NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
652297 | 6kh8 | 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 -21.919 27.519 -10.012 2 H2 GLY 1 H2 GLY 1 -22.335 26.841 -11.463 3 H3 GLY 1 H3 GLY 1 -21.324 26.042 -10.434 4 HA2 GLY 1 HA2 GLY 1 -23.091 25.706 -8.838 5 HA3 GLY 1 HA3 GLY 1 -24.138 26.701 -9.871 6 H ILE 2 H ILE 2 -22.904 23.494 -9.342 7 HA ILE 2 HA ILE 2 -23.293 22.499 -12.038 8 HB ILE 2 HB ILE 2 -21.518 21.852 -10.416 9 HG12 ILE 2 HG12 ILE 2 -23.029 19.395 -11.341 10 HG13 ILE 2 HG13 ILE 2 -22.125 20.471 -12.417 11 HG21 ILE 2 HG21 ILE 2 -23.738 20.258 -9.058 12 HG22 ILE 2 HG22 ILE 2 -22.018 20.239 -8.632 13 HG23 ILE 2 HG23 ILE 2 -22.987 21.690 -8.379 14 HD11 ILE 2 HD11 ILE 2 -20.057 20.025 -11.099 15 HD12 ILE 2 HD12 ILE 2 -20.972 18.872 -10.094 16 HD13 ILE 2 HD13 ILE 2 -20.758 18.564 -11.822 17 H VAL 3 H VAL 3 -25.683 23.428 -10.199 18 HA VAL 3 HA VAL 3 -27.224 20.970 -9.850 19 HB VAL 3 HB VAL 3 -27.179 22.869 -8.238 20 HG11 VAL 3 HG11 VAL 3 -29.042 24.263 -10.206 21 HG12 VAL 3 HG12 VAL 3 -28.592 24.811 -8.577 22 HG13 VAL 3 HG13 VAL 3 -27.369 24.755 -9.858 23 HG21 VAL 3 HG21 VAL 3 -29.483 22.682 -7.576 24 HG22 VAL 3 HG22 VAL 3 -29.961 22.128 -9.196 25 HG23 VAL 3 HG23 VAL 3 -28.906 21.120 -8.179 26 H GLU 4 H GLU 4 -26.753 23.075 -12.492 27 HA GLU 4 HA GLU 4 -29.377 22.603 -13.748 28 HB2 GLU 4 HB2 GLU 4 -28.164 23.522 -15.790 29 HB3 GLU 4 HB3 GLU 4 -28.582 24.609 -14.479 30 HG2 GLU 4 HG2 GLU 4 -26.319 24.974 -15.560 31 HG3 GLU 4 HG3 GLU 4 -26.373 24.918 -13.805 32 H GLN 5 H GLN 5 -26.216 20.995 -13.590 33 HA GLN 5 HA GLN 5 -26.648 19.111 -15.644 34 HB2 GLN 5 HB2 GLN 5 -25.429 18.658 -12.882 35 HB3 GLN 5 HB3 GLN 5 -25.297 17.521 -14.201 36 HG2 GLN 5 HG2 GLN 5 -24.216 20.370 -14.370 37 HG3 GLN 5 HG3 GLN 5 -23.293 18.988 -13.788 38 HE21 GLN 5 HE21 GLN 5 -24.072 18.074 -17.579 39 HE22 GLN 5 HE22 GLN 5 -25.334 17.928 -16.346 40 H CYS 6 H CYS 6 -28.156 19.254 -12.427 41 HA CYS 6 HA CYS 6 -29.396 16.634 -12.636 42 HB2 CYS 6 HB2 CYS 6 -29.944 19.054 -10.889 43 HB3 CYS 6 HB3 CYS 6 -30.828 17.541 -10.746 44 H CYS 7 H CYS 7 -30.132 19.652 -14.115 45 HA CYS 7 HA CYS 7 -32.975 19.065 -14.617 46 HB2 CYS 7 HB2 CYS 7 -31.158 21.256 -15.714 47 HB3 CYS 7 HB3 CYS 7 -32.905 21.190 -15.805 48 H ALA 8 H ALA 8 -29.991 18.146 -16.042 49 HA ALA 8 HA ALA 8 -31.337 17.427 -18.613 50 HB1 ALA 8 HB1 ALA 8 -29.419 18.372 -19.834 51 HB2 ALA 8 HB2 ALA 8 -30.221 19.611 -18.851 52 HB3 ALA 8 HB3 ALA 8 -28.689 18.897 -18.298 53 H SER 9 H SER 9 -29.641 16.101 -16.056 54 HA SER 9 HA SER 9 -29.029 13.679 -17.572 55 HB2 SER 9 HB2 SER 9 -26.866 15.526 -16.526 56 HB3 SER 9 HB3 SER 9 -26.598 13.772 -16.555 57 HG SER 9 HG SER 9 -27.595 15.172 -18.794 58 H VAL 10 H VAL 10 -27.993 12.029 -16.074 59 HA VAL 10 HA VAL 10 -29.853 11.575 -13.975 60 HB VAL 10 HB VAL 10 -27.263 10.073 -14.502 61 HG11 VAL 10 HG11 VAL 10 -29.839 9.280 -13.056 62 HG12 VAL 10 HG12 VAL 10 -28.498 8.181 -13.444 63 HG13 VAL 10 HG13 VAL 10 -28.236 9.503 -12.310 64 HG21 VAL 10 HG21 VAL 10 -30.066 9.590 -15.601 65 HG22 VAL 10 HG22 VAL 10 -28.651 10.105 -16.539 66 HG23 VAL 10 HG23 VAL 10 -28.670 8.510 -15.796 67 H CYS 11 H CYS 11 -29.763 13.262 -12.599 68 HA CYS 11 HA CYS 11 -27.689 14.433 -11.314 69 HB2 CYS 11 HB2 CYS 11 -30.103 15.053 -11.296 70 HB3 CYS 11 HB3 CYS 11 -30.410 13.766 -10.151 71 H SER 12 H SER 12 -26.245 14.037 -9.721 72 HA SER 12 HA SER 12 -26.462 11.609 -7.998 73 HB2 SER 12 HB2 SER 12 -25.160 11.021 -9.969 74 HB3 SER 12 HB3 SER 12 -24.093 12.419 -9.717 75 HG SER 12 HG SER 12 -23.366 10.323 -8.852 76 H LEU 13 H LEU 13 -25.038 11.586 -6.168 77 HA LEU 13 HA LEU 13 -25.499 14.000 -4.679 78 HB2 LEU 13 HB2 LEU 13 -24.095 11.422 -3.833 79 HB3 LEU 13 HB3 LEU 13 -24.602 12.733 -2.785 80 HG LEU 13 HG LEU 13 -27.006 12.272 -3.882 81 HD11 LEU 13 HD11 LEU 13 -25.622 9.552 -3.996 82 HD12 LEU 13 HD12 LEU 13 -27.364 9.808 -4.106 83 HD13 LEU 13 HD13 LEU 13 -26.311 10.421 -5.385 84 HD21 LEU 13 HD21 LEU 13 -25.762 10.579 -1.677 85 HD22 LEU 13 HD22 LEU 13 -26.502 12.179 -1.486 86 HD23 LEU 13 HD23 LEU 13 -27.504 10.801 -1.955 87 H TYR 14 H TYR 14 -22.454 12.565 -5.919 88 HA TYR 14 HA TYR 14 -20.609 14.186 -4.566 89 HB2 TYR 14 HB2 TYR 14 -20.490 13.372 -7.497 90 HB3 TYR 14 HB3 TYR 14 -19.132 13.806 -6.472 91 HD1 TYR 14 HD1 TYR 14 -18.471 12.297 -4.546 92 HD2 TYR 14 HD2 TYR 14 -21.332 11.128 -7.555 93 HE1 TYR 14 HE1 TYR 14 -18.120 9.906 -3.953 94 HE2 TYR 14 HE2 TYR 14 -21.001 8.730 -6.927 95 HH TYR 14 HH TYR 14 -18.620 7.729 -4.490 96 H GLN 15 H GLN 15 -22.856 15.127 -7.094 97 HA GLN 15 HA GLN 15 -21.606 17.630 -7.869 98 HB2 GLN 15 HB2 GLN 15 -24.530 16.830 -7.910 99 HB3 GLN 15 HB3 GLN 15 -23.805 18.121 -8.835 100 HG2 GLN 15 HG2 GLN 15 -22.540 16.565 -10.225 101 HG3 GLN 15 HG3 GLN 15 -23.135 15.188 -9.283 102 HE21 GLN 15 HE21 GLN 15 -26.551 16.206 -10.634 103 HE22 GLN 15 HE22 GLN 15 -25.899 16.021 -9.001 104 H LEU 16 H LEU 16 -23.512 16.608 -5.086 105 HA LEU 16 HA LEU 16 -24.317 19.349 -4.358 106 HB2 LEU 16 HB2 LEU 16 -24.676 16.802 -2.745 107 HB3 LEU 16 HB3 LEU 16 -25.550 18.312 -2.574 108 HG LEU 16 HG LEU 16 -25.781 16.378 -4.932 109 HD11 LEU 16 HD11 LEU 16 -28.008 15.885 -4.018 110 HD12 LEU 16 HD12 LEU 16 -26.733 15.486 -2.854 111 HD13 LEU 16 HD13 LEU 16 -27.690 16.966 -2.643 112 HD21 LEU 16 HD21 LEU 16 -27.509 18.802 -4.316 113 HD22 LEU 16 HD22 LEU 16 -26.282 18.731 -5.599 114 HD23 LEU 16 HD23 LEU 16 -27.699 17.671 -5.664 115 H GLU 17 H GLU 17 -22.241 16.726 -3.012 116 HA GLU 17 HA GLU 17 -21.187 18.117 -0.795 117 HB2 GLU 17 HB2 GLU 17 -19.779 16.087 -2.594 118 HB3 GLU 17 HB3 GLU 17 -19.276 16.521 -0.967 119 HG2 GLU 17 HG2 GLU 17 -21.953 15.207 -1.615 120 HG3 GLU 17 HG3 GLU 17 -20.485 14.335 -1.207 121 H ASN 18 H ASN 18 -19.897 17.991 -4.115 122 HA ASN 18 HA ASN 18 -17.570 19.551 -3.648 123 HB2 ASN 18 HB2 ASN 18 -18.112 17.869 -5.497 124 HB3 ASN 18 HB3 ASN 18 -19.066 19.134 -6.272 125 HD21 ASN 18 HD21 ASN 18 -16.140 20.427 -7.741 126 HD22 ASN 18 HD22 ASN 18 -17.914 20.359 -7.742 127 H TYR 19 H TYR 19 -20.528 20.747 -3.194 128 HA TYR 19 HA TYR 19 -19.830 23.495 -4.097 129 HB2 TYR 19 HB2 TYR 19 -22.326 21.909 -4.595 130 HB3 TYR 19 HB3 TYR 19 -22.513 23.614 -4.225 131 HD1 TYR 19 HD1 TYR 19 -22.126 25.255 -5.821 132 HD2 TYR 19 HD2 TYR 19 -20.657 21.292 -6.526 133 HE1 TYR 19 HE1 TYR 19 -21.204 25.999 -7.999 134 HE2 TYR 19 HE2 TYR 19 -19.851 21.975 -8.780 135 HH TYR 19 HH TYR 19 -19.739 23.675 -10.307 136 H CYS 20 H CYS 20 -19.974 21.749 -1.368 137 HA CYS 20 HA CYS 20 -21.092 24.038 0.188 138 HB2 CYS 20 HB2 CYS 20 -22.082 21.570 0.271 139 HB3 CYS 20 HB3 CYS 20 -20.775 21.357 1.438 140 H ASN 21 H ASN 21 -20.191 23.742 2.594 141 HA ASN 21 HA ASN 21 -17.321 23.226 2.826 142 HB2 ASN 21 HB2 ASN 21 -18.690 25.827 3.715 143 HB3 ASN 21 HB3 ASN 21 -17.172 25.251 4.374 144 HD21 ASN 21 HD21 ASN 21 -16.132 26.024 0.652 145 HD22 ASN 21 HD22 ASN 21 -17.014 24.547 1.069 146 H1 PHE 1 H1 PHE 1 -31.462 10.921 -9.227 147 H2 PHE 1 H2 PHE 1 -30.953 9.417 -8.850 148 H3 PHE 1 H3 PHE 1 -29.835 10.604 -9.166 149 HA PHE 1 HA PHE 1 -30.148 9.992 -6.780 150 HB2 PHE 1 HB2 PHE 1 -28.971 11.973 -7.090 151 HB3 PHE 1 HB3 PHE 1 -30.352 12.817 -7.794 152 HD1 PHE 1 HD1 PHE 1 -29.301 11.162 -4.551 153 HD2 PHE 1 HD2 PHE 1 -31.512 14.355 -6.455 154 HE1 PHE 1 HE1 PHE 1 -29.922 12.072 -2.333 155 HE2 PHE 1 HE2 PHE 1 -32.190 15.196 -4.235 156 HZ PHE 1 HZ PHE 1 -31.378 14.072 -2.167 157 H VAL 2 H VAL 2 -32.616 12.559 -7.183 158 HA VAL 2 HA VAL 2 -34.807 10.799 -6.388 159 HB VAL 2 HB VAL 2 -34.774 13.327 -6.204 160 HG11 VAL 2 HG11 VAL 2 -33.847 13.824 -8.477 161 HG12 VAL 2 HG12 VAL 2 -35.369 13.251 -9.186 162 HG13 VAL 2 HG13 VAL 2 -35.356 14.674 -8.133 163 HG21 VAL 2 HG21 VAL 2 -37.132 12.155 -7.731 164 HG22 VAL 2 HG22 VAL 2 -36.845 12.011 -5.984 165 HG23 VAL 2 HG23 VAL 2 -37.122 13.601 -6.704 166 H ASN 3 H ASN 3 -36.494 10.191 -8.008 167 HA ASN 3 HA ASN 3 -35.263 8.423 -9.821 168 HB2 ASN 3 HB2 ASN 3 -38.217 9.107 -9.499 169 HB3 ASN 3 HB3 ASN 3 -37.551 7.616 -10.151 170 HD21 ASN 3 HD21 ASN 3 -37.369 5.927 -8.676 171 HD22 ASN 3 HD22 ASN 3 -37.359 6.194 -6.932 172 H GLN 4 H GLN 4 -36.161 11.629 -10.522 173 HA GLN 4 HA GLN 4 -36.043 11.174 -13.441 174 HB2 GLN 4 HB2 GLN 4 -38.117 12.229 -13.865 175 HB3 GLN 4 HB3 GLN 4 -38.436 10.992 -12.663 176 HG2 GLN 4 HG2 GLN 4 -38.247 13.995 -12.219 177 HG3 GLN 4 HG3 GLN 4 -39.705 13.023 -12.176 178 HE21 GLN 4 HE21 GLN 4 -38.146 13.718 -8.695 179 HE22 GLN 4 HE22 GLN 4 -38.068 14.789 -10.090 180 H HIS 5 H HIS 5 -35.312 12.951 -14.624 181 HA HIS 5 HA HIS 5 -33.610 14.742 -13.135 182 HB2 HIS 5 HB2 HIS 5 -33.912 14.798 -16.122 183 HB3 HIS 5 HB3 HIS 5 -32.480 15.112 -15.139 184 HD2 HIS 5 HD2 HIS 5 -33.817 12.603 -17.361 185 HE1 HIS 5 HE1 HIS 5 -32.012 10.119 -14.411 186 HE2 HIS 5 HE2 HIS 5 -33.039 10.168 -16.749 187 H LEU 6 H LEU 6 -36.009 15.507 -12.364 188 HA LEU 6 HA LEU 6 -37.128 17.680 -13.969 189 HB2 LEU 6 HB2 LEU 6 -38.530 16.122 -12.733 190 HB3 LEU 6 HB3 LEU 6 -37.804 16.601 -11.206 191 HG LEU 6 HG LEU 6 -40.108 17.407 -11.661 192 HD11 LEU 6 HD11 LEU 6 -38.198 19.727 -11.286 193 HD12 LEU 6 HD12 LEU 6 -39.873 19.601 -10.757 194 HD13 LEU 6 HD13 LEU 6 -38.638 18.565 -10.023 195 HD21 LEU 6 HD21 LEU 6 -39.850 17.894 -14.082 196 HD22 LEU 6 HD22 LEU 6 -40.559 19.232 -13.159 197 HD23 LEU 6 HD23 LEU 6 -38.866 19.320 -13.664 198 H CYS 7 H CYS 7 -36.519 19.697 -13.905 199 HA CYS 7 HA CYS 7 -34.302 20.553 -12.295 200 HB2 CYS 7 HB2 CYS 7 -34.908 21.070 -14.739 201 HB3 CYS 7 HB3 CYS 7 -36.078 22.224 -14.102 202 H GLY 8 H GLY 8 -34.315 21.615 -10.321 203 HA2 GLY 8 HA2 GLY 8 -35.895 23.837 -9.739 204 HA3 GLY 8 HA3 GLY 8 -36.799 22.467 -9.106 205 H SER 9 H SER 9 -36.298 24.250 -7.343 206 HA SER 9 HA SER 9 -33.855 24.105 -5.901 207 HB2 SER 9 HB2 SER 9 -36.623 24.787 -4.852 208 HB3 SER 9 HB3 SER 9 -35.078 25.121 -4.044 209 HG SER 9 HG SER 9 -35.671 26.953 -5.148 210 H HIS 10 H HIS 10 -36.105 21.571 -6.237 211 HA HIS 10 HA HIS 10 -35.986 20.227 -3.755 212 HB2 HIS 10 HB2 HIS 10 -35.708 18.859 -6.442 213 HB3 HIS 10 HB3 HIS 10 -36.547 18.296 -4.998 214 HD2 HIS 10 HD2 HIS 10 -39.069 19.131 -4.672 215 HE1 HIS 10 HE1 HIS 10 -39.410 21.357 -8.302 216 HE2 HIS 10 HE2 HIS 10 -40.698 20.386 -6.314 217 H LEU 11 H LEU 11 -33.527 20.554 -6.301 218 HA LEU 11 HA LEU 11 -31.665 18.726 -4.976 219 HB2 LEU 11 HB2 LEU 11 -31.239 20.716 -7.228 220 HB3 LEU 11 HB3 LEU 11 -30.057 19.557 -6.642 221 HG LEU 11 HG LEU 11 -30.813 18.584 -8.546 222 HD11 LEU 11 HD11 LEU 11 -32.674 17.294 -6.523 223 HD12 LEU 11 HD12 LEU 11 -32.036 16.566 -8.008 224 HD13 LEU 11 HD13 LEU 11 -30.930 16.967 -6.672 225 HD21 LEU 11 HD21 LEU 11 -32.736 20.058 -9.010 226 HD22 LEU 11 HD22 LEU 11 -33.050 18.359 -9.385 227 HD23 LEU 11 HD23 LEU 11 -33.737 19.072 -7.922 228 H VAL 12 H VAL 12 -32.542 21.981 -4.426 229 HA VAL 12 HA VAL 12 -30.147 22.592 -2.784 230 HB VAL 12 HB VAL 12 -32.367 24.189 -3.929 231 HG11 VAL 12 HG11 VAL 12 -33.032 24.554 -1.624 232 HG12 VAL 12 HG12 VAL 12 -31.352 24.866 -1.146 233 HG13 VAL 12 HG13 VAL 12 -32.201 25.987 -2.234 234 HG21 VAL 12 HG21 VAL 12 -30.005 24.308 -4.642 235 HG22 VAL 12 HG22 VAL 12 -30.590 25.860 -4.021 236 HG23 VAL 12 HG23 VAL 12 -29.544 24.842 -3.007 237 H GLU 13 H GLU 13 -33.609 21.677 -2.380 238 HA GLU 13 HA GLU 13 -33.474 21.336 0.467 239 HB2 GLU 13 HB2 GLU 13 -35.002 19.783 -1.623 240 HB3 GLU 13 HB3 GLU 13 -35.255 19.639 0.119 241 HG2 GLU 13 HG2 GLU 13 -36.009 21.904 0.319 242 HG3 GLU 13 HG3 GLU 13 -35.496 22.317 -1.313 243 H ALA 14 H ALA 14 -32.529 19.108 -2.196 244 HA ALA 14 HA ALA 14 -31.465 17.052 -0.604 245 HB1 ALA 14 HB1 ALA 14 -30.347 17.972 -3.264 246 HB2 ALA 14 HB2 ALA 14 -30.279 16.358 -2.555 247 HB3 ALA 14 HB3 ALA 14 -31.848 17.034 -3.078 248 H LEU 15 H LEU 15 -29.835 20.107 -1.547 249 HA LEU 15 HA LEU 15 -27.274 19.427 -0.348 250 HB2 LEU 15 HB2 LEU 15 -28.625 21.974 -1.269 251 HB3 LEU 15 HB3 LEU 15 -27.155 22.049 -0.335 252 HG LEU 15 HG LEU 15 -27.083 20.239 -2.703 253 HD11 LEU 15 HD11 LEU 15 -26.429 22.143 -4.157 254 HD12 LEU 15 HD12 LEU 15 -28.127 22.212 -3.682 255 HD13 LEU 15 HD13 LEU 15 -26.955 23.274 -2.872 256 HD21 LEU 15 HD21 LEU 15 -25.141 20.475 -1.178 257 HD22 LEU 15 HD22 LEU 15 -24.762 21.130 -2.778 258 HD23 LEU 15 HD23 LEU 15 -25.132 22.232 -1.438 259 H TYR 16 H TYR 16 -30.305 20.808 1.022 260 HA TYR 16 HA TYR 16 -29.100 21.183 3.667 261 HB2 TYR 16 HB2 TYR 16 -32.003 20.922 2.822 262 HB3 TYR 16 HB3 TYR 16 -31.479 21.144 4.475 263 HD1 TYR 16 HD1 TYR 16 -29.787 23.190 4.887 264 HD2 TYR 16 HD2 TYR 16 -32.611 22.874 1.640 265 HE1 TYR 16 HE1 TYR 16 -29.734 25.648 4.600 266 HE2 TYR 16 HE2 TYR 16 -32.563 25.340 1.359 267 HH TYR 16 HH TYR 16 -30.495 27.429 3.369 268 H LEU 17 H LEU 17 -30.737 18.467 2.036 269 HA LEU 17 HA LEU 17 -30.635 16.677 4.322 270 HB2 LEU 17 HB2 LEU 17 -31.002 16.185 1.345 271 HB3 LEU 17 HB3 LEU 17 -31.178 14.938 2.558 272 HG LEU 17 HG LEU 17 -32.899 17.452 2.592 273 HD11 LEU 17 HD11 LEU 17 -33.485 14.747 1.319 274 HD12 LEU 17 HD12 LEU 17 -34.656 16.066 1.552 275 HD13 LEU 17 HD13 LEU 17 -33.286 16.299 0.468 276 HD21 LEU 17 HD21 LEU 17 -34.380 16.045 3.965 277 HD22 LEU 17 HD22 LEU 17 -33.214 14.704 3.870 278 HD23 LEU 17 HD23 LEU 17 -32.789 16.209 4.716 279 H VAL 18 H VAL 18 -28.076 17.901 2.736 280 HA VAL 18 HA VAL 18 -26.358 15.498 3.260 281 HB VAL 18 HB VAL 18 -26.284 17.424 0.918 282 HG11 VAL 18 HG11 VAL 18 -24.122 15.445 1.741 283 HG12 VAL 18 HG12 VAL 18 -24.214 16.261 0.172 284 HG13 VAL 18 HG13 VAL 18 -23.940 17.201 1.633 285 HG21 VAL 18 HG21 VAL 18 -26.323 14.375 1.100 286 HG22 VAL 18 HG22 VAL 18 -27.718 15.395 0.699 287 HG23 VAL 18 HG23 VAL 18 -26.327 15.337 -0.394 288 H CYS 19 H CYS 19 -26.072 19.057 2.747 289 HA CYS 19 HA CYS 19 -23.768 19.070 4.606 290 HB2 CYS 19 HB2 CYS 19 -23.686 20.008 2.292 291 HB3 CYS 19 HB3 CYS 19 -24.866 21.236 2.785 292 H GLY 20 H GLY 20 -26.987 20.474 4.284 293 HA2 GLY 20 HA2 GLY 20 -28.508 21.253 5.798 294 HA3 GLY 20 HA3 GLY 20 -27.577 20.365 6.985 295 H GLU 21 H GLU 21 -25.960 21.442 8.120 296 HA GLU 21 HA GLU 21 -27.086 23.607 9.527 297 HB2 GLU 21 HB2 GLU 21 -25.786 21.773 10.441 298 HB3 GLU 21 HB3 GLU 21 -24.393 22.235 9.478 299 HG2 GLU 21 HG2 GLU 21 -24.206 24.349 10.848 300 HG3 GLU 21 HG3 GLU 21 -25.527 23.736 11.865 301 H ARG 22 H ARG 22 -24.497 23.674 7.108 302 HA ARG 22 HA ARG 22 -23.548 26.288 8.046 303 HB2 ARG 22 HB2 ARG 22 -22.408 24.426 5.910 304 HB3 ARG 22 HB3 ARG 22 -21.619 25.830 6.621 305 HG2 ARG 22 HG2 ARG 22 -20.666 24.312 8.008 306 HG3 ARG 22 HG3 ARG 22 -22.153 24.512 8.922 307 HD2 ARG 22 HD2 ARG 22 -21.862 22.190 8.808 308 HD3 ARG 22 HD3 ARG 22 -23.054 22.490 7.534 309 HE ARG 22 HE ARG 22 -20.513 22.662 6.309 310 HH11 ARG 22 HH11 ARG 22 -22.743 20.191 7.274 311 HH12 ARG 22 HH12 ARG 22 -21.761 18.922 6.606 312 HH21 ARG 22 HH21 ARG 22 -19.292 21.108 5.545 313 HH22 ARG 22 HH22 ARG 22 -19.834 19.444 5.559 314 H GLY 23 H GLY 23 -25.941 25.633 5.930 315 HA2 GLY 23 HA2 GLY 23 -26.796 26.710 4.002 316 HA3 GLY 23 HA3 GLY 23 -25.576 27.986 4.187 317 H PHE 24 H PHE 24 -25.037 27.838 1.886 318 HA PHE 24 HA PHE 24 -23.299 25.519 1.237 319 HB2 PHE 24 HB2 PHE 24 -24.985 26.702 -0.937 320 HB3 PHE 24 HB3 PHE 24 -24.202 25.131 -0.856 321 HD1 PHE 24 HD1 PHE 24 -25.186 23.749 1.431 322 HD2 PHE 24 HD2 PHE 24 -27.300 26.581 -1.041 323 HE1 PHE 24 HE1 PHE 24 -27.346 22.888 2.289 324 HE2 PHE 24 HE2 PHE 24 -29.456 25.639 -0.256 325 HZ PHE 24 HZ PHE 24 -29.480 23.775 1.374 326 H PHE 25 H PHE 25 -21.436 25.992 0.121 327 HA PHE 25 HA PHE 25 -20.552 28.741 0.264 328 HB2 PHE 25 HB2 PHE 25 -19.050 26.923 0.771 329 HB3 PHE 25 HB3 PHE 25 -19.257 26.216 -0.828 330 HD1 PHE 25 HD1 PHE 25 -17.970 26.996 -2.720 331 HD2 PHE 25 HD2 PHE 25 -17.806 29.101 1.037 332 HE1 PHE 25 HE1 PHE 25 -16.020 28.299 -3.537 333 HE2 PHE 25 HE2 PHE 25 -15.857 30.398 0.228 334 HZ PHE 25 HZ PHE 25 -14.947 29.996 -2.061 335 H TYR 26 H TYR 26 -21.123 26.532 -2.454 336 HA TYR 26 HA TYR 26 -21.414 26.763 -4.622 337 HB2 TYR 26 HB2 TYR 26 -23.138 28.743 -3.363 338 HB3 TYR 26 HB3 TYR 26 -22.777 29.193 -5.014 339 HD1 TYR 26 HD1 TYR 26 -24.189 28.309 -6.695 340 HD2 TYR 26 HD2 TYR 26 -23.612 26.118 -3.023 341 HE1 TYR 26 HE1 TYR 26 -25.779 26.543 -7.483 342 HE2 TYR 26 HE2 TYR 26 -25.160 24.355 -3.822 343 HH TYR 26 HH TYR 26 -26.702 23.786 -5.442 344 H THR 27 H THR 27 -21.341 27.947 -6.692 345 HA THR 27 HA THR 27 -19.251 29.995 -6.918 346 HB THR 27 HB THR 27 -17.974 28.866 -8.603 347 HG1 THR 27 HG1 THR 27 -18.470 26.601 -8.947 348 HG21 THR 27 HG21 THR 27 -16.931 27.023 -7.454 349 HG22 THR 27 HG22 THR 27 -17.339 28.255 -6.249 350 HG23 THR 27 HG23 THR 27 -18.340 26.796 -6.403 351 HA PRO 28 HA PRO 28 -18.224 31.056 -8.994 352 HB2 PRO 28 HB2 PRO 28 -18.624 33.415 -10.272 353 HB3 PRO 28 HB3 PRO 28 -18.602 31.862 -11.146 354 HG2 PRO 28 HG2 PRO 28 -21.044 33.359 -10.120 355 HG3 PRO 28 HG3 PRO 28 -20.723 32.796 -11.796 356 HD2 PRO 28 HD2 PRO 28 -22.180 31.303 -10.048 357 HD3 PRO 28 HD3 PRO 28 -21.049 30.533 -11.197 358 H LYS 29 H LYS 29 -17.739 33.693 -8.472 359 HA LYS 29 HA LYS 29 -19.395 34.733 -6.315 360 HB2 LYS 29 HB2 LYS 29 -17.268 33.066 -5.545 361 HB3 LYS 29 HB3 LYS 29 -16.511 34.644 -5.565 362 HG2 LYS 29 HG2 LYS 29 -17.301 34.761 -3.426 363 HG3 LYS 29 HG3 LYS 29 -18.771 35.324 -4.212 364 HD2 LYS 29 HD2 LYS 29 -19.513 33.637 -2.722 365 HD3 LYS 29 HD3 LYS 29 -19.465 32.814 -4.296 366 HE2 LYS 29 HE2 LYS 29 -17.018 32.177 -3.644 367 HE3 LYS 29 HE3 LYS 29 -17.436 32.715 -2.018 368 HZ1 LYS 29 HZ1 LYS 29 -17.781 30.321 -2.267 369 HZ2 LYS 29 HZ2 LYS 29 -19.262 31.000 -2.072 370 HZ3 LYS 29 HZ3 LYS 29 -18.784 30.520 -3.531 371 H ALA 30 H ALA 30 -18.388 36.802 -5.554 372 HA ALA 30 HA ALA 30 -16.285 37.965 -7.243 373 HB1 ALA 30 HB1 ALA 30 -16.913 40.175 -6.359 374 HB2 ALA 30 HB2 ALA 30 -18.255 39.499 -7.312 375 HB3 ALA 30 HB3 ALA 30 -18.316 39.475 -5.528 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -22.822 28.062 -10.541 2 H2 GLY 1 H2 GLY 1 -23.203 27.364 -12.004 3 H3 GLY 1 H3 GLY 1 -21.952 26.789 -11.085 4 HA2 GLY 1 HA2 GLY 1 -23.464 26.101 -9.357 5 HA3 GLY 1 HA3 GLY 1 -24.800 26.695 -10.355 6 H ILE 2 H ILE 2 -22.737 23.988 -9.700 7 HA ILE 2 HA ILE 2 -22.903 22.585 -12.162 8 HB ILE 2 HB ILE 2 -21.377 22.179 -10.252 9 HG12 ILE 2 HG12 ILE 2 -22.867 19.627 -10.975 10 HG13 ILE 2 HG13 ILE 2 -21.796 20.487 -12.082 11 HG21 ILE 2 HG21 ILE 2 -23.672 20.680 -8.912 12 HG22 ILE 2 HG22 ILE 2 -22.039 21.000 -8.298 13 HG23 ILE 2 HG23 ILE 2 -23.185 22.322 -8.443 14 HD11 ILE 2 HD11 ILE 2 -20.586 18.668 -11.017 15 HD12 ILE 2 HD12 ILE 2 -19.913 20.219 -10.481 16 HD13 ILE 2 HD13 ILE 2 -20.975 19.287 -9.402 17 H VAL 3 H VAL 3 -25.460 23.358 -10.089 18 HA VAL 3 HA VAL 3 -27.269 21.223 -10.388 19 HB VAL 3 HB VAL 3 -27.534 23.325 -9.020 20 HG11 VAL 3 HG11 VAL 3 -28.602 24.510 -11.622 21 HG12 VAL 3 HG12 VAL 3 -28.655 25.268 -10.031 22 HG13 VAL 3 HG13 VAL 3 -27.093 24.989 -10.822 23 HG21 VAL 3 HG21 VAL 3 -29.940 23.357 -9.065 24 HG22 VAL 3 HG22 VAL 3 -29.976 22.651 -10.691 25 HG23 VAL 3 HG23 VAL 3 -29.376 21.697 -9.319 26 H GLU 4 H GLU 4 -26.053 23.235 -13.036 27 HA GLU 4 HA GLU 4 -28.332 22.830 -14.772 28 HB2 GLU 4 HB2 GLU 4 -26.830 23.435 -16.601 29 HB3 GLU 4 HB3 GLU 4 -26.826 24.553 -15.259 30 HG2 GLU 4 HG2 GLU 4 -24.619 24.482 -15.918 31 HG3 GLU 4 HG3 GLU 4 -24.670 23.539 -14.443 32 H GLN 5 H GLN 5 -25.522 20.755 -14.014 33 HA GLN 5 HA GLN 5 -26.078 18.678 -15.894 34 HB2 GLN 5 HB2 GLN 5 -25.018 18.506 -13.028 35 HB3 GLN 5 HB3 GLN 5 -24.855 17.249 -14.250 36 HG2 GLN 5 HG2 GLN 5 -23.613 20.015 -14.615 37 HG3 GLN 5 HG3 GLN 5 -22.814 18.718 -13.743 38 HE21 GLN 5 HE21 GLN 5 -23.249 18.265 -17.776 39 HE22 GLN 5 HE22 GLN 5 -24.230 19.496 -16.975 40 H CYS 6 H CYS 6 -27.362 19.385 -12.680 41 HA CYS 6 HA CYS 6 -29.077 17.051 -12.523 42 HB2 CYS 6 HB2 CYS 6 -28.899 19.638 -10.927 43 HB3 CYS 6 HB3 CYS 6 -29.973 18.288 -10.562 44 H CYS 7 H CYS 7 -29.416 20.033 -14.188 45 HA CYS 7 HA CYS 7 -32.356 19.856 -14.387 46 HB2 CYS 7 HB2 CYS 7 -30.310 21.662 -15.744 47 HB3 CYS 7 HB3 CYS 7 -32.053 21.826 -15.871 48 H ALA 8 H ALA 8 -29.748 18.217 -15.790 49 HA ALA 8 HA ALA 8 -31.380 17.479 -18.169 50 HB1 ALA 8 HB1 ALA 8 -29.365 17.745 -19.563 51 HB2 ALA 8 HB2 ALA 8 -29.799 19.268 -18.765 52 HB3 ALA 8 HB3 ALA 8 -28.446 18.298 -18.141 53 H SER 9 H SER 9 -29.938 16.158 -15.483 54 HA SER 9 HA SER 9 -30.069 13.462 -16.617 55 HB2 SER 9 HB2 SER 9 -27.444 14.768 -15.831 56 HB3 SER 9 HB3 SER 9 -27.675 13.020 -15.630 57 HG SER 9 HG SER 9 -28.303 14.348 -18.042 58 H VAL 10 H VAL 10 -29.691 11.803 -14.933 59 HA VAL 10 HA VAL 10 -31.361 12.299 -12.711 60 HB VAL 10 HB VAL 10 -29.486 9.924 -13.054 61 HG11 VAL 10 HG11 VAL 10 -32.091 10.260 -11.493 62 HG12 VAL 10 HG12 VAL 10 -31.208 8.733 -11.706 63 HG13 VAL 10 HG13 VAL 10 -30.477 10.048 -10.780 64 HG21 VAL 10 HG21 VAL 10 -32.353 10.288 -13.994 65 HG22 VAL 10 HG22 VAL 10 -30.917 10.158 -15.041 66 HG23 VAL 10 HG23 VAL 10 -31.417 8.778 -14.062 67 H CYS 11 H CYS 11 -30.515 14.056 -11.659 68 HA CYS 11 HA CYS 11 -28.020 14.564 -10.776 69 HB2 CYS 11 HB2 CYS 11 -30.024 16.055 -10.665 70 HB3 CYS 11 HB3 CYS 11 -30.560 15.195 -9.237 71 H SER 12 H SER 12 -26.594 13.828 -9.257 72 HA SER 12 HA SER 12 -27.588 12.420 -6.845 73 HB2 SER 12 HB2 SER 12 -25.628 11.211 -8.816 74 HB3 SER 12 HB3 SER 12 -25.938 10.590 -7.178 75 HG SER 12 HG SER 12 -27.608 10.643 -9.424 76 H LEU 13 H LEU 13 -26.024 12.025 -5.223 77 HA LEU 13 HA LEU 13 -25.614 14.573 -4.345 78 HB2 LEU 13 HB2 LEU 13 -24.605 12.005 -3.082 79 HB3 LEU 13 HB3 LEU 13 -24.905 13.519 -2.240 80 HG LEU 13 HG LEU 13 -27.041 11.823 -3.624 81 HD11 LEU 13 HD11 LEU 13 -26.145 10.742 -1.610 82 HD12 LEU 13 HD12 LEU 13 -26.453 12.219 -0.673 83 HD13 LEU 13 HD13 LEU 13 -27.810 11.302 -1.356 84 HD21 LEU 13 HD21 LEU 13 -28.654 13.283 -2.406 85 HD22 LEU 13 HD22 LEU 13 -27.309 14.311 -1.900 86 HD23 LEU 13 HD23 LEU 13 -27.728 14.173 -3.624 87 H TYR 14 H TYR 14 -22.998 12.519 -5.569 88 HA TYR 14 HA TYR 14 -20.779 13.811 -4.514 89 HB2 TYR 14 HB2 TYR 14 -20.919 12.940 -7.408 90 HB3 TYR 14 HB3 TYR 14 -19.553 12.865 -6.309 91 HD1 TYR 14 HD1 TYR 14 -19.969 11.317 -4.125 92 HD2 TYR 14 HD2 TYR 14 -22.086 10.958 -7.871 93 HE1 TYR 14 HE1 TYR 14 -20.605 8.987 -3.545 94 HE2 TYR 14 HE2 TYR 14 -22.723 8.616 -7.273 95 HH TYR 14 HH TYR 14 -21.563 7.031 -4.317 96 H GLN 15 H GLN 15 -22.927 15.032 -7.034 97 HA GLN 15 HA GLN 15 -21.237 17.264 -7.893 98 HB2 GLN 15 HB2 GLN 15 -24.239 16.832 -8.063 99 HB3 GLN 15 HB3 GLN 15 -23.349 18.072 -8.934 100 HG2 GLN 15 HG2 GLN 15 -22.321 16.484 -10.411 101 HG3 GLN 15 HG3 GLN 15 -22.783 15.119 -9.392 102 HE21 GLN 15 HE21 GLN 15 -26.297 15.663 -10.401 103 HE22 GLN 15 HE22 GLN 15 -25.406 15.327 -8.890 104 H LEU 16 H LEU 16 -23.270 16.684 -5.118 105 HA LEU 16 HA LEU 16 -23.769 19.556 -4.590 106 HB2 LEU 16 HB2 LEU 16 -24.651 17.129 -2.987 107 HB3 LEU 16 HB3 LEU 16 -25.259 18.765 -2.865 108 HG LEU 16 HG LEU 16 -25.683 16.833 -5.185 109 HD11 LEU 16 HD11 LEU 16 -28.007 16.898 -4.536 110 HD12 LEU 16 HD12 LEU 16 -27.032 16.470 -3.112 111 HD13 LEU 16 HD13 LEU 16 -27.667 18.112 -3.280 112 HD21 LEU 16 HD21 LEU 16 -26.694 19.698 -4.908 113 HD22 LEU 16 HD22 LEU 16 -25.537 19.107 -6.117 114 HD23 LEU 16 HD23 LEU 16 -27.208 18.531 -6.138 115 H GLU 17 H GLU 17 -22.044 16.717 -3.140 116 HA GLU 17 HA GLU 17 -20.728 17.977 -1.020 117 HB2 GLU 17 HB2 GLU 17 -19.315 16.220 -3.069 118 HB3 GLU 17 HB3 GLU 17 -18.898 16.437 -1.377 119 HG2 GLU 17 HG2 GLU 17 -21.251 14.925 -2.541 120 HG3 GLU 17 HG3 GLU 17 -19.835 14.252 -1.761 121 H ASN 18 H ASN 18 -19.799 18.019 -4.453 122 HA ASN 18 HA ASN 18 -17.441 19.543 -4.401 123 HB2 ASN 18 HB2 ASN 18 -18.247 18.208 -6.299 124 HB3 ASN 18 HB3 ASN 18 -19.663 19.238 -6.474 125 HD21 ASN 18 HD21 ASN 18 -16.137 20.895 -7.683 126 HD22 ASN 18 HD22 ASN 18 -16.060 19.712 -6.388 127 H TYR 19 H TYR 19 -20.582 20.781 -3.687 128 HA TYR 19 HA TYR 19 -19.833 23.533 -4.587 129 HB2 TYR 19 HB2 TYR 19 -22.104 21.814 -5.159 130 HB3 TYR 19 HB3 TYR 19 -22.666 23.248 -4.329 131 HD1 TYR 19 HD1 TYR 19 -23.179 25.077 -5.694 132 HD2 TYR 19 HD2 TYR 19 -20.137 22.313 -6.964 133 HE1 TYR 19 HE1 TYR 19 -22.619 26.573 -7.606 134 HE2 TYR 19 HE2 TYR 19 -19.661 23.718 -8.947 135 HH TYR 19 HH TYR 19 -20.067 26.619 -9.194 136 H CYS 20 H CYS 20 -19.863 21.959 -1.754 137 HA CYS 20 HA CYS 20 -21.158 24.167 -0.226 138 HB2 CYS 20 HB2 CYS 20 -22.301 21.763 -0.881 139 HB3 CYS 20 HB3 CYS 20 -21.613 21.376 0.686 140 H ASN 21 H ASN 21 -21.019 23.093 2.279 141 HA ASN 21 HA ASN 21 -18.170 22.782 2.998 142 HB2 ASN 21 HB2 ASN 21 -20.062 24.933 4.080 143 HB3 ASN 21 HB3 ASN 21 -18.539 24.488 4.835 144 HD21 ASN 21 HD21 ASN 21 -17.119 26.010 1.540 145 HD22 ASN 21 HD22 ASN 21 -17.613 24.312 1.691 146 H1 PHE 1 H1 PHE 1 -30.895 11.043 -8.247 147 H2 PHE 1 H2 PHE 1 -30.633 9.460 -7.878 148 H3 PHE 1 H3 PHE 1 -29.448 10.598 -7.631 149 HA PHE 1 HA PHE 1 -30.530 9.909 -5.563 150 HB2 PHE 1 HB2 PHE 1 -29.550 12.129 -5.619 151 HB3 PHE 1 HB3 PHE 1 -30.986 12.789 -6.397 152 HD1 PHE 1 HD1 PHE 1 -30.254 10.696 -3.310 153 HD2 PHE 1 HD2 PHE 1 -32.294 14.121 -4.997 154 HE1 PHE 1 HE1 PHE 1 -31.272 11.193 -1.110 155 HE2 PHE 1 HE2 PHE 1 -33.311 14.591 -2.795 156 HZ PHE 1 HZ PHE 1 -32.806 13.133 -0.852 157 H VAL 2 H VAL 2 -33.073 12.256 -6.248 158 HA VAL 2 HA VAL 2 -35.187 10.304 -6.533 159 HB VAL 2 HB VAL 2 -35.480 12.746 -6.003 160 HG11 VAL 2 HG11 VAL 2 -33.935 13.693 -7.721 161 HG12 VAL 2 HG12 VAL 2 -35.061 13.186 -8.993 162 HG13 VAL 2 HG13 VAL 2 -35.559 14.387 -7.792 163 HG21 VAL 2 HG21 VAL 2 -37.093 11.729 -8.377 164 HG22 VAL 2 HG22 VAL 2 -37.384 11.347 -6.665 165 HG23 VAL 2 HG23 VAL 2 -37.558 13.008 -7.248 166 H ASN 3 H ASN 3 -36.158 9.602 -8.492 167 HA ASN 3 HA ASN 3 -34.215 8.524 -10.245 168 HB2 ASN 3 HB2 ASN 3 -37.245 8.372 -10.494 169 HB3 ASN 3 HB3 ASN 3 -36.068 7.201 -11.081 170 HD21 ASN 3 HD21 ASN 3 -35.477 5.532 -9.676 171 HD22 ASN 3 HD22 ASN 3 -35.998 5.509 -7.987 172 H GLN 4 H GLN 4 -34.792 11.573 -10.657 173 HA GLN 4 HA GLN 4 -35.240 11.538 -13.570 174 HB2 GLN 4 HB2 GLN 4 -37.196 12.954 -13.490 175 HB3 GLN 4 HB3 GLN 4 -37.489 11.473 -12.591 176 HG2 GLN 4 HG2 GLN 4 -37.021 12.760 -10.452 177 HG3 GLN 4 HG3 GLN 4 -36.906 14.230 -11.411 178 HE21 GLN 4 HE21 GLN 4 -40.393 14.221 -10.262 179 HE22 GLN 4 HE22 GLN 4 -38.804 14.651 -9.623 180 H HIS 5 H HIS 5 -35.214 13.658 -14.516 181 HA HIS 5 HA HIS 5 -32.710 14.923 -13.751 182 HB2 HIS 5 HB2 HIS 5 -34.242 15.507 -16.279 183 HB3 HIS 5 HB3 HIS 5 -32.512 15.373 -16.035 184 HD2 HIS 5 HD2 HIS 5 -35.170 13.672 -17.737 185 HE1 HIS 5 HE1 HIS 5 -32.849 10.348 -16.428 186 HE2 HIS 5 HE2 HIS 5 -34.703 11.095 -18.001 187 H LEU 6 H LEU 6 -34.939 15.855 -12.111 188 HA LEU 6 HA LEU 6 -36.055 18.124 -13.541 189 HB2 LEU 6 HB2 LEU 6 -37.372 16.344 -12.300 190 HB3 LEU 6 HB3 LEU 6 -36.935 17.169 -10.809 191 HG LEU 6 HG LEU 6 -39.188 17.706 -11.647 192 HD11 LEU 6 HD11 LEU 6 -37.496 20.218 -11.887 193 HD12 LEU 6 HD12 LEU 6 -39.192 20.082 -11.409 194 HD13 LEU 6 HD13 LEU 6 -37.921 19.446 -10.350 195 HD21 LEU 6 HD21 LEU 6 -38.670 17.522 -14.097 196 HD22 LEU 6 HD22 LEU 6 -39.612 18.952 -13.651 197 HD23 LEU 6 HD23 LEU 6 -37.894 19.124 -14.013 198 H CYS 7 H CYS 7 -35.182 19.902 -13.574 199 HA CYS 7 HA CYS 7 -33.091 20.942 -12.112 200 HB2 CYS 7 HB2 CYS 7 -34.006 21.420 -14.452 201 HB3 CYS 7 HB3 CYS 7 -35.214 22.440 -13.691 202 H GLY 8 H GLY 8 -32.814 22.576 -10.590 203 HA2 GLY 8 HA2 GLY 8 -33.469 24.601 -9.541 204 HA3 GLY 8 HA3 GLY 8 -35.154 24.118 -9.619 205 H SER 9 H SER 9 -35.782 24.316 -7.553 206 HA SER 9 HA SER 9 -34.106 24.309 -5.369 207 HB2 SER 9 HB2 SER 9 -37.101 23.840 -5.274 208 HB3 SER 9 HB3 SER 9 -36.077 24.533 -4.000 209 HG SER 9 HG SER 9 -37.105 26.153 -5.228 210 H HIS 10 H HIS 10 -35.790 21.420 -6.582 211 HA HIS 10 HA HIS 10 -35.635 19.786 -4.253 212 HB2 HIS 10 HB2 HIS 10 -35.306 18.982 -7.165 213 HB3 HIS 10 HB3 HIS 10 -35.730 17.920 -5.823 214 HD2 HIS 10 HD2 HIS 10 -37.929 20.216 -4.615 215 HE1 HIS 10 HE1 HIS 10 -40.080 19.018 -8.084 216 HE2 HIS 10 HE2 HIS 10 -40.252 20.157 -5.798 217 H LEU 11 H LEU 11 -33.091 20.806 -6.449 218 HA LEU 11 HA LEU 11 -31.117 18.933 -5.314 219 HB2 LEU 11 HB2 LEU 11 -30.680 21.287 -7.183 220 HB3 LEU 11 HB3 LEU 11 -29.551 20.018 -6.778 221 HG LEU 11 HG LEU 11 -30.156 19.264 -8.740 222 HD11 LEU 11 HD11 LEU 11 -32.569 18.050 -7.352 223 HD12 LEU 11 HD12 LEU 11 -31.700 17.417 -8.745 224 HD13 LEU 11 HD13 LEU 11 -30.904 17.474 -7.152 225 HD21 LEU 11 HD21 LEU 11 -31.736 21.087 -9.293 226 HD22 LEU 11 HD22 LEU 11 -32.183 19.525 -9.987 227 HD23 LEU 11 HD23 LEU 11 -33.049 20.132 -8.567 228 H VAL 12 H VAL 12 -32.298 22.071 -4.538 229 HA VAL 12 HA VAL 12 -30.089 22.818 -2.718 230 HB VAL 12 HB VAL 12 -32.548 24.086 -3.780 231 HG11 VAL 12 HG11 VAL 12 -33.321 24.133 -1.499 232 HG12 VAL 12 HG12 VAL 12 -31.749 24.725 -0.926 233 HG13 VAL 12 HG13 VAL 12 -32.762 25.740 -1.970 234 HG21 VAL 12 HG21 VAL 12 -30.270 24.695 -4.447 235 HG22 VAL 12 HG22 VAL 12 -31.137 26.059 -3.718 236 HG23 VAL 12 HG23 VAL 12 -29.910 25.188 -2.775 237 H GLU 13 H GLU 13 -33.381 21.392 -2.498 238 HA GLU 13 HA GLU 13 -33.294 20.901 0.333 239 HB2 GLU 13 HB2 GLU 13 -34.690 19.505 -1.962 240 HB3 GLU 13 HB3 GLU 13 -34.997 19.127 -0.255 241 HG2 GLU 13 HG2 GLU 13 -35.883 21.277 0.217 242 HG3 GLU 13 HG3 GLU 13 -35.264 21.987 -1.264 243 H ALA 14 H ALA 14 -32.189 18.858 -2.443 244 HA ALA 14 HA ALA 14 -31.049 16.812 -0.830 245 HB1 ALA 14 HB1 ALA 14 -30.181 17.788 -3.572 246 HB2 ALA 14 HB2 ALA 14 -29.825 16.201 -2.841 247 HB3 ALA 14 HB3 ALA 14 -31.496 16.633 -3.257 248 H LEU 15 H LEU 15 -29.767 20.050 -1.514 249 HA LEU 15 HA LEU 15 -27.126 19.459 -0.356 250 HB2 LEU 15 HB2 LEU 15 -28.570 21.998 -1.161 251 HB3 LEU 15 HB3 LEU 15 -27.103 22.066 -0.210 252 HG LEU 15 HG LEU 15 -27.068 20.446 -2.752 253 HD11 LEU 15 HD11 LEU 15 -26.344 22.492 -3.975 254 HD12 LEU 15 HD12 LEU 15 -28.041 22.558 -3.492 255 HD13 LEU 15 HD13 LEU 15 -26.827 23.482 -2.574 256 HD21 LEU 15 HD21 LEU 15 -25.113 20.484 -1.159 257 HD22 LEU 15 HD22 LEU 15 -24.713 21.169 -2.741 258 HD23 LEU 15 HD23 LEU 15 -25.018 22.244 -1.368 259 H TYR 16 H TYR 16 -30.259 20.767 0.922 260 HA TYR 16 HA TYR 16 -29.236 21.177 3.580 261 HB2 TYR 16 HB2 TYR 16 -31.994 20.773 2.438 262 HB3 TYR 16 HB3 TYR 16 -31.750 20.671 4.174 263 HD1 TYR 16 HD1 TYR 16 -30.519 22.580 5.372 264 HD2 TYR 16 HD2 TYR 16 -32.278 22.958 1.456 265 HE1 TYR 16 HE1 TYR 16 -30.525 25.053 5.620 266 HE2 TYR 16 HE2 TYR 16 -32.300 25.438 1.715 267 HH TYR 16 HH TYR 16 -30.965 27.046 4.606 268 H LEU 17 H LEU 17 -30.289 18.195 1.965 269 HA LEU 17 HA LEU 17 -30.190 16.597 4.386 270 HB2 LEU 17 HB2 LEU 17 -30.239 15.910 1.428 271 HB3 LEU 17 HB3 LEU 17 -30.351 14.701 2.699 272 HG LEU 17 HG LEU 17 -32.368 16.969 2.373 273 HD11 LEU 17 HD11 LEU 17 -32.563 14.058 1.507 274 HD12 LEU 17 HD12 LEU 17 -33.850 15.284 1.402 275 HD13 LEU 17 HD13 LEU 17 -32.392 15.458 0.420 276 HD21 LEU 17 HD21 LEU 17 -33.781 15.551 3.817 277 HD22 LEU 17 HD22 LEU 17 -32.435 14.404 4.014 278 HD23 LEU 17 HD23 LEU 17 -32.312 16.061 4.650 279 H VAL 18 H VAL 18 -27.601 17.998 2.957 280 HA VAL 18 HA VAL 18 -25.700 15.804 3.770 281 HB VAL 18 HB VAL 18 -25.705 17.473 1.228 282 HG11 VAL 18 HG11 VAL 18 -23.545 15.537 2.158 283 HG12 VAL 18 HG12 VAL 18 -23.651 16.322 0.577 284 HG13 VAL 18 HG13 VAL 18 -23.361 17.302 2.000 285 HG21 VAL 18 HG21 VAL 18 -25.828 14.463 1.678 286 HG22 VAL 18 HG22 VAL 18 -27.145 15.495 1.067 287 HG23 VAL 18 HG23 VAL 18 -25.686 15.261 0.100 288 H CYS 19 H CYS 19 -26.022 19.216 2.944 289 HA CYS 19 HA CYS 19 -23.545 19.922 4.432 290 HB2 CYS 19 HB2 CYS 19 -23.478 20.262 2.081 291 HB3 CYS 19 HB3 CYS 19 -25.041 21.078 2.082 292 H GLY 20 H GLY 20 -26.824 21.105 3.822 293 HA2 GLY 20 HA2 GLY 20 -28.109 22.764 4.890 294 HA3 GLY 20 HA3 GLY 20 -27.993 21.493 6.104 295 H GLU 21 H GLU 21 -26.660 21.749 7.799 296 HA GLU 21 HA GLU 21 -26.574 23.936 9.449 297 HB2 GLU 21 HB2 GLU 21 -26.202 21.639 10.089 298 HB3 GLU 21 HB3 GLU 21 -24.852 21.508 8.979 299 HG2 GLU 21 HG2 GLU 21 -23.576 23.129 10.514 300 HG3 GLU 21 HG3 GLU 21 -24.905 22.918 11.661 301 H ARG 22 H ARG 22 -23.969 23.027 7.129 302 HA ARG 22 HA ARG 22 -22.288 25.249 8.109 303 HB2 ARG 22 HB2 ARG 22 -21.753 23.100 6.019 304 HB3 ARG 22 HB3 ARG 22 -20.599 24.310 6.558 305 HG2 ARG 22 HG2 ARG 22 -19.917 22.721 7.994 306 HG3 ARG 22 HG3 ARG 22 -21.215 23.352 8.994 307 HD2 ARG 22 HD2 ARG 22 -21.300 20.938 9.009 308 HD3 ARG 22 HD3 ARG 22 -22.709 21.526 8.115 309 HE ARG 22 HE ARG 22 -20.501 21.065 6.318 310 HH11 ARG 22 HH11 ARG 22 -22.837 19.163 8.158 311 HH12 ARG 22 HH12 ARG 22 -23.061 18.051 6.799 312 HH21 ARG 22 HH21 ARG 22 -20.884 19.697 4.746 313 HH22 ARG 22 HH22 ARG 22 -21.857 18.246 4.970 314 H GLY 23 H GLY 23 -24.669 25.169 5.752 315 HA2 GLY 23 HA2 GLY 23 -25.318 26.895 4.337 316 HA3 GLY 23 HA3 GLY 23 -23.857 27.789 4.755 317 H PHE 24 H PHE 24 -25.007 27.701 2.172 318 HA PHE 24 HA PHE 24 -23.472 25.706 0.601 319 HB2 PHE 24 HB2 PHE 24 -25.730 27.523 -0.270 320 HB3 PHE 24 HB3 PHE 24 -25.024 26.207 -1.184 321 HD1 PHE 24 HD1 PHE 24 -25.306 24.701 1.998 322 HD2 PHE 24 HD2 PHE 24 -27.758 26.246 -1.206 323 HE1 PHE 24 HE1 PHE 24 -27.181 23.327 2.767 324 HE2 PHE 24 HE2 PHE 24 -29.627 24.819 -0.426 325 HZ PHE 24 HZ PHE 24 -29.352 23.369 1.557 326 H PHE 25 H PHE 25 -21.489 26.365 -0.083 327 HA PHE 25 HA PHE 25 -20.818 29.129 -0.330 328 HB2 PHE 25 HB2 PHE 25 -19.220 27.364 0.311 329 HB3 PHE 25 HB3 PHE 25 -19.279 26.701 -1.322 330 HD1 PHE 25 HD1 PHE 25 -17.961 27.701 -3.100 331 HD2 PHE 25 HD2 PHE 25 -18.346 29.701 0.697 332 HE1 PHE 25 HE1 PHE 25 -16.231 29.353 -3.792 333 HE2 PHE 25 HE2 PHE 25 -16.628 31.359 0.000 334 HZ PHE 25 HZ PHE 25 -15.569 31.188 -2.249 335 H TYR 26 H TYR 26 -21.590 26.741 -2.792 336 HA TYR 26 HA TYR 26 -22.283 26.901 -4.918 337 HB2 TYR 26 HB2 TYR 26 -23.978 27.678 -3.068 338 HB3 TYR 26 HB3 TYR 26 -23.975 29.187 -3.954 339 HD1 TYR 26 HD1 TYR 26 -24.516 29.060 -6.512 340 HD2 TYR 26 HD2 TYR 26 -25.280 25.850 -3.721 341 HE1 TYR 26 HE1 TYR 26 -26.082 27.990 -8.144 342 HE2 TYR 26 HE2 TYR 26 -26.808 24.779 -5.361 343 HH TYR 26 HH TYR 26 -27.999 25.175 -7.302 344 H THR 27 H THR 27 -20.451 27.508 -6.201 345 HA THR 27 HA THR 27 -19.920 30.293 -6.811 346 HB THR 27 HB THR 27 -18.181 29.452 -8.301 347 HG1 THR 27 HG1 THR 27 -18.004 27.048 -8.254 348 HG21 THR 27 HG21 THR 27 -16.825 28.220 -6.742 349 HG22 THR 27 HG22 THR 27 -17.758 29.418 -5.843 350 HG23 THR 27 HG23 THR 27 -18.243 27.709 -5.802 351 HA PRO 28 HA PRO 28 -18.772 31.379 -8.638 352 HB2 PRO 28 HB2 PRO 28 -19.028 33.360 -10.408 353 HB3 PRO 28 HB3 PRO 28 -18.660 31.691 -10.957 354 HG2 PRO 28 HG2 PRO 28 -21.371 33.070 -10.865 355 HG3 PRO 28 HG3 PRO 28 -20.627 32.188 -12.235 356 HD2 PRO 28 HD2 PRO 28 -22.401 31.032 -10.456 357 HD3 PRO 28 HD3 PRO 28 -21.110 30.109 -11.280 358 H LYS 29 H LYS 29 -18.316 33.400 -7.779 359 HA LYS 29 HA LYS 29 -20.339 35.422 -7.279 360 HB2 LYS 29 HB2 LYS 29 -18.599 34.411 -4.979 361 HB3 LYS 29 HB3 LYS 29 -19.617 35.822 -4.960 362 HG2 LYS 29 HG2 LYS 29 -20.759 34.348 -3.671 363 HG3 LYS 29 HG3 LYS 29 -21.633 34.343 -5.197 364 HD2 LYS 29 HD2 LYS 29 -21.398 32.102 -4.106 365 HD3 LYS 29 HD3 LYS 29 -20.809 32.163 -5.740 366 HE2 LYS 29 HE2 LYS 29 -19.227 30.876 -4.589 367 HE3 LYS 29 HE3 LYS 29 -18.433 32.450 -4.787 368 HZ1 LYS 29 HZ1 LYS 29 -18.210 31.576 -2.538 369 HZ2 LYS 29 HZ2 LYS 29 -19.144 32.945 -2.495 370 HZ3 LYS 29 HZ3 LYS 29 -19.833 31.425 -2.405 371 H ALA 30 H ALA 30 -18.590 37.122 -5.922 372 HA ALA 30 HA ALA 30 -15.820 36.635 -6.842 373 HB1 ALA 30 HB1 ALA 30 -15.230 38.533 -5.393 374 HB2 ALA 30 HB2 ALA 30 -16.407 39.053 -6.617 375 HB3 ALA 30 HB3 ALA 30 -16.932 38.758 -4.940 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -22.855 27.752 -11.673 2 H2 GLY 1 H2 GLY 1 -21.679 27.102 -10.718 3 H3 GLY 1 H3 GLY 1 -22.445 28.463 -10.227 4 HA2 GLY 1 HA2 GLY 1 -23.246 26.527 -9.020 5 HA3 GLY 1 HA3 GLY 1 -24.523 27.302 -9.990 6 H ILE 2 H ILE 2 -23.239 24.305 -9.253 7 HA ILE 2 HA ILE 2 -23.023 23.170 -11.887 8 HB ILE 2 HB ILE 2 -21.685 22.610 -9.884 9 HG12 ILE 2 HG12 ILE 2 -23.013 20.055 -10.834 10 HG13 ILE 2 HG13 ILE 2 -22.001 21.036 -11.898 11 HG21 ILE 2 HG21 ILE 2 -24.111 21.048 -8.889 12 HG22 ILE 2 HG22 ILE 2 -22.519 21.179 -8.125 13 HG23 ILE 2 HG23 ILE 2 -23.555 22.590 -8.195 14 HD11 ILE 2 HD11 ILE 2 -20.684 19.242 -10.902 15 HD12 ILE 2 HD12 ILE 2 -20.094 20.814 -10.335 16 HD13 ILE 2 HD13 ILE 2 -21.084 19.796 -9.268 17 H VAL 3 H VAL 3 -25.894 23.814 -10.247 18 HA VAL 3 HA VAL 3 -27.098 21.298 -10.159 19 HB VAL 3 HB VAL 3 -27.687 23.308 -8.848 20 HG11 VAL 3 HG11 VAL 3 -29.317 24.915 -9.666 21 HG12 VAL 3 HG12 VAL 3 -27.886 24.956 -10.711 22 HG13 VAL 3 HG13 VAL 3 -29.357 24.131 -11.258 23 HG21 VAL 3 HG21 VAL 3 -30.004 22.764 -8.538 24 HG22 VAL 3 HG22 VAL 3 -30.116 22.028 -10.147 25 HG23 VAL 3 HG23 VAL 3 -29.111 21.271 -8.893 26 H GLU 4 H GLU 4 -26.832 23.179 -13.077 27 HA GLU 4 HA GLU 4 -29.010 22.008 -14.543 28 HB2 GLU 4 HB2 GLU 4 -27.808 22.718 -16.498 29 HB3 GLU 4 HB3 GLU 4 -27.673 23.953 -15.244 30 HG2 GLU 4 HG2 GLU 4 -25.395 22.726 -14.672 31 HG3 GLU 4 HG3 GLU 4 -25.561 22.030 -16.284 32 H GLN 5 H GLN 5 -25.838 20.736 -13.614 33 HA GLN 5 HA GLN 5 -25.958 18.361 -15.282 34 HB2 GLN 5 HB2 GLN 5 -24.274 19.024 -12.838 35 HB3 GLN 5 HB3 GLN 5 -24.026 17.632 -13.883 36 HG2 GLN 5 HG2 GLN 5 -23.868 20.467 -14.980 37 HG3 GLN 5 HG3 GLN 5 -22.510 19.642 -14.235 38 HE21 GLN 5 HE21 GLN 5 -21.753 18.360 -17.429 39 HE22 GLN 5 HE22 GLN 5 -21.192 19.348 -16.075 40 H CYS 6 H CYS 6 -27.801 19.168 -12.619 41 HA CYS 6 HA CYS 6 -28.404 16.299 -12.025 42 HB2 CYS 6 HB2 CYS 6 -29.264 18.892 -10.736 43 HB3 CYS 6 HB3 CYS 6 -30.004 17.333 -10.380 44 H CYS 7 H CYS 7 -29.523 19.008 -13.890 45 HA CYS 7 HA CYS 7 -32.270 17.956 -14.142 46 HB2 CYS 7 HB2 CYS 7 -30.953 20.412 -15.355 47 HB3 CYS 7 HB3 CYS 7 -32.681 20.038 -15.263 48 H ALA 8 H ALA 8 -29.282 17.722 -15.829 49 HA ALA 8 HA ALA 8 -30.403 16.400 -18.197 50 HB1 ALA 8 HB1 ALA 8 -28.049 15.838 -18.615 51 HB2 ALA 8 HB2 ALA 8 -28.181 17.542 -18.170 52 HB3 ALA 8 HB3 ALA 8 -27.600 16.368 -16.973 53 H SER 9 H SER 9 -28.452 14.078 -17.726 54 HA SER 9 HA SER 9 -30.261 12.115 -16.735 55 HB2 SER 9 HB2 SER 9 -27.227 11.987 -16.952 56 HB3 SER 9 HB3 SER 9 -28.330 10.603 -16.850 57 HG SER 9 HG SER 9 -29.145 11.168 -18.883 58 H VAL 10 H VAL 10 -31.031 12.356 -14.740 59 HA VAL 10 HA VAL 10 -30.234 13.989 -12.938 60 HB VAL 10 HB VAL 10 -31.625 11.543 -11.840 61 HG11 VAL 10 HG11 VAL 10 -31.112 13.433 -10.284 62 HG12 VAL 10 HG12 VAL 10 -31.962 14.540 -11.379 63 HG13 VAL 10 HG13 VAL 10 -32.856 13.267 -10.561 64 HG21 VAL 10 HG21 VAL 10 -32.822 13.659 -13.662 65 HG22 VAL 10 HG22 VAL 10 -32.768 11.903 -13.948 66 HG23 VAL 10 HG23 VAL 10 -33.761 12.543 -12.644 67 H CYS 11 H CYS 11 -28.577 14.370 -11.907 68 HA CYS 11 HA CYS 11 -26.277 13.169 -11.569 69 HB2 CYS 11 HB2 CYS 11 -25.760 14.882 -9.860 70 HB3 CYS 11 HB3 CYS 11 -26.696 15.527 -11.181 71 H SER 12 H SER 12 -24.899 12.758 -9.716 72 HA SER 12 HA SER 12 -26.163 11.343 -7.416 73 HB2 SER 12 HB2 SER 12 -24.770 9.811 -8.808 74 HB3 SER 12 HB3 SER 12 -23.364 10.836 -8.442 75 HG SER 12 HG SER 12 -23.423 9.235 -6.895 76 H LEU 13 H LEU 13 -24.774 11.505 -5.453 77 HA LEU 13 HA LEU 13 -25.199 14.127 -4.560 78 HB2 LEU 13 HB2 LEU 13 -23.557 11.956 -3.209 79 HB3 LEU 13 HB3 LEU 13 -24.334 13.316 -2.415 80 HG LEU 13 HG LEU 13 -25.771 11.021 -3.827 81 HD11 LEU 13 HD11 LEU 13 -26.452 10.356 -1.572 82 HD12 LEU 13 HD12 LEU 13 -24.684 10.369 -1.720 83 HD13 LEU 13 HD13 LEU 13 -25.508 11.692 -0.874 84 HD21 LEU 13 HD21 LEU 13 -26.934 13.314 -2.198 85 HD22 LEU 13 HD22 LEU 13 -27.134 13.086 -3.948 86 HD23 LEU 13 HD23 LEU 13 -27.824 11.917 -2.814 87 H TYR 14 H TYR 14 -22.131 12.771 -5.606 88 HA TYR 14 HA TYR 14 -20.336 14.391 -4.360 89 HB2 TYR 14 HB2 TYR 14 -19.685 13.875 -7.207 90 HB3 TYR 14 HB3 TYR 14 -18.782 13.507 -5.751 91 HD1 TYR 14 HD1 TYR 14 -20.171 11.627 -4.197 92 HD2 TYR 14 HD2 TYR 14 -20.278 12.037 -8.495 93 HE1 TYR 14 HE1 TYR 14 -21.012 9.302 -4.399 94 HE2 TYR 14 HE2 TYR 14 -21.097 9.688 -8.697 95 HH TYR 14 HH TYR 14 -21.418 7.555 -5.929 96 H GLN 15 H GLN 15 -22.361 15.374 -7.073 97 HA GLN 15 HA GLN 15 -21.005 17.856 -7.754 98 HB2 GLN 15 HB2 GLN 15 -23.938 17.029 -7.958 99 HB3 GLN 15 HB3 GLN 15 -23.233 18.465 -8.698 100 HG2 GLN 15 HG2 GLN 15 -21.782 17.030 -10.118 101 HG3 GLN 15 HG3 GLN 15 -22.512 15.587 -9.396 102 HE21 GLN 15 HE21 GLN 15 -24.504 16.054 -12.440 103 HE22 GLN 15 HE22 GLN 15 -22.905 15.430 -12.006 104 H LEU 16 H LEU 16 -23.218 16.899 -5.203 105 HA LEU 16 HA LEU 16 -23.933 19.658 -4.460 106 HB2 LEU 16 HB2 LEU 16 -24.704 17.053 -3.105 107 HB3 LEU 16 HB3 LEU 16 -25.500 18.597 -2.962 108 HG LEU 16 HG LEU 16 -25.473 16.742 -5.386 109 HD11 LEU 16 HD11 LEU 16 -27.737 17.663 -3.595 110 HD12 LEU 16 HD12 LEU 16 -27.865 16.548 -4.977 111 HD13 LEU 16 HD13 LEU 16 -26.948 16.075 -3.535 112 HD21 LEU 16 HD21 LEU 16 -26.983 18.213 -6.547 113 HD22 LEU 16 HD22 LEU 16 -27.008 19.371 -5.210 114 HD23 LEU 16 HD23 LEU 16 -25.528 19.131 -6.166 115 H GLU 17 H GLU 17 -22.055 16.867 -3.207 116 HA GLU 17 HA GLU 17 -21.028 18.004 -0.817 117 HB2 GLU 17 HB2 GLU 17 -19.680 16.148 -2.823 118 HB3 GLU 17 HB3 GLU 17 -19.146 16.410 -1.164 119 HG2 GLU 17 HG2 GLU 17 -21.031 15.288 -0.238 120 HG3 GLU 17 HG3 GLU 17 -21.930 15.341 -1.750 121 H ASN 18 H ASN 18 -19.924 18.343 -4.167 122 HA ASN 18 HA ASN 18 -17.628 19.917 -3.803 123 HB2 ASN 18 HB2 ASN 18 -18.582 18.629 -5.824 124 HB3 ASN 18 HB3 ASN 18 -19.567 20.046 -6.155 125 HD21 ASN 18 HD21 ASN 18 -15.949 21.445 -6.822 126 HD22 ASN 18 HD22 ASN 18 -16.942 21.745 -5.378 127 H TYR 19 H TYR 19 -20.734 21.005 -2.892 128 HA TYR 19 HA TYR 19 -20.066 23.857 -3.518 129 HB2 TYR 19 HB2 TYR 19 -22.394 22.201 -4.258 130 HB3 TYR 19 HB3 TYR 19 -22.839 23.722 -3.527 131 HD1 TYR 19 HD1 TYR 19 -23.206 25.492 -4.983 132 HD2 TYR 19 HD2 TYR 19 -20.321 22.495 -6.065 133 HE1 TYR 19 HE1 TYR 19 -22.674 26.751 -7.074 134 HE2 TYR 19 HE2 TYR 19 -19.766 23.748 -8.131 135 HH TYR 19 HH TYR 19 -20.078 26.606 -8.669 136 H CYS 20 H CYS 20 -20.276 22.037 -0.821 137 HA CYS 20 HA CYS 20 -21.772 23.945 0.849 138 HB2 CYS 20 HB2 CYS 20 -21.778 21.402 1.052 139 HB3 CYS 20 HB3 CYS 20 -20.169 21.552 1.761 140 H ASN 21 H ASN 21 -20.557 24.345 3.132 141 HA ASN 21 HA ASN 21 -17.670 24.954 2.850 142 HB2 ASN 21 HB2 ASN 21 -19.837 26.870 3.846 143 HB3 ASN 21 HB3 ASN 21 -18.201 26.928 4.489 144 HD21 ASN 21 HD21 ASN 21 -17.423 27.756 0.755 145 HD22 ASN 21 HD22 ASN 21 -17.730 26.111 1.307 146 H1 PHE 1 H1 PHE 1 -29.352 10.893 -9.308 147 H2 PHE 1 H2 PHE 1 -30.857 11.550 -9.315 148 H3 PHE 1 H3 PHE 1 -30.674 9.934 -9.517 149 HA PHE 1 HA PHE 1 -29.977 9.569 -7.338 150 HB2 PHE 1 HB2 PHE 1 -28.566 11.350 -6.812 151 HB3 PHE 1 HB3 PHE 1 -29.791 12.573 -7.176 152 HD1 PHE 1 HD1 PHE 1 -29.677 9.504 -4.944 153 HD2 PHE 1 HD2 PHE 1 -30.307 13.777 -5.227 154 HE1 PHE 1 HE1 PHE 1 -30.289 9.584 -2.547 155 HE2 PHE 1 HE2 PHE 1 -30.909 13.828 -2.819 156 HZ PHE 1 HZ PHE 1 -30.899 11.745 -1.484 157 H VAL 2 H VAL 2 -32.037 12.443 -6.858 158 HA VAL 2 HA VAL 2 -34.380 10.890 -6.208 159 HB VAL 2 HB VAL 2 -33.852 13.231 -5.463 160 HG11 VAL 2 HG11 VAL 2 -33.135 14.225 -7.605 161 HG12 VAL 2 HG12 VAL 2 -34.779 14.053 -8.245 162 HG13 VAL 2 HG13 VAL 2 -34.467 15.126 -6.870 163 HG21 VAL 2 HG21 VAL 2 -36.580 12.889 -6.745 164 HG22 VAL 2 HG22 VAL 2 -36.074 12.226 -5.181 165 HG23 VAL 2 HG23 VAL 2 -36.144 13.979 -5.426 166 H ASN 3 H ASN 3 -36.353 10.936 -7.502 167 HA ASN 3 HA ASN 3 -35.695 9.453 -9.809 168 HB2 ASN 3 HB2 ASN 3 -38.450 10.177 -8.723 169 HB3 ASN 3 HB3 ASN 3 -38.055 8.815 -9.762 170 HD21 ASN 3 HD21 ASN 3 -37.693 6.869 -8.695 171 HD22 ASN 3 HD22 ASN 3 -37.309 6.801 -6.973 172 H GLN 4 H GLN 4 -36.365 12.809 -9.813 173 HA GLN 4 HA GLN 4 -37.364 12.630 -12.617 174 HB2 GLN 4 HB2 GLN 4 -39.000 14.139 -12.249 175 HB3 GLN 4 HB3 GLN 4 -39.014 13.287 -10.719 176 HG2 GLN 4 HG2 GLN 4 -37.838 16.031 -11.308 177 HG3 GLN 4 HG3 GLN 4 -39.283 15.690 -10.378 178 HE21 GLN 4 HE21 GLN 4 -36.251 16.373 -8.181 179 HE22 GLN 4 HE22 GLN 4 -36.812 17.243 -9.598 180 H HIS 5 H HIS 5 -36.559 13.863 -14.167 181 HA HIS 5 HA HIS 5 -34.189 15.470 -13.848 182 HB2 HIS 5 HB2 HIS 5 -36.059 15.476 -16.233 183 HB3 HIS 5 HB3 HIS 5 -34.313 15.697 -16.207 184 HD2 HIS 5 HD2 HIS 5 -32.939 13.585 -16.835 185 HE1 HIS 5 HE1 HIS 5 -35.944 10.592 -16.309 186 HE2 HIS 5 HE2 HIS 5 -33.561 11.024 -17.112 187 H LEU 6 H LEU 6 -37.405 16.272 -13.214 188 HA LEU 6 HA LEU 6 -37.656 18.844 -14.336 189 HB2 LEU 6 HB2 LEU 6 -39.438 17.287 -13.319 190 HB3 LEU 6 HB3 LEU 6 -38.974 17.928 -11.753 191 HG LEU 6 HG LEU 6 -40.988 18.946 -12.631 192 HD11 LEU 6 HD11 LEU 6 -38.825 21.080 -12.642 193 HD12 LEU 6 HD12 LEU 6 -40.535 21.255 -12.238 194 HD13 LEU 6 HD13 LEU 6 -39.469 20.314 -11.175 195 HD21 LEU 6 HD21 LEU 6 -40.437 18.783 -15.057 196 HD22 LEU 6 HD22 LEU 6 -41.061 20.366 -14.567 197 HD23 LEU 6 HD23 LEU 6 -39.330 20.166 -14.872 198 H CYS 7 H CYS 7 -36.297 20.371 -14.079 199 HA CYS 7 HA CYS 7 -34.371 20.509 -12.045 200 HB2 CYS 7 HB2 CYS 7 -34.429 21.221 -14.562 201 HB3 CYS 7 HB3 CYS 7 -35.093 22.743 -13.974 202 H GLY 8 H GLY 8 -34.303 21.615 -10.075 203 HA2 GLY 8 HA2 GLY 8 -35.247 24.206 -9.599 204 HA3 GLY 8 HA3 GLY 8 -36.590 23.134 -9.211 205 H SER 9 H SER 9 -36.331 24.185 -7.134 206 HA SER 9 HA SER 9 -34.193 23.969 -5.392 207 HB2 SER 9 HB2 SER 9 -37.128 23.876 -4.611 208 HB3 SER 9 HB3 SER 9 -35.763 24.421 -3.614 209 HG SER 9 HG SER 9 -36.758 26.196 -4.567 210 H HIS 10 H HIS 10 -36.276 21.251 -6.286 211 HA HIS 10 HA HIS 10 -35.903 19.598 -4.038 212 HB2 HIS 10 HB2 HIS 10 -35.818 18.673 -6.922 213 HB3 HIS 10 HB3 HIS 10 -36.387 17.778 -5.509 214 HD2 HIS 10 HD2 HIS 10 -38.707 18.846 -4.320 215 HE1 HIS 10 HE1 HIS 10 -39.963 21.003 -7.775 216 HE2 HIS 10 HE2 HIS 10 -40.683 20.119 -5.483 217 H LEU 11 H LEU 11 -33.546 20.467 -6.524 218 HA LEU 11 HA LEU 11 -31.543 18.543 -5.549 219 HB2 LEU 11 HB2 LEU 11 -31.363 20.853 -7.516 220 HB3 LEU 11 HB3 LEU 11 -30.052 19.751 -7.126 221 HG LEU 11 HG LEU 11 -30.856 19.054 -9.162 222 HD11 LEU 11 HD11 LEU 11 -32.217 17.156 -7.208 223 HD12 LEU 11 HD12 LEU 11 -31.677 16.774 -8.848 224 HD13 LEU 11 HD13 LEU 11 -30.477 17.168 -7.595 225 HD21 LEU 11 HD21 LEU 11 -33.039 20.198 -9.185 226 HD22 LEU 11 HD22 LEU 11 -33.062 18.564 -9.867 227 HD23 LEU 11 HD23 LEU 11 -33.726 18.848 -8.251 228 H VAL 12 H VAL 12 -32.568 21.699 -4.638 229 HA VAL 12 HA VAL 12 -30.146 22.300 -3.055 230 HB VAL 12 HB VAL 12 -32.801 23.770 -3.130 231 HG11 VAL 12 HG11 VAL 12 -31.633 24.134 -1.003 232 HG12 VAL 12 HG12 VAL 12 -30.123 24.483 -1.866 233 HG13 VAL 12 HG13 VAL 12 -31.518 25.578 -2.006 234 HG21 VAL 12 HG21 VAL 12 -31.607 23.957 -5.282 235 HG22 VAL 12 HG22 VAL 12 -31.518 25.480 -4.391 236 HG23 VAL 12 HG23 VAL 12 -30.110 24.392 -4.428 237 H GLU 13 H GLU 13 -33.485 21.067 -2.599 238 HA GLU 13 HA GLU 13 -33.216 20.489 0.209 239 HB2 GLU 13 HB2 GLU 13 -34.894 19.256 -1.982 240 HB3 GLU 13 HB3 GLU 13 -35.043 18.827 -0.271 241 HG2 GLU 13 HG2 GLU 13 -35.734 20.994 0.379 242 HG3 GLU 13 HG3 GLU 13 -35.221 21.738 -1.126 243 H ALA 14 H ALA 14 -32.337 18.530 -2.699 244 HA ALA 14 HA ALA 14 -31.104 16.421 -1.246 245 HB1 ALA 14 HB1 ALA 14 -30.306 17.557 -3.947 246 HB2 ALA 14 HB2 ALA 14 -29.910 15.950 -3.311 247 HB3 ALA 14 HB3 ALA 14 -31.602 16.371 -3.670 248 H LEU 15 H LEU 15 -29.691 19.629 -2.131 249 HA LEU 15 HA LEU 15 -27.078 19.126 -1.058 250 HB2 LEU 15 HB2 LEU 15 -28.718 21.565 -1.690 251 HB3 LEU 15 HB3 LEU 15 -27.324 21.776 -0.682 252 HG LEU 15 HG LEU 15 -26.967 20.265 -3.239 253 HD11 LEU 15 HD11 LEU 15 -26.444 22.423 -4.389 254 HD12 LEU 15 HD12 LEU 15 -28.163 22.190 -4.052 255 HD13 LEU 15 HD13 LEU 15 -27.203 23.284 -3.020 256 HD21 LEU 15 HD21 LEU 15 -25.114 20.531 -1.569 257 HD22 LEU 15 HD22 LEU 15 -24.741 21.331 -3.104 258 HD23 LEU 15 HD23 LEU 15 -25.264 22.291 -1.710 259 H TYR 16 H TYR 16 -30.058 20.355 0.595 260 HA TYR 16 HA TYR 16 -28.807 20.594 3.183 261 HB2 TYR 16 HB2 TYR 16 -31.696 20.133 2.380 262 HB3 TYR 16 HB3 TYR 16 -31.181 20.227 4.056 263 HD1 TYR 16 HD1 TYR 16 -29.788 22.326 4.794 264 HD2 TYR 16 HD2 TYR 16 -32.307 22.165 1.295 265 HE1 TYR 16 HE1 TYR 16 -29.851 24.798 4.725 266 HE2 TYR 16 HE2 TYR 16 -32.401 24.648 1.252 267 HH TYR 16 HH TYR 16 -30.674 26.613 3.674 268 H LEU 17 H LEU 17 -30.295 17.764 1.568 269 HA LEU 17 HA LEU 17 -29.876 15.977 3.813 270 HB2 LEU 17 HB2 LEU 17 -30.301 15.514 0.841 271 HB3 LEU 17 HB3 LEU 17 -30.233 14.211 2.016 272 HG LEU 17 HG LEU 17 -32.259 16.479 2.259 273 HD11 LEU 17 HD11 LEU 17 -32.571 13.790 0.868 274 HD12 LEU 17 HD12 LEU 17 -33.881 14.945 1.221 275 HD13 LEU 17 HD13 LEU 17 -32.597 15.397 0.098 276 HD21 LEU 17 HD21 LEU 17 -33.491 14.835 3.612 277 HD22 LEU 17 HD22 LEU 17 -32.191 13.643 3.380 278 HD23 LEU 17 HD23 LEU 17 -31.891 15.133 4.302 279 H VAL 18 H VAL 18 -27.623 17.243 1.508 280 HA VAL 18 HA VAL 18 -25.638 15.093 2.044 281 HB VAL 18 HB VAL 18 -25.896 17.315 0.015 282 HG11 VAL 18 HG11 VAL 18 -23.363 15.706 0.493 283 HG12 VAL 18 HG12 VAL 18 -23.718 16.669 -0.952 284 HG13 VAL 18 HG13 VAL 18 -23.531 17.474 0.606 285 HG21 VAL 18 HG21 VAL 18 -25.368 14.315 -0.179 286 HG22 VAL 18 HG22 VAL 18 -26.951 15.096 -0.383 287 HG23 VAL 18 HG23 VAL 18 -25.650 15.420 -1.540 288 H CYS 19 H CYS 19 -26.200 18.458 2.953 289 HA CYS 19 HA CYS 19 -23.765 18.257 4.685 290 HB2 CYS 19 HB2 CYS 19 -23.322 19.345 2.411 291 HB3 CYS 19 HB3 CYS 19 -24.288 20.702 2.992 292 H GLY 20 H GLY 20 -26.978 19.550 4.349 293 HA2 GLY 20 HA2 GLY 20 -28.408 20.555 5.786 294 HA3 GLY 20 HA3 GLY 20 -27.472 19.719 7.013 295 H GLU 21 H GLU 21 -25.960 20.842 8.181 296 HA GLU 21 HA GLU 21 -27.157 23.075 9.288 297 HB2 GLU 21 HB2 GLU 21 -25.717 21.148 10.248 298 HB3 GLU 21 HB3 GLU 21 -24.308 22.059 9.735 299 HG2 GLU 21 HG2 GLU 21 -24.649 22.400 12.068 300 HG3 GLU 21 HG3 GLU 21 -24.996 23.923 11.264 301 H ARG 22 H ARG 22 -24.548 23.113 6.995 302 HA ARG 22 HA ARG 22 -23.674 25.842 7.856 303 HB2 ARG 22 HB2 ARG 22 -22.283 23.600 6.354 304 HB3 ARG 22 HB3 ARG 22 -21.568 25.197 6.605 305 HG2 ARG 22 HG2 ARG 22 -21.148 24.866 8.821 306 HG3 ARG 22 HG3 ARG 22 -22.630 23.978 9.108 307 HD2 ARG 22 HD2 ARG 22 -20.836 22.497 9.517 308 HD3 ARG 22 HD3 ARG 22 -21.657 21.961 8.036 309 HE ARG 22 HE ARG 22 -19.737 23.426 6.912 310 HH11 ARG 22 HH11 ARG 22 -19.322 21.043 9.443 311 HH12 ARG 22 HH12 ARG 22 -17.670 20.722 8.944 312 HH21 ARG 22 HH21 ARG 22 -17.671 23.040 6.422 313 HH22 ARG 22 HH22 ARG 22 -16.748 21.851 7.275 314 H GLY 23 H GLY 23 -25.690 24.728 5.539 315 HA2 GLY 23 HA2 GLY 23 -26.542 25.683 3.598 316 HA3 GLY 23 HA3 GLY 23 -25.653 27.160 3.996 317 H PHE 24 H PHE 24 -25.364 27.285 1.627 318 HA PHE 24 HA PHE 24 -23.191 25.542 0.574 319 HB2 PHE 24 HB2 PHE 24 -25.497 26.361 -1.166 320 HB3 PHE 24 HB3 PHE 24 -24.379 25.016 -1.365 321 HD1 PHE 24 HD1 PHE 24 -24.517 23.281 0.810 322 HD2 PHE 24 HD2 PHE 24 -27.694 25.847 -0.600 323 HE1 PHE 24 HE1 PHE 24 -26.160 22.004 2.163 324 HE2 PHE 24 HE2 PHE 24 -29.341 24.506 0.683 325 HZ PHE 24 HZ PHE 24 -28.556 22.635 2.111 326 H PHE 25 H PHE 25 -21.595 26.609 -0.554 327 HA PHE 25 HA PHE 25 -21.520 29.461 -0.205 328 HB2 PHE 25 HB2 PHE 25 -19.547 28.013 -0.149 329 HB3 PHE 25 HB3 PHE 25 -19.737 27.615 -1.844 330 HD1 PHE 25 HD1 PHE 25 -18.987 29.160 -3.597 331 HD2 PHE 25 HD2 PHE 25 -18.811 30.286 0.563 332 HE1 PHE 25 HE1 PHE 25 -17.492 31.044 -4.175 333 HE2 PHE 25 HE2 PHE 25 -17.305 32.171 -0.016 334 HZ PHE 25 HZ PHE 25 -16.633 32.550 -2.389 335 H TYR 26 H TYR 26 -22.002 27.431 -3.037 336 HA TYR 26 HA TYR 26 -22.370 27.775 -5.196 337 HB2 TYR 26 HB2 TYR 26 -24.239 29.711 -3.970 338 HB3 TYR 26 HB3 TYR 26 -23.907 29.940 -5.675 339 HD1 TYR 26 HD1 TYR 26 -24.913 28.580 -7.323 340 HD2 TYR 26 HD2 TYR 26 -24.955 27.340 -3.198 341 HE1 TYR 26 HE1 TYR 26 -26.352 26.609 -7.922 342 HE2 TYR 26 HE2 TYR 26 -26.382 25.385 -3.793 343 HH TYR 26 HH TYR 26 -27.425 24.239 -5.515 344 H THR 27 H THR 27 -20.629 28.023 -6.321 345 HA THR 27 HA THR 27 -19.429 30.676 -6.780 346 HB THR 27 HB THR 27 -17.875 29.576 -8.224 347 HG1 THR 27 HG1 THR 27 -17.995 27.486 -8.715 348 HG21 THR 27 HG21 THR 27 -18.305 27.595 -5.942 349 HG22 THR 27 HG22 THR 27 -16.795 27.977 -6.796 350 HG23 THR 27 HG23 THR 27 -17.532 29.180 -5.735 351 HA PRO 28 HA PRO 28 -18.396 31.632 -8.714 352 HB2 PRO 28 HB2 PRO 28 -18.630 33.769 -10.322 353 HB3 PRO 28 HB3 PRO 28 -18.399 32.112 -10.960 354 HG2 PRO 28 HG2 PRO 28 -21.001 33.656 -10.670 355 HG3 PRO 28 HG3 PRO 28 -20.404 32.752 -12.096 356 HD2 PRO 28 HD2 PRO 28 -22.157 31.685 -10.246 357 HD3 PRO 28 HD3 PRO 28 -20.971 30.691 -11.147 358 H LYS 29 H LYS 29 -17.909 32.754 -7.086 359 HA LYS 29 HA LYS 29 -18.793 35.547 -6.810 360 HB2 LYS 29 HB2 LYS 29 -18.436 33.747 -4.384 361 HB3 LYS 29 HB3 LYS 29 -18.694 35.494 -4.339 362 HG2 LYS 29 HG2 LYS 29 -20.958 35.214 -5.316 363 HG3 LYS 29 HG3 LYS 29 -20.718 33.463 -5.381 364 HD2 LYS 29 HD2 LYS 29 -20.913 35.156 -2.873 365 HD3 LYS 29 HD3 LYS 29 -22.072 33.952 -3.482 366 HE2 LYS 29 HE2 LYS 29 -20.166 32.241 -3.345 367 HE3 LYS 29 HE3 LYS 29 -19.250 33.464 -2.450 368 HZ1 LYS 29 HZ1 LYS 29 -20.287 32.114 -0.891 369 HZ2 LYS 29 HZ2 LYS 29 -21.261 33.461 -0.891 370 HZ3 LYS 29 HZ3 LYS 29 -21.704 32.075 -1.691 371 H ALA 30 H ALA 30 -16.683 33.088 -5.459 372 HA ALA 30 HA ALA 30 -14.926 33.819 -7.656 373 HB1 ALA 30 HB1 ALA 30 -13.272 32.200 -6.784 374 HB2 ALA 30 HB2 ALA 30 -13.461 33.565 -5.663 375 HB3 ALA 30 HB3 ALA 30 -14.225 31.994 -5.301 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -23.392 26.685 -13.000 2 H2 GLY 1 H2 GLY 1 -22.095 26.143 -12.211 3 H3 GLY 1 H3 GLY 1 -22.487 27.747 -12.098 4 HA2 GLY 1 HA2 GLY 1 -23.133 26.625 -10.061 5 HA3 GLY 1 HA3 GLY 1 -24.559 27.178 -10.985 6 H ILE 2 H ILE 2 -22.542 24.350 -10.246 7 HA ILE 2 HA ILE 2 -23.253 22.739 -12.277 8 HB ILE 2 HB ILE 2 -21.426 22.574 -10.488 9 HG12 ILE 2 HG12 ILE 2 -22.619 19.988 -11.561 10 HG13 ILE 2 HG13 ILE 2 -21.621 21.119 -12.483 11 HG21 ILE 2 HG21 ILE 2 -23.363 20.569 -9.265 12 HG22 ILE 2 HG22 ILE 2 -21.773 21.056 -8.660 13 HG23 ILE 2 HG23 ILE 2 -23.125 22.193 -8.607 14 HD11 ILE 2 HD11 ILE 2 -20.236 19.293 -11.733 15 HD12 ILE 2 HD12 ILE 2 -19.758 20.751 -10.844 16 HD13 ILE 2 HD13 ILE 2 -20.751 19.501 -10.051 17 H VAL 3 H VAL 3 -25.503 23.299 -9.792 18 HA VAL 3 HA VAL 3 -27.216 21.019 -10.094 19 HB VAL 3 HB VAL 3 -27.430 22.884 -8.406 20 HG11 VAL 3 HG11 VAL 3 -28.771 24.848 -8.944 21 HG12 VAL 3 HG12 VAL 3 -27.292 24.852 -9.906 22 HG13 VAL 3 HG13 VAL 3 -28.831 24.389 -10.662 23 HG21 VAL 3 HG21 VAL 3 -29.834 22.746 -8.254 24 HG22 VAL 3 HG22 VAL 3 -29.964 22.249 -9.957 25 HG23 VAL 3 HG23 VAL 3 -29.167 21.187 -8.775 26 H GLU 4 H GLU 4 -26.348 23.570 -12.371 27 HA GLU 4 HA GLU 4 -28.362 23.233 -14.314 28 HB2 GLU 4 HB2 GLU 4 -26.691 23.949 -15.920 29 HB3 GLU 4 HB3 GLU 4 -26.657 24.903 -14.455 30 HG2 GLU 4 HG2 GLU 4 -24.727 22.816 -14.083 31 HG3 GLU 4 HG3 GLU 4 -24.531 23.341 -15.738 32 H GLN 5 H GLN 5 -25.718 20.959 -13.504 33 HA GLN 5 HA GLN 5 -26.302 19.133 -15.705 34 HB2 GLN 5 HB2 GLN 5 -24.829 18.668 -13.082 35 HB3 GLN 5 HB3 GLN 5 -24.807 17.611 -14.499 36 HG2 GLN 5 HG2 GLN 5 -23.752 19.417 -15.841 37 HG3 GLN 5 HG3 GLN 5 -23.729 20.471 -14.419 38 HE21 GLN 5 HE21 GLN 5 -21.255 17.631 -13.293 39 HE22 GLN 5 HE22 GLN 5 -23.020 17.504 -13.072 40 H CYS 6 H CYS 6 -27.829 19.740 -12.668 41 HA CYS 6 HA CYS 6 -29.218 17.108 -12.630 42 HB2 CYS 6 HB2 CYS 6 -29.436 19.504 -10.795 43 HB3 CYS 6 HB3 CYS 6 -30.284 17.971 -10.612 44 H CYS 7 H CYS 7 -29.581 20.189 -14.081 45 HA CYS 7 HA CYS 7 -32.464 19.874 -14.593 46 HB2 CYS 7 HB2 CYS 7 -30.411 21.718 -15.847 47 HB3 CYS 7 HB3 CYS 7 -32.156 21.895 -15.928 48 H ALA 8 H ALA 8 -30.840 17.608 -15.156 49 HA ALA 8 HA ALA 8 -31.267 16.985 -17.931 50 HB1 ALA 8 HB1 ALA 8 -28.382 17.345 -16.974 51 HB2 ALA 8 HB2 ALA 8 -28.903 16.772 -18.575 52 HB3 ALA 8 HB3 ALA 8 -29.228 18.435 -18.088 53 H SER 9 H SER 9 -29.256 14.907 -17.994 54 HA SER 9 HA SER 9 -30.812 12.824 -17.080 55 HB2 SER 9 HB2 SER 9 -27.884 12.731 -17.869 56 HB3 SER 9 HB3 SER 9 -29.041 11.385 -17.914 57 HG SER 9 HG SER 9 -28.867 12.379 -19.961 58 H VAL 10 H VAL 10 -31.100 13.313 -14.758 59 HA VAL 10 HA VAL 10 -31.054 12.413 -12.675 60 HB VAL 10 HB VAL 10 -29.869 9.993 -14.078 61 HG11 VAL 10 HG11 VAL 10 -30.161 9.447 -11.733 62 HG12 VAL 10 HG12 VAL 10 -31.755 10.260 -11.688 63 HG13 VAL 10 HG13 VAL 10 -31.511 8.750 -12.587 64 HG21 VAL 10 HG21 VAL 10 -32.752 10.956 -13.966 65 HG22 VAL 10 HG22 VAL 10 -31.743 10.879 -15.430 66 HG23 VAL 10 HG23 VAL 10 -32.213 9.393 -14.626 67 H CYS 11 H CYS 11 -28.902 14.091 -12.834 68 HA CYS 11 HA CYS 11 -26.365 13.543 -12.432 69 HB2 CYS 11 HB2 CYS 11 -26.166 15.587 -11.197 70 HB3 CYS 11 HB3 CYS 11 -27.469 15.761 -12.355 71 H SER 12 H SER 12 -24.775 13.414 -10.671 72 HA SER 12 HA SER 12 -25.662 11.474 -8.581 73 HB2 SER 12 HB2 SER 12 -24.115 10.639 -10.283 74 HB3 SER 12 HB3 SER 12 -22.908 11.839 -9.759 75 HG SER 12 HG SER 12 -22.620 9.814 -8.701 76 H LEU 13 H LEU 13 -24.524 11.376 -6.534 77 HA LEU 13 HA LEU 13 -25.228 13.620 -5.069 78 HB2 LEU 13 HB2 LEU 13 -23.335 11.366 -4.252 79 HB3 LEU 13 HB3 LEU 13 -24.053 12.551 -3.179 80 HG LEU 13 HG LEU 13 -26.348 11.712 -4.079 81 HD11 LEU 13 HD11 LEU 13 -25.632 10.178 -5.855 82 HD12 LEU 13 HD12 LEU 13 -24.567 9.317 -4.715 83 HD13 LEU 13 HD13 LEU 13 -26.330 9.243 -4.537 84 HD21 LEU 13 HD21 LEU 13 -26.411 10.012 -2.298 85 HD22 LEU 13 HD22 LEU 13 -24.630 10.021 -2.228 86 HD23 LEU 13 HD23 LEU 13 -25.550 11.467 -1.775 87 H TYR 14 H TYR 14 -21.833 12.692 -5.820 88 HA TYR 14 HA TYR 14 -20.467 14.593 -4.486 89 HB2 TYR 14 HB2 TYR 14 -19.842 13.856 -7.364 90 HB3 TYR 14 HB3 TYR 14 -18.703 14.328 -6.111 91 HD1 TYR 14 HD1 TYR 14 -18.803 12.783 -3.895 92 HD2 TYR 14 HD2 TYR 14 -20.086 11.558 -7.833 93 HE1 TYR 14 HE1 TYR 14 -18.422 10.427 -3.279 94 HE2 TYR 14 HE2 TYR 14 -19.723 9.166 -7.188 95 HH TYR 14 HH TYR 14 -18.574 8.257 -3.954 96 H GLN 15 H GLN 15 -22.389 15.237 -7.354 97 HA GLN 15 HA GLN 15 -21.258 17.848 -7.987 98 HB2 GLN 15 HB2 GLN 15 -23.930 16.618 -8.809 99 HB3 GLN 15 HB3 GLN 15 -23.141 18.013 -9.555 100 HG2 GLN 15 HG2 GLN 15 -21.262 16.605 -10.306 101 HG3 GLN 15 HG3 GLN 15 -21.947 15.197 -9.502 102 HE21 GLN 15 HE21 GLN 15 -22.965 14.523 -12.856 103 HE22 GLN 15 HE22 GLN 15 -21.664 14.226 -11.693 104 H LEU 16 H LEU 16 -23.473 16.712 -5.594 105 HA LEU 16 HA LEU 16 -24.476 19.451 -4.973 106 HB2 LEU 16 HB2 LEU 16 -25.122 16.814 -3.597 107 HB3 LEU 16 HB3 LEU 16 -25.931 18.353 -3.380 108 HG LEU 16 HG LEU 16 -25.984 16.649 -5.913 109 HD11 LEU 16 HD11 LEU 16 -28.102 17.257 -3.818 110 HD12 LEU 16 HD12 LEU 16 -28.344 16.312 -5.308 111 HD13 LEU 16 HD13 LEU 16 -27.251 15.712 -4.044 112 HD21 LEU 16 HD21 LEU 16 -27.722 18.203 -6.714 113 HD22 LEU 16 HD22 LEU 16 -27.478 19.236 -5.286 114 HD23 LEU 16 HD23 LEU 16 -26.188 19.044 -6.494 115 H GLU 17 H GLU 17 -22.574 16.745 -3.526 116 HA GLU 17 HA GLU 17 -21.869 17.922 -1.069 117 HB2 GLU 17 HB2 GLU 17 -20.200 16.141 -2.877 118 HB3 GLU 17 HB3 GLU 17 -19.847 16.465 -1.187 119 HG2 GLU 17 HG2 GLU 17 -21.731 15.282 -0.405 120 HG3 GLU 17 HG3 GLU 17 -22.525 15.270 -1.980 121 H ASN 18 H ASN 18 -20.270 18.307 -4.212 122 HA ASN 18 HA ASN 18 -18.187 20.098 -3.419 123 HB2 ASN 18 HB2 ASN 18 -18.423 18.519 -5.438 124 HB3 ASN 18 HB3 ASN 18 -19.436 19.747 -6.182 125 HD21 ASN 18 HD21 ASN 18 -16.525 21.788 -6.848 126 HD22 ASN 18 HD22 ASN 18 -18.202 21.989 -6.365 127 H TYR 19 H TYR 19 -21.343 20.899 -3.095 128 HA TYR 19 HA TYR 19 -20.884 23.779 -3.767 129 HB2 TYR 19 HB2 TYR 19 -23.062 21.992 -4.720 130 HB3 TYR 19 HB3 TYR 19 -23.594 23.533 -4.090 131 HD1 TYR 19 HD1 TYR 19 -23.800 25.283 -5.619 132 HD2 TYR 19 HD2 TYR 19 -20.916 22.197 -6.394 133 HE1 TYR 19 HE1 TYR 19 -23.086 26.466 -7.703 134 HE2 TYR 19 HE2 TYR 19 -20.153 23.400 -8.433 135 HH TYR 19 HH TYR 19 -20.369 26.205 -9.125 136 H CYS 20 H CYS 20 -21.584 21.620 -1.314 137 HA CYS 20 HA CYS 20 -22.633 23.637 0.579 138 HB2 CYS 20 HB2 CYS 20 -23.016 21.153 0.831 139 HB3 CYS 20 HB3 CYS 20 -21.279 20.969 1.096 140 H ASN 21 H ASN 21 -21.002 23.910 2.596 141 HA ASN 21 HA ASN 21 -18.178 24.024 1.853 142 HB2 ASN 21 HB2 ASN 21 -19.162 26.142 1.053 143 HB3 ASN 21 HB3 ASN 21 -19.658 26.553 2.707 144 HD21 ASN 21 HD21 ASN 21 -15.746 26.587 3.028 145 HD22 ASN 21 HD22 ASN 21 -16.818 25.225 3.414 146 H1 PHE 1 H1 PHE 1 -30.202 10.063 -9.611 147 H2 PHE 1 H2 PHE 1 -28.719 10.804 -9.610 148 H3 PHE 1 H3 PHE 1 -30.069 11.690 -9.423 149 HA PHE 1 HA PHE 1 -29.193 9.631 -7.526 150 HB2 PHE 1 HB2 PHE 1 -27.613 11.364 -7.253 151 HB3 PHE 1 HB3 PHE 1 -28.845 12.622 -7.420 152 HD1 PHE 1 HD1 PHE 1 -29.028 9.555 -5.205 153 HD2 PHE 1 HD2 PHE 1 -28.569 13.851 -5.444 154 HE1 PHE 1 HE1 PHE 1 -29.310 9.733 -2.758 155 HE2 PHE 1 HE2 PHE 1 -28.819 14.000 -2.980 156 HZ PHE 1 HZ PHE 1 -29.183 11.947 -1.638 157 H VAL 2 H VAL 2 -31.064 12.691 -7.113 158 HA VAL 2 HA VAL 2 -33.293 11.308 -5.925 159 HB VAL 2 HB VAL 2 -32.564 13.817 -5.811 160 HG11 VAL 2 HG11 VAL 2 -33.768 15.356 -7.225 161 HG12 VAL 2 HG12 VAL 2 -32.786 14.303 -8.254 162 HG13 VAL 2 HG13 VAL 2 -34.537 14.041 -8.116 163 HG21 VAL 2 HG21 VAL 2 -34.402 12.864 -4.544 164 HG22 VAL 2 HG22 VAL 2 -34.823 14.469 -5.158 165 HG23 VAL 2 HG23 VAL 2 -35.489 13.021 -5.939 166 H ASN 3 H ASN 3 -35.483 11.158 -6.928 167 HA ASN 3 HA ASN 3 -35.084 9.498 -9.255 168 HB2 ASN 3 HB2 ASN 3 -37.579 10.017 -7.588 169 HB3 ASN 3 HB3 ASN 3 -37.309 8.644 -8.668 170 HD21 ASN 3 HD21 ASN 3 -35.707 7.010 -8.007 171 HD22 ASN 3 HD22 ASN 3 -35.178 6.980 -6.323 172 H GLN 4 H GLN 4 -35.727 12.705 -9.294 173 HA GLN 4 HA GLN 4 -37.217 12.595 -11.848 174 HB2 GLN 4 HB2 GLN 4 -38.848 14.143 -11.125 175 HB3 GLN 4 HB3 GLN 4 -38.845 12.819 -9.978 176 HG2 GLN 4 HG2 GLN 4 -37.537 15.537 -9.474 177 HG3 GLN 4 HG3 GLN 4 -39.173 15.120 -9.019 178 HE21 GLN 4 HE21 GLN 4 -37.199 14.690 -5.977 179 HE22 GLN 4 HE22 GLN 4 -37.798 16.011 -6.980 180 H HIS 5 H HIS 5 -36.688 14.122 -13.300 181 HA HIS 5 HA HIS 5 -34.225 15.526 -13.037 182 HB2 HIS 5 HB2 HIS 5 -36.161 15.964 -15.304 183 HB3 HIS 5 HB3 HIS 5 -34.400 15.902 -15.339 184 HD2 HIS 5 HD2 HIS 5 -37.336 13.933 -16.265 185 HE1 HIS 5 HE1 HIS 5 -34.399 10.930 -15.574 186 HE2 HIS 5 HE2 HIS 5 -36.689 11.399 -16.566 187 H LEU 6 H LEU 6 -36.055 16.641 -11.097 188 HA LEU 6 HA LEU 6 -37.195 19.064 -12.262 189 HB2 LEU 6 HB2 LEU 6 -38.322 17.526 -10.589 190 HB3 LEU 6 HB3 LEU 6 -37.279 18.227 -9.366 191 HG LEU 6 HG LEU 6 -39.535 19.181 -9.371 192 HD11 LEU 6 HD11 LEU 6 -37.649 21.348 -10.371 193 HD12 LEU 6 HD12 LEU 6 -39.085 21.534 -9.352 194 HD13 LEU 6 HD13 LEU 6 -37.666 20.691 -8.718 195 HD21 LEU 6 HD21 LEU 6 -40.039 18.888 -11.776 196 HD22 LEU 6 HD22 LEU 6 -40.450 20.494 -11.156 197 HD23 LEU 6 HD23 LEU 6 -38.999 20.287 -12.146 198 H CYS 7 H CYS 7 -35.469 20.099 -12.932 199 HA CYS 7 HA CYS 7 -33.146 20.954 -11.957 200 HB2 CYS 7 HB2 CYS 7 -34.157 21.439 -14.145 201 HB3 CYS 7 HB3 CYS 7 -35.251 22.593 -13.396 202 H GLY 8 H GLY 8 -32.255 22.258 -10.451 203 HA2 GLY 8 HA2 GLY 8 -31.971 24.036 -8.996 204 HA3 GLY 8 HA3 GLY 8 -33.579 24.625 -9.419 205 H SER 9 H SER 9 -35.390 23.959 -8.135 206 HA SER 9 HA SER 9 -34.681 24.201 -5.460 207 HB2 SER 9 HB2 SER 9 -37.405 23.410 -6.530 208 HB3 SER 9 HB3 SER 9 -37.048 24.107 -4.932 209 HG SER 9 HG SER 9 -37.600 25.780 -6.314 210 H HIS 10 H HIS 10 -36.010 21.171 -6.953 211 HA HIS 10 HA HIS 10 -36.056 19.717 -4.468 212 HB2 HIS 10 HB2 HIS 10 -35.809 18.766 -7.351 213 HB3 HIS 10 HB3 HIS 10 -35.923 17.680 -5.976 214 HD2 HIS 10 HD2 HIS 10 -38.239 20.349 -5.052 215 HE1 HIS 10 HE1 HIS 10 -40.646 17.560 -7.174 216 HE2 HIS 10 HE2 HIS 10 -40.664 19.574 -5.597 217 H LEU 11 H LEU 11 -33.364 20.658 -6.447 218 HA LEU 11 HA LEU 11 -31.527 18.789 -5.086 219 HB2 LEU 11 HB2 LEU 11 -30.994 20.927 -7.164 220 HB3 LEU 11 HB3 LEU 11 -29.795 19.868 -6.462 221 HG LEU 11 HG LEU 11 -30.262 19.056 -8.573 222 HD11 LEU 11 HD11 LEU 11 -31.821 17.213 -6.740 223 HD12 LEU 11 HD12 LEU 11 -30.962 16.776 -8.232 224 HD13 LEU 11 HD13 LEU 11 -30.046 17.323 -6.810 225 HD21 LEU 11 HD21 LEU 11 -32.520 20.109 -8.915 226 HD22 LEU 11 HD22 LEU 11 -32.347 18.472 -9.562 227 HD23 LEU 11 HD23 LEU 11 -33.229 18.726 -8.057 228 H VAL 12 H VAL 12 -32.545 22.163 -4.843 229 HA VAL 12 HA VAL 12 -30.566 22.944 -2.825 230 HB VAL 12 HB VAL 12 -33.346 24.018 -3.443 231 HG11 VAL 12 HG11 VAL 12 -32.849 24.504 -1.090 232 HG12 VAL 12 HG12 VAL 12 -31.248 25.128 -1.545 233 HG13 VAL 12 HG13 VAL 12 -32.728 25.969 -2.063 234 HG21 VAL 12 HG21 VAL 12 -31.633 24.422 -5.198 235 HG22 VAL 12 HG22 VAL 12 -32.111 25.917 -4.390 236 HG23 VAL 12 HG23 VAL 12 -30.564 25.143 -3.978 237 H GLU 13 H GLU 13 -33.853 21.472 -2.703 238 HA GLU 13 HA GLU 13 -33.792 20.949 0.117 239 HB2 GLU 13 HB2 GLU 13 -35.275 19.667 -2.189 240 HB3 GLU 13 HB3 GLU 13 -35.534 19.205 -0.503 241 HG2 GLU 13 HG2 GLU 13 -36.401 21.305 0.113 242 HG3 GLU 13 HG3 GLU 13 -35.702 22.139 -1.268 243 H ALA 14 H ALA 14 -32.752 18.774 -2.623 244 HA ALA 14 HA ALA 14 -31.747 16.733 -0.956 245 HB1 ALA 14 HB1 ALA 14 -30.569 17.591 -3.619 246 HB2 ALA 14 HB2 ALA 14 -30.492 15.988 -2.875 247 HB3 ALA 14 HB3 ALA 14 -32.053 16.615 -3.444 248 H LEU 15 H LEU 15 -30.144 19.806 -1.828 249 HA LEU 15 HA LEU 15 -27.556 19.177 -0.777 250 HB2 LEU 15 HB2 LEU 15 -29.077 21.717 -1.395 251 HB3 LEU 15 HB3 LEU 15 -27.547 21.800 -0.562 252 HG LEU 15 HG LEU 15 -27.683 20.253 -3.148 253 HD11 LEU 15 HD11 LEU 15 -26.926 22.339 -4.307 254 HD12 LEU 15 HD12 LEU 15 -28.601 22.440 -3.747 255 HD13 LEU 15 HD13 LEU 15 -27.310 23.262 -2.830 256 HD21 LEU 15 HD21 LEU 15 -25.654 20.129 -1.721 257 HD22 LEU 15 HD22 LEU 15 -25.328 20.978 -3.239 258 HD23 LEU 15 HD23 LEU 15 -25.531 21.899 -1.737 259 H TYR 16 H TYR 16 -30.497 20.414 0.898 260 HA TYR 16 HA TYR 16 -29.199 20.653 3.490 261 HB2 TYR 16 HB2 TYR 16 -32.096 20.302 2.646 262 HB3 TYR 16 HB3 TYR 16 -31.606 20.322 4.329 263 HD1 TYR 16 HD1 TYR 16 -30.129 22.327 5.131 264 HD2 TYR 16 HD2 TYR 16 -32.636 22.379 1.613 265 HE1 TYR 16 HE1 TYR 16 -30.100 24.806 5.151 266 HE2 TYR 16 HE2 TYR 16 -32.636 24.872 1.663 267 HH TYR 16 HH TYR 16 -30.706 26.695 4.012 268 H LEU 17 H LEU 17 -30.849 17.926 1.834 269 HA LEU 17 HA LEU 17 -30.560 16.099 4.066 270 HB2 LEU 17 HB2 LEU 17 -30.798 15.527 1.086 271 HB3 LEU 17 HB3 LEU 17 -30.991 14.342 2.369 272 HG LEU 17 HG LEU 17 -32.798 16.775 1.994 273 HD11 LEU 17 HD11 LEU 17 -33.271 13.855 1.280 274 HD12 LEU 17 HD12 LEU 17 -34.453 15.181 1.148 275 HD13 LEU 17 HD13 LEU 17 -33.011 15.182 0.129 276 HD21 LEU 17 HD21 LEU 17 -34.311 15.562 3.541 277 HD22 LEU 17 HD22 LEU 17 -33.062 14.320 3.784 278 HD23 LEU 17 HD23 LEU 17 -32.788 15.995 4.323 279 H VAL 18 H VAL 18 -28.352 17.077 1.523 280 HA VAL 18 HA VAL 18 -26.319 15.069 2.194 281 HB VAL 18 HB VAL 18 -26.454 17.430 0.300 282 HG11 VAL 18 HG11 VAL 18 -24.047 15.615 0.709 283 HG12 VAL 18 HG12 VAL 18 -24.293 16.704 -0.673 284 HG13 VAL 18 HG13 VAL 18 -24.098 17.374 0.947 285 HG21 VAL 18 HG21 VAL 18 -26.090 14.435 -0.171 286 HG22 VAL 18 HG22 VAL 18 -27.635 15.294 -0.302 287 HG23 VAL 18 HG23 VAL 18 -26.313 15.685 -1.412 288 H CYS 19 H CYS 19 -26.810 18.502 3.087 289 HA CYS 19 HA CYS 19 -24.344 18.275 4.781 290 HB2 CYS 19 HB2 CYS 19 -24.298 19.350 2.352 291 HB3 CYS 19 HB3 CYS 19 -24.909 20.755 3.224 292 H GLY 20 H GLY 20 -27.578 19.175 4.951 293 HA2 GLY 20 HA2 GLY 20 -28.835 20.174 6.563 294 HA3 GLY 20 HA3 GLY 20 -27.527 19.681 7.629 295 H GLU 21 H GLU 21 -26.756 21.197 8.834 296 HA GLU 21 HA GLU 21 -27.873 23.703 9.152 297 HB2 GLU 21 HB2 GLU 21 -26.834 22.217 10.794 298 HB3 GLU 21 HB3 GLU 21 -25.243 22.486 10.071 299 HG2 GLU 21 HG2 GLU 21 -25.277 24.829 10.801 300 HG3 GLU 21 HG3 GLU 21 -26.918 24.619 11.443 301 H ARG 22 H ARG 22 -24.956 22.960 7.343 302 HA ARG 22 HA ARG 22 -23.597 25.451 7.696 303 HB2 ARG 22 HB2 ARG 22 -23.302 23.185 5.678 304 HB3 ARG 22 HB3 ARG 22 -22.120 24.486 5.852 305 HG2 ARG 22 HG2 ARG 22 -21.415 23.782 7.983 306 HG3 ARG 22 HG3 ARG 22 -22.902 22.900 8.311 307 HD2 ARG 22 HD2 ARG 22 -21.280 21.267 7.997 308 HD3 ARG 22 HD3 ARG 22 -22.297 21.235 6.550 309 HE ARG 22 HE ARG 22 -20.216 22.899 5.795 310 HH11 ARG 22 HH11 ARG 22 -20.397 19.626 6.907 311 HH12 ARG 22 HH12 ARG 22 -18.833 19.186 6.240 312 HH21 ARG 22 HH21 ARG 22 -18.222 22.343 4.993 313 HH22 ARG 22 HH22 ARG 22 -17.757 20.669 4.932 314 H GLY 23 H GLY 23 -26.092 24.734 5.444 315 HA2 GLY 23 HA2 GLY 23 -26.942 25.927 3.614 316 HA3 GLY 23 HA3 GLY 23 -25.915 27.297 4.067 317 H PHE 24 H PHE 24 -25.801 27.385 1.603 318 HA PHE 24 HA PHE 24 -23.793 25.479 0.479 319 HB2 PHE 24 HB2 PHE 24 -26.073 26.572 -1.145 320 HB3 PHE 24 HB3 PHE 24 -25.081 25.151 -1.448 321 HD1 PHE 24 HD1 PHE 24 -25.245 23.525 0.954 322 HD2 PHE 24 HD2 PHE 24 -28.302 26.010 -0.819 323 HE1 PHE 24 HE1 PHE 24 -26.979 22.342 2.273 324 HE2 PHE 24 HE2 PHE 24 -30.039 24.738 0.426 325 HZ PHE 24 HZ PHE 24 -29.370 22.943 1.982 326 H PHE 25 H PHE 25 -22.184 26.322 -0.755 327 HA PHE 25 HA PHE 25 -21.808 29.198 -0.466 328 HB2 PHE 25 HB2 PHE 25 -20.027 27.594 -0.114 329 HB3 PHE 25 HB3 PHE 25 -20.055 27.101 -1.802 330 HD1 PHE 25 HD1 PHE 25 -19.071 28.601 -3.536 331 HD2 PHE 25 HD2 PHE 25 -19.030 29.651 0.647 332 HE1 PHE 25 HE1 PHE 25 -17.355 30.339 -3.983 333 HE2 PHE 25 HE2 PHE 25 -17.336 31.401 0.191 334 HZ PHE 25 HZ PHE 25 -16.489 31.748 -2.134 335 H TYR 26 H TYR 26 -22.232 27.023 -3.252 336 HA TYR 26 HA TYR 26 -22.592 27.330 -5.438 337 HB2 TYR 26 HB2 TYR 26 -24.274 29.486 -4.262 338 HB3 TYR 26 HB3 TYR 26 -23.973 29.563 -5.985 339 HD1 TYR 26 HD1 TYR 26 -25.058 28.132 -7.523 340 HD2 TYR 26 HD2 TYR 26 -25.282 27.317 -3.298 341 HE1 TYR 26 HE1 TYR 26 -26.704 26.300 -7.961 342 HE2 TYR 26 HE2 TYR 26 -26.922 25.489 -3.737 343 HH TYR 26 HH TYR 26 -28.103 24.378 -5.305 344 H THR 27 H THR 27 -21.018 27.509 -6.799 345 HA THR 27 HA THR 27 -19.509 30.051 -7.043 346 HB THR 27 HB THR 27 -17.871 28.736 -8.329 347 HG1 THR 27 HG1 THR 27 -18.035 26.514 -8.272 348 HG21 THR 27 HG21 THR 27 -18.499 27.422 -5.656 349 HG22 THR 27 HG22 THR 27 -16.938 27.440 -6.504 350 HG23 THR 27 HG23 THR 27 -17.604 28.947 -5.876 351 HA PRO 28 HA PRO 28 -18.131 30.883 -8.517 352 HB2 PRO 28 HB2 PRO 28 -17.641 32.772 -10.339 353 HB3 PRO 28 HB3 PRO 28 -17.411 31.038 -10.710 354 HG2 PRO 28 HG2 PRO 28 -19.788 32.794 -11.404 355 HG3 PRO 28 HG3 PRO 28 -18.900 31.662 -12.471 356 HD2 PRO 28 HD2 PRO 28 -21.247 31.022 -11.115 357 HD3 PRO 28 HD3 PRO 28 -20.012 29.814 -11.583 358 H LYS 29 H LYS 29 -17.861 32.456 -7.127 359 HA LYS 29 HA LYS 29 -18.982 35.139 -7.717 360 HB2 LYS 29 HB2 LYS 29 -18.438 34.251 -4.871 361 HB3 LYS 29 HB3 LYS 29 -19.084 35.789 -5.381 362 HG2 LYS 29 HG2 LYS 29 -21.237 34.983 -5.705 363 HG3 LYS 29 HG3 LYS 29 -20.730 33.334 -6.043 364 HD2 LYS 29 HD2 LYS 29 -20.670 34.613 -3.291 365 HD3 LYS 29 HD3 LYS 29 -21.870 33.454 -3.908 366 HE2 LYS 29 HE2 LYS 29 -19.978 31.832 -4.359 367 HE3 LYS 29 HE3 LYS 29 -18.882 32.929 -3.521 368 HZ1 LYS 29 HZ1 LYS 29 -19.633 31.282 -2.026 369 HZ2 LYS 29 HZ2 LYS 29 -20.389 32.683 -1.554 370 HZ3 LYS 29 HZ3 LYS 29 -21.199 31.515 -2.414 371 H ALA 30 H ALA 30 -16.728 33.539 -5.563 372 HA ALA 30 HA ALA 30 -14.941 33.491 -7.842 373 HB1 ALA 30 HB1 ALA 30 -13.225 32.454 -6.394 374 HB2 ALA 30 HB2 ALA 30 -13.537 34.135 -5.889 375 HB3 ALA 30 HB3 ALA 30 -14.222 32.775 -4.957 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -22.316 26.599 -12.581 2 H2 GLY 1 H2 GLY 1 -21.690 28.006 -11.939 3 H3 GLY 1 H3 GLY 1 -23.254 27.543 -11.651 4 HA2 GLY 1 HA2 GLY 1 -20.874 26.073 -10.725 5 HA3 GLY 1 HA3 GLY 1 -21.886 27.129 -9.712 6 H ILE 2 H ILE 2 -21.405 24.038 -10.070 7 HA ILE 2 HA ILE 2 -22.565 23.061 -12.085 8 HB ILE 2 HB ILE 2 -20.983 22.098 -10.371 9 HG12 ILE 2 HG12 ILE 2 -22.685 19.989 -11.702 10 HG13 ILE 2 HG13 ILE 2 -21.629 21.077 -12.617 11 HG21 ILE 2 HG21 ILE 2 -23.461 20.577 -9.472 12 HG22 ILE 2 HG22 ILE 2 -21.810 20.458 -8.832 13 HG23 ILE 2 HG23 ILE 2 -22.763 21.924 -8.570 14 HD11 ILE 2 HD11 ILE 2 -20.502 18.962 -12.163 15 HD12 ILE 2 HD12 ILE 2 -19.674 20.291 -11.330 16 HD13 ILE 2 HD13 ILE 2 -20.716 19.175 -10.419 17 H VAL 3 H VAL 3 -24.949 24.146 -10.090 18 HA VAL 3 HA VAL 3 -26.823 21.981 -10.051 19 HB VAL 3 HB VAL 3 -26.816 24.056 -8.626 20 HG11 VAL 3 HG11 VAL 3 -28.021 26.027 -9.341 21 HG12 VAL 3 HG12 VAL 3 -26.669 25.760 -10.449 22 HG13 VAL 3 HG13 VAL 3 -28.320 25.332 -10.947 23 HG21 VAL 3 HG21 VAL 3 -29.217 24.100 -8.310 24 HG22 VAL 3 HG22 VAL 3 -29.472 23.350 -9.899 25 HG23 VAL 3 HG23 VAL 3 -28.667 22.440 -8.600 26 H GLU 4 H GLU 4 -25.877 24.032 -12.664 27 HA GLU 4 HA GLU 4 -28.009 23.641 -14.502 28 HB2 GLU 4 HB2 GLU 4 -26.123 23.712 -16.190 29 HB3 GLU 4 HB3 GLU 4 -26.332 25.113 -15.169 30 HG2 GLU 4 HG2 GLU 4 -24.336 23.078 -14.208 31 HG3 GLU 4 HG3 GLU 4 -23.940 23.870 -15.715 32 H GLN 5 H GLN 5 -25.371 21.381 -13.573 33 HA GLN 5 HA GLN 5 -26.276 19.232 -15.302 34 HB2 GLN 5 HB2 GLN 5 -24.509 19.102 -12.833 35 HB3 GLN 5 HB3 GLN 5 -24.660 17.871 -14.079 36 HG2 GLN 5 HG2 GLN 5 -23.432 20.639 -14.422 37 HG3 GLN 5 HG3 GLN 5 -22.584 19.099 -14.341 38 HE21 GLN 5 HE21 GLN 5 -23.926 18.228 -17.712 39 HE22 GLN 5 HE22 GLN 5 -23.974 17.440 -16.132 40 H CYS 6 H CYS 6 -27.840 20.525 -12.685 41 HA CYS 6 HA CYS 6 -29.296 17.982 -12.148 42 HB2 CYS 6 HB2 CYS 6 -28.679 20.265 -10.279 43 HB3 CYS 6 HB3 CYS 6 -29.965 19.116 -9.975 44 H CYS 7 H CYS 7 -29.498 20.291 -14.178 45 HA CYS 7 HA CYS 7 -32.487 20.210 -14.139 46 HB2 CYS 7 HB2 CYS 7 -30.563 21.906 -15.765 47 HB3 CYS 7 HB3 CYS 7 -32.320 21.915 -15.939 48 H ALA 8 H ALA 8 -30.783 17.927 -14.442 49 HA ALA 8 HA ALA 8 -31.359 16.935 -17.143 50 HB1 ALA 8 HB1 ALA 8 -29.197 18.144 -17.318 51 HB2 ALA 8 HB2 ALA 8 -28.545 17.173 -15.977 52 HB3 ALA 8 HB3 ALA 8 -28.969 16.399 -17.519 53 H SER 9 H SER 9 -30.561 14.615 -17.337 54 HA SER 9 HA SER 9 -32.177 13.159 -15.728 55 HB2 SER 9 HB2 SER 9 -29.840 12.073 -17.323 56 HB3 SER 9 HB3 SER 9 -31.285 11.174 -16.802 57 HG SER 9 HG SER 9 -31.693 11.867 -18.857 58 H VAL 10 H VAL 10 -32.140 12.432 -13.735 59 HA VAL 10 HA VAL 10 -31.484 11.500 -11.768 60 HB VAL 10 HB VAL 10 -29.777 9.707 -13.521 61 HG11 VAL 10 HG11 VAL 10 -29.624 9.014 -11.191 62 HG12 VAL 10 HG12 VAL 10 -31.388 9.214 -10.967 63 HG13 VAL 10 HG13 VAL 10 -30.731 7.923 -11.986 64 HG21 VAL 10 HG21 VAL 10 -32.786 9.596 -13.054 65 HG22 VAL 10 HG22 VAL 10 -31.996 9.991 -14.604 66 HG23 VAL 10 HG23 VAL 10 -31.823 8.384 -13.923 67 H CYS 11 H CYS 11 -30.002 13.845 -12.177 68 HA CYS 11 HA CYS 11 -27.299 13.702 -11.868 69 HB2 CYS 11 HB2 CYS 11 -27.342 15.860 -11.533 70 HB3 CYS 11 HB3 CYS 11 -29.013 15.740 -11.959 71 H SER 12 H SER 12 -25.730 13.833 -10.106 72 HA SER 12 HA SER 12 -26.619 12.331 -7.703 73 HB2 SER 12 HB2 SER 12 -24.680 11.289 -9.775 74 HB3 SER 12 HB3 SER 12 -24.888 10.586 -8.160 75 HG SER 12 HG SER 12 -26.715 10.679 -10.305 76 H LEU 13 H LEU 13 -25.015 11.686 -6.179 77 HA LEU 13 HA LEU 13 -24.763 13.814 -4.682 78 HB2 LEU 13 HB2 LEU 13 -23.080 11.300 -4.555 79 HB3 LEU 13 HB3 LEU 13 -23.123 12.472 -3.243 80 HG LEU 13 HG LEU 13 -25.671 11.183 -4.296 81 HD11 LEU 13 HD11 LEU 13 -24.142 9.391 -3.570 82 HD12 LEU 13 HD12 LEU 13 -23.906 10.225 -2.018 83 HD13 LEU 13 HD13 LEU 13 -25.502 9.580 -2.449 84 HD21 LEU 13 HD21 LEU 13 -26.468 11.740 -1.985 85 HD22 LEU 13 HD22 LEU 13 -24.918 12.539 -1.667 86 HD23 LEU 13 HD23 LEU 13 -26.012 13.182 -2.900 87 H TYR 14 H TYR 14 -21.782 12.791 -6.485 88 HA TYR 14 HA TYR 14 -20.007 14.609 -5.331 89 HB2 TYR 14 HB2 TYR 14 -20.192 13.700 -8.232 90 HB3 TYR 14 HB3 TYR 14 -18.810 14.527 -7.539 91 HD1 TYR 14 HD1 TYR 14 -17.427 13.465 -5.759 92 HD2 TYR 14 HD2 TYR 14 -20.509 11.311 -7.884 93 HE1 TYR 14 HE1 TYR 14 -16.400 11.309 -5.066 94 HE2 TYR 14 HE2 TYR 14 -19.480 9.150 -7.161 95 HH TYR 14 HH TYR 14 -16.442 9.041 -5.324 96 H GLN 15 H GLN 15 -22.564 15.378 -7.631 97 HA GLN 15 HA GLN 15 -21.592 18.057 -8.291 98 HB2 GLN 15 HB2 GLN 15 -24.341 16.777 -8.616 99 HB3 GLN 15 HB3 GLN 15 -23.825 18.309 -9.329 100 HG2 GLN 15 HG2 GLN 15 -22.067 17.113 -10.624 101 HG3 GLN 15 HG3 GLN 15 -22.625 15.572 -9.958 102 HE21 GLN 15 HE21 GLN 15 -25.717 16.770 -12.198 103 HE22 GLN 15 HE22 GLN 15 -25.482 17.407 -10.570 104 H LEU 16 H LEU 16 -23.171 16.688 -5.537 105 HA LEU 16 HA LEU 16 -24.320 19.286 -4.663 106 HB2 LEU 16 HB2 LEU 16 -24.540 16.583 -3.297 107 HB3 LEU 16 HB3 LEU 16 -25.481 18.025 -2.982 108 HG LEU 16 HG LEU 16 -25.601 16.258 -5.469 109 HD11 LEU 16 HD11 LEU 16 -27.862 15.721 -4.710 110 HD12 LEU 16 HD12 LEU 16 -26.659 15.310 -3.472 111 HD13 LEU 16 HD13 LEU 16 -27.651 16.766 -3.284 112 HD21 LEU 16 HD21 LEU 16 -27.483 17.562 -6.264 113 HD22 LEU 16 HD22 LEU 16 -27.380 18.659 -4.876 114 HD23 LEU 16 HD23 LEU 16 -26.089 18.633 -6.096 115 H GLU 17 H GLU 17 -22.139 16.668 -3.437 116 HA GLU 17 HA GLU 17 -21.297 17.838 -1.078 117 HB2 GLU 17 HB2 GLU 17 -19.405 16.403 -2.988 118 HB3 GLU 17 HB3 GLU 17 -19.240 16.555 -1.246 119 HG2 GLU 17 HG2 GLU 17 -21.159 14.839 -2.817 120 HG3 GLU 17 HG3 GLU 17 -19.904 14.327 -1.717 121 H ASN 18 H ASN 18 -19.872 18.532 -4.276 122 HA ASN 18 HA ASN 18 -17.833 20.316 -3.293 123 HB2 ASN 18 HB2 ASN 18 -18.992 19.738 -6.042 124 HB3 ASN 18 HB3 ASN 18 -17.726 20.941 -5.798 125 HD21 ASN 18 HD21 ASN 18 -16.638 17.094 -5.756 126 HD22 ASN 18 HD22 ASN 18 -18.341 17.514 -6.041 127 H TYR 19 H TYR 19 -20.977 20.952 -2.901 128 HA TYR 19 HA TYR 19 -20.672 23.877 -3.351 129 HB2 TYR 19 HB2 TYR 19 -22.896 22.082 -4.338 130 HB3 TYR 19 HB3 TYR 19 -23.126 23.814 -4.122 131 HD1 TYR 19 HD1 TYR 19 -22.134 25.423 -5.558 132 HD2 TYR 19 HD2 TYR 19 -21.179 21.264 -6.012 133 HE1 TYR 19 HE1 TYR 19 -20.834 25.953 -7.650 134 HE2 TYR 19 HE2 TYR 19 -19.828 21.785 -8.044 135 HH TYR 19 HH TYR 19 -18.856 23.555 -9.253 136 H CYS 20 H CYS 20 -20.931 21.808 -0.868 137 HA CYS 20 HA CYS 20 -22.090 24.024 0.709 138 HB2 CYS 20 HB2 CYS 20 -23.815 22.179 0.319 139 HB3 CYS 20 HB3 CYS 20 -22.803 21.163 1.338 140 H ASN 21 H ASN 21 -21.124 24.305 2.753 141 HA ASN 21 HA ASN 21 -18.353 23.248 2.716 142 HB2 ASN 21 HB2 ASN 21 -19.617 25.713 4.004 143 HB3 ASN 21 HB3 ASN 21 -17.907 25.304 4.075 144 HD21 ASN 21 HD21 ASN 21 -17.987 25.844 0.276 145 HD22 ASN 21 HD22 ASN 21 -18.101 24.307 1.148 146 H1 PHE 1 H1 PHE 1 -30.046 9.743 -9.138 147 H2 PHE 1 H2 PHE 1 -28.432 10.108 -9.054 148 H3 PHE 1 H3 PHE 1 -29.540 11.273 -8.803 149 HA PHE 1 HA PHE 1 -28.987 8.948 -7.092 150 HB2 PHE 1 HB2 PHE 1 -27.381 10.581 -6.587 151 HB3 PHE 1 HB3 PHE 1 -28.546 11.905 -6.731 152 HD1 PHE 1 HD1 PHE 1 -28.415 8.720 -4.667 153 HD2 PHE 1 HD2 PHE 1 -28.879 13.023 -4.748 154 HE1 PHE 1 HE1 PHE 1 -28.885 8.730 -2.239 155 HE2 PHE 1 HE2 PHE 1 -29.346 13.007 -2.317 156 HZ PHE 1 HZ PHE 1 -29.368 10.869 -1.064 157 H VAL 2 H VAL 2 -30.961 11.988 -6.780 158 HA VAL 2 HA VAL 2 -33.275 10.370 -5.965 159 HB VAL 2 HB VAL 2 -32.760 12.882 -5.412 160 HG11 VAL 2 HG11 VAL 2 -33.824 14.507 -6.834 161 HG12 VAL 2 HG12 VAL 2 -32.606 13.641 -7.789 162 HG13 VAL 2 HG13 VAL 2 -34.336 13.281 -7.990 163 HG21 VAL 2 HG21 VAL 2 -34.732 11.656 -4.644 164 HG22 VAL 2 HG22 VAL 2 -35.127 13.321 -5.087 165 HG23 VAL 2 HG23 VAL 2 -35.566 11.990 -6.171 166 H ASN 3 H ASN 3 -35.257 10.517 -7.360 167 HA ASN 3 HA ASN 3 -34.655 9.097 -9.794 168 HB2 ASN 3 HB2 ASN 3 -37.344 9.909 -8.591 169 HB3 ASN 3 HB3 ASN 3 -37.055 8.611 -9.741 170 HD21 ASN 3 HD21 ASN 3 -36.865 6.551 -8.821 171 HD22 ASN 3 HD22 ASN 3 -36.498 6.328 -7.113 172 H GLN 4 H GLN 4 -36.069 12.292 -9.130 173 HA GLN 4 HA GLN 4 -36.777 12.603 -11.975 174 HB2 GLN 4 HB2 GLN 4 -38.440 14.101 -11.326 175 HB3 GLN 4 HB3 GLN 4 -38.567 12.717 -10.268 176 HG2 GLN 4 HG2 GLN 4 -37.179 15.324 -9.449 177 HG3 GLN 4 HG3 GLN 4 -38.900 15.046 -9.268 178 HE21 GLN 4 HE21 GLN 4 -37.749 14.223 -5.975 179 HE22 GLN 4 HE22 GLN 4 -38.091 15.645 -6.962 180 H HIS 5 H HIS 5 -36.477 14.415 -13.149 181 HA HIS 5 HA HIS 5 -33.861 15.617 -12.679 182 HB2 HIS 5 HB2 HIS 5 -35.405 15.814 -15.247 183 HB3 HIS 5 HB3 HIS 5 -33.665 15.672 -14.990 184 HD2 HIS 5 HD2 HIS 5 -36.443 13.714 -16.238 185 HE1 HIS 5 HE1 HIS 5 -34.365 10.723 -14.040 186 HE2 HIS 5 HE2 HIS 5 -36.200 11.137 -15.741 187 H LEU 6 H LEU 6 -35.813 16.818 -11.069 188 HA LEU 6 HA LEU 6 -37.150 18.956 -12.481 189 HB2 LEU 6 HB2 LEU 6 -38.136 17.489 -10.699 190 HB3 LEU 6 HB3 LEU 6 -37.169 18.348 -9.512 191 HG LEU 6 HG LEU 6 -39.541 19.036 -9.627 192 HD11 LEU 6 HD11 LEU 6 -37.785 21.375 -10.454 193 HD12 LEU 6 HD12 LEU 6 -39.283 21.410 -9.511 194 HD13 LEU 6 HD13 LEU 6 -37.837 20.656 -8.827 195 HD21 LEU 6 HD21 LEU 6 -39.863 18.755 -12.075 196 HD22 LEU 6 HD22 LEU 6 -40.486 20.286 -11.430 197 HD23 LEU 6 HD23 LEU 6 -38.963 20.269 -12.335 198 H CYS 7 H CYS 7 -35.866 20.409 -13.193 199 HA CYS 7 HA CYS 7 -33.467 21.182 -12.548 200 HB2 CYS 7 HB2 CYS 7 -34.668 21.831 -14.545 201 HB3 CYS 7 HB3 CYS 7 -35.635 22.992 -13.640 202 H GLY 8 H GLY 8 -32.455 21.753 -10.850 203 HA2 GLY 8 HA2 GLY 8 -31.656 23.137 -9.175 204 HA3 GLY 8 HA3 GLY 8 -32.993 24.259 -9.452 205 H SER 9 H SER 9 -35.193 23.414 -8.633 206 HA SER 9 HA SER 9 -34.844 23.855 -5.963 207 HB2 SER 9 HB2 SER 9 -36.941 24.175 -7.364 208 HB3 SER 9 HB3 SER 9 -37.394 22.525 -6.910 209 HG SER 9 HG SER 9 -37.282 23.182 -4.695 210 H HIS 10 H HIS 10 -36.054 20.628 -7.057 211 HA HIS 10 HA HIS 10 -35.948 19.408 -4.505 212 HB2 HIS 10 HB2 HIS 10 -35.718 18.150 -7.265 213 HB3 HIS 10 HB3 HIS 10 -36.014 17.269 -5.770 214 HD2 HIS 10 HD2 HIS 10 -38.136 20.075 -5.109 215 HE1 HIS 10 HE1 HIS 10 -40.616 17.593 -7.517 216 HE2 HIS 10 HE2 HIS 10 -40.566 19.563 -5.890 217 H LEU 11 H LEU 11 -33.246 20.291 -6.428 218 HA LEU 11 HA LEU 11 -31.484 18.299 -5.093 219 HB2 LEU 11 HB2 LEU 11 -30.901 20.018 -7.514 220 HB3 LEU 11 HB3 LEU 11 -29.866 18.798 -6.804 221 HG LEU 11 HG LEU 11 -30.727 17.725 -8.618 222 HD11 LEU 11 HD11 LEU 11 -32.741 16.807 -6.568 223 HD12 LEU 11 HD12 LEU 11 -32.106 15.927 -7.968 224 HD13 LEU 11 HD13 LEU 11 -31.025 16.329 -6.614 225 HD21 LEU 11 HD21 LEU 11 -32.414 19.381 -9.291 226 HD22 LEU 11 HD22 LEU 11 -32.927 17.707 -9.520 227 HD23 LEU 11 HD23 LEU 11 -33.565 18.647 -8.170 228 H VAL 12 H VAL 12 -32.198 21.727 -5.276 229 HA VAL 12 HA VAL 12 -30.091 22.568 -3.418 230 HB VAL 12 HB VAL 12 -32.839 23.751 -3.965 231 HG11 VAL 12 HG11 VAL 12 -32.015 24.462 -1.760 232 HG12 VAL 12 HG12 VAL 12 -30.445 24.898 -2.471 233 HG13 VAL 12 HG13 VAL 12 -31.921 25.796 -2.910 234 HG21 VAL 12 HG21 VAL 12 -31.349 23.844 -5.946 235 HG22 VAL 12 HG22 VAL 12 -31.612 25.450 -5.256 236 HG23 VAL 12 HG23 VAL 12 -30.083 24.590 -4.955 237 H GLU 13 H GLU 13 -33.458 21.351 -3.164 238 HA GLU 13 HA GLU 13 -33.528 21.122 -0.309 239 HB2 GLU 13 HB2 GLU 13 -34.979 19.566 -2.460 240 HB3 GLU 13 HB3 GLU 13 -35.402 19.537 -0.750 241 HG2 GLU 13 HG2 GLU 13 -36.309 21.675 -0.765 242 HG3 GLU 13 HG3 GLU 13 -35.294 22.245 -2.078 243 H ALA 14 H ALA 14 -32.542 18.629 -2.790 244 HA ALA 14 HA ALA 14 -31.692 16.711 -0.877 245 HB1 ALA 14 HB1 ALA 14 -30.438 17.173 -3.606 246 HB2 ALA 14 HB2 ALA 14 -30.460 15.676 -2.666 247 HB3 ALA 14 HB3 ALA 14 -31.979 16.305 -3.339 248 H LEU 15 H LEU 15 -29.925 19.540 -2.125 249 HA LEU 15 HA LEU 15 -27.428 19.028 -0.836 250 HB2 LEU 15 HB2 LEU 15 -28.836 21.305 -2.115 251 HB3 LEU 15 HB3 LEU 15 -27.729 21.803 -0.876 252 HG LEU 15 HG LEU 15 -26.858 19.846 -3.014 253 HD11 LEU 15 HD11 LEU 15 -25.983 21.748 -4.298 254 HD12 LEU 15 HD12 LEU 15 -27.750 21.807 -4.179 255 HD13 LEU 15 HD13 LEU 15 -26.763 22.886 -3.166 256 HD21 LEU 15 HD21 LEU 15 -25.363 20.108 -1.077 257 HD22 LEU 15 HD22 LEU 15 -24.653 20.896 -2.494 258 HD23 LEU 15 HD23 LEU 15 -25.422 21.881 -1.245 259 H TYR 16 H TYR 16 -30.430 20.566 0.477 260 HA TYR 16 HA TYR 16 -29.277 20.991 3.108 261 HB2 TYR 16 HB2 TYR 16 -32.106 20.765 2.071 262 HB3 TYR 16 HB3 TYR 16 -31.801 20.637 3.787 263 HD1 TYR 16 HD1 TYR 16 -30.226 22.486 4.840 264 HD2 TYR 16 HD2 TYR 16 -32.533 22.954 1.222 265 HE1 TYR 16 HE1 TYR 16 -30.173 24.940 5.141 266 HE2 TYR 16 HE2 TYR 16 -32.522 25.427 1.549 267 HH TYR 16 HH TYR 16 -30.935 26.953 4.368 268 H LEU 17 H LEU 17 -30.984 18.138 1.676 269 HA LEU 17 HA LEU 17 -30.913 16.593 4.099 270 HB2 LEU 17 HB2 LEU 17 -31.020 15.705 1.194 271 HB3 LEU 17 HB3 LEU 17 -31.310 14.650 2.567 272 HG LEU 17 HG LEU 17 -33.017 17.100 1.925 273 HD11 LEU 17 HD11 LEU 17 -33.503 14.143 1.383 274 HD12 LEU 17 HD12 LEU 17 -34.680 15.457 1.140 275 HD13 LEU 17 HD13 LEU 17 -33.211 15.404 0.162 276 HD21 LEU 17 HD21 LEU 17 -34.630 16.066 3.475 277 HD22 LEU 17 HD22 LEU 17 -33.461 14.779 3.849 278 HD23 LEU 17 HD23 LEU 17 -33.122 16.465 4.303 279 H VAL 18 H VAL 18 -28.506 16.965 1.561 280 HA VAL 18 HA VAL 18 -26.654 14.968 2.614 281 HB VAL 18 HB VAL 18 -26.539 17.139 0.496 282 HG11 VAL 18 HG11 VAL 18 -24.262 15.275 1.253 283 HG12 VAL 18 HG12 VAL 18 -24.350 16.236 -0.224 284 HG13 VAL 18 HG13 VAL 18 -24.244 17.048 1.333 285 HG21 VAL 18 HG21 VAL 18 -26.311 14.101 0.335 286 HG22 VAL 18 HG22 VAL 18 -27.796 15.021 0.008 287 HG23 VAL 18 HG23 VAL 18 -26.373 15.228 -1.027 288 H CYS 19 H CYS 19 -26.826 18.550 2.776 289 HA CYS 19 HA CYS 19 -24.326 18.596 4.306 290 HB2 CYS 19 HB2 CYS 19 -24.820 19.998 2.311 291 HB3 CYS 19 HB3 CYS 19 -26.040 20.856 3.253 292 H GLY 20 H GLY 20 -27.733 19.167 5.045 293 HA2 GLY 20 HA2 GLY 20 -28.825 19.806 6.953 294 HA3 GLY 20 HA3 GLY 20 -27.348 19.543 7.878 295 H GLU 21 H GLU 21 -26.263 21.267 8.577 296 HA GLU 21 HA GLU 21 -27.717 23.694 8.812 297 HB2 GLU 21 HB2 GLU 21 -26.465 22.468 10.535 298 HB3 GLU 21 HB3 GLU 21 -24.947 22.820 9.705 299 HG2 GLU 21 HG2 GLU 21 -25.153 25.193 10.221 300 HG3 GLU 21 HG3 GLU 21 -26.792 24.946 10.859 301 H ARG 22 H ARG 22 -24.655 23.058 7.103 302 HA ARG 22 HA ARG 22 -23.714 25.639 7.614 303 HB2 ARG 22 HB2 ARG 22 -22.557 23.696 5.579 304 HB3 ARG 22 HB3 ARG 22 -21.727 25.008 6.397 305 HG2 ARG 22 HG2 ARG 22 -21.050 23.469 7.894 306 HG3 ARG 22 HG3 ARG 22 -22.655 23.616 8.581 307 HD2 ARG 22 HD2 ARG 22 -22.246 21.285 8.332 308 HD3 ARG 22 HD3 ARG 22 -23.375 21.700 7.027 309 HE ARG 22 HE ARG 22 -20.635 21.952 6.155 310 HH11 ARG 22 HH11 ARG 22 -23.145 19.511 6.508 311 HH12 ARG 22 HH12 ARG 22 -22.281 18.382 5.490 312 HH21 ARG 22 HH21 ARG 22 -19.686 20.505 4.826 313 HH22 ARG 22 HH22 ARG 22 -20.420 18.960 4.496 314 H GLY 23 H GLY 23 -25.523 24.822 4.809 315 HA2 GLY 23 HA2 GLY 23 -26.414 26.324 3.260 316 HA3 GLY 23 HA3 GLY 23 -25.407 27.605 3.922 317 H PHE 24 H PHE 24 -25.956 27.325 1.194 318 HA PHE 24 HA PHE 24 -23.909 25.644 -0.021 319 HB2 PHE 24 HB2 PHE 24 -26.120 27.143 -1.423 320 HB3 PHE 24 HB3 PHE 24 -25.259 25.708 -1.980 321 HD1 PHE 24 HD1 PHE 24 -25.300 23.953 0.380 322 HD2 PHE 24 HD2 PHE 24 -28.398 26.529 -1.148 323 HE1 PHE 24 HE1 PHE 24 -27.000 22.630 1.611 324 HE2 PHE 24 HE2 PHE 24 -30.101 25.163 0.038 325 HZ PHE 24 HZ PHE 24 -29.398 23.235 1.422 326 H PHE 25 H PHE 25 -22.242 26.216 -1.282 327 HA PHE 25 HA PHE 25 -21.353 28.959 -1.015 328 HB2 PHE 25 HB2 PHE 25 -19.859 26.993 -0.710 329 HB3 PHE 25 HB3 PHE 25 -19.909 26.725 -2.454 330 HD1 PHE 25 HD1 PHE 25 -18.730 28.308 -3.999 331 HD2 PHE 25 HD2 PHE 25 -18.767 28.975 0.266 332 HE1 PHE 25 HE1 PHE 25 -17.014 30.090 -4.256 333 HE2 PHE 25 HE2 PHE 25 -17.037 30.731 0.001 334 HZ PHE 25 HZ PHE 25 -16.164 31.292 -2.267 335 H TYR 26 H TYR 26 -22.076 26.965 -3.911 336 HA TYR 26 HA TYR 26 -22.235 27.515 -6.123 337 HB2 TYR 26 HB2 TYR 26 -24.059 29.510 -4.790 338 HB3 TYR 26 HB3 TYR 26 -24.006 29.268 -6.536 339 HD1 TYR 26 HD1 TYR 26 -23.917 26.580 -7.189 340 HD2 TYR 26 HD2 TYR 26 -25.905 28.377 -3.805 341 HE1 TYR 26 HE1 TYR 26 -25.417 24.640 -7.054 342 HE2 TYR 26 HE2 TYR 26 -27.511 26.455 -3.769 343 HH TYR 26 HH TYR 26 -27.129 23.640 -5.879 344 H THR 27 H THR 27 -20.211 27.927 -6.725 345 HA THR 27 HA THR 27 -19.124 30.546 -7.169 346 HB THR 27 HB THR 27 -17.641 29.377 -8.741 347 HG1 THR 27 HG1 THR 27 -17.942 27.149 -9.023 348 HG21 THR 27 HG21 THR 27 -18.084 27.495 -6.371 349 HG22 THR 27 HG22 THR 27 -16.596 27.747 -7.307 350 HG23 THR 27 HG23 THR 27 -17.203 29.028 -6.262 351 HA PRO 28 HA PRO 28 -18.097 31.731 -8.758 352 HB2 PRO 28 HB2 PRO 28 -18.140 33.917 -10.308 353 HB3 PRO 28 HB3 PRO 28 -17.811 32.287 -10.970 354 HG2 PRO 28 HG2 PRO 28 -20.430 33.822 -11.007 355 HG3 PRO 28 HG3 PRO 28 -19.644 32.937 -12.349 356 HD2 PRO 28 HD2 PRO 28 -21.642 31.877 -10.725 357 HD3 PRO 28 HD3 PRO 28 -20.413 30.887 -11.560 358 H LYS 29 H LYS 29 -17.932 32.748 -6.975 359 HA LYS 29 HA LYS 29 -18.857 35.522 -6.707 360 HB2 LYS 29 HB2 LYS 29 -19.222 33.469 -4.488 361 HB3 LYS 29 HB3 LYS 29 -19.108 35.204 -4.173 362 HG2 LYS 29 HG2 LYS 29 -21.092 35.676 -5.493 363 HG3 LYS 29 HG3 LYS 29 -21.238 33.982 -5.980 364 HD2 LYS 29 HD2 LYS 29 -21.438 34.927 -3.095 365 HD3 LYS 29 HD3 LYS 29 -22.817 34.623 -4.181 366 HE2 LYS 29 HE2 LYS 29 -21.946 32.300 -4.571 367 HE3 LYS 29 HE3 LYS 29 -20.684 32.583 -3.385 368 HZ1 LYS 29 HZ1 LYS 29 -23.590 32.579 -2.834 369 HZ2 LYS 29 HZ2 LYS 29 -22.503 31.405 -2.484 370 HZ3 LYS 29 HZ3 LYS 29 -22.398 32.844 -1.697 371 H ALA 30 H ALA 30 -17.037 32.945 -5.149 372 HA ALA 30 HA ALA 30 -14.833 33.972 -6.762 373 HB1 ALA 30 HB1 ALA 30 -13.407 32.223 -5.755 374 HB2 ALA 30 HB2 ALA 30 -13.898 33.401 -4.515 375 HB3 ALA 30 HB3 ALA 30 -14.693 31.804 -4.605 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -20.250 27.483 -10.022 2 H2 GLY 1 H2 GLY 1 -21.247 27.192 -11.299 3 H3 GLY 1 H3 GLY 1 -20.089 26.083 -10.887 4 HA2 GLY 1 HA2 GLY 1 -21.192 25.563 -8.847 5 HA3 GLY 1 HA3 GLY 1 -22.347 26.878 -9.177 6 H ILE 2 H ILE 2 -21.828 23.553 -9.513 7 HA ILE 2 HA ILE 2 -22.558 23.100 -12.173 8 HB ILE 2 HB ILE 2 -21.202 21.773 -10.442 9 HG12 ILE 2 HG12 ILE 2 -22.953 19.945 -12.065 10 HG13 ILE 2 HG13 ILE 2 -21.780 21.022 -12.836 11 HG21 ILE 2 HG21 ILE 2 -23.831 20.318 -9.928 12 HG22 ILE 2 HG22 ILE 2 -22.261 20.086 -9.154 13 HG23 ILE 2 HG23 ILE 2 -23.206 21.549 -8.828 14 HD11 ILE 2 HD11 ILE 2 -20.829 18.789 -12.499 15 HD12 ILE 2 HD12 ILE 2 -19.956 19.984 -11.517 16 HD13 ILE 2 HD13 ILE 2 -21.131 18.886 -10.757 17 H VAL 3 H VAL 3 -24.882 24.442 -10.537 18 HA VAL 3 HA VAL 3 -26.837 22.457 -10.015 19 HB VAL 3 HB VAL 3 -26.746 24.677 -8.967 20 HG11 VAL 3 HG11 VAL 3 -27.716 26.636 -10.032 21 HG12 VAL 3 HG12 VAL 3 -26.362 26.058 -11.016 22 HG13 VAL 3 HG13 VAL 3 -28.031 25.727 -11.522 23 HG21 VAL 3 HG21 VAL 3 -29.126 25.017 -8.732 24 HG22 VAL 3 HG22 VAL 3 -29.460 24.149 -10.246 25 HG23 VAL 3 HG23 VAL 3 -28.806 23.279 -8.843 26 H GLU 4 H GLU 4 -26.208 24.030 -13.122 27 HA GLU 4 HA GLU 4 -28.693 23.335 -14.399 28 HB2 GLU 4 HB2 GLU 4 -27.469 23.717 -16.462 29 HB3 GLU 4 HB3 GLU 4 -27.094 24.959 -15.260 30 HG2 GLU 4 HG2 GLU 4 -25.041 23.190 -14.768 31 HG3 GLU 4 HG3 GLU 4 -25.327 22.857 -16.469 32 H GLN 5 H GLN 5 -25.863 21.334 -13.595 33 HA GLN 5 HA GLN 5 -26.640 19.115 -15.325 34 HB2 GLN 5 HB2 GLN 5 -24.986 19.075 -12.785 35 HB3 GLN 5 HB3 GLN 5 -25.077 17.802 -13.997 36 HG2 GLN 5 HG2 GLN 5 -23.854 20.572 -14.370 37 HG3 GLN 5 HG3 GLN 5 -22.999 19.036 -14.216 38 HE21 GLN 5 HE21 GLN 5 -24.394 18.244 -17.657 39 HE22 GLN 5 HE22 GLN 5 -24.861 17.538 -16.099 40 H CYS 6 H CYS 6 -27.658 20.315 -12.226 41 HA CYS 6 HA CYS 6 -29.408 17.995 -11.670 42 HB2 CYS 6 HB2 CYS 6 -28.954 20.569 -10.140 43 HB3 CYS 6 HB3 CYS 6 -29.961 19.244 -9.627 44 H CYS 7 H CYS 7 -29.618 19.843 -14.006 45 HA CYS 7 HA CYS 7 -32.583 20.041 -13.982 46 HB2 CYS 7 HB2 CYS 7 -30.636 21.959 -15.339 47 HB3 CYS 7 HB3 CYS 7 -32.372 21.944 -15.585 48 H ALA 8 H ALA 8 -29.584 19.287 -15.685 49 HA ALA 8 HA ALA 8 -30.917 17.692 -17.744 50 HB1 ALA 8 HB1 ALA 8 -28.070 17.638 -16.647 51 HB2 ALA 8 HB2 ALA 8 -28.630 16.916 -18.172 52 HB3 ALA 8 HB3 ALA 8 -28.626 18.675 -17.981 53 H SER 9 H SER 9 -29.751 15.251 -17.572 54 HA SER 9 HA SER 9 -31.498 13.757 -16.061 55 HB2 SER 9 HB2 SER 9 -28.718 12.885 -16.917 56 HB3 SER 9 HB3 SER 9 -30.132 11.848 -16.648 57 HG SER 9 HG SER 9 -29.869 12.269 -18.868 58 H VAL 10 H VAL 10 -31.653 13.109 -14.052 59 HA VAL 10 HA VAL 10 -30.959 13.919 -11.775 60 HB VAL 10 HB VAL 10 -31.038 11.006 -12.508 61 HG11 VAL 10 HG11 VAL 10 -29.671 10.930 -10.455 62 HG12 VAL 10 HG12 VAL 10 -30.825 12.021 -9.641 63 HG13 VAL 10 HG13 VAL 10 -31.318 10.388 -10.170 64 HG21 VAL 10 HG21 VAL 10 -32.845 12.729 -10.744 65 HG22 VAL 10 HG22 VAL 10 -33.102 12.487 -12.469 66 HG23 VAL 10 HG23 VAL 10 -33.192 11.106 -11.382 67 H CYS 11 H CYS 11 -29.282 14.985 -11.119 68 HA CYS 11 HA CYS 11 -26.633 14.297 -11.699 69 HB2 CYS 11 HB2 CYS 11 -26.044 16.266 -10.436 70 HB3 CYS 11 HB3 CYS 11 -27.414 16.543 -11.485 71 H SER 12 H SER 12 -24.853 13.945 -10.411 72 HA SER 12 HA SER 12 -25.207 11.665 -8.628 73 HB2 SER 12 HB2 SER 12 -22.532 12.927 -9.240 74 HB3 SER 12 HB3 SER 12 -22.931 11.227 -8.993 75 HG SER 12 HG SER 12 -23.991 11.283 -11.042 76 H LEU 13 H LEU 13 -24.141 11.402 -6.567 77 HA LEU 13 HA LEU 13 -24.582 13.408 -4.666 78 HB2 LEU 13 HB2 LEU 13 -22.617 11.064 -4.549 79 HB3 LEU 13 HB3 LEU 13 -23.140 12.047 -3.190 80 HG LEU 13 HG LEU 13 -25.526 11.297 -3.650 81 HD11 LEU 13 HD11 LEU 13 -25.681 8.999 -4.743 82 HD12 LEU 13 HD12 LEU 13 -25.481 10.329 -5.869 83 HD13 LEU 13 HD13 LEU 13 -24.083 9.289 -5.441 84 HD21 LEU 13 HD21 LEU 13 -25.192 9.168 -2.474 85 HD22 LEU 13 HD22 LEU 13 -23.468 9.172 -2.914 86 HD23 LEU 13 HD23 LEU 13 -24.123 10.410 -1.823 87 H TYR 14 H TYR 14 -21.463 12.546 -6.220 88 HA TYR 14 HA TYR 14 -19.798 14.386 -4.995 89 HB2 TYR 14 HB2 TYR 14 -19.594 13.775 -7.948 90 HB3 TYR 14 HB3 TYR 14 -18.299 14.002 -6.785 91 HD1 TYR 14 HD1 TYR 14 -18.264 12.175 -4.790 92 HD2 TYR 14 HD2 TYR 14 -20.093 11.608 -8.663 93 HE1 TYR 14 HE1 TYR 14 -18.155 9.709 -4.488 94 HE2 TYR 14 HE2 TYR 14 -19.983 9.136 -8.342 95 HH TYR 14 HH TYR 14 -18.396 7.668 -5.534 96 H GLN 15 H GLN 15 -22.243 15.131 -7.449 97 HA GLN 15 HA GLN 15 -21.139 17.742 -8.181 98 HB2 GLN 15 HB2 GLN 15 -23.928 16.604 -8.669 99 HB3 GLN 15 HB3 GLN 15 -23.177 17.967 -9.479 100 HG2 GLN 15 HG2 GLN 15 -21.453 16.408 -10.454 101 HG3 GLN 15 HG3 GLN 15 -22.288 15.055 -9.700 102 HE21 GLN 15 HE21 GLN 15 -24.085 14.794 -12.762 103 HE22 GLN 15 HE22 GLN 15 -23.057 13.921 -11.625 104 H LEU 16 H LEU 16 -23.083 16.474 -5.585 105 HA LEU 16 HA LEU 16 -24.171 19.108 -4.800 106 HB2 LEU 16 HB2 LEU 16 -24.285 16.465 -3.307 107 HB3 LEU 16 HB3 LEU 16 -25.261 17.881 -3.031 108 HG LEU 16 HG LEU 16 -25.379 15.992 -5.421 109 HD11 LEU 16 HD11 LEU 16 -27.618 15.527 -4.633 110 HD12 LEU 16 HD12 LEU 16 -26.437 15.186 -3.352 111 HD13 LEU 16 HD13 LEU 16 -27.425 16.664 -3.279 112 HD21 LEU 16 HD21 LEU 16 -27.316 17.261 -6.240 113 HD22 LEU 16 HD22 LEU 16 -27.094 18.478 -4.974 114 HD23 LEU 16 HD23 LEU 16 -25.876 18.273 -6.252 115 H GLU 17 H GLU 17 -22.035 16.605 -3.395 116 HA GLU 17 HA GLU 17 -20.876 17.946 -1.274 117 HB2 GLU 17 HB2 GLU 17 -19.652 15.979 -3.253 118 HB3 GLU 17 HB3 GLU 17 -18.862 16.446 -1.752 119 HG2 GLU 17 HG2 GLU 17 -21.587 15.091 -1.975 120 HG3 GLU 17 HG3 GLU 17 -20.071 14.289 -1.566 121 H ASN 18 H ASN 18 -19.912 18.240 -4.672 122 HA ASN 18 HA ASN 18 -17.599 19.730 -4.568 123 HB2 ASN 18 HB2 ASN 18 -18.725 18.840 -6.579 124 HB3 ASN 18 HB3 ASN 18 -20.016 20.028 -6.418 125 HD21 ASN 18 HD21 ASN 18 -16.596 21.933 -7.514 126 HD22 ASN 18 HD22 ASN 18 -16.738 21.244 -5.903 127 H TYR 19 H TYR 19 -20.663 20.872 -3.304 128 HA TYR 19 HA TYR 19 -19.448 23.579 -2.966 129 HB2 TYR 19 HB2 TYR 19 -22.367 22.998 -3.558 130 HB3 TYR 19 HB3 TYR 19 -21.658 24.587 -3.286 131 HD1 TYR 19 HD1 TYR 19 -19.901 25.478 -4.881 132 HD2 TYR 19 HD2 TYR 19 -22.100 21.845 -5.670 133 HE1 TYR 19 HE1 TYR 19 -19.041 25.459 -7.228 134 HE2 TYR 19 HE2 TYR 19 -21.158 21.790 -7.948 135 HH TYR 19 HH TYR 19 -19.177 22.671 -9.078 136 H CYS 20 H CYS 20 -20.067 20.988 -1.102 137 HA CYS 20 HA CYS 20 -21.694 22.130 1.002 138 HB2 CYS 20 HB2 CYS 20 -21.331 19.692 0.683 139 HB3 CYS 20 HB3 CYS 20 -19.638 19.908 1.112 140 H ASN 21 H ASN 21 -21.102 23.111 2.942 141 HA ASN 21 HA ASN 21 -18.269 23.956 3.341 142 HB2 ASN 21 HB2 ASN 21 -20.746 25.741 3.527 143 HB3 ASN 21 HB3 ASN 21 -19.182 26.157 4.201 144 HD21 ASN 21 HD21 ASN 21 -18.289 26.135 0.384 145 HD22 ASN 21 HD22 ASN 21 -18.363 24.665 1.360 146 H1 PHE 1 H1 PHE 1 -31.218 8.020 -7.894 147 H2 PHE 1 H2 PHE 1 -29.811 8.538 -8.598 148 H3 PHE 1 H3 PHE 1 -31.167 9.493 -8.584 149 HA PHE 1 HA PHE 1 -29.741 8.633 -6.170 150 HB2 PHE 1 HB2 PHE 1 -28.287 10.181 -7.283 151 HB3 PHE 1 HB3 PHE 1 -29.616 11.270 -7.659 152 HD1 PHE 1 HD1 PHE 1 -28.141 9.608 -4.573 153 HD2 PHE 1 HD2 PHE 1 -29.761 13.208 -6.352 154 HE1 PHE 1 HE1 PHE 1 -27.873 10.806 -2.423 155 HE2 PHE 1 HE2 PHE 1 -29.515 14.370 -4.188 156 HZ PHE 1 HZ PHE 1 -28.550 13.187 -2.223 157 H VAL 2 H VAL 2 -31.494 11.699 -6.562 158 HA VAL 2 HA VAL 2 -34.000 10.522 -5.547 159 HB VAL 2 HB VAL 2 -33.171 13.022 -5.399 160 HG11 VAL 2 HG11 VAL 2 -34.022 14.516 -7.068 161 HG12 VAL 2 HG12 VAL 2 -32.924 13.378 -7.860 162 HG13 VAL 2 HG13 VAL 2 -34.685 13.195 -8.030 163 HG21 VAL 2 HG21 VAL 2 -35.214 12.211 -4.421 164 HG22 VAL 2 HG22 VAL 2 -35.503 13.759 -5.229 165 HG23 VAL 2 HG23 VAL 2 -36.043 12.245 -5.984 166 H ASN 3 H ASN 3 -35.935 10.846 -7.241 167 HA ASN 3 HA ASN 3 -35.261 8.949 -9.371 168 HB2 ASN 3 HB2 ASN 3 -37.915 9.923 -8.228 169 HB3 ASN 3 HB3 ASN 3 -37.728 8.632 -9.404 170 HD21 ASN 3 HD21 ASN 3 -37.778 6.604 -8.521 171 HD22 ASN 3 HD22 ASN 3 -37.302 6.276 -6.854 172 H GLN 4 H GLN 4 -35.755 12.307 -9.336 173 HA GLN 4 HA GLN 4 -36.705 12.351 -12.153 174 HB2 GLN 4 HB2 GLN 4 -38.318 13.990 -11.592 175 HB3 GLN 4 HB3 GLN 4 -38.567 12.604 -10.554 176 HG2 GLN 4 HG2 GLN 4 -37.137 15.157 -9.636 177 HG3 GLN 4 HG3 GLN 4 -38.865 14.921 -9.541 178 HE21 GLN 4 HE21 GLN 4 -37.825 14.062 -6.191 179 HE22 GLN 4 HE22 GLN 4 -38.119 15.490 -7.180 180 H HIS 5 H HIS 5 -36.057 13.907 -13.499 181 HA HIS 5 HA HIS 5 -33.669 15.426 -12.905 182 HB2 HIS 5 HB2 HIS 5 -35.251 15.742 -15.437 183 HB3 HIS 5 HB3 HIS 5 -33.513 15.744 -15.205 184 HD2 HIS 5 HD2 HIS 5 -36.094 13.762 -16.716 185 HE1 HIS 5 HE1 HIS 5 -33.391 10.739 -15.407 186 HE2 HIS 5 HE2 HIS 5 -35.388 11.230 -16.909 187 H LEU 6 H LEU 6 -35.823 16.385 -11.249 188 HA LEU 6 HA LEU 6 -37.176 18.553 -12.639 189 HB2 LEU 6 HB2 LEU 6 -38.241 17.015 -10.980 190 HB3 LEU 6 HB3 LEU 6 -37.336 17.819 -9.706 191 HG LEU 6 HG LEU 6 -39.710 18.510 -9.930 192 HD11 LEU 6 HD11 LEU 6 -37.903 20.882 -10.525 193 HD12 LEU 6 HD12 LEU 6 -39.454 20.874 -9.677 194 HD13 LEU 6 HD13 LEU 6 -38.053 20.084 -8.943 195 HD21 LEU 6 HD21 LEU 6 -39.875 18.372 -12.414 196 HD22 LEU 6 HD22 LEU 6 -40.537 19.861 -11.717 197 HD23 LEU 6 HD23 LEU 6 -38.962 19.897 -12.522 198 H CYS 7 H CYS 7 -35.998 20.133 -13.184 199 HA CYS 7 HA CYS 7 -33.619 20.904 -12.384 200 HB2 CYS 7 HB2 CYS 7 -34.670 21.616 -14.427 201 HB3 CYS 7 HB3 CYS 7 -35.790 22.656 -13.546 202 H GLY 8 H GLY 8 -32.604 21.699 -10.770 203 HA2 GLY 8 HA2 GLY 8 -31.970 23.164 -9.097 204 HA3 GLY 8 HA3 GLY 8 -33.406 24.144 -9.422 205 H SER 9 H SER 9 -35.511 23.209 -8.590 206 HA SER 9 HA SER 9 -35.243 23.616 -5.891 207 HB2 SER 9 HB2 SER 9 -37.327 23.814 -7.408 208 HB3 SER 9 HB3 SER 9 -37.702 22.164 -6.875 209 HG SER 9 HG SER 9 -37.674 22.915 -4.708 210 H HIS 10 H HIS 10 -36.217 20.363 -7.157 211 HA HIS 10 HA HIS 10 -36.107 19.109 -4.604 212 HB2 HIS 10 HB2 HIS 10 -35.861 17.918 -7.390 213 HB3 HIS 10 HB3 HIS 10 -36.146 16.996 -5.914 214 HD2 HIS 10 HD2 HIS 10 -38.313 19.720 -5.146 215 HE1 HIS 10 HE1 HIS 10 -40.737 17.378 -7.740 216 HE2 HIS 10 HE2 HIS 10 -40.728 19.256 -6.007 217 H LEU 11 H LEU 11 -33.417 19.973 -6.622 218 HA LEU 11 HA LEU 11 -31.624 18.047 -5.213 219 HB2 LEU 11 HB2 LEU 11 -31.294 19.648 -7.762 220 HB3 LEU 11 HB3 LEU 11 -29.981 18.788 -6.976 221 HG LEU 11 HG LEU 11 -30.746 17.445 -8.767 222 HD11 LEU 11 HD11 LEU 11 -31.891 16.134 -6.289 223 HD12 LEU 11 HD12 LEU 11 -31.203 15.362 -7.735 224 HD13 LEU 11 HD13 LEU 11 -30.148 16.281 -6.642 225 HD21 LEU 11 HD21 LEU 11 -33.057 18.353 -9.007 226 HD22 LEU 11 HD22 LEU 11 -32.907 16.599 -9.178 227 HD23 LEU 11 HD23 LEU 11 -33.556 17.272 -7.681 228 H VAL 12 H VAL 12 -32.384 21.432 -5.468 229 HA VAL 12 HA VAL 12 -30.312 22.427 -3.664 230 HB VAL 12 HB VAL 12 -33.052 23.399 -4.560 231 HG11 VAL 12 HG11 VAL 12 -32.804 24.221 -2.278 232 HG12 VAL 12 HG12 VAL 12 -31.166 24.813 -2.661 233 HG13 VAL 12 HG13 VAL 12 -32.592 25.534 -3.437 234 HG21 VAL 12 HG21 VAL 12 -31.175 23.566 -6.180 235 HG22 VAL 12 HG22 VAL 12 -31.743 25.158 -5.659 236 HG23 VAL 12 HG23 VAL 12 -30.237 24.482 -4.991 237 H GLU 13 H GLU 13 -33.696 21.259 -3.260 238 HA GLU 13 HA GLU 13 -33.741 21.126 -0.418 239 HB2 GLU 13 HB2 GLU 13 -35.141 19.472 -2.527 240 HB3 GLU 13 HB3 GLU 13 -35.552 19.430 -0.813 241 HG2 GLU 13 HG2 GLU 13 -36.537 21.538 -0.834 242 HG3 GLU 13 HG3 GLU 13 -35.579 22.126 -2.177 243 H ALA 14 H ALA 14 -32.775 18.518 -2.783 244 HA ALA 14 HA ALA 14 -31.931 16.668 -0.819 245 HB1 ALA 14 HB1 ALA 14 -30.632 17.105 -3.532 246 HB2 ALA 14 HB2 ALA 14 -30.629 15.632 -2.556 247 HB3 ALA 14 HB3 ALA 14 -32.148 16.198 -3.269 248 H LEU 15 H LEU 15 -30.085 19.440 -2.197 249 HA LEU 15 HA LEU 15 -27.718 18.908 -0.663 250 HB2 LEU 15 HB2 LEU 15 -28.797 21.101 -2.357 251 HB3 LEU 15 HB3 LEU 15 -27.701 21.633 -1.106 252 HG LEU 15 HG LEU 15 -26.978 19.313 -2.904 253 HD11 LEU 15 HD11 LEU 15 -25.685 20.961 -4.258 254 HD12 LEU 15 HD12 LEU 15 -27.447 21.160 -4.374 255 HD13 LEU 15 HD13 LEU 15 -26.486 22.275 -3.345 256 HD21 LEU 15 HD21 LEU 15 -25.603 19.620 -0.850 257 HD22 LEU 15 HD22 LEU 15 -24.668 20.049 -2.284 258 HD23 LEU 15 HD23 LEU 15 -25.349 21.324 -1.271 259 H TYR 16 H TYR 16 -30.691 20.742 0.241 260 HA TYR 16 HA TYR 16 -29.577 21.500 2.820 261 HB2 TYR 16 HB2 TYR 16 -32.434 21.234 1.844 262 HB3 TYR 16 HB3 TYR 16 -32.025 21.659 3.499 263 HD1 TYR 16 HD1 TYR 16 -30.367 23.652 3.862 264 HD2 TYR 16 HD2 TYR 16 -32.680 23.015 0.280 265 HE1 TYR 16 HE1 TYR 16 -30.090 26.047 3.257 266 HE2 TYR 16 HE2 TYR 16 -32.437 25.429 -0.295 267 HH TYR 16 HH TYR 16 -30.466 27.632 1.672 268 H LEU 17 H LEU 17 -31.193 18.522 1.676 269 HA LEU 17 HA LEU 17 -31.199 17.267 4.299 270 HB2 LEU 17 HB2 LEU 17 -31.267 16.073 1.506 271 HB3 LEU 17 HB3 LEU 17 -31.515 15.160 2.981 272 HG LEU 17 HG LEU 17 -33.319 17.476 2.135 273 HD11 LEU 17 HD11 LEU 17 -33.686 14.474 1.773 274 HD12 LEU 17 HD12 LEU 17 -34.906 15.726 1.431 275 HD13 LEU 17 HD13 LEU 17 -33.421 15.662 0.480 276 HD21 LEU 17 HD21 LEU 17 -34.897 16.475 3.735 277 HD22 LEU 17 HD22 LEU 17 -33.689 15.248 4.181 278 HD23 LEU 17 HD23 LEU 17 -33.407 16.964 4.550 279 H VAL 18 H VAL 18 -28.650 17.749 1.955 280 HA VAL 18 HA VAL 18 -26.901 15.766 3.294 281 HB VAL 18 HB VAL 18 -26.628 17.390 0.763 282 HG11 VAL 18 HG11 VAL 18 -24.593 15.472 1.983 283 HG12 VAL 18 HG12 VAL 18 -24.550 16.087 0.320 284 HG13 VAL 18 HG13 VAL 18 -24.353 17.195 1.665 285 HG21 VAL 18 HG21 VAL 18 -26.733 14.381 1.297 286 HG22 VAL 18 HG22 VAL 18 -28.109 15.345 0.736 287 HG23 VAL 18 HG23 VAL 18 -26.679 15.172 -0.295 288 H CYS 19 H CYS 19 -26.699 19.324 2.675 289 HA CYS 19 HA CYS 19 -24.908 19.483 5.068 290 HB2 CYS 19 HB2 CYS 19 -24.456 20.837 2.391 291 HB3 CYS 19 HB3 CYS 19 -23.613 21.248 3.885 292 H GLY 20 H GLY 20 -27.893 20.138 4.743 293 HA2 GLY 20 HA2 GLY 20 -28.280 22.917 4.681 294 HA3 GLY 20 HA3 GLY 20 -29.371 21.753 5.432 295 H GLU 21 H GLU 21 -26.762 21.319 7.293 296 HA GLU 21 HA GLU 21 -27.469 23.062 9.496 297 HB2 GLU 21 HB2 GLU 21 -26.372 20.865 9.712 298 HB3 GLU 21 HB3 GLU 21 -25.005 21.457 8.776 299 HG2 GLU 21 HG2 GLU 21 -24.620 23.164 10.678 300 HG3 GLU 21 HG3 GLU 21 -25.855 22.282 11.585 301 H ARG 22 H ARG 22 -25.208 23.349 6.777 302 HA ARG 22 HA ARG 22 -24.578 26.178 7.592 303 HB2 ARG 22 HB2 ARG 22 -22.757 24.245 6.094 304 HB3 ARG 22 HB3 ARG 22 -22.427 25.930 6.446 305 HG2 ARG 22 HG2 ARG 22 -21.231 25.053 8.148 306 HG3 ARG 22 HG3 ARG 22 -22.776 25.196 8.976 307 HD2 ARG 22 HD2 ARG 22 -21.786 23.047 9.484 308 HD3 ARG 22 HD3 ARG 22 -23.212 22.779 8.477 309 HE ARG 22 HE ARG 22 -20.774 23.000 6.898 310 HH11 ARG 22 HH11 ARG 22 -22.549 20.642 8.811 311 HH12 ARG 22 HH12 ARG 22 -22.057 19.320 7.796 312 HH21 ARG 22 HH21 ARG 22 -20.016 21.272 5.833 313 HH22 ARG 22 HH22 ARG 22 -20.726 19.682 6.051 314 H GLY 23 H GLY 23 -25.536 24.045 4.974 315 HA2 GLY 23 HA2 GLY 23 -26.731 24.797 3.017 316 HA3 GLY 23 HA3 GLY 23 -25.997 26.390 3.187 317 H PHE 24 H PHE 24 -25.157 26.439 1.100 318 HA PHE 24 HA PHE 24 -22.807 24.820 0.474 319 HB2 PHE 24 HB2 PHE 24 -23.990 24.094 -1.738 320 HB3 PHE 24 HB3 PHE 24 -24.264 23.195 -0.259 321 HD1 PHE 24 HD1 PHE 24 -26.421 23.133 0.835 322 HD2 PHE 24 HD2 PHE 24 -25.801 25.649 -2.614 323 HE1 PHE 24 HE1 PHE 24 -28.868 23.578 0.717 324 HE2 PHE 24 HE2 PHE 24 -28.246 26.055 -2.745 325 HZ PHE 24 HZ PHE 24 -29.767 25.055 -1.045 326 H PHE 25 H PHE 25 -21.474 25.737 -0.993 327 HA PHE 25 HA PHE 25 -21.733 28.513 -0.985 328 HB2 PHE 25 HB2 PHE 25 -19.631 27.229 -0.760 329 HB3 PHE 25 HB3 PHE 25 -19.653 26.898 -2.487 330 HD1 PHE 25 HD1 PHE 25 -19.003 28.637 -4.089 331 HD2 PHE 25 HD2 PHE 25 -19.334 29.545 0.112 332 HE1 PHE 25 HE1 PHE 25 -17.893 30.816 -4.473 333 HE2 PHE 25 HE2 PHE 25 -18.224 31.737 -0.280 334 HZ PHE 25 HZ PHE 25 -17.496 32.370 -2.576 335 H TYR 26 H TYR 26 -21.826 26.427 -3.899 336 HA TYR 26 HA TYR 26 -22.052 26.898 -6.127 337 HB2 TYR 26 HB2 TYR 26 -24.151 28.780 -5.036 338 HB3 TYR 26 HB3 TYR 26 -23.955 28.377 -6.731 339 HD1 TYR 26 HD1 TYR 26 -23.270 25.256 -5.373 340 HD2 TYR 26 HD2 TYR 26 -26.523 28.062 -5.780 341 HE1 TYR 26 HE1 TYR 26 -24.884 23.402 -5.197 342 HE2 TYR 26 HE2 TYR 26 -28.146 26.175 -5.648 343 HH TYR 26 HH TYR 26 -27.105 22.840 -5.007 344 H THR 27 H THR 27 -20.035 27.621 -6.623 345 HA THR 27 HA THR 27 -19.273 30.396 -6.907 346 HB THR 27 HB THR 27 -17.581 29.518 -8.426 347 HG1 THR 27 HG1 THR 27 -17.604 27.446 -9.076 348 HG21 THR 27 HG21 THR 27 -17.925 27.355 -6.283 349 HG22 THR 27 HG22 THR 27 -16.430 27.890 -7.082 350 HG23 THR 27 HG23 THR 27 -17.256 28.959 -5.959 351 HA PRO 28 HA PRO 28 -18.186 31.609 -8.724 352 HB2 PRO 28 HB2 PRO 28 -18.467 33.764 -10.299 353 HB3 PRO 28 HB3 PRO 28 -18.048 32.153 -10.955 354 HG2 PRO 28 HG2 PRO 28 -20.776 33.482 -10.872 355 HG3 PRO 28 HG3 PRO 28 -19.989 32.650 -12.247 356 HD2 PRO 28 HD2 PRO 28 -21.812 31.433 -10.551 357 HD3 PRO 28 HD3 PRO 28 -20.511 30.542 -11.393 358 H LYS 29 H LYS 29 -17.988 32.670 -7.014 359 HA LYS 29 HA LYS 29 -19.062 35.368 -6.629 360 HB2 LYS 29 HB2 LYS 29 -19.227 33.222 -4.467 361 HB3 LYS 29 HB3 LYS 29 -19.175 34.948 -4.091 362 HG2 LYS 29 HG2 LYS 29 -21.238 35.364 -5.311 363 HG3 LYS 29 HG3 LYS 29 -21.324 33.680 -5.844 364 HD2 LYS 29 HD2 LYS 29 -21.419 34.499 -2.925 365 HD3 LYS 29 HD3 LYS 29 -22.842 34.229 -3.956 366 HE2 LYS 29 HE2 LYS 29 -21.996 31.921 -4.480 367 HE3 LYS 29 HE3 LYS 29 -20.669 32.167 -3.345 368 HZ1 LYS 29 HZ1 LYS 29 -23.547 32.210 -2.643 369 HZ2 LYS 29 HZ2 LYS 29 -22.516 30.981 -2.397 370 HZ3 LYS 29 HZ3 LYS 29 -22.285 32.396 -1.572 371 H ALA 30 H ALA 30 -17.092 32.864 -5.143 372 HA ALA 30 HA ALA 30 -15.006 33.830 -6.938 373 HB1 ALA 30 HB1 ALA 30 -13.436 32.255 -5.864 374 HB2 ALA 30 HB2 ALA 30 -13.935 33.511 -4.710 375 HB3 ALA 30 HB3 ALA 30 -14.638 31.874 -4.611 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -21.771 27.963 -10.355 2 H2 GLY 1 H2 GLY 1 -21.322 26.932 -11.578 3 H3 GLY 1 H3 GLY 1 -21.029 26.529 -10.018 4 HA2 GLY 1 HA2 GLY 1 -23.431 26.433 -9.603 5 HA3 GLY 1 HA3 GLY 1 -23.659 26.711 -11.348 6 H ILE 2 H ILE 2 -24.721 24.500 -10.389 7 HA ILE 2 HA ILE 2 -23.594 22.498 -11.908 8 HB ILE 2 HB ILE 2 -22.063 22.326 -9.861 9 HG12 ILE 2 HG12 ILE 2 -23.409 19.701 -10.525 10 HG13 ILE 2 HG13 ILE 2 -22.444 20.596 -11.704 11 HG21 ILE 2 HG21 ILE 2 -24.451 20.896 -8.609 12 HG22 ILE 2 HG22 ILE 2 -22.843 21.104 -7.925 13 HG23 ILE 2 HG23 ILE 2 -23.870 22.516 -8.139 14 HD11 ILE 2 HD11 ILE 2 -21.084 18.895 -10.616 15 HD12 ILE 2 HD12 ILE 2 -20.478 20.521 -10.247 16 HD13 ILE 2 HD13 ILE 2 -21.401 19.617 -9.027 17 H VAL 3 H VAL 3 -26.183 23.785 -10.237 18 HA VAL 3 HA VAL 3 -27.860 21.438 -9.843 19 HB VAL 3 HB VAL 3 -28.157 23.579 -8.633 20 HG11 VAL 3 HG11 VAL 3 -29.302 25.472 -9.648 21 HG12 VAL 3 HG12 VAL 3 -27.785 25.183 -10.510 22 HG13 VAL 3 HG13 VAL 3 -29.322 24.668 -11.228 23 HG21 VAL 3 HG21 VAL 3 -30.577 23.606 -8.652 24 HG22 VAL 3 HG22 VAL 3 -30.613 22.751 -10.207 25 HG23 VAL 3 HG23 VAL 3 -29.982 21.937 -8.759 26 H GLU 4 H GLU 4 -27.039 23.526 -12.488 27 HA GLU 4 HA GLU 4 -28.820 22.789 -14.506 28 HB2 GLU 4 HB2 GLU 4 -26.840 23.228 -15.976 29 HB3 GLU 4 HB3 GLU 4 -27.293 24.521 -14.882 30 HG2 GLU 4 HG2 GLU 4 -25.077 22.629 -14.061 31 HG3 GLU 4 HG3 GLU 4 -24.775 23.835 -15.297 32 H GLN 5 H GLN 5 -26.312 20.713 -13.036 33 HA GLN 5 HA GLN 5 -26.492 18.601 -15.032 34 HB2 GLN 5 HB2 GLN 5 -25.702 18.464 -12.084 35 HB3 GLN 5 HB3 GLN 5 -25.446 17.200 -13.270 36 HG2 GLN 5 HG2 GLN 5 -24.148 19.965 -13.334 37 HG3 GLN 5 HG3 GLN 5 -23.393 18.464 -12.797 38 HE21 GLN 5 HE21 GLN 5 -23.500 17.288 -16.355 39 HE22 GLN 5 HE22 GLN 5 -24.237 16.658 -14.876 40 H CYS 6 H CYS 6 -28.408 19.456 -12.163 41 HA CYS 6 HA CYS 6 -29.892 16.901 -12.134 42 HB2 CYS 6 HB2 CYS 6 -30.467 19.561 -10.777 43 HB3 CYS 6 HB3 CYS 6 -31.284 18.033 -10.495 44 H CYS 7 H CYS 7 -30.237 20.152 -13.444 45 HA CYS 7 HA CYS 7 -32.985 20.056 -14.124 46 HB2 CYS 7 HB2 CYS 7 -30.634 21.672 -15.161 47 HB3 CYS 7 HB3 CYS 7 -32.302 22.028 -15.587 48 H ALA 8 H ALA 8 -30.638 18.154 -15.549 49 HA ALA 8 HA ALA 8 -32.497 17.415 -17.690 50 HB1 ALA 8 HB1 ALA 8 -30.839 17.698 -19.492 51 HB2 ALA 8 HB2 ALA 8 -31.153 19.245 -18.695 52 HB3 ALA 8 HB3 ALA 8 -29.661 18.347 -18.328 53 H SER 9 H SER 9 -30.858 16.169 -15.198 54 HA SER 9 HA SER 9 -30.571 13.533 -16.337 55 HB2 SER 9 HB2 SER 9 -28.127 15.269 -16.103 56 HB3 SER 9 HB3 SER 9 -27.970 13.570 -15.632 57 HG SER 9 HG SER 9 -29.161 14.409 -18.059 58 H VAL 10 H VAL 10 -29.556 11.969 -14.867 59 HA VAL 10 HA VAL 10 -30.684 12.133 -12.223 60 HB VAL 10 HB VAL 10 -28.913 9.968 -13.433 61 HG11 VAL 10 HG11 VAL 10 -30.772 9.966 -11.013 62 HG12 VAL 10 HG12 VAL 10 -30.142 8.490 -11.777 63 HG13 VAL 10 HG13 VAL 10 -29.019 9.612 -11.029 64 HG21 VAL 10 HG21 VAL 10 -31.936 10.143 -13.227 65 HG22 VAL 10 HG22 VAL 10 -31.017 10.332 -14.736 66 HG23 VAL 10 HG23 VAL 10 -31.009 8.781 -13.897 67 H CYS 11 H CYS 11 -29.380 14.155 -11.762 68 HA CYS 11 HA CYS 11 -26.647 14.033 -11.171 69 HB2 CYS 11 HB2 CYS 11 -26.906 16.062 -9.967 70 HB3 CYS 11 HB3 CYS 11 -27.964 16.095 -11.358 71 H SER 12 H SER 12 -25.436 13.774 -9.297 72 HA SER 12 HA SER 12 -26.538 12.182 -7.071 73 HB2 SER 12 HB2 SER 12 -24.657 10.965 -9.147 74 HB3 SER 12 HB3 SER 12 -25.094 10.222 -7.605 75 HG SER 12 HG SER 12 -26.768 10.764 -9.832 76 H LEU 13 H LEU 13 -25.001 11.595 -5.473 77 HA LEU 13 HA LEU 13 -24.346 13.872 -4.363 78 HB2 LEU 13 HB2 LEU 13 -23.023 11.265 -3.572 79 HB3 LEU 13 HB3 LEU 13 -23.241 12.688 -2.573 80 HG LEU 13 HG LEU 13 -25.857 12.157 -3.484 81 HD11 LEU 13 HD11 LEU 13 -26.237 9.799 -2.932 82 HD12 LEU 13 HD12 LEU 13 -25.081 9.913 -4.277 83 HD13 LEU 13 HD13 LEU 13 -24.511 9.561 -2.632 84 HD21 LEU 13 HD21 LEU 13 -26.303 11.491 -1.159 85 HD22 LEU 13 HD22 LEU 13 -24.554 11.325 -0.863 86 HD23 LEU 13 HD23 LEU 13 -25.242 12.911 -1.227 87 H TYR 14 H TYR 14 -21.749 12.173 -6.170 88 HA TYR 14 HA TYR 14 -19.545 13.690 -5.328 89 HB2 TYR 14 HB2 TYR 14 -20.008 13.149 -8.259 90 HB3 TYR 14 HB3 TYR 14 -18.515 13.065 -7.347 91 HD1 TYR 14 HD1 TYR 14 -18.412 11.133 -5.505 92 HD2 TYR 14 HD2 TYR 14 -21.121 11.197 -8.864 93 HE1 TYR 14 HE1 TYR 14 -18.708 8.665 -5.321 94 HE2 TYR 14 HE2 TYR 14 -21.402 8.722 -8.677 95 HH TYR 14 HH TYR 14 -19.583 6.778 -6.355 96 H GLN 15 H GLN 15 -22.267 14.738 -7.273 97 HA GLN 15 HA GLN 15 -21.046 17.284 -8.132 98 HB2 GLN 15 HB2 GLN 15 -23.852 16.129 -8.385 99 HB3 GLN 15 HB3 GLN 15 -23.314 17.614 -9.158 100 HG2 GLN 15 HG2 GLN 15 -22.116 16.532 -10.792 101 HG3 GLN 15 HG3 GLN 15 -21.635 15.200 -9.758 102 HE21 GLN 15 HE21 GLN 15 -23.956 13.205 -11.515 103 HE22 GLN 15 HE22 GLN 15 -22.362 13.327 -10.778 104 H LEU 16 H LEU 16 -22.618 16.165 -5.311 105 HA LEU 16 HA LEU 16 -23.983 18.724 -4.712 106 HB2 LEU 16 HB2 LEU 16 -24.214 16.037 -3.304 107 HB3 LEU 16 HB3 LEU 16 -25.217 17.448 -3.043 108 HG LEU 16 HG LEU 16 -25.146 15.686 -5.528 109 HD11 LEU 16 HD11 LEU 16 -27.442 15.168 -4.929 110 HD12 LEU 16 HD12 LEU 16 -26.389 14.836 -3.534 111 HD13 LEU 16 HD13 LEU 16 -27.382 16.302 -3.556 112 HD21 LEU 16 HD21 LEU 16 -27.028 17.049 -6.394 113 HD22 LEU 16 HD22 LEU 16 -26.797 18.200 -5.064 114 HD23 LEU 16 HD23 LEU 16 -25.534 17.992 -6.295 115 H GLU 17 H GLU 17 -21.909 16.318 -2.984 116 HA GLU 17 HA GLU 17 -21.200 17.741 -0.753 117 HB2 GLU 17 HB2 GLU 17 -19.102 16.258 -2.404 118 HB3 GLU 17 HB3 GLU 17 -19.136 16.513 -0.664 119 HG2 GLU 17 HG2 GLU 17 -20.606 14.509 -2.334 120 HG3 GLU 17 HG3 GLU 17 -19.671 14.274 -0.883 121 H ASN 18 H ASN 18 -19.771 18.072 -3.935 122 HA ASN 18 HA ASN 18 -17.618 19.821 -3.339 123 HB2 ASN 18 HB2 ASN 18 -17.983 18.176 -5.300 124 HB3 ASN 18 HB3 ASN 18 -19.003 19.426 -6.019 125 HD21 ASN 18 HD21 ASN 18 -16.091 20.767 -7.457 126 HD22 ASN 18 HD22 ASN 18 -17.806 20.363 -7.645 127 H TYR 19 H TYR 19 -20.715 20.733 -2.973 128 HA TYR 19 HA TYR 19 -20.139 23.572 -3.711 129 HB2 TYR 19 HB2 TYR 19 -22.580 21.904 -4.243 130 HB3 TYR 19 HB3 TYR 19 -22.825 23.585 -3.795 131 HD1 TYR 19 HD1 TYR 19 -22.497 25.310 -5.316 132 HD2 TYR 19 HD2 TYR 19 -20.904 21.423 -6.176 133 HE1 TYR 19 HE1 TYR 19 -21.531 26.190 -7.471 134 HE2 TYR 19 HE2 TYR 19 -19.949 22.271 -8.318 135 HH TYR 19 HH TYR 19 -20.203 24.108 -9.875 136 H CYS 20 H CYS 20 -20.280 21.642 -1.100 137 HA CYS 20 HA CYS 20 -21.605 23.597 0.713 138 HB2 CYS 20 HB2 CYS 20 -22.255 21.263 0.814 139 HB3 CYS 20 HB3 CYS 20 -20.588 20.764 1.072 140 H ASN 21 H ASN 21 -20.418 23.915 2.873 141 HA ASN 21 HA ASN 21 -17.457 23.983 2.726 142 HB2 ASN 21 HB2 ASN 21 -19.293 26.262 3.632 143 HB3 ASN 21 HB3 ASN 21 -17.603 26.126 4.106 144 HD21 ASN 21 HD21 ASN 21 -17.009 26.507 0.299 145 HD22 ASN 21 HD22 ASN 21 -17.390 24.970 1.079 146 H1 PHE 1 H1 PHE 1 -29.996 8.436 -8.689 147 H2 PHE 1 H2 PHE 1 -28.415 8.957 -8.626 148 H3 PHE 1 H3 PHE 1 -29.643 10.030 -8.790 149 HA PHE 1 HA PHE 1 -29.325 8.293 -6.438 150 HB2 PHE 1 HB2 PHE 1 -27.467 9.679 -6.241 151 HB3 PHE 1 HB3 PHE 1 -28.276 11.008 -7.051 152 HD1 PHE 1 HD1 PHE 1 -28.756 9.053 -3.837 153 HD2 PHE 1 HD2 PHE 1 -28.741 12.891 -5.839 154 HE1 PHE 1 HE1 PHE 1 -29.222 10.194 -1.688 155 HE2 PHE 1 HE2 PHE 1 -29.229 14.006 -3.679 156 HZ PHE 1 HZ PHE 1 -29.440 12.668 -1.604 157 H VAL 2 H VAL 2 -30.566 11.617 -7.063 158 HA VAL 2 HA VAL 2 -33.215 10.970 -6.098 159 HB VAL 2 HB VAL 2 -32.050 13.238 -6.223 160 HG11 VAL 2 HG11 VAL 2 -32.182 14.533 -8.252 161 HG12 VAL 2 HG12 VAL 2 -31.318 13.051 -8.631 162 HG13 VAL 2 HG13 VAL 2 -33.016 13.235 -9.119 163 HG21 VAL 2 HG21 VAL 2 -34.466 12.848 -5.697 164 HG22 VAL 2 HG22 VAL 2 -34.114 14.414 -6.419 165 HG23 VAL 2 HG23 VAL 2 -34.820 13.134 -7.414 166 H ASN 3 H ASN 3 -35.153 11.005 -7.551 167 HA ASN 3 HA ASN 3 -34.756 8.955 -9.588 168 HB2 ASN 3 HB2 ASN 3 -37.314 10.178 -8.466 169 HB3 ASN 3 HB3 ASN 3 -37.190 8.693 -9.404 170 HD21 ASN 3 HD21 ASN 3 -36.959 6.774 -8.218 171 HD22 ASN 3 HD22 ASN 3 -36.562 6.792 -6.498 172 H GLN 4 H GLN 4 -35.761 12.356 -9.638 173 HA GLN 4 HA GLN 4 -36.523 12.099 -12.496 174 HB2 GLN 4 HB2 GLN 4 -38.141 13.718 -12.194 175 HB3 GLN 4 HB3 GLN 4 -38.286 12.685 -10.785 176 HG2 GLN 4 HG2 GLN 4 -37.001 15.464 -10.881 177 HG3 GLN 4 HG3 GLN 4 -38.586 15.074 -10.249 178 HE21 GLN 4 HE21 GLN 4 -36.052 15.278 -7.435 179 HE22 GLN 4 HE22 GLN 4 -36.348 16.369 -8.791 180 H HIS 5 H HIS 5 -35.866 13.397 -14.025 181 HA HIS 5 HA HIS 5 -33.405 14.921 -13.652 182 HB2 HIS 5 HB2 HIS 5 -34.665 14.572 -16.350 183 HB3 HIS 5 HB3 HIS 5 -32.988 14.389 -15.857 184 HD2 HIS 5 HD2 HIS 5 -35.980 12.455 -16.822 185 HE1 HIS 5 HE1 HIS 5 -33.906 9.700 -14.327 186 HE2 HIS 5 HE2 HIS 5 -35.830 9.967 -15.962 187 H LEU 6 H LEU 6 -35.973 16.183 -12.785 188 HA LEU 6 HA LEU 6 -36.421 18.289 -14.827 189 HB2 LEU 6 HB2 LEU 6 -38.270 16.710 -14.084 190 HB3 LEU 6 HB3 LEU 6 -38.227 17.496 -12.518 191 HG LEU 6 HG LEU 6 -40.073 18.212 -13.943 192 HD11 LEU 6 HD11 LEU 6 -38.260 20.619 -13.661 193 HD12 LEU 6 HD12 LEU 6 -40.016 20.544 -13.607 194 HD13 LEU 6 HD13 LEU 6 -39.073 19.838 -12.284 195 HD21 LEU 6 HD21 LEU 6 -38.964 18.000 -16.152 196 HD22 LEU 6 HD22 LEU 6 -39.810 19.541 -15.939 197 HD23 LEU 6 HD23 LEU 6 -38.043 19.484 -15.818 198 H CYS 7 H CYS 7 -35.832 20.280 -14.464 199 HA CYS 7 HA CYS 7 -34.158 21.069 -12.342 200 HB2 CYS 7 HB2 CYS 7 -34.470 21.873 -14.803 201 HB3 CYS 7 HB3 CYS 7 -35.734 22.906 -14.172 202 H GLY 8 H GLY 8 -34.612 21.778 -10.250 203 HA2 GLY 8 HA2 GLY 8 -36.725 23.624 -9.665 204 HA3 GLY 8 HA3 GLY 8 -37.226 21.987 -9.247 205 H SER 9 H SER 9 -37.182 23.862 -7.338 206 HA SER 9 HA SER 9 -34.815 24.088 -5.762 207 HB2 SER 9 HB2 SER 9 -36.809 25.515 -5.528 208 HB3 SER 9 HB3 SER 9 -37.713 24.141 -4.853 209 HG SER 9 HG SER 9 -36.550 24.197 -3.050 210 H HIS 10 H HIS 10 -37.042 21.409 -6.136 211 HA HIS 10 HA HIS 10 -36.670 19.822 -3.933 212 HB2 HIS 10 HB2 HIS 10 -36.491 18.791 -6.782 213 HB3 HIS 10 HB3 HIS 10 -37.186 17.986 -5.373 214 HD2 HIS 10 HD2 HIS 10 -39.645 18.741 -4.617 215 HE1 HIS 10 HE1 HIS 10 -40.454 21.457 -7.802 216 HE2 HIS 10 HE2 HIS 10 -41.454 20.240 -5.792 217 H LEU 11 H LEU 11 -34.182 20.535 -6.343 218 HA LEU 11 HA LEU 11 -32.370 18.554 -5.070 219 HB2 LEU 11 HB2 LEU 11 -31.866 20.122 -7.603 220 HB3 LEU 11 HB3 LEU 11 -30.873 18.863 -6.898 221 HG LEU 11 HG LEU 11 -31.889 17.670 -8.509 222 HD11 LEU 11 HD11 LEU 11 -34.018 17.256 -6.410 223 HD12 LEU 11 HD12 LEU 11 -33.591 16.198 -7.753 224 HD13 LEU 11 HD13 LEU 11 -32.416 16.483 -6.445 225 HD21 LEU 11 HD21 LEU 11 -33.308 19.479 -9.369 226 HD22 LEU 11 HD22 LEU 11 -34.109 17.905 -9.415 227 HD23 LEU 11 HD23 LEU 11 -34.542 19.085 -8.159 228 H VAL 12 H VAL 12 -33.015 21.916 -4.901 229 HA VAL 12 HA VAL 12 -30.482 22.549 -3.503 230 HB VAL 12 HB VAL 12 -33.076 24.036 -3.974 231 HG11 VAL 12 HG11 VAL 12 -32.648 24.507 -1.650 232 HG12 VAL 12 HG12 VAL 12 -30.917 24.765 -1.969 233 HG13 VAL 12 HG13 VAL 12 -32.138 25.901 -2.601 234 HG21 VAL 12 HG21 VAL 12 -31.264 24.111 -5.670 235 HG22 VAL 12 HG22 VAL 12 -31.525 25.690 -4.919 236 HG23 VAL 12 HG23 VAL 12 -30.132 24.699 -4.431 237 H GLU 13 H GLU 13 -33.841 21.575 -2.717 238 HA GLU 13 HA GLU 13 -33.393 21.165 0.079 239 HB2 GLU 13 HB2 GLU 13 -35.300 19.877 -1.883 240 HB3 GLU 13 HB3 GLU 13 -35.345 19.594 -0.143 241 HG2 GLU 13 HG2 GLU 13 -36.380 21.546 0.302 242 HG3 GLU 13 HG3 GLU 13 -35.257 22.469 -0.684 243 H ALA 14 H ALA 14 -32.771 18.937 -2.710 244 HA ALA 14 HA ALA 14 -31.706 16.847 -1.105 245 HB1 ALA 14 HB1 ALA 14 -30.759 17.574 -3.896 246 HB2 ALA 14 HB2 ALA 14 -30.680 16.004 -3.090 247 HB3 ALA 14 HB3 ALA 14 -32.260 16.672 -3.540 248 H LEU 15 H LEU 15 -30.032 19.834 -2.240 249 HA LEU 15 HA LEU 15 -27.481 19.064 -1.058 250 HB2 LEU 15 HB2 LEU 15 -28.649 21.766 -1.816 251 HB3 LEU 15 HB3 LEU 15 -27.018 21.538 -1.199 252 HG LEU 15 HG LEU 15 -27.852 20.049 -3.687 253 HD11 LEU 15 HD11 LEU 15 -26.934 21.937 -5.002 254 HD12 LEU 15 HD12 LEU 15 -28.405 22.390 -4.135 255 HD13 LEU 15 HD13 LEU 15 -26.818 22.911 -3.510 256 HD21 LEU 15 HD21 LEU 15 -25.672 19.544 -2.535 257 HD22 LEU 15 HD22 LEU 15 -25.462 20.214 -4.170 258 HD23 LEU 15 HD23 LEU 15 -25.192 21.228 -2.739 259 H TYR 16 H TYR 16 -30.367 20.834 0.222 260 HA TYR 16 HA TYR 16 -29.165 21.340 2.799 261 HB2 TYR 16 HB2 TYR 16 -32.064 21.145 1.942 262 HB3 TYR 16 HB3 TYR 16 -31.589 21.434 3.601 263 HD1 TYR 16 HD1 TYR 16 -29.589 23.370 3.778 264 HD2 TYR 16 HD2 TYR 16 -32.772 23.131 0.867 265 HE1 TYR 16 HE1 TYR 16 -29.403 25.805 3.367 266 HE2 TYR 16 HE2 TYR 16 -32.591 25.581 0.481 267 HH TYR 16 HH TYR 16 -30.110 27.547 2.103 268 H LEU 17 H LEU 17 -30.647 18.379 1.500 269 HA LEU 17 HA LEU 17 -30.548 16.996 4.067 270 HB2 LEU 17 HB2 LEU 17 -30.658 16.011 1.195 271 HB3 LEU 17 HB3 LEU 17 -30.733 14.945 2.589 272 HG LEU 17 HG LEU 17 -32.768 17.174 2.100 273 HD11 LEU 17 HD11 LEU 17 -32.938 14.207 1.427 274 HD12 LEU 17 HD12 LEU 17 -34.262 15.392 1.298 275 HD13 LEU 17 HD13 LEU 17 -32.844 15.542 0.255 276 HD21 LEU 17 HD21 LEU 17 -34.151 15.867 3.668 277 HD22 LEU 17 HD22 LEU 17 -32.815 14.716 3.898 278 HD23 LEU 17 HD23 LEU 17 -32.654 16.402 4.440 279 H VAL 18 H VAL 18 -28.117 17.663 1.610 280 HA VAL 18 HA VAL 18 -26.176 15.747 2.694 281 HB VAL 18 HB VAL 18 -26.066 17.927 0.600 282 HG11 VAL 18 HG11 VAL 18 -23.736 16.240 1.563 283 HG12 VAL 18 HG12 VAL 18 -23.766 17.159 0.052 284 HG13 VAL 18 HG13 VAL 18 -23.846 18.016 1.592 285 HG21 VAL 18 HG21 VAL 18 -25.600 14.922 0.474 286 HG22 VAL 18 HG22 VAL 18 -27.128 15.730 0.045 287 HG23 VAL 18 HG23 VAL 18 -25.660 16.038 -0.897 288 H CYS 19 H CYS 19 -26.630 19.282 2.980 289 HA CYS 19 HA CYS 19 -24.543 19.248 5.144 290 HB2 CYS 19 HB2 CYS 19 -24.782 20.820 2.631 291 HB3 CYS 19 HB3 CYS 19 -24.265 21.706 4.058 292 H GLY 20 H GLY 20 -27.812 20.248 4.683 293 HA2 GLY 20 HA2 GLY 20 -29.214 21.542 5.986 294 HA3 GLY 20 HA3 GLY 20 -28.288 20.786 7.275 295 H GLU 21 H GLU 21 -27.383 22.074 8.674 296 HA GLU 21 HA GLU 21 -27.652 24.862 8.876 297 HB2 GLU 21 HB2 GLU 21 -27.404 23.230 10.690 298 HB3 GLU 21 HB3 GLU 21 -25.748 22.885 10.184 299 HG2 GLU 21 HG2 GLU 21 -25.041 25.148 10.820 300 HG3 GLU 21 HG3 GLU 21 -26.718 25.586 11.198 301 H ARG 22 H ARG 22 -24.994 23.026 7.419 302 HA ARG 22 HA ARG 22 -23.014 25.160 7.445 303 HB2 ARG 22 HB2 ARG 22 -23.308 22.644 5.755 304 HB3 ARG 22 HB3 ARG 22 -21.899 23.690 5.708 305 HG2 ARG 22 HG2 ARG 22 -21.287 23.163 7.972 306 HG3 ARG 22 HG3 ARG 22 -22.851 22.405 8.294 307 HD2 ARG 22 HD2 ARG 22 -21.310 20.631 8.035 308 HD3 ARG 22 HD3 ARG 22 -22.335 20.649 6.590 309 HE ARG 22 HE ARG 22 -19.941 22.200 6.124 310 HH11 ARG 22 HH11 ARG 22 -21.135 18.903 5.956 311 HH12 ARG 22 HH12 ARG 22 -19.746 18.358 5.059 312 HH21 ARG 22 HH21 ARG 22 -18.203 21.433 5.061 313 HH22 ARG 22 HH22 ARG 22 -18.198 19.807 4.432 314 H GLY 23 H GLY 23 -25.801 24.700 5.459 315 HA2 GLY 23 HA2 GLY 23 -26.538 25.763 3.534 316 HA3 GLY 23 HA3 GLY 23 -25.396 27.059 3.924 317 H PHE 24 H PHE 24 -24.728 27.428 1.772 318 HA PHE 24 HA PHE 24 -23.132 25.300 0.447 319 HB2 PHE 24 HB2 PHE 24 -24.966 27.040 -1.158 320 HB3 PHE 24 HB3 PHE 24 -24.227 25.514 -1.621 321 HD1 PHE 24 HD1 PHE 24 -25.140 23.570 0.348 322 HD2 PHE 24 HD2 PHE 24 -27.249 26.957 -1.295 323 HE1 PHE 24 HE1 PHE 24 -27.298 22.539 0.968 324 HE2 PHE 24 HE2 PHE 24 -29.407 25.860 -0.771 325 HZ PHE 24 HZ PHE 24 -29.441 23.631 0.313 326 H PHE 25 H PHE 25 -21.356 26.090 -0.735 327 HA PHE 25 HA PHE 25 -20.693 28.922 -0.415 328 HB2 PHE 25 HB2 PHE 25 -18.933 27.232 -0.470 329 HB3 PHE 25 HB3 PHE 25 -19.323 26.837 -2.142 330 HD1 PHE 25 HD1 PHE 25 -18.388 28.180 -3.926 331 HD2 PHE 25 HD2 PHE 25 -18.297 29.657 0.124 332 HE1 PHE 25 HE1 PHE 25 -17.091 30.178 -4.671 333 HE2 PHE 25 HE2 PHE 25 -17.026 31.654 -0.638 334 HZ PHE 25 HZ PHE 25 -16.439 31.919 -3.032 335 H TYR 26 H TYR 26 -21.747 26.890 -3.154 336 HA TYR 26 HA TYR 26 -22.288 27.364 -5.304 337 HB2 TYR 26 HB2 TYR 26 -23.988 29.102 -3.680 338 HB3 TYR 26 HB3 TYR 26 -23.805 29.677 -5.329 339 HD1 TYR 26 HD1 TYR 26 -24.157 28.062 -7.283 340 HD2 TYR 26 HD2 TYR 26 -25.421 27.233 -3.249 341 HE1 TYR 26 HE1 TYR 26 -25.591 26.175 -8.104 342 HE2 TYR 26 HE2 TYR 26 -26.823 25.352 -4.063 343 HH TYR 26 HH TYR 26 -27.427 24.115 -5.863 344 H THR 27 H THR 27 -20.445 27.583 -6.368 345 HA THR 27 HA THR 27 -19.070 30.090 -6.673 346 HB THR 27 HB THR 27 -17.825 28.932 -8.466 347 HG1 THR 27 HG1 THR 27 -18.515 26.633 -8.663 348 HG21 THR 27 HG21 THR 27 -18.308 26.958 -6.186 349 HG22 THR 27 HG22 THR 27 -16.911 27.024 -7.273 350 HG23 THR 27 HG23 THR 27 -17.176 28.331 -6.116 351 HA PRO 28 HA PRO 28 -17.998 31.375 -7.982 352 HB2 PRO 28 HB2 PRO 28 -17.778 33.616 -9.423 353 HB3 PRO 28 HB3 PRO 28 -17.488 32.006 -10.144 354 HG2 PRO 28 HG2 PRO 28 -19.973 33.727 -10.355 355 HG3 PRO 28 HG3 PRO 28 -19.141 32.805 -11.642 356 HD2 PRO 28 HD2 PRO 28 -21.366 31.903 -10.193 357 HD3 PRO 28 HD3 PRO 28 -20.201 30.833 -11.024 358 H LYS 29 H LYS 29 -17.955 32.409 -6.100 359 HA LYS 29 HA LYS 29 -19.150 35.046 -5.790 360 HB2 LYS 29 HB2 LYS 29 -19.859 32.810 -3.864 361 HB3 LYS 29 HB3 LYS 29 -19.831 34.503 -3.359 362 HG2 LYS 29 HG2 LYS 29 -21.408 35.101 -5.193 363 HG3 LYS 29 HG3 LYS 29 -21.586 33.380 -5.572 364 HD2 LYS 29 HD2 LYS 29 -22.206 34.605 -2.856 365 HD3 LYS 29 HD3 LYS 29 -23.407 34.322 -4.128 366 HE2 LYS 29 HE2 LYS 29 -23.559 32.115 -3.675 367 HE3 LYS 29 HE3 LYS 29 -21.819 31.934 -3.791 368 HZ1 LYS 29 HZ1 LYS 29 -22.333 31.308 -1.680 369 HZ2 LYS 29 HZ2 LYS 29 -21.683 32.781 -1.479 370 HZ3 LYS 29 HZ3 LYS 29 -23.330 32.591 -1.345 371 H ALA 30 H ALA 30 -16.670 34.029 -6.405 372 HA ALA 30 HA ALA 30 -14.894 35.659 -5.013 373 HB1 ALA 30 HB1 ALA 30 -13.288 33.892 -4.319 374 HB2 ALA 30 HB2 ALA 30 -14.783 33.786 -3.362 375 HB3 ALA 30 HB3 ALA 30 -14.483 32.636 -4.698 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -22.413 25.583 -12.148 2 H2 GLY 1 H2 GLY 1 -22.752 27.188 -11.972 3 H3 GLY 1 H3 GLY 1 -23.796 26.161 -12.764 4 HA2 GLY 1 HA2 GLY 1 -23.140 25.996 -9.881 5 HA3 GLY 1 HA3 GLY 1 -24.626 26.697 -10.567 6 H ILE 2 H ILE 2 -22.874 23.717 -9.971 7 HA ILE 2 HA ILE 2 -23.689 22.274 -12.090 8 HB ILE 2 HB ILE 2 -21.844 21.951 -10.416 9 HG12 ILE 2 HG12 ILE 2 -23.111 19.344 -11.300 10 HG13 ILE 2 HG13 ILE 2 -22.315 20.484 -12.396 11 HG21 ILE 2 HG21 ILE 2 -23.848 20.115 -9.026 12 HG22 ILE 2 HG22 ILE 2 -22.150 20.400 -8.590 13 HG23 ILE 2 HG23 ILE 2 -23.340 21.688 -8.403 14 HD11 ILE 2 HD11 ILE 2 -20.773 18.716 -11.766 15 HD12 ILE 2 HD12 ILE 2 -20.205 20.278 -11.147 16 HD13 ILE 2 HD13 ILE 2 -20.961 19.102 -10.045 17 H VAL 3 H VAL 3 -25.993 22.978 -9.824 18 HA VAL 3 HA VAL 3 -27.716 20.667 -9.907 19 HB VAL 3 HB VAL 3 -27.977 22.631 -8.379 20 HG11 VAL 3 HG11 VAL 3 -29.252 24.599 -9.120 21 HG12 VAL 3 HG12 VAL 3 -27.684 24.526 -9.923 22 HG13 VAL 3 HG13 VAL 3 -29.152 24.057 -10.805 23 HG21 VAL 3 HG21 VAL 3 -30.395 22.571 -8.363 24 HG22 VAL 3 HG22 VAL 3 -30.438 21.999 -10.041 25 HG23 VAL 3 HG23 VAL 3 -29.753 20.970 -8.768 26 H GLU 4 H GLU 4 -26.795 23.048 -12.331 27 HA GLU 4 HA GLU 4 -28.741 22.575 -14.318 28 HB2 GLU 4 HB2 GLU 4 -26.971 23.144 -15.919 29 HB3 GLU 4 HB3 GLU 4 -27.091 24.269 -14.582 30 HG2 GLU 4 HG2 GLU 4 -25.101 22.280 -13.910 31 HG3 GLU 4 HG3 GLU 4 -24.803 22.779 -15.560 32 H GLN 5 H GLN 5 -26.126 20.337 -13.294 33 HA GLN 5 HA GLN 5 -26.615 18.429 -15.430 34 HB2 GLN 5 HB2 GLN 5 -25.369 17.931 -12.699 35 HB3 GLN 5 HB3 GLN 5 -25.212 16.921 -14.129 36 HG2 GLN 5 HG2 GLN 5 -24.059 19.710 -13.715 37 HG3 GLN 5 HG3 GLN 5 -23.176 18.189 -13.776 38 HE21 GLN 5 HE21 GLN 5 -24.016 18.213 -17.495 39 HE22 GLN 5 HE22 GLN 5 -24.614 17.147 -16.217 40 H CYS 6 H CYS 6 -28.288 19.120 -12.473 41 HA CYS 6 HA CYS 6 -29.803 16.564 -12.489 42 HB2 CYS 6 HB2 CYS 6 -30.067 19.024 -10.743 43 HB3 CYS 6 HB3 CYS 6 -30.871 17.476 -10.503 44 H CYS 7 H CYS 7 -29.892 19.506 -14.120 45 HA CYS 7 HA CYS 7 -32.829 19.448 -14.560 46 HB2 CYS 7 HB2 CYS 7 -30.693 21.526 -15.172 47 HB3 CYS 7 HB3 CYS 7 -32.410 21.717 -15.498 48 H ALA 8 H ALA 8 -30.277 17.926 -15.822 49 HA ALA 8 HA ALA 8 -31.651 17.447 -18.381 50 HB1 ALA 8 HB1 ALA 8 -29.572 17.754 -19.675 51 HB2 ALA 8 HB2 ALA 8 -30.033 19.251 -18.848 52 HB3 ALA 8 HB3 ALA 8 -28.715 18.250 -18.194 53 H SER 9 H SER 9 -30.411 15.983 -15.665 54 HA SER 9 HA SER 9 -30.407 13.365 -16.905 55 HB2 SER 9 HB2 SER 9 -27.783 14.647 -16.098 56 HB3 SER 9 HB3 SER 9 -28.016 12.899 -15.908 57 HG SER 9 HG SER 9 -28.625 14.210 -18.335 58 H VAL 10 H VAL 10 -30.254 11.643 -15.322 59 HA VAL 10 HA VAL 10 -31.513 12.299 -12.781 60 HB VAL 10 HB VAL 10 -30.597 9.592 -13.831 61 HG11 VAL 10 HG11 VAL 10 -32.625 10.366 -11.686 62 HG12 VAL 10 HG12 VAL 10 -32.382 8.726 -12.308 63 HG13 VAL 10 HG13 VAL 10 -31.086 9.522 -11.408 64 HG21 VAL 10 HG21 VAL 10 -32.218 10.603 -15.402 65 HG22 VAL 10 HG22 VAL 10 -32.989 9.313 -14.485 66 HG23 VAL 10 HG23 VAL 10 -33.298 11.000 -14.048 67 H CYS 11 H CYS 11 -29.678 13.701 -12.267 68 HA CYS 11 HA CYS 11 -27.058 12.999 -12.002 69 HB2 CYS 11 HB2 CYS 11 -26.817 15.135 -10.966 70 HB3 CYS 11 HB3 CYS 11 -28.187 15.249 -12.038 71 H SER 12 H SER 12 -25.575 13.039 -10.038 72 HA SER 12 HA SER 12 -26.694 11.506 -7.744 73 HB2 SER 12 HB2 SER 12 -24.362 10.745 -9.477 74 HB3 SER 12 HB3 SER 12 -24.487 10.195 -7.789 75 HG SER 12 HG SER 12 -26.092 9.531 -9.971 76 H LEU 13 H LEU 13 -25.186 11.209 -5.931 77 HA LEU 13 HA LEU 13 -25.577 13.578 -4.638 78 HB2 LEU 13 HB2 LEU 13 -23.827 11.243 -3.715 79 HB3 LEU 13 HB3 LEU 13 -24.410 12.557 -2.708 80 HG LEU 13 HG LEU 13 -26.795 11.816 -3.457 81 HD11 LEU 13 HD11 LEU 13 -26.940 9.328 -3.720 82 HD12 LEU 13 HD12 LEU 13 -26.191 10.086 -5.117 83 HD13 LEU 13 HD13 LEU 13 -25.184 9.259 -3.906 84 HD21 LEU 13 HD21 LEU 13 -26.893 10.269 -1.535 85 HD22 LEU 13 HD22 LEU 13 -25.117 10.172 -1.522 86 HD23 LEU 13 HD23 LEU 13 -25.936 11.706 -1.160 87 H TYR 14 H TYR 14 -22.309 12.421 -5.605 88 HA TYR 14 HA TYR 14 -20.802 14.090 -4.009 89 HB2 TYR 14 HB2 TYR 14 -20.019 13.350 -6.841 90 HB3 TYR 14 HB3 TYR 14 -18.975 13.531 -5.436 91 HD1 TYR 14 HD1 TYR 14 -19.430 11.882 -3.428 92 HD2 TYR 14 HD2 TYR 14 -20.799 11.200 -7.469 93 HE1 TYR 14 HE1 TYR 14 -19.766 9.473 -2.909 94 HE2 TYR 14 HE2 TYR 14 -21.144 8.786 -6.931 95 HH TYR 14 HH TYR 14 -20.315 7.400 -3.776 96 H GLN 15 H GLN 15 -22.515 15.031 -6.893 97 HA GLN 15 HA GLN 15 -21.118 17.517 -7.451 98 HB2 GLN 15 HB2 GLN 15 -23.928 16.560 -8.089 99 HB3 GLN 15 HB3 GLN 15 -23.173 17.983 -8.799 100 HG2 GLN 15 HG2 GLN 15 -21.546 16.701 -9.998 101 HG3 GLN 15 HG3 GLN 15 -21.925 15.220 -9.105 102 HE21 GLN 15 HE21 GLN 15 -25.088 14.943 -10.928 103 HE22 GLN 15 HE22 GLN 15 -24.540 14.753 -9.226 104 H LEU 16 H LEU 16 -23.389 16.615 -4.963 105 HA LEU 16 HA LEU 16 -24.151 19.429 -4.397 106 HB2 LEU 16 HB2 LEU 16 -24.888 16.870 -2.929 107 HB3 LEU 16 HB3 LEU 16 -25.589 18.457 -2.687 108 HG LEU 16 HG LEU 16 -25.869 16.727 -5.182 109 HD11 LEU 16 HD11 LEU 16 -28.200 16.531 -4.553 110 HD12 LEU 16 HD12 LEU 16 -27.172 15.988 -3.209 111 HD13 LEU 16 HD13 LEU 16 -27.947 17.586 -3.139 112 HD21 LEU 16 HD21 LEU 16 -27.125 19.446 -4.610 113 HD22 LEU 16 HD22 LEU 16 -25.881 19.110 -5.832 114 HD23 LEU 16 HD23 LEU 16 -27.485 18.397 -5.996 115 H GLU 17 H GLU 17 -22.218 16.761 -2.965 116 HA GLU 17 HA GLU 17 -21.188 18.194 -0.705 117 HB2 GLU 17 HB2 GLU 17 -20.017 16.025 -2.490 118 HB3 GLU 17 HB3 GLU 17 -19.177 16.629 -1.069 119 HG2 GLU 17 HG2 GLU 17 -21.984 15.441 -0.974 120 HG3 GLU 17 HG3 GLU 17 -20.510 14.502 -0.783 121 H ASN 18 H ASN 18 -19.974 17.989 -4.067 122 HA ASN 18 HA ASN 18 -17.834 19.823 -3.719 123 HB2 ASN 18 HB2 ASN 18 -18.457 18.073 -5.597 124 HB3 ASN 18 HB3 ASN 18 -19.261 19.435 -6.366 125 HD21 ASN 18 HD21 ASN 18 -16.032 21.020 -6.968 126 HD22 ASN 18 HD22 ASN 18 -17.639 21.486 -6.376 127 H TYR 19 H TYR 19 -20.888 20.763 -3.085 128 HA TYR 19 HA TYR 19 -20.373 23.570 -3.938 129 HB2 TYR 19 HB2 TYR 19 -22.763 21.902 -4.630 130 HB3 TYR 19 HB3 TYR 19 -23.070 23.545 -4.110 131 HD1 TYR 19 HD1 TYR 19 -22.928 25.312 -5.598 132 HD2 TYR 19 HD2 TYR 19 -20.969 21.622 -6.579 133 HE1 TYR 19 HE1 TYR 19 -22.290 26.253 -7.829 134 HE2 TYR 19 HE2 TYR 19 -20.284 22.557 -8.775 135 HH TYR 19 HH TYR 19 -20.016 24.793 -9.888 136 H CYS 20 H CYS 20 -21.405 21.421 -1.410 137 HA CYS 20 HA CYS 20 -22.434 23.504 0.353 138 HB2 CYS 20 HB2 CYS 20 -22.975 21.058 0.606 139 HB3 CYS 20 HB3 CYS 20 -21.285 20.785 1.049 140 H ASN 21 H ASN 21 -21.259 24.544 2.095 141 HA ASN 21 HA ASN 21 -18.408 24.940 1.402 142 HB2 ASN 21 HB2 ASN 21 -20.042 26.895 1.794 143 HB3 ASN 21 HB3 ASN 21 -19.989 26.454 3.504 144 HD21 ASN 21 HD21 ASN 21 -16.202 27.198 2.975 145 HD22 ASN 21 HD22 ASN 21 -17.013 25.624 3.061 146 H1 PHE 1 H1 PHE 1 -29.351 9.506 -8.573 147 H2 PHE 1 H2 PHE 1 -29.965 10.995 -8.851 148 H3 PHE 1 H3 PHE 1 -30.993 9.733 -8.679 149 HA PHE 1 HA PHE 1 -30.223 9.419 -6.387 150 HB2 PHE 1 HB2 PHE 1 -28.120 10.520 -6.363 151 HB3 PHE 1 HB3 PHE 1 -28.821 12.038 -6.941 152 HD1 PHE 1 HD1 PHE 1 -29.635 9.690 -4.072 153 HD2 PHE 1 HD2 PHE 1 -28.802 13.731 -5.385 154 HE1 PHE 1 HE1 PHE 1 -29.969 10.521 -1.766 155 HE2 PHE 1 HE2 PHE 1 -29.123 14.530 -3.059 156 HZ PHE 1 HZ PHE 1 -29.709 12.936 -1.256 157 H VAL 2 H VAL 2 -30.948 12.893 -7.247 158 HA VAL 2 HA VAL 2 -33.733 12.515 -6.476 159 HB VAL 2 HB VAL 2 -32.465 14.746 -6.914 160 HG11 VAL 2 HG11 VAL 2 -31.734 14.212 -9.255 161 HG12 VAL 2 HG12 VAL 2 -33.438 14.218 -9.756 162 HG13 VAL 2 HG13 VAL 2 -32.701 15.689 -9.144 163 HG21 VAL 2 HG21 VAL 2 -34.819 14.605 -6.298 164 HG22 VAL 2 HG22 VAL 2 -34.568 15.860 -7.517 165 HG23 VAL 2 HG23 VAL 2 -35.266 14.295 -7.982 166 H ASN 3 H ASN 3 -35.454 11.959 -7.919 167 HA ASN 3 HA ASN 3 -34.797 9.574 -9.276 168 HB2 ASN 3 HB2 ASN 3 -37.416 11.144 -9.210 169 HB3 ASN 3 HB3 ASN 3 -37.242 9.447 -9.644 170 HD21 ASN 3 HD21 ASN 3 -37.917 8.118 -7.987 171 HD22 ASN 3 HD22 ASN 3 -37.669 8.525 -6.288 172 H GLN 4 H GLN 4 -35.186 12.759 -10.592 173 HA GLN 4 HA GLN 4 -35.460 11.711 -13.364 174 HB2 GLN 4 HB2 GLN 4 -37.377 13.006 -13.714 175 HB3 GLN 4 HB3 GLN 4 -37.643 12.213 -12.170 176 HG2 GLN 4 HG2 GLN 4 -36.925 15.117 -12.678 177 HG3 GLN 4 HG3 GLN 4 -38.433 14.501 -12.042 178 HE21 GLN 4 HE21 GLN 4 -35.914 15.853 -9.422 179 HE22 GLN 4 HE22 GLN 4 -36.106 16.411 -11.082 180 H HIS 5 H HIS 5 -34.981 13.103 -15.040 181 HA HIS 5 HA HIS 5 -32.845 15.054 -14.666 182 HB2 HIS 5 HB2 HIS 5 -33.069 15.090 -17.207 183 HB3 HIS 5 HB3 HIS 5 -32.759 13.503 -16.513 184 HD2 HIS 5 HD2 HIS 5 -35.166 15.240 -18.793 185 HE1 HIS 5 HE1 HIS 5 -37.056 11.549 -17.773 186 HE2 HIS 5 HE2 HIS 5 -37.130 13.567 -19.333 187 H LEU 6 H LEU 6 -36.115 15.410 -14.282 188 HA LEU 6 HA LEU 6 -36.373 18.045 -15.539 189 HB2 LEU 6 HB2 LEU 6 -38.221 16.407 -15.519 190 HB3 LEU 6 HB3 LEU 6 -38.314 16.503 -13.772 191 HG LEU 6 HG LEU 6 -40.064 17.715 -15.049 192 HD11 LEU 6 HD11 LEU 6 -39.526 18.293 -12.684 193 HD12 LEU 6 HD12 LEU 6 -38.503 19.614 -13.278 194 HD13 LEU 6 HD13 LEU 6 -40.226 19.618 -13.628 195 HD21 LEU 6 HD21 LEU 6 -38.627 18.630 -16.858 196 HD22 LEU 6 HD22 LEU 6 -39.649 19.849 -16.077 197 HD23 LEU 6 HD23 LEU 6 -37.923 19.777 -15.692 198 H CYS 7 H CYS 7 -36.024 19.878 -14.631 199 HA CYS 7 HA CYS 7 -34.300 20.115 -12.415 200 HB2 CYS 7 HB2 CYS 7 -34.503 21.326 -14.676 201 HB3 CYS 7 HB3 CYS 7 -35.798 22.262 -13.951 202 H GLY 8 H GLY 8 -34.535 20.992 -10.314 203 HA2 GLY 8 HA2 GLY 8 -36.640 22.791 -9.609 204 HA3 GLY 8 HA3 GLY 8 -37.033 21.181 -9.013 205 H SER 9 H SER 9 -36.738 23.390 -7.348 206 HA SER 9 HA SER 9 -34.265 23.703 -6.036 207 HB2 SER 9 HB2 SER 9 -37.048 23.881 -4.816 208 HB3 SER 9 HB3 SER 9 -35.560 24.620 -4.187 209 HG SER 9 HG SER 9 -36.751 26.115 -5.396 210 H HIS 10 H HIS 10 -36.155 20.867 -6.023 211 HA HIS 10 HA HIS 10 -35.831 19.795 -3.464 212 HB2 HIS 10 HB2 HIS 10 -35.620 18.226 -6.040 213 HB3 HIS 10 HB3 HIS 10 -36.299 17.713 -4.491 214 HD2 HIS 10 HD2 HIS 10 -38.671 19.020 -3.768 215 HE1 HIS 10 HE1 HIS 10 -39.613 20.433 -7.680 216 HE2 HIS 10 HE2 HIS 10 -40.504 20.101 -5.300 217 H LEU 11 H LEU 11 -33.360 20.291 -5.918 218 HA LEU 11 HA LEU 11 -31.398 18.553 -4.613 219 HB2 LEU 11 HB2 LEU 11 -31.187 20.672 -6.778 220 HB3 LEU 11 HB3 LEU 11 -29.796 19.809 -6.141 221 HG LEU 11 HG LEU 11 -30.366 18.809 -8.169 222 HD11 LEU 11 HD11 LEU 11 -31.419 16.915 -6.040 223 HD12 LEU 11 HD12 LEU 11 -30.709 16.487 -7.604 224 HD13 LEU 11 HD13 LEU 11 -29.699 17.248 -6.360 225 HD21 LEU 11 HD21 LEU 11 -32.737 19.528 -8.318 226 HD22 LEU 11 HD22 LEU 11 -32.451 17.870 -8.824 227 HD23 LEU 11 HD23 LEU 11 -33.179 18.183 -7.240 228 H VAL 12 H VAL 12 -32.405 21.860 -4.157 229 HA VAL 12 HA VAL 12 -30.125 22.537 -2.390 230 HB VAL 12 HB VAL 12 -32.628 24.048 -3.171 231 HG11 VAL 12 HG11 VAL 12 -32.265 24.582 -0.818 232 HG12 VAL 12 HG12 VAL 12 -30.526 24.814 -1.104 233 HG13 VAL 12 HG13 VAL 12 -31.715 25.933 -1.811 234 HG21 VAL 12 HG21 VAL 12 -30.698 24.019 -4.768 235 HG22 VAL 12 HG22 VAL 12 -30.995 25.628 -4.094 236 HG23 VAL 12 HG23 VAL 12 -29.650 24.644 -3.478 237 H GLU 13 H GLU 13 -33.577 21.532 -2.114 238 HA GLU 13 HA GLU 13 -33.578 21.276 0.738 239 HB2 GLU 13 HB2 GLU 13 -34.949 19.597 -1.372 240 HB3 GLU 13 HB3 GLU 13 -35.341 19.559 0.350 241 HG2 GLU 13 HG2 GLU 13 -36.262 21.737 0.334 242 HG3 GLU 13 HG3 GLU 13 -35.464 22.188 -1.165 243 H ALA 14 H ALA 14 -32.571 18.898 -1.784 244 HA ALA 14 HA ALA 14 -31.563 16.940 -0.024 245 HB1 ALA 14 HB1 ALA 14 -30.546 17.609 -2.803 246 HB2 ALA 14 HB2 ALA 14 -30.359 16.077 -1.929 247 HB3 ALA 14 HB3 ALA 14 -31.975 16.602 -2.445 248 H LEU 15 H LEU 15 -29.863 19.873 -1.255 249 HA LEU 15 HA LEU 15 -27.316 19.264 -0.078 250 HB2 LEU 15 HB2 LEU 15 -28.745 21.792 -0.912 251 HB3 LEU 15 HB3 LEU 15 -27.274 21.920 0.005 252 HG LEU 15 HG LEU 15 -27.256 20.163 -2.435 253 HD11 LEU 15 HD11 LEU 15 -26.488 22.114 -3.763 254 HD12 LEU 15 HD12 LEU 15 -28.189 22.249 -3.295 255 HD13 LEU 15 HD13 LEU 15 -26.959 23.191 -2.415 256 HD21 LEU 15 HD21 LEU 15 -25.285 20.236 -0.909 257 HD22 LEU 15 HD22 LEU 15 -24.906 20.957 -2.484 258 HD23 LEU 15 HD23 LEU 15 -25.210 21.999 -1.086 259 H TYR 16 H TYR 16 -30.216 20.833 1.388 260 HA TYR 16 HA TYR 16 -28.954 21.164 3.992 261 HB2 TYR 16 HB2 TYR 16 -31.862 21.066 3.128 262 HB3 TYR 16 HB3 TYR 16 -31.369 21.221 4.803 263 HD1 TYR 16 HD1 TYR 16 -29.675 23.131 5.399 264 HD2 TYR 16 HD2 TYR 16 -32.175 23.064 1.877 265 HE1 TYR 16 HE1 TYR 16 -29.427 25.592 5.180 266 HE2 TYR 16 HE2 TYR 16 -31.965 25.540 1.687 267 HH TYR 16 HH TYR 16 -29.957 27.439 3.940 268 H LEU 17 H LEU 17 -30.848 18.465 2.548 269 HA LEU 17 HA LEU 17 -30.803 16.878 4.955 270 HB2 LEU 17 HB2 LEU 17 -31.115 16.152 2.022 271 HB3 LEU 17 HB3 LEU 17 -31.331 14.996 3.329 272 HG LEU 17 HG LEU 17 -32.986 17.556 3.145 273 HD11 LEU 17 HD11 LEU 17 -33.630 14.768 2.109 274 HD12 LEU 17 HD12 LEU 17 -34.775 16.127 2.215 275 HD13 LEU 17 HD13 LEU 17 -33.391 16.231 1.127 276 HD21 LEU 17 HD21 LEU 17 -34.524 16.303 4.608 277 HD22 LEU 17 HD22 LEU 17 -33.387 14.936 4.650 278 HD23 LEU 17 HD23 LEU 17 -32.943 16.500 5.370 279 H VAL 18 H VAL 18 -28.432 17.153 2.323 280 HA VAL 18 HA VAL 18 -26.763 14.971 3.377 281 HB VAL 18 HB VAL 18 -26.387 17.049 1.188 282 HG11 VAL 18 HG11 VAL 18 -24.432 14.845 1.991 283 HG12 VAL 18 HG12 VAL 18 -24.359 15.779 0.487 284 HG13 VAL 18 HG13 VAL 18 -24.119 16.584 2.031 285 HG21 VAL 18 HG21 VAL 18 -26.665 14.004 1.136 286 HG22 VAL 18 HG22 VAL 18 -27.959 15.152 0.744 287 HG23 VAL 18 HG23 VAL 18 -26.517 15.069 -0.278 288 H CYS 19 H CYS 19 -26.682 18.527 3.529 289 HA CYS 19 HA CYS 19 -24.170 18.327 5.131 290 HB2 CYS 19 HB2 CYS 19 -24.291 18.975 2.623 291 HB3 CYS 19 HB3 CYS 19 -24.920 20.516 3.206 292 H GLY 20 H GLY 20 -27.328 19.705 5.250 293 HA2 GLY 20 HA2 GLY 20 -28.407 20.990 6.796 294 HA3 GLY 20 HA3 GLY 20 -27.222 20.324 7.907 295 H GLU 21 H GLU 21 -26.141 21.743 9.035 296 HA GLU 21 HA GLU 21 -26.742 24.499 9.028 297 HB2 GLU 21 HB2 GLU 21 -26.272 23.023 10.938 298 HB3 GLU 21 HB3 GLU 21 -24.585 22.877 10.434 299 HG2 GLU 21 HG2 GLU 21 -24.180 25.228 10.929 300 HG3 GLU 21 HG3 GLU 21 -25.910 25.503 11.209 301 H ARG 22 H ARG 22 -24.076 22.859 7.473 302 HA ARG 22 HA ARG 22 -22.035 24.820 7.519 303 HB2 ARG 22 HB2 ARG 22 -22.780 22.510 5.697 304 HB3 ARG 22 HB3 ARG 22 -21.458 23.572 5.239 305 HG2 ARG 22 HG2 ARG 22 -20.259 23.097 7.319 306 HG3 ARG 22 HG3 ARG 22 -21.618 22.138 7.914 307 HD2 ARG 22 HD2 ARG 22 -19.878 20.652 7.163 308 HD3 ARG 22 HD3 ARG 22 -21.282 20.495 6.110 309 HE ARG 22 HE ARG 22 -19.367 22.418 5.056 310 HH11 ARG 22 HH11 ARG 22 -20.151 19.007 4.944 311 HH12 ARG 22 HH12 ARG 22 -19.268 18.769 3.472 312 HH21 ARG 22 HH21 ARG 22 -18.057 22.007 3.377 313 HH22 ARG 22 HH22 ARG 22 -18.087 20.439 2.598 314 H GLY 23 H GLY 23 -24.856 24.819 5.424 315 HA2 GLY 23 HA2 GLY 23 -25.553 26.415 3.848 316 HA3 GLY 23 HA3 GLY 23 -24.192 27.439 4.311 317 H PHE 24 H PHE 24 -24.626 27.564 1.711 318 HA PHE 24 HA PHE 24 -22.801 25.625 0.357 319 HB2 PHE 24 HB2 PHE 24 -25.240 26.585 -1.065 320 HB3 PHE 24 HB3 PHE 24 -24.330 25.102 -1.284 321 HD1 PHE 24 HD1 PHE 24 -24.431 23.606 1.153 322 HD2 PHE 24 HD2 PHE 24 -27.427 26.296 -0.398 323 HE1 PHE 24 HE1 PHE 24 -26.120 22.575 2.636 324 HE2 PHE 24 HE2 PHE 24 -29.135 25.199 1.024 325 HZ PHE 24 HZ PHE 24 -28.475 23.363 2.562 326 H PHE 25 H PHE 25 -21.341 26.468 -1.018 327 HA PHE 25 HA PHE 25 -21.053 29.364 -0.913 328 HB2 PHE 25 HB2 PHE 25 -19.193 27.763 -0.534 329 HB3 PHE 25 HB3 PHE 25 -19.281 27.268 -2.221 330 HD1 PHE 25 HD1 PHE 25 -18.617 28.868 -4.037 331 HD2 PHE 25 HD2 PHE 25 -18.205 29.881 0.134 332 HE1 PHE 25 HE1 PHE 25 -17.125 30.767 -4.643 333 HE2 PHE 25 HE2 PHE 25 -16.710 31.775 -0.486 334 HZ PHE 25 HZ PHE 25 -16.163 32.199 -2.872 335 H TYR 26 H TYR 26 -21.770 27.084 -3.535 336 HA TYR 26 HA TYR 26 -22.221 27.372 -5.752 337 HB2 TYR 26 HB2 TYR 26 -23.960 29.248 -4.256 338 HB3 TYR 26 HB3 TYR 26 -23.932 29.431 -5.999 339 HD1 TYR 26 HD1 TYR 26 -24.909 27.854 -7.480 340 HD2 TYR 26 HD2 TYR 26 -24.504 26.929 -3.284 341 HE1 TYR 26 HE1 TYR 26 -26.182 25.723 -7.826 342 HE2 TYR 26 HE2 TYR 26 -25.748 24.796 -3.635 343 HH TYR 26 HH TYR 26 -26.895 23.510 -5.149 344 H THR 27 H THR 27 -20.286 27.628 -6.661 345 HA THR 27 HA THR 27 -19.282 30.242 -7.453 346 HB THR 27 HB THR 27 -17.795 28.892 -8.961 347 HG1 THR 27 HG1 THR 27 -17.865 26.581 -8.292 348 HG21 THR 27 HG21 THR 27 -16.449 27.905 -7.208 349 HG22 THR 27 HG22 THR 27 -17.145 29.416 -6.611 350 HG23 THR 27 HG23 THR 27 -17.835 27.859 -6.091 351 HA PRO 28 HA PRO 28 -18.049 30.961 -9.525 352 HB2 PRO 28 HB2 PRO 28 -18.402 33.061 -11.190 353 HB3 PRO 28 HB3 PRO 28 -18.118 31.400 -11.802 354 HG2 PRO 28 HG2 PRO 28 -20.779 32.833 -11.476 355 HG3 PRO 28 HG3 PRO 28 -20.166 31.952 -12.911 356 HD2 PRO 28 HD2 PRO 28 -21.832 30.796 -11.062 357 HD3 PRO 28 HD3 PRO 28 -20.570 29.860 -11.914 358 H LYS 29 H LYS 29 -17.447 32.443 -8.040 359 HA LYS 29 HA LYS 29 -18.952 34.790 -7.279 360 HB2 LYS 29 HB2 LYS 29 -19.275 32.231 -5.751 361 HB3 LYS 29 HB3 LYS 29 -18.699 33.557 -4.788 362 HG2 LYS 29 HG2 LYS 29 -20.764 34.831 -6.033 363 HG3 LYS 29 HG3 LYS 29 -21.348 33.173 -6.090 364 HD2 LYS 29 HD2 LYS 29 -20.937 35.004 -3.747 365 HD3 LYS 29 HD3 LYS 29 -22.269 33.922 -4.118 366 HE2 LYS 29 HE2 LYS 29 -21.445 32.577 -2.502 367 HE3 LYS 29 HE3 LYS 29 -20.254 32.109 -3.701 368 HZ1 LYS 29 HZ1 LYS 29 -18.947 34.160 -2.773 369 HZ2 LYS 29 HZ2 LYS 29 -19.900 34.051 -1.492 370 HZ3 LYS 29 HZ3 LYS 29 -18.909 32.797 -1.934 371 H ALA 30 H ALA 30 -17.854 36.023 -5.737 372 HA ALA 30 HA ALA 30 -15.492 34.868 -4.382 373 HB1 ALA 30 HB1 ALA 30 -15.147 37.114 -3.413 374 HB2 ALA 30 HB2 ALA 30 -14.994 37.174 -5.185 375 HB3 ALA 30 HB3 ALA 30 -16.480 37.762 -4.392 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -24.504 26.648 -12.577 2 H2 GLY 1 H2 GLY 1 -23.230 26.143 -13.436 3 H3 GLY 1 H3 GLY 1 -23.138 27.583 -12.624 4 HA2 GLY 1 HA2 GLY 1 -21.895 25.832 -11.520 5 HA3 GLY 1 HA3 GLY 1 -23.206 26.465 -10.509 6 H ILE 2 H ILE 2 -21.847 23.801 -10.649 7 HA ILE 2 HA ILE 2 -22.607 22.013 -12.394 8 HB ILE 2 HB ILE 2 -20.867 21.839 -10.617 9 HG12 ILE 2 HG12 ILE 2 -22.459 19.256 -10.949 10 HG13 ILE 2 HG13 ILE 2 -21.427 19.966 -12.192 11 HG21 ILE 2 HG21 ILE 2 -23.019 20.535 -8.887 12 HG22 ILE 2 HG22 ILE 2 -21.335 20.858 -8.458 13 HG23 ILE 2 HG23 ILE 2 -22.457 22.197 -8.658 14 HD11 ILE 2 HD11 ILE 2 -20.204 18.226 -11.046 15 HD12 ILE 2 HD12 ILE 2 -19.472 19.790 -10.639 16 HD13 ILE 2 HD13 ILE 2 -20.518 18.956 -9.464 17 H VAL 3 H VAL 3 -24.807 22.685 -9.770 18 HA VAL 3 HA VAL 3 -26.540 20.425 -9.979 19 HB VAL 3 HB VAL 3 -26.525 22.114 -8.158 20 HG11 VAL 3 HG11 VAL 3 -27.847 24.175 -8.385 21 HG12 VAL 3 HG12 VAL 3 -26.416 24.208 -9.430 22 HG13 VAL 3 HG13 VAL 3 -28.024 23.899 -10.125 23 HG21 VAL 3 HG21 VAL 3 -28.884 22.065 -7.699 24 HG22 VAL 3 HG22 VAL 3 -29.278 21.776 -9.407 25 HG23 VAL 3 HG23 VAL 3 -28.415 20.539 -8.464 26 H GLU 4 H GLU 4 -26.020 23.031 -12.245 27 HA GLU 4 HA GLU 4 -28.344 22.788 -13.859 28 HB2 GLU 4 HB2 GLU 4 -26.958 23.652 -15.641 29 HB3 GLU 4 HB3 GLU 4 -26.665 24.485 -14.122 30 HG2 GLU 4 HG2 GLU 4 -24.682 22.522 -14.096 31 HG3 GLU 4 HG3 GLU 4 -24.821 22.854 -15.816 32 H GLN 5 H GLN 5 -25.647 20.457 -13.501 33 HA GLN 5 HA GLN 5 -26.447 18.833 -15.777 34 HB2 GLN 5 HB2 GLN 5 -24.924 18.056 -13.251 35 HB3 GLN 5 HB3 GLN 5 -25.066 17.105 -14.735 36 HG2 GLN 5 HG2 GLN 5 -24.077 19.205 -15.932 37 HG3 GLN 5 HG3 GLN 5 -23.571 19.711 -14.316 38 HE21 GLN 5 HE21 GLN 5 -21.441 16.552 -14.307 39 HE22 GLN 5 HE22 GLN 5 -22.845 16.957 -13.314 40 H CYS 6 H CYS 6 -27.561 19.002 -12.406 41 HA CYS 6 HA CYS 6 -29.184 16.569 -12.533 42 HB2 CYS 6 HB2 CYS 6 -29.216 18.996 -10.690 43 HB3 CYS 6 HB3 CYS 6 -30.287 17.623 -10.513 44 H CYS 7 H CYS 7 -29.541 19.783 -13.739 45 HA CYS 7 HA CYS 7 -32.440 19.689 -14.114 46 HB2 CYS 7 HB2 CYS 7 -30.294 21.653 -15.017 47 HB3 CYS 7 HB3 CYS 7 -32.011 21.903 -15.165 48 H ALA 8 H ALA 8 -29.964 18.152 -15.730 49 HA ALA 8 HA ALA 8 -31.582 17.981 -18.229 50 HB1 ALA 8 HB1 ALA 8 -29.568 18.389 -19.588 51 HB2 ALA 8 HB2 ALA 8 -29.914 19.772 -18.535 52 HB3 ALA 8 HB3 ALA 8 -28.607 18.647 -18.111 53 H SER 9 H SER 9 -29.676 16.240 -15.891 54 HA SER 9 HA SER 9 -30.269 13.749 -17.303 55 HB2 SER 9 HB2 SER 9 -27.460 14.838 -17.014 56 HB3 SER 9 HB3 SER 9 -27.737 13.088 -16.973 57 HG SER 9 HG SER 9 -28.870 14.700 -18.998 58 H VAL 10 H VAL 10 -29.160 11.889 -15.955 59 HA VAL 10 HA VAL 10 -30.678 11.756 -13.614 60 HB VAL 10 HB VAL 10 -28.318 9.992 -14.389 61 HG11 VAL 10 HG11 VAL 10 -30.614 9.520 -12.422 62 HG12 VAL 10 HG12 VAL 10 -29.464 8.281 -12.968 63 HG13 VAL 10 HG13 VAL 10 -28.884 9.639 -12.010 64 HG21 VAL 10 HG21 VAL 10 -31.319 9.660 -14.839 65 HG22 VAL 10 HG22 VAL 10 -30.115 10.030 -16.101 66 HG23 VAL 10 HG23 VAL 10 -30.060 8.478 -15.264 67 H CYS 11 H CYS 11 -30.351 13.333 -12.176 68 HA CYS 11 HA CYS 11 -28.019 14.377 -11.237 69 HB2 CYS 11 HB2 CYS 11 -30.320 15.216 -10.837 70 HB3 CYS 11 HB3 CYS 11 -30.556 13.961 -9.632 71 H SER 12 H SER 12 -26.394 13.890 -9.904 72 HA SER 12 HA SER 12 -26.502 11.427 -8.213 73 HB2 SER 12 HB2 SER 12 -24.327 12.327 -10.128 74 HB3 SER 12 HB3 SER 12 -24.140 11.043 -8.917 75 HG SER 12 HG SER 12 -26.018 11.095 -11.066 76 H LEU 13 H LEU 13 -25.383 11.456 -6.305 77 HA LEU 13 HA LEU 13 -25.881 13.910 -5.053 78 HB2 LEU 13 HB2 LEU 13 -24.586 11.384 -3.925 79 HB3 LEU 13 HB3 LEU 13 -25.144 12.757 -2.989 80 HG LEU 13 HG LEU 13 -27.463 12.342 -4.191 81 HD11 LEU 13 HD11 LEU 13 -27.887 9.872 -4.450 82 HD12 LEU 13 HD12 LEU 13 -26.835 10.511 -5.711 83 HD13 LEU 13 HD13 LEU 13 -26.147 9.591 -4.350 84 HD21 LEU 13 HD21 LEU 13 -28.131 10.890 -2.323 85 HD22 LEU 13 HD22 LEU 13 -26.423 10.527 -1.976 86 HD23 LEU 13 HD23 LEU 13 -27.052 12.172 -1.770 87 H TYR 14 H TYR 14 -22.655 12.437 -5.613 88 HA TYR 14 HA TYR 14 -21.169 14.096 -3.984 89 HB2 TYR 14 HB2 TYR 14 -20.241 13.061 -6.673 90 HB3 TYR 14 HB3 TYR 14 -19.265 13.358 -5.237 91 HD1 TYR 14 HD1 TYR 14 -20.076 12.012 -3.047 92 HD2 TYR 14 HD2 TYR 14 -20.895 10.834 -7.121 93 HE1 TYR 14 HE1 TYR 14 -20.508 9.692 -2.287 94 HE2 TYR 14 HE2 TYR 14 -21.350 8.506 -6.343 95 HH TYR 14 HH TYR 14 -20.995 7.543 -2.940 96 H GLN 15 H GLN 15 -22.649 15.056 -6.977 97 HA GLN 15 HA GLN 15 -21.086 17.406 -7.601 98 HB2 GLN 15 HB2 GLN 15 -24.042 16.830 -7.993 99 HB3 GLN 15 HB3 GLN 15 -23.124 18.089 -8.811 100 HG2 GLN 15 HG2 GLN 15 -21.762 16.451 -10.000 101 HG3 GLN 15 HG3 GLN 15 -22.566 15.115 -9.158 102 HE21 GLN 15 HE21 GLN 15 -25.741 16.054 -10.907 103 HE22 GLN 15 HE22 GLN 15 -25.248 15.786 -9.225 104 H LEU 16 H LEU 16 -23.485 16.722 -5.105 105 HA LEU 16 HA LEU 16 -23.996 19.560 -4.483 106 HB2 LEU 16 HB2 LEU 16 -24.798 17.024 -2.992 107 HB3 LEU 16 HB3 LEU 16 -25.411 18.631 -2.716 108 HG LEU 16 HG LEU 16 -25.871 16.914 -5.190 109 HD11 LEU 16 HD11 LEU 16 -28.213 16.967 -4.470 110 HD12 LEU 16 HD12 LEU 16 -27.179 16.300 -3.194 111 HD13 LEU 16 HD13 LEU 16 -27.773 17.968 -3.064 112 HD21 LEU 16 HD21 LEU 16 -26.889 19.740 -4.649 113 HD22 LEU 16 HD22 LEU 16 -25.732 19.269 -5.913 114 HD23 LEU 16 HD23 LEU 16 -27.397 18.684 -5.984 115 H GLU 17 H GLU 17 -22.175 16.800 -3.105 116 HA GLU 17 HA GLU 17 -21.114 18.076 -0.804 117 HB2 GLU 17 HB2 GLU 17 -19.634 16.111 -2.598 118 HB3 GLU 17 HB3 GLU 17 -19.360 16.389 -0.890 119 HG2 GLU 17 HG2 GLU 17 -21.883 15.152 -2.088 120 HG3 GLU 17 HG3 GLU 17 -20.518 14.265 -1.439 121 H ASN 18 H ASN 18 -20.072 18.206 -4.180 122 HA ASN 18 HA ASN 18 -17.677 19.720 -3.852 123 HB2 ASN 18 HB2 ASN 18 -18.679 18.391 -5.867 124 HB3 ASN 18 HB3 ASN 18 -19.591 19.851 -6.228 125 HD21 ASN 18 HD21 ASN 18 -15.991 21.241 -6.763 126 HD22 ASN 18 HD22 ASN 18 -17.093 21.553 -5.409 127 H TYR 19 H TYR 19 -20.948 20.734 -3.329 128 HA TYR 19 HA TYR 19 -20.303 23.614 -3.800 129 HB2 TYR 19 HB2 TYR 19 -22.587 21.891 -4.642 130 HB3 TYR 19 HB3 TYR 19 -23.033 23.452 -3.988 131 HD1 TYR 19 HD1 TYR 19 -23.733 24.742 -5.801 132 HD2 TYR 19 HD2 TYR 19 -20.057 22.519 -6.127 133 HE1 TYR 19 HE1 TYR 19 -23.219 25.882 -7.954 134 HE2 TYR 19 HE2 TYR 19 -19.504 23.712 -8.217 135 HH TYR 19 HH TYR 19 -20.172 26.042 -9.253 136 H CYS 20 H CYS 20 -21.292 21.427 -1.302 137 HA CYS 20 HA CYS 20 -22.463 23.427 0.436 138 HB2 CYS 20 HB2 CYS 20 -22.637 20.917 0.704 139 HB3 CYS 20 HB3 CYS 20 -20.948 20.933 1.225 140 H ASN 21 H ASN 21 -21.412 24.524 2.242 141 HA ASN 21 HA ASN 21 -18.579 25.251 1.743 142 HB2 ASN 21 HB2 ASN 21 -20.875 26.464 3.252 143 HB3 ASN 21 HB3 ASN 21 -19.312 26.588 4.031 144 HD21 ASN 21 HD21 ASN 21 -17.895 28.634 1.408 145 HD22 ASN 21 HD22 ASN 21 -17.490 27.250 2.433 146 H1 PHE 1 H1 PHE 1 -29.780 10.387 -8.787 147 H2 PHE 1 H2 PHE 1 -31.378 10.734 -9.009 148 H3 PHE 1 H3 PHE 1 -30.944 9.229 -8.543 149 HA PHE 1 HA PHE 1 -30.325 9.877 -6.411 150 HB2 PHE 1 HB2 PHE 1 -29.100 11.859 -6.722 151 HB3 PHE 1 HB3 PHE 1 -30.425 12.660 -7.565 152 HD1 PHE 1 HD1 PHE 1 -29.957 11.018 -4.169 153 HD2 PHE 1 HD2 PHE 1 -31.396 14.429 -6.415 154 HE1 PHE 1 HE1 PHE 1 -30.844 12.024 -2.094 155 HE2 PHE 1 HE2 PHE 1 -32.311 15.396 -4.336 156 HZ PHE 1 HZ PHE 1 -32.035 14.207 -2.174 157 H VAL 2 H VAL 2 -32.638 12.500 -6.977 158 HA VAL 2 HA VAL 2 -34.980 10.772 -6.660 159 HB VAL 2 HB VAL 2 -34.812 13.305 -6.252 160 HG11 VAL 2 HG11 VAL 2 -33.737 13.925 -8.407 161 HG12 VAL 2 HG12 VAL 2 -35.217 13.447 -9.266 162 HG13 VAL 2 HG13 VAL 2 -35.251 14.789 -8.112 163 HG21 VAL 2 HG21 VAL 2 -37.131 13.677 -6.867 164 HG22 VAL 2 HG22 VAL 2 -37.122 12.245 -7.910 165 HG23 VAL 2 HG23 VAL 2 -36.906 12.074 -6.160 166 H ASN 3 H ASN 3 -36.459 10.559 -8.642 167 HA ASN 3 HA ASN 3 -35.073 8.751 -10.326 168 HB2 ASN 3 HB2 ASN 3 -37.936 9.795 -10.532 169 HB3 ASN 3 HB3 ASN 3 -37.328 8.272 -11.172 170 HD21 ASN 3 HD21 ASN 3 -37.766 6.494 -9.872 171 HD22 ASN 3 HD22 ASN 3 -38.087 6.644 -8.144 172 H GLN 4 H GLN 4 -36.042 12.025 -10.919 173 HA GLN 4 HA GLN 4 -35.592 11.774 -13.854 174 HB2 GLN 4 HB2 GLN 4 -37.570 12.965 -14.222 175 HB3 GLN 4 HB3 GLN 4 -37.995 11.793 -12.985 176 HG2 GLN 4 HG2 GLN 4 -37.423 14.750 -12.577 177 HG3 GLN 4 HG3 GLN 4 -39.010 14.006 -12.563 178 HE21 GLN 4 HE21 GLN 4 -37.685 14.558 -9.047 179 HE22 GLN 4 HE22 GLN 4 -37.670 15.645 -10.423 180 H HIS 5 H HIS 5 -34.902 13.555 -15.000 181 HA HIS 5 HA HIS 5 -32.936 15.193 -13.771 182 HB2 HIS 5 HB2 HIS 5 -33.937 15.757 -16.538 183 HB3 HIS 5 HB3 HIS 5 -32.297 15.689 -15.925 184 HD2 HIS 5 HD2 HIS 5 -33.958 14.148 -18.493 185 HE1 HIS 5 HE1 HIS 5 -32.461 10.646 -16.607 186 HE2 HIS 5 HE2 HIS 5 -33.463 11.579 -18.746 187 H LEU 6 H LEU 6 -35.566 15.940 -12.668 188 HA LEU 6 HA LEU 6 -36.363 18.360 -14.137 189 HB2 LEU 6 HB2 LEU 6 -38.002 16.662 -13.414 190 HB3 LEU 6 HB3 LEU 6 -37.701 17.096 -11.731 191 HG LEU 6 HG LEU 6 -39.786 17.971 -12.717 192 HD11 LEU 6 HD11 LEU 6 -39.718 20.192 -11.853 193 HD12 LEU 6 HD12 LEU 6 -38.684 19.183 -10.826 194 HD13 LEU 6 HD13 LEU 6 -37.965 20.289 -12.014 195 HD21 LEU 6 HD21 LEU 6 -38.935 18.366 -15.027 196 HD22 LEU 6 HD22 LEU 6 -39.823 19.741 -14.347 197 HD23 LEU 6 HD23 LEU 6 -38.057 19.797 -14.429 198 H CYS 7 H CYS 7 -35.432 20.139 -13.797 199 HA CYS 7 HA CYS 7 -33.662 20.816 -11.717 200 HB2 CYS 7 HB2 CYS 7 -33.950 21.622 -14.179 201 HB3 CYS 7 HB3 CYS 7 -35.138 22.743 -13.537 202 H GLY 8 H GLY 8 -33.979 21.712 -9.676 203 HA2 GLY 8 HA2 GLY 8 -35.535 23.978 -9.205 204 HA3 GLY 8 HA3 GLY 8 -36.570 22.624 -8.764 205 H SER 9 H SER 9 -36.381 24.056 -6.751 206 HA SER 9 HA SER 9 -34.157 24.072 -5.058 207 HB2 SER 9 HB2 SER 9 -37.084 23.947 -4.252 208 HB3 SER 9 HB3 SER 9 -35.734 24.462 -3.226 209 HG SER 9 HG SER 9 -36.690 26.263 -4.140 210 H HIS 10 H HIS 10 -36.023 21.246 -5.857 211 HA HIS 10 HA HIS 10 -35.765 19.681 -3.516 212 HB2 HIS 10 HB2 HIS 10 -35.560 18.754 -6.413 213 HB3 HIS 10 HB3 HIS 10 -36.085 17.802 -5.027 214 HD2 HIS 10 HD2 HIS 10 -38.197 19.981 -3.794 215 HE1 HIS 10 HE1 HIS 10 -40.186 19.490 -7.531 216 HE2 HIS 10 HE2 HIS 10 -40.443 20.277 -5.109 217 H LEU 11 H LEU 11 -33.311 20.530 -5.925 218 HA LEU 11 HA LEU 11 -31.317 18.669 -4.811 219 HB2 LEU 11 HB2 LEU 11 -30.976 20.938 -6.807 220 HB3 LEU 11 HB3 LEU 11 -29.770 19.748 -6.349 221 HG LEU 11 HG LEU 11 -30.418 18.932 -8.353 222 HD11 LEU 11 HD11 LEU 11 -32.435 17.503 -6.578 223 HD12 LEU 11 HD12 LEU 11 -31.744 16.915 -8.098 224 HD13 LEU 11 HD13 LEU 11 -30.698 17.137 -6.678 225 HD21 LEU 11 HD21 LEU 11 -32.257 20.507 -8.797 226 HD22 LEU 11 HD22 LEU 11 -32.612 18.865 -9.343 227 HD23 LEU 11 HD23 LEU 11 -33.367 19.479 -7.863 228 H VAL 12 H VAL 12 -32.383 21.909 -4.109 229 HA VAL 12 HA VAL 12 -30.012 22.570 -2.461 230 HB VAL 12 HB VAL 12 -32.667 24.040 -2.710 231 HG11 VAL 12 HG11 VAL 12 -31.606 24.538 -0.561 232 HG12 VAL 12 HG12 VAL 12 -30.043 24.808 -1.357 233 HG13 VAL 12 HG13 VAL 12 -31.406 25.914 -1.638 234 HG21 VAL 12 HG21 VAL 12 -31.381 24.132 -4.817 235 HG22 VAL 12 HG22 VAL 12 -31.358 25.697 -3.998 236 HG23 VAL 12 HG23 VAL 12 -29.933 24.638 -3.912 237 H GLU 13 H GLU 13 -33.383 21.428 -2.049 238 HA GLU 13 HA GLU 13 -33.283 21.105 0.798 239 HB2 GLU 13 HB2 GLU 13 -34.813 19.713 -1.397 240 HB3 GLU 13 HB3 GLU 13 -35.114 19.420 0.323 241 HG2 GLU 13 HG2 GLU 13 -35.991 21.547 0.705 242 HG3 GLU 13 HG3 GLU 13 -35.123 22.289 -0.629 243 H ALA 14 H ALA 14 -32.255 18.912 -1.887 244 HA ALA 14 HA ALA 14 -31.264 16.836 -0.214 245 HB1 ALA 14 HB1 ALA 14 -30.199 17.800 -2.899 246 HB2 ALA 14 HB2 ALA 14 -29.942 16.202 -2.163 247 HB3 ALA 14 HB3 ALA 14 -31.576 16.710 -2.655 248 H LEU 15 H LEU 15 -29.542 19.823 -1.351 249 HA LEU 15 HA LEU 15 -27.116 19.364 0.105 250 HB2 LEU 15 HB2 LEU 15 -28.551 21.843 -0.880 251 HB3 LEU 15 HB3 LEU 15 -27.114 21.987 0.092 252 HG LEU 15 HG LEU 15 -27.043 20.265 -2.382 253 HD11 LEU 15 HD11 LEU 15 -26.204 22.288 -3.596 254 HD12 LEU 15 HD12 LEU 15 -27.903 22.395 -3.170 255 HD13 LEU 15 HD13 LEU 15 -26.694 23.291 -2.210 256 HD21 LEU 15 HD21 LEU 15 -25.090 20.202 -0.829 257 HD22 LEU 15 HD22 LEU 15 -24.669 20.994 -2.361 258 HD23 LEU 15 HD23 LEU 15 -24.961 21.969 -0.916 259 H TYR 16 H TYR 16 -30.207 20.870 1.202 260 HA TYR 16 HA TYR 16 -29.245 21.399 3.856 261 HB2 TYR 16 HB2 TYR 16 -31.980 21.216 2.633 262 HB3 TYR 16 HB3 TYR 16 -31.813 21.244 4.375 263 HD1 TYR 16 HD1 TYR 16 -30.333 23.122 5.430 264 HD2 TYR 16 HD2 TYR 16 -32.141 23.323 1.527 265 HE1 TYR 16 HE1 TYR 16 -30.219 25.596 5.516 266 HE2 TYR 16 HE2 TYR 16 -32.061 25.814 1.625 267 HH TYR 16 HH TYR 16 -30.827 27.544 4.483 268 H LEU 17 H LEU 17 -30.830 18.490 2.505 269 HA LEU 17 HA LEU 17 -31.069 17.151 5.065 270 HB2 LEU 17 HB2 LEU 17 -31.212 16.268 2.156 271 HB3 LEU 17 HB3 LEU 17 -31.429 15.127 3.481 272 HG LEU 17 HG LEU 17 -33.153 17.630 3.256 273 HD11 LEU 17 HD11 LEU 17 -33.696 14.855 2.127 274 HD12 LEU 17 HD12 LEU 17 -34.866 16.197 2.212 275 HD13 LEU 17 HD13 LEU 17 -33.434 16.346 1.188 276 HD21 LEU 17 HD21 LEU 17 -34.698 16.322 4.641 277 HD22 LEU 17 HD22 LEU 17 -33.554 14.961 4.664 278 HD23 LEU 17 HD23 LEU 17 -33.139 16.499 5.454 279 H VAL 18 H VAL 18 -28.538 17.173 2.589 280 HA VAL 18 HA VAL 18 -26.970 15.093 3.985 281 HB VAL 18 HB VAL 18 -26.416 16.810 1.534 282 HG11 VAL 18 HG11 VAL 18 -24.806 14.479 2.658 283 HG12 VAL 18 HG12 VAL 18 -24.582 15.196 1.054 284 HG13 VAL 18 HG13 VAL 18 -24.253 16.155 2.486 285 HG21 VAL 18 HG21 VAL 18 -27.114 13.852 1.803 286 HG22 VAL 18 HG22 VAL 18 -28.228 15.112 1.234 287 HG23 VAL 18 HG23 VAL 18 -26.783 14.722 0.289 288 H CYS 19 H CYS 19 -26.797 18.623 3.530 289 HA CYS 19 HA CYS 19 -24.509 18.775 5.440 290 HB2 CYS 19 HB2 CYS 19 -23.963 18.453 2.961 291 HB3 CYS 19 HB3 CYS 19 -24.606 20.070 2.694 292 H GLY 20 H GLY 20 -27.482 19.769 5.487 293 HA2 GLY 20 HA2 GLY 20 -27.653 22.475 4.960 294 HA3 GLY 20 HA3 GLY 20 -28.694 21.597 6.085 295 H GLU 21 H GLU 21 -25.971 21.290 7.697 296 HA GLU 21 HA GLU 21 -26.362 23.462 9.565 297 HB2 GLU 21 HB2 GLU 21 -25.495 21.199 10.101 298 HB3 GLU 21 HB3 GLU 21 -24.075 21.511 9.103 299 HG2 GLU 21 HG2 GLU 21 -23.395 23.334 10.667 300 HG3 GLU 21 HG3 GLU 21 -24.845 23.021 11.639 301 H ARG 22 H ARG 22 -24.329 23.088 6.689 302 HA ARG 22 HA ARG 22 -22.447 25.179 7.662 303 HB2 ARG 22 HB2 ARG 22 -22.351 22.968 5.587 304 HB3 ARG 22 HB3 ARG 22 -21.059 24.157 5.734 305 HG2 ARG 22 HG2 ARG 22 -20.330 23.390 7.790 306 HG3 ARG 22 HG3 ARG 22 -21.914 22.788 8.277 307 HD2 ARG 22 HD2 ARG 22 -20.356 20.956 7.928 308 HD3 ARG 22 HD3 ARG 22 -21.741 20.874 6.820 309 HE ARG 22 HE ARG 22 -19.768 22.230 5.368 310 HH11 ARG 22 HH11 ARG 22 -20.159 18.983 6.644 311 HH12 ARG 22 HH12 ARG 22 -19.283 18.298 5.296 312 HH21 ARG 22 HH21 ARG 22 -18.769 21.412 3.857 313 HH22 ARG 22 HH22 ARG 22 -18.524 19.683 3.622 314 H GLY 23 H GLY 23 -24.970 25.143 5.380 315 HA2 GLY 23 HA2 GLY 23 -25.606 26.745 3.765 316 HA3 GLY 23 HA3 GLY 23 -24.171 27.703 4.150 317 H PHE 24 H PHE 24 -24.621 27.639 1.528 318 HA PHE 24 HA PHE 24 -22.836 25.551 0.386 319 HB2 PHE 24 HB2 PHE 24 -25.314 26.247 -1.126 320 HB3 PHE 24 HB3 PHE 24 -24.372 24.771 -1.144 321 HD1 PHE 24 HD1 PHE 24 -24.470 23.450 1.300 322 HD2 PHE 24 HD2 PHE 24 -27.444 26.170 -0.233 323 HE1 PHE 24 HE1 PHE 24 -26.115 22.547 2.904 324 HE2 PHE 24 HE2 PHE 24 -29.107 25.225 1.338 325 HZ PHE 24 HZ PHE 24 -28.450 23.435 2.923 326 H PHE 25 H PHE 25 -21.354 26.348 -0.986 327 HA PHE 25 HA PHE 25 -21.200 29.201 -1.011 328 HB2 PHE 25 HB2 PHE 25 -19.280 27.576 -0.762 329 HB3 PHE 25 HB3 PHE 25 -19.354 27.310 -2.498 330 HD1 PHE 25 HD1 PHE 25 -18.404 28.975 -4.030 331 HD2 PHE 25 HD2 PHE 25 -18.950 29.924 0.138 332 HE1 PHE 25 HE1 PHE 25 -17.068 31.062 -4.316 333 HE2 PHE 25 HE2 PHE 25 -17.579 31.979 -0.148 334 HZ PHE 25 HZ PHE 25 -16.628 32.531 -2.372 335 H TYR 26 H TYR 26 -21.700 26.927 -3.711 336 HA TYR 26 HA TYR 26 -22.201 27.167 -5.881 337 HB2 TYR 26 HB2 TYR 26 -23.758 29.456 -4.731 338 HB3 TYR 26 HB3 TYR 26 -23.686 29.253 -6.464 339 HD1 TYR 26 HD1 TYR 26 -25.216 27.845 -7.533 340 HD2 TYR 26 HD2 TYR 26 -24.395 27.267 -3.338 341 HE1 TYR 26 HE1 TYR 26 -26.926 26.049 -7.448 342 HE2 TYR 26 HE2 TYR 26 -26.080 25.427 -3.272 343 HH TYR 26 HH TYR 26 -28.212 24.740 -5.992 344 H THR 27 H THR 27 -21.546 27.789 -7.869 345 HA THR 27 HA THR 27 -19.931 30.231 -8.176 346 HB THR 27 HB THR 27 -18.045 29.036 -9.199 347 HG1 THR 27 HG1 THR 27 -17.949 26.758 -8.740 348 HG21 THR 27 HG21 THR 27 -16.993 28.140 -7.242 349 HG22 THR 27 HG22 THR 27 -17.978 29.525 -6.749 350 HG23 THR 27 HG23 THR 27 -18.553 27.872 -6.440 351 HA PRO 28 HA PRO 28 -18.314 30.818 -10.173 352 HB2 PRO 28 HB2 PRO 28 -18.610 32.813 -11.978 353 HB3 PRO 28 HB3 PRO 28 -18.098 31.159 -12.437 354 HG2 PRO 28 HG2 PRO 28 -20.893 32.338 -12.563 355 HG3 PRO 28 HG3 PRO 28 -20.007 31.460 -13.851 356 HD2 PRO 28 HD2 PRO 28 -21.797 30.205 -12.225 357 HD3 PRO 28 HD3 PRO 28 -20.309 29.383 -12.765 358 H LYS 29 H LYS 29 -17.982 32.362 -8.708 359 HA LYS 29 HA LYS 29 -19.506 34.741 -8.291 360 HB2 LYS 29 HB2 LYS 29 -20.975 32.885 -7.213 361 HB3 LYS 29 HB3 LYS 29 -19.631 32.633 -6.096 362 HG2 LYS 29 HG2 LYS 29 -19.930 35.013 -5.300 363 HG3 LYS 29 HG3 LYS 29 -21.205 35.234 -6.475 364 HD2 LYS 29 HD2 LYS 29 -21.862 34.781 -4.028 365 HD3 LYS 29 HD3 LYS 29 -22.705 33.901 -5.300 366 HE2 LYS 29 HE2 LYS 29 -22.259 32.386 -3.477 367 HE3 LYS 29 HE3 LYS 29 -21.359 31.903 -4.900 368 HZ1 LYS 29 HZ1 LYS 29 -19.938 31.697 -3.063 369 HZ2 LYS 29 HZ2 LYS 29 -19.365 32.996 -3.874 370 HZ3 LYS 29 HZ3 LYS 29 -20.200 33.234 -2.524 371 H ALA 30 H ALA 30 -18.479 35.938 -6.456 372 HA ALA 30 HA ALA 30 -15.713 35.237 -5.702 373 HB1 ALA 30 HB1 ALA 30 -15.884 37.278 -4.342 374 HB2 ALA 30 HB2 ALA 30 -16.361 37.623 -6.018 375 HB3 ALA 30 HB3 ALA 30 -17.602 37.439 -4.746 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -22.967 27.428 -12.593 2 H2 GLY 1 H2 GLY 1 -24.380 26.570 -12.461 3 H3 GLY 1 H3 GLY 1 -23.178 26.009 -13.401 4 HA2 GLY 1 HA2 GLY 1 -21.768 25.563 -11.607 5 HA3 GLY 1 HA3 GLY 1 -22.920 26.317 -10.478 6 H ILE 2 H ILE 2 -21.907 23.615 -10.401 7 HA ILE 2 HA ILE 2 -22.756 21.791 -12.056 8 HB ILE 2 HB ILE 2 -21.114 21.653 -10.119 9 HG12 ILE 2 HG12 ILE 2 -22.665 19.077 -10.601 10 HG13 ILE 2 HG13 ILE 2 -21.606 19.823 -11.803 11 HG21 ILE 2 HG21 ILE 2 -23.435 20.330 -8.632 12 HG22 ILE 2 HG22 ILE 2 -21.791 20.618 -8.041 13 HG23 ILE 2 HG23 ILE 2 -22.876 21.983 -8.313 14 HD11 ILE 2 HD11 ILE 2 -20.402 18.079 -10.624 15 HD12 ILE 2 HD12 ILE 2 -19.688 19.657 -10.236 16 HD13 ILE 2 HD13 ILE 2 -20.735 18.833 -9.057 17 H VAL 3 H VAL 3 -25.081 22.913 -9.733 18 HA VAL 3 HA VAL 3 -26.930 20.717 -9.860 19 HB VAL 3 HB VAL 3 -27.059 22.650 -8.290 20 HG11 VAL 3 HG11 VAL 3 -28.181 24.707 -8.950 21 HG12 VAL 3 HG12 VAL 3 -26.703 24.511 -9.908 22 HG13 VAL 3 HG13 VAL 3 -28.287 24.169 -10.638 23 HG21 VAL 3 HG21 VAL 3 -29.456 22.691 -8.167 24 HG22 VAL 3 HG22 VAL 3 -29.620 22.207 -9.867 25 HG23 VAL 3 HG23 VAL 3 -28.934 21.073 -8.687 26 H GLU 4 H GLU 4 -25.968 23.059 -12.294 27 HA GLU 4 HA GLU 4 -28.103 22.750 -14.135 28 HB2 GLU 4 HB2 GLU 4 -26.539 23.458 -15.818 29 HB3 GLU 4 HB3 GLU 4 -26.371 24.382 -14.339 30 HG2 GLU 4 HG2 GLU 4 -24.427 22.419 -14.000 31 HG3 GLU 4 HG3 GLU 4 -24.415 22.630 -15.743 32 H GLN 5 H GLN 5 -25.484 20.448 -13.353 33 HA GLN 5 HA GLN 5 -26.110 18.563 -15.459 34 HB2 GLN 5 HB2 GLN 5 -25.032 18.004 -12.661 35 HB3 GLN 5 HB3 GLN 5 -24.938 16.930 -14.047 36 HG2 GLN 5 HG2 GLN 5 -23.481 19.583 -13.662 37 HG3 GLN 5 HG3 GLN 5 -22.787 17.963 -13.664 38 HE21 GLN 5 HE21 GLN 5 -23.476 17.918 -17.390 39 HE22 GLN 5 HE22 GLN 5 -24.128 16.927 -16.081 40 H CYS 6 H CYS 6 -27.281 18.928 -12.101 41 HA CYS 6 HA CYS 6 -29.073 16.658 -12.166 42 HB2 CYS 6 HB2 CYS 6 -28.953 19.153 -10.427 43 HB3 CYS 6 HB3 CYS 6 -30.086 17.831 -10.187 44 H CYS 7 H CYS 7 -29.374 19.903 -13.386 45 HA CYS 7 HA CYS 7 -32.280 19.835 -13.687 46 HB2 CYS 7 HB2 CYS 7 -30.060 21.714 -14.561 47 HB3 CYS 7 HB3 CYS 7 -31.741 21.969 -14.986 48 H ALA 8 H ALA 8 -29.872 18.214 -15.401 49 HA ALA 8 HA ALA 8 -31.682 17.911 -17.742 50 HB1 ALA 8 HB1 ALA 8 -29.802 18.326 -19.293 51 HB2 ALA 8 HB2 ALA 8 -30.123 19.749 -18.279 52 HB3 ALA 8 HB3 ALA 8 -28.739 18.692 -17.912 53 H SER 9 H SER 9 -29.587 16.306 -15.528 54 HA SER 9 HA SER 9 -29.917 13.739 -16.901 55 HB2 SER 9 HB2 SER 9 -27.269 15.197 -16.722 56 HB3 SER 9 HB3 SER 9 -27.321 13.426 -16.715 57 HG SER 9 HG SER 9 -28.750 14.904 -18.650 58 H VAL 10 H VAL 10 -28.512 12.062 -15.599 59 HA VAL 10 HA VAL 10 -30.042 11.708 -13.313 60 HB VAL 10 HB VAL 10 -27.463 10.244 -13.992 61 HG11 VAL 10 HG11 VAL 10 -29.841 9.450 -12.235 62 HG12 VAL 10 HG12 VAL 10 -28.504 8.380 -12.708 63 HG13 VAL 10 HG13 VAL 10 -28.176 9.760 -11.673 64 HG21 VAL 10 HG21 VAL 10 -30.360 9.583 -14.700 65 HG22 VAL 10 HG22 VAL 10 -29.114 10.131 -15.848 66 HG23 VAL 10 HG23 VAL 10 -28.941 8.576 -15.040 67 H CYS 11 H CYS 11 -29.954 13.322 -11.865 68 HA CYS 11 HA CYS 11 -27.699 14.452 -10.746 69 HB2 CYS 11 HB2 CYS 11 -30.020 15.313 -10.631 70 HB3 CYS 11 HB3 CYS 11 -30.400 14.105 -9.421 71 H SER 12 H SER 12 -26.183 13.898 -9.333 72 HA SER 12 HA SER 12 -26.555 11.555 -7.528 73 HB2 SER 12 HB2 SER 12 -24.225 12.181 -9.370 74 HB3 SER 12 HB3 SER 12 -24.218 10.932 -8.099 75 HG SER 12 HG SER 12 -25.826 11.065 -10.432 76 H LEU 13 H LEU 13 -25.579 11.578 -5.563 77 HA LEU 13 HA LEU 13 -25.774 14.130 -4.402 78 HB2 LEU 13 HB2 LEU 13 -24.809 11.489 -3.238 79 HB3 LEU 13 HB3 LEU 13 -25.291 12.886 -2.279 80 HG LEU 13 HG LEU 13 -27.178 11.475 -4.227 81 HD11 LEU 13 HD11 LEU 13 -28.177 10.430 -2.238 82 HD12 LEU 13 HD12 LEU 13 -26.504 9.908 -2.484 83 HD13 LEU 13 HD13 LEU 13 -26.883 11.108 -1.228 84 HD21 LEU 13 HD21 LEU 13 -28.933 12.607 -2.881 85 HD22 LEU 13 HD22 LEU 13 -27.687 13.433 -1.956 86 HD23 LEU 13 HD23 LEU 13 -27.878 13.779 -3.688 87 H TYR 14 H TYR 14 -22.798 12.349 -5.168 88 HA TYR 14 HA TYR 14 -20.989 13.790 -3.584 89 HB2 TYR 14 HB2 TYR 14 -20.356 12.854 -6.392 90 HB3 TYR 14 HB3 TYR 14 -19.295 12.906 -4.990 91 HD1 TYR 14 HD1 TYR 14 -19.918 11.335 -2.974 92 HD2 TYR 14 HD2 TYR 14 -21.470 10.864 -6.974 93 HE1 TYR 14 HE1 TYR 14 -20.575 8.993 -2.446 94 HE2 TYR 14 HE2 TYR 14 -22.129 8.513 -6.433 95 HH TYR 14 HH TYR 14 -21.396 7.015 -3.310 96 H GLN 15 H GLN 15 -22.697 14.929 -6.401 97 HA GLN 15 HA GLN 15 -20.961 17.143 -7.102 98 HB2 GLN 15 HB2 GLN 15 -23.967 16.800 -7.397 99 HB3 GLN 15 HB3 GLN 15 -22.990 17.994 -8.241 100 HG2 GLN 15 HG2 GLN 15 -21.860 16.276 -9.545 101 HG3 GLN 15 HG3 GLN 15 -22.616 14.979 -8.609 102 HE21 GLN 15 HE21 GLN 15 -25.885 15.966 -10.114 103 HE22 GLN 15 HE22 GLN 15 -25.263 15.509 -8.507 104 H LEU 16 H LEU 16 -23.103 16.606 -4.365 105 HA LEU 16 HA LEU 16 -23.768 19.476 -4.142 106 HB2 LEU 16 HB2 LEU 16 -24.749 17.113 -2.519 107 HB3 LEU 16 HB3 LEU 16 -25.439 18.730 -2.552 108 HG LEU 16 HG LEU 16 -25.410 16.714 -4.854 109 HD11 LEU 16 HD11 LEU 16 -27.837 16.723 -4.553 110 HD12 LEU 16 HD12 LEU 16 -27.017 16.232 -3.057 111 HD13 LEU 16 HD13 LEU 16 -27.672 17.874 -3.206 112 HD21 LEU 16 HD21 LEU 16 -26.629 19.508 -4.806 113 HD22 LEU 16 HD22 LEU 16 -25.245 18.999 -5.792 114 HD23 LEU 16 HD23 LEU 16 -26.837 18.299 -6.084 115 H GLU 17 H GLU 17 -21.906 17.043 -2.320 116 HA GLU 17 HA GLU 17 -20.966 18.796 -0.201 117 HB2 GLU 17 HB2 GLU 17 -19.883 16.371 -1.681 118 HB3 GLU 17 HB3 GLU 17 -18.807 17.286 -0.643 119 HG2 GLU 17 HG2 GLU 17 -21.459 16.123 0.279 120 HG3 GLU 17 HG3 GLU 17 -19.911 15.309 0.457 121 H ASN 18 H ASN 18 -19.844 18.186 -3.523 122 HA ASN 18 HA ASN 18 -17.628 19.921 -3.463 123 HB2 ASN 18 HB2 ASN 18 -18.453 17.922 -5.059 124 HB3 ASN 18 HB3 ASN 18 -19.068 19.251 -6.042 125 HD21 ASN 18 HD21 ASN 18 -15.553 20.363 -6.524 126 HD22 ASN 18 HD22 ASN 18 -17.085 21.120 -6.043 127 H TYR 19 H TYR 19 -20.778 21.000 -3.286 128 HA TYR 19 HA TYR 19 -20.052 23.675 -4.378 129 HB2 TYR 19 HB2 TYR 19 -22.302 21.944 -5.150 130 HB3 TYR 19 HB3 TYR 19 -22.851 23.493 -4.556 131 HD1 TYR 19 HD1 TYR 19 -23.160 25.125 -6.175 132 HD2 TYR 19 HD2 TYR 19 -20.079 22.183 -6.778 133 HE1 TYR 19 HE1 TYR 19 -22.443 26.294 -8.274 134 HE2 TYR 19 HE2 TYR 19 -19.339 23.365 -8.835 135 HH TYR 19 HH TYR 19 -19.807 26.323 -9.525 136 H CYS 20 H CYS 20 -20.459 22.074 -1.583 137 HA CYS 20 HA CYS 20 -22.047 24.097 -0.176 138 HB2 CYS 20 HB2 CYS 20 -21.930 21.441 0.110 139 HB3 CYS 20 HB3 CYS 20 -20.601 21.863 1.193 140 H ASN 21 H ASN 21 -20.849 24.387 2.216 141 HA ASN 21 HA ASN 21 -17.956 24.977 1.817 142 HB2 ASN 21 HB2 ASN 21 -20.025 26.195 3.692 143 HB3 ASN 21 HB3 ASN 21 -18.346 26.094 4.191 144 HD21 ASN 21 HD21 ASN 21 -17.235 28.387 1.598 145 HD22 ASN 21 HD22 ASN 21 -16.803 26.784 2.218 146 H1 PHE 1 H1 PHE 1 -31.801 11.071 -8.794 147 H2 PHE 1 H2 PHE 1 -31.142 9.679 -8.253 148 H3 PHE 1 H3 PHE 1 -30.158 10.984 -8.553 149 HA PHE 1 HA PHE 1 -30.577 10.577 -6.173 150 HB2 PHE 1 HB2 PHE 1 -29.873 12.766 -6.616 151 HB3 PHE 1 HB3 PHE 1 -31.327 13.151 -7.532 152 HD1 PHE 1 HD1 PHE 1 -30.797 11.833 -4.007 153 HD2 PHE 1 HD2 PHE 1 -32.521 14.875 -6.558 154 HE1 PHE 1 HE1 PHE 1 -32.013 12.790 -2.072 155 HE2 PHE 1 HE2 PHE 1 -33.775 15.766 -4.624 156 HZ PHE 1 HZ PHE 1 -33.517 14.742 -2.385 157 H VAL 2 H VAL 2 -33.415 12.541 -6.261 158 HA VAL 2 HA VAL 2 -35.403 10.418 -6.387 159 HB VAL 2 HB VAL 2 -35.701 12.817 -5.587 160 HG11 VAL 2 HG11 VAL 2 -34.557 13.958 -7.489 161 HG12 VAL 2 HG12 VAL 2 -35.884 13.471 -8.556 162 HG13 VAL 2 HG13 VAL 2 -36.189 14.562 -7.189 163 HG21 VAL 2 HG21 VAL 2 -37.693 11.873 -7.671 164 HG22 VAL 2 HG22 VAL 2 -37.608 11.338 -5.982 165 HG23 VAL 2 HG23 VAL 2 -37.976 13.026 -6.354 166 H ASN 3 H ASN 3 -36.758 10.173 -8.452 167 HA ASN 3 HA ASN 3 -34.995 9.105 -10.380 168 HB2 ASN 3 HB2 ASN 3 -38.005 9.531 -10.615 169 HB3 ASN 3 HB3 ASN 3 -37.036 8.330 -11.465 170 HD21 ASN 3 HD21 ASN 3 -36.984 6.287 -10.505 171 HD22 ASN 3 HD22 ASN 3 -37.418 6.034 -8.816 172 H GLN 4 H GLN 4 -36.897 12.118 -10.554 173 HA GLN 4 HA GLN 4 -36.200 12.459 -13.383 174 HB2 GLN 4 HB2 GLN 4 -37.782 14.187 -13.440 175 HB3 GLN 4 HB3 GLN 4 -38.502 12.854 -12.561 176 HG2 GLN 4 HG2 GLN 4 -37.333 15.369 -11.268 177 HG3 GLN 4 HG3 GLN 4 -39.025 15.140 -11.672 178 HE21 GLN 4 HE21 GLN 4 -38.601 14.376 -8.068 179 HE22 GLN 4 HE22 GLN 4 -38.277 15.796 -9.030 180 H HIS 5 H HIS 5 -34.867 13.907 -14.283 181 HA HIS 5 HA HIS 5 -33.043 15.515 -12.704 182 HB2 HIS 5 HB2 HIS 5 -33.229 15.917 -15.648 183 HB3 HIS 5 HB3 HIS 5 -31.826 15.764 -14.609 184 HD2 HIS 5 HD2 HIS 5 -32.857 14.253 -17.499 185 HE1 HIS 5 HE1 HIS 5 -32.271 10.713 -15.198 186 HE2 HIS 5 HE2 HIS 5 -32.571 11.638 -17.561 187 H LEU 6 H LEU 6 -35.781 16.315 -12.235 188 HA LEU 6 HA LEU 6 -36.406 18.497 -14.078 189 HB2 LEU 6 HB2 LEU 6 -38.071 16.847 -13.199 190 HB3 LEU 6 HB3 LEU 6 -37.949 17.619 -11.619 191 HG LEU 6 HG LEU 6 -39.948 18.237 -12.872 192 HD11 LEU 6 HD11 LEU 6 -39.965 20.585 -12.518 193 HD12 LEU 6 HD12 LEU 6 -38.927 19.878 -11.265 194 HD13 LEU 6 HD13 LEU 6 -38.211 20.716 -12.660 195 HD21 LEU 6 HD21 LEU 6 -39.003 18.123 -15.172 196 HD22 LEU 6 HD22 LEU 6 -39.926 19.602 -14.858 197 HD23 LEU 6 HD23 LEU 6 -38.158 19.663 -14.877 198 H CYS 7 H CYS 7 -35.375 20.312 -13.907 199 HA CYS 7 HA CYS 7 -33.902 21.229 -11.747 200 HB2 CYS 7 HB2 CYS 7 -33.917 21.833 -14.271 201 HB3 CYS 7 HB3 CYS 7 -35.121 23.043 -13.844 202 H GLY 8 H GLY 8 -34.585 21.832 -9.750 203 HA2 GLY 8 HA2 GLY 8 -36.233 24.074 -9.185 204 HA3 GLY 8 HA3 GLY 8 -37.222 22.615 -9.085 205 H SER 9 H SER 9 -37.354 23.548 -6.762 206 HA SER 9 HA SER 9 -35.198 23.688 -5.049 207 HB2 SER 9 HB2 SER 9 -38.008 22.858 -4.271 208 HB3 SER 9 HB3 SER 9 -36.758 23.550 -3.211 209 HG SER 9 HG SER 9 -38.094 25.163 -3.885 210 H HIS 10 H HIS 10 -36.623 20.648 -6.114 211 HA HIS 10 HA HIS 10 -35.917 18.863 -4.093 212 HB2 HIS 10 HB2 HIS 10 -35.567 18.472 -7.093 213 HB3 HIS 10 HB3 HIS 10 -35.704 17.196 -5.888 214 HD2 HIS 10 HD2 HIS 10 -38.285 19.200 -4.547 215 HE1 HIS 10 HE1 HIS 10 -40.271 17.380 -7.849 216 HE2 HIS 10 HE2 HIS 10 -40.586 18.671 -5.660 217 H LEU 11 H LEU 11 -33.697 20.540 -6.264 218 HA LEU 11 HA LEU 11 -31.411 18.870 -5.389 219 HB2 LEU 11 HB2 LEU 11 -31.450 21.293 -7.220 220 HB3 LEU 11 HB3 LEU 11 -30.114 20.199 -6.908 221 HG LEU 11 HG LEU 11 -30.774 19.472 -8.922 222 HD11 LEU 11 HD11 LEU 11 -32.646 17.724 -7.291 223 HD12 LEU 11 HD12 LEU 11 -31.837 17.318 -8.806 224 HD13 LEU 11 HD13 LEU 11 -30.882 17.546 -7.321 225 HD21 LEU 11 HD21 LEU 11 -32.724 20.889 -9.241 226 HD22 LEU 11 HD22 LEU 11 -32.975 19.253 -9.863 227 HD23 LEU 11 HD23 LEU 11 -33.731 19.736 -8.335 228 H VAL 12 H VAL 12 -32.883 21.864 -4.458 229 HA VAL 12 HA VAL 12 -30.608 22.852 -2.841 230 HB VAL 12 HB VAL 12 -33.491 23.735 -3.251 231 HG11 VAL 12 HG11 VAL 12 -33.011 24.205 -0.919 232 HG12 VAL 12 HG12 VAL 12 -31.452 24.944 -1.356 233 HG13 VAL 12 HG13 VAL 12 -32.983 25.704 -1.848 234 HG21 VAL 12 HG21 VAL 12 -31.873 24.305 -5.041 235 HG22 VAL 12 HG22 VAL 12 -32.425 25.746 -4.181 236 HG23 VAL 12 HG23 VAL 12 -30.814 25.077 -3.839 237 H GLU 13 H GLU 13 -33.763 21.242 -2.374 238 HA GLU 13 HA GLU 13 -33.549 20.645 0.405 239 HB2 GLU 13 HB2 GLU 13 -34.895 19.249 -1.916 240 HB3 GLU 13 HB3 GLU 13 -35.154 18.794 -0.229 241 HG2 GLU 13 HG2 GLU 13 -36.410 20.655 0.276 242 HG3 GLU 13 HG3 GLU 13 -35.551 21.703 -0.835 243 H ALA 14 H ALA 14 -32.346 18.786 -2.479 244 HA ALA 14 HA ALA 14 -31.109 16.718 -1.002 245 HB1 ALA 14 HB1 ALA 14 -30.154 17.936 -3.622 246 HB2 ALA 14 HB2 ALA 14 -29.839 16.296 -3.006 247 HB3 ALA 14 HB3 ALA 14 -31.476 16.766 -3.470 248 H LEU 15 H LEU 15 -29.789 19.991 -1.752 249 HA LEU 15 HA LEU 15 -27.184 19.497 -0.571 250 HB2 LEU 15 HB2 LEU 15 -28.789 21.982 -1.229 251 HB3 LEU 15 HB3 LEU 15 -27.270 22.090 -0.363 252 HG LEU 15 HG LEU 15 -27.245 20.518 -2.912 253 HD11 LEU 15 HD11 LEU 15 -26.784 22.628 -4.164 254 HD12 LEU 15 HD12 LEU 15 -28.465 22.497 -3.615 255 HD13 LEU 15 HD13 LEU 15 -27.336 23.552 -2.732 256 HD21 LEU 15 HD21 LEU 15 -25.226 20.800 -1.414 257 HD22 LEU 15 HD22 LEU 15 -24.978 21.471 -3.035 258 HD23 LEU 15 HD23 LEU 15 -25.322 22.545 -1.660 259 H TYR 16 H TYR 16 -30.287 20.714 0.834 260 HA TYR 16 HA TYR 16 -29.193 21.099 3.468 261 HB2 TYR 16 HB2 TYR 16 -32.021 20.540 2.536 262 HB3 TYR 16 HB3 TYR 16 -31.603 20.707 4.234 263 HD1 TYR 16 HD1 TYR 16 -30.176 22.849 4.888 264 HD2 TYR 16 HD2 TYR 16 -32.716 22.526 1.413 265 HE1 TYR 16 HE1 TYR 16 -30.173 25.326 4.656 266 HE2 TYR 16 HE2 TYR 16 -32.766 25.013 1.235 267 HH TYR 16 HH TYR 16 -30.790 27.091 3.314 268 H LEU 17 H LEU 17 -30.581 18.189 1.925 269 HA LEU 17 HA LEU 17 -30.296 16.501 4.245 270 HB2 LEU 17 HB2 LEU 17 -30.529 15.950 1.262 271 HB3 LEU 17 HB3 LEU 17 -30.520 14.668 2.467 272 HG LEU 17 HG LEU 17 -32.580 16.915 2.531 273 HD11 LEU 17 HD11 LEU 17 -32.778 14.174 1.217 274 HD12 LEU 17 HD12 LEU 17 -34.118 15.324 1.445 275 HD13 LEU 17 HD13 LEU 17 -32.771 15.750 0.385 276 HD21 LEU 17 HD21 LEU 17 -33.855 15.312 3.880 277 HD22 LEU 17 HD22 LEU 17 -32.541 14.121 3.747 278 HD23 LEU 17 HD23 LEU 17 -32.291 15.640 4.636 279 H VAL 18 H VAL 18 -28.001 17.276 1.643 280 HA VAL 18 HA VAL 18 -26.129 15.192 2.570 281 HB VAL 18 HB VAL 18 -26.114 17.175 0.277 282 HG11 VAL 18 HG11 VAL 18 -23.935 15.174 0.995 283 HG12 VAL 18 HG12 VAL 18 -24.099 15.958 -0.590 284 HG13 VAL 18 HG13 VAL 18 -23.763 16.933 0.840 285 HG21 VAL 18 HG21 VAL 18 -26.206 14.123 0.419 286 HG22 VAL 18 HG22 VAL 18 -27.592 15.178 0.079 287 HG23 VAL 18 HG23 VAL 18 -26.244 15.110 -1.063 288 H CYS 19 H CYS 19 -26.407 18.674 2.968 289 HA CYS 19 HA CYS 19 -23.799 18.681 4.459 290 HB2 CYS 19 HB2 CYS 19 -23.421 19.257 2.101 291 HB3 CYS 19 HB3 CYS 19 -24.661 20.520 2.205 292 H GLY 20 H GLY 20 -26.825 20.414 3.799 293 HA2 GLY 20 HA2 GLY 20 -28.133 21.778 5.137 294 HA3 GLY 20 HA3 GLY 20 -27.674 20.595 6.345 295 H GLU 21 H GLU 21 -26.166 21.144 7.869 296 HA GLU 21 HA GLU 21 -26.518 23.603 9.160 297 HB2 GLU 21 HB2 GLU 21 -26.029 21.425 10.158 298 HB3 GLU 21 HB3 GLU 21 -24.430 21.407 9.402 299 HG2 GLU 21 HG2 GLU 21 -23.738 23.329 10.796 300 HG3 GLU 21 HG3 GLU 21 -25.345 23.362 11.545 301 H ARG 22 H ARG 22 -23.842 22.607 7.026 302 HA ARG 22 HA ARG 22 -22.046 24.739 7.823 303 HB2 ARG 22 HB2 ARG 22 -22.108 22.923 5.388 304 HB3 ARG 22 HB3 ARG 22 -20.779 23.997 5.800 305 HG2 ARG 22 HG2 ARG 22 -19.969 22.658 7.460 306 HG3 ARG 22 HG3 ARG 22 -21.564 22.147 7.999 307 HD2 ARG 22 HD2 ARG 22 -20.368 20.240 7.131 308 HD3 ARG 22 HD3 ARG 22 -21.771 20.600 6.120 309 HE ARG 22 HE ARG 22 -19.444 21.903 5.026 310 HH11 ARG 22 HH11 ARG 22 -20.958 18.662 5.135 311 HH12 ARG 22 HH12 ARG 22 -20.129 18.187 3.686 312 HH21 ARG 22 HH21 ARG 22 -18.538 21.150 3.131 313 HH22 ARG 22 HH22 ARG 22 -18.948 19.510 2.600 314 H GLY 23 H GLY 23 -24.679 24.768 5.567 315 HA2 GLY 23 HA2 GLY 23 -25.473 26.550 4.257 316 HA3 GLY 23 HA3 GLY 23 -24.074 27.523 4.708 317 H PHE 24 H PHE 24 -25.221 27.296 2.066 318 HA PHE 24 HA PHE 24 -23.414 25.513 0.537 319 HB2 PHE 24 HB2 PHE 24 -25.694 27.132 -0.583 320 HB3 PHE 24 HB3 PHE 24 -24.938 25.699 -1.260 321 HD1 PHE 24 HD1 PHE 24 -25.094 24.072 1.502 322 HD2 PHE 24 HD2 PHE 24 -27.927 26.351 -0.822 323 HE1 PHE 24 HE1 PHE 24 -26.951 22.797 2.519 324 HE2 PHE 24 HE2 PHE 24 -29.784 25.028 0.168 325 HZ PHE 24 HZ PHE 24 -29.294 23.256 1.816 326 H PHE 25 H PHE 25 -21.736 26.294 -0.768 327 HA PHE 25 HA PHE 25 -21.225 29.169 -0.576 328 HB2 PHE 25 HB2 PHE 25 -19.448 27.469 -0.222 329 HB3 PHE 25 HB3 PHE 25 -19.578 26.991 -1.906 330 HD1 PHE 25 HD1 PHE 25 -18.213 28.115 -3.524 331 HD2 PHE 25 HD2 PHE 25 -18.976 29.992 0.280 332 HE1 PHE 25 HE1 PHE 25 -16.609 29.934 -4.098 333 HE2 PHE 25 HE2 PHE 25 -17.386 31.815 -0.301 334 HZ PHE 25 HZ PHE 25 -16.196 31.789 -2.489 335 H TYR 26 H TYR 26 -21.704 26.836 -3.216 336 HA TYR 26 HA TYR 26 -21.994 26.991 -5.425 337 HB2 TYR 26 HB2 TYR 26 -23.698 29.241 -4.466 338 HB3 TYR 26 HB3 TYR 26 -23.345 29.203 -6.178 339 HD1 TYR 26 HD1 TYR 26 -24.470 27.732 -7.650 340 HD2 TYR 26 HD2 TYR 26 -24.670 27.106 -3.389 341 HE1 TYR 26 HE1 TYR 26 -26.150 25.918 -7.990 342 HE2 TYR 26 HE2 TYR 26 -26.338 25.304 -3.730 343 HH TYR 26 HH TYR 26 -27.624 24.176 -5.262 344 H THR 27 H THR 27 -21.401 27.763 -7.451 345 HA THR 27 HA THR 27 -19.942 30.280 -7.634 346 HB THR 27 HB THR 27 -18.067 29.397 -8.915 347 HG1 THR 27 HG1 THR 27 -17.715 27.106 -8.757 348 HG21 THR 27 HG21 THR 27 -16.750 28.349 -7.200 349 HG22 THR 27 HG22 THR 27 -17.761 29.588 -6.446 350 HG23 THR 27 HG23 THR 27 -18.199 27.869 -6.288 351 HA PRO 28 HA PRO 28 -18.651 31.239 -9.842 352 HB2 PRO 28 HB2 PRO 28 -20.487 33.150 -11.255 353 HB3 PRO 28 HB3 PRO 28 -18.744 32.839 -11.525 354 HG2 PRO 28 HG2 PRO 28 -20.579 31.807 -13.220 355 HG3 PRO 28 HG3 PRO 28 -19.220 30.775 -12.657 356 HD2 PRO 28 HD2 PRO 28 -22.056 30.907 -11.566 357 HD3 PRO 28 HD3 PRO 28 -21.101 29.467 -12.030 358 H LYS 29 H LYS 29 -18.193 33.246 -8.757 359 HA LYS 29 HA LYS 29 -20.107 34.944 -7.530 360 HB2 LYS 29 HB2 LYS 29 -20.002 32.761 -6.001 361 HB3 LYS 29 HB3 LYS 29 -18.441 33.416 -5.504 362 HG2 LYS 29 HG2 LYS 29 -19.821 35.612 -4.996 363 HG3 LYS 29 HG3 LYS 29 -21.233 34.587 -5.159 364 HD2 LYS 29 HD2 LYS 29 -18.965 34.234 -3.132 365 HD3 LYS 29 HD3 LYS 29 -20.535 34.954 -2.829 366 HE2 LYS 29 HE2 LYS 29 -20.752 32.788 -1.979 367 HE3 LYS 29 HE3 LYS 29 -21.580 32.729 -3.535 368 HZ1 LYS 29 HZ1 LYS 29 -19.478 31.768 -4.447 369 HZ2 LYS 29 HZ2 LYS 29 -18.875 31.660 -2.913 370 HZ3 LYS 29 HZ3 LYS 29 -20.228 30.843 -3.373 371 H ALA 30 H ALA 30 -18.771 36.497 -6.062 372 HA ALA 30 HA ALA 30 -15.918 36.810 -6.792 373 HB1 ALA 30 HB1 ALA 30 -16.031 38.774 -5.317 374 HB2 ALA 30 HB2 ALA 30 -17.273 38.892 -6.584 375 HB3 ALA 30 HB3 ALA 30 -17.724 38.412 -4.921
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