 10.075 -14.083 71 H CYS 12 H CYS 12 0.989 1.928 -18.066 72 HA CYS 12 HA CYS 12 3.131 3.374 -19.385 73 HB2 CYS 12 2HB CYS 12 2.454 0.462 -19.054 74 HB3 CYS 12 3HB CYS 12 3.689 0.982 -20.196 75 H LEU 13 H LEU 13 0.456 1.236 -20.359 76 HA LEU 13 HA LEU 13 0.833 1.506 -23.130 77 HB2 LEU 13 2HB LEU 13 -1.013 0.222 -23.345 78 HB3 LEU 13 3HB LEU 13 -0.701 -0.070 -21.635 79 HG LEU 13 HG LEU 13 -2.340 2.003 -21.370 80 HD11 LEU 13 1HD1 LEU 13 -3.360 2.629 -23.233 81 HD12 LEU 13 2HD1 LEU 13 -4.055 1.015 -23.376 82 HD13 LEU 13 3HD1 LEU 13 -2.513 1.383 -24.150 83 HD21 LEU 13 3HD2 LEU 13 -4.030 0.479 -20.813 84 HD22 LEU 13 1HD2 LEU 13 -2.529 -0.415 -20.571 85 HD23 LEU 13 2HD2 LEU 13 -3.496 -0.692 -22.020 86 H ALA 14 H ALA 14 -0.654 3.573 -20.784 87 HA ALA 14 HA ALA 14 -2.121 5.141 -22.710 88 HB1 ALA 14 1HB ALA 14 -2.564 6.633 -20.778 89 HB2 ALA 14 2HB ALA 14 -3.021 4.954 -20.491 90 HB3 ALA 14 3HB ALA 14 -1.536 5.596 -19.789 91 H GLN 15 H GLN 15 1.054 5.126 -21.355 92 HA GLN 15 HA GLN 15 1.586 7.868 -22.199 93 HB2 GLN 15 2HB GLN 15 2.742 6.024 -20.284 94 HB3 GLN 15 3HB GLN 15 3.978 6.722 -21.322 95 HG2 GLN 15 2HG GLN 15 2.972 8.978 -20.764 96 HG3 GLN 15 3HG GLN 15 2.057 8.143 -19.509 97 HE21 GLN 15 1HE2 GLN 15 3.187 7.181 -17.779 98 HE22 GLN 15 2HE2 GLN 15 4.781 7.694 -17.357 99 H ARG 16 H ARG 16 1.140 5.404 -23.977 100 HA ARG 16 HA ARG 16 1.871 4.682 -26.007 101 HB2 ARG 16 2HB ARG 16 3.843 6.965 -25.944 102 HB3 ARG 16 3HB ARG 16 3.186 6.150 -27.357 103 HG2 ARG 16 2HG ARG 16 0.901 7.021 -26.357 104 HG3 ARG 16 3HG ARG 16 1.965 8.219 -25.618 105 HD2 ARG 16 2HD ARG 16 2.922 8.317 -28.097 106 HD3 ARG 16 3HD ARG 16 1.288 7.772 -28.472 107 HE ARG 16 HE ARG 16 1.089 9.931 -26.718 108 HH11 ARG 16 1HH1 ARG 16 2.157 9.271 -29.965 109 HH12 ARG 16 2HH1 ARG 16 1.786 10.859 -30.549 110 HH21 ARG 16 1HH2 ARG 16 0.597 12.025 -27.475 111 HH22 ARG 16 2HH2 ARG 16 0.899 12.426 -29.132 112 H ARG 17 H ARG 17 2.842 3.224 -24.022 113 HA ARG 17 HA ARG 17 5.613 2.692 -24.848 114 HB2 ARG 17 2HB ARG 17 4.643 2.372 -22.009 115 HB3 ARG 17 3HB ARG 17 6.294 2.248 -22.602 116 HG2 ARG 17 2HG ARG 17 4.660 4.776 -22.641 117 HG3 ARG 17 3HG ARG 17 5.817 4.347 -21.379 118 HD2 ARG 17 2HD ARG 17 6.610 4.434 -24.271 119 HD3 ARG 17 3HD ARG 17 6.602 5.890 -23.277 120 HE ARG 17 HE ARG 17 8.044 3.981 -21.883 121 HH11 ARG 17 1HH1 ARG 17 8.271 5.669 -24.919 122 HH12 ARG 17 2HH1 ARG 17 10.002 5.617 -24.967 123 HH21 ARG 17 1HH2 ARG 17 10.323 3.906 -21.935 124 HH22 ARG 17 2HH2 ARG 17 11.168 4.613 -23.270 125 H LYS 18 H LYS 18 2.746 1.574 -25.248 126 HA LYS 18 HA LYS 18 1.732 -0.455 -25.479 127 HB2 LYS 18 2HB LYS 18 4.193 -0.591 -26.655 128 HB3 LYS 18 3HB LYS 18 4.259 -1.964 -25.558 129 HG2 LYS 18 2HG LYS 18 1.793 -2.255 -26.702 130 HG3 LYS 18 3HG LYS 18 2.757 -1.606 -28.031 131 HD2 LYS 18 2HD LYS 18 4.367 -3.378 -27.796 132 HD3 LYS 18 3HD LYS 18 3.564 -3.971 -26.341 133 HE2 LYS 18 2HE LYS 18 2.261 -5.263 -27.588 134 HE3 LYS 18 3HE LYS 18 1.628 -3.837 -28.408 135 HZ1 LYS 18 3HZ LYS 18 2.871 -5.748 -29.701 136 HZ2 LYS 18 1HZ LYS 18 4.233 -4.842 -29.267 137 HZ3 LYS 18 2HZ LYS 18 2.997 -4.129 -30.175 138 H GLY 19 H GLY 19 2.400 0.411 -22.761 139 HA2 GLY 19 2HA GLY 19 1.894 -0.532 -20.696 140 HA3 GLY 19 3HA GLY 19 1.910 -2.120 -21.449 141 H GLY 20 H GLY 20 3.005 -2.214 -19.121 142 HA2 GLY 20 2HA GLY 20 5.851 -2.506 -19.686 143 HA3 GLY 20 3HA GLY 20 5.426 -1.421 -18.370 144 H LYS 21 H LYS 21 6.507 -2.737 -16.865 145 HA LYS 21 HA LYS 21 4.863 -4.832 -15.776 146 HB2 LYS 21 2HB LYS 21 6.688 -6.530 -15.775 147 HB3 LYS 21 3HB LYS 21 6.060 -6.169 -17.378 148 HG2 LYS 21 2HG LYS 21 8.186 -4.396 -16.994 149 HG3 LYS 21 3HG LYS 21 8.741 -5.953 -16.374 150 HD2 LYS 21 2HD LYS 21 7.426 -5.627 -19.064 151 HD3 LYS 21 3HD LYS 21 9.172 -5.523 -18.826 152 HE2 LYS 21 2HE LYS 21 9.389 -7.745 -18.590 153 HE3 LYS 21 3HE LYS 21 7.933 -7.878 -17.605 154 HZ1 LYS 21 3HZ LYS 21 7.288 -7.249 -20.298 155 HZ2 LYS 21 1HZ LYS 21 6.782 -8.560 -19.355 156 HZ3 LYS 21 2HZ LYS 21 8.228 -8.653 -20.227 157 H CYS 22 H CYS 22 5.787 -5.682 -13.714 158 HA CYS 22 HA CYS 22 6.944 -3.482 -12.225 159 HB2 CYS 22 2HB CYS 22 5.362 -5.854 -11.621 160 HB3 CYS 22 3HB CYS 22 6.684 -5.627 -10.480 161 H LYS 23 H LYS 23 8.928 -3.430 -11.276 162 HA LYS 23 HA LYS 23 10.696 -5.744 -11.707 163 HB2 LYS 23 2HB LYS 23 11.091 -3.854 -13.338 164 HB3 LYS 23 3HB LYS 23 11.569 -2.865 -11.964 165 HG2 LYS 23 2HG LYS 23 13.619 -3.691 -12.033 166 HG3 LYS 23 3HG LYS 23 13.000 -5.338 -11.892 167 HD2 LYS 23 2HD LYS 23 12.872 -5.610 -14.214 168 HD3 LYS 23 3HD LYS 23 12.966 -3.873 -14.511 169 HE2 LYS 23 2HE LYS 23 15.304 -4.056 -13.422 170 HE3 LYS 23 3HE LYS 23 15.143 -5.782 -13.741 171 HZ1 LYS 23 3HZ LYS 23 14.817 -3.714 -15.839 172 HZ2 LYS 23 1HZ LYS 23 14.981 -5.384 -16.051 173 HZ3 LYS 23 2HZ LYS 23 16.295 -4.468 -15.509 174 H ASN 24 H ASN 24 10.672 -6.468 -9.617 175 HA ASN 24 HA ASN 24 11.094 -6.550 -7.380 176 HB2 ASN 24 2HB ASN 24 13.145 -4.401 -7.919 177 HB3 ASN 24 3HB ASN 24 13.187 -5.647 -6.675 178 HD21 ASN 24 1HD2 ASN 24 13.900 -7.670 -7.174 179 HD22 ASN 24 2HD2 ASN 24 14.599 -8.084 -8.699 180 H GLY 25 H GLY 25 8.994 -4.794 -8.148 181 HA2 GLY 25 2HA GLY 25 7.640 -3.601 -6.557 182 HA3 GLY 25 3HA GLY 25 9.111 -2.922 -5.877 183 H ASP 26 H ASP 26 10.190 -2.368 -8.587 184 HA ASP 26 HA ASP 26 9.029 0.245 -8.880 185 HB2 ASP 26 2HB ASP 26 11.279 -1.211 -10.254 186 HB3 ASP 26 3HB ASP 26 10.718 0.360 -10.822 187 H CYS 27 H CYS 27 8.777 0.984 -11.318 188 HA CYS 27 HA CYS 27 7.129 -1.004 -12.727 189 HB2 CYS 27 2HB CYS 27 6.378 1.678 -11.736 190 HB3 CYS 27 3HB CYS 27 5.865 1.305 -13.378 191 H VAL 28 H VAL 28 8.334 -1.441 -14.473 192 HA VAL 28 HA VAL 28 9.642 0.762 -15.899 193 HB VAL 28 HB VAL 28 9.949 -2.199 -16.399 194 HG11 VAL 28 1HG1 VAL 28 11.559 0.197 -17.268 195 HG12 VAL 28 2HG1 VAL 28 12.044 -1.482 -17.513 196 HG13 VAL 28 3HG1 VAL 28 10.590 -0.859 -18.295 197 HG21 VAL 28 3HG2 VAL 28 11.646 -0.362 -14.712 198 HG22 VAL 28 1HG2 VAL 28 10.652 -1.699 -14.132 199 HG23 VAL 28 2HG2 VAL 28 12.060 -2.020 -15.145 200 H CYS 29 H CYS 29 9.062 1.388 -17.906 201 HA CYS 29 HA CYS 29 6.717 0.065 -19.085 202 HB2 CYS 29 2HB CYS 29 7.762 2.884 -19.237 203 HB3 CYS 29 3HB CYS 29 6.595 2.275 -20.406 204 H ARG 30 H ARG 30 7.005 -1.124 -20.841 205 HA ARG 30 HA ARG 30 9.532 -1.134 -22.219 206 HB2 ARG 30 2HB ARG 30 6.988 -2.648 -22.834 207 HB3 ARG 30 3HB ARG 30 8.573 -2.968 -23.526 208 HG2 ARG 30 2HG ARG 30 8.598 -2.989 -20.621 209 HG3 ARG 30 3HG ARG 30 7.492 -4.180 -21.310 210 HD2 ARG 30 2HD ARG 30 10.056 -4.069 -22.688 211 HD3 ARG 30 3HD ARG 30 10.209 -4.486 -20.982 212 HE ARG 30 HE ARG 30 8.172 -6.057 -21.998 213 HH11 ARG 30 1HH1 ARG 30 11.578 -5.597 -22.551 214 HH12 ARG 30 2HH1 ARG 30 11.848 -7.231 -23.062 215 HH21 ARG 30 1HH2 ARG 30 8.515 -8.210 -22.668 216 HH22 ARG 30 2HH2 ARG 30 10.105 -8.716 -23.128 Start of MODEL 13 1 H1 PHE 1 H PHE 1 1.081 -1.632 0.832 2 HA PHE 1 HA PHE 1 0.362 -0.282 -1.638 3 HB2 PHE 1 2HB PHE 1 2.921 0.265 -0.137 4 HB3 PHE 1 3HB PHE 1 2.752 0.573 -1.862 5 HD1 PHE 1 HD1 PHE 1 1.038 1.328 1.362 6 HD2 PHE 1 HD2 PHE 1 2.083 2.663 -2.543 7 HE1 PHE 1 HE1 PHE 1 0.062 3.532 1.857 8 HE2 PHE 1 HE2 PHE 1 1.110 4.869 -2.053 9 HZ PHE 1 HZ PHE 1 0.098 5.306 0.149 10 H SER 2 H SER 2 1.500 -1.091 -3.490 11 HA SER 2 HA SER 2 3.444 -3.113 -3.402 12 HB2 SER 2 2HB SER 2 0.707 -4.005 -2.957 13 HB3 SER 2 3HB SER 2 1.429 -4.769 -4.373 14 HG SER 2 HG SER 2 1.819 -5.401 -1.861 15 H CYS 3 H CYS 3 4.363 -3.184 -5.348 16 HA CYS 3 HA CYS 3 3.424 -1.631 -7.493 17 HB2 CYS 3 2HB CYS 3 5.798 -2.145 -7.176 18 HB3 CYS 3 3HB CYS 3 5.483 -3.848 -7.495 19 H ASP 4 H ASP 4 1.409 -2.176 -8.213 20 HA ASP 4 HA ASP 4 0.788 -4.921 -8.913 21 HB2 ASP 4 2HB ASP 4 -0.708 -2.523 -8.344 22 HB3 ASP 4 3HB ASP 4 -1.240 -3.218 -9.872 23 H HIS 5 H HIS 5 1.073 -5.790 -10.854 24 HA HIS 5 HA HIS 5 2.364 -4.498 -12.957 25 HB2 HIS 5 2HB HIS 5 0.873 -7.066 -12.673 26 HB3 HIS 5 3HB HIS 5 1.261 -6.509 -14.298 27 HD1 HIS 5 HD1 HIS 5 3.296 -7.643 -15.094 28 HD2 HIS 5 HD2 HIS 5 3.514 -6.775 -11.037 29 HE1 HIS 5 HE1 HIS 5 5.562 -8.445 -14.356 30 H SER 6 H SER 6 -1.020 -4.726 -12.176 31 HA SER 6 HA SER 6 -2.091 -4.046 -14.692 32 HB2 SER 6 2HB SER 6 -3.136 -3.762 -11.877 33 HB3 SER 6 3HB SER 6 -4.076 -3.245 -13.277 34 HG SER 6 HG SER 6 -4.246 -5.542 -12.377 35 H ALA 7 H ALA 7 -1.563 -1.993 -11.822 36 HA ALA 7 HA ALA 7 -2.260 0.444 -12.913 37 HB1 ALA 7 1HB ALA 7 -1.384 1.387 -11.039 38 HB2 ALA 7 2HB ALA 7 -1.423 -0.292 -10.502 39 HB3 ALA 7 3HB ALA 7 0.082 0.409 -11.096 40 H CYS 8 H CYS 8 0.998 -1.002 -12.810 41 HA CYS 8 HA CYS 8 2.285 1.037 -14.250 42 HB2 CYS 8 2HB CYS 8 3.284 -0.922 -12.872 43 HB3 CYS 8 3HB CYS 8 3.160 -1.836 -14.371 44 H ALA 9 H ALA 9 0.865 -2.033 -15.325 45 HA ALA 9 HA ALA 9 1.578 -1.994 -17.989 46 HB1 ALA 9 1HB ALA 9 -0.873 -3.032 -16.604 47 HB2 ALA 9 2HB ALA 9 -0.640 -3.218 -18.342 48 HB3 ALA 9 3HB ALA 9 0.516 -3.930 -17.216 49 H VAL 10 H VAL 10 -1.282 -0.500 -16.488 50 HA VAL 10 HA VAL 10 -2.267 0.622 -18.907 51 HB VAL 10 HB VAL 10 -2.840 1.441 -16.055 52 HG11 VAL 10 1HG1 VAL 10 -3.585 3.234 -17.321 53 HG12 VAL 10 2HG1 VAL 10 -4.047 2.212 -18.683 54 HG13 VAL 10 3HG1 VAL 10 -5.022 2.217 -17.213 55 HG21 VAL 10 3HG2 VAL 10 -3.526 -0.907 -17.492 56 HG22 VAL 10 1HG2 VAL 10 -4.043 -0.416 -15.879 57 HG23 VAL 10 2HG2 VAL 10 -4.991 0.053 -17.290 58 H ARG 11 H ARG 11 -0.462 1.995 -16.166 59 HA ARG 11 HA ARG 11 -0.310 4.622 -17.106 60 HB2 ARG 11 2HB ARG 11 0.325 3.686 -14.803 61 HB3 ARG 11 3HB ARG 11 1.880 3.294 -15.525 62 HG2 ARG 11 2HG ARG 11 2.470 5.514 -15.782 63 HG3 ARG 11 3HG ARG 11 0.797 6.070 -15.717 64 HD2 ARG 11 2HD ARG 11 1.663 4.690 -13.295 65 HD3 ARG 11 3HD ARG 11 2.596 6.144 -13.645 66 HE ARG 11 HE ARG 11 -0.159 6.003 -12.826 67 HH11 ARG 11 1HH1 ARG 11 2.268 7.915 -14.431 68 HH12 ARG 11 2HH1 ARG 11 1.457 9.420 -14.147 69 HH21 ARG 11 1HH2 ARG 11 -1.236 7.977 -12.446 70 HH22 ARG 11 2HH2 ARG 11 -0.536 9.454 -13.017 71 H CYS 12 H CYS 12 1.314 1.775 -18.140 72 HA CYS 12 HA CYS 12 3.471 3.205 -19.452 73 HB2 CYS 12 2HB CYS 12 2.710 0.305 -19.216 74 HB3 CYS 12 3HB CYS 12 3.933 0.830 -20.368 75 H LEU 13 H LEU 13 0.707 1.191 -20.443 76 HA LEU 13 HA LEU 13 1.030 1.558 -23.210 77 HB2 LEU 13 2HB LEU 13 -0.860 0.341 -23.431 78 HB3 LEU 13 3HB LEU 13 -0.518 -0.027 -21.742 79 HG LEU 13 HG LEU 13 -2.084 2.082 -21.358 80 HD11 LEU 13 1HD1 LEU 13 -3.116 2.815 -23.175 81 HD12 LEU 13 2HD1 LEU 13 -3.879 1.235 -23.354 82 HD13 LEU 13 3HD1 LEU 13 -2.345 1.568 -24.156 83 HD21 LEU 13 3HD2 LEU 13 -2.290 -0.566 -20.928 84 HD22 LEU 13 1HD2 LEU 13 -3.619 -0.334 -22.065 85 HD23 LEU 13 2HD2 LEU 13 -3.574 0.586 -20.561 86 H ALA 14 H ALA 14 -0.337 3.576 -20.752 87 HA ALA 14 HA ALA 14 -1.796 5.263 -22.581 88 HB1 ALA 14 1HB ALA 14 -1.981 6.736 -20.500 89 HB2 ALA 14 2HB ALA 14 -2.750 5.149 -20.448 90 HB3 ALA 14 3HB ALA 14 -1.202 5.405 -19.643 91 H GLN 15 H GLN 15 1.405 5.098 -21.301 92 HA GLN 15 HA GLN 15 2.005 7.853 -22.051 93 HB2 GLN 15 2HB GLN 15 3.143 5.901 -20.235 94 HB3 GLN 15 3HB GLN 15 4.378 6.601 -21.274 95 HG2 GLN 15 2HG GLN 15 3.450 8.863 -20.606 96 HG3 GLN 15 3HG GLN 15 2.545 8.005 -19.360 97 HE21 GLN 15 1HE2 GLN 15 4.070 6.337 -18.187 98 HE22 GLN 15 2HE2 GLN 15 5.542 7.024 -17.599 99 H ARG 16 H ARG 16 1.443 5.475 -23.912 100 HA ARG 16 HA ARG 16 2.106 4.811 -25.984 101 HB2 ARG 16 2HB ARG 16 4.160 7.017 -25.889 102 HB3 ARG 16 3HB ARG 16 3.421 6.291 -27.310 103 HG2 ARG 16 2HG ARG 16 2.031 8.016 -25.270 104 HG3 ARG 16 3HG ARG 16 2.514 8.499 -26.897 105 HD2 ARG 16 2HD ARG 16 1.020 6.170 -27.243 106 HD3 ARG 16 3HD ARG 16 0.152 7.091 -26.015 107 HE ARG 16 HE ARG 16 0.445 7.754 -28.798 108 HH11 ARG 16 1HH1 ARG 16 -0.184 8.986 -25.604 109 HH12 ARG 16 2HH1 ARG 16 -1.030 10.388 -26.169 110 HH21 ARG 16 1HH2 ARG 16 -0.666 9.596 -29.556 111 HH22 ARG 16 2HH2 ARG 16 -1.305 10.734 -28.417 112 H ARG 17 H ARG 17 3.074 3.247 -24.080 113 HA ARG 17 HA ARG 17 5.808 2.662 -24.988 114 HB2 ARG 17 2HB ARG 17 4.891 2.257 -22.142 115 HB3 ARG 17 3HB ARG 17 6.524 2.113 -22.778 116 HG2 ARG 17 2HG ARG 17 4.955 4.679 -22.658 117 HG3 ARG 17 3HG ARG 17 6.153 4.170 -21.466 118 HD2 ARG 17 2HD ARG 17 7.234 3.982 -24.125 119 HD3 ARG 17 3HD ARG 17 6.595 5.600 -23.834 120 HE ARG 17 HE ARG 17 8.076 5.000 -21.605 121 HH11 ARG 17 1HH1 ARG 17 8.678 5.192 -25.029 122 HH12 ARG 17 2HH1 ARG 17 10.337 5.656 -24.843 123 HH21 ARG 17 1HH2 ARG 17 10.259 5.610 -21.348 124 HH22 ARG 17 2HH2 ARG 17 11.235 5.892 -22.749 125 H LYS 18 H LYS 18 2.898 1.650 -25.366 126 HA LYS 18 HA LYS 18 1.815 -0.336 -25.652 127 HB2 LYS 18 2HB LYS 18 4.262 -0.504 -26.873 128 HB3 LYS 18 3HB LYS 18 4.274 -1.934 -25.849 129 HG2 LYS 18 2HG LYS 18 2.018 -2.501 -26.845 130 HG3 LYS 18 3HG LYS 18 2.332 -1.228 -28.027 131 HD2 LYS 18 2HD LYS 18 4.092 -3.628 -27.524 132 HD3 LYS 18 3HD LYS 18 2.966 -3.447 -28.871 133 HE2 LYS 18 2HE LYS 18 5.352 -1.690 -28.298 134 HE3 LYS 18 3HE LYS 18 5.255 -2.929 -29.549 135 HZ1 LYS 18 3HZ LYS 18 4.605 -1.242 -30.840 136 HZ2 LYS 18 1HZ LYS 18 4.204 -0.244 -29.534 137 HZ3 LYS 18 2HZ LYS 18 3.102 -1.404 -30.081 138 H GLY 19 H GLY 19 2.569 0.400 -22.918 139 HA2 GLY 19 2HA GLY 19 2.079 -0.607 -20.881 140 HA3 GLY 19 3HA GLY 19 2.028 -2.164 -21.694 141 H GLY 20 H GLY 20 3.172 -2.352 -19.382 142 HA2 GLY 20 2HA GLY 20 5.941 -2.884 -20.016 143 HA3 GLY 20 3HA GLY 20 5.713 -1.629 -18.806 144 H LYS 21 H LYS 21 6.715 -2.848 -17.192 145 HA LYS 21 HA LYS 21 4.954 -4.687 -15.842 146 HB2 LYS 21 2HB LYS 21 6.746 -6.458 -15.664 147 HB3 LYS 21 3HB LYS 21 5.982 -6.311 -17.241 148 HG2 LYS 21 2HG LYS 21 8.258 -4.599 -17.164 149 HG3 LYS 21 3HG LYS 21 8.728 -6.208 -16.608 150 HD2 LYS 21 2HD LYS 21 7.027 -5.973 -19.044 151 HD3 LYS 21 3HD LYS 21 8.746 -5.590 -19.170 152 HE2 LYS 21 2HE LYS 21 8.823 -7.823 -19.626 153 HE3 LYS 21 3HE LYS 21 8.981 -7.881 -17.872 154 HZ1 LYS 21 3HZ LYS 21 7.066 -9.132 -19.405 155 HZ2 LYS 21 1HZ LYS 21 6.250 -7.862 -18.640 156 HZ3 LYS 21 2HZ LYS 21 7.092 -9.003 -17.718 157 H CYS 22 H CYS 22 5.995 -5.458 -13.746 158 HA CYS 22 HA CYS 22 7.379 -3.174 -12.557 159 HB2 CYS 22 2HB CYS 22 5.493 -5.208 -11.607 160 HB3 CYS 22 3HB CYS 22 6.820 -4.904 -10.491 161 H LYS 23 H LYS 23 9.230 -3.420 -11.246 162 HA LYS 23 HA LYS 23 10.654 -5.974 -11.457 163 HB2 LYS 23 2HB LYS 23 11.306 -4.148 -13.227 164 HB3 LYS 23 3HB LYS 23 12.171 -3.427 -11.876 165 HG2 LYS 23 2HG LYS 23 13.872 -4.752 -12.384 166 HG3 LYS 23 3HG LYS 23 12.896 -6.106 -11.811 167 HD2 LYS 23 2HD LYS 23 12.442 -6.834 -13.905 168 HD3 LYS 23 3HD LYS 23 12.354 -5.200 -14.567 169 HE2 LYS 23 2HE LYS 23 15.013 -6.159 -13.679 170 HE3 LYS 23 3HE LYS 23 14.342 -6.893 -15.135 171 HZ1 LYS 23 3HZ LYS 23 15.774 -4.769 -15.323 172 HZ2 LYS 23 1HZ LYS 23 14.362 -3.964 -14.851 173 HZ3 LYS 23 2HZ LYS 23 14.370 -4.902 -16.258 174 H ASN 24 H ASN 24 10.477 -6.428 -9.301 175 HA ASN 24 HA ASN 24 10.840 -6.305 -7.055 176 HB2 ASN 24 2HB ASN 24 13.234 -4.694 -7.972 177 HB3 ASN 24 3HB ASN 24 13.041 -5.417 -6.378 178 HD21 ASN 24 1HD2 ASN 24 15.188 -5.955 -8.065 179 HD22 ASN 24 2HD2 ASN 24 15.110 -7.613 -8.545 180 H GLY 25 H GLY 25 9.003 -4.419 -7.998 181 HA2 GLY 25 2HA GLY 25 7.858 -2.841 -6.598 182 HA3 GLY 25 3HA GLY 25 9.419 -2.281 -6.018 183 H ASP 26 H ASP 26 10.582 -2.177 -8.700 184 HA ASP 26 HA ASP 26 9.802 0.484 -9.361 185 HB2 ASP 26 2HB ASP 26 11.569 -1.428 -10.903 186 HB3 ASP 26 3HB ASP 26 11.465 0.313 -11.150 187 H CYS 27 H CYS 27 9.357 1.071 -11.718 188 HA CYS 27 HA CYS 27 7.460 -0.842 -12.905 189 HB2 CYS 27 2HB CYS 27 6.146 0.852 -11.790 190 HB3 CYS 27 3HB CYS 27 7.091 2.136 -12.536 191 H VAL 28 H VAL 28 8.713 -1.512 -14.583 192 HA VAL 28 HA VAL 28 10.077 0.452 -16.249 193 HB VAL 28 HB VAL 28 9.998 -2.546 -16.593 194 HG11 VAL 28 1HG1 VAL 28 12.200 -2.028 -17.775 195 HG12 VAL 28 2HG1 VAL 28 10.711 -1.583 -18.611 196 HG13 VAL 28 3HG1 VAL 28 11.662 -0.349 -17.785 197 HG21 VAL 28 3HG2 VAL 28 11.021 -2.405 -14.544 198 HG22 VAL 28 1HG2 VAL 28 12.413 -2.207 -15.609 199 HG23 VAL 28 2HG2 VAL 28 11.671 -0.796 -14.856 200 H CYS 29 H CYS 29 9.495 1.005 -18.286 201 HA CYS 29 HA CYS 29 6.993 -0.166 -19.315 202 HB2 CYS 29 2HB CYS 29 8.072 2.640 -19.417 203 HB3 CYS 29 3HB CYS 29 6.870 2.089 -20.580 204 H ARG 30 H ARG 30 7.196 -1.329 -21.100 205 HA ARG 30 HA ARG 30 9.600 -1.637 -22.507 206 HB2 ARG 30 2HB ARG 30 6.768 -2.309 -23.318 207 HB3 ARG 30 3HB ARG 30 8.199 -2.834 -24.195 208 HG2 ARG 30 2HG ARG 30 8.873 -3.766 -21.815 209 HG3 ARG 30 3HG ARG 30 7.122 -3.754 -21.592 210 HD2 ARG 30 2HD ARG 30 8.480 -5.024 -23.959 211 HD3 ARG 30 3HD ARG 30 8.103 -5.902 -22.477 212 HE ARG 30 HE ARG 30 6.262 -5.099 -24.534 213 HH11 ARG 30 1HH1 ARG 30 6.614 -5.956 -21.179 214 HH12 ARG 30 2HH1 ARG 30 4.965 -6.458 -20.999 215 HH21 ARG 30 1HH2 ARG 30 4.089 -5.757 -24.311 216 HH22 ARG 30 2HH2 ARG 30 3.531 -6.345 -22.781 Start of MODEL 14 1 H1 PHE 1 H PHE 1 3.828 0.115 -0.572 2 HA PHE 1 HA PHE 1 1.659 0.059 -2.567 3 HB2 PHE 1 2HB PHE 1 4.644 0.148 -3.054 4 HB3 PHE 1 3HB PHE 1 3.423 -0.037 -4.308 5 HD1 PHE 1 HD2 PHE 1 1.589 1.837 -4.358 6 HD2 PHE 1 HD1 PHE 1 5.426 2.252 -2.563 7 HE1 PHE 1 HE2 PHE 1 1.407 4.283 -4.543 8 HE2 PHE 1 HE1 PHE 1 5.250 4.699 -2.743 9 HZ PHE 1 HZ PHE 1 3.239 5.718 -3.736 10 H SER 2 H SER 2 1.846 -1.809 -4.105 11 HA SER 2 HA SER 2 3.089 -4.178 -2.918 12 HB2 SER 2 2HB SER 2 0.500 -3.755 -2.374 13 HB3 SER 2 3HB SER 2 0.320 -4.532 -3.947 14 HG SER 2 HG SER 2 0.855 -5.654 -1.581 15 H CYS 3 H CYS 3 3.572 -2.485 -5.292 16 HA CYS 3 HA CYS 3 4.063 -2.680 -7.507 17 HB2 CYS 3 2HB CYS 3 5.296 -4.678 -6.350 18 HB3 CYS 3 3HB CYS 3 4.105 -5.662 -7.194 19 H ASP 4 H ASP 4 1.711 -2.041 -7.739 20 HA ASP 4 HA ASP 4 -0.153 -4.056 -8.564 21 HB2 ASP 4 2HB ASP 4 -0.200 -1.213 -8.022 22 HB3 ASP 4 3HB ASP 4 -1.064 -1.582 -9.512 23 H HIS 5 H HIS 5 0.534 -5.179 -10.324 24 HA HIS 5 HA HIS 5 1.885 -4.137 -12.539 25 HB2 HIS 5 2HB HIS 5 1.836 -6.523 -12.105 26 HB3 HIS 5 3HB HIS 5 0.090 -6.563 -12.330 27 HD1 HIS 5 HD1 HIS 5 3.303 -6.513 -14.200 28 HD2 HIS 5 HD2 HIS 5 -0.770 -6.435 -15.018 29 HE1 HIS 5 HE1 HIS 5 3.103 -6.969 -16.665 30 H SER 6 H SER 6 -1.486 -4.144 -11.713 31 HA SER 6 HA SER 6 -2.538 -3.680 -14.301 32 HB2 SER 6 2HB SER 6 -3.534 -3.681 -11.550 33 HB3 SER 6 3HB SER 6 -4.325 -2.478 -12.568 34 HG SER 6 HG SER 6 -5.316 -4.590 -12.605 35 H ALA 7 H ALA 7 -1.998 -1.426 -11.588 36 HA ALA 7 HA ALA 7 -2.644 0.933 -12.868 37 HB1 ALA 7 1HB ALA 7 -0.468 0.554 -10.814 38 HB2 ALA 7 2HB ALA 7 -1.288 2.066 -11.206 39 HB3 ALA 7 3HB ALA 7 -2.186 0.744 -10.462 40 H CYS 8 H CYS 8 0.491 -0.728 -12.780 41 HA CYS 8 HA CYS 8 1.890 1.225 -14.280 42 HB2 CYS 8 2HB CYS 8 2.490 -1.719 -13.917 43 HB3 CYS 8 3HB CYS 8 3.614 -0.519 -14.547 44 H ALA 9 H ALA 9 0.376 -1.858 -15.188 45 HA ALA 9 HA ALA 9 1.068 -1.965 -17.855 46 HB1 ALA 9 1HB ALA 9 -1.416 -2.869 -16.427 47 HB2 ALA 9 2HB ALA 9 -1.149 -3.179 -18.143 48 HB3 ALA 9 3HB ALA 9 -0.032 -3.833 -16.945 49 H VAL 10 H VAL 10 -1.750 -0.341 -16.411 50 HA VAL 10 HA VAL 10 -2.730 0.680 -18.876 51 HB VAL 10 HB VAL 10 -3.266 1.709 -16.086 52 HG11 VAL 10 1HG1 VAL 10 -5.518 2.206 -17.432 53 HG12 VAL 10 2HG1 VAL 10 -4.185 3.360 -17.343 54 HG13 VAL 10 3HG1 VAL 10 -4.367 2.328 -18.763 55 HG21 VAL 10 3HG2 VAL 10 -4.068 -0.400 -15.849 56 HG22 VAL 10 1HG2 VAL 10 -5.456 0.299 -16.683 57 HG23 VAL 10 2HG2 VAL 10 -4.266 -0.639 -17.585 58 H ARG 11 H ARG 11 -0.877 2.149 -16.218 59 HA ARG 11 HA ARG 11 -0.680 4.723 -17.287 60 HB2 ARG 11 2HB ARG 11 -0.062 3.949 -14.946 61 HB3 ARG 11 3HB ARG 11 1.457 3.388 -15.630 62 HG2 ARG 11 2HG ARG 11 2.176 5.553 -16.118 63 HG3 ARG 11 3HG ARG 11 0.550 6.222 -15.971 64 HD2 ARG 11 2HD ARG 11 1.385 6.884 -13.962 65 HD3 ARG 11 3HD ARG 11 0.804 5.285 -13.501 66 HE ARG 11 HE ARG 11 3.346 4.805 -14.268 67 HH11 ARG 11 1HH1 ARG 11 1.918 7.099 -12.073 68 HH12 ARG 11 2HH1 ARG 11 3.304 7.167 -11.036 69 HH21 ARG 11 1HH2 ARG 11 5.177 4.886 -12.910 70 HH22 ARG 11 2HH2 ARG 11 5.158 5.908 -11.514 71 H CYS 12 H CYS 12 0.879 1.796 -18.190 72 HA CYS 12 HA CYS 12 3.053 3.116 -19.586 73 HB2 CYS 12 2HB CYS 12 2.236 0.247 -19.204 74 HB3 CYS 12 3HB CYS 12 3.462 0.691 -20.387 75 H LEU 13 H LEU 13 0.243 1.112 -20.459 76 HA LEU 13 HA LEU 13 0.551 1.337 -23.242 77 HB2 LEU 13 2HB LEU 13 -1.365 0.149 -23.390 78 HB3 LEU 13 3HB LEU 13 -1.017 -0.143 -21.687 79 HG LEU 13 HG LEU 13 -2.538 2.014 -21.397 80 HD11 LEU 13 1HD1 LEU 13 -4.360 1.100 -23.342 81 HD12 LEU 13 2HD1 LEU 13 -2.825 1.380 -24.164 82 HD13 LEU 13 3HD1 LEU 13 -3.578 2.677 -23.236 83 HD21 LEU 13 3HD2 LEU 13 -3.854 -0.619 -21.984 84 HD22 LEU 13 1HD2 LEU 13 -4.286 0.587 -20.772 85 HD23 LEU 13 2HD2 LEU 13 -2.828 -0.385 -20.568 86 H ALA 14 H ALA 14 -0.756 3.500 -20.877 87 HA ALA 14 HA ALA 14 -2.195 5.124 -22.777 88 HB1 ALA 14 1HB ALA 14 -1.483 5.635 -19.891 89 HB2 ALA 14 2HB ALA 14 -2.559 6.633 -20.870 90 HB3 ALA 14 3HB ALA 14 -3.000 4.967 -20.495 91 H GLN 15 H GLN 15 1.012 4.957 -21.514 92 HA GLN 15 HA GLN 15 1.662 7.659 -22.402 93 HB2 GLN 15 2HB GLN 15 2.775 5.775 -20.502 94 HB3 GLN 15 3HB GLN 15 4.016 6.397 -21.582 95 HG2 GLN 15 2HG GLN 15 3.143 8.708 -21.020 96 HG3 GLN 15 3HG GLN 15 2.226 7.933 -19.729 97 HE21 GLN 15 1HE2 GLN 15 3.254 7.282 -17.903 98 HE22 GLN 15 2HE2 GLN 15 4.925 7.580 -17.582 99 H ARG 16 H ARG 16 1.036 5.205 -24.140 100 HA ARG 16 HA ARG 16 1.669 4.427 -26.182 101 HB2 ARG 16 2HB ARG 16 3.746 6.617 -26.188 102 HB3 ARG 16 3HB ARG 16 3.040 5.808 -27.580 103 HG2 ARG 16 2HG ARG 16 0.868 6.810 -27.054 104 HG3 ARG 16 3HG ARG 16 1.594 7.637 -25.675 105 HD2 ARG 16 2HD ARG 16 3.276 8.492 -27.520 106 HD3 ARG 16 3HD ARG 16 1.918 8.144 -28.590 107 HE ARG 16 HE ARG 16 1.054 9.670 -26.372 108 HH11 ARG 16 1HH1 ARG 16 2.846 9.936 -29.345 109 HH12 ARG 16 2HH1 ARG 16 2.478 11.614 -29.569 110 HH21 ARG 16 1HH2 ARG 16 0.563 11.879 -26.656 111 HH22 ARG 16 2HH2 ARG 16 1.180 12.719 -28.039 112 H ARG 17 H ARG 17 2.621 2.939 -24.210 113 HA ARG 17 HA ARG 17 5.335 2.254 -25.109 114 HB2 ARG 17 2HB ARG 17 4.414 2.053 -22.240 115 HB3 ARG 17 3HB ARG 17 6.032 1.762 -22.863 116 HG2 ARG 17 2HG ARG 17 4.616 4.419 -22.849 117 HG3 ARG 17 3HG ARG 17 5.866 3.909 -21.713 118 HD2 ARG 17 2HD ARG 17 6.842 3.485 -24.344 119 HD3 ARG 17 3HD ARG 17 6.167 5.112 -24.272 120 HE ARG 17 HE ARG 17 8.560 4.190 -23.019 121 HH11 ARG 17 1HH1 ARG 17 5.921 6.440 -22.722 122 HH12 ARG 17 2HH1 ARG 17 6.818 7.567 -21.760 123 HH21 ARG 17 1HH2 ARG 17 9.752 5.666 -21.753 124 HH22 ARG 17 2HH2 ARG 17 8.998 7.126 -21.210 125 H LYS 18 H LYS 18 2.402 1.284 -25.415 126 HA LYS 18 HA LYS 18 1.278 -0.690 -25.595 127 HB2 LYS 18 2HB LYS 18 3.782 -0.985 -26.754 128 HB3 LYS 18 3HB LYS 18 3.625 -2.412 -25.738 129 HG2 LYS 18 2HG LYS 18 1.265 -2.573 -26.872 130 HG3 LYS 18 3HG LYS 18 2.040 -1.591 -28.118 131 HD2 LYS 18 2HD LYS 18 2.641 -3.610 -28.937 132 HD3 LYS 18 3HD LYS 18 3.939 -3.464 -27.751 133 HE2 LYS 18 2HE LYS 18 1.306 -4.724 -27.055 134 HE3 LYS 18 3HE LYS 18 2.598 -5.652 -27.816 135 HZ1 LYS 18 3HZ LYS 18 3.921 -4.475 -25.824 136 HZ2 LYS 18 1HZ LYS 18 3.203 -6.002 -25.696 137 HZ3 LYS 18 2HZ LYS 18 2.397 -4.636 -25.108 138 H GLY 19 H GLY 19 2.070 0.164 -22.906 139 HA2 GLY 19 2HA GLY 19 1.576 -0.732 -20.818 140 HA3 GLY 19 3HA GLY 19 1.487 -2.326 -21.553 141 H GLY 20 H GLY 20 2.641 -2.514 -19.285 142 HA2 GLY 20 2HA GLY 20 5.446 -2.952 -19.919 143 HA3 GLY 20 3HA GLY 20 5.130 -1.820 -18.613 144 H LYS 21 H LYS 21 6.143 -3.138 -17.083 145 HA LYS 21 HA LYS 21 4.427 -5.130 -15.924 146 HB2 LYS 21 2HB LYS 21 6.196 -6.906 -15.912 147 HB3 LYS 21 3HB LYS 21 5.503 -6.580 -17.496 148 HG2 LYS 21 2HG LYS 21 7.795 -4.913 -17.084 149 HG3 LYS 21 3HG LYS 21 8.209 -6.600 -16.770 150 HD2 LYS 21 2HD LYS 21 6.787 -6.907 -19.023 151 HD3 LYS 21 3HD LYS 21 7.402 -5.274 -19.290 152 HE2 LYS 21 2HE LYS 21 9.673 -6.386 -18.531 153 HE3 LYS 21 3HE LYS 21 8.870 -7.856 -19.081 154 HZ1 LYS 21 3HZ LYS 21 10.263 -6.570 -20.757 155 HZ2 LYS 21 1HZ LYS 21 8.999 -5.446 -20.785 156 HZ3 LYS 21 2HZ LYS 21 8.714 -7.048 -21.244 157 H CYS 22 H CYS 22 5.336 -5.973 -13.858 158 HA CYS 22 HA CYS 22 6.567 -3.807 -12.409 159 HB2 CYS 22 2HB CYS 22 4.742 -5.707 -11.724 160 HB3 CYS 22 3HB CYS 22 6.210 -6.397 -11.040 161 H LYS 23 H LYS 23 8.523 -3.870 -11.285 162 HA LYS 23 HA LYS 23 10.346 -6.074 -11.970 163 HB2 LYS 23 2HB LYS 23 10.725 -4.062 -13.426 164 HB3 LYS 23 3HB LYS 23 11.127 -3.155 -11.974 165 HG2 LYS 23 2HG LYS 23 13.210 -3.750 -12.697 166 HG3 LYS 23 3HG LYS 23 12.850 -5.093 -11.609 167 HD2 LYS 23 2HD LYS 23 11.992 -6.343 -13.623 168 HD3 LYS 23 3HD LYS 23 12.664 -5.049 -14.617 169 HE2 LYS 23 2HE LYS 23 14.540 -6.267 -14.622 170 HE3 LYS 23 3HE LYS 23 14.762 -5.684 -12.973 171 HZ1 LYS 23 3HZ LYS 23 13.054 -7.868 -12.838 172 HZ2 LYS 23 1HZ LYS 23 14.656 -7.775 -12.300 173 HZ3 LYS 23 2HZ LYS 23 14.320 -8.320 -13.865 174 H ASN 24 H ASN 24 9.965 -6.878 -9.852 175 HA ASN 24 HA ASN 24 10.336 -7.116 -7.617 176 HB2 ASN 24 2HB ASN 24 12.736 -5.361 -8.178 177 HB3 ASN 24 3HB ASN 24 12.542 -6.472 -6.825 178 HD21 ASN 24 1HD2 ASN 24 14.457 -6.260 -9.153 179 HD22 ASN 24 2HD2 ASN 24 14.474 -7.851 -9.828 180 H GLY 25 H GLY 25 8.489 -5.136 -8.191 181 HA2 GLY 25 2HA GLY 25 7.391 -3.795 -6.521 182 HA3 GLY 25 3HA GLY 25 8.973 -3.288 -5.950 183 H ASP 26 H ASP 26 9.893 -2.886 -8.761 184 HA ASP 26 HA ASP 26 8.943 -0.163 -9.009 185 HB2 ASP 26 2HB ASP 26 11.149 -1.769 -10.239 186 HB3 ASP 26 3HB ASP 26 10.621 -0.289 -11.035 187 H CYS 27 H CYS 27 8.696 0.591 -11.426 188 HA CYS 27 HA CYS 27 6.924 -1.306 -12.817 189 HB2 CYS 27 2HB CYS 27 6.391 1.464 -11.902 190 HB3 CYS 27 3HB CYS 27 5.806 1.047 -13.509 191 H VAL 28 H VAL 28 7.929 -1.830 -14.644 192 HA VAL 28 HA VAL 28 9.441 0.238 -16.084 193 HB VAL 28 HB VAL 28 9.532 -2.744 -16.542 194 HG11 VAL 28 1HG1 VAL 28 11.878 -1.831 -17.431 195 HG12 VAL 28 2HG1 VAL 28 10.443 -1.928 -18.453 196 HG13 VAL 28 3HG1 VAL 28 10.897 -0.393 -17.712 197 HG21 VAL 28 3HG2 VAL 28 10.280 -2.191 -14.270 198 HG22 VAL 28 1HG2 VAL 28 11.612 -2.751 -15.280 199 HG23 VAL 28 2HG2 VAL 28 11.429 -1.031 -14.936 200 H CYS 29 H CYS 29 8.969 0.782 -18.165 201 HA CYS 29 HA CYS 29 6.503 -0.377 -19.283 202 HB2 CYS 29 2HB CYS 29 7.694 2.381 -19.453 203 HB3 CYS 29 3HB CYS 29 6.506 1.828 -20.629 204 H ARG 30 H ARG 30 6.686 -1.555 -21.063 205 HA ARG 30 HA ARG 30 8.876 -0.992 -22.934 206 HB2 ARG 30 2HB ARG 30 8.119 -3.735 -21.911 207 HB3 ARG 30 3HB ARG 30 9.257 -3.422 -23.215 208 HG2 ARG 30 2HG ARG 30 9.661 -2.255 -20.486 209 HG3 ARG 30 3HG ARG 30 10.186 -3.894 -20.878 210 HD2 ARG 30 2HD ARG 30 11.906 -3.175 -22.134 211 HD3 ARG 30 3HD ARG 30 10.970 -1.856 -22.836 212 HE ARG 30 HE ARG 30 11.393 -1.001 -20.318 213 HH11 ARG 30 1HH1 ARG 30 13.518 -2.260 -22.772 214 HH12 ARG 30 2HH1 ARG 30 14.890 -1.348 -22.236 215 HH21 ARG 30 1HH2 ARG 30 13.192 0.205 -19.603 216 HH22 ARG 30 2HH2 ARG 30 14.704 0.053 -20.433 Start of MODEL 15 1 H1 PHE 1 H PHE 1 2.598 -1.814 1.156 2 HA PHE 1 HA PHE 1 1.249 -0.324 -0.859 3 HB2 PHE 1 2HB PHE 1 3.984 0.439 -0.178 4 HB3 PHE 1 3HB PHE 1 3.805 0.000 -1.874 5 HD1 PHE 1 HD1 PHE 1 1.762 1.881 0.624 6 HD2 PHE 1 HD2 PHE 1 3.524 1.802 -3.249 7 HE1 PHE 1 HE1 PHE 1 0.818 4.103 0.154 8 HE2 PHE 1 HE2 PHE 1 2.584 4.025 -3.726 9 HZ PHE 1 HZ PHE 1 1.229 5.179 -2.023 10 H SER 2 H SER 2 1.951 -1.090 -3.098 11 HA SER 2 HA SER 2 3.393 -3.532 -3.330 12 HB2 SER 2 2HB SER 2 0.855 -3.912 -2.354 13 HB3 SER 2 3HB SER 2 0.613 -4.106 -4.090 14 HG SER 2 HG SER 2 1.458 -6.004 -3.873 15 H CYS 3 H CYS 3 4.207 -3.534 -5.312 16 HA CYS 3 HA CYS 3 3.463 -1.653 -7.271 17 HB2 CYS 3 2HB CYS 3 5.718 -2.810 -6.985 18 HB3 CYS 3 3HB CYS 3 5.002 -4.191 -7.810 19 H ASP 4 H ASP 4 1.387 -1.760 -7.973 20 HA ASP 4 HA ASP 4 0.140 -4.251 -8.688 21 HB2 ASP 4 2HB ASP 4 -0.664 -1.424 -8.484 22 HB3 ASP 4 3HB ASP 4 -1.486 -2.334 -9.748 23 H HIS 5 H HIS 5 0.651 -5.294 -10.489 24 HA HIS 5 HA HIS 5 2.038 -4.197 -12.663 25 HB2 HIS 5 2HB HIS 5 1.826 -6.653 -12.013 26 HB3 HIS 5 3HB HIS 5 0.263 -6.631 -12.824 27 HD1 HIS 5 HD1 HIS 5 3.768 -7.218 -13.443 28 HD2 HIS 5 HD2 HIS 5 0.536 -5.859 -15.674 29 HE1 HIS 5 HE1 HIS 5 4.453 -7.479 -15.849 30 H SER 6 H SER 6 -1.357 -4.362 -11.940 31 HA SER 6 HA SER 6 -2.334 -3.913 -14.564 32 HB2 SER 6 2HB SER 6 -3.626 -3.274 -11.900 33 HB3 SER 6 3HB SER 6 -4.455 -3.337 -13.456 34 HG SER 6 HG SER 6 -4.136 -5.312 -11.820 35 H ALA 7 H ALA 7 -2.046 -1.690 -11.788 36 HA ALA 7 HA ALA 7 -2.764 0.655 -13.055 37 HB1 ALA 7 1HB ALA 7 -1.284 -0.059 -10.640 38 HB2 ALA 7 2HB ALA 7 -0.837 1.510 -11.312 39 HB3 ALA 7 3HB ALA 7 -2.518 1.176 -10.894 40 H CYS 8 H CYS 8 0.488 -0.759 -12.771 41 HA CYS 8 HA CYS 8 1.817 1.281 -14.202 42 HB2 CYS 8 2HB CYS 8 2.568 -1.611 -13.733 43 HB3 CYS 8 3HB CYS 8 3.647 -0.408 -14.434 44 H ALA 9 H ALA 9 0.559 -1.884 -15.206 45 HA ALA 9 HA ALA 9 1.407 -1.932 -17.829 46 HB1 ALA 9 1HB ALA 9 -0.730 -3.264 -18.242 47 HB2 ALA 9 2HB ALA 9 0.378 -3.872 -17.011 48 HB3 ALA 9 3HB ALA 9 -1.080 -3.003 -16.534 49 H VAL 10 H VAL 10 -1.582 -0.491 -16.544 50 HA VAL 10 HA VAL 10 -2.481 0.485 -19.057 51 HB VAL 10 HB VAL 10 -3.234 1.427 -16.287 52 HG11 VAL 10 1HG1 VAL 10 -4.494 1.856 -18.987 53 HG12 VAL 10 2HG1 VAL 10 -5.344 2.132 -17.465 54 HG13 VAL 10 3HG1 VAL 10 -3.907 3.076 -17.857 55 HG21 VAL 10 3HG2 VAL 10 -4.367 -0.467 -16.043 56 HG22 VAL 10 1HG2 VAL 10 -5.238 -0.158 -17.545 57 HG23 VAL 10 2HG2 VAL 10 -3.714 -1.046 -17.576 58 H ARG 11 H ARG 11 -0.875 2.046 -16.294 59 HA ARG 11 HA ARG 11 -0.774 4.635 -17.343 60 HB2 ARG 11 2HB ARG 11 -0.295 4.147 -14.998 61 HB3 ARG 11 3HB ARG 11 1.154 3.265 -15.461 62 HG2 ARG 11 2HG ARG 11 2.217 5.263 -16.216 63 HG3 ARG 11 3HG ARG 11 0.727 6.188 -16.022 64 HD2 ARG 11 2HD ARG 11 1.779 6.762 -14.082 65 HD3 ARG 11 3HD ARG 11 0.933 5.314 -13.536 66 HE ARG 11 HE ARG 11 3.312 4.350 -14.381 67 HH11 ARG 11 1HH1 ARG 11 2.412 6.919 -12.210 68 HH12 ARG 11 2HH1 ARG 11 3.827 6.756 -11.223 69 HH21 ARG 11 1HH2 ARG 11 5.179 4.127 -13.089 70 HH22 ARG 11 2HH2 ARG 11 5.400 5.168 -11.724 71 H CYS 12 H CYS 12 1.009 1.813 -18.163 72 HA CYS 12 HA CYS 12 3.175 3.271 -19.428 73 HB2 CYS 12 2HB CYS 12 2.513 0.355 -19.101 74 HB3 CYS 12 3HB CYS 12 3.775 0.879 -20.211 75 H LEU 13 H LEU 13 0.545 1.106 -20.466 76 HA LEU 13 HA LEU 13 0.999 1.366 -23.227 77 HB2 LEU 13 2HB LEU 13 -0.830 0.065 -23.487 78 HB3 LEU 13 3HB LEU 13 -0.563 -0.215 -21.768 79 HG LEU 13 HG LEU 13 -2.226 1.844 -21.560 80 HD11 LEU 13 1HD1 LEU 13 -3.880 0.841 -23.603 81 HD12 LEU 13 2HD1 LEU 13 -2.320 1.201 -24.341 82 HD13 LEU 13 3HD1 LEU 13 -3.188 2.456 -23.458 83 HD21 LEU 13 3HD2 LEU 13 -2.355 -0.769 -20.992 84 HD22 LEU 13 1HD2 LEU 13 -3.601 -0.683 -22.238 85 HD23 LEU 13 2HD2 LEU 13 -3.723 0.328 -20.797 86 H ALA 14 H ALA 14 -0.570 3.432 -20.934 87 HA ALA 14 HA ALA 14 -1.995 4.978 -22.909 88 HB1 ALA 14 1HB ALA 14 -3.070 4.944 -20.844 89 HB2 ALA 14 2HB ALA 14 -1.576 5.237 -19.953 90 HB3 ALA 14 3HB ALA 14 -2.314 6.536 -20.890 91 H GLN 15 H GLN 15 1.139 4.997 -21.464 92 HA GLN 15 HA GLN 15 1.673 7.739 -22.306 93 HB2 GLN 15 2HB GLN 15 2.788 5.914 -20.350 94 HB3 GLN 15 3HB GLN 15 4.048 6.617 -21.355 95 HG2 GLN 15 2HG GLN 15 3.005 8.867 -20.838 96 HG3 GLN 15 3HG GLN 15 2.065 8.030 -19.604 97 HE21 GLN 15 1HE2 GLN 15 3.343 6.756 -18.024 98 HE22 GLN 15 2HE2 GLN 15 4.848 7.415 -17.490 99 H ARG 16 H ARG 16 1.298 5.262 -24.084 100 HA ARG 16 HA ARG 16 2.093 4.537 -26.088 101 HB2 ARG 16 2HB ARG 16 4.037 6.842 -25.975 102 HB3 ARG 16 3HB ARG 16 3.443 6.008 -27.404 103 HG2 ARG 16 2HG ARG 16 1.153 6.944 -26.141 104 HG3 ARG 16 3HG ARG 16 2.325 8.253 -25.981 105 HD2 ARG 16 2HD ARG 16 2.543 8.512 -28.273 106 HD3 ARG 16 3HD ARG 16 1.960 6.882 -28.612 107 HE ARG 16 HE ARG 16 -0.190 7.679 -28.593 108 HH11 ARG 16 1HH1 ARG 16 1.937 10.063 -27.210 109 HH12 ARG 16 2HH1 ARG 16 0.726 11.300 -27.152 110 HH21 ARG 16 1HH2 ARG 16 -1.794 9.299 -28.522 111 HH22 ARG 16 2HH2 ARG 16 -1.396 10.864 -27.898 112 H ARG 17 H ARG 17 3.019 3.097 -24.069 113 HA ARG 17 HA ARG 17 5.817 2.584 -24.812 114 HB2 ARG 17 2HB ARG 17 4.760 2.284 -22.001 115 HB3 ARG 17 3HB ARG 17 6.428 2.143 -22.540 116 HG2 ARG 17 2HG ARG 17 4.788 4.669 -22.576 117 HG3 ARG 17 3HG ARG 17 6.010 4.249 -21.373 118 HD2 ARG 17 2HD ARG 17 7.123 3.968 -23.990 119 HD3 ARG 17 3HD ARG 17 6.370 5.556 -23.849 120 HE ARG 17 HE ARG 17 8.756 4.665 -22.556 121 HH11 ARG 17 1HH1 ARG 17 6.017 6.792 -22.258 122 HH12 ARG 17 2HH1 ARG 17 6.830 7.904 -21.207 123 HH21 ARG 17 1HH2 ARG 17 9.837 6.121 -21.173 124 HH22 ARG 17 2HH2 ARG 17 9.003 7.522 -20.591 125 H LYS 18 H LYS 18 2.971 1.440 -25.289 126 HA LYS 18 HA LYS 18 1.981 -0.598 -25.539 127 HB2 LYS 18 2HB LYS 18 4.562 -0.733 -26.552 128 HB3 LYS 18 3HB LYS 18 4.431 -2.175 -25.552 129 HG2 LYS 18 2HG LYS 18 2.584 -2.979 -26.795 130 HG3 LYS 18 3HG LYS 18 2.393 -1.438 -27.634 131 HD2 LYS 18 2HD LYS 18 4.533 -1.764 -28.751 132 HD3 LYS 18 3HD LYS 18 4.773 -3.279 -27.878 133 HE2 LYS 18 2HE LYS 18 3.685 -4.353 -29.488 134 HE3 LYS 18 3HE LYS 18 2.236 -3.423 -29.109 135 HZ1 LYS 18 3HZ LYS 18 2.484 -2.175 -30.924 136 HZ2 LYS 18 1HZ LYS 18 3.561 -3.363 -31.465 137 HZ3 LYS 18 2HZ LYS 18 4.148 -1.976 -30.695 138 H GLY 19 H GLY 19 2.564 0.286 -22.807 139 HA2 GLY 19 2HA GLY 19 2.007 -0.652 -20.753 140 HA3 GLY 19 3HA GLY 19 2.057 -2.243 -21.497 141 H GLY 20 H GLY 20 3.088 -2.375 -19.166 142 HA2 GLY 20 2HA GLY 20 5.942 -2.657 -19.639 143 HA3 GLY 20 3HA GLY 20 5.498 -1.531 -18.365 144 H LYS 21 H LYS 21 6.515 -2.793 -16.783 145 HA LYS 21 HA LYS 21 4.838 -4.847 -15.675 146 HB2 LYS 21 2HB LYS 21 6.762 -6.504 -15.546 147 HB3 LYS 21 3HB LYS 21 5.997 -6.316 -17.119 148 HG2 LYS 21 2HG LYS 21 8.191 -4.475 -16.830 149 HG3 LYS 21 3HG LYS 21 8.712 -6.134 -16.524 150 HD2 LYS 21 2HD LYS 21 7.260 -6.582 -18.703 151 HD3 LYS 21 3HD LYS 21 7.664 -4.891 -19.011 152 HE2 LYS 21 2HE LYS 21 10.000 -5.359 -18.929 153 HE3 LYS 21 3HE LYS 21 9.713 -6.992 -18.330 154 HZ1 LYS 21 3HZ LYS 21 9.684 -6.002 -21.026 155 HZ2 LYS 21 1HZ LYS 21 8.323 -6.934 -20.651 156 HZ3 LYS 21 2HZ LYS 21 9.872 -7.584 -20.458 157 H CYS 22 H CYS 22 5.561 -5.533 -13.535 158 HA CYS 22 HA CYS 22 6.941 -3.355 -12.177 159 HB2 CYS 22 2HB CYS 22 4.978 -5.420 -11.424 160 HB3 CYS 22 3HB CYS 22 6.188 -5.070 -10.194 161 H LYS 23 H LYS 23 8.898 -3.508 -11.247 162 HA LYS 23 HA LYS 23 10.167 -6.159 -11.102 163 HB2 LYS 23 2HB LYS 23 10.986 -4.899 -13.081 164 HB3 LYS 23 3HB LYS 23 11.525 -3.613 -12.009 165 HG2 LYS 23 2HG LYS 23 13.111 -5.097 -10.958 166 HG3 LYS 23 3HG LYS 23 12.518 -6.455 -11.918 167 HD2 LYS 23 2HD LYS 23 13.209 -5.246 -13.969 168 HD3 LYS 23 3HD LYS 23 13.895 -3.976 -12.952 169 HE2 LYS 23 2HE LYS 23 15.047 -6.188 -11.882 170 HE3 LYS 23 3HE LYS 23 14.909 -6.666 -13.573 171 HZ1 LYS 23 3HZ LYS 23 16.005 -4.509 -14.130 172 HZ2 LYS 23 1HZ LYS 23 16.991 -5.606 -13.302 173 HZ3 LYS 23 2HZ LYS 23 16.312 -4.294 -12.480 174 H ASN 24 H ASN 24 9.899 -6.332 -8.894 175 HA ASN 24 HA ASN 24 10.280 -5.985 -6.675 176 HB2 ASN 24 2HB ASN 24 12.802 -4.606 -7.609 177 HB3 ASN 24 3HB ASN 24 12.533 -5.405 -6.063 178 HD21 ASN 24 1HD2 ASN 24 11.904 -7.759 -6.267 179 HD22 ASN 24 2HD2 ASN 24 12.788 -8.693 -7.422 180 H GLY 25 H GLY 25 8.690 -4.004 -7.968 181 HA2 GLY 25 2HA GLY 25 7.654 -2.183 -6.788 182 HA3 GLY 25 3HA GLY 25 9.236 -1.743 -6.162 183 H ASP 26 H ASP 26 10.520 -2.059 -8.790 184 HA ASP 26 HA ASP 26 9.930 0.588 -9.786 185 HB2 ASP 26 2HB ASP 26 11.951 -1.455 -10.735 186 HB3 ASP 26 3HB ASP 26 11.867 0.225 -11.259 187 H CYS 27 H CYS 27 8.238 0.838 -11.090 188 HA CYS 27 HA CYS 27 7.307 -1.286 -12.801 189 HB2 CYS 27 2HB CYS 27 6.370 1.455 -12.085 190 HB3 CYS 27 3HB CYS 27 5.777 0.740 -13.580 191 H VAL 28 H VAL 28 8.667 -1.712 -14.460 192 HA VAL 28 HA VAL 28 9.872 0.438 -15.988 193 HB VAL 28 HB VAL 28 9.993 -2.531 -16.529 194 HG11 VAL 28 1HG1 VAL 28 12.324 -1.403 -17.412 195 HG12 VAL 28 2HG1 VAL 28 10.932 -1.794 -18.425 196 HG13 VAL 28 3HG1 VAL 28 11.136 -0.158 -17.796 197 HG21 VAL 28 3HG2 VAL 28 11.535 -0.789 -14.662 198 HG22 VAL 28 1HG2 VAL 28 10.953 -2.440 -14.442 199 HG23 VAL 28 2HG2 VAL 28 12.355 -2.127 -15.467 200 H CYS 29 H CYS 29 9.200 1.187 -17.907 201 HA CYS 29 HA CYS 29 6.803 -0.049 -19.080 202 HB2 CYS 29 2HB CYS 29 7.834 2.769 -19.011 203 HB3 CYS 29 3HB CYS 29 6.725 2.268 -20.283 204 H ARG 30 H ARG 30 7.052 -1.154 -20.895 205 HA ARG 30 HA ARG 30 9.514 -1.226 -22.312 206 HB2 ARG 30 2HB ARG 30 6.946 -2.615 -22.396 207 HB3 ARG 30 3HB ARG 30 7.644 -2.377 -23.992 208 HG2 ARG 30 2HG ARG 30 9.811 -3.279 -22.733 209 HG3 ARG 30 3HG ARG 30 8.573 -4.053 -21.742 210 HD2 ARG 30 2HD ARG 30 8.304 -4.206 -24.698 211 HD3 ARG 30 3HD ARG 30 9.541 -5.197 -23.926 212 HE ARG 30 HE ARG 30 7.213 -5.612 -22.500 213 HH11 ARG 30 1HH1 ARG 30 8.325 -6.071 -25.767 214 HH12 ARG 30 2HH1 ARG 30 7.291 -7.428 -26.067 215 HH21 ARG 30 1HH2 ARG 30 5.847 -7.398 -22.883 216 HH22 ARG 30 2HH2 ARG 30 5.881 -8.182 -24.426 Start of MODEL 16 1 H1 PHE 1 H PHE 1 2.742 -2.037 1.246 2 HA PHE 1 HA PHE 1 2.410 -0.292 -1.101 3 HB2 PHE 1 2HB PHE 1 4.941 -1.819 -0.484 4 HB3 PHE 1 3HB PHE 1 4.692 -0.613 -1.742 5 HD1 PHE 1 HD2 PHE 1 4.073 1.770 -0.935 6 HD2 PHE 1 HD1 PHE 1 5.865 -1.197 1.535 7 HE1 PHE 1 HE2 PHE 1 4.870 3.528 0.592 8 HE2 PHE 1 HE1 PHE 1 6.664 0.556 3.067 9 HZ PHE 1 HZ PHE 1 6.168 2.922 2.595 10 H SER 2 H SER 2 2.114 -1.297 -3.058 11 HA SER 2 HA SER 2 2.416 -4.157 -3.324 12 HB2 SER 2 2HB SER 2 -0.337 -3.240 -3.969 13 HB3 SER 2 3HB SER 2 0.222 -4.806 -3.380 14 HG SER 2 HG SER 2 -0.982 -3.091 -1.953 15 H CYS 3 H CYS 3 3.457 -4.238 -5.200 16 HA CYS 3 HA CYS 3 3.299 -2.274 -7.217 17 HB2 CYS 3 2HB CYS 3 5.219 -3.855 -6.830 18 HB3 CYS 3 3HB CYS 3 4.239 -5.126 -7.553 19 H ASP 4 H ASP 4 1.206 -1.937 -7.894 20 HA ASP 4 HA ASP 4 -0.451 -4.123 -8.778 21 HB2 ASP 4 2HB ASP 4 -0.755 -1.156 -8.580 22 HB3 ASP 4 3HB ASP 4 -1.843 -2.049 -9.640 23 H HIS 5 H HIS 5 0.308 -5.136 -10.555 24 HA HIS 5 HA HIS 5 1.696 -3.958 -12.678 25 HB2 HIS 5 2HB HIS 5 1.771 -6.344 -12.362 26 HB3 HIS 5 3HB HIS 5 0.028 -6.476 -12.578 27 HD1 HIS 5 HD1 HIS 5 3.216 -6.297 -14.448 28 HD2 HIS 5 HD2 HIS 5 -0.855 -6.208 -15.273 29 HE1 HIS 5 HE1 HIS 5 3.024 -6.662 -16.929 30 H SER 6 H SER 6 -1.693 -4.110 -11.978 31 HA SER 6 HA SER 6 -2.689 -3.642 -14.582 32 HB2 SER 6 2HB SER 6 -3.917 -2.938 -11.905 33 HB3 SER 6 3HB SER 6 -4.773 -2.976 -13.446 34 HG SER 6 HG SER 6 -3.747 -5.102 -11.923 35 H ALA 7 H ALA 7 -2.308 -1.388 -11.842 36 HA ALA 7 HA ALA 7 -2.967 0.958 -13.137 37 HB1 ALA 7 1HB ALA 7 -0.986 0.483 -10.919 38 HB2 ALA 7 2HB ALA 7 -1.506 2.085 -11.444 39 HB3 ALA 7 3HB ALA 7 -2.680 0.953 -10.772 40 H CYS 8 H CYS 8 0.205 -0.621 -12.937 41 HA CYS 8 HA CYS 8 1.600 1.381 -14.382 42 HB2 CYS 8 2HB CYS 8 2.511 -0.518 -12.851 43 HB3 CYS 8 3HB CYS 8 2.464 -1.493 -14.316 44 H ALA 9 H ALA 9 0.208 -1.745 -15.327 45 HA ALA 9 HA ALA 9 1.020 -1.863 -17.959 46 HB1 ALA 9 1HB ALA 9 -0.147 -3.689 -16.863 47 HB2 ALA 9 2HB ALA 9 -1.631 -2.737 -16.818 48 HB3 ALA 9 3HB ALA 9 -0.961 -3.253 -18.366 49 H VAL 10 H VAL 10 -1.892 -0.286 -16.659 50 HA VAL 10 HA VAL 10 -2.782 0.691 -19.176 51 HB VAL 10 HB VAL 10 -3.463 1.670 -16.399 52 HG11 VAL 10 1HG1 VAL 10 -4.159 3.395 -17.776 53 HG12 VAL 10 2HG1 VAL 10 -4.549 2.310 -19.112 54 HG13 VAL 10 3HG1 VAL 10 -5.597 2.378 -17.694 55 HG21 VAL 10 3HG2 VAL 10 -4.221 -0.693 -17.894 56 HG22 VAL 10 1HG2 VAL 10 -4.509 -0.287 -16.203 57 HG23 VAL 10 2HG2 VAL 10 -5.622 0.281 -17.448 58 H ARG 11 H ARG 11 -1.081 2.224 -16.453 59 HA ARG 11 HA ARG 11 -0.890 4.792 -17.538 60 HB2 ARG 11 2HB ARG 11 -0.401 4.408 -15.211 61 HB3 ARG 11 3HB ARG 11 0.929 3.333 -15.620 62 HG2 ARG 11 2HG ARG 11 2.202 5.169 -16.516 63 HG3 ARG 11 3HG ARG 11 0.845 6.270 -16.273 64 HD2 ARG 11 2HD ARG 11 1.966 6.747 -14.366 65 HD3 ARG 11 3HD ARG 11 1.094 5.331 -13.780 66 HE ARG 11 HE ARG 11 3.503 4.471 -14.905 67 HH11 ARG 11 1HH1 ARG 11 2.364 6.327 -12.189 68 HH12 ARG 11 2HH1 ARG 11 3.713 5.923 -11.179 69 HH21 ARG 11 1HH2 ARG 11 5.284 3.931 -13.586 70 HH22 ARG 11 2HH2 ARG 11 5.374 4.560 -11.975 71 H CYS 12 H CYS 12 0.769 1.890 -18.341 72 HA CYS 12 HA CYS 12 2.975 3.244 -19.652 73 HB2 CYS 12 2HB CYS 12 2.202 0.361 -19.277 74 HB3 CYS 12 3HB CYS 12 3.470 0.820 -20.409 75 H LEU 13 H LEU 13 0.250 1.171 -20.629 76 HA LEU 13 HA LEU 13 0.678 1.377 -23.398 77 HB2 LEU 13 2HB LEU 13 -1.204 0.146 -23.619 78 HB3 LEU 13 3HB LEU 13 -0.927 -0.122 -21.899 79 HG LEU 13 HG LEU 13 -2.504 2.005 -21.699 80 HD11 LEU 13 1HD1 LEU 13 -3.472 2.628 -23.591 81 HD12 LEU 13 2HD1 LEU 13 -4.219 1.036 -23.713 82 HD13 LEU 13 3HD1 LEU 13 -2.655 1.336 -24.470 83 HD21 LEU 13 3HD2 LEU 13 -4.212 0.555 -21.085 84 HD22 LEU 13 1HD2 LEU 13 -2.764 -0.436 -20.906 85 HD23 LEU 13 2HD2 LEU 13 -3.792 -0.625 -22.327 86 H ALA 14 H ALA 14 -0.779 3.534 -21.116 87 HA ALA 14 HA ALA 14 -2.165 5.109 -23.095 88 HB1 ALA 14 1HB ALA 14 -1.779 5.257 -20.148 89 HB2 ALA 14 2HB ALA 14 -2.262 6.717 -21.013 90 HB3 ALA 14 3HB ALA 14 -3.266 5.270 -21.096 91 H GLN 15 H GLN 15 0.985 5.021 -21.688 92 HA GLN 15 HA GLN 15 1.618 7.728 -22.575 93 HB2 GLN 15 2HB GLN 15 2.684 5.886 -20.607 94 HB3 GLN 15 3HB GLN 15 3.958 6.525 -21.637 95 HG2 GLN 15 2HG GLN 15 3.014 8.822 -21.138 96 HG3 GLN 15 3HG GLN 15 2.055 8.040 -19.882 97 HE21 GLN 15 1HE2 GLN 15 3.783 6.227 -18.854 98 HE22 GLN 15 2HE2 GLN 15 5.132 7.028 -18.131 99 H ARG 16 H ARG 16 1.121 5.245 -24.313 100 HA ARG 16 HA ARG 16 1.861 4.462 -26.317 101 HB2 ARG 16 2HB ARG 16 3.919 6.665 -26.281 102 HB3 ARG 16 3HB ARG 16 3.215 5.865 -27.680 103 HG2 ARG 16 2HG ARG 16 0.995 6.849 -26.938 104 HG3 ARG 16 3HG ARG 16 1.937 7.856 -25.836 105 HD2 ARG 16 2HD ARG 16 2.430 9.258 -27.486 106 HD3 ARG 16 3HD ARG 16 3.120 7.942 -28.435 107 HE ARG 16 HE ARG 16 0.340 7.813 -28.665 108 HH11 ARG 16 1HH1 ARG 16 2.970 9.909 -29.566 109 HH12 ARG 16 2HH1 ARG 16 2.171 10.523 -30.975 110 HH21 ARG 16 1HH2 ARG 16 -0.723 8.613 -30.518 111 HH22 ARG 16 2HH2 ARG 16 0.070 9.786 -31.515 112 H ARG 17 H ARG 17 2.755 3.013 -24.289 113 HA ARG 17 HA ARG 17 5.520 2.378 -25.059 114 HB2 ARG 17 2HB ARG 17 4.483 2.171 -22.232 115 HB3 ARG 17 3HB ARG 17 6.135 1.933 -22.784 116 HG2 ARG 17 2HG ARG 17 4.647 4.547 -22.908 117 HG3 ARG 17 3HG ARG 17 5.782 4.088 -21.638 118 HD2 ARG 17 2HD ARG 17 7.051 3.636 -24.129 119 HD3 ARG 17 3HD ARG 17 6.319 5.239 -24.188 120 HE ARG 17 HE ARG 17 7.580 5.219 -21.794 121 HH11 ARG 17 1HH1 ARG 17 8.595 4.504 -25.046 122 HH12 ARG 17 2HH1 ARG 17 10.231 5.009 -24.786 123 HH21 ARG 17 1HH2 ARG 17 9.732 5.887 -21.438 124 HH22 ARG 17 2HH2 ARG 17 10.877 5.795 -22.733 125 H LYS 18 H LYS 18 2.625 1.343 -25.486 126 HA LYS 18 HA LYS 18 1.551 -0.657 -25.695 127 HB2 LYS 18 2HB LYS 18 3.848 -0.895 -26.979 128 HB3 LYS 18 3HB LYS 18 4.185 -2.070 -25.714 129 HG2 LYS 18 2HG LYS 18 3.071 -3.589 -26.870 130 HG3 LYS 18 3HG LYS 18 1.599 -2.636 -26.671 131 HD2 LYS 18 2HD LYS 18 2.844 -1.291 -28.682 132 HD3 LYS 18 3HD LYS 18 3.349 -2.951 -29.009 133 HE2 LYS 18 2HE LYS 18 0.805 -3.463 -28.626 134 HE3 LYS 18 3HE LYS 18 0.615 -1.754 -29.013 135 HZ1 LYS 18 3HZ LYS 18 2.347 -2.985 -30.877 136 HZ2 LYS 18 1HZ LYS 18 0.870 -2.206 -31.152 137 HZ3 LYS 18 2HZ LYS 18 0.900 -3.857 -30.789 138 H GLY 19 H GLY 19 2.204 0.240 -22.982 139 HA2 GLY 19 2HA GLY 19 1.635 -0.646 -20.909 140 HA3 GLY 19 3HA GLY 19 1.613 -2.249 -21.631 141 H GLY 20 H GLY 20 2.668 -2.483 -19.358 142 HA2 GLY 20 2HA GLY 20 5.491 -2.883 -19.843 143 HA3 GLY 20 3HA GLY 20 5.138 -1.686 -18.605 144 H LYS 21 H LYS 21 6.123 -2.951 -17.001 145 HA LYS 21 HA LYS 21 4.353 -4.865 -15.784 146 HB2 LYS 21 2HB LYS 21 5.969 -6.705 -15.693 147 HB3 LYS 21 3HB LYS 21 5.538 -6.319 -17.354 148 HG2 LYS 21 2HG LYS 21 7.807 -4.769 -16.686 149 HG3 LYS 21 3HG LYS 21 8.112 -6.425 -16.156 150 HD2 LYS 21 2HD LYS 21 7.020 -6.860 -18.599 151 HD3 LYS 21 3HD LYS 21 7.842 -5.321 -18.871 152 HE2 LYS 21 2HE LYS 21 9.845 -6.493 -17.696 153 HE3 LYS 21 3HE LYS 21 8.987 -7.978 -18.106 154 HZ1 LYS 21 3HZ LYS 21 10.274 -6.026 -19.869 155 HZ2 LYS 21 1HZ LYS 21 8.907 -6.838 -20.449 156 HZ3 LYS 21 2HZ LYS 21 10.265 -7.716 -19.954 157 H CYS 22 H CYS 22 5.360 -5.725 -13.699 158 HA CYS 22 HA CYS 22 6.525 -3.467 -12.306 159 HB2 CYS 22 2HB CYS 22 4.766 -5.539 -11.607 160 HB3 CYS 22 3HB CYS 22 6.234 -5.842 -10.684 161 H LYS 23 H LYS 23 8.429 -3.569 -11.042 162 HA LYS 23 HA LYS 23 10.251 -5.793 -11.638 163 HB2 LYS 23 2HB LYS 23 10.745 -3.935 -13.194 164 HB3 LYS 23 3HB LYS 23 10.993 -2.867 -11.819 165 HG2 LYS 23 2HG LYS 23 12.600 -5.299 -11.707 166 HG3 LYS 23 3HG LYS 23 12.940 -4.283 -13.110 167 HD2 LYS 23 2HD LYS 23 12.872 -2.389 -11.225 168 HD3 LYS 23 3HD LYS 23 13.367 -3.756 -10.224 169 HE2 LYS 23 2HE LYS 23 14.772 -3.359 -12.808 170 HE3 LYS 23 3HE LYS 23 15.116 -2.217 -11.510 171 HZ1 LYS 23 3HZ LYS 23 15.238 -5.141 -11.085 172 HZ2 LYS 23 1HZ LYS 23 15.914 -3.913 -10.138 173 HZ3 LYS 23 2HZ LYS 23 16.569 -4.268 -11.656 174 H ASN 24 H ASN 24 10.002 -6.570 -9.540 175 HA ASN 24 HA ASN 24 10.347 -6.736 -7.294 176 HB2 ASN 24 2HB ASN 24 12.650 -4.973 -8.129 177 HB3 ASN 24 3HB ASN 24 12.477 -5.588 -6.488 178 HD21 ASN 24 1HD2 ASN 24 13.381 -7.466 -6.054 179 HD22 ASN 24 2HD2 ASN 24 13.878 -8.644 -7.215 180 H GLY 25 H GLY 25 8.453 -4.756 -8.104 181 HA2 GLY 25 2HA GLY 25 7.167 -3.498 -6.488 182 HA3 GLY 25 3HA GLY 25 8.682 -2.940 -5.792 183 H ASP 26 H ASP 26 9.698 -2.563 -8.637 184 HA ASP 26 HA ASP 26 8.774 0.172 -8.881 185 HB2 ASP 26 2HB ASP 26 10.792 -1.293 -10.591 186 HB3 ASP 26 3HB ASP 26 10.562 0.450 -10.483 187 H CYS 27 H CYS 27 8.534 0.957 -11.270 188 HA CYS 27 HA CYS 27 6.758 -0.921 -12.687 189 HB2 CYS 27 2HB CYS 27 5.395 0.776 -11.621 190 HB3 CYS 27 3HB CYS 27 6.400 2.056 -12.294 191 H VAL 28 H VAL 28 7.744 -1.510 -14.501 192 HA VAL 28 HA VAL 28 9.319 0.497 -15.972 193 HB VAL 28 HB VAL 28 9.453 -2.504 -16.280 194 HG11 VAL 28 1HG1 VAL 28 10.275 -1.591 -18.250 195 HG12 VAL 28 2HG1 VAL 28 10.987 -0.202 -17.427 196 HG13 VAL 28 3HG1 VAL 28 11.730 -1.795 -17.275 197 HG21 VAL 28 3HG2 VAL 28 11.278 -0.673 -14.721 198 HG22 VAL 28 1HG2 VAL 28 10.161 -1.854 -14.035 199 HG23 VAL 28 2HG2 VAL 28 11.534 -2.396 -14.999 200 H CYS 29 H CYS 29 8.854 0.975 -18.061 201 HA CYS 29 HA CYS 29 6.436 -0.272 -19.185 202 HB2 CYS 29 2HB CYS 29 7.617 2.482 -19.486 203 HB3 CYS 29 3HB CYS 29 6.426 1.861 -20.624 204 H ARG 30 H ARG 30 6.678 -1.549 -20.888 205 HA ARG 30 HA ARG 30 9.135 -1.298 -22.492 206 HB2 ARG 30 2HB ARG 30 7.592 -3.619 -21.503 207 HB3 ARG 30 3HB ARG 30 8.199 -3.750 -23.148 208 HG2 ARG 30 2HG ARG 30 10.146 -2.801 -21.161 209 HG3 ARG 30 3HG ARG 30 9.590 -4.463 -20.955 210 HD2 ARG 30 2HD ARG 30 11.326 -4.833 -22.383 211 HD3 ARG 30 3HD ARG 30 10.046 -4.547 -23.562 212 HE ARG 30 HE ARG 30 11.190 -2.085 -23.008 213 HH11 ARG 30 1HH1 ARG 30 12.171 -5.139 -24.362 214 HH12 ARG 30 2HH1 ARG 30 13.377 -4.443 -25.393 215 HH21 ARG 30 1HH2 ARG 30 12.775 -1.157 -24.361 216 HH22 ARG 30 2HH2 ARG 30 13.720 -2.178 -25.391 Start of MODEL 17 1 H1 PHE 1 H PHE 1 5.566 -0.154 -1.804 2 HA PHE 1 HA PHE 1 2.825 0.085 -1.833 3 HB2 PHE 1 2HB PHE 1 4.044 0.945 -4.342 4 HB3 PHE 1 3HB PHE 1 2.873 -0.351 -4.567 5 HD1 PHE 1 HD1 PHE 1 0.533 -0.036 -3.772 6 HD2 PHE 1 HD2 PHE 1 3.361 3.143 -3.849 7 HE1 PHE 1 HE1 PHE 1 -1.303 1.596 -3.624 8 HE2 PHE 1 HE2 PHE 1 1.530 4.780 -3.700 9 HZ PHE 1 HZ PHE 1 -0.805 4.007 -3.587 10 H SER 2 H SER 2 1.794 -1.803 -3.238 11 HA SER 2 HA SER 2 3.415 -4.166 -2.628 12 HB2 SER 2 2HB SER 2 0.458 -3.716 -2.970 13 HB3 SER 2 3HB SER 2 1.145 -5.340 -3.020 14 HG SER 2 HG SER 2 0.396 -4.384 -0.900 15 H CYS 3 H CYS 3 3.905 -2.565 -4.998 16 HA CYS 3 HA CYS 3 4.247 -2.774 -7.240 17 HB2 CYS 3 2HB CYS 3 5.620 -4.638 -6.578 18 HB3 CYS 3 3HB CYS 3 4.213 -5.685 -6.429 19 H ASP 4 H ASP 4 2.267 -1.884 -7.901 20 HA ASP 4 HA ASP 4 0.069 -3.723 -8.464 21 HB2 ASP 4 2HB ASP 4 0.333 -0.732 -8.396 22 HB3 ASP 4 3HB ASP 4 -1.028 -1.488 -9.221 23 H HIS 5 H HIS 5 0.547 -4.875 -10.263 24 HA HIS 5 HA HIS 5 1.940 -3.900 -12.506 25 HB2 HIS 5 2HB HIS 5 1.797 -6.275 -12.112 26 HB3 HIS 5 3HB HIS 5 0.039 -6.233 -12.217 27 HD1 HIS 5 HD1 HIS 5 -0.223 -7.766 -14.206 28 HD2 HIS 5 HD2 HIS 5 2.359 -4.594 -14.936 29 HE1 HIS 5 HE1 HIS 5 0.237 -7.829 -16.678 30 H SER 6 H SER 6 -1.425 -3.804 -11.604 31 HA SER 6 HA SER 6 -2.511 -3.234 -14.149 32 HB2 SER 6 2HB SER 6 -3.515 -3.626 -11.573 33 HB3 SER 6 3HB SER 6 -3.970 -1.971 -11.978 34 HG SER 6 HG SER 6 -5.573 -3.154 -12.829 35 H ALA 7 H ALA 7 -1.828 -1.045 -11.415 36 HA ALA 7 HA ALA 7 -2.394 1.356 -12.651 37 HB1 ALA 7 1HB ALA 7 -0.046 1.277 -10.836 38 HB2 ALA 7 2HB ALA 7 -1.432 2.367 -10.850 39 HB3 ALA 7 3HB ALA 7 -1.600 0.736 -10.202 40 H CYS 8 H CYS 8 0.686 -0.414 -12.613 41 HA CYS 8 HA CYS 8 2.125 1.498 -14.127 42 HB2 CYS 8 2HB CYS 8 2.603 -1.447 -13.646 43 HB3 CYS 8 3HB CYS 8 3.739 -0.398 -14.488 44 H ALA 9 H ALA 9 0.477 -1.517 -15.016 45 HA ALA 9 HA ALA 9 1.140 -1.666 -17.688 46 HB1 ALA 9 1HB ALA 9 -1.486 -2.375 -16.388 47 HB2 ALA 9 2HB ALA 9 -0.976 -2.893 -17.995 48 HB3 ALA 9 3HB ALA 9 -0.083 -3.427 -16.571 49 H VAL 10 H VAL 10 -1.586 0.094 -16.228 50 HA VAL 10 HA VAL 10 -2.536 1.154 -18.688 51 HB VAL 10 HB VAL 10 -2.999 2.237 -15.907 52 HG11 VAL 10 1HG1 VAL 10 -5.251 2.782 -17.237 53 HG12 VAL 10 2HG1 VAL 10 -3.880 3.892 -17.185 54 HG13 VAL 10 3HG1 VAL 10 -4.112 2.840 -18.582 55 HG21 VAL 10 3HG2 VAL 10 -4.012 -0.150 -17.282 56 HG22 VAL 10 1HG2 VAL 10 -3.949 0.230 -15.561 57 HG23 VAL 10 2HG2 VAL 10 -5.256 0.869 -16.558 58 H ARG 11 H ARG 11 -0.594 2.541 -16.050 59 HA ARG 11 HA ARG 11 -0.283 5.100 -17.129 60 HB2 ARG 11 2HB ARG 11 0.296 4.439 -14.799 61 HB3 ARG 11 3HB ARG 11 1.706 3.593 -15.424 62 HG2 ARG 11 2HG ARG 11 2.869 5.498 -15.771 63 HG3 ARG 11 3HG ARG 11 1.430 6.429 -16.192 64 HD2 ARG 11 2HD ARG 11 1.698 5.489 -13.390 65 HD3 ARG 11 3HD ARG 11 2.752 6.800 -13.916 66 HE ARG 11 HE ARG 11 0.030 7.273 -14.617 67 HH11 ARG 11 1HH1 ARG 11 2.313 7.419 -11.993 68 HH12 ARG 11 2HH1 ARG 11 1.458 8.666 -11.147 69 HH21 ARG 11 1HH2 ARG 11 -1.104 8.915 -13.512 70 HH22 ARG 11 2HH2 ARG 11 -0.486 9.515 -12.011 71 H CYS 12 H CYS 12 1.128 2.099 -18.034 72 HA CYS 12 HA CYS 12 3.351 3.310 -19.452 73 HB2 CYS 12 2HB CYS 12 2.401 0.484 -19.055 74 HB3 CYS 12 3HB CYS 12 3.637 0.865 -20.248 75 H LEU 13 H LEU 13 0.441 1.440 -20.296 76 HA LEU 13 HA LEU 13 0.738 1.642 -23.083 77 HB2 LEU 13 2HB LEU 13 -1.234 0.546 -23.211 78 HB3 LEU 13 3HB LEU 13 -0.887 0.243 -21.510 79 HG LEU 13 HG LEU 13 -2.301 2.472 -21.215 80 HD11 LEU 13 1HD1 LEU 13 -3.321 3.178 -23.050 81 HD12 LEU 13 2HD1 LEU 13 -4.181 1.641 -23.142 82 HD13 LEU 13 3HD1 LEU 13 -2.642 1.840 -23.978 83 HD21 LEU 13 3HD2 LEU 13 -4.046 1.138 -20.492 84 HD22 LEU 13 1HD2 LEU 13 -2.682 0.021 -20.451 85 HD23 LEU 13 2HD2 LEU 13 -3.827 -0.035 -21.791 86 H ALA 14 H ALA 14 -0.446 3.872 -20.714 87 HA ALA 14 HA ALA 14 -1.821 5.558 -22.607 88 HB1 ALA 14 1HB ALA 14 -2.717 5.576 -20.428 89 HB2 ALA 14 2HB ALA 14 -1.138 5.860 -19.696 90 HB3 ALA 14 3HB ALA 14 -1.920 7.137 -20.628 91 H GLN 15 H GLN 15 1.385 5.241 -21.369 92 HA GLN 15 HA GLN 15 2.156 7.906 -22.271 93 HB2 GLN 15 2HB GLN 15 3.193 5.976 -20.373 94 HB3 GLN 15 3HB GLN 15 4.453 6.536 -21.465 95 HG2 GLN 15 2HG GLN 15 3.697 8.887 -20.903 96 HG3 GLN 15 3HG GLN 15 2.753 8.161 -19.603 97 HE21 GLN 15 1HE2 GLN 15 3.728 7.728 -17.733 98 HE22 GLN 15 2HE2 GLN 15 5.427 7.845 -17.444 99 H ARG 16 H ARG 16 1.399 5.480 -23.997 100 HA ARG 16 HA ARG 16 1.977 4.668 -26.041 101 HB2 ARG 16 2HB ARG 16 4.159 6.753 -26.073 102 HB3 ARG 16 3HB ARG 16 3.396 5.979 -27.455 103 HG2 ARG 16 2HG ARG 16 1.997 7.818 -25.525 104 HG3 ARG 16 3HG ARG 16 2.640 8.294 -27.098 105 HD2 ARG 16 2HD ARG 16 0.681 7.722 -27.980 106 HD3 ARG 16 3HD ARG 16 1.078 6.045 -27.608 107 HE ARG 16 HE ARG 16 0.031 6.995 -25.288 108 HH11 ARG 16 1HH1 ARG 16 -1.065 6.911 -28.591 109 HH12 ARG 16 2HH1 ARG 16 -2.743 6.824 -28.168 110 HH21 ARG 16 1HH2 ARG 16 -2.175 6.881 -24.719 111 HH22 ARG 16 2HH2 ARG 16 -3.373 6.809 -25.966 112 H ARG 17 H ARG 17 2.873 3.142 -24.072 113 HA ARG 17 HA ARG 17 5.545 2.326 -24.990 114 HB2 ARG 17 2HB ARG 17 4.658 2.126 -22.114 115 HB3 ARG 17 3HB ARG 17 6.267 1.847 -22.768 116 HG2 ARG 17 2HG ARG 17 4.872 4.513 -22.774 117 HG3 ARG 17 3HG ARG 17 6.030 3.990 -21.550 118 HD2 ARG 17 2HD ARG 17 6.719 3.982 -24.470 119 HD3 ARG 17 3HD ARG 17 6.885 5.439 -23.491 120 HE ARG 17 HE ARG 17 8.624 3.188 -23.507 121 HH11 ARG 17 1HH1 ARG 17 7.290 5.660 -21.451 122 HH12 ARG 17 2HH1 ARG 17 8.624 5.645 -20.346 123 HH21 ARG 17 1HH2 ARG 17 10.387 3.158 -22.059 124 HH22 ARG 17 2HH2 ARG 17 10.386 4.222 -20.693 125 H LYS 18 H LYS 18 2.566 1.496 -25.270 126 HA LYS 18 HA LYS 18 1.348 -0.423 -25.435 127 HB2 LYS 18 2HB LYS 18 4.151 -1.444 -25.875 128 HB3 LYS 18 3HB LYS 18 2.735 -2.474 -26.044 129 HG2 LYS 18 2HG LYS 18 1.953 -0.510 -27.637 130 HG3 LYS 18 3HG LYS 18 3.696 -0.263 -27.770 131 HD2 LYS 18 2HD LYS 18 2.715 -3.045 -28.029 132 HD3 LYS 18 3HD LYS 18 2.335 -1.940 -29.352 133 HE2 LYS 18 2HE LYS 18 4.361 -2.653 -30.086 134 HE3 LYS 18 3HE LYS 18 4.913 -1.338 -29.048 135 HZ1 LYS 18 3HZ LYS 18 4.663 -4.139 -28.111 136 HZ2 LYS 18 1HZ LYS 18 5.446 -2.855 -27.336 137 HZ3 LYS 18 2HZ LYS 18 6.094 -3.507 -28.756 138 H GLY 19 H GLY 19 2.201 0.399 -22.755 139 HA2 GLY 19 2HA GLY 19 1.682 -0.467 -20.661 140 HA3 GLY 19 3HA GLY 19 1.512 -2.056 -21.391 141 H GLY 20 H GLY 20 2.665 -2.394 -19.182 142 HA2 GLY 20 2HA GLY 20 5.445 -2.921 -19.822 143 HA3 GLY 20 3HA GLY 20 5.191 -1.788 -18.503 144 H LYS 21 H LYS 21 6.174 -3.185 -17.014 145 HA LYS 21 HA LYS 21 4.368 -5.093 -15.843 146 HB2 LYS 21 2HB LYS 21 6.012 -6.969 -15.886 147 HB3 LYS 21 3HB LYS 21 5.355 -6.565 -17.467 148 HG2 LYS 21 2HG LYS 21 7.621 -5.008 -17.308 149 HG3 LYS 21 3HG LYS 21 8.097 -6.513 -16.519 150 HD2 LYS 21 2HD LYS 21 6.700 -7.364 -18.743 151 HD3 LYS 21 3HD LYS 21 7.589 -5.957 -19.331 152 HE2 LYS 21 2HE LYS 21 8.998 -8.005 -17.678 153 HE3 LYS 21 3HE LYS 21 8.679 -8.337 -19.380 154 HZ1 LYS 21 3HZ LYS 21 10.875 -7.288 -18.897 155 HZ2 LYS 21 1HZ LYS 21 10.051 -5.885 -18.432 156 HZ3 LYS 21 2HZ LYS 21 9.930 -6.449 -20.022 157 H CYS 22 H CYS 22 5.283 -6.022 -13.808 158 HA CYS 22 HA CYS 22 6.650 -3.937 -12.357 159 HB2 CYS 22 2HB CYS 22 4.740 -5.778 -11.672 160 HB3 CYS 22 3HB CYS 22 6.190 -6.488 -10.971 161 H LYS 23 H LYS 23 8.659 -4.033 -11.420 162 HA LYS 23 HA LYS 23 10.321 -6.373 -12.080 163 HB2 LYS 23 2HB LYS 23 10.681 -4.241 -13.502 164 HB3 LYS 23 3HB LYS 23 11.423 -3.576 -12.052 165 HG2 LYS 23 2HG LYS 23 12.562 -6.121 -12.458 166 HG3 LYS 23 3HG LYS 23 12.549 -5.302 -14.021 167 HD2 LYS 23 2HD LYS 23 13.712 -3.405 -13.084 168 HD3 LYS 23 3HD LYS 23 13.617 -4.103 -11.466 169 HE2 LYS 23 2HE LYS 23 14.943 -6.049 -12.340 170 HE3 LYS 23 3HE LYS 23 15.180 -5.133 -13.828 171 HZ1 LYS 23 3HZ LYS 23 16.190 -4.526 -11.119 172 HZ2 LYS 23 1HZ LYS 23 16.091 -3.327 -12.308 173 HZ3 LYS 23 2HZ LYS 23 17.062 -4.689 -12.559 174 H ASN 24 H ASN 24 10.094 -7.192 -9.984 175 HA ASN 24 HA ASN 24 10.534 -7.443 -7.762 176 HB2 ASN 24 2HB ASN 24 12.901 -5.697 -8.481 177 HB3 ASN 24 3HB ASN 24 12.761 -6.677 -7.024 178 HD21 ASN 24 1HD2 ASN 24 12.754 -6.873 -10.549 179 HD22 ASN 24 2HD2 ASN 24 13.463 -8.446 -10.640 180 H GLY 25 H GLY 25 8.671 -5.434 -8.310 181 HA2 GLY 25 2HA GLY 25 7.589 -4.119 -6.611 182 HA3 GLY 25 3HA GLY 25 9.177 -3.640 -6.029 183 H ASP 26 H ASP 26 10.107 -3.176 -8.823 184 HA ASP 26 HA ASP 26 9.211 -0.437 -9.002 185 HB2 ASP 26 2HB ASP 26 11.258 -2.049 -10.525 186 HB3 ASP 26 3HB ASP 26 10.861 -0.384 -10.943 187 H CYS 27 H CYS 27 8.988 0.350 -11.441 188 HA CYS 27 HA CYS 27 7.103 -1.447 -12.811 189 HB2 CYS 27 2HB CYS 27 6.675 1.301 -11.807 190 HB3 CYS 27 3HB CYS 27 6.083 0.985 -13.435 191 H VAL 28 H VAL 28 8.084 -1.984 -14.651 192 HA VAL 28 HA VAL 28 9.614 0.067 -16.099 193 HB VAL 28 HB VAL 28 9.641 -2.921 -16.539 194 HG11 VAL 28 1HG1 VAL 28 10.371 -1.969 -18.526 195 HG12 VAL 28 2HG1 VAL 28 11.165 -0.623 -17.707 196 HG13 VAL 28 3HG1 VAL 28 11.875 -2.237 -17.646 197 HG21 VAL 28 3HG2 VAL 28 11.741 -2.964 -15.347 198 HG22 VAL 28 1HG2 VAL 28 11.668 -1.220 -15.090 199 HG23 VAL 28 2HG2 VAL 28 10.494 -2.277 -14.306 200 H CYS 29 H CYS 29 9.074 0.687 -18.128 201 HA CYS 29 HA CYS 29 6.561 -0.393 -19.206 202 HB2 CYS 29 2HB CYS 29 7.913 2.284 -19.477 203 HB3 CYS 29 3HB CYS 29 6.645 1.779 -20.588 204 H ARG 30 H ARG 30 6.659 -1.649 -20.937 205 HA ARG 30 HA ARG 30 8.891 -1.291 -22.822 206 HB2 ARG 30 2HB ARG 30 7.995 -3.739 -21.406 207 HB3 ARG 30 3HB ARG 30 8.419 -3.924 -23.103 208 HG2 ARG 30 2HG ARG 30 10.409 -2.370 -21.722 209 HG3 ARG 30 3HG ARG 30 10.144 -3.918 -20.918 210 HD2 ARG 30 2HD ARG 30 11.680 -4.593 -22.449 211 HD3 ARG 30 3HD ARG 30 10.230 -4.783 -23.433 212 HE ARG 30 HE ARG 30 11.056 -2.210 -23.876 213 HH11 ARG 30 1HH1 ARG 30 12.473 -5.373 -24.208 214 HH12 ARG 30 2HH1 ARG 30 13.496 -4.919 -25.530 215 HH21 ARG 30 1HH2 ARG 30 12.399 -1.600 -25.616 216 HH22 ARG 30 2HH2 ARG 30 13.454 -2.772 -26.330 Start of MODEL 18 1 H1 PHE 1 H PHE 1 1.032 -2.857 0.706 2 HA PHE 1 HA PHE 1 0.837 -1.048 -1.170 3 HB2 PHE 1 2HB PHE 1 3.644 -0.601 -0.148 4 HB3 PHE 1 3HB PHE 1 2.817 0.277 -1.431 5 HD1 PHE 1 HD1 PHE 1 0.314 1.065 -0.407 6 HD2 PHE 1 HD2 PHE 1 4.019 0.745 1.664 7 HE1 PHE 1 HE1 PHE 1 -0.461 2.731 1.230 8 HE2 PHE 1 HE2 PHE 1 3.250 2.409 3.304 9 HZ PHE 1 HZ PHE 1 1.008 3.404 3.090 10 H SER 2 H SER 2 1.378 -1.869 -3.126 11 HA SER 2 HA SER 2 3.618 -3.654 -3.458 12 HB2 SER 2 2HB SER 2 1.046 -4.736 -2.823 13 HB3 SER 2 3HB SER 2 1.435 -5.154 -4.491 14 HG SER 2 HG SER 2 2.318 -6.722 -3.196 15 H CYS 3 H CYS 3 4.413 -3.410 -5.442 16 HA CYS 3 HA CYS 3 3.350 -1.615 -7.293 17 HB2 CYS 3 2HB CYS 3 5.714 -2.187 -7.274 18 HB3 CYS 3 3HB CYS 3 5.344 -3.851 -7.715 19 H ASP 4 H ASP 4 1.314 -1.955 -8.017 20 HA ASP 4 HA ASP 4 0.391 -4.546 -8.847 21 HB2 ASP 4 2HB ASP 4 -0.761 -1.845 -8.549 22 HB3 ASP 4 3HB ASP 4 -1.473 -2.825 -9.828 23 H HIS 5 H HIS 5 0.812 -5.454 -10.737 24 HA HIS 5 HA HIS 5 2.198 -4.223 -12.826 25 HB2 HIS 5 2HB HIS 5 0.503 -6.719 -12.756 26 HB3 HIS 5 3HB HIS 5 1.414 -6.225 -14.181 27 HD1 HIS 5 HD1 HIS 5 2.858 -8.384 -13.991 28 HD2 HIS 5 HD2 HIS 5 3.167 -5.809 -10.745 29 HE1 HIS 5 HE1 HIS 5 4.870 -9.166 -12.701 30 H SER 6 H SER 6 -1.197 -4.359 -12.117 31 HA SER 6 HA SER 6 -2.200 -3.756 -14.685 32 HB2 SER 6 2HB SER 6 -3.403 -3.095 -11.985 33 HB3 SER 6 3HB SER 6 -4.265 -3.120 -13.524 34 HG SER 6 HG SER 6 -3.458 -5.209 -11.909 35 H ALA 7 H ALA 7 -1.693 -1.625 -11.869 36 HA ALA 7 HA ALA 7 -2.337 0.788 -13.040 37 HB1 ALA 7 1HB ALA 7 -1.227 -0.041 -10.622 38 HB2 ALA 7 2HB ALA 7 -0.065 1.105 -11.292 39 HB3 ALA 7 3HB ALA 7 -1.745 1.589 -11.053 40 H CYS 8 H CYS 8 0.878 -0.741 -12.885 41 HA CYS 8 HA CYS 8 2.219 1.250 -14.361 42 HB2 CYS 8 2HB CYS 8 3.228 -0.593 -12.900 43 HB3 CYS 8 3HB CYS 8 3.018 -1.656 -14.288 44 H ALA 9 H ALA 9 0.766 -1.835 -15.340 45 HA ALA 9 HA ALA 9 1.518 -1.913 -17.992 46 HB1 ALA 9 1HB ALA 9 -0.999 -2.837 -16.634 47 HB2 ALA 9 2HB ALA 9 -0.683 -3.133 -18.344 48 HB3 ALA 9 3HB ALA 9 0.403 -3.792 -17.120 49 H VAL 10 H VAL 10 -1.338 -0.313 -16.596 50 HA VAL 10 HA VAL 10 -2.265 0.731 -19.071 51 HB VAL 10 HB VAL 10 -2.866 1.686 -16.268 52 HG11 VAL 10 1HG1 VAL 10 -4.369 2.138 -18.844 53 HG12 VAL 10 2HG1 VAL 10 -4.861 2.687 -17.241 54 HG13 VAL 10 3HG1 VAL 10 -3.406 3.343 -17.991 55 HG21 VAL 10 3HG2 VAL 10 -4.428 -0.213 -18.016 56 HG22 VAL 10 1HG2 VAL 10 -3.399 -0.698 -16.668 57 HG23 VAL 10 2HG2 VAL 10 -4.831 0.288 -16.374 58 H ARG 11 H ARG 11 -0.478 2.178 -16.358 59 HA ARG 11 HA ARG 11 -0.264 4.764 -17.395 60 HB2 ARG 11 2HB ARG 11 0.334 3.866 -15.048 61 HB3 ARG 11 3HB ARG 11 1.904 3.491 -15.747 62 HG2 ARG 11 2HG ARG 11 2.531 5.658 -15.852 63 HG3 ARG 11 3HG ARG 11 0.894 6.230 -16.179 64 HD2 ARG 11 2HD ARG 11 1.504 5.080 -13.501 65 HD3 ARG 11 3HD ARG 11 2.075 6.706 -13.874 66 HE ARG 11 HE ARG 11 -0.658 6.457 -14.542 67 HH11 ARG 11 1HH1 ARG 11 1.467 6.706 -11.796 68 HH12 ARG 11 2HH1 ARG 11 0.276 7.444 -10.776 69 HH21 ARG 11 1HH2 ARG 11 -2.235 7.427 -13.210 70 HH22 ARG 11 2HH2 ARG 11 -1.829 7.852 -11.581 71 H CYS 12 H CYS 12 1.324 1.851 -18.292 72 HA CYS 12 HA CYS 12 3.525 3.191 -19.625 73 HB2 CYS 12 2HB CYS 12 2.707 0.316 -19.292 74 HB3 CYS 12 3HB CYS 12 3.959 0.775 -20.442 75 H LEU 13 H LEU 13 0.740 1.190 -20.582 76 HA LEU 13 HA LEU 13 1.111 1.445 -23.356 77 HB2 LEU 13 2HB LEU 13 -0.798 0.253 -23.559 78 HB3 LEU 13 3HB LEU 13 -0.488 -0.055 -21.852 79 HG LEU 13 HG LEU 13 -2.020 2.095 -21.573 80 HD11 LEU 13 1HD1 LEU 13 -3.015 2.775 -23.432 81 HD12 LEU 13 2HD1 LEU 13 -3.799 1.201 -23.565 82 HD13 LEU 13 3HD1 LEU 13 -2.247 1.482 -24.353 83 HD21 LEU 13 3HD2 LEU 13 -2.286 -0.454 -20.940 84 HD22 LEU 13 1HD2 LEU 13 -3.491 -0.405 -22.226 85 HD23 LEU 13 2HD2 LEU 13 -3.643 0.668 -20.835 86 H ALA 14 H ALA 14 -0.255 3.579 -20.998 87 HA ALA 14 HA ALA 14 -1.655 5.220 -22.913 88 HB1 ALA 14 1HB ALA 14 -1.924 6.758 -20.934 89 HB2 ALA 14 2HB ALA 14 -2.601 5.140 -20.742 90 HB3 ALA 14 3HB ALA 14 -1.063 5.549 -19.981 91 H GLN 15 H GLN 15 1.523 5.047 -21.579 92 HA GLN 15 HA GLN 15 2.185 7.760 -22.424 93 HB2 GLN 15 2HB GLN 15 3.261 5.858 -20.519 94 HB3 GLN 15 3HB GLN 15 4.523 6.495 -21.564 95 HG2 GLN 15 2HG GLN 15 3.632 8.798 -20.997 96 HG3 GLN 15 3HG GLN 15 2.689 8.007 -19.736 97 HE21 GLN 15 1HE2 GLN 15 3.906 6.721 -18.161 98 HE22 GLN 15 2HE2 GLN 15 5.480 7.259 -17.696 99 H ARG 16 H ARG 16 1.605 5.323 -24.202 100 HA ARG 16 HA ARG 16 2.286 4.569 -26.237 101 HB2 ARG 16 2HB ARG 16 4.361 6.759 -26.178 102 HB3 ARG 16 3HB ARG 16 3.675 5.969 -27.591 103 HG2 ARG 16 2HG ARG 16 1.430 6.946 -26.544 104 HG3 ARG 16 3HG ARG 16 2.572 8.123 -25.895 105 HD2 ARG 16 2HD ARG 16 3.187 8.879 -27.991 106 HD3 ARG 16 3HD ARG 16 2.686 7.387 -28.787 107 HE ARG 16 HE ARG 16 0.522 8.884 -27.615 108 HH11 ARG 16 1HH1 ARG 16 2.503 8.417 -30.440 109 HH12 ARG 16 2HH1 ARG 16 1.333 9.083 -31.530 110 HH21 ARG 16 1HH2 ARG 16 -1.026 9.762 -29.041 111 HH22 ARG 16 2HH2 ARG 16 -0.674 9.848 -30.733 112 H ARG 17 H ARG 17 3.197 3.062 -24.260 113 HA ARG 17 HA ARG 17 5.933 2.394 -25.105 114 HB2 ARG 17 2HB ARG 17 4.977 2.099 -22.260 115 HB3 ARG 17 3HB ARG 17 6.617 1.932 -22.872 116 HG2 ARG 17 2HG ARG 17 5.035 4.493 -22.787 117 HG3 ARG 17 3HG ARG 17 6.301 4.022 -21.650 118 HD2 ARG 17 2HD ARG 17 7.363 3.743 -24.254 119 HD3 ARG 17 3HD ARG 17 6.548 5.305 -24.189 120 HE ARG 17 HE ARG 17 8.083 5.090 -21.887 121 HH11 ARG 17 1HH1 ARG 17 8.580 5.208 -25.330 122 HH12 ARG 17 2HH1 ARG 17 10.142 5.949 -25.211 123 HH21 ARG 17 1HH2 ARG 17 10.138 6.065 -21.717 124 HH22 ARG 17 2HH2 ARG 17 11.027 6.435 -23.155 125 H LYS 18 H LYS 18 3.010 1.420 -25.487 126 HA LYS 18 HA LYS 18 1.896 -0.555 -25.713 127 HB2 LYS 18 2HB LYS 18 4.243 -0.804 -26.989 128 HB3 LYS 18 3HB LYS 18 4.433 -2.097 -25.812 129 HG2 LYS 18 2HG LYS 18 3.430 -3.309 -27.420 130 HG3 LYS 18 3HG LYS 18 1.963 -2.656 -26.688 131 HD2 LYS 18 2HD LYS 18 3.103 -0.850 -28.654 132 HD3 LYS 18 3HD LYS 18 2.726 -2.431 -29.343 133 HE2 LYS 18 2HE LYS 18 0.448 -2.272 -28.556 134 HE3 LYS 18 3HE LYS 18 0.806 -0.760 -27.724 135 HZ1 LYS 18 3HZ LYS 18 0.359 -1.259 -30.558 136 HZ2 LYS 18 1HZ LYS 18 1.543 -0.113 -30.176 137 HZ3 LYS 18 2HZ LYS 18 -0.042 0.090 -29.619 138 H GLY 19 H GLY 19 2.625 0.272 -22.998 139 HA2 GLY 19 2HA GLY 19 2.087 -0.647 -20.931 140 HA3 GLY 19 3HA GLY 19 2.020 -2.233 -21.685 141 H GLY 20 H GLY 20 3.125 -2.378 -19.363 142 HA2 GLY 20 2HA GLY 20 5.898 -2.961 -19.932 143 HA3 GLY 20 3HA GLY 20 5.666 -1.671 -18.761 144 H LYS 21 H LYS 21 6.668 -2.907 -17.135 145 HA LYS 21 HA LYS 21 4.849 -4.618 -15.709 146 HB2 LYS 21 2HB LYS 21 6.516 -6.501 -15.542 147 HB3 LYS 21 3HB LYS 21 5.740 -6.326 -17.110 148 HG2 LYS 21 2HG LYS 21 8.157 -4.784 -17.035 149 HG3 LYS 21 3HG LYS 21 8.479 -6.452 -16.557 150 HD2 LYS 21 2HD LYS 21 6.746 -6.000 -18.928 151 HD3 LYS 21 3HD LYS 21 8.474 -5.685 -19.101 152 HE2 LYS 21 2HE LYS 21 8.665 -8.038 -17.922 153 HE3 LYS 21 3HE LYS 21 7.044 -8.245 -18.584 154 HZ1 LYS 21 3HZ LYS 21 7.886 -8.593 -20.590 155 HZ2 LYS 21 1HZ LYS 21 9.432 -8.613 -19.903 156 HZ3 LYS 21 2HZ LYS 21 8.806 -7.174 -20.534 157 H CYS 22 H CYS 22 5.703 -5.234 -13.573 158 HA CYS 22 HA CYS 22 7.233 -3.055 -12.454 159 HB2 CYS 22 2HB CYS 22 5.572 -5.280 -11.395 160 HB3 CYS 22 3HB CYS 22 6.837 -4.659 -10.339 161 H LYS 23 H LYS 23 9.152 -3.269 -11.240 162 HA LYS 23 HA LYS 23 10.630 -5.781 -11.556 163 HB2 LYS 23 2HB LYS 23 11.205 -4.109 -13.387 164 HB3 LYS 23 3HB LYS 23 11.900 -3.104 -12.122 165 HG2 LYS 23 2HG LYS 23 12.938 -5.740 -11.855 166 HG3 LYS 23 3HG LYS 23 13.102 -5.231 -13.537 167 HD2 LYS 23 2HD LYS 23 13.906 -2.986 -12.282 168 HD3 LYS 23 3HD LYS 23 14.411 -4.197 -11.102 169 HE2 LYS 23 2HE LYS 23 15.655 -5.378 -12.840 170 HE3 LYS 23 3HE LYS 23 15.130 -4.191 -14.033 171 HZ1 LYS 23 3HZ LYS 23 17.434 -4.012 -12.768 172 HZ2 LYS 23 1HZ LYS 23 16.476 -3.166 -11.660 173 HZ3 LYS 23 2HZ LYS 23 16.570 -2.646 -13.267 174 H ASN 24 H ASN 24 10.569 -6.260 -9.397 175 HA ASN 24 HA ASN 24 11.044 -6.152 -7.172 176 HB2 ASN 24 2HB ASN 24 13.355 -4.651 -8.391 177 HB3 ASN 24 3HB ASN 24 13.255 -4.943 -6.657 178 HD21 ASN 24 1HD2 ASN 24 14.545 -6.537 -6.118 179 HD22 ASN 24 2HD2 ASN 24 14.761 -8.015 -6.987 180 H GLY 25 H GLY 25 9.096 -4.335 -7.959 181 HA2 GLY 25 2HA GLY 25 7.980 -2.793 -6.511 182 HA3 GLY 25 3HA GLY 25 9.550 -2.207 -5.982 183 H ASP 26 H ASP 26 10.574 -2.057 -8.738 184 HA ASP 26 HA ASP 26 9.660 0.600 -9.317 185 HB2 ASP 26 2HB ASP 26 11.607 -1.215 -10.753 186 HB3 ASP 26 3HB ASP 26 11.293 0.456 -11.210 187 H CYS 27 H CYS 27 9.327 1.103 -11.782 188 HA CYS 27 HA CYS 27 7.469 -0.870 -12.925 189 HB2 CYS 27 2HB CYS 27 6.100 0.817 -11.861 190 HB3 CYS 27 3HB CYS 27 7.011 2.105 -12.641 191 H VAL 28 H VAL 28 8.709 -1.544 -14.600 192 HA VAL 28 HA VAL 28 10.066 0.416 -16.280 193 HB VAL 28 HB VAL 28 10.048 -2.588 -16.576 194 HG11 VAL 28 1HG1 VAL 28 11.237 -2.240 -18.417 195 HG12 VAL 28 2HG1 VAL 28 11.047 -0.498 -18.206 196 HG13 VAL 28 3HG1 VAL 28 12.429 -1.328 -17.491 197 HG21 VAL 28 3HG2 VAL 28 12.209 -2.561 -15.420 198 HG22 VAL 28 1HG2 VAL 28 12.025 -0.832 -15.124 199 HG23 VAL 28 2HG2 VAL 28 10.910 -1.978 -14.379 200 H CYS 29 H CYS 29 9.438 0.982 -18.286 201 HA CYS 29 HA CYS 29 6.959 -0.234 -19.307 202 HB2 CYS 29 2HB CYS 29 8.115 2.534 -19.594 203 HB3 CYS 29 3HB CYS 29 6.846 1.944 -20.662 204 H ARG 30 H ARG 30 7.165 -1.517 -21.006 205 HA ARG 30 HA ARG 30 9.547 -1.962 -22.390 206 HB2 ARG 30 2HB ARG 30 6.680 -2.580 -23.090 207 HB3 ARG 30 3HB ARG 30 8.028 -3.088 -24.098 208 HG2 ARG 30 2HG ARG 30 8.956 -4.216 -22.017 209 HG3 ARG 30 3HG ARG 30 7.365 -3.946 -21.302 210 HD2 ARG 30 2HD ARG 30 7.700 -5.306 -23.958 211 HD3 ARG 30 3HD ARG 30 7.800 -6.198 -22.441 212 HE ARG 30 HE ARG 30 5.446 -4.713 -22.388 213 HH11 ARG 30 1HH1 ARG 30 6.844 -7.334 -24.204 214 HH12 ARG 30 2HH1 ARG 30 5.317 -8.063 -24.577 215 HH21 ARG 30 1HH2 ARG 30 3.430 -5.664 -22.871 216 HH22 ARG 30 2HH2 ARG 30 3.376 -7.111 -23.819 Start of MODEL 19 1 H1 PHE 1 H PHE 1 3.559 -2.382 0.072 2 HA PHE 1 HA PHE 1 1.604 -2.953 -1.595 3 HB2 PHE 1 2HB PHE 1 2.942 -0.533 -2.822 4 HB3 PHE 1 3HB PHE 1 1.662 -1.499 -3.548 5 HD1 PHE 1 HD2 PHE 1 -0.445 -1.767 -1.842 6 HD2 PHE 1 HD1 PHE 1 2.290 1.491 -1.993 7 HE1 PHE 1 HE2 PHE 1 -2.134 -0.307 -0.809 8 HE2 PHE 1 HE1 PHE 1 0.605 2.957 -0.959 9 HZ PHE 1 HZ PHE 1 -1.610 2.059 -0.367 10 H SER 2 H SER 2 2.222 -3.965 -3.647 11 HA SER 2 HA SER 2 5.099 -4.603 -3.710 12 HB2 SER 2 2HB SER 2 2.908 -6.449 -4.657 13 HB3 SER 2 3HB SER 2 4.590 -6.844 -4.305 14 HG SER 2 HG SER 2 2.884 -7.371 -2.669 15 H CYS 3 H CYS 3 4.060 -2.424 -5.123 16 HA CYS 3 HA CYS 3 3.975 -1.480 -7.194 17 HB2 CYS 3 2HB CYS 3 6.289 -2.663 -7.104 18 HB3 CYS 3 3HB CYS 3 5.568 -3.805 -8.233 19 H ASP 4 H ASP 4 1.755 -1.794 -7.532 20 HA ASP 4 HA ASP 4 0.532 -4.110 -8.481 21 HB2 ASP 4 2HB ASP 4 -0.204 -1.381 -8.051 22 HB3 ASP 4 3HB ASP 4 -0.799 -1.878 -9.633 23 H HIS 5 H HIS 5 0.480 -5.111 -10.390 24 HA HIS 5 HA HIS 5 2.145 -4.191 -12.530 25 HB2 HIS 5 2HB HIS 5 0.501 -6.609 -11.976 26 HB3 HIS 5 3HB HIS 5 0.880 -6.257 -13.660 27 HD1 HIS 5 HD1 HIS 5 2.592 -8.025 -14.125 28 HD2 HIS 5 HD2 HIS 5 3.427 -5.870 -10.672 29 HE1 HIS 5 HE1 HIS 5 4.884 -8.770 -13.405 30 H SER 6 H SER 6 -1.244 -4.056 -11.785 31 HA SER 6 HA SER 6 -2.169 -3.526 -14.425 32 HB2 SER 6 2HB SER 6 -3.407 -3.003 -11.716 33 HB3 SER 6 3HB SER 6 -4.241 -2.723 -13.244 34 HG SER 6 HG SER 6 -4.636 -4.775 -13.343 35 H ALA 7 H ALA 7 -1.554 -1.430 -11.614 36 HA ALA 7 HA ALA 7 -2.208 1.011 -12.741 37 HB1 ALA 7 1HB ALA 7 -0.075 0.371 -10.710 38 HB2 ALA 7 2HB ALA 7 -0.642 1.999 -11.088 39 HB3 ALA 7 3HB ALA 7 -1.751 0.818 -10.391 40 H CYS 8 H CYS 8 0.951 -0.628 -12.741 41 HA CYS 8 HA CYS 8 2.290 1.368 -14.235 42 HB2 CYS 8 2HB CYS 8 3.365 -0.423 -12.809 43 HB3 CYS 8 3HB CYS 8 3.019 -1.561 -14.107 44 H ALA 9 H ALA 9 0.783 -1.708 -15.165 45 HA ALA 9 HA ALA 9 1.450 -1.790 -17.839 46 HB1 ALA 9 1HB ALA 9 0.281 -3.594 -16.664 47 HB2 ALA 9 2HB ALA 9 -1.184 -2.612 -16.623 48 HB3 ALA 9 3HB ALA 9 -0.533 -3.159 -18.168 49 H VAL 10 H VAL 10 -1.351 -0.176 -16.353 50 HA VAL 10 HA VAL 10 -2.351 0.873 -18.798 51 HB VAL 10 HB VAL 10 -2.859 1.807 -15.970 52 HG11 VAL 10 1HG1 VAL 10 -5.011 2.652 -17.064 53 HG12 VAL 10 2HG1 VAL 10 -3.534 3.573 -17.353 54 HG13 VAL 10 3HG1 VAL 10 -4.152 2.482 -18.594 55 HG21 VAL 10 3HG2 VAL 10 -3.589 -0.585 -17.255 56 HG22 VAL 10 1HG2 VAL 10 -4.172 0.035 -15.711 57 HG23 VAL 10 2HG2 VAL 10 -5.041 0.413 -17.198 58 H ARG 11 H ARG 11 -0.472 2.312 -16.143 59 HA ARG 11 HA ARG 11 -0.279 4.896 -17.188 60 HB2 ARG 11 2HB ARG 11 0.325 4.310 -14.875 61 HB3 ARG 11 3HB ARG 11 1.720 3.418 -15.467 62 HG2 ARG 11 2HG ARG 11 2.929 5.288 -15.851 63 HG3 ARG 11 3HG ARG 11 1.514 6.244 -16.298 64 HD2 ARG 11 2HD ARG 11 2.000 7.212 -14.292 65 HD3 ARG 11 3HD ARG 11 0.937 5.919 -13.738 66 HE ARG 11 HE ARG 11 2.733 4.912 -12.721 67 HH11 ARG 11 1HH1 ARG 11 3.858 7.416 -14.861 68 HH12 ARG 11 2HH1 ARG 11 5.493 7.348 -14.293 69 HH21 ARG 11 1HH2 ARG 11 4.883 4.812 -11.964 70 HH22 ARG 11 2HH2 ARG 11 6.075 5.866 -12.646 71 H CYS 12 H CYS 12 1.267 1.975 -18.134 72 HA CYS 12 HA CYS 12 3.431 3.305 -19.536 73 HB2 CYS 12 2HB CYS 12 2.610 0.433 -19.176 74 HB3 CYS 12 3HB CYS 12 3.827 0.887 -20.365 75 H LEU 13 H LEU 13 0.608 1.315 -20.404 76 HA LEU 13 HA LEU 13 0.892 1.568 -23.188 77 HB2 LEU 13 2HB LEU 13 -1.027 0.385 -23.330 78 HB3 LEU 13 3HB LEU 13 -0.666 0.076 -21.633 79 HG LEU 13 HG LEU 13 -2.179 2.233 -21.308 80 HD11 LEU 13 1HD1 LEU 13 -3.231 2.916 -23.134 81 HD12 LEU 13 2HD1 LEU 13 -4.022 1.344 -23.244 82 HD13 LEU 13 3HD1 LEU 13 -2.494 1.622 -24.079 83 HD21 LEU 13 3HD2 LEU 13 -2.448 -0.240 -20.574 84 HD22 LEU 13 1HD2 LEU 13 -3.588 -0.333 -21.917 85 HD23 LEU 13 2HD2 LEU 13 -3.864 0.813 -20.605 86 H ALA 14 H ALA 14 -0.388 3.710 -20.789 87 HA ALA 14 HA ALA 14 -1.841 5.356 -22.659 88 HB1 ALA 14 1HB ALA 14 -2.314 6.779 -20.781 89 HB2 ALA 14 2HB ALA 14 -2.525 5.099 -20.288 90 HB3 ALA 14 3HB ALA 14 -1.075 5.982 -19.812 91 H GLN 15 H GLN 15 1.377 5.169 -21.427 92 HA GLN 15 HA GLN 15 2.024 7.878 -22.293 93 HB2 GLN 15 2HB GLN 15 3.151 5.973 -20.422 94 HB3 GLN 15 3HB GLN 15 4.382 6.603 -21.507 95 HG2 GLN 15 2HG GLN 15 3.519 8.910 -20.914 96 HG3 GLN 15 3HG GLN 15 2.614 8.124 -19.622 97 HE21 GLN 15 1HE2 GLN 15 3.617 7.676 -17.765 98 HE22 GLN 15 2HE2 GLN 15 5.308 7.881 -17.476 99 H ARG 16 H ARG 16 1.377 5.444 -24.051 100 HA ARG 16 HA ARG 16 1.990 4.686 -26.106 101 HB2 ARG 16 2HB ARG 16 4.084 6.858 -26.121 102 HB3 ARG 16 3HB ARG 16 3.329 6.081 -27.507 103 HG2 ARG 16 2HG ARG 16 1.868 7.811 -25.524 104 HG3 ARG 16 3HG ARG 16 2.509 8.375 -27.068 105 HD2 ARG 16 2HD ARG 16 1.121 6.467 -28.096 106 HD3 ARG 16 3HD ARG 16 0.281 6.437 -26.546 107 HE ARG 16 HE ARG 16 0.226 9.059 -27.317 108 HH11 ARG 16 1HH1 ARG 16 -0.804 6.043 -28.718 109 HH12 ARG 16 2HH1 ARG 16 -2.115 6.752 -29.602 110 HH21 ARG 16 1HH2 ARG 16 -1.496 10.004 -28.475 111 HH22 ARG 16 2HH2 ARG 16 -2.507 9.005 -29.464 112 H ARG 17 H ARG 17 2.956 3.176 -24.158 113 HA ARG 17 HA ARG 17 5.661 2.494 -25.089 114 HB2 ARG 17 2HB ARG 17 4.763 2.273 -22.213 115 HB3 ARG 17 3HB ARG 17 6.373 1.971 -22.851 116 HG2 ARG 17 2HG ARG 17 4.984 4.643 -22.819 117 HG3 ARG 17 3HG ARG 17 6.224 4.114 -21.681 118 HD2 ARG 17 2HD ARG 17 7.114 3.735 -24.389 119 HD3 ARG 17 3HD ARG 17 6.594 5.402 -24.142 120 HE ARG 17 HE ARG 17 8.161 4.914 -21.991 121 HH11 ARG 17 1HH1 ARG 17 8.616 4.540 -25.422 122 HH12 ARG 17 2HH1 ARG 17 10.324 4.819 -25.358 123 HH21 ARG 17 1HH2 ARG 17 10.410 5.283 -21.893 124 HH22 ARG 17 2HH2 ARG 17 11.344 5.241 -23.350 125 H LYS 18 H LYS 18 2.723 1.534 -25.378 126 HA LYS 18 HA LYS 18 1.593 -0.436 -25.568 127 HB2 LYS 18 2HB LYS 18 3.876 -0.696 -26.933 128 HB3 LYS 18 3HB LYS 18 4.137 -1.969 -25.747 129 HG2 LYS 18 2HG LYS 18 2.662 -3.331 -26.717 130 HG3 LYS 18 3HG LYS 18 1.483 -2.039 -26.952 131 HD2 LYS 18 2HD LYS 18 3.820 -1.759 -28.665 132 HD3 LYS 18 3HD LYS 18 2.959 -3.277 -28.929 133 HE2 LYS 18 2HE LYS 18 0.904 -2.100 -29.339 134 HE3 LYS 18 3HE LYS 18 1.643 -0.564 -28.890 135 HZ1 LYS 18 3HZ LYS 18 2.933 -2.036 -31.042 136 HZ2 LYS 18 1HZ LYS 18 2.667 -0.374 -30.873 137 HZ3 LYS 18 2HZ LYS 18 1.414 -1.382 -31.396 138 H GLY 19 H GLY 19 2.411 0.389 -22.878 139 HA2 GLY 19 2HA GLY 19 1.934 -0.527 -20.795 140 HA3 GLY 19 3HA GLY 19 1.835 -2.113 -21.545 141 H GLY 20 H GLY 20 3.014 -2.234 -19.246 142 HA2 GLY 20 2HA GLY 20 5.764 -2.843 -19.905 143 HA3 GLY 20 3HA GLY 20 5.575 -1.548 -18.731 144 H LYS 21 H LYS 21 6.522 -2.676 -17.048 145 HA LYS 21 HA LYS 21 4.766 -4.514 -15.681 146 HB2 LYS 21 2HB LYS 21 6.649 -6.195 -15.372 147 HB3 LYS 21 3HB LYS 21 5.874 -6.170 -16.951 148 HG2 LYS 21 2HG LYS 21 8.130 -4.371 -16.865 149 HG3 LYS 21 3HG LYS 21 8.592 -6.015 -16.418 150 HD2 LYS 21 2HD LYS 21 6.956 -5.382 -18.865 151 HD3 LYS 21 3HD LYS 21 8.720 -5.451 -18.882 152 HE2 LYS 21 2HE LYS 21 6.932 -7.705 -17.979 153 HE3 LYS 21 3HE LYS 21 7.611 -7.563 -19.600 154 HZ1 LYS 21 3HZ LYS 21 9.260 -8.777 -18.723 155 HZ2 LYS 21 1HZ LYS 21 8.884 -8.361 -17.127 156 HZ3 LYS 21 2HZ LYS 21 9.797 -7.306 -18.083 157 H CYS 22 H CYS 22 5.544 -5.019 -13.487 158 HA CYS 22 HA CYS 22 7.043 -2.746 -12.411 159 HB2 CYS 22 2HB CYS 22 4.759 -4.245 -11.537 160 HB3 CYS 22 3HB CYS 22 6.025 -4.362 -10.318 161 H LYS 23 H LYS 23 8.828 -2.981 -11.090 162 HA LYS 23 HA LYS 23 9.902 -5.689 -10.737 163 HB2 LYS 23 2HB LYS 23 10.995 -3.580 -12.417 164 HB3 LYS 23 3HB LYS 23 12.147 -4.112 -11.199 165 HG2 LYS 23 2HG LYS 23 12.677 -5.684 -12.692 166 HG3 LYS 23 3HG LYS 23 11.212 -6.489 -12.126 167 HD2 LYS 23 2HD LYS 23 9.974 -5.810 -13.966 168 HD3 LYS 23 3HD LYS 23 11.058 -4.464 -14.323 169 HE2 LYS 23 2HE LYS 23 12.648 -6.744 -14.525 170 HE3 LYS 23 3HE LYS 23 11.119 -7.190 -15.282 171 HZ1 LYS 23 3HZ LYS 23 13.156 -5.708 -16.401 172 HZ2 LYS 23 1HZ LYS 23 11.920 -4.594 -16.094 173 HZ3 LYS 23 2HZ LYS 23 11.611 -5.960 -17.042 174 H ASN 24 H ASN 24 9.418 -5.604 -8.542 175 HA ASN 24 HA ASN 24 9.678 -5.084 -6.339 176 HB2 ASN 24 2HB ASN 24 12.116 -5.608 -7.318 177 HB3 ASN 24 3HB ASN 24 12.381 -3.939 -6.820 178 HD21 ASN 24 1HD2 ASN 24 12.010 -7.179 -5.817 179 HD22 ASN 24 2HD2 ASN 24 12.188 -6.915 -4.119 180 H GLY 25 H GLY 25 8.391 -3.089 -7.843 181 HA2 GLY 25 2HA GLY 25 7.550 -1.045 -6.895 182 HA3 GLY 25 3HA GLY 25 9.161 -0.720 -6.272 183 H ASP 26 H ASP 26 10.476 -1.435 -8.785 184 HA ASP 26 HA ASP 26 10.301 1.131 -10.047 185 HB2 ASP 26 2HB ASP 26 11.947 -1.340 -10.498 186 HB3 ASP 26 3HB ASP 26 11.948 -0.044 -11.691 187 H CYS 27 H CYS 27 8.642 1.606 -11.330 188 HA CYS 27 HA CYS 27 7.256 -0.425 -12.837 189 HB2 CYS 27 2HB CYS 27 5.996 1.405 -11.816 190 HB3 CYS 27 3HB CYS 27 6.903 2.579 -12.764 191 H VAL 28 H VAL 28 8.431 -1.221 -14.497 192 HA VAL 28 HA VAL 28 9.918 0.572 -16.240 193 HB VAL 28 HB VAL 28 9.602 -2.420 -16.489 194 HG11 VAL 28 1HG1 VAL 28 11.805 -2.155 -17.700 195 HG12 VAL 28 2HG1 VAL 28 10.385 -1.517 -18.531 196 HG13 VAL 28 3HG1 VAL 28 11.492 -0.420 -17.705 197 HG21 VAL 28 3HG2 VAL 28 11.320 -0.766 -14.732 198 HG22 VAL 28 1HG2 VAL 28 10.665 -2.385 -14.483 199 HG23 VAL 28 2HG2 VAL 28 12.075 -2.154 -15.517 200 H CYS 29 H CYS 29 9.483 0.922 -18.399 201 HA CYS 29 HA CYS 29 6.907 -0.097 -19.399 202 HB2 CYS 29 2HB CYS 29 7.999 2.708 -19.475 203 HB3 CYS 29 3HB CYS 29 6.778 2.166 -20.622 204 H ARG 30 H ARG 30 7.106 -1.202 -21.222 205 HA ARG 30 HA ARG 30 9.588 -1.272 -22.654 206 HB2 ARG 30 2HB ARG 30 6.981 -2.500 -23.540 207 HB3 ARG 30 3HB ARG 30 8.612 -3.008 -23.956 208 HG2 ARG 30 2HG ARG 30 8.680 -3.244 -21.261 209 HG3 ARG 30 3HG ARG 30 6.987 -3.617 -21.592 210 HD2 ARG 30 2HD ARG 30 7.483 -5.558 -22.627 211 HD3 ARG 30 3HD ARG 30 8.934 -4.901 -23.384 212 HE ARG 30 HE ARG 30 8.804 -6.408 -20.979 213 HH11 ARG 30 1HH1 ARG 30 10.512 -3.801 -22.530 214 HH12 ARG 30 2HH1 ARG 30 11.972 -4.048 -21.630 215 HH21 ARG 30 1HH2 ARG 30 10.720 -6.744 -19.788 216 HH22 ARG 30 2HH2 ARG 30 12.090 -5.723 -20.071 Start of MODEL 20 1 H1 PHE 1 H PHE 1 0.978 0.670 0.245 2 HA PHE 1 HA PHE 1 1.520 1.417 -1.952 3 HB2 PHE 1 2HB PHE 1 4.043 1.837 -0.613 4 HB3 PHE 1 3HB PHE 1 4.294 1.005 -2.144 5 HD1 PHE 1 HD1 PHE 1 2.585 2.069 -4.044 6 HD2 PHE 1 HD2 PHE 1 4.354 4.095 -0.745 7 HE1 PHE 1 HE1 PHE 1 2.366 4.207 -5.244 8 HE2 PHE 1 HE2 PHE 1 4.137 6.235 -1.938 9 HZ PHE 1 HZ PHE 1 3.141 6.293 -4.190 10 H SER 2 H SER 2 1.931 0.108 -3.782 11 HA SER 2 HA SER 2 3.133 -2.476 -3.540 12 HB2 SER 2 2HB SER 2 0.169 -2.190 -3.354 13 HB3 SER 2 3HB SER 2 0.812 -3.536 -4.295 14 HG SER 2 HG SER 2 0.692 -3.222 -1.610 15 H CYS 3 H CYS 3 3.984 -2.931 -5.455 16 HA CYS 3 HA CYS 3 3.291 -1.373 -7.768 17 HB2 CYS 3 2HB CYS 3 5.622 -1.970 -7.333 18 HB3 CYS 3 3HB CYS 3 5.220 -3.681 -7.442 19 H ASP 4 H ASP 4 1.113 -1.997 -8.127 20 HA ASP 4 HA ASP 4 0.439 -4.733 -8.674 21 HB2 ASP 4 2HB ASP 4 -0.973 -2.307 -8.209 22 HB3 ASP 4 3HB ASP 4 -1.502 -2.944 -9.765 23 H HIS 5 H HIS 5 0.609 -5.791 -10.538 24 HA HIS 5 HA HIS 5 1.960 -4.812 -12.753 25 HB2 HIS 5 2HB HIS 5 1.197 -7.262 -12.012 26 HB3 HIS 5 3HB HIS 5 -0.064 -6.949 -13.201 27 HD1 HIS 5 HD1 HIS 5 2.869 -8.708 -13.111 28 HD2 HIS 5 HD2 HIS 5 1.543 -5.686 -15.636 29 HE1 HIS 5 HE1 HIS 5 4.229 -8.943 -15.214 30 H SER 6 H SER 6 -1.450 -4.718 -11.984 31 HA SER 6 HA SER 6 -2.383 -4.023 -14.569 32 HB2 SER 6 2HB SER 6 -3.519 -4.479 -12.001 33 HB3 SER 6 3HB SER 6 -4.082 -2.904 -12.559 34 HG SER 6 HG SER 6 -4.795 -5.369 -13.399 35 H ALA 7 H ALA 7 -1.844 -2.027 -11.663 36 HA ALA 7 HA ALA 7 -2.411 0.452 -12.734 37 HB1 ALA 7 1HB ALA 7 -0.304 0.957 -11.018 38 HB2 ALA 7 2HB ALA 7 -2.011 0.868 -10.582 39 HB3 ALA 7 3HB ALA 7 -0.984 -0.556 -10.419 40 H CYS 8 H CYS 8 0.664 -1.315 -12.788 41 HA CYS 8 HA CYS 8 2.130 0.731 -14.099 42 HB2 CYS 8 2HB CYS 8 2.610 -2.232 -13.780 43 HB3 CYS 8 3HB CYS 8 3.746 -1.162 -14.595 44 H ALA 9 H ALA 9 0.558 -2.234 -15.262 45 HA ALA 9 HA ALA 9 1.279 -2.149 -17.922 46 HB1 ALA 9 1HB ALA 9 -0.839 -3.367 -18.367 47 HB2 ALA 9 2HB ALA 9 0.091 -4.032 -17.024 48 HB3 ALA 9 3HB ALA 9 -1.331 -3.039 -16.705 49 H VAL 10 H VAL 10 -1.516 -0.574 -16.383 50 HA VAL 10 HA VAL 10 -2.442 0.660 -18.770 51 HB VAL 10 HB VAL 10 -2.988 1.497 -15.919 52 HG11 VAL 10 1HG1 VAL 10 -3.565 3.155 -17.670 53 HG12 VAL 10 2HG1 VAL 10 -4.619 1.951 -18.414 54 HG13 VAL 10 3HG1 VAL 10 -4.969 2.549 -16.791 55 HG21 VAL 10 3HG2 VAL 10 -3.851 -0.819 -17.459 56 HG22 VAL 10 1HG2 VAL 10 -3.973 -0.499 -15.729 57 HG23 VAL 10 2HG2 VAL 10 -5.197 0.132 -16.830 58 H ARG 11 H ARG 11 -0.588 1.871 -15.986 59 HA ARG 11 HA ARG 11 -0.318 4.516 -16.847 60 HB2 ARG 11 2HB ARG 11 0.283 3.441 -14.575 61 HB3 ARG 11 3HB ARG 11 1.835 3.079 -15.318 62 HG2 ARG 11 2HG ARG 11 2.502 5.245 -15.312 63 HG3 ARG 11 3HG ARG 11 0.863 5.866 -15.518 64 HD2 ARG 11 2HD ARG 11 1.160 4.493 -12.993 65 HD3 ARG 11 3HD ARG 11 2.350 5.783 -13.163 66 HE ARG 11 HE ARG 11 -0.500 6.074 -12.863 67 HH11 ARG 11 1HH1 ARG 11 2.448 7.567 -13.959 68 HH12 ARG 11 2HH1 ARG 11 1.839 9.182 -13.810 69 HH21 ARG 11 1HH2 ARG 11 -1.313 8.195 -12.662 70 HH22 ARG 11 2HH2 ARG 11 -0.300 9.538 -13.071 71 H CYS 12 H CYS 12 1.183 1.631 -17.962 72 HA CYS 12 HA CYS 12 3.404 3.004 -19.227 73 HB2 CYS 12 2HB CYS 12 2.516 0.133 -19.080 74 HB3 CYS 12 3HB CYS 12 3.767 0.639 -20.212 75 H LEU 13 H LEU 13 0.559 1.142 -20.283 76 HA LEU 13 HA LEU 13 0.906 1.576 -23.037 77 HB2 LEU 13 2HB LEU 13 -1.034 0.449 -23.297 78 HB3 LEU 13 3HB LEU 13 -0.715 0.017 -21.619 79 HG LEU 13 HG LEU 13 -2.188 2.181 -21.176 80 HD11 LEU 13 1HD1 LEU 13 -4.010 1.471 -23.202 81 HD12 LEU 13 2HD1 LEU 13 -2.460 1.765 -23.989 82 HD13 LEU 13 3HD1 LEU 13 -3.184 3.012 -22.973 83 HD21 LEU 13 3HD2 LEU 13 -3.862 0.750 -20.541 84 HD22 LEU 13 1HD2 LEU 13 -2.514 -0.378 -20.686 85 HD23 LEU 13 2HD2 LEU 13 -3.703 -0.254 -21.983 86 H ALA 14 H ALA 14 -0.378 3.579 -20.523 87 HA ALA 14 HA ALA 14 -1.757 5.381 -22.304 88 HB1 ALA 14 1HB ALA 14 -1.024 5.934 -19.443 89 HB2 ALA 14 2HB ALA 14 -2.355 6.607 -20.384 90 HB3 ALA 14 3HB ALA 14 -2.390 4.913 -19.892 91 H GLN 15 H GLN 15 1.430 5.038 -21.025 92 HA GLN 15 HA GLN 15 2.153 7.784 -21.692 93 HB2 GLN 15 2HB GLN 15 3.199 5.731 -19.934 94 HB3 GLN 15 3HB GLN 15 4.466 6.407 -20.949 95 HG2 GLN 15 2HG GLN 15 3.641 8.687 -20.216 96 HG3 GLN 15 3HG GLN 15 2.690 7.835 -19.000 97 HE21 GLN 15 1HE2 GLN 15 4.035 6.180 -17.736 98 HE22 GLN 15 2HE2 GLN 15 5.571 6.737 -17.175 99 H ARG 16 H ARG 16 1.492 5.490 -23.624 100 HA ARG 16 HA ARG 16 2.131 4.859 -25.714 101 HB2 ARG 16 2HB ARG 16 4.267 6.984 -25.535 102 HB3 ARG 16 3HB ARG 16 3.535 6.315 -26.988 103 HG2 ARG 16 2HG ARG 16 2.133 8.012 -24.933 104 HG3 ARG 16 3HG ARG 16 2.703 8.552 -26.514 105 HD2 ARG 16 2HD ARG 16 1.224 6.575 -27.383 106 HD3 ARG 16 3HD ARG 16 0.421 6.756 -25.825 107 HE ARG 16 HE ARG 16 0.520 9.286 -26.856 108 HH11 ARG 16 1HH1 ARG 16 -0.738 6.222 -27.927 109 HH12 ARG 16 2HH1 ARG 16 -2.021 6.926 -28.856 110 HH21 ARG 16 1HH2 ARG 16 -1.164 10.225 -28.075 111 HH22 ARG 16 2HH2 ARG 16 -2.261 9.203 -28.940 112 H ARG 17 H ARG 17 3.024 3.199 -23.855 113 HA ARG 17 HA ARG 17 5.732 2.522 -24.777 114 HB2 ARG 17 2HB ARG 17 4.789 2.079 -21.945 115 HB3 ARG 17 3HB ARG 17 6.415 1.872 -22.582 116 HG2 ARG 17 2HG ARG 17 4.978 4.511 -22.404 117 HG3 ARG 17 3HG ARG 17 6.133 3.910 -21.212 118 HD2 ARG 17 2HD ARG 17 6.896 4.078 -24.099 119 HD3 ARG 17 3HD ARG 17 6.933 5.522 -23.089 120 HE ARG 17 HE ARG 17 8.797 3.364 -23.062 121 HH11 ARG 17 1HH1 ARG 17 7.281 5.786 -21.073 122 HH12 ARG 17 2HH1 ARG 17 8.583 5.850 -19.931 123 HH21 ARG 17 1HH2 ARG 17 10.518 3.440 -21.567 124 HH22 ARG 17 2HH2 ARG 17 10.424 4.516 -20.214 125 H LYS 18 H LYS 18 2.782 1.649 -25.189 126 HA LYS 18 HA LYS 18 1.614 -0.277 -25.534 127 HB2 LYS 18 2HB LYS 18 3.947 -0.497 -26.848 128 HB3 LYS 18 3HB LYS 18 4.105 -1.877 -25.768 129 HG2 LYS 18 2HG LYS 18 2.274 -2.968 -26.687 130 HG3 LYS 18 3HG LYS 18 1.623 -1.486 -27.393 131 HD2 LYS 18 2HD LYS 18 4.282 -2.102 -28.384 132 HD3 LYS 18 3HD LYS 18 3.135 -3.406 -28.696 133 HE2 LYS 18 2HE LYS 18 1.573 -1.594 -29.577 134 HE3 LYS 18 3HE LYS 18 2.980 -0.531 -29.559 135 HZ1 LYS 18 3HZ LYS 18 2.302 -2.643 -31.391 136 HZ2 LYS 18 1HZ LYS 18 3.900 -2.725 -30.839 137 HZ3 LYS 18 2HZ LYS 18 3.339 -1.322 -31.599 138 H GLY 19 H GLY 19 2.393 0.345 -22.779 139 HA2 GLY 19 2HA GLY 19 1.853 -0.699 -20.773 140 HA3 GLY 19 3HA GLY 19 1.736 -2.228 -21.632 141 H GLY 20 H GLY 20 2.867 -2.504 -19.309 142 HA2 GLY 20 2HA GLY 20 5.626 -3.112 -19.962 143 HA3 GLY 20 3HA GLY 20 5.415 -1.927 -18.681 144 H LYS 21 H LYS 21 6.302 -3.210 -17.079 145 HA LYS 21 HA LYS 21 4.492 -5.108 -15.897 146 HB2 LYS 21 2HB LYS 21 6.225 -6.926 -15.777 147 HB3 LYS 21 3HB LYS 21 5.552 -6.651 -17.378 148 HG2 LYS 21 2HG LYS 21 7.948 -5.078 -16.862 149 HG3 LYS 21 3HG LYS 21 8.216 -6.820 -16.759 150 HD2 LYS 21 2HD LYS 21 6.636 -5.790 -19.055 151 HD3 LYS 21 3HD LYS 21 8.377 -5.504 -19.058 152 HE2 LYS 21 2HE LYS 21 8.354 -7.531 -20.088 153 HE3 LYS 21 3HE LYS 21 8.411 -8.080 -18.413 154 HZ1 LYS 21 3HZ LYS 21 6.720 -9.222 -19.779 155 HZ2 LYS 21 1HZ LYS 21 5.907 -7.751 -19.974 156 HZ3 LYS 21 2HZ LYS 21 6.062 -8.434 -18.435 157 H CYS 22 H CYS 22 5.293 -5.883 -13.775 158 HA CYS 22 HA CYS 22 6.850 -3.766 -12.488 159 HB2 CYS 22 2HB CYS 22 4.675 -5.561 -11.666 160 HB3 CYS 22 3HB CYS 22 5.945 -5.381 -10.460 161 H LYS 23 H LYS 23 8.703 -4.134 -11.339 162 HA LYS 23 HA LYS 23 9.743 -6.882 -11.274 163 HB2 LYS 23 2HB LYS 23 10.861 -4.550 -12.668 164 HB3 LYS 23 3HB LYS 23 12.014 -5.391 -11.640 165 HG2 LYS 23 2HG LYS 23 11.573 -7.473 -12.805 166 HG3 LYS 23 3HG LYS 23 10.357 -6.674 -13.804 167 HD2 LYS 23 2HD LYS 23 11.902 -5.730 -15.142 168 HD3 LYS 23 3HD LYS 23 12.990 -5.372 -13.798 169 HE2 LYS 23 2HE LYS 23 12.892 -8.191 -14.127 170 HE3 LYS 23 3HE LYS 23 13.153 -7.469 -15.713 171 HZ1 LYS 23 3HZ LYS 23 14.971 -6.142 -14.633 172 HZ2 LYS 23 1HZ LYS 23 15.268 -7.803 -14.767 173 HZ3 LYS 23 2HZ LYS 23 14.809 -7.143 -13.279 174 H ASN 24 H ASN 24 9.430 -7.109 -9.086 175 HA ASN 24 HA ASN 24 9.783 -6.862 -6.849 176 HB2 ASN 24 2HB ASN 24 12.180 -7.138 -7.958 177 HB3 ASN 24 3HB ASN 24 12.387 -5.495 -7.358 178 HD21 ASN 24 1HD2 ASN 24 11.935 -8.826 -6.504 179 HD22 ASN 24 2HD2 ASN 24 12.327 -8.662 -4.830 180 H GLY 25 H GLY 25 8.450 -4.676 -8.237 181 HA2 GLY 25 2HA GLY 25 7.477 -2.855 -6.943 182 HA3 GLY 25 3HA GLY 25 9.087 -2.522 -6.321 183 H ASP 26 H ASP 26 10.414 -2.792 -8.876 184 HA ASP 26 HA ASP 26 9.997 -0.121 -9.831 185 HB2 ASP 26 2HB ASP 26 11.865 -2.354 -10.589 186 HB3 ASP 26 3HB ASP 26 11.767 -0.885 -11.555 187 H CYS 27 H CYS 27 8.341 0.362 -11.109 188 HA CYS 27 HA CYS 27 7.127 -1.608 -12.829 189 HB2 CYS 27 2HB CYS 27 6.520 1.186 -12.002 190 HB3 CYS 27 3HB CYS 27 5.848 0.630 -13.532 191 H VAL 28 H VAL 28 8.421 -2.152 -14.513 192 HA VAL 28 HA VAL 28 9.795 -0.108 -16.048 193 HB VAL 28 HB VAL 28 9.640 -3.067 -16.625 194 HG11 VAL 28 1HG1 VAL 28 10.555 -2.270 -18.535 195 HG12 VAL 28 2HG1 VAL 28 11.111 -0.777 -17.775 196 HG13 VAL 28 3HG1 VAL 28 12.024 -2.271 -17.560 197 HG21 VAL 28 3HG2 VAL 28 10.561 -2.972 -14.472 198 HG22 VAL 28 1HG2 VAL 28 11.959 -3.040 -15.546 199 HG23 VAL 28 2HG2 VAL 28 11.471 -1.504 -14.829 200 H CYS 29 H CYS 29 9.364 0.456 -18.160 201 HA CYS 29 HA CYS 29 6.813 -0.524 -19.264 202 HB2 CYS 29 2HB CYS 29 7.948 2.266 -19.193 203 HB3 CYS 29 3HB CYS 29 6.706 1.801 -20.351 204 H ARG 30 H ARG 30 6.989 -1.505 -21.161 205 HA ARG 30 HA ARG 30 9.049 -0.643 -23.050 206 HB2 ARG 30 2HB ARG 30 8.743 -3.406 -21.912 207 HB3 ARG 30 3HB ARG 30 9.410 -3.170 -23.522 208 HG2 ARG 30 2HG ARG 30 10.540 -1.688 -21.186 209 HG3 ARG 30 3HG ARG 30 11.008 -3.359 -21.508 210 HD2 ARG 30 2HD ARG 30 12.439 -2.671 -23.059 211 HD3 ARG 30 3HD ARG 30 11.121 -1.912 -23.952 212 HE ARG 30 HE ARG 30 12.029 -0.310 -21.766 213 HH11 ARG 30 1HH1 ARG 30 12.682 -1.214 -25.064 214 HH12 ARG 30 2HH1 ARG 30 13.527 0.251 -25.436 215 HH21 ARG 30 1HH2 ARG 30 13.140 1.624 -22.243 216 HH22 ARG 30 2HH2 ARG 30 13.788 1.865 -23.831
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