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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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650815 |
6kh9 ![]() ![]() |
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 -21.090 27.273 -10.234 2 H2 GLY 1 H2 GLY 1 -21.626 28.386 -9.145 3 H3 GLY 1 H3 GLY 1 -22.643 27.779 -10.298 4 HA2 GLY 1 HA2 GLY 1 -21.460 26.205 -8.100 5 HA3 GLY 1 HA3 GLY 1 -23.148 26.755 -8.184 6 H ILE 2 H ILE 2 -22.415 23.983 -7.980 7 HA ILE 2 HA ILE 2 -22.116 22.740 -10.521 8 HB ILE 2 HB ILE 2 -21.245 21.805 -8.449 9 HG12 ILE 2 HG12 ILE 2 -21.924 19.438 -8.636 10 HG13 ILE 2 HG13 ILE 2 -23.276 19.877 -9.672 11 HG21 ILE 2 HG21 ILE 2 -23.111 22.408 -6.900 12 HG22 ILE 2 HG22 ILE 2 -24.105 21.130 -7.640 13 HG23 ILE 2 HG23 ILE 2 -22.616 20.723 -6.771 14 HD11 ILE 2 HD11 ILE 2 -20.320 20.333 -10.304 15 HD12 ILE 2 HD12 ILE 2 -21.332 19.018 -10.940 16 HD13 ILE 2 HD13 ILE 2 -21.681 20.692 -11.394 17 H VAL 3 H VAL 3 -25.063 23.457 -8.743 18 HA VAL 3 HA VAL 3 -26.800 21.520 -9.376 19 HB VAL 3 HB VAL 3 -27.325 23.346 -7.918 20 HG11 VAL 3 HG11 VAL 3 -27.672 25.144 -10.362 21 HG12 VAL 3 HG12 VAL 3 -28.019 25.572 -8.678 22 HG13 VAL 3 HG13 VAL 3 -26.353 25.267 -9.181 23 HG21 VAL 3 HG21 VAL 3 -29.422 23.476 -10.096 24 HG22 VAL 3 HG22 VAL 3 -29.248 22.111 -8.988 25 HG23 VAL 3 HG23 VAL 3 -29.619 23.718 -8.343 26 H GLU 4 H GLU 4 -25.773 23.766 -11.879 27 HA GLU 4 HA GLU 4 -28.006 23.311 -13.638 28 HB2 GLU 4 HB2 GLU 4 -26.095 25.180 -13.584 29 HB3 GLU 4 HB3 GLU 4 -25.220 24.027 -14.590 30 HG2 GLU 4 HG2 GLU 4 -26.354 25.521 -16.070 31 HG3 GLU 4 HG3 GLU 4 -27.261 24.012 -16.149 32 HE2 GLU 4 HE2 GLU 4 -29.764 26.462 -15.826 33 H GLN 5 H GLN 5 -25.045 21.458 -13.003 34 HA GLN 5 HA GLN 5 -24.800 20.500 -15.679 35 HB2 GLN 5 HB2 GLN 5 -23.455 19.704 -13.078 36 HB3 GLN 5 HB3 GLN 5 -23.008 18.987 -14.618 37 HG2 GLN 5 HG2 GLN 5 -22.890 21.968 -13.988 38 HG3 GLN 5 HG3 GLN 5 -21.530 20.851 -13.922 39 HE21 GLN 5 HE21 GLN 5 -22.206 20.767 -17.789 40 HE22 GLN 5 HE22 GLN 5 -22.951 19.634 -16.660 41 H CYS 6 H CYS 6 -26.841 19.192 -13.245 42 HA CYS 6 HA CYS 6 -27.362 16.974 -15.162 43 HB2 CYS 6 HB2 CYS 6 -26.291 16.164 -13.069 44 HB3 CYS 6 HB3 CYS 6 -27.704 16.727 -12.174 45 H CYS 7 H CYS 7 -28.582 19.844 -14.400 46 HA CYS 7 HA CYS 7 -31.425 19.050 -14.227 47 HB2 CYS 7 HB2 CYS 7 -30.636 21.033 -13.009 48 HB3 CYS 7 HB3 CYS 7 -30.132 21.765 -14.539 49 H ALA 8 H ALA 8 -30.763 17.637 -16.143 50 HA ALA 8 HA ALA 8 -31.759 18.814 -18.645 51 HB1 ALA 8 HB1 ALA 8 -28.874 17.818 -18.439 52 HB2 ALA 8 HB2 ALA 8 -29.708 18.297 -19.933 53 HB3 ALA 8 HB3 ALA 8 -29.382 19.506 -18.680 54 H SER 9 H SER 9 -30.579 15.908 -16.898 55 HA SER 9 HA SER 9 -32.300 14.066 -18.292 56 HB2 SER 9 HB2 SER 9 -29.392 14.309 -19.149 57 HB3 SER 9 HB3 SER 9 -30.193 12.729 -19.171 58 HG SER 9 HG SER 9 -31.360 15.014 -20.356 59 H VAL 10 H VAL 10 -31.267 11.668 -17.694 60 HA VAL 10 HA VAL 10 -30.603 11.692 -14.818 61 HB VAL 10 HB VAL 10 -30.362 9.247 -15.050 62 HG11 VAL 10 HG11 VAL 10 -33.007 10.337 -16.087 63 HG12 VAL 10 HG12 VAL 10 -32.744 8.783 -15.265 64 HG13 VAL 10 HG13 VAL 10 -32.482 10.302 -14.391 65 HG21 VAL 10 HG21 VAL 10 -29.756 9.052 -17.447 66 HG22 VAL 10 HG22 VAL 10 -31.169 8.072 -17.037 67 HG23 VAL 10 HG23 VAL 10 -31.381 9.603 -17.905 68 H CYS 11 H CYS 11 -28.612 11.172 -13.928 69 HA CYS 11 HA CYS 11 -26.248 10.938 -15.693 70 HB2 CYS 11 HB2 CYS 11 -26.074 12.932 -13.473 71 HB3 CYS 11 HB3 CYS 11 -25.221 12.869 -15.005 72 H SER 12 H SER 12 -24.211 10.953 -14.067 73 HA SER 12 HA SER 12 -24.734 9.141 -11.757 74 HB2 SER 12 HB2 SER 12 -22.166 10.371 -12.831 75 HB3 SER 12 HB3 SER 12 -22.292 9.350 -11.383 76 HG SER 12 HG SER 12 -23.122 8.581 -13.985 77 H LEU 13 H LEU 13 -24.431 9.886 -9.602 78 HA LEU 13 HA LEU 13 -25.427 12.432 -9.062 79 HB2 LEU 13 HB2 LEU 13 -24.556 12.005 -6.683 80 HB3 LEU 13 HB3 LEU 13 -25.813 11.004 -7.376 81 HG LEU 13 HG LEU 13 -24.246 9.164 -7.733 82 HD11 LEU 13 HD11 LEU 13 -22.168 11.009 -6.485 83 HD12 LEU 13 HD12 LEU 13 -21.975 9.256 -6.695 84 HD13 LEU 13 HD13 LEU 13 -22.123 10.288 -8.112 85 HD21 LEU 13 HD21 LEU 13 -23.876 8.625 -5.364 86 HD22 LEU 13 HD22 LEU 13 -24.102 10.334 -4.922 87 HD23 LEU 13 HD23 LEU 13 -25.451 9.396 -5.583 88 H TYR 14 H TYR 14 -22.075 11.754 -9.692 89 HA TYR 14 HA TYR 14 -20.886 14.062 -8.553 90 HB2 TYR 14 HB2 TYR 14 -20.052 12.837 -11.192 91 HB3 TYR 14 HB3 TYR 14 -19.037 13.575 -9.964 92 HD1 TYR 14 HD1 TYR 14 -19.128 12.329 -7.569 93 HD2 TYR 14 HD2 TYR 14 -20.084 10.511 -11.363 94 HE1 TYR 14 HE1 TYR 14 -18.756 10.074 -6.584 95 HE2 TYR 14 HE2 TYR 14 -19.740 8.251 -10.362 96 HH TYR 14 HH TYR 14 -18.707 7.835 -6.982 97 H GLN 15 H GLN 15 -22.937 13.797 -11.420 98 HA GLN 15 HA GLN 15 -22.290 16.536 -12.354 99 HB2 GLN 15 HB2 GLN 15 -24.370 14.490 -13.248 100 HB3 GLN 15 HB3 GLN 15 -24.161 16.093 -13.944 101 HG2 GLN 15 HG2 GLN 15 -23.037 14.773 -15.450 102 HG3 GLN 15 HG3 GLN 15 -21.740 15.438 -14.468 103 HE21 GLN 15 HE21 GLN 15 -20.539 12.188 -13.855 104 HE22 GLN 15 HE22 GLN 15 -20.223 13.919 -13.847 105 H LEU 16 H LEU 16 -24.365 15.071 -10.008 106 HA LEU 16 HA LEU 16 -26.411 17.196 -10.149 107 HB2 LEU 16 HB2 LEU 16 -26.982 14.771 -10.067 108 HB3 LEU 16 HB3 LEU 16 -26.237 14.647 -8.486 109 HG LEU 16 HG LEU 16 -28.702 14.677 -8.507 110 HD11 LEU 16 HD11 LEU 16 -29.060 16.093 -6.616 111 HD12 LEU 16 HD12 LEU 16 -27.465 15.326 -6.479 112 HD13 LEU 16 HD13 LEU 16 -27.598 17.032 -6.951 113 HD21 LEU 16 HD21 LEU 16 -29.109 16.266 -10.315 114 HD22 LEU 16 HD22 LEU 16 -29.947 16.753 -8.838 115 HD23 LEU 16 HD23 LEU 16 -28.464 17.597 -9.325 116 H GLU 17 H GLU 17 -24.079 15.846 -7.733 117 HA GLU 17 HA GLU 17 -23.785 18.534 -6.639 118 HB2 GLU 17 HB2 GLU 17 -25.504 16.559 -5.311 119 HB3 GLU 17 HB3 GLU 17 -24.164 17.003 -4.269 120 HG2 GLU 17 HG2 GLU 17 -26.067 18.980 -5.608 121 HG3 GLU 17 HG3 GLU 17 -26.113 18.474 -3.927 122 HE2 GLU 17 HE2 GLU 17 -24.146 21.553 -4.262 123 H ASN 18 H ASN 18 -22.120 18.900 -5.289 124 HA ASN 18 HA ASN 18 -19.782 17.088 -5.564 125 HB2 ASN 18 HB2 ASN 18 -19.774 19.364 -6.570 126 HB3 ASN 18 HB3 ASN 18 -20.076 20.070 -4.983 127 HD21 ASN 18 HD21 ASN 18 -16.398 18.653 -4.606 128 HD22 ASN 18 HD22 ASN 18 -17.829 17.707 -4.208 129 H TYR 19 H TYR 19 -21.793 18.752 -3.103 130 HA TYR 19 HA TYR 19 -19.825 17.988 -0.984 131 HB2 TYR 19 HB2 TYR 19 -21.934 20.128 -0.732 132 HB3 TYR 19 HB3 TYR 19 -20.411 19.965 0.125 133 HD1 TYR 19 HD1 TYR 19 -18.232 20.111 -1.450 134 HD2 TYR 19 HD2 TYR 19 -22.125 21.712 -2.405 135 HE1 TYR 19 HE1 TYR 19 -17.210 21.577 -3.179 136 HE2 TYR 19 HE2 TYR 19 -21.076 23.196 -4.133 137 HH TYR 19 HH TYR 19 -17.822 22.645 -5.196 138 H CYS 20 H CYS 20 -22.848 16.964 -1.945 139 HA CYS 20 HA CYS 20 -23.803 16.216 0.753 140 HB2 CYS 20 HB2 CYS 20 -25.391 17.978 -1.145 141 HB3 CYS 20 HB3 CYS 20 -25.929 17.403 0.424 142 H ASN 21 H ASN 21 -23.086 14.201 -0.619 143 HA ASN 21 HA ASN 21 -25.097 13.431 -2.652 144 HB2 ASN 21 HB2 ASN 21 -23.003 12.671 -3.984 145 HB3 ASN 21 HB3 ASN 21 -23.534 14.339 -4.010 146 HD21 ASN 21 HD21 ASN 21 -20.064 14.901 -3.656 147 HD22 ASN 21 HD22 ASN 21 -21.352 14.702 -4.870 148 H1 PHE 1 H1 PHE 1 -23.325 8.739 -0.466 149 H2 PHE 1 H2 PHE 1 -24.033 9.734 -1.532 150 H3 PHE 1 H3 PHE 1 -23.598 8.244 -2.041 151 HA PHE 1 HA PHE 1 -25.193 7.255 -0.498 152 HB2 PHE 1 HB2 PHE 1 -25.209 9.108 1.090 153 HB3 PHE 1 HB3 PHE 1 -25.917 10.176 -0.111 154 HD1 PHE 1 HD1 PHE 1 -28.037 10.783 0.613 155 HD2 PHE 1 HD2 PHE 1 -26.846 6.642 0.964 156 HE1 PHE 1 HE1 PHE 1 -30.328 10.178 1.313 157 HE2 PHE 1 HE2 PHE 1 -29.150 6.051 1.659 158 HZ PHE 1 HZ PHE 1 -30.893 7.814 1.836 159 H VAL 2 H VAL 2 -27.770 8.983 -1.339 160 HA VAL 2 HA VAL 2 -27.691 8.853 -4.249 161 HB VAL 2 HB VAL 2 -29.917 7.759 -4.378 162 HG11 VAL 2 HG11 VAL 2 -27.770 5.919 -3.267 163 HG12 VAL 2 HG12 VAL 2 -29.122 5.478 -4.330 164 HG13 VAL 2 HG13 VAL 2 -27.833 6.537 -4.928 165 HG21 VAL 2 HG21 VAL 2 -30.725 6.301 -2.598 166 HG22 VAL 2 HG22 VAL 2 -29.395 6.794 -1.534 167 HG23 VAL 2 HG23 VAL 2 -30.639 7.968 -2.008 168 H ASN 3 H ASN 3 -29.667 10.141 -5.107 169 HA ASN 3 HA ASN 3 -29.812 12.450 -3.197 170 HB2 ASN 3 HB2 ASN 3 -28.922 12.429 -6.105 171 HB3 ASN 3 HB3 ASN 3 -29.073 13.857 -5.090 172 HD21 ASN 3 HD21 ASN 3 -26.180 11.932 -3.215 173 HD22 ASN 3 HD22 ASN 3 -27.880 11.900 -2.803 174 H GLN 4 H GLN 4 -30.988 14.243 -3.783 175 HA GLN 4 HA GLN 4 -33.744 13.819 -4.434 176 HB2 GLN 4 HB2 GLN 4 -32.191 16.455 -4.460 177 HB3 GLN 4 HB3 GLN 4 -33.918 16.235 -4.306 178 HG2 GLN 4 HG2 GLN 4 -33.168 16.780 -2.158 179 HG3 GLN 4 HG3 GLN 4 -33.537 15.057 -2.101 180 HE21 GLN 4 HE21 GLN 4 -29.494 15.735 -2.150 181 HE22 GLN 4 HE22 GLN 4 -30.446 16.454 -3.458 182 H HIS 5 H HIS 5 -34.538 13.465 -6.416 183 HA HIS 5 HA HIS 5 -33.118 13.917 -8.870 184 HB2 HIS 5 HB2 HIS 5 -34.790 12.076 -8.169 185 HB3 HIS 5 HB3 HIS 5 -36.058 13.228 -8.574 186 HD2 HIS 5 HD2 HIS 5 -36.396 13.736 -11.222 187 HE1 HIS 5 HE1 HIS 5 -33.708 10.743 -12.633 188 HE2 HIS 5 HE2 HIS 5 -35.531 12.395 -13.321 189 H LEU 6 H LEU 6 -33.158 16.448 -7.818 190 HA LEU 6 HA LEU 6 -35.424 17.916 -9.125 191 HB2 LEU 6 HB2 LEU 6 -34.213 18.176 -6.360 192 HB3 LEU 6 HB3 LEU 6 -34.957 19.551 -7.129 193 HG LEU 6 HG LEU 6 -36.483 18.568 -5.596 194 HD11 LEU 6 HD11 LEU 6 -37.497 17.946 -8.395 195 HD12 LEU 6 HD12 LEU 6 -38.453 18.357 -6.966 196 HD13 LEU 6 HD13 LEU 6 -37.397 19.577 -7.696 197 HD21 LEU 6 HD21 LEU 6 -35.681 16.184 -5.731 198 HD22 LEU 6 HD22 LEU 6 -37.438 16.397 -5.712 199 HD23 LEU 6 HD23 LEU 6 -36.620 16.021 -7.232 200 H CYS 7 H CYS 7 -35.068 19.712 -10.197 201 HA CYS 7 HA CYS 7 -32.374 20.638 -10.849 202 HB2 CYS 7 HB2 CYS 7 -35.210 21.395 -11.575 203 HB3 CYS 7 HB3 CYS 7 -33.903 22.495 -11.949 204 H GLY 8 H GLY 8 -31.573 22.697 -10.517 205 HA2 GLY 8 HA2 GLY 8 -31.313 24.859 -9.728 206 HA3 GLY 8 HA3 GLY 8 -33.018 24.891 -10.130 207 H SER 9 H SER 9 -34.162 25.841 -8.694 208 HA SER 9 HA SER 9 -33.358 26.686 -6.107 209 HB2 SER 9 HB2 SER 9 -35.052 27.864 -7.412 210 HB3 SER 9 HB3 SER 9 -36.121 26.450 -7.356 211 HG SER 9 HG SER 9 -35.309 28.083 -5.176 212 H HIS 10 H HIS 10 -35.640 24.035 -7.022 213 HA HIS 10 HA HIS 10 -36.243 23.191 -4.409 214 HB2 HIS 10 HB2 HIS 10 -36.116 21.546 -6.965 215 HB3 HIS 10 HB3 HIS 10 -37.055 21.162 -5.516 216 HD2 HIS 10 HD2 HIS 10 -39.463 22.182 -5.384 217 HE1 HIS 10 HE1 HIS 10 -39.244 24.898 -8.664 218 HE2 HIS 10 HE2 HIS 10 -40.784 23.872 -6.911 219 H LEU 11 H LEU 11 -33.548 22.203 -6.535 220 HA LEU 11 HA LEU 11 -32.508 20.197 -4.779 221 HB2 LEU 11 HB2 LEU 11 -31.884 20.907 -7.269 222 HB3 LEU 11 HB3 LEU 11 -30.679 21.901 -6.480 223 HG LEU 11 HG LEU 11 -30.988 18.865 -6.372 224 HD11 LEU 11 HD11 LEU 11 -28.763 18.900 -7.405 225 HD12 LEU 11 HD12 LEU 11 -29.884 19.852 -8.372 226 HD13 LEU 11 HD13 LEU 11 -28.702 20.663 -7.305 227 HD21 LEU 11 HD21 LEU 11 -30.243 19.466 -4.145 228 HD22 LEU 11 HD22 LEU 11 -28.865 18.842 -5.051 229 HD23 LEU 11 HD23 LEU 11 -29.039 20.598 -4.815 230 H VAL 12 H VAL 12 -31.462 23.676 -5.122 231 HA VAL 12 HA VAL 12 -29.679 23.430 -2.872 232 HB VAL 12 HB VAL 12 -29.392 25.829 -2.927 233 HG11 VAL 12 HG11 VAL 12 -29.423 24.639 -5.726 234 HG12 VAL 12 HG12 VAL 12 -28.434 25.997 -5.150 235 HG13 VAL 12 HG13 VAL 12 -28.164 24.372 -4.498 236 HG21 VAL 12 HG21 VAL 12 -31.672 26.609 -3.449 237 HG22 VAL 12 HG22 VAL 12 -30.478 27.265 -4.572 238 HG23 VAL 12 HG23 VAL 12 -31.522 25.925 -5.081 239 H GLU 13 H GLU 13 -33.077 24.451 -2.973 240 HA GLU 13 HA GLU 13 -33.289 25.258 -0.243 241 HB2 GLU 13 HB2 GLU 13 -35.020 25.681 -1.955 242 HB3 GLU 13 HB3 GLU 13 -35.298 23.952 -2.123 243 HG2 GLU 13 HG2 GLU 13 -37.065 24.921 -0.810 244 HG3 GLU 13 HG3 GLU 13 -36.136 23.827 0.209 245 HE2 GLU 13 HE2 GLU 13 -35.248 27.535 1.142 246 H ALA 14 H ALA 14 -33.646 21.966 -1.750 247 HA ALA 14 HA ALA 14 -34.102 20.625 0.743 248 HB1 ALA 14 HB1 ALA 14 -33.571 18.602 -0.523 249 HB2 ALA 14 HB2 ALA 14 -34.636 19.660 -1.470 250 HB3 ALA 14 HB3 ALA 14 -32.903 19.569 -1.855 251 H LEU 15 H LEU 15 -31.042 21.461 -0.972 252 HA LEU 15 HA LEU 15 -29.311 20.016 0.797 253 HB2 LEU 15 HB2 LEU 15 -28.735 22.595 -0.721 254 HB3 LEU 15 HB3 LEU 15 -27.532 21.567 0.046 255 HG LEU 15 HG LEU 15 -29.234 20.866 -2.355 256 HD11 LEU 15 HD11 LEU 15 -26.243 21.178 -1.991 257 HD12 LEU 15 HD12 LEU 15 -27.122 20.816 -3.502 258 HD13 LEU 15 HD13 LEU 15 -27.332 22.386 -2.721 259 HD21 LEU 15 HD21 LEU 15 -29.026 18.815 -1.099 260 HD22 LEU 15 HD22 LEU 15 -27.882 18.758 -2.437 261 HD23 LEU 15 HD23 LEU 15 -27.309 19.134 -0.790 262 H TYR 16 H TYR 16 -30.950 23.094 1.358 263 HA TYR 16 HA TYR 16 -29.247 23.988 3.501 264 HB2 TYR 16 HB2 TYR 16 -30.998 25.344 2.298 265 HB3 TYR 16 HB3 TYR 16 -32.233 24.444 3.158 266 HD1 TYR 16 HD1 TYR 16 -29.586 26.986 3.422 267 HD2 TYR 16 HD2 TYR 16 -32.551 24.737 5.605 268 HE1 TYR 16 HE1 TYR 16 -29.340 28.537 5.356 269 HE2 TYR 16 HE2 TYR 16 -32.305 26.298 7.534 270 HH TYR 16 HH TYR 16 -29.975 28.987 7.518 271 H LEU 17 H LEU 17 -32.146 21.883 3.469 272 HA LEU 17 HA LEU 17 -31.956 21.309 6.342 273 HB2 LEU 17 HB2 LEU 17 -33.690 20.125 4.116 274 HB3 LEU 17 HB3 LEU 17 -33.731 19.638 5.803 275 HG LEU 17 HG LEU 17 -34.197 22.179 6.306 276 HD11 LEU 17 HD11 LEU 17 -35.175 21.947 3.417 277 HD12 LEU 17 HD12 LEU 17 -35.597 23.248 4.550 278 HD13 LEU 17 HD13 LEU 17 -33.935 23.068 4.007 279 HD21 LEU 17 HD21 LEU 17 -35.758 20.341 6.749 280 HD22 LEU 17 HD22 LEU 17 -36.617 21.736 6.086 281 HD23 LEU 17 HD23 LEU 17 -36.268 20.336 5.044 282 H VAL 18 H VAL 18 -31.517 19.336 3.363 283 HA VAL 18 HA VAL 18 -30.808 16.944 4.734 284 HB VAL 18 HB VAL 18 -30.249 17.850 1.881 285 HG11 VAL 18 HG11 VAL 18 -30.011 15.431 1.334 286 HG12 VAL 18 HG12 VAL 18 -28.701 16.019 2.354 287 HG13 VAL 18 HG13 VAL 18 -30.012 15.056 3.068 288 HG21 VAL 18 HG21 VAL 18 -32.666 17.667 2.470 289 HG22 VAL 18 HG22 VAL 18 -32.177 16.420 1.318 290 HG23 VAL 18 HG23 VAL 18 -32.393 16.005 3.030 291 H CYS 19 H CYS 19 -28.739 19.602 3.586 292 HA CYS 19 HA CYS 19 -26.346 18.074 4.405 293 HB2 CYS 19 HB2 CYS 19 -26.823 19.583 2.227 294 HB3 CYS 19 HB3 CYS 19 -26.047 20.786 3.245 295 H GLY 20 H GLY 20 -28.496 19.707 6.095 296 HA2 GLY 20 HA2 GLY 20 -28.681 20.154 8.246 297 HA3 GLY 20 HA3 GLY 20 -27.248 19.160 8.382 298 H GLU 21 H GLU 21 -25.402 21.127 7.367 299 HA GLU 21 HA GLU 21 -25.322 23.140 9.595 300 HB2 GLU 21 HB2 GLU 21 -23.128 21.189 8.774 301 HB3 GLU 21 HB3 GLU 21 -23.004 22.399 10.043 302 HG2 GLU 21 HG2 GLU 21 -24.875 19.981 10.096 303 HG3 GLU 21 HG3 GLU 21 -23.328 20.101 10.908 304 HE2 GLU 21 HE2 GLU 21 -25.907 20.937 13.262 305 H ARG 22 H ARG 22 -24.561 22.419 6.270 306 HA ARG 22 HA ARG 22 -23.112 25.024 6.011 307 HB2 ARG 22 HB2 ARG 22 -21.330 23.869 4.652 308 HB3 ARG 22 HB3 ARG 22 -21.329 23.620 6.379 309 HG2 ARG 22 HG2 ARG 22 -20.761 21.599 5.082 310 HG3 ARG 22 HG3 ARG 22 -22.074 21.385 6.217 311 HD2 ARG 22 HD2 ARG 22 -22.399 20.181 4.066 312 HD3 ARG 22 HD3 ARG 22 -23.713 21.249 4.517 313 HE ARG 22 HE ARG 22 -23.504 22.252 2.497 314 HH11 ARG 22 HH11 ARG 22 -20.289 21.054 3.137 315 HH12 ARG 22 HH12 ARG 22 -19.644 21.792 1.695 316 HH21 ARG 22 HH21 ARG 22 -22.718 23.092 0.779 317 HH22 ARG 22 HH22 ARG 22 -21.037 22.865 0.294 318 H GLY 23 H GLY 23 -25.669 23.502 4.747 319 HA2 GLY 23 HA2 GLY 23 -26.818 23.702 2.719 320 HA3 GLY 23 HA3 GLY 23 -26.322 25.372 2.974 321 H PHE 24 H PHE 24 -25.656 26.245 1.129 322 HA PHE 24 HA PHE 24 -24.124 24.667 -0.880 323 HB2 PHE 24 HB2 PHE 24 -25.712 25.537 -2.599 324 HB3 PHE 24 HB3 PHE 24 -26.382 24.387 -1.463 325 HD1 PHE 24 HD1 PHE 24 -28.165 24.967 0.077 326 HD2 PHE 24 HD2 PHE 24 -26.427 27.966 -2.498 327 HE1 PHE 24 HE1 PHE 24 -30.011 26.521 0.619 328 HE2 PHE 24 HE2 PHE 24 -28.262 29.522 -1.912 329 HZ PHE 24 HZ PHE 24 -30.055 28.806 -0.348 330 H PHE 25 H PHE 25 -22.682 26.445 0.659 331 HA PHE 25 HA PHE 25 -22.170 28.968 -0.441 332 HB2 PHE 25 HB2 PHE 25 -20.180 26.826 0.404 333 HB3 PHE 25 HB3 PHE 25 -19.763 28.498 0.072 334 HD1 PHE 25 HD1 PHE 25 -20.625 30.355 1.524 335 HD2 PHE 25 HD2 PHE 25 -21.132 26.194 2.549 336 HE1 PHE 25 HE1 PHE 25 -21.095 30.986 3.877 337 HE2 PHE 25 HE2 PHE 25 -21.598 26.836 4.900 338 HZ PHE 25 HZ PHE 25 -21.583 29.229 5.566 339 H TYR 26 H TYR 26 -21.404 29.763 -2.317 340 HA TYR 26 HA TYR 26 -20.612 27.978 -4.546 341 HB2 TYR 26 HB2 TYR 26 -23.245 29.336 -4.070 342 HB3 TYR 26 HB3 TYR 26 -22.582 29.614 -5.646 343 HD1 TYR 26 HD1 TYR 26 -21.722 26.220 -4.594 344 HD2 TYR 26 HD2 TYR 26 -24.879 28.713 -6.166 345 HE1 TYR 26 HE1 TYR 26 -22.876 24.220 -5.423 346 HE2 TYR 26 HE2 TYR 26 -26.034 26.676 -7.030 347 HH TYR 26 HH TYR 26 -25.361 23.577 -6.087 348 H THR 27 H THR 27 -20.319 29.155 -6.541 349 HA THR 27 HA THR 27 -18.405 31.213 -6.565 350 HB THR 27 HB THR 27 -19.129 31.409 -8.996 351 HG1 THR 27 HG1 THR 27 -21.293 30.918 -8.513 352 HG21 THR 27 HG21 THR 27 -18.791 28.526 -8.031 353 HG22 THR 27 HG22 THR 27 -18.482 29.156 -9.669 354 HG23 THR 27 HG23 THR 27 -17.472 29.681 -8.316 355 HA PRO 28 HA PRO 28 -21.091 34.784 -5.860 356 HB2 PRO 28 HB2 PRO 28 -19.401 36.825 -6.523 357 HB3 PRO 28 HB3 PRO 28 -19.161 35.818 -5.063 358 HG2 PRO 28 HG2 PRO 28 -17.860 35.470 -7.789 359 HG3 PRO 28 HG3 PRO 28 -17.054 35.561 -6.188 360 HD2 PRO 28 HD2 PRO 28 -17.639 33.181 -7.352 361 HD3 PRO 28 HD3 PRO 28 -17.813 33.401 -5.582 362 H LYS 29 H LYS 29 -21.918 36.723 -7.074 363 HA LYS 29 HA LYS 29 -21.700 36.620 -10.005 364 HB2 LYS 29 HB2 LYS 29 -23.486 35.061 -9.554 365 HB3 LYS 29 HB3 LYS 29 -24.319 36.208 -8.520 366 HG2 LYS 29 HG2 LYS 29 -25.207 35.763 -10.913 367 HG3 LYS 29 HG3 LYS 29 -25.199 37.397 -10.282 368 HD2 LYS 29 HD2 LYS 29 -24.534 37.377 -12.619 369 HD3 LYS 29 HD3 LYS 29 -23.273 37.995 -11.588 370 HE2 LYS 29 HE2 LYS 29 -22.398 35.455 -11.684 371 HE3 LYS 29 HE3 LYS 29 -23.396 35.423 -13.152 372 HZ1 LYS 29 HZ1 LYS 29 -21.326 36.227 -13.956 373 HZ2 LYS 29 HZ2 LYS 29 -22.011 37.697 -13.518 374 HZ3 LYS 29 HZ3 LYS 29 -20.998 37.040 -12.559 375 H ALA 30 H ALA 30 -20.454 38.387 -9.223 376 HA ALA 30 HA ALA 30 -22.012 40.521 -10.533 377 HB1 ALA 30 HB1 ALA 30 -19.022 40.391 -9.889 378 HB2 ALA 30 HB2 ALA 30 -19.831 41.646 -10.847 379 HB3 ALA 30 HB3 ALA 30 -20.203 41.482 -9.119 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -19.048 26.116 -11.262 2 H2 GLY 1 H2 GLY 1 -19.786 25.393 -12.555 3 H3 GLY 1 H3 GLY 1 -18.652 24.574 -11.708 4 HA2 GLY 1 HA2 GLY 1 -20.054 24.420 -9.788 5 HA3 GLY 1 HA3 GLY 1 -21.241 25.454 -10.621 6 H ILE 2 H ILE 2 -21.536 22.613 -9.664 7 HA ILE 2 HA ILE 2 -20.919 20.876 -11.787 8 HB ILE 2 HB ILE 2 -20.895 20.299 -9.412 9 HG12 ILE 2 HG12 ILE 2 -22.021 18.042 -9.556 10 HG13 ILE 2 HG13 ILE 2 -22.704 18.527 -11.098 11 HG21 ILE 2 HG21 ILE 2 -23.097 21.439 -8.758 12 HG22 ILE 2 HG22 ILE 2 -23.923 20.029 -9.445 13 HG23 ILE 2 HG23 ILE 2 -22.822 19.831 -8.086 14 HD11 ILE 2 HD11 ILE 2 -20.626 17.147 -11.305 15 HD12 ILE 2 HD12 ILE 2 -20.444 18.729 -12.068 16 HD13 ILE 2 HD13 ILE 2 -19.711 18.416 -10.474 17 H VAL 3 H VAL 3 -24.186 21.996 -10.861 18 HA VAL 3 HA VAL 3 -25.294 19.703 -11.917 19 HB VAL 3 HB VAL 3 -26.079 21.210 -10.053 20 HG11 VAL 3 HG11 VAL 3 -26.234 23.325 -11.352 21 HG12 VAL 3 HG12 VAL 3 -27.606 22.655 -12.254 22 HG13 VAL 3 HG13 VAL 3 -27.740 22.917 -10.512 23 HG21 VAL 3 HG21 VAL 3 -28.270 20.205 -11.905 24 HG22 VAL 3 HG22 VAL 3 -27.365 19.229 -10.735 25 HG23 VAL 3 HG23 VAL 3 -28.403 20.546 -10.174 26 H GLU 4 H GLU 4 -24.549 22.352 -13.903 27 HA GLU 4 HA GLU 4 -26.884 22.946 -15.246 28 HB2 GLU 4 HB2 GLU 4 -24.042 22.969 -16.349 29 HB3 GLU 4 HB3 GLU 4 -25.434 23.701 -17.155 30 HG2 GLU 4 HG2 GLU 4 -25.826 25.128 -15.129 31 HG3 GLU 4 HG3 GLU 4 -24.318 24.505 -14.435 32 HE2 GLU 4 HE2 GLU 4 -22.432 26.395 -16.660 33 H GLN 5 H GLN 5 -24.608 20.378 -16.390 34 HA GLN 5 HA GLN 5 -26.340 19.757 -18.635 35 HB2 GLN 5 HB2 GLN 5 -24.165 17.970 -17.498 36 HB3 GLN 5 HB3 GLN 5 -24.824 17.987 -19.133 37 HG2 GLN 5 HG2 GLN 5 -22.914 19.938 -17.828 38 HG3 GLN 5 HG3 GLN 5 -22.723 19.043 -19.330 39 HE21 GLN 5 HE21 GLN 5 -24.812 21.478 -21.127 40 HE22 GLN 5 HE22 GLN 5 -24.572 19.731 -21.082 41 H CYS 6 H CYS 6 -26.215 18.596 -15.310 42 HA CYS 6 HA CYS 6 -27.931 16.297 -15.888 43 HB2 CYS 6 HB2 CYS 6 -26.095 16.819 -13.888 44 HB3 CYS 6 HB3 CYS 6 -27.646 17.091 -13.071 45 H CYS 7 H CYS 7 -28.505 19.649 -15.380 46 HA CYS 7 HA CYS 7 -31.321 19.325 -14.652 47 HB2 CYS 7 HB2 CYS 7 -29.789 21.584 -15.974 48 HB3 CYS 7 HB3 CYS 7 -31.478 21.677 -15.479 49 H ALA 8 H ALA 8 -29.544 18.604 -17.526 50 HA ALA 8 HA ALA 8 -32.027 18.679 -19.185 51 HB1 ALA 8 HB1 ALA 8 -30.510 18.941 -21.090 52 HB2 ALA 8 HB2 ALA 8 -30.227 20.218 -19.888 53 HB3 ALA 8 HB3 ALA 8 -29.101 18.845 -20.013 54 H SER 9 H SER 9 -29.827 16.448 -17.707 55 HA SER 9 HA SER 9 -31.231 14.232 -18.938 56 HB2 SER 9 HB2 SER 9 -29.331 14.886 -20.583 57 HB3 SER 9 HB3 SER 9 -28.231 14.229 -19.357 58 HG SER 9 HG SER 9 -30.171 12.966 -20.940 59 H VAL 10 H VAL 10 -29.843 12.094 -18.242 60 HA VAL 10 HA VAL 10 -29.728 12.229 -15.274 61 HB VAL 10 HB VAL 10 -29.699 9.760 -15.349 62 HG11 VAL 10 HG11 VAL 10 -32.055 9.488 -15.936 63 HG12 VAL 10 HG12 VAL 10 -31.804 11.003 -15.057 64 HG13 VAL 10 HG13 VAL 10 -32.044 11.027 -16.818 65 HG21 VAL 10 HG21 VAL 10 -28.758 9.399 -17.627 66 HG22 VAL 10 HG22 VAL 10 -30.286 8.544 -17.383 67 HG23 VAL 10 HG23 VAL 10 -30.253 10.038 -18.338 68 H CYS 11 H CYS 11 -27.986 11.498 -14.045 69 HA CYS 11 HA CYS 11 -25.430 10.875 -15.370 70 HB2 CYS 11 HB2 CYS 11 -25.320 12.981 -13.239 71 HB3 CYS 11 HB3 CYS 11 -24.246 12.682 -14.606 72 H SER 12 H SER 12 -23.727 10.314 -13.614 73 HA SER 12 HA SER 12 -24.798 8.681 -11.465 74 HB2 SER 12 HB2 SER 12 -22.065 9.975 -11.394 75 HB3 SER 12 HB3 SER 12 -22.574 8.442 -10.684 76 HG SER 12 HG SER 12 -22.632 7.555 -12.755 77 H LEU 13 H LEU 13 -25.113 9.239 -9.271 78 HA LEU 13 HA LEU 13 -26.095 11.771 -8.814 79 HB2 LEU 13 HB2 LEU 13 -26.130 11.049 -6.376 80 HB3 LEU 13 HB3 LEU 13 -27.007 10.137 -7.572 81 HG LEU 13 HG LEU 13 -25.303 8.360 -7.580 82 HD11 LEU 13 HD11 LEU 13 -23.650 8.307 -5.669 83 HD12 LEU 13 HD12 LEU 13 -23.264 9.428 -6.964 84 HD13 LEU 13 HD13 LEU 13 -23.953 10.043 -5.440 85 HD21 LEU 13 HD21 LEU 13 -25.816 7.465 -5.351 86 HD22 LEU 13 HD22 LEU 13 -26.369 9.076 -4.840 87 HD23 LEU 13 HD23 LEU 13 -27.234 8.197 -6.116 88 H TYR 14 H TYR 14 -22.708 10.906 -8.125 89 HA TYR 14 HA TYR 14 -22.121 13.432 -6.832 90 HB2 TYR 14 HB2 TYR 14 -19.739 12.477 -8.022 91 HB3 TYR 14 HB3 TYR 14 -20.237 12.400 -6.356 92 HD1 TYR 14 HD1 TYR 14 -20.661 10.312 -5.301 93 HD2 TYR 14 HD2 TYR 14 -20.321 10.539 -9.596 94 HE1 TYR 14 HE1 TYR 14 -20.628 7.827 -5.428 95 HE2 TYR 14 HE2 TYR 14 -20.306 8.038 -9.717 96 HH TYR 14 HH TYR 14 -20.321 6.005 -6.815 97 H GLN 15 H GLN 15 -22.428 12.511 -10.203 98 HA GLN 15 HA GLN 15 -21.139 14.944 -11.253 99 HB2 GLN 15 HB2 GLN 15 -22.944 12.949 -12.674 100 HB3 GLN 15 HB3 GLN 15 -21.975 14.217 -13.406 101 HG2 GLN 15 HG2 GLN 15 -19.903 13.041 -12.616 102 HG3 GLN 15 HG3 GLN 15 -20.910 11.725 -12.008 103 HE21 GLN 15 HE21 GLN 15 -21.060 10.313 -15.284 104 HE22 GLN 15 HE22 GLN 15 -21.272 9.974 -13.572 105 H LEU 16 H LEU 16 -24.246 13.983 -9.981 106 HA LEU 16 HA LEU 16 -25.686 16.226 -11.210 107 HB2 LEU 16 HB2 LEU 16 -26.611 13.945 -10.795 108 HB3 LEU 16 HB3 LEU 16 -26.609 14.264 -9.066 109 HG LEU 16 HG LEU 16 -28.051 16.114 -11.008 110 HD11 LEU 16 HD11 LEU 16 -29.157 13.595 -9.705 111 HD12 LEU 16 HD12 LEU 16 -30.058 14.770 -10.701 112 HD13 LEU 16 HD13 LEU 16 -28.789 13.796 -11.428 113 HD21 LEU 16 HD21 LEU 16 -27.941 16.980 -8.714 114 HD22 LEU 16 HD22 LEU 16 -29.580 16.453 -9.067 115 HD23 LEU 16 HD23 LEU 16 -28.537 15.427 -8.069 116 H GLU 17 H GLU 17 -24.875 15.323 -7.806 117 HA GLU 17 HA GLU 17 -24.899 18.228 -7.143 118 HB2 GLU 17 HB2 GLU 17 -26.886 16.303 -6.362 119 HB3 GLU 17 HB3 GLU 17 -26.055 16.819 -4.916 120 HG2 GLU 17 HG2 GLU 17 -27.341 18.657 -6.976 121 HG3 GLU 17 HG3 GLU 17 -28.002 18.235 -5.404 122 HE2 GLU 17 HE2 GLU 17 -26.577 21.378 -4.785 123 H ASN 18 H ASN 18 -22.633 17.216 -7.661 124 HA ASN 18 HA ASN 18 -20.818 16.032 -6.210 125 HB2 ASN 18 HB2 ASN 18 -20.246 17.321 -8.131 126 HB3 ASN 18 HB3 ASN 18 -20.775 18.834 -7.387 127 HD21 ASN 18 HD21 ASN 18 -17.202 17.594 -5.909 128 HD22 ASN 18 HD22 ASN 18 -18.559 16.491 -5.775 129 H TYR 19 H TYR 19 -22.092 19.168 -4.972 130 HA TYR 19 HA TYR 19 -20.057 19.347 -2.924 131 HB2 TYR 19 HB2 TYR 19 -22.669 20.873 -3.265 132 HB3 TYR 19 HB3 TYR 19 -21.327 21.336 -2.227 133 HD1 TYR 19 HD1 TYR 19 -19.103 21.952 -3.241 134 HD2 TYR 19 HD2 TYR 19 -22.653 21.390 -5.621 135 HE1 TYR 19 HE1 TYR 19 -18.014 23.147 -5.127 136 HE2 TYR 19 HE2 TYR 19 -21.543 22.565 -7.527 137 HH TYR 19 HH TYR 19 -18.177 23.659 -7.307 138 H CYS 20 H CYS 20 -23.303 17.945 -2.936 139 HA CYS 20 HA CYS 20 -23.227 17.513 0.000 140 HB2 CYS 20 HB2 CYS 20 -25.307 19.211 -1.394 141 HB3 CYS 20 HB3 CYS 20 -25.326 18.768 0.309 142 H ASN 21 H ASN 21 -23.432 15.635 -2.350 143 HA ASN 21 HA ASN 21 -26.213 14.653 -2.243 144 HB2 ASN 21 HB2 ASN 21 -24.969 14.672 -4.427 145 HB3 ASN 21 HB3 ASN 21 -23.871 13.460 -3.751 146 HD21 ASN 21 HD21 ASN 21 -27.727 12.395 -4.756 147 HD22 ASN 21 HD22 ASN 21 -27.320 14.070 -4.630 148 H1 PHE 1 H1 PHE 1 -23.725 10.919 -0.097 149 H2 PHE 1 H2 PHE 1 -24.557 9.619 0.591 150 H3 PHE 1 H3 PHE 1 -25.246 11.116 0.395 151 HA PHE 1 HA PHE 1 -25.071 11.032 -1.896 152 HB2 PHE 1 HB2 PHE 1 -24.631 9.156 -3.179 153 HB3 PHE 1 HB3 PHE 1 -23.259 9.556 -2.187 154 HD1 PHE 1 HD1 PHE 1 -22.107 7.560 -2.537 155 HD2 PHE 1 HD2 PHE 1 -26.162 7.330 -1.049 156 HE1 PHE 1 HE1 PHE 1 -21.861 5.122 -2.187 157 HE2 PHE 1 HE2 PHE 1 -25.893 4.924 -0.699 158 HZ PHE 1 HZ PHE 1 -23.757 3.798 -1.279 159 H VAL 2 H VAL 2 -26.782 10.240 -3.193 160 HA VAL 2 HA VAL 2 -28.906 10.028 -3.623 161 HB VAL 2 HB VAL 2 -30.428 8.489 -2.762 162 HG11 VAL 2 HG11 VAL 2 -28.757 7.705 -4.326 163 HG12 VAL 2 HG12 VAL 2 -27.676 7.240 -2.990 164 HG13 VAL 2 HG13 VAL 2 -29.236 6.422 -3.209 165 HG21 VAL 2 HG21 VAL 2 -29.869 8.615 -0.292 166 HG22 VAL 2 HG22 VAL 2 -30.182 7.007 -0.962 167 HG23 VAL 2 HG23 VAL 2 -28.522 7.506 -0.630 168 H ASN 3 H ASN 3 -28.009 12.280 -1.955 169 HA ASN 3 HA ASN 3 -30.698 13.298 -1.493 170 HB2 ASN 3 HB2 ASN 3 -29.886 15.344 -1.396 171 HB3 ASN 3 HB3 ASN 3 -28.371 14.518 -1.130 172 HD21 ASN 3 HD21 ASN 3 -27.367 16.998 -3.500 173 HD22 ASN 3 HD22 ASN 3 -27.404 16.606 -1.782 174 H GLN 4 H GLN 4 -32.013 14.388 -3.066 175 HA GLN 4 HA GLN 4 -32.484 12.366 -5.072 176 HB2 GLN 4 HB2 GLN 4 -34.168 14.762 -4.235 177 HB3 GLN 4 HB3 GLN 4 -34.689 13.450 -5.284 178 HG2 GLN 4 HG2 GLN 4 -35.551 12.954 -3.115 179 HG3 GLN 4 HG3 GLN 4 -34.253 11.809 -3.434 180 HE21 GLN 4 HE21 GLN 4 -33.010 12.662 -0.216 181 HE22 GLN 4 HE22 GLN 4 -33.529 11.367 -1.275 182 H HIS 5 H HIS 5 -33.196 12.680 -7.202 183 HA HIS 5 HA HIS 5 -31.256 13.888 -8.802 184 HB2 HIS 5 HB2 HIS 5 -32.789 11.837 -9.157 185 HB3 HIS 5 HB3 HIS 5 -33.997 12.970 -9.755 186 HD2 HIS 5 HD2 HIS 5 -33.403 14.187 -12.161 187 HE1 HIS 5 HE1 HIS 5 -29.988 11.821 -13.070 188 HE2 HIS 5 HE2 HIS 5 -31.595 13.597 -13.969 189 H LEU 6 H LEU 6 -33.797 15.723 -7.485 190 HA LEU 6 HA LEU 6 -34.624 17.021 -9.969 191 HB2 LEU 6 HB2 LEU 6 -35.268 17.699 -7.084 192 HB3 LEU 6 HB3 LEU 6 -35.997 18.470 -8.479 193 HG LEU 6 HG LEU 6 -36.225 15.480 -7.888 194 HD11 LEU 6 HD11 LEU 6 -38.182 17.743 -7.332 195 HD12 LEU 6 HD12 LEU 6 -38.528 16.008 -7.164 196 HD13 LEU 6 HD13 LEU 6 -37.315 16.764 -6.124 197 HD21 LEU 6 HD21 LEU 6 -36.589 16.011 -10.269 198 HD22 LEU 6 HD22 LEU 6 -38.116 15.587 -9.493 199 HD23 LEU 6 HD23 LEU 6 -37.743 17.291 -9.823 200 H CYS 7 H CYS 7 -33.257 18.323 -11.018 201 HA CYS 7 HA CYS 7 -31.496 20.287 -9.946 202 HB2 CYS 7 HB2 CYS 7 -31.508 19.660 -12.276 203 HB3 CYS 7 HB3 CYS 7 -33.193 20.139 -12.468 204 H GLY 8 H GLY 8 -34.944 20.161 -9.780 205 HA2 GLY 8 HA2 GLY 8 -35.455 23.012 -9.433 206 HA3 GLY 8 HA3 GLY 8 -36.603 21.692 -9.205 207 H SER 9 H SER 9 -36.944 23.552 -7.526 208 HA SER 9 HA SER 9 -35.270 24.169 -5.470 209 HB2 SER 9 HB2 SER 9 -38.293 23.999 -5.228 210 HB3 SER 9 HB3 SER 9 -37.207 25.102 -4.364 211 HG SER 9 HG SER 9 -36.839 26.198 -6.243 212 H HIS 10 H HIS 10 -37.273 21.253 -5.521 213 HA HIS 10 HA HIS 10 -37.986 21.030 -2.911 214 HB2 HIS 10 HB2 HIS 10 -37.300 18.748 -4.789 215 HB3 HIS 10 HB3 HIS 10 -38.297 18.620 -3.337 216 HD2 HIS 10 HD2 HIS 10 -40.845 19.069 -3.639 217 HE1 HIS 10 HE1 HIS 10 -40.786 20.936 -7.472 218 HE2 HIS 10 HE2 HIS 10 -42.287 20.044 -5.612 219 H LEU 11 H LEU 11 -35.064 19.167 -4.069 220 HA LEU 11 HA LEU 11 -34.401 18.830 -1.218 221 HB2 LEU 11 HB2 LEU 11 -32.852 17.244 -1.715 222 HB3 LEU 11 HB3 LEU 11 -34.241 16.916 -2.709 223 HG LEU 11 HG LEU 11 -32.308 16.346 -3.878 224 HD11 LEU 11 HD11 LEU 11 -33.259 18.948 -5.119 225 HD12 LEU 11 HD12 LEU 11 -32.491 17.579 -5.925 226 HD13 LEU 11 HD13 LEU 11 -34.092 17.366 -5.201 227 HD21 LEU 11 HD21 LEU 11 -31.125 19.120 -3.832 228 HD22 LEU 11 HD22 LEU 11 -30.675 17.831 -2.684 229 HD23 LEU 11 HD23 LEU 11 -30.438 17.611 -4.425 230 H VAL 12 H VAL 12 -33.239 20.929 -3.859 231 HA VAL 12 HA VAL 12 -30.808 21.623 -2.497 232 HB VAL 12 HB VAL 12 -30.657 23.588 -3.884 233 HG11 VAL 12 HG11 VAL 12 -31.617 21.196 -5.509 234 HG12 VAL 12 HG12 VAL 12 -30.543 22.495 -6.050 235 HG13 VAL 12 HG13 VAL 12 -29.998 21.375 -4.794 236 HG21 VAL 12 HG21 VAL 12 -33.010 24.324 -3.981 237 HG22 VAL 12 HG22 VAL 12 -32.322 24.127 -5.600 238 HG23 VAL 12 HG23 VAL 12 -33.404 22.886 -4.955 239 H GLU 13 H GLU 13 -34.107 22.843 -2.076 240 HA GLU 13 HA GLU 13 -33.500 24.917 -0.204 241 HB2 GLU 13 HB2 GLU 13 -35.685 24.664 -1.278 242 HB3 GLU 13 HB3 GLU 13 -35.897 23.069 -0.558 243 HG2 GLU 13 HG2 GLU 13 -37.279 24.671 0.595 244 HG3 GLU 13 HG3 GLU 13 -36.052 24.080 1.699 245 HE2 GLU 13 HE2 GLU 13 -36.199 27.597 2.170 246 H ALA 14 H ALA 14 -33.733 21.367 0.207 247 HA ALA 14 HA ALA 14 -33.509 21.510 3.117 248 HB1 ALA 14 HB1 ALA 14 -33.343 19.091 2.996 249 HB2 ALA 14 HB2 ALA 14 -34.670 19.642 1.954 250 HB3 ALA 14 HB3 ALA 14 -33.121 19.137 1.241 251 H LEU 15 H LEU 15 -31.211 21.057 0.386 252 HA LEU 15 HA LEU 15 -28.921 20.361 1.893 253 HB2 LEU 15 HB2 LEU 15 -29.026 22.027 -0.645 254 HB3 LEU 15 HB3 LEU 15 -27.593 21.251 0.018 255 HG LEU 15 HG LEU 15 -30.034 19.847 -1.101 256 HD11 LEU 15 HD11 LEU 15 -27.171 19.997 -2.057 257 HD12 LEU 15 HD12 LEU 15 -28.494 19.084 -2.817 258 HD13 LEU 15 HD13 LEU 15 -28.557 20.847 -2.759 259 HD21 LEU 15 HD21 LEU 15 -29.198 18.515 0.776 260 HD22 LEU 15 HD22 LEU 15 -28.850 17.747 -0.750 261 HD23 LEU 15 HD23 LEU 15 -27.551 18.599 0.115 262 H TYR 16 H TYR 16 -30.380 23.524 1.682 263 HA TYR 16 HA TYR 16 -28.296 25.148 2.681 264 HB2 TYR 16 HB2 TYR 16 -30.442 25.960 1.891 265 HB3 TYR 16 HB3 TYR 16 -31.287 25.073 3.140 266 HD1 TYR 16 HD1 TYR 16 -28.336 26.981 4.335 267 HD2 TYR 16 HD2 TYR 16 -32.560 27.117 3.445 268 HE1 TYR 16 HE1 TYR 16 -28.553 29.028 5.692 269 HE2 TYR 16 HE2 TYR 16 -32.763 29.196 4.811 270 HH TYR 16 HH TYR 16 -29.990 30.589 6.547 271 H LEU 17 H LEU 17 -30.444 22.916 4.460 272 HA LEU 17 HA LEU 17 -28.972 23.405 7.007 273 HB2 LEU 17 HB2 LEU 17 -31.492 21.755 6.493 274 HB3 LEU 17 HB3 LEU 17 -30.767 22.162 8.039 275 HG LEU 17 HG LEU 17 -31.173 24.686 7.149 276 HD11 LEU 17 HD11 LEU 17 -32.232 23.980 4.984 277 HD12 LEU 17 HD12 LEU 17 -33.450 23.071 5.891 278 HD13 LEU 17 HD13 LEU 17 -33.365 24.840 6.022 279 HD21 LEU 17 HD21 LEU 17 -32.024 23.746 9.253 280 HD22 LEU 17 HD22 LEU 17 -33.282 24.674 8.428 281 HD23 LEU 17 HD23 LEU 17 -33.316 22.896 8.376 282 H VAL 18 H VAL 18 -29.862 20.765 4.766 283 HA VAL 18 HA VAL 18 -28.692 18.646 6.294 284 HB VAL 18 HB VAL 18 -29.451 18.855 3.361 285 HG11 VAL 18 HG11 VAL 18 -27.827 17.039 3.495 286 HG12 VAL 18 HG12 VAL 18 -28.653 16.367 4.917 287 HG13 VAL 18 HG13 VAL 18 -29.448 16.367 3.325 288 HG21 VAL 18 HG21 VAL 18 -30.807 17.489 5.727 289 HG22 VAL 18 HG22 VAL 18 -31.326 19.020 4.997 290 HG23 VAL 18 HG23 VAL 18 -31.405 17.528 4.053 291 H CYS 19 H CYS 19 -27.223 20.859 3.951 292 HA CYS 19 HA CYS 19 -24.665 19.391 4.126 293 HB2 CYS 19 HB2 CYS 19 -25.749 20.561 2.045 294 HB3 CYS 19 HB3 CYS 19 -24.983 22.006 2.692 295 H GLY 20 H GLY 20 -25.969 20.602 6.523 296 HA2 GLY 20 HA2 GLY 20 -25.049 21.209 8.517 297 HA3 GLY 20 HA3 GLY 20 -23.530 21.620 7.721 298 H GLU 21 H GLU 21 -23.555 23.703 6.472 299 HA GLU 21 HA GLU 21 -25.091 25.827 7.945 300 HB2 GLU 21 HB2 GLU 21 -22.053 25.632 7.813 301 HB3 GLU 21 HB3 GLU 21 -22.974 26.898 8.613 302 HG2 GLU 21 HG2 GLU 21 -22.858 23.977 9.476 303 HG3 GLU 21 HG3 GLU 21 -22.017 25.322 10.220 304 HE2 GLU 21 HE2 GLU 21 -25.092 24.636 12.008 305 H ARG 22 H ARG 22 -24.379 24.919 4.914 306 HA ARG 22 HA ARG 22 -23.134 27.509 4.096 307 HB2 ARG 22 HB2 ARG 22 -21.681 26.292 2.636 308 HB3 ARG 22 HB3 ARG 22 -21.591 25.711 4.280 309 HG2 ARG 22 HG2 ARG 22 -21.514 23.743 3.050 310 HG3 ARG 22 HG3 ARG 22 -23.184 23.821 3.599 311 HD2 ARG 22 HD2 ARG 22 -23.046 23.052 1.293 312 HD3 ARG 22 HD3 ARG 22 -23.926 24.566 1.415 313 HE ARG 22 HE ARG 22 -21.016 24.567 0.729 314 HH11 ARG 22 HH11 ARG 22 -24.299 25.231 -0.378 315 HH12 ARG 22 HH12 ARG 22 -23.705 26.184 -1.716 316 HH21 ARG 22 HH21 ARG 22 -20.408 25.871 -1.028 317 HH22 ARG 22 HH22 ARG 22 -21.658 26.514 -2.051 318 H GLY 23 H GLY 23 -26.077 26.349 3.616 319 HA2 GLY 23 HA2 GLY 23 -27.709 27.169 2.137 320 HA3 GLY 23 HA3 GLY 23 -26.470 28.178 1.415 321 H PHE 24 H PHE 24 -28.167 27.428 -0.353 322 HA PHE 24 HA PHE 24 -27.630 24.836 -1.560 323 HB2 PHE 24 HB2 PHE 24 -29.102 26.281 -3.418 324 HB3 PHE 24 HB3 PHE 24 -29.708 25.205 -2.188 325 HD1 PHE 24 HD1 PHE 24 -31.158 25.982 -0.475 326 HD2 PHE 24 HD2 PHE 24 -28.900 28.816 -2.815 327 HE1 PHE 24 HE1 PHE 24 -32.364 27.845 0.619 328 HE2 PHE 24 HE2 PHE 24 -30.088 30.683 -1.684 329 HZ PHE 24 HZ PHE 24 -31.813 30.199 0.039 330 H PHE 25 H PHE 25 -26.702 28.194 -2.493 331 HA PHE 25 HA PHE 25 -25.792 27.267 -5.094 332 HB2 PHE 25 HB2 PHE 25 -25.137 29.738 -5.343 333 HB3 PHE 25 HB3 PHE 25 -26.819 29.276 -5.224 334 HD1 PHE 25 HD1 PHE 25 -28.073 30.915 -4.190 335 HD2 PHE 25 HD2 PHE 25 -24.135 30.050 -2.636 336 HE1 PHE 25 HE1 PHE 25 -28.424 32.553 -2.364 337 HE2 PHE 25 HE2 PHE 25 -24.503 31.679 -0.818 338 HZ PHE 25 HZ PHE 25 -26.645 32.934 -0.672 339 H TYR 26 H TYR 26 -23.671 28.053 -6.043 340 HA TYR 26 HA TYR 26 -21.761 26.343 -4.966 341 HB2 TYR 26 HB2 TYR 26 -21.239 28.657 -6.867 342 HB3 TYR 26 HB3 TYR 26 -20.250 27.216 -6.675 343 HD1 TYR 26 HD1 TYR 26 -22.021 24.963 -6.748 344 HD2 TYR 26 HD2 TYR 26 -22.306 28.654 -8.964 345 HE1 TYR 26 HE1 TYR 26 -23.349 23.808 -8.517 346 HE2 TYR 26 HE2 TYR 26 -23.596 27.484 -10.745 347 HH TYR 26 HH TYR 26 -24.832 25.447 -11.190 348 H THR 27 H THR 27 -21.702 29.944 -4.647 349 HA THR 27 HA THR 27 -19.698 29.701 -2.473 350 HB THR 27 HB THR 27 -18.372 31.526 -3.426 351 HG1 THR 27 HG1 THR 27 -19.709 32.682 -4.618 352 HG21 THR 27 HG21 THR 27 -18.707 29.427 -5.592 353 HG22 THR 27 HG22 THR 27 -17.298 30.453 -5.279 354 HG23 THR 27 HG23 THR 27 -17.754 29.202 -4.103 355 HA PRO 28 HA PRO 28 -21.928 33.499 -1.035 356 HB2 PRO 28 HB2 PRO 28 -19.908 34.816 0.246 357 HB3 PRO 28 HB3 PRO 28 -20.700 33.377 0.955 358 HG2 PRO 28 HG2 PRO 28 -18.121 33.464 -0.656 359 HG3 PRO 28 HG3 PRO 28 -18.386 32.721 0.957 360 HD2 PRO 28 HD2 PRO 28 -18.503 31.242 -1.301 361 HD3 PRO 28 HD3 PRO 28 -19.650 30.948 0.033 362 H LYS 29 H LYS 29 -21.310 35.953 -1.296 363 HA LYS 29 HA LYS 29 -19.677 36.549 -3.699 364 HB2 LYS 29 HB2 LYS 29 -21.939 36.180 -4.516 365 HB3 LYS 29 HB3 LYS 29 -22.625 37.262 -3.312 366 HG2 LYS 29 HG2 LYS 29 -20.587 38.332 -5.277 367 HG3 LYS 29 HG3 LYS 29 -22.232 38.009 -5.827 368 HD2 LYS 29 HD2 LYS 29 -23.170 39.550 -4.167 369 HD3 LYS 29 HD3 LYS 29 -21.570 39.835 -3.485 370 HE2 LYS 29 HE2 LYS 29 -20.957 40.466 -5.991 371 HE3 LYS 29 HE3 LYS 29 -22.706 40.754 -6.136 372 HZ1 LYS 29 HZ1 LYS 29 -20.777 41.955 -4.235 373 HZ2 LYS 29 HZ2 LYS 29 -21.491 42.773 -5.437 374 HZ3 LYS 29 HZ3 LYS 29 -22.351 42.254 -4.096 375 H ALA 30 H ALA 30 -18.591 38.440 -3.517 376 HA ALA 30 HA ALA 30 -19.029 40.243 -1.183 377 HB1 ALA 30 HB1 ALA 30 -16.689 40.012 -3.139 378 HB2 ALA 30 HB2 ALA 30 -16.805 41.135 -1.771 379 HB3 ALA 30 HB3 ALA 30 -16.709 39.390 -1.465 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -20.708 26.653 -11.116 2 H2 GLY 1 H2 GLY 1 -20.057 27.094 -9.657 3 H3 GLY 1 H3 GLY 1 -21.666 26.827 -9.793 4 HA2 GLY 1 HA2 GLY 1 -19.538 24.811 -10.033 5 HA3 GLY 1 HA3 GLY 1 -20.722 24.947 -8.715 6 H ILE 2 H ILE 2 -21.529 22.841 -9.116 7 HA ILE 2 HA ILE 2 -22.010 21.656 -11.543 8 HB ILE 2 HB ILE 2 -21.867 20.493 -9.421 9 HG12 ILE 2 HG12 ILE 2 -23.796 18.878 -9.626 10 HG13 ILE 2 HG13 ILE 2 -24.482 19.903 -10.878 11 HG21 ILE 2 HG21 ILE 2 -24.701 21.332 -8.704 12 HG22 ILE 2 HG22 ILE 2 -23.563 20.366 -7.766 13 HG23 ILE 2 HG23 ILE 2 -23.237 22.076 -7.998 14 HD11 ILE 2 HD11 ILE 2 -21.717 18.595 -10.964 15 HD12 ILE 2 HD12 ILE 2 -23.168 18.004 -11.794 16 HD13 ILE 2 HD13 ILE 2 -22.450 19.555 -12.269 17 H VAL 3 H VAL 3 -24.506 23.295 -9.658 18 HA VAL 3 HA VAL 3 -26.699 23.807 -10.186 19 HB VAL 3 HB VAL 3 -25.087 25.671 -11.941 20 HG11 VAL 3 HG11 VAL 3 -26.866 27.315 -11.361 21 HG12 VAL 3 HG12 VAL 3 -27.534 25.977 -12.288 22 HG13 VAL 3 HG13 VAL 3 -27.777 26.038 -10.533 23 HG21 VAL 3 HG21 VAL 3 -24.149 25.591 -9.673 24 HG22 VAL 3 HG22 VAL 3 -25.046 27.092 -9.893 25 HG23 VAL 3 HG23 VAL 3 -25.774 25.771 -8.967 26 H GLU 4 H GLU 4 -25.690 24.437 -13.545 27 HA GLU 4 HA GLU 4 -28.321 23.739 -14.323 28 HB2 GLU 4 HB2 GLU 4 -26.898 25.450 -15.432 29 HB3 GLU 4 HB3 GLU 4 -25.870 24.169 -16.077 30 HG2 GLU 4 HG2 GLU 4 -27.428 25.004 -17.778 31 HG3 GLU 4 HG3 GLU 4 -27.752 23.314 -17.439 32 HE2 GLU 4 HE2 GLU 4 -30.971 24.712 -17.478 33 H GLN 5 H GLN 5 -25.538 21.619 -14.042 34 HA GLN 5 HA GLN 5 -26.476 19.570 -15.870 35 HB2 GLN 5 HB2 GLN 5 -24.747 19.350 -13.372 36 HB3 GLN 5 HB3 GLN 5 -25.032 18.066 -14.554 37 HG2 GLN 5 HG2 GLN 5 -24.116 19.675 -16.336 38 HG3 GLN 5 HG3 GLN 5 -23.562 20.694 -15.005 39 HE21 GLN 5 HE21 GLN 5 -20.672 18.606 -15.836 40 HE22 GLN 5 HE22 GLN 5 -21.506 20.008 -16.508 41 H CYS 6 H CYS 6 -27.617 20.573 -12.714 42 HA CYS 6 HA CYS 6 -29.229 18.121 -12.346 43 HB2 CYS 6 HB2 CYS 6 -29.028 20.688 -10.735 44 HB3 CYS 6 HB3 CYS 6 -29.893 19.228 -10.274 45 H CYS 7 H CYS 7 -29.633 20.696 -14.365 46 HA CYS 7 HA CYS 7 -32.603 20.677 -14.022 47 HB2 CYS 7 HB2 CYS 7 -31.661 22.640 -12.940 48 HB3 CYS 7 HB3 CYS 7 -30.844 23.101 -14.432 49 H ALA 8 H ALA 8 -29.896 21.125 -16.317 50 HA ALA 8 HA ALA 8 -31.632 20.653 -18.650 51 HB1 ALA 8 HB1 ALA 8 -28.598 20.669 -18.297 52 HB2 ALA 8 HB2 ALA 8 -29.468 20.574 -19.843 53 HB3 ALA 8 HB3 ALA 8 -29.601 22.035 -18.852 54 H SER 9 H SER 9 -30.463 18.709 -16.144 55 HA SER 9 HA SER 9 -31.191 16.221 -17.446 56 HB2 SER 9 HB2 SER 9 -28.885 16.318 -18.179 57 HB3 SER 9 HB3 SER 9 -28.319 16.744 -16.561 58 HG SER 9 HG SER 9 -28.648 14.715 -15.871 59 H VAL 10 H VAL 10 -31.004 14.441 -15.747 60 HA VAL 10 HA VAL 10 -31.516 15.350 -12.979 61 HB VAL 10 HB VAL 10 -31.508 12.988 -12.374 62 HG11 VAL 10 HG11 VAL 10 -33.304 13.492 -14.774 63 HG12 VAL 10 HG12 VAL 10 -33.561 12.306 -13.476 64 HG13 VAL 10 HG13 VAL 10 -33.605 14.036 -13.112 65 HG21 VAL 10 HG21 VAL 10 -29.907 12.061 -14.015 66 HG22 VAL 10 HG22 VAL 10 -31.448 11.192 -14.045 67 HG23 VAL 10 HG23 VAL 10 -31.067 12.360 -15.323 68 H CYS 11 H CYS 11 -30.007 14.977 -11.268 69 HA CYS 11 HA CYS 11 -27.230 14.252 -12.072 70 HB2 CYS 11 HB2 CYS 11 -26.281 16.118 -11.019 71 HB3 CYS 11 HB3 CYS 11 -27.581 16.738 -12.017 72 H SER 12 H SER 12 -25.797 13.921 -10.176 73 HA SER 12 HA SER 12 -27.091 12.050 -8.271 74 HB2 SER 12 HB2 SER 12 -24.194 12.661 -8.969 75 HB3 SER 12 HB3 SER 12 -24.688 11.565 -7.674 76 HG SER 12 HG SER 12 -25.471 11.312 -10.399 77 H LEU 13 H LEU 13 -27.348 12.470 -6.131 78 HA LEU 13 HA LEU 13 -26.933 14.972 -4.899 79 HB2 LEU 13 HB2 LEU 13 -26.916 12.231 -3.572 80 HB3 LEU 13 HB3 LEU 13 -27.220 13.770 -2.780 81 HG LEU 13 HG LEU 13 -29.003 12.410 -4.847 82 HD11 LEU 13 HD11 LEU 13 -29.412 13.012 -1.890 83 HD12 LEU 13 HD12 LEU 13 -30.576 12.223 -2.969 84 HD13 LEU 13 HD13 LEU 13 -29.044 11.417 -2.586 85 HD21 LEU 13 HD21 LEU 13 -29.209 14.852 -5.145 86 HD22 LEU 13 HD22 LEU 13 -30.652 14.196 -4.372 87 HD23 LEU 13 HD23 LEU 13 -29.450 15.056 -3.393 88 H TYR 14 H TYR 14 -24.599 12.347 -5.324 89 HA TYR 14 HA TYR 14 -22.562 13.299 -3.602 90 HB2 TYR 14 HB2 TYR 14 -22.054 11.870 -6.211 91 HB3 TYR 14 HB3 TYR 14 -21.189 11.719 -4.685 92 HD1 TYR 14 HD1 TYR 14 -22.977 11.046 -2.631 93 HD2 TYR 14 HD2 TYR 14 -23.306 9.973 -6.802 94 HE1 TYR 14 HE1 TYR 14 -24.586 9.257 -2.042 95 HE2 TYR 14 HE2 TYR 14 -24.936 8.186 -6.204 96 HH TYR 14 HH TYR 14 -25.815 7.505 -2.823 97 H GLN 15 H GLN 15 -23.507 14.454 -6.837 98 HA GLN 15 HA GLN 15 -21.092 16.098 -7.186 99 HB2 GLN 15 HB2 GLN 15 -23.770 16.080 -8.614 100 HB3 GLN 15 HB3 GLN 15 -22.389 17.063 -9.082 101 HG2 GLN 15 HG2 GLN 15 -21.113 15.256 -9.823 102 HG3 GLN 15 HG3 GLN 15 -22.017 14.064 -8.903 103 HE21 GLN 15 HE21 GLN 15 -23.012 14.068 -12.588 104 HE22 GLN 15 HE22 GLN 15 -21.405 14.205 -11.884 105 H LEU 16 H LEU 16 -24.162 16.397 -5.531 106 HA LEU 16 HA LEU 16 -23.879 19.293 -5.062 107 HB2 LEU 16 HB2 LEU 16 -25.596 17.316 -3.521 108 HB3 LEU 16 HB3 LEU 16 -25.731 19.053 -3.549 109 HG LEU 16 HG LEU 16 -26.349 17.181 -5.870 110 HD11 LEU 16 HD11 LEU 16 -28.155 18.930 -4.151 111 HD12 LEU 16 HD12 LEU 16 -28.653 17.856 -5.479 112 HD13 LEU 16 HD13 LEU 16 -27.979 17.170 -3.992 113 HD21 LEU 16 HD21 LEU 16 -25.529 19.313 -6.762 114 HD22 LEU 16 HD22 LEU 16 -27.278 19.200 -6.970 115 HD23 LEU 16 HD23 LEU 16 -26.610 20.217 -5.671 116 H GLU 17 H GLU 17 -22.999 16.234 -3.399 117 HA GLU 17 HA GLU 17 -21.917 17.496 -1.083 118 HB2 GLU 17 HB2 GLU 17 -21.102 14.858 -2.358 119 HB3 GLU 17 HB3 GLU 17 -20.500 15.471 -0.819 120 HG2 GLU 17 HG2 GLU 17 -22.875 15.639 -0.009 121 HG3 GLU 17 HG3 GLU 17 -23.380 14.773 -1.477 122 HE2 GLU 17 HE2 GLU 17 -21.575 12.806 1.419 123 H ASN 18 H ASN 18 -20.523 17.225 -4.308 124 HA ASN 18 HA ASN 18 -17.913 18.175 -3.623 125 HB2 ASN 18 HB2 ASN 18 -18.999 17.173 -5.856 126 HB3 ASN 18 HB3 ASN 18 -19.254 18.875 -6.238 127 HD21 ASN 18 HD21 ASN 18 -15.469 19.186 -6.090 128 HD22 ASN 18 HD22 ASN 18 -16.770 19.942 -5.152 129 H TYR 19 H TYR 19 -20.857 19.794 -3.206 130 HA TYR 19 HA TYR 19 -19.477 22.399 -2.927 131 HB2 TYR 19 HB2 TYR 19 -22.155 21.859 -4.252 132 HB3 TYR 19 HB3 TYR 19 -21.694 23.448 -3.657 133 HD1 TYR 19 HD1 TYR 19 -19.600 24.553 -4.464 134 HD2 TYR 19 HD2 TYR 19 -21.244 21.062 -6.384 135 HE1 TYR 19 HE1 TYR 19 -18.162 24.978 -6.449 136 HE2 TYR 19 HE2 TYR 19 -19.801 21.488 -8.384 137 HH TYR 19 HH TYR 19 -17.193 23.638 -8.327 138 H CYS 20 H CYS 20 -20.420 20.081 -1.047 139 HA CYS 20 HA CYS 20 -21.771 21.719 1.015 140 HB2 CYS 20 HB2 CYS 20 -20.157 19.158 1.257 141 HB3 CYS 20 HB3 CYS 20 -21.054 19.945 2.547 142 H ASN 21 H ASN 21 -20.453 22.075 3.069 143 HA ASN 21 HA ASN 21 -17.522 22.161 2.623 144 HB2 ASN 21 HB2 ASN 21 -17.354 24.158 4.081 145 HB3 ASN 21 HB3 ASN 21 -18.186 24.470 2.555 146 HD21 ASN 21 HD21 ASN 21 -20.323 24.553 6.068 147 HD22 ASN 21 HD22 ASN 21 -18.892 23.529 5.863 148 H1 PHE 1 H1 PHE 1 -30.141 4.349 -2.958 149 H2 PHE 1 H2 PHE 1 -29.633 3.925 -4.474 150 H3 PHE 1 H3 PHE 1 -31.235 3.997 -4.151 151 HA PHE 1 HA PHE 1 -31.159 6.356 -3.861 152 HB2 PHE 1 HB2 PHE 1 -28.205 6.051 -4.531 153 HB3 PHE 1 HB3 PHE 1 -29.064 7.573 -4.309 154 HD1 PHE 1 HD1 PHE 1 -30.021 8.173 -2.041 155 HD2 PHE 1 HD2 PHE 1 -27.357 4.811 -2.623 156 HE1 PHE 1 HE1 PHE 1 -29.622 8.051 0.401 157 HE2 PHE 1 HE2 PHE 1 -26.989 4.695 -0.175 158 HZ PHE 1 HZ PHE 1 -28.119 6.310 1.336 159 H VAL 2 H VAL 2 -31.143 7.878 -5.727 160 HA VAL 2 HA VAL 2 -30.513 6.885 -8.394 161 HB VAL 2 HB VAL 2 -32.900 7.706 -9.121 162 HG11 VAL 2 HG11 VAL 2 -32.552 4.915 -7.972 163 HG12 VAL 2 HG12 VAL 2 -33.705 5.433 -9.216 164 HG13 VAL 2 HG13 VAL 2 -31.971 5.467 -9.559 165 HG21 VAL 2 HG21 VAL 2 -33.689 8.240 -6.775 166 HG22 VAL 2 HG22 VAL 2 -34.734 7.147 -7.691 167 HG23 VAL 2 HG23 VAL 2 -33.670 6.497 -6.433 168 H ASN 3 H ASN 3 -30.723 8.674 -9.986 169 HA ASN 3 HA ASN 3 -29.801 11.207 -8.814 170 HB2 ASN 3 HB2 ASN 3 -30.062 10.116 -11.643 171 HB3 ASN 3 HB3 ASN 3 -29.739 11.818 -11.333 172 HD21 ASN 3 HD21 ASN 3 -26.715 9.647 -9.780 173 HD22 ASN 3 HD22 ASN 3 -28.368 9.226 -9.282 174 H GLN 4 H GLN 4 -30.729 13.273 -9.396 175 HA GLN 4 HA GLN 4 -33.728 13.208 -9.440 176 HB2 GLN 4 HB2 GLN 4 -31.956 14.891 -7.621 177 HB3 GLN 4 HB3 GLN 4 -33.717 14.862 -7.641 178 HG2 GLN 4 HG2 GLN 4 -31.853 12.615 -6.767 179 HG3 GLN 4 HG3 GLN 4 -32.888 13.595 -5.736 180 HE21 GLN 4 HE21 GLN 4 -34.455 10.261 -7.014 181 HE22 GLN 4 HE22 GLN 4 -32.724 10.552 -6.746 182 H HIS 5 H HIS 5 -34.772 15.056 -10.245 183 HA HIS 5 HA HIS 5 -33.126 16.980 -11.833 184 HB2 HIS 5 HB2 HIS 5 -35.064 15.808 -12.950 185 HB3 HIS 5 HB3 HIS 5 -36.146 16.581 -11.795 186 HD2 HIS 5 HD2 HIS 5 -33.365 17.784 -14.289 187 HE1 HIS 5 HE1 HIS 5 -36.710 20.384 -14.698 188 HE2 HIS 5 HE2 HIS 5 -34.367 19.853 -15.564 189 H LEU 6 H LEU 6 -32.846 18.995 -11.088 190 HA LEU 6 HA LEU 6 -34.342 20.010 -8.732 191 HB2 LEU 6 HB2 LEU 6 -31.348 19.512 -8.811 192 HB3 LEU 6 HB3 LEU 6 -32.200 20.340 -7.525 193 HG LEU 6 HG LEU 6 -32.672 17.402 -8.227 194 HD11 LEU 6 HD11 LEU 6 -30.842 18.696 -6.199 195 HD12 LEU 6 HD12 LEU 6 -31.279 16.969 -6.219 196 HD13 LEU 6 HD13 LEU 6 -30.381 17.675 -7.574 197 HD21 LEU 6 HD21 LEU 6 -34.534 18.452 -6.978 198 HD22 LEU 6 HD22 LEU 6 -33.640 17.338 -5.943 199 HD23 LEU 6 HD23 LEU 6 -33.389 19.092 -5.786 200 H CYS 7 H CYS 7 -34.986 21.373 -10.671 201 HA CYS 7 HA CYS 7 -33.126 23.567 -11.299 202 HB2 CYS 7 HB2 CYS 7 -36.099 23.251 -11.768 203 HB3 CYS 7 HB3 CYS 7 -35.131 24.599 -12.350 204 H GLY 8 H GLY 8 -33.191 25.655 -10.461 205 HA2 GLY 8 HA2 GLY 8 -33.739 27.456 -9.128 206 HA3 GLY 8 HA3 GLY 8 -35.370 26.791 -9.098 207 H SER 9 H SER 9 -36.073 26.876 -7.037 208 HA SER 9 HA SER 9 -34.435 26.980 -4.708 209 HB2 SER 9 HB2 SER 9 -36.633 26.636 -3.532 210 HB3 SER 9 HB3 SER 9 -36.613 27.979 -4.692 211 HG SER 9 HG SER 9 -38.416 26.281 -4.718 212 H HIS 10 H HIS 10 -35.955 24.203 -6.368 213 HA HIS 10 HA HIS 10 -35.665 22.286 -4.300 214 HB2 HIS 10 HB2 HIS 10 -35.389 21.817 -7.285 215 HB3 HIS 10 HB3 HIS 10 -35.798 20.621 -6.054 216 HD2 HIS 10 HD2 HIS 10 -37.499 22.461 -8.619 217 HE1 HIS 10 HE1 HIS 10 -40.431 22.269 -5.529 218 HE2 HIS 10 HE2 HIS 10 -40.049 22.733 -8.006 219 H LEU 11 H LEU 11 -33.194 23.639 -6.462 220 HA LEU 11 HA LEU 11 -31.215 21.609 -5.937 221 HB2 LEU 11 HB2 LEU 11 -31.227 23.199 -7.887 222 HB3 LEU 11 HB3 LEU 11 -30.855 24.513 -6.785 223 HG LEU 11 HG LEU 11 -28.697 23.446 -6.202 224 HD11 LEU 11 HD11 LEU 11 -29.517 21.367 -8.284 225 HD12 LEU 11 HD12 LEU 11 -27.864 21.573 -7.666 226 HD13 LEU 11 HD13 LEU 11 -29.154 21.072 -6.570 227 HD21 LEU 11 HD21 LEU 11 -28.973 25.043 -8.147 228 HD22 LEU 11 HD22 LEU 11 -27.578 23.948 -8.239 229 HD23 LEU 11 HD23 LEU 11 -29.039 23.628 -9.214 230 H VAL 12 H VAL 12 -31.828 24.812 -4.414 231 HA VAL 12 HA VAL 12 -29.592 24.452 -2.554 232 HB VAL 12 HB VAL 12 -30.518 26.410 -1.341 233 HG11 VAL 12 HG11 VAL 12 -30.018 26.781 -4.323 234 HG12 VAL 12 HG12 VAL 12 -29.825 28.013 -3.056 235 HG13 VAL 12 HG13 VAL 12 -28.776 26.590 -3.068 236 HG21 VAL 12 HG21 VAL 12 -32.910 26.234 -2.004 237 HG22 VAL 12 HG22 VAL 12 -32.212 27.811 -2.398 238 HG23 VAL 12 HG23 VAL 12 -32.451 26.615 -3.684 239 H GLU 13 H GLU 13 -33.092 23.740 -2.432 240 HA GLU 13 HA GLU 13 -33.063 22.883 0.308 241 HB2 GLU 13 HB2 GLU 13 -35.137 23.302 -0.945 242 HB3 GLU 13 HB3 GLU 13 -34.758 21.990 -2.059 243 HG2 GLU 13 HG2 GLU 13 -36.434 21.247 -0.479 244 HG3 GLU 13 HG3 GLU 13 -34.957 20.335 -0.217 245 HE2 GLU 13 HE2 GLU 13 -35.981 21.167 3.043 246 H ALA 14 H ALA 14 -32.350 21.050 -2.751 247 HA ALA 14 HA ALA 14 -31.782 18.595 -1.420 248 HB1 ALA 14 HB1 ALA 14 -30.768 19.695 -4.069 249 HB2 ALA 14 HB2 ALA 14 -30.678 17.998 -3.541 250 HB3 ALA 14 HB3 ALA 14 -32.257 18.757 -3.805 251 H LEU 15 H LEU 15 -29.565 21.325 -2.277 252 HA LEU 15 HA LEU 15 -27.180 20.152 -1.192 253 HB2 LEU 15 HB2 LEU 15 -28.145 23.004 -1.556 254 HB3 LEU 15 HB3 LEU 15 -26.602 22.657 -0.799 255 HG LEU 15 HG LEU 15 -27.196 21.450 -3.506 256 HD11 LEU 15 HD11 LEU 15 -26.118 24.248 -2.983 257 HD12 LEU 15 HD12 LEU 15 -26.127 23.413 -4.558 258 HD13 LEU 15 HD13 LEU 15 -27.660 23.839 -3.777 259 HD21 LEU 15 HD21 LEU 15 -25.145 20.789 -2.157 260 HD22 LEU 15 HD22 LEU 15 -24.766 21.521 -3.725 261 HD23 LEU 15 HD23 LEU 15 -24.608 22.467 -2.233 262 H TYR 16 H TYR 16 -29.716 22.156 0.442 263 HA TYR 16 HA TYR 16 -28.531 22.072 3.004 264 HB2 TYR 16 HB2 TYR 16 -30.383 23.564 2.416 265 HB3 TYR 16 HB3 TYR 16 -31.448 22.198 2.177 266 HD1 TYR 16 HD1 TYR 16 -29.045 23.020 4.987 267 HD2 TYR 16 HD2 TYR 16 -33.128 22.305 3.776 268 HE1 TYR 16 HE1 TYR 16 -29.764 23.147 7.353 269 HE2 TYR 16 HE2 TYR 16 -33.843 22.438 6.164 270 HH TYR 16 HH TYR 16 -31.549 23.141 8.791 271 H LEU 17 H LEU 17 -30.907 19.757 1.607 272 HA LEU 17 HA LEU 17 -30.973 18.012 3.883 273 HB2 LEU 17 HB2 LEU 17 -31.545 17.566 0.923 274 HB3 LEU 17 HB3 LEU 17 -31.899 16.371 2.166 275 HG LEU 17 HG LEU 17 -33.109 19.173 2.199 276 HD11 LEU 17 HD11 LEU 17 -34.275 16.573 1.123 277 HD12 LEU 17 HD12 LEU 17 -35.130 18.123 1.279 278 HD13 LEU 17 HD13 LEU 17 -33.776 17.976 0.145 279 HD21 LEU 17 HD21 LEU 17 -33.147 18.048 4.377 280 HD22 LEU 17 HD22 LEU 17 -34.767 18.132 3.681 281 HD23 LEU 17 HD23 LEU 17 -33.868 16.602 3.634 282 H VAL 18 H VAL 18 -28.807 18.053 1.072 283 HA VAL 18 HA VAL 18 -27.561 15.490 1.741 284 HB VAL 18 HB VAL 18 -27.057 17.651 -0.334 285 HG11 VAL 18 HG11 VAL 18 -25.466 15.098 0.062 286 HG12 VAL 18 HG12 VAL 18 -25.476 16.078 -1.427 287 HG13 VAL 18 HG13 VAL 18 -24.865 16.780 0.068 288 HG21 VAL 18 HG21 VAL 18 -29.018 16.074 -0.604 289 HG22 VAL 18 HG22 VAL 18 -27.808 15.922 -1.879 290 HG23 VAL 18 HG23 VAL 18 -27.884 14.713 -0.569 291 H CYS 19 H CYS 19 -26.730 18.912 2.309 292 HA CYS 19 HA CYS 19 -24.114 18.131 3.389 293 HB2 CYS 19 HB2 CYS 19 -25.334 20.858 3.027 294 HB3 CYS 19 HB3 CYS 19 -23.662 20.488 3.469 295 H GLY 20 H GLY 20 -27.221 19.356 4.689 296 HA2 GLY 20 HA2 GLY 20 -28.016 19.482 6.821 297 HA3 GLY 20 HA3 GLY 20 -26.874 18.198 7.218 298 H GLU 21 H GLU 21 -25.854 18.767 9.030 299 HA GLU 21 HA GLU 21 -25.603 21.287 10.214 300 HB2 GLU 21 HB2 GLU 21 -23.980 18.735 10.514 301 HB3 GLU 21 HB3 GLU 21 -23.789 20.099 11.598 302 HG2 GLU 21 HG2 GLU 21 -26.522 18.809 11.223 303 HG3 GLU 21 HG3 GLU 21 -25.314 18.135 12.307 304 HE2 GLU 21 HE2 GLU 21 -26.979 20.177 14.535 305 H ARG 22 H ARG 22 -23.709 20.305 7.519 306 HA ARG 22 HA ARG 22 -21.278 21.854 8.156 307 HB2 ARG 22 HB2 ARG 22 -22.388 20.524 5.649 308 HB3 ARG 22 HB3 ARG 22 -20.913 21.490 5.630 309 HG2 ARG 22 HG2 ARG 22 -19.744 20.035 7.065 310 HG3 ARG 22 HG3 ARG 22 -21.199 19.170 7.580 311 HD2 ARG 22 HD2 ARG 22 -20.303 19.190 4.686 312 HD3 ARG 22 HD3 ARG 22 -19.635 18.038 5.855 313 HE ARG 22 HE ARG 22 -22.521 18.028 5.916 314 HH11 ARG 22 HH11 ARG 22 -19.970 17.080 3.763 315 HH12 ARG 22 HH12 ARG 22 -20.928 15.827 2.989 316 HH21 ARG 22 HH21 ARG 22 -23.688 16.465 4.978 317 HH22 ARG 22 HH22 ARG 22 -23.102 15.580 3.619 318 H GLY 23 H GLY 23 -24.194 22.416 6.193 319 HA2 GLY 23 HA2 GLY 23 -24.836 24.486 5.120 320 HA3 GLY 23 HA3 GLY 23 -23.279 25.192 5.556 321 H PHE 24 H PHE 24 -23.593 25.731 3.110 322 HA PHE 24 HA PHE 24 -22.018 23.896 1.501 323 HB2 PHE 24 HB2 PHE 24 -23.753 23.610 -0.256 324 HB3 PHE 24 HB3 PHE 24 -24.137 22.810 1.247 325 HD1 PHE 24 HD1 PHE 24 -26.055 23.457 2.593 326 HD2 PHE 24 HD2 PHE 24 -25.048 25.587 -1.010 327 HE1 PHE 24 HE1 PHE 24 -28.303 24.514 2.587 328 HE2 PHE 24 HE2 PHE 24 -27.326 26.600 -1.044 329 HZ PHE 24 HZ PHE 24 -28.956 26.047 0.751 330 H PHE 25 H PHE 25 -21.148 24.740 -0.317 331 HA PHE 25 HA PHE 25 -21.156 27.696 -0.581 332 HB2 PHE 25 HB2 PHE 25 -19.442 25.500 -1.794 333 HB3 PHE 25 HB3 PHE 25 -19.283 27.207 -2.171 334 HD1 PHE 25 HD1 PHE 25 -16.894 26.179 -1.555 335 HD2 PHE 25 HD2 PHE 25 -19.944 27.214 1.327 336 HE1 PHE 25 HE1 PHE 25 -15.163 26.464 0.196 337 HE2 PHE 25 HE2 PHE 25 -18.219 27.489 3.048 338 HZ PHE 25 HZ PHE 25 -15.821 27.124 2.501 339 H TYR 26 H TYR 26 -23.347 27.865 -1.434 340 HA TYR 26 HA TYR 26 -23.991 26.708 -4.002 341 HB2 TYR 26 HB2 TYR 26 -25.732 27.636 -2.503 342 HB3 TYR 26 HB3 TYR 26 -25.125 29.264 -2.819 343 HD1 TYR 26 HD1 TYR 26 -26.605 26.224 -4.380 344 HD2 TYR 26 HD2 TYR 26 -25.677 30.399 -4.914 345 HE1 TYR 26 HE1 TYR 26 -27.850 26.217 -6.522 346 HE2 TYR 26 HE2 TYR 26 -26.929 30.389 -7.080 347 HH TYR 26 HH TYR 26 -28.759 27.584 -8.182 348 H THR 27 H THR 27 -23.238 27.176 -5.952 349 HA THR 27 HA THR 27 -21.691 29.704 -6.382 350 HB THR 27 HB THR 27 -20.179 28.282 -7.804 351 HG1 THR 27 HG1 THR 27 -21.008 26.197 -6.131 352 HG21 THR 27 HG21 THR 27 -20.176 27.849 -4.796 353 HG22 THR 27 HG22 THR 27 -18.815 27.525 -5.891 354 HG23 THR 27 HG23 THR 27 -19.417 29.179 -5.681 355 HA PRO 28 HA PRO 28 -24.619 29.545 -9.935 356 HB2 PRO 28 HB2 PRO 28 -25.029 32.224 -10.225 357 HB3 PRO 28 HB3 PRO 28 -25.744 31.293 -8.891 358 HG2 PRO 28 HG2 PRO 28 -23.183 32.925 -8.838 359 HG3 PRO 28 HG3 PRO 28 -24.581 33.029 -7.715 360 HD2 PRO 28 HD2 PRO 28 -22.366 31.544 -7.160 361 HD3 PRO 28 HD3 PRO 28 -23.995 31.011 -6.654 362 H LYS 29 H LYS 29 -24.459 31.330 -11.949 363 HA LYS 29 HA LYS 29 -21.775 32.138 -12.721 364 HB2 LYS 29 HB2 LYS 29 -22.142 29.780 -13.745 365 HB3 LYS 29 HB3 LYS 29 -23.471 30.493 -14.655 366 HG2 LYS 29 HG2 LYS 29 -21.547 32.230 -15.410 367 HG3 LYS 29 HG3 LYS 29 -20.492 30.931 -14.894 368 HD2 LYS 29 HD2 LYS 29 -20.783 30.573 -17.218 369 HD3 LYS 29 HD3 LYS 29 -21.846 29.394 -16.449 370 HE2 LYS 29 HE2 LYS 29 -23.239 30.266 -18.126 371 HE3 LYS 29 HE3 LYS 29 -23.704 31.222 -16.713 372 HZ1 LYS 29 HZ1 LYS 29 -22.094 32.160 -19.024 373 HZ2 LYS 29 HZ2 LYS 29 -23.399 32.859 -18.240 374 HZ3 LYS 29 HZ3 LYS 29 -22.036 32.921 -17.550 375 H ALA 30 H ALA 30 -21.976 34.038 -14.007 376 HA ALA 30 HA ALA 30 -24.686 34.924 -14.891 377 HB1 ALA 30 HB1 ALA 30 -22.061 36.478 -14.695 378 HB2 ALA 30 HB2 ALA 30 -23.611 37.105 -15.284 379 HB3 ALA 30 HB3 ALA 30 -23.444 36.637 -13.581 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -18.511 24.175 -10.465 2 H2 GLY 1 H2 GLY 1 -18.169 25.725 -10.021 3 H3 GLY 1 H3 GLY 1 -18.794 25.409 -11.522 4 HA2 GLY 1 HA2 GLY 1 -20.208 24.879 -9.014 5 HA3 GLY 1 HA3 GLY 1 -20.466 26.329 -10.015 6 H ILE 2 H ILE 2 -21.877 23.530 -9.299 7 HA ILE 2 HA ILE 2 -22.212 22.210 -11.803 8 HB ILE 2 HB ILE 2 -22.243 21.193 -9.553 9 HG12 ILE 2 HG12 ILE 2 -24.081 19.601 -9.763 10 HG13 ILE 2 HG13 ILE 2 -24.815 20.558 -11.041 11 HG21 ILE 2 HG21 ILE 2 -25.026 22.390 -9.208 12 HG22 ILE 2 HG22 ILE 2 -24.193 21.291 -8.097 13 HG23 ILE 2 HG23 ILE 2 -23.567 22.918 -8.332 14 HD11 ILE 2 HD11 ILE 2 -22.794 20.187 -12.454 15 HD12 ILE 2 HD12 ILE 2 -22.045 19.266 -11.130 16 HD13 ILE 2 HD13 ILE 2 -23.507 18.657 -11.927 17 H VAL 3 H VAL 3 -23.638 25.024 -10.801 18 HA VAL 3 HA VAL 3 -25.959 25.650 -10.763 19 HB VAL 3 HB VAL 3 -24.697 26.558 -13.365 20 HG11 VAL 3 HG11 VAL 3 -26.033 28.626 -12.966 21 HG12 VAL 3 HG12 VAL 3 -27.076 27.226 -13.210 22 HG13 VAL 3 HG13 VAL 3 -26.807 27.849 -11.571 23 HG21 VAL 3 HG21 VAL 3 -23.139 26.973 -11.525 24 HG22 VAL 3 HG22 VAL 3 -23.888 28.484 -12.011 25 HG23 VAL 3 HG23 VAL 3 -24.445 27.670 -10.535 26 H GLU 4 H GLU 4 -25.550 24.721 -14.208 27 HA GLU 4 HA GLU 4 -28.464 24.380 -14.303 28 HB2 GLU 4 HB2 GLU 4 -27.407 25.812 -15.929 29 HB3 GLU 4 HB3 GLU 4 -26.299 24.540 -16.431 30 HG2 GLU 4 HG2 GLU 4 -28.078 24.948 -18.087 31 HG3 GLU 4 HG3 GLU 4 -28.091 23.296 -17.501 32 HE2 GLU 4 HE2 GLU 4 -31.488 24.045 -17.408 33 H GLN 5 H GLN 5 -25.765 22.104 -14.107 34 HA GLN 5 HA GLN 5 -26.819 20.247 -16.031 35 HB2 GLN 5 HB2 GLN 5 -24.745 20.044 -13.851 36 HB3 GLN 5 HB3 GLN 5 -25.230 18.609 -14.769 37 HG2 GLN 5 HG2 GLN 5 -24.601 19.592 -16.869 38 HG3 GLN 5 HG3 GLN 5 -24.376 21.188 -16.150 39 HE21 GLN 5 HE21 GLN 5 -21.220 18.757 -16.217 40 HE22 GLN 5 HE22 GLN 5 -22.703 18.324 -17.065 41 H CYS 6 H CYS 6 -27.381 20.418 -12.514 42 HA CYS 6 HA CYS 6 -29.050 18.073 -12.366 43 HB2 CYS 6 HB2 CYS 6 -29.033 20.614 -10.692 44 HB3 CYS 6 HB3 CYS 6 -29.815 19.094 -10.270 45 H CYS 7 H CYS 7 -29.712 21.099 -13.882 46 HA CYS 7 HA CYS 7 -32.659 20.676 -13.664 47 HB2 CYS 7 HB2 CYS 7 -31.805 22.777 -12.759 48 HB3 CYS 7 HB3 CYS 7 -31.062 23.165 -14.307 49 H ALA 8 H ALA 8 -29.951 20.662 -15.892 50 HA ALA 8 HA ALA 8 -31.629 20.377 -18.282 51 HB1 ALA 8 HB1 ALA 8 -28.675 19.816 -17.760 52 HB2 ALA 8 HB2 ALA 8 -29.472 19.838 -19.351 53 HB3 ALA 8 HB3 ALA 8 -29.363 21.330 -18.397 54 H SER 9 H SER 9 -30.207 18.161 -15.852 55 HA SER 9 HA SER 9 -31.944 16.012 -16.758 56 HB2 SER 9 HB2 SER 9 -29.989 15.837 -18.324 57 HB3 SER 9 HB3 SER 9 -28.938 15.573 -16.920 58 HG SER 9 HG SER 9 -29.801 13.659 -18.051 59 H VAL 10 H VAL 10 -31.101 13.913 -15.369 60 HA VAL 10 HA VAL 10 -31.304 14.768 -12.573 61 HB VAL 10 HB VAL 10 -31.192 12.372 -12.007 62 HG11 VAL 10 HG11 VAL 10 -33.266 13.063 -14.119 63 HG12 VAL 10 HG12 VAL 10 -33.395 11.787 -12.889 64 HG13 VAL 10 HG13 VAL 10 -33.340 13.480 -12.394 65 HG21 VAL 10 HG21 VAL 10 -29.873 11.441 -13.870 66 HG22 VAL 10 HG22 VAL 10 -31.445 10.649 -13.746 67 HG23 VAL 10 HG23 VAL 10 -31.163 11.861 -15.011 68 H CYS 11 H CYS 11 -29.707 15.136 -11.185 69 HA CYS 11 HA CYS 11 -26.940 14.286 -11.922 70 HB2 CYS 11 HB2 CYS 11 -26.093 16.183 -10.859 71 HB3 CYS 11 HB3 CYS 11 -27.413 16.721 -11.875 72 H SER 12 H SER 12 -25.512 13.619 -10.274 73 HA SER 12 HA SER 12 -26.791 11.821 -8.357 74 HB2 SER 12 HB2 SER 12 -23.828 12.298 -8.341 75 HB3 SER 12 HB3 SER 12 -24.744 10.803 -8.110 76 HG SER 12 HG SER 12 -25.307 11.080 -10.445 77 H LEU 13 H LEU 13 -26.598 11.873 -6.063 78 HA LEU 13 HA LEU 13 -26.508 14.373 -4.735 79 HB2 LEU 13 HB2 LEU 13 -25.753 11.685 -3.530 80 HB3 LEU 13 HB3 LEU 13 -26.332 13.111 -2.675 81 HG LEU 13 HG LEU 13 -27.941 11.376 -4.602 82 HD11 LEU 13 HD11 LEU 13 -28.178 11.816 -1.602 83 HD12 LEU 13 HD12 LEU 13 -29.233 10.794 -2.599 84 HD13 LEU 13 HD13 LEU 13 -27.523 10.366 -2.391 85 HD21 LEU 13 HD21 LEU 13 -28.738 13.705 -4.787 86 HD22 LEU 13 HD22 LEU 13 -29.908 12.714 -3.909 87 HD23 LEU 13 HD23 LEU 13 -28.847 13.817 -3.018 88 H TYR 14 H TYR 14 -23.838 12.196 -5.551 89 HA TYR 14 HA TYR 14 -21.736 13.394 -4.159 90 HB2 TYR 14 HB2 TYR 14 -21.303 12.434 -6.963 91 HB3 TYR 14 HB3 TYR 14 -20.347 12.143 -5.523 92 HD1 TYR 14 HD1 TYR 14 -22.107 10.870 -3.606 93 HD2 TYR 14 HD2 TYR 14 -22.046 10.449 -7.902 94 HE1 TYR 14 HE1 TYR 14 -23.268 8.678 -3.411 95 HE2 TYR 14 HE2 TYR 14 -23.226 8.267 -7.701 96 HH TYR 14 HH TYR 14 -23.705 6.653 -4.672 97 H GLN 15 H GLN 15 -23.335 14.528 -7.126 98 HA GLN 15 HA GLN 15 -21.284 16.483 -7.840 99 HB2 GLN 15 HB2 GLN 15 -24.166 16.257 -8.804 100 HB3 GLN 15 HB3 GLN 15 -22.860 17.176 -9.548 101 HG2 GLN 15 HG2 GLN 15 -21.646 15.073 -10.068 102 HG3 GLN 15 HG3 GLN 15 -22.923 14.138 -9.290 103 HE21 GLN 15 HE21 GLN 15 -24.286 13.830 -12.536 104 HE22 GLN 15 HE22 GLN 15 -23.675 12.965 -11.126 105 H LEU 16 H LEU 16 -24.150 16.417 -5.819 106 HA LEU 16 HA LEU 16 -24.143 19.310 -5.261 107 HB2 LEU 16 HB2 LEU 16 -25.433 17.051 -3.682 108 HB3 LEU 16 HB3 LEU 16 -25.768 18.763 -3.538 109 HG LEU 16 HG LEU 16 -26.389 17.048 -5.987 110 HD11 LEU 16 HD11 LEU 16 -28.211 18.219 -3.852 111 HD12 LEU 16 HD12 LEU 16 -28.712 17.295 -5.287 112 HD13 LEU 16 HD13 LEU 16 -27.765 16.505 -4.020 113 HD21 LEU 16 HD21 LEU 16 -26.005 19.401 -6.633 114 HD22 LEU 16 HD22 LEU 16 -27.721 18.993 -6.733 115 HD23 LEU 16 HD23 LEU 16 -27.121 19.945 -5.356 116 H GLU 17 H GLU 17 -22.879 16.320 -3.731 117 HA GLU 17 HA GLU 17 -21.804 17.598 -1.431 118 HB2 GLU 17 HB2 GLU 17 -21.099 14.982 -2.770 119 HB3 GLU 17 HB3 GLU 17 -20.391 15.502 -1.238 120 HG2 GLU 17 HG2 GLU 17 -22.520 15.537 -0.130 121 HG3 GLU 17 HG3 GLU 17 -23.400 15.301 -1.634 122 HE2 GLU 17 HE2 GLU 17 -22.063 12.174 0.264 123 H ASN 18 H ASN 18 -20.531 17.695 -4.642 124 HA ASN 18 HA ASN 18 -17.869 18.570 -4.101 125 HB2 ASN 18 HB2 ASN 18 -18.850 18.089 -6.338 126 HB3 ASN 18 HB3 ASN 18 -19.911 19.480 -6.186 127 HD21 ASN 18 HD21 ASN 18 -16.177 20.955 -6.548 128 HD22 ASN 18 HD22 ASN 18 -16.830 20.424 -5.006 129 H TYR 19 H TYR 19 -20.918 20.085 -3.271 130 HA TYR 19 HA TYR 19 -19.508 22.550 -2.390 131 HB2 TYR 19 HB2 TYR 19 -22.360 22.378 -3.404 132 HB3 TYR 19 HB3 TYR 19 -21.457 23.830 -2.977 133 HD1 TYR 19 HD1 TYR 19 -19.454 24.519 -4.361 134 HD2 TYR 19 HD2 TYR 19 -22.053 21.298 -5.549 135 HE1 TYR 19 HE1 TYR 19 -18.378 24.477 -6.609 136 HE2 TYR 19 HE2 TYR 19 -20.953 21.225 -7.769 137 HH TYR 19 HH TYR 19 -18.606 21.872 -8.573 138 H CYS 20 H CYS 20 -20.413 19.886 -1.019 139 HA CYS 20 HA CYS 20 -21.597 21.157 1.403 140 HB2 CYS 20 HB2 CYS 20 -20.485 18.357 1.024 141 HB3 CYS 20 HB3 CYS 20 -21.248 18.998 2.468 142 H ASN 21 H ASN 21 -20.287 21.005 3.368 143 HA ASN 21 HA ASN 21 -17.369 20.649 3.026 144 HB2 ASN 21 HB2 ASN 21 -17.080 22.628 4.635 145 HB3 ASN 21 HB3 ASN 21 -17.521 23.009 2.970 146 HD21 ASN 21 HD21 ASN 21 -20.299 23.645 5.928 147 HD22 ASN 21 HD22 ASN 21 -19.069 22.353 6.067 148 H1 PHE 1 H1 PHE 1 -31.388 4.249 -2.574 149 H2 PHE 1 H2 PHE 1 -30.671 3.818 -4.002 150 H3 PHE 1 H3 PHE 1 -32.297 3.960 -3.927 151 HA PHE 1 HA PHE 1 -32.175 6.308 -3.602 152 HB2 PHE 1 HB2 PHE 1 -29.167 5.970 -3.868 153 HB3 PHE 1 HB3 PHE 1 -30.048 7.472 -3.601 154 HD1 PHE 1 HD1 PHE 1 -31.424 7.709 -1.404 155 HD2 PHE 1 HD2 PHE 1 -28.373 4.697 -2.009 156 HE1 PHE 1 HE1 PHE 1 -31.283 7.340 1.043 157 HE2 PHE 1 HE2 PHE 1 -28.251 4.348 0.441 158 HZ PHE 1 HZ PHE 1 -29.704 5.663 1.964 159 H VAL 2 H VAL 2 -31.647 7.876 -5.440 160 HA VAL 2 HA VAL 2 -30.727 6.724 -7.967 161 HB VAL 2 HB VAL 2 -32.625 7.573 -9.251 162 HG11 VAL 2 HG11 VAL 2 -33.598 5.556 -7.198 163 HG12 VAL 2 HG12 VAL 2 -34.181 5.789 -8.853 164 HG13 VAL 2 HG13 VAL 2 -32.543 5.179 -8.580 165 HG21 VAL 2 HG21 VAL 2 -33.564 9.259 -7.752 166 HG22 VAL 2 HG22 VAL 2 -34.788 8.081 -8.192 167 HG23 VAL 2 HG23 VAL 2 -34.047 7.998 -6.585 168 H ASN 3 H ASN 3 -30.740 8.674 -9.642 169 HA ASN 3 HA ASN 3 -29.493 11.048 -8.362 170 HB2 ASN 3 HB2 ASN 3 -29.765 10.080 -11.236 171 HB3 ASN 3 HB3 ASN 3 -29.171 11.677 -10.827 172 HD21 ASN 3 HD21 ASN 3 -26.643 8.798 -9.427 173 HD22 ASN 3 HD22 ASN 3 -28.325 8.794 -8.880 174 H GLN 4 H GLN 4 -30.278 13.231 -9.050 175 HA GLN 4 HA GLN 4 -33.276 13.289 -8.924 176 HB2 GLN 4 HB2 GLN 4 -31.325 15.055 -7.401 177 HB3 GLN 4 HB3 GLN 4 -33.079 15.010 -7.230 178 HG2 GLN 4 HG2 GLN 4 -31.107 12.824 -6.424 179 HG3 GLN 4 HG3 GLN 4 -31.975 13.907 -5.347 180 HE21 GLN 4 HE21 GLN 4 -33.756 10.548 -5.912 181 HE22 GLN 4 HE22 GLN 4 -31.997 10.791 -5.910 182 H HIS 5 H HIS 5 -34.326 14.974 -9.959 183 HA HIS 5 HA HIS 5 -32.709 16.881 -11.602 184 HB2 HIS 5 HB2 HIS 5 -34.358 15.563 -12.859 185 HB3 HIS 5 HB3 HIS 5 -35.639 16.097 -11.771 186 HD2 HIS 5 HD2 HIS 5 -33.160 17.580 -14.388 187 HE1 HIS 5 HE1 HIS 5 -36.568 20.129 -14.236 188 HE2 HIS 5 HE2 HIS 5 -34.358 19.679 -15.429 189 H LEU 6 H LEU 6 -32.667 18.969 -11.052 190 HA LEU 6 HA LEU 6 -34.249 19.984 -8.740 191 HB2 LEU 6 HB2 LEU 6 -31.228 19.672 -8.820 192 HB3 LEU 6 HB3 LEU 6 -32.126 20.493 -7.565 193 HG LEU 6 HG LEU 6 -32.412 17.509 -8.146 194 HD11 LEU 6 HD11 LEU 6 -30.647 18.991 -6.184 195 HD12 LEU 6 HD12 LEU 6 -30.987 17.244 -6.134 196 HD13 LEU 6 HD13 LEU 6 -30.141 17.945 -7.522 197 HD21 LEU 6 HD21 LEU 6 -34.335 18.466 -6.943 198 HD22 LEU 6 HD22 LEU 6 -33.360 17.488 -5.844 199 HD23 LEU 6 HD23 LEU 6 -33.245 19.262 -5.794 200 H CYS 7 H CYS 7 -35.084 21.579 -10.102 201 HA CYS 7 HA CYS 7 -33.209 23.667 -11.108 202 HB2 CYS 7 HB2 CYS 7 -36.194 23.316 -11.463 203 HB3 CYS 7 HB3 CYS 7 -35.235 24.613 -12.169 204 H GLY 8 H GLY 8 -33.149 25.741 -10.306 205 HA2 GLY 8 HA2 GLY 8 -33.567 27.587 -8.983 206 HA3 GLY 8 HA3 GLY 8 -35.249 27.056 -8.998 207 H SER 9 H SER 9 -36.059 27.039 -6.971 208 HA SER 9 HA SER 9 -34.496 27.073 -4.582 209 HB2 SER 9 HB2 SER 9 -36.716 26.720 -3.476 210 HB3 SER 9 HB3 SER 9 -36.676 28.082 -4.616 211 HG SER 9 HG SER 9 -38.463 26.339 -4.686 212 H HIS 10 H HIS 10 -35.863 24.342 -6.429 213 HA HIS 10 HA HIS 10 -35.653 22.390 -4.348 214 HB2 HIS 10 HB2 HIS 10 -35.382 21.987 -7.345 215 HB3 HIS 10 HB3 HIS 10 -35.696 20.740 -6.141 216 HD2 HIS 10 HD2 HIS 10 -37.559 22.725 -8.547 217 HE1 HIS 10 HE1 HIS 10 -40.391 22.020 -5.437 218 HE2 HIS 10 HE2 HIS 10 -40.104 22.770 -7.859 219 H LEU 11 H LEU 11 -33.153 23.757 -6.485 220 HA LEU 11 HA LEU 11 -31.203 21.689 -5.963 221 HB2 LEU 11 HB2 LEU 11 -31.206 23.233 -7.940 222 HB3 LEU 11 HB3 LEU 11 -30.828 24.576 -6.863 223 HG LEU 11 HG LEU 11 -28.665 23.448 -6.255 224 HD11 LEU 11 HD11 LEU 11 -29.494 21.495 -8.451 225 HD12 LEU 11 HD12 LEU 11 -27.859 21.615 -7.758 226 HD13 LEU 11 HD13 LEU 11 -29.206 21.103 -6.742 227 HD21 LEU 11 HD21 LEU 11 -28.783 25.154 -8.029 228 HD22 LEU 11 HD22 LEU 11 -27.555 23.920 -8.399 229 HD23 LEU 11 HD23 LEU 11 -29.121 23.890 -9.235 230 H VAL 12 H VAL 12 -31.811 24.871 -4.418 231 HA VAL 12 HA VAL 12 -29.642 24.451 -2.487 232 HB VAL 12 HB VAL 12 -30.562 26.415 -1.297 233 HG11 VAL 12 HG11 VAL 12 -30.021 26.824 -4.268 234 HG12 VAL 12 HG12 VAL 12 -29.818 28.024 -2.973 235 HG13 VAL 12 HG13 VAL 12 -28.788 26.588 -3.012 236 HG21 VAL 12 HG21 VAL 12 -32.942 26.280 -1.993 237 HG22 VAL 12 HG22 VAL 12 -32.218 27.844 -2.390 238 HG23 VAL 12 HG23 VAL 12 -32.459 26.640 -3.669 239 H GLU 13 H GLU 13 -33.187 23.849 -2.435 240 HA GLU 13 HA GLU 13 -33.304 22.918 0.259 241 HB2 GLU 13 HB2 GLU 13 -35.285 23.301 -1.129 242 HB3 GLU 13 HB3 GLU 13 -34.767 22.065 -2.266 243 HG2 GLU 13 HG2 GLU 13 -36.527 21.143 -0.968 244 HG3 GLU 13 HG3 GLU 13 -35.057 20.315 -0.495 245 HE2 GLU 13 HE2 GLU 13 -36.724 21.052 2.542 246 H ALA 14 H ALA 14 -32.388 21.115 -2.763 247 HA ALA 14 HA ALA 14 -31.862 18.660 -1.396 248 HB1 ALA 14 HB1 ALA 14 -30.832 19.755 -4.037 249 HB2 ALA 14 HB2 ALA 14 -30.721 18.057 -3.506 250 HB3 ALA 14 HB3 ALA 14 -32.309 18.794 -3.775 251 H LEU 15 H LEU 15 -29.627 21.388 -2.222 252 HA LEU 15 HA LEU 15 -27.270 20.185 -1.095 253 HB2 LEU 15 HB2 LEU 15 -28.168 23.067 -1.437 254 HB3 LEU 15 HB3 LEU 15 -26.633 22.656 -0.693 255 HG LEU 15 HG LEU 15 -27.310 21.566 -3.436 256 HD11 LEU 15 HD11 LEU 15 -25.973 24.227 -2.797 257 HD12 LEU 15 HD12 LEU 15 -26.075 23.466 -4.404 258 HD13 LEU 15 HD13 LEU 15 -27.555 24.007 -3.587 259 HD21 LEU 15 HD21 LEU 15 -25.343 20.634 -2.151 260 HD22 LEU 15 HD22 LEU 15 -24.874 21.451 -3.650 261 HD23 LEU 15 HD23 LEU 15 -24.658 22.261 -2.085 262 H TYR 16 H TYR 16 -29.837 22.181 0.483 263 HA TYR 16 HA TYR 16 -28.735 22.070 3.088 264 HB2 TYR 16 HB2 TYR 16 -30.597 23.561 2.426 265 HB3 TYR 16 HB3 TYR 16 -31.650 22.179 2.228 266 HD1 TYR 16 HD1 TYR 16 -29.252 23.297 4.941 267 HD2 TYR 16 HD2 TYR 16 -33.262 22.060 3.913 268 HE1 TYR 16 HE1 TYR 16 -29.907 23.454 7.324 269 HE2 TYR 16 HE2 TYR 16 -33.911 22.224 6.319 270 HH TYR 16 HH TYR 16 -31.596 23.247 8.828 271 H LEU 17 H LEU 17 -31.053 19.774 1.564 272 HA LEU 17 HA LEU 17 -31.193 18.005 3.823 273 HB2 LEU 17 HB2 LEU 17 -31.701 17.595 0.850 274 HB3 LEU 17 HB3 LEU 17 -32.065 16.376 2.061 275 HG LEU 17 HG LEU 17 -33.313 19.158 2.114 276 HD11 LEU 17 HD11 LEU 17 -34.436 16.557 0.985 277 HD12 LEU 17 HD12 LEU 17 -35.298 18.104 1.132 278 HD13 LEU 17 HD13 LEU 17 -33.922 17.972 0.032 279 HD21 LEU 17 HD21 LEU 17 -33.385 18.001 4.277 280 HD22 LEU 17 HD22 LEU 17 -34.992 18.075 3.550 281 HD23 LEU 17 HD23 LEU 17 -34.070 16.556 3.502 282 H VAL 18 H VAL 18 -28.911 18.032 1.074 283 HA VAL 18 HA VAL 18 -27.772 15.429 1.851 284 HB VAL 18 HB VAL 18 -27.120 17.442 -0.329 285 HG11 VAL 18 HG11 VAL 18 -25.801 14.748 0.181 286 HG12 VAL 18 HG12 VAL 18 -25.689 15.677 -1.334 287 HG13 VAL 18 HG13 VAL 18 -25.014 16.344 0.157 288 HG21 VAL 18 HG21 VAL 18 -29.220 16.076 -0.573 289 HG22 VAL 18 HG22 VAL 18 -28.014 15.701 -1.802 290 HG23 VAL 18 HG23 VAL 18 -28.249 14.600 -0.422 291 H CYS 19 H CYS 19 -26.755 18.851 2.151 292 HA CYS 19 HA CYS 19 -24.224 18.001 3.389 293 HB2 CYS 19 HB2 CYS 19 -25.288 20.792 2.992 294 HB3 CYS 19 HB3 CYS 19 -23.640 20.299 3.359 295 H GLY 20 H GLY 20 -27.355 19.360 4.460 296 HA2 GLY 20 HA2 GLY 20 -28.339 19.396 6.504 297 HA3 GLY 20 HA3 GLY 20 -27.180 18.152 6.972 298 H GLU 21 H GLU 21 -26.344 18.698 8.880 299 HA GLU 21 HA GLU 21 -26.406 21.215 10.125 300 HB2 GLU 21 HB2 GLU 21 -24.597 18.813 10.630 301 HB3 GLU 21 HB3 GLU 21 -24.787 20.173 11.742 302 HG2 GLU 21 HG2 GLU 21 -27.243 19.675 11.902 303 HG3 GLU 21 HG3 GLU 21 -26.973 18.223 10.923 304 HE2 GLU 21 HE2 GLU 21 -24.976 16.918 13.653 305 H ARG 22 H ARG 22 -24.171 20.275 7.715 306 HA ARG 22 HA ARG 22 -21.844 21.849 8.526 307 HB2 ARG 22 HB2 ARG 22 -22.808 20.560 5.927 308 HB3 ARG 22 HB3 ARG 22 -21.247 21.349 6.106 309 HG2 ARG 22 HG2 ARG 22 -20.550 19.801 7.836 310 HG3 ARG 22 HG3 ARG 22 -22.120 18.960 7.809 311 HD2 ARG 22 HD2 ARG 22 -20.592 19.352 5.266 312 HD3 ARG 22 HD3 ARG 22 -20.045 18.100 6.398 313 HE ARG 22 HE ARG 22 -22.877 17.894 5.774 314 HH11 ARG 22 HH11 ARG 22 -19.712 17.497 4.332 315 HH12 ARG 22 HH12 ARG 22 -20.171 16.107 3.376 316 HH21 ARG 22 HH21 ARG 22 -23.501 16.168 4.422 317 HH22 ARG 22 HH22 ARG 22 -22.327 15.384 3.422 318 H GLY 23 H GLY 23 -24.838 22.642 6.953 319 HA2 GLY 23 HA2 GLY 23 -25.481 24.490 5.635 320 HA3 GLY 23 HA3 GLY 23 -23.910 25.256 5.929 321 H PHE 24 H PHE 24 -23.983 25.661 3.545 322 HA PHE 24 HA PHE 24 -22.455 23.678 2.099 323 HB2 PHE 24 HB2 PHE 24 -24.050 23.485 0.194 324 HB3 PHE 24 HB3 PHE 24 -24.601 22.694 1.654 325 HD1 PHE 24 HD1 PHE 24 -26.545 23.466 2.893 326 HD2 PHE 24 HD2 PHE 24 -25.216 25.513 -0.653 327 HE1 PHE 24 HE1 PHE 24 -28.702 24.695 2.790 328 HE2 PHE 24 HE2 PHE 24 -27.395 26.698 -0.787 329 HZ PHE 24 HZ PHE 24 -29.147 26.283 0.937 330 H PHE 25 H PHE 25 -21.558 24.475 0.214 331 HA PHE 25 HA PHE 25 -21.383 27.401 -0.069 332 HB2 PHE 25 HB2 PHE 25 -19.641 25.200 -0.557 333 HB3 PHE 25 HB3 PHE 25 -20.057 25.802 -2.141 334 HD1 PHE 25 HD1 PHE 25 -19.395 28.105 -2.836 335 HD2 PHE 25 HD2 PHE 25 -18.424 26.553 1.071 336 HE1 PHE 25 HE1 PHE 25 -17.766 29.948 -2.509 337 HE2 PHE 25 HE2 PHE 25 -16.787 28.392 1.391 338 HZ PHE 25 HZ PHE 25 -16.453 30.088 -0.398 339 H TYR 26 H TYR 26 -21.816 28.456 -2.130 340 HA TYR 26 HA TYR 26 -23.050 26.788 -4.194 341 HB2 TYR 26 HB2 TYR 26 -24.973 27.843 -2.970 342 HB3 TYR 26 HB3 TYR 26 -24.375 29.419 -3.483 343 HD1 TYR 26 HD1 TYR 26 -25.243 26.023 -4.838 344 HD2 TYR 26 HD2 TYR 26 -25.205 30.277 -5.563 345 HE1 TYR 26 HE1 TYR 26 -26.311 25.650 -7.052 346 HE2 TYR 26 HE2 TYR 26 -26.295 29.894 -7.786 347 HH TYR 26 HH TYR 26 -27.394 26.703 -8.822 348 H THR 27 H THR 27 -22.921 27.688 -6.322 349 HA THR 27 HA THR 27 -20.673 29.609 -6.708 350 HB THR 27 HB THR 27 -19.591 27.892 -8.216 351 HG1 THR 27 HG1 THR 27 -20.922 26.067 -6.524 352 HG21 THR 27 HG21 THR 27 -19.559 27.243 -5.243 353 HG22 THR 27 HG22 THR 27 -18.291 26.903 -6.440 354 HG23 THR 27 HG23 THR 27 -18.668 28.575 -6.001 355 HA PRO 28 HA PRO 28 -24.081 30.043 -9.826 356 HB2 PRO 28 HB2 PRO 28 -24.333 32.765 -9.750 357 HB3 PRO 28 HB3 PRO 28 -25.025 31.704 -8.491 358 HG2 PRO 28 HG2 PRO 28 -22.368 33.168 -8.422 359 HG3 PRO 28 HG3 PRO 28 -23.667 33.181 -7.182 360 HD2 PRO 28 HD2 PRO 28 -21.526 31.529 -7.000 361 HD3 PRO 28 HD3 PRO 28 -23.147 30.985 -6.489 362 H LYS 29 H LYS 29 -24.181 31.531 -11.802 363 HA LYS 29 HA LYS 29 -21.619 32.521 -12.859 364 HB2 LYS 29 HB2 LYS 29 -21.996 30.058 -13.608 365 HB3 LYS 29 HB3 LYS 29 -23.398 30.660 -14.487 366 HG2 LYS 29 HG2 LYS 29 -21.556 32.361 -15.507 367 HG3 LYS 29 HG3 LYS 29 -20.451 31.113 -14.961 368 HD2 LYS 29 HD2 LYS 29 -20.906 30.548 -17.220 369 HD3 LYS 29 HD3 LYS 29 -21.908 29.442 -16.275 370 HE2 LYS 29 HE2 LYS 29 -23.422 30.192 -17.918 371 HE3 LYS 29 HE3 LYS 29 -23.784 31.247 -16.545 372 HZ1 LYS 29 HZ1 LYS 29 -22.326 32.011 -19.010 373 HZ2 LYS 29 HZ2 LYS 29 -23.597 32.757 -18.210 374 HZ3 LYS 29 HZ3 LYS 29 -22.198 32.884 -17.605 375 H ALA 30 H ALA 30 -21.975 34.335 -14.122 376 HA ALA 30 HA ALA 30 -24.733 35.092 -14.963 377 HB1 ALA 30 HB1 ALA 30 -22.100 36.646 -15.054 378 HB2 ALA 30 HB2 ALA 30 -23.680 37.231 -15.608 379 HB3 ALA 30 HB3 ALA 30 -23.418 36.908 -13.882 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -25.993 26.816 -8.692 2 H2 GLY 1 H2 GLY 1 -26.443 25.529 -9.632 3 H3 GLY 1 H3 GLY 1 -25.307 26.573 -10.176 4 HA2 GLY 1 HA2 GLY 1 -23.763 25.912 -8.462 5 HA3 GLY 1 HA3 GLY 1 -24.997 24.785 -7.854 6 H ILE 2 H ILE 2 -22.851 23.424 -8.382 7 HA ILE 2 HA ILE 2 -22.151 22.894 -11.054 8 HB ILE 2 HB ILE 2 -20.820 22.323 -9.014 9 HG12 ILE 2 HG12 ILE 2 -19.836 20.238 -9.841 10 HG13 ILE 2 HG13 ILE 2 -21.214 19.947 -10.894 11 HG21 ILE 2 HG21 ILE 2 -22.703 21.212 -7.711 12 HG22 ILE 2 HG22 ILE 2 -22.576 19.832 -8.821 13 HG23 ILE 2 HG23 ILE 2 -21.214 20.258 -7.798 14 HD11 ILE 2 HD11 ILE 2 -20.615 21.918 -12.250 15 HD12 ILE 2 HD12 ILE 2 -19.327 22.342 -11.094 16 HD13 ILE 2 HD13 ILE 2 -19.211 20.862 -12.065 17 H VAL 3 H VAL 3 -24.733 21.445 -9.160 18 HA VAL 3 HA VAL 3 -25.693 19.382 -10.624 19 HB VAL 3 HB VAL 3 -26.682 20.257 -8.574 20 HG11 VAL 3 HG11 VAL 3 -26.670 22.679 -9.037 21 HG12 VAL 3 HG12 VAL 3 -27.934 22.455 -10.274 22 HG13 VAL 3 HG13 VAL 3 -28.279 22.115 -8.571 23 HG21 VAL 3 HG21 VAL 3 -28.999 19.783 -8.983 24 HG22 VAL 3 HG22 VAL 3 -28.851 20.170 -10.708 25 HG23 VAL 3 HG23 VAL 3 -28.041 18.745 -10.044 26 H GLU 4 H GLU 4 -25.518 22.626 -11.948 27 HA GLU 4 HA GLU 4 -27.357 22.493 -14.082 28 HB2 GLU 4 HB2 GLU 4 -25.927 24.448 -13.448 29 HB3 GLU 4 HB3 GLU 4 -24.522 23.595 -14.087 30 HG2 GLU 4 HG2 GLU 4 -25.278 25.193 -15.735 31 HG3 GLU 4 HG3 GLU 4 -25.595 23.586 -16.365 32 HE2 GLU 4 HE2 GLU 4 -28.602 25.258 -17.047 33 H GLN 5 H GLN 5 -24.216 20.819 -13.720 34 HA GLN 5 HA GLN 5 -24.022 19.870 -16.428 35 HB2 GLN 5 HB2 GLN 5 -22.793 18.840 -13.831 36 HB3 GLN 5 HB3 GLN 5 -22.298 18.350 -15.450 37 HG2 GLN 5 HG2 GLN 5 -22.010 21.106 -14.185 38 HG3 GLN 5 HG3 GLN 5 -20.729 19.982 -14.635 39 HE21 GLN 5 HE21 GLN 5 -21.393 20.742 -18.227 40 HE22 GLN 5 HE22 GLN 5 -21.267 19.271 -17.260 41 H CYS 6 H CYS 6 -26.206 18.887 -14.006 42 HA CYS 6 HA CYS 6 -26.975 16.611 -15.697 43 HB2 CYS 6 HB2 CYS 6 -25.435 15.769 -13.941 44 HB3 CYS 6 HB3 CYS 6 -26.565 16.328 -12.705 45 H CYS 7 H CYS 7 -28.003 19.383 -14.990 46 HA CYS 7 HA CYS 7 -30.593 18.877 -13.720 47 HB2 CYS 7 HB2 CYS 7 -28.869 21.034 -13.928 48 HB3 CYS 7 HB3 CYS 7 -30.145 21.505 -15.015 49 H ALA 8 H ALA 8 -30.362 17.274 -16.013 50 HA ALA 8 HA ALA 8 -32.237 18.386 -18.009 51 HB1 ALA 8 HB1 ALA 8 -29.307 17.791 -18.653 52 HB2 ALA 8 HB2 ALA 8 -30.556 18.316 -19.813 53 HB3 ALA 8 HB3 ALA 8 -30.026 19.409 -18.533 54 H SER 9 H SER 9 -30.759 16.333 -19.892 55 HA SER 9 HA SER 9 -32.307 13.975 -19.510 56 HB2 SER 9 HB2 SER 9 -29.539 14.277 -20.748 57 HB3 SER 9 HB3 SER 9 -30.665 12.934 -21.018 58 HG SER 9 HG SER 9 -32.063 14.364 -22.049 59 H VAL 10 H VAL 10 -32.052 12.244 -18.206 60 HA VAL 10 HA VAL 10 -30.730 12.747 -15.806 61 HB VAL 10 HB VAL 10 -31.571 10.613 -15.015 62 HG11 VAL 10 HG11 VAL 10 -33.606 11.972 -16.836 63 HG12 VAL 10 HG12 VAL 10 -33.950 11.007 -15.398 64 HG13 VAL 10 HG13 VAL 10 -33.104 12.569 -15.248 65 HG21 VAL 10 HG21 VAL 10 -31.155 9.142 -16.948 66 HG22 VAL 10 HG22 VAL 10 -32.853 9.082 -16.464 67 HG23 VAL 10 HG23 VAL 10 -32.372 10.014 -17.898 68 H CYS 11 H CYS 11 -29.040 12.000 -14.685 69 HA CYS 11 HA CYS 11 -27.058 10.185 -15.906 70 HB2 CYS 11 HB2 CYS 11 -25.424 12.246 -15.302 71 HB3 CYS 11 HB3 CYS 11 -26.169 12.007 -16.877 72 H SER 12 H SER 12 -25.294 9.641 -14.496 73 HA SER 12 HA SER 12 -26.105 9.013 -11.864 74 HB2 SER 12 HB2 SER 12 -23.268 9.002 -12.960 75 HB3 SER 12 HB3 SER 12 -23.903 8.045 -11.605 76 HG SER 12 HG SER 12 -23.855 6.824 -13.552 77 H LEU 13 H LEU 13 -25.526 9.700 -9.877 78 HA LEU 13 HA LEU 13 -25.461 12.293 -9.193 79 HB2 LEU 13 HB2 LEU 13 -24.947 11.574 -6.945 80 HB3 LEU 13 HB3 LEU 13 -25.955 10.383 -7.736 81 HG LEU 13 HG LEU 13 -23.456 9.322 -8.270 82 HD11 LEU 13 HD11 LEU 13 -22.104 9.432 -6.231 83 HD12 LEU 13 HD12 LEU 13 -22.320 11.076 -6.847 84 HD13 LEU 13 HD13 LEU 13 -23.279 10.527 -5.474 85 HD21 LEU 13 HD21 LEU 13 -23.866 7.760 -6.448 86 HD22 LEU 13 HD22 LEU 13 -25.048 8.888 -5.731 87 HD23 LEU 13 HD23 LEU 13 -25.379 8.118 -7.297 88 H TYR 14 H TYR 14 -22.488 10.530 -9.911 89 HA TYR 14 HA TYR 14 -20.586 12.287 -8.814 90 HB2 TYR 14 HB2 TYR 14 -20.208 10.769 -11.407 91 HB3 TYR 14 HB3 TYR 14 -19.020 11.107 -10.157 92 HD1 TYR 14 HD1 TYR 14 -19.371 9.960 -7.834 93 HD2 TYR 14 HD2 TYR 14 -21.383 8.730 -11.438 94 HE1 TYR 14 HE1 TYR 14 -19.889 7.761 -6.792 95 HE2 TYR 14 HE2 TYR 14 -21.941 6.532 -10.374 96 HH TYR 14 HH TYR 14 -20.582 5.563 -7.290 97 H GLN 15 H GLN 15 -22.661 12.862 -11.499 98 HA GLN 15 HA GLN 15 -21.033 15.176 -12.465 99 HB2 GLN 15 HB2 GLN 15 -23.348 13.693 -13.764 100 HB3 GLN 15 HB3 GLN 15 -22.526 15.077 -14.459 101 HG2 GLN 15 HG2 GLN 15 -20.816 13.882 -15.255 102 HG3 GLN 15 HG3 GLN 15 -20.543 13.050 -13.740 103 HE21 GLN 15 HE21 GLN 15 -23.019 10.464 -14.999 104 HE22 GLN 15 HE22 GLN 15 -23.232 11.632 -13.669 105 H LEU 16 H LEU 16 -23.064 14.809 -10.055 106 HA LEU 16 HA LEU 16 -24.922 17.051 -10.738 107 HB2 LEU 16 HB2 LEU 16 -25.696 14.614 -10.644 108 HB3 LEU 16 HB3 LEU 16 -25.470 14.687 -8.903 109 HG LEU 16 HG LEU 16 -27.288 16.605 -10.417 110 HD11 LEU 16 HD11 LEU 16 -29.151 15.107 -9.847 111 HD12 LEU 16 HD12 LEU 16 -27.987 14.285 -10.885 112 HD13 LEU 16 HD13 LEU 16 -28.015 13.933 -9.143 113 HD21 LEU 16 HD21 LEU 16 -26.891 17.344 -8.119 114 HD22 LEU 16 HD22 LEU 16 -28.505 16.665 -8.209 115 HD23 LEU 16 HD23 LEU 16 -27.193 15.704 -7.496 116 H GLU 17 H GLU 17 -22.941 15.633 -8.075 117 HA GLU 17 HA GLU 17 -23.169 18.220 -6.631 118 HB2 GLU 17 HB2 GLU 17 -24.255 15.572 -5.791 119 HB3 GLU 17 HB3 GLU 17 -23.305 16.388 -4.562 120 HG2 GLU 17 HG2 GLU 17 -25.626 17.713 -6.018 121 HG3 GLU 17 HG3 GLU 17 -25.757 16.884 -4.472 122 HE2 GLU 17 HE2 GLU 17 -25.355 20.278 -3.574 123 H ASN 18 H ASN 18 -21.670 18.748 -5.187 124 HA ASN 18 HA ASN 18 -19.414 16.965 -4.549 125 HB2 ASN 18 HB2 ASN 18 -18.870 19.737 -5.690 126 HB3 ASN 18 HB3 ASN 18 -17.678 18.556 -5.172 127 HD21 ASN 18 HD21 ASN 18 -17.899 16.721 -8.222 128 HD22 ASN 18 HD22 ASN 18 -17.343 16.629 -6.556 129 H TYR 19 H TYR 19 -21.741 18.922 -3.351 130 HA TYR 19 HA TYR 19 -20.019 20.241 -1.277 131 HB2 TYR 19 HB2 TYR 19 -22.611 21.191 -2.555 132 HB3 TYR 19 HB3 TYR 19 -21.700 22.038 -1.315 133 HD1 TYR 19 HD1 TYR 19 -19.672 23.259 -1.830 134 HD2 TYR 19 HD2 TYR 19 -21.671 20.958 -4.880 135 HE1 TYR 19 HE1 TYR 19 -18.218 24.295 -3.555 136 HE2 TYR 19 HE2 TYR 19 -20.159 21.969 -6.608 137 HH TYR 19 HH TYR 19 -17.496 24.105 -5.767 138 H CYS 20 H CYS 20 -23.010 18.503 -1.851 139 HA CYS 20 HA CYS 20 -23.141 17.511 0.895 140 HB2 CYS 20 HB2 CYS 20 -25.479 18.921 -0.462 141 HB3 CYS 20 HB3 CYS 20 -25.577 18.009 1.037 142 H ASN 21 H ASN 21 -23.468 15.286 0.577 143 HA ASN 21 HA ASN 21 -25.114 14.166 -1.551 144 HB2 ASN 21 HB2 ASN 21 -23.148 14.842 -2.868 145 HB3 ASN 21 HB3 ASN 21 -22.062 14.071 -1.709 146 HD21 ASN 21 HD21 ASN 21 -22.744 10.780 -2.922 147 HD22 ASN 21 HD22 ASN 21 -22.575 11.677 -1.386 148 H1 PHE 1 H1 PHE 1 -26.807 5.077 -3.112 149 H2 PHE 1 H2 PHE 1 -25.311 5.224 -2.410 150 H3 PHE 1 H3 PHE 1 -25.576 5.771 -3.946 151 HA PHE 1 HA PHE 1 -26.929 6.885 -1.596 152 HB2 PHE 1 HB2 PHE 1 -24.866 8.460 -3.087 153 HB3 PHE 1 HB3 PHE 1 -25.338 8.537 -1.396 154 HD1 PHE 1 HD1 PHE 1 -22.981 7.218 -3.823 155 HD2 PHE 1 HD2 PHE 1 -24.487 6.668 0.194 156 HE1 PHE 1 HE1 PHE 1 -21.075 5.717 -3.303 157 HE2 PHE 1 HE2 PHE 1 -22.577 5.167 0.693 158 HZ PHE 1 HZ PHE 1 -20.881 4.679 -1.054 159 H VAL 2 H VAL 2 -28.470 8.472 -2.181 160 HA VAL 2 HA VAL 2 -28.255 10.146 -4.412 161 HB VAL 2 HB VAL 2 -30.746 9.567 -5.172 162 HG11 VAL 2 HG11 VAL 2 -28.812 9.896 -6.669 163 HG12 VAL 2 HG12 VAL 2 -28.438 8.164 -6.534 164 HG13 VAL 2 HG13 VAL 2 -29.974 8.690 -7.231 165 HG21 VAL 2 HG21 VAL 2 -30.945 7.474 -3.835 166 HG22 VAL 2 HG22 VAL 2 -31.209 7.252 -5.571 167 HG23 VAL 2 HG23 VAL 2 -29.673 6.744 -4.851 168 H ASN 3 H ASN 3 -29.326 12.001 -3.819 169 HA ASN 3 HA ASN 3 -30.781 11.886 -1.256 170 HB2 ASN 3 HB2 ASN 3 -29.822 14.381 -2.690 171 HB3 ASN 3 HB3 ASN 3 -30.139 14.148 -0.971 172 HD21 ASN 3 HD21 ASN 3 -26.897 12.726 -0.375 173 HD22 ASN 3 HD22 ASN 3 -28.500 12.934 0.295 174 H GLN 4 H GLN 4 -31.263 13.734 -4.303 175 HA GLN 4 HA GLN 4 -34.016 12.795 -4.509 176 HB2 GLN 4 HB2 GLN 4 -33.374 15.781 -4.300 177 HB3 GLN 4 HB3 GLN 4 -34.808 15.133 -5.073 178 HG2 GLN 4 HG2 GLN 4 -35.797 15.444 -3.111 179 HG3 GLN 4 HG3 GLN 4 -35.107 13.885 -2.698 180 HE21 GLN 4 HE21 GLN 4 -33.224 15.361 -0.074 181 HE22 GLN 4 HE22 GLN 4 -33.751 13.866 -0.878 182 H HIS 5 H HIS 5 -34.524 12.510 -6.660 183 HA HIS 5 HA HIS 5 -32.448 13.030 -8.671 184 HB2 HIS 5 HB2 HIS 5 -33.794 10.882 -8.403 185 HB3 HIS 5 HB3 HIS 5 -35.165 11.747 -9.103 186 HD2 HIS 5 HD2 HIS 5 -35.097 12.114 -11.750 187 HE1 HIS 5 HE1 HIS 5 -31.191 10.565 -12.498 188 HE2 HIS 5 HE2 HIS 5 -33.342 11.418 -13.585 189 H LEU 6 H LEU 6 -32.899 15.447 -8.008 190 HA LEU 6 HA LEU 6 -35.158 16.619 -9.589 191 HB2 LEU 6 HB2 LEU 6 -34.330 16.854 -6.726 192 HB3 LEU 6 HB3 LEU 6 -34.724 18.364 -7.498 193 HG LEU 6 HG LEU 6 -36.590 17.360 -6.251 194 HD11 LEU 6 HD11 LEU 6 -37.145 17.662 -9.228 195 HD12 LEU 6 HD12 LEU 6 -38.304 17.860 -7.901 196 HD13 LEU 6 HD13 LEU 6 -36.955 18.997 -8.072 197 HD21 LEU 6 HD21 LEU 6 -36.209 14.952 -6.872 198 HD22 LEU 6 HD22 LEU 6 -37.876 15.511 -7.085 199 HD23 LEU 6 HD23 LEU 6 -36.823 15.322 -8.494 200 H CYS 7 H CYS 7 -34.807 18.259 -10.840 201 HA CYS 7 HA CYS 7 -32.313 19.886 -10.662 202 HB2 CYS 7 HB2 CYS 7 -32.879 18.995 -12.873 203 HB3 CYS 7 HB3 CYS 7 -34.479 19.723 -12.789 204 H GLY 8 H GLY 8 -33.166 22.369 -11.293 205 HA2 GLY 8 HA2 GLY 8 -34.593 24.166 -10.832 206 HA3 GLY 8 HA3 GLY 8 -35.622 23.117 -9.857 207 H SER 9 H SER 9 -35.711 23.916 -7.837 208 HA SER 9 HA SER 9 -33.180 24.782 -6.484 209 HB2 SER 9 HB2 SER 9 -34.408 26.736 -7.406 210 HB3 SER 9 HB3 SER 9 -35.788 26.321 -6.372 211 HG SER 9 HG SER 9 -34.392 26.585 -4.565 212 H HIS 10 H HIS 10 -36.127 22.994 -6.226 213 HA HIS 10 HA HIS 10 -36.710 23.216 -3.509 214 HB2 HIS 10 HB2 HIS 10 -37.054 20.775 -5.301 215 HB3 HIS 10 HB3 HIS 10 -37.973 21.153 -3.845 216 HD2 HIS 10 HD2 HIS 10 -40.226 22.355 -4.268 217 HE1 HIS 10 HE1 HIS 10 -39.501 23.951 -8.153 218 HE2 HIS 10 HE2 HIS 10 -41.236 23.674 -6.309 219 H LEU 11 H LEU 11 -34.480 20.855 -5.050 220 HA LEU 11 HA LEU 11 -33.950 19.502 -2.584 221 HB2 LEU 11 HB2 LEU 11 -32.467 18.151 -3.750 222 HB3 LEU 11 HB3 LEU 11 -33.847 18.449 -4.760 223 HG LEU 11 HG LEU 11 -32.065 18.332 -6.194 224 HD11 LEU 11 HD11 LEU 11 -32.317 21.343 -5.868 225 HD12 LEU 11 HD12 LEU 11 -31.809 20.438 -7.303 226 HD13 LEU 11 HD13 LEU 11 -33.468 20.286 -6.738 227 HD21 LEU 11 HD21 LEU 11 -30.240 18.472 -4.582 228 HD22 LEU 11 HD22 LEU 11 -29.931 19.423 -6.037 229 HD23 LEU 11 HD23 LEU 11 -30.388 20.234 -4.531 230 H VAL 12 H VAL 12 -32.244 22.273 -4.091 231 HA VAL 12 HA VAL 12 -30.102 22.146 -2.091 232 HB VAL 12 HB VAL 12 -29.418 24.350 -2.838 233 HG11 VAL 12 HG11 VAL 12 -29.892 22.470 -5.179 234 HG12 VAL 12 HG12 VAL 12 -28.627 23.704 -5.027 235 HG13 VAL 12 HG13 VAL 12 -28.610 22.292 -3.959 236 HG21 VAL 12 HG21 VAL 12 -31.610 25.324 -3.511 237 HG22 VAL 12 HG22 VAL 12 -30.387 25.448 -4.776 238 HG23 VAL 12 HG23 VAL 12 -31.648 24.212 -4.899 239 H GLU 13 H GLU 13 -33.285 23.707 -2.242 240 HA GLU 13 HA GLU 13 -32.874 25.212 0.192 241 HB2 GLU 13 HB2 GLU 13 -34.596 25.768 -1.529 242 HB3 GLU 13 HB3 GLU 13 -35.449 24.274 -1.140 243 HG2 GLU 13 HG2 GLU 13 -36.542 26.128 -0.028 244 HG3 GLU 13 HG3 GLU 13 -35.812 25.101 1.197 245 HE2 GLU 13 HE2 GLU 13 -34.933 28.353 2.211 246 H ALA 14 H ALA 14 -34.298 21.951 -0.487 247 HA ALA 14 HA ALA 14 -34.812 21.269 2.231 248 HB1 ALA 14 HB1 ALA 14 -34.728 18.946 1.410 249 HB2 ALA 14 HB2 ALA 14 -35.630 19.978 0.283 250 HB3 ALA 14 HB3 ALA 14 -33.967 19.481 -0.100 251 H LEU 15 H LEU 15 -31.814 20.779 0.273 252 HA LEU 15 HA LEU 15 -30.232 19.780 2.434 253 HB2 LEU 15 HB2 LEU 15 -29.508 21.145 -0.170 254 HB3 LEU 15 HB3 LEU 15 -28.301 20.480 0.918 255 HG LEU 15 HG LEU 15 -30.545 18.762 -0.232 256 HD11 LEU 15 HD11 LEU 15 -29.210 19.696 -2.077 257 HD12 LEU 15 HD12 LEU 15 -27.711 19.163 -1.283 258 HD13 LEU 15 HD13 LEU 15 -28.888 17.970 -1.871 259 HD21 LEU 15 HD21 LEU 15 -29.453 17.815 1.757 260 HD22 LEU 15 HD22 LEU 15 -29.007 16.916 0.305 261 HD23 LEU 15 HD23 LEU 15 -27.859 18.064 1.014 262 H TYR 16 H TYR 16 -31.269 23.106 1.943 263 HA TYR 16 HA TYR 16 -29.099 24.311 3.419 264 HB2 TYR 16 HB2 TYR 16 -30.880 25.494 2.031 265 HB3 TYR 16 HB3 TYR 16 -31.986 25.236 3.374 266 HD1 TYR 16 HD1 TYR 16 -31.670 26.436 5.523 267 HD2 TYR 16 HD2 TYR 16 -29.002 27.058 2.192 268 HE1 TYR 16 HE1 TYR 16 -30.768 28.474 6.620 269 HE2 TYR 16 HE2 TYR 16 -28.101 29.095 3.295 270 HH TYR 16 HH TYR 16 -29.275 30.198 6.477 271 H LEU 17 H LEU 17 -32.107 22.700 4.420 272 HA LEU 17 HA LEU 17 -31.418 22.911 7.291 273 HB2 LEU 17 HB2 LEU 17 -33.680 21.509 5.790 274 HB3 LEU 17 HB3 LEU 17 -33.411 21.402 7.524 275 HG LEU 17 HG LEU 17 -33.633 23.935 7.649 276 HD11 LEU 17 HD11 LEU 17 -34.708 23.549 4.814 277 HD12 LEU 17 HD12 LEU 17 -35.056 24.961 5.836 278 HD13 LEU 17 HD13 LEU 17 -33.405 24.641 5.331 279 HD21 LEU 17 HD21 LEU 17 -36.031 22.326 6.678 280 HD22 LEU 17 HD22 LEU 17 -35.396 22.354 8.339 281 HD23 LEU 17 HD23 LEU 17 -36.085 23.822 7.637 282 H VAL 18 H VAL 18 -31.756 20.276 4.866 283 HA VAL 18 HA VAL 18 -30.994 18.223 6.684 284 HB VAL 18 HB VAL 18 -31.211 18.263 3.654 285 HG11 VAL 18 HG11 VAL 18 -31.441 15.792 3.776 286 HG12 VAL 18 HG12 VAL 18 -29.816 16.334 4.195 287 HG13 VAL 18 HG13 VAL 18 -30.939 15.847 5.481 288 HG21 VAL 18 HG21 VAL 18 -33.324 18.699 4.903 289 HG22 VAL 18 HG22 VAL 18 -33.366 17.144 4.071 290 HG23 VAL 18 HG23 VAL 18 -33.078 17.203 5.823 291 H CYS 19 H CYS 19 -28.908 20.136 4.556 292 HA CYS 19 HA CYS 19 -26.568 18.462 5.359 293 HB2 CYS 19 HB2 CYS 19 -26.979 19.151 2.972 294 HB3 CYS 19 HB3 CYS 19 -26.698 20.816 3.469 295 H GLY 20 H GLY 20 -28.347 21.077 6.491 296 HA2 GLY 20 HA2 GLY 20 -28.175 22.595 8.121 297 HA3 GLY 20 HA3 GLY 20 -26.899 21.562 8.750 298 H GLU 21 H GLU 21 -25.323 22.391 6.224 299 HA GLU 21 HA GLU 21 -24.118 24.842 7.427 300 HB2 GLU 21 HB2 GLU 21 -22.755 22.259 6.564 301 HB3 GLU 21 HB3 GLU 21 -21.983 23.637 7.351 302 HG2 GLU 21 HG2 GLU 21 -24.050 21.782 8.622 303 HG3 GLU 21 HG3 GLU 21 -22.324 21.780 8.914 304 HE2 GLU 21 HE2 GLU 21 -24.006 23.706 11.490 305 H ARG 22 H ARG 22 -25.619 24.635 4.886 306 HA ARG 22 HA ARG 22 -24.367 26.610 3.484 307 HB2 ARG 22 HB2 ARG 22 -23.611 25.595 1.324 308 HB3 ARG 22 HB3 ARG 22 -22.559 25.315 2.668 309 HG2 ARG 22 HG2 ARG 22 -24.115 22.993 2.721 310 HG3 ARG 22 HG3 ARG 22 -24.136 23.399 1.006 311 HD2 ARG 22 HD2 ARG 22 -22.309 21.899 1.455 312 HD3 ARG 22 HD3 ARG 22 -21.627 23.478 1.043 313 HE ARG 22 HE ARG 22 -21.660 23.780 3.664 314 HH11 ARG 22 HH11 ARG 22 -20.924 20.644 2.200 315 HH12 ARG 22 HH12 ARG 22 -19.959 20.176 3.564 316 HH21 ARG 22 HH21 ARG 22 -20.484 23.140 5.281 317 HH22 ARG 22 HH22 ARG 22 -19.710 21.570 5.306 318 H GLY 23 H GLY 23 -26.237 23.689 2.606 319 HA2 GLY 23 HA2 GLY 23 -27.980 23.357 1.138 320 HA3 GLY 23 HA3 GLY 23 -28.438 25.042 1.338 321 H PHE 24 H PHE 24 -26.862 26.610 0.168 322 HA PHE 24 HA PHE 24 -26.399 25.663 -2.628 323 HB2 PHE 24 HB2 PHE 24 -27.713 27.573 -3.415 324 HB3 PHE 24 HB3 PHE 24 -28.665 26.515 -2.398 325 HD1 PHE 24 HD1 PHE 24 -29.666 27.290 -0.346 326 HD2 PHE 24 HD2 PHE 24 -26.912 29.816 -2.504 327 HE1 PHE 24 HE1 PHE 24 -30.270 29.208 1.107 328 HE2 PHE 24 HE2 PHE 24 -27.501 31.716 -1.030 329 HZ PHE 24 HZ PHE 24 -29.177 31.413 0.782 330 H PHE 25 H PHE 25 -24.522 26.795 -0.300 331 HA PHE 25 HA PHE 25 -23.466 29.245 -1.273 332 HB2 PHE 25 HB2 PHE 25 -22.023 27.039 0.228 333 HB3 PHE 25 HB3 PHE 25 -21.425 28.667 -0.013 334 HD1 PHE 25 HD1 PHE 25 -21.231 27.877 2.569 335 HD2 PHE 25 HD2 PHE 25 -24.811 29.339 0.636 336 HE1 PHE 25 HE1 PHE 25 -22.136 28.602 4.762 337 HE2 PHE 25 HE2 PHE 25 -25.703 30.027 2.820 338 HZ PHE 25 HZ PHE 25 -24.379 29.674 4.890 339 H TYR 26 H TYR 26 -21.998 29.845 -2.694 340 HA TYR 26 HA TYR 26 -20.137 28.053 -4.060 341 HB2 TYR 26 HB2 TYR 26 -22.377 29.542 -5.486 342 HB3 TYR 26 HB3 TYR 26 -20.868 29.199 -6.305 343 HD1 TYR 26 HD1 TYR 26 -20.078 26.881 -6.705 344 HD2 TYR 26 HD2 TYR 26 -23.978 27.743 -5.098 345 HE1 TYR 26 HE1 TYR 26 -20.736 24.522 -7.061 346 HE2 TYR 26 HE2 TYR 26 -24.615 25.341 -5.355 347 HH TYR 26 HH TYR 26 -22.336 22.927 -5.928 348 H THR 27 H THR 27 -18.918 29.718 -5.771 349 HA THR 27 HA THR 27 -17.586 31.776 -4.324 350 HB THR 27 HB THR 27 -17.016 32.587 -6.682 351 HG1 THR 27 HG1 THR 27 -18.898 31.758 -7.648 352 HG21 THR 27 HG21 THR 27 -16.532 29.624 -6.141 353 HG22 THR 27 HG22 THR 27 -15.612 30.670 -7.242 354 HG23 THR 27 HG23 THR 27 -15.561 30.969 -5.495 355 HA PRO 28 HA PRO 28 -20.769 34.786 -4.198 356 HB2 PRO 28 HB2 PRO 28 -19.408 37.131 -3.793 357 HB3 PRO 28 HB3 PRO 28 -19.492 35.822 -2.573 358 HG2 PRO 28 HG2 PRO 28 -17.288 36.329 -4.605 359 HG3 PRO 28 HG3 PRO 28 -17.120 36.076 -2.836 360 HD2 PRO 28 HD2 PRO 28 -16.781 34.034 -4.585 361 HD3 PRO 28 HD3 PRO 28 -17.626 33.767 -3.028 362 H LYS 29 H LYS 29 -21.863 36.373 -5.276 363 HA LYS 29 HA LYS 29 -20.978 37.233 -7.986 364 HB2 LYS 29 HB2 LYS 29 -23.239 36.404 -8.027 365 HB3 LYS 29 HB3 LYS 29 -23.669 37.266 -6.534 366 HG2 LYS 29 HG2 LYS 29 -23.429 39.383 -7.583 367 HG3 LYS 29 HG3 LYS 29 -22.830 38.644 -9.094 368 HD2 LYS 29 HD2 LYS 29 -25.100 37.900 -9.602 369 HD3 LYS 29 HD3 LYS 29 -25.669 38.519 -8.008 370 HE2 LYS 29 HE2 LYS 29 -24.676 40.747 -8.558 371 HE3 LYS 29 HE3 LYS 29 -24.186 40.174 -10.132 372 HZ1 LYS 29 HZ1 LYS 29 -26.157 41.477 -10.198 373 HZ2 LYS 29 HZ2 LYS 29 -26.546 39.944 -10.677 374 HZ3 LYS 29 HZ3 LYS 29 -26.958 40.492 -9.159 375 H ALA 30 H ALA 30 -20.713 39.385 -8.470 376 HA ALA 30 HA ALA 30 -21.373 41.455 -6.456 377 HB1 ALA 30 HB1 ALA 30 -19.420 41.678 -8.792 378 HB2 ALA 30 HB2 ALA 30 -19.920 42.997 -7.716 379 HB3 ALA 30 HB3 ALA 30 -18.973 41.641 -7.067 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -18.615 24.797 -11.325 2 H2 GLY 1 H2 GLY 1 -18.019 26.330 -11.160 3 H3 GLY 1 H3 GLY 1 -18.833 25.888 -12.529 4 HA2 GLY 1 HA2 GLY 1 -20.067 25.989 -9.858 5 HA3 GLY 1 HA3 GLY 1 -20.209 27.264 -11.090 6 H ILE 2 H ILE 2 -22.391 25.641 -9.964 7 HA ILE 2 HA ILE 2 -23.086 23.889 -12.273 8 HB ILE 2 HB ILE 2 -22.223 22.650 -10.395 9 HG12 ILE 2 HG12 ILE 2 -23.961 20.975 -10.123 10 HG13 ILE 2 HG13 ILE 2 -25.195 22.065 -10.736 11 HG21 ILE 2 HG21 ILE 2 -23.356 22.424 -8.271 12 HG22 ILE 2 HG22 ILE 2 -22.936 24.124 -8.512 13 HG23 ILE 2 HG23 ILE 2 -24.606 23.567 -8.748 14 HD11 ILE 2 HD11 ILE 2 -24.161 22.048 -12.960 15 HD12 ILE 2 HD12 ILE 2 -22.772 21.121 -12.338 16 HD13 ILE 2 HD13 ILE 2 -24.383 20.382 -12.401 17 H VAL 3 H VAL 3 -23.999 26.111 -12.873 18 HA VAL 3 HA VAL 3 -26.640 26.718 -11.790 19 HB VAL 3 HB VAL 3 -25.208 28.473 -12.637 20 HG11 VAL 3 HG11 VAL 3 -24.843 28.893 -14.989 21 HG12 VAL 3 HG12 VAL 3 -24.146 27.321 -14.583 22 HG13 VAL 3 HG13 VAL 3 -25.699 27.421 -15.453 23 HG21 VAL 3 HG21 VAL 3 -26.890 29.727 -13.864 24 HG22 VAL 3 HG22 VAL 3 -27.761 28.240 -14.285 25 HG23 VAL 3 HG23 VAL 3 -27.668 28.769 -12.595 26 H GLU 4 H GLU 4 -25.541 25.077 -14.762 27 HA GLU 4 HA GLU 4 -28.392 24.521 -15.418 28 HB2 GLU 4 HB2 GLU 4 -27.068 25.887 -16.980 29 HB3 GLU 4 HB3 GLU 4 -25.905 24.580 -17.146 30 HG2 GLU 4 HG2 GLU 4 -27.305 24.506 -19.067 31 HG3 GLU 4 HG3 GLU 4 -27.779 23.125 -18.094 32 HE2 GLU 4 HE2 GLU 4 -30.814 24.609 -19.134 33 H GLN 5 H GLN 5 -25.244 22.756 -15.516 34 HA GLN 5 HA GLN 5 -26.399 20.461 -16.592 35 HB2 GLN 5 HB2 GLN 5 -23.735 20.548 -15.147 36 HB3 GLN 5 HB3 GLN 5 -24.237 19.434 -16.413 37 HG2 GLN 5 HG2 GLN 5 -23.551 22.372 -16.689 38 HG3 GLN 5 HG3 GLN 5 -22.748 20.985 -17.414 39 HE21 GLN 5 HE21 GLN 5 -25.294 20.700 -20.013 40 HE22 GLN 5 HE22 GLN 5 -24.281 19.652 -19.026 41 H CYS 6 H CYS 6 -27.391 21.126 -13.689 42 HA CYS 6 HA CYS 6 -27.554 18.254 -12.840 43 HB2 CYS 6 HB2 CYS 6 -27.477 20.769 -11.281 44 HB3 CYS 6 HB3 CYS 6 -28.819 19.721 -10.858 45 H CYS 7 H CYS 7 -29.345 21.196 -13.694 46 HA CYS 7 HA CYS 7 -31.978 19.960 -13.450 47 HB2 CYS 7 HB2 CYS 7 -31.440 22.310 -12.792 48 HB3 CYS 7 HB3 CYS 7 -31.111 22.673 -14.491 49 H ALA 8 H ALA 8 -30.754 18.323 -15.016 50 HA ALA 8 HA ALA 8 -31.657 18.813 -17.808 51 HB1 ALA 8 HB1 ALA 8 -28.775 18.169 -17.024 52 HB2 ALA 8 HB2 ALA 8 -29.423 18.218 -18.681 53 HB3 ALA 8 HB3 ALA 8 -29.369 19.701 -17.706 54 H SER 9 H SER 9 -29.824 16.444 -15.806 55 HA SER 9 HA SER 9 -31.883 14.380 -16.222 56 HB2 SER 9 HB2 SER 9 -29.007 13.982 -17.149 57 HB3 SER 9 HB3 SER 9 -30.193 12.686 -16.911 58 HG SER 9 HG SER 9 -30.152 13.313 -19.079 59 H VAL 10 H VAL 10 -32.223 14.273 -14.040 60 HA VAL 10 HA VAL 10 -31.675 13.844 -11.764 61 HB VAL 10 HB VAL 10 -31.474 11.323 -11.672 62 HG11 VAL 10 HG11 VAL 10 -33.655 12.543 -13.391 63 HG12 VAL 10 HG12 VAL 10 -33.731 10.992 -12.533 64 HG13 VAL 10 HG13 VAL 10 -33.601 12.498 -11.613 65 HG21 VAL 10 HG21 VAL 10 -30.279 10.994 -13.871 66 HG22 VAL 10 HG22 VAL 10 -31.758 10.035 -13.691 67 HG23 VAL 10 HG23 VAL 10 -31.767 11.492 -14.703 68 H CYS 11 H CYS 11 -29.680 15.193 -11.429 69 HA CYS 11 HA CYS 11 -27.149 13.891 -11.801 70 HB2 CYS 11 HB2 CYS 11 -26.140 15.868 -11.047 71 HB3 CYS 11 HB3 CYS 11 -27.472 16.276 -12.103 72 H SER 12 H SER 12 -25.554 13.390 -10.321 73 HA SER 12 HA SER 12 -26.641 11.595 -8.357 74 HB2 SER 12 HB2 SER 12 -23.706 11.980 -8.945 75 HB3 SER 12 HB3 SER 12 -24.529 10.512 -8.415 76 HG SER 12 HG SER 12 -25.491 10.349 -10.425 77 H LEU 13 H LEU 13 -25.935 11.168 -6.260 78 HA LEU 13 HA LEU 13 -26.040 13.218 -4.449 79 HB2 LEU 13 HB2 LEU 13 -24.478 10.667 -3.878 80 HB3 LEU 13 HB3 LEU 13 -25.346 11.700 -2.764 81 HG LEU 13 HG LEU 13 -27.435 10.977 -4.367 82 HD11 LEU 13 HD11 LEU 13 -25.603 8.530 -4.282 83 HD12 LEU 13 HD12 LEU 13 -27.264 8.596 -4.908 84 HD13 LEU 13 HD13 LEU 13 -25.961 9.447 -5.752 85 HD21 LEU 13 HD21 LEU 13 -27.371 10.739 -1.920 86 HD22 LEU 13 HD22 LEU 13 -27.976 9.256 -2.674 87 HD23 LEU 13 HD23 LEU 13 -26.306 9.324 -2.064 88 H TYR 14 H TYR 14 -22.953 11.760 -5.603 89 HA TYR 14 HA TYR 14 -21.267 13.413 -3.996 90 HB2 TYR 14 HB2 TYR 14 -19.561 12.655 -5.860 91 HB3 TYR 14 HB3 TYR 14 -20.151 11.581 -4.615 92 HD1 TYR 14 HD1 TYR 14 -21.416 9.633 -5.099 93 HD2 TYR 14 HD2 TYR 14 -20.529 12.470 -8.224 94 HE1 TYR 14 HE1 TYR 14 -22.207 7.995 -6.806 95 HE2 TYR 14 HE2 TYR 14 -21.331 10.822 -9.929 96 HH TYR 14 HH TYR 14 -22.143 7.517 -9.150 97 H GLN 15 H GLN 15 -22.817 14.104 -7.098 98 HA GLN 15 HA GLN 15 -21.049 16.300 -7.844 99 HB2 GLN 15 HB2 GLN 15 -23.962 15.893 -8.631 100 HB3 GLN 15 HB3 GLN 15 -22.752 16.880 -9.440 101 HG2 GLN 15 HG2 GLN 15 -21.503 14.826 -10.087 102 HG3 GLN 15 HG3 GLN 15 -22.699 13.834 -9.253 103 HE21 GLN 15 HE21 GLN 15 -24.324 13.687 -12.441 104 HE22 GLN 15 HE22 GLN 15 -23.646 12.713 -11.147 105 H LEU 16 H LEU 16 -24.004 15.930 -5.945 106 HA LEU 16 HA LEU 16 -24.366 18.769 -5.358 107 HB2 LEU 16 HB2 LEU 16 -25.475 16.294 -3.972 108 HB3 LEU 16 HB3 LEU 16 -26.087 17.931 -3.799 109 HG LEU 16 HG LEU 16 -26.093 16.437 -6.469 110 HD11 LEU 16 HD11 LEU 16 -28.360 16.656 -4.470 111 HD12 LEU 16 HD12 LEU 16 -28.386 15.863 -6.071 112 HD13 LEU 16 HD13 LEU 16 -27.392 15.196 -4.774 113 HD21 LEU 16 HD21 LEU 16 -26.302 18.896 -6.631 114 HD22 LEU 16 HD22 LEU 16 -27.809 18.087 -7.071 115 HD23 LEU 16 HD23 LEU 16 -27.655 18.855 -5.474 116 H GLU 17 H GLU 17 -23.048 15.945 -3.595 117 HA GLU 17 HA GLU 17 -22.371 17.349 -1.226 118 HB2 GLU 17 HB2 GLU 17 -21.328 14.771 -2.385 119 HB3 GLU 17 HB3 GLU 17 -20.895 15.341 -0.775 120 HG2 GLU 17 HG2 GLU 17 -23.028 15.044 0.107 121 HG3 GLU 17 HG3 GLU 17 -23.839 15.184 -1.439 122 HE2 GLU 17 HE2 GLU 17 -24.021 11.762 -0.548 123 H ASN 18 H ASN 18 -20.604 17.285 -4.260 124 HA ASN 18 HA ASN 18 -18.128 18.341 -3.433 125 HB2 ASN 18 HB2 ASN 18 -19.088 17.673 -5.766 126 HB3 ASN 18 HB3 ASN 18 -19.727 19.313 -5.836 127 HD21 ASN 18 HD21 ASN 18 -16.012 20.301 -5.764 128 HD22 ASN 18 HD22 ASN 18 -17.263 20.537 -4.537 129 H TYR 19 H TYR 19 -21.304 19.875 -3.228 130 HA TYR 19 HA TYR 19 -20.034 22.437 -2.358 131 HB2 TYR 19 HB2 TYR 19 -22.767 21.802 -3.508 132 HB3 TYR 19 HB3 TYR 19 -22.393 23.313 -2.708 133 HD1 TYR 19 HD1 TYR 19 -20.568 24.792 -3.556 134 HD2 TYR 19 HD2 TYR 19 -21.955 21.397 -5.802 135 HE1 TYR 19 HE1 TYR 19 -19.422 25.680 -5.572 136 HE2 TYR 19 HE2 TYR 19 -20.829 22.282 -7.842 137 HH TYR 19 HH TYR 19 -18.576 24.886 -7.644 138 H CYS 20 H CYS 20 -21.149 19.649 -0.974 139 HA CYS 20 HA CYS 20 -22.167 20.940 1.514 140 HB2 CYS 20 HB2 CYS 20 -21.715 17.998 0.864 141 HB3 CYS 20 HB3 CYS 20 -22.474 18.652 2.293 142 H ASN 21 H ASN 21 -19.447 19.084 0.243 143 HA ASN 21 HA ASN 21 -17.773 17.940 1.118 144 HB2 ASN 21 HB2 ASN 21 -16.075 19.211 2.438 145 HB3 ASN 21 HB3 ASN 21 -16.553 19.937 0.905 146 HD21 ASN 21 HD21 ASN 21 -17.864 21.846 4.249 147 HD22 ASN 21 HD22 ASN 21 -17.760 20.078 4.224 148 H1 PHE 1 H1 PHE 1 -30.878 2.990 -4.024 149 H2 PHE 1 H2 PHE 1 -32.492 3.199 -3.925 150 H3 PHE 1 H3 PHE 1 -31.582 3.195 -2.540 151 HA PHE 1 HA PHE 1 -32.244 5.432 -3.138 152 HB2 PHE 1 HB2 PHE 1 -29.548 4.536 -2.653 153 HB3 PHE 1 HB3 PHE 1 -29.465 5.866 -3.784 154 HD1 PHE 1 HD1 PHE 1 -28.846 5.407 -0.586 155 HD2 PHE 1 HD2 PHE 1 -31.714 7.668 -2.917 156 HE1 PHE 1 HE1 PHE 1 -29.114 7.026 1.269 157 HE2 PHE 1 HE2 PHE 1 -31.963 9.257 -1.055 158 HZ PHE 1 HZ PHE 1 -30.670 8.945 1.040 159 H VAL 2 H VAL 2 -31.306 7.294 -4.749 160 HA VAL 2 HA VAL 2 -31.279 6.400 -7.551 161 HB VAL 2 HB VAL 2 -33.122 7.928 -8.167 162 HG11 VAL 2 HG11 VAL 2 -34.105 5.789 -6.249 163 HG12 VAL 2 HG12 VAL 2 -34.965 6.497 -7.624 164 HG13 VAL 2 HG13 VAL 2 -33.534 5.498 -7.909 165 HG21 VAL 2 HG21 VAL 2 -33.137 9.400 -6.156 166 HG22 VAL 2 HG22 VAL 2 -34.730 8.740 -6.533 167 HG23 VAL 2 HG23 VAL 2 -33.799 8.057 -5.194 168 H ASN 3 H ASN 3 -31.369 8.705 -8.865 169 HA ASN 3 HA ASN 3 -29.700 10.742 -7.463 170 HB2 ASN 3 HB2 ASN 3 -29.482 9.838 -10.366 171 HB3 ASN 3 HB3 ASN 3 -28.697 11.239 -9.665 172 HD21 ASN 3 HD21 ASN 3 -26.906 8.249 -7.798 173 HD22 ASN 3 HD22 ASN 3 -28.469 8.868 -7.244 174 H GLN 4 H GLN 4 -30.178 13.038 -8.582 175 HA GLN 4 HA GLN 4 -33.159 13.120 -8.870 176 HB2 GLN 4 HB2 GLN 4 -31.514 14.407 -6.682 177 HB3 GLN 4 HB3 GLN 4 -33.184 14.848 -7.036 178 HG2 GLN 4 HG2 GLN 4 -32.322 12.027 -6.245 179 HG3 GLN 4 HG3 GLN 4 -32.922 13.250 -5.136 180 HE21 GLN 4 HE21 GLN 4 -35.677 11.447 -7.554 181 HE22 GLN 4 HE22 GLN 4 -33.970 11.235 -7.991 182 H HIS 5 H HIS 5 -34.121 14.740 -9.820 183 HA HIS 5 HA HIS 5 -32.468 16.097 -11.796 184 HB2 HIS 5 HB2 HIS 5 -34.683 14.674 -12.001 185 HB3 HIS 5 HB3 HIS 5 -35.491 16.190 -11.668 186 HD2 HIS 5 HD2 HIS 5 -34.865 18.238 -13.550 187 HE1 HIS 5 HE1 HIS 5 -33.976 15.421 -16.628 188 HE2 HIS 5 HE2 HIS 5 -34.482 17.864 -16.142 189 H LEU 6 H LEU 6 -31.691 17.426 -9.722 190 HA LEU 6 HA LEU 6 -33.608 19.290 -8.669 191 HB2 LEU 6 HB2 LEU 6 -30.630 18.938 -8.225 192 HB3 LEU 6 HB3 LEU 6 -31.628 20.055 -7.296 193 HG LEU 6 HG LEU 6 -32.186 17.057 -7.440 194 HD11 LEU 6 HD11 LEU 6 -30.649 18.669 -5.382 195 HD12 LEU 6 HD12 LEU 6 -31.168 16.975 -5.185 196 HD13 LEU 6 HD13 LEU 6 -30.020 17.417 -6.459 197 HD21 LEU 6 HD21 LEU 6 -34.168 18.330 -6.783 198 HD22 LEU 6 HD22 LEU 6 -33.495 17.534 -5.362 199 HD23 LEU 6 HD23 LEU 6 -33.217 19.268 -5.609 200 H CYS 7 H CYS 7 -34.008 21.323 -8.946 201 HA CYS 7 HA CYS 7 -32.343 23.016 -10.759 202 HB2 CYS 7 HB2 CYS 7 -35.362 22.692 -10.661 203 HB3 CYS 7 HB3 CYS 7 -34.500 23.806 -11.712 204 H GLY 8 H GLY 8 -31.908 25.011 -9.913 205 HA2 GLY 8 HA2 GLY 8 -32.045 26.947 -8.654 206 HA3 GLY 8 HA3 GLY 8 -33.730 26.850 -9.146 207 H SER 9 H SER 9 -35.215 26.901 -7.547 208 HA SER 9 HA SER 9 -34.557 27.263 -4.794 209 HB2 SER 9 HB2 SER 9 -37.049 27.053 -4.508 210 HB3 SER 9 HB3 SER 9 -36.531 28.266 -5.695 211 HG SER 9 HG SER 9 -38.271 26.808 -6.380 212 H HIS 10 H HIS 10 -35.780 24.390 -6.562 213 HA HIS 10 HA HIS 10 -35.943 22.676 -4.234 214 HB2 HIS 10 HB2 HIS 10 -35.572 21.946 -7.168 215 HB3 HIS 10 HB3 HIS 10 -35.998 20.842 -5.864 216 HD2 HIS 10 HD2 HIS 10 -37.599 23.038 -8.415 217 HE1 HIS 10 HE1 HIS 10 -40.670 22.184 -5.579 218 HE2 HIS 10 HE2 HIS 10 -40.183 23.124 -7.902 219 H LEU 11 H LEU 11 -33.268 23.533 -6.424 220 HA LEU 11 HA LEU 11 -31.485 21.454 -5.475 221 HB2 LEU 11 HB2 LEU 11 -31.125 22.454 -7.646 222 HB3 LEU 11 HB3 LEU 11 -30.982 24.061 -6.947 223 HG LEU 11 HG LEU 11 -28.878 23.452 -5.833 224 HD11 LEU 11 HD11 LEU 11 -27.724 21.355 -6.399 225 HD12 LEU 11 HD12 LEU 11 -29.214 21.013 -5.528 226 HD13 LEU 11 HD13 LEU 11 -29.149 20.785 -7.293 227 HD21 LEU 11 HD21 LEU 11 -28.818 24.425 -8.081 228 HD22 LEU 11 HD22 LEU 11 -27.513 23.239 -7.887 229 HD23 LEU 11 HD23 LEU 11 -28.966 22.805 -8.808 230 H VAL 12 H VAL 12 -31.798 24.947 -4.531 231 HA VAL 12 HA VAL 12 -29.767 24.657 -2.471 232 HB VAL 12 HB VAL 12 -30.478 26.803 -1.604 233 HG11 VAL 12 HG11 VAL 12 -30.335 26.814 -4.648 234 HG12 VAL 12 HG12 VAL 12 -29.927 28.152 -3.554 235 HG13 VAL 12 HG13 VAL 12 -28.946 26.678 -3.545 236 HG21 VAL 12 HG21 VAL 12 -32.928 26.690 -1.944 237 HG22 VAL 12 HG22 VAL 12 -32.226 28.141 -2.669 238 HG23 VAL 12 HG23 VAL 12 -32.675 26.771 -3.701 239 H GLU 13 H GLU 13 -33.303 24.157 -2.380 240 HA GLU 13 HA GLU 13 -33.364 23.632 0.453 241 HB2 GLU 13 HB2 GLU 13 -35.393 24.151 -0.801 242 HB3 GLU 13 HB3 GLU 13 -35.165 22.737 -1.827 243 HG2 GLU 13 HG2 GLU 13 -36.913 22.365 -0.156 244 HG3 GLU 13 HG3 GLU 13 -35.593 21.218 0.034 245 HE2 GLU 13 HE2 GLU 13 -35.368 23.919 2.884 246 H ALA 14 H ALA 14 -32.724 21.499 -2.385 247 HA ALA 14 HA ALA 14 -32.467 19.105 -0.816 248 HB1 ALA 14 HB1 ALA 14 -31.353 19.861 -3.540 249 HB2 ALA 14 HB2 ALA 14 -31.385 18.219 -2.855 250 HB3 ALA 14 HB3 ALA 14 -32.908 19.062 -3.208 251 H LEU 15 H LEU 15 -30.021 21.596 -1.778 252 HA LEU 15 HA LEU 15 -27.807 20.256 -0.497 253 HB2 LEU 15 HB2 LEU 15 -28.333 23.211 -1.009 254 HB3 LEU 15 HB3 LEU 15 -26.824 22.566 -0.376 255 HG LEU 15 HG LEU 15 -27.957 21.829 -3.105 256 HD11 LEU 15 HD11 LEU 15 -25.704 23.736 -2.360 257 HD12 LEU 15 HD12 LEU 15 -26.215 23.299 -4.004 258 HD13 LEU 15 HD13 LEU 15 -27.309 24.218 -2.950 259 HD21 LEU 15 HD21 LEU 15 -26.456 20.085 -2.224 260 HD22 LEU 15 HD22 LEU 15 -25.686 20.966 -3.545 261 HD23 LEU 15 HD23 LEU 15 -25.224 21.309 -1.867 262 H TYR 16 H TYR 16 -30.186 22.658 0.821 263 HA TYR 16 HA TYR 16 -29.212 22.661 3.471 264 HB2 TYR 16 HB2 TYR 16 -30.934 24.186 2.693 265 HB3 TYR 16 HB3 TYR 16 -32.043 22.872 2.397 266 HD1 TYR 16 HD1 TYR 16 -30.249 24.703 5.105 267 HD2 TYR 16 HD2 TYR 16 -33.466 22.006 4.105 268 HE1 TYR 16 HE1 TYR 16 -31.168 24.947 7.404 269 HE2 TYR 16 HE2 TYR 16 -34.384 22.258 6.409 270 HH TYR 16 HH TYR 16 -32.721 24.167 8.901 271 H LEU 17 H LEU 17 -31.516 20.307 2.024 272 HA LEU 17 HA LEU 17 -31.732 18.730 4.436 273 HB2 LEU 17 HB2 LEU 17 -32.399 18.149 1.530 274 HB3 LEU 17 HB3 LEU 17 -32.829 17.081 2.861 275 HG LEU 17 HG LEU 17 -33.783 19.976 2.694 276 HD11 LEU 17 HD11 LEU 17 -35.216 17.422 1.858 277 HD12 LEU 17 HD12 LEU 17 -35.916 19.056 1.912 278 HD13 LEU 17 HD13 LEU 17 -34.618 18.696 0.765 279 HD21 LEU 17 HD21 LEU 17 -33.866 19.029 4.961 280 HD22 LEU 17 HD22 LEU 17 -35.486 19.247 4.293 281 HD23 LEU 17 HD23 LEU 17 -34.765 17.621 4.351 282 H VAL 18 H VAL 18 -29.609 18.332 1.568 283 HA VAL 18 HA VAL 18 -28.640 15.728 2.533 284 HB VAL 18 HB VAL 18 -27.894 17.441 0.135 285 HG11 VAL 18 HG11 VAL 18 -26.884 14.657 0.858 286 HG12 VAL 18 HG12 VAL 18 -26.703 15.432 -0.734 287 HG13 VAL 18 HG13 VAL 18 -25.906 16.128 0.673 288 HG21 VAL 18 HG21 VAL 18 -30.145 16.343 0.075 289 HG22 VAL 18 HG22 VAL 18 -29.048 15.674 -1.134 290 HG23 VAL 18 HG23 VAL 18 -29.373 14.773 0.368 291 H CYS 19 H CYS 19 -27.286 19.042 2.356 292 HA CYS 19 HA CYS 19 -24.723 18.151 3.453 293 HB2 CYS 19 HB2 CYS 19 -25.699 20.998 3.222 294 HB3 CYS 19 HB3 CYS 19 -24.053 20.394 3.263 295 H GLY 20 H GLY 20 -27.694 19.709 4.678 296 HA2 GLY 20 HA2 GLY 20 -28.475 20.121 6.785 297 HA3 GLY 20 HA3 GLY 20 -27.700 18.585 7.153 298 H GLU 21 H GLU 21 -26.182 18.596 8.650 299 HA GLU 21 HA GLU 21 -25.664 20.750 10.368 300 HB2 GLU 21 HB2 GLU 21 -23.874 18.315 9.968 301 HB3 GLU 21 HB3 GLU 21 -24.031 19.290 11.425 302 HG2 GLU 21 HG2 GLU 21 -26.115 17.391 10.266 303 HG3 GLU 21 HG3 GLU 21 -25.169 17.183 11.736 304 HE2 GLU 21 HE2 GLU 21 -27.237 19.282 13.540 305 H ARG 22 H ARG 22 -24.129 20.233 7.327 306 HA ARG 22 HA ARG 22 -21.540 21.483 8.025 307 HB2 ARG 22 HB2 ARG 22 -22.715 20.627 5.351 308 HB3 ARG 22 HB3 ARG 22 -21.027 21.038 5.655 309 HG2 ARG 22 HG2 ARG 22 -20.730 19.055 7.059 310 HG3 ARG 22 HG3 ARG 22 -22.461 18.677 6.969 311 HD2 ARG 22 HD2 ARG 22 -22.180 18.628 4.424 312 HD3 ARG 22 HD3 ARG 22 -20.445 18.599 4.719 313 HE ARG 22 HE ARG 22 -22.432 16.488 5.250 314 HH11 ARG 22 HH11 ARG 22 -19.033 17.315 5.287 315 HH12 ARG 22 HH12 ARG 22 -18.544 15.768 5.700 316 HH21 ARG 22 HH21 ARG 22 -21.685 14.440 5.617 317 HH22 ARG 22 HH22 ARG 22 -19.983 14.171 5.921 318 H GLY 23 H GLY 23 -24.607 22.612 6.840 319 HA2 GLY 23 HA2 GLY 23 -25.233 24.589 5.713 320 HA3 GLY 23 HA3 GLY 23 -23.589 25.223 5.900 321 H PHE 24 H PHE 24 -23.873 25.818 3.522 322 HA PHE 24 HA PHE 24 -22.520 23.858 1.905 323 HB2 PHE 24 HB2 PHE 24 -24.147 23.712 0.084 324 HB3 PHE 24 HB3 PHE 24 -24.747 22.992 1.553 325 HD1 PHE 24 HD1 PHE 24 -26.707 23.822 2.686 326 HD2 PHE 24 HD2 PHE 24 -25.147 25.833 -0.789 327 HE1 PHE 24 HE1 PHE 24 -28.826 25.102 2.469 328 HE2 PHE 24 HE2 PHE 24 -27.272 27.102 -1.010 329 HZ PHE 24 HZ PHE 24 -29.121 26.726 0.618 330 H PHE 25 H PHE 25 -21.928 24.680 -0.198 331 HA PHE 25 HA PHE 25 -21.849 27.676 -0.384 332 HB2 PHE 25 HB2 PHE 25 -19.884 25.568 -1.345 333 HB3 PHE 25 HB3 PHE 25 -19.827 27.247 -1.860 334 HD1 PHE 25 HD1 PHE 25 -19.418 29.088 -0.211 335 HD2 PHE 25 HD2 PHE 25 -19.032 24.921 0.849 336 HE1 PHE 25 HE1 PHE 25 -18.080 29.717 1.785 337 HE2 PHE 25 HE2 PHE 25 -17.693 25.554 2.832 338 HZ PHE 25 HZ PHE 25 -17.213 27.951 3.305 339 H TYR 26 H TYR 26 -21.724 28.510 -2.673 340 HA TYR 26 HA TYR 26 -22.637 26.788 -4.809 341 HB2 TYR 26 HB2 TYR 26 -24.779 27.499 -3.579 342 HB3 TYR 26 HB3 TYR 26 -24.449 29.135 -4.129 343 HD1 TYR 26 HD1 TYR 26 -24.849 25.600 -5.309 344 HD2 TYR 26 HD2 TYR 26 -25.235 29.780 -6.313 345 HE1 TYR 26 HE1 TYR 26 -25.897 24.984 -7.484 346 HE2 TYR 26 HE2 TYR 26 -26.267 29.152 -8.498 347 HH TYR 26 HH TYR 26 -26.534 25.793 -9.597 348 H THR 27 H THR 27 -22.905 28.208 -6.926 349 HA THR 27 HA THR 27 -20.752 30.308 -6.888 350 HB THR 27 HB THR 27 -20.118 29.649 -9.113 351 HG1 THR 27 HG1 THR 27 -22.244 28.732 -9.501 352 HG21 THR 27 HG21 THR 27 -20.139 27.197 -7.317 353 HG22 THR 27 HG22 THR 27 -18.970 27.591 -8.600 354 HG23 THR 27 HG23 THR 27 -19.026 28.566 -7.118 355 HA PRO 28 HA PRO 28 -23.880 32.887 -9.006 356 HB2 PRO 28 HB2 PRO 28 -21.553 34.769 -8.658 357 HB3 PRO 28 HB3 PRO 28 -23.302 35.080 -8.427 358 HG2 PRO 28 HG2 PRO 28 -21.680 34.757 -6.279 359 HG3 PRO 28 HG3 PRO 28 -23.294 33.970 -6.305 360 HD2 PRO 28 HD2 PRO 28 -20.603 32.743 -6.988 361 HD3 PRO 28 HD3 PRO 28 -21.889 32.104 -5.917 362 H LYS 29 H LYS 29 -23.581 34.129 -11.084 363 HA LYS 29 HA LYS 29 -21.114 33.830 -12.606 364 HB2 LYS 29 HB2 LYS 29 -22.560 31.672 -12.989 365 HB3 LYS 29 HB3 LYS 29 -23.675 32.739 -13.835 366 HG2 LYS 29 HG2 LYS 29 -21.426 33.430 -15.159 367 HG3 LYS 29 HG3 LYS 29 -20.859 31.894 -14.538 368 HD2 LYS 29 HD2 LYS 29 -21.719 31.392 -16.693 369 HD3 LYS 29 HD3 LYS 29 -22.963 30.841 -15.568 370 HE2 LYS 29 HE2 LYS 29 -24.217 31.979 -17.216 371 HE3 LYS 29 HE3 LYS 29 -24.057 33.175 -15.923 372 HZ1 LYS 29 HZ1 LYS 29 -23.452 34.408 -17.730 373 HZ2 LYS 29 HZ2 LYS 29 -22.062 34.026 -17.217 374 HZ3 LYS 29 HZ3 LYS 29 -22.632 33.184 -18.525 375 H ALA 30 H ALA 30 -20.926 35.545 -14.004 376 HA ALA 30 HA ALA 30 -23.299 37.189 -14.745 377 HB1 ALA 30 HB1 ALA 30 -20.311 37.733 -15.108 378 HB2 ALA 30 HB2 ALA 30 -21.642 38.780 -15.642 379 HB3 ALA 30 HB3 ALA 30 -21.370 38.519 -13.907 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -18.686 26.539 -12.892 2 H2 GLY 1 H2 GLY 1 -18.732 28.137 -12.461 3 H3 GLY 1 H3 GLY 1 -19.794 27.528 -13.574 4 HA2 GLY 1 HA2 GLY 1 -19.733 26.703 -10.746 5 HA3 GLY 1 HA3 GLY 1 -20.870 27.879 -11.448 6 H ILE 2 H ILE 2 -21.801 25.461 -10.213 7 HA ILE 2 HA ILE 2 -22.170 23.416 -12.212 8 HB ILE 2 HB ILE 2 -22.134 22.908 -9.828 9 HG12 ILE 2 HG12 ILE 2 -24.230 21.488 -9.675 10 HG13 ILE 2 HG13 ILE 2 -24.763 22.182 -11.201 11 HG21 ILE 2 HG21 ILE 2 -23.914 23.411 -8.297 12 HG22 ILE 2 HG22 ILE 2 -23.339 24.937 -8.953 13 HG23 ILE 2 HG23 ILE 2 -24.866 24.220 -9.539 14 HD11 ILE 2 HD11 ILE 2 -22.671 21.268 -12.279 15 HD12 ILE 2 HD12 ILE 2 -22.218 20.562 -10.712 16 HD13 ILE 2 HD13 ILE 2 -23.683 20.010 -11.548 17 H VAL 3 H VAL 3 -24.433 25.865 -10.939 18 HA VAL 3 HA VAL 3 -26.409 26.621 -11.690 19 HB VAL 3 HB VAL 3 -24.817 28.070 -12.606 20 HG11 VAL 3 HG11 VAL 3 -24.042 28.172 -14.833 21 HG12 VAL 3 HG12 VAL 3 -23.629 26.562 -14.229 22 HG13 VAL 3 HG13 VAL 3 -24.987 26.782 -15.350 23 HG21 VAL 3 HG21 VAL 3 -27.157 27.786 -14.527 24 HG22 VAL 3 HG22 VAL 3 -27.226 28.507 -12.907 25 HG23 VAL 3 HG23 VAL 3 -26.226 29.248 -14.163 26 H GLU 4 H GLU 4 -26.122 25.583 -15.031 27 HA GLU 4 HA GLU 4 -28.790 24.497 -14.736 28 HB2 GLU 4 HB2 GLU 4 -28.054 25.976 -16.599 29 HB3 GLU 4 HB3 GLU 4 -26.957 24.720 -17.157 30 HG2 GLU 4 HG2 GLU 4 -28.934 24.762 -18.543 31 HG3 GLU 4 HG3 GLU 4 -28.909 23.248 -17.662 32 HE2 GLU 4 HE2 GLU 4 -32.251 24.350 -17.412 33 H GLN 5 H GLN 5 -25.660 23.013 -14.576 34 HA GLN 5 HA GLN 5 -26.372 20.610 -15.974 35 HB2 GLN 5 HB2 GLN 5 -24.000 20.961 -14.130 36 HB3 GLN 5 HB3 GLN 5 -24.192 19.805 -15.443 37 HG2 GLN 5 HG2 GLN 5 -23.665 22.775 -15.615 38 HG3 GLN 5 HG3 GLN 5 -22.740 21.444 -16.295 39 HE21 GLN 5 HE21 GLN 5 -25.059 21.157 -19.115 40 HE22 GLN 5 HE22 GLN 5 -24.147 20.090 -18.047 41 H CYS 6 H CYS 6 -27.806 21.329 -13.270 42 HA CYS 6 HA CYS 6 -28.227 18.432 -12.695 43 HB2 CYS 6 HB2 CYS 6 -28.170 20.705 -10.701 44 HB3 CYS 6 HB3 CYS 6 -28.977 19.179 -10.376 45 H CYS 7 H CYS 7 -29.543 21.234 -14.001 46 HA CYS 7 HA CYS 7 -32.341 20.603 -13.297 47 HB2 CYS 7 HB2 CYS 7 -31.484 22.961 -13.304 48 HB3 CYS 7 HB3 CYS 7 -31.183 22.804 -15.028 49 H ALA 8 H ALA 8 -31.468 18.461 -14.318 50 HA ALA 8 HA ALA 8 -32.356 18.097 -17.073 51 HB1 ALA 8 HB1 ALA 8 -29.398 17.827 -16.310 52 HB2 ALA 8 HB2 ALA 8 -30.107 17.454 -17.899 53 HB3 ALA 8 HB3 ALA 8 -30.073 19.123 -17.325 54 H SER 9 H SER 9 -31.034 15.657 -17.520 55 HA SER 9 HA SER 9 -32.167 13.670 -15.833 56 HB2 SER 9 HB2 SER 9 -29.557 13.515 -17.397 57 HB3 SER 9 HB3 SER 9 -30.589 12.157 -16.908 58 HG SER 9 HG SER 9 -32.216 13.022 -18.290 59 H VAL 10 H VAL 10 -31.432 12.618 -14.045 60 HA VAL 10 HA VAL 10 -30.464 14.245 -12.143 61 HB VAL 10 HB VAL 10 -30.456 12.455 -10.582 62 HG11 VAL 10 HG11 VAL 10 -32.592 11.828 -12.653 63 HG12 VAL 10 HG12 VAL 10 -32.712 11.665 -10.899 64 HG13 VAL 10 HG13 VAL 10 -32.611 13.272 -11.637 65 HG21 VAL 10 HG21 VAL 10 -29.285 10.596 -11.579 66 HG22 VAL 10 HG22 VAL 10 -30.936 10.079 -11.257 67 HG23 VAL 10 HG23 VAL 10 -30.450 10.505 -12.914 68 H CYS 11 H CYS 11 -28.629 15.252 -11.827 69 HA CYS 11 HA CYS 11 -26.041 14.176 -12.471 70 HB2 CYS 11 HB2 CYS 11 -25.174 16.144 -11.374 71 HB3 CYS 11 HB3 CYS 11 -26.509 16.563 -12.435 72 H SER 12 H SER 12 -24.477 13.271 -11.141 73 HA SER 12 HA SER 12 -25.569 11.258 -9.437 74 HB2 SER 12 HB2 SER 12 -22.648 11.987 -9.738 75 HB3 SER 12 HB3 SER 12 -23.322 10.396 -9.341 76 HG SER 12 HG SER 12 -24.335 10.534 -11.505 77 H LEU 13 H LEU 13 -24.869 10.652 -7.256 78 HA LEU 13 HA LEU 13 -25.311 12.527 -5.320 79 HB2 LEU 13 HB2 LEU 13 -23.854 10.891 -3.790 80 HB3 LEU 13 HB3 LEU 13 -25.476 10.561 -4.317 81 HG LEU 13 HG LEU 13 -24.659 9.059 -6.098 82 HD11 LEU 13 HD11 LEU 13 -21.908 9.645 -4.919 83 HD12 LEU 13 HD12 LEU 13 -22.275 8.288 -6.003 84 HD13 LEU 13 HD13 LEU 13 -22.437 9.933 -6.598 85 HD21 LEU 13 HD21 LEU 13 -25.221 8.200 -3.854 86 HD22 LEU 13 HD22 LEU 13 -23.914 7.265 -4.597 87 HD23 LEU 13 HD23 LEU 13 -23.541 8.456 -3.332 88 H TYR 14 H TYR 14 -21.928 11.748 -6.324 89 HA TYR 14 HA TYR 14 -20.812 13.727 -4.547 90 HB2 TYR 14 HB2 TYR 14 -18.806 13.384 -6.241 91 HB3 TYR 14 HB3 TYR 14 -19.246 12.210 -5.026 92 HD1 TYR 14 HD1 TYR 14 -19.157 10.000 -5.675 93 HD2 TYR 14 HD2 TYR 14 -20.253 12.972 -8.597 94 HE1 TYR 14 HE1 TYR 14 -19.393 8.219 -7.392 95 HE2 TYR 14 HE2 TYR 14 -20.495 11.169 -10.322 96 HH TYR 14 HH TYR 14 -19.637 7.814 -9.682 97 H GLN 15 H GLN 15 -22.484 14.222 -7.541 98 HA GLN 15 HA GLN 15 -21.166 16.849 -8.027 99 HB2 GLN 15 HB2 GLN 15 -23.429 15.405 -9.439 100 HB3 GLN 15 HB3 GLN 15 -22.870 17.012 -9.875 101 HG2 GLN 15 HG2 GLN 15 -20.958 16.261 -10.899 102 HG3 GLN 15 HG3 GLN 15 -20.715 14.950 -9.760 103 HE21 GLN 15 HE21 GLN 15 -21.668 12.809 -12.403 104 HE22 GLN 15 HE22 GLN 15 -20.258 13.444 -11.548 105 H LEU 16 H LEU 16 -24.331 15.498 -6.979 106 HA LEU 16 HA LEU 16 -25.540 18.026 -6.298 107 HB2 LEU 16 HB2 LEU 16 -25.939 15.159 -5.333 108 HB3 LEU 16 HB3 LEU 16 -26.909 16.491 -4.711 109 HG LEU 16 HG LEU 16 -26.758 15.756 -7.657 110 HD11 LEU 16 HD11 LEU 16 -28.896 15.077 -5.601 111 HD12 LEU 16 HD12 LEU 16 -28.976 14.776 -7.360 112 HD13 LEU 16 HD13 LEU 16 -27.756 13.942 -6.384 113 HD21 LEU 16 HD21 LEU 16 -27.461 18.076 -7.343 114 HD22 LEU 16 HD22 LEU 16 -28.904 17.131 -7.705 115 HD23 LEU 16 HD23 LEU 16 -28.551 17.618 -6.026 116 H GLU 17 H GLU 17 -23.665 15.700 -4.336 117 HA GLU 17 HA GLU 17 -23.769 17.508 -2.019 118 HB2 GLU 17 HB2 GLU 17 -22.616 14.712 -2.271 119 HB3 GLU 17 HB3 GLU 17 -22.844 15.622 -0.775 120 HG2 GLU 17 HG2 GLU 17 -25.269 15.646 -1.075 121 HG3 GLU 17 HG3 GLU 17 -25.145 14.862 -2.653 122 HE2 GLU 17 HE2 GLU 17 -24.451 12.591 0.532 123 H ASN 18 H ASN 18 -21.947 17.788 -4.603 124 HA ASN 18 HA ASN 18 -19.247 17.750 -4.012 125 HB2 ASN 18 HB2 ASN 18 -20.293 18.277 -6.192 126 HB3 ASN 18 HB3 ASN 18 -20.887 19.813 -5.572 127 HD21 ASN 18 HD21 ASN 18 -17.605 21.283 -5.789 128 HD22 ASN 18 HD22 ASN 18 -19.136 21.439 -4.933 129 H TYR 19 H TYR 19 -21.601 20.048 -2.752 130 HA TYR 19 HA TYR 19 -19.475 21.784 -1.617 131 HB2 TYR 19 HB2 TYR 19 -22.458 22.285 -1.825 132 HB3 TYR 19 HB3 TYR 19 -21.210 23.456 -1.408 133 HD1 TYR 19 HD1 TYR 19 -19.422 24.028 -3.149 134 HD2 TYR 19 HD2 TYR 19 -23.005 21.837 -4.128 135 HE1 TYR 19 HE1 TYR 19 -19.021 24.454 -5.574 136 HE2 TYR 19 HE2 TYR 19 -22.592 22.241 -6.549 137 HH TYR 19 HH TYR 19 -19.632 23.286 -7.739 138 H CYS 20 H CYS 20 -20.748 19.069 -0.542 139 HA CYS 20 HA CYS 20 -21.235 19.933 2.276 140 HB2 CYS 20 HB2 CYS 20 -22.998 18.306 0.412 141 HB3 CYS 20 HB3 CYS 20 -23.255 18.402 2.153 142 H ASN 21 H ASN 21 -19.475 17.764 0.383 143 HA ASN 21 HA ASN 21 -19.953 15.331 1.841 144 HB2 ASN 21 HB2 ASN 21 -19.144 15.690 -0.617 145 HB3 ASN 21 HB3 ASN 21 -17.536 15.872 0.094 146 HD21 ASN 21 HD21 ASN 21 -18.116 12.271 1.290 147 HD22 ASN 21 HD22 ASN 21 -18.201 13.785 2.215 148 H1 PHE 1 H1 PHE 1 -29.941 3.536 -3.709 149 H2 PHE 1 H2 PHE 1 -31.484 3.177 -4.096 150 H3 PHE 1 H3 PHE 1 -31.032 3.226 -2.504 151 HA PHE 1 HA PHE 1 -32.288 5.211 -3.149 152 HB2 PHE 1 HB2 PHE 1 -30.556 5.285 -1.346 153 HB3 PHE 1 HB3 PHE 1 -29.351 5.742 -2.547 154 HD1 PHE 1 HD1 PHE 1 -29.129 8.053 -3.240 155 HD2 PHE 1 HD2 PHE 1 -32.558 6.804 -0.916 156 HE1 PHE 1 HE1 PHE 1 -29.856 10.411 -3.018 157 HE2 PHE 1 HE2 PHE 1 -33.263 9.167 -0.701 158 HZ PHE 1 HZ PHE 1 -31.920 10.970 -1.758 159 H VAL 2 H VAL 2 -32.064 7.382 -4.416 160 HA VAL 2 HA VAL 2 -30.464 7.129 -6.878 161 HB VAL 2 HB VAL 2 -32.351 7.670 -8.343 162 HG11 VAL 2 HG11 VAL 2 -32.824 5.038 -6.895 163 HG12 VAL 2 HG12 VAL 2 -33.261 5.453 -8.561 164 HG13 VAL 2 HG13 VAL 2 -31.556 5.328 -8.111 165 HG21 VAL 2 HG21 VAL 2 -34.154 7.012 -5.970 166 HG22 VAL 2 HG22 VAL 2 -33.979 8.594 -6.766 167 HG23 VAL 2 HG23 VAL 2 -34.676 7.241 -7.651 168 H ASN 3 H ASN 3 -29.998 9.011 -7.895 169 HA ASN 3 HA ASN 3 -30.291 11.479 -6.344 170 HB2 ASN 3 HB2 ASN 3 -28.881 10.861 -8.982 171 HB3 ASN 3 HB3 ASN 3 -28.824 12.402 -8.125 172 HD21 ASN 3 HD21 ASN 3 -26.928 10.904 -5.365 173 HD22 ASN 3 HD22 ASN 3 -28.287 11.997 -5.571 174 H GLN 4 H GLN 4 -30.651 13.516 -7.990 175 HA GLN 4 HA GLN 4 -33.509 13.187 -8.772 176 HB2 GLN 4 HB2 GLN 4 -32.349 15.053 -6.666 177 HB3 GLN 4 HB3 GLN 4 -34.036 15.027 -7.190 178 HG2 GLN 4 HG2 GLN 4 -32.528 12.839 -5.682 179 HG3 GLN 4 HG3 GLN 4 -33.764 13.905 -5.038 180 HE21 GLN 4 HE21 GLN 4 -35.166 10.536 -6.191 181 HE22 GLN 4 HE22 GLN 4 -33.595 10.812 -5.440 182 H HIS 5 H HIS 5 -34.397 14.799 -10.016 183 HA HIS 5 HA HIS 5 -32.652 16.130 -11.892 184 HB2 HIS 5 HB2 HIS 5 -35.667 16.396 -11.706 185 HB3 HIS 5 HB3 HIS 5 -34.644 16.523 -13.129 186 HD2 HIS 5 HD2 HIS 5 -36.599 14.082 -10.999 187 HE1 HIS 5 HE1 HIS 5 -34.991 11.791 -14.207 188 HE2 HIS 5 HE2 HIS 5 -36.624 11.772 -12.249 189 H LEU 6 H LEU 6 -31.856 17.474 -9.728 190 HA LEU 6 HA LEU 6 -33.788 19.472 -8.880 191 HB2 LEU 6 HB2 LEU 6 -30.943 19.015 -7.971 192 HB3 LEU 6 HB3 LEU 6 -32.104 20.122 -7.231 193 HG LEU 6 HG LEU 6 -32.393 17.110 -7.411 194 HD11 LEU 6 HD11 LEU 6 -31.952 18.973 -5.060 195 HD12 LEU 6 HD12 LEU 6 -32.154 17.209 -4.954 196 HD13 LEU 6 HD13 LEU 6 -30.736 17.892 -5.765 197 HD21 LEU 6 HD21 LEU 6 -34.645 18.068 -7.466 198 HD22 LEU 6 HD22 LEU 6 -34.337 17.422 -5.858 199 HD23 LEU 6 HD23 LEU 6 -34.235 19.171 -6.126 200 H CYS 7 H CYS 7 -34.240 20.795 -10.515 201 HA CYS 7 HA CYS 7 -32.428 22.874 -11.389 202 HB2 CYS 7 HB2 CYS 7 -35.450 22.816 -11.104 203 HB3 CYS 7 HB3 CYS 7 -34.550 24.058 -11.966 204 H GLY 8 H GLY 8 -31.928 24.777 -10.499 205 HA2 GLY 8 HA2 GLY 8 -31.880 26.643 -9.120 206 HA3 GLY 8 HA3 GLY 8 -33.561 26.606 -9.613 207 H SER 9 H SER 9 -35.089 26.608 -8.050 208 HA SER 9 HA SER 9 -34.498 27.202 -5.339 209 HB2 SER 9 HB2 SER 9 -36.959 26.879 -5.036 210 HB3 SER 9 HB3 SER 9 -36.544 27.917 -6.407 211 HG SER 9 HG SER 9 -37.508 25.241 -6.445 212 H HIS 10 H HIS 10 -35.352 24.120 -6.917 213 HA HIS 10 HA HIS 10 -35.776 22.738 -4.389 214 HB2 HIS 10 HB2 HIS 10 -35.431 21.532 -7.147 215 HB3 HIS 10 HB3 HIS 10 -36.227 20.816 -5.743 216 HD2 HIS 10 HD2 HIS 10 -37.647 21.301 -8.636 217 HE1 HIS 10 HE1 HIS 10 -40.094 24.049 -6.483 218 HE2 HIS 10 HE2 HIS 10 -39.907 22.647 -8.602 219 H LEU 11 H LEU 11 -33.052 23.197 -6.582 220 HA LEU 11 HA LEU 11 -31.312 21.265 -5.303 221 HB2 LEU 11 HB2 LEU 11 -30.889 22.076 -7.568 222 HB3 LEU 11 HB3 LEU 11 -30.693 23.723 -6.984 223 HG LEU 11 HG LEU 11 -28.648 23.124 -5.786 224 HD11 LEU 11 HD11 LEU 11 -27.609 20.876 -6.062 225 HD12 LEU 11 HD12 LEU 11 -29.092 20.795 -5.118 226 HD13 LEU 11 HD13 LEU 11 -29.104 20.290 -6.826 227 HD21 LEU 11 HD21 LEU 11 -28.522 23.734 -8.174 228 HD22 LEU 11 HD22 LEU 11 -27.249 22.563 -7.743 229 HD23 LEU 11 HD23 LEU 11 -28.691 22.025 -8.626 230 H VAL 12 H VAL 12 -31.671 24.876 -4.856 231 HA VAL 12 HA VAL 12 -29.763 24.832 -2.674 232 HB VAL 12 HB VAL 12 -30.519 27.050 -2.061 233 HG11 VAL 12 HG11 VAL 12 -30.154 26.734 -5.067 234 HG12 VAL 12 HG12 VAL 12 -29.809 28.179 -4.096 235 HG13 VAL 12 HG13 VAL 12 -28.852 26.709 -3.857 236 HG21 VAL 12 HG21 VAL 12 -32.942 26.895 -2.563 237 HG22 VAL 12 HG22 VAL 12 -32.178 28.277 -3.360 238 HG23 VAL 12 HG23 VAL 12 -32.557 26.822 -4.299 239 H GLU 13 H GLU 13 -33.276 24.252 -2.706 240 HA GLU 13 HA GLU 13 -33.509 24.127 0.154 241 HB2 GLU 13 HB2 GLU 13 -35.383 24.246 -1.612 242 HB3 GLU 13 HB3 GLU 13 -35.098 22.531 -1.887 243 HG2 GLU 13 HG2 GLU 13 -36.880 22.544 -0.386 244 HG3 GLU 13 HG3 GLU 13 -35.503 22.251 0.678 245 HE2 GLU 13 HE2 GLU 13 -36.079 25.928 1.386 246 H ALA 14 H ALA 14 -32.627 21.593 -2.281 247 HA ALA 14 HA ALA 14 -32.330 19.501 -0.326 248 HB1 ALA 14 HB1 ALA 14 -31.186 18.320 -2.148 249 HB2 ALA 14 HB2 ALA 14 -32.672 19.097 -2.729 250 HB3 ALA 14 HB3 ALA 14 -31.085 19.830 -3.079 251 H LEU 15 H LEU 15 -30.051 21.967 -1.562 252 HA LEU 15 HA LEU 15 -27.770 20.962 -0.086 253 HB2 LEU 15 HB2 LEU 15 -28.394 23.691 -1.263 254 HB3 LEU 15 HB3 LEU 15 -26.864 23.258 -0.521 255 HG LEU 15 HG LEU 15 -27.954 21.797 -2.953 256 HD11 LEU 15 HD11 LEU 15 -25.857 23.998 -2.798 257 HD12 LEU 15 HD12 LEU 15 -26.344 23.095 -4.252 258 HD13 LEU 15 HD13 LEU 15 -27.499 24.183 -3.458 259 HD21 LEU 15 HD21 LEU 15 -26.325 20.469 -1.698 260 HD22 LEU 15 HD22 LEU 15 -25.589 21.067 -3.181 261 HD23 LEU 15 HD23 LEU 15 -25.208 21.849 -1.628 262 H TYR 16 H TYR 16 -30.604 22.616 1.070 263 HA TYR 16 HA TYR 16 -29.272 22.976 3.705 264 HB2 TYR 16 HB2 TYR 16 -30.996 24.559 3.208 265 HB3 TYR 16 HB3 TYR 16 -32.133 23.297 2.785 266 HD1 TYR 16 HD1 TYR 16 -33.840 24.158 4.211 267 HD2 TYR 16 HD2 TYR 16 -30.023 23.009 5.881 268 HE1 TYR 16 HE1 TYR 16 -34.805 24.260 6.497 269 HE2 TYR 16 HE2 TYR 16 -31.006 23.102 8.159 270 HH TYR 16 HH TYR 16 -34.395 24.036 8.732 271 H LEU 17 H LEU 17 -31.934 20.947 2.398 272 HA LEU 17 HA LEU 17 -32.240 19.423 4.717 273 HB2 LEU 17 HB2 LEU 17 -32.924 18.789 1.824 274 HB3 LEU 17 HB3 LEU 17 -33.545 17.868 3.185 275 HG LEU 17 HG LEU 17 -34.047 20.865 2.888 276 HD11 LEU 17 HD11 LEU 17 -35.784 18.527 2.003 277 HD12 LEU 17 HD12 LEU 17 -36.261 20.237 2.008 278 HD13 LEU 17 HD13 LEU 17 -34.961 19.687 0.934 279 HD21 LEU 17 HD21 LEU 17 -34.391 19.980 5.163 280 HD22 LEU 17 HD22 LEU 17 -35.932 20.404 4.409 281 HD23 LEU 17 HD23 LEU 17 -35.440 18.700 4.517 282 H VAL 18 H VAL 18 -30.140 18.588 1.965 283 HA VAL 18 HA VAL 18 -29.507 15.929 3.125 284 HB VAL 18 HB VAL 18 -28.518 17.292 0.584 285 HG11 VAL 18 HG11 VAL 18 -28.272 14.397 1.484 286 HG12 VAL 18 HG12 VAL 18 -27.873 15.007 -0.138 287 HG13 VAL 18 HG13 VAL 18 -26.941 15.550 1.260 288 HG21 VAL 18 HG21 VAL 18 -30.938 16.861 0.448 289 HG22 VAL 18 HG22 VAL 18 -30.066 15.725 -0.582 290 HG23 VAL 18 HG23 VAL 18 -30.692 15.187 0.996 291 H CYS 19 H CYS 19 -28.084 19.128 2.869 292 HA CYS 19 HA CYS 19 -25.350 18.313 3.431 293 HB2 CYS 19 HB2 CYS 19 -26.373 20.356 2.155 294 HB3 CYS 19 HB3 CYS 19 -26.520 21.082 3.751 295 H GLY 20 H GLY 20 -28.038 19.684 5.345 296 HA2 GLY 20 HA2 GLY 20 -28.399 19.871 7.597 297 HA3 GLY 20 HA3 GLY 20 -27.453 18.389 7.721 298 H GLU 21 H GLU 21 -25.565 18.478 8.751 299 HA GLU 21 HA GLU 21 -25.219 20.667 10.560 300 HB2 GLU 21 HB2 GLU 21 -23.465 18.198 10.337 301 HB3 GLU 21 HB3 GLU 21 -23.752 19.191 11.763 302 HG2 GLU 21 HG2 GLU 21 -25.725 17.295 10.423 303 HG3 GLU 21 HG3 GLU 21 -24.928 17.087 11.973 304 HE2 GLU 21 HE2 GLU 21 -28.217 18.261 12.663 305 H ARG 22 H ARG 22 -24.385 21.434 7.880 306 HA ARG 22 HA ARG 22 -21.580 22.381 8.418 307 HB2 ARG 22 HB2 ARG 22 -22.656 21.112 5.867 308 HB3 ARG 22 HB3 ARG 22 -21.147 22.007 5.938 309 HG2 ARG 22 HG2 ARG 22 -19.976 20.314 6.842 310 HG3 ARG 22 HG3 ARG 22 -21.256 19.838 7.960 311 HD2 ARG 22 HD2 ARG 22 -22.486 18.707 6.191 312 HD3 ARG 22 HD3 ARG 22 -21.336 19.246 4.974 313 HE ARG 22 HE ARG 22 -21.068 17.005 6.795 314 HH11 ARG 22 HH11 ARG 22 -19.210 19.200 4.817 315 HH12 ARG 22 HH12 ARG 22 -18.099 17.940 4.348 316 HH21 ARG 22 HH21 ARG 22 -19.562 15.493 6.141 317 HH22 ARG 22 HH22 ARG 22 -18.339 15.951 5.030 318 H GLY 23 H GLY 23 -24.590 22.874 6.599 319 HA2 GLY 23 HA2 GLY 23 -25.358 24.761 5.418 320 HA3 GLY 23 HA3 GLY 23 -23.968 25.702 5.979 321 H PHE 24 H PHE 24 -24.417 26.060 3.389 322 HA PHE 24 HA PHE 24 -22.497 24.336 1.921 323 HB2 PHE 24 HB2 PHE 24 -23.997 23.926 0.147 324 HB3 PHE 24 HB3 PHE 24 -24.846 23.484 1.608 325 HD1 PHE 24 HD1 PHE 24 -26.733 24.890 2.455 326 HD2 PHE 24 HD2 PHE 24 -24.792 25.710 -1.296 327 HE1 PHE 24 HE1 PHE 24 -28.682 26.256 1.745 328 HE2 PHE 24 HE2 PHE 24 -26.740 27.081 -2.006 329 HZ PHE 24 HZ PHE 24 -28.685 27.359 -0.479 330 H PHE 25 H PHE 25 -21.913 25.218 -0.178 331 HA PHE 25 HA PHE 25 -22.234 28.171 -0.455 332 HB2 PHE 25 HB2 PHE 25 -19.782 26.549 -1.220 333 HB3 PHE 25 HB3 PHE 25 -20.014 28.272 -1.487 334 HD1 PHE 25 HD1 PHE 25 -20.480 29.756 0.631 335 HD2 PHE 25 HD2 PHE 25 -18.747 25.809 0.795 336 HE1 PHE 25 HE1 PHE 25 -19.561 30.249 2.880 337 HE2 PHE 25 HE2 PHE 25 -17.827 26.310 3.042 338 HZ PHE 25 HZ PHE 25 -18.231 28.530 4.089 339 H TYR 26 H TYR 26 -22.310 28.948 -2.658 340 HA TYR 26 HA TYR 26 -22.752 26.951 -4.781 341 HB2 TYR 26 HB2 TYR 26 -24.960 27.442 -3.603 342 HB3 TYR 26 HB3 TYR 26 -24.832 29.088 -4.210 343 HD1 TYR 26 HD1 TYR 26 -25.334 25.540 -5.053 344 HD2 TYR 26 HD2 TYR 26 -25.106 29.542 -6.656 345 HE1 TYR 26 HE1 TYR 26 -26.335 24.743 -7.181 346 HE2 TYR 26 HE2 TYR 26 -26.085 28.729 -8.802 347 HH TYR 26 HH TYR 26 -27.311 25.432 -9.188 348 H THR 27 H THR 27 -22.508 27.816 -6.897 349 HA THR 27 HA THR 27 -20.515 29.971 -6.878 350 HB THR 27 HB THR 27 -20.052 29.236 -9.171 351 HG1 THR 27 HG1 THR 27 -22.340 28.560 -9.351 352 HG21 THR 27 HG21 THR 27 -20.268 26.844 -7.289 353 HG22 THR 27 HG22 THR 27 -19.166 27.033 -8.667 354 HG23 THR 27 HG23 THR 27 -18.975 28.061 -7.237 355 HA PRO 28 HA PRO 28 -23.374 32.885 -8.946 356 HB2 PRO 28 HB2 PRO 28 -20.999 34.695 -8.676 357 HB3 PRO 28 HB3 PRO 28 -22.708 35.000 -8.244 358 HG2 PRO 28 HG2 PRO 28 -20.854 34.542 -6.317 359 HG3 PRO 28 HG3 PRO 28 -22.482 33.791 -6.196 360 HD2 PRO 28 HD2 PRO 28 -19.932 32.550 -7.299 361 HD3 PRO 28 HD3 PRO 28 -21.049 31.909 -6.059 362 H LYS 29 H LYS 29 -22.970 34.458 -10.814 363 HA LYS 29 HA LYS 29 -20.612 34.277 -12.442 364 HB2 LYS 29 HB2 LYS 29 -22.224 32.308 -13.197 365 HB3 LYS 29 HB3 LYS 29 -23.215 33.609 -13.867 366 HG2 LYS 29 HG2 LYS 29 -21.166 34.334 -15.211 367 HG3 LYS 29 HG3 LYS 29 -20.307 32.965 -14.538 368 HD2 LYS 29 HD2 LYS 29 -21.031 32.379 -16.751 369 HD3 LYS 29 HD3 LYS 29 -21.937 31.420 -15.587 370 HE2 LYS 29 HE2 LYS 29 -23.488 32.059 -17.267 371 HE3 LYS 29 HE3 LYS 29 -23.868 33.050 -15.850 372 HZ1 LYS 29 HZ1 LYS 29 -23.849 34.390 -17.875 373 HZ2 LYS 29 HZ2 LYS 29 -22.773 34.904 -16.844 374 HZ3 LYS 29 HZ3 LYS 29 -22.230 34.077 -18.120 375 H ALA 30 H ALA 30 -20.626 36.055 -13.978 376 HA ALA 30 HA ALA 30 -23.023 37.820 -14.055 377 HB1 ALA 30 HB1 ALA 30 -20.250 38.193 -15.297 378 HB2 ALA 30 HB2 ALA 30 -21.640 39.271 -15.508 379 HB3 ALA 30 HB3 ALA 30 -20.898 39.098 -13.904 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -23.259 26.224 -12.900 2 H2 GLY 1 H2 GLY 1 -21.641 25.975 -13.025 3 H3 GLY 1 H3 GLY 1 -22.233 27.124 -11.989 4 HA2 GLY 1 HA2 GLY 1 -21.553 25.155 -10.750 5 HA3 GLY 1 HA3 GLY 1 -23.305 25.455 -10.651 6 H ILE 2 H ILE 2 -21.599 22.900 -10.564 7 HA ILE 2 HA ILE 2 -21.464 21.558 -12.920 8 HB ILE 2 HB ILE 2 -20.347 20.874 -10.902 9 HG12 ILE 2 HG12 ILE 2 -20.691 18.406 -10.938 10 HG13 ILE 2 HG13 ILE 2 -22.120 18.623 -11.945 11 HG21 ILE 2 HG21 ILE 2 -22.193 21.259 -9.228 12 HG22 ILE 2 HG22 ILE 2 -22.949 19.742 -9.794 13 HG23 ILE 2 HG23 ILE 2 -21.353 19.723 -9.050 14 HD11 ILE 2 HD11 ILE 2 -20.097 18.000 -13.239 15 HD12 ILE 2 HD12 ILE 2 -20.717 19.579 -13.746 16 HD13 ILE 2 HD13 ILE 2 -19.283 19.479 -12.691 17 H VAL 3 H VAL 3 -24.279 21.191 -10.741 18 HA VAL 3 HA VAL 3 -25.627 19.243 -12.161 19 HB VAL 3 HB VAL 3 -26.105 19.985 -9.876 20 HG11 VAL 3 HG11 VAL 3 -26.093 22.457 -10.196 21 HG12 VAL 3 HG12 VAL 3 -27.617 22.334 -11.105 22 HG13 VAL 3 HG13 VAL 3 -27.564 21.880 -9.397 23 HG21 VAL 3 HG21 VAL 3 -28.457 19.563 -9.853 24 HG22 VAL 3 HG22 VAL 3 -28.660 20.137 -11.516 25 HG23 VAL 3 HG23 VAL 3 -27.779 18.638 -11.203 26 H GLU 4 H GLU 4 -25.390 22.568 -13.214 27 HA GLU 4 HA GLU 4 -28.042 22.901 -14.149 28 HB2 GLU 4 HB2 GLU 4 -25.470 24.310 -14.960 29 HB3 GLU 4 HB3 GLU 4 -27.089 24.839 -15.435 30 HG2 GLU 4 HG2 GLU 4 -27.740 25.167 -13.101 31 HG3 GLU 4 HG3 GLU 4 -26.179 24.556 -12.534 32 HE2 GLU 4 HE2 GLU 4 -26.360 28.213 -14.141 33 H GLN 5 H GLN 5 -25.350 21.388 -15.913 34 HA GLN 5 HA GLN 5 -27.058 21.205 -18.358 35 HB2 GLN 5 HB2 GLN 5 -24.180 20.468 -17.759 36 HB3 GLN 5 HB3 GLN 5 -25.008 19.938 -19.232 37 HG2 GLN 5 HG2 GLN 5 -25.415 22.190 -19.966 38 HG3 GLN 5 HG3 GLN 5 -24.909 22.873 -18.423 39 HE21 GLN 5 HE21 GLN 5 -22.100 22.655 -21.149 40 HE22 GLN 5 HE22 GLN 5 -23.822 22.704 -21.528 41 H CYS 6 H CYS 6 -25.959 19.219 -15.640 42 HA CYS 6 HA CYS 6 -26.937 16.699 -16.622 43 HB2 CYS 6 HB2 CYS 6 -25.299 17.143 -14.717 44 HB3 CYS 6 HB3 CYS 6 -26.700 17.619 -13.742 45 H CYS 7 H CYS 7 -28.571 19.504 -15.265 46 HA CYS 7 HA CYS 7 -31.094 18.448 -14.615 47 HB2 CYS 7 HB2 CYS 7 -30.226 21.062 -15.903 48 HB3 CYS 7 HB3 CYS 7 -31.879 20.749 -15.406 49 H ALA 8 H ALA 8 -29.681 18.651 -17.856 50 HA ALA 8 HA ALA 8 -32.317 18.235 -19.160 51 HB1 ALA 8 HB1 ALA 8 -29.492 18.464 -20.290 52 HB2 ALA 8 HB2 ALA 8 -31.000 18.402 -21.227 53 HB3 ALA 8 HB3 ALA 8 -30.677 19.789 -20.165 54 H SER 9 H SER 9 -29.416 16.426 -18.273 55 HA SER 9 HA SER 9 -30.678 13.845 -18.988 56 HB2 SER 9 HB2 SER 9 -27.923 14.716 -19.958 57 HB3 SER 9 HB3 SER 9 -28.573 13.069 -20.052 58 HG SER 9 HG SER 9 -28.838 14.276 -22.002 59 H VAL 10 H VAL 10 -30.644 12.861 -17.032 60 HA VAL 10 HA VAL 10 -28.976 13.716 -14.916 61 HB VAL 10 HB VAL 10 -29.940 11.896 -13.592 62 HG11 VAL 10 HG11 VAL 10 -32.211 12.715 -13.616 63 HG12 VAL 10 HG12 VAL 10 -31.118 14.063 -13.940 64 HG13 VAL 10 HG13 VAL 10 -32.034 13.334 -15.272 65 HG21 VAL 10 HG21 VAL 10 -30.115 10.128 -15.331 66 HG22 VAL 10 HG22 VAL 10 -31.647 10.408 -14.496 67 HG23 VAL 10 HG23 VAL 10 -31.402 11.049 -16.134 68 H CYS 11 H CYS 11 -27.471 12.675 -13.643 69 HA CYS 11 HA CYS 11 -25.537 11.066 -15.239 70 HB2 CYS 11 HB2 CYS 11 -24.827 13.200 -13.211 71 HB3 CYS 11 HB3 CYS 11 -23.849 12.530 -14.520 72 H SER 12 H SER 12 -23.617 10.315 -13.750 73 HA SER 12 HA SER 12 -24.518 8.515 -11.695 74 HB2 SER 12 HB2 SER 12 -21.728 9.699 -11.877 75 HB3 SER 12 HB3 SER 12 -22.212 8.139 -11.199 76 HG SER 12 HG SER 12 -22.051 8.976 -13.882 77 H LEU 13 H LEU 13 -24.519 8.776 -9.400 78 HA LEU 13 HA LEU 13 -25.314 11.245 -8.506 79 HB2 LEU 13 HB2 LEU 13 -24.972 10.329 -6.154 80 HB3 LEU 13 HB3 LEU 13 -26.084 9.543 -7.252 81 HG LEU 13 HG LEU 13 -24.538 7.703 -7.650 82 HD11 LEU 13 HD11 LEU 13 -22.501 7.479 -6.157 83 HD12 LEU 13 HD12 LEU 13 -22.361 8.634 -7.476 84 HD13 LEU 13 HD13 LEU 13 -22.647 9.223 -5.819 85 HD21 LEU 13 HD21 LEU 13 -24.604 6.715 -5.412 86 HD22 LEU 13 HD22 LEU 13 -24.883 8.321 -4.691 87 HD23 LEU 13 HD23 LEU 13 -26.097 7.595 -5.758 88 H TYR 14 H TYR 14 -21.894 10.307 -8.516 89 HA TYR 14 HA TYR 14 -21.108 12.683 -6.978 90 HB2 TYR 14 HB2 TYR 14 -18.783 11.946 -7.858 91 HB3 TYR 14 HB3 TYR 14 -19.613 10.994 -6.651 92 HD1 TYR 14 HD1 TYR 14 -19.904 8.695 -6.936 93 HD2 TYR 14 HD2 TYR 14 -19.027 11.149 -10.365 94 HE1 TYR 14 HE1 TYR 14 -19.757 6.655 -8.349 95 HE2 TYR 14 HE2 TYR 14 -18.898 9.091 -11.791 96 HH TYR 14 HH TYR 14 -19.210 5.824 -10.452 97 H GLN 15 H GLN 15 -21.827 12.097 -10.337 98 HA GLN 15 HA GLN 15 -20.491 14.559 -11.314 99 HB2 GLN 15 HB2 GLN 15 -22.457 12.622 -12.597 100 HB3 GLN 15 HB3 GLN 15 -21.786 14.026 -13.410 101 HG2 GLN 15 HG2 GLN 15 -19.591 13.116 -13.463 102 HG3 GLN 15 HG3 GLN 15 -19.974 11.860 -12.292 103 HE21 GLN 15 HE21 GLN 15 -20.035 10.522 -15.870 104 HE22 GLN 15 HE22 GLN 15 -18.901 11.652 -15.141 105 H LEU 16 H LEU 16 -23.694 13.392 -10.295 106 HA LEU 16 HA LEU 16 -25.110 15.856 -10.817 107 HB2 LEU 16 HB2 LEU 16 -26.056 13.550 -10.717 108 HB3 LEU 16 HB3 LEU 16 -25.720 13.479 -9.002 109 HG LEU 16 HG LEU 16 -28.081 13.803 -9.571 110 HD11 LEU 16 HD11 LEU 16 -27.167 16.299 -8.134 111 HD12 LEU 16 HD12 LEU 16 -28.663 15.388 -7.935 112 HD13 LEU 16 HD13 LEU 16 -27.138 14.672 -7.390 113 HD21 LEU 16 HD21 LEU 16 -27.864 15.195 -11.567 114 HD22 LEU 16 HD22 LEU 16 -28.923 15.958 -10.376 115 HD23 LEU 16 HD23 LEU 16 -27.260 16.547 -10.577 116 H GLU 17 H GLU 17 -23.675 14.434 -7.857 117 HA GLU 17 HA GLU 17 -23.624 17.119 -6.558 118 HB2 GLU 17 HB2 GLU 17 -24.881 14.555 -5.654 119 HB3 GLU 17 HB3 GLU 17 -24.011 15.463 -4.427 120 HG2 GLU 17 HG2 GLU 17 -26.067 16.823 -6.201 121 HG3 GLU 17 HG3 GLU 17 -26.513 15.971 -4.733 122 HE2 GLU 17 HE2 GLU 17 -26.103 19.307 -3.673 123 H ASN 18 H ASN 18 -21.492 17.460 -6.986 124 HA ASN 18 HA ASN 18 -19.339 15.793 -6.067 125 HB2 ASN 18 HB2 ASN 18 -19.369 17.770 -7.729 126 HB3 ASN 18 HB3 ASN 18 -19.379 18.836 -6.322 127 HD21 ASN 18 HD21 ASN 18 -15.867 17.180 -5.863 128 HD22 ASN 18 HD22 ASN 18 -17.348 16.773 -4.987 129 H TYR 19 H TYR 19 -21.714 17.454 -4.232 130 HA TYR 19 HA TYR 19 -19.839 18.008 -1.977 131 HB2 TYR 19 HB2 TYR 19 -22.427 19.464 -2.545 132 HB3 TYR 19 HB3 TYR 19 -21.153 19.904 -1.422 133 HD1 TYR 19 HD1 TYR 19 -18.706 20.087 -2.649 134 HD2 TYR 19 HD2 TYR 19 -22.545 20.653 -4.536 135 HE1 TYR 19 HE1 TYR 19 -17.621 21.413 -4.449 136 HE2 TYR 19 HE2 TYR 19 -21.449 21.987 -6.343 137 HH TYR 19 HH TYR 19 -17.936 22.329 -6.540 138 H CYS 20 H CYS 20 -23.424 17.570 -2.187 139 HA CYS 20 HA CYS 20 -23.250 16.651 0.631 140 HB2 CYS 20 HB2 CYS 20 -25.578 17.730 -0.966 141 HB3 CYS 20 HB3 CYS 20 -25.582 17.385 0.753 142 H ASN 21 H ASN 21 -23.138 14.844 -1.955 143 HA ASN 21 HA ASN 21 -25.429 13.431 -2.478 144 HB2 ASN 21 HB2 ASN 21 -23.508 13.087 -3.872 145 HB3 ASN 21 HB3 ASN 21 -22.537 12.558 -2.498 146 HD21 ASN 21 HD21 ASN 21 -23.125 9.257 -3.459 147 HD22 ASN 21 HD22 ASN 21 -21.982 10.511 -2.970 148 H1 PHE 1 H1 PHE 1 -24.827 10.102 1.421 149 H2 PHE 1 H2 PHE 1 -26.418 9.665 1.764 150 H3 PHE 1 H3 PHE 1 -26.052 10.914 0.744 151 HA PHE 1 HA PHE 1 -25.093 9.540 -0.852 152 HB2 PHE 1 HB2 PHE 1 -24.171 7.746 0.348 153 HB3 PHE 1 HB3 PHE 1 -25.646 7.445 1.249 154 HD1 PHE 1 HD1 PHE 1 -24.037 6.989 -2.103 155 HD2 PHE 1 HD2 PHE 1 -27.305 5.918 0.504 156 HE1 PHE 1 HE1 PHE 1 -24.648 5.111 -3.618 157 HE2 PHE 1 HE2 PHE 1 -27.905 4.055 -1.011 158 HZ PHE 1 HZ PHE 1 -26.579 3.647 -3.072 159 H VAL 2 H VAL 2 -26.396 9.362 -2.559 160 HA VAL 2 HA VAL 2 -28.159 9.625 -3.839 161 HB VAL 2 HB VAL 2 -30.234 8.400 -3.609 162 HG11 VAL 2 HG11 VAL 2 -29.218 6.203 -4.025 163 HG12 VAL 2 HG12 VAL 2 -28.342 7.512 -4.828 164 HG13 VAL 2 HG13 VAL 2 -27.682 6.783 -3.346 165 HG21 VAL 2 HG21 VAL 2 -30.578 6.627 -2.037 166 HG22 VAL 2 HG22 VAL 2 -29.053 6.974 -1.205 167 HG23 VAL 2 HG23 VAL 2 -30.396 8.130 -1.123 168 H ASN 3 H ASN 3 -27.761 11.789 -3.054 169 HA ASN 3 HA ASN 3 -29.905 13.279 -1.845 170 HB2 ASN 3 HB2 ASN 3 -27.822 13.863 -3.982 171 HB3 ASN 3 HB3 ASN 3 -29.109 15.021 -3.668 172 HD21 ASN 3 HD21 ASN 3 -27.012 14.629 -0.282 173 HD22 ASN 3 HD22 ASN 3 -27.822 13.247 -0.886 174 H GLN 4 H GLN 4 -31.607 14.427 -2.809 175 HA GLN 4 HA GLN 4 -33.306 12.753 -4.301 176 HB2 GLN 4 HB2 GLN 4 -34.019 14.414 -2.621 177 HB3 GLN 4 HB3 GLN 4 -33.517 15.724 -3.685 178 HG2 GLN 4 HG2 GLN 4 -35.963 15.394 -3.692 179 HG3 GLN 4 HG3 GLN 4 -35.267 15.166 -5.295 180 HE21 GLN 4 HE21 GLN 4 -36.821 11.896 -3.360 181 HE22 GLN 4 HE22 GLN 4 -36.442 13.321 -2.398 182 H HIS 5 H HIS 5 -34.113 12.751 -6.300 183 HA HIS 5 HA HIS 5 -32.353 13.102 -8.477 184 HB2 HIS 5 HB2 HIS 5 -34.113 11.362 -8.068 185 HB3 HIS 5 HB3 HIS 5 -35.357 12.568 -8.368 186 HD2 HIS 5 HD2 HIS 5 -35.914 13.141 -10.904 187 HE1 HIS 5 HE1 HIS 5 -33.239 10.358 -12.708 188 HE2 HIS 5 HE2 HIS 5 -35.156 11.987 -13.144 189 H LEU 6 H LEU 6 -34.378 15.562 -7.203 190 HA LEU 6 HA LEU 6 -35.266 16.654 -9.767 191 HB2 LEU 6 HB2 LEU 6 -35.352 17.835 -6.962 192 HB3 LEU 6 HB3 LEU 6 -36.139 18.524 -8.375 193 HG LEU 6 HG LEU 6 -36.820 15.829 -7.118 194 HD11 LEU 6 HD11 LEU 6 -38.335 18.476 -7.173 195 HD12 LEU 6 HD12 LEU 6 -38.895 16.955 -6.446 196 HD13 LEU 6 HD13 LEU 6 -37.489 17.789 -5.768 197 HD21 LEU 6 HD21 LEU 6 -37.300 15.759 -9.527 198 HD22 LEU 6 HD22 LEU 6 -38.805 15.897 -8.620 199 HD23 LEU 6 HD23 LEU 6 -38.137 17.329 -9.432 200 H CYS 7 H CYS 7 -34.222 18.057 -11.055 201 HA CYS 7 HA CYS 7 -31.904 19.641 -10.280 202 HB2 CYS 7 HB2 CYS 7 -32.396 19.117 -12.607 203 HB3 CYS 7 HB3 CYS 7 -33.990 19.849 -12.489 204 H GLY 8 H GLY 8 -35.370 19.992 -9.813 205 HA2 GLY 8 HA2 GLY 8 -35.532 22.831 -9.718 206 HA3 GLY 8 HA3 GLY 8 -36.757 21.705 -9.133 207 H SER 9 H SER 9 -35.984 24.225 -8.041 208 HA SER 9 HA SER 9 -34.181 24.595 -6.130 209 HB2 SER 9 HB2 SER 9 -35.784 26.288 -6.758 210 HB3 SER 9 HB3 SER 9 -37.114 25.365 -6.044 211 HG SER 9 HG SER 9 -34.994 26.653 -4.663 212 H HIS 10 H HIS 10 -37.093 22.645 -5.437 213 HA HIS 10 HA HIS 10 -37.185 22.592 -2.712 214 HB2 HIS 10 HB2 HIS 10 -37.579 20.211 -4.564 215 HB3 HIS 10 HB3 HIS 10 -38.291 20.424 -2.962 216 HD2 HIS 10 HD2 HIS 10 -40.603 21.623 -2.870 217 HE1 HIS 10 HE1 HIS 10 -40.722 23.255 -6.807 218 HE2 HIS 10 HE2 HIS 10 -42.035 22.934 -4.646 219 H LEU 11 H LEU 11 -34.826 20.571 -4.611 220 HA LEU 11 HA LEU 11 -34.076 19.225 -2.136 221 HB2 LEU 11 HB2 LEU 11 -32.767 17.828 -3.267 222 HB3 LEU 11 HB3 LEU 11 -34.015 18.184 -4.429 223 HG LEU 11 HG LEU 11 -32.036 17.937 -5.598 224 HD11 LEU 11 HD11 LEU 11 -32.422 20.952 -5.403 225 HD12 LEU 11 HD12 LEU 11 -31.607 20.061 -6.700 226 HD13 LEU 11 HD13 LEU 11 -33.320 19.803 -6.406 227 HD21 LEU 11 HD21 LEU 11 -30.436 18.184 -3.732 228 HD22 LEU 11 HD22 LEU 11 -29.929 18.942 -5.241 229 HD23 LEU 11 HD23 LEU 11 -30.522 19.952 -3.920 230 H VAL 12 H VAL 12 -32.796 22.080 -3.817 231 HA VAL 12 HA VAL 12 -30.496 22.181 -1.962 232 HB VAL 12 HB VAL 12 -29.909 24.280 -2.951 233 HG11 VAL 12 HG11 VAL 12 -30.428 22.197 -5.092 234 HG12 VAL 12 HG12 VAL 12 -29.197 23.469 -5.108 235 HG13 VAL 12 HG13 VAL 12 -29.096 22.162 -3.918 236 HG21 VAL 12 HG21 VAL 12 -32.160 25.153 -3.605 237 HG22 VAL 12 HG22 VAL 12 -30.972 25.215 -4.916 238 HG23 VAL 12 HG23 VAL 12 -32.201 23.942 -4.914 239 H GLU 13 H GLU 13 -33.747 23.506 -2.167 240 HA GLU 13 HA GLU 13 -33.520 25.266 0.083 241 HB2 GLU 13 HB2 GLU 13 -35.361 25.275 -1.608 242 HB3 GLU 13 HB3 GLU 13 -35.907 23.713 -1.003 243 HG2 GLU 13 HG2 GLU 13 -37.324 25.439 -0.100 244 HG3 GLU 13 HG3 GLU 13 -36.390 24.759 1.223 245 HE2 GLU 13 HE2 GLU 13 -36.208 28.249 1.697 246 H ALA 14 H ALA 14 -34.113 21.731 -0.127 247 HA ALA 14 HA ALA 14 -34.335 21.408 2.755 248 HB1 ALA 14 HB1 ALA 14 -34.102 19.017 2.230 249 HB2 ALA 14 HB2 ALA 14 -35.283 19.791 1.154 250 HB3 ALA 14 HB3 ALA 14 -33.656 19.402 0.555 251 H LEU 15 H LEU 15 -31.620 20.756 0.436 252 HA LEU 15 HA LEU 15 -29.700 20.090 2.431 253 HB2 LEU 15 HB2 LEU 15 -29.348 21.159 -0.377 254 HB3 LEU 15 HB3 LEU 15 -28.020 20.587 0.617 255 HG LEU 15 HG LEU 15 -30.372 18.836 -0.229 256 HD11 LEU 15 HD11 LEU 15 -28.953 19.597 -2.121 257 HD12 LEU 15 HD12 LEU 15 -27.517 18.976 -1.278 258 HD13 LEU 15 HD13 LEU 15 -28.789 17.864 -1.814 259 HD21 LEU 15 HD21 LEU 15 -29.347 17.982 1.822 260 HD22 LEU 15 HD22 LEU 15 -28.900 16.970 0.446 261 HD23 LEU 15 HD23 LEU 15 -27.729 18.125 1.097 262 H TYR 16 H TYR 16 -30.808 23.255 1.502 263 HA TYR 16 HA TYR 16 -29.000 25.042 2.471 264 HB2 TYR 16 HB2 TYR 16 -31.413 25.341 1.709 265 HB3 TYR 16 HB3 TYR 16 -31.928 24.875 3.304 266 HD1 TYR 16 HD1 TYR 16 -30.411 26.498 5.217 267 HD2 TYR 16 HD2 TYR 16 -31.925 27.506 1.295 268 HE1 TYR 16 HE1 TYR 16 -30.440 28.878 5.841 269 HE2 TYR 16 HE2 TYR 16 -31.964 29.909 1.949 270 HH TYR 16 HH TYR 16 -31.067 30.991 5.218 271 H LEU 17 H LEU 17 -31.109 23.000 4.475 272 HA LEU 17 HA LEU 17 -29.514 23.581 6.935 273 HB2 LEU 17 HB2 LEU 17 -32.214 22.175 6.750 274 HB3 LEU 17 HB3 LEU 17 -31.377 22.755 8.176 275 HG LEU 17 HG LEU 17 -31.635 25.120 6.791 276 HD11 LEU 17 HD11 LEU 17 -33.029 23.937 5.009 277 HD12 LEU 17 HD12 LEU 17 -34.211 23.560 6.262 278 HD13 LEU 17 HD13 LEU 17 -33.872 25.251 5.839 279 HD21 LEU 17 HD21 LEU 17 -32.265 24.770 9.136 280 HD22 LEU 17 HD22 LEU 17 -33.562 25.594 8.259 281 HD23 LEU 17 HD23 LEU 17 -33.709 23.862 8.634 282 H VAL 18 H VAL 18 -30.817 20.885 4.950 283 HA VAL 18 HA VAL 18 -29.893 18.819 6.684 284 HB VAL 18 HB VAL 18 -30.697 18.734 3.758 285 HG11 VAL 18 HG11 VAL 18 -31.088 16.310 4.090 286 HG12 VAL 18 HG12 VAL 18 -29.376 16.717 4.196 287 HG13 VAL 18 HG13 VAL 18 -30.301 16.410 5.682 288 HG21 VAL 18 HG21 VAL 18 -32.490 19.442 5.335 289 HG22 VAL 18 HG22 VAL 18 -32.816 17.851 4.644 290 HG23 VAL 18 HG23 VAL 18 -32.199 17.987 6.304 291 H CYS 19 H CYS 19 -28.109 20.552 4.182 292 HA CYS 19 HA CYS 19 -25.806 18.721 4.559 293 HB2 CYS 19 HB2 CYS 19 -26.559 19.558 2.307 294 HB3 CYS 19 HB3 CYS 19 -25.932 21.130 2.761 295 H GLY 20 H GLY 20 -26.898 20.195 6.764 296 HA2 GLY 20 HA2 GLY 20 -25.948 20.686 8.751 297 HA3 GLY 20 HA3 GLY 20 -24.384 20.901 7.974 298 H GLU 21 H GLU 21 -24.679 23.038 6.360 299 HA GLU 21 HA GLU 21 -25.073 25.202 8.429 300 HB2 GLU 21 HB2 GLU 21 -22.570 24.689 6.776 301 HB3 GLU 21 HB3 GLU 21 -22.752 25.829 8.103 302 HG2 GLU 21 HG2 GLU 21 -22.686 22.794 8.312 303 HG3 GLU 21 HG3 GLU 21 -21.435 23.921 8.808 304 HE2 GLU 21 HE2 GLU 21 -23.747 22.932 11.538 305 H ARG 22 H ARG 22 -25.820 24.678 5.187 306 HA ARG 22 HA ARG 22 -24.002 26.887 4.325 307 HB2 ARG 22 HB2 ARG 22 -23.491 25.509 2.430 308 HB3 ARG 22 HB3 ARG 22 -23.198 24.644 3.934 309 HG2 ARG 22 HG2 ARG 22 -24.971 23.152 3.598 310 HG3 ARG 22 HG3 ARG 22 -25.872 24.242 2.559 311 HD2 ARG 22 HD2 ARG 22 -24.912 22.342 1.297 312 HD3 ARG 22 HD3 ARG 22 -24.383 23.904 0.711 313 HE ARG 22 HE ARG 22 -22.766 21.962 2.324 314 HH11 ARG 22 HH11 ARG 22 -22.791 24.778 0.227 315 HH12 ARG 22 HH12 ARG 22 -21.065 24.941 0.227 316 HH21 ARG 22 HH21 ARG 22 -20.555 22.194 2.282 317 HH22 ARG 22 HH22 ARG 22 -19.812 23.434 1.316 318 H GLY 23 H GLY 23 -27.371 26.340 3.901 319 HA2 GLY 23 HA2 GLY 23 -28.826 27.304 2.302 320 HA3 GLY 23 HA3 GLY 23 -27.551 28.442 1.905 321 H PHE 24 H PHE 24 -28.095 28.251 -0.339 322 HA PHE 24 HA PHE 24 -27.367 25.660 -1.657 323 HB2 PHE 24 HB2 PHE 24 -28.877 26.336 -3.430 324 HB3 PHE 24 HB3 PHE 24 -29.697 26.318 -1.874 325 HD1 PHE 24 HD1 PHE 24 -30.690 28.316 -0.954 326 HD2 PHE 24 HD2 PHE 24 -28.267 28.524 -4.517 327 HE1 PHE 24 HE1 PHE 24 -31.431 30.657 -1.326 328 HE2 PHE 24 HE2 PHE 24 -29.005 30.867 -4.879 329 HZ PHE 24 HZ PHE 24 -30.586 31.935 -3.284 330 H PHE 25 H PHE 25 -25.803 28.515 -1.083 331 HA PHE 25 HA PHE 25 -25.178 29.209 -3.858 332 HB2 PHE 25 HB2 PHE 25 -24.011 31.145 -2.838 333 HB3 PHE 25 HB3 PHE 25 -25.714 31.013 -2.459 334 HD1 PHE 25 HD1 PHE 25 -22.279 30.627 -1.073 335 HD2 PHE 25 HD2 PHE 25 -26.499 30.764 -0.192 336 HE1 PHE 25 HE1 PHE 25 -21.770 30.821 1.345 337 HE2 PHE 25 HE2 PHE 25 -25.980 30.942 2.232 338 HZ PHE 25 HZ PHE 25 -23.620 30.969 3.000 339 H TYR 26 H TYR 26 -23.040 29.777 -4.538 340 HA TYR 26 HA TYR 26 -21.064 27.633 -3.986 341 HB2 TYR 26 HB2 TYR 26 -21.164 29.643 -6.257 342 HB3 TYR 26 HB3 TYR 26 -20.130 28.221 -6.148 343 HD1 TYR 26 HD1 TYR 26 -22.178 26.123 -5.320 344 HD2 TYR 26 HD2 TYR 26 -22.344 29.302 -8.232 345 HE1 TYR 26 HE1 TYR 26 -23.817 24.818 -6.647 346 HE2 TYR 26 HE2 TYR 26 -24.006 27.991 -9.556 347 HH TYR 26 HH TYR 26 -25.479 25.084 -8.407 348 H THR 27 H THR 27 -19.252 29.948 -5.378 349 HA THR 27 HA THR 27 -18.124 31.219 -3.023 350 HB THR 27 HB THR 27 -17.176 32.785 -4.801 351 HG1 THR 27 HG1 THR 27 -18.726 32.557 -6.365 352 HG21 THR 27 HG21 THR 27 -16.720 29.814 -5.322 353 HG22 THR 27 HG22 THR 27 -15.650 31.154 -5.784 354 HG23 THR 27 HG23 THR 27 -15.907 30.786 -4.069 355 HA PRO 28 HA PRO 28 -21.239 34.379 -2.582 356 HB2 PRO 28 HB2 PRO 28 -19.838 36.508 -1.578 357 HB3 PRO 28 HB3 PRO 28 -20.153 35.017 -0.636 358 HG2 PRO 28 HG2 PRO 28 -17.664 35.711 -2.236 359 HG3 PRO 28 HG3 PRO 28 -17.758 35.143 -0.536 360 HD2 PRO 28 HD2 PRO 28 -17.268 33.425 -2.573 361 HD3 PRO 28 HD3 PRO 28 -18.324 32.940 -1.212 362 H LYS 29 H LYS 29 -22.000 36.332 -3.453 363 HA LYS 29 HA LYS 29 -20.714 37.336 -5.956 364 HB2 LYS 29 HB2 LYS 29 -22.912 36.534 -6.345 365 HB3 LYS 29 HB3 LYS 29 -23.568 37.289 -4.907 366 HG2 LYS 29 HG2 LYS 29 -22.446 39.108 -7.041 367 HG3 LYS 29 HG3 LYS 29 -23.940 38.242 -7.382 368 HD2 LYS 29 HD2 LYS 29 -24.952 39.120 -5.282 369 HD3 LYS 29 HD3 LYS 29 -23.532 40.129 -5.016 370 HE2 LYS 29 HE2 LYS 29 -25.172 40.251 -7.581 371 HE3 LYS 29 HE3 LYS 29 -25.622 41.168 -6.132 372 HZ1 LYS 29 HZ1 LYS 29 -24.184 42.510 -7.640 373 HZ2 LYS 29 HZ2 LYS 29 -23.434 42.244 -6.190 374 HZ3 LYS 29 HZ3 LYS 29 -22.943 41.431 -7.402 375 H ALA 30 H ALA 30 -19.790 39.252 -5.934 376 HA ALA 30 HA ALA 30 -20.329 41.300 -3.848 377 HB1 ALA 30 HB1 ALA 30 -18.419 41.275 -6.238 378 HB2 ALA 30 HB2 ALA 30 -18.567 42.567 -5.031 379 HB3 ALA 30 HB3 ALA 30 -17.957 40.971 -4.542 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -20.771 26.880 -10.987 2 H2 GLY 1 H2 GLY 1 -19.749 25.777 -10.321 3 H3 GLY 1 H3 GLY 1 -20.184 27.134 -9.471 4 HA2 GLY 1 HA2 GLY 1 -21.355 25.093 -8.727 5 HA3 GLY 1 HA3 GLY 1 -22.403 26.445 -9.232 6 H ILE 2 H ILE 2 -22.857 23.452 -9.304 7 HA ILE 2 HA ILE 2 -22.462 22.474 -11.905 8 HB ILE 2 HB ILE 2 -22.670 21.153 -9.813 9 HG12 ILE 2 HG12 ILE 2 -24.145 19.287 -10.711 10 HG13 ILE 2 HG13 ILE 2 -24.546 20.307 -12.070 11 HG21 ILE 2 HG21 ILE 2 -24.800 20.591 -8.834 12 HG22 ILE 2 HG22 ILE 2 -24.633 22.342 -8.803 13 HG23 ILE 2 HG23 ILE 2 -25.685 21.558 -10.014 14 HD11 ILE 2 HD11 ILE 2 -22.130 20.397 -12.701 15 HD12 ILE 2 HD12 ILE 2 -21.739 19.403 -11.275 16 HD13 ILE 2 HD13 ILE 2 -22.724 18.730 -12.590 17 H VAL 3 H VAL 3 -25.174 24.327 -10.776 18 HA VAL 3 HA VAL 3 -27.300 23.120 -11.222 19 HB VAL 3 HB VAL 3 -27.355 25.377 -10.546 20 HG11 VAL 3 HG11 VAL 3 -27.268 26.307 -13.447 21 HG12 VAL 3 HG12 VAL 3 -27.429 27.301 -11.999 22 HG13 VAL 3 HG13 VAL 3 -25.914 26.443 -12.298 23 HG21 VAL 3 HG21 VAL 3 -29.313 25.051 -12.853 24 HG22 VAL 3 HG22 VAL 3 -29.460 24.257 -11.271 25 HG23 VAL 3 HG23 VAL 3 -29.511 26.035 -11.398 26 H GLU 4 H GLU 4 -26.252 24.633 -14.363 27 HA GLU 4 HA GLU 4 -28.491 23.435 -15.680 28 HB2 GLU 4 HB2 GLU 4 -26.518 25.370 -16.322 29 HB3 GLU 4 HB3 GLU 4 -26.293 24.084 -17.504 30 HG2 GLU 4 HG2 GLU 4 -27.880 25.696 -18.374 31 HG3 GLU 4 HG3 GLU 4 -28.741 24.192 -18.050 32 HE2 GLU 4 HE2 GLU 4 -30.821 26.778 -16.766 33 H GLN 5 H GLN 5 -25.403 22.053 -14.904 34 HA GLN 5 HA GLN 5 -25.709 19.821 -16.817 35 HB2 GLN 5 HB2 GLN 5 -23.610 20.173 -14.660 36 HB3 GLN 5 HB3 GLN 5 -23.543 19.111 -16.062 37 HG2 GLN 5 HG2 GLN 5 -23.359 22.156 -16.064 38 HG3 GLN 5 HG3 GLN 5 -22.052 21.018 -16.332 39 HE21 GLN 5 HE21 GLN 5 -23.042 22.146 -19.686 40 HE22 GLN 5 HE22 GLN 5 -22.280 22.893 -18.277 41 H CYS 6 H CYS 6 -27.696 20.298 -14.626 42 HA CYS 6 HA CYS 6 -27.854 17.602 -13.487 43 HB2 CYS 6 HB2 CYS 6 -26.217 18.681 -12.063 44 HB3 CYS 6 HB3 CYS 6 -27.288 20.041 -11.762 45 H CYS 7 H CYS 7 -29.211 20.876 -13.728 46 HA CYS 7 HA CYS 7 -32.004 20.045 -13.482 47 HB2 CYS 7 HB2 CYS 7 -31.208 22.353 -13.128 48 HB3 CYS 7 HB3 CYS 7 -30.583 22.399 -14.767 49 H ALA 8 H ALA 8 -31.240 17.998 -14.714 50 HA ALA 8 HA ALA 8 -31.714 18.042 -17.605 51 HB1 ALA 8 HB1 ALA 8 -28.924 17.534 -16.436 52 HB2 ALA 8 HB2 ALA 8 -29.381 17.436 -18.158 53 HB3 ALA 8 HB3 ALA 8 -29.399 18.991 -17.332 54 H SER 9 H SER 9 -29.844 15.607 -17.646 55 HA SER 9 HA SER 9 -31.608 13.507 -16.529 56 HB2 SER 9 HB2 SER 9 -28.917 13.421 -17.951 57 HB3 SER 9 HB3 SER 9 -29.766 11.990 -17.331 58 HG SER 9 HG SER 9 -30.902 13.850 -19.151 59 H VAL 10 H VAL 10 -30.591 11.864 -15.107 60 HA VAL 10 HA VAL 10 -30.051 12.828 -12.608 61 HB VAL 10 HB VAL 10 -29.189 10.493 -12.082 62 HG11 VAL 10 HG11 VAL 10 -31.875 10.780 -13.483 63 HG12 VAL 10 HG12 VAL 10 -31.415 9.515 -12.321 64 HG13 VAL 10 HG13 VAL 10 -31.504 11.203 -11.801 65 HG21 VAL 10 HG21 VAL 10 -28.366 9.847 -14.374 66 HG22 VAL 10 HG22 VAL 10 -29.542 8.720 -13.697 67 HG23 VAL 10 HG23 VAL 10 -30.044 9.866 -14.951 68 H CYS 11 H CYS 11 -28.535 14.351 -12.329 69 HA CYS 11 HA CYS 11 -25.709 13.962 -12.634 70 HB2 CYS 11 HB2 CYS 11 -25.779 15.706 -10.638 71 HB3 CYS 11 HB3 CYS 11 -26.186 16.144 -12.295 72 H SER 12 H SER 12 -24.256 12.984 -11.439 73 HA SER 12 HA SER 12 -24.917 10.871 -9.622 74 HB2 SER 12 HB2 SER 12 -22.176 12.126 -10.061 75 HB3 SER 12 HB3 SER 12 -22.538 10.484 -9.512 76 HG SER 12 HG SER 12 -22.979 11.615 -12.073 77 H LEU 13 H LEU 13 -23.714 10.586 -7.508 78 HA LEU 13 HA LEU 13 -24.715 12.102 -5.475 79 HB2 LEU 13 HB2 LEU 13 -22.110 10.528 -5.436 80 HB3 LEU 13 HB3 LEU 13 -22.992 11.120 -4.041 81 HG LEU 13 HG LEU 13 -25.010 9.746 -4.899 82 HD11 LEU 13 HD11 LEU 13 -22.783 8.466 -6.543 83 HD12 LEU 13 HD12 LEU 13 -24.279 7.622 -6.101 84 HD13 LEU 13 HD13 LEU 13 -24.381 9.038 -7.111 85 HD21 LEU 13 HD21 LEU 13 -23.745 9.147 -2.915 86 HD22 LEU 13 HD22 LEU 13 -24.132 7.684 -3.825 87 HD23 LEU 13 HD23 LEU 13 -22.489 8.368 -3.904 88 H TYR 14 H TYR 14 -21.185 12.374 -6.011 89 HA TYR 14 HA TYR 14 -20.871 14.930 -4.893 90 HB2 TYR 14 HB2 TYR 14 -18.620 14.740 -6.219 91 HB3 TYR 14 HB3 TYR 14 -18.975 13.624 -4.933 92 HD1 TYR 14 HD1 TYR 14 -19.215 11.308 -5.238 93 HD2 TYR 14 HD2 TYR 14 -18.832 13.925 -8.639 94 HE1 TYR 14 HE1 TYR 14 -18.860 9.328 -6.713 95 HE2 TYR 14 HE2 TYR 14 -18.490 11.934 -10.125 96 HH TYR 14 HH TYR 14 -18.257 8.642 -8.832 97 H GLN 15 H GLN 15 -22.393 14.394 -7.868 98 HA GLN 15 HA GLN 15 -21.447 16.959 -9.074 99 HB2 GLN 15 HB2 GLN 15 -23.387 14.880 -10.130 100 HB3 GLN 15 HB3 GLN 15 -22.943 16.369 -10.957 101 HG2 GLN 15 HG2 GLN 15 -20.625 15.666 -11.153 102 HG3 GLN 15 HG3 GLN 15 -20.911 14.226 -10.179 103 HE21 GLN 15 HE21 GLN 15 -20.998 13.310 -13.831 104 HE22 GLN 15 HE22 GLN 15 -19.819 14.224 -12.891 105 H LEU 16 H LEU 16 -24.407 15.440 -7.736 106 HA LEU 16 HA LEU 16 -25.925 17.949 -7.790 107 HB2 LEU 16 HB2 LEU 16 -26.838 15.610 -8.087 108 HB3 LEU 16 HB3 LEU 16 -26.522 15.322 -6.379 109 HG LEU 16 HG LEU 16 -28.453 17.398 -7.513 110 HD11 LEU 16 HD11 LEU 16 -30.180 15.875 -6.669 111 HD12 LEU 16 HD12 LEU 16 -29.168 15.071 -7.868 112 HD13 LEU 16 HD13 LEU 16 -28.935 14.726 -6.121 113 HD21 LEU 16 HD21 LEU 16 -27.780 18.177 -5.310 114 HD22 LEU 16 HD22 LEU 16 -29.370 17.452 -5.171 115 HD23 LEU 16 HD23 LEU 16 -27.950 16.534 -4.633 116 H GLU 17 H GLU 17 -24.709 15.817 -5.151 117 HA GLU 17 HA GLU 17 -24.889 17.972 -3.145 118 HB2 GLU 17 HB2 GLU 17 -24.017 15.062 -3.023 119 HB3 GLU 17 HB3 GLU 17 -23.920 16.153 -1.663 120 HG2 GLU 17 HG2 GLU 17 -26.022 15.765 -1.109 121 HG3 GLU 17 HG3 GLU 17 -26.587 16.407 -2.651 122 HE2 GLU 17 HE2 GLU 17 -26.500 12.495 -2.005 123 H ASN 18 H ASN 18 -23.428 19.035 -4.919 124 HA ASN 18 HA ASN 18 -20.792 18.305 -5.324 125 HB2 ASN 18 HB2 ASN 18 -22.476 19.840 -6.598 126 HB3 ASN 18 HB3 ASN 18 -21.853 21.145 -5.585 127 HD21 ASN 18 HD21 ASN 18 -18.986 19.573 -8.036 128 HD22 ASN 18 HD22 ASN 18 -19.931 18.444 -7.069 129 H TYR 19 H TYR 19 -21.464 18.867 -2.410 130 HA TYR 19 HA TYR 19 -18.796 19.755 -1.647 131 HB2 TYR 19 HB2 TYR 19 -21.120 21.040 -0.186 132 HB3 TYR 19 HB3 TYR 19 -19.426 21.434 -0.087 133 HD1 TYR 19 HD1 TYR 19 -18.537 23.218 -1.420 134 HD2 TYR 19 HD2 TYR 19 -22.459 21.638 -2.257 135 HE1 TYR 19 HE1 TYR 19 -18.995 25.150 -2.924 136 HE2 TYR 19 HE2 TYR 19 -22.890 23.539 -3.816 137 HH TYR 19 HH TYR 19 -20.804 26.318 -3.907 138 H CYS 20 H CYS 20 -21.098 17.401 -1.390 139 HA CYS 20 HA CYS 20 -20.943 17.017 1.566 140 HB2 CYS 20 HB2 CYS 20 -23.617 17.023 0.206 141 HB3 CYS 20 HB3 CYS 20 -23.234 17.215 1.890 142 H ASN 21 H ASN 21 -21.208 15.455 -1.531 143 HA ASN 21 HA ASN 21 -20.876 12.885 -0.320 144 HB2 ASN 21 HB2 ASN 21 -23.481 13.259 -0.536 145 HB3 ASN 21 HB3 ASN 21 -23.198 13.079 -2.272 146 HD21 ASN 21 HD21 ASN 21 -22.013 9.557 -1.284 147 HD22 ASN 21 HD22 ASN 21 -21.133 10.985 -1.869 148 H1 PHE 1 H1 PHE 1 -28.215 4.790 -1.331 149 H2 PHE 1 H2 PHE 1 -27.241 5.513 -0.201 150 H3 PHE 1 H3 PHE 1 -26.773 5.412 -1.784 151 HA PHE 1 HA PHE 1 -29.100 6.952 -0.869 152 HB2 PHE 1 HB2 PHE 1 -27.075 7.987 -0.019 153 HB3 PHE 1 HB3 PHE 1 -26.270 7.813 -1.576 154 HD1 PHE 1 HD1 PHE 1 -26.570 9.411 -3.334 155 HD2 PHE 1 HD2 PHE 1 -29.042 9.609 0.205 156 HE1 PHE 1 HE1 PHE 1 -27.532 11.546 -4.125 157 HE2 PHE 1 HE2 PHE 1 -29.992 11.755 -0.594 158 HZ PHE 1 HZ PHE 1 -29.248 12.721 -2.759 159 H VAL 2 H VAL 2 -29.981 8.339 -2.670 160 HA VAL 2 HA VAL 2 -29.036 7.740 -5.358 161 HB VAL 2 HB VAL 2 -31.288 7.407 -6.297 162 HG11 VAL 2 HG11 VAL 2 -29.742 5.501 -5.955 163 HG12 VAL 2 HG12 VAL 2 -30.518 5.171 -4.388 164 HG13 VAL 2 HG13 VAL 2 -31.448 5.038 -5.893 165 HG21 VAL 2 HG21 VAL 2 -33.130 6.552 -4.930 166 HG22 VAL 2 HG22 VAL 2 -32.198 6.831 -3.444 167 HG23 VAL 2 HG23 VAL 2 -32.718 8.199 -4.454 168 H ASN 3 H ASN 3 -29.155 9.417 -6.655 169 HA ASN 3 HA ASN 3 -29.569 12.010 -5.611 170 HB2 ASN 3 HB2 ASN 3 -29.041 10.900 -8.401 171 HB3 ASN 3 HB3 ASN 3 -29.099 12.622 -8.060 172 HD21 ASN 3 HD21 ASN 3 -25.958 12.746 -6.558 173 HD22 ASN 3 HD22 ASN 3 -27.361 13.592 -7.140 174 H GLN 4 H GLN 4 -30.786 13.751 -6.802 175 HA GLN 4 HA GLN 4 -33.643 12.954 -7.051 176 HB2 GLN 4 HB2 GLN 4 -32.493 15.233 -5.391 177 HB3 GLN 4 HB3 GLN 4 -34.203 14.845 -5.581 178 HG2 GLN 4 HG2 GLN 4 -32.096 13.096 -4.216 179 HG3 GLN 4 HG3 GLN 4 -33.350 14.036 -3.423 180 HE21 GLN 4 HE21 GLN 4 -34.329 10.352 -4.296 181 HE22 GLN 4 HE22 GLN 4 -32.669 10.895 -4.041 182 H HIS 5 H HIS 5 -34.927 14.218 -8.297 183 HA HIS 5 HA HIS 5 -33.314 15.034 -10.569 184 HB2 HIS 5 HB2 HIS 5 -36.214 14.178 -10.595 185 HB3 HIS 5 HB3 HIS 5 -34.991 13.997 -11.860 186 HD2 HIS 5 HD2 HIS 5 -36.518 12.246 -8.905 187 HE1 HIS 5 HE1 HIS 5 -32.829 10.197 -9.464 188 HE2 HIS 5 HE2 HIS 5 -35.020 10.211 -8.176 189 H LEU 6 H LEU 6 -33.572 17.323 -9.041 190 HA LEU 6 HA LEU 6 -35.558 18.952 -10.560 191 HB2 LEU 6 HB2 LEU 6 -35.156 19.004 -7.558 192 HB3 LEU 6 HB3 LEU 6 -36.099 20.178 -8.475 193 HG LEU 6 HG LEU 6 -36.772 17.212 -8.323 194 HD11 LEU 6 HD11 LEU 6 -38.042 19.617 -6.948 195 HD12 LEU 6 HD12 LEU 6 -38.593 17.930 -6.850 196 HD13 LEU 6 HD13 LEU 6 -37.030 18.386 -6.155 197 HD21 LEU 6 HD21 LEU 6 -37.661 18.255 -10.382 198 HD22 LEU 6 HD22 LEU 6 -38.966 17.964 -9.239 199 HD23 LEU 6 HD23 LEU 6 -38.320 19.608 -9.434 200 H CYS 7 H CYS 7 -35.200 20.970 -10.970 201 HA CYS 7 HA CYS 7 -32.549 21.808 -11.417 202 HB2 CYS 7 HB2 CYS 7 -35.239 23.197 -11.620 203 HB3 CYS 7 HB3 CYS 7 -33.746 23.907 -12.234 204 H GLY 8 H GLY 8 -31.823 24.073 -11.013 205 HA2 GLY 8 HA2 GLY 8 -30.535 23.918 -8.677 206 HA3 GLY 8 HA3 GLY 8 -30.702 25.443 -9.543 207 H SER 9 H SER 9 -33.565 25.842 -8.944 208 HA SER 9 HA SER 9 -33.377 27.260 -6.460 209 HB2 SER 9 HB2 SER 9 -35.922 27.351 -6.769 210 HB3 SER 9 HB3 SER 9 -34.933 28.015 -8.076 211 HG SER 9 HG SER 9 -36.389 25.564 -8.063 212 H HIS 10 H HIS 10 -34.958 24.164 -7.317 213 HA HIS 10 HA HIS 10 -35.795 23.571 -4.600 214 HB2 HIS 10 HB2 HIS 10 -35.530 21.831 -7.079 215 HB3 HIS 10 HB3 HIS 10 -36.375 21.381 -5.598 216 HD2 HIS 10 HD2 HIS 10 -38.920 21.770 -5.682 217 HE1 HIS 10 HE1 HIS 10 -39.128 24.812 -8.664 218 HE2 HIS 10 HE2 HIS 10 -40.496 23.291 -7.143 219 H LEU 11 H LEU 11 -33.014 22.709 -6.642 220 HA LEU 11 HA LEU 11 -31.804 20.815 -4.927 221 HB2 LEU 11 HB2 LEU 11 -31.316 21.460 -7.354 222 HB3 LEU 11 HB3 LEU 11 -30.327 22.774 -6.726 223 HG LEU 11 HG LEU 11 -29.876 19.823 -6.091 224 HD11 LEU 11 HD11 LEU 11 -28.067 19.928 -7.762 225 HD12 LEU 11 HD12 LEU 11 -29.639 20.247 -8.501 226 HD13 LEU 11 HD13 LEU 11 -28.524 21.597 -8.171 227 HD21 LEU 11 HD21 LEU 11 -28.755 21.202 -4.446 228 HD22 LEU 11 HD22 LEU 11 -27.537 20.624 -5.572 229 HD23 LEU 11 HD23 LEU 11 -28.125 22.296 -5.704 230 H VAL 12 H VAL 12 -31.164 24.418 -5.020 231 HA VAL 12 HA VAL 12 -29.491 24.258 -2.661 232 HB VAL 12 HB VAL 12 -29.525 26.644 -2.536 233 HG11 VAL 12 HG11 VAL 12 -29.223 25.722 -5.411 234 HG12 VAL 12 HG12 VAL 12 -28.475 27.145 -4.661 235 HG13 VAL 12 HG13 VAL 12 -28.021 25.521 -4.116 236 HG21 VAL 12 HG21 VAL 12 -31.810 27.248 -3.081 237 HG22 VAL 12 HG22 VAL 12 -30.693 28.070 -4.169 238 HG23 VAL 12 HG23 VAL 12 -31.608 26.665 -4.742 239 H GLU 13 H GLU 13 -32.995 24.932 -3.015 240 HA GLU 13 HA GLU 13 -33.426 25.484 -0.254 241 HB2 GLU 13 HB2 GLU 13 -35.042 25.845 -2.172 242 HB3 GLU 13 HB3 GLU 13 -35.308 24.102 -2.211 243 HG2 GLU 13 HG2 GLU 13 -37.115 25.049 -0.985 244 HG3 GLU 13 HG3 GLU 13 -36.102 24.259 0.214 245 HE2 GLU 13 HE2 GLU 13 -36.885 27.429 1.589 246 H ALA 14 H ALA 14 -33.251 22.357 -2.005 247 HA ALA 14 HA ALA 14 -33.912 20.745 0.280 248 HB1 ALA 14 HB1 ALA 14 -33.178 18.888 -1.160 249 HB2 ALA 14 HB2 ALA 14 -34.244 20.000 -2.038 250 HB3 ALA 14 HB3 ALA 14 -32.488 20.042 -2.322 251 H LEU 15 H LEU 15 -30.753 21.975 -0.923 252 HA LEU 15 HA LEU 15 -29.073 20.265 0.604 253 HB2 LEU 15 HB2 LEU 15 -28.710 23.079 -0.438 254 HB3 LEU 15 HB3 LEU 15 -27.438 22.256 0.461 255 HG LEU 15 HG LEU 15 -28.642 21.071 -2.060 256 HD11 LEU 15 HD11 LEU 15 -26.117 22.752 -1.738 257 HD12 LEU 15 HD12 LEU 15 -26.620 21.903 -3.217 258 HD13 LEU 15 HD13 LEU 15 -27.587 23.248 -2.594 259 HD21 LEU 15 HD21 LEU 15 -27.402 19.491 -0.560 260 HD22 LEU 15 HD22 LEU 15 -26.631 19.730 -2.131 261 HD23 LEU 15 HD23 LEU 15 -25.976 20.549 -0.699 262 H TYR 16 H TYR 16 -31.120 22.788 1.819 263 HA TYR 16 HA TYR 16 -29.950 23.268 4.363 264 HB2 TYR 16 HB2 TYR 16 -31.963 24.367 3.326 265 HB3 TYR 16 HB3 TYR 16 -32.883 22.903 3.631 266 HD1 TYR 16 HD1 TYR 16 -31.390 25.918 5.101 267 HD2 TYR 16 HD2 TYR 16 -33.484 22.250 5.964 268 HE1 TYR 16 HE1 TYR 16 -31.940 26.765 7.372 269 HE2 TYR 16 HE2 TYR 16 -34.023 23.099 8.245 270 HH TYR 16 HH TYR 16 -32.952 26.308 9.361 271 H LEU 17 H LEU 17 -31.663 20.409 3.142 272 HA LEU 17 HA LEU 17 -31.157 18.953 5.720 273 HB2 LEU 17 HB2 LEU 17 -33.097 18.304 3.467 274 HB3 LEU 17 HB3 LEU 17 -32.901 17.397 4.964 275 HG LEU 17 HG LEU 17 -33.958 20.255 4.741 276 HD11 LEU 17 HD11 LEU 17 -35.377 17.636 5.364 277 HD12 LEU 17 HD12 LEU 17 -36.111 19.256 5.364 278 HD13 LEU 17 HD13 LEU 17 -35.504 18.561 3.852 279 HD21 LEU 17 HD21 LEU 17 -32.844 19.917 6.915 280 HD22 LEU 17 HD22 LEU 17 -34.597 19.962 7.125 281 HD23 LEU 17 HD23 LEU 17 -33.743 18.403 7.159 282 H VAL 18 H VAL 18 -30.821 18.761 2.192 283 HA VAL 18 HA VAL 18 -29.508 16.189 2.134 284 HB VAL 18 HB VAL 18 -29.901 18.365 0.051 285 HG11 VAL 18 HG11 VAL 18 -29.470 16.623 -1.675 286 HG12 VAL 18 HG12 VAL 18 -28.035 17.110 -0.785 287 HG13 VAL 18 HG13 VAL 18 -28.826 15.564 -0.395 288 HG21 VAL 18 HG21 VAL 18 -31.976 17.273 0.839 289 HG22 VAL 18 HG22 VAL 18 -31.619 16.834 -0.830 290 HG23 VAL 18 HG23 VAL 18 -31.276 15.683 0.481 291 H CYS 19 H CYS 19 -28.275 19.151 3.112 292 HA CYS 19 HA CYS 19 -25.584 17.916 3.144 293 HB2 CYS 19 HB2 CYS 19 -25.745 19.614 1.282 294 HB3 CYS 19 HB3 CYS 19 -25.964 20.860 2.512 295 H GLY 20 H GLY 20 -27.781 20.416 4.495 296 HA2 GLY 20 HA2 GLY 20 -28.210 20.982 6.676 297 HA3 GLY 20 HA3 GLY 20 -27.591 19.386 7.088 298 H GLU 21 H GLU 21 -25.574 19.213 7.960 299 HA GLU 21 HA GLU 21 -24.772 21.377 9.624 300 HB2 GLU 21 HB2 GLU 21 -23.317 18.737 9.215 301 HB3 GLU 21 HB3 GLU 21 -23.227 19.803 10.617 302 HG2 GLU 21 HG2 GLU 21 -25.602 18.114 9.750 303 HG3 GLU 21 HG3 GLU 21 -24.615 17.931 11.194 304 HE2 GLU 21 HE2 GLU 21 -27.714 20.188 11.433 305 H ARG 22 H ARG 22 -24.099 21.664 6.615 306 HA ARG 22 HA ARG 22 -21.649 23.208 7.205 307 HB2 ARG 22 HB2 ARG 22 -21.797 21.540 4.663 308 HB3 ARG 22 HB3 ARG 22 -20.533 22.665 5.122 309 HG2 ARG 22 HG2 ARG 22 -19.479 20.750 5.678 310 HG3 ARG 22 HG3 ARG 22 -20.200 21.122 7.222 311 HD2 ARG 22 HD2 ARG 22 -21.227 19.113 7.222 312 HD3 ARG 22 HD3 ARG 22 -22.150 19.550 5.788 313 HE ARG 22 HE ARG 22 -20.005 17.670 5.921 314 HH11 ARG 22 HH11 ARG 22 -21.303 20.049 3.679 315 HH12 ARG 22 HH12 ARG 22 -20.328 19.422 2.364 316 HH21 ARG 22 HH21 ARG 22 -18.938 16.865 4.042 317 HH22 ARG 22 HH22 ARG 22 -19.128 17.769 2.554 318 H GLY 23 H GLY 23 -24.782 23.237 5.979 319 HA2 GLY 23 HA2 GLY 23 -25.945 24.646 4.560 320 HA3 GLY 23 HA3 GLY 23 -24.635 25.818 4.756 321 H PHE 24 H PHE 24 -24.513 26.480 2.604 322 HA PHE 24 HA PHE 24 -22.961 24.772 0.855 323 HB2 PHE 24 HB2 PHE 24 -24.494 25.082 -1.113 324 HB3 PHE 24 HB3 PHE 24 -25.049 23.956 0.107 325 HD1 PHE 24 HD1 PHE 24 -27.055 24.347 1.407 326 HD2 PHE 24 HD2 PHE 24 -25.633 27.332 -1.358 327 HE1 PHE 24 HE1 PHE 24 -29.237 25.526 1.554 328 HE2 PHE 24 HE2 PHE 24 -27.805 28.527 -1.177 329 HZ PHE 24 HZ PHE 24 -29.610 27.614 0.273 330 H PHE 25 H PHE 25 -21.727 25.936 -0.586 331 HA PHE 25 HA PHE 25 -21.764 28.904 -0.213 332 HB2 PHE 25 HB2 PHE 25 -19.408 27.032 -0.605 333 HB3 PHE 25 HB3 PHE 25 -19.336 28.774 -0.345 334 HD1 PHE 25 HD1 PHE 25 -20.283 29.735 1.844 335 HD2 PHE 25 HD2 PHE 25 -19.600 25.515 1.255 336 HE1 PHE 25 HE1 PHE 25 -20.490 29.355 4.288 337 HE2 PHE 25 HE2 PHE 25 -19.822 25.146 3.703 338 HZ PHE 25 HZ PHE 25 -20.274 27.054 5.213 339 H TYR 26 H TYR 26 -23.021 29.410 -2.010 340 HA TYR 26 HA TYR 26 -22.602 28.053 -4.506 341 HB2 TYR 26 HB2 TYR 26 -24.770 29.085 -3.500 342 HB3 TYR 26 HB3 TYR 26 -24.228 30.579 -4.253 343 HD1 TYR 26 HD1 TYR 26 -25.591 27.221 -4.751 344 HD2 TYR 26 HD2 TYR 26 -23.981 30.673 -6.781 345 HE1 TYR 26 HE1 TYR 26 -26.480 26.365 -6.909 346 HE2 TYR 26 HE2 TYR 26 -24.827 29.789 -8.951 347 HH TYR 26 HH TYR 26 -27.000 27.088 -9.131 348 H THR 27 H THR 27 -21.562 28.624 -6.348 349 HA THR 27 HA THR 27 -19.449 30.582 -6.222 350 HB THR 27 HB THR 27 -19.072 29.976 -8.604 351 HG1 THR 27 HG1 THR 27 -21.375 29.581 -8.863 352 HG21 THR 27 HG21 THR 27 -19.524 27.518 -6.848 353 HG22 THR 27 HG22 THR 27 -18.425 27.662 -8.245 354 HG23 THR 27 HG23 THR 27 -18.104 28.578 -6.769 355 HA PRO 28 HA PRO 28 -21.957 34.064 -7.709 356 HB2 PRO 28 HB2 PRO 28 -19.210 35.178 -8.291 357 HB3 PRO 28 HB3 PRO 28 -20.613 35.986 -7.523 358 HG2 PRO 28 HG2 PRO 28 -18.576 35.081 -5.993 359 HG3 PRO 28 HG3 PRO 28 -20.270 34.785 -5.475 360 HD2 PRO 28 HD2 PRO 28 -18.384 32.888 -6.903 361 HD3 PRO 28 HD3 PRO 28 -19.441 32.590 -5.486 362 H LYS 29 H LYS 29 -22.257 35.306 -9.692 363 HA LYS 29 HA LYS 29 -20.658 34.653 -12.042 364 HB2 LYS 29 HB2 LYS 29 -22.050 33.264 -13.027 365 HB3 LYS 29 HB3 LYS 29 -23.122 33.315 -11.663 366 HG2 LYS 29 HG2 LYS 29 -24.395 33.633 -13.605 367 HG3 LYS 29 HG3 LYS 29 -24.445 35.114 -12.680 368 HD2 LYS 29 HD2 LYS 29 -24.353 35.450 -15.133 369 HD3 LYS 29 HD3 LYS 29 -23.059 36.255 -14.288 370 HE2 LYS 29 HE2 LYS 29 -21.536 34.329 -14.895 371 HE3 LYS 29 HE3 LYS 29 -22.862 33.637 -15.856 372 HZ1 LYS 29 HZ1 LYS 29 -21.365 34.997 -17.243 373 HZ2 LYS 29 HZ2 LYS 29 -22.796 35.863 -17.094 374 HZ3 LYS 29 HZ3 LYS 29 -21.502 36.246 -16.235 375 H ALA 30 H ALA 30 -20.068 36.430 -12.868 376 HA ALA 30 HA ALA 30 -21.995 38.615 -13.385 377 HB1 ALA 30 HB1 ALA 30 -18.944 38.800 -13.223 378 HB2 ALA 30 HB2 ALA 30 -20.044 40.087 -13.761 379 HB3 ALA 30 HB3 ALA 30 -20.096 39.536 -12.076 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -23.010 25.335 -14.716 2 H2 GLY 1 H2 GLY 1 -21.406 25.213 -14.943 3 H3 GLY 1 H3 GLY 1 -22.019 26.544 -14.182 4 HA2 GLY 1 HA2 GLY 1 -20.973 24.968 -12.607 5 HA3 GLY 1 HA3 GLY 1 -22.701 25.266 -12.293 6 H ILE 2 H ILE 2 -21.293 22.859 -11.477 7 HA ILE 2 HA ILE 2 -21.338 20.777 -13.324 8 HB ILE 2 HB ILE 2 -20.144 20.733 -11.204 9 HG12 ILE 2 HG12 ILE 2 -20.590 18.397 -10.497 10 HG13 ILE 2 HG13 ILE 2 -22.056 18.379 -11.462 11 HG21 ILE 2 HG21 ILE 2 -21.921 21.698 -9.698 12 HG22 ILE 2 HG22 ILE 2 -22.751 20.119 -9.751 13 HG23 ILE 2 HG23 ILE 2 -21.133 20.251 -9.069 14 HD11 ILE 2 HD11 ILE 2 -20.096 17.286 -12.574 15 HD12 ILE 2 HD12 ILE 2 -20.739 18.631 -13.523 16 HD13 ILE 2 HD13 ILE 2 -19.246 18.843 -12.574 17 H VAL 3 H VAL 3 -23.952 21.394 -10.963 18 HA VAL 3 HA VAL 3 -25.637 19.354 -11.565 19 HB VAL 3 HB VAL 3 -25.813 20.955 -9.693 20 HG11 VAL 3 HG11 VAL 3 -25.630 23.096 -10.965 21 HG12 VAL 3 HG12 VAL 3 -27.259 22.817 -11.614 22 HG13 VAL 3 HG13 VAL 3 -27.027 23.036 -9.875 23 HG21 VAL 3 HG21 VAL 3 -28.171 20.812 -9.380 24 HG22 VAL 3 HG22 VAL 3 -28.486 20.783 -11.125 25 HG23 VAL 3 HG23 VAL 3 -27.704 19.403 -10.352 26 H GLU 4 H GLU 4 -25.153 22.049 -13.723 27 HA GLU 4 HA GLU 4 -27.682 22.027 -15.046 28 HB2 GLU 4 HB2 GLU 4 -26.750 23.447 -16.601 29 HB3 GLU 4 HB3 GLU 4 -25.751 23.749 -15.187 30 HG2 GLU 4 HG2 GLU 4 -24.069 22.056 -16.240 31 HG3 GLU 4 HG3 GLU 4 -25.068 22.147 -17.690 32 HE2 GLU 4 HE2 GLU 4 -23.259 24.826 -18.738 33 H GLN 5 H GLN 5 -25.063 19.694 -15.187 34 HA GLN 5 HA GLN 5 -25.803 18.510 -17.732 35 HB2 GLN 5 HB2 GLN 5 -24.315 17.335 -15.337 36 HB3 GLN 5 HB3 GLN 5 -24.479 16.583 -16.933 37 HG2 GLN 5 HG2 GLN 5 -23.373 18.670 -17.912 38 HG3 GLN 5 HG3 GLN 5 -23.006 19.167 -16.256 39 HE21 GLN 5 HE21 GLN 5 -20.879 16.101 -17.918 40 HE22 GLN 5 HE22 GLN 5 -22.357 16.616 -18.727 41 H CYS 6 H CYS 6 -26.552 17.496 -14.307 42 HA CYS 6 HA CYS 6 -28.413 15.566 -15.455 43 HB2 CYS 6 HB2 CYS 6 -27.850 15.946 -12.530 44 HB3 CYS 6 HB3 CYS 6 -28.600 14.568 -13.345 45 H CYS 7 H CYS 7 -28.836 18.779 -14.552 46 HA CYS 7 HA CYS 7 -31.726 18.677 -14.282 47 HB2 CYS 7 HB2 CYS 7 -29.802 20.740 -15.404 48 HB3 CYS 7 HB3 CYS 7 -31.534 21.006 -15.261 49 H ALA 8 H ALA 8 -29.630 17.844 -16.947 50 HA ALA 8 HA ALA 8 -31.965 17.833 -18.806 51 HB1 ALA 8 HB1 ALA 8 -29.041 18.439 -19.405 52 HB2 ALA 8 HB2 ALA 8 -30.377 18.430 -20.578 53 HB3 ALA 8 HB3 ALA 8 -30.349 19.641 -19.283 54 H SER 9 H SER 9 -30.266 15.659 -17.067 55 HA SER 9 HA SER 9 -30.808 13.440 -18.841 56 HB2 SER 9 HB2 SER 9 -27.965 14.451 -18.569 57 HB3 SER 9 HB3 SER 9 -28.272 12.711 -18.741 58 HG SER 9 HG SER 9 -29.445 14.614 -20.470 59 H VAL 10 H VAL 10 -30.405 11.379 -17.906 60 HA VAL 10 HA VAL 10 -30.467 11.293 -14.978 61 HB VAL 10 HB VAL 10 -30.849 8.872 -15.280 62 HG11 VAL 10 HG11 VAL 10 -33.086 9.076 -16.197 63 HG12 VAL 10 HG12 VAL 10 -32.711 10.479 -15.184 64 HG13 VAL 10 HG13 VAL 10 -32.684 10.628 -16.955 65 HG21 VAL 10 HG21 VAL 10 -31.285 7.914 -17.468 66 HG22 VAL 10 HG22 VAL 10 -30.901 9.439 -18.285 67 HG23 VAL 10 HG23 VAL 10 -29.628 8.525 -17.444 68 H CYS 11 H CYS 11 -28.065 12.362 -15.664 69 HA CYS 11 HA CYS 11 -25.964 10.322 -15.627 70 HB2 CYS 11 HB2 CYS 11 -24.494 12.363 -15.294 71 HB3 CYS 11 HB3 CYS 11 -25.349 12.166 -16.802 72 H SER 12 H SER 12 -24.138 10.655 -13.901 73 HA SER 12 HA SER 12 -25.333 9.389 -11.639 74 HB2 SER 12 HB2 SER 12 -22.473 10.342 -11.971 75 HB3 SER 12 HB3 SER 12 -23.050 9.075 -10.872 76 HG SER 12 HG SER 12 -23.627 7.856 -12.734 77 H LEU 13 H LEU 13 -25.147 9.868 -9.420 78 HA LEU 13 HA LEU 13 -26.069 12.334 -8.678 79 HB2 LEU 13 HB2 LEU 13 -25.485 11.566 -6.294 80 HB3 LEU 13 HB3 LEU 13 -26.656 10.706 -7.267 81 HG LEU 13 HG LEU 13 -25.015 8.921 -7.741 82 HD11 LEU 13 HD11 LEU 13 -22.940 8.799 -6.362 83 HD12 LEU 13 HD12 LEU 13 -22.893 10.091 -7.558 84 HD13 LEU 13 HD13 LEU 13 -23.208 10.479 -5.847 85 HD21 LEU 13 HD21 LEU 13 -25.024 7.934 -5.512 86 HD22 LEU 13 HD22 LEU 13 -25.331 9.521 -4.778 87 HD23 LEU 13 HD23 LEU 13 -26.556 8.764 -5.817 88 H TYR 14 H TYR 14 -22.625 11.679 -8.966 89 HA TYR 14 HA TYR 14 -21.828 14.116 -7.572 90 HB2 TYR 14 HB2 TYR 14 -19.785 13.361 -9.374 91 HB3 TYR 14 HB3 TYR 14 -19.861 13.152 -7.641 92 HD1 TYR 14 HD1 TYR 14 -20.037 10.990 -6.658 93 HD2 TYR 14 HD2 TYR 14 -20.558 11.508 -10.903 94 HE1 TYR 14 HE1 TYR 14 -19.930 8.523 -6.967 95 HE2 TYR 14 HE2 TYR 14 -20.432 9.025 -11.214 96 HH TYR 14 HH TYR 14 -19.814 6.810 -8.527 97 H GLN 15 H GLN 15 -22.736 13.363 -10.934 98 HA GLN 15 HA GLN 15 -21.943 16.033 -11.909 99 HB2 GLN 15 HB2 GLN 15 -23.567 13.817 -13.192 100 HB3 GLN 15 HB3 GLN 15 -23.135 15.345 -13.960 101 HG2 GLN 15 HG2 GLN 15 -21.231 14.444 -14.683 102 HG3 GLN 15 HG3 GLN 15 -20.666 14.335 -13.026 103 HE21 GLN 15 HE21 GLN 15 -20.369 10.857 -13.705 104 HE22 GLN 15 HE22 GLN 15 -19.502 12.335 -13.285 105 H LEU 16 H LEU 16 -24.733 14.526 -10.411 106 HA LEU 16 HA LEU 16 -26.454 16.855 -10.710 107 HB2 LEU 16 HB2 LEU 16 -27.373 14.689 -10.328 108 HB3 LEU 16 HB3 LEU 16 -26.467 14.460 -8.861 109 HG LEU 16 HG LEU 16 -28.966 14.908 -8.758 110 HD11 LEU 16 HD11 LEU 16 -27.250 16.604 -6.936 111 HD12 LEU 16 HD12 LEU 16 -28.866 15.956 -6.611 112 HD13 LEU 16 HD13 LEU 16 -27.497 14.847 -6.779 113 HD21 LEU 16 HD21 LEU 16 -28.985 16.944 -10.197 114 HD22 LEU 16 HD22 LEU 16 -29.775 17.143 -8.631 115 HD23 LEU 16 HD23 LEU 16 -28.158 17.822 -8.875 116 H GLU 17 H GLU 17 -24.555 15.715 -7.798 117 HA GLU 17 HA GLU 17 -23.675 18.508 -7.425 118 HB2 GLU 17 HB2 GLU 17 -25.482 17.081 -5.455 119 HB3 GLU 17 HB3 GLU 17 -24.325 18.271 -4.893 120 HG2 GLU 17 HG2 GLU 17 -26.518 18.905 -6.892 121 HG3 GLU 17 HG3 GLU 17 -26.544 19.232 -5.175 122 HE2 GLU 17 HE2 GLU 17 -25.467 22.297 -6.437 123 H ASN 18 H ASN 18 -21.620 17.534 -8.005 124 HA ASN 18 HA ASN 18 -20.029 15.978 -6.342 125 HB2 ASN 18 HB2 ASN 18 -19.525 18.405 -8.095 126 HB3 ASN 18 HB3 ASN 18 -18.229 17.864 -7.040 127 HD21 ASN 18 HD21 ASN 18 -18.076 16.075 -10.364 128 HD22 ASN 18 HD22 ASN 18 -18.488 17.765 -10.085 129 H TYR 19 H TYR 19 -21.281 19.151 -5.506 130 HA TYR 19 HA TYR 19 -19.315 19.543 -3.347 131 HB2 TYR 19 HB2 TYR 19 -21.738 21.175 -4.202 132 HB3 TYR 19 HB3 TYR 19 -20.546 21.659 -3.008 133 HD1 TYR 19 HD1 TYR 19 -18.163 22.071 -3.682 134 HD2 TYR 19 HD2 TYR 19 -21.293 21.450 -6.578 135 HE1 TYR 19 HE1 TYR 19 -16.726 23.092 -5.435 136 HE2 TYR 19 HE2 TYR 19 -19.820 22.449 -8.355 137 HH TYR 19 HH TYR 19 -16.534 23.587 -7.673 138 H CYS 20 H CYS 20 -22.650 18.411 -3.591 139 HA CYS 20 HA CYS 20 -22.941 18.024 -0.700 140 HB2 CYS 20 HB2 CYS 20 -24.441 20.195 -2.180 141 HB3 CYS 20 HB3 CYS 20 -24.931 19.577 -0.601 142 H ASN 21 H ASN 21 -23.067 16.059 -2.614 143 HA ASN 21 HA ASN 21 -25.933 15.357 -2.893 144 HB2 ASN 21 HB2 ASN 21 -24.435 14.539 -4.699 145 HB3 ASN 21 HB3 ASN 21 -23.444 13.703 -3.491 146 HD21 ASN 21 HD21 ASN 21 -27.236 12.264 -4.241 147 HD22 ASN 21 HD22 ASN 21 -26.868 13.938 -4.563 148 H1 PHE 1 H1 PHE 1 -25.517 12.176 1.994 149 H2 PHE 1 H2 PHE 1 -25.612 13.202 0.699 150 H3 PHE 1 H3 PHE 1 -24.147 12.819 1.251 151 HA PHE 1 HA PHE 1 -24.638 11.712 -0.769 152 HB2 PHE 1 HB2 PHE 1 -23.190 10.514 0.797 153 HB3 PHE 1 HB3 PHE 1 -24.589 9.839 1.626 154 HD1 PHE 1 HD1 PHE 1 -23.298 10.095 -1.930 155 HD2 PHE 1 HD2 PHE 1 -25.063 7.591 1.118 156 HE1 PHE 1 HE1 PHE 1 -23.261 8.169 -3.482 157 HE2 PHE 1 HE2 PHE 1 -25.005 5.664 -0.440 158 HZ PHE 1 HZ PHE 1 -24.108 5.947 -2.742 159 H VAL 2 H VAL 2 -26.100 10.779 -2.092 160 HA VAL 2 HA VAL 2 -28.085 10.490 -3.000 161 HB VAL 2 HB VAL 2 -29.691 8.913 -2.197 162 HG11 VAL 2 HG11 VAL 2 -27.691 8.153 -3.371 163 HG12 VAL 2 HG12 VAL 2 -26.833 7.977 -1.829 164 HG13 VAL 2 HG13 VAL 2 -28.239 6.956 -2.185 165 HG21 VAL 2 HG21 VAL 2 -28.035 8.498 0.314 166 HG22 VAL 2 HG22 VAL 2 -29.585 9.372 0.275 167 HG23 VAL 2 HG23 VAL 2 -29.519 7.660 -0.174 168 H ASN 3 H ASN 3 -27.751 12.973 -1.575 169 HA ASN 3 HA ASN 3 -30.331 14.000 -0.915 170 HB2 ASN 3 HB2 ASN 3 -28.180 15.207 -0.681 171 HB3 ASN 3 HB3 ASN 3 -28.012 15.230 -2.438 172 HD21 ASN 3 HD21 ASN 3 -29.255 18.508 -1.976 173 HD22 ASN 3 HD22 ASN 3 -27.751 17.569 -2.059 174 H GLN 4 H GLN 4 -31.838 15.105 -2.266 175 HA GLN 4 HA GLN 4 -32.827 13.152 -4.034 176 HB2 GLN 4 HB2 GLN 4 -34.104 14.569 -2.450 177 HB3 GLN 4 HB3 GLN 4 -33.872 15.966 -3.510 178 HG2 GLN 4 HG2 GLN 4 -35.154 14.870 -5.287 179 HG3 GLN 4 HG3 GLN 4 -35.256 13.379 -4.347 180 HE21 GLN 4 HE21 GLN 4 -38.456 15.202 -3.893 181 HE22 GLN 4 HE22 GLN 4 -37.627 14.477 -5.267 182 H HIS 5 H HIS 5 -32.582 12.817 -6.152 183 HA HIS 5 HA HIS 5 -30.753 14.258 -7.640 184 HB2 HIS 5 HB2 HIS 5 -31.394 11.851 -7.870 185 HB3 HIS 5 HB3 HIS 5 -32.865 12.347 -8.713 186 HD2 HIS 5 HD2 HIS 5 -32.612 13.086 -11.273 187 HE1 HIS 5 HE1 HIS 5 -28.397 12.642 -11.630 188 HE2 HIS 5 HE2 HIS 5 -30.550 13.127 -12.903 189 H LEU 6 H LEU 6 -34.125 15.142 -7.501 190 HA LEU 6 HA LEU 6 -34.243 16.027 -10.262 191 HB2 LEU 6 HB2 LEU 6 -36.462 16.799 -9.830 192 HB3 LEU 6 HB3 LEU 6 -36.206 15.196 -9.192 193 HG LEU 6 HG LEU 6 -35.901 16.369 -6.865 194 HD11 LEU 6 HD11 LEU 6 -37.345 18.551 -8.446 195 HD12 LEU 6 HD12 LEU 6 -37.373 18.415 -6.684 196 HD13 LEU 6 HD13 LEU 6 -35.852 18.721 -7.472 197 HD21 LEU 6 HD21 LEU 6 -37.805 14.933 -7.502 198 HD22 LEU 6 HD22 LEU 6 -38.361 16.330 -6.553 199 HD23 LEU 6 HD23 LEU 6 -38.584 16.310 -8.311 200 H CYS 7 H CYS 7 -34.123 17.999 -11.158 201 HA CYS 7 HA CYS 7 -32.399 19.936 -9.971 202 HB2 CYS 7 HB2 CYS 7 -32.550 19.244 -12.353 203 HB3 CYS 7 HB3 CYS 7 -34.124 20.026 -12.475 204 H GLY 8 H GLY 8 -35.670 19.614 -9.349 205 HA2 GLY 8 HA2 GLY 8 -36.436 22.469 -9.388 206 HA3 GLY 8 HA3 GLY 8 -37.491 21.095 -9.094 207 H SER 9 H SER 9 -38.309 22.606 -7.430 208 HA SER 9 HA SER 9 -36.953 23.948 -5.546 209 HB2 SER 9 HB2 SER 9 -39.633 22.604 -5.057 210 HB3 SER 9 HB3 SER 9 -39.048 24.111 -4.325 211 HG SER 9 HG SER 9 -39.422 25.151 -6.179 212 H HIS 10 H HIS 10 -37.714 20.470 -5.132 213 HA HIS 10 HA HIS 10 -37.301 20.301 -2.341 214 HB2 HIS 10 HB2 HIS 10 -36.640 18.191 -4.436 215 HB3 HIS 10 HB3 HIS 10 -36.918 17.937 -2.718 216 HD2 HIS 10 HD2 HIS 10 -39.267 17.126 -2.127 217 HE1 HIS 10 HE1 HIS 10 -41.445 18.611 -5.485 218 HE2 HIS 10 HE2 HIS 10 -41.616 17.256 -3.329 219 H LEU 11 H LEU 11 -34.819 19.995 -4.981 220 HA LEU 11 HA LEU 11 -32.893 19.181 -2.992 221 HB2 LEU 11 HB2 LEU 11 -31.638 18.427 -4.578 222 HB3 LEU 11 HB3 LEU 11 -33.078 18.551 -5.527 223 HG LEU 11 HG LEU 11 -31.242 19.139 -6.848 224 HD11 LEU 11 HD11 LEU 11 -32.494 21.825 -6.187 225 HD12 LEU 11 HD12 LEU 11 -31.684 21.345 -7.685 226 HD13 LEU 11 HD13 LEU 11 -33.205 20.586 -7.217 227 HD21 LEU 11 HD21 LEU 11 -30.367 21.353 -4.993 228 HD22 LEU 11 HD22 LEU 11 -29.665 19.718 -5.012 229 HD23 LEU 11 HD23 LEU 11 -29.570 20.748 -6.451 230 H VAL 12 H VAL 12 -33.654 22.345 -4.376 231 HA VAL 12 HA VAL 12 -31.342 23.615 -3.119 232 HB VAL 12 HB VAL 12 -32.585 25.756 -3.408 233 HG11 VAL 12 HG11 VAL 12 -32.284 24.087 -5.929 234 HG12 VAL 12 HG12 VAL 12 -32.236 25.854 -5.802 235 HG13 VAL 12 HG13 VAL 12 -30.957 24.882 -5.052 236 HG21 VAL 12 HG21 VAL 12 -34.924 24.954 -3.422 237 HG22 VAL 12 HG22 VAL 12 -34.526 25.861 -4.880 238 HG23 VAL 12 HG23 VAL 12 -34.613 24.091 -4.949 239 H GLU 13 H GLU 13 -34.711 23.008 -2.044 240 HA GLU 13 HA GLU 13 -34.449 24.352 0.475 241 HB2 GLU 13 HB2 GLU 13 -36.607 23.656 -0.482 242 HB3 GLU 13 HB3 GLU 13 -36.129 21.965 -0.398 243 HG2 GLU 13 HG2 GLU 13 -37.638 22.386 1.401 244 HG3 GLU 13 HG3 GLU 13 -36.054 22.113 2.105 245 HE2 GLU 13 HE2 GLU 13 -37.329 24.924 3.814 246 H ALA 14 H ALA 14 -33.677 20.982 -0.515 247 HA ALA 14 HA ALA 14 -32.781 20.129 2.062 248 HB1 ALA 14 HB1 ALA 14 -33.485 18.621 0.227 249 HB2 ALA 14 HB2 ALA 14 -32.057 19.101 -0.717 250 HB3 ALA 14 HB3 ALA 14 -31.862 18.226 0.814 251 H LEU 15 H LEU 15 -30.959 21.590 -0.682 252 HA LEU 15 HA LEU 15 -28.376 21.076 0.291 253 HB2 LEU 15 HB2 LEU 15 -29.537 23.133 -1.602 254 HB3 LEU 15 HB3 LEU 15 -27.843 23.237 -1.163 255 HG LEU 15 HG LEU 15 -29.091 20.784 -2.474 256 HD11 LEU 15 HD11 LEU 15 -27.890 21.489 -4.449 257 HD12 LEU 15 HD12 LEU 15 -28.875 22.864 -3.918 258 HD13 LEU 15 HD13 LEU 15 -27.131 22.833 -3.584 259 HD21 LEU 15 HD21 LEU 15 -27.206 20.079 -1.156 260 HD22 LEU 15 HD22 LEU 15 -26.709 20.160 -2.838 261 HD23 LEU 15 HD23 LEU 15 -26.247 21.472 -1.718 262 H TYR 16 H TYR 16 -30.498 23.424 1.662 263 HA TYR 16 HA TYR 16 -28.419 24.988 2.965 264 HB2 TYR 16 HB2 TYR 16 -30.592 25.956 2.866 265 HB3 TYR 16 HB3 TYR 16 -31.357 24.512 3.516 266 HD1 TYR 16 HD1 TYR 16 -28.402 26.532 4.725 267 HD2 TYR 16 HD2 TYR 16 -32.386 25.115 5.544 268 HE1 TYR 16 HE1 TYR 16 -28.219 27.354 7.069 269 HE2 TYR 16 HE2 TYR 16 -32.171 25.905 7.903 270 HH TYR 16 HH TYR 16 -29.069 27.055 9.178 271 H LEU 17 H LEU 17 -30.445 22.237 4.107 272 HA LEU 17 HA LEU 17 -28.838 21.961 6.534 273 HB2 LEU 17 HB2 LEU 17 -31.139 20.251 5.481 274 HB3 LEU 17 HB3 LEU 17 -30.383 20.142 7.061 275 HG LEU 17 HG LEU 17 -31.070 22.792 7.101 276 HD11 LEU 17 HD11 LEU 17 -32.272 22.664 4.909 277 HD12 LEU 17 HD12 LEU 17 -33.294 21.368 5.555 278 HD13 LEU 17 HD13 LEU 17 -33.379 22.997 6.245 279 HD21 LEU 17 HD21 LEU 17 -31.581 21.144 8.847 280 HD22 LEU 17 HD22 LEU 17 -33.006 22.119 8.465 281 HD23 LEU 17 HD23 LEU 17 -32.879 20.456 7.841 282 H VAL 18 H VAL 18 -29.122 20.139 3.474 283 HA VAL 18 HA VAL 18 -27.568 17.852 4.211 284 HB VAL 18 HB VAL 18 -28.092 19.214 1.549 285 HG11 VAL 18 HG11 VAL 18 -25.988 18.031 1.194 286 HG12 VAL 18 HG12 VAL 18 -26.640 16.574 1.973 287 HG13 VAL 18 HG13 VAL 18 -27.297 17.146 0.426 288 HG21 VAL 18 HG21 VAL 18 -29.066 16.572 2.731 289 HG22 VAL 18 HG22 VAL 18 -30.005 18.075 2.706 290 HG23 VAL 18 HG23 VAL 18 -29.569 17.288 1.185 291 H CYS 19 H CYS 19 -26.553 21.101 3.472 292 HA CYS 19 HA CYS 19 -23.765 20.295 4.124 293 HB2 CYS 19 HB2 CYS 19 -24.763 21.985 1.892 294 HB3 CYS 19 HB3 CYS 19 -23.257 22.478 2.685 295 H GLY 20 H GLY 20 -25.951 20.972 5.873 296 HA2 GLY 20 HA2 GLY 20 -25.964 21.731 7.987 297 HA3 GLY 20 HA3 GLY 20 -24.339 22.360 7.747 298 H GLU 21 H GLU 21 -24.329 24.511 6.417 299 HA GLU 21 HA GLU 21 -26.383 26.361 7.506 300 HB2 GLU 21 HB2 GLU 21 -23.498 26.340 8.465 301 HB3 GLU 21 HB3 GLU 21 -24.663 27.614 8.816 302 HG2 GLU 21 HG2 GLU 21 -24.844 24.732 9.768 303 HG3 GLU 21 HG3 GLU 21 -24.393 26.128 10.721 304 HE2 GLU 21 HE2 GLU 21 -27.822 25.465 11.428 305 H ARG 22 H ARG 22 -26.230 26.228 4.914 306 HA ARG 22 HA ARG 22 -24.775 28.658 4.042 307 HB2 ARG 22 HB2 ARG 22 -23.542 27.404 2.286 308 HB3 ARG 22 HB3 ARG 22 -23.073 27.012 3.925 309 HG2 ARG 22 HG2 ARG 22 -23.132 24.890 3.117 310 HG3 ARG 22 HG3 ARG 22 -24.805 24.978 3.648 311 HD2 ARG 22 HD2 ARG 22 -24.823 24.026 1.475 312 HD3 ARG 22 HD3 ARG 22 -25.440 25.659 1.300 313 HE ARG 22 HE ARG 22 -22.563 25.564 0.932 314 HH11 ARG 22 HH11 ARG 22 -25.481 24.682 -0.749 315 HH12 ARG 22 HH12 ARG 22 -24.924 25.289 -2.272 316 HH21 ARG 22 HH21 ARG 22 -21.865 26.286 -1.126 317 HH22 ARG 22 HH22 ARG 22 -23.010 26.102 -2.460 318 H GLY 23 H GLY 23 -25.314 29.518 2.039 319 HA2 GLY 23 HA2 GLY 23 -28.058 29.246 1.236 320 HA3 GLY 23 HA3 GLY 23 -26.815 30.178 0.388 321 H PHE 24 H PHE 24 -28.939 28.517 -0.734 322 HA PHE 24 HA PHE 24 -28.377 25.880 -1.010 323 HB2 PHE 24 HB2 PHE 24 -29.845 27.206 -3.267 324 HB3 PHE 24 HB3 PHE 24 -30.229 25.747 -2.378 325 HD1 PHE 24 HD1 PHE 24 -30.806 26.196 0.249 326 HD2 PHE 24 HD2 PHE 24 -31.138 29.106 -2.918 327 HE1 PHE 24 HE1 PHE 24 -32.381 27.528 1.630 328 HE2 PHE 24 HE2 PHE 24 -32.704 30.436 -1.529 329 HZ PHE 24 HZ PHE 24 -33.329 29.648 0.746 330 H PHE 25 H PHE 25 -27.420 28.304 -3.476 331 HA PHE 25 HA PHE 25 -26.533 26.208 -5.326 332 HB2 PHE 25 HB2 PHE 25 -26.075 28.347 -6.769 333 HB3 PHE 25 HB3 PHE 25 -27.685 27.794 -6.431 334 HD1 PHE 25 HD1 PHE 25 -29.311 29.273 -5.695 335 HD2 PHE 25 HD2 PHE 25 -25.158 30.222 -4.982 336 HE1 PHE 25 HE1 PHE 25 -29.966 31.463 -4.737 337 HE2 PHE 25 HE2 PHE 25 -25.822 32.395 -4.021 338 HZ PHE 25 HZ PHE 25 -28.225 33.030 -3.900 339 H TYR 26 H TYR 26 -24.339 28.319 -6.237 340 HA TYR 26 HA TYR 26 -22.132 27.007 -4.839 341 HB2 TYR 26 HB2 TYR 26 -22.104 29.291 -6.834 342 HB3 TYR 26 HB3 TYR 26 -20.710 28.348 -6.299 343 HD1 TYR 26 HD1 TYR 26 -21.013 25.678 -6.517 344 HD2 TYR 26 HD2 TYR 26 -23.170 28.604 -8.848 345 HE1 TYR 26 HE1 TYR 26 -21.722 23.903 -8.085 346 HE2 TYR 26 HE2 TYR 26 -23.853 26.815 -10.445 347 HH TYR 26 HH TYR 26 -23.550 23.496 -9.660 348 H THR 27 H THR 27 -20.253 28.675 -4.032 349 HA THR 27 HA THR 27 -21.316 29.404 -1.508 350 HB THR 27 HB THR 27 -19.021 30.480 -1.168 351 HG1 THR 27 HG1 THR 27 -18.503 30.957 -3.256 352 HG21 THR 27 HG21 THR 27 -17.835 28.341 -1.162 353 HG22 THR 27 HG22 THR 27 -19.484 28.123 -0.550 354 HG23 THR 27 HG23 THR 27 -19.068 27.609 -2.207 355 HA PRO 28 HA PRO 28 -22.351 33.766 -2.146 356 HB2 PRO 28 HB2 PRO 28 -22.254 34.664 0.430 357 HB3 PRO 28 HB3 PRO 28 -23.578 33.609 -0.161 358 HG2 PRO 28 HG2 PRO 28 -21.062 32.775 1.322 359 HG3 PRO 28 HG3 PRO 28 -22.762 32.343 1.707 360 HD2 PRO 28 HD2 PRO 28 -21.140 30.698 0.272 361 HD3 PRO 28 HD3 PRO 28 -22.883 30.841 -0.115 362 H LYS 29 H LYS 29 -21.249 35.873 -1.671 363 HA LYS 29 HA LYS 29 -18.422 35.750 -2.251 364 HB2 LYS 29 HB2 LYS 29 -20.459 37.931 -1.782 365 HB3 LYS 29 HB3 LYS 29 -18.773 38.321 -1.509 366 HG2 LYS 29 HG2 LYS 29 -18.312 37.287 -3.846 367 HG3 LYS 29 HG3 LYS 29 -20.048 37.410 -4.102 368 HD2 LYS 29 HD2 LYS 29 -19.923 39.641 -4.477 369 HD3 LYS 29 HD3 LYS 29 -19.004 39.939 -3.009 370 HE2 LYS 29 HE2 LYS 29 -17.824 38.991 -5.652 371 HE3 LYS 29 HE3 LYS 29 -17.801 40.657 -5.043 372 HZ1 LYS 29 HZ1 LYS 29 -15.694 39.561 -4.476 373 HZ2 LYS 29 HZ2 LYS 29 -16.523 39.743 -3.058 374 HZ3 LYS 29 HZ3 LYS 29 -16.470 38.340 -3.703 375 H ALA 30 H ALA 30 -16.831 35.497 -0.986 376 HA ALA 30 HA ALA 30 -16.636 37.870 0.737 377 HB1 ALA 30 HB1 ALA 30 -14.446 35.961 -0.221 378 HB2 ALA 30 HB2 ALA 30 -14.197 37.468 0.681 379 HB3 ALA 30 HB3 ALA 30 -15.029 36.103 1.456
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