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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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650823 |
6kha ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -22.889 26.050 -13.049 2 H2 GLY 1 H2 GLY 1 -22.082 24.661 -12.690 3 H3 GLY 1 H3 GLY 1 -21.475 26.121 -12.243 4 HA2 GLY 1 HA2 GLY 1 -22.452 24.943 -10.316 5 HA3 GLY 1 HA3 GLY 1 -23.227 26.480 -10.665 6 H ILE 2 H ILE 2 -24.238 24.051 -9.341 7 HA ILE 2 HA ILE 2 -25.746 22.512 -11.146 8 HB ILE 2 HB ILE 2 -24.287 21.891 -9.371 9 HG12 ILE 2 HG12 ILE 2 -26.849 20.612 -8.473 10 HG13 ILE 2 HG13 ILE 2 -26.314 20.416 -10.172 11 HG21 ILE 2 HG21 ILE 2 -26.395 22.916 -7.414 12 HG22 ILE 2 HG22 ILE 2 -24.965 21.927 -6.974 13 HG23 ILE 2 HG23 ILE 2 -24.737 23.543 -7.669 14 HD11 ILE 2 HD11 ILE 2 -24.110 19.671 -9.496 15 HD12 ILE 2 HD12 ILE 2 -24.393 20.049 -7.858 16 HD13 ILE 2 HD13 ILE 2 -25.284 18.654 -8.580 17 H VAL 3 H VAL 3 -26.758 24.747 -11.354 18 HA VAL 3 HA VAL 3 -29.395 25.026 -10.021 19 HB VAL 3 HB VAL 3 -27.960 26.563 -12.127 20 HG11 VAL 3 HG11 VAL 3 -30.412 26.853 -12.574 21 HG12 VAL 3 HG12 VAL 3 -30.723 27.193 -10.868 22 HG13 VAL 3 HG13 VAL 3 -29.793 28.331 -11.848 23 HG21 VAL 3 HG21 VAL 3 -27.101 26.852 -9.850 24 HG22 VAL 3 HG22 VAL 3 -27.879 28.365 -10.375 25 HG23 VAL 3 HG23 VAL 3 -28.700 27.278 -9.235 26 H GLU 4 H GLU 4 -28.047 24.482 -12.982 27 HA GLU 4 HA GLU 4 -30.385 23.679 -14.424 28 HB2 GLU 4 HB2 GLU 4 -28.919 24.571 -16.289 29 HB3 GLU 4 HB3 GLU 4 -29.024 25.719 -14.921 30 HG2 GLU 4 HG2 GLU 4 -26.791 24.970 -14.090 31 HG3 GLU 4 HG3 GLU 4 -26.675 23.935 -15.551 32 HE2 GLU 4 HE2 GLU 4 -24.763 26.749 -16.432 33 H GLN 5 H GLN 5 -27.335 22.547 -13.694 34 HA GLN 5 HA GLN 5 -26.703 20.572 -15.437 35 HB2 GLN 5 HB2 GLN 5 -26.436 20.717 -12.426 36 HB3 GLN 5 HB3 GLN 5 -25.464 19.627 -13.450 37 HG2 GLN 5 HG2 GLN 5 -25.426 22.682 -13.488 38 HG3 GLN 5 HG3 GLN 5 -24.198 21.673 -12.778 39 HE21 GLN 5 HE21 GLN 5 -23.341 22.724 -16.385 40 HE22 GLN 5 HE22 GLN 5 -24.026 23.677 -15.058 41 H CYS 6 H CYS 6 -28.639 20.220 -12.505 42 HA CYS 6 HA CYS 6 -29.696 17.564 -13.043 43 HB2 CYS 6 HB2 CYS 6 -30.277 19.814 -11.124 44 HB3 CYS 6 HB3 CYS 6 -31.033 18.231 -10.983 45 H CYS 7 H CYS 7 -30.804 20.892 -13.567 46 HA CYS 7 HA CYS 7 -33.619 20.480 -13.789 47 HB2 CYS 7 HB2 CYS 7 -32.176 22.578 -13.559 48 HB3 CYS 7 HB3 CYS 7 -31.816 22.394 -15.243 49 H ALA 8 H ALA 8 -31.026 19.856 -16.044 50 HA ALA 8 HA ALA 8 -32.567 18.936 -18.361 51 HB1 ALA 8 HB1 ALA 8 -29.763 18.551 -17.355 52 HB2 ALA 8 HB2 ALA 8 -30.373 18.143 -18.996 53 HB3 ALA 8 HB3 ALA 8 -30.290 19.840 -18.429 54 H SER 9 H SER 9 -30.864 16.398 -18.216 55 HA SER 9 HA SER 9 -32.620 14.506 -16.928 56 HB2 SER 9 HB2 SER 9 -29.756 14.244 -17.854 57 HB3 SER 9 HB3 SER 9 -30.952 12.943 -17.705 58 HG SER 9 HG SER 9 -30.586 13.631 -19.851 59 H VAL 10 H VAL 10 -31.539 12.853 -15.650 60 HA VAL 10 HA VAL 10 -31.510 13.747 -13.079 61 HB VAL 10 HB VAL 10 -32.406 11.657 -14.033 62 HG11 VAL 10 HG11 VAL 10 -29.606 10.488 -13.913 63 HG12 VAL 10 HG12 VAL 10 -31.108 9.652 -14.284 64 HG13 VAL 10 HG13 VAL 10 -30.532 10.887 -15.396 65 HG21 VAL 10 HG21 VAL 10 -30.643 11.086 -11.647 66 HG22 VAL 10 HG22 VAL 10 -32.178 11.995 -11.618 67 HG23 VAL 10 HG23 VAL 10 -32.144 10.296 -12.133 68 H CYS 11 H CYS 11 -30.015 13.633 -11.332 69 HA CYS 11 HA CYS 11 -27.127 13.665 -12.104 70 HB2 CYS 11 HB2 CYS 11 -26.843 15.776 -11.026 71 HB3 CYS 11 HB3 CYS 11 -28.104 15.918 -12.251 72 H SER 12 H SER 12 -25.581 13.167 -10.628 73 HA SER 12 HA SER 12 -26.306 11.621 -8.354 74 HB2 SER 12 HB2 SER 12 -23.650 12.441 -9.324 75 HB3 SER 12 HB3 SER 12 -24.084 10.919 -8.575 76 HG SER 12 HG SER 12 -23.640 10.688 -10.842 77 H LEU 13 H LEU 13 -24.662 11.769 -6.726 78 HA LEU 13 HA LEU 13 -25.230 14.122 -5.031 79 HB2 LEU 13 HB2 LEU 13 -23.636 11.539 -4.728 80 HB3 LEU 13 HB3 LEU 13 -24.218 12.501 -3.363 81 HG LEU 13 HG LEU 13 -25.964 11.093 -3.238 82 HD11 LEU 13 HD11 LEU 13 -26.901 11.836 -6.032 83 HD12 LEU 13 HD12 LEU 13 -27.816 11.056 -4.785 84 HD13 LEU 13 HD13 LEU 13 -27.291 12.722 -4.540 85 HD21 LEU 13 HD21 LEU 13 -24.591 9.436 -4.399 86 HD22 LEU 13 HD22 LEU 13 -26.292 9.185 -4.720 87 HD23 LEU 13 HD23 LEU 13 -25.255 9.946 -5.969 88 H TYR 14 H TYR 14 -22.349 12.563 -6.411 89 HA TYR 14 HA TYR 14 -20.472 14.371 -5.461 90 HB2 TYR 14 HB2 TYR 14 -20.868 12.922 -8.146 91 HB3 TYR 14 HB3 TYR 14 -19.291 13.288 -7.334 92 HD1 TYR 14 HD1 TYR 14 -19.061 12.518 -5.017 93 HD2 TYR 14 HD2 TYR 14 -21.664 10.821 -7.941 94 HE1 TYR 14 HE1 TYR 14 -19.359 10.509 -3.540 95 HE2 TYR 14 HE2 TYR 14 -22.217 8.997 -6.415 96 HH TYR 14 HH TYR 14 -20.558 8.568 -3.221 97 H GLN 15 H GLN 15 -22.631 14.779 -7.923 98 HA GLN 15 HA GLN 15 -21.516 17.233 -9.120 99 HB2 GLN 15 HB2 GLN 15 -24.318 16.211 -8.860 100 HB3 GLN 15 HB3 GLN 15 -23.811 17.437 -10.043 101 HG2 GLN 15 HG2 GLN 15 -23.193 14.508 -9.916 102 HG3 GLN 15 HG3 GLN 15 -24.184 15.298 -11.152 103 HE21 GLN 15 HE21 GLN 15 -21.356 16.433 -13.069 104 HE22 GLN 15 HE22 GLN 15 -23.041 16.805 -12.727 105 H LEU 16 H LEU 16 -23.994 16.438 -6.727 106 HA LEU 16 HA LEU 16 -24.545 19.077 -5.858 107 HB2 LEU 16 HB2 LEU 16 -25.067 16.270 -4.848 108 HB3 LEU 16 HB3 LEU 16 -25.780 17.612 -4.100 109 HG LEU 16 HG LEU 16 -26.049 17.032 -7.081 110 HD11 LEU 16 HD11 LEU 16 -27.964 16.296 -4.871 111 HD12 LEU 16 HD12 LEU 16 -28.199 16.147 -6.640 112 HD13 LEU 16 HD13 LEU 16 -26.924 15.196 -5.860 113 HD21 LEU 16 HD21 LEU 16 -26.546 19.353 -6.519 114 HD22 LEU 16 HD22 LEU 16 -28.018 18.463 -6.936 115 HD23 LEU 16 HD23 LEU 16 -27.677 18.802 -5.241 116 H GLU 17 H GLU 17 -22.369 16.762 -4.504 117 HA GLU 17 HA GLU 17 -21.500 17.917 -2.056 118 HB2 GLU 17 HB2 GLU 17 -20.269 16.255 -4.266 119 HB3 GLU 17 HB3 GLU 17 -19.354 16.574 -2.790 120 HG2 GLU 17 HG2 GLU 17 -22.176 15.569 -2.655 121 HG3 GLU 17 HG3 GLU 17 -20.859 14.428 -2.990 122 HE2 GLU 17 HE2 GLU 17 -21.349 14.176 0.511 123 H ASN 18 H ASN 18 -20.628 18.482 -5.334 124 HA ASN 18 HA ASN 18 -18.055 19.451 -5.404 125 HB2 ASN 18 HB2 ASN 18 -19.751 18.919 -7.213 126 HB3 ASN 18 HB3 ASN 18 -20.447 20.366 -6.884 127 HD21 ASN 18 HD21 ASN 18 -18.503 20.920 -9.783 128 HD22 ASN 18 HD22 ASN 18 -19.977 20.203 -9.057 129 H TYR 19 H TYR 19 -20.952 21.367 -5.246 130 HA TYR 19 HA TYR 19 -20.007 23.938 -4.895 131 HB2 TYR 19 HB2 TYR 19 -22.584 22.392 -4.471 132 HB3 TYR 19 HB3 TYR 19 -22.503 24.166 -4.434 133 HD1 TYR 19 HD1 TYR 19 -21.049 25.149 -6.392 134 HD2 TYR 19 HD2 TYR 19 -22.858 21.233 -6.400 135 HE1 TYR 19 HE1 TYR 19 -20.369 24.830 -8.723 136 HE2 TYR 19 HE2 TYR 19 -22.373 20.985 -8.681 137 HH TYR 19 HH TYR 19 -20.427 23.368 -10.604 138 H CYS 20 H CYS 20 -21.375 21.766 -2.680 139 HA CYS 20 HA CYS 20 -21.894 23.054 -0.286 140 HB2 CYS 20 HB2 CYS 20 -22.301 20.711 -0.914 141 HB3 CYS 20 HB3 CYS 20 -20.588 20.391 -0.796 142 H ASN 21 H ASN 21 -20.807 23.595 1.609 143 HA ASN 21 HA ASN 21 -18.340 24.855 1.440 144 HB2 ASN 21 HB2 ASN 21 -20.367 25.428 2.747 145 HB3 ASN 21 HB3 ASN 21 -20.192 23.985 3.726 146 HD21 ASN 21 HD21 ASN 21 -17.510 27.073 4.373 147 HD22 ASN 21 HD22 ASN 21 -18.096 26.779 2.743 148 H1 PHE 1 H1 PHE 1 -30.332 7.137 -6.263 149 H2 PHE 1 H2 PHE 1 -31.533 6.193 -5.593 150 H3 PHE 1 H3 PHE 1 -30.005 5.657 -5.669 151 HA PHE 1 HA PHE 1 -30.442 6.275 -3.432 152 HB2 PHE 1 HB2 PHE 1 -28.163 6.548 -4.425 153 HB3 PHE 1 HB3 PHE 1 -28.508 8.256 -4.734 154 HD1 PHE 1 HD1 PHE 1 -27.805 9.774 -3.056 155 HD2 PHE 1 HD2 PHE 1 -28.933 5.743 -2.050 156 HE1 PHE 1 HE1 PHE 1 -27.338 10.219 -0.668 157 HE2 PHE 1 HE2 PHE 1 -28.553 6.187 0.290 158 HZ PHE 1 HZ PHE 1 -27.632 8.431 1.046 159 H VAL 2 H VAL 2 -29.779 9.504 -4.264 160 HA VAL 2 HA VAL 2 -32.344 10.505 -3.207 161 HB VAL 2 HB VAL 2 -29.494 11.438 -3.553 162 HG11 VAL 2 HG11 VAL 2 -31.776 13.332 -2.761 163 HG12 VAL 2 HG12 VAL 2 -30.042 13.709 -2.632 164 HG13 VAL 2 HG13 VAL 2 -30.771 13.478 -4.218 165 HG21 VAL 2 HG21 VAL 2 -29.569 11.769 -1.141 166 HG22 VAL 2 HG22 VAL 2 -31.351 11.586 -1.100 167 HG23 VAL 2 HG23 VAL 2 -30.316 10.207 -1.492 168 H ASN 3 H ASN 3 -30.305 10.656 -5.962 169 HA ASN 3 HA ASN 3 -30.609 12.367 -7.687 170 HB2 ASN 3 HB2 ASN 3 -31.587 9.668 -8.635 171 HB3 ASN 3 HB3 ASN 3 -30.443 10.870 -9.346 172 HD21 ASN 3 HD21 ASN 3 -28.756 11.385 -7.737 173 HD22 ASN 3 HD22 ASN 3 -27.989 10.000 -6.901 174 H GLN 4 H GLN 4 -31.770 13.592 -8.804 175 HA GLN 4 HA GLN 4 -34.566 13.233 -9.524 176 HB2 GLN 4 HB2 GLN 4 -35.309 15.190 -8.315 177 HB3 GLN 4 HB3 GLN 4 -34.518 14.070 -7.228 178 HG2 GLN 4 HG2 GLN 4 -32.883 16.301 -8.371 179 HG3 GLN 4 HG3 GLN 4 -34.087 16.667 -7.134 180 HE21 GLN 4 HE21 GLN 4 -30.684 14.802 -5.922 181 HE22 GLN 4 HE22 GLN 4 -30.838 15.440 -7.540 182 H HIS 5 H HIS 5 -35.239 15.311 -10.090 183 HA HIS 5 HA HIS 5 -34.286 15.582 -12.845 184 HB2 HIS 5 HB2 HIS 5 -36.948 15.747 -11.378 185 HB3 HIS 5 HB3 HIS 5 -36.808 15.672 -13.163 186 HD2 HIS 5 HD2 HIS 5 -37.583 13.543 -10.394 187 HE1 HIS 5 HE1 HIS 5 -34.354 11.556 -12.075 188 HE2 HIS 5 HE2 HIS 5 -36.204 11.266 -10.424 189 H LEU 6 H LEU 6 -35.563 17.450 -10.294 190 HA LEU 6 HA LEU 6 -36.358 19.682 -11.759 191 HB2 LEU 6 HB2 LEU 6 -36.817 18.721 -9.160 192 HB3 LEU 6 HB3 LEU 6 -36.010 20.270 -8.899 193 HG LEU 6 HG LEU 6 -38.741 19.761 -9.323 194 HD11 LEU 6 HD11 LEU 6 -37.811 21.460 -7.861 195 HD12 LEU 6 HD12 LEU 6 -37.290 22.472 -9.268 196 HD13 LEU 6 HD13 LEU 6 -39.036 22.133 -8.967 197 HD21 LEU 6 HD21 LEU 6 -38.618 19.892 -11.739 198 HD22 LEU 6 HD22 LEU 6 -39.456 21.300 -11.064 199 HD23 LEU 6 HD23 LEU 6 -37.779 21.480 -11.625 200 H CYS 7 H CYS 7 -35.943 21.881 -10.656 201 HA CYS 7 HA CYS 7 -33.247 22.734 -11.583 202 HB2 CYS 7 HB2 CYS 7 -36.081 23.854 -11.626 203 HB3 CYS 7 HB3 CYS 7 -34.699 24.666 -12.351 204 H GLY 8 H GLY 8 -32.415 24.813 -10.723 205 HA2 GLY 8 HA2 GLY 8 -32.255 26.673 -9.221 206 HA3 GLY 8 HA3 GLY 8 -33.894 26.335 -8.846 207 H SER 9 H SER 9 -33.860 26.663 -6.890 208 HA SER 9 HA SER 9 -32.004 25.601 -4.851 209 HB2 SER 9 HB2 SER 9 -34.522 27.286 -4.811 210 HB3 SER 9 HB3 SER 9 -33.538 27.015 -3.363 211 HG SER 9 HG SER 9 -32.911 29.014 -4.136 212 H HIS 10 H HIS 10 -33.952 23.984 -6.381 213 HA HIS 10 HA HIS 10 -34.538 22.188 -4.101 214 HB2 HIS 10 HB2 HIS 10 -35.775 22.684 -6.474 215 HB3 HIS 10 HB3 HIS 10 -34.403 21.804 -7.133 216 HD2 HIS 10 HD2 HIS 10 -36.602 21.234 -4.036 217 HE1 HIS 10 HE1 HIS 10 -36.442 17.382 -5.913 218 HE2 HIS 10 HE2 HIS 10 -37.315 18.634 -3.908 219 H LEU 11 H LEU 11 -32.212 22.593 -6.496 220 HA LEU 11 HA LEU 11 -30.727 20.389 -5.247 221 HB2 LEU 11 HB2 LEU 11 -29.824 22.519 -7.246 222 HB3 LEU 11 HB3 LEU 11 -28.883 21.049 -6.927 223 HG LEU 11 HG LEU 11 -29.770 20.462 -8.928 224 HD11 LEU 11 HD11 LEU 11 -32.197 19.846 -7.250 225 HD12 LEU 11 HD12 LEU 11 -31.766 19.060 -8.798 226 HD13 LEU 11 HD13 LEU 11 -30.780 18.756 -7.412 227 HD21 LEU 11 HD21 LEU 11 -31.764 21.324 -9.961 228 HD22 LEU 11 HD22 LEU 11 -32.338 21.983 -8.422 229 HD23 LEU 11 HD23 LEU 11 -30.925 22.654 -9.214 230 H VAL 12 H VAL 12 -31.261 23.153 -4.189 231 HA VAL 12 HA VAL 12 -29.071 23.098 -2.216 232 HB VAL 12 HB VAL 12 -31.759 24.383 -2.699 233 HG11 VAL 12 HG11 VAL 12 -30.112 24.734 -0.214 234 HG12 VAL 12 HG12 VAL 12 -31.316 25.913 -0.759 235 HG13 VAL 12 HG13 VAL 12 -31.816 24.246 -0.453 236 HG21 VAL 12 HG21 VAL 12 -29.999 25.202 -4.099 237 HG22 VAL 12 HG22 VAL 12 -30.523 26.490 -2.957 238 HG23 VAL 12 HG23 VAL 12 -29.003 25.643 -2.659 239 H GLU 13 H GLU 13 -32.503 22.205 -2.568 240 HA GLU 13 HA GLU 13 -32.402 20.905 -0.016 241 HB2 GLU 13 HB2 GLU 13 -34.307 20.805 -2.361 242 HB3 GLU 13 HB3 GLU 13 -34.756 20.088 -0.795 243 HG2 GLU 13 HG2 GLU 13 -34.493 22.374 0.250 244 HG3 GLU 13 HG3 GLU 13 -34.258 23.018 -1.388 245 HE2 GLU 13 HE2 GLU 13 -37.666 22.946 -2.051 246 H ALA 14 H ALA 14 -31.675 19.965 -3.067 247 HA ALA 14 HA ALA 14 -31.305 17.072 -2.440 248 HB1 ALA 14 HB1 ALA 14 -29.931 18.708 -4.518 249 HB2 ALA 14 HB2 ALA 14 -30.270 16.966 -4.651 250 HB3 ALA 14 HB3 ALA 14 -31.606 18.132 -4.765 251 H LEU 15 H LEU 15 -29.365 20.014 -2.382 252 HA LEU 15 HA LEU 15 -26.907 18.675 -1.713 253 HB2 LEU 15 HB2 LEU 15 -26.555 20.644 -2.711 254 HB3 LEU 15 HB3 LEU 15 -27.907 21.451 -1.928 255 HG LEU 15 HG LEU 15 -25.753 22.432 -1.365 256 HD11 LEU 15 HD11 LEU 15 -26.463 21.480 1.350 257 HD12 LEU 15 HD12 LEU 15 -26.745 23.089 0.573 258 HD13 LEU 15 HD13 LEU 15 -27.923 21.824 0.350 259 HD21 LEU 15 HD21 LEU 15 -24.444 20.340 -1.385 260 HD22 LEU 15 HD22 LEU 15 -24.244 21.216 0.166 261 HD23 LEU 15 HD23 LEU 15 -25.324 19.797 0.016 262 H TYR 16 H TYR 16 -29.411 20.207 0.241 263 HA TYR 16 HA TYR 16 -28.603 19.521 2.768 264 HB2 TYR 16 HB2 TYR 16 -31.260 19.897 1.439 265 HB3 TYR 16 HB3 TYR 16 -31.171 19.626 3.112 266 HD1 TYR 16 HD1 TYR 16 -32.510 21.704 2.056 267 HD2 TYR 16 HD2 TYR 16 -28.326 21.494 2.904 268 HE1 TYR 16 HE1 TYR 16 -32.356 24.172 1.874 269 HE2 TYR 16 HE2 TYR 16 -28.159 23.899 2.885 270 HH TYR 16 HH TYR 16 -31.028 26.024 2.148 271 H LEU 17 H LEU 17 -30.001 17.395 0.532 272 HA LEU 17 HA LEU 17 -30.432 15.163 2.380 273 HB2 LEU 17 HB2 LEU 17 -30.888 15.740 -0.547 274 HB3 LEU 17 HB3 LEU 17 -31.060 14.114 0.067 275 HG LEU 17 HG LEU 17 -32.544 16.489 1.143 276 HD11 LEU 17 HD11 LEU 17 -33.522 14.316 -0.814 277 HD12 LEU 17 HD12 LEU 17 -34.512 15.661 -0.154 278 HD13 LEU 17 HD13 LEU 17 -33.184 16.010 -1.264 279 HD21 LEU 17 HD21 LEU 17 -32.500 14.649 2.755 280 HD22 LEU 17 HD22 LEU 17 -34.131 14.708 2.082 281 HD23 LEU 17 HD23 LEU 17 -32.986 13.483 1.524 282 H VAL 18 H VAL 18 -27.978 16.261 0.275 283 HA VAL 18 HA VAL 18 -26.610 13.682 0.122 284 HB VAL 18 HB VAL 18 -26.425 16.419 -1.149 285 HG11 VAL 18 HG11 VAL 18 -24.404 14.219 -1.420 286 HG12 VAL 18 HG12 VAL 18 -24.569 15.510 -2.608 287 HG13 VAL 18 HG13 VAL 18 -24.171 15.954 -0.940 288 HG21 VAL 18 HG21 VAL 18 -28.080 14.763 -1.900 289 HG22 VAL 18 HG22 VAL 18 -26.932 15.200 -3.171 290 HG23 VAL 18 HG23 VAL 18 -26.762 13.627 -2.311 291 H CYS 19 H CYS 19 -25.641 16.874 0.713 292 HA CYS 19 HA CYS 19 -23.135 16.107 2.066 293 HB2 CYS 19 HB2 CYS 19 -23.751 17.997 0.302 294 HB3 CYS 19 HB3 CYS 19 -24.249 18.866 1.728 295 H GLY 20 H GLY 20 -26.048 17.910 2.798 296 HA2 GLY 20 HA2 GLY 20 -27.036 17.448 5.144 297 HA3 GLY 20 HA3 GLY 20 -25.483 17.938 5.744 298 H GLU 21 H GLU 21 -26.883 19.385 6.964 299 HA GLU 21 HA GLU 21 -28.593 21.282 5.777 300 HB2 GLU 21 HB2 GLU 21 -27.458 20.652 8.521 301 HB3 GLU 21 HB3 GLU 21 -28.644 21.900 8.305 302 HG2 GLU 21 HG2 GLU 21 -30.171 20.143 7.302 303 HG3 GLU 21 HG3 GLU 21 -28.914 18.969 7.588 304 HE2 GLU 21 HE2 GLU 21 -31.377 19.312 10.465 305 H ARG 22 H ARG 22 -26.093 21.764 7.924 306 HA ARG 22 HA ARG 22 -26.382 24.315 8.566 307 HB2 ARG 22 HB2 ARG 22 -23.944 22.550 8.673 308 HB3 ARG 22 HB3 ARG 22 -24.117 23.970 9.753 309 HG2 ARG 22 HG2 ARG 22 -25.343 22.817 11.234 310 HG3 ARG 22 HG3 ARG 22 -26.541 22.419 9.999 311 HD2 ARG 22 HD2 ARG 22 -24.940 20.553 9.240 312 HD3 ARG 22 HD3 ARG 22 -24.034 20.887 10.740 313 HE ARG 22 HE ARG 22 -26.902 20.507 11.241 314 HH11 ARG 22 HH11 ARG 22 -23.970 18.635 10.692 315 HH12 ARG 22 HH12 ARG 22 -24.671 17.229 11.433 316 HH21 ARG 22 HH21 ARG 22 -27.750 18.582 11.875 317 HH22 ARG 22 HH22 ARG 22 -26.686 17.251 12.214 318 H GLY 23 H GLY 23 -26.485 25.184 6.348 319 HA2 GLY 23 HA2 GLY 23 -26.020 27.429 5.832 320 HA3 GLY 23 HA3 GLY 23 -24.327 27.234 6.366 321 H PHE 24 H PHE 24 -25.719 25.088 4.222 322 HA PHE 24 HA PHE 24 -23.361 25.063 2.946 323 HB2 PHE 24 HB2 PHE 24 -25.966 23.619 2.601 324 HB3 PHE 24 HB3 PHE 24 -24.546 23.191 1.582 325 HD1 PHE 24 HD1 PHE 24 -23.757 24.386 4.994 326 HD2 PHE 24 HD2 PHE 24 -24.551 21.072 2.316 327 HE1 PHE 24 HE1 PHE 24 -22.933 22.819 6.648 328 HE2 PHE 24 HE2 PHE 24 -23.615 19.540 3.929 329 HZ PHE 24 HZ PHE 24 -22.731 20.345 6.170 330 H PHE 25 H PHE 25 -22.475 25.214 0.812 331 HA PHE 25 HA PHE 25 -23.442 27.705 -0.200 332 HB2 PHE 25 HB2 PHE 25 -21.456 27.167 1.298 333 HB3 PHE 25 HB3 PHE 25 -20.814 26.335 -0.116 334 HD1 PHE 25 HD1 PHE 25 -22.599 29.619 0.001 335 HD2 PHE 25 HD2 PHE 25 -19.031 27.443 -0.832 336 HE1 PHE 25 HE1 PHE 25 -21.516 31.716 -0.588 337 HE2 PHE 25 HE2 PHE 25 -17.933 29.504 -1.563 338 HZ PHE 25 HZ PHE 25 -19.128 31.743 -1.382 339 H TYR 26 H TYR 26 -22.169 28.262 -1.811 340 HA TYR 26 HA TYR 26 -22.169 26.872 -4.428 341 HB2 TYR 26 HB2 TYR 26 -23.756 29.244 -3.463 342 HB3 TYR 26 HB3 TYR 26 -23.404 29.002 -5.236 343 HD1 TYR 26 HD1 TYR 26 -23.607 26.476 -5.904 344 HD2 TYR 26 HD2 TYR 26 -25.674 28.332 -2.657 345 HE1 TYR 26 HE1 TYR 26 -24.966 24.431 -5.600 346 HE2 TYR 26 HE2 TYR 26 -27.006 26.329 -2.305 347 HH TYR 26 HH TYR 26 -26.651 23.380 -4.363 348 H THR 27 H THR 27 -20.585 27.360 -5.514 349 HA THR 27 HA THR 27 -18.687 29.418 -4.678 350 HB THR 27 HB THR 27 -17.018 27.701 -5.344 351 HG1 THR 27 HG1 THR 27 -17.643 25.717 -5.958 352 HG21 THR 27 HG21 THR 27 -19.228 26.675 -3.503 353 HG22 THR 27 HG22 THR 27 -17.531 26.187 -3.427 354 HG23 THR 27 HG23 THR 27 -18.008 27.848 -3.033 355 HA PRO 28 HA PRO 28 -17.997 29.694 -9.407 356 HB2 PRO 28 HB2 PRO 28 -20.871 29.783 -10.264 357 HB3 PRO 28 HB3 PRO 28 -19.448 29.124 -11.163 358 HG2 PRO 28 HG2 PRO 28 -21.181 27.436 -9.986 359 HG3 PRO 28 HG3 PRO 28 -19.377 27.184 -9.776 360 HD2 PRO 28 HD2 PRO 28 -21.287 28.575 -7.851 361 HD3 PRO 28 HD3 PRO 28 -20.133 27.227 -7.578 362 H LYS 29 H LYS 29 -18.205 31.649 -10.685 363 HA LYS 29 HA LYS 29 -19.806 33.923 -9.594 364 HB2 LYS 29 HB2 LYS 29 -16.825 34.009 -10.309 365 HB3 LYS 29 HB3 LYS 29 -17.782 35.400 -10.034 366 HG2 LYS 29 HG2 LYS 29 -17.200 33.235 -7.946 367 HG3 LYS 29 HG3 LYS 29 -16.331 34.767 -8.169 368 HD2 LYS 29 HD2 LYS 29 -18.439 36.004 -7.704 369 HD3 LYS 29 HD3 LYS 29 -19.320 34.488 -7.447 370 HE2 LYS 29 HE2 LYS 29 -18.786 35.291 -5.312 371 HE3 LYS 29 HE3 LYS 29 -17.761 33.892 -5.564 372 HZ1 LYS 29 HZ1 LYS 29 -16.836 36.725 -5.870 373 HZ2 LYS 29 HZ2 LYS 29 -16.481 35.715 -4.632 374 HZ3 LYS 29 HZ3 LYS 29 -15.900 35.433 -6.119 375 H ALA 30 H ALA 30 -20.520 35.338 -11.061 376 HA ALA 30 HA ALA 30 -19.751 35.234 -13.904 377 HB1 ALA 30 HB1 ALA 30 -21.648 33.580 -13.740 378 HB2 ALA 30 HB2 ALA 30 -22.638 34.833 -12.968 379 HB3 ALA 30 HB3 ALA 30 -22.097 35.016 -14.642 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -20.866 20.260 -12.594 2 H2 GLY 1 H2 GLY 1 -20.764 19.308 -11.240 3 H3 GLY 1 H3 GLY 1 -19.706 20.538 -11.488 4 HA2 GLY 1 HA2 GLY 1 -21.263 21.178 -9.827 5 HA3 GLY 1 HA3 GLY 1 -21.393 22.198 -11.278 6 H ILE 2 H ILE 2 -23.501 22.702 -10.485 7 HA ILE 2 HA ILE 2 -25.336 20.465 -10.022 8 HB ILE 2 HB ILE 2 -23.716 21.474 -8.470 9 HG12 ILE 2 HG12 ILE 2 -26.524 21.913 -7.417 10 HG13 ILE 2 HG13 ILE 2 -25.738 20.340 -7.645 11 HG21 ILE 2 HG21 ILE 2 -25.367 23.973 -8.222 12 HG22 ILE 2 HG22 ILE 2 -23.728 23.644 -7.634 13 HG23 ILE 2 HG23 ILE 2 -24.007 23.874 -9.323 14 HD11 ILE 2 HD11 ILE 2 -23.779 21.257 -6.243 15 HD12 ILE 2 HD12 ILE 2 -24.812 22.656 -5.889 16 HD13 ILE 2 HD13 ILE 2 -25.312 21.021 -5.325 17 H VAL 3 H VAL 3 -25.408 23.638 -11.463 18 HA VAL 3 HA VAL 3 -27.809 24.420 -10.059 19 HB VAL 3 HB VAL 3 -26.146 25.685 -12.191 20 HG11 VAL 3 HG11 VAL 3 -27.465 27.789 -11.792 21 HG12 VAL 3 HG12 VAL 3 -28.399 26.555 -12.641 22 HG13 VAL 3 HG13 VAL 3 -28.674 26.865 -10.898 23 HG21 VAL 3 HG21 VAL 3 -25.754 27.396 -10.353 24 HG22 VAL 3 HG22 VAL 3 -26.658 26.366 -9.247 25 HG23 VAL 3 HG23 VAL 3 -25.156 25.771 -9.991 26 H GLU 4 H GLU 4 -26.965 24.002 -13.224 27 HA GLU 4 HA GLU 4 -29.617 23.457 -14.339 28 HB2 GLU 4 HB2 GLU 4 -28.627 24.637 -16.260 29 HB3 GLU 4 HB3 GLU 4 -28.231 25.494 -14.716 30 HG2 GLU 4 HG2 GLU 4 -25.981 24.399 -14.732 31 HG3 GLU 4 HG3 GLU 4 -26.378 23.722 -16.361 32 HE2 GLU 4 HE2 GLU 4 -25.929 26.822 -17.921 33 H GLN 5 H GLN 5 -26.546 22.247 -14.172 34 HA GLN 5 HA GLN 5 -26.340 19.993 -15.749 35 HB2 GLN 5 HB2 GLN 5 -25.711 20.409 -12.838 36 HB3 GLN 5 HB3 GLN 5 -24.842 19.244 -13.875 37 HG2 GLN 5 HG2 GLN 5 -24.679 22.278 -13.778 38 HG3 GLN 5 HG3 GLN 5 -23.411 21.132 -13.597 39 HE21 GLN 5 HE21 GLN 5 -22.888 20.636 -17.147 40 HE22 GLN 5 HE22 GLN 5 -22.958 19.659 -15.674 41 H CYS 6 H CYS 6 -28.069 20.498 -12.731 42 HA CYS 6 HA CYS 6 -29.386 17.873 -12.584 43 HB2 CYS 6 HB2 CYS 6 -29.227 20.360 -10.978 44 HB3 CYS 6 HB3 CYS 6 -30.269 19.032 -10.457 45 H CYS 7 H CYS 7 -30.294 21.156 -13.519 46 HA CYS 7 HA CYS 7 -33.124 20.785 -13.607 47 HB2 CYS 7 HB2 CYS 7 -31.693 22.881 -13.626 48 HB3 CYS 7 HB3 CYS 7 -31.235 22.467 -15.247 49 H ALA 8 H ALA 8 -30.430 20.001 -15.848 50 HA ALA 8 HA ALA 8 -32.144 18.238 -17.527 51 HB1 ALA 8 HB1 ALA 8 -29.922 17.530 -18.360 52 HB2 ALA 8 HB2 ALA 8 -30.127 19.286 -18.470 53 HB3 ALA 8 HB3 ALA 8 -29.155 18.571 -17.156 54 H SER 9 H SER 9 -32.557 16.124 -17.081 55 HA SER 9 HA SER 9 -32.896 15.605 -14.443 56 HB2 SER 9 HB2 SER 9 -33.012 13.780 -16.820 57 HB3 SER 9 HB3 SER 9 -33.916 13.575 -15.334 58 HG SER 9 HG SER 9 -35.254 14.537 -16.864 59 H VAL 10 H VAL 10 -32.843 13.416 -13.572 60 HA VAL 10 HA VAL 10 -31.481 12.790 -11.774 61 HB VAL 10 HB VAL 10 -30.828 10.428 -12.765 62 HG11 VAL 10 HG11 VAL 10 -32.549 10.777 -11.150 63 HG12 VAL 10 HG12 VAL 10 -33.596 11.606 -12.348 64 HG13 VAL 10 HG13 VAL 10 -33.275 9.859 -12.470 65 HG21 VAL 10 HG21 VAL 10 -31.232 11.140 -15.207 66 HG22 VAL 10 HG22 VAL 10 -32.252 9.820 -14.627 67 HG23 VAL 10 HG23 VAL 10 -32.945 11.400 -14.733 68 H CYS 11 H CYS 11 -29.956 14.543 -11.743 69 HA CYS 11 HA CYS 11 -27.188 13.909 -12.475 70 HB2 CYS 11 HB2 CYS 11 -26.616 15.949 -11.274 71 HB3 CYS 11 HB3 CYS 11 -27.982 16.271 -12.343 72 H SER 12 H SER 12 -25.463 13.480 -11.018 73 HA SER 12 HA SER 12 -26.080 11.678 -8.873 74 HB2 SER 12 HB2 SER 12 -23.521 12.675 -10.106 75 HB3 SER 12 HB3 SER 12 -23.696 11.306 -9.039 76 HG SER 12 HG SER 12 -23.598 10.635 -11.238 77 H LEU 13 H LEU 13 -24.608 11.641 -7.149 78 HA LEU 13 HA LEU 13 -25.259 13.768 -5.244 79 HB2 LEU 13 HB2 LEU 13 -23.319 11.419 -5.263 80 HB3 LEU 13 HB3 LEU 13 -23.907 12.254 -3.794 81 HG LEU 13 HG LEU 13 -25.431 10.572 -3.644 82 HD11 LEU 13 HD11 LEU 13 -26.780 11.554 -6.163 83 HD12 LEU 13 HD12 LEU 13 -27.475 10.626 -4.850 84 HD13 LEU 13 HD13 LEU 13 -26.977 12.272 -4.540 85 HD21 LEU 13 HD21 LEU 13 -24.088 9.200 -5.172 86 HD22 LEU 13 HD22 LEU 13 -25.818 8.855 -5.224 87 HD23 LEU 13 HD23 LEU 13 -25.054 9.793 -6.543 88 H TYR 14 H TYR 14 -22.236 12.746 -6.906 89 HA TYR 14 HA TYR 14 -20.576 14.669 -5.892 90 HB2 TYR 14 HB2 TYR 14 -20.950 13.509 -8.706 91 HB3 TYR 14 HB3 TYR 14 -19.424 14.083 -7.977 92 HD1 TYR 14 HD1 TYR 14 -18.895 13.038 -5.703 93 HD2 TYR 14 HD2 TYR 14 -21.353 11.372 -8.773 94 HE1 TYR 14 HE1 TYR 14 -18.706 10.790 -4.622 95 HE2 TYR 14 HE2 TYR 14 -21.373 9.189 -7.615 96 HH TYR 14 HH TYR 14 -19.346 8.538 -4.705 97 H GLN 15 H GLN 15 -22.821 15.090 -8.341 98 HA GLN 15 HA GLN 15 -21.986 17.761 -9.238 99 HB2 GLN 15 HB2 GLN 15 -24.597 16.262 -9.363 100 HB3 GLN 15 HB3 GLN 15 -24.231 17.731 -10.287 101 HG2 GLN 15 HG2 GLN 15 -22.276 16.357 -11.247 102 HG3 GLN 15 HG3 GLN 15 -23.004 14.993 -10.447 103 HE21 GLN 15 HE21 GLN 15 -25.001 16.646 -13.667 104 HE22 GLN 15 HE22 GLN 15 -24.025 17.685 -12.637 105 H LEU 16 H LEU 16 -24.385 16.448 -7.166 106 HA LEU 16 HA LEU 16 -25.319 18.831 -5.939 107 HB2 LEU 16 HB2 LEU 16 -25.406 15.867 -5.417 108 HB3 LEU 16 HB3 LEU 16 -26.312 16.934 -4.427 109 HG LEU 16 HG LEU 16 -26.579 16.683 -7.469 110 HD11 LEU 16 HD11 LEU 16 -28.388 15.596 -5.305 111 HD12 LEU 16 HD12 LEU 16 -28.534 15.450 -7.084 112 HD13 LEU 16 HD13 LEU 16 -27.209 14.664 -6.258 113 HD21 LEU 16 HD21 LEU 16 -27.292 18.834 -6.903 114 HD22 LEU 16 HD22 LEU 16 -28.788 17.914 -7.024 115 HD23 LEU 16 HD23 LEU 16 -28.072 18.262 -5.409 116 H GLU 17 H GLU 17 -22.694 16.749 -4.893 117 HA GLU 17 HA GLU 17 -22.211 17.938 -2.306 118 HB2 GLU 17 HB2 GLU 17 -20.585 16.392 -4.379 119 HB3 GLU 17 HB3 GLU 17 -19.850 16.940 -2.845 120 HG2 GLU 17 HG2 GLU 17 -21.472 15.670 -1.598 121 HG3 GLU 17 HG3 GLU 17 -22.349 15.366 -3.068 122 HE2 GLU 17 HE2 GLU 17 -20.730 12.261 -2.977 123 H ASN 18 H ASN 18 -20.834 18.422 -5.474 124 HA ASN 18 HA ASN 18 -18.474 19.235 -5.467 125 HB2 ASN 18 HB2 ASN 18 -20.927 20.476 -6.762 126 HB3 ASN 18 HB3 ASN 18 -19.444 21.295 -6.850 127 HD21 ASN 18 HD21 ASN 18 -17.625 19.085 -8.808 128 HD22 ASN 18 HD22 ASN 18 -17.613 19.952 -7.239 129 H TYR 19 H TYR 19 -20.516 21.948 -5.084 130 HA TYR 19 HA TYR 19 -18.690 23.882 -4.360 131 HB2 TYR 19 HB2 TYR 19 -21.661 23.556 -3.974 132 HB3 TYR 19 HB3 TYR 19 -20.830 25.119 -3.775 133 HD1 TYR 19 HD1 TYR 19 -19.039 25.574 -5.784 134 HD2 TYR 19 HD2 TYR 19 -22.282 22.746 -5.923 135 HE1 TYR 19 HE1 TYR 19 -18.506 25.008 -8.100 136 HE2 TYR 19 HE2 TYR 19 -21.825 22.212 -8.055 137 HH TYR 19 HH TYR 19 -19.039 23.790 -9.949 138 H CYS 20 H CYS 20 -20.901 22.273 -2.377 139 HA CYS 20 HA CYS 20 -20.954 23.704 0.046 140 HB2 CYS 20 HB2 CYS 20 -22.504 21.967 -0.863 141 HB3 CYS 20 HB3 CYS 20 -21.332 20.745 -0.519 142 H ASN 21 H ASN 21 -19.731 23.877 1.807 143 HA ASN 21 HA ASN 21 -17.004 23.133 1.916 144 HB2 ASN 21 HB2 ASN 21 -18.117 25.242 2.605 145 HB3 ASN 21 HB3 ASN 21 -18.976 24.387 3.868 146 HD21 ASN 21 HD21 ASN 21 -16.038 23.997 5.997 147 HD22 ASN 21 HD22 ASN 21 -17.352 23.002 5.354 148 H1 PHE 1 H1 PHE 1 -30.414 5.289 -5.873 149 H2 PHE 1 H2 PHE 1 -28.990 5.600 -5.157 150 H3 PHE 1 H3 PHE 1 -29.333 6.207 -6.635 151 HA PHE 1 HA PHE 1 -30.634 6.939 -4.077 152 HB2 PHE 1 HB2 PHE 1 -28.220 7.880 -5.020 153 HB3 PHE 1 HB3 PHE 1 -29.359 9.129 -5.525 154 HD1 PHE 1 HD1 PHE 1 -27.076 9.029 -3.426 155 HD2 PHE 1 HD2 PHE 1 -31.366 8.713 -3.129 156 HE1 PHE 1 HE1 PHE 1 -26.972 9.610 -1.054 157 HE2 PHE 1 HE2 PHE 1 -31.239 9.172 -0.772 158 HZ PHE 1 HZ PHE 1 -29.074 9.713 0.351 159 H VAL 2 H VAL 2 -31.354 9.504 -5.069 160 HA VAL 2 HA VAL 2 -33.973 8.785 -6.325 161 HB VAL 2 HB VAL 2 -33.033 10.145 -3.826 162 HG11 VAL 2 HG11 VAL 2 -34.785 11.733 -4.750 163 HG12 VAL 2 HG12 VAL 2 -35.875 10.357 -4.960 164 HG13 VAL 2 HG13 VAL 2 -35.428 10.824 -3.324 165 HG21 VAL 2 HG21 VAL 2 -34.730 8.645 -2.731 166 HG22 VAL 2 HG22 VAL 2 -35.131 7.987 -4.310 167 HG23 VAL 2 HG23 VAL 2 -33.491 7.783 -3.603 168 H ASN 3 H ASN 3 -31.837 11.487 -5.453 169 HA ASN 3 HA ASN 3 -33.157 13.493 -6.555 170 HB2 ASN 3 HB2 ASN 3 -30.167 13.522 -6.771 171 HB3 ASN 3 HB3 ASN 3 -31.385 14.767 -6.287 172 HD21 ASN 3 HD21 ASN 3 -32.771 13.399 -4.503 173 HD22 ASN 3 HD22 ASN 3 -31.761 12.892 -3.140 174 H GLN 4 H GLN 4 -33.172 14.856 -8.235 175 HA GLN 4 HA GLN 4 -33.683 13.046 -10.493 176 HB2 GLN 4 HB2 GLN 4 -35.017 13.443 -8.234 177 HB3 GLN 4 HB3 GLN 4 -35.573 14.847 -9.024 178 HG2 GLN 4 HG2 GLN 4 -36.736 13.463 -10.712 179 HG3 GLN 4 HG3 GLN 4 -35.765 12.008 -10.304 180 HE21 GLN 4 HE21 GLN 4 -37.677 11.321 -7.314 181 HE22 GLN 4 HE22 GLN 4 -36.008 11.277 -7.910 182 H HIS 5 H HIS 5 -35.744 14.809 -11.096 183 HA HIS 5 HA HIS 5 -34.664 15.746 -13.538 184 HB2 HIS 5 HB2 HIS 5 -37.372 15.550 -12.284 185 HB3 HIS 5 HB3 HIS 5 -37.120 15.969 -13.991 186 HD2 HIS 5 HD2 HIS 5 -38.619 13.612 -14.388 187 HE1 HIS 5 HE1 HIS 5 -35.073 11.326 -13.922 188 HE2 HIS 5 HE2 HIS 5 -37.516 11.213 -14.760 189 H LEU 6 H LEU 6 -36.362 17.216 -10.990 190 HA LEU 6 HA LEU 6 -36.943 19.627 -12.272 191 HB2 LEU 6 HB2 LEU 6 -37.870 18.367 -10.045 192 HB3 LEU 6 HB3 LEU 6 -36.956 19.651 -9.308 193 HG LEU 6 HG LEU 6 -39.565 19.786 -9.809 194 HD11 LEU 6 HD11 LEU 6 -39.505 22.152 -9.529 195 HD12 LEU 6 HD12 LEU 6 -38.216 21.465 -8.569 196 HD13 LEU 6 HD13 LEU 6 -37.819 22.252 -10.096 197 HD21 LEU 6 HD21 LEU 6 -39.294 19.696 -12.318 198 HD22 LEU 6 HD22 LEU 6 -40.109 21.158 -11.714 199 HD23 LEU 6 HD23 LEU 6 -38.436 21.257 -12.229 200 H CYS 7 H CYS 7 -36.583 21.767 -11.469 201 HA CYS 7 HA CYS 7 -33.704 22.393 -11.522 202 HB2 CYS 7 HB2 CYS 7 -36.285 23.776 -12.419 203 HB3 CYS 7 HB3 CYS 7 -34.717 24.461 -12.730 204 H GLY 8 H GLY 8 -33.533 25.036 -10.939 205 HA2 GLY 8 HA2 GLY 8 -34.071 26.834 -9.467 206 HA3 GLY 8 HA3 GLY 8 -35.417 25.849 -8.891 207 H SER 9 H SER 9 -35.274 25.458 -6.886 208 HA SER 9 HA SER 9 -32.717 25.088 -5.355 209 HB2 SER 9 HB2 SER 9 -35.342 26.461 -4.821 210 HB3 SER 9 HB3 SER 9 -34.119 26.242 -3.525 211 HG SER 9 HG SER 9 -34.041 28.387 -4.503 212 H HIS 10 H HIS 10 -34.714 23.241 -6.608 213 HA HIS 10 HA HIS 10 -35.080 21.423 -4.342 214 HB2 HIS 10 HB2 HIS 10 -36.456 22.008 -6.676 215 HB3 HIS 10 HB3 HIS 10 -35.275 20.946 -7.342 216 HD2 HIS 10 HD2 HIS 10 -37.295 20.952 -4.119 217 HE1 HIS 10 HE1 HIS 10 -37.951 17.033 -5.704 218 HE2 HIS 10 HE2 HIS 10 -38.450 18.566 -3.732 219 H LEU 11 H LEU 11 -33.100 21.769 -6.926 220 HA LEU 11 HA LEU 11 -31.416 19.777 -5.607 221 HB2 LEU 11 HB2 LEU 11 -29.875 19.874 -7.655 222 HB3 LEU 11 HB3 LEU 11 -31.564 19.775 -8.137 223 HG LEU 11 HG LEU 11 -29.799 21.441 -9.220 224 HD11 LEU 11 HD11 LEU 11 -31.928 20.990 -10.161 225 HD12 LEU 11 HD12 LEU 11 -32.773 21.986 -8.931 226 HD13 LEU 11 HD13 LEU 11 -31.683 22.704 -10.138 227 HD21 LEU 11 HD21 LEU 11 -29.514 22.969 -7.288 228 HD22 LEU 11 HD22 LEU 11 -30.352 23.796 -8.604 229 HD23 LEU 11 HD23 LEU 11 -31.289 23.205 -7.222 230 H VAL 12 H VAL 12 -31.917 22.479 -4.693 231 HA VAL 12 HA VAL 12 -29.414 22.608 -3.130 232 HB VAL 12 HB VAL 12 -31.975 24.125 -3.437 233 HG11 VAL 12 HG11 VAL 12 -29.792 24.883 -1.491 234 HG12 VAL 12 HG12 VAL 12 -31.157 25.927 -1.980 235 HG13 VAL 12 HG13 VAL 12 -31.504 24.357 -1.230 236 HG21 VAL 12 HG21 VAL 12 -30.475 24.435 -5.262 237 HG22 VAL 12 HG22 VAL 12 -30.693 25.958 -4.397 238 HG23 VAL 12 HG23 VAL 12 -29.172 25.024 -4.135 239 H GLU 13 H GLU 13 -32.834 21.885 -2.952 240 HA GLU 13 HA GLU 13 -32.539 20.997 -0.238 241 HB2 GLU 13 HB2 GLU 13 -34.769 21.756 -1.240 242 HB3 GLU 13 HB3 GLU 13 -34.541 20.493 -2.459 243 HG2 GLU 13 HG2 GLU 13 -36.274 19.889 -0.919 244 HG3 GLU 13 HG3 GLU 13 -34.910 18.754 -0.860 245 HE2 GLU 13 HE2 GLU 13 -35.803 19.300 2.573 246 H ALA 14 H ALA 14 -32.105 19.672 -3.238 247 HA ALA 14 HA ALA 14 -31.465 16.950 -2.201 248 HB1 ALA 14 HB1 ALA 14 -30.338 18.364 -4.635 249 HB2 ALA 14 HB2 ALA 14 -30.487 16.601 -4.398 250 HB3 ALA 14 HB3 ALA 14 -31.959 17.560 -4.682 251 H LEU 15 H LEU 15 -29.693 19.931 -2.788 252 HA LEU 15 HA LEU 15 -27.158 18.693 -2.147 253 HB2 LEU 15 HB2 LEU 15 -26.465 20.337 -3.305 254 HB3 LEU 15 HB3 LEU 15 -27.941 21.190 -3.181 255 HG LEU 15 HG LEU 15 -26.168 22.618 -2.648 256 HD11 LEU 15 HD11 LEU 15 -26.872 23.592 -0.653 257 HD12 LEU 15 HD12 LEU 15 -28.306 22.877 -1.357 258 HD13 LEU 15 HD13 LEU 15 -27.529 22.063 0.019 259 HD21 LEU 15 HD21 LEU 15 -25.533 20.742 -0.379 260 HD22 LEU 15 HD22 LEU 15 -24.580 20.957 -1.864 261 HD23 LEU 15 HD23 LEU 15 -24.814 22.317 -0.661 262 H TYR 16 H TYR 16 -29.365 20.606 -0.130 263 HA TYR 16 HA TYR 16 -28.125 20.267 2.304 264 HB2 TYR 16 HB2 TYR 16 -30.982 20.499 1.409 265 HB3 TYR 16 HB3 TYR 16 -30.549 20.257 3.118 266 HD1 TYR 16 HD1 TYR 16 -31.443 22.633 0.910 267 HD2 TYR 16 HD2 TYR 16 -28.365 21.739 3.737 268 HE1 TYR 16 HE1 TYR 16 -30.713 24.980 0.821 269 HE2 TYR 16 HE2 TYR 16 -27.402 24.035 3.457 270 HH TYR 16 HH TYR 16 -29.009 26.530 1.389 271 H LEU 17 H LEU 17 -29.913 17.861 0.623 272 HA LEU 17 HA LEU 17 -29.982 15.978 2.868 273 HB2 LEU 17 HB2 LEU 17 -30.946 16.094 -0.036 274 HB3 LEU 17 HB3 LEU 17 -31.033 14.623 0.861 275 HG LEU 17 HG LEU 17 -32.264 17.223 1.741 276 HD11 LEU 17 HD11 LEU 17 -33.636 14.760 0.562 277 HD12 LEU 17 HD12 LEU 17 -34.442 16.234 1.157 278 HD13 LEU 17 HD13 LEU 17 -33.374 16.297 -0.288 279 HD21 LEU 17 HD21 LEU 17 -31.941 15.832 3.713 280 HD22 LEU 17 HD22 LEU 17 -33.670 15.805 3.269 281 HD23 LEU 17 HD23 LEU 17 -32.615 14.417 2.851 282 H VAL 18 H VAL 18 -27.914 16.572 0.263 283 HA VAL 18 HA VAL 18 -26.489 14.020 0.276 284 HB VAL 18 HB VAL 18 -26.444 16.642 -1.210 285 HG11 VAL 18 HG11 VAL 18 -24.291 14.575 -1.440 286 HG12 VAL 18 HG12 VAL 18 -24.709 15.706 -2.727 287 HG13 VAL 18 HG13 VAL 18 -24.218 16.381 -1.188 288 HG21 VAL 18 HG21 VAL 18 -27.009 15.180 -3.109 289 HG22 VAL 18 HG22 VAL 18 -26.829 13.722 -2.071 290 HG23 VAL 18 HG23 VAL 18 -28.096 14.913 -1.706 291 H CYS 19 H CYS 19 -25.552 17.309 0.676 292 HA CYS 19 HA CYS 19 -22.928 16.686 1.725 293 HB2 CYS 19 HB2 CYS 19 -23.735 18.645 0.360 294 HB3 CYS 19 HB3 CYS 19 -24.603 19.203 1.756 295 H GLY 20 H GLY 20 -25.975 17.611 3.136 296 HA2 GLY 20 HA2 GLY 20 -26.941 16.970 5.194 297 HA3 GLY 20 HA3 GLY 20 -25.482 16.063 5.532 298 H GLU 21 H GLU 21 -24.068 16.806 6.987 299 HA GLU 21 HA GLU 21 -24.978 17.829 9.295 300 HB2 GLU 21 HB2 GLU 21 -22.254 17.355 7.995 301 HB3 GLU 21 HB3 GLU 21 -22.350 17.996 9.611 302 HG2 GLU 21 HG2 GLU 21 -23.734 15.970 10.217 303 HG3 GLU 21 HG3 GLU 21 -23.605 15.461 8.535 304 HE2 GLU 21 HE2 GLU 21 -21.121 13.521 10.222 305 H ARG 22 H ARG 22 -22.659 19.262 7.427 306 HA ARG 22 HA ARG 22 -21.826 21.648 8.558 307 HB2 ARG 22 HB2 ARG 22 -22.135 20.756 5.679 308 HB3 ARG 22 HB3 ARG 22 -21.052 22.050 6.178 309 HG2 ARG 22 HG2 ARG 22 -19.412 20.583 6.828 310 HG3 ARG 22 HG3 ARG 22 -20.509 19.751 7.881 311 HD2 ARG 22 HD2 ARG 22 -19.827 18.106 6.415 312 HD3 ARG 22 HD3 ARG 22 -21.442 18.548 5.784 313 HE ARG 22 HE ARG 22 -19.288 20.067 4.575 314 HH11 ARG 22 HH11 ARG 22 -20.762 16.912 4.373 315 HH12 ARG 22 HH12 ARG 22 -19.886 16.482 2.913 316 HH21 ARG 22 HH21 ARG 22 -18.184 19.516 2.775 317 HH22 ARG 22 HH22 ARG 22 -18.513 18.001 1.966 318 H GLY 23 H GLY 23 -21.762 23.709 7.255 319 HA2 GLY 23 HA2 GLY 23 -24.461 24.763 6.673 320 HA3 GLY 23 HA3 GLY 23 -23.409 25.687 7.733 321 H PHE 24 H PHE 24 -24.566 25.362 4.993 322 HA PHE 24 HA PHE 24 -22.618 24.659 3.293 323 HB2 PHE 24 HB2 PHE 24 -25.519 25.411 2.977 324 HB3 PHE 24 HB3 PHE 24 -24.566 24.882 1.577 325 HD1 PHE 24 HD1 PHE 24 -23.761 23.419 4.884 326 HD2 PHE 24 HD2 PHE 24 -25.716 23.083 1.096 327 HE1 PHE 24 HE1 PHE 24 -24.297 21.167 5.402 328 HE2 PHE 24 HE2 PHE 24 -26.338 20.828 1.606 329 HZ PHE 24 HZ PHE 24 -25.779 19.804 3.843 330 H PHE 25 H PHE 25 -21.776 25.419 1.193 331 HA PHE 25 HA PHE 25 -21.328 28.195 0.903 332 HB2 PHE 25 HB2 PHE 25 -19.925 25.912 0.626 333 HB3 PHE 25 HB3 PHE 25 -20.537 26.097 -1.014 334 HD1 PHE 25 HD1 PHE 25 -19.216 28.124 1.762 335 HD2 PHE 25 HD2 PHE 25 -19.383 27.509 -2.475 336 HE1 PHE 25 HE1 PHE 25 -17.724 30.076 1.458 337 HE2 PHE 25 HE2 PHE 25 -17.749 29.349 -2.800 338 HZ PHE 25 HZ PHE 25 -16.915 30.703 -0.869 339 H TYR 26 H TYR 26 -21.106 28.512 -1.288 340 HA TYR 26 HA TYR 26 -22.008 27.541 -3.531 341 HB2 TYR 26 HB2 TYR 26 -24.097 29.385 -2.575 342 HB3 TYR 26 HB3 TYR 26 -23.577 29.513 -4.272 343 HD1 TYR 26 HD1 TYR 26 -23.001 27.166 -5.311 344 HD2 TYR 26 HD2 TYR 26 -26.110 28.153 -2.492 345 HE1 TYR 26 HE1 TYR 26 -24.170 25.122 -5.937 346 HE2 TYR 26 HE2 TYR 26 -27.414 26.140 -3.234 347 HH TYR 26 HH TYR 26 -26.198 23.953 -5.801 348 H THR 27 H THR 27 -21.377 28.573 -5.369 349 HA THR 27 HA THR 27 -19.346 30.645 -5.035 350 HB THR 27 HB THR 27 -18.512 29.510 -7.175 351 HG1 THR 27 HG1 THR 27 -20.307 28.550 -7.946 352 HG21 THR 27 HG21 THR 27 -17.684 28.908 -4.920 353 HG22 THR 27 HG22 THR 27 -19.113 27.799 -4.706 354 HG23 THR 27 HG23 THR 27 -17.845 27.478 -5.958 355 HA PRO 28 HA PRO 28 -21.141 33.432 -8.145 356 HB2 PRO 28 HB2 PRO 28 -18.956 34.603 -9.268 357 HB3 PRO 28 HB3 PRO 28 -19.544 35.005 -7.635 358 HG2 PRO 28 HG2 PRO 28 -17.355 33.062 -8.420 359 HG3 PRO 28 HG3 PRO 28 -17.284 34.286 -7.117 360 HD2 PRO 28 HD2 PRO 28 -17.756 31.704 -6.611 361 HD3 PRO 28 HD3 PRO 28 -18.592 32.993 -5.661 362 H LYS 29 H LYS 29 -21.808 33.253 -10.135 363 HA LYS 29 HA LYS 29 -20.960 31.009 -11.818 364 HB2 LYS 29 HB2 LYS 29 -23.204 33.065 -12.032 365 HB3 LYS 29 HB3 LYS 29 -22.891 31.857 -13.305 366 HG2 LYS 29 HG2 LYS 29 -23.528 31.121 -10.387 367 HG3 LYS 29 HG3 LYS 29 -24.728 31.271 -11.642 368 HD2 LYS 29 HD2 LYS 29 -22.389 29.324 -11.786 369 HD3 LYS 29 HD3 LYS 29 -23.972 28.934 -11.136 370 HE2 LYS 29 HE2 LYS 29 -25.085 29.387 -13.251 371 HE3 LYS 29 HE3 LYS 29 -23.565 29.967 -13.982 372 HZ1 LYS 29 HZ1 LYS 29 -24.128 27.615 -14.549 373 HZ2 LYS 29 HZ2 LYS 29 -22.659 27.777 -13.874 374 HZ3 LYS 29 HZ3 LYS 29 -23.908 27.194 -13.000 375 H ALA 30 H ALA 30 -20.426 31.243 -14.089 376 HA ALA 30 HA ALA 30 -19.414 33.832 -15.042 377 HB1 ALA 30 HB1 ALA 30 -17.768 31.258 -14.860 378 HB2 ALA 30 HB2 ALA 30 -17.290 32.708 -15.777 379 HB3 ALA 30 HB3 ALA 30 -17.428 32.798 -13.999 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -20.442 20.604 -12.561 2 H2 GLY 1 H2 GLY 1 -20.474 19.362 -11.457 3 H3 GLY 1 H3 GLY 1 -19.323 20.513 -11.363 4 HA2 GLY 1 HA2 GLY 1 -21.068 20.894 -9.643 5 HA3 GLY 1 HA3 GLY 1 -21.009 22.196 -10.851 6 H ILE 2 H ILE 2 -23.062 22.741 -10.494 7 HA ILE 2 HA ILE 2 -25.105 20.691 -10.339 8 HB ILE 2 HB ILE 2 -23.555 21.580 -8.573 9 HG12 ILE 2 HG12 ILE 2 -26.358 22.205 -7.669 10 HG13 ILE 2 HG13 ILE 2 -25.682 20.547 -7.853 11 HG21 ILE 2 HG21 ILE 2 -23.515 23.711 -7.690 12 HG22 ILE 2 HG22 ILE 2 -23.613 23.984 -9.459 13 HG23 ILE 2 HG23 ILE 2 -25.026 24.192 -8.443 14 HD11 ILE 2 HD11 ILE 2 -24.694 22.798 -6.054 15 HD12 ILE 2 HD12 ILE 2 -25.293 21.208 -5.584 16 HD13 ILE 2 HD13 ILE 2 -23.719 21.352 -6.448 17 H VAL 3 H VAL 3 -24.685 23.797 -11.720 18 HA VAL 3 HA VAL 3 -26.816 25.082 -10.369 19 HB VAL 3 HB VAL 3 -25.188 25.772 -12.774 20 HG11 VAL 3 HG11 VAL 3 -27.084 27.668 -11.251 21 HG12 VAL 3 HG12 VAL 3 -25.902 28.185 -12.473 22 HG13 VAL 3 HG13 VAL 3 -27.243 27.160 -12.966 23 HG21 VAL 3 HG21 VAL 3 -25.032 26.836 -9.933 24 HG22 VAL 3 HG22 VAL 3 -23.856 25.735 -10.740 25 HG23 VAL 3 HG23 VAL 3 -24.038 27.371 -11.317 26 H GLU 4 H GLU 4 -26.406 23.931 -13.325 27 HA GLU 4 HA GLU 4 -29.140 23.812 -14.278 28 HB2 GLU 4 HB2 GLU 4 -27.972 24.590 -16.454 29 HB3 GLU 4 HB3 GLU 4 -27.705 25.655 -15.071 30 HG2 GLU 4 HG2 GLU 4 -25.453 24.556 -14.725 31 HG3 GLU 4 HG3 GLU 4 -25.683 23.755 -16.297 32 HE2 GLU 4 HE2 GLU 4 -24.116 27.254 -16.318 33 H GLN 5 H GLN 5 -26.166 22.428 -14.413 34 HA GLN 5 HA GLN 5 -26.037 20.178 -15.874 35 HB2 GLN 5 HB2 GLN 5 -25.351 20.723 -12.992 36 HB3 GLN 5 HB3 GLN 5 -24.522 19.488 -13.985 37 HG2 GLN 5 HG2 GLN 5 -24.287 22.016 -15.371 38 HG3 GLN 5 HG3 GLN 5 -24.006 22.350 -13.643 39 HE21 GLN 5 HE21 GLN 5 -21.365 19.940 -15.705 40 HE22 GLN 5 HE22 GLN 5 -23.015 19.954 -16.216 41 H CYS 6 H CYS 6 -27.450 20.628 -12.639 42 HA CYS 6 HA CYS 6 -28.965 18.099 -12.591 43 HB2 CYS 6 HB2 CYS 6 -28.372 20.376 -10.763 44 HB3 CYS 6 HB3 CYS 6 -29.394 19.037 -10.229 45 H CYS 7 H CYS 7 -29.670 21.496 -13.089 46 HA CYS 7 HA CYS 7 -32.477 21.275 -12.435 47 HB2 CYS 7 HB2 CYS 7 -30.662 23.307 -12.725 48 HB3 CYS 7 HB3 CYS 7 -31.406 23.331 -14.279 49 H ALA 8 H ALA 8 -30.554 20.711 -15.337 50 HA ALA 8 HA ALA 8 -32.680 19.762 -17.124 51 HB1 ALA 8 HB1 ALA 8 -29.682 19.169 -16.852 52 HB2 ALA 8 HB2 ALA 8 -30.716 18.845 -18.272 53 HB3 ALA 8 HB3 ALA 8 -30.355 20.497 -17.835 54 H SER 9 H SER 9 -31.570 17.145 -17.621 55 HA SER 9 HA SER 9 -33.024 15.431 -15.952 56 HB2 SER 9 HB2 SER 9 -30.597 14.877 -17.589 57 HB3 SER 9 HB3 SER 9 -31.924 13.793 -17.265 58 HG SER 9 HG SER 9 -32.190 14.563 -19.386 59 H VAL 10 H VAL 10 -31.784 13.467 -15.300 60 HA VAL 10 HA VAL 10 -31.242 13.809 -12.717 61 HB VAL 10 HB VAL 10 -30.840 11.573 -14.675 62 HG11 VAL 10 HG11 VAL 10 -30.872 11.394 -11.615 63 HG12 VAL 10 HG12 VAL 10 -30.965 10.014 -12.729 64 HG13 VAL 10 HG13 VAL 10 -29.505 10.985 -12.711 65 HG21 VAL 10 HG21 VAL 10 -33.196 12.384 -14.365 66 HG22 VAL 10 HG22 VAL 10 -32.935 10.733 -13.780 67 HG23 VAL 10 HG23 VAL 10 -33.020 12.106 -12.631 68 H CYS 11 H CYS 11 -29.528 13.960 -11.428 69 HA CYS 11 HA CYS 11 -26.751 13.691 -12.420 70 HB2 CYS 11 HB2 CYS 11 -26.136 15.831 -11.567 71 HB3 CYS 11 HB3 CYS 11 -27.551 16.116 -12.494 72 H SER 12 H SER 12 -25.109 13.215 -10.919 73 HA SER 12 HA SER 12 -25.885 11.736 -8.615 74 HB2 SER 12 HB2 SER 12 -23.232 12.477 -9.758 75 HB3 SER 12 HB3 SER 12 -23.634 11.109 -8.713 76 HG SER 12 HG SER 12 -23.402 10.405 -10.862 77 H LEU 13 H LEU 13 -24.386 11.761 -6.902 78 HA LEU 13 HA LEU 13 -25.032 13.948 -5.116 79 HB2 LEU 13 HB2 LEU 13 -23.109 11.543 -5.120 80 HB3 LEU 13 HB3 LEU 13 -23.612 12.388 -3.663 81 HG LEU 13 HG LEU 13 -25.309 11.021 -3.369 82 HD11 LEU 13 HD11 LEU 13 -26.483 11.523 -6.117 83 HD12 LEU 13 HD12 LEU 13 -27.262 10.786 -4.746 84 HD13 LEU 13 HD13 LEU 13 -26.783 12.491 -4.616 85 HD21 LEU 13 HD21 LEU 13 -23.896 9.355 -4.509 86 HD22 LEU 13 HD22 LEU 13 -25.603 9.022 -4.684 87 HD23 LEU 13 HD23 LEU 13 -24.671 9.757 -6.036 88 H TYR 14 H TYR 14 -21.978 12.816 -6.688 89 HA TYR 14 HA TYR 14 -20.332 14.815 -5.828 90 HB2 TYR 14 HB2 TYR 14 -20.920 13.441 -8.535 91 HB3 TYR 14 HB3 TYR 14 -19.325 14.139 -8.020 92 HD1 TYR 14 HD1 TYR 14 -18.482 13.401 -5.823 93 HD2 TYR 14 HD2 TYR 14 -21.276 11.275 -8.246 94 HE1 TYR 14 HE1 TYR 14 -17.884 11.295 -4.602 95 HE2 TYR 14 HE2 TYR 14 -20.987 9.278 -6.923 96 HH TYR 14 HH TYR 14 -18.469 9.035 -4.246 97 H GLN 15 H GLN 15 -22.589 15.119 -8.281 98 HA GLN 15 HA GLN 15 -21.734 17.733 -9.218 99 HB2 GLN 15 HB2 GLN 15 -24.345 16.282 -9.413 100 HB3 GLN 15 HB3 GLN 15 -23.892 17.641 -10.476 101 HG2 GLN 15 HG2 GLN 15 -21.866 16.139 -11.108 102 HG3 GLN 15 HG3 GLN 15 -22.812 14.838 -10.304 103 HE21 GLN 15 HE21 GLN 15 -24.170 16.331 -13.935 104 HE22 GLN 15 HE22 GLN 15 -23.273 17.370 -12.860 105 H LEU 16 H LEU 16 -24.195 16.466 -7.160 106 HA LEU 16 HA LEU 16 -25.224 18.879 -6.124 107 HB2 LEU 16 HB2 LEU 16 -25.274 15.905 -5.494 108 HB3 LEU 16 HB3 LEU 16 -26.252 16.985 -4.590 109 HG LEU 16 HG LEU 16 -26.300 16.566 -7.589 110 HD11 LEU 16 HD11 LEU 16 -26.895 14.614 -6.359 111 HD12 LEU 16 HD12 LEU 16 -28.094 15.516 -5.400 112 HD13 LEU 16 HD13 LEU 16 -28.329 15.294 -7.145 113 HD21 LEU 16 HD21 LEU 16 -27.125 18.746 -7.178 114 HD22 LEU 16 HD22 LEU 16 -28.564 17.754 -7.376 115 HD23 LEU 16 HD23 LEU 16 -28.086 18.209 -5.745 116 H GLU 17 H GLU 17 -22.625 16.975 -4.898 117 HA GLU 17 HA GLU 17 -22.200 18.294 -2.331 118 HB2 GLU 17 HB2 GLU 17 -20.667 16.461 -4.253 119 HB3 GLU 17 HB3 GLU 17 -19.933 16.983 -2.718 120 HG2 GLU 17 HG2 GLU 17 -21.771 16.113 -1.466 121 HG3 GLU 17 HG3 GLU 17 -22.639 15.801 -2.990 122 HE2 GLU 17 HE2 GLU 17 -21.333 12.541 -1.871 123 H ASN 18 H ASN 18 -20.833 18.513 -5.503 124 HA ASN 18 HA ASN 18 -18.372 19.067 -5.671 125 HB2 ASN 18 HB2 ASN 18 -20.833 20.183 -6.972 126 HB3 ASN 18 HB3 ASN 18 -19.477 21.142 -6.981 127 HD21 ASN 18 HD21 ASN 18 -17.206 19.248 -8.793 128 HD22 ASN 18 HD22 ASN 18 -17.472 20.231 -7.332 129 H TYR 19 H TYR 19 -20.367 21.801 -5.197 130 HA TYR 19 HA TYR 19 -18.549 23.811 -4.609 131 HB2 TYR 19 HB2 TYR 19 -21.448 23.239 -4.037 132 HB3 TYR 19 HB3 TYR 19 -20.705 24.769 -3.631 133 HD1 TYR 19 HD1 TYR 19 -19.177 25.731 -5.697 134 HD2 TYR 19 HD2 TYR 19 -22.201 22.682 -5.915 135 HE1 TYR 19 HE1 TYR 19 -18.457 25.121 -7.929 136 HE2 TYR 19 HE2 TYR 19 -21.603 22.118 -8.010 137 HH TYR 19 HH TYR 19 -18.732 23.855 -9.729 138 H CYS 20 H CYS 20 -20.751 22.512 -2.568 139 HA CYS 20 HA CYS 20 -20.290 23.557 -0.011 140 HB2 CYS 20 HB2 CYS 20 -22.345 22.765 -0.884 141 HB3 CYS 20 HB3 CYS 20 -21.698 21.140 -1.140 142 H ASN 21 H ASN 21 -18.891 20.593 -1.410 143 HA ASN 21 HA ASN 21 -18.503 18.991 0.802 144 HB2 ASN 21 HB2 ASN 21 -18.358 18.421 -1.609 145 HB3 ASN 21 HB3 ASN 21 -16.956 19.466 -1.789 146 HD21 ASN 21 HD21 ASN 21 -14.686 16.906 -0.770 147 HD22 ASN 21 HD22 ASN 21 -14.918 18.580 -1.309 148 H1 PHE 1 H1 PHE 1 -30.863 6.007 -3.043 149 H2 PHE 1 H2 PHE 1 -29.282 6.379 -2.774 150 H3 PHE 1 H3 PHE 1 -29.881 6.316 -4.300 151 HA PHE 1 HA PHE 1 -30.654 8.319 -2.223 152 HB2 PHE 1 HB2 PHE 1 -28.361 8.324 -3.883 153 HB3 PHE 1 HB3 PHE 1 -29.480 9.497 -4.568 154 HD1 PHE 1 HD1 PHE 1 -26.764 9.536 -2.868 155 HD2 PHE 1 HD2 PHE 1 -30.927 10.422 -2.072 156 HE1 PHE 1 HE1 PHE 1 -26.122 10.808 -0.814 157 HE2 PHE 1 HE2 PHE 1 -30.322 11.633 -0.103 158 HZ PHE 1 HZ PHE 1 -27.923 11.854 0.596 159 H VAL 2 H VAL 2 -31.307 10.297 -3.967 160 HA VAL 2 HA VAL 2 -34.091 9.408 -4.467 161 HB VAL 2 HB VAL 2 -32.740 11.593 -2.924 162 HG11 VAL 2 HG11 VAL 2 -35.775 11.449 -3.461 163 HG12 VAL 2 HG12 VAL 2 -35.002 12.520 -2.271 164 HG13 VAL 2 HG13 VAL 2 -34.643 12.752 -3.982 165 HG21 VAL 2 HG21 VAL 2 -34.018 10.765 -1.010 166 HG22 VAL 2 HG22 VAL 2 -34.776 9.506 -2.050 167 HG23 VAL 2 HG23 VAL 2 -33.055 9.484 -1.755 168 H ASN 3 H ASN 3 -31.846 11.960 -5.041 169 HA ASN 3 HA ASN 3 -33.558 13.533 -6.429 170 HB2 ASN 3 HB2 ASN 3 -30.609 13.621 -6.451 171 HB3 ASN 3 HB3 ASN 3 -31.761 14.945 -7.015 172 HD21 ASN 3 HD21 ASN 3 -30.314 13.145 -4.503 173 HD22 ASN 3 HD22 ASN 3 -31.229 13.726 -3.127 174 H GLN 4 H GLN 4 -33.646 14.413 -8.331 175 HA GLN 4 HA GLN 4 -34.016 12.358 -10.399 176 HB2 GLN 4 HB2 GLN 4 -36.338 12.571 -9.880 177 HB3 GLN 4 HB3 GLN 4 -35.372 12.298 -8.477 178 HG2 GLN 4 HG2 GLN 4 -35.521 14.748 -7.878 179 HG3 GLN 4 HG3 GLN 4 -36.704 14.907 -9.171 180 HE21 GLN 4 HE21 GLN 4 -37.755 12.601 -5.886 181 HE22 GLN 4 HE22 GLN 4 -36.089 12.516 -6.403 182 H HIS 5 H HIS 5 -36.192 13.948 -11.015 183 HA HIS 5 HA HIS 5 -35.314 14.628 -13.592 184 HB2 HIS 5 HB2 HIS 5 -37.891 14.804 -12.043 185 HB3 HIS 5 HB3 HIS 5 -37.802 15.132 -13.784 186 HD2 HIS 5 HD2 HIS 5 -38.401 12.572 -11.297 187 HE1 HIS 5 HE1 HIS 5 -35.228 12.296 -12.737 188 HE2 HIS 5 HE2 HIS 5 -36.623 10.739 -11.445 189 H LEU 6 H LEU 6 -36.597 16.423 -11.054 190 HA LEU 6 HA LEU 6 -37.014 18.789 -12.530 191 HB2 LEU 6 HB2 LEU 6 -37.883 17.671 -10.006 192 HB3 LEU 6 HB3 LEU 6 -37.484 19.353 -9.776 193 HG LEU 6 HG LEU 6 -39.955 18.369 -10.628 194 HD11 LEU 6 HD11 LEU 6 -39.567 20.276 -9.220 195 HD12 LEU 6 HD12 LEU 6 -38.868 21.189 -10.580 196 HD13 LEU 6 HD13 LEU 6 -40.579 20.724 -10.617 197 HD21 LEU 6 HD21 LEU 6 -39.172 18.360 -12.992 198 HD22 LEU 6 HD22 LEU 6 -40.426 19.559 -12.705 199 HD23 LEU 6 HD23 LEU 6 -38.704 20.090 -12.818 200 H CYS 7 H CYS 7 -36.997 20.839 -11.696 201 HA CYS 7 HA CYS 7 -34.222 21.852 -11.312 202 HB2 CYS 7 HB2 CYS 7 -35.632 21.822 -13.491 203 HB3 CYS 7 HB3 CYS 7 -36.645 22.963 -12.756 204 H GLY 8 H GLY 8 -34.499 24.451 -10.805 205 HA2 GLY 8 HA2 GLY 8 -35.027 26.028 -9.114 206 HA3 GLY 8 HA3 GLY 8 -36.383 25.006 -8.627 207 H SER 9 H SER 9 -35.585 25.759 -6.699 208 HA SER 9 HA SER 9 -33.241 24.843 -5.260 209 HB2 SER 9 HB2 SER 9 -34.216 26.034 -3.455 210 HB3 SER 9 HB3 SER 9 -34.372 26.939 -4.983 211 HG SER 9 HG SER 9 -36.335 27.079 -3.846 212 H HIS 10 H HIS 10 -34.277 22.969 -6.294 213 HA HIS 10 HA HIS 10 -34.652 20.910 -4.306 214 HB2 HIS 10 HB2 HIS 10 -36.197 21.895 -6.366 215 HB3 HIS 10 HB3 HIS 10 -35.045 21.066 -7.336 216 HD2 HIS 10 HD2 HIS 10 -36.750 20.176 -4.128 217 HE1 HIS 10 HE1 HIS 10 -37.878 16.996 -6.741 218 HE2 HIS 10 HE2 HIS 10 -38.097 17.856 -4.328 219 H LEU 11 H LEU 11 -32.841 21.857 -6.762 220 HA LEU 11 HA LEU 11 -30.970 20.143 -5.341 221 HB2 LEU 11 HB2 LEU 11 -29.272 20.246 -7.278 222 HB3 LEU 11 HB3 LEU 11 -30.832 19.590 -7.819 223 HG LEU 11 HG LEU 11 -29.562 21.389 -9.258 224 HD11 LEU 11 HD11 LEU 11 -32.564 21.492 -8.815 225 HD12 LEU 11 HD12 LEU 11 -31.703 22.115 -10.223 226 HD13 LEU 11 HD13 LEU 11 -31.686 20.390 -9.884 227 HD21 LEU 11 HD21 LEU 11 -30.428 23.692 -9.036 228 HD22 LEU 11 HD22 LEU 11 -31.218 23.254 -7.525 229 HD23 LEU 11 HD23 LEU 11 -29.457 23.217 -7.640 230 H VAL 12 H VAL 12 -32.036 22.222 -4.484 231 HA VAL 12 HA VAL 12 -29.744 22.856 -2.814 232 HB VAL 12 HB VAL 12 -32.511 23.946 -3.310 233 HG11 VAL 12 HG11 VAL 12 -30.680 24.842 -1.167 234 HG12 VAL 12 HG12 VAL 12 -32.148 25.766 -1.755 235 HG13 VAL 12 HG13 VAL 12 -32.365 24.121 -1.133 236 HG21 VAL 12 HG21 VAL 12 -30.997 24.558 -4.992 237 HG22 VAL 12 HG22 VAL 12 -31.440 26.040 -4.100 238 HG23 VAL 12 HG23 VAL 12 -29.864 25.242 -3.819 239 H GLU 13 H GLU 13 -33.053 21.841 -2.879 240 HA GLU 13 HA GLU 13 -32.487 20.317 -0.471 241 HB2 GLU 13 HB2 GLU 13 -34.959 20.743 -2.172 242 HB3 GLU 13 HB3 GLU 13 -35.036 19.915 -0.570 243 HG2 GLU 13 HG2 GLU 13 -34.266 22.794 -1.036 244 HG3 GLU 13 HG3 GLU 13 -35.857 22.285 -0.472 245 HE2 GLU 13 HE2 GLU 13 -33.897 23.218 2.433 246 H ALA 14 H ALA 14 -31.824 19.863 -3.216 247 HA ALA 14 HA ALA 14 -31.336 16.980 -2.376 248 HB1 ALA 14 HB1 ALA 14 -30.000 18.568 -4.530 249 HB2 ALA 14 HB2 ALA 14 -29.857 16.818 -4.288 250 HB3 ALA 14 HB3 ALA 14 -31.375 17.511 -4.896 251 H LEU 15 H LEU 15 -29.778 20.145 -2.713 252 HA LEU 15 HA LEU 15 -27.284 18.924 -2.164 253 HB2 LEU 15 HB2 LEU 15 -26.765 20.620 -3.437 254 HB3 LEU 15 HB3 LEU 15 -28.254 21.425 -3.153 255 HG LEU 15 HG LEU 15 -26.418 22.875 -2.738 256 HD11 LEU 15 HD11 LEU 15 -28.532 22.653 -1.023 257 HD12 LEU 15 HD12 LEU 15 -27.210 22.384 0.116 258 HD13 LEU 15 HD13 LEU 15 -27.205 23.848 -0.844 259 HD21 LEU 15 HD21 LEU 15 -24.710 21.239 -2.187 260 HD22 LEU 15 HD22 LEU 15 -24.801 22.490 -0.914 261 HD23 LEU 15 HD23 LEU 15 -25.544 20.912 -0.676 262 H TYR 16 H TYR 16 -29.351 20.855 -0.065 263 HA TYR 16 HA TYR 16 -27.848 20.694 2.285 264 HB2 TYR 16 HB2 TYR 16 -30.732 21.053 1.649 265 HB3 TYR 16 HB3 TYR 16 -30.161 20.768 3.306 266 HD1 TYR 16 HD1 TYR 16 -27.980 22.058 3.881 267 HD2 TYR 16 HD2 TYR 16 -30.930 23.170 1.001 268 HE1 TYR 16 HE1 TYR 16 -26.845 24.236 3.543 269 HE2 TYR 16 HE2 TYR 16 -29.939 25.334 0.742 270 HH TYR 16 HH TYR 16 -26.865 26.299 2.419 271 H LEU 17 H LEU 17 -29.683 18.213 0.830 272 HA LEU 17 HA LEU 17 -29.731 16.396 3.072 273 HB2 LEU 17 HB2 LEU 17 -30.903 16.326 0.247 274 HB3 LEU 17 HB3 LEU 17 -31.211 15.160 1.548 275 HG LEU 17 HG LEU 17 -32.017 18.046 1.306 276 HD11 LEU 17 HD11 LEU 17 -33.731 15.609 1.966 277 HD12 LEU 17 HD12 LEU 17 -34.277 17.225 1.451 278 HD13 LEU 17 HD13 LEU 17 -33.441 16.163 0.303 279 HD21 LEU 17 HD21 LEU 17 -33.155 17.831 3.551 280 HD22 LEU 17 HD22 LEU 17 -32.221 16.346 3.798 281 HD23 LEU 17 HD23 LEU 17 -31.392 17.899 3.625 282 H VAL 18 H VAL 18 -27.938 16.801 0.252 283 HA VAL 18 HA VAL 18 -26.692 14.138 0.163 284 HB VAL 18 HB VAL 18 -26.644 16.749 -1.324 285 HG11 VAL 18 HG11 VAL 18 -24.729 14.468 -1.769 286 HG12 VAL 18 HG12 VAL 18 -25.195 15.636 -3.036 287 HG13 VAL 18 HG13 VAL 18 -24.481 16.245 -1.530 288 HG21 VAL 18 HG21 VAL 18 -28.478 15.186 -1.529 289 HG22 VAL 18 HG22 VAL 18 -27.674 15.500 -3.071 290 HG23 VAL 18 HG23 VAL 18 -27.393 13.957 -2.162 291 H CYS 19 H CYS 19 -25.612 17.347 0.431 292 HA CYS 19 HA CYS 19 -22.837 16.734 0.981 293 HB2 CYS 19 HB2 CYS 19 -23.842 18.656 -0.233 294 HB3 CYS 19 HB3 CYS 19 -24.443 19.274 1.297 295 H GLY 20 H GLY 20 -25.516 17.778 2.854 296 HA2 GLY 20 HA2 GLY 20 -26.269 17.256 5.039 297 HA3 GLY 20 HA3 GLY 20 -24.896 16.154 5.080 298 H GLU 21 H GLU 21 -22.912 16.912 5.683 299 HA GLU 21 HA GLU 21 -22.855 17.401 8.369 300 HB2 GLU 21 HB2 GLU 21 -20.878 17.671 6.072 301 HB3 GLU 21 HB3 GLU 21 -20.380 17.824 7.714 302 HG2 GLU 21 HG2 GLU 21 -21.703 15.390 6.481 303 HG3 GLU 21 HG3 GLU 21 -19.951 15.629 6.652 304 HE2 GLU 21 HE2 GLU 21 -19.856 14.775 9.992 305 H ARG 22 H ARG 22 -21.338 19.392 6.185 306 HA ARG 22 HA ARG 22 -20.352 21.657 7.335 307 HB2 ARG 22 HB2 ARG 22 -21.642 21.152 4.649 308 HB3 ARG 22 HB3 ARG 22 -20.559 22.518 4.927 309 HG2 ARG 22 HG2 ARG 22 -18.742 21.212 4.552 310 HG3 ARG 22 HG3 ARG 22 -19.235 20.092 5.811 311 HD2 ARG 22 HD2 ARG 22 -20.766 18.935 4.227 312 HD3 ARG 22 HD3 ARG 22 -20.305 20.133 2.970 313 HE ARG 22 HE ARG 22 -17.951 19.325 3.200 314 HH11 ARG 22 HH11 ARG 22 -20.613 17.047 3.543 315 HH12 ARG 22 HH12 ARG 22 -19.572 15.680 3.277 316 HH21 ARG 22 HH21 ARG 22 -16.812 17.711 2.560 317 HH22 ARG 22 HH22 ARG 22 -17.436 16.072 2.572 318 H GLY 23 H GLY 23 -20.861 23.835 6.588 319 HA2 GLY 23 HA2 GLY 23 -23.686 24.573 6.477 320 HA3 GLY 23 HA3 GLY 23 -22.686 25.547 7.524 321 H PHE 24 H PHE 24 -23.969 25.331 4.772 322 HA PHE 24 HA PHE 24 -22.136 24.636 3.010 323 HB2 PHE 24 HB2 PHE 24 -24.996 25.516 2.833 324 HB3 PHE 24 HB3 PHE 24 -24.132 24.994 1.385 325 HD1 PHE 24 HD1 PHE 24 -23.199 23.465 4.624 326 HD2 PHE 24 HD2 PHE 24 -25.396 23.208 0.941 327 HE1 PHE 24 HE1 PHE 24 -23.791 21.244 5.143 328 HE2 PHE 24 HE2 PHE 24 -26.025 20.977 1.452 329 HZ PHE 24 HZ PHE 24 -25.422 19.931 3.677 330 H PHE 25 H PHE 25 -21.522 25.453 0.824 331 HA PHE 25 HA PHE 25 -20.473 27.941 0.378 332 HB2 PHE 25 HB2 PHE 25 -20.013 25.625 -0.553 333 HB3 PHE 25 HB3 PHE 25 -21.501 25.739 -1.472 334 HD1 PHE 25 HD1 PHE 25 -18.567 27.788 -0.647 335 HD2 PHE 25 HD2 PHE 25 -21.636 26.781 -3.480 336 HE1 PHE 25 HE1 PHE 25 -17.632 29.430 -2.182 337 HE2 PHE 25 HE2 PHE 25 -20.595 28.306 -5.137 338 HZ PHE 25 HZ PHE 25 -18.593 29.706 -4.543 339 H TYR 26 H TYR 26 -23.170 26.356 -0.553 340 HA TYR 26 HA TYR 26 -23.416 27.559 -2.914 341 HB2 TYR 26 HB2 TYR 26 -23.515 25.415 -2.696 342 HB3 TYR 26 HB3 TYR 26 -25.057 25.404 -1.693 343 HD1 TYR 26 HD1 TYR 26 -23.462 26.353 -4.834 344 HD2 TYR 26 HD2 TYR 26 -27.120 25.183 -2.925 345 HE1 TYR 26 HE1 TYR 26 -24.500 26.132 -7.009 346 HE2 TYR 26 HE2 TYR 26 -28.186 24.886 -5.098 347 HH TYR 26 HH TYR 26 -26.538 25.816 -8.204 348 H THR 27 H THR 27 -24.907 28.013 -4.204 349 HA THR 27 HA THR 27 -24.936 30.684 -3.319 350 HB THR 27 HB THR 27 -24.395 31.148 -5.604 351 HG1 THR 27 HG1 THR 27 -24.368 29.517 -7.139 352 HG21 THR 27 HG21 THR 27 -22.909 28.594 -4.722 353 HG22 THR 27 HG22 THR 27 -22.298 29.858 -5.754 354 HG23 THR 27 HG23 THR 27 -22.655 30.195 -4.049 355 HA PRO 28 HA PRO 28 -29.244 31.230 -5.408 356 HB2 PRO 28 HB2 PRO 28 -30.594 28.838 -4.156 357 HB3 PRO 28 HB3 PRO 28 -30.975 29.705 -5.700 358 HG2 PRO 28 HG2 PRO 28 -29.652 27.320 -5.665 359 HG3 PRO 28 HG3 PRO 28 -29.083 28.617 -6.764 360 HD2 PRO 28 HD2 PRO 28 -28.014 27.881 -4.025 361 HD3 PRO 28 HD3 PRO 28 -27.125 28.171 -5.545 362 H LYS 29 H LYS 29 -28.273 30.120 -2.277 363 HA LYS 29 HA LYS 29 -30.422 31.444 -0.767 364 HB2 LYS 29 HB2 LYS 29 -29.574 29.234 -0.118 365 HB3 LYS 29 HB3 LYS 29 -27.945 29.854 0.064 366 HG2 LYS 29 HG2 LYS 29 -28.721 31.269 1.937 367 HG3 LYS 29 HG3 LYS 29 -30.403 30.715 1.664 368 HD2 LYS 29 HD2 LYS 29 -29.623 28.362 2.105 369 HD3 LYS 29 HD3 LYS 29 -28.013 29.012 2.519 370 HE2 LYS 29 HE2 LYS 29 -30.629 29.636 3.946 371 HE3 LYS 29 HE3 LYS 29 -29.445 28.475 4.509 372 HZ1 LYS 29 HZ1 LYS 29 -29.226 30.626 5.598 373 HZ2 LYS 29 HZ2 LYS 29 -27.859 30.330 4.709 374 HZ3 LYS 29 HZ3 LYS 29 -28.985 31.392 4.196 375 H ALA 30 H ALA 30 -30.180 33.257 0.407 376 HA ALA 30 HA ALA 30 -29.554 35.389 0.923 377 HB1 ALA 30 HB1 ALA 30 -26.993 33.946 1.630 378 HB2 ALA 30 HB2 ALA 30 -27.537 35.522 2.293 379 HB3 ALA 30 HB3 ALA 30 -28.444 34.057 2.646 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -20.895 21.851 -9.762 2 H2 GLY 1 H2 GLY 1 -21.403 21.085 -11.113 3 H3 GLY 1 H3 GLY 1 -21.213 20.225 -9.730 4 HA2 GLY 1 HA2 GLY 1 -23.583 20.631 -10.109 5 HA3 GLY 1 HA3 GLY 1 -22.941 21.316 -8.613 6 H ILE 2 H ILE 2 -24.740 24.138 -9.842 7 HA ILE 2 HA ILE 2 -25.457 21.465 -9.133 8 HB ILE 2 HB ILE 2 -24.476 23.259 -7.663 9 HG12 ILE 2 HG12 ILE 2 -25.894 23.014 -5.736 10 HG13 ILE 2 HG13 ILE 2 -27.268 22.501 -6.693 11 HG21 ILE 2 HG21 ILE 2 -25.011 25.172 -7.130 12 HG22 ILE 2 HG22 ILE 2 -25.841 25.148 -8.794 13 HG23 ILE 2 HG23 ILE 2 -26.772 24.926 -7.246 14 HD11 ILE 2 HD11 ILE 2 -26.281 20.428 -7.106 15 HD12 ILE 2 HD12 ILE 2 -24.659 21.102 -7.203 16 HD13 ILE 2 HD13 ILE 2 -25.334 20.808 -5.607 17 H VAL 3 H VAL 3 -26.721 24.125 -10.839 18 HA VAL 3 HA VAL 3 -29.319 23.776 -9.674 19 HB VAL 3 HB VAL 3 -28.216 25.630 -11.697 20 HG11 VAL 3 HG11 VAL 3 -30.376 26.984 -11.560 21 HG12 VAL 3 HG12 VAL 3 -30.645 25.436 -12.328 22 HG13 VAL 3 HG13 VAL 3 -31.114 25.681 -10.604 23 HG21 VAL 3 HG21 VAL 3 -27.670 26.142 -9.364 24 HG22 VAL 3 HG22 VAL 3 -28.732 27.366 -9.990 25 HG23 VAL 3 HG23 VAL 3 -29.388 26.121 -8.874 26 H GLU 4 H GLU 4 -28.098 23.648 -12.533 27 HA GLU 4 HA GLU 4 -30.293 23.070 -14.085 28 HB2 GLU 4 HB2 GLU 4 -28.718 24.496 -15.632 29 HB3 GLU 4 HB3 GLU 4 -29.219 25.176 -14.020 30 HG2 GLU 4 HG2 GLU 4 -26.893 24.615 -13.124 31 HG3 GLU 4 HG3 GLU 4 -26.452 24.157 -14.799 32 HE2 GLU 4 HE2 GLU 4 -26.307 27.911 -13.729 33 H GLN 5 H GLN 5 -27.188 22.493 -14.195 34 HA GLN 5 HA GLN 5 -26.115 20.271 -15.041 35 HB2 GLN 5 HB2 GLN 5 -26.989 21.212 -12.314 36 HB3 GLN 5 HB3 GLN 5 -25.829 19.953 -12.458 37 HG2 GLN 5 HG2 GLN 5 -25.186 22.469 -14.054 38 HG3 GLN 5 HG3 GLN 5 -25.247 22.677 -12.327 39 HE21 GLN 5 HE21 GLN 5 -21.799 21.645 -13.720 40 HE22 GLN 5 HE22 GLN 5 -22.945 22.899 -14.152 41 H CYS 6 H CYS 6 -28.875 20.407 -12.794 42 HA CYS 6 HA CYS 6 -29.622 17.605 -13.122 43 HB2 CYS 6 HB2 CYS 6 -30.365 19.915 -11.364 44 HB3 CYS 6 HB3 CYS 6 -31.067 18.294 -11.141 45 H CYS 7 H CYS 7 -30.882 20.800 -13.661 46 HA CYS 7 HA CYS 7 -33.616 20.198 -14.006 47 HB2 CYS 7 HB2 CYS 7 -32.304 22.341 -13.592 48 HB3 CYS 7 HB3 CYS 7 -31.821 22.297 -15.261 49 H ALA 8 H ALA 8 -30.960 20.276 -16.428 50 HA ALA 8 HA ALA 8 -32.441 18.583 -18.358 51 HB1 ALA 8 HB1 ALA 8 -29.705 19.855 -18.210 52 HB2 ALA 8 HB2 ALA 8 -30.184 18.690 -19.480 53 HB3 ALA 8 HB3 ALA 8 -30.981 20.287 -19.338 54 H SER 9 H SER 9 -32.203 16.399 -18.296 55 HA SER 9 HA SER 9 -32.097 15.383 -15.686 56 HB2 SER 9 HB2 SER 9 -33.449 14.917 -17.770 57 HB3 SER 9 HB3 SER 9 -32.114 13.905 -18.194 58 HG SER 9 HG SER 9 -33.866 12.841 -17.104 59 H VAL 10 H VAL 10 -31.540 13.074 -16.080 60 HA VAL 10 HA VAL 10 -31.134 13.760 -13.987 61 HB VAL 10 HB VAL 10 -32.218 11.806 -14.677 62 HG11 VAL 10 HG11 VAL 10 -29.528 10.444 -14.868 63 HG12 VAL 10 HG12 VAL 10 -31.121 9.623 -14.936 64 HG13 VAL 10 HG13 VAL 10 -30.677 10.857 -16.140 65 HG21 VAL 10 HG21 VAL 10 -30.446 11.286 -12.312 66 HG22 VAL 10 HG22 VAL 10 -32.081 12.080 -12.390 67 HG23 VAL 10 HG23 VAL 10 -31.900 10.331 -12.790 68 H CYS 11 H CYS 11 -29.833 14.233 -12.300 69 HA CYS 11 HA CYS 11 -26.880 14.091 -12.810 70 HB2 CYS 11 HB2 CYS 11 -26.774 16.064 -11.398 71 HB3 CYS 11 HB3 CYS 11 -27.942 16.319 -12.674 72 H SER 12 H SER 12 -25.302 13.327 -11.414 73 HA SER 12 HA SER 12 -25.866 11.562 -9.382 74 HB2 SER 12 HB2 SER 12 -23.419 13.050 -9.896 75 HB3 SER 12 HB3 SER 12 -23.612 11.343 -9.566 76 HG SER 12 HG SER 12 -22.908 11.613 -11.738 77 H LEU 13 H LEU 13 -24.533 11.656 -7.655 78 HA LEU 13 HA LEU 13 -25.136 13.676 -5.530 79 HB2 LEU 13 HB2 LEU 13 -23.077 11.453 -6.099 80 HB3 LEU 13 HB3 LEU 13 -23.487 12.031 -4.520 81 HG LEU 13 HG LEU 13 -25.822 10.757 -5.975 82 HD11 LEU 13 HD11 LEU 13 -23.461 9.106 -5.147 83 HD12 LEU 13 HD12 LEU 13 -25.061 8.572 -5.711 84 HD13 LEU 13 HD13 LEU 13 -24.040 9.486 -6.810 85 HD21 LEU 13 HD21 LEU 13 -26.406 10.146 -3.861 86 HD22 LEU 13 HD22 LEU 13 -24.746 10.449 -3.191 87 HD23 LEU 13 HD23 LEU 13 -25.800 11.765 -3.757 88 H TYR 14 H TYR 14 -22.277 12.748 -7.667 89 HA TYR 14 HA TYR 14 -21.121 15.012 -6.603 90 HB2 TYR 14 HB2 TYR 14 -20.884 13.312 -9.244 91 HB3 TYR 14 HB3 TYR 14 -19.481 14.043 -8.300 92 HD1 TYR 14 HD1 TYR 14 -19.410 13.556 -5.984 93 HD2 TYR 14 HD2 TYR 14 -21.201 11.168 -8.996 94 HE1 TYR 14 HE1 TYR 14 -19.370 11.594 -4.416 95 HE2 TYR 14 HE2 TYR 14 -21.576 9.410 -7.435 96 HH TYR 14 HH TYR 14 -20.128 9.446 -4.040 97 H GLN 15 H GLN 15 -23.198 15.198 -8.689 98 HA GLN 15 HA GLN 15 -22.401 17.953 -9.596 99 HB2 GLN 15 HB2 GLN 15 -24.909 16.389 -9.665 100 HB3 GLN 15 HB3 GLN 15 -24.715 17.970 -10.503 101 HG2 GLN 15 HG2 GLN 15 -22.609 16.531 -11.472 102 HG3 GLN 15 HG3 GLN 15 -23.663 15.232 -10.941 103 HE21 GLN 15 HE21 GLN 15 -24.809 17.543 -14.223 104 HE22 GLN 15 HE22 GLN 15 -23.928 18.345 -12.921 105 H LEU 16 H LEU 16 -24.639 16.408 -7.558 106 HA LEU 16 HA LEU 16 -25.690 18.545 -6.047 107 HB2 LEU 16 HB2 LEU 16 -25.560 15.560 -6.048 108 HB3 LEU 16 HB3 LEU 16 -26.478 16.246 -4.862 109 HG LEU 16 HG LEU 16 -26.737 16.423 -7.920 110 HD11 LEU 16 HD11 LEU 16 -28.581 15.246 -5.876 111 HD12 LEU 16 HD12 LEU 16 -28.748 15.165 -7.674 112 HD13 LEU 16 HD13 LEU 16 -27.341 14.398 -6.874 113 HD21 LEU 16 HD21 LEU 16 -28.848 17.610 -7.574 114 HD22 LEU 16 HD22 LEU 16 -28.221 18.077 -5.964 115 HD23 LEU 16 HD23 LEU 16 -27.322 18.483 -7.449 116 H GLU 17 H GLU 17 -23.653 16.186 -4.704 117 HA GLU 17 HA GLU 17 -23.202 17.154 -2.015 118 HB2 GLU 17 HB2 GLU 17 -21.635 15.455 -4.084 119 HB3 GLU 17 HB3 GLU 17 -21.201 15.562 -2.331 120 HG2 GLU 17 HG2 GLU 17 -23.722 14.898 -1.987 121 HG3 GLU 17 HG3 GLU 17 -23.568 14.445 -3.680 122 HE2 GLU 17 HE2 GLU 17 -22.750 11.627 -1.292 123 H ASN 18 H ASN 18 -21.655 17.401 -5.037 124 HA ASN 18 HA ASN 18 -19.031 17.901 -4.809 125 HB2 ASN 18 HB2 ASN 18 -20.690 17.789 -6.756 126 HB3 ASN 18 HB3 ASN 18 -21.166 19.160 -6.425 127 HD21 ASN 18 HD21 ASN 18 -17.701 18.123 -8.165 128 HD22 ASN 18 HD22 ASN 18 -18.645 17.486 -6.806 129 H TYR 19 H TYR 19 -21.386 20.202 -4.689 130 HA TYR 19 HA TYR 19 -20.526 22.610 -4.862 131 HB2 TYR 19 HB2 TYR 19 -22.809 21.233 -3.718 132 HB3 TYR 19 HB3 TYR 19 -22.634 22.917 -3.217 133 HD1 TYR 19 HD1 TYR 19 -23.678 24.615 -5.326 134 HD2 TYR 19 HD2 TYR 19 -22.670 20.507 -5.771 135 HE1 TYR 19 HE1 TYR 19 -22.751 24.993 -7.503 136 HE2 TYR 19 HE2 TYR 19 -20.834 21.153 -6.783 137 HH TYR 19 HH TYR 19 -20.599 24.441 -8.651 138 H CYS 20 H CYS 20 -21.479 21.187 -2.117 139 HA CYS 20 HA CYS 20 -21.606 23.144 -0.175 140 HB2 CYS 20 HB2 CYS 20 -22.719 20.962 -0.368 141 HB3 CYS 20 HB3 CYS 20 -21.229 20.090 -0.128 142 H ASN 21 H ASN 21 -19.998 24.387 0.559 143 HA ASN 21 HA ASN 21 -17.364 23.720 1.282 144 HB2 ASN 21 HB2 ASN 21 -18.294 25.855 0.375 145 HB3 ASN 21 HB3 ASN 21 -19.315 26.027 1.774 146 HD21 ASN 21 HD21 ASN 21 -16.899 27.542 3.846 147 HD22 ASN 21 HD22 ASN 21 -18.561 27.005 3.612 148 H1 PHE 1 H1 PHE 1 -32.447 6.047 -6.487 149 H2 PHE 1 H2 PHE 1 -31.199 5.214 -7.152 150 H3 PHE 1 H3 PHE 1 -31.575 6.668 -7.730 151 HA PHE 1 HA PHE 1 -30.485 6.108 -5.025 152 HB2 PHE 1 HB2 PHE 1 -28.941 6.123 -7.153 153 HB3 PHE 1 HB3 PHE 1 -28.964 7.913 -6.863 154 HD1 PHE 1 HD1 PHE 1 -27.191 8.699 -5.262 155 HD2 PHE 1 HD2 PHE 1 -28.988 4.718 -5.154 156 HE1 PHE 1 HE1 PHE 1 -26.064 8.152 -3.130 157 HE2 PHE 1 HE2 PHE 1 -28.050 4.339 -2.991 158 HZ PHE 1 HZ PHE 1 -26.500 6.050 -1.941 159 H VAL 2 H VAL 2 -29.348 8.682 -4.907 160 HA VAL 2 HA VAL 2 -31.386 10.563 -4.029 161 HB VAL 2 HB VAL 2 -28.461 10.574 -4.722 162 HG11 VAL 2 HG11 VAL 2 -29.158 12.998 -5.010 163 HG12 VAL 2 HG12 VAL 2 -29.946 12.967 -3.444 164 HG13 VAL 2 HG13 VAL 2 -28.176 12.834 -3.577 165 HG21 VAL 2 HG21 VAL 2 -29.024 9.394 -2.661 166 HG22 VAL 2 HG22 VAL 2 -28.244 10.927 -2.216 167 HG23 VAL 2 HG23 VAL 2 -30.001 10.727 -2.061 168 H ASN 3 H ASN 3 -29.563 9.863 -6.732 169 HA ASN 3 HA ASN 3 -29.584 12.099 -8.379 170 HB2 ASN 3 HB2 ASN 3 -29.716 9.219 -8.911 171 HB3 ASN 3 HB3 ASN 3 -29.872 10.417 -10.321 172 HD21 ASN 3 HD21 ASN 3 -28.021 10.788 -7.642 173 HD22 ASN 3 HD22 ASN 3 -27.644 9.192 -7.750 174 H GLN 4 H GLN 4 -30.802 13.134 -9.640 175 HA GLN 4 HA GLN 4 -33.615 12.613 -10.230 176 HB2 GLN 4 HB2 GLN 4 -34.475 14.014 -8.604 177 HB3 GLN 4 HB3 GLN 4 -33.167 13.195 -7.836 178 HG2 GLN 4 HG2 GLN 4 -31.687 15.227 -8.337 179 HG3 GLN 4 HG3 GLN 4 -33.211 16.028 -8.760 180 HE21 GLN 4 HE21 GLN 4 -32.524 15.098 -4.780 181 HE22 GLN 4 HE22 GLN 4 -31.824 14.018 -5.983 182 H HIS 5 H HIS 5 -34.373 14.682 -10.272 183 HA HIS 5 HA HIS 5 -34.202 15.075 -13.101 184 HB2 HIS 5 HB2 HIS 5 -36.080 14.534 -10.893 185 HB3 HIS 5 HB3 HIS 5 -36.795 15.542 -12.057 186 HD2 HIS 5 HD2 HIS 5 -35.967 14.554 -14.674 187 HE1 HIS 5 HE1 HIS 5 -34.163 12.926 -12.357 188 HE2 HIS 5 HE2 HIS 5 -34.220 12.742 -14.829 189 H LEU 6 H LEU 6 -35.219 16.711 -10.433 190 HA LEU 6 HA LEU 6 -36.171 18.956 -11.553 191 HB2 LEU 6 HB2 LEU 6 -35.959 17.998 -8.885 192 HB3 LEU 6 HB3 LEU 6 -35.492 19.694 -8.901 193 HG LEU 6 HG LEU 6 -38.112 18.582 -8.827 194 HD11 LEU 6 HD11 LEU 6 -37.141 21.457 -9.091 195 HD12 LEU 6 HD12 LEU 6 -38.730 20.948 -8.474 196 HD13 LEU 6 HD13 LEU 6 -37.282 20.524 -7.560 197 HD21 LEU 6 HD21 LEU 6 -38.321 18.671 -11.286 198 HD22 LEU 6 HD22 LEU 6 -39.336 19.874 -10.465 199 HD23 LEU 6 HD23 LEU 6 -37.841 20.392 -11.253 200 H CYS 7 H CYS 7 -35.921 21.084 -10.710 201 HA CYS 7 HA CYS 7 -33.433 22.338 -11.798 202 HB2 CYS 7 HB2 CYS 7 -36.427 22.870 -11.660 203 HB3 CYS 7 HB3 CYS 7 -35.252 24.038 -12.240 204 H GLY 8 H GLY 8 -33.158 24.583 -10.923 205 HA2 GLY 8 HA2 GLY 8 -33.291 26.300 -9.219 206 HA3 GLY 8 HA3 GLY 8 -34.500 25.313 -8.458 207 H SER 9 H SER 9 -33.642 26.243 -6.830 208 HA SER 9 HA SER 9 -31.321 25.043 -5.382 209 HB2 SER 9 HB2 SER 9 -32.921 27.585 -5.152 210 HB3 SER 9 HB3 SER 9 -31.665 27.160 -3.937 211 HG SER 9 HG SER 9 -30.946 28.716 -5.569 212 H HIS 10 H HIS 10 -33.508 24.003 -5.896 213 HA HIS 10 HA HIS 10 -34.292 23.032 -3.321 214 HB2 HIS 10 HB2 HIS 10 -35.513 24.035 -5.665 215 HB3 HIS 10 HB3 HIS 10 -35.220 22.432 -6.186 216 HD2 HIS 10 HD2 HIS 10 -36.289 23.930 -2.921 217 HE1 HIS 10 HE1 HIS 10 -39.660 21.568 -3.963 218 HE2 HIS 10 HE2 HIS 10 -38.708 23.025 -2.153 219 H LEU 11 H LEU 11 -32.928 22.028 -5.794 220 HA LEU 11 HA LEU 11 -31.762 20.587 -3.679 221 HB2 LEU 11 HB2 LEU 11 -30.695 18.726 -5.278 222 HB3 LEU 11 HB3 LEU 11 -32.449 18.798 -5.292 223 HG LEU 11 HG LEU 11 -31.155 18.572 -7.559 224 HD11 LEU 11 HD11 LEU 11 -33.653 18.825 -7.247 225 HD12 LEU 11 HD12 LEU 11 -33.467 20.579 -7.403 226 HD13 LEU 11 HD13 LEU 11 -33.015 19.514 -8.731 227 HD21 LEU 11 HD21 LEU 11 -29.760 20.713 -7.293 228 HD22 LEU 11 HD22 LEU 11 -30.779 20.686 -8.717 229 HD23 LEU 11 HD23 LEU 11 -31.313 21.584 -7.310 230 H VAL 12 H VAL 12 -31.520 22.960 -4.051 231 HA VAL 12 HA VAL 12 -29.078 22.365 -2.596 232 HB VAL 12 HB VAL 12 -30.688 24.744 -3.292 233 HG11 VAL 12 HG11 VAL 12 -28.585 24.872 -1.275 234 HG12 VAL 12 HG12 VAL 12 -29.123 26.301 -2.227 235 HG13 VAL 12 HG13 VAL 12 -30.351 25.318 -1.377 236 HG21 VAL 12 HG21 VAL 12 -29.497 24.124 -5.150 237 HG22 VAL 12 HG22 VAL 12 -28.779 25.661 -4.627 238 HG23 VAL 12 HG23 VAL 12 -27.911 24.156 -4.297 239 H GLU 13 H GLU 13 -32.317 23.520 -2.404 240 HA GLU 13 HA GLU 13 -32.196 22.443 0.276 241 HB2 GLU 13 HB2 GLU 13 -34.337 23.792 -1.384 242 HB3 GLU 13 HB3 GLU 13 -34.688 23.460 0.365 243 HG2 GLU 13 HG2 GLU 13 -32.788 25.022 0.916 244 HG3 GLU 13 HG3 GLU 13 -32.549 25.309 -0.831 245 HE2 GLU 13 HE2 GLU 13 -34.519 28.085 0.374 246 H ALA 14 H ALA 14 -32.215 21.180 -1.864 247 HA ALA 14 HA ALA 14 -32.778 18.801 -0.077 248 HB1 ALA 14 HB1 ALA 14 -31.442 18.817 -2.774 249 HB2 ALA 14 HB2 ALA 14 -32.057 17.324 -1.954 250 HB3 ALA 14 HB3 ALA 14 -33.214 18.457 -2.666 251 H LEU 15 H LEU 15 -30.132 20.549 -1.689 252 HA LEU 15 HA LEU 15 -28.374 18.508 -0.749 253 HB2 LEU 15 HB2 LEU 15 -27.107 19.228 -2.393 254 HB3 LEU 15 HB3 LEU 15 -28.275 20.442 -2.726 255 HG LEU 15 HG LEU 15 -26.222 21.523 -2.758 256 HD11 LEU 15 HD11 LEU 15 -26.695 22.366 0.064 257 HD12 LEU 15 HD12 LEU 15 -26.762 23.331 -1.417 258 HD13 LEU 15 HD13 LEU 15 -28.089 22.256 -0.923 259 HD21 LEU 15 HD21 LEU 15 -25.792 20.260 -0.118 260 HD22 LEU 15 HD22 LEU 15 -24.876 19.888 -1.614 261 HD23 LEU 15 HD23 LEU 15 -24.726 21.484 -0.779 262 H TYR 16 H TYR 16 -29.283 21.562 0.517 263 HA TYR 16 HA TYR 16 -27.656 22.057 2.738 264 HB2 TYR 16 HB2 TYR 16 -29.443 23.137 1.610 265 HB3 TYR 16 HB3 TYR 16 -30.620 22.248 2.338 266 HD1 TYR 16 HD1 TYR 16 -31.249 24.417 2.534 267 HD2 TYR 16 HD2 TYR 16 -27.678 23.333 4.484 268 HE1 TYR 16 HE1 TYR 16 -29.898 25.180 0.918 269 HE2 TYR 16 HE2 TYR 16 -26.403 24.811 3.021 270 HH TYR 16 HH TYR 16 -28.030 26.670 0.390 271 H LEU 17 H LEU 17 -30.221 19.907 2.297 272 HA LEU 17 HA LEU 17 -30.549 18.966 5.001 273 HB2 LEU 17 HB2 LEU 17 -31.996 18.567 2.332 274 HB3 LEU 17 HB3 LEU 17 -32.531 17.942 3.908 275 HG LEU 17 HG LEU 17 -32.283 20.796 2.950 276 HD11 LEU 17 HD11 LEU 17 -34.725 19.222 3.933 277 HD12 LEU 17 HD12 LEU 17 -34.728 20.853 3.211 278 HD13 LEU 17 HD13 LEU 17 -34.308 19.471 2.224 279 HD21 LEU 17 HD21 LEU 17 -31.716 20.854 5.313 280 HD22 LEU 17 HD22 LEU 17 -33.356 21.486 5.115 281 HD23 LEU 17 HD23 LEU 17 -33.107 19.841 5.728 282 H VAL 18 H VAL 18 -29.018 17.935 2.334 283 HA VAL 18 HA VAL 18 -28.609 15.134 3.033 284 HB VAL 18 HB VAL 18 -27.940 17.050 0.832 285 HG11 VAL 18 HG11 VAL 18 -26.784 14.315 1.181 286 HG12 VAL 18 HG12 VAL 18 -27.016 15.160 -0.398 287 HG13 VAL 18 HG13 VAL 18 -26.035 15.931 0.855 288 HG21 VAL 18 HG21 VAL 18 -30.112 16.111 1.186 289 HG22 VAL 18 HG22 VAL 18 -29.439 15.697 -0.422 290 HG23 VAL 18 HG23 VAL 18 -29.503 14.476 0.870 291 H CYS 19 H CYS 19 -26.659 17.742 2.299 292 HA CYS 19 HA CYS 19 -24.141 16.604 2.993 293 HB2 CYS 19 HB2 CYS 19 -24.787 18.263 1.204 294 HB3 CYS 19 HB3 CYS 19 -24.959 19.476 2.438 295 H GLY 20 H GLY 20 -26.194 18.928 4.431 296 HA2 GLY 20 HA2 GLY 20 -26.785 19.153 6.719 297 HA3 GLY 20 HA3 GLY 20 -25.602 17.908 7.046 298 H GLU 21 H GLU 21 -23.532 18.383 7.602 299 HA GLU 21 HA GLU 21 -23.287 19.846 9.864 300 HB2 GLU 21 HB2 GLU 21 -21.483 18.632 7.752 301 HB3 GLU 21 HB3 GLU 21 -20.855 19.260 9.195 302 HG2 GLU 21 HG2 GLU 21 -22.864 17.044 8.983 303 HG3 GLU 21 HG3 GLU 21 -21.119 16.857 9.106 304 HE2 GLU 21 HE2 GLU 21 -22.595 16.563 12.513 305 H ARG 22 H ARG 22 -21.393 20.358 7.328 306 HA ARG 22 HA ARG 22 -20.032 22.737 6.992 307 HB2 ARG 22 HB2 ARG 22 -21.950 21.184 5.328 308 HB3 ARG 22 HB3 ARG 22 -20.884 22.373 4.617 309 HG2 ARG 22 HG2 ARG 22 -19.107 20.925 4.689 310 HG3 ARG 22 HG3 ARG 22 -19.427 20.490 6.373 311 HD2 ARG 22 HD2 ARG 22 -21.262 19.001 5.635 312 HD3 ARG 22 HD3 ARG 22 -20.895 19.383 3.947 313 HE ARG 22 HE ARG 22 -18.482 18.525 4.975 314 HH11 ARG 22 HH11 ARG 22 -21.618 16.970 4.988 315 HH12 ARG 22 HH12 ARG 22 -20.884 15.372 4.924 316 HH21 ARG 22 HH21 ARG 22 -17.683 16.508 4.624 317 HH22 ARG 22 HH22 ARG 22 -18.715 15.121 4.620 318 H GLY 23 H GLY 23 -20.515 24.412 5.392 319 HA2 GLY 23 HA2 GLY 23 -22.995 25.790 5.754 320 HA3 GLY 23 HA3 GLY 23 -21.688 26.654 6.533 321 H PHE 24 H PHE 24 -23.255 25.815 4.006 322 HA PHE 24 HA PHE 24 -21.788 24.969 2.287 323 HB2 PHE 24 HB2 PHE 24 -24.601 25.796 2.201 324 HB3 PHE 24 HB3 PHE 24 -23.857 24.998 0.761 325 HD1 PHE 24 HD1 PHE 24 -22.750 24.232 4.174 326 HD2 PHE 24 HD2 PHE 24 -24.825 23.051 0.618 327 HE1 PHE 24 HE1 PHE 24 -23.690 22.496 5.346 328 HE2 PHE 24 HE2 PHE 24 -25.882 21.319 1.771 329 HZ PHE 24 HZ PHE 24 -25.502 20.977 4.271 330 H PHE 25 H PHE 25 -22.079 25.413 -0.299 331 HA PHE 25 HA PHE 25 -20.170 26.816 -1.345 332 HB2 PHE 25 HB2 PHE 25 -21.627 24.941 -2.073 333 HB3 PHE 25 HB3 PHE 25 -22.866 26.061 -2.384 334 HD1 PHE 25 HD1 PHE 25 -19.356 25.726 -2.900 335 HD2 PHE 25 HD2 PHE 25 -23.076 27.171 -4.429 336 HE1 PHE 25 HE1 PHE 25 -18.180 26.553 -4.838 337 HE2 PHE 25 HE2 PHE 25 -22.026 27.728 -6.562 338 HZ PHE 25 HZ PHE 25 -19.512 27.559 -6.825 339 H TYR 26 H TYR 26 -23.280 27.409 -1.155 340 HA TYR 26 HA TYR 26 -23.972 28.483 -3.293 341 HB2 TYR 26 HB2 TYR 26 -25.141 28.923 -0.704 342 HB3 TYR 26 HB3 TYR 26 -25.920 29.687 -2.229 343 HD1 TYR 26 HD1 TYR 26 -26.074 28.164 -4.222 344 HD2 TYR 26 HD2 TYR 26 -25.230 26.827 -0.213 345 HE1 TYR 26 HE1 TYR 26 -26.127 25.796 -5.001 346 HE2 TYR 26 HE2 TYR 26 -24.658 24.757 -1.140 347 HH TYR 26 HH TYR 26 -25.348 23.637 -4.437 348 H THR 27 H THR 27 -24.996 30.051 -4.220 349 HA THR 27 HA THR 27 -22.842 31.603 -5.066 350 HB THR 27 HB THR 27 -24.437 31.643 -7.047 351 HG1 THR 27 HG1 THR 27 -26.286 30.571 -6.966 352 HG21 THR 27 HG21 THR 27 -22.856 29.815 -6.835 353 HG22 THR 27 HG22 THR 27 -23.890 28.935 -5.652 354 HG23 THR 27 HG23 THR 27 -24.365 29.107 -7.354 355 HA PRO 28 HA PRO 28 -25.323 35.548 -4.602 356 HB2 PRO 28 HB2 PRO 28 -26.773 35.242 -2.023 357 HB3 PRO 28 HB3 PRO 28 -27.317 36.007 -3.531 358 HG2 PRO 28 HG2 PRO 28 -28.294 33.617 -2.764 359 HG3 PRO 28 HG3 PRO 28 -27.953 33.969 -4.467 360 HD2 PRO 28 HD2 PRO 28 -26.241 32.475 -2.484 361 HD3 PRO 28 HD3 PRO 28 -26.655 32.012 -4.149 362 H LYS 29 H LYS 29 -23.712 33.686 -2.194 363 HA LYS 29 HA LYS 29 -22.645 36.135 -0.764 364 HB2 LYS 29 HB2 LYS 29 -24.297 34.741 0.477 365 HB3 LYS 29 HB3 LYS 29 -23.217 33.365 0.293 366 HG2 LYS 29 HG2 LYS 29 -21.466 34.673 1.601 367 HG3 LYS 29 HG3 LYS 29 -22.663 35.962 1.831 368 HD2 LYS 29 HD2 LYS 29 -22.647 34.564 3.802 369 HD3 LYS 29 HD3 LYS 29 -24.146 34.263 2.952 370 HE2 LYS 29 HE2 LYS 29 -23.263 32.158 3.710 371 HE3 LYS 29 HE3 LYS 29 -23.098 32.181 1.954 372 HZ1 LYS 29 HZ1 LYS 29 -21.090 31.366 3.067 373 HZ2 LYS 29 HZ2 LYS 29 -20.757 32.632 2.165 374 HZ3 LYS 29 HZ3 LYS 29 -20.851 32.804 3.805 375 H ALA 30 H ALA 30 -21.800 32.789 -1.697 376 HA ALA 30 HA ALA 30 -19.938 31.572 -1.498 377 HB1 ALA 30 HB1 ALA 30 -19.451 32.540 -3.642 378 HB2 ALA 30 HB2 ALA 30 -18.691 33.971 -2.864 379 HB3 ALA 30 HB3 ALA 30 -17.935 32.404 -2.743 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -18.026 24.095 -9.235 2 H2 GLY 1 H2 GLY 1 -18.125 24.980 -7.838 3 H3 GLY 1 H3 GLY 1 -18.560 25.639 -9.282 4 HA2 GLY 1 HA2 GLY 1 -19.979 23.438 -7.852 5 HA3 GLY 1 HA3 GLY 1 -20.580 25.045 -8.095 6 H ILE 2 H ILE 2 -22.177 23.305 -8.886 7 HA ILE 2 HA ILE 2 -21.742 22.015 -11.361 8 HB ILE 2 HB ILE 2 -20.908 21.436 -8.846 9 HG12 ILE 2 HG12 ILE 2 -22.477 19.169 -9.991 10 HG13 ILE 2 HG13 ILE 2 -21.020 19.752 -10.856 11 HG21 ILE 2 HG21 ILE 2 -23.678 20.441 -8.378 12 HG22 ILE 2 HG22 ILE 2 -22.384 20.878 -7.361 13 HG23 ILE 2 HG23 ILE 2 -23.302 22.154 -8.161 14 HD11 ILE 2 HD11 ILE 2 -20.974 19.369 -7.840 15 HD12 ILE 2 HD12 ILE 2 -20.582 18.021 -9.037 16 HD13 ILE 2 HD13 ILE 2 -19.640 19.509 -8.982 17 H VAL 3 H VAL 3 -23.463 23.781 -10.914 18 HA VAL 3 HA VAL 3 -25.702 23.361 -9.492 19 HB VAL 3 HB VAL 3 -24.847 25.528 -11.333 20 HG11 VAL 3 HG11 VAL 3 -27.348 25.677 -9.622 21 HG12 VAL 3 HG12 VAL 3 -26.500 27.100 -10.228 22 HG13 VAL 3 HG13 VAL 3 -27.217 25.966 -11.376 23 HG21 VAL 3 HG21 VAL 3 -25.224 25.675 -8.352 24 HG22 VAL 3 HG22 VAL 3 -23.717 25.150 -9.107 25 HG23 VAL 3 HG23 VAL 3 -24.310 26.773 -9.400 26 H GLU 4 H GLU 4 -25.209 23.708 -12.406 27 HA GLU 4 HA GLU 4 -27.587 23.973 -13.650 28 HB2 GLU 4 HB2 GLU 4 -25.982 25.274 -15.124 29 HB3 GLU 4 HB3 GLU 4 -25.934 25.646 -13.361 30 HG2 GLU 4 HG2 GLU 4 -23.817 24.426 -13.109 31 HG3 GLU 4 HG3 GLU 4 -23.781 24.140 -14.863 32 HE2 GLU 4 HE2 GLU 4 -21.925 27.199 -13.758 33 H GLN 5 H GLN 5 -24.949 22.506 -14.120 34 HA GLN 5 HA GLN 5 -24.815 20.504 -15.936 35 HB2 GLN 5 HB2 GLN 5 -24.573 20.503 -12.970 36 HB3 GLN 5 HB3 GLN 5 -23.700 19.376 -13.992 37 HG2 GLN 5 HG2 GLN 5 -23.124 22.284 -13.268 38 HG3 GLN 5 HG3 GLN 5 -22.113 20.861 -13.220 39 HE21 GLN 5 HE21 GLN 5 -20.735 22.930 -15.951 40 HE22 GLN 5 HE22 GLN 5 -20.924 23.091 -14.238 41 H CYS 6 H CYS 6 -26.610 20.765 -12.872 42 HA CYS 6 HA CYS 6 -28.393 18.534 -13.241 43 HB2 CYS 6 HB2 CYS 6 -28.131 20.879 -11.422 44 HB3 CYS 6 HB3 CYS 6 -29.443 19.696 -11.198 45 H CYS 7 H CYS 7 -28.714 21.932 -13.492 46 HA CYS 7 HA CYS 7 -31.521 21.971 -13.537 47 HB2 CYS 7 HB2 CYS 7 -29.550 23.586 -12.888 48 HB3 CYS 7 HB3 CYS 7 -29.597 24.041 -14.519 49 H ALA 8 H ALA 8 -29.329 21.322 -16.032 50 HA ALA 8 HA ALA 8 -31.098 20.615 -18.307 51 HB1 ALA 8 HB1 ALA 8 -28.731 19.310 -16.976 52 HB2 ALA 8 HB2 ALA 8 -29.273 19.126 -18.631 53 HB3 ALA 8 HB3 ALA 8 -28.568 20.672 -18.147 54 H SER 9 H SER 9 -30.807 18.079 -18.288 55 HA SER 9 HA SER 9 -32.666 16.669 -16.459 56 HB2 SER 9 HB2 SER 9 -32.018 16.404 -18.888 57 HB3 SER 9 HB3 SER 9 -30.549 15.667 -18.259 58 HG SER 9 HG SER 9 -32.355 14.150 -18.774 59 H VAL 10 H VAL 10 -31.427 14.692 -16.345 60 HA VAL 10 HA VAL 10 -31.420 14.734 -13.854 61 HB VAL 10 HB VAL 10 -32.229 13.194 -15.534 62 HG11 VAL 10 HG11 VAL 10 -29.609 11.733 -15.452 63 HG12 VAL 10 HG12 VAL 10 -31.001 11.342 -16.423 64 HG13 VAL 10 HG13 VAL 10 -30.176 12.862 -16.722 65 HG21 VAL 10 HG21 VAL 10 -32.751 12.710 -13.453 66 HG22 VAL 10 HG22 VAL 10 -32.262 11.152 -14.184 67 HG23 VAL 10 HG23 VAL 10 -31.149 11.994 -13.060 68 H CYS 11 H CYS 11 -30.152 14.368 -11.937 69 HA CYS 11 HA CYS 11 -27.211 13.910 -12.117 70 HB2 CYS 11 HB2 CYS 11 -26.585 16.068 -11.630 71 HB3 CYS 11 HB3 CYS 11 -27.881 16.375 -12.731 72 H SER 12 H SER 12 -25.968 13.763 -10.236 73 HA SER 12 HA SER 12 -26.954 12.248 -8.265 74 HB2 SER 12 HB2 SER 12 -24.312 13.319 -8.546 75 HB3 SER 12 HB3 SER 12 -24.862 11.650 -8.427 76 HG SER 12 HG SER 12 -23.841 11.954 -10.379 77 H LEU 13 H LEU 13 -25.467 12.412 -6.668 78 HA LEU 13 HA LEU 13 -26.070 14.216 -4.350 79 HB2 LEU 13 HB2 LEU 13 -24.340 11.767 -4.885 80 HB3 LEU 13 HB3 LEU 13 -25.140 12.106 -3.333 81 HG LEU 13 HG LEU 13 -26.554 10.427 -3.918 82 HD11 LEU 13 HD11 LEU 13 -27.671 12.006 -6.161 83 HD12 LEU 13 HD12 LEU 13 -28.484 10.897 -5.081 84 HD13 LEU 13 HD13 LEU 13 -27.978 12.479 -4.448 85 HD21 LEU 13 HD21 LEU 13 -24.972 9.617 -5.608 86 HD22 LEU 13 HD22 LEU 13 -26.707 9.254 -5.840 87 HD23 LEU 13 HD23 LEU 13 -25.943 10.489 -6.828 88 H TYR 14 H TYR 14 -23.358 13.240 -6.269 89 HA TYR 14 HA TYR 14 -21.598 15.284 -5.050 90 HB2 TYR 14 HB2 TYR 14 -21.572 12.794 -5.814 91 HB3 TYR 14 HB3 TYR 14 -21.718 13.306 -7.425 92 HD1 TYR 14 HD1 TYR 14 -19.753 13.961 -4.518 93 HD2 TYR 14 HD2 TYR 14 -19.950 12.542 -8.396 94 HE1 TYR 14 HE1 TYR 14 -18.971 11.719 -3.689 95 HE2 TYR 14 HE2 TYR 14 -21.093 11.097 -7.079 96 HH TYR 14 HH TYR 14 -19.790 9.657 -4.040 97 H GLN 15 H GLN 15 -23.413 15.345 -7.079 98 HA GLN 15 HA GLN 15 -22.703 18.027 -8.182 99 HB2 GLN 15 HB2 GLN 15 -25.173 16.708 -7.429 100 HB3 GLN 15 HB3 GLN 15 -25.162 18.317 -8.263 101 HG2 GLN 15 HG2 GLN 15 -24.527 15.456 -8.972 102 HG3 GLN 15 HG3 GLN 15 -25.859 16.409 -9.603 103 HE21 GLN 15 HE21 GLN 15 -22.184 16.769 -11.471 104 HE22 GLN 15 HE22 GLN 15 -22.304 15.898 -9.944 105 H LEU 16 H LEU 16 -24.642 16.794 -5.869 106 HA LEU 16 HA LEU 16 -24.668 18.851 -4.120 107 HB2 LEU 16 HB2 LEU 16 -25.757 16.129 -4.777 108 HB3 LEU 16 HB3 LEU 16 -26.332 16.554 -3.392 109 HG LEU 16 HG LEU 16 -26.716 17.313 -6.196 110 HD11 LEU 16 HD11 LEU 16 -28.171 16.059 -4.989 111 HD12 LEU 16 HD12 LEU 16 -28.646 17.393 -3.914 112 HD13 LEU 16 HD13 LEU 16 -29.011 17.487 -5.658 113 HD21 LEU 16 HD21 LEU 16 -26.829 19.716 -4.474 114 HD22 LEU 16 HD22 LEU 16 -25.862 19.297 -5.896 115 HD23 LEU 16 HD23 LEU 16 -27.616 19.542 -6.090 116 H GLU 17 H GLU 17 -22.492 16.564 -3.756 117 HA GLU 17 HA GLU 17 -21.903 17.047 -0.897 118 HB2 GLU 17 HB2 GLU 17 -20.353 15.822 -3.241 119 HB3 GLU 17 HB3 GLU 17 -19.865 15.640 -1.510 120 HG2 GLU 17 HG2 GLU 17 -22.473 14.684 -1.621 121 HG3 GLU 17 HG3 GLU 17 -21.801 14.620 -3.249 122 HE2 GLU 17 HE2 GLU 17 -21.294 11.317 -1.816 123 H ASN 18 H ASN 18 -20.637 17.763 -4.178 124 HA ASN 18 HA ASN 18 -18.006 17.996 -3.641 125 HB2 ASN 18 HB2 ASN 18 -20.004 18.603 -5.921 126 HB3 ASN 18 HB3 ASN 18 -19.309 19.435 -5.432 127 HD21 ASN 18 HD21 ASN 18 -16.016 18.928 -6.371 128 HD22 ASN 18 HD22 ASN 18 -17.216 19.488 -5.131 129 H TYR 19 H TYR 19 -20.217 20.443 -4.124 130 HA TYR 19 HA TYR 19 -18.988 22.833 -3.373 131 HB2 TYR 19 HB2 TYR 19 -21.616 21.481 -4.034 132 HB3 TYR 19 HB3 TYR 19 -21.582 23.125 -3.413 133 HD1 TYR 19 HD1 TYR 19 -19.739 24.558 -4.473 134 HD2 TYR 19 HD2 TYR 19 -21.091 20.749 -5.944 135 HE1 TYR 19 HE1 TYR 19 -17.734 23.797 -5.039 136 HE2 TYR 19 HE2 TYR 19 -19.503 20.532 -7.139 137 HH TYR 19 HH TYR 19 -16.367 22.543 -6.571 138 H CYS 20 H CYS 20 -21.527 21.201 -2.038 139 HA CYS 20 HA CYS 20 -22.657 22.451 0.086 140 HB2 CYS 20 HB2 CYS 20 -23.347 20.404 -0.641 141 HB3 CYS 20 HB3 CYS 20 -21.828 19.628 -0.492 142 H ASN 21 H ASN 21 -19.797 20.277 0.603 143 HA ASN 21 HA ASN 21 -19.534 20.489 3.335 144 HB2 ASN 21 HB2 ASN 21 -18.944 18.705 1.775 145 HB3 ASN 21 HB3 ASN 21 -17.735 19.675 1.013 146 HD21 ASN 21 HD21 ASN 21 -15.428 19.370 3.845 147 HD22 ASN 21 HD22 ASN 21 -16.009 20.585 2.684 148 H1 PHE 1 H1 PHE 1 -31.531 4.149 -4.710 149 H2 PHE 1 H2 PHE 1 -29.983 3.742 -5.051 150 H3 PHE 1 H3 PHE 1 -30.831 4.730 -6.053 151 HA PHE 1 HA PHE 1 -30.011 5.395 -3.257 152 HB2 PHE 1 HB2 PHE 1 -28.209 5.357 -5.119 153 HB3 PHE 1 HB3 PHE 1 -28.889 6.959 -5.618 154 HD1 PHE 1 HD1 PHE 1 -28.170 8.955 -4.303 155 HD2 PHE 1 HD2 PHE 1 -28.020 4.884 -2.874 156 HE1 PHE 1 HE1 PHE 1 -28.130 9.737 -1.985 157 HE2 PHE 1 HE2 PHE 1 -28.812 5.631 -0.849 158 HZ PHE 1 HZ PHE 1 -28.567 8.090 -0.123 159 H VAL 2 H VAL 2 -30.477 7.851 -5.666 160 HA VAL 2 HA VAL 2 -32.924 8.839 -4.315 161 HB VAL 2 HB VAL 2 -30.180 9.798 -4.768 162 HG11 VAL 2 HG11 VAL 2 -32.382 11.819 -4.175 163 HG12 VAL 2 HG12 VAL 2 -30.672 12.137 -3.946 164 HG13 VAL 2 HG13 VAL 2 -31.262 11.813 -5.571 165 HG21 VAL 2 HG21 VAL 2 -30.897 8.873 -2.497 166 HG22 VAL 2 HG22 VAL 2 -30.330 10.510 -2.329 167 HG23 VAL 2 HG23 VAL 2 -32.059 10.189 -2.336 168 H ASN 3 H ASN 3 -30.935 8.964 -6.916 169 HA ASN 3 HA ASN 3 -31.202 11.401 -7.820 170 HB2 ASN 3 HB2 ASN 3 -30.510 8.890 -9.165 171 HB3 ASN 3 HB3 ASN 3 -30.670 10.437 -10.230 172 HD21 ASN 3 HD21 ASN 3 -29.547 10.123 -7.186 173 HD22 ASN 3 HD22 ASN 3 -28.840 8.774 -7.691 174 H GLN 4 H GLN 4 -31.813 12.405 -9.544 175 HA GLN 4 HA GLN 4 -34.451 12.426 -10.727 176 HB2 GLN 4 HB2 GLN 4 -35.379 13.790 -9.102 177 HB3 GLN 4 HB3 GLN 4 -34.252 12.789 -8.212 178 HG2 GLN 4 HG2 GLN 4 -32.543 14.716 -8.385 179 HG3 GLN 4 HG3 GLN 4 -33.955 15.675 -8.927 180 HE21 GLN 4 HE21 GLN 4 -33.789 14.190 -4.988 181 HE22 GLN 4 HE22 GLN 4 -32.973 13.357 -6.287 182 H HIS 5 H HIS 5 -34.728 14.642 -10.780 183 HA HIS 5 HA HIS 5 -33.560 15.028 -13.334 184 HB2 HIS 5 HB2 HIS 5 -36.027 15.031 -11.902 185 HB3 HIS 5 HB3 HIS 5 -36.013 16.447 -12.671 186 HD2 HIS 5 HD2 HIS 5 -38.014 14.263 -12.999 187 HE1 HIS 5 HE1 HIS 5 -34.811 13.192 -12.808 188 HE2 HIS 5 HE2 HIS 5 -37.009 12.031 -12.858 189 H LEU 6 H LEU 6 -34.760 16.861 -11.131 190 HA LEU 6 HA LEU 6 -34.779 19.049 -12.405 191 HB2 LEU 6 HB2 LEU 6 -35.889 18.198 -9.950 192 HB3 LEU 6 HB3 LEU 6 -35.451 19.910 -9.799 193 HG LEU 6 HG LEU 6 -37.813 18.864 -10.855 194 HD11 LEU 6 HD11 LEU 6 -36.689 21.641 -10.683 195 HD12 LEU 6 HD12 LEU 6 -38.430 21.251 -10.915 196 HD13 LEU 6 HD13 LEU 6 -37.586 20.776 -9.428 197 HD21 LEU 6 HD21 LEU 6 -36.824 18.815 -13.145 198 HD22 LEU 6 HD22 LEU 6 -38.090 20.071 -12.938 199 HD23 LEU 6 HD23 LEU 6 -36.359 20.544 -12.965 200 H CYS 7 H CYS 7 -34.900 21.178 -11.620 201 HA CYS 7 HA CYS 7 -32.202 22.388 -11.602 202 HB2 CYS 7 HB2 CYS 7 -33.949 22.153 -13.383 203 HB3 CYS 7 HB3 CYS 7 -35.019 23.163 -12.467 204 H GLY 8 H GLY 8 -32.257 24.853 -10.846 205 HA2 GLY 8 HA2 GLY 8 -32.965 26.535 -9.237 206 HA3 GLY 8 HA3 GLY 8 -34.134 25.403 -8.650 207 H SER 9 H SER 9 -33.509 26.493 -6.964 208 HA SER 9 HA SER 9 -31.441 25.382 -5.152 209 HB2 SER 9 HB2 SER 9 -32.914 27.972 -5.498 210 HB3 SER 9 HB3 SER 9 -31.859 27.767 -4.056 211 HG SER 9 HG SER 9 -30.752 28.966 -5.712 212 H HIS 10 H HIS 10 -33.598 24.532 -5.719 213 HA HIS 10 HA HIS 10 -34.561 23.716 -3.212 214 HB2 HIS 10 HB2 HIS 10 -35.351 24.612 -5.901 215 HB3 HIS 10 HB3 HIS 10 -35.390 23.014 -6.091 216 HD2 HIS 10 HD2 HIS 10 -36.134 25.385 -3.481 217 HE1 HIS 10 HE1 HIS 10 -40.100 23.801 -4.143 218 HE2 HIS 10 HE2 HIS 10 -38.832 25.506 -2.747 219 H LEU 11 H LEU 11 -33.267 22.572 -5.537 220 HA LEU 11 HA LEU 11 -32.274 21.090 -3.377 221 HB2 LEU 11 HB2 LEU 11 -31.442 19.072 -4.992 222 HB3 LEU 11 HB3 LEU 11 -33.196 19.349 -5.002 223 HG LEU 11 HG LEU 11 -31.846 18.964 -7.231 224 HD11 LEU 11 HD11 LEU 11 -33.985 21.178 -7.097 225 HD12 LEU 11 HD12 LEU 11 -33.602 20.075 -8.458 226 HD13 LEU 11 HD13 LEU 11 -34.331 19.426 -7.014 227 HD21 LEU 11 HD21 LEU 11 -30.316 20.938 -7.044 228 HD22 LEU 11 HD22 LEU 11 -31.371 21.066 -8.447 229 HD23 LEU 11 HD23 LEU 11 -31.736 22.010 -6.978 230 H VAL 12 H VAL 12 -31.729 23.388 -3.803 231 HA VAL 12 HA VAL 12 -29.491 22.631 -2.107 232 HB VAL 12 HB VAL 12 -31.223 24.886 -2.958 233 HG11 VAL 12 HG11 VAL 12 -30.091 25.381 -0.410 234 HG12 VAL 12 HG12 VAL 12 -30.640 26.679 -1.582 235 HG13 VAL 12 HG13 VAL 12 -31.715 25.305 -1.184 236 HG21 VAL 12 HG21 VAL 12 -29.717 24.673 -4.456 237 HG22 VAL 12 HG22 VAL 12 -29.358 26.276 -3.710 238 HG23 VAL 12 HG23 VAL 12 -28.311 24.842 -3.313 239 H GLU 13 H GLU 13 -32.716 23.272 -2.324 240 HA GLU 13 HA GLU 13 -32.661 22.494 0.392 241 HB2 GLU 13 HB2 GLU 13 -33.937 24.579 0.589 242 HB3 GLU 13 HB3 GLU 13 -33.874 24.538 -1.221 243 HG2 GLU 13 HG2 GLU 13 -35.743 23.466 -1.509 244 HG3 GLU 13 HG3 GLU 13 -36.121 23.199 0.236 245 HE2 GLU 13 HE2 GLU 13 -38.176 26.016 -0.144 246 H ALA 14 H ALA 14 -33.107 21.287 -1.678 247 HA ALA 14 HA ALA 14 -33.837 18.801 -0.051 248 HB1 ALA 14 HB1 ALA 14 -32.270 19.209 -2.566 249 HB2 ALA 14 HB2 ALA 14 -32.777 17.577 -2.010 250 HB3 ALA 14 HB3 ALA 14 -34.030 18.697 -2.681 251 H LEU 15 H LEU 15 -31.081 20.733 -1.258 252 HA LEU 15 HA LEU 15 -29.505 18.534 -0.255 253 HB2 LEU 15 HB2 LEU 15 -28.616 19.084 -2.158 254 HB3 LEU 15 HB3 LEU 15 -29.327 20.648 -2.221 255 HG LEU 15 HG LEU 15 -26.862 20.706 -2.392 256 HD11 LEU 15 HD11 LEU 15 -28.382 22.055 -0.240 257 HD12 LEU 15 HD12 LEU 15 -26.561 22.118 -0.106 258 HD13 LEU 15 HD13 LEU 15 -27.401 22.791 -1.531 259 HD21 LEU 15 HD21 LEU 15 -27.008 20.031 0.459 260 HD22 LEU 15 HD22 LEU 15 -26.865 18.722 -0.749 261 HD23 LEU 15 HD23 LEU 15 -25.574 19.941 -0.591 262 H TYR 16 H TYR 16 -30.243 21.586 0.820 263 HA TYR 16 HA TYR 16 -29.377 22.056 3.451 264 HB2 TYR 16 HB2 TYR 16 -31.013 22.917 2.013 265 HB3 TYR 16 HB3 TYR 16 -32.114 21.751 2.217 266 HD1 TYR 16 HD1 TYR 16 -33.182 23.690 2.414 267 HD2 TYR 16 HD2 TYR 16 -30.200 22.954 5.223 268 HE1 TYR 16 HE1 TYR 16 -31.608 24.792 1.326 269 HE2 TYR 16 HE2 TYR 16 -28.933 24.697 4.292 270 HH TYR 16 HH TYR 16 -29.982 26.685 1.471 271 H LEU 17 H LEU 17 -31.594 19.645 2.439 272 HA LEU 17 HA LEU 17 -32.016 18.582 5.041 273 HB2 LEU 17 HB2 LEU 17 -33.299 18.384 2.259 274 HB3 LEU 17 HB3 LEU 17 -33.874 17.523 3.658 275 HG LEU 17 HG LEU 17 -33.665 20.483 3.149 276 HD11 LEU 17 HD11 LEU 17 -36.139 20.493 3.403 277 HD12 LEU 17 HD12 LEU 17 -35.697 19.170 2.305 278 HD13 LEU 17 HD13 LEU 17 -36.143 18.816 3.967 279 HD21 LEU 17 HD21 LEU 17 -34.855 20.913 5.359 280 HD22 LEU 17 HD22 LEU 17 -34.477 19.240 5.829 281 HD23 LEU 17 HD23 LEU 17 -33.155 20.367 5.517 282 H VAL 18 H VAL 18 -30.257 17.743 2.580 283 HA VAL 18 HA VAL 18 -29.807 14.899 3.207 284 HB VAL 18 HB VAL 18 -29.199 16.896 1.057 285 HG11 VAL 18 HG11 VAL 18 -28.174 15.145 -0.270 286 HG12 VAL 18 HG12 VAL 18 -27.252 15.789 1.117 287 HG13 VAL 18 HG13 VAL 18 -28.008 14.164 1.275 288 HG21 VAL 18 HG21 VAL 18 -31.313 16.072 1.252 289 HG22 VAL 18 HG22 VAL 18 -30.504 15.555 -0.273 290 HG23 VAL 18 HG23 VAL 18 -30.804 14.357 1.055 291 H CYS 19 H CYS 19 -28.006 17.505 2.535 292 HA CYS 19 HA CYS 19 -25.407 16.429 3.318 293 HB2 CYS 19 HB2 CYS 19 -26.393 17.731 1.282 294 HB3 CYS 19 HB3 CYS 19 -26.171 19.133 2.175 295 H GLY 20 H GLY 20 -27.437 19.033 4.152 296 HA2 GLY 20 HA2 GLY 20 -28.234 19.278 6.369 297 HA3 GLY 20 HA3 GLY 20 -26.783 18.512 6.968 298 H GLU 21 H GLU 21 -24.976 19.639 7.352 299 HA GLU 21 HA GLU 21 -24.028 21.417 8.705 300 HB2 GLU 21 HB2 GLU 21 -23.720 20.333 5.984 301 HB3 GLU 21 HB3 GLU 21 -22.824 21.681 6.216 302 HG2 GLU 21 HG2 GLU 21 -21.866 20.863 8.265 303 HG3 GLU 21 HG3 GLU 21 -22.905 19.370 8.111 304 HE2 GLU 21 HE2 GLU 21 -19.677 18.302 7.028 305 H ARG 22 H ARG 22 -22.690 22.874 7.487 306 HA ARG 22 HA ARG 22 -22.779 25.577 7.996 307 HB2 ARG 22 HB2 ARG 22 -21.919 23.988 5.680 308 HB3 ARG 22 HB3 ARG 22 -21.355 25.679 5.958 309 HG2 ARG 22 HG2 ARG 22 -19.846 24.980 7.528 310 HG3 ARG 22 HG3 ARG 22 -21.082 23.994 8.367 311 HD2 ARG 22 HD2 ARG 22 -20.785 22.263 6.667 312 HD3 ARG 22 HD3 ARG 22 -19.486 23.195 5.937 313 HE ARG 22 HE ARG 22 -19.270 22.504 8.814 314 HH11 ARG 22 HH11 ARG 22 -18.003 21.914 5.599 315 HH12 ARG 22 HH12 ARG 22 -16.619 21.051 6.219 316 HH21 ARG 22 HH21 ARG 22 -17.592 21.273 9.513 317 HH22 ARG 22 HH22 ARG 22 -16.409 20.663 8.408 318 H GLY 23 H GLY 23 -23.321 25.259 4.753 319 HA2 GLY 23 HA2 GLY 23 -25.954 26.062 4.451 320 HA3 GLY 23 HA3 GLY 23 -25.133 27.505 4.466 321 H PHE 24 H PHE 24 -24.901 24.474 3.362 322 HA PHE 24 HA PHE 24 -25.521 23.284 1.276 323 HB2 PHE 24 HB2 PHE 24 -27.297 24.862 3.001 324 HB3 PHE 24 HB3 PHE 24 -27.758 23.502 1.785 325 HD1 PHE 24 HD1 PHE 24 -26.014 24.207 5.014 326 HD2 PHE 24 HD2 PHE 24 -27.007 21.534 1.844 327 HE1 PHE 24 HE1 PHE 24 -23.776 23.313 4.949 328 HE2 PHE 24 HE2 PHE 24 -25.064 21.206 1.466 329 HZ PHE 24 HZ PHE 24 -23.145 21.736 3.177 330 H PHE 25 H PHE 25 -24.582 23.905 -0.644 331 HA PHE 25 HA PHE 25 -23.766 26.054 -0.342 332 HB2 PHE 25 HB2 PHE 25 -23.312 23.610 -1.512 333 HB3 PHE 25 HB3 PHE 25 -23.639 24.442 -2.872 334 HD1 PHE 25 HD1 PHE 25 -22.087 24.834 0.129 335 HD2 PHE 25 HD2 PHE 25 -22.284 25.853 -3.934 336 HE1 PHE 25 HE1 PHE 25 -21.772 27.116 0.614 337 HE2 PHE 25 HE2 PHE 25 -21.402 28.061 -3.497 338 HZ PHE 25 HZ PHE 25 -21.054 28.794 -1.091 339 H TYR 26 H TYR 26 -25.329 25.171 -2.830 340 HA TYR 26 HA TYR 26 -24.038 25.593 -4.699 341 HB2 TYR 26 HB2 TYR 26 -26.721 25.773 -4.775 342 HB3 TYR 26 HB3 TYR 26 -25.862 26.611 -6.267 343 HD1 TYR 26 HD1 TYR 26 -23.706 24.618 -6.668 344 HD2 TYR 26 HD2 TYR 26 -27.749 24.070 -5.523 345 HE1 TYR 26 HE1 TYR 26 -23.153 22.448 -5.687 346 HE2 TYR 26 HE2 TYR 26 -26.540 23.644 -3.640 347 HH TYR 26 HH TYR 26 -23.641 21.379 -3.662 348 H THR 27 H THR 27 -23.468 26.709 -6.458 349 HA THR 27 HA THR 27 -22.204 29.178 -5.720 350 HB THR 27 HB THR 27 -20.822 28.520 -7.682 351 HG1 THR 27 HG1 THR 27 -22.132 27.466 -9.034 352 HG21 THR 27 HG21 THR 27 -19.866 26.508 -6.666 353 HG22 THR 27 HG22 THR 27 -20.460 27.588 -5.359 354 HG23 THR 27 HG23 THR 27 -21.434 26.138 -5.876 355 HA PRO 28 HA PRO 28 -24.068 31.884 -8.838 356 HB2 PRO 28 HB2 PRO 28 -21.884 33.397 -9.654 357 HB3 PRO 28 HB3 PRO 28 -22.711 33.601 -8.075 358 HG2 PRO 28 HG2 PRO 28 -20.234 31.984 -8.735 359 HG3 PRO 28 HG3 PRO 28 -20.490 33.185 -7.397 360 HD2 PRO 28 HD2 PRO 28 -20.735 30.573 -6.914 361 HD3 PRO 28 HD3 PRO 28 -21.848 31.736 -6.133 362 H LYS 29 H LYS 29 -24.330 31.935 -11.068 363 HA LYS 29 HA LYS 29 -23.040 29.788 -12.654 364 HB2 LYS 29 HB2 LYS 29 -25.280 31.674 -13.365 365 HB3 LYS 29 HB3 LYS 29 -24.658 30.354 -14.369 366 HG2 LYS 29 HG2 LYS 29 -25.228 28.717 -12.578 367 HG3 LYS 29 HG3 LYS 29 -25.905 30.003 -11.589 368 HD2 LYS 29 HD2 LYS 29 -27.697 28.866 -12.687 369 HD3 LYS 29 HD3 LYS 29 -27.589 30.465 -13.418 370 HE2 LYS 29 HE2 LYS 29 -26.398 29.565 -15.366 371 HE3 LYS 29 HE3 LYS 29 -26.287 27.976 -14.617 372 HZ1 LYS 29 HZ1 LYS 29 -28.690 27.794 -14.758 373 HZ2 LYS 29 HZ2 LYS 29 -28.848 29.266 -15.407 374 HZ3 LYS 29 HZ3 LYS 29 -28.099 28.080 -16.238 375 H ALA 30 H ALA 30 -22.142 32.920 -12.044 376 HA ALA 30 HA ALA 30 -20.506 33.065 -14.524 377 HB1 ALA 30 HB1 ALA 30 -22.122 35.354 -13.354 378 HB2 ALA 30 HB2 ALA 30 -20.994 35.482 -14.717 379 HB3 ALA 30 HB3 ALA 30 -22.476 34.518 -14.878 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -19.216 21.430 -11.263 2 H2 GLY 1 H2 GLY 1 -20.269 21.797 -12.464 3 H3 GLY 1 H3 GLY 1 -20.346 20.336 -11.750 4 HA2 GLY 1 HA2 GLY 1 -21.015 21.246 -9.631 5 HA3 GLY 1 HA3 GLY 1 -20.871 22.867 -10.376 6 H ILE 2 H ILE 2 -22.913 23.705 -10.557 7 HA ILE 2 HA ILE 2 -24.740 21.699 -10.042 8 HB ILE 2 HB ILE 2 -23.009 23.409 -8.701 9 HG12 ILE 2 HG12 ILE 2 -24.123 22.736 -6.597 10 HG13 ILE 2 HG13 ILE 2 -25.518 22.126 -7.539 11 HG21 ILE 2 HG21 ILE 2 -25.413 24.962 -8.425 12 HG22 ILE 2 HG22 ILE 2 -23.891 25.107 -7.498 13 HG23 ILE 2 HG23 ILE 2 -23.846 25.235 -9.342 14 HD11 ILE 2 HD11 ILE 2 -23.170 20.665 -7.023 15 HD12 ILE 2 HD12 ILE 2 -24.278 20.377 -8.401 16 HD13 ILE 2 HD13 ILE 2 -22.860 21.424 -8.603 17 H VAL 3 H VAL 3 -24.922 24.725 -11.415 18 HA VAL 3 HA VAL 3 -27.173 25.258 -9.976 19 HB VAL 3 HB VAL 3 -25.981 26.657 -12.184 20 HG11 VAL 3 HG11 VAL 3 -27.337 28.718 -11.791 21 HG12 VAL 3 HG12 VAL 3 -28.409 27.428 -12.275 22 HG13 VAL 3 HG13 VAL 3 -28.312 27.848 -10.555 23 HG21 VAL 3 HG21 VAL 3 -25.984 27.224 -9.247 24 HG22 VAL 3 HG22 VAL 3 -24.614 26.958 -10.366 25 HG23 VAL 3 HG23 VAL 3 -25.530 28.479 -10.436 26 H GLU 4 H GLU 4 -26.704 24.720 -12.834 27 HA GLU 4 HA GLU 4 -29.183 24.509 -14.017 28 HB2 GLU 4 HB2 GLU 4 -27.736 25.794 -15.744 29 HB3 GLU 4 HB3 GLU 4 -27.707 26.437 -14.034 30 HG2 GLU 4 HG2 GLU 4 -25.416 25.461 -13.698 31 HG3 GLU 4 HG3 GLU 4 -25.430 25.120 -15.450 32 HE2 GLU 4 HE2 GLU 4 -25.259 28.494 -16.406 33 H GLN 5 H GLN 5 -26.312 23.638 -14.631 34 HA GLN 5 HA GLN 5 -25.676 21.417 -15.742 35 HB2 GLN 5 HB2 GLN 5 -25.709 22.320 -12.926 36 HB3 GLN 5 HB3 GLN 5 -24.689 20.933 -13.428 37 HG2 GLN 5 HG2 GLN 5 -24.276 23.488 -14.936 38 HG3 GLN 5 HG3 GLN 5 -23.961 23.667 -13.244 39 HE21 GLN 5 HE21 GLN 5 -21.619 21.083 -15.605 40 HE22 GLN 5 HE22 GLN 5 -23.305 21.257 -15.992 41 H CYS 6 H CYS 6 -27.662 21.667 -12.772 42 HA CYS 6 HA CYS 6 -28.826 19.037 -12.949 43 HB2 CYS 6 HB2 CYS 6 -29.070 21.475 -11.270 44 HB3 CYS 6 HB3 CYS 6 -30.099 20.092 -10.949 45 H CYS 7 H CYS 7 -29.850 22.304 -13.385 46 HA CYS 7 HA CYS 7 -32.614 21.695 -13.370 47 HB2 CYS 7 HB2 CYS 7 -30.991 23.828 -12.999 48 HB3 CYS 7 HB3 CYS 7 -31.315 24.089 -14.583 49 H ALA 8 H ALA 8 -30.371 21.476 -15.976 50 HA ALA 8 HA ALA 8 -31.959 20.213 -18.111 51 HB1 ALA 8 HB1 ALA 8 -29.323 19.622 -16.751 52 HB2 ALA 8 HB2 ALA 8 -29.821 19.157 -18.407 53 HB3 ALA 8 HB3 ALA 8 -29.516 20.838 -18.021 54 H SER 9 H SER 9 -31.210 17.839 -18.052 55 HA SER 9 HA SER 9 -32.648 16.133 -16.148 56 HB2 SER 9 HB2 SER 9 -32.003 15.914 -18.580 57 HB3 SER 9 HB3 SER 9 -30.387 15.645 -17.979 58 HG SER 9 HG SER 9 -31.810 13.739 -18.460 59 H VAL 10 H VAL 10 -30.959 14.455 -16.053 60 HA VAL 10 HA VAL 10 -30.964 14.470 -13.634 61 HB VAL 10 HB VAL 10 -31.374 12.795 -15.349 62 HG11 VAL 10 HG11 VAL 10 -28.460 12.062 -15.277 63 HG12 VAL 10 HG12 VAL 10 -29.751 11.275 -16.170 64 HG13 VAL 10 HG13 VAL 10 -29.370 12.940 -16.567 65 HG21 VAL 10 HG21 VAL 10 -31.747 12.221 -13.307 66 HG22 VAL 10 HG22 VAL 10 -31.059 10.845 -14.156 67 HG23 VAL 10 HG23 VAL 10 -30.058 11.759 -12.954 68 H CYS 11 H CYS 11 -29.724 14.459 -11.715 69 HA CYS 11 HA CYS 11 -26.775 14.779 -11.878 70 HB2 CYS 11 HB2 CYS 11 -26.595 16.910 -11.195 71 HB3 CYS 11 HB3 CYS 11 -27.896 17.026 -12.368 72 H SER 12 H SER 12 -25.514 14.440 -10.121 73 HA SER 12 HA SER 12 -26.084 12.637 -8.336 74 HB2 SER 12 HB2 SER 12 -23.636 13.950 -8.885 75 HB3 SER 12 HB3 SER 12 -24.101 12.275 -9.047 76 HG SER 12 HG SER 12 -23.517 12.887 -11.026 77 H LEU 13 H LEU 13 -24.357 12.763 -7.092 78 HA LEU 13 HA LEU 13 -24.357 14.032 -4.373 79 HB2 LEU 13 HB2 LEU 13 -22.797 11.869 -5.900 80 HB3 LEU 13 HB3 LEU 13 -23.089 11.852 -4.136 81 HG LEU 13 HG LEU 13 -24.633 10.315 -4.554 82 HD11 LEU 13 HD11 LEU 13 -26.362 12.040 -6.226 83 HD12 LEU 13 HD12 LEU 13 -26.806 10.793 -5.072 84 HD13 LEU 13 HD13 LEU 13 -26.198 12.362 -4.463 85 HD21 LEU 13 HD21 LEU 13 -24.759 10.802 -7.475 86 HD22 LEU 13 HD22 LEU 13 -23.530 9.812 -6.684 87 HD23 LEU 13 HD23 LEU 13 -25.229 9.366 -6.589 88 H TYR 14 H TYR 14 -22.291 13.620 -7.061 89 HA TYR 14 HA TYR 14 -20.394 15.716 -6.191 90 HB2 TYR 14 HB2 TYR 14 -20.382 13.339 -7.163 91 HB3 TYR 14 HB3 TYR 14 -21.193 13.964 -8.577 92 HD1 TYR 14 HD1 TYR 14 -18.413 14.500 -6.508 93 HD2 TYR 14 HD2 TYR 14 -19.861 13.489 -10.206 94 HE1 TYR 14 HE1 TYR 14 -17.320 12.239 -6.214 95 HE2 TYR 14 HE2 TYR 14 -20.449 11.848 -8.715 96 HH TYR 14 HH TYR 14 -18.004 10.103 -6.618 97 H GLN 15 H GLN 15 -22.636 15.720 -7.643 98 HA GLN 15 HA GLN 15 -22.503 18.651 -8.265 99 HB2 GLN 15 HB2 GLN 15 -24.483 16.785 -7.124 100 HB3 GLN 15 HB3 GLN 15 -24.907 18.496 -7.480 101 HG2 GLN 15 HG2 GLN 15 -24.339 16.061 -8.980 102 HG3 GLN 15 HG3 GLN 15 -25.845 17.012 -9.054 103 HE21 GLN 15 HE21 GLN 15 -24.331 19.436 -11.365 104 HE22 GLN 15 HE22 GLN 15 -25.581 19.234 -10.135 105 H LEU 16 H LEU 16 -23.601 16.856 -5.874 106 HA LEU 16 HA LEU 16 -23.079 18.460 -3.824 107 HB2 LEU 16 HB2 LEU 16 -24.412 15.909 -4.689 108 HB3 LEU 16 HB3 LEU 16 -24.568 16.044 -3.154 109 HG LEU 16 HG LEU 16 -25.708 17.213 -5.561 110 HD11 LEU 16 HD11 LEU 16 -26.902 15.980 -4.208 111 HD12 LEU 16 HD12 LEU 16 -26.747 17.097 -2.818 112 HD13 LEU 16 HD13 LEU 16 -27.690 17.604 -4.254 113 HD21 LEU 16 HD21 LEU 16 -24.564 19.096 -5.317 114 HD22 LEU 16 HD22 LEU 16 -26.277 19.509 -5.051 115 HD23 LEU 16 HD23 LEU 16 -25.160 19.435 -3.623 116 H GLU 17 H GLU 17 -21.012 16.478 -4.456 117 HA GLU 17 HA GLU 17 -19.447 16.638 -1.873 118 HB2 GLU 17 HB2 GLU 17 -18.681 16.220 -4.806 119 HB3 GLU 17 HB3 GLU 17 -17.549 15.939 -3.369 120 HG2 GLU 17 HG2 GLU 17 -19.865 14.769 -4.550 121 HG3 GLU 17 HG3 GLU 17 -18.295 13.957 -4.383 122 HE2 GLU 17 HE2 GLU 17 -20.275 12.117 -2.058 123 H ASN 18 H ASN 18 -19.432 17.758 -5.137 124 HA ASN 18 HA ASN 18 -16.995 19.055 -5.146 125 HB2 ASN 18 HB3 ASN 18 -19.126 18.687 -6.818 126 HB3 ASN 18 HB2 ASN 18 -18.742 20.223 -7.053 127 HD21 ASN 18 HD21 ASN 18 -16.125 17.292 -7.877 128 HD22 ASN 18 HD22 ASN 18 -17.390 17.503 -6.604 129 H TYR 19 H TYR 19 -19.822 20.478 -5.493 130 HA TYR 19 HA TYR 19 -19.689 23.237 -5.131 131 HB2 TYR 19 HB2 TYR 19 -21.502 21.050 -5.301 132 HB3 TYR 19 HB3 TYR 19 -22.117 22.508 -4.576 133 HD1 TYR 19 HD1 TYR 19 -22.319 24.515 -6.179 134 HD2 TYR 19 HD2 TYR 19 -20.766 20.758 -7.251 135 HE1 TYR 19 HE1 TYR 19 -21.603 25.155 -8.483 136 HE2 TYR 19 HE2 TYR 19 -19.337 22.228 -6.920 137 HH TYR 19 HH TYR 19 -19.532 25.081 -9.694 138 H CYS 20 H CYS 20 -21.099 21.165 -3.328 139 HA CYS 20 HA CYS 20 -22.102 22.768 -1.275 140 HB2 CYS 20 HB2 CYS 20 -23.102 20.825 -2.300 141 HB3 CYS 20 HB3 CYS 20 -21.797 19.788 -1.857 142 H ASN 21 H ASN 21 -19.488 20.141 -0.696 143 HA ASN 21 HA ASN 21 -19.536 20.493 2.115 144 HB2 ASN 21 HB2 ASN 21 -19.218 18.497 0.612 145 HB3 ASN 21 HB3 ASN 21 -17.714 19.192 0.074 146 HD21 ASN 21 HD21 ASN 21 -16.725 18.515 3.814 147 HD22 ASN 21 HD22 ASN 21 -17.293 20.031 3.104 148 H1 PHE 1 H1 PHE 1 -28.976 3.635 -5.215 149 H2 PHE 1 H2 PHE 1 -27.559 3.638 -6.039 150 H3 PHE 1 H3 PHE 1 -28.800 4.527 -6.615 151 HA PHE 1 HA PHE 1 -27.397 4.921 -4.010 152 HB2 PHE 1 HB2 PHE 1 -26.049 5.360 -6.150 153 HB3 PHE 1 HB3 PHE 1 -26.999 6.861 -6.327 154 HD1 PHE 1 HD1 PHE 1 -26.234 8.808 -4.809 155 HD2 PHE 1 HD2 PHE 1 -25.334 4.658 -4.172 156 HE1 PHE 1 HE1 PHE 1 -25.879 9.217 -2.421 157 HE2 PHE 1 HE2 PHE 1 -26.089 4.911 -2.092 158 HZ PHE 1 HZ PHE 1 -26.008 7.195 -0.868 159 H VAL 2 H VAL 2 -28.608 7.534 -5.934 160 HA VAL 2 HA VAL 2 -30.860 8.102 -4.072 161 HB VAL 2 HB VAL 2 -28.332 9.433 -4.931 162 HG11 VAL 2 HG11 VAL 2 -30.656 11.134 -3.788 163 HG12 VAL 2 HG12 VAL 2 -28.945 11.636 -3.847 164 HG13 VAL 2 HG13 VAL 2 -29.774 11.365 -5.347 165 HG21 VAL 2 HG21 VAL 2 -28.545 8.229 -2.675 166 HG22 VAL 2 HG22 VAL 2 -28.192 9.964 -2.471 167 HG23 VAL 2 HG23 VAL 2 -29.827 9.371 -2.208 168 H ASN 3 H ASN 3 -29.381 8.802 -6.846 169 HA ASN 3 HA ASN 3 -30.268 11.165 -7.611 170 HB2 ASN 3 HB2 ASN 3 -29.234 8.914 -9.060 171 HB3 ASN 3 HB3 ASN 3 -29.905 10.379 -10.091 172 HD21 ASN 3 HD21 ASN 3 -28.433 10.235 -7.242 173 HD22 ASN 3 HD22 ASN 3 -27.433 9.177 -7.852 174 H GLN 4 H GLN 4 -31.227 12.054 -9.184 175 HA GLN 4 HA GLN 4 -33.646 11.572 -10.566 176 HB2 GLN 4 HB2 GLN 4 -34.933 12.983 -9.204 177 HB3 GLN 4 HB3 GLN 4 -34.035 11.883 -8.189 178 HG2 GLN 4 HG2 GLN 4 -32.965 14.608 -8.547 179 HG3 GLN 4 HG3 GLN 4 -34.321 14.368 -7.470 180 HE21 GLN 4 HE21 GLN 4 -30.721 13.043 -6.037 181 HE22 GLN 4 HE22 GLN 4 -30.771 13.962 -7.550 182 H HIS 5 H HIS 5 -34.047 13.802 -10.488 183 HA HIS 5 HA HIS 5 -32.943 14.359 -13.006 184 HB2 HIS 5 HB2 HIS 5 -35.301 13.737 -11.734 185 HB3 HIS 5 HB3 HIS 5 -35.662 15.159 -12.270 186 HD2 HIS 5 HD2 HIS 5 -37.193 12.835 -13.045 187 HE1 HIS 5 HE1 HIS 5 -33.847 12.353 -12.630 188 HE2 HIS 5 HE2 HIS 5 -35.765 10.812 -12.879 189 H LEU 6 H LEU 6 -34.609 15.946 -11.110 190 HA LEU 6 HA LEU 6 -34.924 17.979 -12.619 191 HB2 LEU 6 HB2 LEU 6 -36.311 16.982 -10.353 192 HB3 LEU 6 HB3 LEU 6 -36.406 18.758 -10.374 193 HG LEU 6 HG LEU 6 -38.001 16.856 -11.782 194 HD11 LEU 6 HD11 LEU 6 -37.870 19.873 -11.823 195 HD12 LEU 6 HD12 LEU 6 -39.268 18.934 -12.386 196 HD13 LEU 6 HD13 LEU 6 -38.799 18.847 -10.672 197 HD21 LEU 6 HD21 LEU 6 -36.543 17.032 -13.773 198 HD22 LEU 6 HD22 LEU 6 -38.098 17.802 -14.058 199 HD23 LEU 6 HD23 LEU 6 -36.654 18.819 -13.696 200 H CYS 7 H CYS 7 -35.804 20.008 -12.179 201 HA CYS 7 HA CYS 7 -33.736 22.013 -11.509 202 HB2 CYS 7 HB2 CYS 7 -34.861 21.351 -13.719 203 HB3 CYS 7 HB3 CYS 7 -36.345 21.932 -13.087 204 H GLY 8 H GLY 8 -34.164 23.755 -10.075 205 HA2 GLY 8 HA2 GLY 8 -36.349 25.016 -9.072 206 HA3 GLY 8 HA3 GLY 8 -36.569 23.451 -8.355 207 H SER 9 H SER 9 -36.684 24.915 -6.853 208 HA SER 9 HA SER 9 -34.322 25.552 -5.081 209 HB2 SER 9 HB2 SER 9 -37.258 26.221 -5.243 210 HB3 SER 9 HB3 SER 9 -36.170 27.183 -4.177 211 HG SER 9 HG SER 9 -35.165 27.996 -6.066 212 H HIS 10 H HIS 10 -36.842 23.818 -5.084 213 HA HIS 10 HA HIS 10 -36.134 22.815 -2.580 214 HB2 HIS 10 HB2 HIS 10 -38.341 23.664 -4.283 215 HB3 HIS 10 HB3 HIS 10 -38.288 22.046 -4.559 216 HD2 HIS 10 HD2 HIS 10 -37.656 24.467 -1.980 217 HE1 HIS 10 HE1 HIS 10 -41.003 22.604 -0.067 218 HE2 HIS 10 HE2 HIS 10 -39.295 24.454 0.244 219 H LEU 11 H LEU 11 -35.899 21.937 -5.021 220 HA LEU 11 HA LEU 11 -33.988 20.861 -3.373 221 HB2 LEU 11 HB2 LEU 11 -33.185 19.006 -5.144 222 HB3 LEU 11 HB3 LEU 11 -34.939 18.938 -4.781 223 HG LEU 11 HG LEU 11 -34.107 18.810 -7.299 224 HD11 LEU 11 HD11 LEU 11 -36.484 18.617 -6.480 225 HD12 LEU 11 HD12 LEU 11 -36.575 20.391 -6.518 226 HD13 LEU 11 HD13 LEU 11 -36.361 19.508 -8.028 227 HD21 LEU 11 HD21 LEU 11 -34.710 21.780 -6.893 228 HD22 LEU 11 HD22 LEU 11 -33.135 21.098 -7.444 229 HD23 LEU 11 HD23 LEU 11 -34.523 20.964 -8.469 230 H VAL 12 H VAL 12 -33.989 23.175 -3.735 231 HA VAL 12 HA VAL 12 -31.277 22.717 -2.787 232 HB VAL 12 HB VAL 12 -33.105 24.919 -3.351 233 HG11 VAL 12 HG11 VAL 12 -30.848 25.591 -1.731 234 HG12 VAL 12 HG12 VAL 12 -31.773 26.773 -2.771 235 HG13 VAL 12 HG13 VAL 12 -32.642 25.660 -1.665 236 HG21 VAL 12 HG21 VAL 12 -32.583 24.392 -5.264 237 HG22 VAL 12 HG22 VAL 12 -31.655 25.903 -5.077 238 HG23 VAL 12 HG23 VAL 12 -30.824 24.283 -5.062 239 H GLU 13 H GLU 13 -34.292 23.633 -2.059 240 HA GLU 13 HA GLU 13 -33.475 22.395 0.359 241 HB2 GLU 13 HB2 GLU 13 -35.981 23.677 -0.621 242 HB3 GLU 13 HB3 GLU 13 -35.854 23.593 1.208 243 HG2 GLU 13 HG2 GLU 13 -34.128 25.419 0.987 244 HG3 GLU 13 HG3 GLU 13 -34.445 25.439 -0.740 245 HE2 GLU 13 HE2 GLU 13 -36.482 28.110 0.352 246 H ALA 14 H ALA 14 -34.366 21.455 -1.616 247 HA ALA 14 HA ALA 14 -34.406 19.111 0.321 248 HB1 ALA 14 HB1 ALA 14 -33.456 19.213 -2.509 249 HB2 ALA 14 HB2 ALA 14 -33.667 17.658 -1.570 250 HB3 ALA 14 HB3 ALA 14 -35.108 18.517 -2.185 251 H LEU 15 H LEU 15 -32.264 21.030 -1.707 252 HA LEU 15 HA LEU 15 -30.417 19.043 -1.047 253 HB2 LEU 15 HB2 LEU 15 -29.751 19.475 -3.082 254 HB3 LEU 15 HB3 LEU 15 -30.849 20.798 -3.147 255 HG LEU 15 HG LEU 15 -28.647 21.515 -3.848 256 HD11 LEU 15 HD11 LEU 15 -28.095 22.849 -1.274 257 HD12 LEU 15 HD12 LEU 15 -28.992 23.533 -2.654 258 HD13 LEU 15 HD13 LEU 15 -29.849 22.602 -1.461 259 HD21 LEU 15 HD21 LEU 15 -27.673 19.596 -2.471 260 HD22 LEU 15 HD22 LEU 15 -26.716 21.136 -2.483 261 HD23 LEU 15 HD23 LEU 15 -27.879 20.739 -1.162 262 H TYR 16 H TYR 16 -30.957 22.075 0.160 263 HA TYR 16 HA TYR 16 -28.987 22.555 2.148 264 HB2 TYR 16 HB2 TYR 16 -30.857 23.567 1.358 265 HB3 TYR 16 HB3 TYR 16 -31.985 22.813 2.067 266 HD1 TYR 16 HD1 TYR 16 -32.415 25.001 2.269 267 HD2 TYR 16 HD2 TYR 16 -28.910 23.679 3.963 268 HE1 TYR 16 HE1 TYR 16 -31.210 25.380 0.499 269 HE2 TYR 16 HE2 TYR 16 -27.728 24.588 2.151 270 HH TYR 16 HH TYR 16 -29.270 26.383 -0.465 271 H LEU 17 H LEU 17 -31.539 20.497 2.109 272 HA LEU 17 HA LEU 17 -31.396 19.534 4.811 273 HB2 LEU 17 HB2 LEU 17 -33.343 19.251 2.480 274 HB3 LEU 17 HB3 LEU 17 -33.589 18.571 4.078 275 HG LEU 17 HG LEU 17 -33.402 21.361 3.066 276 HD11 LEU 17 HD11 LEU 17 -35.580 20.127 4.822 277 HD12 LEU 17 HD12 LEU 17 -35.669 21.643 3.952 278 HD13 LEU 17 HD13 LEU 17 -35.579 20.109 3.049 279 HD21 LEU 17 HD21 LEU 17 -33.449 20.669 6.048 280 HD22 LEU 17 HD22 LEU 17 -32.215 21.600 5.223 281 HD23 LEU 17 HD23 LEU 17 -33.833 22.282 5.417 282 H VAL 18 H VAL 18 -30.328 18.536 2.032 283 HA VAL 18 HA VAL 18 -29.811 15.719 2.634 284 HB VAL 18 HB VAL 18 -29.905 17.558 0.316 285 HG11 VAL 18 HG11 VAL 18 -28.623 14.901 0.222 286 HG12 VAL 18 HG12 VAL 18 -29.453 15.671 -1.177 287 HG13 VAL 18 HG13 VAL 18 -28.165 16.573 -0.346 288 HG21 VAL 18 HG21 VAL 18 -31.806 16.833 1.279 289 HG22 VAL 18 HG22 VAL 18 -31.671 16.135 -0.333 290 HG23 VAL 18 HG23 VAL 18 -31.377 15.097 1.071 291 H CYS 19 H CYS 19 -28.241 18.126 1.229 292 HA CYS 19 HA CYS 19 -25.516 17.055 1.230 293 HB2 CYS 19 HB2 CYS 19 -27.003 18.399 -0.423 294 HB3 CYS 19 HB3 CYS 19 -26.624 19.769 0.493 295 H GLY 20 H GLY 20 -27.213 19.576 2.669 296 HA2 GLY 20 HA2 GLY 20 -27.782 19.223 4.930 297 HA3 GLY 20 HA3 GLY 20 -26.354 18.238 5.031 298 H GLU 21 H GLU 21 -24.755 18.705 6.306 299 HA GLU 21 HA GLU 21 -25.187 20.088 8.537 300 HB2 GLU 21 HB2 GLU 21 -22.892 18.786 6.995 301 HB3 GLU 21 HB3 GLU 21 -22.650 19.416 8.512 302 HG2 GLU 21 HG2 GLU 21 -24.624 17.304 7.688 303 HG3 GLU 21 HG3 GLU 21 -23.001 16.990 8.379 304 HE2 GLU 21 HE2 GLU 21 -25.299 16.430 11.099 305 H ARG 22 H ARG 22 -22.861 20.438 6.524 306 HA ARG 22 HA ARG 22 -21.100 22.645 6.628 307 HB2 ARG 22 HB2 ARG 22 -22.757 21.359 4.462 308 HB3 ARG 22 HB3 ARG 22 -21.245 22.215 4.088 309 HG2 ARG 22 HG2 ARG 22 -19.934 20.486 4.637 310 HG3 ARG 22 HG3 ARG 22 -20.827 20.140 6.114 311 HD2 ARG 22 HD2 ARG 22 -22.577 19.061 4.863 312 HD3 ARG 22 HD3 ARG 22 -21.818 19.443 3.329 313 HE ARG 22 HE ARG 22 -19.985 17.967 5.005 314 HH11 ARG 22 HH11 ARG 22 -22.770 17.493 2.873 315 HH12 ARG 22 HH12 ARG 22 -22.151 15.947 2.332 316 HH21 ARG 22 HH21 ARG 22 -19.295 16.010 4.190 317 HH22 ARG 22 HH22 ARG 22 -20.265 15.097 3.078 318 H GLY 23 H GLY 23 -20.974 24.233 5.095 319 HA2 GLY 23 HA2 GLY 23 -21.650 24.052 2.953 320 HA3 GLY 23 HA3 GLY 23 -23.071 23.827 3.607 321 H PHE 24 H PHE 24 -24.016 24.410 2.679 322 HA PHE 24 HA PHE 24 -23.033 24.363 0.634 323 HB2 PHE 24 HB2 PHE 24 -25.775 24.373 1.320 324 HB3 PHE 24 HB3 PHE 24 -25.687 24.179 -0.394 325 HD1 PHE 24 HD1 PHE 24 -22.990 22.723 1.926 326 HD2 PHE 24 HD2 PHE 24 -26.207 22.065 -0.696 327 HE1 PHE 24 HE1 PHE 24 -24.472 22.512 3.768 328 HE2 PHE 24 HE2 PHE 24 -27.542 22.692 0.841 329 HZ PHE 24 HZ PHE 24 -26.960 22.501 3.394 330 H PHE 25 H PHE 25 -22.923 25.025 -1.572 331 HA PHE 25 HA PHE 25 -21.620 27.058 -1.971 332 HB2 PHE 25 HB2 PHE 25 -22.294 24.745 -3.069 333 HB3 PHE 25 HB3 PHE 25 -23.501 25.547 -3.821 334 HD1 PHE 25 HD1 PHE 25 -20.285 25.854 -2.947 335 HD2 PHE 25 HD2 PHE 25 -23.337 26.914 -5.601 336 HE1 PHE 25 HE1 PHE 25 -19.679 28.075 -2.901 337 HE2 PHE 25 HE2 PHE 25 -22.146 28.954 -6.232 338 HZ PHE 25 HZ PHE 25 -20.232 29.681 -4.847 339 H TYR 26 H TYR 26 -24.410 26.473 -2.906 340 HA TYR 26 HA TYR 26 -24.923 27.788 -4.849 341 HB2 TYR 26 HB2 TYR 26 -26.206 26.214 -3.769 342 HB3 TYR 26 HB3 TYR 26 -27.485 27.498 -3.384 343 HD1 TYR 26 HD1 TYR 26 -25.731 27.208 -6.615 344 HD2 TYR 26 HD2 TYR 26 -29.176 26.273 -4.494 345 HE1 TYR 26 HE1 TYR 26 -24.871 25.480 -5.441 346 HE2 TYR 26 HE2 TYR 26 -28.791 23.843 -4.855 347 HH TYR 26 HH TYR 26 -25.251 22.986 -4.986 348 H THR 27 H THR 27 -26.317 28.980 -5.636 349 HA THR 27 HA THR 27 -25.549 31.745 -5.014 350 HB THR 27 HB THR 27 -24.035 29.959 -5.518 351 HG1 THR 27 HG1 THR 27 -23.291 31.986 -6.010 352 HG21 THR 27 HG21 THR 27 -24.050 28.461 -7.034 353 HG22 THR 27 HG22 THR 27 -25.583 29.139 -7.652 354 HG23 THR 27 HG23 THR 27 -24.026 29.672 -8.323 355 HA PRO 28 HA PRO 28 -28.711 33.144 -7.608 356 HB2 PRO 28 HB2 PRO 28 -28.202 35.832 -7.796 357 HB3 PRO 28 HB3 PRO 28 -28.433 34.988 -6.235 358 HG2 PRO 28 HG2 PRO 28 -25.814 35.657 -7.599 359 HG3 PRO 28 HG3 PRO 28 -26.292 36.004 -5.921 360 HD2 PRO 28 HD2 PRO 28 -24.839 33.763 -6.559 361 HD3 PRO 28 HD3 PRO 28 -26.062 33.793 -5.246 362 H LYS 29 H LYS 29 -26.847 31.787 -9.273 363 HA LYS 29 HA LYS 29 -26.451 33.420 -11.715 364 HB2 LYS 29 HB2 LYS 29 -25.324 30.744 -10.875 365 HB3 LYS 29 HB3 LYS 29 -24.957 31.556 -12.409 366 HG2 LYS 29 HG2 LYS 29 -23.988 33.459 -11.167 367 HG3 LYS 29 HG3 LYS 29 -24.435 32.770 -9.631 368 HD2 LYS 29 HD2 LYS 29 -22.999 30.834 -10.023 369 HD3 LYS 29 HD3 LYS 29 -22.567 31.415 -11.630 370 HE2 LYS 29 HE2 LYS 29 -20.754 31.883 -10.048 371 HE3 LYS 29 HE3 LYS 29 -21.476 33.378 -10.671 372 HZ1 LYS 29 HZ1 LYS 29 -21.069 33.377 -8.243 373 HZ2 LYS 29 HZ2 LYS 29 -22.632 33.654 -8.603 374 HZ3 LYS 29 HZ3 LYS 29 -22.194 32.177 -8.079 375 H ALA 30 H ALA 30 -29.100 32.543 -11.008 376 HA ALA 30 HA ALA 30 -29.941 31.307 -13.555 377 HB1 ALA 30 HB1 ALA 30 -29.827 29.407 -12.006 378 HB2 ALA 30 HB2 ALA 30 -30.828 30.277 -10.804 379 HB3 ALA 30 HB3 ALA 30 -31.505 29.795 -12.394 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -20.073 17.896 -10.702 2 H2 GLY 1 H2 GLY 1 -20.962 18.615 -11.838 3 H3 GLY 1 H3 GLY 1 -21.601 17.350 -11.047 4 HA2 GLY 1 HA2 GLY 1 -21.489 18.588 -8.908 5 HA3 GLY 1 HA3 GLY 1 -20.851 19.921 -9.808 6 H ILE 2 H ILE 2 -22.374 21.590 -10.110 7 HA ILE 2 HA ILE 2 -24.576 20.737 -8.693 8 HB ILE 2 HB ILE 2 -22.014 21.714 -8.299 9 HG12 ILE 2 HG12 ILE 2 -22.643 22.017 -5.889 10 HG13 ILE 2 HG13 ILE 2 -24.371 21.854 -6.382 11 HG21 ILE 2 HG21 ILE 2 -21.486 23.625 -7.916 12 HG22 ILE 2 HG22 ILE 2 -22.615 23.659 -9.344 13 HG23 ILE 2 HG23 ILE 2 -23.169 24.254 -7.652 14 HD11 ILE 2 HD11 ILE 2 -22.649 19.635 -5.952 15 HD12 ILE 2 HD12 ILE 2 -24.135 19.591 -6.939 16 HD13 ILE 2 HD13 ILE 2 -22.533 19.902 -7.669 17 H VAL 3 H VAL 3 -24.027 23.096 -11.007 18 HA VAL 3 HA VAL 3 -26.254 24.491 -9.950 19 HB VAL 3 HB VAL 3 -24.420 25.125 -12.053 20 HG11 VAL 3 HG11 VAL 3 -26.694 27.051 -11.106 21 HG12 VAL 3 HG12 VAL 3 -25.493 27.428 -12.330 22 HG13 VAL 3 HG13 VAL 3 -26.756 26.208 -12.616 23 HG21 VAL 3 HG21 VAL 3 -24.996 26.552 -9.433 24 HG22 VAL 3 HG22 VAL 3 -23.547 25.584 -9.780 25 HG23 VAL 3 HG23 VAL 3 -23.816 27.110 -10.584 26 H GLU 4 H GLU 4 -25.522 23.342 -12.526 27 HA GLU 4 HA GLU 4 -27.786 23.204 -13.918 28 HB2 GLU 4 HB2 GLU 4 -25.928 23.951 -15.659 29 HB3 GLU 4 HB3 GLU 4 -26.040 24.913 -14.130 30 HG2 GLU 4 HG2 GLU 4 -24.029 23.598 -13.282 31 HG3 GLU 4 HG3 GLU 4 -23.897 23.017 -14.980 32 HE2 GLU 4 HE2 GLU 4 -21.760 25.863 -14.566 33 H GLN 5 H GLN 5 -25.082 21.845 -13.955 34 HA GLN 5 HA GLN 5 -24.736 19.577 -15.202 35 HB2 GLN 5 HB2 GLN 5 -24.774 20.256 -12.346 36 HB3 GLN 5 HB3 GLN 5 -23.800 18.853 -12.951 37 HG2 GLN 5 HG2 GLN 5 -23.338 21.776 -12.802 38 HG3 GLN 5 HG3 GLN 5 -22.216 20.523 -12.543 39 HE21 GLN 5 HE21 GLN 5 -20.920 22.006 -15.611 40 HE22 GLN 5 HE22 GLN 5 -21.339 22.651 -14.031 41 H CYS 6 H CYS 6 -26.868 20.351 -12.565 42 HA CYS 6 HA CYS 6 -28.520 17.950 -12.465 43 HB2 CYS 6 HB2 CYS 6 -28.321 20.612 -11.109 44 HB3 CYS 6 HB3 CYS 6 -29.435 19.348 -10.528 45 H CYS 7 H CYS 7 -28.863 21.262 -13.271 46 HA CYS 7 HA CYS 7 -31.689 21.349 -13.157 47 HB2 CYS 7 HB2 CYS 7 -29.739 23.037 -13.055 48 HB3 CYS 7 HB3 CYS 7 -29.742 22.977 -14.744 49 H ALA 8 H ALA 8 -29.517 20.931 -16.034 50 HA ALA 8 HA ALA 8 -31.513 19.301 -17.508 51 HB1 ALA 8 HB1 ALA 8 -28.640 20.232 -17.890 52 HB2 ALA 8 HB2 ALA 8 -29.396 18.959 -18.924 53 HB3 ALA 8 HB3 ALA 8 -30.042 20.642 -18.911 54 H SER 9 H SER 9 -31.382 17.137 -17.490 55 HA SER 9 HA SER 9 -31.206 16.010 -14.909 56 HB2 SER 9 HB2 SER 9 -32.714 15.745 -16.857 57 HB3 SER 9 HB3 SER 9 -31.454 14.791 -17.529 58 HG SER 9 HG SER 9 -33.440 13.898 -16.292 59 H VAL 10 H VAL 10 -30.833 13.777 -15.564 60 HA VAL 10 HA VAL 10 -30.519 14.280 -13.549 61 HB VAL 10 HB VAL 10 -31.478 12.345 -14.703 62 HG11 VAL 10 HG11 VAL 10 -28.917 10.966 -14.262 63 HG12 VAL 10 HG12 VAL 10 -30.516 10.207 -14.663 64 HG13 VAL 10 HG13 VAL 10 -29.866 11.523 -15.723 65 HG21 VAL 10 HG21 VAL 10 -31.937 11.093 -12.757 66 HG22 VAL 10 HG22 VAL 10 -30.729 12.116 -11.878 67 HG23 VAL 10 HG23 VAL 10 -32.108 12.867 -12.784 68 H CYS 11 H CYS 11 -29.431 14.224 -11.531 69 HA CYS 11 HA CYS 11 -26.477 13.766 -11.420 70 HB2 CYS 11 HB2 CYS 11 -26.104 16.019 -11.088 71 HB3 CYS 11 HB3 CYS 11 -27.460 16.171 -12.111 72 H SER 12 H SER 12 -25.716 12.708 -9.574 73 HA SER 12 HA SER 12 -27.106 11.715 -7.615 74 HB2 SER 12 HB2 SER 12 -24.288 11.969 -8.011 75 HB3 SER 12 HB3 SER 12 -25.318 10.558 -7.813 76 HG SER 12 HG SER 12 -24.352 10.447 -9.783 77 H LEU 13 H LEU 13 -25.462 11.416 -6.183 78 HA LEU 13 HA LEU 13 -25.406 13.144 -3.733 79 HB2 LEU 13 HB2 LEU 13 -24.050 10.611 -4.747 80 HB3 LEU 13 HB3 LEU 13 -24.620 10.890 -3.049 81 HG LEU 13 HG LEU 13 -26.257 9.942 -5.492 82 HD11 LEU 13 HD11 LEU 13 -25.434 8.757 -2.924 83 HD12 LEU 13 HD12 LEU 13 -26.699 8.110 -4.046 84 HD13 LEU 13 HD13 LEU 13 -25.059 8.437 -4.639 85 HD21 LEU 13 HD21 LEU 13 -27.294 11.212 -3.016 86 HD22 LEU 13 HD22 LEU 13 -27.471 11.508 -4.765 87 HD23 LEU 13 HD23 LEU 13 -28.201 10.024 -3.990 88 H TYR 14 H TYR 14 -23.226 12.021 -6.097 89 HA TYR 14 HA TYR 14 -21.161 13.968 -5.225 90 HB2 TYR 14 HB2 TYR 14 -21.407 11.497 -5.772 91 HB3 TYR 14 HB3 TYR 14 -21.858 11.950 -7.418 92 HD1 TYR 14 HD1 TYR 14 -19.384 12.395 -5.029 93 HD2 TYR 14 HD2 TYR 14 -20.490 10.934 -8.689 94 HE1 TYR 14 HE1 TYR 14 -18.654 10.065 -4.267 95 HE2 TYR 14 HE2 TYR 14 -21.601 9.781 -6.984 96 HH TYR 14 HH TYR 14 -19.712 8.023 -4.391 97 H GLN 15 H GLN 15 -23.055 14.209 -6.790 98 HA GLN 15 HA GLN 15 -22.009 16.848 -7.762 99 HB2 GLN 15 HB2 GLN 15 -24.576 15.903 -6.847 100 HB3 GLN 15 HB3 GLN 15 -24.416 17.454 -7.770 101 HG2 GLN 15 HG2 GLN 15 -24.600 14.553 -8.154 102 HG3 GLN 15 HG3 GLN 15 -25.592 15.739 -8.935 103 HE21 GLN 15 HE21 GLN 15 -23.258 15.933 -11.794 104 HE22 GLN 15 HE22 GLN 15 -24.090 17.079 -10.727 105 H LEU 16 H LEU 16 -23.971 15.650 -5.451 106 HA LEU 16 HA LEU 16 -23.404 17.411 -3.508 107 HB2 LEU 16 HB2 LEU 16 -25.043 15.019 -4.293 108 HB3 LEU 16 HB3 LEU 16 -25.358 15.330 -2.844 109 HG LEU 16 HG LEU 16 -25.925 16.413 -5.480 110 HD11 LEU 16 HD11 LEU 16 -27.480 16.771 -3.000 111 HD12 LEU 16 HD12 LEU 16 -28.029 16.975 -4.720 112 HD13 LEU 16 HD13 LEU 16 -27.403 15.411 -4.178 113 HD21 LEU 16 HD21 LEU 16 -24.575 18.015 -5.275 114 HD22 LEU 16 HD22 LEU 16 -26.222 18.729 -5.266 115 HD23 LEU 16 HD23 LEU 16 -25.287 18.728 -3.753 116 H GLU 17 H GLU 17 -21.704 15.104 -3.659 117 HA GLU 17 HA GLU 17 -20.385 15.410 -0.981 118 HB2 GLU 17 HB2 GLU 17 -19.501 14.232 -3.633 119 HB3 GLU 17 HB3 GLU 17 -18.651 13.973 -2.034 120 HG2 GLU 17 HG2 GLU 17 -21.321 13.182 -1.710 121 HG3 GLU 17 HG3 GLU 17 -20.935 13.170 -3.450 122 HE2 GLU 17 HE2 GLU 17 -20.443 9.748 -2.331 123 H ASN 18 H ASN 18 -19.868 15.837 -4.330 124 HA ASN 18 HA ASN 18 -17.240 16.241 -4.392 125 HB2 ASN 18 HB3 ASN 18 -19.358 16.211 -6.015 126 HB3 ASN 18 HB2 ASN 18 -18.894 17.494 -6.465 127 HD21 ASN 18 HD21 ASN 18 -17.915 14.787 -5.862 128 HD22 ASN 18 HD22 ASN 18 -16.813 14.216 -7.195 129 H TYR 19 H TYR 19 -19.369 18.398 -5.122 130 HA TYR 19 HA TYR 19 -18.433 21.040 -5.333 131 HB2 TYR 19 HB2 TYR 19 -20.753 19.482 -5.066 132 HB3 TYR 19 HB3 TYR 19 -20.870 21.120 -4.709 133 HD1 TYR 19 HD1 TYR 19 -19.964 22.750 -6.549 134 HD2 TYR 19 HD2 TYR 19 -20.604 18.627 -6.862 135 HE1 TYR 19 HE1 TYR 19 -20.066 22.408 -9.086 136 HE2 TYR 19 HE2 TYR 19 -18.602 19.537 -6.887 137 HH TYR 19 HH TYR 19 -18.559 21.090 -10.678 138 H CYS 20 H CYS 20 -20.210 19.751 -3.230 139 HA CYS 20 HA CYS 20 -21.269 21.748 -1.622 140 HB2 CYS 20 HB2 CYS 20 -22.119 19.469 -2.156 141 HB3 CYS 20 HB3 CYS 20 -20.774 18.737 -1.427 142 H ASN 21 H ASN 21 -20.201 23.131 -0.390 143 HA ASN 21 HA ASN 21 -17.795 22.688 0.953 144 HB2 ASN 21 HB2 ASN 21 -18.588 24.547 -0.444 145 HB3 ASN 21 HB3 ASN 21 -19.879 24.880 0.690 146 HD21 ASN 21 HD21 ASN 21 -17.771 26.543 3.016 147 HD22 ASN 21 HD22 ASN 21 -19.256 25.566 2.856 148 H1 PHE 1 H1 PHE 1 -30.303 8.388 -11.059 149 H2 PHE 1 H2 PHE 1 -28.761 8.955 -11.111 150 H3 PHE 1 H3 PHE 1 -29.946 9.821 -10.376 151 HA PHE 1 HA PHE 1 -28.946 7.198 -9.490 152 HB2 PHE 1 HB2 PHE 1 -27.455 9.174 -9.259 153 HB3 PHE 1 HB3 PHE 1 -28.560 9.750 -7.915 154 HD1 PHE 1 HD1 PHE 1 -28.075 8.686 -5.611 155 HD2 PHE 1 HD2 PHE 1 -26.805 7.077 -9.408 156 HE1 PHE 1 HE1 PHE 1 -28.483 6.407 -4.840 157 HE2 PHE 1 HE2 PHE 1 -27.988 5.267 -8.958 158 HZ PHE 1 HZ PHE 1 -28.579 4.534 -6.502 159 H VAL 2 H VAL 2 -29.718 8.479 -6.777 160 HA VAL 2 HA VAL 2 -32.567 7.988 -6.514 161 HB VAL 2 HB VAL 2 -30.242 8.848 -4.811 162 HG11 VAL 2 HG11 VAL 2 -33.219 8.942 -3.873 163 HG12 VAL 2 HG12 VAL 2 -31.832 9.084 -2.804 164 HG13 VAL 2 HG13 VAL 2 -32.172 10.355 -3.965 165 HG21 VAL 2 HG21 VAL 2 -30.852 6.444 -5.182 166 HG22 VAL 2 HG22 VAL 2 -30.972 6.915 -3.463 167 HG23 VAL 2 HG23 VAL 2 -32.439 6.744 -4.430 168 H ASN 3 H ASN 3 -30.367 10.403 -6.073 169 HA ASN 3 HA ASN 3 -32.033 12.682 -6.616 170 HB2 ASN 3 HB2 ASN 3 -29.214 12.225 -6.266 171 HB3 ASN 3 HB3 ASN 3 -29.844 13.874 -6.903 172 HD21 ASN 3 HD21 ASN 3 -31.114 11.861 -4.831 173 HD22 ASN 3 HD22 ASN 3 -29.731 11.605 -4.267 174 H GLN 4 H GLN 4 -31.797 13.999 -8.129 175 HA GLN 4 HA GLN 4 -32.541 12.789 -10.619 176 HB2 GLN 4 HB2 GLN 4 -34.659 13.239 -9.736 177 HB3 GLN 4 HB3 GLN 4 -33.635 12.571 -8.576 178 HG2 GLN 4 HG2 GLN 4 -33.226 14.931 -7.600 179 HG3 GLN 4 HG3 GLN 4 -34.766 15.210 -8.407 180 HE21 GLN 4 HE21 GLN 4 -34.912 12.398 -5.322 181 HE22 GLN 4 HE22 GLN 4 -33.769 11.998 -6.526 182 H HIS 5 H HIS 5 -33.930 14.753 -10.377 183 HA HIS 5 HA HIS 5 -33.325 14.977 -12.986 184 HB2 HIS 5 HB2 HIS 5 -35.393 14.717 -11.258 185 HB3 HIS 5 HB3 HIS 5 -35.851 15.983 -11.827 186 HD2 HIS 5 HD2 HIS 5 -37.514 13.697 -11.962 187 HE1 HIS 5 HE1 HIS 5 -34.199 13.131 -12.036 188 HE2 HIS 5 HE2 HIS 5 -36.179 11.667 -11.621 189 H LEU 6 H LEU 6 -34.462 16.909 -11.090 190 HA LEU 6 HA LEU 6 -34.891 19.082 -12.551 191 HB2 LEU 6 HB2 LEU 6 -35.908 18.087 -10.091 192 HB3 LEU 6 HB3 LEU 6 -35.688 19.841 -9.993 193 HG LEU 6 HG LEU 6 -37.869 18.372 -11.132 194 HD11 LEU 6 HD11 LEU 6 -37.173 21.398 -11.086 195 HD12 LEU 6 HD12 LEU 6 -38.833 20.685 -11.187 196 HD13 LEU 6 HD13 LEU 6 -37.862 20.483 -9.703 197 HD21 LEU 6 HD21 LEU 6 -36.929 18.513 -13.393 198 HD22 LEU 6 HD22 LEU 6 -38.275 19.655 -13.186 199 HD23 LEU 6 HD23 LEU 6 -36.617 20.280 -13.153 200 H CYS 7 H CYS 7 -35.259 21.090 -11.812 201 HA CYS 7 HA CYS 7 -32.690 22.540 -11.732 202 HB2 CYS 7 HB2 CYS 7 -34.168 21.631 -13.646 203 HB3 CYS 7 HB3 CYS 7 -35.288 22.840 -13.176 204 H GLY 8 H GLY 8 -35.205 22.363 -9.786 205 HA2 GLY 8 HA2 GLY 8 -36.084 25.086 -9.220 206 HA3 GLY 8 HA3 GLY 8 -36.344 23.692 -8.265 207 H SER 9 H SER 9 -36.271 25.375 -7.014 208 HA SER 9 HA SER 9 -33.749 25.891 -5.471 209 HB2 SER 9 HB2 SER 9 -36.550 26.934 -5.572 210 HB3 SER 9 HB3 SER 9 -35.292 27.883 -4.663 211 HG SER 9 HG SER 9 -35.835 28.903 -6.671 212 H HIS 10 H HIS 10 -36.454 24.624 -5.077 213 HA HIS 10 HA HIS 10 -35.549 23.849 -2.586 214 HB2 HIS 10 HB2 HIS 10 -37.879 24.744 -4.146 215 HB3 HIS 10 HB3 HIS 10 -38.000 23.138 -4.269 216 HD2 HIS 10 HD2 HIS 10 -36.828 25.644 -2.136 217 HE1 HIS 10 HE1 HIS 10 -39.672 24.068 0.690 218 HE2 HIS 10 HE2 HIS 10 -37.833 25.801 0.449 219 H LEU 11 H LEU 11 -35.726 22.687 -4.811 220 HA LEU 11 HA LEU 11 -33.726 21.733 -3.236 221 HB2 LEU 11 HB2 LEU 11 -33.269 19.515 -4.848 222 HB3 LEU 11 HB3 LEU 11 -34.958 19.665 -4.237 223 HG LEU 11 HG LEU 11 -34.430 19.132 -6.819 224 HD11 LEU 11 HD11 LEU 11 -36.691 21.029 -6.027 225 HD12 LEU 11 HD12 LEU 11 -36.631 19.881 -7.380 226 HD13 LEU 11 HD13 LEU 11 -36.683 19.309 -5.717 227 HD21 LEU 11 HD21 LEU 11 -33.362 21.341 -7.389 228 HD22 LEU 11 HD22 LEU 11 -34.901 21.089 -8.189 229 HD23 LEU 11 HD23 LEU 11 -34.831 22.150 -6.753 230 H VAL 12 H VAL 12 -33.528 23.957 -3.893 231 HA VAL 12 HA VAL 12 -30.879 23.124 -3.178 232 HB VAL 12 HB VAL 12 -32.411 25.491 -3.856 233 HG11 VAL 12 HG11 VAL 12 -30.340 26.254 -2.219 234 HG12 VAL 12 HG12 VAL 12 -31.163 27.379 -3.393 235 HG13 VAL 12 HG13 VAL 12 -32.105 26.321 -2.291 236 HG21 VAL 12 HG21 VAL 12 -32.109 24.794 -5.652 237 HG22 VAL 12 HG22 VAL 12 -31.213 26.370 -5.687 238 HG23 VAL 12 HG23 VAL 12 -30.290 24.817 -5.638 239 H GLU 13 H GLU 13 -33.594 24.443 -2.285 240 HA GLU 13 HA GLU 13 -32.657 23.346 0.156 241 HB2 GLU 13 HB2 GLU 13 -35.108 24.795 -0.737 242 HB3 GLU 13 HB3 GLU 13 -34.883 24.932 1.096 243 HG2 GLU 13 HG2 GLU 13 -32.960 26.551 0.414 244 HG3 GLU 13 HG3 GLU 13 -33.738 26.482 -1.192 245 HE2 GLU 13 HE2 GLU 13 -35.175 29.362 0.286 246 H ALA 14 H ALA 14 -33.836 22.401 -1.613 247 HA ALA 14 HA ALA 14 -33.901 20.292 0.565 248 HB1 ALA 14 HB1 ALA 14 -33.329 20.040 -2.325 249 HB2 ALA 14 HB2 ALA 14 -33.452 18.595 -1.275 250 HB3 ALA 14 HB3 ALA 14 -34.964 19.466 -1.745 251 H LEU 15 H LEU 15 -31.834 21.760 -1.820 252 HA LEU 15 HA LEU 15 -30.176 19.594 -1.155 253 HB2 LEU 15 HB2 LEU 15 -29.674 19.686 -3.274 254 HB3 LEU 15 HB3 LEU 15 -30.641 21.112 -3.436 255 HG LEU 15 HG LEU 15 -28.293 21.194 -4.422 256 HD11 LEU 15 HD11 LEU 15 -27.542 23.359 -2.967 257 HD12 LEU 15 HD12 LEU 15 -29.010 23.403 -3.999 258 HD13 LEU 15 HD13 LEU 15 -29.187 23.045 -2.234 259 HD21 LEU 15 HD21 LEU 15 -27.632 19.973 -2.112 260 HD22 LEU 15 HD22 LEU 15 -26.492 21.048 -2.925 261 HD23 LEU 15 HD23 LEU 15 -27.590 21.694 -1.602 262 H TYR 16 H TYR 16 -30.187 22.753 -0.388 263 HA TYR 16 HA TYR 16 -28.074 23.380 1.415 264 HB2 TYR 16 HB2 TYR 16 -29.863 24.364 0.813 265 HB3 TYR 16 HB3 TYR 16 -31.057 23.654 1.417 266 HD1 TYR 16 HD1 TYR 16 -31.694 25.595 1.866 267 HD2 TYR 16 HD2 TYR 16 -27.931 24.613 3.179 268 HE1 TYR 16 HE1 TYR 16 -30.698 26.031 -0.012 269 HE2 TYR 16 HE2 TYR 16 -27.132 25.517 1.267 270 HH TYR 16 HH TYR 16 -28.919 27.346 -1.127 271 H LEU 17 H LEU 17 -30.737 21.483 1.895 272 HA LEU 17 HA LEU 17 -30.373 20.910 4.637 273 HB2 LEU 17 HB2 LEU 17 -32.650 20.610 2.565 274 HB3 LEU 17 HB3 LEU 17 -32.780 20.249 4.247 275 HG LEU 17 HG LEU 17 -32.315 22.800 2.865 276 HD11 LEU 17 HD11 LEU 17 -34.359 22.181 5.074 277 HD12 LEU 17 HD12 LEU 17 -34.383 23.576 3.964 278 HD13 LEU 17 HD13 LEU 17 -34.669 21.916 3.373 279 HD21 LEU 17 HD21 LEU 17 -32.271 24.047 5.085 280 HD22 LEU 17 HD22 LEU 17 -32.061 22.470 5.895 281 HD23 LEU 17 HD23 LEU 17 -30.809 23.095 4.813 282 H VAL 18 H VAL 18 -29.850 19.384 2.044 283 HA VAL 18 HA VAL 18 -29.851 16.600 2.909 284 HB VAL 18 HB VAL 18 -29.615 18.363 0.580 285 HG11 VAL 18 HG11 VAL 18 -28.359 15.777 0.225 286 HG12 VAL 18 HG12 VAL 18 -29.180 16.704 -1.086 287 HG13 VAL 18 HG13 VAL 18 -27.941 17.532 -0.106 288 HG21 VAL 18 HG21 VAL 18 -31.489 17.838 1.451 289 HG22 VAL 18 HG22 VAL 18 -31.413 17.244 -0.261 290 HG23 VAL 18 HG23 VAL 18 -31.348 16.064 1.104 291 H CYS 19 H CYS 19 -27.832 18.666 1.724 292 HA CYS 19 HA CYS 19 -25.283 17.149 1.690 293 HB2 CYS 19 HB2 CYS 19 -26.449 19.227 0.383 294 HB3 CYS 19 HB3 CYS 19 -25.552 20.166 1.479 295 H GLY 20 H GLY 20 -26.645 19.699 3.369 296 HA2 GLY 20 HA2 GLY 20 -27.422 19.504 5.573 297 HA3 GLY 20 HA3 GLY 20 -26.416 18.001 5.629 298 H GLU 21 H GLU 21 -24.316 17.966 6.143 299 HA GLU 21 HA GLU 21 -23.168 19.090 8.399 300 HB2 GLU 21 HB2 GLU 21 -22.513 17.618 5.823 301 HB3 GLU 21 HB3 GLU 21 -21.319 18.050 6.991 302 HG2 GLU 21 HG2 GLU 21 -23.713 16.356 7.311 303 HG3 GLU 21 HG3 GLU 21 -22.077 15.847 6.901 304 HE2 GLU 21 HE2 GLU 21 -22.519 15.126 10.463 305 H ARG 22 H ARG 22 -22.104 19.219 5.443 306 HA ARG 22 HA ARG 22 -21.024 21.787 4.698 307 HB2 ARG 22 HB2 ARG 22 -22.659 19.679 3.305 308 HB3 ARG 22 HB3 ARG 22 -21.747 20.882 2.403 309 HG2 ARG 22 HG2 ARG 22 -19.757 19.591 2.749 310 HG3 ARG 22 HG3 ARG 22 -20.164 19.376 4.491 311 HD2 ARG 22 HD2 ARG 22 -21.748 17.720 3.980 312 HD3 ARG 22 HD3 ARG 22 -21.340 17.786 2.233 313 HE ARG 22 HE ARG 22 -18.903 17.311 3.537 314 HH11 ARG 22 HH11 ARG 22 -21.952 15.569 3.256 315 HH12 ARG 22 HH12 ARG 22 -21.164 14.017 3.370 316 HH21 ARG 22 HH21 ARG 22 -17.990 15.265 3.703 317 HH22 ARG 22 HH22 ARG 22 -19.021 13.856 3.593 318 H GLY 23 H GLY 23 -21.797 23.502 3.824 319 HA2 GLY 23 HA2 GLY 23 -24.559 23.993 3.354 320 HA3 GLY 23 HA3 GLY 23 -24.109 24.912 4.674 321 H PHE 24 H PHE 24 -22.910 23.658 1.974 322 HA PHE 24 HA PHE 24 -22.925 23.734 0.198 323 HB2 PHE 24 HB2 PHE 24 -25.079 25.418 1.113 324 HB3 PHE 24 HB3 PHE 24 -25.117 24.952 -0.721 325 HD1 PHE 24 HD1 PHE 24 -24.132 22.666 2.004 326 HD2 PHE 24 HD2 PHE 24 -26.900 23.613 -0.942 327 HE1 PHE 24 HE1 PHE 24 -22.824 21.693 0.669 328 HE2 PHE 24 HE2 PHE 24 -25.407 23.208 -2.432 329 HZ PHE 24 HZ PHE 24 -23.318 21.735 -1.903 330 H PHE 25 H PHE 25 -22.220 24.039 -1.918 331 HA PHE 25 HA PHE 25 -20.390 25.331 -2.564 332 HB2 PHE 25 HB2 PHE 25 -22.166 23.444 -3.352 333 HB3 PHE 25 HB3 PHE 25 -22.816 24.679 -4.139 334 HD1 PHE 25 HD1 PHE 25 -19.938 23.441 -3.286 335 HD2 PHE 25 HD2 PHE 25 -22.178 25.720 -5.931 336 HE1 PHE 25 HE1 PHE 25 -18.259 25.045 -3.449 337 HE2 PHE 25 HE2 PHE 25 -20.219 26.972 -6.626 338 HZ PHE 25 HZ PHE 25 -18.063 26.639 -5.393 339 H TYR 26 H TYR 26 -23.123 25.903 -3.251 340 HA TYR 26 HA TYR 26 -23.211 27.145 -5.338 341 HB2 TYR 26 HB2 TYR 26 -24.894 26.289 -4.224 342 HB3 TYR 26 HB3 TYR 26 -25.564 28.004 -3.919 343 HD1 TYR 26 HD1 TYR 26 -24.140 26.792 -7.074 344 HD2 TYR 26 HD2 TYR 26 -27.658 27.380 -4.865 345 HE1 TYR 26 HE1 TYR 26 -24.026 25.017 -5.712 346 HE2 TYR 26 HE2 TYR 26 -28.246 25.016 -5.226 347 HH TYR 26 HH TYR 26 -25.333 22.834 -5.394 348 H THR 27 H THR 27 -24.146 28.700 -6.308 349 HA THR 27 HA THR 27 -22.147 30.589 -6.338 350 HB THR 27 HB THR 27 -22.801 30.195 -8.694 351 HG1 THR 27 HG1 THR 27 -24.869 29.651 -8.656 352 HG21 THR 27 HG21 THR 27 -22.306 27.684 -6.984 353 HG22 THR 27 HG22 THR 27 -21.963 27.859 -8.724 354 HG23 THR 27 HG23 THR 27 -21.083 28.875 -7.545 355 HA PRO 28 HA PRO 28 -24.651 34.225 -6.295 356 HB2 PRO 28 HB2 PRO 28 -22.931 36.147 -7.086 357 HB3 PRO 28 HB3 PRO 28 -22.746 35.261 -5.556 358 HG2 PRO 28 HG2 PRO 28 -21.356 34.717 -8.183 359 HG3 PRO 28 HG3 PRO 28 -20.613 34.849 -6.573 360 HD2 PRO 28 HD2 PRO 28 -21.269 32.428 -7.660 361 HD3 PRO 28 HD3 PRO 28 -21.402 32.718 -5.893 362 H LYS 29 H LYS 29 -23.171 33.194 -9.296 363 HA LYS 29 HA LYS 29 -23.478 33.619 -11.495 364 HB2 LYS 29 HB2 LYS 29 -26.431 33.725 -10.720 365 HB3 LYS 29 HB3 LYS 29 -25.754 33.371 -12.325 366 HG2 LYS 29 HG2 LYS 29 -24.679 31.335 -11.508 367 HG3 LYS 29 HG3 LYS 29 -25.297 31.646 -9.881 368 HD2 LYS 29 HD2 LYS 29 -26.683 29.972 -10.938 369 HD3 LYS 29 HD3 LYS 29 -27.623 31.429 -10.634 370 HE2 LYS 29 HE2 LYS 29 -27.360 32.155 -12.946 371 HE3 LYS 29 HE3 LYS 29 -26.408 30.750 -13.341 372 HZ1 LYS 29 HZ1 LYS 29 -28.379 29.383 -12.766 373 HZ2 LYS 29 HZ2 LYS 29 -29.257 30.750 -12.482 374 HZ3 LYS 29 HZ3 LYS 29 -28.719 30.396 -13.970 375 H ALA 30 H ALA 30 -22.637 35.810 -10.216 376 HA ALA 30 HA ALA 30 -23.582 38.062 -11.878 377 HB1 ALA 30 HB1 ALA 30 -23.927 39.500 -9.865 378 HB2 ALA 30 HB2 ALA 30 -25.031 38.128 -9.817 379 HB3 ALA 30 HB3 ALA 30 -23.530 38.140 -8.831 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -21.624 20.478 -12.200 2 H2 GLY 1 H2 GLY 1 -21.928 18.994 -11.551 3 H3 GLY 1 H3 GLY 1 -20.509 19.727 -11.202 4 HA2 GLY 1 HA2 GLY 1 -21.882 19.871 -9.279 5 HA3 GLY 1 HA3 GLY 1 -21.556 21.434 -9.951 6 H ILE 2 H ILE 2 -23.320 22.806 -10.099 7 HA ILE 2 HA ILE 2 -25.345 21.534 -8.796 8 HB ILE 2 HB ILE 2 -22.931 22.916 -8.410 9 HG12 ILE 2 HG12 ILE 2 -23.433 22.876 -5.938 10 HG13 ILE 2 HG13 ILE 2 -25.079 22.374 -6.356 11 HG21 ILE 2 HG21 ILE 2 -22.728 24.835 -7.814 12 HG22 ILE 2 HG22 ILE 2 -23.928 24.804 -9.184 13 HG23 ILE 2 HG23 ILE 2 -24.467 25.138 -7.485 14 HD11 ILE 2 HD11 ILE 2 -22.971 20.496 -6.273 15 HD12 ILE 2 HD12 ILE 2 -24.432 20.310 -7.260 16 HD13 ILE 2 HD13 ILE 2 -22.985 21.058 -7.928 17 H VAL 3 H VAL 3 -25.218 24.096 -10.880 18 HA VAL 3 HA VAL 3 -27.550 25.108 -9.640 19 HB VAL 3 HB VAL 3 -25.962 26.116 -11.786 20 HG11 VAL 3 HG11 VAL 3 -27.293 28.257 -11.833 21 HG12 VAL 3 HG12 VAL 3 -28.427 26.951 -12.178 22 HG13 VAL 3 HG13 VAL 3 -28.366 27.616 -10.570 23 HG21 VAL 3 HG21 VAL 3 -24.978 26.567 -9.623 24 HG22 VAL 3 HG22 VAL 3 -25.527 28.069 -10.298 25 HG23 VAL 3 HG23 VAL 3 -26.506 27.257 -9.075 26 H GLU 4 H GLU 4 -26.814 24.260 -12.325 27 HA GLU 4 HA GLU 4 -29.068 23.804 -13.649 28 HB2 GLU 4 HB2 GLU 4 -27.449 24.978 -15.412 29 HB3 GLU 4 HB3 GLU 4 -27.672 25.797 -13.784 30 HG2 GLU 4 HG2 GLU 4 -25.459 24.818 -13.136 31 HG3 GLU 4 HG3 GLU 4 -25.266 24.391 -14.876 32 HE2 GLU 4 HE2 GLU 4 -23.555 27.477 -14.314 33 H GLN 5 H GLN 5 -26.203 22.916 -13.822 34 HA GLN 5 HA GLN 5 -25.463 20.812 -15.268 35 HB2 GLN 5 HB2 GLN 5 -25.596 21.328 -12.340 36 HB3 GLN 5 HB3 GLN 5 -24.485 20.153 -13.015 37 HG2 GLN 5 HG2 GLN 5 -24.380 23.141 -12.788 38 HG3 GLN 5 HG3 GLN 5 -23.087 22.023 -12.560 39 HE21 GLN 5 HE21 GLN 5 -22.235 23.840 -15.655 40 HE22 GLN 5 HE22 GLN 5 -22.669 24.378 -14.035 41 H CYS 6 H CYS 6 -27.652 20.996 -12.566 42 HA CYS 6 HA CYS 6 -28.862 18.380 -12.738 43 HB2 CYS 6 HB2 CYS 6 -29.129 20.895 -11.121 44 HB3 CYS 6 HB3 CYS 6 -30.010 19.381 -10.654 45 H CYS 7 H CYS 7 -29.809 21.610 -13.195 46 HA CYS 7 HA CYS 7 -32.614 21.197 -13.180 47 HB2 CYS 7 HB2 CYS 7 -30.996 23.191 -12.779 48 HB3 CYS 7 HB3 CYS 7 -30.937 23.333 -14.467 49 H ALA 8 H ALA 8 -30.333 21.521 -15.968 50 HA ALA 8 HA ALA 8 -32.028 19.717 -17.644 51 HB1 ALA 8 HB1 ALA 8 -29.985 19.922 -19.109 52 HB2 ALA 8 HB2 ALA 8 -30.805 21.477 -18.861 53 HB3 ALA 8 HB3 ALA 8 -29.342 21.100 -17.914 54 H SER 9 H SER 9 -31.520 17.573 -17.824 55 HA SER 9 HA SER 9 -31.239 16.406 -15.249 56 HB2 SER 9 HB2 SER 9 -32.640 16.006 -17.222 57 HB3 SER 9 HB3 SER 9 -31.241 15.248 -17.911 58 HG SER 9 HG SER 9 -32.957 13.927 -16.874 59 H VAL 10 H VAL 10 -30.531 14.290 -15.928 60 HA VAL 10 HA VAL 10 -30.211 14.684 -13.802 61 HB VAL 10 HB VAL 10 -30.981 12.744 -15.115 62 HG11 VAL 10 HG11 VAL 10 -28.263 11.634 -14.940 63 HG12 VAL 10 HG12 VAL 10 -29.745 10.768 -15.423 64 HG13 VAL 10 HG13 VAL 10 -29.284 12.271 -16.288 65 HG21 VAL 10 HG21 VAL 10 -31.632 12.965 -13.203 66 HG22 VAL 10 HG22 VAL 10 -31.165 11.254 -13.329 67 HG23 VAL 10 HG23 VAL 10 -30.133 12.367 -12.349 68 H CYS 11 H CYS 11 -29.125 14.568 -11.924 69 HA CYS 11 HA CYS 11 -26.116 14.498 -11.914 70 HB2 CYS 11 HB2 CYS 11 -26.018 16.741 -11.310 71 HB3 CYS 11 HB3 CYS 11 -27.384 16.813 -12.352 72 H SER 12 H SER 12 -25.066 13.582 -10.152 73 HA SER 12 HA SER 12 -26.028 12.108 -8.265 74 HB2 SER 12 HB2 SER 12 -23.446 13.102 -8.501 75 HB3 SER 12 HB3 SER 12 -24.085 11.487 -8.696 76 HG SER 12 HG SER 12 -23.020 11.942 -10.532 77 H LEU 13 H LEU 13 -24.488 12.070 -6.784 78 HA LEU 13 HA LEU 13 -24.626 13.731 -4.269 79 HB2 LEU 13 HB2 LEU 13 -22.965 11.416 -5.365 80 HB3 LEU 13 HB3 LEU 13 -23.491 11.562 -3.668 81 HG LEU 13 HG LEU 13 -25.056 10.539 -6.147 82 HD11 LEU 13 HD11 LEU 13 -24.091 9.276 -3.656 83 HD12 LEU 13 HD12 LEU 13 -25.248 8.608 -4.845 84 HD13 LEU 13 HD13 LEU 13 -23.639 9.138 -5.396 85 HD21 LEU 13 HD21 LEU 13 -26.523 11.821 -5.410 86 HD22 LEU 13 HD22 LEU 13 -26.985 10.254 -4.664 87 HD23 LEU 13 HD23 LEU 13 -26.213 11.532 -3.641 88 H TYR 14 H TYR 14 -22.357 12.937 -6.723 89 HA TYR 14 HA TYR 14 -20.579 15.158 -5.815 90 HB2 TYR 14 HB2 TYR 14 -20.469 12.698 -6.387 91 HB3 TYR 14 HB3 TYR 14 -21.022 13.039 -8.019 92 HD1 TYR 14 HD1 TYR 14 -18.550 13.954 -5.800 93 HD2 TYR 14 HD2 TYR 14 -19.573 12.098 -9.294 94 HE1 TYR 14 HE1 TYR 14 -17.576 11.793 -4.839 95 HE2 TYR 14 HE2 TYR 14 -20.503 10.926 -7.514 96 HH TYR 14 HH TYR 14 -18.298 9.589 -4.826 97 H GLN 15 H GLN 15 -22.511 15.182 -7.298 98 HA GLN 15 HA GLN 15 -21.928 17.978 -8.216 99 HB2 GLN 15 HB2 GLN 15 -24.275 16.532 -7.238 100 HB3 GLN 15 HB3 GLN 15 -24.418 18.179 -8.037 101 HG2 GLN 15 HG2 GLN 15 -24.069 15.324 -8.733 102 HG3 GLN 15 HG3 GLN 15 -25.300 16.410 -9.365 103 HE21 GLN 15 HE21 GLN 15 -22.789 15.591 -12.124 104 HE22 GLN 15 HE22 GLN 15 -23.567 14.484 -11.021 105 H LEU 16 H LEU 16 -23.619 16.460 -5.906 106 HA LEU 16 HA LEU 16 -23.276 18.147 -3.874 107 HB2 LEU 16 HB2 LEU 16 -24.599 15.624 -4.811 108 HB3 LEU 16 HB3 LEU 16 -24.940 15.821 -3.324 109 HG LEU 16 HG LEU 16 -25.712 16.878 -5.869 110 HD11 LEU 16 HD11 LEU 16 -27.106 17.027 -3.250 111 HD12 LEU 16 HD12 LEU 16 -27.834 17.254 -4.906 112 HD13 LEU 16 HD13 LEU 16 -27.017 15.720 -4.509 113 HD21 LEU 16 HD21 LEU 16 -24.531 18.668 -5.644 114 HD22 LEU 16 HD22 LEU 16 -26.233 19.149 -5.679 115 HD23 LEU 16 HD23 LEU 16 -25.375 19.223 -4.145 116 H GLU 17 H GLU 17 -21.275 16.231 -4.198 117 HA GLU 17 HA GLU 17 -19.899 16.544 -1.519 118 HB2 GLU 17 HB2 GLU 17 -18.970 15.703 -4.299 119 HB3 GLU 17 HB3 GLU 17 -17.964 15.563 -2.821 120 HG2 GLU 17 HG2 GLU 17 -20.257 14.439 -4.009 121 HG3 GLU 17 HG3 GLU 17 -18.832 13.479 -3.617 122 HE2 GLU 17 HE2 GLU 17 -21.409 12.371 -1.238 123 H ASN 18 H ASN 18 -19.587 17.171 -4.871 124 HA ASN 18 HA ASN 18 -17.090 18.053 -4.906 125 HB2 ASN 18 HB3 ASN 18 -19.163 17.815 -6.582 126 HB3 ASN 18 HB2 ASN 18 -18.887 19.224 -6.933 127 HD21 ASN 18 HD21 ASN 18 -16.177 16.340 -7.673 128 HD22 ASN 18 HD22 ASN 18 -17.499 16.609 -6.460 129 H TYR 19 H TYR 19 -19.592 19.907 -5.551 130 HA TYR 19 HA TYR 19 -19.108 22.705 -5.620 131 HB2 TYR 19 HB2 TYR 19 -21.080 20.737 -5.385 132 HB3 TYR 19 HB3 TYR 19 -21.504 22.287 -4.942 133 HD1 TYR 19 HD1 TYR 19 -20.967 24.175 -6.624 134 HD2 TYR 19 HD2 TYR 19 -20.764 20.008 -7.285 135 HE1 TYR 19 HE1 TYR 19 -21.174 24.000 -9.148 136 HE2 TYR 19 HE2 TYR 19 -19.035 21.282 -7.280 137 HH TYR 19 HH TYR 19 -19.650 23.075 -10.985 138 H CYS 20 H CYS 20 -20.595 21.011 -3.630 139 HA CYS 20 HA CYS 20 -21.824 22.820 -1.871 140 HB2 CYS 20 HB2 CYS 20 -22.655 20.781 -2.802 141 HB3 CYS 20 HB3 CYS 20 -21.358 19.813 -2.103 142 H ASN 21 H ASN 21 -19.121 20.561 -0.909 143 HA ASN 21 HA ASN 21 -19.239 20.795 1.898 144 HB2 ASN 21 HB2 ASN 21 -18.378 19.034 0.397 145 HB3 ASN 21 HB3 ASN 21 -17.150 20.098 -0.227 146 HD21 ASN 21 HD21 ASN 21 -15.087 19.712 2.746 147 HD22 ASN 21 HD22 ASN 21 -15.549 20.916 1.547 148 H1 PHE 1 H1 PHE 1 -29.133 8.697 -11.696 149 H2 PHE 1 H2 PHE 1 -27.738 9.457 -11.909 150 H3 PHE 1 H3 PHE 1 -28.926 10.130 -10.987 151 HA PHE 1 HA PHE 1 -27.325 7.746 -10.364 152 HB2 PHE 1 HB2 PHE 1 -26.379 10.100 -9.988 153 HB3 PHE 1 HB3 PHE 1 -27.510 10.224 -8.593 154 HD1 PHE 1 HD1 PHE 1 -26.697 9.042 -6.392 155 HD2 PHE 1 HD2 PHE 1 -25.246 8.232 -10.356 156 HE1 PHE 1 HE1 PHE 1 -26.447 6.703 -5.872 157 HE2 PHE 1 HE2 PHE 1 -25.907 6.106 -10.068 158 HZ PHE 1 HZ PHE 1 -26.194 5.049 -7.724 159 H VAL 2 H VAL 2 -28.282 8.729 -7.457 160 HA VAL 2 HA VAL 2 -31.011 7.688 -7.198 161 HB VAL 2 HB VAL 2 -28.786 8.792 -5.481 162 HG11 VAL 2 HG11 VAL 2 -31.702 8.242 -4.541 163 HG12 VAL 2 HG12 VAL 2 -30.326 8.569 -3.459 164 HG13 VAL 2 HG13 VAL 2 -30.966 9.848 -4.488 165 HG21 VAL 2 HG21 VAL 2 -30.523 6.288 -5.287 166 HG22 VAL 2 HG22 VAL 2 -28.885 6.362 -5.974 167 HG23 VAL 2 HG23 VAL 2 -29.121 6.722 -4.254 168 H ASN 3 H ASN 3 -29.215 10.402 -6.608 169 HA ASN 3 HA ASN 3 -31.294 12.400 -6.937 170 HB2 ASN 3 HB2 ASN 3 -28.431 12.418 -6.699 171 HB3 ASN 3 HB3 ASN 3 -29.352 13.952 -7.286 172 HD21 ASN 3 HD21 ASN 3 -30.178 11.654 -5.298 173 HD22 ASN 3 HD22 ASN 3 -28.771 11.604 -4.763 174 H GLN 4 H GLN 4 -31.376 13.808 -8.444 175 HA GLN 4 HA GLN 4 -32.001 12.533 -10.940 176 HB2 GLN 4 HB2 GLN 4 -34.130 12.683 -9.995 177 HB3 GLN 4 HB3 GLN 4 -32.928 12.047 -8.966 178 HG2 GLN 4 HG2 GLN 4 -32.898 14.259 -7.722 179 HG3 GLN 4 HG3 GLN 4 -34.449 14.471 -8.535 180 HE21 GLN 4 HE21 GLN 4 -34.201 11.279 -5.776 181 HE22 GLN 4 HE22 GLN 4 -32.880 11.344 -6.887 182 H HIS 5 H HIS 5 -33.686 14.250 -10.586 183 HA HIS 5 HA HIS 5 -33.149 14.738 -13.192 184 HB2 HIS 5 HB2 HIS 5 -35.115 13.999 -11.408 185 HB3 HIS 5 HB3 HIS 5 -35.773 15.213 -11.930 186 HD2 HIS 5 HD2 HIS 5 -37.060 12.688 -12.108 187 HE1 HIS 5 HE1 HIS 5 -33.664 12.726 -12.336 188 HE2 HIS 5 HE2 HIS 5 -35.317 10.928 -11.912 189 H LEU 6 H LEU 6 -34.546 16.318 -11.089 190 HA LEU 6 HA LEU 6 -35.378 18.460 -12.429 191 HB2 LEU 6 HB2 LEU 6 -36.109 17.213 -9.923 192 HB3 LEU 6 HB3 LEU 6 -36.290 18.962 -9.866 193 HG LEU 6 HG LEU 6 -38.186 17.139 -10.834 194 HD11 LEU 6 HD11 LEU 6 -39.504 19.254 -11.039 195 HD12 LEU 6 HD12 LEU 6 -38.613 19.178 -9.531 196 HD13 LEU 6 HD13 LEU 6 -38.013 20.196 -10.865 197 HD21 LEU 6 HD21 LEU 6 -37.193 17.354 -13.115 198 HD22 LEU 6 HD22 LEU 6 -38.803 18.119 -13.014 199 HD23 LEU 6 HD23 LEU 6 -37.333 19.139 -12.973 200 H CYS 7 H CYS 7 -36.086 20.323 -11.699 201 HA CYS 7 HA CYS 7 -33.900 22.275 -11.475 202 HB2 CYS 7 HB2 CYS 7 -34.964 21.128 -13.504 203 HB3 CYS 7 HB3 CYS 7 -36.417 21.957 -13.135 204 H GLY 8 H GLY 8 -34.272 23.223 -9.429 205 HA2 GLY 8 HA2 GLY 8 -36.563 24.865 -8.656 206 HA3 GLY 8 HA3 GLY 8 -36.827 23.258 -8.118 207 H SER 9 H SER 9 -36.977 24.565 -6.474 208 HA SER 9 HA SER 9 -34.675 25.208 -4.673 209 HB2 SER 9 HB2 SER 9 -37.576 25.883 -4.923 210 HB3 SER 9 HB3 SER 9 -36.521 26.944 -3.890 211 HG SER 9 HG SER 9 -36.807 28.181 -5.718 212 H HIS 10 H HIS 10 -37.153 23.565 -4.564 213 HA HIS 10 HA HIS 10 -36.195 22.531 -2.256 214 HB2 HIS 10 HB2 HIS 10 -38.550 23.184 -4.068 215 HB3 HIS 10 HB3 HIS 10 -38.437 21.666 -4.162 216 HD2 HIS 10 HD2 HIS 10 -37.808 24.168 -1.734 217 HE1 HIS 10 HE1 HIS 10 -41.383 22.583 0.121 218 HE2 HIS 10 HE2 HIS 10 -39.599 24.415 0.379 219 H LEU 11 H LEU 11 -36.146 21.753 -4.648 220 HA LEU 11 HA LEU 11 -34.019 20.770 -3.211 221 HB2 LEU 11 HB2 LEU 11 -33.323 18.967 -5.177 222 HB3 LEU 11 HB3 LEU 11 -34.997 18.814 -4.571 223 HG LEU 11 HG LEU 11 -34.528 18.689 -7.171 224 HD11 LEU 11 HD11 LEU 11 -36.770 18.419 -6.021 225 HD12 LEU 11 HD12 LEU 11 -36.964 20.191 -6.044 226 HD13 LEU 11 HD13 LEU 11 -36.882 19.263 -7.578 227 HD21 LEU 11 HD21 LEU 11 -33.706 21.022 -7.359 228 HD22 LEU 11 HD22 LEU 11 -35.178 20.761 -8.274 229 HD23 LEU 11 HD23 LEU 11 -35.249 21.583 -6.657 230 H VAL 12 H VAL 12 -34.114 23.054 -3.514 231 HA VAL 12 HA VAL 12 -31.337 22.629 -2.783 232 HB VAL 12 HB VAL 12 -33.400 24.625 -3.075 233 HG11 VAL 12 HG11 VAL 12 -31.685 25.588 -1.209 234 HG12 VAL 12 HG12 VAL 12 -32.831 26.590 -2.189 235 HG13 VAL 12 HG13 VAL 12 -33.428 25.129 -1.378 236 HG21 VAL 12 HG21 VAL 12 -32.911 24.493 -4.945 237 HG22 VAL 12 HG22 VAL 12 -32.307 26.176 -4.618 238 HG23 VAL 12 HG23 VAL 12 -31.162 24.824 -4.792 239 H GLU 13 H GLU 13 -34.269 22.987 -1.927 240 HA GLU 13 HA GLU 13 -33.186 21.850 0.377 241 HB2 GLU 13 HB2 GLU 13 -34.207 24.310 0.604 242 HB3 GLU 13 HB3 GLU 13 -35.422 23.651 -0.580 243 HG2 GLU 13 HG2 GLU 13 -36.571 24.531 1.060 244 HG3 GLU 13 HG3 GLU 13 -36.763 22.795 0.808 245 HE2 GLU 13 HE2 GLU 13 -36.787 23.141 4.419 246 H ALA 14 H ALA 14 -34.375 21.032 -1.472 247 HA ALA 14 HA ALA 14 -34.181 18.608 0.309 248 HB1 ALA 14 HB1 ALA 14 -33.552 19.002 -2.548 249 HB2 ALA 14 HB2 ALA 14 -33.522 17.345 -1.802 250 HB3 ALA 14 HB3 ALA 14 -35.107 18.156 -2.145 251 H LEU 15 H LEU 15 -32.249 20.793 -1.698 252 HA LEU 15 HA LEU 15 -30.273 18.784 -1.380 253 HB2 LEU 15 HB2 LEU 15 -29.881 19.357 -3.394 254 HB3 LEU 15 HB3 LEU 15 -30.916 20.720 -3.284 255 HG LEU 15 HG LEU 15 -28.643 21.396 -4.098 256 HD11 LEU 15 HD11 LEU 15 -29.822 22.306 -1.596 257 HD12 LEU 15 HD12 LEU 15 -28.085 22.714 -1.533 258 HD13 LEU 15 HD13 LEU 15 -29.146 23.331 -2.870 259 HD21 LEU 15 HD21 LEU 15 -27.910 19.362 -2.522 260 HD22 LEU 15 HD22 LEU 15 -26.764 20.742 -2.778 261 HD23 LEU 15 HD23 LEU 15 -27.872 20.689 -1.361 262 H TYR 16 H TYR 16 -30.870 21.697 0.032 263 HA TYR 16 HA TYR 16 -28.827 22.147 1.966 264 HB2 TYR 16 HB2 TYR 16 -30.754 23.126 1.435 265 HB3 TYR 16 HB3 TYR 16 -31.856 22.283 2.052 266 HD1 TYR 16 HD1 TYR 16 -32.419 24.292 2.621 267 HD2 TYR 16 HD2 TYR 16 -28.685 23.159 3.846 268 HE1 TYR 16 HE1 TYR 16 -31.477 24.898 0.805 269 HE2 TYR 16 HE2 TYR 16 -27.785 24.247 1.949 270 HH TYR 16 HH TYR 16 -29.726 26.194 -0.275 271 H LEU 17 H LEU 17 -31.319 20.021 1.949 272 HA LEU 17 HA LEU 17 -30.931 18.926 4.551 273 HB2 LEU 17 HB2 LEU 17 -32.978 18.667 2.284 274 HB3 LEU 17 HB3 LEU 17 -33.138 17.842 3.796 275 HG LEU 17 HG LEU 17 -33.161 20.711 3.060 276 HD11 LEU 17 HD11 LEU 17 -34.974 19.106 4.982 277 HD12 LEU 17 HD12 LEU 17 -35.405 20.649 4.272 278 HD13 LEU 17 HD13 LEU 17 -35.253 19.185 3.264 279 HD21 LEU 17 HD21 LEU 17 -31.834 20.918 5.062 280 HD22 LEU 17 HD22 LEU 17 -33.451 21.475 5.455 281 HD23 LEU 17 HD23 LEU 17 -32.927 19.840 5.983 282 H VAL 18 H VAL 18 -29.920 18.151 1.828 283 HA VAL 18 HA VAL 18 -29.126 15.404 2.372 284 HB VAL 18 HB VAL 18 -29.611 17.262 0.125 285 HG11 VAL 18 HG11 VAL 18 -28.116 14.755 -0.332 286 HG12 VAL 18 HG12 VAL 18 -29.159 15.626 -1.557 287 HG13 VAL 18 HG13 VAL 18 -27.841 16.513 -0.713 288 HG21 VAL 18 HG21 VAL 18 -31.279 16.340 1.172 289 HG22 VAL 18 HG22 VAL 18 -31.236 15.729 -0.509 290 HG23 VAL 18 HG23 VAL 18 -30.722 14.614 0.855 291 H CYS 19 H CYS 19 -27.878 17.918 0.953 292 HA CYS 19 HA CYS 19 -25.085 17.092 0.785 293 HB2 CYS 19 HB2 CYS 19 -26.746 18.297 -0.766 294 HB3 CYS 19 HB3 CYS 19 -26.492 19.711 0.185 295 H GLY 20 H GLY 20 -26.926 19.324 2.408 296 HA2 GLY 20 HA2 GLY 20 -27.172 18.633 4.625 297 HA3 GLY 20 HA3 GLY 20 -25.452 18.324 4.761 298 H GLU 21 H GLU 21 -24.740 19.183 6.563 299 HA GLU 21 HA GLU 21 -26.045 20.858 8.181 300 HB2 GLU 21 HB2 GLU 21 -23.263 19.762 7.805 301 HB3 GLU 21 HB3 GLU 21 -23.695 20.567 9.189 302 HG2 GLU 21 HG2 GLU 21 -24.765 18.100 8.040 303 HG3 GLU 21 HG3 GLU 21 -23.628 18.174 9.402 304 HE2 GLU 21 HE2 GLU 21 -26.070 18.696 11.839 305 H ARG 22 H ARG 22 -23.330 21.097 7.047 306 HA ARG 22 HA ARG 22 -21.599 23.272 6.730 307 HB2 ARG 22 HB2 ARG 22 -23.039 21.431 4.820 308 HB3 ARG 22 HB3 ARG 22 -21.574 22.307 4.296 309 HG2 ARG 22 HG2 ARG 22 -20.168 20.949 5.510 310 HG3 ARG 22 HG3 ARG 22 -21.192 20.943 6.914 311 HD2 ARG 22 HD2 ARG 22 -21.093 18.675 6.172 312 HD3 ARG 22 HD3 ARG 22 -22.731 19.358 5.889 313 HE ARG 22 HE ARG 22 -22.525 18.996 3.664 314 HH11 ARG 22 HH11 ARG 22 -19.240 18.669 4.897 315 HH12 ARG 22 HH12 ARG 22 -18.653 18.134 3.358 316 HH21 ARG 22 HH21 ARG 22 -21.785 18.291 1.866 317 HH22 ARG 22 HH22 ARG 22 -20.115 17.764 1.709 318 H GLY 23 H GLY 23 -21.218 24.387 4.959 319 HA2 GLY 23 HA2 GLY 23 -21.660 24.199 2.698 320 HA3 GLY 23 HA3 GLY 23 -23.049 23.920 3.338 321 H PHE 24 H PHE 24 -23.990 24.413 2.429 322 HA PHE 24 HA PHE 24 -23.118 24.345 0.290 323 HB2 PHE 24 HB2 PHE 24 -25.751 24.284 1.127 324 HB3 PHE 24 HB3 PHE 24 -25.846 24.099 -0.593 325 HD1 PHE 24 HD1 PHE 24 -22.977 22.798 1.633 326 HD2 PHE 24 HD2 PHE 24 -26.166 21.952 -1.005 327 HE1 PHE 24 HE1 PHE 24 -24.376 22.525 3.470 328 HE2 PHE 24 HE2 PHE 24 -27.440 22.641 0.531 329 HZ PHE 24 HZ PHE 24 -26.912 22.396 3.087 330 H PHE 25 H PHE 25 -23.003 24.894 -1.942 331 HA PHE 25 HA PHE 25 -21.512 26.556 -2.412 332 HB2 PHE 25 HB2 PHE 25 -22.899 24.454 -3.376 333 HB3 PHE 25 HB3 PHE 25 -23.785 25.585 -4.041 334 HD1 PHE 25 HD1 PHE 25 -20.660 24.966 -3.376 335 HD2 PHE 25 HD2 PHE 25 -23.493 26.797 -5.797 336 HE1 PHE 25 HE1 PHE 25 -19.503 26.981 -3.449 337 HE2 PHE 25 HE2 PHE 25 -21.925 28.533 -6.470 338 HZ PHE 25 HZ PHE 25 -19.790 28.688 -5.228 339 H TYR 26 H TYR 26 -24.339 26.601 -3.187 340 HA TYR 26 HA TYR 26 -24.793 27.935 -5.121 341 HB2 TYR 26 HB2 TYR 26 -26.251 26.748 -3.865 342 HB3 TYR 26 HB3 TYR 26 -27.159 28.339 -3.583 343 HD1 TYR 26 HD1 TYR 26 -25.784 27.404 -6.785 344 HD2 TYR 26 HD2 TYR 26 -29.155 27.291 -4.331 345 HE1 TYR 26 HE1 TYR 26 -25.181 25.664 -5.445 346 HE2 TYR 26 HE2 TYR 26 -29.159 24.881 -4.365 347 HH TYR 26 HH TYR 26 -25.880 23.436 -4.792 348 H THR 27 H THR 27 -26.099 29.300 -5.920 349 HA THR 27 HA THR 27 -24.611 31.698 -6.018 350 HB THR 27 HB THR 27 -25.227 31.131 -8.379 351 HG1 THR 27 HG1 THR 27 -26.459 29.457 -8.902 352 HG21 THR 27 HG21 THR 27 -24.144 28.725 -6.817 353 HG22 THR 27 HG22 THR 27 -23.932 29.004 -8.565 354 HG23 THR 27 HG23 THR 27 -23.231 30.114 -7.402 355 HA PRO 28 HA PRO 28 -28.769 33.384 -7.729 356 HB2 PRO 28 HB2 PRO 28 -31.157 32.959 -6.461 357 HB3 PRO 28 HB3 PRO 28 -30.400 31.833 -7.636 358 HG2 PRO 28 HG2 PRO 28 -30.294 31.767 -4.605 359 HG3 PRO 28 HG3 PRO 28 -30.738 30.437 -5.723 360 HD2 PRO 28 HD2 PRO 28 -28.247 30.696 -4.705 361 HD3 PRO 28 HD3 PRO 28 -28.495 30.072 -6.360 362 H LYS 29 H LYS 29 -27.755 33.628 -4.518 363 HA LYS 29 HA LYS 29 -29.101 35.924 -3.553 364 HB2 LYS 29 HB2 LYS 29 -27.869 34.293 -2.180 365 HB3 LYS 29 HB3 LYS 29 -26.358 34.759 -2.890 366 HG2 LYS 29 HG2 LYS 29 -26.556 35.708 -0.689 367 HG3 LYS 29 HG3 LYS 29 -26.561 37.026 -1.878 368 HD2 LYS 29 HD2 LYS 29 -29.026 37.182 -1.660 369 HD3 LYS 29 HD3 LYS 29 -29.057 35.878 -0.509 370 HE2 LYS 29 HE2 LYS 29 -27.689 38.601 -0.120 371 HE3 LYS 29 HE3 LYS 29 -29.246 38.117 0.526 372 HZ1 LYS 29 HZ1 LYS 29 -27.554 37.813 2.189 373 HZ2 LYS 29 HZ2 LYS 29 -28.093 36.340 1.776 374 HZ3 LYS 29 HZ3 LYS 29 -26.635 36.856 1.242 375 H ALA 30 H ALA 30 -26.383 35.673 -5.816 376 HA ALA 30 HA ALA 30 -26.314 38.653 -6.058 377 HB1 ALA 30 HB1 ALA 30 -23.875 36.910 -5.812 378 HB2 ALA 30 HB2 ALA 30 -23.882 38.668 -6.067 379 HB3 ALA 30 HB3 ALA 30 -24.463 38.005 -4.539 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -23.623 18.061 -10.630 2 H2 GLY 1 H2 GLY 1 -22.159 18.770 -10.739 3 H3 GLY 1 H3 GLY 1 -23.411 19.353 -11.640 4 HA2 GLY 1 HA2 GLY 1 -23.060 19.518 -8.706 5 HA3 GLY 1 HA3 GLY 1 -22.951 20.804 -9.840 6 H ILE 2 H ILE 2 -24.836 22.146 -9.421 7 HA ILE 2 HA ILE 2 -26.774 20.930 -7.940 8 HB ILE 2 HB ILE 2 -24.684 22.504 -7.690 9 HG12 ILE 2 HG12 ILE 2 -25.080 22.873 -5.402 10 HG13 ILE 2 HG13 ILE 2 -26.774 22.256 -5.655 11 HG21 ILE 2 HG21 ILE 2 -26.235 24.806 -7.960 12 HG22 ILE 2 HG22 ILE 2 -24.641 24.592 -7.057 13 HG23 ILE 2 HG23 ILE 2 -24.860 24.163 -8.769 14 HD11 ILE 2 HD11 ILE 2 -26.011 20.157 -6.177 15 HD12 ILE 2 HD12 ILE 2 -24.534 20.740 -7.063 16 HD13 ILE 2 HD13 ILE 2 -24.553 20.639 -5.249 17 H VAL 3 H VAL 3 -26.824 23.511 -10.059 18 HA VAL 3 HA VAL 3 -29.664 23.477 -9.575 19 HB VAL 3 HB VAL 3 -27.882 25.523 -10.368 20 HG11 VAL 3 HG11 VAL 3 -29.826 27.184 -10.601 21 HG12 VAL 3 HG12 VAL 3 -29.987 25.933 -11.814 22 HG13 VAL 3 HG13 VAL 3 -30.952 25.836 -10.347 23 HG21 VAL 3 HG21 VAL 3 -28.714 26.720 -8.390 24 HG22 VAL 3 HG22 VAL 3 -30.085 25.654 -8.224 25 HG23 VAL 3 HG23 VAL 3 -28.438 25.069 -7.886 26 H GLU 4 H GLU 4 -27.909 24.007 -11.898 27 HA GLU 4 HA GLU 4 -29.526 23.638 -13.912 28 HB2 GLU 4 HB2 GLU 4 -27.532 25.316 -14.688 29 HB3 GLU 4 HB3 GLU 4 -28.638 25.771 -13.340 30 HG2 GLU 4 HG2 GLU 4 -26.552 24.847 -11.894 31 HG3 GLU 4 HG3 GLU 4 -25.700 25.255 -13.422 32 HE2 GLU 4 HE2 GLU 4 -25.495 28.170 -11.350 33 H GLN 5 H GLN 5 -26.601 23.385 -13.617 34 HA GLN 5 HA GLN 5 -25.111 21.527 -14.617 35 HB2 GLN 5 HB2 GLN 5 -26.403 21.890 -11.987 36 HB3 GLN 5 HB3 GLN 5 -25.056 20.734 -12.161 37 HG2 GLN 5 HG2 GLN 5 -24.633 23.571 -13.035 38 HG3 GLN 5 HG3 GLN 5 -24.992 23.349 -11.290 39 HE21 GLN 5 HE21 GLN 5 -21.261 23.307 -11.793 40 HE22 GLN 5 HE22 GLN 5 -22.561 24.489 -11.886 41 H CYS 6 H CYS 6 -28.119 21.099 -12.813 42 HA CYS 6 HA CYS 6 -28.679 18.349 -13.447 43 HB2 CYS 6 HB2 CYS 6 -30.012 20.603 -12.022 44 HB3 CYS 6 HB3 CYS 6 -30.648 18.967 -11.934 45 H CYS 7 H CYS 7 -30.012 21.427 -14.034 46 HA CYS 7 HA CYS 7 -32.554 20.607 -14.920 47 HB2 CYS 7 HB2 CYS 7 -31.552 22.776 -13.934 48 HB3 CYS 7 HB3 CYS 7 -30.926 23.073 -15.453 49 H ALA 8 H ALA 8 -29.658 21.526 -16.907 50 HA ALA 8 HA ALA 8 -30.494 19.652 -19.086 51 HB1 ALA 8 HB1 ALA 8 -28.177 20.396 -19.847 52 HB2 ALA 8 HB2 ALA 8 -29.377 21.703 -19.744 53 HB3 ALA 8 HB3 ALA 8 -28.155 21.500 -18.447 54 H SER 9 H SER 9 -29.770 17.633 -19.050 55 HA SER 9 HA SER 9 -30.240 16.599 -16.592 56 HB2 SER 9 HB2 SER 9 -30.825 15.973 -18.801 57 HB3 SER 9 HB3 SER 9 -29.191 15.353 -18.960 58 HG SER 9 HG SER 9 -30.929 13.810 -18.717 59 H VAL 10 H VAL 10 -29.393 14.561 -16.691 60 HA VAL 10 HA VAL 10 -29.554 15.298 -14.594 61 HB VAL 10 HB VAL 10 -29.583 12.852 -15.959 62 HG11 VAL 10 HG11 VAL 10 -29.220 12.350 -13.129 63 HG12 VAL 10 HG12 VAL 10 -29.857 11.227 -14.417 64 HG13 VAL 10 HG13 VAL 10 -28.241 11.958 -14.618 65 HG21 VAL 10 HG21 VAL 10 -31.381 14.414 -15.600 66 HG22 VAL 10 HG22 VAL 10 -31.707 12.677 -15.401 67 HG23 VAL 10 HG23 VAL 10 -31.655 13.706 -13.965 68 H CYS 11 H CYS 11 -28.994 14.874 -12.350 69 HA CYS 11 HA CYS 11 -26.063 14.953 -11.718 70 HB2 CYS 11 HB2 CYS 11 -26.361 16.983 -10.571 71 HB3 CYS 11 HB3 CYS 11 -27.091 17.218 -12.170 72 H SER 12 H SER 12 -25.335 14.221 -9.841 73 HA SER 12 HA SER 12 -26.682 12.348 -8.652 74 HB2 SER 12 HB2 SER 12 -23.842 12.831 -9.170 75 HB3 SER 12 HB3 SER 12 -24.907 11.491 -9.573 76 HG SER 12 HG SER 12 -25.329 12.327 -11.455 77 H LEU 13 H LEU 13 -24.609 11.614 -7.753 78 HA LEU 13 HA LEU 13 -23.774 12.122 -4.926 79 HB2 LEU 13 HB2 LEU 13 -22.555 11.517 -7.678 80 HB3 LEU 13 HB3 LEU 13 -21.896 10.874 -6.160 81 HG LEU 13 HG LEU 13 -24.711 9.828 -7.086 82 HD11 LEU 13 HD11 LEU 13 -22.225 8.846 -8.335 83 HD12 LEU 13 HD12 LEU 13 -23.919 8.220 -8.340 84 HD13 LEU 13 HD13 LEU 13 -23.607 9.844 -8.996 85 HD21 LEU 13 HD21 LEU 13 -24.160 9.657 -5.067 86 HD22 LEU 13 HD22 LEU 13 -24.120 8.062 -5.852 87 HD23 LEU 13 HD23 LEU 13 -22.574 8.822 -5.325 88 H TYR 14 H TYR 14 -23.335 13.600 -7.954 89 HA TYR 14 HA TYR 14 -21.829 15.806 -6.775 90 HB2 TYR 14 HB2 TYR 14 -21.955 14.334 -8.852 91 HB3 TYR 14 HB3 TYR 14 -23.445 15.103 -9.260 92 HD1 TYR 14 HD1 TYR 14 -20.144 15.682 -8.349 93 HD2 TYR 14 HD2 TYR 14 -23.090 15.923 -11.247 94 HE1 TYR 14 HE1 TYR 14 -18.642 14.401 -9.923 95 HE2 TYR 14 HE2 TYR 14 -22.439 13.701 -10.736 96 HH TYR 14 HH TYR 14 -18.951 12.661 -11.300 97 H GLN 15 H GLN 15 -24.414 15.595 -7.066 98 HA GLN 15 HA GLN 15 -25.077 18.365 -6.138 99 HB2 GLN 15 HB2 GLN 15 -25.849 15.751 -5.380 100 HB3 GLN 15 HB3 GLN 15 -26.636 17.160 -4.552 101 HG2 GLN 15 HG2 GLN 15 -26.641 16.218 -7.390 102 HG3 GLN 15 HG3 GLN 15 -27.800 15.702 -6.198 103 HE21 GLN 15 HE21 GLN 15 -28.441 19.466 -7.691 104 HE22 GLN 15 HE22 GLN 15 -27.004 18.609 -8.193 105 H LEU 16 H LEU 16 -24.430 15.578 -4.819 106 HA LEU 16 HA LEU 16 -23.343 16.231 -2.476 107 HB2 LEU 16 HB2 LEU 16 -24.313 14.020 -4.247 108 HB3 LEU 16 HB3 LEU 16 -23.687 13.377 -3.029 109 HG LEU 16 HG LEU 16 -26.092 14.740 -3.763 110 HD11 LEU 16 HD11 LEU 16 -25.642 12.863 -1.596 111 HD12 LEU 16 HD12 LEU 16 -27.233 13.307 -2.331 112 HD13 LEU 16 HD13 LEU 16 -25.945 12.618 -3.361 113 HD21 LEU 16 HD21 LEU 16 -25.459 16.556 -2.766 114 HD22 LEU 16 HD22 LEU 16 -26.822 15.906 -1.822 115 HD23 LEU 16 HD23 LEU 16 -25.195 15.749 -1.122 116 H GLU 17 H GLU 17 -21.505 15.598 -4.828 117 HA GLU 17 HA GLU 17 -18.987 15.446 -3.256 118 HB2 GLU 17 HB2 GLU 17 -19.589 16.163 -6.163 119 HB3 GLU 17 HB3 GLU 17 -17.936 15.716 -5.473 120 HG2 GLU 17 HG2 GLU 17 -19.587 13.552 -5.087 121 HG3 GLU 17 HG3 GLU 17 -20.405 14.639 -6.282 122 HE2 GLU 17 HE2 GLU 17 -18.752 12.154 -8.327 123 H ASN 18 H ASN 18 -20.552 17.437 -5.716 124 HA ASN 18 HA ASN 18 -18.096 18.579 -5.766 125 HB2 ASN 18 HB2 ASN 18 -20.494 18.898 -7.630 126 HB3 ASN 18 HB3 ASN 18 -20.281 19.239 -6.897 127 HD21 ASN 18 HD21 ASN 18 -17.367 20.327 -8.677 128 HD22 ASN 18 HD22 ASN 18 -18.510 20.291 -7.281 129 H TYR 19 H TYR 19 -20.917 20.067 -5.436 130 HA TYR 19 HA TYR 19 -20.465 22.759 -5.731 131 HB2 TYR 19 HB2 TYR 19 -22.422 20.771 -5.082 132 HB3 TYR 19 HB3 TYR 19 -22.741 22.376 -4.591 133 HD1 TYR 19 HD1 TYR 19 -22.422 24.250 -6.424 134 HD2 TYR 19 HD2 TYR 19 -22.301 20.072 -6.967 135 HE1 TYR 19 HE1 TYR 19 -23.091 22.892 -8.752 136 HE2 TYR 19 HE2 TYR 19 -20.436 21.169 -7.294 137 HH TYR 19 HH TYR 19 -20.040 24.215 -9.170 138 H CYS 20 H CYS 20 -21.554 21.180 -3.432 139 HA CYS 20 HA CYS 20 -22.276 22.971 -1.463 140 HB2 CYS 20 HB2 CYS 20 -23.350 20.873 -2.146 141 HB3 CYS 20 HB3 CYS 20 -21.960 19.927 -1.832 142 H ASN 21 H ASN 21 -19.648 20.440 -1.006 143 HA ASN 21 HA ASN 21 -19.096 21.034 1.686 144 HB2 ASN 21 HB2 ASN 21 -18.992 18.939 0.394 145 HB3 ASN 21 HB3 ASN 21 -17.737 19.588 -0.647 146 HD21 ASN 21 HD21 ASN 21 -15.149 19.318 1.967 147 HD22 ASN 21 HD22 ASN 21 -15.707 20.463 0.746 148 H1 PHE 1 H1 PHE 1 -30.285 4.599 -9.454 149 H2 PHE 1 H2 PHE 1 -29.011 4.545 -10.458 150 H3 PHE 1 H3 PHE 1 -29.851 5.936 -10.268 151 HA PHE 1 HA PHE 1 -28.265 4.561 -8.160 152 HB2 PHE 1 HB2 PHE 1 -27.012 5.638 -10.039 153 HB3 PHE 1 HB3 PHE 1 -27.405 7.246 -9.311 154 HD1 PHE 1 HD1 PHE 1 -25.742 7.887 -7.229 155 HD2 PHE 1 HD2 PHE 1 -26.365 3.940 -8.931 156 HE1 PHE 1 HE1 PHE 1 -25.632 6.771 -4.989 157 HE2 PHE 1 HE2 PHE 1 -27.010 3.220 -6.982 158 HZ PHE 1 HZ PHE 1 -26.412 4.411 -4.745 159 H VAL 2 H VAL 2 -27.830 7.464 -7.329 160 HA VAL 2 HA VAL 2 -29.915 8.136 -5.475 161 HB VAL 2 HB VAL 2 -27.366 9.179 -6.565 162 HG11 VAL 2 HG11 VAL 2 -29.080 10.993 -4.807 163 HG12 VAL 2 HG12 VAL 2 -27.344 11.212 -5.073 164 HG13 VAL 2 HG13 VAL 2 -28.449 11.352 -6.430 165 HG21 VAL 2 HG21 VAL 2 -27.555 7.610 -4.552 166 HG22 VAL 2 HG22 VAL 2 -26.617 9.084 -4.200 167 HG23 VAL 2 HG23 VAL 2 -28.309 8.960 -3.661 168 H ASN 3 H ASN 3 -28.865 8.987 -8.262 169 HA ASN 3 HA ASN 3 -29.357 11.642 -8.671 170 HB2 ASN 3 HB2 ASN 3 -29.101 9.392 -10.435 171 HB3 ASN 3 HB3 ASN 3 -29.505 11.088 -11.178 172 HD21 ASN 3 HD21 ASN 3 -27.724 10.215 -8.715 173 HD22 ASN 3 HD22 ASN 3 -27.097 9.039 -9.565 174 H GLN 4 H GLN 4 -30.495 12.832 -9.929 175 HA GLN 4 HA GLN 4 -33.102 12.635 -11.063 176 HB2 GLN 4 HB2 GLN 4 -34.079 13.858 -9.393 177 HB3 GLN 4 HB3 GLN 4 -32.944 12.773 -8.611 178 HG2 GLN 4 HG2 GLN 4 -32.313 15.622 -8.951 179 HG3 GLN 4 HG3 GLN 4 -33.085 14.953 -7.507 180 HE21 GLN 4 HE21 GLN 4 -30.057 13.018 -6.521 181 HE22 GLN 4 HE22 GLN 4 -31.728 12.669 -6.809 182 H HIS 5 H HIS 5 -33.342 14.790 -10.709 183 HA HIS 5 HA HIS 5 -32.762 15.670 -13.309 184 HB2 HIS 5 HB2 HIS 5 -34.753 14.809 -11.641 185 HB3 HIS 5 HB3 HIS 5 -35.215 16.093 -11.599 186 HD2 HIS 5 HD2 HIS 5 -36.937 14.074 -12.463 187 HE1 HIS 5 HE1 HIS 5 -33.642 13.649 -12.924 188 HE2 HIS 5 HE2 HIS 5 -35.586 12.071 -12.910 189 H LEU 6 H LEU 6 -34.001 16.894 -10.891 190 HA LEU 6 HA LEU 6 -34.678 19.042 -11.941 191 HB2 LEU 6 HB2 LEU 6 -35.384 17.773 -9.543 192 HB3 LEU 6 HB3 LEU 6 -35.531 19.555 -9.396 193 HG LEU 6 HG LEU 6 -37.529 17.825 -10.411 194 HD11 LEU 6 HD11 LEU 6 -37.276 20.840 -10.414 195 HD12 LEU 6 HD12 LEU 6 -38.804 19.941 -10.508 196 HD13 LEU 6 HD13 LEU 6 -37.848 19.861 -9.035 197 HD21 LEU 6 HD21 LEU 6 -36.589 18.103 -12.734 198 HD22 LEU 6 HD22 LEU 6 -38.120 18.981 -12.488 199 HD23 LEU 6 HD23 LEU 6 -36.583 19.886 -12.469 200 H CYS 7 H CYS 7 -35.332 20.952 -11.215 201 HA CYS 7 HA CYS 7 -32.989 22.706 -11.170 202 HB2 CYS 7 HB2 CYS 7 -34.411 21.829 -13.051 203 HB3 CYS 7 HB3 CYS 7 -35.710 22.769 -12.440 204 H GLY 8 H GLY 8 -35.424 22.119 -9.077 205 HA2 GLY 8 HA2 GLY 8 -36.481 24.731 -8.286 206 HA3 GLY 8 HA3 GLY 8 -36.641 23.222 -7.459 207 H SER 9 H SER 9 -36.693 24.797 -6.079 208 HA SER 9 HA SER 9 -34.265 25.428 -4.444 209 HB2 SER 9 HB2 SER 9 -37.161 26.202 -4.622 210 HB3 SER 9 HB3 SER 9 -36.061 27.209 -3.589 211 HG SER 9 HG SER 9 -36.642 28.243 -5.611 212 H HIS 10 H HIS 10 -36.878 23.946 -4.216 213 HA HIS 10 HA HIS 10 -36.032 23.020 -1.798 214 HB2 HIS 10 HB2 HIS 10 -38.365 23.817 -3.442 215 HB3 HIS 10 HB3 HIS 10 -38.359 22.278 -3.569 216 HD2 HIS 10 HD2 HIS 10 -37.391 24.790 -1.382 217 HE1 HIS 10 HE1 HIS 10 -40.504 23.289 1.186 218 HE2 HIS 10 HE2 HIS 10 -38.747 25.129 1.012 219 H LEU 11 H LEU 11 -36.042 22.017 -4.061 220 HA LEU 11 HA LEU 11 -34.031 21.103 -2.493 221 HB2 LEU 11 HB2 LEU 11 -33.352 19.073 -4.228 222 HB3 LEU 11 HB3 LEU 11 -35.039 19.049 -3.673 223 HG LEU 11 HG LEU 11 -34.419 18.733 -6.258 224 HD11 LEU 11 HD11 LEU 11 -36.831 20.419 -5.478 225 HD12 LEU 11 HD12 LEU 11 -36.680 19.285 -6.836 226 HD13 LEU 11 HD13 LEU 11 -36.723 18.644 -5.222 227 HD21 LEU 11 HD21 LEU 11 -33.522 21.049 -6.660 228 HD22 LEU 11 HD22 LEU 11 -35.009 20.774 -7.520 229 HD23 LEU 11 HD23 LEU 11 -35.093 21.685 -6.012 230 H VAL 12 H VAL 12 -33.935 23.351 -2.972 231 HA VAL 12 HA VAL 12 -31.218 22.824 -2.131 232 HB VAL 12 HB VAL 12 -33.012 24.922 -2.785 233 HG11 VAL 12 HG11 VAL 12 -31.017 25.935 -1.141 234 HG12 VAL 12 HG12 VAL 12 -31.987 26.954 -2.265 235 HG13 VAL 12 HG13 VAL 12 -32.818 25.734 -1.223 236 HG21 VAL 12 HG21 VAL 12 -32.595 24.352 -4.622 237 HG22 VAL 12 HG22 VAL 12 -31.849 25.988 -4.578 238 HG23 VAL 12 HG23 VAL 12 -30.774 24.558 -4.542 239 H GLU 13 H GLU 13 -34.124 23.719 -1.354 240 HA GLU 13 HA GLU 13 -33.141 22.577 1.023 241 HB2 GLU 13 HB2 GLU 13 -35.701 23.847 0.157 242 HB3 GLU 13 HB3 GLU 13 -35.517 23.902 1.993 243 HG2 GLU 13 HG2 GLU 13 -33.624 25.680 1.410 244 HG3 GLU 13 HG3 GLU 13 -34.420 25.673 -0.135 245 HE2 GLU 13 HE2 GLU 13 -35.835 28.365 1.906 246 H ALA 14 H ALA 14 -34.291 21.665 -0.816 247 HA ALA 14 HA ALA 14 -34.238 19.411 1.209 248 HB1 ALA 14 HB1 ALA 14 -33.550 19.435 -1.651 249 HB2 ALA 14 HB2 ALA 14 -33.625 17.891 -0.801 250 HB3 ALA 14 HB3 ALA 14 -35.168 18.702 -1.237 251 H LEU 15 H LEU 15 -32.251 21.223 -0.930 252 HA LEU 15 HA LEU 15 -30.439 19.145 -0.402 253 HB2 LEU 15 HB2 LEU 15 -30.011 19.445 -2.481 254 HB3 LEU 15 HB3 LEU 15 -30.948 20.913 -2.522 255 HG LEU 15 HG LEU 15 -28.624 21.256 -3.419 256 HD11 LEU 15 HD11 LEU 15 -29.706 22.578 -1.001 257 HD12 LEU 15 HD12 LEU 15 -27.968 22.829 -1.175 258 HD13 LEU 15 HD13 LEU 15 -29.066 23.357 -2.494 259 HD21 LEU 15 HD21 LEU 15 -27.861 20.839 -0.612 260 HD22 LEU 15 HD22 LEU 15 -28.069 19.398 -1.557 261 HD23 LEU 15 HD23 LEU 15 -26.803 20.582 -2.037 262 H TYR 16 H TYR 16 -30.758 22.260 0.617 263 HA TYR 16 HA TYR 16 -28.664 22.784 2.509 264 HB2 TYR 16 HB2 TYR 16 -30.384 23.831 1.848 265 HB3 TYR 16 HB3 TYR 16 -31.613 23.186 2.426 266 HD1 TYR 16 HD1 TYR 16 -32.067 25.223 2.833 267 HD2 TYR 16 HD2 TYR 16 -28.434 24.013 4.240 268 HE1 TYR 16 HE1 TYR 16 -31.067 25.520 1.010 269 HE2 TYR 16 HE2 TYR 16 -27.455 24.826 2.276 270 HH TYR 16 HH TYR 16 -29.218 26.668 -0.251 271 H LEU 17 H LEU 17 -31.189 20.862 2.691 272 HA LEU 17 HA LEU 17 -30.925 20.077 5.396 273 HB2 LEU 17 HB2 LEU 17 -33.031 19.749 3.189 274 HB3 LEU 17 HB3 LEU 17 -33.278 19.232 4.791 275 HG LEU 17 HG LEU 17 -32.972 21.900 3.612 276 HD11 LEU 17 HD11 LEU 17 -35.168 22.374 4.500 277 HD12 LEU 17 HD12 LEU 17 -35.270 20.641 4.023 278 HD13 LEU 17 HD13 LEU 17 -35.063 21.079 5.710 279 HD21 LEU 17 HD21 LEU 17 -33.268 22.993 5.958 280 HD22 LEU 17 HD22 LEU 17 -32.785 21.446 6.618 281 HD23 LEU 17 HD23 LEU 17 -31.654 22.328 5.578 282 H VAL 18 H VAL 18 -30.022 18.860 2.741 283 HA VAL 18 HA VAL 18 -29.466 16.100 3.623 284 HB VAL 18 HB VAL 18 -29.762 17.737 1.155 285 HG11 VAL 18 HG11 VAL 18 -28.538 15.108 1.137 286 HG12 VAL 18 HG12 VAL 18 -29.406 15.872 -0.244 287 HG13 VAL 18 HG13 VAL 18 -28.057 16.703 0.478 288 HG21 VAL 18 HG21 VAL 18 -31.550 17.122 2.340 289 HG22 VAL 18 HG22 VAL 18 -31.537 16.362 0.742 290 HG23 VAL 18 HG23 VAL 18 -31.184 15.404 2.218 291 H CYS 19 H CYS 19 -28.056 18.354 1.949 292 HA CYS 19 HA CYS 19 -25.313 17.339 1.902 293 HB2 CYS 19 HB2 CYS 19 -26.866 18.464 0.193 294 HB3 CYS 19 HB3 CYS 19 -26.467 19.955 0.877 295 H GLY 20 H GLY 20 -26.970 19.932 3.131 296 HA2 GLY 20 HA2 GLY 20 -27.277 19.734 5.463 297 HA3 GLY 20 HA3 GLY 20 -25.671 19.054 5.631 298 H GLU 21 H GLU 21 -24.338 19.989 6.896 299 HA GLU 21 HA GLU 21 -25.030 21.805 8.686 300 HB2 GLU 21 HB2 GLU 21 -22.658 20.235 7.620 301 HB3 GLU 21 HB3 GLU 21 -22.444 21.307 8.919 302 HG2 GLU 21 HG2 GLU 21 -24.404 19.113 8.728 303 HG3 GLU 21 HG3 GLU 21 -22.772 18.970 9.385 304 HE2 GLU 21 HE2 GLU 21 -24.970 19.328 12.283 305 H ARG 22 H ARG 22 -22.682 21.784 6.819 306 HA ARG 22 HA ARG 22 -20.878 23.832 6.405 307 HB2 ARG 22 HB2 ARG 22 -22.592 22.090 4.630 308 HB3 ARG 22 HB3 ARG 22 -21.119 22.876 4.001 309 HG2 ARG 22 HG2 ARG 22 -19.780 21.338 4.888 310 HG3 ARG 22 HG3 ARG 22 -20.627 21.359 6.471 311 HD2 ARG 22 HD2 ARG 22 -22.454 20.071 5.525 312 HD3 ARG 22 HD3 ARG 22 -21.548 19.888 3.983 313 HE ARG 22 HE ARG 22 -19.912 18.982 6.138 314 HH11 ARG 22 HH11 ARG 22 -22.718 17.931 4.380 315 HH12 ARG 22 HH12 ARG 22 -22.425 16.225 4.723 316 HH21 ARG 22 HH21 ARG 22 -19.492 16.834 6.458 317 HH22 ARG 22 HH22 ARG 22 -20.646 15.628 5.907 318 H GLY 23 H GLY 23 -20.719 24.913 4.513 319 HA2 GLY 23 HA2 GLY 23 -21.423 24.738 2.411 320 HA3 GLY 23 HA3 GLY 23 -22.716 24.485 3.220 321 H PHE 24 H PHE 24 -23.773 24.912 2.380 322 HA PHE 24 HA PHE 24 -23.065 24.717 0.269 323 HB2 PHE 24 HB2 PHE 24 -25.636 24.599 1.230 324 HB3 PHE 24 HB3 PHE 24 -25.845 24.230 -0.435 325 HD1 PHE 24 HD1 PHE 24 -22.788 23.237 1.668 326 HD2 PHE 24 HD2 PHE 24 -26.082 22.035 -0.549 327 HE1 PHE 24 HE1 PHE 24 -24.066 23.232 3.640 328 HE2 PHE 24 HE2 PHE 24 -27.293 22.899 0.939 329 HZ PHE 24 HZ PHE 24 -26.631 22.938 3.461 330 H PHE 25 H PHE 25 -22.948 25.175 -1.955 331 HA PHE 25 HA PHE 25 -21.495 26.938 -2.283 332 HB2 PHE 25 HB2 PHE 25 -22.287 24.748 -3.425 333 HB3 PHE 25 HB3 PHE 25 -23.407 25.628 -4.171 334 HD1 PHE 25 HD1 PHE 25 -20.242 25.772 -3.360 335 HD2 PHE 25 HD2 PHE 25 -23.339 26.848 -5.915 336 HE1 PHE 25 HE1 PHE 25 -19.705 27.972 -3.318 337 HE2 PHE 25 HE2 PHE 25 -22.280 28.892 -6.464 338 HZ PHE 25 HZ PHE 25 -20.292 29.636 -5.137 339 H TYR 26 H TYR 26 -24.150 26.774 -3.398 340 HA TYR 26 HA TYR 26 -24.840 27.784 -5.414 341 HB2 TYR 26 HB2 TYR 26 -26.205 27.182 -3.721 342 HB3 TYR 26 HB3 TYR 26 -26.949 28.919 -3.932 343 HD1 TYR 26 HD1 TYR 26 -26.030 27.009 -6.847 344 HD2 TYR 26 HD2 TYR 26 -29.042 27.659 -4.041 345 HE1 TYR 26 HE1 TYR 26 -25.240 25.636 -5.157 346 HE2 TYR 26 HE2 TYR 26 -29.076 25.310 -3.468 347 HH TYR 26 HH TYR 26 -25.858 23.690 -3.772 348 H THR 27 H THR 27 -26.098 29.099 -6.365 349 HA THR 27 HA THR 27 -24.481 31.220 -7.290 350 HB THR 27 HB THR 27 -25.535 30.150 -9.320 351 HG1 THR 27 HG1 THR 27 -27.459 29.444 -8.530 352 HG21 THR 27 HG21 THR 27 -23.397 29.282 -8.400 353 HG22 THR 27 HG22 THR 27 -24.316 28.213 -7.334 354 HG23 THR 27 HG23 THR 27 -24.366 27.954 -9.086 355 HA PRO 28 HA PRO 28 -27.689 34.308 -7.702 356 HB2 PRO 28 HB2 PRO 28 -26.852 35.713 -9.903 357 HB3 PRO 28 HB3 PRO 28 -26.010 35.786 -8.324 358 HG2 PRO 28 HG2 PRO 28 -25.334 34.045 -10.716 359 HG3 PRO 28 HG3 PRO 28 -24.261 35.081 -9.782 360 HD2 PRO 28 HD2 PRO 28 -24.428 32.442 -9.297 361 HD3 PRO 28 HD3 PRO 28 -24.285 33.581 -7.928 362 H LYS 29 H LYS 29 -29.716 34.417 -8.548 363 HA LYS 29 HA LYS 29 -30.393 33.000 -11.103 364 HB2 LYS 29 HB2 LYS 29 -32.173 34.066 -8.882 365 HB3 LYS 29 HB3 LYS 29 -32.734 33.328 -10.402 366 HG2 LYS 29 HG2 LYS 29 -31.693 31.181 -9.807 367 HG3 LYS 29 HG3 LYS 29 -31.081 31.874 -8.293 368 HD2 LYS 29 HD2 LYS 29 -33.397 32.284 -7.533 369 HD3 LYS 29 HD3 LYS 29 -34.012 31.606 -9.048 370 HE2 LYS 29 HE2 LYS 29 -32.812 29.427 -8.413 371 HE3 LYS 29 HE3 LYS 29 -32.414 30.153 -6.882 372 HZ1 LYS 29 HZ1 LYS 29 -35.186 29.833 -7.871 373 HZ2 LYS 29 HZ2 LYS 29 -34.484 28.807 -6.815 374 HZ3 LYS 29 HZ3 LYS 29 -34.760 30.360 -6.376 375 H ALA 30 H ALA 30 -31.433 34.023 -12.700 376 HA ALA 30 HA ALA 30 -31.980 36.916 -12.633 377 HB1 ALA 30 HB1 ALA 30 -29.967 35.703 -14.587 378 HB2 ALA 30 HB2 ALA 30 -30.571 37.370 -14.613 379 HB3 ALA 30 HB3 ALA 30 -29.568 36.828 -13.247 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -23.623 18.061 -10.630 2 H2 GLY 1 H2 GLY 1 -22.159 18.770 -10.739 3 H3 GLY 1 H3 GLY 1 -23.411 19.353 -11.640 4 HA2 GLY 1 HA2 GLY 1 -23.060 19.518 -8.706 5 HA3 GLY 1 HA3 GLY 1 -22.951 20.804 -9.840 6 H ILE 2 H ILE 2 -24.836 22.146 -9.421 7 HA ILE 2 HA ILE 2 -26.774 20.930 -7.940 8 HB ILE 2 HB ILE 2 -24.684 22.504 -7.690 9 HG12 ILE 2 HG12 ILE 2 -25.080 22.873 -5.402 10 HG13 ILE 2 HG13 ILE 2 -26.774 22.256 -5.655 11 HG21 ILE 2 HG21 ILE 2 -26.235 24.806 -7.960 12 HG22 ILE 2 HG22 ILE 2 -24.641 24.592 -7.057 13 HG23 ILE 2 HG23 ILE 2 -24.860 24.163 -8.769 14 HD11 ILE 2 HD11 ILE 2 -26.011 20.157 -6.177 15 HD12 ILE 2 HD12 ILE 2 -24.534 20.740 -7.063 16 HD13 ILE 2 HD13 ILE 2 -24.553 20.639 -5.249 17 H VAL 3 H VAL 3 -26.824 23.511 -10.059 18 HA VAL 3 HA VAL 3 -29.664 23.477 -9.575 19 HB VAL 3 HB VAL 3 -27.882 25.523 -10.368 20 HG11 VAL 3 HG11 VAL 3 -29.826 27.184 -10.601 21 HG12 VAL 3 HG12 VAL 3 -29.987 25.933 -11.814 22 HG13 VAL 3 HG13 VAL 3 -30.952 25.836 -10.347 23 HG21 VAL 3 HG21 VAL 3 -28.714 26.720 -8.390 24 HG22 VAL 3 HG22 VAL 3 -30.085 25.654 -8.224 25 HG23 VAL 3 HG23 VAL 3 -28.438 25.069 -7.886 26 H GLU 4 H GLU 4 -27.909 24.007 -11.898 27 HA GLU 4 HA GLU 4 -29.526 23.638 -13.912 28 HB2 GLU 4 HB2 GLU 4 -27.532 25.316 -14.688 29 HB3 GLU 4 HB3 GLU 4 -28.638 25.771 -13.340 30 HG2 GLU 4 HG2 GLU 4 -26.552 24.847 -11.894 31 HG3 GLU 4 HG3 GLU 4 -25.700 25.255 -13.422 32 HE2 GLU 4 HE2 GLU 4 -25.495 28.170 -11.350 33 H GLN 5 H GLN 5 -26.601 23.385 -13.617 34 HA GLN 5 HA GLN 5 -25.111 21.527 -14.617 35 HB2 GLN 5 HB2 GLN 5 -26.403 21.890 -11.987 36 HB3 GLN 5 HB3 GLN 5 -25.056 20.734 -12.161 37 HG2 GLN 5 HG2 GLN 5 -24.633 23.571 -13.035 38 HG3 GLN 5 HG3 GLN 5 -24.992 23.349 -11.290 39 HE21 GLN 5 HE21 GLN 5 -21.261 23.307 -11.793 40 HE22 GLN 5 HE22 GLN 5 -22.561 24.489 -11.886 41 H CYS 6 H CYS 6 -28.119 21.099 -12.813 42 HA CYS 6 HA CYS 6 -28.679 18.349 -13.447 43 HB2 CYS 6 HB2 CYS 6 -30.012 20.603 -12.022 44 HB3 CYS 6 HB3 CYS 6 -30.648 18.967 -11.934 45 H CYS 7 H CYS 7 -30.012 21.427 -14.034 46 HA CYS 7 HA CYS 7 -32.554 20.607 -14.920 47 HB2 CYS 7 HB2 CYS 7 -31.552 22.776 -13.934 48 HB3 CYS 7 HB3 CYS 7 -30.926 23.073 -15.453 49 H ALA 8 H ALA 8 -29.658 21.526 -16.907 50 HA ALA 8 HA ALA 8 -30.494 19.652 -19.086 51 HB1 ALA 8 HB1 ALA 8 -28.177 20.396 -19.847 52 HB2 ALA 8 HB2 ALA 8 -29.377 21.703 -19.744 53 HB3 ALA 8 HB3 ALA 8 -28.155 21.500 -18.447 54 H SER 9 H SER 9 -29.770 17.633 -19.050 55 HA SER 9 HA SER 9 -30.240 16.599 -16.592 56 HB2 SER 9 HB2 SER 9 -30.825 15.973 -18.801 57 HB3 SER 9 HB3 SER 9 -29.191 15.353 -18.960 58 HG SER 9 HG SER 9 -30.929 13.810 -18.717 59 H VAL 10 H VAL 10 -29.393 14.561 -16.691 60 HA VAL 10 HA VAL 10 -29.554 15.298 -14.594 61 HB VAL 10 HB VAL 10 -29.583 12.852 -15.959 62 HG11 VAL 10 HG11 VAL 10 -29.220 12.350 -13.129 63 HG12 VAL 10 HG12 VAL 10 -29.857 11.227 -14.417 64 HG13 VAL 10 HG13 VAL 10 -28.241 11.958 -14.618 65 HG21 VAL 10 HG21 VAL 10 -31.381 14.414 -15.600 66 HG22 VAL 10 HG22 VAL 10 -31.707 12.677 -15.401 67 HG23 VAL 10 HG23 VAL 10 -31.655 13.706 -13.965 68 H CYS 11 H CYS 11 -28.994 14.874 -12.350 69 HA CYS 11 HA CYS 11 -26.063 14.953 -11.718 70 HB2 CYS 11 HB2 CYS 11 -26.361 16.983 -10.571 71 HB3 CYS 11 HB3 CYS 11 -27.091 17.218 -12.170 72 H SER 12 H SER 12 -25.335 14.221 -9.841 73 HA SER 12 HA SER 12 -26.682 12.348 -8.652 74 HB2 SER 12 HB2 SER 12 -23.842 12.831 -9.170 75 HB3 SER 12 HB3 SER 12 -24.907 11.491 -9.573 76 HG SER 12 HG SER 12 -25.329 12.327 -11.455 77 H LEU 13 H LEU 13 -24.609 11.614 -7.753 78 HA LEU 13 HA LEU 13 -23.774 12.122 -4.926 79 HB2 LEU 13 HB2 LEU 13 -22.555 11.517 -7.678 80 HB3 LEU 13 HB3 LEU 13 -21.896 10.874 -6.160 81 HG LEU 13 HG LEU 13 -24.711 9.828 -7.086 82 HD11 LEU 13 HD11 LEU 13 -22.225 8.846 -8.335 83 HD12 LEU 13 HD12 LEU 13 -23.919 8.220 -8.340 84 HD13 LEU 13 HD13 LEU 13 -23.607 9.844 -8.996 85 HD21 LEU 13 HD21 LEU 13 -24.160 9.657 -5.067 86 HD22 LEU 13 HD22 LEU 13 -24.120 8.062 -5.852 87 HD23 LEU 13 HD23 LEU 13 -22.574 8.822 -5.325 88 H TYR 14 H TYR 14 -23.335 13.600 -7.954 89 HA TYR 14 HA TYR 14 -21.829 15.806 -6.775 90 HB2 TYR 14 HB2 TYR 14 -21.955 14.334 -8.852 91 HB3 TYR 14 HB3 TYR 14 -23.445 15.103 -9.260 92 HD1 TYR 14 HD1 TYR 14 -20.144 15.682 -8.349 93 HD2 TYR 14 HD2 TYR 14 -23.090 15.923 -11.247 94 HE1 TYR 14 HE1 TYR 14 -18.642 14.401 -9.923 95 HE2 TYR 14 HE2 TYR 14 -22.439 13.701 -10.736 96 HH TYR 14 HH TYR 14 -18.951 12.661 -11.300 97 H GLN 15 H GLN 15 -24.414 15.595 -7.066 98 HA GLN 15 HA GLN 15 -25.077 18.365 -6.138 99 HB2 GLN 15 HB2 GLN 15 -25.849 15.751 -5.380 100 HB3 GLN 15 HB3 GLN 15 -26.636 17.160 -4.552 101 HG2 GLN 15 HG2 GLN 15 -26.641 16.218 -7.390 102 HG3 GLN 15 HG3 GLN 15 -27.800 15.702 -6.198 103 HE21 GLN 15 HE21 GLN 15 -28.441 19.466 -7.691 104 HE22 GLN 15 HE22 GLN 15 -27.004 18.609 -8.193 105 H LEU 16 H LEU 16 -24.430 15.578 -4.819 106 HA LEU 16 HA LEU 16 -23.343 16.231 -2.476 107 HB2 LEU 16 HB2 LEU 16 -24.313 14.020 -4.247 108 HB3 LEU 16 HB3 LEU 16 -23.687 13.377 -3.029 109 HG LEU 16 HG LEU 16 -26.092 14.740 -3.763 110 HD11 LEU 16 HD11 LEU 16 -25.642 12.863 -1.596 111 HD12 LEU 16 HD12 LEU 16 -27.233 13.307 -2.331 112 HD13 LEU 16 HD13 LEU 16 -25.945 12.618 -3.361 113 HD21 LEU 16 HD21 LEU 16 -25.459 16.556 -2.766 114 HD22 LEU 16 HD22 LEU 16 -26.822 15.906 -1.822 115 HD23 LEU 16 HD23 LEU 16 -25.195 15.749 -1.122 116 H GLU 17 H GLU 17 -21.505 15.598 -4.828 117 HA GLU 17 HA GLU 17 -18.987 15.446 -3.256 118 HB2 GLU 17 HB2 GLU 17 -19.589 16.163 -6.163 119 HB3 GLU 17 HB3 GLU 17 -17.936 15.716 -5.473 120 HG2 GLU 17 HG2 GLU 17 -19.587 13.552 -5.087 121 HG3 GLU 17 HG3 GLU 17 -20.405 14.639 -6.282 122 HE2 GLU 17 HE2 GLU 17 -18.752 12.154 -8.327 123 H ASN 18 H ASN 18 -20.552 17.437 -5.716 124 HA ASN 18 HA ASN 18 -18.096 18.579 -5.766 125 HB2 ASN 18 HB2 ASN 18 -20.494 18.898 -7.630 126 HB3 ASN 18 HB3 ASN 18 -20.281 19.239 -6.897 127 HD21 ASN 18 HD21 ASN 18 -17.367 20.327 -8.677 128 HD22 ASN 18 HD22 ASN 18 -18.510 20.291 -7.281 129 H TYR 19 H TYR 19 -20.917 20.067 -5.436 130 HA TYR 19 HA TYR 19 -20.465 22.759 -5.731 131 HB2 TYR 19 HB2 TYR 19 -22.422 20.771 -5.082 132 HB3 TYR 19 HB3 TYR 19 -22.741 22.376 -4.591 133 HD1 TYR 19 HD1 TYR 19 -22.422 24.250 -6.424 134 HD2 TYR 19 HD2 TYR 19 -22.301 20.072 -6.967 135 HE1 TYR 19 HE1 TYR 19 -23.091 22.892 -8.752 136 HE2 TYR 19 HE2 TYR 19 -20.436 21.169 -7.294 137 HH TYR 19 HH TYR 19 -20.040 24.215 -9.170 138 H CYS 20 H CYS 20 -21.554 21.180 -3.432 139 HA CYS 20 HA CYS 20 -22.276 22.971 -1.463 140 HB2 CYS 20 HB2 CYS 20 -23.350 20.873 -2.146 141 HB3 CYS 20 HB3 CYS 20 -21.960 19.927 -1.832 142 H ASN 21 H ASN 21 -19.648 20.440 -1.006 143 HA ASN 21 HA ASN 21 -19.096 21.034 1.686 144 HB2 ASN 21 HB2 ASN 21 -18.992 18.939 0.394 145 HB3 ASN 21 HB3 ASN 21 -17.737 19.588 -0.647 146 HD21 ASN 21 HD21 ASN 21 -15.149 19.318 1.967 147 HD22 ASN 21 HD22 ASN 21 -15.707 20.463 0.746 148 H1 PHE 1 H1 PHE 1 -30.285 4.599 -9.454 149 H2 PHE 1 H2 PHE 1 -29.011 4.545 -10.458 150 H3 PHE 1 H3 PHE 1 -29.851 5.936 -10.268 151 HA PHE 1 HA PHE 1 -28.265 4.561 -8.160 152 HB2 PHE 1 HB2 PHE 1 -27.012 5.638 -10.039 153 HB3 PHE 1 HB3 PHE 1 -27.405 7.246 -9.311 154 HD1 PHE 1 HD1 PHE 1 -25.742 7.887 -7.229 155 HD2 PHE 1 HD2 PHE 1 -26.365 3.940 -8.931 156 HE1 PHE 1 HE1 PHE 1 -25.632 6.771 -4.989 157 HE2 PHE 1 HE2 PHE 1 -27.010 3.220 -6.982 158 HZ PHE 1 HZ PHE 1 -26.412 4.411 -4.745 159 H VAL 2 H VAL 2 -27.830 7.464 -7.329 160 HA VAL 2 HA VAL 2 -29.915 8.136 -5.475 161 HB VAL 2 HB VAL 2 -27.366 9.179 -6.565 162 HG11 VAL 2 HG11 VAL 2 -29.080 10.993 -4.807 163 HG12 VAL 2 HG12 VAL 2 -27.344 11.212 -5.073 164 HG13 VAL 2 HG13 VAL 2 -28.449 11.352 -6.430 165 HG21 VAL 2 HG21 VAL 2 -27.555 7.610 -4.552 166 HG22 VAL 2 HG22 VAL 2 -26.617 9.084 -4.200 167 HG23 VAL 2 HG23 VAL 2 -28.309 8.960 -3.661 168 H ASN 3 H ASN 3 -28.865 8.987 -8.262 169 HA ASN 3 HA ASN 3 -29.357 11.642 -8.671 170 HB2 ASN 3 HB2 ASN 3 -29.101 9.392 -10.435 171 HB3 ASN 3 HB3 ASN 3 -29.505 11.088 -11.178 172 HD21 ASN 3 HD21 ASN 3 -27.724 10.215 -8.715 173 HD22 ASN 3 HD22 ASN 3 -27.097 9.039 -9.565 174 H GLN 4 H GLN 4 -30.495 12.832 -9.929 175 HA GLN 4 HA GLN 4 -33.102 12.635 -11.063 176 HB2 GLN 4 HB2 GLN 4 -34.079 13.858 -9.393 177 HB3 GLN 4 HB3 GLN 4 -32.944 12.773 -8.611 178 HG2 GLN 4 HG2 GLN 4 -32.313 15.622 -8.951 179 HG3 GLN 4 HG3 GLN 4 -33.085 14.953 -7.507 180 HE21 GLN 4 HE21 GLN 4 -30.057 13.018 -6.521 181 HE22 GLN 4 HE22 GLN 4 -31.728 12.669 -6.809 182 H HIS 5 H HIS 5 -33.342 14.790 -10.709 183 HA HIS 5 HA HIS 5 -32.762 15.670 -13.309 184 HB2 HIS 5 HB2 HIS 5 -34.753 14.809 -11.641 185 HB3 HIS 5 HB3 HIS 5 -35.215 16.093 -11.599 186 HD2 HIS 5 HD2 HIS 5 -36.937 14.074 -12.463 187 HE1 HIS 5 HE1 HIS 5 -33.642 13.649 -12.924 188 HE2 HIS 5 HE2 HIS 5 -35.586 12.071 -12.910 189 H LEU 6 H LEU 6 -34.001 16.894 -10.891 190 HA LEU 6 HA LEU 6 -34.678 19.042 -11.941 191 HB2 LEU 6 HB2 LEU 6 -35.384 17.773 -9.543 192 HB3 LEU 6 HB3 LEU 6 -35.531 19.555 -9.396 193 HG LEU 6 HG LEU 6 -37.529 17.825 -10.411 194 HD11 LEU 6 HD11 LEU 6 -37.276 20.840 -10.414 195 HD12 LEU 6 HD12 LEU 6 -38.804 19.941 -10.508 196 HD13 LEU 6 HD13 LEU 6 -37.848 19.861 -9.035 197 HD21 LEU 6 HD21 LEU 6 -36.589 18.103 -12.734 198 HD22 LEU 6 HD22 LEU 6 -38.120 18.981 -12.488 199 HD23 LEU 6 HD23 LEU 6 -36.583 19.886 -12.469 200 H CYS 7 H CYS 7 -35.332 20.952 -11.215 201 HA CYS 7 HA CYS 7 -32.989 22.706 -11.170 202 HB2 CYS 7 HB2 CYS 7 -34.411 21.829 -13.051 203 HB3 CYS 7 HB3 CYS 7 -35.710 22.769 -12.440 204 H GLY 8 H GLY 8 -35.424 22.119 -9.077 205 HA2 GLY 8 HA2 GLY 8 -36.481 24.731 -8.286 206 HA3 GLY 8 HA3 GLY 8 -36.641 23.222 -7.459 207 H SER 9 H SER 9 -36.693 24.797 -6.079 208 HA SER 9 HA SER 9 -34.265 25.428 -4.444 209 HB2 SER 9 HB2 SER 9 -37.161 26.202 -4.622 210 HB3 SER 9 HB3 SER 9 -36.061 27.209 -3.589 211 HG SER 9 HG SER 9 -36.642 28.243 -5.611 212 H HIS 10 H HIS 10 -36.878 23.946 -4.216 213 HA HIS 10 HA HIS 10 -36.032 23.020 -1.798 214 HB2 HIS 10 HB2 HIS 10 -38.365 23.817 -3.442 215 HB3 HIS 10 HB3 HIS 10 -38.359 22.278 -3.569 216 HD2 HIS 10 HD2 HIS 10 -37.391 24.790 -1.382 217 HE1 HIS 10 HE1 HIS 10 -40.504 23.289 1.186 218 HE2 HIS 10 HE2 HIS 10 -38.747 25.129 1.012 219 H LEU 11 H LEU 11 -36.042 22.017 -4.061 220 HA LEU 11 HA LEU 11 -34.031 21.103 -2.493 221 HB2 LEU 11 HB2 LEU 11 -33.352 19.073 -4.228 222 HB3 LEU 11 HB3 LEU 11 -35.039 19.049 -3.673 223 HG LEU 11 HG LEU 11 -34.419 18.733 -6.258 224 HD11 LEU 11 HD11 LEU 11 -36.831 20.419 -5.478 225 HD12 LEU 11 HD12 LEU 11 -36.680 19.285 -6.836 226 HD13 LEU 11 HD13 LEU 11 -36.723 18.644 -5.222 227 HD21 LEU 11 HD21 LEU 11 -33.522 21.049 -6.660 228 HD22 LEU 11 HD22 LEU 11 -35.009 20.774 -7.520 229 HD23 LEU 11 HD23 LEU 11 -35.093 21.685 -6.012 230 H VAL 12 H VAL 12 -33.935 23.351 -2.972 231 HA VAL 12 HA VAL 12 -31.218 22.824 -2.131 232 HB VAL 12 HB VAL 12 -33.012 24.922 -2.785 233 HG11 VAL 12 HG11 VAL 12 -31.017 25.935 -1.141 234 HG12 VAL 12 HG12 VAL 12 -31.987 26.954 -2.265 235 HG13 VAL 12 HG13 VAL 12 -32.818 25.734 -1.223 236 HG21 VAL 12 HG21 VAL 12 -32.595 24.352 -4.622 237 HG22 VAL 12 HG22 VAL 12 -31.849 25.988 -4.578 238 HG23 VAL 12 HG23 VAL 12 -30.774 24.558 -4.542 239 H GLU 13 H GLU 13 -34.124 23.719 -1.354 240 HA GLU 13 HA GLU 13 -33.141 22.577 1.023 241 HB2 GLU 13 HB2 GLU 13 -35.701 23.847 0.157 242 HB3 GLU 13 HB3 GLU 13 -35.517 23.902 1.993 243 HG2 GLU 13 HG2 GLU 13 -33.624 25.680 1.410 244 HG3 GLU 13 HG3 GLU 13 -34.420 25.673 -0.135 245 HE2 GLU 13 HE2 GLU 13 -35.835 28.365 1.906 246 H ALA 14 H ALA 14 -34.291 21.665 -0.816 247 HA ALA 14 HA ALA 14 -34.238 19.411 1.209 248 HB1 ALA 14 HB1 ALA 14 -33.550 19.435 -1.651 249 HB2 ALA 14 HB2 ALA 14 -33.625 17.891 -0.801 250 HB3 ALA 14 HB3 ALA 14 -35.168 18.702 -1.237 251 H LEU 15 H LEU 15 -32.251 21.223 -0.930 252 HA LEU 15 HA LEU 15 -30.439 19.145 -0.402 253 HB2 LEU 15 HB2 LEU 15 -30.011 19.445 -2.481 254 HB3 LEU 15 HB3 LEU 15 -30.948 20.913 -2.522 255 HG LEU 15 HG LEU 15 -28.624 21.256 -3.419 256 HD11 LEU 15 HD11 LEU 15 -29.706 22.578 -1.001 257 HD12 LEU 15 HD12 LEU 15 -27.968 22.829 -1.175 258 HD13 LEU 15 HD13 LEU 15 -29.066 23.357 -2.494 259 HD21 LEU 15 HD21 LEU 15 -27.861 20.839 -0.612 260 HD22 LEU 15 HD22 LEU 15 -28.069 19.398 -1.557 261 HD23 LEU 15 HD23 LEU 15 -26.803 20.582 -2.037 262 H TYR 16 H TYR 16 -30.758 22.260 0.617 263 HA TYR 16 HA TYR 16 -28.664 22.784 2.509 264 HB2 TYR 16 HB2 TYR 16 -30.384 23.831 1.848 265 HB3 TYR 16 HB3 TYR 16 -31.613 23.186 2.426 266 HD1 TYR 16 HD1 TYR 16 -32.067 25.223 2.833 267 HD2 TYR 16 HD2 TYR 16 -28.434 24.013 4.240 268 HE1 TYR 16 HE1 TYR 16 -31.067 25.520 1.010 269 HE2 TYR 16 HE2 TYR 16 -27.455 24.826 2.276 270 HH TYR 16 HH TYR 16 -29.218 26.668 -0.251 271 H LEU 17 H LEU 17 -31.189 20.862 2.691 272 HA LEU 17 HA LEU 17 -30.925 20.077 5.396 273 HB2 LEU 17 HB2 LEU 17 -33.031 19.749 3.189 274 HB3 LEU 17 HB3 LEU 17 -33.278 19.232 4.791 275 HG LEU 17 HG LEU 17 -32.972 21.900 3.612 276 HD11 LEU 17 HD11 LEU 17 -35.168 22.374 4.500 277 HD12 LEU 17 HD12 LEU 17 -35.270 20.641 4.023 278 HD13 LEU 17 HD13 LEU 17 -35.063 21.079 5.710 279 HD21 LEU 17 HD21 LEU 17 -33.268 22.993 5.958 280 HD22 LEU 17 HD22 LEU 17 -32.785 21.446 6.618 281 HD23 LEU 17 HD23 LEU 17 -31.654 22.328 5.578 282 H VAL 18 H VAL 18 -30.022 18.860 2.741 283 HA VAL 18 HA VAL 18 -29.466 16.100 3.623 284 HB VAL 18 HB VAL 18 -29.762 17.737 1.155 285 HG11 VAL 18 HG11 VAL 18 -28.538 15.108 1.137 286 HG12 VAL 18 HG12 VAL 18 -29.406 15.872 -0.244 287 HG13 VAL 18 HG13 VAL 18 -28.057 16.703 0.478 288 HG21 VAL 18 HG21 VAL 18 -31.550 17.122 2.340 289 HG22 VAL 18 HG22 VAL 18 -31.537 16.362 0.742 290 HG23 VAL 18 HG23 VAL 18 -31.184 15.404 2.218 291 H CYS 19 H CYS 19 -28.056 18.354 1.949 292 HA CYS 19 HA CYS 19 -25.313 17.339 1.902 293 HB2 CYS 19 HB2 CYS 19 -26.866 18.464 0.193 294 HB3 CYS 19 HB3 CYS 19 -26.467 19.955 0.877 295 H GLY 20 H GLY 20 -26.970 19.932 3.131 296 HA2 GLY 20 HA2 GLY 20 -27.277 19.734 5.463 297 HA3 GLY 20 HA3 GLY 20 -25.671 19.054 5.631 298 H GLU 21 H GLU 21 -24.338 19.989 6.896 299 HA GLU 21 HA GLU 21 -25.030 21.805 8.686 300 HB2 GLU 21 HB2 GLU 21 -22.658 20.235 7.620 301 HB3 GLU 21 HB3 GLU 21 -22.444 21.307 8.919 302 HG2 GLU 21 HG2 GLU 21 -24.404 19.113 8.728 303 HG3 GLU 21 HG3 GLU 21 -22.772 18.970 9.385 304 HE2 GLU 21 HE2 GLU 21 -24.970 19.328 12.283 305 H ARG 22 H ARG 22 -22.682 21.784 6.819 306 HA ARG 22 HA ARG 22 -20.878 23.832 6.405 307 HB2 ARG 22 HB2 ARG 22 -22.592 22.090 4.630 308 HB3 ARG 22 HB3 ARG 22 -21.119 22.876 4.001 309 HG2 ARG 22 HG2 ARG 22 -19.780 21.338 4.888 310 HG3 ARG 22 HG3 ARG 22 -20.627 21.359 6.471 311 HD2 ARG 22 HD2 ARG 22 -22.454 20.071 5.525 312 HD3 ARG 22 HD3 ARG 22 -21.548 19.888 3.983 313 HE ARG 22 HE ARG 22 -19.912 18.982 6.138 314 HH11 ARG 22 HH11 ARG 22 -22.718 17.931 4.380 315 HH12 ARG 22 HH12 ARG 22 -22.425 16.225 4.723 316 HH21 ARG 22 HH21 ARG 22 -19.492 16.834 6.458 317 HH22 ARG 22 HH22 ARG 22 -20.646 15.628 5.907 318 H GLY 23 H GLY 23 -20.719 24.913 4.513 319 HA2 GLY 23 HA2 GLY 23 -21.423 24.738 2.411 320 HA3 GLY 23 HA3 GLY 23 -22.716 24.485 3.220 321 H PHE 24 H PHE 24 -23.773 24.912 2.380 322 HA PHE 24 HA PHE 24 -23.065 24.717 0.269 323 HB2 PHE 24 HB2 PHE 24 -25.636 24.599 1.230 324 HB3 PHE 24 HB3 PHE 24 -25.845 24.230 -0.435 325 HD1 PHE 24 HD1 PHE 24 -22.788 23.237 1.668 326 HD2 PHE 24 HD2 PHE 24 -26.082 22.035 -0.549 327 HE1 PHE 24 HE1 PHE 24 -24.066 23.232 3.640 328 HE2 PHE 24 HE2 PHE 24 -27.293 22.899 0.939 329 HZ PHE 24 HZ PHE 24 -26.631 22.938 3.461 330 H PHE 25 H PHE 25 -22.948 25.175 -1.955 331 HA PHE 25 HA PHE 25 -21.495 26.938 -2.283 332 HB2 PHE 25 HB2 PHE 25 -22.287 24.748 -3.425 333 HB3 PHE 25 HB3 PHE 25 -23.407 25.628 -4.171 334 HD1 PHE 25 HD1 PHE 25 -20.242 25.772 -3.360 335 HD2 PHE 25 HD2 PHE 25 -23.339 26.848 -5.915 336 HE1 PHE 25 HE1 PHE 25 -19.705 27.972 -3.318 337 HE2 PHE 25 HE2 PHE 25 -22.280 28.892 -6.464 338 HZ PHE 25 HZ PHE 25 -20.292 29.636 -5.137 339 H TYR 26 H TYR 26 -24.150 26.774 -3.398 340 HA TYR 26 HA TYR 26 -24.840 27.784 -5.414 341 HB2 TYR 26 HB2 TYR 26 -26.205 27.182 -3.721 342 HB3 TYR 26 HB3 TYR 26 -26.949 28.919 -3.932 343 HD1 TYR 26 HD1 TYR 26 -26.030 27.009 -6.847 344 HD2 TYR 26 HD2 TYR 26 -29.042 27.659 -4.041 345 HE1 TYR 26 HE1 TYR 26 -25.240 25.636 -5.157 346 HE2 TYR 26 HE2 TYR 26 -29.076 25.310 -3.468 347 HH TYR 26 HH TYR 26 -25.858 23.690 -3.772 348 H THR 27 H THR 27 -26.098 29.099 -6.365 349 HA THR 27 HA THR 27 -24.481 31.220 -7.290 350 HB THR 27 HB THR 27 -25.535 30.150 -9.320 351 HG1 THR 27 HG1 THR 27 -27.459 29.444 -8.530 352 HG21 THR 27 HG21 THR 27 -23.397 29.282 -8.400 353 HG22 THR 27 HG22 THR 27 -24.316 28.213 -7.334 354 HG23 THR 27 HG23 THR 27 -24.366 27.954 -9.086 355 HA PRO 28 HA PRO 28 -27.689 34.308 -7.702 356 HB2 PRO 28 HB2 PRO 28 -26.852 35.713 -9.903 357 HB3 PRO 28 HB3 PRO 28 -26.010 35.786 -8.324 358 HG2 PRO 28 HG2 PRO 28 -25.334 34.045 -10.716 359 HG3 PRO 28 HG3 PRO 28 -24.261 35.081 -9.782 360 HD2 PRO 28 HD2 PRO 28 -24.428 32.442 -9.297 361 HD3 PRO 28 HD3 PRO 28 -24.285 33.581 -7.928 362 H LYS 29 H LYS 29 -29.716 34.417 -8.548 363 HA LYS 29 HA LYS 29 -30.393 33.000 -11.103 364 HB2 LYS 29 HB2 LYS 29 -32.173 34.066 -8.882 365 HB3 LYS 29 HB3 LYS 29 -32.734 33.328 -10.402 366 HG2 LYS 29 HG2 LYS 29 -31.693 31.181 -9.807 367 HG3 LYS 29 HG3 LYS 29 -31.081 31.874 -8.293 368 HD2 LYS 29 HD2 LYS 29 -33.397 32.284 -7.533 369 HD3 LYS 29 HD3 LYS 29 -34.012 31.606 -9.048 370 HE2 LYS 29 HE2 LYS 29 -32.812 29.427 -8.413 371 HE3 LYS 29 HE3 LYS 29 -32.414 30.153 -6.882 372 HZ1 LYS 29 HZ1 LYS 29 -35.186 29.833 -7.871 373 HZ2 LYS 29 HZ2 LYS 29 -34.484 28.807 -6.815 374 HZ3 LYS 29 HZ3 LYS 29 -34.760 30.360 -6.376 375 H ALA 30 H ALA 30 -31.433 34.023 -12.700 376 HA ALA 30 HA ALA 30 -31.980 36.916 -12.633 377 HB1 ALA 30 HB1 ALA 30 -29.967 35.703 -14.587 378 HB2 ALA 30 HB2 ALA 30 -30.571 37.370 -14.613 379 HB3 ALA 30 HB3 ALA 30 -29.568 36.828 -13.247
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