NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642942 | 6u6g | 30660 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -16.287 -9.153 -5.798 2 H2 ALA 1 HT2 ALA 1 -16.273 -10.409 -6.932 3 H3 ALA 1 HT3 ALA 1 -17.573 -9.333 -6.881 4 HA ALA 1 HA ALA 1 -16.111 -8.852 -8.736 5 HB1 ALA 1 HB1 ALA 1 -17.385 -7.038 -7.708 6 HB2 ALA 1 HB2 ALA 1 -15.820 -6.462 -8.284 7 HB3 ALA 1 HB3 ALA 1 -16.073 -6.754 -6.563 8 H PHE 2 HN PHE 2 -14.051 -8.356 -9.525 9 HA PHE 2 HA PHE 2 -11.836 -8.790 -7.623 10 HB2 PHE 2 HB2 PHE 2 -11.964 -9.429 -10.588 11 HB3 PHE 2 HB1 PHE 2 -10.533 -9.610 -9.580 12 HD1 PHE 2 HD1 PHE 2 -13.603 -11.132 -10.693 13 HD2 PHE 2 HD2 PHE 2 -10.587 -11.276 -7.680 14 HE1 PHE 2 HE1 PHE 2 -14.296 -13.416 -10.103 15 HE2 PHE 2 HE2 PHE 2 -11.280 -13.564 -7.092 16 HZ PHE 2 HZ PHE 2 -13.136 -14.635 -8.304 17 H ILE 3 HN ILE 3 -11.534 -6.650 -7.097 18 HA ILE 3 HA ILE 3 -11.593 -4.532 -8.948 19 HB ILE 3 HB ILE 3 -11.918 -4.031 -6.619 20 HG12 ILE 3 HG12 ILE 3 -9.275 -2.862 -7.547 21 HG13 ILE 3 HG11 ILE 3 -10.875 -2.257 -7.965 22 HG21 ILE 3 HG21 ILE 3 -10.589 -5.839 -5.648 23 HG22 ILE 3 HG22 ILE 3 -10.176 -4.287 -4.922 24 HG23 ILE 3 HG23 ILE 3 -9.105 -5.010 -6.119 25 HD11 ILE 3 HD11 ILE 3 -9.842 -0.903 -6.240 26 HD12 ILE 3 HD12 ILE 3 -9.676 -2.320 -5.203 27 HD13 ILE 3 HD13 ILE 3 -11.280 -1.713 -5.620 28 H GLN 4 HN GLN 4 -10.224 -4.275 -10.582 29 HA GLN 4 HA GLN 4 -7.365 -4.816 -10.220 30 HB2 GLN 4 HB2 GLN 4 -7.314 -6.128 -12.310 31 HB3 GLN 4 HB1 GLN 4 -8.330 -6.888 -11.093 32 HG2 GLN 4 HG2 GLN 4 -10.305 -5.765 -12.237 33 HG3 GLN 4 HG1 GLN 4 -9.192 -5.398 -13.556 34 HE21 GLN 4 HE21 GLN 4 -10.912 -7.882 -11.860 35 HE22 GLN 4 HE22 GLN 4 -10.672 -9.136 -13.028 36 H LEU 5 HN LEU 5 -6.024 -3.745 -11.734 37 HA LEU 5 HA LEU 5 -7.219 -1.394 -12.971 38 HB2 LEU 5 HB2 LEU 5 -5.157 -1.168 -11.633 39 HB3 LEU 5 HB1 LEU 5 -4.326 -2.256 -12.727 40 HG LEU 5 HG LEU 5 -4.612 -0.616 -14.560 41 HD11 LEU 5 HD11 LEU 5 -6.632 0.490 -13.815 42 HD12 LEU 5 HD12 LEU 5 -5.341 1.669 -14.035 43 HD13 LEU 5 HD13 LEU 5 -5.789 1.145 -12.410 44 HD21 LEU 5 HD21 LEU 5 -2.985 1.021 -13.743 45 HD22 LEU 5 HD22 LEU 5 -2.555 -0.615 -13.251 46 HD23 LEU 5 HD23 LEU 5 -3.278 0.495 -12.085 47 H SER 6 HN SER 6 -7.896 -1.484 -15.008 48 HA SER 6 HA SER 6 -7.472 -3.667 -16.719 49 HB2 SER 6 HB2 SER 6 -9.414 -2.154 -16.909 50 HB3 SER 6 HB1 SER 6 -8.352 -0.858 -17.456 51 HG SER 6 HG SER 6 -7.954 -1.979 -19.318 52 H LYS 7 HN LYS 7 -6.176 -3.966 -18.474 53 HA LYS 7 HA LYS 7 -3.892 -2.125 -18.754 54 HB2 LYS 7 HB2 LYS 7 -2.471 -4.113 -19.195 55 HB3 LYS 7 HB1 LYS 7 -3.133 -4.102 -17.567 56 HG2 LYS 7 HG2 LYS 7 -4.822 -5.744 -18.233 57 HG3 LYS 7 HG1 LYS 7 -4.188 -5.737 -19.881 58 HD2 LYS 7 HD2 LYS 7 -3.350 -7.671 -18.631 59 HD3 LYS 7 HD1 LYS 7 -2.034 -6.581 -19.066 60 HE2 LYS 7 HE2 LYS 7 -2.109 -5.621 -16.787 61 HE3 LYS 7 HE1 LYS 7 -3.386 -6.761 -16.368 62 HZ1 LYS 7 HZ1 LYS 7 -0.666 -7.554 -17.259 63 HZ2 LYS 7 HZ2 LYS 7 -1.881 -8.578 -16.682 64 HZ3 LYS 7 HZ3 LYS 7 -1.151 -7.468 -15.641 65 HA PRO 8 HA PRO 8 -4.836 -1.861 -23.037 66 HB2 PRO 8 HB2 PRO 8 -1.926 -1.858 -23.599 67 HB3 PRO 8 HB1 PRO 8 -3.131 -0.604 -23.899 68 HG2 PRO 8 HG2 PRO 8 -1.312 -0.331 -21.959 69 HG3 PRO 8 HG1 PRO 8 -2.978 0.249 -21.750 70 HD2 PRO 8 HD2 PRO 8 -1.705 -2.265 -20.713 71 HD3 PRO 8 HD1 PRO 8 -2.793 -1.130 -19.883 72 H CYS 9 HN CYS 9 -3.967 -2.730 -25.257 73 HA CYS 9 HA CYS 9 -3.508 -5.635 -24.989 74 HB2 CYS 9 HB2 CYS 9 -5.011 -4.088 -27.118 75 HB3 CYS 9 HB1 CYS 9 -4.636 -5.805 -27.229 76 HG CYS 9 HG CYS 9 -6.368 -4.635 -24.554 77 H ILE 10 HN ILE 10 -2.685 -6.476 -27.282 78 HA ILE 10 HA ILE 10 -0.041 -5.676 -27.603 79 HB ILE 10 HB ILE 10 0.042 -7.011 -29.640 80 HG12 ILE 10 HG12 ILE 10 -2.185 -6.283 -30.564 81 HG13 ILE 10 HG11 ILE 10 -1.879 -8.008 -30.687 82 HG21 ILE 10 HG21 ILE 10 0.129 -8.165 -27.500 83 HG22 ILE 10 HG22 ILE 10 -0.670 -9.165 -28.712 84 HG23 ILE 10 HG23 ILE 10 -1.627 -8.323 -27.493 85 HD11 ILE 10 HD11 ILE 10 -3.324 -8.397 -28.755 86 HD12 ILE 10 HD12 ILE 10 -4.169 -7.574 -30.064 87 HD13 ILE 10 HD13 ILE 10 -3.640 -6.662 -28.651 88 H SER 11 HN SER 11 0.971 -4.908 -29.651 89 HA SER 11 HA SER 11 0.039 -2.274 -30.185 90 HB2 SER 11 HB2 SER 11 2.236 -3.805 -31.607 91 HB3 SER 11 HB1 SER 11 2.047 -2.054 -31.526 92 HG SER 11 HG SER 11 3.583 -3.131 -30.007 93 H ASP 12 HN ASP 12 -0.289 -1.366 -32.336 94 HA ASP 12 HA ASP 12 -2.376 -2.543 -33.745 95 HB2 ASP 12 HB2 ASP 12 -2.018 -0.795 -35.438 96 HB3 ASP 12 HB1 ASP 12 -1.889 -0.129 -33.813 97 H LYS 13 HN LYS 13 1.075 -2.661 -34.293 98 HA LYS 13 HA LYS 13 1.238 -3.860 -36.781 99 HB2 LYS 13 HB2 LYS 13 2.933 -4.435 -34.334 100 HB3 LYS 13 HB1 LYS 13 3.388 -4.795 -35.994 101 HG2 LYS 13 HG2 LYS 13 3.559 -2.475 -36.537 102 HG3 LYS 13 HG1 LYS 13 2.821 -2.004 -35.004 103 HD2 LYS 13 HD2 LYS 13 5.264 -1.687 -34.981 104 HD3 LYS 13 HD1 LYS 13 4.742 -2.869 -33.780 105 HE2 LYS 13 HE2 LYS 13 5.361 -4.683 -35.360 106 HE3 LYS 13 HE1 LYS 13 5.964 -3.461 -36.479 107 HZ1 LYS 13 HZ1 LYS 13 7.617 -2.817 -34.896 108 HZ2 LYS 13 HZ2 LYS 13 7.701 -4.500 -35.083 109 HZ3 LYS 13 HZ3 LYS 13 6.971 -3.837 -33.714 110 H GLU 14 HN GLU 14 0.514 -5.270 -33.654 111 HA GLU 14 HA GLU 14 0.507 -7.990 -34.706 112 HB2 GLU 14 HB2 GLU 14 -0.179 -7.059 -31.906 113 HB3 GLU 14 HB1 GLU 14 0.266 -8.684 -32.413 114 HG2 GLU 14 HG2 GLU 14 2.069 -6.267 -32.411 115 HG3 GLU 14 HG1 GLU 14 2.089 -7.578 -31.234 116 H CYS 15 HN CYS 15 -1.668 -5.425 -33.882 117 HA CYS 15 HA CYS 15 -4.037 -7.061 -33.715 118 HB2 CYS 15 HB2 CYS 15 -3.818 -4.063 -34.061 119 HB3 CYS 15 HB1 CYS 15 -5.222 -4.957 -33.486 120 HG CYS 15 HG CYS 15 -2.343 -5.264 -31.738 121 H SER 16 HN SER 16 -2.195 -6.610 -36.270 122 HA SER 16 HA SER 16 -4.349 -6.010 -38.171 123 HB2 SER 16 HB2 SER 16 -1.352 -6.122 -38.590 124 HB3 SER 16 HB1 SER 16 -2.543 -5.705 -39.822 125 HG SER 16 HG SER 16 -2.030 -4.296 -37.407 126 H ILE 17 HN ILE 17 -3.810 -7.275 -40.385 127 HA ILE 17 HA ILE 17 -4.800 -9.859 -39.806 128 HB ILE 17 HB ILE 17 -4.799 -10.245 -42.231 129 HG12 ILE 17 HG12 ILE 17 -3.387 -7.564 -42.399 130 HG13 ILE 17 HG11 ILE 17 -2.664 -9.124 -42.774 131 HG21 ILE 17 HG21 ILE 17 -5.771 -7.491 -41.446 132 HG22 ILE 17 HG22 ILE 17 -6.646 -9.006 -41.224 133 HG23 ILE 17 HG23 ILE 17 -6.316 -8.410 -42.851 134 HD11 ILE 17 HD11 ILE 17 -4.935 -7.810 -44.251 135 HD12 ILE 17 HD12 ILE 17 -4.254 -9.394 -44.623 136 HD13 ILE 17 HD13 ILE 17 -3.262 -7.946 -44.793 137 H VAL 18 HN VAL 18 -1.658 -8.817 -39.688 138 HA VAL 18 HA VAL 18 -0.145 -10.895 -40.754 139 HB VAL 18 HB VAL 18 0.389 -9.532 -38.098 140 HG11 VAL 18 HG11 VAL 18 2.282 -10.807 -40.082 141 HG12 VAL 18 HG12 VAL 18 1.805 -11.473 -38.520 142 HG13 VAL 18 HG13 VAL 18 2.743 -9.982 -38.592 143 HG21 VAL 18 HG21 VAL 18 1.140 -8.611 -40.881 144 HG22 VAL 18 HG22 VAL 18 1.675 -7.866 -39.374 145 HG23 VAL 18 HG23 VAL 18 -0.032 -7.848 -39.806 146 H LYS 19 HN LYS 19 -2.024 -10.702 -37.796 147 HA LYS 19 HA LYS 19 -1.326 -13.462 -37.071 148 HB2 LYS 19 HB2 LYS 19 -2.504 -11.166 -35.520 149 HB3 LYS 19 HB1 LYS 19 -2.690 -12.817 -34.952 150 HG2 LYS 19 HG2 LYS 19 -0.826 -11.792 -33.839 151 HG3 LYS 19 HG1 LYS 19 -0.241 -13.067 -34.907 152 HD2 LYS 19 HD2 LYS 19 0.456 -11.408 -36.554 153 HD3 LYS 19 HD1 LYS 19 -0.214 -10.109 -35.561 154 HE2 LYS 19 HE2 LYS 19 1.374 -10.655 -33.777 155 HE3 LYS 19 HE1 LYS 19 2.037 -11.959 -34.762 156 HZ1 LYS 19 HZ1 LYS 19 2.042 -9.128 -35.649 157 HZ2 LYS 19 HZ2 LYS 19 2.921 -10.423 -36.296 158 HZ3 LYS 19 HZ3 LYS 19 3.308 -9.811 -34.772 159 H ASN 20 HN ASN 20 -3.351 -12.264 -39.131 160 HA ASN 20 HA ASN 20 -5.201 -13.059 -40.166 161 HB2 ASN 20 HB2 ASN 20 -5.477 -15.268 -39.932 162 HB3 ASN 20 HB1 ASN 20 -4.515 -15.233 -38.464 163 HD21 ASN 20 HD21 ASN 20 -5.572 -15.150 -36.453 164 HD22 ASN 20 HD22 ASN 20 -7.233 -15.605 -36.292 165 H TYR 21 HN TYR 21 -5.131 -11.654 -37.158 166 HA TYR 21 HA TYR 21 -8.028 -11.336 -36.928 167 HB2 TYR 21 HB2 TYR 21 -5.742 -10.501 -35.125 168 HB3 TYR 21 HB1 TYR 21 -7.422 -10.063 -34.825 169 HD1 TYR 21 HD1 TYR 21 -4.925 -12.666 -34.552 170 HD2 TYR 21 HD2 TYR 21 -9.108 -11.886 -34.405 171 HE1 TYR 21 HE1 TYR 21 -5.284 -14.816 -33.412 172 HE2 TYR 21 HE2 TYR 21 -9.472 -14.030 -33.259 173 HH TYR 21 HH TYR 21 -8.375 -16.191 -33.005 174 H ARG 22 HN ARG 22 -8.695 -9.009 -36.258 175 HA ARG 22 HA ARG 22 -7.265 -6.905 -37.636 176 HB2 ARG 22 HB2 ARG 22 -9.275 -6.309 -39.037 177 HB3 ARG 22 HB1 ARG 22 -8.438 -7.776 -39.526 178 HG2 ARG 22 HG2 ARG 22 -10.156 -9.104 -38.314 179 HG3 ARG 22 HG1 ARG 22 -11.022 -7.604 -37.978 180 HD2 ARG 22 HD2 ARG 22 -11.285 -7.213 -40.376 181 HD3 ARG 22 HD1 ARG 22 -10.387 -8.691 -40.724 182 HE ARG 22 HE ARG 22 -12.974 -8.660 -39.294 183 HH11 ARG 22 HH11 ARG 22 -10.814 -10.052 -41.673 184 HH12 ARG 22 HH12 ARG 22 -11.871 -11.372 -42.050 185 HH21 ARG 22 HH21 ARG 22 -14.383 -10.361 -39.802 186 HH22 ARG 22 HH22 ARG 22 -13.925 -11.544 -40.988 187 H ALA 23 HN ALA 23 -7.165 -5.697 -35.830 188 HA ALA 23 HA ALA 23 -9.689 -4.590 -34.814 189 HB1 ALA 23 HB1 ALA 23 -7.408 -5.498 -33.049 190 HB2 ALA 23 HB2 ALA 23 -8.956 -6.325 -33.222 191 HB3 ALA 23 HB3 ALA 23 -8.895 -4.711 -32.513 192 H ARG 24 HN ARG 24 -9.303 -2.527 -33.606 193 HA ARG 24 HA ARG 24 -7.080 -1.042 -34.847 194 HB2 ARG 24 HB2 ARG 24 -9.461 -0.267 -35.246 195 HB3 ARG 24 HB1 ARG 24 -9.559 0.109 -33.529 196 HG2 ARG 24 HG2 ARG 24 -7.688 1.689 -33.783 197 HG3 ARG 24 HG1 ARG 24 -7.633 1.325 -35.509 198 HD2 ARG 24 HD2 ARG 24 -10.072 2.052 -35.587 199 HD3 ARG 24 HD1 ARG 24 -9.820 2.703 -33.965 200 HE ARG 24 HE ARG 24 -7.927 3.569 -35.993 201 HH11 ARG 24 HH11 ARG 24 -10.798 4.343 -34.129 202 HH12 ARG 24 HH12 ARG 24 -10.813 6.005 -34.617 203 HH21 ARG 24 HH21 ARG 24 -7.950 5.757 -36.627 204 HH22 ARG 24 HH22 ARG 24 -9.186 6.817 -36.020 205 H CYS 25 HN CYS 25 -5.385 -0.843 -33.556 206 HA CYS 25 HA CYS 25 -5.829 -0.509 -30.660 207 HB2 CYS 25 HB2 CYS 25 -3.532 -1.868 -32.088 208 HB3 CYS 25 HB1 CYS 25 -3.603 -1.579 -30.351 209 HG CYS 25 HG CYS 25 -4.406 -4.027 -30.109 210 H ARG 26 HN ARG 26 -5.317 1.393 -29.928 211 HA ARG 26 HA ARG 26 -3.221 2.994 -31.227 212 HB2 ARG 26 HB2 ARG 26 -5.323 3.730 -32.186 213 HB3 ARG 26 HB1 ARG 26 -6.048 3.870 -30.592 214 HG2 ARG 26 HG2 ARG 26 -4.597 5.733 -30.052 215 HG3 ARG 26 HG1 ARG 26 -3.755 5.554 -31.595 216 HD2 ARG 26 HD2 ARG 26 -5.733 6.146 -32.818 217 HD3 ARG 26 HD1 ARG 26 -6.714 6.108 -31.353 218 HE ARG 26 HE ARG 26 -4.950 8.004 -30.731 219 HH11 ARG 26 HH11 ARG 26 -6.721 7.495 -33.721 220 HH12 ARG 26 HH12 ARG 26 -6.907 9.192 -34.038 221 HH21 ARG 26 HH21 ARG 26 -5.173 10.235 -31.176 222 HH22 ARG 26 HH22 ARG 26 -6.018 10.743 -32.606 223 H LYS 27 HN LYS 27 -1.783 3.520 -29.746 224 HA LYS 27 HA LYS 27 -0.764 3.936 -27.766 225 HB2 LYS 27 HB2 LYS 27 -3.409 5.315 -27.240 226 HB3 LYS 27 HB1 LYS 27 -2.006 5.463 -26.187 227 HG2 LYS 27 HG2 LYS 27 -2.155 6.308 -29.081 228 HG3 LYS 27 HG1 LYS 27 -2.163 7.376 -27.673 229 HD2 LYS 27 HD2 LYS 27 0.079 6.632 -27.068 230 HD3 LYS 27 HD1 LYS 27 0.086 5.496 -28.418 231 HE2 LYS 27 HE2 LYS 27 -0.035 7.344 -29.998 232 HE3 LYS 27 HE1 LYS 27 -0.100 8.499 -28.667 233 HZ1 LYS 27 HZ1 LYS 27 2.105 7.730 -27.976 234 HZ2 LYS 27 HZ2 LYS 27 2.120 8.366 -29.539 235 HZ3 LYS 27 HZ3 LYS 27 2.166 6.691 -29.308 236 H GLY 28 HN GLY 28 -2.117 1.449 -28.090 237 HA2 GLY 28 HA2 GLY 28 -2.074 -0.410 -26.657 238 HA3 GLY 28 HA1 GLY 28 -2.216 0.667 -25.277 239 H TYR 29 HN TYR 29 -4.513 2.032 -26.814 240 HA TYR 29 HA TYR 29 -6.588 0.543 -25.539 241 HB2 TYR 29 HB2 TYR 29 -6.376 3.131 -26.162 242 HB3 TYR 29 HB1 TYR 29 -7.199 2.611 -27.626 243 HD1 TYR 29 HD1 TYR 29 -7.458 2.766 -23.947 244 HD2 TYR 29 HD2 TYR 29 -9.550 2.162 -27.604 245 HE1 TYR 29 HE1 TYR 29 -9.598 2.932 -22.741 246 HE2 TYR 29 HE2 TYR 29 -11.696 2.319 -26.410 247 HH TYR 29 HH TYR 29 -11.911 3.418 -23.153 248 H CYS 30 HN CYS 30 -7.835 -1.034 -26.374 249 HA CYS 30 HA CYS 30 -7.420 -1.741 -29.205 250 HB2 CYS 30 HB2 CYS 30 -8.030 -4.110 -28.216 251 HB3 CYS 30 HB1 CYS 30 -6.396 -3.472 -28.054 252 HG CYS 30 HG CYS 30 -8.252 -4.606 -25.721 253 H VAL 31 HN VAL 31 -9.153 -1.490 -30.423 254 HA VAL 31 HA VAL 31 -11.793 -2.224 -29.354 255 HB VAL 31 HB VAL 31 -12.814 -0.308 -30.617 256 HG11 VAL 31 HG11 VAL 31 -10.889 0.461 -28.419 257 HG12 VAL 31 HG12 VAL 31 -12.524 -0.167 -28.202 258 HG13 VAL 31 HG13 VAL 31 -12.277 1.411 -28.950 259 HG21 VAL 31 HG21 VAL 31 -10.985 0.163 -32.165 260 HG22 VAL 31 HG22 VAL 31 -9.956 0.661 -30.822 261 HG23 VAL 31 HG23 VAL 31 -11.391 1.602 -31.228 262 H ARG 32 HN ARG 32 -12.841 -3.597 -30.676 263 HA ARG 32 HA ARG 32 -11.792 -4.088 -33.350 264 HB2 ARG 32 HB2 ARG 32 -12.527 -5.914 -31.677 265 HB3 ARG 32 HB1 ARG 32 -14.174 -5.462 -32.086 266 HG2 ARG 32 HG2 ARG 32 -12.168 -6.302 -34.176 267 HG3 ARG 32 HG1 ARG 32 -13.170 -7.462 -33.305 268 HD2 ARG 32 HD2 ARG 32 -14.187 -5.173 -34.999 269 HD3 ARG 32 HD1 ARG 32 -14.132 -6.867 -35.485 270 HE ARG 32 HE ARG 32 -15.630 -7.167 -33.401 271 HH11 ARG 32 HH11 ARG 32 -15.724 -4.465 -35.626 272 HH12 ARG 32 HH12 ARG 32 -17.395 -4.109 -35.312 273 HH21 ARG 32 HH21 ARG 32 -17.830 -6.710 -33.012 274 HH22 ARG 32 HH22 ARG 32 -18.595 -5.399 -33.857 275 H ARG 33 HN ARG 33 -12.471 -2.830 -34.939 276 HA ARG 33 HA ARG 33 -14.974 -1.337 -34.608 277 HB2 ARG 33 HB2 ARG 33 -12.547 -0.841 -36.345 278 HB3 ARG 33 HB1 ARG 33 -13.981 0.176 -36.335 279 HG2 ARG 33 HG2 ARG 33 -12.255 -0.333 -33.913 280 HG3 ARG 33 HG1 ARG 33 -12.083 1.059 -34.986 281 HD2 ARG 33 HD2 ARG 33 -14.535 0.338 -33.373 282 HD3 ARG 33 HD1 ARG 33 -13.398 1.640 -33.015 283 HE ARG 33 HE ARG 33 -14.209 2.246 -35.514 284 HH11 ARG 33 HH11 ARG 33 -15.944 1.549 -32.549 285 HH12 ARG 33 HH12 ARG 33 -17.341 2.476 -33.005 286 HH21 ARG 33 HH21 ARG 33 -16.027 3.479 -36.105 287 HH22 ARG 33 HH22 ARG 33 -17.391 3.566 -35.036 288 H ARG 34 HN ARG 34 -16.025 -0.707 -36.727 289 HA ARG 34 HA ARG 34 -16.008 -2.909 -38.700 290 HB2 ARG 34 HB2 ARG 34 -18.248 -1.063 -37.828 291 HB3 ARG 34 HB1 ARG 34 -18.337 -2.059 -39.273 292 HG2 ARG 34 HG2 ARG 34 -18.005 -3.101 -36.458 293 HG3 ARG 34 HG1 ARG 34 -19.521 -3.050 -37.363 294 HD2 ARG 34 HD2 ARG 34 -17.050 -4.659 -38.004 295 HD3 ARG 34 HD1 ARG 34 -18.637 -5.268 -37.530 296 HE ARG 34 HE ARG 34 -19.069 -3.815 -39.826 297 HH11 ARG 34 HH11 ARG 34 -17.256 -6.660 -38.912 298 HH12 ARG 34 HH12 ARG 34 -17.178 -7.285 -40.531 299 HH21 ARG 34 HH21 ARG 34 -18.996 -4.643 -41.952 300 HH22 ARG 34 HH22 ARG 34 -18.187 -6.150 -42.258 301 H ILE 35 HN ILE 35 -16.132 -2.255 -40.944 302 HA ILE 35 HA ILE 35 -14.885 0.198 -41.585 303 HB ILE 35 HB ILE 35 -14.558 -1.719 -43.020 304 HG12 ILE 35 HG12 ILE 35 -16.234 0.377 -44.405 305 HG13 ILE 35 HG11 ILE 35 -14.521 0.512 -44.038 306 HG21 ILE 35 HG21 ILE 35 -16.671 -2.870 -42.611 307 HG22 ILE 35 HG22 ILE 35 -16.376 -2.710 -44.342 308 HG23 ILE 35 HG23 ILE 35 -17.537 -1.648 -43.543 309 HD11 ILE 35 HD11 ILE 35 -15.775 -1.484 -45.912 310 HD12 ILE 35 HD12 ILE 35 -14.055 -1.357 -45.540 311 HD13 ILE 35 HD13 ILE 35 -14.877 -0.039 -46.375 312 H ARG 36 HN ARG 36 -18.183 -0.995 -41.531 313 HA ARG 36 HA ARG 36 -19.177 1.726 -42.082 314 HB2 ARG 36 HB2 ARG 36 -19.724 0.187 -43.917 315 HB3 ARG 36 HB1 ARG 36 -20.455 -0.935 -42.779 316 HG2 ARG 36 HG2 ARG 36 -22.198 0.687 -42.262 317 HG3 ARG 36 HG1 ARG 36 -21.443 1.860 -43.343 318 HD2 ARG 36 HD2 ARG 36 -22.625 -0.807 -44.134 319 HD3 ARG 36 HD1 ARG 36 -23.323 0.784 -44.447 320 HE ARG 36 HE ARG 36 -20.812 0.857 -45.564 321 HH11 ARG 36 HH11 ARG 36 -23.665 -1.137 -45.984 322 HH12 ARG 36 HH12 ARG 36 -23.352 -1.431 -47.669 323 HH21 ARG 36 HH21 ARG 36 -20.406 0.465 -47.761 324 HH22 ARG 36 HH22 ARG 36 -21.507 -0.521 -48.678 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -0.551 1.860 -1.403 2 H2 ALA 1 HT2 ALA 1 -0.829 2.536 -2.924 3 H3 ALA 1 HT3 ALA 1 0.019 3.409 -1.751 4 HA ALA 1 HA ALA 1 1.512 2.519 -3.410 5 HB1 ALA 1 HB1 ALA 1 2.328 2.813 -1.117 6 HB2 ALA 1 HB2 ALA 1 3.089 1.425 -1.894 7 HB3 ALA 1 HB3 ALA 1 1.800 1.178 -0.716 8 H PHE 2 HN PHE 2 0.346 1.303 -4.953 9 HA PHE 2 HA PHE 2 0.854 -1.552 -4.787 10 HB2 PHE 2 HB2 PHE 2 -1.422 -1.331 -3.844 11 HB3 PHE 2 HB1 PHE 2 -1.936 -0.457 -5.281 12 HD1 PHE 2 HD1 PHE 2 -0.788 -3.747 -4.031 13 HD2 PHE 2 HD2 PHE 2 -2.614 -1.617 -7.240 14 HE1 PHE 2 HE1 PHE 2 -1.436 -5.877 -5.076 15 HE2 PHE 2 HE2 PHE 2 -3.266 -3.746 -8.287 16 HZ PHE 2 HZ PHE 2 -2.680 -5.880 -7.205 17 H ILE 3 HN ILE 3 1.807 -2.055 -6.652 18 HA ILE 3 HA ILE 3 2.044 -0.337 -8.842 19 HB ILE 3 HB ILE 3 2.376 -3.351 -8.855 20 HG12 ILE 3 HG12 ILE 3 4.405 -1.158 -8.324 21 HG13 ILE 3 HG11 ILE 3 3.743 -2.253 -7.116 22 HG21 ILE 3 HG21 ILE 3 3.493 -1.247 -10.719 23 HG22 ILE 3 HG22 ILE 3 2.236 -2.423 -11.107 24 HG23 ILE 3 HG23 ILE 3 3.877 -2.967 -10.762 25 HD11 ILE 3 HD11 ILE 3 5.958 -2.942 -7.764 26 HD12 ILE 3 HD12 ILE 3 5.473 -3.014 -9.458 27 HD13 ILE 3 HD13 ILE 3 4.778 -4.142 -8.292 28 H GLN 4 HN GLN 4 0.399 0.344 -10.047 29 HA GLN 4 HA GLN 4 -2.022 -1.108 -10.410 30 HB2 GLN 4 HB2 GLN 4 -0.969 1.332 -11.865 31 HB3 GLN 4 HB1 GLN 4 -2.619 0.730 -11.956 32 HG2 GLN 4 HG2 GLN 4 -1.263 1.712 -9.452 33 HG3 GLN 4 HG1 GLN 4 -2.384 2.646 -10.441 34 HE21 GLN 4 HE21 GLN 4 -2.524 1.752 -7.625 35 HE22 GLN 4 HE22 GLN 4 -4.018 0.891 -7.491 36 H LEU 5 HN LEU 5 -1.727 -3.037 -11.425 37 HA LEU 5 HA LEU 5 -0.196 -3.385 -13.793 38 HB2 LEU 5 HB2 LEU 5 -0.712 -5.256 -12.301 39 HB3 LEU 5 HB1 LEU 5 -2.425 -5.064 -12.624 40 HG LEU 5 HG LEU 5 -1.993 -5.646 -15.018 41 HD11 LEU 5 HD11 LEU 5 0.143 -6.694 -15.609 42 HD12 LEU 5 HD12 LEU 5 0.784 -6.288 -14.018 43 HD13 LEU 5 HD13 LEU 5 0.354 -5.004 -15.148 44 HD21 LEU 5 HD21 LEU 5 -2.778 -7.330 -13.414 45 HD22 LEU 5 HD22 LEU 5 -1.105 -7.728 -13.019 46 HD23 LEU 5 HD23 LEU 5 -1.725 -8.034 -14.641 47 H SER 6 HN SER 6 -0.815 -1.862 -15.316 48 HA SER 6 HA SER 6 -3.535 -1.533 -16.147 49 HB2 SER 6 HB2 SER 6 -1.798 0.227 -16.430 50 HB3 SER 6 HB1 SER 6 -0.991 -0.781 -17.629 51 HG SER 6 HG SER 6 -3.250 0.776 -17.840 52 H LYS 7 HN LYS 7 -4.488 -2.293 -18.063 53 HA LYS 7 HA LYS 7 -3.124 -4.597 -19.300 54 HB2 LYS 7 HB2 LYS 7 -4.862 -5.405 -17.744 55 HB3 LYS 7 HB1 LYS 7 -6.065 -4.442 -18.594 56 HG2 LYS 7 HG2 LYS 7 -5.596 -5.744 -20.654 57 HG3 LYS 7 HG1 LYS 7 -4.487 -6.751 -19.727 58 HD2 LYS 7 HD2 LYS 7 -6.529 -7.945 -19.864 59 HD3 LYS 7 HD1 LYS 7 -6.435 -7.316 -18.220 60 HE2 LYS 7 HE2 LYS 7 -7.954 -5.947 -20.441 61 HE3 LYS 7 HE1 LYS 7 -8.685 -7.122 -19.352 62 HZ1 LYS 7 HZ1 LYS 7 -8.020 -5.654 -17.492 63 HZ2 LYS 7 HZ2 LYS 7 -9.139 -4.953 -18.542 64 HZ3 LYS 7 HZ3 LYS 7 -7.519 -4.495 -18.616 65 HA PRO 8 HA PRO 8 -4.478 -2.209 -22.901 66 HB2 PRO 8 HB2 PRO 8 -2.415 -2.830 -24.486 67 HB3 PRO 8 HB1 PRO 8 -2.218 -1.667 -23.168 68 HG2 PRO 8 HG2 PRO 8 -1.429 -4.554 -23.281 69 HG3 PRO 8 HG1 PRO 8 -0.536 -3.177 -22.610 70 HD2 PRO 8 HD2 PRO 8 -2.056 -4.958 -21.120 71 HD3 PRO 8 HD1 PRO 8 -1.618 -3.321 -20.594 72 H CYS 9 HN CYS 9 -4.282 -3.137 -25.329 73 HA CYS 9 HA CYS 9 -5.384 -5.871 -25.356 74 HB2 CYS 9 HB2 CYS 9 -5.792 -3.696 -27.431 75 HB3 CYS 9 HB1 CYS 9 -6.640 -5.234 -27.322 76 HG CYS 9 HG CYS 9 -7.902 -4.479 -24.860 77 H ILE 10 HN ILE 10 -5.090 -6.587 -27.912 78 HA ILE 10 HA ILE 10 -2.409 -7.010 -28.493 79 HB ILE 10 HB ILE 10 -4.554 -6.614 -30.587 80 HG12 ILE 10 HG12 ILE 10 -3.883 -9.131 -29.030 81 HG13 ILE 10 HG11 ILE 10 -5.349 -8.175 -28.842 82 HG21 ILE 10 HG21 ILE 10 -2.294 -6.782 -31.477 83 HG22 ILE 10 HG22 ILE 10 -3.239 -8.209 -31.899 84 HG23 ILE 10 HG23 ILE 10 -2.047 -8.292 -30.601 85 HD11 ILE 10 HD11 ILE 10 -4.522 -9.699 -31.302 86 HD12 ILE 10 HD12 ILE 10 -5.971 -8.705 -31.157 87 HD13 ILE 10 HD13 ILE 10 -5.788 -10.147 -30.159 88 H SER 11 HN SER 11 -0.870 -5.838 -29.663 89 HA SER 11 HA SER 11 -1.122 -3.010 -29.308 90 HB2 SER 11 HB2 SER 11 1.155 -4.599 -30.520 91 HB3 SER 11 HB1 SER 11 1.233 -2.927 -29.968 92 HG SER 11 HG SER 11 0.760 -3.674 -27.857 93 H ASP 12 HN ASP 12 -0.499 -1.421 -30.947 94 HA ASP 12 HA ASP 12 -2.200 -1.303 -33.108 95 HB2 ASP 12 HB2 ASP 12 0.534 0.015 -32.987 96 HB3 ASP 12 HB1 ASP 12 -0.847 0.551 -33.935 97 H LYS 13 HN LYS 13 1.207 -2.199 -33.084 98 HA LYS 13 HA LYS 13 1.570 -2.562 -35.845 99 HB2 LYS 13 HB2 LYS 13 3.055 -3.891 -33.564 100 HB3 LYS 13 HB1 LYS 13 3.645 -3.690 -35.208 101 HG2 LYS 13 HG2 LYS 13 3.871 -1.344 -34.944 102 HG3 LYS 13 HG1 LYS 13 2.952 -1.353 -33.437 103 HD2 LYS 13 HD2 LYS 13 5.656 -2.646 -33.856 104 HD3 LYS 13 HD1 LYS 13 5.370 -1.107 -33.042 105 HE2 LYS 13 HE2 LYS 13 4.063 -2.220 -31.323 106 HE3 LYS 13 HE1 LYS 13 4.240 -3.765 -32.153 107 HZ1 LYS 13 HZ1 LYS 13 5.778 -3.593 -30.319 108 HZ2 LYS 13 HZ2 LYS 13 6.436 -2.169 -30.950 109 HZ3 LYS 13 HZ3 LYS 13 6.636 -3.627 -31.777 110 H GLU 14 HN GLU 14 0.038 -4.545 -33.504 111 HA GLU 14 HA GLU 14 0.485 -7.002 -35.036 112 HB2 GLU 14 HB2 GLU 14 -0.746 -6.618 -32.297 113 HB3 GLU 14 HB1 GLU 14 -0.373 -8.160 -33.058 114 HG2 GLU 14 HG2 GLU 14 1.626 -6.053 -32.248 115 HG3 GLU 14 HG1 GLU 14 1.294 -7.557 -31.388 116 H CYS 15 HN CYS 15 -2.075 -4.818 -33.991 117 HA CYS 15 HA CYS 15 -4.186 -6.549 -34.917 118 HB2 CYS 15 HB2 CYS 15 -4.311 -3.623 -34.143 119 HB3 CYS 15 HB1 CYS 15 -5.689 -4.696 -34.372 120 HG CYS 15 HG CYS 15 -5.745 -5.655 -31.990 121 H SER 16 HN SER 16 -3.022 -3.321 -35.949 122 HA SER 16 HA SER 16 -4.715 -3.467 -38.281 123 HB2 SER 16 HB2 SER 16 -4.390 -1.361 -36.945 124 HB3 SER 16 HB1 SER 16 -2.735 -1.295 -37.543 125 HG SER 16 HG SER 16 -3.959 -0.034 -38.875 126 H ILE 17 HN ILE 17 -3.658 -5.327 -39.187 127 HA ILE 17 HA ILE 17 -1.300 -4.596 -40.808 128 HB ILE 17 HB ILE 17 -2.484 -7.342 -40.270 129 HG12 ILE 17 HG12 ILE 17 -1.310 -6.414 -38.312 130 HG13 ILE 17 HG11 ILE 17 -0.428 -7.774 -38.995 131 HG21 ILE 17 HG21 ILE 17 -0.025 -6.566 -41.848 132 HG22 ILE 17 HG22 ILE 17 -1.523 -7.231 -42.500 133 HG23 ILE 17 HG23 ILE 17 -0.506 -8.217 -41.450 134 HD11 ILE 17 HD11 ILE 17 1.069 -5.984 -38.332 135 HD12 ILE 17 HD12 ILE 17 0.229 -4.865 -39.405 136 HD13 ILE 17 HD13 ILE 17 1.121 -6.231 -40.077 137 H VAL 18 HN VAL 18 -4.506 -6.054 -40.852 138 HA VAL 18 HA VAL 18 -4.793 -5.392 -43.695 139 HB VAL 18 HB VAL 18 -6.864 -6.752 -43.614 140 HG11 VAL 18 HG11 VAL 18 -5.787 -8.940 -43.443 141 HG12 VAL 18 HG12 VAL 18 -4.425 -8.216 -42.590 142 HG13 VAL 18 HG13 VAL 18 -4.738 -7.789 -44.273 143 HG21 VAL 18 HG21 VAL 18 -7.306 -8.175 -41.638 144 HG22 VAL 18 HG22 VAL 18 -7.479 -6.456 -41.283 145 HG23 VAL 18 HG23 VAL 18 -6.033 -7.322 -40.762 146 H LYS 19 HN LYS 19 -6.144 -3.815 -44.345 147 HA LYS 19 HA LYS 19 -7.496 -2.240 -42.254 148 HB2 LYS 19 HB2 LYS 19 -6.396 -1.491 -44.972 149 HB3 LYS 19 HB1 LYS 19 -7.503 -0.443 -44.097 150 HG2 LYS 19 HG2 LYS 19 -5.268 0.318 -43.711 151 HG3 LYS 19 HG1 LYS 19 -5.885 -0.375 -42.213 152 HD2 LYS 19 HD2 LYS 19 -4.641 -2.450 -42.667 153 HD3 LYS 19 HD1 LYS 19 -4.024 -1.751 -44.165 154 HE2 LYS 19 HE2 LYS 19 -3.529 -0.660 -41.387 155 HE3 LYS 19 HE1 LYS 19 -2.387 -1.626 -42.321 156 HZ1 LYS 19 HZ1 LYS 19 -2.321 0.106 -43.989 157 HZ2 LYS 19 HZ2 LYS 19 -1.929 0.752 -42.474 158 HZ3 LYS 19 HZ3 LYS 19 -3.459 1.019 -43.136 159 H ASN 20 HN ASN 20 -8.749 -4.528 -43.040 160 HA ASN 20 HA ASN 20 -11.101 -3.511 -44.444 161 HB2 ASN 20 HB2 ASN 20 -11.312 -5.762 -45.594 162 HB3 ASN 20 HB1 ASN 20 -10.019 -4.727 -46.187 163 HD21 ASN 20 HD21 ASN 20 -10.789 -7.638 -44.419 164 HD22 ASN 20 HD22 ASN 20 -9.189 -8.307 -44.437 165 H TYR 21 HN TYR 21 -12.278 -3.378 -42.616 166 HA TYR 21 HA TYR 21 -13.652 -4.017 -40.925 167 HB2 TYR 21 HB2 TYR 21 -14.785 -5.196 -42.705 168 HB3 TYR 21 HB1 TYR 21 -13.665 -6.544 -42.589 169 HD1 TYR 21 HD1 TYR 21 -14.149 -8.364 -41.211 170 HD2 TYR 21 HD2 TYR 21 -16.317 -4.739 -40.674 171 HE1 TYR 21 HE1 TYR 21 -15.663 -9.508 -39.656 172 HE2 TYR 21 HE2 TYR 21 -17.839 -5.881 -39.110 173 HH TYR 21 HH TYR 21 -18.601 -8.191 -38.637 174 H ARG 22 HN ARG 22 -11.985 -3.850 -39.354 175 HA ARG 22 HA ARG 22 -11.427 -6.330 -37.981 176 HB2 ARG 22 HB2 ARG 22 -9.597 -5.808 -39.829 177 HB3 ARG 22 HB1 ARG 22 -9.001 -4.681 -38.620 178 HG2 ARG 22 HG2 ARG 22 -7.823 -6.799 -38.488 179 HG3 ARG 22 HG1 ARG 22 -8.764 -6.520 -37.019 180 HD2 ARG 22 HD2 ARG 22 -8.881 -8.862 -37.956 181 HD3 ARG 22 HD1 ARG 22 -10.435 -8.074 -37.684 182 HE ARG 22 HE ARG 22 -10.563 -7.675 -40.081 183 HH11 ARG 22 HH11 ARG 22 -8.189 -10.022 -39.015 184 HH12 ARG 22 HH12 ARG 22 -8.115 -10.829 -40.549 185 HH21 ARG 22 HH21 ARG 22 -10.468 -8.722 -42.100 186 HH22 ARG 22 HH22 ARG 22 -9.397 -10.072 -42.318 187 H ALA 23 HN ALA 23 -10.300 -5.914 -35.884 188 HA ALA 23 HA ALA 23 -11.370 -3.656 -34.530 189 HB1 ALA 23 HB1 ALA 23 -10.178 -4.496 -32.586 190 HB2 ALA 23 HB2 ALA 23 -9.221 -5.572 -33.607 191 HB3 ALA 23 HB3 ALA 23 -10.957 -5.833 -33.434 192 H ARG 24 HN ARG 24 -10.520 -1.652 -34.307 193 HA ARG 24 HA ARG 24 -7.843 -1.192 -35.410 194 HB2 ARG 24 HB2 ARG 24 -10.092 0.718 -34.730 195 HB3 ARG 24 HB1 ARG 24 -8.498 1.240 -35.265 196 HG2 ARG 24 HG2 ARG 24 -8.881 -0.184 -37.337 197 HG3 ARG 24 HG1 ARG 24 -10.561 -0.313 -36.813 198 HD2 ARG 24 HD2 ARG 24 -9.132 2.308 -37.255 199 HD3 ARG 24 HD1 ARG 24 -10.096 1.497 -38.486 200 HE ARG 24 HE ARG 24 -11.922 1.692 -36.628 201 HH11 ARG 24 HH11 ARG 24 -9.463 4.065 -37.379 202 HH12 ARG 24 HH12 ARG 24 -10.486 5.420 -37.027 203 HH21 ARG 24 HH21 ARG 24 -13.288 3.501 -36.190 204 HH22 ARG 24 HH22 ARG 24 -12.639 5.101 -36.366 205 H CYS 25 HN CYS 25 -6.361 -1.624 -33.895 206 HA CYS 25 HA CYS 25 -6.764 -0.761 -31.147 207 HB2 CYS 25 HB2 CYS 25 -4.439 -2.244 -32.395 208 HB3 CYS 25 HB1 CYS 25 -4.704 -1.990 -30.672 209 HG CYS 25 HG CYS 25 -6.933 -3.707 -32.606 210 H ARG 26 HN ARG 26 -6.019 1.093 -30.384 211 HA ARG 26 HA ARG 26 -3.755 2.404 -31.730 212 HB2 ARG 26 HB2 ARG 26 -6.241 3.763 -30.647 213 HB3 ARG 26 HB1 ARG 26 -4.798 4.603 -31.196 214 HG2 ARG 26 HG2 ARG 26 -5.187 3.446 -33.445 215 HG3 ARG 26 HG1 ARG 26 -6.792 3.052 -32.823 216 HD2 ARG 26 HD2 ARG 26 -6.852 5.104 -34.137 217 HD3 ARG 26 HD1 ARG 26 -7.223 5.438 -32.444 218 HE ARG 26 HE ARG 26 -4.442 5.768 -33.223 219 HH11 ARG 26 HH11 ARG 26 -7.534 7.351 -32.744 220 HH12 ARG 26 HH12 ARG 26 -6.836 8.930 -32.566 221 HH21 ARG 26 HH21 ARG 26 -3.526 7.826 -32.955 222 HH22 ARG 26 HH22 ARG 26 -4.552 9.195 -32.653 223 H LYS 27 HN LYS 27 -2.167 3.026 -30.432 224 HA LYS 27 HA LYS 27 -0.924 3.488 -28.598 225 HB2 LYS 27 HB2 LYS 27 -3.607 4.261 -27.415 226 HB3 LYS 27 HB1 LYS 27 -2.043 4.649 -26.709 227 HG2 LYS 27 HG2 LYS 27 -1.474 5.999 -28.656 228 HG3 LYS 27 HG1 LYS 27 -3.014 5.582 -29.409 229 HD2 LYS 27 HD2 LYS 27 -4.215 6.706 -27.595 230 HD3 LYS 27 HD1 LYS 27 -2.683 7.086 -26.806 231 HE2 LYS 27 HE2 LYS 27 -3.553 8.063 -29.530 232 HE3 LYS 27 HE1 LYS 27 -3.575 9.008 -28.041 233 HZ1 LYS 27 HZ1 LYS 27 -1.169 8.768 -27.903 234 HZ2 LYS 27 HZ2 LYS 27 -1.623 9.513 -29.350 235 HZ3 LYS 27 HZ3 LYS 27 -1.151 7.887 -29.347 236 H GLY 28 HN GLY 28 -1.918 0.833 -29.025 237 HA2 GLY 28 HA2 GLY 28 -1.464 -1.151 -27.919 238 HA3 GLY 28 HA1 GLY 28 -1.276 -0.254 -26.422 239 H TYR 29 HN TYR 29 -4.138 0.829 -27.517 240 HA TYR 29 HA TYR 29 -5.622 -1.261 -26.044 241 HB2 TYR 29 HB2 TYR 29 -6.323 1.658 -26.486 242 HB3 TYR 29 HB1 TYR 29 -7.310 0.498 -25.601 243 HD1 TYR 29 HD1 TYR 29 -4.455 2.730 -25.445 244 HD2 TYR 29 HD2 TYR 29 -6.459 -0.456 -23.444 245 HE1 TYR 29 HE1 TYR 29 -3.226 3.255 -23.384 246 HE2 TYR 29 HE2 TYR 29 -5.234 0.068 -21.378 247 HH TYR 29 HH TYR 29 -3.190 1.160 -20.673 248 H CYS 30 HN CYS 30 -7.845 -1.719 -26.825 249 HA CYS 30 HA CYS 30 -7.783 -1.766 -29.767 250 HB2 CYS 30 HB2 CYS 30 -9.277 -3.786 -29.498 251 HB3 CYS 30 HB1 CYS 30 -7.642 -3.971 -28.882 252 HG CYS 30 HG CYS 30 -9.761 -2.929 -26.535 253 H VAL 31 HN VAL 31 -9.291 -0.790 -30.904 254 HA VAL 31 HA VAL 31 -11.800 0.060 -29.593 255 HB VAL 31 HB VAL 31 -10.337 1.413 -31.882 256 HG11 VAL 31 HG11 VAL 31 -11.995 3.202 -31.633 257 HG12 VAL 31 HG12 VAL 31 -12.829 2.261 -30.397 258 HG13 VAL 31 HG13 VAL 31 -12.761 1.672 -32.058 259 HG21 VAL 31 HG21 VAL 31 -10.652 2.271 -29.002 260 HG22 VAL 31 HG22 VAL 31 -9.909 3.228 -30.284 261 HG23 VAL 31 HG23 VAL 31 -9.162 1.716 -29.766 262 H ARG 32 HN ARG 32 -13.706 -0.338 -30.666 263 HA ARG 32 HA ARG 32 -13.548 -2.328 -32.791 264 HB2 ARG 32 HB2 ARG 32 -15.799 -1.571 -30.911 265 HB3 ARG 32 HB1 ARG 32 -15.919 -2.806 -32.158 266 HG2 ARG 32 HG2 ARG 32 -14.029 -2.848 -29.805 267 HG3 ARG 32 HG1 ARG 32 -15.509 -3.798 -29.968 268 HD2 ARG 32 HD2 ARG 32 -14.574 -4.914 -31.939 269 HD3 ARG 32 HD1 ARG 32 -13.098 -3.962 -31.782 270 HE ARG 32 HE ARG 32 -13.375 -5.218 -29.365 271 HH11 ARG 32 HH11 ARG 32 -13.171 -6.269 -32.700 272 HH12 ARG 32 HH12 ARG 32 -12.429 -7.789 -32.309 273 HH21 ARG 32 HH21 ARG 32 -12.384 -7.221 -28.851 274 HH22 ARG 32 HH22 ARG 32 -11.966 -8.323 -30.127 275 H ARG 33 HN ARG 33 -14.049 -1.844 -34.771 276 HA ARG 33 HA ARG 33 -15.036 0.733 -35.555 277 HB2 ARG 33 HB2 ARG 33 -13.432 -0.244 -37.011 278 HB3 ARG 33 HB1 ARG 33 -14.296 -1.775 -37.071 279 HG2 ARG 33 HG2 ARG 33 -16.112 -0.691 -38.331 280 HG3 ARG 33 HG1 ARG 33 -15.219 0.829 -38.291 281 HD2 ARG 33 HD2 ARG 33 -13.478 -0.062 -39.651 282 HD3 ARG 33 HD1 ARG 33 -14.103 -1.704 -39.488 283 HE ARG 33 HE ARG 33 -16.076 -0.907 -40.789 284 HH11 ARG 33 HH11 ARG 33 -13.005 0.746 -41.091 285 HH12 ARG 33 HH12 ARG 33 -13.344 1.354 -42.679 286 HH21 ARG 33 HH21 ARG 33 -16.520 -0.119 -42.873 287 HH22 ARG 33 HH22 ARG 33 -15.356 0.880 -43.689 288 H ARG 34 HN ARG 34 -17.097 1.312 -35.863 289 HA ARG 34 HA ARG 34 -19.240 -0.626 -35.800 290 HB2 ARG 34 HB2 ARG 34 -20.720 1.350 -36.082 291 HB3 ARG 34 HB1 ARG 34 -19.617 1.516 -34.723 292 HG2 ARG 34 HG2 ARG 34 -18.291 3.100 -35.841 293 HG3 ARG 34 HG1 ARG 34 -18.981 2.696 -37.413 294 HD2 ARG 34 HD2 ARG 34 -19.809 4.847 -36.551 295 HD3 ARG 34 HD1 ARG 34 -21.103 3.671 -36.777 296 HE ARG 34 HE ARG 34 -19.916 4.206 -34.126 297 HH11 ARG 34 HH11 ARG 34 -22.703 3.868 -36.232 298 HH12 ARG 34 HH12 ARG 34 -23.849 4.071 -34.943 299 HH21 ARG 34 HH21 ARG 34 -21.431 4.499 -32.441 300 HH22 ARG 34 HH22 ARG 34 -23.130 4.423 -32.789 301 H ILE 35 HN ILE 35 -20.858 -0.762 -37.523 302 HA ILE 35 HA ILE 35 -19.570 -0.877 -40.134 303 HB ILE 35 HB ILE 35 -22.345 -1.780 -39.317 304 HG12 ILE 35 HG12 ILE 35 -20.650 -3.009 -38.062 305 HG13 ILE 35 HG11 ILE 35 -21.378 -4.060 -39.271 306 HG21 ILE 35 HG21 ILE 35 -22.167 -1.401 -41.711 307 HG22 ILE 35 HG22 ILE 35 -22.277 -3.128 -41.372 308 HG23 ILE 35 HG23 ILE 35 -20.721 -2.408 -41.785 309 HD11 ILE 35 HD11 ILE 35 -19.004 -4.426 -39.160 310 HD12 ILE 35 HD12 ILE 35 -18.692 -2.715 -39.451 311 HD13 ILE 35 HD13 ILE 35 -19.420 -3.707 -40.716 312 H ARG 36 HN ARG 36 -22.229 0.786 -38.517 313 HA ARG 36 HA ARG 36 -22.484 2.573 -40.851 314 HB2 ARG 36 HB2 ARG 36 -24.389 0.775 -40.300 315 HB3 ARG 36 HB1 ARG 36 -24.876 1.991 -39.135 316 HG2 ARG 36 HG2 ARG 36 -24.618 2.413 -42.114 317 HG3 ARG 36 HG1 ARG 36 -26.123 2.141 -41.242 318 HD2 ARG 36 HD2 ARG 36 -26.090 4.444 -41.506 319 HD3 ARG 36 HD1 ARG 36 -25.442 4.234 -39.880 320 HE ARG 36 HE ARG 36 -23.418 4.343 -41.926 321 HH11 ARG 36 HH11 ARG 36 -25.381 6.233 -39.730 322 HH12 ARG 36 HH12 ARG 36 -24.370 7.637 -39.826 323 HH21 ARG 36 HH21 ARG 36 -22.073 6.159 -42.051 324 HH22 ARG 36 HH22 ARG 36 -22.470 7.596 -41.162 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -8.940 -1.215 0.216 2 H2 ALA 1 HT2 ALA 1 -8.945 -2.452 -0.937 3 H3 ALA 1 HT3 ALA 1 -10.363 -1.595 -0.616 4 HA ALA 1 HA ALA 1 -9.363 0.429 -1.467 5 HB1 ALA 1 HB1 ALA 1 -7.208 0.322 -2.615 6 HB2 ALA 1 HB2 ALA 1 -7.052 -1.383 -2.188 7 HB3 ALA 1 HB3 ALA 1 -7.035 -0.154 -0.924 8 H PHE 2 HN PHE 2 -8.574 0.475 -4.051 9 HA PHE 2 HA PHE 2 -10.484 -1.320 -5.401 10 HB2 PHE 2 HB2 PHE 2 -9.481 1.404 -6.286 11 HB3 PHE 2 HB1 PHE 2 -10.615 0.392 -7.175 12 HD1 PHE 2 HD1 PHE 2 -10.206 2.815 -4.536 13 HD2 PHE 2 HD2 PHE 2 -12.879 -0.064 -6.191 14 HE1 PHE 2 HE1 PHE 2 -12.074 3.851 -3.318 15 HE2 PHE 2 HE2 PHE 2 -14.752 0.975 -4.975 16 HZ PHE 2 HZ PHE 2 -14.351 2.935 -3.538 17 H ILE 3 HN ILE 3 -8.749 -2.914 -5.349 18 HA ILE 3 HA ILE 3 -6.327 -2.434 -6.777 19 HB ILE 3 HB ILE 3 -6.297 -4.091 -5.030 20 HG12 ILE 3 HG12 ILE 3 -6.000 -5.456 -7.725 21 HG13 ILE 3 HG11 ILE 3 -4.780 -4.449 -6.950 22 HG21 ILE 3 HG21 ILE 3 -8.325 -5.660 -6.629 23 HG22 ILE 3 HG22 ILE 3 -8.625 -4.812 -5.112 24 HG23 ILE 3 HG23 ILE 3 -7.536 -6.198 -5.145 25 HD11 ILE 3 HD11 ILE 3 -5.837 -7.069 -5.907 26 HD12 ILE 3 HD12 ILE 3 -4.614 -6.066 -5.126 27 HD13 ILE 3 HD13 ILE 3 -4.280 -6.805 -6.691 28 H GLN 4 HN GLN 4 -7.050 -1.604 -8.736 29 HA GLN 4 HA GLN 4 -8.549 -3.403 -10.512 30 HB2 GLN 4 HB2 GLN 4 -7.978 -0.435 -10.638 31 HB3 GLN 4 HB1 GLN 4 -8.747 -1.325 -11.944 32 HG2 GLN 4 HG2 GLN 4 -10.618 -1.883 -10.536 33 HG3 GLN 4 HG1 GLN 4 -9.829 -1.153 -9.139 34 HE21 GLN 4 HE21 GLN 4 -8.824 1.140 -10.556 35 HE22 GLN 4 HE22 GLN 4 -10.183 2.155 -10.881 36 H LEU 5 HN LEU 5 -7.182 -4.739 -11.512 37 HA LEU 5 HA LEU 5 -4.561 -3.967 -12.382 38 HB2 LEU 5 HB2 LEU 5 -6.232 -6.369 -13.158 39 HB3 LEU 5 HB1 LEU 5 -4.521 -6.171 -13.482 40 HG LEU 5 HG LEU 5 -5.790 -6.446 -10.750 41 HD11 LEU 5 HD11 LEU 5 -4.043 -8.348 -12.315 42 HD12 LEU 5 HD12 LEU 5 -5.772 -8.531 -12.018 43 HD13 LEU 5 HD13 LEU 5 -4.634 -8.596 -10.672 44 HD21 LEU 5 HD21 LEU 5 -3.486 -6.536 -9.902 45 HD22 LEU 5 HD22 LEU 5 -3.847 -4.979 -10.649 46 HD23 LEU 5 HD23 LEU 5 -2.878 -6.172 -11.518 47 H SER 6 HN SER 6 -4.591 -2.315 -13.841 48 HA SER 6 HA SER 6 -6.446 -1.927 -15.886 49 HB2 SER 6 HB2 SER 6 -4.324 -0.697 -16.948 50 HB3 SER 6 HB1 SER 6 -5.187 -0.042 -15.558 51 HG SER 6 HG SER 6 -2.729 -1.439 -15.628 52 H LYS 7 HN LYS 7 -6.872 -3.103 -17.573 53 HA LYS 7 HA LYS 7 -4.839 -4.999 -18.572 54 HB2 LYS 7 HB2 LYS 7 -6.774 -5.984 -17.304 55 HB3 LYS 7 HB1 LYS 7 -7.844 -5.371 -18.554 56 HG2 LYS 7 HG2 LYS 7 -6.869 -6.818 -20.197 57 HG3 LYS 7 HG1 LYS 7 -5.592 -7.308 -19.078 58 HD2 LYS 7 HD2 LYS 7 -7.300 -8.311 -17.597 59 HD3 LYS 7 HD1 LYS 7 -8.552 -7.859 -18.755 60 HE2 LYS 7 HE2 LYS 7 -6.223 -9.670 -19.399 61 HE3 LYS 7 HE1 LYS 7 -7.811 -10.244 -18.894 62 HZ1 LYS 7 HZ1 LYS 7 -7.497 -10.247 -21.318 63 HZ2 LYS 7 HZ2 LYS 7 -7.324 -8.565 -21.292 64 HZ3 LYS 7 HZ3 LYS 7 -8.790 -9.270 -20.832 65 HA PRO 8 HA PRO 8 -5.847 -2.398 -22.184 66 HB2 PRO 8 HB2 PRO 8 -3.365 -2.119 -23.126 67 HB3 PRO 8 HB1 PRO 8 -3.877 -1.257 -21.668 68 HG2 PRO 8 HG2 PRO 8 -2.236 -3.753 -21.915 69 HG3 PRO 8 HG1 PRO 8 -2.014 -2.369 -20.828 70 HD2 PRO 8 HD2 PRO 8 -3.248 -4.761 -20.128 71 HD3 PRO 8 HD1 PRO 8 -3.460 -3.221 -19.274 72 H CYS 9 HN CYS 9 -4.548 -2.730 -24.535 73 HA CYS 9 HA CYS 9 -4.918 -5.581 -25.215 74 HB2 CYS 9 HB2 CYS 9 -5.487 -3.186 -26.986 75 HB3 CYS 9 HB1 CYS 9 -5.789 -4.875 -27.376 76 HG CYS 9 HG CYS 9 -7.341 -3.533 -24.669 77 H ILE 10 HN ILE 10 -3.944 -5.695 -27.699 78 HA ILE 10 HA ILE 10 -1.105 -5.196 -27.356 79 HB ILE 10 HB ILE 10 -2.568 -6.527 -29.657 80 HG12 ILE 10 HG12 ILE 10 -2.926 -7.752 -27.561 81 HG13 ILE 10 HG11 ILE 10 -1.864 -8.660 -28.632 82 HG21 ILE 10 HG21 ILE 10 0.366 -6.542 -28.931 83 HG22 ILE 10 HG22 ILE 10 -0.364 -5.724 -30.312 84 HG23 ILE 10 HG23 ILE 10 -0.375 -7.485 -30.224 85 HD11 ILE 10 HD11 ILE 10 -1.109 -8.769 -26.329 86 HD12 ILE 10 HD12 ILE 10 -0.996 -7.010 -26.265 87 HD13 ILE 10 HD13 ILE 10 0.069 -7.925 -27.335 88 H SER 11 HN SER 11 0.163 -4.089 -28.999 89 HA SER 11 HA SER 11 -0.987 -1.581 -29.663 90 HB2 SER 11 HB2 SER 11 1.254 -1.162 -30.742 91 HB3 SER 11 HB1 SER 11 1.327 -1.655 -29.051 92 HG SER 11 HG SER 11 2.248 -3.483 -29.600 93 H ASP 12 HN ASP 12 -1.017 -0.583 -31.746 94 HA ASP 12 HA ASP 12 -2.527 -1.812 -33.690 95 HB2 ASP 12 HB2 ASP 12 -2.233 0.620 -33.504 96 HB3 ASP 12 HB1 ASP 12 -0.554 0.473 -34.006 97 H LYS 13 HN LYS 13 0.923 -1.777 -33.285 98 HA LYS 13 HA LYS 13 1.875 -2.505 -35.768 99 HB2 LYS 13 HB2 LYS 13 3.284 -1.889 -33.844 100 HB3 LYS 13 HB1 LYS 13 2.883 -3.407 -33.054 101 HG2 LYS 13 HG2 LYS 13 5.088 -3.519 -34.035 102 HG3 LYS 13 HG1 LYS 13 4.000 -4.632 -34.864 103 HD2 LYS 13 HD2 LYS 13 3.743 -3.060 -36.704 104 HD3 LYS 13 HD1 LYS 13 4.737 -1.874 -35.855 105 HE2 LYS 13 HE2 LYS 13 6.655 -3.384 -35.976 106 HE3 LYS 13 HE1 LYS 13 5.664 -4.592 -36.793 107 HZ1 LYS 13 HZ1 LYS 13 6.290 -1.885 -37.841 108 HZ2 LYS 13 HZ2 LYS 13 5.371 -3.060 -38.630 109 HZ3 LYS 13 HZ3 LYS 13 7.013 -3.325 -38.346 110 H GLU 14 HN GLU 14 0.333 -4.531 -33.341 111 HA GLU 14 HA GLU 14 0.796 -6.890 -35.049 112 HB2 GLU 14 HB2 GLU 14 1.658 -7.034 -32.722 113 HB3 GLU 14 HB1 GLU 14 0.020 -6.812 -32.125 114 HG2 GLU 14 HG2 GLU 14 0.601 -9.143 -32.041 115 HG3 GLU 14 HG1 GLU 14 -0.653 -8.894 -33.255 116 H CYS 15 HN CYS 15 -1.691 -5.031 -33.358 117 HA CYS 15 HA CYS 15 -3.763 -6.910 -34.069 118 HB2 CYS 15 HB2 CYS 15 -5.290 -5.223 -33.037 119 HB3 CYS 15 HB1 CYS 15 -3.991 -5.758 -31.976 120 HG CYS 15 HG CYS 15 -3.265 -3.401 -31.355 121 H SER 16 HN SER 16 -2.145 -5.273 -36.143 122 HA SER 16 HA SER 16 -3.906 -3.716 -37.642 123 HB2 SER 16 HB2 SER 16 -1.773 -5.620 -38.675 124 HB3 SER 16 HB1 SER 16 -2.468 -4.260 -39.560 125 HG SER 16 HG SER 16 -1.572 -3.419 -37.176 126 H ILE 17 HN ILE 17 -5.849 -4.259 -38.420 127 HA ILE 17 HA ILE 17 -6.828 -6.887 -38.044 128 HB ILE 17 HB ILE 17 -8.965 -6.004 -39.009 129 HG12 ILE 17 HG12 ILE 17 -7.375 -3.418 -39.175 130 HG13 ILE 17 HG11 ILE 17 -8.033 -4.314 -40.541 131 HG21 ILE 17 HG21 ILE 17 -9.402 -4.523 -37.104 132 HG22 ILE 17 HG22 ILE 17 -7.668 -4.390 -36.807 133 HG23 ILE 17 HG23 ILE 17 -8.479 -5.945 -36.623 134 HD11 ILE 17 HD11 ILE 17 -10.294 -3.871 -39.748 135 HD12 ILE 17 HD12 ILE 17 -9.395 -2.376 -40.001 136 HD13 ILE 17 HD13 ILE 17 -9.641 -2.989 -38.367 137 H VAL 18 HN VAL 18 -5.442 -8.103 -39.394 138 HA VAL 18 HA VAL 18 -6.581 -8.387 -42.106 139 HB VAL 18 HB VAL 18 -4.463 -9.466 -42.794 140 HG11 VAL 18 HG11 VAL 18 -3.080 -7.437 -42.903 141 HG12 VAL 18 HG12 VAL 18 -4.094 -6.683 -41.672 142 HG13 VAL 18 HG13 VAL 18 -4.775 -7.093 -43.247 143 HG21 VAL 18 HG21 VAL 18 -3.707 -10.286 -40.626 144 HG22 VAL 18 HG22 VAL 18 -3.458 -8.633 -40.063 145 HG23 VAL 18 HG23 VAL 18 -2.459 -9.281 -41.364 146 H LYS 19 HN LYS 19 -7.130 -9.439 -39.289 147 HA LYS 19 HA LYS 19 -6.882 -12.340 -39.761 148 HB2 LYS 19 HB2 LYS 19 -5.817 -11.120 -37.691 149 HB3 LYS 19 HB1 LYS 19 -7.465 -11.072 -37.085 150 HG2 LYS 19 HG2 LYS 19 -6.344 -12.955 -36.127 151 HG3 LYS 19 HG1 LYS 19 -7.544 -13.556 -37.273 152 HD2 LYS 19 HD2 LYS 19 -5.831 -13.940 -38.939 153 HD3 LYS 19 HD1 LYS 19 -4.609 -13.201 -37.905 154 HE2 LYS 19 HE2 LYS 19 -4.893 -14.993 -36.268 155 HE3 LYS 19 HE1 LYS 19 -6.147 -15.721 -37.271 156 HZ1 LYS 19 HZ1 LYS 19 -3.986 -16.797 -37.552 157 HZ2 LYS 19 HZ2 LYS 19 -3.323 -15.340 -38.096 158 HZ3 LYS 19 HZ3 LYS 19 -4.530 -16.104 -38.995 159 H ASN 20 HN ASN 20 -8.777 -13.424 -38.265 160 HA ASN 20 HA ASN 20 -11.259 -12.595 -39.485 161 HB2 ASN 20 HB2 ASN 20 -10.617 -14.834 -37.548 162 HB3 ASN 20 HB1 ASN 20 -12.198 -14.579 -38.277 163 HD21 ASN 20 HD21 ASN 20 -12.499 -15.043 -40.449 164 HD22 ASN 20 HD22 ASN 20 -11.356 -15.960 -41.366 165 H TYR 21 HN TYR 21 -10.252 -10.616 -37.775 166 HA TYR 21 HA TYR 21 -12.483 -10.290 -35.954 167 HB2 TYR 21 HB2 TYR 21 -10.437 -11.394 -34.727 168 HB3 TYR 21 HB1 TYR 21 -9.742 -9.780 -34.854 169 HD1 TYR 21 HD1 TYR 21 -13.144 -11.092 -33.983 170 HD2 TYR 21 HD2 TYR 21 -9.854 -8.646 -32.836 171 HE1 TYR 21 HE1 TYR 21 -14.358 -10.424 -31.952 172 HE2 TYR 21 HE2 TYR 21 -11.060 -7.970 -30.804 173 HH TYR 21 HH TYR 21 -14.037 -9.498 -29.829 174 H ARG 22 HN ARG 22 -11.970 -7.986 -34.779 175 HA ARG 22 HA ARG 22 -10.715 -6.144 -36.592 176 HB2 ARG 22 HB2 ARG 22 -12.831 -4.939 -37.091 177 HB3 ARG 22 HB1 ARG 22 -12.714 -6.549 -37.792 178 HG2 ARG 22 HG2 ARG 22 -14.119 -7.408 -35.918 179 HG3 ARG 22 HG1 ARG 22 -14.349 -5.740 -35.392 180 HD2 ARG 22 HD2 ARG 22 -15.455 -5.181 -37.449 181 HD3 ARG 22 HD1 ARG 22 -15.065 -6.756 -38.143 182 HE ARG 22 HE ARG 22 -16.674 -6.764 -35.717 183 HH11 ARG 22 HH11 ARG 22 -16.621 -6.894 -39.212 184 HH12 ARG 22 HH12 ARG 22 -18.174 -7.659 -39.335 185 HH21 ARG 22 HH21 ARG 22 -18.718 -7.794 -35.875 186 HH22 ARG 22 HH22 ARG 22 -19.363 -8.176 -37.440 187 H ALA 23 HN ALA 23 -9.579 -5.136 -35.072 188 HA ALA 23 HA ALA 23 -11.019 -3.475 -33.165 189 HB1 ALA 23 HB1 ALA 23 -9.624 -4.146 -31.271 190 HB2 ALA 23 HB2 ALA 23 -8.819 -5.356 -32.274 191 HB3 ALA 23 HB3 ALA 23 -10.534 -5.521 -31.896 192 H ARG 24 HN ARG 24 -10.254 -1.477 -33.448 193 HA ARG 24 HA ARG 24 -7.559 -1.073 -34.524 194 HB2 ARG 24 HB2 ARG 24 -9.276 0.165 -35.666 195 HB3 ARG 24 HB1 ARG 24 -9.932 0.774 -34.155 196 HG2 ARG 24 HG2 ARG 24 -8.706 2.498 -35.369 197 HG3 ARG 24 HG1 ARG 24 -7.957 2.146 -33.812 198 HD2 ARG 24 HD2 ARG 24 -6.283 2.429 -35.583 199 HD3 ARG 24 HD1 ARG 24 -6.248 0.800 -34.915 200 HE ARG 24 HE ARG 24 -6.714 0.007 -36.992 201 HH11 ARG 24 HH11 ARG 24 -7.796 3.345 -36.890 202 HH12 ARG 24 HH12 ARG 24 -8.165 3.403 -38.582 203 HH21 ARG 24 HH21 ARG 24 -7.197 0.096 -39.217 204 HH22 ARG 24 HH22 ARG 24 -7.831 1.560 -39.897 205 H CYS 25 HN CYS 25 -5.977 -0.932 -33.069 206 HA CYS 25 HA CYS 25 -6.589 -0.351 -30.302 207 HB2 CYS 25 HB2 CYS 25 -3.932 -1.049 -31.572 208 HB3 CYS 25 HB1 CYS 25 -4.317 -1.083 -29.852 209 HG CYS 25 HG CYS 25 -5.772 -3.111 -32.203 210 H ARG 26 HN ARG 26 -6.126 1.436 -29.206 211 HA ARG 26 HA ARG 26 -4.122 3.315 -30.018 212 HB2 ARG 26 HB2 ARG 26 -6.115 3.909 -31.461 213 HB3 ARG 26 HB1 ARG 26 -7.000 4.271 -29.984 214 HG2 ARG 26 HG2 ARG 26 -5.507 6.075 -29.454 215 HG3 ARG 26 HG1 ARG 26 -4.432 5.638 -30.784 216 HD2 ARG 26 HD2 ARG 26 -6.299 6.127 -32.368 217 HD3 ARG 26 HD1 ARG 26 -7.257 6.698 -31.001 218 HE ARG 26 HE ARG 26 -5.387 8.367 -30.676 219 HH11 ARG 26 HH11 ARG 26 -6.194 7.051 -33.819 220 HH12 ARG 26 HH12 ARG 26 -5.586 8.427 -34.688 221 HH21 ARG 26 HH21 ARG 26 -4.572 10.174 -31.819 222 HH22 ARG 26 HH22 ARG 26 -4.659 10.195 -33.552 223 H LYS 27 HN LYS 27 -3.548 4.675 -28.330 224 HA LYS 27 HA LYS 27 -3.197 5.270 -26.170 225 HB2 LYS 27 HB2 LYS 27 -6.188 4.843 -25.882 226 HB3 LYS 27 HB1 LYS 27 -5.163 5.730 -24.759 227 HG2 LYS 27 HG2 LYS 27 -5.820 6.490 -27.604 228 HG3 LYS 27 HG1 LYS 27 -6.380 7.285 -26.131 229 HD2 LYS 27 HD2 LYS 27 -4.007 7.844 -25.599 230 HD3 LYS 27 HD1 LYS 27 -3.537 7.155 -27.155 231 HE2 LYS 27 HE2 LYS 27 -3.704 9.535 -27.405 232 HE3 LYS 27 HE1 LYS 27 -5.049 8.795 -28.268 233 HZ1 LYS 27 HZ1 LYS 27 -5.698 10.747 -26.952 234 HZ2 LYS 27 HZ2 LYS 27 -5.232 9.945 -25.537 235 HZ3 LYS 27 HZ3 LYS 27 -6.513 9.347 -26.465 236 H GLY 28 HN GLY 28 -2.924 2.507 -26.921 237 HA2 GLY 28 HA2 GLY 28 -2.213 0.626 -25.771 238 HA3 GLY 28 HA1 GLY 28 -2.777 1.358 -24.278 239 H TYR 29 HN TYR 29 -5.416 1.701 -26.021 240 HA TYR 29 HA TYR 29 -6.528 -0.874 -25.141 241 HB2 TYR 29 HB2 TYR 29 -7.933 1.693 -25.944 242 HB3 TYR 29 HB1 TYR 29 -8.720 0.240 -25.337 243 HD1 TYR 29 HD1 TYR 29 -7.259 -0.592 -23.059 244 HD2 TYR 29 HD2 TYR 29 -8.023 3.392 -24.354 245 HE1 TYR 29 HE1 TYR 29 -7.023 0.201 -20.745 246 HE2 TYR 29 HE2 TYR 29 -7.791 4.192 -22.041 247 HH TYR 29 HH TYR 29 -6.482 2.308 -19.561 248 H CYS 30 HN CYS 30 -8.362 -1.688 -26.589 249 HA CYS 30 HA CYS 30 -7.777 -1.195 -29.435 250 HB2 CYS 30 HB2 CYS 30 -8.215 -3.581 -29.895 251 HB3 CYS 30 HB1 CYS 30 -6.832 -3.367 -28.828 252 HG CYS 30 HG CYS 30 -9.256 -3.695 -26.787 253 H VAL 31 HN VAL 31 -9.501 -0.332 -30.387 254 HA VAL 31 HA VAL 31 -12.137 -0.578 -29.210 255 HB VAL 31 HB VAL 31 -11.419 0.692 -31.845 256 HG11 VAL 31 HG11 VAL 31 -13.476 2.021 -31.460 257 HG12 VAL 31 HG12 VAL 31 -13.786 1.067 -30.009 258 HG13 VAL 31 HG13 VAL 31 -13.795 0.290 -31.592 259 HG21 VAL 31 HG21 VAL 31 -11.499 1.984 -29.114 260 HG22 VAL 31 HG22 VAL 31 -11.282 2.838 -30.643 261 HG23 VAL 31 HG23 VAL 31 -10.054 1.701 -30.086 262 H ARG 32 HN ARG 32 -13.001 -2.498 -29.471 263 HA ARG 32 HA ARG 32 -12.674 -3.982 -31.963 264 HB2 ARG 32 HB2 ARG 32 -13.668 -5.883 -30.659 265 HB3 ARG 32 HB1 ARG 32 -12.155 -5.262 -30.014 266 HG2 ARG 32 HG2 ARG 32 -13.566 -3.898 -28.395 267 HG3 ARG 32 HG1 ARG 32 -14.935 -4.883 -28.921 268 HD2 ARG 32 HD2 ARG 32 -13.954 -5.792 -26.885 269 HD3 ARG 32 HD1 ARG 32 -13.721 -6.910 -28.231 270 HE ARG 32 HE ARG 32 -11.476 -5.221 -28.023 271 HH11 ARG 32 HH11 ARG 32 -13.001 -7.861 -26.292 272 HH12 ARG 32 HH12 ARG 32 -11.505 -8.440 -25.624 273 HH21 ARG 32 HH21 ARG 32 -9.508 -5.997 -27.130 274 HH22 ARG 32 HH22 ARG 32 -9.541 -7.394 -26.095 275 H ARG 33 HN ARG 33 -14.148 -3.833 -33.471 276 HA ARG 33 HA ARG 33 -16.683 -2.549 -32.934 277 HB2 ARG 33 HB2 ARG 33 -15.355 -1.958 -34.925 278 HB3 ARG 33 HB1 ARG 33 -15.498 -3.607 -35.517 279 HG2 ARG 33 HG2 ARG 33 -17.037 -2.154 -36.691 280 HG3 ARG 33 HG1 ARG 33 -17.932 -3.320 -35.715 281 HD2 ARG 33 HD2 ARG 33 -18.886 -1.050 -35.583 282 HD3 ARG 33 HD1 ARG 33 -18.337 -1.636 -34.014 283 HE ARG 33 HE ARG 33 -16.229 -0.201 -35.112 284 HH11 ARG 33 HH11 ARG 33 -19.538 0.504 -34.176 285 HH12 ARG 33 HH12 ARG 33 -19.172 2.121 -33.668 286 HH21 ARG 33 HH21 ARG 33 -15.762 1.925 -34.453 287 HH22 ARG 33 HH22 ARG 33 -17.038 2.933 -33.832 288 H ARG 34 HN ARG 34 -17.893 -4.032 -31.750 289 HA ARG 34 HA ARG 34 -18.571 -6.568 -33.058 290 HB2 ARG 34 HB2 ARG 34 -18.056 -6.693 -30.663 291 HB3 ARG 34 HB1 ARG 34 -19.310 -5.505 -30.317 292 HG2 ARG 34 HG2 ARG 34 -20.989 -7.101 -31.250 293 HG3 ARG 34 HG1 ARG 34 -19.699 -8.294 -31.398 294 HD2 ARG 34 HD2 ARG 34 -20.571 -6.979 -28.823 295 HD3 ARG 34 HD1 ARG 34 -21.058 -8.587 -29.359 296 HE ARG 34 HE ARG 34 -18.267 -8.503 -29.349 297 HH11 ARG 34 HH11 ARG 34 -20.920 -8.348 -27.076 298 HH12 ARG 34 HH12 ARG 34 -20.009 -9.035 -25.765 299 HH21 ARG 34 HH21 ARG 34 -17.066 -9.421 -27.627 300 HH22 ARG 34 HH22 ARG 34 -17.832 -9.661 -26.088 301 H ILE 35 HN ILE 35 -20.240 -6.560 -34.407 302 HA ILE 35 HA ILE 35 -22.235 -4.444 -34.282 303 HB ILE 35 HB ILE 35 -22.087 -6.746 -36.248 304 HG12 ILE 35 HG12 ILE 35 -20.967 -3.935 -36.511 305 HG13 ILE 35 HG11 ILE 35 -20.008 -5.395 -36.290 306 HG21 ILE 35 HG21 ILE 35 -23.471 -5.284 -37.667 307 HG22 ILE 35 HG22 ILE 35 -23.515 -4.082 -36.378 308 HG23 ILE 35 HG23 ILE 35 -24.270 -5.659 -36.141 309 HD11 ILE 35 HD11 ILE 35 -21.757 -4.777 -38.659 310 HD12 ILE 35 HD12 ILE 35 -20.797 -6.240 -38.438 311 HD13 ILE 35 HD13 ILE 35 -19.997 -4.676 -38.604 312 H ARG 36 HN ARG 36 -22.644 -5.488 -32.065 313 HA ARG 36 HA ARG 36 -25.228 -6.643 -32.154 314 HB2 ARG 36 HB2 ARG 36 -23.909 -8.706 -32.507 315 HB3 ARG 36 HB1 ARG 36 -22.996 -8.374 -31.041 316 HG2 ARG 36 HG2 ARG 36 -24.693 -10.053 -30.628 317 HG3 ARG 36 HG1 ARG 36 -25.046 -8.590 -29.711 318 HD2 ARG 36 HD2 ARG 36 -27.097 -9.418 -30.667 319 HD3 ARG 36 HD1 ARG 36 -26.654 -7.922 -31.489 320 HE ARG 36 HE ARG 36 -26.332 -10.639 -32.605 321 HH11 ARG 36 HH11 ARG 36 -26.743 -7.179 -33.064 322 HH12 ARG 36 HH12 ARG 36 -26.876 -7.304 -34.789 323 HH21 ARG 36 HH21 ARG 36 -26.550 -10.793 -34.865 324 HH22 ARG 36 HH22 ARG 36 -26.777 -9.356 -35.811 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -18.271 -1.607 -18.607 2 H2 ALA 1 HT2 ALA 1 -17.817 -0.462 -17.448 3 H3 ALA 1 HT3 ALA 1 -19.223 -1.374 -17.228 4 HA ALA 1 HA ALA 1 -17.965 -3.381 -17.000 5 HB1 ALA 1 HB1 ALA 1 -15.520 -3.330 -16.958 6 HB2 ALA 1 HB2 ALA 1 -15.542 -1.610 -17.347 7 HB3 ALA 1 HB3 ALA 1 -16.138 -2.786 -18.518 8 H PHE 2 HN PHE 2 -16.676 -3.945 -15.007 9 HA PHE 2 HA PHE 2 -16.732 -1.856 -12.942 10 HB2 PHE 2 HB2 PHE 2 -17.671 -3.509 -11.331 11 HB3 PHE 2 HB1 PHE 2 -18.787 -3.110 -12.630 12 HD1 PHE 2 HD1 PHE 2 -16.746 -5.736 -11.117 13 HD2 PHE 2 HD2 PHE 2 -19.321 -4.757 -14.372 14 HE1 PHE 2 HE1 PHE 2 -17.011 -8.129 -11.625 15 HE2 PHE 2 HE2 PHE 2 -19.590 -7.150 -14.879 16 HZ PHE 2 HZ PHE 2 -18.437 -8.840 -13.507 17 H ILE 3 HN ILE 3 -14.784 -3.565 -14.643 18 HA ILE 3 HA ILE 3 -13.325 -5.162 -12.764 19 HB ILE 3 HB ILE 3 -12.493 -4.166 -15.503 20 HG12 ILE 3 HG12 ILE 3 -13.700 -6.828 -14.682 21 HG13 ILE 3 HG11 ILE 3 -14.544 -5.549 -15.550 22 HG21 ILE 3 HG21 ILE 3 -11.330 -6.386 -13.816 23 HG22 ILE 3 HG22 ILE 3 -10.573 -4.828 -14.147 24 HG23 ILE 3 HG23 ILE 3 -10.840 -5.974 -15.461 25 HD11 ILE 3 HD11 ILE 3 -13.835 -7.337 -17.030 26 HD12 ILE 3 HD12 ILE 3 -12.154 -7.076 -16.565 27 HD13 ILE 3 HD13 ILE 3 -13.037 -5.819 -17.436 28 H GLN 4 HN GLN 4 -11.582 -4.614 -11.556 29 HA GLN 4 HA GLN 4 -11.013 -1.955 -10.905 30 HB2 GLN 4 HB2 GLN 4 -10.518 -3.772 -9.368 31 HB3 GLN 4 HB1 GLN 4 -9.367 -4.467 -10.502 32 HG2 GLN 4 HG2 GLN 4 -7.926 -2.500 -10.238 33 HG3 GLN 4 HG1 GLN 4 -9.077 -1.818 -9.089 34 HE21 GLN 4 HE21 GLN 4 -7.490 -1.773 -7.480 35 HE22 GLN 4 HE22 GLN 4 -6.962 -3.209 -6.673 36 H LEU 5 HN LEU 5 -8.807 -4.229 -12.555 37 HA LEU 5 HA LEU 5 -8.118 -2.334 -14.582 38 HB2 LEU 5 HB2 LEU 5 -6.796 -1.386 -12.764 39 HB3 LEU 5 HB1 LEU 5 -6.090 -2.956 -12.424 40 HG LEU 5 HG LEU 5 -4.987 -2.918 -14.648 41 HD11 LEU 5 HD11 LEU 5 -4.912 -0.843 -15.929 42 HD12 LEU 5 HD12 LEU 5 -6.071 -0.108 -14.822 43 HD13 LEU 5 HD13 LEU 5 -6.554 -1.475 -15.827 44 HD21 LEU 5 HD21 LEU 5 -4.398 -0.546 -12.874 45 HD22 LEU 5 HD22 LEU 5 -3.309 -1.206 -14.093 46 HD23 LEU 5 HD23 LEU 5 -3.752 -2.179 -12.692 47 H SER 6 HN SER 6 -7.940 -3.585 -16.294 48 HA SER 6 HA SER 6 -6.538 -6.167 -16.095 49 HB2 SER 6 HB2 SER 6 -7.580 -6.569 -18.372 50 HB3 SER 6 HB1 SER 6 -8.745 -6.412 -17.058 51 HG SER 6 HG SER 6 -8.078 -4.544 -19.070 52 H LYS 7 HN LYS 7 -5.218 -6.610 -18.229 53 HA LYS 7 HA LYS 7 -3.402 -4.408 -18.580 54 HB2 LYS 7 HB2 LYS 7 -2.117 -5.887 -20.014 55 HB3 LYS 7 HB1 LYS 7 -2.576 -6.732 -18.543 56 HG2 LYS 7 HG2 LYS 7 -4.222 -8.014 -19.684 57 HG3 LYS 7 HG1 LYS 7 -4.079 -7.018 -21.138 58 HD2 LYS 7 HD2 LYS 7 -1.825 -7.816 -21.519 59 HD3 LYS 7 HD1 LYS 7 -1.842 -8.703 -19.994 60 HE2 LYS 7 HE2 LYS 7 -3.767 -9.263 -22.247 61 HE3 LYS 7 HE1 LYS 7 -2.213 -10.081 -22.077 62 HZ1 LYS 7 HZ1 LYS 7 -4.362 -10.084 -20.025 63 HZ2 LYS 7 HZ2 LYS 7 -2.900 -10.935 -19.954 64 HZ3 LYS 7 HZ3 LYS 7 -4.057 -11.344 -21.114 65 HA PRO 8 HA PRO 8 -5.096 -2.564 -22.259 66 HB2 PRO 8 HB2 PRO 8 -2.355 -2.478 -23.390 67 HB3 PRO 8 HB1 PRO 8 -3.455 -1.148 -23.013 68 HG2 PRO 8 HG2 PRO 8 -1.290 -1.614 -21.516 69 HG3 PRO 8 HG1 PRO 8 -2.813 -1.076 -20.781 70 HD2 PRO 8 HD2 PRO 8 -1.641 -3.836 -20.907 71 HD3 PRO 8 HD1 PRO 8 -2.432 -3.009 -19.546 72 H CYS 9 HN CYS 9 -3.898 -2.741 -24.852 73 HA CYS 9 HA CYS 9 -4.544 -5.541 -25.519 74 HB2 CYS 9 HB2 CYS 9 -4.884 -3.067 -27.231 75 HB3 CYS 9 HB1 CYS 9 -5.383 -4.703 -27.648 76 HG CYS 9 HG CYS 9 -7.005 -4.450 -25.039 77 H ILE 10 HN ILE 10 -3.690 -5.909 -27.922 78 HA ILE 10 HA ILE 10 -0.856 -5.826 -27.861 79 HB ILE 10 HB ILE 10 -0.889 -6.801 -30.078 80 HG12 ILE 10 HG12 ILE 10 -2.751 -5.382 -31.013 81 HG13 ILE 10 HG11 ILE 10 -2.866 -7.086 -31.425 82 HG21 ILE 10 HG21 ILE 10 -1.324 -8.289 -28.220 83 HG22 ILE 10 HG22 ILE 10 -2.236 -8.811 -29.636 84 HG23 ILE 10 HG23 ILE 10 -3.053 -7.962 -28.323 85 HD11 ILE 10 HD11 ILE 10 -5.038 -6.161 -30.903 86 HD12 ILE 10 HD12 ILE 10 -4.470 -5.662 -29.310 87 HD13 ILE 10 HD13 ILE 10 -4.586 -7.377 -29.710 88 H SER 11 HN SER 11 0.394 -4.938 -29.794 89 HA SER 11 HA SER 11 0.052 -2.112 -29.769 90 HB2 SER 11 HB2 SER 11 1.952 -3.787 -31.438 91 HB3 SER 11 HB1 SER 11 2.113 -2.069 -31.064 92 HG SER 11 HG SER 11 1.983 -2.956 -28.751 93 H ASP 12 HN ASP 12 0.028 -0.775 -31.739 94 HA ASP 12 HA ASP 12 -2.286 -1.252 -33.240 95 HB2 ASP 12 HB2 ASP 12 -1.680 0.761 -34.489 96 HB3 ASP 12 HB1 ASP 12 -1.433 0.994 -32.765 97 H LYS 13 HN LYS 13 1.118 -1.672 -34.059 98 HA LYS 13 HA LYS 13 0.716 -2.438 -36.755 99 HB2 LYS 13 HB2 LYS 13 3.035 -3.473 -36.501 100 HB3 LYS 13 HB1 LYS 13 2.902 -1.753 -36.178 101 HG2 LYS 13 HG2 LYS 13 4.312 -2.583 -34.499 102 HG3 LYS 13 HG1 LYS 13 2.752 -2.356 -33.715 103 HD2 LYS 13 HD2 LYS 13 3.720 -4.444 -32.989 104 HD3 LYS 13 HD1 LYS 13 2.306 -4.784 -33.983 105 HE2 LYS 13 HE2 LYS 13 3.766 -5.238 -35.900 106 HE3 LYS 13 HE1 LYS 13 5.181 -4.889 -34.906 107 HZ1 LYS 13 HZ1 LYS 13 4.611 -6.756 -33.492 108 HZ2 LYS 13 HZ2 LYS 13 4.768 -7.266 -35.095 109 HZ3 LYS 13 HZ3 LYS 13 3.231 -7.082 -34.420 110 H GLU 14 HN GLU 14 -0.026 -4.029 -33.877 111 HA GLU 14 HA GLU 14 0.353 -6.718 -34.967 112 HB2 GLU 14 HB2 GLU 14 1.106 -6.019 -32.618 113 HB3 GLU 14 HB1 GLU 14 -0.599 -5.993 -32.191 114 HG2 GLU 14 HG2 GLU 14 0.296 -8.082 -31.496 115 HG3 GLU 14 HG1 GLU 14 -0.739 -8.382 -32.891 116 H CYS 15 HN CYS 15 -2.169 -4.537 -33.760 117 HA CYS 15 HA CYS 15 -4.276 -6.440 -34.070 118 HB2 CYS 15 HB2 CYS 15 -5.757 -4.365 -33.852 119 HB3 CYS 15 HB1 CYS 15 -4.715 -4.754 -32.489 120 HG CYS 15 HG CYS 15 -3.533 -2.540 -34.768 121 H SER 16 HN SER 16 -2.633 -4.353 -36.244 122 HA SER 16 HA SER 16 -4.729 -4.547 -38.262 123 HB2 SER 16 HB2 SER 16 -3.026 -3.250 -39.653 124 HB3 SER 16 HB1 SER 16 -3.657 -2.423 -38.230 125 HG SER 16 HG SER 16 -1.740 -2.434 -37.371 126 H ILE 17 HN ILE 17 -4.812 -6.725 -38.730 127 HA ILE 17 HA ILE 17 -2.349 -8.108 -39.507 128 HB ILE 17 HB ILE 17 -5.136 -9.242 -39.156 129 HG12 ILE 17 HG12 ILE 17 -2.770 -9.332 -37.251 130 HG13 ILE 17 HG11 ILE 17 -4.199 -8.323 -37.046 131 HG21 ILE 17 HG21 ILE 17 -2.457 -10.618 -39.447 132 HG22 ILE 17 HG22 ILE 17 -3.755 -10.594 -40.641 133 HG23 ILE 17 HG23 ILE 17 -3.990 -11.423 -39.103 134 HD11 ILE 17 HD11 ILE 17 -5.584 -10.309 -36.834 135 HD12 ILE 17 HD12 ILE 17 -4.283 -10.311 -35.646 136 HD13 ILE 17 HD13 ILE 17 -4.172 -11.335 -37.076 137 H VAL 18 HN VAL 18 -5.670 -8.367 -40.773 138 HA VAL 18 HA VAL 18 -4.572 -8.708 -43.451 139 HB VAL 18 HB VAL 18 -6.797 -9.442 -44.117 140 HG11 VAL 18 HG11 VAL 18 -5.845 -10.728 -41.555 141 HG12 VAL 18 HG12 VAL 18 -5.302 -11.107 -43.190 142 HG13 VAL 18 HG13 VAL 18 -6.960 -11.462 -42.706 143 HG21 VAL 18 HG21 VAL 18 -8.158 -7.973 -42.726 144 HG22 VAL 18 HG22 VAL 18 -7.630 -8.825 -41.275 145 HG23 VAL 18 HG23 VAL 18 -8.620 -9.656 -42.475 146 H LYS 19 HN LYS 19 -5.168 -7.483 -45.214 147 HA LYS 19 HA LYS 19 -5.707 -4.712 -44.603 148 HB2 LYS 19 HB2 LYS 19 -5.144 -6.090 -47.241 149 HB3 LYS 19 HB1 LYS 19 -5.215 -4.348 -46.998 150 HG2 LYS 19 HG2 LYS 19 -3.270 -4.382 -45.609 151 HG3 LYS 19 HG1 LYS 19 -3.268 -6.145 -45.558 152 HD2 LYS 19 HD2 LYS 19 -2.804 -4.451 -48.024 153 HD3 LYS 19 HD1 LYS 19 -1.552 -5.273 -47.088 154 HE2 LYS 19 HE2 LYS 19 -3.830 -6.607 -48.564 155 HE3 LYS 19 HE1 LYS 19 -2.150 -6.545 -49.095 156 HZ1 LYS 19 HZ1 LYS 19 -3.144 -7.881 -46.631 157 HZ2 LYS 19 HZ2 LYS 19 -1.526 -7.805 -47.120 158 HZ3 LYS 19 HZ3 LYS 19 -2.651 -8.652 -48.056 159 H ASN 20 HN ASN 20 -7.786 -4.568 -44.011 160 HA ASN 20 HA ASN 20 -9.696 -4.175 -46.049 161 HB2 ASN 20 HB2 ASN 20 -9.900 -6.625 -45.996 162 HB3 ASN 20 HB1 ASN 20 -10.160 -6.580 -44.255 163 HD21 ASN 20 HD21 ASN 20 -11.527 -5.773 -47.372 164 HD22 ASN 20 HD22 ASN 20 -13.166 -5.652 -46.835 165 H TYR 21 HN TYR 21 -10.246 -5.413 -42.792 166 HA TYR 21 HA TYR 21 -10.348 -2.770 -41.627 167 HB2 TYR 21 HB2 TYR 21 -12.804 -4.534 -41.671 168 HB3 TYR 21 HB1 TYR 21 -12.583 -3.165 -40.589 169 HD1 TYR 21 HD1 TYR 21 -13.797 -4.203 -43.780 170 HD2 TYR 21 HD2 TYR 21 -12.186 -0.852 -41.701 171 HE1 TYR 21 HE1 TYR 21 -14.725 -2.702 -45.493 172 HE2 TYR 21 HE2 TYR 21 -13.112 0.656 -43.410 173 HH TYR 21 HH TYR 21 -13.807 0.542 -45.797 174 H ARG 22 HN ARG 22 -9.935 -2.827 -39.489 175 HA ARG 22 HA ARG 22 -9.846 -5.293 -38.014 176 HB2 ARG 22 HB2 ARG 22 -7.424 -4.046 -39.232 177 HB3 ARG 22 HB1 ARG 22 -7.269 -4.800 -37.651 178 HG2 ARG 22 HG2 ARG 22 -8.248 -6.156 -40.166 179 HG3 ARG 22 HG1 ARG 22 -6.641 -6.335 -39.454 180 HD2 ARG 22 HD2 ARG 22 -7.496 -7.459 -37.561 181 HD3 ARG 22 HD1 ARG 22 -9.156 -6.982 -37.926 182 HE ARG 22 HE ARG 22 -8.709 -8.446 -40.038 183 HH11 ARG 22 HH11 ARG 22 -7.654 -9.111 -36.770 184 HH12 ARG 22 HH12 ARG 22 -7.736 -10.831 -36.959 185 HH21 ARG 22 HH21 ARG 22 -8.826 -10.718 -40.293 186 HH22 ARG 22 HH22 ARG 22 -8.386 -11.748 -38.965 187 H ALA 23 HN ALA 23 -8.829 -4.885 -35.816 188 HA ALA 23 HA ALA 23 -10.173 -2.703 -34.629 189 HB1 ALA 23 HB1 ALA 23 -8.015 -4.485 -33.478 190 HB2 ALA 23 HB2 ALA 23 -9.751 -4.794 -33.431 191 HB3 ALA 23 HB3 ALA 23 -9.077 -3.423 -32.549 192 H ARG 24 HN ARG 24 -9.504 -0.695 -34.117 193 HA ARG 24 HA ARG 24 -6.850 0.121 -35.068 194 HB2 ARG 24 HB2 ARG 24 -9.292 1.762 -34.330 195 HB3 ARG 24 HB1 ARG 24 -7.766 2.436 -34.891 196 HG2 ARG 24 HG2 ARG 24 -9.617 0.636 -36.454 197 HG3 ARG 24 HG1 ARG 24 -9.356 2.362 -36.710 198 HD2 ARG 24 HD2 ARG 24 -6.969 1.876 -37.209 199 HD3 ARG 24 HD1 ARG 24 -7.327 0.155 -37.074 200 HE ARG 24 HE ARG 24 -8.956 1.604 -38.985 201 HH11 ARG 24 HH11 ARG 24 -6.073 -0.340 -38.472 202 HH12 ARG 24 HH12 ARG 24 -5.882 -0.715 -40.157 203 HH21 ARG 24 HH21 ARG 24 -8.721 1.050 -41.199 204 HH22 ARG 24 HH22 ARG 24 -7.376 0.066 -41.696 205 H CYS 25 HN CYS 25 -5.270 0.351 -33.645 206 HA CYS 25 HA CYS 25 -5.973 0.512 -30.798 207 HB2 CYS 25 HB2 CYS 25 -3.401 -0.416 -32.095 208 HB3 CYS 25 HB1 CYS 25 -3.775 -0.478 -30.376 209 HG CYS 25 HG CYS 25 -5.746 -2.107 -32.619 210 H ARG 26 HN ARG 26 -5.022 1.957 -29.450 211 HA ARG 26 HA ARG 26 -3.188 3.979 -30.406 212 HB2 ARG 26 HB2 ARG 26 -4.741 5.828 -29.741 213 HB3 ARG 26 HB1 ARG 26 -5.285 4.926 -31.149 214 HG2 ARG 26 HG2 ARG 26 -6.793 3.616 -29.644 215 HG3 ARG 26 HG1 ARG 26 -6.330 4.693 -28.326 216 HD2 ARG 26 HD2 ARG 26 -7.222 6.604 -29.557 217 HD3 ARG 26 HD1 ARG 26 -7.640 5.552 -30.910 218 HE ARG 26 HE ARG 26 -8.824 4.774 -28.400 219 HH11 ARG 26 HH11 ARG 26 -9.216 6.749 -31.266 220 HH12 ARG 26 HH12 ARG 26 -10.943 6.835 -31.120 221 HH21 ARG 26 HH21 ARG 26 -11.077 4.859 -28.218 222 HH22 ARG 26 HH22 ARG 26 -12.013 5.746 -29.384 223 H LYS 27 HN LYS 27 -1.847 4.502 -28.787 224 HA LYS 27 HA LYS 27 -0.836 4.545 -26.748 225 HB2 LYS 27 HB2 LYS 27 -3.677 5.152 -25.888 226 HB3 LYS 27 HB1 LYS 27 -2.312 5.212 -24.787 227 HG2 LYS 27 HG2 LYS 27 -2.826 7.438 -25.490 228 HG3 LYS 27 HG1 LYS 27 -1.290 6.968 -26.220 229 HD2 LYS 27 HD2 LYS 27 -2.306 6.643 -28.349 230 HD3 LYS 27 HD1 LYS 27 -3.928 6.749 -27.667 231 HE2 LYS 27 HE2 LYS 27 -1.936 9.018 -27.711 232 HE3 LYS 27 HE1 LYS 27 -3.230 8.793 -28.889 233 HZ1 LYS 27 HZ1 LYS 27 -4.832 8.939 -27.070 234 HZ2 LYS 27 HZ2 LYS 27 -3.910 10.346 -27.198 235 HZ3 LYS 27 HZ3 LYS 27 -3.583 9.231 -25.971 236 H GLY 28 HN GLY 28 -1.698 1.972 -27.742 237 HA2 GLY 28 HA2 GLY 28 -1.329 -0.165 -26.905 238 HA3 GLY 28 HA1 GLY 28 -1.414 0.477 -25.273 239 H TYR 29 HN TYR 29 -4.093 1.747 -26.446 240 HA TYR 29 HA TYR 29 -5.768 -0.463 -25.521 241 HB2 TYR 29 HB2 TYR 29 -6.625 2.325 -26.348 242 HB3 TYR 29 HB1 TYR 29 -7.570 1.152 -25.438 243 HD1 TYR 29 HD1 TYR 29 -5.320 3.915 -25.233 244 HD2 TYR 29 HD2 TYR 29 -6.672 0.474 -23.106 245 HE1 TYR 29 HE1 TYR 29 -4.484 4.886 -23.138 246 HE2 TYR 29 HE2 TYR 29 -5.835 1.443 -21.004 247 HH TYR 29 HH TYR 29 -4.142 3.108 -20.281 248 H CYS 30 HN CYS 30 -7.238 -1.548 -26.848 249 HA CYS 30 HA CYS 30 -6.991 -0.970 -29.724 250 HB2 CYS 30 HB2 CYS 30 -7.696 -3.290 -30.103 251 HB3 CYS 30 HB1 CYS 30 -6.270 -3.220 -29.076 252 HG CYS 30 HG CYS 30 -8.755 -3.218 -27.036 253 H VAL 31 HN VAL 31 -8.678 -0.287 -30.849 254 HA VAL 31 HA VAL 31 -11.354 -0.348 -29.627 255 HB VAL 31 HB VAL 31 -10.466 1.214 -32.061 256 HG11 VAL 31 HG11 VAL 31 -12.528 2.492 -31.712 257 HG12 VAL 31 HG12 VAL 31 -12.935 1.468 -30.335 258 HG13 VAL 31 HG13 VAL 31 -12.873 0.780 -31.957 259 HG21 VAL 31 HG21 VAL 31 -10.416 3.194 -30.588 260 HG22 VAL 31 HG22 VAL 31 -9.216 1.990 -30.121 261 HG23 VAL 31 HG23 VAL 31 -10.708 2.153 -29.194 262 H ARG 32 HN ARG 32 -12.447 -2.076 -30.190 263 HA ARG 32 HA ARG 32 -12.457 -2.970 -32.986 264 HB2 ARG 32 HB2 ARG 32 -12.495 -5.328 -32.198 265 HB3 ARG 32 HB1 ARG 32 -10.990 -4.505 -31.819 266 HG2 ARG 32 HG2 ARG 32 -11.788 -4.168 -29.504 267 HG3 ARG 32 HG1 ARG 32 -13.257 -5.059 -29.902 268 HD2 ARG 32 HD2 ARG 32 -11.714 -6.530 -28.774 269 HD3 ARG 32 HD1 ARG 32 -11.864 -7.033 -30.457 270 HE ARG 32 HE ARG 32 -9.689 -5.343 -30.371 271 HH11 ARG 32 HH11 ARG 32 -10.570 -8.347 -28.787 272 HH12 ARG 32 HH12 ARG 32 -8.933 -8.920 -28.708 273 HH21 ARG 32 HH21 ARG 32 -7.526 -6.133 -30.253 274 HH22 ARG 32 HH22 ARG 32 -7.227 -7.688 -29.545 275 H ARG 33 HN ARG 33 -14.469 -2.854 -33.738 276 HA ARG 33 HA ARG 33 -16.712 -3.391 -31.895 277 HB2 ARG 33 HB2 ARG 33 -16.791 -1.588 -34.332 278 HB3 ARG 33 HB1 ARG 33 -18.089 -1.856 -33.178 279 HG2 ARG 33 HG2 ARG 33 -16.654 -0.827 -31.418 280 HG3 ARG 33 HG1 ARG 33 -15.479 -0.435 -32.677 281 HD2 ARG 33 HD2 ARG 33 -18.304 0.579 -32.389 282 HD3 ARG 33 HD1 ARG 33 -16.809 1.511 -32.331 283 HE ARG 33 HE ARG 33 -17.464 0.123 -34.828 284 HH11 ARG 33 HH11 ARG 33 -17.209 3.142 -33.079 285 HH12 ARG 33 HH12 ARG 33 -17.386 4.122 -34.496 286 HH21 ARG 33 HH21 ARG 33 -17.717 1.413 -36.695 287 HH22 ARG 33 HH22 ARG 33 -17.704 3.144 -36.541 288 H ARG 34 HN ARG 34 -16.968 -5.539 -32.360 289 HA ARG 34 HA ARG 34 -17.199 -6.425 -35.116 290 HB2 ARG 34 HB2 ARG 34 -16.086 -7.895 -33.503 291 HB3 ARG 34 HB1 ARG 34 -17.540 -7.943 -32.513 292 HG2 ARG 34 HG2 ARG 34 -17.309 -9.977 -33.823 293 HG3 ARG 34 HG1 ARG 34 -18.743 -9.075 -34.315 294 HD2 ARG 34 HD2 ARG 34 -17.594 -9.911 -36.276 295 HD3 ARG 34 HD1 ARG 34 -17.477 -8.153 -36.227 296 HE ARG 34 HE ARG 34 -15.231 -9.531 -35.052 297 HH11 ARG 34 HH11 ARG 34 -16.560 -8.156 -37.988 298 HH12 ARG 34 HH12 ARG 34 -15.024 -8.048 -38.781 299 HH21 ARG 34 HH21 ARG 34 -13.214 -9.390 -36.091 300 HH22 ARG 34 HH22 ARG 34 -13.126 -8.770 -37.714 301 H ILE 35 HN ILE 35 -19.031 -5.681 -36.053 302 HA ILE 35 HA ILE 35 -21.567 -6.417 -34.794 303 HB ILE 35 HB ILE 35 -21.487 -4.049 -34.666 304 HG12 ILE 35 HG12 ILE 35 -23.003 -4.796 -37.164 305 HG13 ILE 35 HG11 ILE 35 -23.593 -4.974 -35.518 306 HG21 ILE 35 HG21 ILE 35 -19.597 -3.638 -36.145 307 HG22 ILE 35 HG22 ILE 35 -20.946 -2.586 -36.569 308 HG23 ILE 35 HG23 ILE 35 -20.592 -4.006 -37.552 309 HD11 ILE 35 HD11 ILE 35 -22.962 -2.379 -36.908 310 HD12 ILE 35 HD12 ILE 35 -23.523 -2.540 -35.242 311 HD13 ILE 35 HD13 ILE 35 -24.568 -3.030 -36.577 312 H ARG 36 HN ARG 36 -21.326 -8.399 -35.914 313 HA ARG 36 HA ARG 36 -22.264 -8.325 -38.678 314 HB2 ARG 36 HB2 ARG 36 -19.811 -9.870 -37.782 315 HB3 ARG 36 HB1 ARG 36 -20.634 -10.127 -39.312 316 HG2 ARG 36 HG2 ARG 36 -19.358 -7.522 -38.480 317 HG3 ARG 36 HG1 ARG 36 -18.583 -8.744 -39.488 318 HD2 ARG 36 HD2 ARG 36 -20.402 -8.496 -41.145 319 HD3 ARG 36 HD1 ARG 36 -21.114 -7.225 -40.150 320 HE ARG 36 HE ARG 36 -18.999 -5.969 -40.527 321 HH11 ARG 36 HH11 ARG 36 -20.037 -8.414 -42.813 322 HH12 ARG 36 HH12 ARG 36 -19.098 -7.768 -44.122 323 HH21 ARG 36 HH21 ARG 36 -17.761 -5.115 -42.261 324 HH22 ARG 36 HH22 ARG 36 -17.817 -5.898 -43.810 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -15.285 -4.427 -3.719 2 H2 ALA 1 HT2 ALA 1 -13.973 -3.406 -4.016 3 H3 ALA 1 HT3 ALA 1 -13.810 -4.705 -2.942 4 HA ALA 1 HA ALA 1 -12.762 -5.154 -5.072 5 HB1 ALA 1 HB1 ALA 1 -15.197 -6.841 -4.484 6 HB2 ALA 1 HB2 ALA 1 -13.612 -7.004 -3.725 7 HB3 ALA 1 HB3 ALA 1 -13.805 -7.339 -5.445 8 H PHE 2 HN PHE 2 -12.831 -5.133 -7.257 9 HA PHE 2 HA PHE 2 -15.374 -4.434 -8.561 10 HB2 PHE 2 HB2 PHE 2 -14.025 -3.076 -10.195 11 HB3 PHE 2 HB1 PHE 2 -14.073 -2.410 -8.571 12 HD1 PHE 2 HD1 PHE 2 -12.072 -2.589 -7.098 13 HD2 PHE 2 HD2 PHE 2 -11.956 -3.723 -11.208 14 HE1 PHE 2 HE1 PHE 2 -9.614 -2.476 -7.059 15 HE2 PHE 2 HE2 PHE 2 -9.498 -3.619 -11.165 16 HZ PHE 2 HZ PHE 2 -8.325 -2.996 -9.093 17 H ILE 3 HN ILE 3 -15.950 -5.930 -10.009 18 HA ILE 3 HA ILE 3 -14.023 -8.021 -10.601 19 HB ILE 3 HB ILE 3 -15.960 -9.320 -11.387 20 HG12 ILE 3 HG12 ILE 3 -17.604 -6.893 -10.604 21 HG13 ILE 3 HG11 ILE 3 -17.311 -7.428 -12.255 22 HG21 ILE 3 HG21 ILE 3 -17.098 -9.557 -9.214 23 HG22 ILE 3 HG22 ILE 3 -16.369 -8.042 -8.680 24 HG23 ILE 3 HG23 ILE 3 -15.347 -9.435 -9.033 25 HD11 ILE 3 HD11 ILE 3 -19.516 -8.079 -11.478 26 HD12 ILE 3 HD12 ILE 3 -18.797 -8.983 -10.145 27 HD13 ILE 3 HD13 ILE 3 -18.517 -9.491 -11.812 28 H GLN 4 HN GLN 4 -13.659 -5.557 -11.912 29 HA GLN 4 HA GLN 4 -14.211 -6.314 -14.706 30 HB2 GLN 4 HB2 GLN 4 -15.406 -4.247 -14.020 31 HB3 GLN 4 HB1 GLN 4 -13.858 -3.497 -13.644 32 HG2 GLN 4 HG2 GLN 4 -13.178 -3.662 -15.974 33 HG3 GLN 4 HG1 GLN 4 -14.675 -4.500 -16.372 34 HE21 GLN 4 HE21 GLN 4 -15.247 -2.953 -17.878 35 HE22 GLN 4 HE22 GLN 4 -15.802 -1.376 -17.429 36 H LEU 5 HN LEU 5 -12.196 -7.590 -14.064 37 HA LEU 5 HA LEU 5 -9.706 -6.146 -14.240 38 HB2 LEU 5 HB2 LEU 5 -10.268 -9.103 -14.595 39 HB3 LEU 5 HB1 LEU 5 -8.681 -8.377 -14.420 40 HG LEU 5 HG LEU 5 -10.841 -8.429 -12.302 41 HD11 LEU 5 HD11 LEU 5 -9.318 -9.944 -11.116 42 HD12 LEU 5 HD12 LEU 5 -8.227 -9.929 -12.502 43 HD13 LEU 5 HD13 LEU 5 -9.844 -10.618 -12.659 44 HD21 LEU 5 HD21 LEU 5 -9.496 -6.400 -12.149 45 HD22 LEU 5 HD22 LEU 5 -8.017 -7.360 -12.184 46 HD23 LEU 5 HD23 LEU 5 -9.125 -7.495 -10.818 47 H SER 6 HN SER 6 -10.310 -4.917 -16.122 48 HA SER 6 HA SER 6 -10.900 -6.221 -18.597 49 HB2 SER 6 HB2 SER 6 -11.783 -3.995 -18.097 50 HB3 SER 6 HB1 SER 6 -10.153 -3.335 -18.039 51 HG SER 6 HG SER 6 -11.614 -3.330 -20.101 52 H LYS 7 HN LYS 7 -9.632 -6.599 -20.297 53 HA LYS 7 HA LYS 7 -6.771 -5.948 -20.115 54 HB2 LYS 7 HB2 LYS 7 -7.970 -8.635 -20.837 55 HB3 LYS 7 HB1 LYS 7 -6.302 -8.198 -21.179 56 HG2 LYS 7 HG2 LYS 7 -5.992 -7.797 -18.721 57 HG3 LYS 7 HG1 LYS 7 -7.601 -8.474 -18.473 58 HD2 LYS 7 HD2 LYS 7 -6.896 -10.598 -19.419 59 HD3 LYS 7 HD1 LYS 7 -5.312 -9.927 -19.817 60 HE2 LYS 7 HE2 LYS 7 -4.957 -9.519 -17.378 61 HE3 LYS 7 HE1 LYS 7 -6.463 -10.379 -17.063 62 HZ1 LYS 7 HZ1 LYS 7 -4.084 -11.529 -18.420 63 HZ2 LYS 7 HZ2 LYS 7 -5.514 -12.356 -18.057 64 HZ3 LYS 7 HZ3 LYS 7 -4.517 -11.800 -16.810 65 HA PRO 8 HA PRO 8 -7.961 -4.374 -24.190 66 HB2 PRO 8 HB2 PRO 8 -5.264 -3.195 -24.104 67 HB3 PRO 8 HB1 PRO 8 -6.831 -2.390 -24.212 68 HG2 PRO 8 HG2 PRO 8 -5.322 -2.263 -21.985 69 HG3 PRO 8 HG1 PRO 8 -7.095 -2.309 -21.916 70 HD2 PRO 8 HD2 PRO 8 -5.126 -4.545 -21.507 71 HD3 PRO 8 HD1 PRO 8 -6.566 -4.126 -20.549 72 H CYS 9 HN CYS 9 -5.638 -3.908 -25.900 73 HA CYS 9 HA CYS 9 -4.788 -6.681 -26.431 74 HB2 CYS 9 HB2 CYS 9 -5.665 -4.650 -28.504 75 HB3 CYS 9 HB1 CYS 9 -5.092 -6.280 -28.834 76 HG CYS 9 HG CYS 9 -7.992 -5.795 -29.050 77 H ILE 10 HN ILE 10 -2.986 -6.618 -28.182 78 HA ILE 10 HA ILE 10 -0.799 -5.109 -27.171 79 HB ILE 10 HB ILE 10 -0.912 -6.547 -29.842 80 HG12 ILE 10 HG12 ILE 10 -1.722 -8.063 -28.080 81 HG13 ILE 10 HG11 ILE 10 -0.142 -8.570 -28.666 82 HG21 ILE 10 HG21 ILE 10 1.089 -5.241 -29.611 83 HG22 ILE 10 HG22 ILE 10 1.515 -6.934 -29.382 84 HG23 ILE 10 HG23 ILE 10 1.374 -5.866 -27.986 85 HD11 ILE 10 HD11 ILE 10 0.902 -7.590 -26.691 86 HD12 ILE 10 HD12 ILE 10 -0.315 -8.789 -26.258 87 HD13 ILE 10 HD13 ILE 10 -0.681 -7.071 -26.110 88 H SER 11 HN SER 11 0.568 -3.706 -28.716 89 HA SER 11 HA SER 11 -0.813 -1.391 -29.275 90 HB2 SER 11 HB2 SER 11 1.825 -2.266 -30.478 91 HB3 SER 11 HB1 SER 11 1.247 -0.608 -30.330 92 HG SER 11 HG SER 11 2.730 -1.350 -28.651 93 H ASP 12 HN ASP 12 -0.995 -0.214 -31.304 94 HA ASP 12 HA ASP 12 -2.722 -1.471 -33.076 95 HB2 ASP 12 HB2 ASP 12 -2.487 0.572 -34.465 96 HB3 ASP 12 HB1 ASP 12 -2.757 0.926 -32.762 97 H LYS 13 HN LYS 13 0.767 -1.012 -33.288 98 HA LYS 13 HA LYS 13 1.201 -1.691 -35.948 99 HB2 LYS 13 HB2 LYS 13 2.996 -0.879 -34.500 100 HB3 LYS 13 HB1 LYS 13 2.911 -2.345 -33.530 101 HG2 LYS 13 HG2 LYS 13 3.612 -3.667 -35.479 102 HG3 LYS 13 HG1 LYS 13 3.727 -2.185 -36.430 103 HD2 LYS 13 HD2 LYS 13 5.460 -1.338 -34.924 104 HD3 LYS 13 HD1 LYS 13 5.328 -2.795 -33.934 105 HE2 LYS 13 HE2 LYS 13 6.045 -4.154 -35.851 106 HE3 LYS 13 HE1 LYS 13 6.183 -2.693 -36.831 107 HZ1 LYS 13 HZ1 LYS 13 7.910 -1.892 -35.377 108 HZ2 LYS 13 HZ2 LYS 13 8.324 -3.436 -35.932 109 HZ3 LYS 13 HZ3 LYS 13 7.738 -3.230 -34.360 110 H GLU 14 HN GLU 14 0.560 -3.718 -33.159 111 HA GLU 14 HA GLU 14 1.033 -6.195 -34.571 112 HB2 GLU 14 HB2 GLU 14 1.484 -6.002 -32.153 113 HB3 GLU 14 HB1 GLU 14 -0.212 -5.648 -31.860 114 HG2 GLU 14 HG2 GLU 14 0.256 -7.934 -31.287 115 HG3 GLU 14 HG1 GLU 14 -0.807 -7.883 -32.695 116 H CYS 15 HN CYS 15 -1.722 -4.336 -33.358 117 HA CYS 15 HA CYS 15 -3.718 -6.156 -34.256 118 HB2 CYS 15 HB2 CYS 15 -3.898 -3.213 -33.588 119 HB3 CYS 15 HB1 CYS 15 -5.285 -4.265 -33.860 120 HG CYS 15 HG CYS 15 -3.489 -3.812 -31.114 121 H SER 16 HN SER 16 -1.777 -3.921 -35.926 122 HA SER 16 HA SER 16 -3.532 -3.231 -38.039 123 HB2 SER 16 HB2 SER 16 -1.481 -1.946 -37.574 124 HB3 SER 16 HB1 SER 16 -0.495 -3.348 -37.994 125 HG SER 16 HG SER 16 -0.990 -3.105 -40.081 126 H ILE 17 HN ILE 17 -4.570 -5.148 -38.590 127 HA ILE 17 HA ILE 17 -2.945 -7.130 -40.060 128 HB ILE 17 HB ILE 17 -4.705 -8.787 -39.532 129 HG12 ILE 17 HG12 ILE 17 -5.842 -6.587 -37.770 130 HG13 ILE 17 HG11 ILE 17 -6.587 -7.220 -39.233 131 HG21 ILE 17 HG21 ILE 17 -2.718 -8.655 -38.118 132 HG22 ILE 17 HG22 ILE 17 -4.133 -9.109 -37.170 133 HG23 ILE 17 HG23 ILE 17 -3.514 -7.459 -37.091 134 HD11 ILE 17 HD11 ILE 17 -7.648 -8.126 -37.251 135 HD12 ILE 17 HD12 ILE 17 -6.102 -8.765 -36.692 136 HD13 ILE 17 HD13 ILE 17 -6.841 -9.403 -38.161 137 H VAL 18 HN VAL 18 -4.892 -8.509 -41.346 138 HA VAL 18 HA VAL 18 -5.535 -6.939 -43.577 139 HB VAL 18 HB VAL 18 -6.995 -8.823 -44.270 140 HG11 VAL 18 HG11 VAL 18 -4.622 -8.924 -44.773 141 HG12 VAL 18 HG12 VAL 18 -5.217 -10.537 -44.373 142 HG13 VAL 18 HG13 VAL 18 -4.288 -9.618 -43.188 143 HG21 VAL 18 HG21 VAL 18 -7.916 -9.454 -42.111 144 HG22 VAL 18 HG22 VAL 18 -6.322 -9.948 -41.541 145 HG23 VAL 18 HG23 VAL 18 -7.110 -10.843 -42.841 146 H LYS 19 HN LYS 19 -7.612 -6.296 -44.378 147 HA LYS 19 HA LYS 19 -9.147 -4.968 -42.351 148 HB2 LYS 19 HB2 LYS 19 -9.864 -5.064 -45.278 149 HB3 LYS 19 HB1 LYS 19 -10.176 -3.775 -44.117 150 HG2 LYS 19 HG2 LYS 19 -7.767 -3.292 -44.022 151 HG3 LYS 19 HG1 LYS 19 -7.473 -4.571 -45.202 152 HD2 LYS 19 HD2 LYS 19 -9.065 -3.290 -46.740 153 HD3 LYS 19 HD1 LYS 19 -8.906 -1.950 -45.599 154 HE2 LYS 19 HE2 LYS 19 -6.706 -3.273 -47.187 155 HE3 LYS 19 HE1 LYS 19 -7.327 -1.638 -47.390 156 HZ1 LYS 19 HZ1 LYS 19 -5.898 -2.649 -44.993 157 HZ2 LYS 19 HZ2 LYS 19 -6.470 -1.072 -45.213 158 HZ3 LYS 19 HZ3 LYS 19 -5.231 -1.667 -46.198 159 H ASN 20 HN ASN 20 -9.208 -7.981 -43.560 160 HA ASN 20 HA ASN 20 -11.968 -8.518 -43.924 161 HB2 ASN 20 HB2 ASN 20 -9.697 -10.408 -43.235 162 HB3 ASN 20 HB1 ASN 20 -11.299 -10.906 -43.769 163 HD21 ASN 20 HD21 ASN 20 -10.426 -11.955 -45.576 164 HD22 ASN 20 HD22 ASN 20 -9.820 -11.085 -46.942 165 H TYR 21 HN TYR 21 -9.869 -8.373 -41.145 166 HA TYR 21 HA TYR 21 -12.217 -8.902 -39.430 167 HB2 TYR 21 HB2 TYR 21 -9.278 -9.061 -38.725 168 HB3 TYR 21 HB1 TYR 21 -10.599 -9.223 -37.574 169 HD1 TYR 21 HD1 TYR 21 -12.421 -11.074 -38.369 170 HD2 TYR 21 HD2 TYR 21 -8.297 -11.035 -39.438 171 HE1 TYR 21 HE1 TYR 21 -12.511 -13.494 -38.790 172 HE2 TYR 21 HE2 TYR 21 -8.382 -13.457 -39.862 173 HH TYR 21 HH TYR 21 -11.239 -15.171 -40.189 174 H ARG 22 HN ARG 22 -12.694 -7.383 -37.822 175 HA ARG 22 HA ARG 22 -11.418 -4.767 -38.262 176 HB2 ARG 22 HB2 ARG 22 -14.269 -5.473 -37.647 177 HB3 ARG 22 HB1 ARG 22 -13.647 -3.838 -37.483 178 HG2 ARG 22 HG2 ARG 22 -13.658 -5.453 -40.031 179 HG3 ARG 22 HG1 ARG 22 -14.813 -4.198 -39.603 180 HD2 ARG 22 HD2 ARG 22 -13.226 -3.220 -41.084 181 HD3 ARG 22 HD1 ARG 22 -12.909 -2.581 -39.472 182 HE ARG 22 HE ARG 22 -11.310 -4.881 -40.130 183 HH11 ARG 22 HH11 ARG 22 -11.538 -1.413 -40.484 184 HH12 ARG 22 HH12 ARG 22 -9.827 -1.176 -40.616 185 HH21 ARG 22 HH21 ARG 22 -9.051 -4.592 -40.311 186 HH22 ARG 22 HH22 ARG 22 -8.408 -2.990 -40.524 187 H ALA 23 HN ALA 23 -10.101 -4.385 -36.739 188 HA ALA 23 HA ALA 23 -11.026 -4.122 -34.012 189 HB1 ALA 23 HB1 ALA 23 -10.203 -6.440 -34.019 190 HB2 ALA 23 HB2 ALA 23 -9.172 -5.401 -33.035 191 HB3 ALA 23 HB3 ALA 23 -8.649 -5.890 -34.648 192 H ARG 24 HN ARG 24 -10.455 -2.083 -33.607 193 HA ARG 24 HA ARG 24 -8.023 -1.012 -34.884 194 HB2 ARG 24 HB2 ARG 24 -10.265 -0.012 -35.490 195 HB3 ARG 24 HB1 ARG 24 -10.388 0.553 -33.831 196 HG2 ARG 24 HG2 ARG 24 -8.397 1.924 -34.124 197 HG3 ARG 24 HG1 ARG 24 -8.208 1.320 -35.772 198 HD2 ARG 24 HD2 ARG 24 -10.518 2.242 -36.244 199 HD3 ARG 24 HD1 ARG 24 -10.430 3.039 -34.673 200 HE ARG 24 HE ARG 24 -8.141 3.807 -35.965 201 HH11 ARG 24 HH11 ARG 24 -11.576 4.040 -36.637 202 HH12 ARG 24 HH12 ARG 24 -11.408 5.457 -37.625 203 HH21 ARG 24 HH21 ARG 24 -7.945 5.688 -37.278 204 HH22 ARG 24 HH22 ARG 24 -9.369 6.376 -37.992 205 H CYS 25 HN CYS 25 -6.451 -1.301 -33.423 206 HA CYS 25 HA CYS 25 -6.904 -0.618 -30.619 207 HB2 CYS 25 HB2 CYS 25 -4.472 -1.823 -31.973 208 HB3 CYS 25 HB1 CYS 25 -4.670 -1.592 -30.238 209 HG CYS 25 HG CYS 25 -6.319 -3.803 -32.252 210 H ARG 26 HN ARG 26 -5.790 0.985 -29.558 211 HA ARG 26 HA ARG 26 -3.644 2.450 -30.650 212 HB2 ARG 26 HB2 ARG 26 -5.547 3.347 -32.048 213 HB3 ARG 26 HB1 ARG 26 -6.279 3.953 -30.570 214 HG2 ARG 26 HG2 ARG 26 -5.143 5.761 -31.641 215 HG3 ARG 26 HG1 ARG 26 -4.237 5.331 -30.191 216 HD2 ARG 26 HD2 ARG 26 -2.628 5.674 -31.899 217 HD3 ARG 26 HD1 ARG 26 -2.747 3.927 -31.690 218 HE ARG 26 HE ARG 26 -4.528 4.633 -33.704 219 HH11 ARG 26 HH11 ARG 26 -1.062 4.616 -33.178 220 HH12 ARG 26 HH12 ARG 26 -0.682 4.514 -34.867 221 HH21 ARG 26 HH21 ARG 26 -4.026 4.530 -35.923 222 HH22 ARG 26 HH22 ARG 26 -2.365 4.514 -36.431 223 H LYS 27 HN LYS 27 -2.687 3.706 -29.092 224 HA LYS 27 HA LYS 27 -2.167 4.526 -27.040 225 HB2 LYS 27 HB2 LYS 27 -5.171 4.840 -26.803 226 HB3 LYS 27 HB1 LYS 27 -3.980 5.639 -25.785 227 HG2 LYS 27 HG2 LYS 27 -3.186 6.960 -27.601 228 HG3 LYS 27 HG1 LYS 27 -4.101 6.008 -28.771 229 HD2 LYS 27 HD2 LYS 27 -5.206 8.144 -28.361 230 HD3 LYS 27 HD1 LYS 27 -6.203 6.811 -27.777 231 HE2 LYS 27 HE2 LYS 27 -6.217 8.632 -26.171 232 HE3 LYS 27 HE1 LYS 27 -5.393 7.231 -25.489 233 HZ1 LYS 27 HZ1 LYS 27 -3.300 8.240 -25.848 234 HZ2 LYS 27 HZ2 LYS 27 -4.272 9.395 -25.097 235 HZ3 LYS 27 HZ3 LYS 27 -3.967 9.498 -26.758 236 H GLY 28 HN GLY 28 -2.587 1.672 -27.334 237 HA2 GLY 28 HA2 GLY 28 -2.182 -0.042 -25.811 238 HA3 GLY 28 HA1 GLY 28 -2.687 1.016 -24.505 239 H TYR 29 HN TYR 29 -5.178 1.466 -26.420 240 HA TYR 29 HA TYR 29 -6.675 -0.799 -25.262 241 HB2 TYR 29 HB2 TYR 29 -7.587 1.955 -26.146 242 HB3 TYR 29 HB1 TYR 29 -8.690 0.674 -25.648 243 HD1 TYR 29 HD1 TYR 29 -5.928 2.860 -24.467 244 HD2 TYR 29 HD2 TYR 29 -9.101 0.254 -23.335 245 HE1 TYR 29 HE1 TYR 29 -5.651 3.546 -22.123 246 HE2 TYR 29 HE2 TYR 29 -8.831 0.937 -20.986 247 HH TYR 29 HH TYR 29 -6.772 3.586 -20.070 248 H CYS 30 HN CYS 30 -8.667 -1.423 -26.637 249 HA CYS 30 HA CYS 30 -8.102 -1.307 -29.501 250 HB2 CYS 30 HB2 CYS 30 -8.213 -3.764 -29.723 251 HB3 CYS 30 HB1 CYS 30 -6.834 -3.242 -28.763 252 HG CYS 30 HG CYS 30 -7.367 -4.608 -26.672 253 H VAL 31 HN VAL 31 -9.939 -0.832 -30.475 254 HA VAL 31 HA VAL 31 -12.499 -1.686 -29.363 255 HB VAL 31 HB VAL 31 -11.974 -0.165 -31.920 256 HG11 VAL 31 HG11 VAL 31 -14.139 -1.233 -31.922 257 HG12 VAL 31 HG12 VAL 31 -14.345 0.506 -31.718 258 HG13 VAL 31 HG13 VAL 31 -14.508 -0.569 -30.329 259 HG21 VAL 31 HG21 VAL 31 -12.733 0.954 -29.219 260 HG22 VAL 31 HG22 VAL 31 -12.502 1.874 -30.706 261 HG23 VAL 31 HG23 VAL 31 -11.131 1.064 -29.948 262 H ARG 32 HN ARG 32 -13.018 -3.706 -29.758 263 HA ARG 32 HA ARG 32 -12.224 -4.950 -32.311 264 HB2 ARG 32 HB2 ARG 32 -12.515 -7.132 -30.911 265 HB3 ARG 32 HB1 ARG 32 -11.058 -6.169 -30.716 266 HG2 ARG 32 HG2 ARG 32 -12.100 -5.115 -28.706 267 HG3 ARG 32 HG1 ARG 32 -13.444 -6.246 -28.874 268 HD2 ARG 32 HD2 ARG 32 -12.078 -8.110 -28.406 269 HD3 ARG 32 HD1 ARG 32 -10.594 -7.195 -28.673 270 HE ARG 32 HE ARG 32 -12.200 -6.216 -26.489 271 HH11 ARG 32 HH11 ARG 32 -9.775 -8.577 -27.378 272 HH12 ARG 32 HH12 ARG 32 -9.024 -8.583 -25.815 273 HH21 ARG 32 HH21 ARG 32 -11.229 -6.238 -24.417 274 HH22 ARG 32 HH22 ARG 32 -9.839 -7.237 -24.132 275 H ARG 33 HN ARG 33 -13.839 -5.241 -33.659 276 HA ARG 33 HA ARG 33 -16.595 -5.246 -32.754 277 HB2 ARG 33 HB2 ARG 33 -15.993 -4.006 -34.780 278 HB3 ARG 33 HB1 ARG 33 -15.384 -5.475 -35.523 279 HG2 ARG 33 HG2 ARG 33 -17.489 -5.103 -36.496 280 HG3 ARG 33 HG1 ARG 33 -17.737 -6.403 -35.332 281 HD2 ARG 33 HD2 ARG 33 -18.360 -3.485 -34.825 282 HD3 ARG 33 HD1 ARG 33 -19.545 -4.695 -35.316 283 HE ARG 33 HE ARG 33 -18.144 -4.581 -32.719 284 HH11 ARG 33 HH11 ARG 33 -20.727 -5.848 -34.727 285 HH12 ARG 33 HH12 ARG 33 -21.611 -6.511 -33.387 286 HH21 ARG 33 HH21 ARG 33 -19.313 -5.469 -30.961 287 HH22 ARG 33 HH22 ARG 33 -20.823 -6.276 -31.259 288 H ARG 34 HN ARG 34 -17.467 -7.082 -32.025 289 HA ARG 34 HA ARG 34 -16.428 -9.647 -32.960 290 HB2 ARG 34 HB2 ARG 34 -18.298 -8.921 -30.699 291 HB3 ARG 34 HB1 ARG 34 -17.907 -10.579 -31.138 292 HG2 ARG 34 HG2 ARG 34 -15.504 -10.054 -30.709 293 HG3 ARG 34 HG1 ARG 34 -16.010 -8.473 -30.104 294 HD2 ARG 34 HD2 ARG 34 -15.670 -10.149 -28.299 295 HD3 ARG 34 HD1 ARG 34 -17.310 -9.498 -28.350 296 HE ARG 34 HE ARG 34 -17.371 -11.796 -29.876 297 HH11 ARG 34 HH11 ARG 34 -16.585 -11.027 -26.543 298 HH12 ARG 34 HH12 ARG 34 -17.149 -12.551 -25.931 299 HH21 ARG 34 HH21 ARG 34 -18.105 -13.769 -29.101 300 HH22 ARG 34 HH22 ARG 34 -18.024 -14.126 -27.400 301 H ILE 35 HN ILE 35 -17.364 -10.586 -34.628 302 HA ILE 35 HA ILE 35 -20.027 -10.001 -35.510 303 HB ILE 35 HB ILE 35 -18.227 -12.314 -36.301 304 HG12 ILE 35 HG12 ILE 35 -17.119 -10.164 -36.717 305 HG13 ILE 35 HG11 ILE 35 -17.578 -10.924 -38.236 306 HG21 ILE 35 HG21 ILE 35 -20.561 -12.686 -36.901 307 HG22 ILE 35 HG22 ILE 35 -19.579 -12.416 -38.339 308 HG23 ILE 35 HG23 ILE 35 -20.613 -11.126 -37.725 309 HD11 ILE 35 HD11 ILE 35 -18.002 -8.541 -38.290 310 HD12 ILE 35 HD12 ILE 35 -19.033 -8.670 -36.866 311 HD13 ILE 35 HD13 ILE 35 -19.519 -9.436 -38.379 312 H ARG 36 HN ARG 36 -18.528 -12.191 -33.340 313 HA ARG 36 HA ARG 36 -21.121 -13.262 -32.523 314 HB2 ARG 36 HB2 ARG 36 -18.687 -14.950 -33.165 315 HB3 ARG 36 HB1 ARG 36 -20.067 -15.541 -32.249 316 HG2 ARG 36 HG2 ARG 36 -21.526 -15.168 -34.165 317 HG3 ARG 36 HG1 ARG 36 -20.168 -14.524 -35.087 318 HD2 ARG 36 HD2 ARG 36 -20.340 -17.326 -33.979 319 HD3 ARG 36 HD1 ARG 36 -20.690 -16.875 -35.646 320 HE ARG 36 HE ARG 36 -18.091 -16.010 -34.894 321 HH11 ARG 36 HH11 ARG 36 -19.892 -18.878 -35.808 322 HH12 ARG 36 HH12 ARG 36 -18.494 -19.704 -36.423 323 HH21 ARG 36 HH21 ARG 36 -16.260 -17.102 -35.716 324 HH22 ARG 36 HH22 ARG 36 -16.439 -18.706 -36.361 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -17.916 5.795 -13.255 2 H2 ALA 1 HT2 ALA 1 -16.738 6.983 -13.022 3 H3 ALA 1 HT3 ALA 1 -17.007 5.814 -11.828 4 HA ALA 1 HA ALA 1 -15.918 5.353 -14.541 5 HB1 ALA 1 HB1 ALA 1 -13.856 4.733 -13.378 6 HB2 ALA 1 HB2 ALA 1 -14.608 5.105 -11.826 7 HB3 ALA 1 HB3 ALA 1 -14.316 6.392 -12.995 8 H PHE 2 HN PHE 2 -14.659 3.041 -14.179 9 HA PHE 2 HA PHE 2 -16.720 1.165 -13.219 10 HB2 PHE 2 HB2 PHE 2 -14.939 0.819 -15.658 11 HB3 PHE 2 HB1 PHE 2 -16.135 -0.334 -15.078 12 HD1 PHE 2 HD1 PHE 2 -15.557 2.632 -17.056 13 HD2 PHE 2 HD2 PHE 2 -18.569 0.260 -15.186 14 HE1 PHE 2 HE1 PHE 2 -17.270 3.710 -18.453 15 HE2 PHE 2 HE2 PHE 2 -20.284 1.337 -16.587 16 HZ PHE 2 HZ PHE 2 -19.634 3.063 -18.220 17 H ILE 3 HN ILE 3 -15.943 -0.030 -11.589 18 HA ILE 3 HA ILE 3 -13.100 0.073 -11.055 19 HB ILE 3 HB ILE 3 -13.691 -0.972 -8.864 20 HG12 ILE 3 HG12 ILE 3 -16.539 -0.751 -9.901 21 HG13 ILE 3 HG11 ILE 3 -15.668 -2.249 -9.594 22 HG21 ILE 3 HG21 ILE 3 -14.849 0.986 -7.949 23 HG22 ILE 3 HG22 ILE 3 -15.294 1.490 -9.580 24 HG23 ILE 3 HG23 ILE 3 -13.597 1.457 -9.096 25 HD11 ILE 3 HD11 ILE 3 -15.568 -1.673 -7.207 26 HD12 ILE 3 HD12 ILE 3 -17.222 -1.788 -7.812 27 HD13 ILE 3 HD13 ILE 3 -16.493 -0.207 -7.544 28 H GLN 4 HN GLN 4 -13.963 -1.482 -13.241 29 HA GLN 4 HA GLN 4 -13.487 -4.256 -12.394 30 HB2 GLN 4 HB2 GLN 4 -15.557 -3.906 -13.674 31 HB3 GLN 4 HB1 GLN 4 -14.638 -3.176 -14.984 32 HG2 GLN 4 HG2 GLN 4 -15.252 -5.479 -15.496 33 HG3 GLN 4 HG1 GLN 4 -13.503 -5.287 -15.398 34 HE21 GLN 4 HE21 GLN 4 -13.109 -7.432 -14.958 35 HE22 GLN 4 HE22 GLN 4 -13.532 -8.175 -13.454 36 H LEU 5 HN LEU 5 -11.502 -5.043 -12.725 37 HA LEU 5 HA LEU 5 -9.525 -3.549 -14.132 38 HB2 LEU 5 HB2 LEU 5 -8.962 -4.926 -12.181 39 HB3 LEU 5 HB1 LEU 5 -9.428 -6.373 -13.058 40 HG LEU 5 HG LEU 5 -7.584 -5.981 -14.667 41 HD11 LEU 5 HD11 LEU 5 -7.435 -3.553 -14.486 42 HD12 LEU 5 HD12 LEU 5 -5.872 -4.311 -14.190 43 HD13 LEU 5 HD13 LEU 5 -6.825 -3.704 -12.834 44 HD21 LEU 5 HD21 LEU 5 -7.203 -7.452 -12.785 45 HD22 LEU 5 HD22 LEU 5 -6.751 -6.084 -11.769 46 HD23 LEU 5 HD23 LEU 5 -5.736 -6.538 -13.137 47 H SER 6 HN SER 6 -10.076 -3.341 -16.270 48 HA SER 6 HA SER 6 -10.427 -5.711 -17.918 49 HB2 SER 6 HB2 SER 6 -10.241 -2.794 -18.727 50 HB3 SER 6 HB1 SER 6 -10.757 -4.127 -19.754 51 HG SER 6 HG SER 6 -12.405 -4.430 -17.959 52 H LYS 7 HN LYS 7 -8.891 -6.545 -19.251 53 HA LYS 7 HA LYS 7 -6.153 -5.737 -18.815 54 HB2 LYS 7 HB2 LYS 7 -5.627 -7.706 -20.280 55 HB3 LYS 7 HB1 LYS 7 -6.573 -8.095 -18.850 56 HG2 LYS 7 HG2 LYS 7 -8.624 -8.071 -20.281 57 HG3 LYS 7 HG1 LYS 7 -7.576 -7.861 -21.685 58 HD2 LYS 7 HD2 LYS 7 -8.190 -10.212 -21.401 59 HD3 LYS 7 HD1 LYS 7 -6.456 -9.988 -21.167 60 HE2 LYS 7 HE2 LYS 7 -6.772 -10.022 -18.739 61 HE3 LYS 7 HE1 LYS 7 -8.511 -10.217 -18.958 62 HZ1 LYS 7 HZ1 LYS 7 -8.124 -12.343 -20.004 63 HZ2 LYS 7 HZ2 LYS 7 -7.388 -12.319 -18.484 64 HZ3 LYS 7 HZ3 LYS 7 -6.449 -12.146 -19.881 65 HA PRO 8 HA PRO 8 -5.971 -3.032 -22.294 66 HB2 PRO 8 HB2 PRO 8 -3.287 -2.879 -22.633 67 HB3 PRO 8 HB1 PRO 8 -4.110 -2.145 -21.250 68 HG2 PRO 8 HG2 PRO 8 -2.657 -4.769 -21.410 69 HG3 PRO 8 HG1 PRO 8 -2.561 -3.515 -20.156 70 HD2 PRO 8 HD2 PRO 8 -4.070 -5.746 -19.864 71 HD3 PRO 8 HD1 PRO 8 -4.537 -4.185 -19.159 72 H CYS 9 HN CYS 9 -4.575 -2.865 -24.411 73 HA CYS 9 HA CYS 9 -4.794 -5.461 -25.790 74 HB2 CYS 9 HB2 CYS 9 -5.132 -2.702 -26.996 75 HB3 CYS 9 HB1 CYS 9 -5.443 -4.248 -27.780 76 HG CYS 9 HG CYS 9 -7.209 -3.849 -24.987 77 H ILE 10 HN ILE 10 -3.408 -5.564 -27.788 78 HA ILE 10 HA ILE 10 -0.683 -4.922 -26.986 79 HB ILE 10 HB ILE 10 -1.351 -7.226 -27.647 80 HG12 ILE 10 HG12 ILE 10 0.581 -7.700 -29.097 81 HG13 ILE 10 HG11 ILE 10 0.723 -5.988 -29.482 82 HG21 ILE 10 HG21 ILE 10 -1.692 -6.048 -30.407 83 HG22 ILE 10 HG22 ILE 10 -2.972 -6.683 -29.374 84 HG23 ILE 10 HG23 ILE 10 -1.734 -7.766 -30.007 85 HD11 ILE 10 HD11 ILE 10 2.368 -6.704 -27.828 86 HD12 ILE 10 HD12 ILE 10 1.067 -7.206 -26.748 87 HD13 ILE 10 HD13 ILE 10 1.263 -5.501 -27.160 88 H SER 11 HN SER 11 0.874 -4.311 -28.831 89 HA SER 11 HA SER 11 0.248 -1.789 -29.817 90 HB2 SER 11 HB2 SER 11 2.386 -3.668 -30.853 91 HB3 SER 11 HB1 SER 11 2.379 -1.906 -30.976 92 HG SER 11 HG SER 11 2.136 -2.195 -28.490 93 H ASP 12 HN ASP 12 0.272 -1.047 -32.059 94 HA ASP 12 HA ASP 12 -1.972 -1.994 -33.404 95 HB2 ASP 12 HB2 ASP 12 -1.566 -0.332 -35.044 96 HB3 ASP 12 HB1 ASP 12 -0.937 0.330 -33.542 97 H LYS 13 HN LYS 13 1.464 -2.549 -34.133 98 HA LYS 13 HA LYS 13 1.099 -3.859 -36.597 99 HB2 LYS 13 HB2 LYS 13 3.300 -4.035 -34.539 100 HB3 LYS 13 HB1 LYS 13 3.373 -4.896 -36.067 101 HG2 LYS 13 HG2 LYS 13 2.966 -1.921 -36.001 102 HG3 LYS 13 HG1 LYS 13 4.574 -2.623 -35.845 103 HD2 LYS 13 HD2 LYS 13 4.419 -2.215 -38.128 104 HD3 LYS 13 HD1 LYS 13 3.970 -3.914 -38.016 105 HE2 LYS 13 HE2 LYS 13 2.459 -2.835 -39.523 106 HE3 LYS 13 HE1 LYS 13 1.576 -3.210 -38.045 107 HZ1 LYS 13 HZ1 LYS 13 1.110 -0.975 -38.899 108 HZ2 LYS 13 HZ2 LYS 13 2.734 -0.555 -38.695 109 HZ3 LYS 13 HZ3 LYS 13 1.785 -0.932 -37.351 110 H GLU 14 HN GLU 14 0.601 -4.914 -33.352 111 HA GLU 14 HA GLU 14 0.450 -7.730 -34.154 112 HB2 GLU 14 HB2 GLU 14 0.177 -6.404 -31.448 113 HB3 GLU 14 HB1 GLU 14 0.102 -8.140 -31.728 114 HG2 GLU 14 HG2 GLU 14 2.477 -6.376 -32.300 115 HG3 GLU 14 HG1 GLU 14 2.287 -7.424 -30.895 116 H CYS 15 HN CYS 15 -1.536 -4.991 -33.416 117 HA CYS 15 HA CYS 15 -4.001 -6.427 -33.111 118 HB2 CYS 15 HB2 CYS 15 -3.464 -3.521 -33.776 119 HB3 CYS 15 HB1 CYS 15 -5.049 -4.185 -33.396 120 HG CYS 15 HG CYS 15 -2.382 -3.948 -31.268 121 H SER 16 HN SER 16 -2.013 -5.969 -35.723 122 HA SER 16 HA SER 16 -3.919 -5.435 -37.773 123 HB2 SER 16 HB2 SER 16 -1.176 -6.709 -38.003 124 HB3 SER 16 HB1 SER 16 -2.106 -5.981 -39.313 125 HG SER 16 HG SER 16 -1.684 -4.352 -37.112 126 H ILE 17 HN ILE 17 -5.577 -6.965 -37.196 127 HA ILE 17 HA ILE 17 -4.992 -9.689 -38.167 128 HB ILE 17 HB ILE 17 -5.502 -9.737 -35.779 129 HG12 ILE 17 HG12 ILE 17 -7.433 -11.313 -35.831 130 HG13 ILE 17 HG11 ILE 17 -7.767 -10.812 -37.485 131 HG21 ILE 17 HG21 ILE 17 -6.784 -7.700 -35.547 132 HG22 ILE 17 HG22 ILE 17 -7.717 -9.062 -34.922 133 HG23 ILE 17 HG23 ILE 17 -8.102 -8.380 -36.503 134 HD11 ILE 17 HD11 ILE 17 -6.583 -12.935 -37.397 135 HD12 ILE 17 HD12 ILE 17 -5.247 -12.169 -36.539 136 HD13 ILE 17 HD13 ILE 17 -5.615 -11.699 -38.200 137 H VAL 18 HN VAL 18 -5.992 -10.200 -39.987 138 HA VAL 18 HA VAL 18 -7.985 -8.417 -41.108 139 HB VAL 18 HB VAL 18 -6.767 -10.926 -42.290 140 HG11 VAL 18 HG11 VAL 18 -8.332 -8.697 -43.605 141 HG12 VAL 18 HG12 VAL 18 -8.891 -10.348 -43.341 142 HG13 VAL 18 HG13 VAL 18 -7.551 -10.038 -44.444 143 HG21 VAL 18 HG21 VAL 18 -6.001 -8.033 -42.714 144 HG22 VAL 18 HG22 VAL 18 -5.309 -9.420 -43.554 145 HG23 VAL 18 HG23 VAL 18 -5.066 -9.231 -41.818 146 H LYS 19 HN LYS 19 -9.997 -8.678 -40.402 147 HA LYS 19 HA LYS 19 -11.229 -11.337 -40.570 148 HB2 LYS 19 HB2 LYS 19 -11.472 -9.443 -38.213 149 HB3 LYS 19 HB1 LYS 19 -12.500 -10.847 -38.463 150 HG2 LYS 19 HG2 LYS 19 -9.509 -10.923 -38.079 151 HG3 LYS 19 HG1 LYS 19 -10.714 -11.266 -36.836 152 HD2 LYS 19 HD2 LYS 19 -11.541 -13.164 -38.134 153 HD3 LYS 19 HD1 LYS 19 -10.388 -12.803 -39.421 154 HE2 LYS 19 HE2 LYS 19 -9.578 -14.634 -38.034 155 HE3 LYS 19 HE1 LYS 19 -8.531 -13.227 -37.872 156 HZ1 LYS 19 HZ1 LYS 19 -8.915 -14.163 -35.728 157 HZ2 LYS 19 HZ2 LYS 19 -10.592 -14.145 -35.945 158 HZ3 LYS 19 HZ3 LYS 19 -9.742 -12.690 -35.800 159 H ASN 20 HN ASN 20 -13.776 -10.781 -39.913 160 HA ASN 20 HA ASN 20 -14.745 -9.205 -42.080 161 HB2 ASN 20 HB2 ASN 20 -15.933 -11.189 -41.057 162 HB3 ASN 20 HB1 ASN 20 -16.327 -10.171 -39.677 163 HD21 ASN 20 HD21 ASN 20 -17.881 -8.562 -39.904 164 HD22 ASN 20 HD22 ASN 20 -18.925 -8.465 -41.275 165 H TYR 21 HN TYR 21 -13.689 -8.463 -38.966 166 HA TYR 21 HA TYR 21 -14.619 -5.676 -39.258 167 HB2 TYR 21 HB2 TYR 21 -14.085 -7.191 -36.676 168 HB3 TYR 21 HB1 TYR 21 -14.488 -5.483 -36.783 169 HD1 TYR 21 HD1 TYR 21 -16.775 -4.776 -37.340 170 HD2 TYR 21 HD2 TYR 21 -15.794 -8.903 -36.920 171 HE1 TYR 21 HE1 TYR 21 -19.166 -5.320 -37.141 172 HE2 TYR 21 HE2 TYR 21 -18.183 -9.453 -36.718 173 HH TYR 21 HH TYR 21 -20.657 -7.247 -37.465 174 H ARG 22 HN ARG 22 -13.038 -4.189 -37.996 175 HA ARG 22 HA ARG 22 -10.340 -5.239 -37.745 176 HB2 ARG 22 HB2 ARG 22 -9.449 -3.172 -38.973 177 HB3 ARG 22 HB1 ARG 22 -10.097 -4.478 -39.950 178 HG2 ARG 22 HG2 ARG 22 -12.163 -3.250 -40.283 179 HG3 ARG 22 HG1 ARG 22 -11.587 -1.955 -39.228 180 HD2 ARG 22 HD2 ARG 22 -9.857 -1.362 -40.760 181 HD3 ARG 22 HD1 ARG 22 -10.128 -2.811 -41.725 182 HE ARG 22 HE ARG 22 -12.224 -1.846 -42.459 183 HH11 ARG 22 HH11 ARG 22 -10.039 0.371 -40.846 184 HH12 ARG 22 HH12 ARG 22 -10.665 1.771 -41.649 185 HH21 ARG 22 HH21 ARG 22 -13.031 -0.006 -43.528 186 HH22 ARG 22 HH22 ARG 22 -12.356 1.558 -43.184 187 H ALA 23 HN ALA 23 -8.946 -3.891 -36.482 188 HA ALA 23 HA ALA 23 -10.493 -2.217 -34.606 189 HB1 ALA 23 HB1 ALA 23 -9.916 -4.420 -33.681 190 HB2 ALA 23 HB2 ALA 23 -9.124 -3.109 -32.808 191 HB3 ALA 23 HB3 ALA 23 -8.209 -4.082 -33.962 192 H ARG 24 HN ARG 24 -9.337 -0.603 -33.463 193 HA ARG 24 HA ARG 24 -6.703 0.161 -34.549 194 HB2 ARG 24 HB2 ARG 24 -8.965 2.018 -33.744 195 HB3 ARG 24 HB1 ARG 24 -7.335 2.541 -34.147 196 HG2 ARG 24 HG2 ARG 24 -9.322 1.224 -35.994 197 HG3 ARG 24 HG1 ARG 24 -8.785 2.903 -36.030 198 HD2 ARG 24 HD2 ARG 24 -6.443 2.011 -36.425 199 HD3 ARG 24 HD1 ARG 24 -7.183 0.429 -36.674 200 HE ARG 24 HE ARG 24 -8.217 2.615 -38.293 201 HH11 ARG 24 HH11 ARG 24 -6.151 -0.210 -38.128 202 HH12 ARG 24 HH12 ARG 24 -5.935 -0.300 -39.849 203 HH21 ARG 24 HH21 ARG 24 -7.919 2.500 -40.540 204 HH22 ARG 24 HH22 ARG 24 -6.916 1.248 -41.215 205 H CYS 25 HN CYS 25 -5.171 0.363 -33.015 206 HA CYS 25 HA CYS 25 -6.052 0.212 -30.203 207 HB2 CYS 25 HB2 CYS 25 -3.570 -0.968 -31.471 208 HB3 CYS 25 HB1 CYS 25 -4.027 -1.111 -29.774 209 HG CYS 25 HG CYS 25 -5.117 -3.393 -30.205 210 H ARG 26 HN ARG 26 -5.311 1.657 -28.802 211 HA ARG 26 HA ARG 26 -2.793 3.019 -29.150 212 HB2 ARG 26 HB2 ARG 26 -3.783 5.296 -28.992 213 HB3 ARG 26 HB1 ARG 26 -4.176 4.480 -30.500 214 HG2 ARG 26 HG2 ARG 26 -6.404 3.934 -29.629 215 HG3 ARG 26 HG1 ARG 26 -6.009 4.750 -28.115 216 HD2 ARG 26 HD2 ARG 26 -7.350 6.172 -29.603 217 HD3 ARG 26 HD1 ARG 26 -5.759 6.867 -29.292 218 HE ARG 26 HE ARG 26 -5.715 5.308 -31.661 219 HH11 ARG 26 HH11 ARG 26 -6.890 8.371 -30.432 220 HH12 ARG 26 HH12 ARG 26 -6.793 9.172 -31.965 221 HH21 ARG 26 HH21 ARG 26 -5.599 6.343 -33.672 222 HH22 ARG 26 HH22 ARG 26 -6.058 8.013 -33.817 223 H LYS 27 HN LYS 27 -1.986 3.765 -27.222 224 HA LYS 27 HA LYS 27 -1.624 3.749 -24.983 225 HB2 LYS 27 HB2 LYS 27 -4.515 4.640 -24.914 226 HB3 LYS 27 HB1 LYS 27 -3.371 4.795 -23.589 227 HG2 LYS 27 HG2 LYS 27 -1.964 6.214 -25.159 228 HG3 LYS 27 HG1 LYS 27 -3.366 6.232 -26.229 229 HD2 LYS 27 HD2 LYS 27 -3.256 7.248 -23.383 230 HD3 LYS 27 HD1 LYS 27 -3.344 8.231 -24.844 231 HE2 LYS 27 HE2 LYS 27 -5.552 7.355 -25.337 232 HE3 LYS 27 HE1 LYS 27 -5.460 6.266 -23.952 233 HZ1 LYS 27 HZ1 LYS 27 -6.771 8.221 -23.442 234 HZ2 LYS 27 HZ2 LYS 27 -5.471 9.233 -23.825 235 HZ3 LYS 27 HZ3 LYS 27 -5.370 8.194 -22.497 236 H GLY 28 HN GLY 28 -2.490 1.228 -26.124 237 HA2 GLY 28 HA2 GLY 28 -2.779 -0.888 -25.254 238 HA3 GLY 28 HA1 GLY 28 -2.970 -0.166 -23.667 239 H TYR 29 HN TYR 29 -5.042 1.059 -26.113 240 HA TYR 29 HA TYR 29 -7.216 -0.761 -25.276 241 HB2 TYR 29 HB2 TYR 29 -7.290 2.218 -25.819 242 HB3 TYR 29 HB1 TYR 29 -8.743 1.229 -25.863 243 HD1 TYR 29 HD1 TYR 29 -6.214 2.765 -23.706 244 HD2 TYR 29 HD2 TYR 29 -9.651 0.253 -23.812 245 HE1 TYR 29 HE1 TYR 29 -6.500 3.055 -21.280 246 HE2 TYR 29 HE2 TYR 29 -9.943 0.536 -21.390 247 HH TYR 29 HH TYR 29 -8.294 2.915 -19.614 248 H CYS 30 HN CYS 30 -8.135 -1.867 -26.897 249 HA CYS 30 HA CYS 30 -7.701 -0.948 -29.668 250 HB2 CYS 30 HB2 CYS 30 -8.035 -3.361 -30.295 251 HB3 CYS 30 HB1 CYS 30 -6.605 -3.065 -29.313 252 HG CYS 30 HG CYS 30 -9.159 -3.782 -27.368 253 H VAL 31 HN VAL 31 -9.450 -0.156 -30.607 254 HA VAL 31 HA VAL 31 -12.101 -1.027 -29.661 255 HB VAL 31 HB VAL 31 -11.361 1.536 -31.102 256 HG11 VAL 31 HG11 VAL 31 -13.638 0.835 -31.609 257 HG12 VAL 31 HG12 VAL 31 -13.656 2.249 -30.552 258 HG13 VAL 31 HG13 VAL 31 -13.987 0.648 -29.889 259 HG21 VAL 31 HG21 VAL 31 -10.472 1.490 -28.818 260 HG22 VAL 31 HG22 VAL 31 -12.074 1.094 -28.196 261 HG23 VAL 31 HG23 VAL 31 -11.787 2.654 -28.963 262 H ARG 32 HN ARG 32 -13.333 -2.149 -31.017 263 HA ARG 32 HA ARG 32 -12.660 -2.212 -33.884 264 HB2 ARG 32 HB2 ARG 32 -14.307 -4.133 -32.212 265 HB3 ARG 32 HB1 ARG 32 -14.021 -4.294 -33.941 266 HG2 ARG 32 HG2 ARG 32 -11.620 -4.530 -33.518 267 HG3 ARG 32 HG1 ARG 32 -11.910 -4.370 -31.787 268 HD2 ARG 32 HD2 ARG 32 -13.285 -6.402 -31.834 269 HD3 ARG 32 HD1 ARG 32 -12.994 -6.556 -33.567 270 HE ARG 32 HE ARG 32 -10.748 -7.116 -33.127 271 HH11 ARG 32 HH11 ARG 32 -12.612 -6.677 -30.188 272 HH12 ARG 32 HH12 ARG 32 -11.468 -7.530 -29.195 273 HH21 ARG 32 HH21 ARG 32 -9.259 -8.253 -31.811 274 HH22 ARG 32 HH22 ARG 32 -9.574 -8.431 -30.113 275 H ARG 33 HN ARG 33 -13.836 -0.781 -35.001 276 HA ARG 33 HA ARG 33 -16.359 0.167 -34.008 277 HB2 ARG 33 HB2 ARG 33 -16.330 1.756 -35.732 278 HB3 ARG 33 HB1 ARG 33 -14.634 1.537 -35.333 279 HG2 ARG 33 HG2 ARG 33 -14.331 0.125 -37.291 280 HG3 ARG 33 HG1 ARG 33 -16.051 0.254 -37.669 281 HD2 ARG 33 HD2 ARG 33 -13.942 2.399 -37.776 282 HD3 ARG 33 HD1 ARG 33 -14.987 1.826 -39.076 283 HE ARG 33 HE ARG 33 -15.795 3.551 -36.826 284 HH11 ARG 33 HH11 ARG 33 -16.493 2.191 -39.983 285 HH12 ARG 33 HH12 ARG 33 -17.867 3.213 -40.250 286 HH21 ARG 33 HH21 ARG 33 -17.587 4.884 -37.174 287 HH22 ARG 33 HH22 ARG 33 -18.498 4.739 -38.648 288 H ARG 34 HN ARG 34 -18.337 -0.507 -34.522 289 HA ARG 34 HA ARG 34 -18.713 -2.953 -35.885 290 HB2 ARG 34 HB2 ARG 34 -20.654 -0.850 -34.921 291 HB3 ARG 34 HB1 ARG 34 -21.188 -2.318 -35.725 292 HG2 ARG 34 HG2 ARG 34 -19.540 -2.269 -33.199 293 HG3 ARG 34 HG1 ARG 34 -21.298 -2.416 -33.249 294 HD2 ARG 34 HD2 ARG 34 -19.299 -4.341 -34.447 295 HD3 ARG 34 HD1 ARG 34 -20.279 -4.609 -33.004 296 HE ARG 34 HE ARG 34 -21.543 -4.188 -35.641 297 HH11 ARG 34 HH11 ARG 34 -21.079 -6.168 -32.784 298 HH12 ARG 34 HH12 ARG 34 -22.322 -7.295 -33.214 299 HH21 ARG 34 HH21 ARG 34 -23.147 -5.674 -36.215 300 HH22 ARG 34 HH22 ARG 34 -23.499 -7.019 -35.168 301 H ILE 35 HN ILE 35 -17.859 -2.742 -37.963 302 HA ILE 35 HA ILE 35 -18.675 -0.894 -39.910 303 HB ILE 35 HB ILE 35 -17.947 -3.811 -40.337 304 HG12 ILE 35 HG12 ILE 35 -16.187 -1.336 -40.345 305 HG13 ILE 35 HG11 ILE 35 -16.197 -2.586 -39.105 306 HG21 ILE 35 HG21 ILE 35 -17.895 -1.482 -42.264 307 HG22 ILE 35 HG22 ILE 35 -19.036 -2.825 -42.290 308 HG23 ILE 35 HG23 ILE 35 -17.328 -3.115 -42.608 309 HD11 ILE 35 HD11 ILE 35 -15.440 -3.010 -41.988 310 HD12 ILE 35 HD12 ILE 35 -15.372 -4.211 -40.695 311 HD13 ILE 35 HD13 ILE 35 -14.311 -2.801 -40.650 312 H ARG 36 HN ARG 36 -20.063 -3.907 -38.788 313 HA ARG 36 HA ARG 36 -22.702 -3.022 -39.493 314 HB2 ARG 36 HB2 ARG 36 -22.046 -4.138 -41.590 315 HB3 ARG 36 HB1 ARG 36 -21.599 -5.584 -40.697 316 HG2 ARG 36 HG2 ARG 36 -23.751 -5.902 -41.747 317 HG3 ARG 36 HG1 ARG 36 -23.952 -5.851 -39.993 318 HD2 ARG 36 HD2 ARG 36 -24.608 -3.461 -40.195 319 HD3 ARG 36 HD1 ARG 36 -24.513 -3.617 -41.949 320 HE ARG 36 HE ARG 36 -26.364 -5.244 -40.322 321 HH11 ARG 36 HH11 ARG 36 -25.746 -3.160 -43.073 322 HH12 ARG 36 HH12 ARG 36 -27.352 -3.323 -43.709 323 HH21 ARG 36 HH21 ARG 36 -28.469 -5.437 -41.150 324 HH22 ARG 36 HH22 ARG 36 -28.905 -4.601 -42.610 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -11.897 -0.017 -3.346 2 H2 ALA 1 HT2 ALA 1 -12.500 1.547 -3.554 3 H3 ALA 1 HT3 ALA 1 -12.246 0.554 -4.896 4 HA ALA 1 HA ALA 1 -14.210 0.090 -2.735 5 HB1 ALA 1 HB1 ALA 1 -15.914 0.565 -4.417 6 HB2 ALA 1 HB2 ALA 1 -14.660 0.897 -5.612 7 HB3 ALA 1 HB3 ALA 1 -14.840 1.948 -4.206 8 H PHE 2 HN PHE 2 -13.194 -0.897 -6.023 9 HA PHE 2 HA PHE 2 -13.431 -3.682 -5.213 10 HB2 PHE 2 HB2 PHE 2 -14.706 -4.216 -7.352 11 HB3 PHE 2 HB1 PHE 2 -15.624 -3.432 -6.077 12 HD1 PHE 2 HD1 PHE 2 -16.470 -1.184 -6.349 13 HD2 PHE 2 HD2 PHE 2 -14.156 -3.024 -9.417 14 HE1 PHE 2 HE1 PHE 2 -17.195 0.551 -7.933 15 HE2 PHE 2 HE2 PHE 2 -14.880 -1.286 -11.001 16 HZ PHE 2 HZ PHE 2 -16.400 0.504 -10.261 17 H ILE 3 HN ILE 3 -12.000 -5.003 -6.225 18 HA ILE 3 HA ILE 3 -9.874 -3.600 -7.621 19 HB ILE 3 HB ILE 3 -8.560 -5.667 -7.258 20 HG12 ILE 3 HG12 ILE 3 -11.059 -6.665 -5.850 21 HG13 ILE 3 HG11 ILE 3 -10.412 -7.296 -7.362 22 HG21 ILE 3 HG21 ILE 3 -9.935 -4.600 -4.788 23 HG22 ILE 3 HG22 ILE 3 -8.534 -3.888 -5.592 24 HG23 ILE 3 HG23 ILE 3 -8.398 -5.467 -4.817 25 HD11 ILE 3 HD11 ILE 3 -9.855 -8.747 -5.510 26 HD12 ILE 3 HD12 ILE 3 -9.062 -7.412 -4.674 27 HD13 ILE 3 HD13 ILE 3 -8.395 -8.025 -6.186 28 H GLN 4 HN GLN 4 -12.156 -3.927 -9.219 29 HA GLN 4 HA GLN 4 -11.663 -6.109 -11.051 30 HB2 GLN 4 HB2 GLN 4 -13.496 -3.702 -11.232 31 HB3 GLN 4 HB1 GLN 4 -13.350 -4.906 -12.509 32 HG2 GLN 4 HG2 GLN 4 -14.044 -6.640 -10.839 33 HG3 GLN 4 HG1 GLN 4 -14.362 -5.327 -9.701 34 HE21 GLN 4 HE21 GLN 4 -16.150 -4.019 -10.014 35 HE22 GLN 4 HE22 GLN 4 -17.399 -4.389 -11.146 36 H LEU 5 HN LEU 5 -9.427 -5.673 -11.383 37 HA LEU 5 HA LEU 5 -8.750 -3.268 -12.924 38 HB2 LEU 5 HB2 LEU 5 -7.386 -3.778 -10.946 39 HB3 LEU 5 HB1 LEU 5 -6.989 -5.351 -11.613 40 HG LEU 5 HG LEU 5 -5.827 -4.204 -13.508 41 HD11 LEU 5 HD11 LEU 5 -6.994 -2.077 -13.467 42 HD12 LEU 5 HD12 LEU 5 -5.257 -1.832 -13.282 43 HD13 LEU 5 HD13 LEU 5 -6.319 -1.712 -11.877 44 HD21 LEU 5 HD21 LEU 5 -4.577 -5.040 -11.578 45 HD22 LEU 5 HD22 LEU 5 -4.810 -3.501 -10.750 46 HD23 LEU 5 HD23 LEU 5 -3.847 -3.571 -12.226 47 H SER 6 HN SER 6 -8.035 -3.344 -14.983 48 HA SER 6 HA SER 6 -7.547 -5.970 -16.214 49 HB2 SER 6 HB2 SER 6 -9.804 -5.024 -16.870 50 HB3 SER 6 HB1 SER 6 -8.949 -3.674 -17.617 51 HG SER 6 HG SER 6 -8.882 -4.941 -19.289 52 H LYS 7 HN LYS 7 -6.264 -5.707 -18.288 53 HA LYS 7 HA LYS 7 -4.234 -3.600 -17.891 54 HB2 LYS 7 HB2 LYS 7 -3.826 -6.431 -18.903 55 HB3 LYS 7 HB1 LYS 7 -2.564 -5.224 -18.674 56 HG2 LYS 7 HG2 LYS 7 -3.000 -5.216 -16.266 57 HG3 LYS 7 HG1 LYS 7 -4.278 -6.410 -16.489 58 HD2 LYS 7 HD2 LYS 7 -1.345 -6.809 -17.105 59 HD3 LYS 7 HD1 LYS 7 -2.205 -7.454 -15.707 60 HE2 LYS 7 HE2 LYS 7 -3.688 -8.702 -17.282 61 HE3 LYS 7 HE1 LYS 7 -2.666 -8.153 -18.608 62 HZ1 LYS 7 HZ1 LYS 7 -1.772 -9.807 -16.310 63 HZ2 LYS 7 HZ2 LYS 7 -0.796 -9.285 -17.589 64 HZ3 LYS 7 HZ3 LYS 7 -2.061 -10.367 -17.881 65 HA PRO 8 HA PRO 8 -4.882 -2.268 -22.090 66 HB2 PRO 8 HB2 PRO 8 -1.921 -1.980 -22.252 67 HB3 PRO 8 HB1 PRO 8 -3.188 -0.772 -22.498 68 HG2 PRO 8 HG2 PRO 8 -1.691 -0.742 -20.294 69 HG3 PRO 8 HG1 PRO 8 -3.424 -0.369 -20.218 70 HD2 PRO 8 HD2 PRO 8 -2.002 -2.912 -19.494 71 HD3 PRO 8 HD1 PRO 8 -3.323 -2.080 -18.645 72 H CYS 9 HN CYS 9 -3.953 -2.652 -24.343 73 HA CYS 9 HA CYS 9 -3.006 -5.431 -24.606 74 HB2 CYS 9 HB2 CYS 9 -4.441 -5.303 -26.807 75 HB3 CYS 9 HB1 CYS 9 -5.215 -5.655 -25.264 76 HG CYS 9 HG CYS 9 -7.033 -3.905 -25.809 77 H ILE 10 HN ILE 10 -2.488 -5.687 -27.174 78 HA ILE 10 HA ILE 10 -0.078 -4.107 -27.407 79 HB ILE 10 HB ILE 10 -1.013 -6.234 -29.347 80 HG12 ILE 10 HG12 ILE 10 -1.163 -7.199 -27.095 81 HG13 ILE 10 HG11 ILE 10 0.203 -7.890 -27.961 82 HG21 ILE 10 HG21 ILE 10 1.720 -5.212 -28.557 83 HG22 ILE 10 HG22 ILE 10 0.903 -4.997 -30.108 84 HG23 ILE 10 HG23 ILE 10 1.436 -6.598 -29.610 85 HD11 ILE 10 HD11 ILE 10 0.342 -5.743 -25.854 86 HD12 ILE 10 HD12 ILE 10 1.718 -6.401 -26.743 87 HD13 ILE 10 HD13 ILE 10 0.783 -7.439 -25.666 88 H SER 11 HN SER 11 0.569 -3.253 -29.591 89 HA SER 11 HA SER 11 -1.250 -1.233 -30.305 90 HB2 SER 11 HB2 SER 11 0.526 -0.637 -31.988 91 HB3 SER 11 HB1 SER 11 1.102 -0.784 -30.328 92 HG SER 11 HG SER 11 2.533 -2.010 -31.338 93 H ASP 12 HN ASP 12 -1.791 -0.638 -32.540 94 HA ASP 12 HA ASP 12 -3.462 -2.522 -33.758 95 HB2 ASP 12 HB2 ASP 12 -3.742 -0.853 -35.538 96 HB3 ASP 12 HB1 ASP 12 -3.807 -0.100 -33.947 97 H LYS 13 HN LYS 13 -0.159 -1.583 -34.413 98 HA LYS 13 HA LYS 13 0.217 -2.749 -36.921 99 HB2 LYS 13 HB2 LYS 13 1.834 -1.226 -35.821 100 HB3 LYS 13 HB1 LYS 13 2.221 -2.487 -34.659 101 HG2 LYS 13 HG2 LYS 13 2.972 -3.908 -36.599 102 HG3 LYS 13 HG1 LYS 13 2.784 -2.482 -37.621 103 HD2 LYS 13 HD2 LYS 13 4.608 -2.734 -35.220 104 HD3 LYS 13 HD1 LYS 13 5.105 -2.756 -36.912 105 HE2 LYS 13 HE2 LYS 13 4.345 -0.461 -37.193 106 HE3 LYS 13 HE1 LYS 13 3.744 -0.435 -35.534 107 HZ1 LYS 13 HZ1 LYS 13 6.007 -0.739 -34.748 108 HZ2 LYS 13 HZ2 LYS 13 5.892 0.644 -35.706 109 HZ3 LYS 13 HZ3 LYS 13 6.584 -0.762 -36.335 110 H GLU 14 HN GLU 14 -0.231 -4.205 -33.841 111 HA GLU 14 HA GLU 14 0.917 -6.753 -34.761 112 HB2 GLU 14 HB2 GLU 14 1.568 -5.672 -32.513 113 HB3 GLU 14 HB1 GLU 14 -0.030 -6.151 -31.960 114 HG2 GLU 14 HG2 GLU 14 1.606 -7.784 -31.282 115 HG3 GLU 14 HG1 GLU 14 0.506 -8.493 -32.464 116 H CYS 15 HN CYS 15 -2.010 -5.363 -33.270 117 HA CYS 15 HA CYS 15 -3.456 -7.821 -33.325 118 HB2 CYS 15 HB2 CYS 15 -5.456 -6.312 -32.891 119 HB3 CYS 15 HB1 CYS 15 -4.152 -6.234 -31.715 120 HG CYS 15 HG CYS 15 -3.512 -3.750 -32.034 121 H SER 16 HN SER 16 -3.049 -5.220 -35.640 122 HA SER 16 HA SER 16 -4.693 -6.748 -37.541 123 HB2 SER 16 HB2 SER 16 -4.712 -3.741 -37.185 124 HB3 SER 16 HB1 SER 16 -5.498 -4.599 -38.512 125 HG SER 16 HG SER 16 -6.166 -4.505 -35.790 126 H ILE 17 HN ILE 17 -3.420 -7.444 -39.107 127 HA ILE 17 HA ILE 17 -1.847 -5.569 -40.620 128 HB ILE 17 HB ILE 17 -0.149 -6.168 -39.023 129 HG12 ILE 17 HG12 ILE 17 0.271 -7.697 -41.610 130 HG13 ILE 17 HG11 ILE 17 0.570 -5.982 -41.366 131 HG21 ILE 17 HG21 ILE 17 -0.754 -9.061 -39.640 132 HG22 ILE 17 HG22 ILE 17 -1.120 -8.218 -38.135 133 HG23 ILE 17 HG23 ILE 17 0.558 -8.485 -38.613 134 HD11 ILE 17 HD11 ILE 17 2.326 -6.521 -39.758 135 HD12 ILE 17 HD12 ILE 17 2.635 -7.237 -41.340 136 HD13 ILE 17 HD13 ILE 17 2.032 -8.241 -40.020 137 H VAL 18 HN VAL 18 -2.436 -5.971 -42.629 138 HA VAL 18 HA VAL 18 -3.347 -6.949 -44.436 139 HB VAL 18 HB VAL 18 -1.887 -8.454 -45.485 140 HG11 VAL 18 HG11 VAL 18 -0.304 -6.582 -43.747 141 HG12 VAL 18 HG12 VAL 18 -1.087 -6.185 -45.278 142 HG13 VAL 18 HG13 VAL 18 0.270 -7.312 -45.248 143 HG21 VAL 18 HG21 VAL 18 -0.644 -9.034 -42.801 144 HG22 VAL 18 HG22 VAL 18 0.015 -9.576 -44.346 145 HG23 VAL 18 HG23 VAL 18 -1.559 -10.161 -43.801 146 H LYS 19 HN LYS 19 -4.611 -7.870 -42.024 147 HA LYS 19 HA LYS 19 -5.393 -10.626 -42.732 148 HB2 LYS 19 HB2 LYS 19 -6.265 -10.756 -40.395 149 HB3 LYS 19 HB1 LYS 19 -4.530 -10.477 -40.471 150 HG2 LYS 19 HG2 LYS 19 -5.034 -8.023 -40.151 151 HG3 LYS 19 HG1 LYS 19 -6.694 -8.500 -39.794 152 HD2 LYS 19 HD2 LYS 19 -4.274 -9.536 -38.305 153 HD3 LYS 19 HD1 LYS 19 -5.238 -8.157 -37.777 154 HE2 LYS 19 HE2 LYS 19 -7.215 -9.610 -37.631 155 HE3 LYS 19 HE1 LYS 19 -6.234 -10.986 -38.141 156 HZ1 LYS 19 HZ1 LYS 19 -5.668 -9.374 -35.710 157 HZ2 LYS 19 HZ2 LYS 19 -4.941 -10.832 -36.164 158 HZ3 LYS 19 HZ3 LYS 19 -6.566 -10.806 -35.698 159 H ASN 20 HN ASN 20 -7.757 -11.133 -42.367 160 HA ASN 20 HA ASN 20 -9.321 -9.076 -43.679 161 HB2 ASN 20 HB2 ASN 20 -11.063 -10.726 -43.900 162 HB3 ASN 20 HB1 ASN 20 -9.526 -11.489 -44.294 163 HD21 ASN 20 HD21 ASN 20 -12.174 -11.357 -42.064 164 HD22 ASN 20 HD22 ASN 20 -11.745 -12.766 -41.160 165 H TYR 21 HN TYR 21 -8.968 -10.379 -40.473 166 HA TYR 21 HA TYR 21 -11.326 -9.126 -39.405 167 HB2 TYR 21 HB2 TYR 21 -8.880 -10.082 -37.895 168 HB3 TYR 21 HB1 TYR 21 -10.476 -9.759 -37.228 169 HD1 TYR 21 HD1 TYR 21 -12.377 -11.294 -37.768 170 HD2 TYR 21 HD2 TYR 21 -8.382 -12.170 -38.960 171 HE1 TYR 21 HE1 TYR 21 -13.016 -13.634 -38.184 172 HE2 TYR 21 HE2 TYR 21 -9.012 -14.507 -39.372 173 HH TYR 21 HH TYR 21 -10.656 -16.096 -38.803 174 H ARG 22 HN ARG 22 -11.243 -7.358 -37.815 175 HA ARG 22 HA ARG 22 -9.144 -5.406 -38.467 176 HB2 ARG 22 HB2 ARG 22 -12.124 -4.961 -38.714 177 HB3 ARG 22 HB1 ARG 22 -10.889 -3.724 -38.943 178 HG2 ARG 22 HG2 ARG 22 -10.020 -4.900 -40.878 179 HG3 ARG 22 HG1 ARG 22 -11.140 -6.234 -40.605 180 HD2 ARG 22 HD2 ARG 22 -13.017 -4.588 -40.927 181 HD3 ARG 22 HD1 ARG 22 -11.803 -3.410 -41.434 182 HE ARG 22 HE ARG 22 -11.626 -5.882 -42.872 183 HH11 ARG 22 HH11 ARG 22 -13.249 -2.785 -42.750 184 HH12 ARG 22 HH12 ARG 22 -13.733 -2.837 -44.418 185 HH21 ARG 22 HH21 ARG 22 -12.246 -5.943 -45.061 186 HH22 ARG 22 HH22 ARG 22 -13.157 -4.625 -45.731 187 H ALA 23 HN ALA 23 -8.334 -4.710 -36.634 188 HA ALA 23 HA ALA 23 -10.153 -3.847 -34.495 189 HB1 ALA 23 HB1 ALA 23 -7.627 -5.448 -34.033 190 HB2 ALA 23 HB2 ALA 23 -9.274 -6.052 -33.841 191 HB3 ALA 23 HB3 ALA 23 -8.676 -4.772 -32.784 192 H ARG 24 HN ARG 24 -9.706 -1.800 -33.883 193 HA ARG 24 HA ARG 24 -7.113 -0.665 -34.667 194 HB2 ARG 24 HB2 ARG 24 -9.090 0.537 -35.480 195 HB3 ARG 24 HB1 ARG 24 -9.673 0.718 -33.831 196 HG2 ARG 24 HG2 ARG 24 -7.885 2.196 -33.271 197 HG3 ARG 24 HG1 ARG 24 -7.048 1.853 -34.786 198 HD2 ARG 24 HD2 ARG 24 -9.743 3.208 -34.564 199 HD3 ARG 24 HD1 ARG 24 -8.205 4.044 -34.784 200 HE ARG 24 HE ARG 24 -8.760 2.040 -36.787 201 HH11 ARG 24 HH11 ARG 24 -9.180 5.398 -35.897 202 HH12 ARG 24 HH12 ARG 24 -9.403 5.935 -37.532 203 HH21 ARG 24 HH21 ARG 24 -9.034 2.749 -38.940 204 HH22 ARG 24 HH22 ARG 24 -9.301 4.437 -39.256 205 H CYS 25 HN CYS 25 -5.722 -1.156 -33.107 206 HA CYS 25 HA CYS 25 -6.433 -0.826 -30.298 207 HB2 CYS 25 HB2 CYS 25 -3.871 -1.828 -31.564 208 HB3 CYS 25 HB1 CYS 25 -4.296 -1.924 -29.857 209 HG CYS 25 HG CYS 25 -5.241 -4.282 -30.069 210 H ARG 26 HN ARG 26 -5.980 1.004 -29.238 211 HA ARG 26 HA ARG 26 -3.723 2.659 -29.906 212 HB2 ARG 26 HB2 ARG 26 -5.522 3.229 -31.625 213 HB3 ARG 26 HB1 ARG 26 -6.472 3.867 -30.290 214 HG2 ARG 26 HG2 ARG 26 -5.325 5.672 -31.409 215 HG3 ARG 26 HG1 ARG 26 -4.650 5.464 -29.790 216 HD2 ARG 26 HD2 ARG 26 -2.789 4.170 -30.754 217 HD3 ARG 26 HD1 ARG 26 -3.456 4.425 -32.365 218 HE ARG 26 HE ARG 26 -3.104 6.927 -31.197 219 HH11 ARG 26 HH11 ARG 26 -1.130 4.222 -32.243 220 HH12 ARG 26 HH12 ARG 26 0.250 5.212 -32.614 221 HH21 ARG 26 HH21 ARG 26 -1.295 8.224 -31.666 222 HH22 ARG 26 HH22 ARG 26 0.159 7.498 -32.275 223 H LYS 27 HN LYS 27 -3.186 4.050 -28.269 224 HA LYS 27 HA LYS 27 -3.139 5.042 -26.225 225 HB2 LYS 27 HB2 LYS 27 -6.161 4.911 -26.438 226 HB3 LYS 27 HB1 LYS 27 -5.254 5.909 -25.308 227 HG2 LYS 27 HG2 LYS 27 -4.322 7.191 -27.154 228 HG3 LYS 27 HG1 LYS 27 -5.166 6.162 -28.315 229 HD2 LYS 27 HD2 LYS 27 -7.327 6.891 -27.363 230 HD3 LYS 27 HD1 LYS 27 -6.461 7.945 -26.241 231 HE2 LYS 27 HE2 LYS 27 -5.538 9.201 -28.135 232 HE3 LYS 27 HE1 LYS 27 -6.392 8.144 -29.260 233 HZ1 LYS 27 HZ1 LYS 27 -7.564 10.228 -28.895 234 HZ2 LYS 27 HZ2 LYS 27 -7.676 9.901 -27.241 235 HZ3 LYS 27 HZ3 LYS 27 -8.485 8.916 -28.350 236 H GLY 28 HN GLY 28 -3.099 2.160 -26.437 237 HA2 GLY 28 HA2 GLY 28 -2.718 0.544 -24.809 238 HA3 GLY 28 HA1 GLY 28 -3.537 1.555 -23.632 239 H TYR 29 HN TYR 29 -5.697 1.652 -25.958 240 HA TYR 29 HA TYR 29 -7.152 -0.675 -24.895 241 HB2 TYR 29 HB2 TYR 29 -8.259 1.735 -26.375 242 HB3 TYR 29 HB1 TYR 29 -9.188 0.482 -25.561 243 HD1 TYR 29 HD1 TYR 29 -7.480 3.636 -25.194 244 HD2 TYR 29 HD2 TYR 29 -9.043 0.308 -23.036 245 HE1 TYR 29 HE1 TYR 29 -7.477 4.976 -23.136 246 HE2 TYR 29 HE2 TYR 29 -9.041 1.646 -20.971 247 HH TYR 29 HH TYR 29 -8.553 5.045 -20.991 248 H CYS 30 HN CYS 30 -8.791 -1.567 -26.548 249 HA CYS 30 HA CYS 30 -7.843 -1.489 -29.311 250 HB2 CYS 30 HB2 CYS 30 -8.131 -4.046 -27.712 251 HB3 CYS 30 HB1 CYS 30 -7.916 -3.981 -29.458 252 HG CYS 30 HG CYS 30 -5.554 -2.311 -27.792 253 H VAL 31 HN VAL 31 -9.580 -1.027 -30.493 254 HA VAL 31 HA VAL 31 -12.185 -2.132 -29.653 255 HB VAL 31 HB VAL 31 -12.263 0.270 -29.707 256 HG11 VAL 31 HG11 VAL 31 -11.812 1.594 -31.710 257 HG12 VAL 31 HG12 VAL 31 -11.315 0.139 -32.572 258 HG13 VAL 31 HG13 VAL 31 -10.373 0.714 -31.196 259 HG21 VAL 31 HG21 VAL 31 -14.075 0.644 -31.315 260 HG22 VAL 31 HG22 VAL 31 -14.263 -0.897 -30.478 261 HG23 VAL 31 HG23 VAL 31 -13.659 -0.861 -32.136 262 H ARG 32 HN ARG 32 -12.790 -3.836 -30.738 263 HA ARG 32 HA ARG 32 -11.982 -4.106 -33.558 264 HB2 ARG 32 HB2 ARG 32 -12.161 -6.564 -33.241 265 HB3 ARG 32 HB1 ARG 32 -10.908 -5.830 -32.257 266 HG2 ARG 32 HG2 ARG 32 -12.387 -5.928 -30.304 267 HG3 ARG 32 HG1 ARG 32 -13.637 -6.682 -31.295 268 HD2 ARG 32 HD2 ARG 32 -12.100 -8.562 -31.754 269 HD3 ARG 32 HD1 ARG 32 -10.893 -7.808 -30.713 270 HE ARG 32 HE ARG 32 -13.236 -8.097 -29.224 271 HH11 ARG 32 HH11 ARG 32 -10.793 -10.124 -30.729 272 HH12 ARG 32 HH12 ARG 32 -11.036 -11.442 -29.626 273 HH21 ARG 32 HH21 ARG 32 -13.538 -9.836 -27.777 274 HH22 ARG 32 HH22 ARG 32 -12.581 -11.275 -27.939 275 H ARG 33 HN ARG 33 -13.577 -3.966 -34.962 276 HA ARG 33 HA ARG 33 -16.284 -3.771 -33.945 277 HB2 ARG 33 HB2 ARG 33 -15.113 -2.187 -35.648 278 HB3 ARG 33 HB1 ARG 33 -15.497 -3.429 -36.831 279 HG2 ARG 33 HG2 ARG 33 -17.171 -1.645 -36.795 280 HG3 ARG 33 HG1 ARG 33 -17.868 -3.203 -36.338 281 HD2 ARG 33 HD2 ARG 33 -17.818 -2.603 -34.004 282 HD3 ARG 33 HD1 ARG 33 -16.934 -1.120 -34.360 283 HE ARG 33 HE ARG 33 -18.918 -0.246 -35.392 284 HH11 ARG 33 HH11 ARG 33 -19.371 -3.175 -33.532 285 HH12 ARG 33 HH12 ARG 33 -21.066 -2.905 -33.283 286 HH21 ARG 33 HH21 ARG 33 -21.140 0.114 -35.065 287 HH22 ARG 33 HH22 ARG 33 -22.073 -1.030 -34.152 288 H ARG 34 HN ARG 34 -17.037 -5.799 -33.537 289 HA ARG 34 HA ARG 34 -16.735 -7.913 -35.520 290 HB2 ARG 34 HB2 ARG 34 -16.630 -8.172 -32.921 291 HB3 ARG 34 HB1 ARG 34 -18.385 -8.116 -33.001 292 HG2 ARG 34 HG2 ARG 34 -18.364 -10.060 -34.514 293 HG3 ARG 34 HG1 ARG 34 -16.606 -10.126 -34.382 294 HD2 ARG 34 HD2 ARG 34 -16.942 -10.355 -31.871 295 HD3 ARG 34 HD1 ARG 34 -18.653 -10.604 -32.218 296 HE ARG 34 HE ARG 34 -16.528 -12.489 -32.558 297 HH11 ARG 34 HH11 ARG 34 -19.679 -11.545 -33.777 298 HH12 ARG 34 HH12 ARG 34 -20.025 -13.108 -34.433 299 HH21 ARG 34 HH21 ARG 34 -17.024 -14.567 -33.396 300 HH22 ARG 34 HH22 ARG 34 -18.529 -14.812 -34.226 301 H ILE 35 HN ILE 35 -18.000 -7.491 -37.260 302 HA ILE 35 HA ILE 35 -20.344 -6.003 -37.295 303 HB ILE 35 HB ILE 35 -19.508 -8.151 -39.260 304 HG12 ILE 35 HG12 ILE 35 -18.984 -5.159 -39.250 305 HG13 ILE 35 HG11 ILE 35 -17.789 -6.412 -38.934 306 HG21 ILE 35 HG21 ILE 35 -20.921 -6.945 -40.873 307 HG22 ILE 35 HG22 ILE 35 -21.436 -5.845 -39.595 308 HG23 ILE 35 HG23 ILE 35 -21.865 -7.554 -39.514 309 HD11 ILE 35 HD11 ILE 35 -19.245 -5.974 -41.534 310 HD12 ILE 35 HD12 ILE 35 -18.051 -7.235 -41.221 311 HD13 ILE 35 HD13 ILE 35 -17.572 -5.537 -41.185 312 H ARG 36 HN ARG 36 -20.070 -9.570 -37.477 313 HA ARG 36 HA ARG 36 -22.818 -9.735 -36.415 314 HB2 ARG 36 HB2 ARG 36 -21.499 -11.587 -38.419 315 HB3 ARG 36 HB1 ARG 36 -23.090 -11.829 -37.714 316 HG2 ARG 36 HG2 ARG 36 -23.860 -9.744 -38.771 317 HG3 ARG 36 HG1 ARG 36 -22.269 -9.549 -39.512 318 HD2 ARG 36 HD2 ARG 36 -22.569 -11.712 -40.665 319 HD3 ARG 36 HD1 ARG 36 -24.179 -11.850 -39.958 320 HE ARG 36 HE ARG 36 -23.934 -9.407 -41.373 321 HH11 ARG 36 HH11 ARG 36 -24.345 -12.847 -41.883 322 HH12 ARG 36 HH12 ARG 36 -25.063 -12.657 -43.449 323 HH21 ARG 36 HH21 ARG 36 -24.867 -9.158 -43.434 324 HH22 ARG 36 HH22 ARG 36 -25.363 -10.557 -44.333 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -18.844 -8.062 -5.435 2 H2 ALA 1 HT2 ALA 1 -18.343 -6.793 -4.436 3 H3 ALA 1 HT3 ALA 1 -17.212 -7.902 -5.022 4 HA ALA 1 HA ALA 1 -18.792 -6.026 -6.678 5 HB1 ALA 1 HB1 ALA 1 -17.125 -4.859 -5.318 6 HB2 ALA 1 HB2 ALA 1 -16.678 -4.833 -7.024 7 HB3 ALA 1 HB3 ALA 1 -15.869 -5.943 -5.915 8 H PHE 2 HN PHE 2 -18.202 -6.044 -8.917 9 HA PHE 2 HA PHE 2 -17.122 -8.633 -9.803 10 HB2 PHE 2 HB2 PHE 2 -19.470 -8.089 -10.466 11 HB3 PHE 2 HB1 PHE 2 -18.872 -6.676 -11.324 12 HD1 PHE 2 HD1 PHE 2 -18.355 -6.863 -13.589 13 HD2 PHE 2 HD2 PHE 2 -18.427 -10.377 -11.169 14 HE1 PHE 2 HE1 PHE 2 -18.015 -8.250 -15.592 15 HE2 PHE 2 HE2 PHE 2 -18.088 -11.762 -13.173 16 HZ PHE 2 HZ PHE 2 -17.879 -10.701 -15.387 17 H ILE 3 HN ILE 3 -14.989 -7.796 -9.431 18 HA ILE 3 HA ILE 3 -14.158 -5.492 -10.987 19 HB ILE 3 HB ILE 3 -12.520 -7.195 -9.090 20 HG12 ILE 3 HG12 ILE 3 -13.915 -4.540 -8.622 21 HG13 ILE 3 HG11 ILE 3 -14.404 -6.092 -7.948 22 HG21 ILE 3 HG21 ILE 3 -11.942 -4.461 -10.245 23 HG22 ILE 3 HG22 ILE 3 -11.158 -5.965 -10.727 24 HG23 ILE 3 HG23 ILE 3 -10.933 -5.338 -9.095 25 HD11 ILE 3 HD11 ILE 3 -11.841 -4.628 -7.357 26 HD12 ILE 3 HD12 ILE 3 -12.293 -6.206 -6.710 27 HD13 ILE 3 HD13 ILE 3 -13.238 -4.777 -6.292 28 H GLN 4 HN GLN 4 -14.469 -6.522 -13.059 29 HA GLN 4 HA GLN 4 -12.202 -8.252 -13.809 30 HB2 GLN 4 HB2 GLN 4 -14.840 -7.760 -15.213 31 HB3 GLN 4 HB1 GLN 4 -13.498 -8.634 -15.938 32 HG2 GLN 4 HG2 GLN 4 -15.025 -9.431 -13.463 33 HG3 GLN 4 HG1 GLN 4 -15.144 -10.172 -15.059 34 HE21 GLN 4 HE21 GLN 4 -13.356 -11.386 -15.838 35 HE22 GLN 4 HE22 GLN 4 -12.178 -12.040 -14.752 36 H LEU 5 HN LEU 5 -10.742 -6.503 -13.802 37 HA LEU 5 HA LEU 5 -11.194 -4.090 -15.229 38 HB2 LEU 5 HB2 LEU 5 -8.590 -5.333 -14.325 39 HB3 LEU 5 HB1 LEU 5 -8.794 -3.673 -14.855 40 HG LEU 5 HG LEU 5 -10.012 -4.908 -12.374 41 HD11 LEU 5 HD11 LEU 5 -7.602 -4.517 -12.192 42 HD12 LEU 5 HD12 LEU 5 -8.513 -3.417 -11.159 43 HD13 LEU 5 HD13 LEU 5 -7.833 -2.836 -12.681 44 HD21 LEU 5 HD21 LEU 5 -10.768 -2.629 -11.851 45 HD22 LEU 5 HD22 LEU 5 -11.512 -3.242 -13.328 46 HD23 LEU 5 HD23 LEU 5 -10.187 -2.080 -13.426 47 H SER 6 HN SER 6 -11.270 -3.873 -17.361 48 HA SER 6 HA SER 6 -10.251 -5.795 -19.199 49 HB2 SER 6 HB2 SER 6 -11.114 -2.927 -19.687 50 HB3 SER 6 HB1 SER 6 -10.897 -4.161 -20.923 51 HG SER 6 HG SER 6 -12.811 -4.138 -18.817 52 H LYS 7 HN LYS 7 -8.356 -5.777 -20.369 53 HA LYS 7 HA LYS 7 -6.305 -3.892 -19.411 54 HB2 LYS 7 HB2 LYS 7 -4.658 -5.588 -19.930 55 HB3 LYS 7 HB1 LYS 7 -5.912 -6.298 -18.921 56 HG2 LYS 7 HG2 LYS 7 -6.913 -7.377 -20.846 57 HG3 LYS 7 HG1 LYS 7 -5.758 -6.586 -21.925 58 HD2 LYS 7 HD2 LYS 7 -3.915 -7.771 -20.807 59 HD3 LYS 7 HD1 LYS 7 -5.076 -8.561 -19.739 60 HE2 LYS 7 HE2 LYS 7 -6.134 -9.619 -21.707 61 HE3 LYS 7 HE1 LYS 7 -4.920 -8.866 -22.743 62 HZ1 LYS 7 HZ1 LYS 7 -4.332 -10.765 -20.538 63 HZ2 LYS 7 HZ2 LYS 7 -3.202 -10.092 -21.600 64 HZ3 LYS 7 HZ3 LYS 7 -4.371 -11.168 -22.179 65 HA PRO 8 HA PRO 8 -5.642 -2.384 -23.587 66 HB2 PRO 8 HB2 PRO 8 -2.762 -2.243 -22.939 67 HB3 PRO 8 HB1 PRO 8 -3.879 -0.939 -23.347 68 HG2 PRO 8 HG2 PRO 8 -2.926 -1.243 -20.855 69 HG3 PRO 8 HG1 PRO 8 -4.578 -0.672 -21.156 70 HD2 PRO 8 HD2 PRO 8 -3.634 -3.420 -20.385 71 HD3 PRO 8 HD1 PRO 8 -5.026 -2.496 -19.774 72 H CYS 9 HN CYS 9 -4.210 -2.882 -25.502 73 HA CYS 9 HA CYS 9 -3.455 -5.742 -25.461 74 HB2 CYS 9 HB2 CYS 9 -4.358 -4.088 -27.832 75 HB3 CYS 9 HB1 CYS 9 -4.023 -5.817 -27.835 76 HG CYS 9 HG CYS 9 -6.571 -6.231 -27.697 77 H ILE 10 HN ILE 10 -1.977 -6.179 -27.502 78 HA ILE 10 HA ILE 10 0.497 -4.783 -27.159 79 HB ILE 10 HB ILE 10 -0.298 -6.680 -29.401 80 HG12 ILE 10 HG12 ILE 10 0.906 -7.342 -26.698 81 HG13 ILE 10 HG11 ILE 10 -0.753 -7.675 -27.183 82 HG21 ILE 10 HG21 ILE 10 2.174 -7.257 -29.310 83 HG22 ILE 10 HG22 ILE 10 2.385 -5.813 -28.326 84 HG23 ILE 10 HG23 ILE 10 1.767 -5.681 -29.976 85 HD11 ILE 10 HD11 ILE 10 0.594 -9.674 -27.310 86 HD12 ILE 10 HD12 ILE 10 1.729 -8.871 -28.398 87 HD13 ILE 10 HD13 ILE 10 0.074 -9.190 -28.925 88 H SER 11 HN SER 11 1.609 -3.931 -29.335 89 HA SER 11 HA SER 11 0.371 -1.599 -30.088 90 HB2 SER 11 HB2 SER 11 2.346 -3.103 -31.820 91 HB3 SER 11 HB1 SER 11 2.126 -1.356 -31.698 92 HG SER 11 HG SER 11 3.883 -2.652 -30.431 93 H ASP 12 HN ASP 12 -0.453 -0.885 -32.156 94 HA ASP 12 HA ASP 12 -2.676 -2.366 -32.994 95 HB2 ASP 12 HB2 ASP 12 -2.510 0.092 -33.180 96 HB3 ASP 12 HB1 ASP 12 -1.276 -0.086 -34.420 97 H LYS 13 HN LYS 13 0.569 -2.193 -34.218 98 HA LYS 13 HA LYS 13 0.209 -3.339 -36.756 99 HB2 LYS 13 HB2 LYS 13 2.635 -3.563 -34.950 100 HB3 LYS 13 HB1 LYS 13 2.606 -3.764 -36.699 101 HG2 LYS 13 HG2 LYS 13 2.025 -1.419 -36.992 102 HG3 LYS 13 HG1 LYS 13 1.956 -1.198 -35.243 103 HD2 LYS 13 HD2 LYS 13 4.064 -0.360 -36.058 104 HD3 LYS 13 HD1 LYS 13 4.354 -1.818 -35.107 105 HE2 LYS 13 HE2 LYS 13 4.500 -3.123 -37.196 106 HE3 LYS 13 HE1 LYS 13 4.254 -1.643 -38.123 107 HZ1 LYS 13 HZ1 LYS 13 6.559 -2.057 -38.064 108 HZ2 LYS 13 HZ2 LYS 13 6.555 -2.336 -36.396 109 HZ3 LYS 13 HZ3 LYS 13 6.292 -0.777 -36.992 110 H GLU 14 HN GLU 14 0.344 -4.722 -33.569 111 HA GLU 14 HA GLU 14 0.450 -7.452 -34.654 112 HB2 GLU 14 HB2 GLU 14 0.617 -6.557 -31.767 113 HB3 GLU 14 HB1 GLU 14 0.927 -8.172 -32.388 114 HG2 GLU 14 HG2 GLU 14 2.570 -5.698 -32.895 115 HG3 GLU 14 HG1 GLU 14 3.007 -7.070 -31.879 116 H CYS 15 HN CYS 15 -1.675 -5.139 -33.241 117 HA CYS 15 HA CYS 15 -3.575 -6.797 -32.037 118 HB2 CYS 15 HB2 CYS 15 -3.915 -4.111 -33.374 119 HB3 CYS 15 HB1 CYS 15 -5.169 -4.899 -32.422 120 HG CYS 15 HG CYS 15 -2.190 -4.527 -30.893 121 H SER 16 HN SER 16 -2.821 -6.572 -35.335 122 HA SER 16 HA SER 16 -5.368 -7.197 -36.426 123 HB2 SER 16 HB2 SER 16 -4.002 -7.983 -38.410 124 HB3 SER 16 HB1 SER 16 -3.695 -6.320 -37.908 125 HG SER 16 HG SER 16 -2.116 -8.607 -37.292 126 H ILE 17 HN ILE 17 -6.099 -8.766 -34.909 127 HA ILE 17 HA ILE 17 -4.832 -11.407 -35.024 128 HB ILE 17 HB ILE 17 -7.117 -10.421 -33.289 129 HG12 ILE 17 HG12 ILE 17 -4.208 -10.927 -32.579 130 HG13 ILE 17 HG11 ILE 17 -4.944 -9.338 -32.773 131 HG21 ILE 17 HG21 ILE 17 -5.565 -13.016 -33.168 132 HG22 ILE 17 HG22 ILE 17 -7.245 -12.833 -33.674 133 HG23 ILE 17 HG23 ILE 17 -6.783 -12.492 -32.007 134 HD11 ILE 17 HD11 ILE 17 -4.712 -9.940 -30.427 135 HD12 ILE 17 HD12 ILE 17 -5.693 -11.382 -30.690 136 HD13 ILE 17 HD13 ILE 17 -6.411 -9.783 -30.875 137 H VAL 18 HN VAL 18 -8.074 -9.973 -35.286 138 HA VAL 18 HA VAL 18 -9.372 -12.228 -36.336 139 HB VAL 18 HB VAL 18 -10.099 -9.317 -36.790 140 HG11 VAL 18 HG11 VAL 18 -12.402 -10.166 -37.038 141 HG12 VAL 18 HG12 VAL 18 -11.796 -11.818 -36.901 142 HG13 VAL 18 HG13 VAL 18 -11.319 -10.815 -38.272 143 HG21 VAL 18 HG21 VAL 18 -10.901 -11.174 -34.542 144 HG22 VAL 18 HG22 VAL 18 -11.542 -9.551 -34.809 145 HG23 VAL 18 HG23 VAL 18 -9.840 -9.771 -34.408 146 H LYS 19 HN LYS 19 -9.659 -12.978 -38.394 147 HA LYS 19 HA LYS 19 -7.710 -12.279 -40.328 148 HB2 LYS 19 HB2 LYS 19 -8.627 -14.579 -40.000 149 HB3 LYS 19 HB1 LYS 19 -10.152 -14.032 -40.681 150 HG2 LYS 19 HG2 LYS 19 -8.877 -15.253 -42.334 151 HG3 LYS 19 HG1 LYS 19 -9.027 -13.562 -42.814 152 HD2 LYS 19 HD2 LYS 19 -6.767 -14.357 -43.225 153 HD3 LYS 19 HD1 LYS 19 -6.756 -13.135 -41.954 154 HE2 LYS 19 HE2 LYS 19 -6.684 -14.938 -40.260 155 HE3 LYS 19 HE1 LYS 19 -6.630 -16.128 -41.559 156 HZ1 LYS 19 HZ1 LYS 19 -4.595 -14.012 -41.130 157 HZ2 LYS 19 HZ2 LYS 19 -4.532 -15.258 -42.275 158 HZ3 LYS 19 HZ3 LYS 19 -4.440 -15.617 -40.630 159 H ASN 20 HN ASN 20 -10.481 -10.762 -39.562 160 HA ASN 20 HA ASN 20 -11.062 -9.810 -42.275 161 HB2 ASN 20 HB2 ASN 20 -12.520 -9.222 -39.680 162 HB3 ASN 20 HB1 ASN 20 -13.033 -8.709 -41.284 163 HD21 ASN 20 HD21 ASN 20 -13.730 -10.320 -42.777 164 HD22 ASN 20 HD22 ASN 20 -14.340 -11.836 -42.215 165 H TYR 21 HN TYR 21 -8.905 -9.152 -39.999 166 HA TYR 21 HA TYR 21 -7.591 -7.431 -39.374 167 HB2 TYR 21 HB2 TYR 21 -8.516 -6.432 -42.061 168 HB3 TYR 21 HB1 TYR 21 -7.166 -5.748 -41.165 169 HD1 TYR 21 HD1 TYR 21 -8.168 -8.199 -43.549 170 HD2 TYR 21 HD2 TYR 21 -5.210 -7.367 -40.597 171 HE1 TYR 21 HE1 TYR 21 -6.661 -9.830 -44.601 172 HE2 TYR 21 HE2 TYR 21 -3.700 -8.999 -41.645 173 HH TYR 21 HH TYR 21 -4.109 -10.167 -44.714 174 H ARG 22 HN ARG 22 -10.611 -7.205 -38.807 175 HA ARG 22 HA ARG 22 -10.913 -4.300 -38.731 176 HB2 ARG 22 HB2 ARG 22 -12.781 -5.723 -39.568 177 HB3 ARG 22 HB1 ARG 22 -12.919 -6.438 -37.966 178 HG2 ARG 22 HG2 ARG 22 -14.604 -4.692 -38.387 179 HG3 ARG 22 HG1 ARG 22 -13.554 -4.304 -37.023 180 HD2 ARG 22 HD2 ARG 22 -13.993 -2.363 -38.499 181 HD3 ARG 22 HD1 ARG 22 -12.282 -2.760 -38.370 182 HE ARG 22 HE ARG 22 -12.868 -4.059 -40.593 183 HH11 ARG 22 HH11 ARG 22 -13.937 -0.858 -39.617 184 HH12 ARG 22 HH12 ARG 22 -13.989 -0.256 -41.241 185 HH21 ARG 22 HH21 ARG 22 -12.937 -3.252 -42.719 186 HH22 ARG 22 HH22 ARG 22 -13.414 -1.606 -43.000 187 H ALA 23 HN ALA 23 -9.336 -3.915 -37.181 188 HA ALA 23 HA ALA 23 -10.391 -3.741 -34.526 189 HB1 ALA 23 HB1 ALA 23 -7.931 -5.454 -34.975 190 HB2 ALA 23 HB2 ALA 23 -9.488 -5.998 -34.350 191 HB3 ALA 23 HB3 ALA 23 -8.500 -4.884 -33.405 192 H ARG 24 HN ARG 24 -9.201 -2.196 -33.266 193 HA ARG 24 HA ARG 24 -6.726 -1.163 -34.430 194 HB2 ARG 24 HB2 ARG 24 -8.511 0.230 -35.439 195 HB3 ARG 24 HB1 ARG 24 -9.053 0.686 -33.828 196 HG2 ARG 24 HG2 ARG 24 -6.921 1.773 -33.389 197 HG3 ARG 24 HG1 ARG 24 -6.312 1.253 -34.960 198 HD2 ARG 24 HD2 ARG 24 -6.960 3.528 -35.180 199 HD3 ARG 24 HD1 ARG 24 -8.175 2.562 -36.013 200 HE ARG 24 HE ARG 24 -8.595 3.609 -33.282 201 HH11 ARG 24 HH11 ARG 24 -9.729 3.069 -36.555 202 HH12 ARG 24 HH12 ARG 24 -11.233 3.897 -36.305 203 HH21 ARG 24 HH21 ARG 24 -10.575 4.671 -32.944 204 HH22 ARG 24 HH22 ARG 24 -11.722 4.802 -34.245 205 H CYS 25 HN CYS 25 -5.282 -0.693 -32.944 206 HA CYS 25 HA CYS 25 -6.188 -0.173 -30.184 207 HB2 CYS 25 HB2 CYS 25 -3.598 -1.453 -31.101 208 HB3 CYS 25 HB1 CYS 25 -4.036 -1.114 -29.428 209 HG CYS 25 HG CYS 25 -5.769 -3.251 -31.458 210 H ARG 26 HN ARG 26 -5.509 1.634 -29.209 211 HA ARG 26 HA ARG 26 -3.251 3.140 -30.237 212 HB2 ARG 26 HB2 ARG 26 -5.440 3.850 -31.451 213 HB3 ARG 26 HB1 ARG 26 -5.886 4.580 -29.915 214 HG2 ARG 26 HG2 ARG 26 -4.917 6.266 -31.321 215 HG3 ARG 26 HG1 ARG 26 -3.796 5.922 -30.003 216 HD2 ARG 26 HD2 ARG 26 -2.485 4.477 -31.483 217 HD3 ARG 26 HD1 ARG 26 -3.617 4.792 -32.798 218 HE ARG 26 HE ARG 26 -2.580 7.231 -31.821 219 HH11 ARG 26 HH11 ARG 26 -1.647 4.418 -33.693 220 HH12 ARG 26 HH12 ARG 26 -0.421 5.258 -34.590 221 HH21 ARG 26 HH21 ARG 26 -0.989 8.355 -33.020 222 HH22 ARG 26 HH22 ARG 26 -0.055 7.504 -34.209 223 H LYS 27 HN LYS 27 -2.251 4.287 -28.620 224 HA LYS 27 HA LYS 27 -1.572 4.621 -26.470 225 HB2 LYS 27 HB2 LYS 27 -4.495 5.324 -26.057 226 HB3 LYS 27 HB1 LYS 27 -3.156 5.814 -25.028 227 HG2 LYS 27 HG2 LYS 27 -2.204 7.078 -26.947 228 HG3 LYS 27 HG1 LYS 27 -3.643 6.664 -27.883 229 HD2 LYS 27 HD2 LYS 27 -5.034 7.794 -26.157 230 HD3 LYS 27 HD1 LYS 27 -3.553 8.279 -25.328 231 HE2 LYS 27 HE2 LYS 27 -4.315 10.131 -26.658 232 HE3 LYS 27 HE1 LYS 27 -2.856 9.477 -27.402 233 HZ1 LYS 27 HZ1 LYS 27 -4.211 8.333 -29.018 234 HZ2 LYS 27 HZ2 LYS 27 -4.603 9.973 -29.024 235 HZ3 LYS 27 HZ3 LYS 27 -5.630 8.864 -28.271 236 H GLY 28 HN GLY 28 -2.354 1.972 -27.191 237 HA2 GLY 28 HA2 GLY 28 -2.316 -0.039 -26.038 238 HA3 GLY 28 HA1 GLY 28 -2.679 0.825 -24.554 239 H TYR 29 HN TYR 29 -5.031 2.158 -25.926 240 HA TYR 29 HA TYR 29 -6.943 0.285 -24.998 241 HB2 TYR 29 HB2 TYR 29 -7.026 2.911 -25.112 242 HB3 TYR 29 HB1 TYR 29 -7.673 2.638 -26.728 243 HD1 TYR 29 HD1 TYR 29 -8.168 1.773 -23.178 244 HD2 TYR 29 HD2 TYR 29 -9.989 2.165 -27.000 245 HE1 TYR 29 HE1 TYR 29 -10.384 1.410 -22.149 246 HE2 TYR 29 HE2 TYR 29 -12.208 1.806 -25.994 247 HH TYR 29 HH TYR 29 -13.162 0.736 -23.956 248 H CYS 30 HN CYS 30 -8.580 -0.781 -26.179 249 HA CYS 30 HA CYS 30 -7.783 -1.419 -28.948 250 HB2 CYS 30 HB2 CYS 30 -8.977 -3.443 -27.066 251 HB3 CYS 30 HB1 CYS 30 -7.963 -3.707 -28.483 252 HG CYS 30 HG CYS 30 -5.664 -2.616 -27.196 253 H VAL 31 HN VAL 31 -9.395 -1.505 -30.432 254 HA VAL 31 HA VAL 31 -12.175 -1.693 -29.485 255 HB VAL 31 HB VAL 31 -11.796 0.633 -30.154 256 HG11 VAL 31 HG11 VAL 31 -11.047 -0.473 -32.862 257 HG12 VAL 31 HG12 VAL 31 -9.969 0.337 -31.724 258 HG13 VAL 31 HG13 VAL 31 -11.290 1.231 -32.478 259 HG21 VAL 31 HG21 VAL 31 -14.007 -0.312 -30.519 260 HG22 VAL 31 HG22 VAL 31 -13.522 -0.894 -32.112 261 HG23 VAL 31 HG23 VAL 31 -13.621 0.838 -31.800 262 H ARG 32 HN ARG 32 -13.341 -3.226 -30.428 263 HA ARG 32 HA ARG 32 -12.352 -4.470 -32.916 264 HB2 ARG 32 HB2 ARG 32 -12.991 -6.686 -31.974 265 HB3 ARG 32 HB1 ARG 32 -11.671 -5.922 -31.099 266 HG2 ARG 32 HG2 ARG 32 -13.134 -5.288 -29.306 267 HG3 ARG 32 HG1 ARG 32 -14.549 -5.819 -30.215 268 HD2 ARG 32 HD2 ARG 32 -13.927 -7.442 -28.492 269 HD3 ARG 32 HD1 ARG 32 -13.780 -8.126 -30.110 270 HE ARG 32 HE ARG 32 -11.275 -7.296 -29.646 271 HH11 ARG 32 HH11 ARG 32 -13.486 -9.087 -27.601 272 HH12 ARG 32 HH12 ARG 32 -12.230 -10.035 -26.869 273 HH21 ARG 32 HH21 ARG 32 -9.624 -8.522 -28.659 274 HH22 ARG 32 HH22 ARG 32 -10.029 -9.703 -27.452 275 H ARG 33 HN ARG 33 -13.885 -4.821 -34.419 276 HA ARG 33 HA ARG 33 -16.720 -4.573 -33.622 277 HB2 ARG 33 HB2 ARG 33 -15.436 -3.774 -36.248 278 HB3 ARG 33 HB1 ARG 33 -17.155 -3.698 -35.903 279 HG2 ARG 33 HG2 ARG 33 -15.066 -2.126 -34.400 280 HG3 ARG 33 HG1 ARG 33 -15.958 -1.513 -35.791 281 HD2 ARG 33 HD2 ARG 33 -17.109 -0.680 -33.928 282 HD3 ARG 33 HD1 ARG 33 -18.075 -2.054 -34.466 283 HE ARG 33 HE ARG 33 -16.130 -2.617 -32.382 284 HH11 ARG 33 HH11 ARG 33 -19.440 -1.832 -33.152 285 HH12 ARG 33 HH12 ARG 33 -20.052 -2.325 -31.607 286 HH21 ARG 33 HH21 ARG 33 -16.927 -3.264 -30.340 287 HH22 ARG 33 HH22 ARG 33 -18.634 -3.166 -30.028 288 H ARG 34 HN ARG 34 -17.473 -6.640 -33.571 289 HA ARG 34 HA ARG 34 -16.495 -8.584 -35.478 290 HB2 ARG 34 HB2 ARG 34 -17.989 -10.188 -34.355 291 HB3 ARG 34 HB1 ARG 34 -16.902 -9.385 -33.235 292 HG2 ARG 34 HG2 ARG 34 -18.651 -8.076 -32.321 293 HG3 ARG 34 HG1 ARG 34 -19.752 -8.496 -33.635 294 HD2 ARG 34 HD2 ARG 34 -18.674 -10.388 -31.536 295 HD3 ARG 34 HD1 ARG 34 -20.311 -9.730 -31.601 296 HE ARG 34 HE ARG 34 -19.822 -11.010 -34.037 297 HH11 ARG 34 HH11 ARG 34 -20.192 -11.910 -30.652 298 HH12 ARG 34 HH12 ARG 34 -20.750 -13.511 -31.027 299 HH21 ARG 34 HH21 ARG 34 -20.548 -13.095 -34.500 300 HH22 ARG 34 HH22 ARG 34 -20.973 -14.176 -33.206 301 H ILE 35 HN ILE 35 -17.158 -7.641 -37.421 302 HA ILE 35 HA ILE 35 -19.880 -7.102 -38.034 303 HB ILE 35 HB ILE 35 -17.895 -6.005 -39.088 304 HG12 ILE 35 HG12 ILE 35 -19.775 -7.398 -40.994 305 HG13 ILE 35 HG11 ILE 35 -20.103 -5.906 -40.125 306 HG21 ILE 35 HG21 ILE 35 -16.696 -7.157 -40.896 307 HG22 ILE 35 HG22 ILE 35 -17.562 -8.646 -40.517 308 HG23 ILE 35 HG23 ILE 35 -16.452 -7.947 -39.337 309 HD11 ILE 35 HD11 ILE 35 -18.314 -4.793 -41.357 310 HD12 ILE 35 HD12 ILE 35 -19.528 -5.466 -42.445 311 HD13 ILE 35 HD13 ILE 35 -17.981 -6.291 -42.227 312 H ARG 36 HN ARG 36 -19.511 -9.740 -36.964 313 HA ARG 36 HA ARG 36 -20.655 -11.374 -39.034 314 HB2 ARG 36 HB2 ARG 36 -18.946 -13.206 -38.676 315 HB3 ARG 36 HB1 ARG 36 -18.363 -11.804 -39.559 316 HG2 ARG 36 HG2 ARG 36 -17.387 -10.973 -37.382 317 HG3 ARG 36 HG1 ARG 36 -17.784 -12.547 -36.694 318 HD2 ARG 36 HD2 ARG 36 -15.978 -12.043 -39.064 319 HD3 ARG 36 HD1 ARG 36 -15.455 -12.459 -37.433 320 HE ARG 36 HE ARG 36 -17.017 -14.537 -37.993 321 HH11 ARG 36 HH11 ARG 36 -14.508 -12.994 -39.901 322 HH12 ARG 36 HH12 ARG 36 -14.125 -14.433 -40.794 323 HH21 ARG 36 HH21 ARG 36 -16.486 -16.445 -39.135 324 HH22 ARG 36 HH22 ARG 36 -15.236 -16.401 -40.341 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -19.419 -8.665 -3.968 2 H2 ALA 1 HT2 ALA 1 -17.914 -9.247 -4.474 3 H3 ALA 1 HT3 ALA 1 -19.322 -10.091 -4.867 4 HA ALA 1 HA ALA 1 -20.082 -8.290 -6.242 5 HB1 ALA 1 HB1 ALA 1 -17.444 -6.992 -5.545 6 HB2 ALA 1 HB2 ALA 1 -19.028 -6.476 -4.968 7 HB3 ALA 1 HB3 ALA 1 -18.638 -6.371 -6.686 8 H PHE 2 HN PHE 2 -19.745 -8.570 -8.408 9 HA PHE 2 HA PHE 2 -17.634 -10.452 -9.153 10 HB2 PHE 2 HB2 PHE 2 -20.109 -9.502 -10.632 11 HB3 PHE 2 HB1 PHE 2 -18.929 -10.624 -11.303 12 HD1 PHE 2 HD1 PHE 2 -18.909 -12.922 -10.667 13 HD2 PHE 2 HD2 PHE 2 -21.512 -10.181 -8.703 14 HE1 PHE 2 HE1 PHE 2 -20.105 -14.805 -9.630 15 HE2 PHE 2 HE2 PHE 2 -22.713 -12.060 -7.666 16 HZ PHE 2 HZ PHE 2 -22.009 -14.375 -8.127 17 H ILE 3 HN ILE 3 -16.143 -8.622 -8.753 18 HA ILE 3 HA ILE 3 -16.255 -6.274 -10.309 19 HB ILE 3 HB ILE 3 -13.882 -7.483 -8.862 20 HG12 ILE 3 HG12 ILE 3 -15.864 -5.380 -7.934 21 HG13 ILE 3 HG11 ILE 3 -15.870 -7.064 -7.419 22 HG21 ILE 3 HG21 ILE 3 -13.197 -5.803 -10.505 23 HG22 ILE 3 HG22 ILE 3 -12.967 -5.206 -8.862 24 HG23 ILE 3 HG23 ILE 3 -14.343 -4.651 -9.817 25 HD11 ILE 3 HD11 ILE 3 -14.860 -5.638 -5.749 26 HD12 ILE 3 HD12 ILE 3 -13.667 -5.071 -6.919 27 HD13 ILE 3 HD13 ILE 3 -13.673 -6.760 -6.403 28 H GLN 4 HN GLN 4 -15.560 -5.879 -12.319 29 HA GLN 4 HA GLN 4 -13.724 -7.789 -13.616 30 HB2 GLN 4 HB2 GLN 4 -16.062 -6.372 -14.928 31 HB3 GLN 4 HB1 GLN 4 -14.936 -7.464 -15.723 32 HG2 GLN 4 HG2 GLN 4 -15.737 -9.315 -14.355 33 HG3 GLN 4 HG1 GLN 4 -16.833 -8.225 -13.506 34 HE21 GLN 4 HE21 GLN 4 -17.441 -10.611 -15.067 35 HE22 GLN 4 HE22 GLN 4 -18.521 -10.109 -16.319 36 H LEU 5 HN LEU 5 -11.873 -6.659 -13.652 37 HA LEU 5 HA LEU 5 -11.875 -3.849 -14.474 38 HB2 LEU 5 HB2 LEU 5 -9.591 -5.642 -13.605 39 HB3 LEU 5 HB1 LEU 5 -9.461 -3.929 -13.952 40 HG LEU 5 HG LEU 5 -11.064 -5.142 -11.692 41 HD11 LEU 5 HD11 LEU 5 -8.465 -3.602 -11.660 42 HD12 LEU 5 HD12 LEU 5 -8.661 -5.322 -11.321 43 HD13 LEU 5 HD13 LEU 5 -9.372 -4.124 -10.240 44 HD21 LEU 5 HD21 LEU 5 -12.092 -3.094 -12.519 45 HD22 LEU 5 HD22 LEU 5 -10.547 -2.250 -12.410 46 HD23 LEU 5 HD23 LEU 5 -11.349 -2.817 -10.945 47 H SER 6 HN SER 6 -11.001 -3.155 -16.417 48 HA SER 6 HA SER 6 -10.846 -5.124 -18.516 49 HB2 SER 6 HB2 SER 6 -10.306 -2.155 -18.671 50 HB3 SER 6 HB1 SER 6 -10.636 -3.233 -20.019 51 HG SER 6 HG SER 6 -12.390 -2.281 -18.036 52 H LYS 7 HN LYS 7 -9.090 -5.919 -19.457 53 HA LYS 7 HA LYS 7 -6.475 -5.187 -18.347 54 HB2 LYS 7 HB2 LYS 7 -7.553 -7.713 -19.582 55 HB3 LYS 7 HB1 LYS 7 -5.823 -7.406 -19.612 56 HG2 LYS 7 HG2 LYS 7 -6.323 -8.789 -17.726 57 HG3 LYS 7 HG1 LYS 7 -5.846 -7.194 -17.147 58 HD2 LYS 7 HD2 LYS 7 -7.711 -7.888 -15.833 59 HD3 LYS 7 HD1 LYS 7 -8.299 -6.642 -16.936 60 HE2 LYS 7 HE2 LYS 7 -9.897 -8.459 -16.829 61 HE3 LYS 7 HE1 LYS 7 -9.162 -8.419 -18.430 62 HZ1 LYS 7 HZ1 LYS 7 -7.768 -10.248 -17.852 63 HZ2 LYS 7 HZ2 LYS 7 -9.357 -10.669 -17.464 64 HZ3 LYS 7 HZ3 LYS 7 -8.280 -10.218 -16.241 65 HA PRO 8 HA PRO 8 -5.317 -3.251 -22.166 66 HB2 PRO 8 HB2 PRO 8 -2.538 -4.098 -21.597 67 HB3 PRO 8 HB1 PRO 8 -3.209 -2.470 -21.737 68 HG2 PRO 8 HG2 PRO 8 -2.465 -3.478 -19.368 69 HG3 PRO 8 HG1 PRO 8 -3.873 -2.409 -19.524 70 HD2 PRO 8 HD2 PRO 8 -3.785 -5.401 -19.268 71 HD3 PRO 8 HD1 PRO 8 -4.871 -4.235 -18.480 72 H CYS 9 HN CYS 9 -4.161 -3.718 -24.205 73 HA CYS 9 HA CYS 9 -3.713 -6.539 -24.795 74 HB2 CYS 9 HB2 CYS 9 -5.232 -6.202 -26.864 75 HB3 CYS 9 HB1 CYS 9 -6.003 -6.470 -25.305 76 HG CYS 9 HG CYS 9 -6.304 -3.602 -24.933 77 H ILE 10 HN ILE 10 -3.361 -6.529 -27.427 78 HA ILE 10 HA ILE 10 -0.821 -5.209 -27.656 79 HB ILE 10 HB ILE 10 -2.243 -6.762 -29.831 80 HG12 ILE 10 HG12 ILE 10 -0.513 -7.857 -27.586 81 HG13 ILE 10 HG11 ILE 10 -2.252 -8.087 -27.731 82 HG21 ILE 10 HG21 ILE 10 0.056 -7.317 -30.520 83 HG22 ILE 10 HG22 ILE 10 0.677 -6.303 -29.218 84 HG23 ILE 10 HG23 ILE 10 -0.245 -5.578 -30.537 85 HD11 ILE 10 HD11 ILE 10 -0.141 -9.130 -29.604 86 HD12 ILE 10 HD12 ILE 10 -1.879 -9.315 -29.833 87 HD13 ILE 10 HD13 ILE 10 -1.088 -10.064 -28.445 88 H SER 11 HN SER 11 -0.216 -3.955 -29.665 89 HA SER 11 HA SER 11 -2.148 -1.804 -29.936 90 HB2 SER 11 HB2 SER 11 -0.139 -0.633 -30.987 91 HB3 SER 11 HB1 SER 11 0.026 -1.103 -29.296 92 HG SER 11 HG SER 11 1.817 -1.950 -30.057 93 H ASP 12 HN ASP 12 -1.858 -0.551 -32.141 94 HA ASP 12 HA ASP 12 -3.406 -1.809 -34.036 95 HB2 ASP 12 HB2 ASP 12 -1.349 0.356 -34.597 96 HB3 ASP 12 HB1 ASP 12 -2.711 -0.055 -35.626 97 H LYS 13 HN LYS 13 0.089 -1.569 -33.869 98 HA LYS 13 HA LYS 13 0.864 -2.422 -36.354 99 HB2 LYS 13 HB2 LYS 13 2.365 -1.600 -34.542 100 HB3 LYS 13 HB1 LYS 13 2.211 -3.160 -33.746 101 HG2 LYS 13 HG2 LYS 13 4.279 -3.162 -34.920 102 HG3 LYS 13 HG1 LYS 13 3.176 -4.216 -35.806 103 HD2 LYS 13 HD2 LYS 13 4.418 -2.823 -37.360 104 HD3 LYS 13 HD1 LYS 13 2.712 -2.370 -37.385 105 HE2 LYS 13 HE2 LYS 13 4.170 -0.397 -37.391 106 HE3 LYS 13 HE1 LYS 13 3.181 -0.462 -35.933 107 HZ1 LYS 13 HZ1 LYS 13 5.090 -1.354 -34.736 108 HZ2 LYS 13 HZ2 LYS 13 5.452 0.145 -35.425 109 HZ3 LYS 13 HZ3 LYS 13 6.029 -1.272 -36.140 110 H GLU 14 HN GLU 14 -0.382 -4.371 -33.714 111 HA GLU 14 HA GLU 14 0.168 -6.796 -35.313 112 HB2 GLU 14 HB2 GLU 14 0.069 -6.506 -32.307 113 HB3 GLU 14 HB1 GLU 14 0.239 -8.034 -33.162 114 HG2 GLU 14 HG2 GLU 14 2.349 -7.315 -34.105 115 HG3 GLU 14 HG1 GLU 14 2.177 -5.731 -33.350 116 H CYS 15 HN CYS 15 -2.246 -4.823 -33.986 117 HA CYS 15 HA CYS 15 -4.303 -6.847 -34.040 118 HB2 CYS 15 HB2 CYS 15 -4.394 -3.835 -33.883 119 HB3 CYS 15 HB1 CYS 15 -5.849 -4.822 -33.975 120 HG CYS 15 HG CYS 15 -3.754 -4.329 -31.385 121 H SER 16 HN SER 16 -2.589 -5.141 -36.397 122 HA SER 16 HA SER 16 -4.606 -4.858 -38.376 123 HB2 SER 16 HB2 SER 16 -1.607 -5.133 -38.742 124 HB3 SER 16 HB1 SER 16 -2.746 -4.532 -39.947 125 HG SER 16 HG SER 16 -2.737 -3.283 -37.449 126 H ILE 17 HN ILE 17 -5.743 -6.825 -38.340 127 HA ILE 17 HA ILE 17 -4.373 -9.108 -39.629 128 HB ILE 17 HB ILE 17 -6.687 -9.214 -37.666 129 HG12 ILE 17 HG12 ILE 17 -4.567 -8.679 -36.544 130 HG13 ILE 17 HG11 ILE 17 -5.103 -10.302 -36.123 131 HG21 ILE 17 HG21 ILE 17 -6.843 -10.983 -39.331 132 HG22 ILE 17 HG22 ILE 17 -6.426 -11.649 -37.750 133 HG23 ILE 17 HG23 ILE 17 -5.182 -11.475 -38.992 134 HD11 ILE 17 HD11 ILE 17 -2.705 -10.209 -36.503 135 HD12 ILE 17 HD12 ILE 17 -2.976 -9.624 -38.144 136 HD13 ILE 17 HD13 ILE 17 -3.496 -11.247 -37.688 137 H VAL 18 HN VAL 18 -5.540 -10.224 -41.240 138 HA VAL 18 HA VAL 18 -7.138 -8.676 -42.928 139 HB VAL 18 HB VAL 18 -6.948 -11.700 -42.839 140 HG11 VAL 18 HG11 VAL 18 -7.586 -11.634 -45.195 141 HG12 VAL 18 HG12 VAL 18 -7.754 -9.881 -45.115 142 HG13 VAL 18 HG13 VAL 18 -8.842 -10.911 -44.186 143 HG21 VAL 18 HG21 VAL 18 -5.194 -11.429 -44.547 144 HG22 VAL 18 HG22 VAL 18 -4.747 -10.684 -43.011 145 HG23 VAL 18 HG23 VAL 18 -5.289 -9.678 -44.357 146 H LYS 19 HN LYS 19 -8.007 -10.807 -40.295 147 HA LYS 19 HA LYS 19 -10.788 -10.958 -41.000 148 HB2 LYS 19 HB2 LYS 19 -9.344 -11.740 -38.460 149 HB3 LYS 19 HB1 LYS 19 -11.049 -12.049 -38.767 150 HG2 LYS 19 HG2 LYS 19 -10.428 -13.434 -40.706 151 HG3 LYS 19 HG1 LYS 19 -8.725 -13.156 -40.338 152 HD2 LYS 19 HD2 LYS 19 -10.723 -14.495 -38.504 153 HD3 LYS 19 HD1 LYS 19 -9.517 -15.328 -39.486 154 HE2 LYS 19 HE2 LYS 19 -7.729 -14.182 -38.255 155 HE3 LYS 19 HE1 LYS 19 -8.931 -13.346 -37.274 156 HZ1 LYS 19 HZ1 LYS 19 -8.526 -16.287 -37.375 157 HZ2 LYS 19 HZ2 LYS 19 -9.667 -15.478 -36.422 158 HZ3 LYS 19 HZ3 LYS 19 -8.018 -15.261 -36.129 159 H ASN 20 HN ASN 20 -8.981 -8.535 -39.819 160 HA ASN 20 HA ASN 20 -11.182 -7.363 -38.259 161 HB2 ASN 20 HB2 ASN 20 -8.229 -6.672 -38.214 162 HB3 ASN 20 HB1 ASN 20 -9.475 -5.808 -37.319 163 HD21 ASN 20 HD21 ASN 20 -7.146 -7.184 -36.322 164 HD22 ASN 20 HD22 ASN 20 -7.715 -8.402 -35.236 165 H TYR 21 HN TYR 21 -12.264 -6.790 -40.176 166 HA TYR 21 HA TYR 21 -11.213 -5.377 -42.328 167 HB2 TYR 21 HB2 TYR 21 -14.031 -5.221 -41.222 168 HB3 TYR 21 HB1 TYR 21 -13.533 -4.739 -42.844 169 HD1 TYR 21 HD1 TYR 21 -14.813 -7.401 -40.872 170 HD2 TYR 21 HD2 TYR 21 -12.408 -6.606 -44.302 171 HE1 TYR 21 HE1 TYR 21 -15.200 -9.692 -41.671 172 HE2 TYR 21 HE2 TYR 21 -12.797 -8.898 -45.104 173 HH TYR 21 HH TYR 21 -13.394 -11.109 -44.126 174 H ARG 22 HN ARG 22 -12.311 -4.241 -39.209 175 HA ARG 22 HA ARG 22 -10.926 -1.750 -39.626 176 HB2 ARG 22 HB2 ARG 22 -13.288 -1.436 -40.542 177 HB3 ARG 22 HB1 ARG 22 -13.863 -1.623 -38.893 178 HG2 ARG 22 HG2 ARG 22 -11.806 0.455 -39.571 179 HG3 ARG 22 HG1 ARG 22 -13.519 0.755 -39.850 180 HD2 ARG 22 HD2 ARG 22 -12.307 -0.014 -37.192 181 HD3 ARG 22 HD1 ARG 22 -12.711 1.632 -37.683 182 HE ARG 22 HE ARG 22 -14.938 -0.158 -37.894 183 HH11 ARG 22 HH11 ARG 22 -13.114 1.812 -35.653 184 HH12 ARG 22 HH12 ARG 22 -14.451 2.056 -34.578 185 HH21 ARG 22 HH21 ARG 22 -16.698 0.156 -36.512 186 HH22 ARG 22 HH22 ARG 22 -16.512 1.101 -35.067 187 H ALA 23 HN ALA 23 -9.649 -1.909 -37.901 188 HA ALA 23 HA ALA 23 -10.826 -1.829 -35.248 189 HB1 ALA 23 HB1 ALA 23 -8.879 -4.020 -35.991 190 HB2 ALA 23 HB2 ALA 23 -10.596 -4.244 -35.644 191 HB3 ALA 23 HB3 ALA 23 -9.504 -3.688 -34.373 192 H ARG 24 HN ARG 24 -9.436 -0.947 -33.714 193 HA ARG 24 HA ARG 24 -6.705 -0.260 -34.475 194 HB2 ARG 24 HB2 ARG 24 -8.870 1.749 -33.842 195 HB3 ARG 24 HB1 ARG 24 -7.173 2.119 -33.567 196 HG2 ARG 24 HG2 ARG 24 -6.679 1.828 -35.912 197 HG3 ARG 24 HG1 ARG 24 -8.333 1.301 -36.228 198 HD2 ARG 24 HD2 ARG 24 -9.197 3.478 -35.726 199 HD3 ARG 24 HD1 ARG 24 -7.634 4.023 -35.123 200 HE ARG 24 HE ARG 24 -7.016 4.494 -37.263 201 HH11 ARG 24 HH11 ARG 24 -9.758 2.323 -37.383 202 HH12 ARG 24 HH12 ARG 24 -9.852 2.337 -39.113 203 HH21 ARG 24 HH21 ARG 24 -7.183 4.577 -39.521 204 HH22 ARG 24 HH22 ARG 24 -8.417 3.660 -40.332 205 H CYS 25 HN CYS 25 -5.403 -0.671 -32.821 206 HA CYS 25 HA CYS 25 -6.524 -0.712 -30.082 207 HB2 CYS 25 HB2 CYS 25 -4.271 -2.448 -31.121 208 HB3 CYS 25 HB1 CYS 25 -5.078 -2.567 -29.561 209 HG CYS 25 HG CYS 25 -7.089 -2.927 -32.223 210 H ARG 26 HN ARG 26 -5.546 0.710 -28.721 211 HA ARG 26 HA ARG 26 -2.856 1.660 -29.314 212 HB2 ARG 26 HB2 ARG 26 -4.674 2.901 -30.677 213 HB3 ARG 26 HB1 ARG 26 -5.112 3.647 -29.150 214 HG2 ARG 26 HG2 ARG 26 -3.141 4.855 -29.018 215 HG3 ARG 26 HG1 ARG 26 -2.280 3.759 -30.109 216 HD2 ARG 26 HD2 ARG 26 -4.444 5.741 -30.830 217 HD3 ARG 26 HD1 ARG 26 -2.746 5.789 -31.311 218 HE ARG 26 HE ARG 26 -3.583 3.399 -32.280 219 HH11 ARG 26 HH11 ARG 26 -4.816 6.669 -32.631 220 HH12 ARG 26 HH12 ARG 26 -5.521 6.355 -34.188 221 HH21 ARG 26 HH21 ARG 26 -4.521 2.986 -34.307 222 HH22 ARG 26 HH22 ARG 26 -5.323 4.274 -35.160 223 H LYS 27 HN LYS 27 -1.796 2.370 -27.545 224 HA LYS 27 HA LYS 27 -1.278 2.727 -25.371 225 HB2 LYS 27 HB2 LYS 27 -3.967 4.118 -25.439 226 HB3 LYS 27 HB1 LYS 27 -2.813 4.259 -24.117 227 HG2 LYS 27 HG2 LYS 27 -1.160 5.200 -25.686 228 HG3 LYS 27 HG1 LYS 27 -2.360 5.110 -26.977 229 HD2 LYS 27 HD2 LYS 27 -3.798 6.670 -25.785 230 HD3 LYS 27 HD1 LYS 27 -2.668 6.711 -24.428 231 HE2 LYS 27 HE2 LYS 27 -2.065 7.612 -27.247 232 HE3 LYS 27 HE1 LYS 27 -2.433 8.674 -25.891 233 HZ1 LYS 27 HZ1 LYS 27 -0.445 7.876 -24.767 234 HZ2 LYS 27 HZ2 LYS 27 -0.051 8.519 -26.279 235 HZ3 LYS 27 HZ3 LYS 27 -0.093 6.844 -26.062 236 H GLY 28 HN GLY 28 -2.584 0.236 -26.007 237 HA2 GLY 28 HA2 GLY 28 -2.786 -1.601 -24.554 238 HA3 GLY 28 HA1 GLY 28 -3.243 -0.510 -23.257 239 H TYR 29 HN TYR 29 -5.151 0.688 -25.438 240 HA TYR 29 HA TYR 29 -7.379 -1.068 -24.715 241 HB2 TYR 29 HB2 TYR 29 -7.440 1.637 -26.088 242 HB3 TYR 29 HB1 TYR 29 -8.824 0.766 -25.440 243 HD1 TYR 29 HD1 TYR 29 -6.079 3.004 -24.694 244 HD2 TYR 29 HD2 TYR 29 -9.044 0.493 -22.946 245 HE1 TYR 29 HE1 TYR 29 -5.774 4.148 -22.543 246 HE2 TYR 29 HE2 TYR 29 -8.745 1.637 -20.790 247 HH TYR 29 HH TYR 29 -7.025 4.557 -20.480 248 H CYS 30 HN CYS 30 -8.815 -1.919 -26.299 249 HA CYS 30 HA CYS 30 -7.854 -1.820 -29.083 250 HB2 CYS 30 HB2 CYS 30 -8.903 -4.196 -27.536 251 HB3 CYS 30 HB1 CYS 30 -8.799 -4.174 -29.294 252 HG CYS 30 HG CYS 30 -5.929 -3.288 -27.877 253 H VAL 31 HN VAL 31 -9.265 -0.990 -30.423 254 HA VAL 31 HA VAL 31 -12.140 -1.052 -29.778 255 HB VAL 31 HB VAL 31 -10.688 0.821 -31.665 256 HG11 VAL 31 HG11 VAL 31 -13.536 0.858 -30.661 257 HG12 VAL 31 HG12 VAL 31 -13.014 0.454 -32.296 258 HG13 VAL 31 HG13 VAL 31 -12.791 2.090 -31.680 259 HG21 VAL 31 HG21 VAL 31 -10.043 1.230 -29.332 260 HG22 VAL 31 HG22 VAL 31 -11.742 1.375 -28.885 261 HG23 VAL 31 HG23 VAL 31 -11.016 2.560 -29.971 262 H ARG 32 HN ARG 32 -13.244 -2.498 -30.901 263 HA ARG 32 HA ARG 32 -12.610 -2.947 -33.732 264 HB2 ARG 32 HB2 ARG 32 -11.615 -4.802 -32.366 265 HB3 ARG 32 HB1 ARG 32 -13.223 -5.176 -31.764 266 HG2 ARG 32 HG2 ARG 32 -13.935 -5.606 -34.115 267 HG3 ARG 32 HG1 ARG 32 -12.258 -5.381 -34.615 268 HD2 ARG 32 HD2 ARG 32 -13.299 -7.486 -32.710 269 HD3 ARG 32 HD1 ARG 32 -12.770 -7.750 -34.370 270 HE ARG 32 HE ARG 32 -10.702 -6.563 -32.823 271 HH11 ARG 32 HH11 ARG 32 -12.295 -9.634 -33.418 272 HH12 ARG 32 HH12 ARG 32 -10.930 -10.578 -32.912 273 HH21 ARG 32 HH21 ARG 32 -8.917 -7.823 -32.159 274 HH22 ARG 32 HH22 ARG 32 -9.028 -9.554 -32.195 275 H ARG 33 HN ARG 33 -14.434 -3.391 -35.005 276 HA ARG 33 HA ARG 33 -16.904 -2.398 -34.005 277 HB2 ARG 33 HB2 ARG 33 -16.198 -2.210 -36.393 278 HB3 ARG 33 HB1 ARG 33 -16.412 -3.948 -36.567 279 HG2 ARG 33 HG2 ARG 33 -18.325 -2.729 -37.459 280 HG3 ARG 33 HG1 ARG 33 -18.799 -3.716 -36.072 281 HD2 ARG 33 HD2 ARG 33 -18.657 -1.721 -34.633 282 HD3 ARG 33 HD1 ARG 33 -18.237 -0.747 -36.041 283 HE ARG 33 HE ARG 33 -20.486 -1.440 -36.936 284 HH11 ARG 33 HH11 ARG 33 -19.857 -1.276 -33.483 285 HH12 ARG 33 HH12 ARG 33 -21.515 -0.977 -33.073 286 HH21 ARG 33 HH21 ARG 33 -22.665 -1.004 -36.373 287 HH22 ARG 33 HH22 ARG 33 -23.099 -0.820 -34.698 288 H ARG 34 HN ARG 34 -17.462 -3.664 -32.243 289 HA ARG 34 HA ARG 34 -17.694 -6.497 -32.338 290 HB2 ARG 34 HB2 ARG 34 -17.451 -5.067 -30.249 291 HB3 ARG 34 HB1 ARG 34 -19.146 -4.638 -30.438 292 HG2 ARG 34 HG2 ARG 34 -19.673 -7.099 -30.342 293 HG3 ARG 34 HG1 ARG 34 -17.990 -7.369 -29.895 294 HD2 ARG 34 HD2 ARG 34 -20.092 -5.839 -28.372 295 HD3 ARG 34 HD1 ARG 34 -19.256 -7.309 -27.879 296 HE ARG 34 HE ARG 34 -17.986 -4.650 -28.082 297 HH11 ARG 34 HH11 ARG 34 -18.226 -7.818 -26.585 298 HH12 ARG 34 HH12 ARG 34 -17.038 -7.452 -25.370 299 HH21 ARG 34 HH21 ARG 34 -16.441 -4.190 -26.492 300 HH22 ARG 34 HH22 ARG 34 -16.006 -5.405 -25.330 301 H ILE 35 HN ILE 35 -18.919 -7.043 -34.140 302 HA ILE 35 HA ILE 35 -21.448 -5.957 -34.780 303 HB ILE 35 HB ILE 35 -20.318 -8.677 -35.502 304 HG12 ILE 35 HG12 ILE 35 -20.265 -6.064 -37.046 305 HG13 ILE 35 HG11 ILE 35 -18.889 -6.781 -36.216 306 HG21 ILE 35 HG21 ILE 35 -22.582 -7.110 -36.756 307 HG22 ILE 35 HG22 ILE 35 -22.736 -8.589 -35.808 308 HG23 ILE 35 HG23 ILE 35 -21.917 -8.624 -37.369 309 HD11 ILE 35 HD11 ILE 35 -20.369 -8.002 -38.537 310 HD12 ILE 35 HD12 ILE 35 -18.964 -8.692 -37.722 311 HD13 ILE 35 HD13 ILE 35 -18.810 -7.179 -38.616 312 H ARG 36 HN ARG 36 -20.486 -8.846 -32.958 313 HA ARG 36 HA ARG 36 -23.250 -9.058 -31.942 314 HB2 ARG 36 HB2 ARG 36 -22.550 -10.959 -33.433 315 HB3 ARG 36 HB1 ARG 36 -21.274 -11.333 -32.282 316 HG2 ARG 36 HG2 ARG 36 -23.028 -12.826 -31.799 317 HG3 ARG 36 HG1 ARG 36 -23.099 -11.596 -30.537 318 HD2 ARG 36 HD2 ARG 36 -25.337 -12.046 -31.292 319 HD3 ARG 36 HD1 ARG 36 -24.874 -10.436 -31.851 320 HE ARG 36 HE ARG 36 -24.247 -12.285 -33.862 321 HH11 ARG 36 HH11 ARG 36 -27.107 -10.966 -32.318 322 HH12 ARG 36 HH12 ARG 36 -28.108 -11.188 -33.718 323 HH21 ARG 36 HH21 ARG 36 -25.581 -12.598 -35.685 324 HH22 ARG 36 HH22 ARG 36 -27.247 -12.111 -35.619 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -2.842 6.117 0.735 2 H2 ALA 1 HT2 ALA 1 -2.749 4.444 0.502 3 H3 ALA 1 HT3 ALA 1 -4.219 5.154 0.931 4 HA ALA 1 HA ALA 1 -4.332 6.319 -1.149 5 HB1 ALA 1 HB1 ALA 1 -1.928 6.624 -1.483 6 HB2 ALA 1 HB2 ALA 1 -2.671 5.879 -2.900 7 HB3 ALA 1 HB3 ALA 1 -1.741 4.894 -1.770 8 H PHE 2 HN PHE 2 -4.946 5.220 -3.235 9 HA PHE 2 HA PHE 2 -5.611 2.378 -2.785 10 HB2 PHE 2 HB2 PHE 2 -7.281 4.540 -4.099 11 HB3 PHE 2 HB1 PHE 2 -7.663 2.824 -4.188 12 HD1 PHE 2 HD1 PHE 2 -7.370 5.719 -1.909 13 HD2 PHE 2 HD2 PHE 2 -8.703 1.696 -2.372 14 HE1 PHE 2 HE1 PHE 2 -8.605 5.885 0.211 15 HE2 PHE 2 HE2 PHE 2 -9.941 1.861 -0.253 16 HZ PHE 2 HZ PHE 2 -9.893 3.954 1.039 17 H ILE 3 HN ILE 3 -3.945 1.509 -3.951 18 HA ILE 3 HA ILE 3 -3.223 2.555 -6.529 19 HB ILE 3 HB ILE 3 -1.485 1.581 -5.138 20 HG12 ILE 3 HG12 ILE 3 -0.469 0.016 -6.782 21 HG13 ILE 3 HG11 ILE 3 -2.017 -0.096 -7.612 22 HG21 ILE 3 HG21 ILE 3 -1.391 -0.833 -4.670 23 HG22 ILE 3 HG22 ILE 3 -3.002 -1.019 -5.361 24 HG23 ILE 3 HG23 ILE 3 -2.774 -0.052 -3.903 25 HD11 ILE 3 HD11 ILE 3 -1.902 2.297 -8.123 26 HD12 ILE 3 HD12 ILE 3 -0.521 1.410 -8.768 27 HD13 ILE 3 HD13 ILE 3 -0.337 2.386 -7.312 28 H GLN 4 HN GLN 4 -4.171 2.078 -8.386 29 HA GLN 4 HA GLN 4 -5.611 -0.472 -8.696 30 HB2 GLN 4 HB2 GLN 4 -6.590 2.295 -9.439 31 HB3 GLN 4 HB1 GLN 4 -7.321 0.819 -10.057 32 HG2 GLN 4 HG2 GLN 4 -7.086 1.426 -7.116 33 HG3 GLN 4 HG1 GLN 4 -8.470 1.911 -8.094 34 HE21 GLN 4 HE21 GLN 4 -9.869 0.646 -6.888 35 HE22 GLN 4 HE22 GLN 4 -9.917 -1.077 -7.035 36 H LEU 5 HN LEU 5 -4.838 -1.566 -10.351 37 HA LEU 5 HA LEU 5 -3.608 -0.118 -12.608 38 HB2 LEU 5 HB2 LEU 5 -3.060 -2.934 -11.628 39 HB3 LEU 5 HB1 LEU 5 -2.294 -2.167 -13.009 40 HG LEU 5 HG LEU 5 -2.004 -1.274 -10.129 41 HD11 LEU 5 HD11 LEU 5 -0.868 -3.397 -10.569 42 HD12 LEU 5 HD12 LEU 5 0.287 -2.091 -10.308 43 HD13 LEU 5 HD13 LEU 5 -0.033 -2.670 -11.943 44 HD21 LEU 5 HD21 LEU 5 -1.858 0.591 -11.711 45 HD22 LEU 5 HD22 LEU 5 -0.631 -0.281 -12.632 46 HD23 LEU 5 HD23 LEU 5 -0.291 0.241 -10.982 47 H SER 6 HN SER 6 -4.076 -0.850 -14.714 48 HA SER 6 HA SER 6 -6.497 -2.518 -14.946 49 HB2 SER 6 HB2 SER 6 -6.975 -1.184 -17.024 50 HB3 SER 6 HB1 SER 6 -7.022 -0.230 -15.543 51 HG SER 6 HG SER 6 -5.525 0.976 -16.371 52 H LYS 7 HN LYS 7 -6.672 -3.356 -17.334 53 HA LYS 7 HA LYS 7 -4.084 -4.583 -18.026 54 HB2 LYS 7 HB2 LYS 7 -5.507 -6.347 -19.151 55 HB3 LYS 7 HB1 LYS 7 -5.635 -6.282 -17.399 56 HG2 LYS 7 HG2 LYS 7 -7.751 -5.076 -17.579 57 HG3 LYS 7 HG1 LYS 7 -7.624 -5.101 -19.339 58 HD2 LYS 7 HD2 LYS 7 -7.772 -7.557 -17.580 59 HD3 LYS 7 HD1 LYS 7 -9.139 -6.852 -18.443 60 HE2 LYS 7 HE2 LYS 7 -7.952 -7.229 -20.577 61 HE3 LYS 7 HE1 LYS 7 -6.631 -7.985 -19.689 62 HZ1 LYS 7 HZ1 LYS 7 -9.434 -8.962 -19.667 63 HZ2 LYS 7 HZ2 LYS 7 -8.095 -9.726 -18.975 64 HZ3 LYS 7 HZ3 LYS 7 -8.215 -9.586 -20.655 65 HA PRO 8 HA PRO 8 -4.770 -2.068 -21.761 66 HB2 PRO 8 HB2 PRO 8 -2.215 -1.466 -22.232 67 HB3 PRO 8 HB1 PRO 8 -3.085 -0.703 -20.896 68 HG2 PRO 8 HG2 PRO 8 -1.121 -2.965 -20.824 69 HG3 PRO 8 HG1 PRO 8 -1.284 -1.590 -19.717 70 HD2 PRO 8 HD2 PRO 8 -2.304 -4.136 -19.263 71 HD3 PRO 8 HD1 PRO 8 -2.859 -2.656 -18.459 72 H CYS 9 HN CYS 9 -3.350 -2.203 -23.929 73 HA CYS 9 HA CYS 9 -2.599 -4.955 -24.529 74 HB2 CYS 9 HB2 CYS 9 -4.156 -4.613 -26.670 75 HB3 CYS 9 HB1 CYS 9 -4.783 -5.279 -25.165 76 HG CYS 9 HG CYS 9 -6.496 -3.435 -24.652 77 H ILE 10 HN ILE 10 -2.287 -4.871 -27.185 78 HA ILE 10 HA ILE 10 0.022 -3.130 -27.385 79 HB ILE 10 HB ILE 10 0.361 -4.460 -29.584 80 HG12 ILE 10 HG12 ILE 10 -0.677 -6.750 -29.495 81 HG13 ILE 10 HG11 ILE 10 -1.730 -6.181 -28.208 82 HG21 ILE 10 HG21 ILE 10 0.513 -5.828 -26.897 83 HG22 ILE 10 HG22 ILE 10 1.717 -4.737 -27.586 84 HG23 ILE 10 HG23 ILE 10 1.406 -6.299 -28.344 85 HD11 ILE 10 HD11 ILE 10 -2.747 -4.587 -29.734 86 HD12 ILE 10 HD12 ILE 10 -2.855 -6.230 -30.366 87 HD13 ILE 10 HD13 ILE 10 -1.661 -5.111 -31.019 88 H SER 11 HN SER 11 0.479 -2.530 -29.851 89 HA SER 11 HA SER 11 -1.588 -0.572 -30.502 90 HB2 SER 11 HB2 SER 11 0.245 0.453 -31.884 91 HB3 SER 11 HB1 SER 11 0.646 0.308 -30.172 92 HG SER 11 HG SER 11 2.232 -0.967 -30.681 93 H ASP 12 HN ASP 12 -1.550 -0.017 -32.975 94 HA ASP 12 HA ASP 12 -2.857 -1.944 -34.430 95 HB2 ASP 12 HB2 ASP 12 -1.108 0.259 -35.561 96 HB3 ASP 12 HB1 ASP 12 -2.353 -0.613 -36.445 97 H LYS 13 HN LYS 13 0.574 -1.548 -34.011 98 HA LYS 13 HA LYS 13 1.447 -2.897 -36.330 99 HB2 LYS 13 HB2 LYS 13 2.875 -2.506 -33.694 100 HB3 LYS 13 HB1 LYS 13 3.636 -3.000 -35.203 101 HG2 LYS 13 HG2 LYS 13 2.344 -0.346 -34.584 102 HG3 LYS 13 HG1 LYS 13 4.052 -0.669 -34.897 103 HD2 LYS 13 HD2 LYS 13 3.461 -1.364 -37.204 104 HD3 LYS 13 HD1 LYS 13 1.779 -0.949 -36.876 105 HE2 LYS 13 HE2 LYS 13 2.802 0.863 -38.077 106 HE3 LYS 13 HE1 LYS 13 2.492 1.386 -36.423 107 HZ1 LYS 13 HZ1 LYS 13 5.110 0.454 -37.467 108 HZ2 LYS 13 HZ2 LYS 13 4.811 1.008 -35.898 109 HZ3 LYS 13 HZ3 LYS 13 4.676 2.068 -37.207 110 H GLU 14 HN GLU 14 -0.078 -4.159 -33.597 111 HA GLU 14 HA GLU 14 0.648 -6.869 -34.516 112 HB2 GLU 14 HB2 GLU 14 1.594 -6.130 -32.201 113 HB3 GLU 14 HB1 GLU 14 -0.059 -6.303 -31.637 114 HG2 GLU 14 HG2 GLU 14 1.289 -8.567 -33.060 115 HG3 GLU 14 HG1 GLU 14 1.630 -8.259 -31.364 116 H CYS 15 HN CYS 15 -1.698 -4.628 -33.315 117 HA CYS 15 HA CYS 15 -3.962 -6.307 -33.166 118 HB2 CYS 15 HB2 CYS 15 -3.777 -4.044 -32.163 119 HB3 CYS 15 HB1 CYS 15 -3.793 -3.345 -33.773 120 HG CYS 15 HG CYS 15 -6.347 -3.595 -34.268 121 H SER 16 HN SER 16 -2.807 -4.129 -35.739 122 HA SER 16 HA SER 16 -4.723 -5.310 -37.605 123 HB2 SER 16 HB2 SER 16 -4.545 -2.810 -37.413 124 HB3 SER 16 HB1 SER 16 -2.900 -2.925 -38.034 125 HG SER 16 HG SER 16 -5.054 -4.073 -39.457 126 H ILE 17 HN ILE 17 -3.605 -7.304 -37.699 127 HA ILE 17 HA ILE 17 -1.420 -7.254 -39.680 128 HB ILE 17 HB ILE 17 -0.434 -7.904 -37.542 129 HG12 ILE 17 HG12 ILE 17 0.455 -10.154 -38.170 130 HG13 ILE 17 HG11 ILE 17 -0.774 -10.263 -39.425 131 HG21 ILE 17 HG21 ILE 17 -2.415 -8.691 -36.389 132 HG22 ILE 17 HG22 ILE 17 -1.157 -9.926 -36.350 133 HG23 ILE 17 HG23 ILE 17 -2.516 -10.089 -37.463 134 HD11 ILE 17 HD11 ILE 17 1.379 -9.625 -40.340 135 HD12 ILE 17 HD12 ILE 17 1.428 -8.212 -39.285 136 HD13 ILE 17 HD13 ILE 17 0.201 -8.331 -40.547 137 H VAL 18 HN VAL 18 -4.240 -8.837 -38.328 138 HA VAL 18 HA VAL 18 -4.419 -10.699 -40.559 139 HB VAL 18 HB VAL 18 -6.419 -11.587 -39.401 140 HG11 VAL 18 HG11 VAL 18 -4.000 -11.328 -37.606 141 HG12 VAL 18 HG12 VAL 18 -4.201 -12.507 -38.902 142 HG13 VAL 18 HG13 VAL 18 -5.252 -12.565 -37.488 143 HG21 VAL 18 HG21 VAL 18 -6.961 -10.796 -37.124 144 HG22 VAL 18 HG22 VAL 18 -7.219 -9.545 -38.340 145 HG23 VAL 18 HG23 VAL 18 -5.789 -9.490 -37.309 146 H LYS 19 HN LYS 19 -5.899 -10.571 -42.163 147 HA LYS 19 HA LYS 19 -7.479 -8.109 -42.368 148 HB2 LYS 19 HB2 LYS 19 -7.716 -8.715 -44.742 149 HB3 LYS 19 HB1 LYS 19 -6.027 -8.652 -44.256 150 HG2 LYS 19 HG2 LYS 19 -6.094 -11.150 -44.007 151 HG3 LYS 19 HG1 LYS 19 -7.707 -11.113 -44.722 152 HD2 LYS 19 HD2 LYS 19 -6.066 -11.632 -46.431 153 HD3 LYS 19 HD1 LYS 19 -6.757 -10.038 -46.742 154 HE2 LYS 19 HE2 LYS 19 -4.798 -8.971 -45.769 155 HE3 LYS 19 HE1 LYS 19 -4.115 -10.543 -45.362 156 HZ1 LYS 19 HZ1 LYS 19 -4.656 -9.553 -48.107 157 HZ2 LYS 19 HZ2 LYS 19 -3.998 -11.062 -47.720 158 HZ3 LYS 19 HZ3 LYS 19 -3.135 -9.650 -47.374 159 H ASN 20 HN ASN 20 -7.982 -10.822 -40.887 160 HA ASN 20 HA ASN 20 -10.380 -11.872 -42.013 161 HB2 ASN 20 HB2 ASN 20 -9.170 -12.149 -39.248 162 HB3 ASN 20 HB1 ASN 20 -10.603 -13.018 -39.781 163 HD21 ASN 20 HD21 ASN 20 -9.664 -15.010 -39.535 164 HD22 ASN 20 HD22 ASN 20 -8.419 -15.601 -40.578 165 H TYR 21 HN TYR 21 -9.634 -9.459 -39.567 166 HA TYR 21 HA TYR 21 -12.368 -8.480 -39.678 167 HB2 TYR 21 HB2 TYR 21 -12.533 -8.376 -37.182 168 HB3 TYR 21 HB1 TYR 21 -12.541 -10.012 -37.823 169 HD1 TYR 21 HD1 TYR 21 -10.747 -11.556 -37.320 170 HD2 TYR 21 HD2 TYR 21 -10.572 -7.527 -35.939 171 HE1 TYR 21 HE1 TYR 21 -8.902 -12.159 -35.807 172 HE2 TYR 21 HE2 TYR 21 -8.729 -8.120 -34.427 173 HH TYR 21 HH TYR 21 -7.832 -10.119 -33.310 174 H ARG 22 HN ARG 22 -12.458 -6.493 -38.063 175 HA ARG 22 HA ARG 22 -10.144 -4.816 -38.780 176 HB2 ARG 22 HB2 ARG 22 -11.888 -2.928 -38.520 177 HB3 ARG 22 HB1 ARG 22 -11.982 -3.954 -39.946 178 HG2 ARG 22 HG2 ARG 22 -13.739 -5.293 -38.793 179 HG3 ARG 22 HG1 ARG 22 -13.704 -4.124 -37.475 180 HD2 ARG 22 HD2 ARG 22 -14.443 -2.367 -38.929 181 HD3 ARG 22 HD1 ARG 22 -14.273 -3.399 -40.349 182 HE ARG 22 HE ARG 22 -16.128 -4.329 -38.311 183 HH11 ARG 22 HH11 ARG 22 -15.721 -2.537 -41.288 184 HH12 ARG 22 HH12 ARG 22 -17.360 -2.768 -41.808 185 HH21 ARG 22 HH21 ARG 22 -18.290 -4.639 -38.979 186 HH22 ARG 22 HH22 ARG 22 -18.825 -3.968 -40.490 187 H ALA 23 HN ALA 23 -8.862 -4.786 -37.048 188 HA ALA 23 HA ALA 23 -10.029 -4.300 -34.383 189 HB1 ALA 23 HB1 ALA 23 -7.960 -5.188 -33.464 190 HB2 ALA 23 HB2 ALA 23 -7.265 -5.330 -35.077 191 HB3 ALA 23 HB3 ALA 23 -8.640 -6.338 -34.616 192 H ARG 24 HN ARG 24 -9.834 -2.307 -33.590 193 HA ARG 24 HA ARG 24 -7.662 -0.576 -34.595 194 HB2 ARG 24 HB2 ARG 24 -10.321 -0.034 -34.694 195 HB3 ARG 24 HB1 ARG 24 -9.955 0.618 -33.105 196 HG2 ARG 24 HG2 ARG 24 -8.719 1.437 -35.734 197 HG3 ARG 24 HG1 ARG 24 -9.840 2.372 -34.746 198 HD2 ARG 24 HD2 ARG 24 -8.131 2.431 -32.944 199 HD3 ARG 24 HD1 ARG 24 -7.006 1.605 -34.026 200 HE ARG 24 HE ARG 24 -8.182 4.243 -34.655 201 HH11 ARG 24 HH11 ARG 24 -5.409 2.098 -34.472 202 HH12 ARG 24 HH12 ARG 24 -4.321 3.252 -35.165 203 HH21 ARG 24 HH21 ARG 24 -6.746 5.748 -35.596 204 HH22 ARG 24 HH22 ARG 24 -5.078 5.314 -35.819 205 H CYS 25 HN CYS 25 -6.013 -0.823 -33.187 206 HA CYS 25 HA CYS 25 -6.601 -0.566 -30.303 207 HB2 CYS 25 HB2 CYS 25 -4.360 -2.157 -31.583 208 HB3 CYS 25 HB1 CYS 25 -4.699 -2.037 -29.859 209 HG CYS 25 HG CYS 25 -7.227 -3.180 -31.763 210 H ARG 26 HN ARG 26 -5.786 1.259 -29.452 211 HA ARG 26 HA ARG 26 -3.332 2.404 -30.558 212 HB2 ARG 26 HB2 ARG 26 -5.509 3.315 -31.686 213 HB3 ARG 26 HB1 ARG 26 -5.722 4.196 -30.179 214 HG2 ARG 26 HG2 ARG 26 -4.644 5.620 -31.788 215 HG3 ARG 26 HG1 ARG 26 -3.490 5.226 -30.511 216 HD2 ARG 26 HD2 ARG 26 -2.477 3.520 -31.920 217 HD3 ARG 26 HD1 ARG 26 -3.666 3.828 -33.183 218 HE ARG 26 HE ARG 26 -2.458 6.249 -32.787 219 HH11 ARG 26 HH11 ARG 26 -1.379 3.023 -33.590 220 HH12 ARG 26 HH12 ARG 26 0.013 3.564 -34.479 221 HH21 ARG 26 HH21 ARG 26 -0.656 6.981 -33.984 222 HH22 ARG 26 HH22 ARG 26 0.412 5.828 -34.724 223 H LYS 27 HN LYS 27 -2.148 3.554 -29.105 224 HA LYS 27 HA LYS 27 -1.329 4.214 -27.101 225 HB2 LYS 27 HB2 LYS 27 -4.188 5.114 -26.667 226 HB3 LYS 27 HB1 LYS 27 -2.813 5.603 -25.686 227 HG2 LYS 27 HG2 LYS 27 -1.810 6.467 -27.902 228 HG3 LYS 27 HG1 LYS 27 -3.458 6.337 -28.523 229 HD2 LYS 27 HD2 LYS 27 -2.557 7.964 -26.136 230 HD3 LYS 27 HD1 LYS 27 -3.015 8.597 -27.716 231 HE2 LYS 27 HE2 LYS 27 -4.877 7.032 -25.925 232 HE3 LYS 27 HE1 LYS 27 -4.782 8.791 -25.947 233 HZ1 LYS 27 HZ1 LYS 27 -6.576 7.958 -27.331 234 HZ2 LYS 27 HZ2 LYS 27 -5.480 7.089 -28.277 235 HZ3 LYS 27 HZ3 LYS 27 -5.427 8.779 -28.255 236 H GLY 28 HN GLY 28 -2.247 1.485 -27.262 237 HA2 GLY 28 HA2 GLY 28 -2.123 -0.288 -25.787 238 HA3 GLY 28 HA1 GLY 28 -2.031 0.863 -24.464 239 H TYR 29 HN TYR 29 -4.689 1.398 -26.507 240 HA TYR 29 HA TYR 29 -6.463 -0.251 -24.831 241 HB2 TYR 29 HB2 TYR 29 -6.845 2.001 -24.156 242 HB3 TYR 29 HB1 TYR 29 -6.763 2.597 -25.807 243 HD1 TYR 29 HD1 TYR 29 -8.648 2.566 -27.225 244 HD2 TYR 29 HD2 TYR 29 -8.885 0.820 -23.357 245 HE1 TYR 29 HE1 TYR 29 -11.105 2.497 -27.415 246 HE2 TYR 29 HE2 TYR 29 -11.338 0.737 -23.532 247 HH TYR 29 HH TYR 29 -13.138 1.789 -24.739 248 H CYS 30 HN CYS 30 -7.797 -1.571 -25.983 249 HA CYS 30 HA CYS 30 -7.593 -1.379 -28.922 250 HB2 CYS 30 HB2 CYS 30 -7.672 -3.939 -28.805 251 HB3 CYS 30 HB1 CYS 30 -6.182 -3.158 -28.280 252 HG CYS 30 HG CYS 30 -8.601 -4.090 -26.065 253 H VAL 31 HN VAL 31 -9.398 -1.472 -30.063 254 HA VAL 31 HA VAL 31 -11.766 -2.817 -28.956 255 HB VAL 31 HB VAL 31 -13.199 -1.105 -30.156 256 HG11 VAL 31 HG11 VAL 31 -11.534 -0.115 -27.837 257 HG12 VAL 31 HG12 VAL 31 -12.986 -1.111 -27.732 258 HG13 VAL 31 HG13 VAL 31 -13.094 0.541 -28.342 259 HG21 VAL 31 HG21 VAL 31 -12.200 1.124 -30.559 260 HG22 VAL 31 HG22 VAL 31 -11.530 -0.117 -31.615 261 HG23 VAL 31 HG23 VAL 31 -10.604 0.450 -30.223 262 H ARG 32 HN ARG 32 -12.305 -4.445 -30.229 263 HA ARG 32 HA ARG 32 -11.511 -4.395 -33.055 264 HB2 ARG 32 HB2 ARG 32 -11.994 -6.875 -32.966 265 HB3 ARG 32 HB1 ARG 32 -10.652 -6.335 -31.972 266 HG2 ARG 32 HG2 ARG 32 -12.036 -6.464 -29.976 267 HG3 ARG 32 HG1 ARG 32 -13.432 -6.927 -30.950 268 HD2 ARG 32 HD2 ARG 32 -12.397 -9.000 -31.575 269 HD3 ARG 32 HD1 ARG 32 -10.866 -8.513 -30.848 270 HE ARG 32 HE ARG 32 -12.386 -8.464 -28.707 271 HH11 ARG 32 HH11 ARG 32 -12.407 -10.831 -31.281 272 HH12 ARG 32 HH12 ARG 32 -12.868 -12.144 -30.250 273 HH21 ARG 32 HH21 ARG 32 -12.969 -10.199 -27.332 274 HH22 ARG 32 HH22 ARG 32 -13.179 -11.785 -28.002 275 H ARG 33 HN ARG 33 -12.998 -3.909 -34.507 276 HA ARG 33 HA ARG 33 -15.817 -3.906 -33.780 277 HB2 ARG 33 HB2 ARG 33 -14.572 -3.110 -36.425 278 HB3 ARG 33 HB1 ARG 33 -16.178 -2.700 -35.840 279 HG2 ARG 33 HG2 ARG 33 -13.545 -1.697 -34.771 280 HG3 ARG 33 HG1 ARG 33 -14.748 -0.777 -35.676 281 HD2 ARG 33 HD2 ARG 33 -15.167 -2.000 -32.948 282 HD3 ARG 33 HD1 ARG 33 -14.806 -0.306 -33.260 283 HE ARG 33 HE ARG 33 -17.230 -1.521 -34.406 284 HH11 ARG 33 HH11 ARG 33 -15.694 0.885 -32.382 285 HH12 ARG 33 HH12 ARG 33 -17.185 1.670 -31.965 286 HH21 ARG 33 HH21 ARG 33 -19.204 -0.467 -33.865 287 HH22 ARG 33 HH22 ARG 33 -19.172 0.899 -32.795 288 H ARG 34 HN ARG 34 -17.365 -5.207 -34.709 289 HA ARG 34 HA ARG 34 -16.333 -7.726 -35.714 290 HB2 ARG 34 HB2 ARG 34 -19.068 -6.843 -34.796 291 HB3 ARG 34 HB1 ARG 34 -18.770 -8.429 -35.496 292 HG2 ARG 34 HG2 ARG 34 -17.157 -8.907 -33.705 293 HG3 ARG 34 HG1 ARG 34 -17.494 -7.329 -32.992 294 HD2 ARG 34 HD2 ARG 34 -19.604 -9.436 -33.460 295 HD3 ARG 34 HD1 ARG 34 -18.707 -9.277 -31.951 296 HE ARG 34 HE ARG 34 -19.695 -6.802 -32.282 297 HH11 ARG 34 HH11 ARG 34 -21.246 -9.936 -32.534 298 HH12 ARG 34 HH12 ARG 34 -22.743 -9.391 -31.849 299 HH21 ARG 34 HH21 ARG 34 -21.684 -6.082 -31.396 300 HH22 ARG 34 HH22 ARG 34 -22.988 -7.207 -31.194 301 H ILE 35 HN ILE 35 -17.212 -8.819 -37.507 302 HA ILE 35 HA ILE 35 -18.547 -7.155 -39.550 303 HB ILE 35 HB ILE 35 -16.616 -9.456 -40.029 304 HG12 ILE 35 HG12 ILE 35 -16.293 -6.483 -40.557 305 HG13 ILE 35 HG11 ILE 35 -15.477 -7.393 -39.291 306 HG21 ILE 35 HG21 ILE 35 -16.851 -8.919 -42.404 307 HG22 ILE 35 HG22 ILE 35 -18.033 -7.670 -42.015 308 HG23 ILE 35 HG23 ILE 35 -18.403 -9.365 -41.700 309 HD11 ILE 35 HD11 ILE 35 -15.127 -7.775 -42.257 310 HD12 ILE 35 HD12 ILE 35 -14.327 -8.719 -40.999 311 HD13 ILE 35 HD13 ILE 35 -13.993 -6.995 -41.154 312 H ARG 36 HN ARG 36 -17.981 -10.443 -38.352 313 HA ARG 36 HA ARG 36 -20.881 -10.931 -38.532 314 HB2 ARG 36 HB2 ARG 36 -19.734 -12.371 -40.174 315 HB3 ARG 36 HB1 ARG 36 -18.678 -12.988 -38.905 316 HG2 ARG 36 HG2 ARG 36 -20.760 -13.808 -37.728 317 HG3 ARG 36 HG1 ARG 36 -21.648 -13.407 -39.198 318 HD2 ARG 36 HD2 ARG 36 -20.245 -14.965 -40.467 319 HD3 ARG 36 HD1 ARG 36 -19.340 -15.350 -39.001 320 HE ARG 36 HE ARG 36 -22.225 -15.789 -38.956 321 HH11 ARG 36 HH11 ARG 36 -19.020 -17.192 -39.172 322 HH12 ARG 36 HH12 ARG 36 -19.569 -18.793 -38.813 323 HH21 ARG 36 HH21 ARG 36 -22.937 -17.880 -38.484 324 HH22 ARG 36 HH22 ARG 36 -21.803 -19.197 -38.439 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -14.055 -5.978 -4.383 2 H2 ALA 1 HT2 ALA 1 -12.750 -5.332 -3.521 3 H3 ALA 1 HT3 ALA 1 -12.482 -6.168 -4.962 4 HA ALA 1 HA ALA 1 -13.990 -3.633 -4.735 5 HB1 ALA 1 HB1 ALA 1 -11.192 -4.089 -5.786 6 HB2 ALA 1 HB2 ALA 1 -11.595 -3.327 -4.248 7 HB3 ALA 1 HB3 ALA 1 -12.058 -2.553 -5.764 8 H PHE 2 HN PHE 2 -14.422 -2.675 -6.841 9 HA PHE 2 HA PHE 2 -15.193 -4.720 -8.772 10 HB2 PHE 2 HB2 PHE 2 -15.800 -1.745 -8.671 11 HB3 PHE 2 HB1 PHE 2 -16.482 -2.885 -9.826 12 HD1 PHE 2 HD1 PHE 2 -18.165 -4.519 -9.122 13 HD2 PHE 2 HD2 PHE 2 -16.580 -1.664 -6.383 14 HE1 PHE 2 HE1 PHE 2 -20.015 -4.981 -7.570 15 HE2 PHE 2 HE2 PHE 2 -18.428 -2.129 -4.829 16 HZ PHE 2 HZ PHE 2 -20.145 -3.790 -5.419 17 H ILE 3 HN ILE 3 -12.655 -4.798 -8.893 18 HA ILE 3 HA ILE 3 -11.291 -2.698 -10.190 19 HB ILE 3 HB ILE 3 -9.472 -4.448 -10.574 20 HG12 ILE 3 HG12 ILE 3 -9.744 -6.486 -9.037 21 HG13 ILE 3 HG11 ILE 3 -11.459 -6.142 -9.038 22 HG21 ILE 3 HG21 ILE 3 -8.827 -4.461 -8.213 23 HG22 ILE 3 HG22 ILE 3 -10.463 -3.978 -7.762 24 HG23 ILE 3 HG23 ILE 3 -9.452 -2.889 -8.711 25 HD11 ILE 3 HD11 ILE 3 -9.788 -6.793 -11.456 26 HD12 ILE 3 HD12 ILE 3 -11.526 -6.477 -11.455 27 HD13 ILE 3 HD13 ILE 3 -10.885 -7.890 -10.619 28 H GLN 4 HN GLN 4 -10.081 -3.009 -12.275 29 HA GLN 4 HA GLN 4 -12.015 -3.224 -14.343 30 HB2 GLN 4 HB2 GLN 4 -10.179 -1.612 -14.425 31 HB3 GLN 4 HB1 GLN 4 -9.007 -2.921 -14.474 32 HG2 GLN 4 HG2 GLN 4 -9.865 -3.619 -16.653 33 HG3 GLN 4 HG1 GLN 4 -11.064 -2.326 -16.599 34 HE21 GLN 4 HE21 GLN 4 -10.267 -1.389 -18.477 35 HE22 GLN 4 HE22 GLN 4 -8.768 -0.530 -18.516 36 H LEU 5 HN LEU 5 -12.806 -5.212 -14.743 37 HA LEU 5 HA LEU 5 -11.014 -7.474 -15.192 38 HB2 LEU 5 HB2 LEU 5 -14.021 -7.218 -15.129 39 HB3 LEU 5 HB1 LEU 5 -13.216 -8.689 -15.644 40 HG LEU 5 HG LEU 5 -12.952 -7.421 -12.910 41 HD11 LEU 5 HD11 LEU 5 -14.241 -9.335 -12.114 42 HD12 LEU 5 HD12 LEU 5 -14.433 -9.910 -13.769 43 HD13 LEU 5 HD13 LEU 5 -15.173 -8.387 -13.275 44 HD21 LEU 5 HD21 LEU 5 -11.789 -9.514 -12.318 45 HD22 LEU 5 HD22 LEU 5 -10.920 -8.588 -13.543 46 HD23 LEU 5 HD23 LEU 5 -11.851 -10.012 -14.012 47 H SER 6 HN SER 6 -12.548 -4.997 -16.944 48 HA SER 6 HA SER 6 -12.680 -6.402 -19.465 49 HB2 SER 6 HB2 SER 6 -12.791 -3.415 -18.995 50 HB3 SER 6 HB1 SER 6 -13.381 -4.294 -20.403 51 HG SER 6 HG SER 6 -14.381 -4.521 -17.751 52 H LYS 7 HN LYS 7 -11.113 -6.495 -20.983 53 HA LYS 7 HA LYS 7 -8.514 -5.289 -20.272 54 HB2 LYS 7 HB2 LYS 7 -9.049 -7.949 -21.619 55 HB3 LYS 7 HB1 LYS 7 -7.462 -7.294 -21.236 56 HG2 LYS 7 HG2 LYS 7 -7.957 -7.430 -18.853 57 HG3 LYS 7 HG1 LYS 7 -9.579 -8.027 -19.209 58 HD2 LYS 7 HD2 LYS 7 -6.992 -9.415 -19.943 59 HD3 LYS 7 HD1 LYS 7 -8.041 -9.849 -18.591 60 HE2 LYS 7 HE2 LYS 7 -9.856 -10.347 -20.168 61 HE3 LYS 7 HE1 LYS 7 -8.807 -9.907 -21.516 62 HZ1 LYS 7 HZ1 LYS 7 -7.320 -11.717 -20.893 63 HZ2 LYS 7 HZ2 LYS 7 -8.877 -12.290 -21.217 64 HZ3 LYS 7 HZ3 LYS 7 -8.351 -12.145 -19.618 65 HA PRO 8 HA PRO 8 -8.338 -3.808 -24.517 66 HB2 PRO 8 HB2 PRO 8 -5.732 -3.175 -24.648 67 HB3 PRO 8 HB1 PRO 8 -6.841 -2.248 -23.628 68 HG2 PRO 8 HG2 PRO 8 -4.909 -4.411 -22.847 69 HG3 PRO 8 HG1 PRO 8 -5.240 -2.865 -22.043 70 HD2 PRO 8 HD2 PRO 8 -6.325 -5.260 -21.254 71 HD3 PRO 8 HD1 PRO 8 -7.085 -3.684 -20.957 72 H CYS 9 HN CYS 9 -6.071 -4.183 -26.159 73 HA CYS 9 HA CYS 9 -5.708 -7.099 -26.298 74 HB2 CYS 9 HB2 CYS 9 -6.454 -5.377 -28.677 75 HB3 CYS 9 HB1 CYS 9 -6.178 -7.116 -28.688 76 HG CYS 9 HG CYS 9 -8.495 -6.492 -26.478 77 H ILE 10 HN ILE 10 -4.184 -7.401 -28.422 78 HA ILE 10 HA ILE 10 -1.651 -6.481 -27.776 79 HB ILE 10 HB ILE 10 -0.901 -7.246 -29.970 80 HG12 ILE 10 HG12 ILE 10 -2.897 -6.373 -31.267 81 HG13 ILE 10 HG11 ILE 10 -2.350 -7.979 -31.722 82 HG21 ILE 10 HG21 ILE 10 -2.919 -9.065 -28.664 83 HG22 ILE 10 HG22 ILE 10 -1.208 -8.908 -28.266 84 HG23 ILE 10 HG23 ILE 10 -1.693 -9.587 -29.820 85 HD11 ILE 10 HD11 ILE 10 -4.722 -7.359 -29.975 86 HD12 ILE 10 HD12 ILE 10 -4.188 -8.968 -30.459 87 HD13 ILE 10 HD13 ILE 10 -4.775 -7.830 -31.672 88 H SER 11 HN SER 11 -0.206 -5.075 -29.024 89 HA SER 11 HA SER 11 -1.369 -2.475 -29.046 90 HB2 SER 11 HB2 SER 11 0.966 -1.723 -29.518 91 HB3 SER 11 HB1 SER 11 0.839 -2.790 -28.123 92 HG SER 11 HG SER 11 1.655 -4.468 -29.338 93 H ASP 12 HN ASP 12 -0.551 -0.888 -30.784 94 HA ASP 12 HA ASP 12 -2.060 -1.159 -33.061 95 HB2 ASP 12 HB2 ASP 12 0.487 0.474 -32.771 96 HB3 ASP 12 HB1 ASP 12 -0.767 0.736 -33.976 97 H LYS 13 HN LYS 13 1.423 -1.683 -32.724 98 HA LYS 13 HA LYS 13 1.987 -2.304 -35.397 99 HB2 LYS 13 HB2 LYS 13 3.706 -1.693 -33.751 100 HB3 LYS 13 HB1 LYS 13 3.405 -3.179 -32.866 101 HG2 LYS 13 HG2 LYS 13 5.428 -3.393 -34.153 102 HG3 LYS 13 HG1 LYS 13 4.198 -4.478 -34.807 103 HD2 LYS 13 HD2 LYS 13 3.761 -2.964 -36.637 104 HD3 LYS 13 HD1 LYS 13 4.832 -1.745 -35.936 105 HE2 LYS 13 HE2 LYS 13 5.700 -4.483 -36.881 106 HE3 LYS 13 HE1 LYS 13 5.887 -2.988 -37.799 107 HZ1 LYS 13 HZ1 LYS 13 7.354 -2.131 -36.140 108 HZ2 LYS 13 HZ2 LYS 13 7.908 -3.666 -36.572 109 HZ3 LYS 13 HZ3 LYS 13 7.079 -3.448 -35.117 110 H GLU 14 HN GLU 14 0.506 -4.184 -32.912 111 HA GLU 14 HA GLU 14 1.183 -6.725 -34.201 112 HB2 GLU 14 HB2 GLU 14 -0.313 -6.201 -31.621 113 HB3 GLU 14 HB1 GLU 14 0.247 -7.768 -32.198 114 HG2 GLU 14 HG2 GLU 14 2.572 -6.967 -32.052 115 HG3 GLU 14 HG1 GLU 14 1.990 -5.429 -31.420 116 H CYS 15 HN CYS 15 -1.519 -4.567 -33.684 117 HA CYS 15 HA CYS 15 -3.461 -6.441 -34.724 118 HB2 CYS 15 HB2 CYS 15 -3.702 -3.494 -34.087 119 HB3 CYS 15 HB1 CYS 15 -5.038 -4.509 -34.623 120 HG CYS 15 HG CYS 15 -3.491 -4.426 -31.613 121 H SER 16 HN SER 16 -2.331 -6.884 -36.707 122 HA SER 16 HA SER 16 -2.409 -4.775 -38.734 123 HB2 SER 16 HB2 SER 16 -0.376 -6.113 -38.672 124 HB3 SER 16 HB1 SER 16 -1.311 -7.601 -38.825 125 HG SER 16 HG SER 16 -0.679 -5.674 -40.748 126 H ILE 17 HN ILE 17 -3.240 -5.439 -40.922 127 HA ILE 17 HA ILE 17 -5.990 -6.222 -40.604 128 HB ILE 17 HB ILE 17 -6.210 -5.695 -43.008 129 HG12 ILE 17 HG12 ILE 17 -3.239 -5.083 -42.874 130 HG13 ILE 17 HG11 ILE 17 -3.942 -6.475 -43.690 131 HG21 ILE 17 HG21 ILE 17 -4.695 -3.601 -41.443 132 HG22 ILE 17 HG22 ILE 17 -6.429 -3.915 -41.340 133 HG23 ILE 17 HG23 ILE 17 -5.732 -3.298 -42.840 134 HD11 ILE 17 HD11 ILE 17 -5.101 -4.983 -45.234 135 HD12 ILE 17 HD12 ILE 17 -3.358 -4.727 -45.262 136 HD13 ILE 17 HD13 ILE 17 -4.400 -3.588 -44.411 137 H VAL 18 HN VAL 18 -3.309 -8.050 -40.869 138 HA VAL 18 HA VAL 18 -3.587 -9.878 -42.887 139 HB VAL 18 HB VAL 18 -2.813 -10.524 -40.029 140 HG11 VAL 18 HG11 VAL 18 -1.530 -12.383 -41.011 141 HG12 VAL 18 HG12 VAL 18 -2.204 -11.998 -42.597 142 HG13 VAL 18 HG13 VAL 18 -3.264 -12.551 -41.299 143 HG21 VAL 18 HG21 VAL 18 -1.482 -8.696 -40.926 144 HG22 VAL 18 HG22 VAL 18 -1.104 -9.648 -42.364 145 HG23 VAL 18 HG23 VAL 18 -0.503 -10.157 -40.782 146 H LYS 19 HN LYS 19 -5.433 -9.712 -39.906 147 HA LYS 19 HA LYS 19 -7.501 -11.339 -41.139 148 HB2 LYS 19 HB2 LYS 19 -7.785 -12.800 -39.194 149 HB3 LYS 19 HB1 LYS 19 -6.198 -13.013 -39.914 150 HG2 LYS 19 HG2 LYS 19 -6.711 -11.305 -37.482 151 HG3 LYS 19 HG1 LYS 19 -6.271 -13.010 -37.404 152 HD2 LYS 19 HD2 LYS 19 -4.211 -12.382 -38.773 153 HD3 LYS 19 HD1 LYS 19 -4.630 -10.700 -38.438 154 HE2 LYS 19 HE2 LYS 19 -2.976 -11.505 -36.840 155 HE3 LYS 19 HE1 LYS 19 -4.499 -11.157 -36.023 156 HZ1 LYS 19 HZ1 LYS 19 -3.673 -13.872 -36.898 157 HZ2 LYS 19 HZ2 LYS 19 -4.999 -13.473 -35.923 158 HZ3 LYS 19 HZ3 LYS 19 -3.425 -13.269 -35.339 159 H ASN 20 HN ASN 20 -6.726 -8.576 -39.835 160 HA ASN 20 HA ASN 20 -9.225 -8.258 -38.301 161 HB2 ASN 20 HB2 ASN 20 -6.533 -6.947 -37.813 162 HB3 ASN 20 HB1 ASN 20 -8.024 -6.467 -37.011 163 HD21 ASN 20 HD21 ASN 20 -5.466 -7.629 -36.013 164 HD22 ASN 20 HD22 ASN 20 -5.937 -9.002 -35.082 165 H TYR 21 HN TYR 21 -10.064 -7.783 -40.478 166 HA TYR 21 HA TYR 21 -9.255 -5.369 -41.796 167 HB2 TYR 21 HB2 TYR 21 -10.359 -7.279 -42.982 168 HB3 TYR 21 HB1 TYR 21 -11.848 -6.916 -42.117 169 HD1 TYR 21 HD1 TYR 21 -9.409 -5.525 -44.556 170 HD2 TYR 21 HD2 TYR 21 -13.337 -5.237 -42.929 171 HE1 TYR 21 HE1 TYR 21 -10.016 -3.920 -46.317 172 HE2 TYR 21 HE2 TYR 21 -13.948 -3.627 -44.685 173 HH TYR 21 HH TYR 21 -12.793 -2.017 -46.190 174 H ARG 22 HN ARG 22 -11.863 -6.337 -39.617 175 HA ARG 22 HA ARG 22 -12.538 -3.497 -39.186 176 HB2 ARG 22 HB2 ARG 22 -14.106 -6.014 -38.562 177 HB3 ARG 22 HB1 ARG 22 -14.599 -4.398 -38.072 178 HG2 ARG 22 HG2 ARG 22 -14.826 -3.718 -40.377 179 HG3 ARG 22 HG1 ARG 22 -14.202 -5.275 -40.929 180 HD2 ARG 22 HD2 ARG 22 -16.120 -6.420 -39.994 181 HD3 ARG 22 HD1 ARG 22 -16.718 -4.913 -39.298 182 HE ARG 22 HE ARG 22 -16.941 -4.125 -41.665 183 HH11 ARG 22 HH11 ARG 22 -17.005 -7.546 -40.926 184 HH12 ARG 22 HH12 ARG 22 -18.024 -7.942 -42.272 185 HH21 ARG 22 HH21 ARG 22 -18.271 -4.643 -43.425 186 HH22 ARG 22 HH22 ARG 22 -18.740 -6.291 -43.708 187 H ALA 23 HN ALA 23 -10.715 -3.135 -37.874 188 HA ALA 23 HA ALA 23 -11.170 -3.642 -35.091 189 HB1 ALA 23 HB1 ALA 23 -9.053 -4.786 -34.629 190 HB2 ALA 23 HB2 ALA 23 -8.703 -4.853 -36.354 191 HB3 ALA 23 HB3 ALA 23 -10.071 -5.753 -35.701 192 H ARG 24 HN ARG 24 -10.455 -1.918 -33.989 193 HA ARG 24 HA ARG 24 -8.275 -0.319 -35.163 194 HB2 ARG 24 HB2 ARG 24 -10.389 0.895 -35.387 195 HB3 ARG 24 HB1 ARG 24 -10.700 0.703 -33.666 196 HG2 ARG 24 HG2 ARG 24 -8.794 2.109 -33.128 197 HG3 ARG 24 HG1 ARG 24 -8.372 2.233 -34.835 198 HD2 ARG 24 HD2 ARG 24 -10.456 3.404 -35.291 199 HD3 ARG 24 HD1 ARG 24 -10.951 3.214 -33.609 200 HE ARG 24 HE ARG 24 -9.241 4.754 -32.968 201 HH11 ARG 24 HH11 ARG 24 -9.658 4.496 -36.437 202 HH12 ARG 24 HH12 ARG 24 -8.958 6.049 -36.752 203 HH21 ARG 24 HH21 ARG 24 -8.296 6.780 -33.392 204 HH22 ARG 24 HH22 ARG 24 -8.197 7.343 -35.031 205 H CYS 25 HN CYS 25 -6.609 -1.035 -33.963 206 HA CYS 25 HA CYS 25 -6.811 -0.846 -31.031 207 HB2 CYS 25 HB2 CYS 25 -4.630 -2.113 -32.709 208 HB3 CYS 25 HB1 CYS 25 -4.751 -2.159 -30.955 209 HG CYS 25 HG CYS 25 -5.827 -4.475 -31.004 210 H ARG 26 HN ARG 26 -6.161 1.073 -30.269 211 HA ARG 26 HA ARG 26 -3.612 2.131 -31.242 212 HB2 ARG 26 HB2 ARG 26 -6.059 3.856 -30.762 213 HB3 ARG 26 HB1 ARG 26 -4.442 4.452 -31.112 214 HG2 ARG 26 HG2 ARG 26 -4.597 3.100 -33.281 215 HG3 ARG 26 HG1 ARG 26 -6.320 2.971 -32.931 216 HD2 ARG 26 HD2 ARG 26 -5.969 4.823 -34.424 217 HD3 ARG 26 HD1 ARG 26 -6.430 5.456 -32.844 218 HE ARG 26 HE ARG 26 -4.371 6.435 -32.654 219 HH11 ARG 26 HH11 ARG 26 -4.310 4.193 -35.352 220 HH12 ARG 26 HH12 ARG 26 -2.721 4.662 -35.869 221 HH21 ARG 26 HH21 ARG 26 -2.289 7.072 -33.366 222 HH22 ARG 26 HH22 ARG 26 -1.579 6.311 -34.751 223 H LYS 27 HN LYS 27 -2.266 2.639 -29.672 224 HA LYS 27 HA LYS 27 -1.363 2.781 -27.587 225 HB2 LYS 27 HB2 LYS 27 -4.056 3.983 -26.877 226 HB3 LYS 27 HB1 LYS 27 -2.607 4.075 -25.886 227 HG2 LYS 27 HG2 LYS 27 -2.946 5.273 -28.632 228 HG3 LYS 27 HG1 LYS 27 -3.006 6.152 -27.104 229 HD2 LYS 27 HD2 LYS 27 -0.604 4.610 -28.109 230 HD3 LYS 27 HD1 LYS 27 -0.824 6.350 -28.283 231 HE2 LYS 27 HE2 LYS 27 -0.677 4.846 -25.662 232 HE3 LYS 27 HE1 LYS 27 0.617 5.810 -26.372 233 HZ1 LYS 27 HZ1 LYS 27 -0.461 7.143 -24.763 234 HZ2 LYS 27 HZ2 LYS 27 -1.996 6.773 -25.352 235 HZ3 LYS 27 HZ3 LYS 27 -0.948 7.739 -26.269 236 H GLY 28 HN GLY 28 -2.718 0.381 -28.398 237 HA2 GLY 28 HA2 GLY 28 -2.930 -1.693 -27.376 238 HA3 GLY 28 HA1 GLY 28 -2.912 -0.904 -25.806 239 H TYR 29 HN TYR 29 -5.143 0.906 -27.115 240 HA TYR 29 HA TYR 29 -7.289 -0.680 -25.992 241 HB2 TYR 29 HB2 TYR 29 -7.272 2.114 -27.172 242 HB3 TYR 29 HB1 TYR 29 -8.680 1.353 -26.433 243 HD1 TYR 29 HD1 TYR 29 -5.818 3.375 -25.825 244 HD2 TYR 29 HD2 TYR 29 -8.376 0.504 -23.990 245 HE1 TYR 29 HE1 TYR 29 -5.075 4.135 -23.607 246 HE2 TYR 29 HE2 TYR 29 -7.643 1.261 -21.772 247 HH TYR 29 HH TYR 29 -5.596 2.405 -20.805 248 H CYS 30 HN CYS 30 -8.785 -1.792 -27.088 249 HA CYS 30 HA CYS 30 -8.543 -1.824 -30.030 250 HB2 CYS 30 HB2 CYS 30 -9.036 -4.296 -29.796 251 HB3 CYS 30 HB1 CYS 30 -7.477 -3.777 -29.159 252 HG CYS 30 HG CYS 30 -10.189 -4.916 -27.492 253 H VAL 31 HN VAL 31 -10.343 -1.502 -31.126 254 HA VAL 31 HA VAL 31 -12.934 -2.279 -29.929 255 HB VAL 31 HB VAL 31 -12.446 0.157 -31.668 256 HG11 VAL 31 HG11 VAL 31 -14.634 -0.861 -32.060 257 HG12 VAL 31 HG12 VAL 31 -14.797 0.695 -31.249 258 HG13 VAL 31 HG13 VAL 31 -14.984 -0.801 -30.331 259 HG21 VAL 31 HG21 VAL 31 -11.580 0.500 -29.405 260 HG22 VAL 31 HG22 VAL 31 -13.132 0.011 -28.725 261 HG23 VAL 31 HG23 VAL 31 -13.015 1.487 -29.685 262 H ARG 32 HN ARG 32 -13.894 -3.809 -31.134 263 HA ARG 32 HA ARG 32 -13.078 -4.200 -33.918 264 HB2 ARG 32 HB2 ARG 32 -14.950 -5.872 -32.209 265 HB3 ARG 32 HB1 ARG 32 -14.323 -6.310 -33.791 266 HG2 ARG 32 HG2 ARG 32 -12.713 -5.981 -31.262 267 HG3 ARG 32 HG1 ARG 32 -13.151 -7.501 -32.040 268 HD2 ARG 32 HD2 ARG 32 -11.416 -5.347 -33.257 269 HD3 ARG 32 HD1 ARG 32 -10.828 -6.832 -32.513 270 HE ARG 32 HE ARG 32 -12.561 -6.845 -34.908 271 HH11 ARG 32 HH11 ARG 32 -9.705 -7.909 -33.182 272 HH12 ARG 32 HH12 ARG 32 -9.212 -9.026 -34.418 273 HH21 ARG 32 HH21 ARG 32 -11.888 -8.304 -36.566 274 HH22 ARG 32 HH22 ARG 32 -10.435 -9.225 -36.350 275 H ARG 33 HN ARG 33 -14.148 -3.022 -35.381 276 HA ARG 33 HA ARG 33 -16.752 -1.939 -34.750 277 HB2 ARG 33 HB2 ARG 33 -15.019 -0.545 -35.843 278 HB3 ARG 33 HB1 ARG 33 -15.084 -1.595 -37.252 279 HG2 ARG 33 HG2 ARG 33 -16.341 0.447 -37.635 280 HG3 ARG 33 HG1 ARG 33 -17.412 -0.953 -37.641 281 HD2 ARG 33 HD2 ARG 33 -17.009 0.699 -35.156 282 HD3 ARG 33 HD1 ARG 33 -18.175 1.172 -36.391 283 HE ARG 33 HE ARG 33 -19.233 -1.057 -36.005 284 HH11 ARG 33 HH11 ARG 33 -17.305 0.416 -33.474 285 HH12 ARG 33 HH12 ARG 33 -18.129 -0.402 -32.187 286 HH21 ARG 33 HH21 ARG 33 -20.343 -2.102 -34.329 287 HH22 ARG 33 HH22 ARG 33 -19.870 -1.841 -32.677 288 H ARG 34 HN ARG 34 -17.976 -3.873 -34.698 289 HA ARG 34 HA ARG 34 -18.545 -5.034 -37.338 290 HB2 ARG 34 HB2 ARG 34 -19.768 -6.789 -36.153 291 HB3 ARG 34 HB1 ARG 34 -18.122 -6.662 -35.552 292 HG2 ARG 34 HG2 ARG 34 -18.958 -5.394 -33.605 293 HG3 ARG 34 HG1 ARG 34 -20.607 -5.608 -34.201 294 HD2 ARG 34 HD2 ARG 34 -20.242 -8.082 -34.107 295 HD3 ARG 34 HD1 ARG 34 -18.681 -7.773 -33.344 296 HE ARG 34 HE ARG 34 -21.063 -6.658 -32.068 297 HH11 ARG 34 HH11 ARG 34 -18.608 -9.164 -32.096 298 HH12 ARG 34 HH12 ARG 34 -18.878 -9.611 -30.439 299 HH21 ARG 34 HH21 ARG 34 -21.406 -7.266 -29.878 300 HH22 ARG 34 HH22 ARG 34 -20.452 -8.545 -29.192 301 H ILE 35 HN ILE 35 -20.994 -5.510 -37.643 302 HA ILE 35 HA ILE 35 -22.185 -3.016 -37.990 303 HB ILE 35 HB ILE 35 -22.577 -4.899 -39.489 304 HG12 ILE 35 HG12 ILE 35 -25.084 -3.942 -38.115 305 HG13 ILE 35 HG11 ILE 35 -24.216 -3.097 -39.386 306 HG21 ILE 35 HG21 ILE 35 -22.585 -6.713 -37.856 307 HG22 ILE 35 HG22 ILE 35 -24.028 -6.769 -38.867 308 HG23 ILE 35 HG23 ILE 35 -24.129 -6.151 -37.218 309 HD11 ILE 35 HD11 ILE 35 -25.631 -5.739 -39.661 310 HD12 ILE 35 HD12 ILE 35 -24.749 -4.908 -40.942 311 HD13 ILE 35 HD13 ILE 35 -26.199 -4.180 -40.256 312 H ARG 36 HN ARG 36 -22.581 -5.453 -35.482 313 HA ARG 36 HA ARG 36 -24.273 -3.573 -33.985 314 HB2 ARG 36 HB2 ARG 36 -24.843 -6.541 -34.297 315 HB3 ARG 36 HB1 ARG 36 -25.714 -5.446 -33.227 316 HG2 ARG 36 HG2 ARG 36 -26.508 -4.171 -35.137 317 HG3 ARG 36 HG1 ARG 36 -25.577 -5.194 -36.228 318 HD2 ARG 36 HD2 ARG 36 -26.933 -7.138 -35.492 319 HD3 ARG 36 HD1 ARG 36 -27.905 -6.042 -34.504 320 HE ARG 36 HE ARG 36 -27.935 -4.979 -37.047 321 HH11 ARG 36 HH11 ARG 36 -28.975 -7.983 -35.561 322 HH12 ARG 36 HH12 ARG 36 -30.242 -8.251 -36.714 323 HH21 ARG 36 HH21 ARG 36 -29.574 -5.363 -38.579 324 HH22 ARG 36 HH22 ARG 36 -30.564 -6.781 -38.446 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -22.222 6.357 -23.127 2 H2 ALA 1 HT2 ALA 1 -21.352 5.064 -23.778 3 H3 ALA 1 HT3 ALA 1 -20.533 6.406 -23.159 4 HA ALA 1 HA ALA 1 -21.385 5.919 -20.945 5 HB1 ALA 1 HB1 ALA 1 -22.474 3.782 -20.512 6 HB2 ALA 1 HB2 ALA 1 -22.422 3.386 -22.234 7 HB3 ALA 1 HB3 ALA 1 -23.419 4.728 -21.665 8 H PHE 2 HN PHE 2 -20.491 3.910 -19.631 9 HA PHE 2 HA PHE 2 -17.967 3.042 -20.880 10 HB2 PHE 2 HB2 PHE 2 -18.309 3.933 -17.996 11 HB3 PHE 2 HB1 PHE 2 -16.815 3.381 -18.745 12 HD1 PHE 2 HD1 PHE 2 -19.053 6.179 -18.226 13 HD2 PHE 2 HD2 PHE 2 -15.699 4.796 -20.465 14 HE1 PHE 2 HE1 PHE 2 -18.513 8.499 -18.847 15 HE2 PHE 2 HE2 PHE 2 -15.157 7.115 -21.086 16 HZ PHE 2 HZ PHE 2 -16.563 8.967 -20.273 17 H ILE 3 HN ILE 3 -19.195 1.104 -21.336 18 HA ILE 3 HA ILE 3 -19.702 -0.559 -18.983 19 HB ILE 3 HB ILE 3 -21.065 -1.953 -20.538 20 HG12 ILE 3 HG12 ILE 3 -20.673 0.365 -22.450 21 HG13 ILE 3 HG11 ILE 3 -20.007 -1.254 -22.654 22 HG21 ILE 3 HG21 ILE 3 -22.128 -0.335 -19.056 23 HG22 ILE 3 HG22 ILE 3 -23.001 -0.446 -20.585 24 HG23 ILE 3 HG23 ILE 3 -21.935 0.925 -20.278 25 HD11 ILE 3 HD11 ILE 3 -21.955 -0.933 -24.054 26 HD12 ILE 3 HD12 ILE 3 -22.928 -0.525 -22.639 27 HD13 ILE 3 HD13 ILE 3 -22.278 -2.156 -22.825 28 H GLN 4 HN GLN 4 -19.254 -2.907 -19.335 29 HA GLN 4 HA GLN 4 -17.792 -4.601 -19.672 30 HB2 GLN 4 HB2 GLN 4 -17.699 -3.306 -22.397 31 HB3 GLN 4 HB1 GLN 4 -17.070 -4.909 -22.045 32 HG2 GLN 4 HG2 GLN 4 -19.951 -4.084 -21.683 33 HG3 GLN 4 HG1 GLN 4 -19.317 -4.893 -23.112 34 HE21 GLN 4 HE21 GLN 4 -20.699 -6.639 -22.813 35 HE22 GLN 4 HE22 GLN 4 -20.433 -7.825 -21.586 36 H LEU 5 HN LEU 5 -16.599 -2.710 -18.232 37 HA LEU 5 HA LEU 5 -14.236 -1.586 -19.282 38 HB2 LEU 5 HB2 LEU 5 -14.949 -2.316 -16.435 39 HB3 LEU 5 HB1 LEU 5 -13.510 -1.424 -16.881 40 HG LEU 5 HG LEU 5 -15.087 0.164 -16.088 41 HD11 LEU 5 HD11 LEU 5 -13.845 0.899 -18.034 42 HD12 LEU 5 HD12 LEU 5 -15.461 1.609 -18.021 43 HD13 LEU 5 HD13 LEU 5 -15.099 0.261 -19.100 44 HD21 LEU 5 HD21 LEU 5 -17.349 0.404 -16.911 45 HD22 LEU 5 HD22 LEU 5 -17.109 -1.234 -16.303 46 HD23 LEU 5 HD23 LEU 5 -17.114 -0.928 -18.040 47 H SER 6 HN SER 6 -12.803 -2.858 -20.279 48 HA SER 6 HA SER 6 -11.966 -5.374 -18.994 49 HB2 SER 6 HB2 SER 6 -11.596 -4.524 -21.882 50 HB3 SER 6 HB1 SER 6 -11.279 -6.121 -21.202 51 HG SER 6 HG SER 6 -13.840 -4.969 -20.985 52 H LYS 7 HN LYS 7 -9.657 -5.921 -19.194 53 HA LYS 7 HA LYS 7 -7.968 -3.746 -18.414 54 HB2 LYS 7 HB2 LYS 7 -7.496 -6.689 -18.903 55 HB3 LYS 7 HB1 LYS 7 -6.161 -5.596 -18.569 56 HG2 LYS 7 HG2 LYS 7 -6.863 -6.741 -16.549 57 HG3 LYS 7 HG1 LYS 7 -7.164 -5.009 -16.418 58 HD2 LYS 7 HD2 LYS 7 -9.534 -5.386 -16.948 59 HD3 LYS 7 HD1 LYS 7 -9.227 -7.120 -17.079 60 HE2 LYS 7 HE2 LYS 7 -8.590 -7.205 -14.731 61 HE3 LYS 7 HE1 LYS 7 -8.803 -5.458 -14.593 62 HZ1 LYS 7 HZ1 LYS 7 -11.135 -5.719 -15.068 63 HZ2 LYS 7 HZ2 LYS 7 -10.716 -6.692 -13.751 64 HZ3 LYS 7 HZ3 LYS 7 -10.950 -7.387 -15.274 65 HA PRO 8 HA PRO 8 -6.122 -2.252 -22.135 66 HB2 PRO 8 HB2 PRO 8 -3.495 -3.090 -20.963 67 HB3 PRO 8 HB1 PRO 8 -3.967 -1.545 -21.684 68 HG2 PRO 8 HG2 PRO 8 -3.818 -1.781 -19.049 69 HG3 PRO 8 HG1 PRO 8 -5.150 -0.874 -19.789 70 HD2 PRO 8 HD2 PRO 8 -5.159 -3.611 -18.583 71 HD3 PRO 8 HD1 PRO 8 -6.420 -2.361 -18.554 72 H CYS 9 HN CYS 9 -4.643 -2.829 -23.928 73 HA CYS 9 HA CYS 9 -4.326 -5.692 -24.383 74 HB2 CYS 9 HB2 CYS 9 -6.649 -5.164 -25.023 75 HB3 CYS 9 HB1 CYS 9 -6.072 -3.883 -26.081 76 HG CYS 9 HG CYS 9 -6.983 -6.252 -27.460 77 H ILE 10 HN ILE 10 -3.556 -5.811 -26.923 78 HA ILE 10 HA ILE 10 -1.060 -4.387 -26.842 79 HB ILE 10 HB ILE 10 -0.360 -5.657 -28.747 80 HG12 ILE 10 HG12 ILE 10 -2.557 -5.498 -30.003 81 HG13 ILE 10 HG11 ILE 10 -1.747 -7.056 -30.092 82 HG21 ILE 10 HG21 ILE 10 -0.660 -7.950 -27.913 83 HG22 ILE 10 HG22 ILE 10 -1.953 -7.382 -26.852 84 HG23 ILE 10 HG23 ILE 10 -0.302 -6.805 -26.619 85 HD11 ILE 10 HD11 ILE 10 -4.076 -6.386 -28.314 86 HD12 ILE 10 HD12 ILE 10 -3.283 -7.956 -28.433 87 HD13 ILE 10 HD13 ILE 10 -4.145 -7.296 -29.822 88 H SER 11 HN SER 11 -0.228 -3.525 -29.077 89 HA SER 11 HA SER 11 -2.035 -1.328 -29.730 90 HB2 SER 11 HB2 SER 11 0.882 -1.721 -30.441 91 HB3 SER 11 HB1 SER 11 -0.048 -0.232 -30.629 92 HG SER 11 HG SER 11 -0.073 -1.356 -28.090 93 H ASP 12 HN ASP 12 -1.813 -0.520 -32.112 94 HA ASP 12 HA ASP 12 -3.395 -2.256 -33.563 95 HB2 ASP 12 HB2 ASP 12 -3.309 0.192 -33.922 96 HB3 ASP 12 HB1 ASP 12 -1.735 0.006 -34.687 97 H LYS 13 HN LYS 13 0.037 -1.530 -34.154 98 HA LYS 13 HA LYS 13 0.419 -3.178 -36.369 99 HB2 LYS 13 HB2 LYS 13 2.297 -2.303 -34.175 100 HB3 LYS 13 HB1 LYS 13 2.845 -3.322 -35.495 101 HG2 LYS 13 HG2 LYS 13 1.558 -0.626 -35.883 102 HG3 LYS 13 HG1 LYS 13 3.299 -0.882 -35.778 103 HD2 LYS 13 HD2 LYS 13 1.558 -2.284 -37.812 104 HD3 LYS 13 HD1 LYS 13 2.319 -0.725 -38.119 105 HE2 LYS 13 HE2 LYS 13 3.742 -2.383 -39.061 106 HE3 LYS 13 HE1 LYS 13 4.530 -1.806 -37.597 107 HZ1 LYS 13 HZ1 LYS 13 4.664 -4.205 -37.794 108 HZ2 LYS 13 HZ2 LYS 13 2.980 -4.327 -37.840 109 HZ3 LYS 13 HZ3 LYS 13 3.749 -3.778 -36.440 110 H GLU 14 HN GLU 14 0.149 -3.967 -32.996 111 HA GLU 14 HA GLU 14 1.267 -6.632 -33.332 112 HB2 GLU 14 HB2 GLU 14 1.313 -4.953 -31.230 113 HB3 GLU 14 HB1 GLU 14 -0.138 -5.852 -30.816 114 HG2 GLU 14 HG2 GLU 14 1.699 -6.889 -29.716 115 HG3 GLU 14 HG1 GLU 14 1.191 -7.955 -31.026 116 H CYS 15 HN CYS 15 -1.854 -5.070 -32.990 117 HA CYS 15 HA CYS 15 -3.429 -7.409 -32.675 118 HB2 CYS 15 HB2 CYS 15 -4.244 -4.734 -33.855 119 HB3 CYS 15 HB1 CYS 15 -5.331 -5.963 -33.208 120 HG CYS 15 HG CYS 15 -5.295 -5.137 -30.783 121 H SER 16 HN SER 16 -2.000 -5.816 -35.398 122 HA SER 16 HA SER 16 -3.582 -7.184 -37.385 123 HB2 SER 16 HB2 SER 16 -1.003 -5.620 -37.729 124 HB3 SER 16 HB1 SER 16 -2.144 -6.064 -38.998 125 HG SER 16 HG SER 16 -2.657 -4.337 -36.797 126 H ILE 17 HN ILE 17 -3.311 -9.378 -37.151 127 HA ILE 17 HA ILE 17 -0.749 -10.436 -38.031 128 HB ILE 17 HB ILE 17 -0.419 -10.484 -35.645 129 HG12 ILE 17 HG12 ILE 17 -1.164 -13.260 -36.617 130 HG13 ILE 17 HG11 ILE 17 0.372 -12.455 -36.910 131 HG21 ILE 17 HG21 ILE 17 -1.927 -11.615 -34.096 132 HG22 ILE 17 HG22 ILE 17 -3.034 -11.977 -35.419 133 HG23 ILE 17 HG23 ILE 17 -2.755 -10.303 -34.938 134 HD11 ILE 17 HD11 ILE 17 -0.716 -13.286 -34.227 135 HD12 ILE 17 HD12 ILE 17 0.814 -12.452 -34.500 136 HD13 ILE 17 HD13 ILE 17 0.571 -14.084 -35.131 137 H VAL 18 HN VAL 18 -1.077 -11.936 -39.492 138 HA VAL 18 HA VAL 18 -2.202 -12.964 -41.101 139 HB VAL 18 HB VAL 18 -2.820 -15.234 -40.404 140 HG11 VAL 18 HG11 VAL 18 -0.537 -15.866 -39.780 141 HG12 VAL 18 HG12 VAL 18 -0.189 -14.174 -39.422 142 HG13 VAL 18 HG13 VAL 18 -0.565 -14.667 -41.073 143 HG21 VAL 18 HG21 VAL 18 -2.200 -15.906 -38.065 144 HG22 VAL 18 HG22 VAL 18 -3.680 -14.965 -38.192 145 HG23 VAL 18 HG23 VAL 18 -2.191 -14.190 -37.654 146 H LYS 19 HN LYS 19 -4.523 -13.353 -38.452 147 HA LYS 19 HA LYS 19 -6.715 -13.121 -40.349 148 HB2 LYS 19 HB2 LYS 19 -6.645 -13.641 -37.368 149 HB3 LYS 19 HB1 LYS 19 -8.146 -13.318 -38.222 150 HG2 LYS 19 HG2 LYS 19 -7.917 -15.683 -37.975 151 HG3 LYS 19 HG1 LYS 19 -7.677 -15.287 -39.678 152 HD2 LYS 19 HD2 LYS 19 -5.241 -15.430 -39.359 153 HD3 LYS 19 HD1 LYS 19 -5.488 -15.831 -37.658 154 HE2 LYS 19 HE2 LYS 19 -6.409 -17.461 -40.027 155 HE3 LYS 19 HE1 LYS 19 -5.038 -17.835 -38.984 156 HZ1 LYS 19 HZ1 LYS 19 -6.876 -19.144 -38.295 157 HZ2 LYS 19 HZ2 LYS 19 -7.908 -17.808 -38.237 158 HZ3 LYS 19 HZ3 LYS 19 -6.651 -17.952 -37.115 159 H ASN 20 HN ASN 20 -6.573 -11.040 -41.081 160 HA ASN 20 HA ASN 20 -6.271 -8.824 -39.260 161 HB2 ASN 20 HB2 ASN 20 -5.133 -8.827 -41.469 162 HB3 ASN 20 HB1 ASN 20 -6.706 -8.811 -42.259 163 HD21 ASN 20 HD21 ASN 20 -6.310 -6.860 -43.283 164 HD22 ASN 20 HD22 ASN 20 -6.275 -5.352 -42.438 165 H TYR 21 HN TYR 21 -8.263 -9.439 -38.149 166 HA TYR 21 HA TYR 21 -10.821 -8.996 -39.265 167 HB2 TYR 21 HB2 TYR 21 -10.346 -10.113 -37.053 168 HB3 TYR 21 HB1 TYR 21 -10.004 -8.522 -36.388 169 HD1 TYR 21 HD1 TYR 21 -12.689 -10.572 -37.952 170 HD2 TYR 21 HD2 TYR 21 -11.763 -7.151 -35.578 171 HE1 TYR 21 HE1 TYR 21 -15.074 -10.289 -37.425 172 HE2 TYR 21 HE2 TYR 21 -14.147 -6.871 -35.052 173 HH TYR 21 HH TYR 21 -16.448 -9.230 -35.565 174 H ARG 22 HN ARG 22 -12.246 -7.160 -38.654 175 HA ARG 22 HA ARG 22 -10.973 -4.689 -39.419 176 HB2 ARG 22 HB2 ARG 22 -13.132 -5.469 -40.353 177 HB3 ARG 22 HB1 ARG 22 -13.856 -5.316 -38.760 178 HG2 ARG 22 HG2 ARG 22 -13.594 -2.930 -38.796 179 HG3 ARG 22 HG1 ARG 22 -12.656 -3.007 -40.291 180 HD2 ARG 22 HD2 ARG 22 -15.551 -3.828 -39.982 181 HD3 ARG 22 HD1 ARG 22 -14.984 -2.319 -40.700 182 HE ARG 22 HE ARG 22 -13.829 -3.791 -42.382 183 HH11 ARG 22 HH11 ARG 22 -16.769 -4.798 -40.774 184 HH12 ARG 22 HH12 ARG 22 -17.250 -5.884 -42.033 185 HH21 ARG 22 HH21 ARG 22 -14.466 -5.220 -44.069 186 HH22 ARG 22 HH22 ARG 22 -15.933 -6.135 -43.906 187 H ALA 23 HN ALA 23 -9.714 -4.106 -37.641 188 HA ALA 23 HA ALA 23 -11.187 -3.170 -35.277 189 HB1 ALA 23 HB1 ALA 23 -9.597 -4.171 -33.745 190 HB2 ALA 23 HB2 ALA 23 -8.673 -4.851 -35.085 191 HB3 ALA 23 HB3 ALA 23 -10.310 -5.431 -34.754 192 H ARG 24 HN ARG 24 -9.649 -1.934 -33.805 193 HA ARG 24 HA ARG 24 -7.250 -0.862 -35.036 194 HB2 ARG 24 HB2 ARG 24 -8.829 0.793 -35.820 195 HB3 ARG 24 HB1 ARG 24 -9.583 0.906 -34.233 196 HG2 ARG 24 HG2 ARG 24 -7.593 1.927 -33.311 197 HG3 ARG 24 HG1 ARG 24 -6.739 1.716 -34.840 198 HD2 ARG 24 HD2 ARG 24 -9.238 3.378 -34.523 199 HD3 ARG 24 HD1 ARG 24 -7.605 4.034 -34.419 200 HE ARG 24 HE ARG 24 -9.049 3.390 -36.787 201 HH11 ARG 24 HH11 ARG 24 -5.814 3.424 -35.441 202 HH12 ARG 24 HH12 ARG 24 -5.037 3.663 -36.971 203 HH21 ARG 24 HH21 ARG 24 -8.027 3.755 -38.799 204 HH22 ARG 24 HH22 ARG 24 -6.297 3.853 -38.878 205 H CYS 25 HN CYS 25 -5.736 -0.355 -33.508 206 HA CYS 25 HA CYS 25 -6.599 -0.420 -30.693 207 HB2 CYS 25 HB2 CYS 25 -4.078 -1.732 -31.725 208 HB3 CYS 25 HB1 CYS 25 -4.755 -1.840 -30.103 209 HG CYS 25 HG CYS 25 -5.893 -3.317 -32.956 210 H ARG 26 HN ARG 26 -5.718 1.098 -29.403 211 HA ARG 26 HA ARG 26 -3.260 2.443 -30.044 212 HB2 ARG 26 HB2 ARG 26 -4.956 3.562 -31.543 213 HB3 ARG 26 HB1 ARG 26 -5.811 4.082 -30.099 214 HG2 ARG 26 HG2 ARG 26 -3.863 5.377 -29.400 215 HG3 ARG 26 HG1 ARG 26 -2.979 4.833 -30.828 216 HD2 ARG 26 HD2 ARG 26 -4.766 5.889 -32.231 217 HD3 ARG 26 HD1 ARG 26 -5.452 6.563 -30.752 218 HE ARG 26 HE ARG 26 -2.784 7.307 -30.793 219 HH11 ARG 26 HH11 ARG 26 -5.636 7.843 -32.746 220 HH12 ARG 26 HH12 ARG 26 -5.091 9.379 -33.343 221 HH21 ARG 26 HH21 ARG 26 -2.048 9.317 -31.612 222 HH22 ARG 26 HH22 ARG 26 -3.052 10.207 -32.713 223 H LYS 27 HN LYS 27 -2.425 3.517 -28.275 224 HA LYS 27 HA LYS 27 -2.064 3.996 -26.077 225 HB2 LYS 27 HB2 LYS 27 -5.056 4.497 -26.072 226 HB3 LYS 27 HB1 LYS 27 -3.931 5.034 -24.832 227 HG2 LYS 27 HG2 LYS 27 -2.836 6.511 -26.381 228 HG3 LYS 27 HG1 LYS 27 -3.806 5.891 -27.720 229 HD2 LYS 27 HD2 LYS 27 -4.881 7.372 -25.310 230 HD3 LYS 27 HD1 LYS 27 -4.626 8.070 -26.911 231 HE2 LYS 27 HE2 LYS 27 -6.229 6.390 -27.825 232 HE3 LYS 27 HE1 LYS 27 -6.550 5.860 -26.174 233 HZ1 LYS 27 HZ1 LYS 27 -8.219 7.411 -26.908 234 HZ2 LYS 27 HZ2 LYS 27 -7.047 8.579 -27.262 235 HZ3 LYS 27 HZ3 LYS 27 -7.318 8.107 -25.663 236 H GLY 28 HN GLY 28 -2.606 1.263 -26.809 237 HA2 GLY 28 HA2 GLY 28 -2.717 -0.749 -25.704 238 HA3 GLY 28 HA1 GLY 28 -2.905 0.143 -24.205 239 H TYR 29 HN TYR 29 -5.168 0.860 -26.695 240 HA TYR 29 HA TYR 29 -7.168 -0.894 -25.410 241 HB2 TYR 29 HB2 TYR 29 -7.625 1.720 -26.882 242 HB3 TYR 29 HB1 TYR 29 -8.880 0.712 -26.175 243 HD1 TYR 29 HD1 TYR 29 -6.424 3.286 -25.562 244 HD2 TYR 29 HD2 TYR 29 -8.984 0.458 -23.670 245 HE1 TYR 29 HE1 TYR 29 -6.204 4.512 -23.448 246 HE2 TYR 29 HE2 TYR 29 -8.768 1.682 -21.545 247 HH TYR 29 HH TYR 29 -7.309 3.239 -20.452 248 H CYS 30 HN CYS 30 -7.987 -2.458 -26.655 249 HA CYS 30 HA CYS 30 -7.677 -2.288 -29.581 250 HB2 CYS 30 HB2 CYS 30 -8.122 -4.694 -27.783 251 HB3 CYS 30 HB1 CYS 30 -8.084 -4.764 -29.542 252 HG CYS 30 HG CYS 30 -5.344 -3.340 -29.004 253 H VAL 31 HN VAL 31 -9.469 -1.724 -30.663 254 HA VAL 31 HA VAL 31 -12.085 -2.470 -29.519 255 HB VAL 31 HB VAL 31 -11.745 -0.049 -29.318 256 HG11 VAL 31 HG11 VAL 31 -11.443 -0.061 -32.324 257 HG12 VAL 31 HG12 VAL 31 -10.181 0.311 -31.147 258 HG13 VAL 31 HG13 VAL 31 -11.577 1.379 -31.312 259 HG21 VAL 31 HG21 VAL 31 -13.797 0.691 -30.440 260 HG22 VAL 31 HG22 VAL 31 -14.012 -0.892 -29.693 261 HG23 VAL 31 HG23 VAL 31 -13.782 -0.762 -31.438 262 H ARG 32 HN ARG 32 -13.504 -3.444 -30.826 263 HA ARG 32 HA ARG 32 -12.692 -4.224 -33.495 264 HB2 ARG 32 HB2 ARG 32 -15.159 -4.844 -31.847 265 HB3 ARG 32 HB1 ARG 32 -14.864 -5.496 -33.453 266 HG2 ARG 32 HG2 ARG 32 -12.903 -6.675 -32.662 267 HG3 ARG 32 HG1 ARG 32 -13.078 -5.947 -31.063 268 HD2 ARG 32 HD2 ARG 32 -15.141 -7.115 -30.682 269 HD3 ARG 32 HD1 ARG 32 -15.181 -7.692 -32.350 270 HE ARG 32 HE ARG 32 -12.897 -8.771 -31.519 271 HH11 ARG 32 HH11 ARG 32 -15.978 -8.593 -29.849 272 HH12 ARG 32 HH12 ARG 32 -15.781 -10.138 -29.080 273 HH21 ARG 32 HH21 ARG 32 -12.649 -10.787 -30.538 274 HH22 ARG 32 HH22 ARG 32 -13.886 -11.397 -29.482 275 H ARG 33 HN ARG 33 -13.044 -2.874 -35.138 276 HA ARG 33 HA ARG 33 -15.017 -0.779 -34.945 277 HB2 ARG 33 HB2 ARG 33 -13.075 -1.516 -37.147 278 HB3 ARG 33 HB1 ARG 33 -14.169 -0.137 -37.222 279 HG2 ARG 33 HG2 ARG 33 -13.106 0.748 -35.152 280 HG3 ARG 33 HG1 ARG 33 -11.942 -0.575 -35.231 281 HD2 ARG 33 HD2 ARG 33 -12.363 1.448 -37.433 282 HD3 ARG 33 HD1 ARG 33 -11.128 1.590 -36.184 283 HE ARG 33 HE ARG 33 -10.697 -0.873 -37.294 284 HH11 ARG 33 HH11 ARG 33 -10.837 2.409 -38.510 285 HH12 ARG 33 HH12 ARG 33 -9.749 2.101 -39.829 286 HH21 ARG 33 HH21 ARG 33 -9.216 -1.262 -38.997 287 HH22 ARG 33 HH22 ARG 33 -8.808 0.030 -40.088 288 H ARG 34 HN ARG 34 -16.636 -2.606 -34.679 289 HA ARG 34 HA ARG 34 -17.532 -3.772 -37.196 290 HB2 ARG 34 HB2 ARG 34 -17.492 -5.276 -35.306 291 HB3 ARG 34 HB1 ARG 34 -18.429 -4.156 -34.330 292 HG2 ARG 34 HG2 ARG 34 -19.788 -6.030 -35.073 293 HG3 ARG 34 HG1 ARG 34 -20.379 -4.515 -35.752 294 HD2 ARG 34 HD2 ARG 34 -20.427 -6.254 -37.433 295 HD3 ARG 34 HD1 ARG 34 -19.228 -5.035 -37.865 296 HE ARG 34 HE ARG 34 -17.963 -7.104 -36.433 297 HH11 ARG 34 HH11 ARG 34 -19.476 -6.513 -39.541 298 HH12 ARG 34 HH12 ARG 34 -18.540 -7.723 -40.362 299 HH21 ARG 34 HH21 ARG 34 -16.745 -8.692 -37.510 300 HH22 ARG 34 HH22 ARG 34 -16.997 -8.972 -39.207 301 H ILE 35 HN ILE 35 -18.129 -1.753 -38.143 302 HA ILE 35 HA ILE 35 -20.556 -0.482 -37.133 303 HB ILE 35 HB ILE 35 -19.007 0.029 -39.689 304 HG12 ILE 35 HG12 ILE 35 -17.706 0.604 -37.683 305 HG13 ILE 35 HG11 ILE 35 -18.186 2.058 -38.551 306 HG21 ILE 35 HG21 ILE 35 -21.258 1.609 -38.440 307 HG22 ILE 35 HG22 ILE 35 -21.345 0.670 -39.928 308 HG23 ILE 35 HG23 ILE 35 -20.322 2.104 -39.851 309 HD11 ILE 35 HD11 ILE 35 -19.506 0.969 -36.072 310 HD12 ILE 35 HD12 ILE 35 -19.981 2.430 -36.938 311 HD13 ILE 35 HD13 ILE 35 -18.406 2.345 -36.152 312 H ARG 36 HN ARG 36 -19.442 -2.416 -39.858 313 HA ARG 36 HA ARG 36 -22.178 -3.418 -40.238 314 HB2 ARG 36 HB2 ARG 36 -20.184 -2.733 -42.423 315 HB3 ARG 36 HB1 ARG 36 -21.709 -3.568 -42.683 316 HG2 ARG 36 HG2 ARG 36 -22.936 -1.599 -41.917 317 HG3 ARG 36 HG1 ARG 36 -21.415 -0.763 -41.608 318 HD2 ARG 36 HD2 ARG 36 -20.857 -0.898 -43.993 319 HD3 ARG 36 HD1 ARG 36 -22.378 -1.736 -44.305 320 HE ARG 36 HE ARG 36 -23.193 0.543 -43.111 321 HH11 ARG 36 HH11 ARG 36 -21.062 -0.078 -45.817 322 HH12 ARG 36 HH12 ARG 36 -21.417 1.419 -46.613 323 HH21 ARG 36 HH21 ARG 36 -23.682 2.508 -44.167 324 HH22 ARG 36 HH22 ARG 36 -22.910 2.887 -45.675 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -14.529 -4.009 -0.069 2 H2 ALA 1 HT2 ALA 1 -12.960 -3.466 0.244 3 H3 ALA 1 HT3 ALA 1 -13.217 -5.064 -0.227 4 HA ALA 1 HA ALA 1 -14.012 -4.330 -2.378 5 HB1 ALA 1 HB1 ALA 1 -13.767 -1.974 -3.014 6 HB2 ALA 1 HB2 ALA 1 -13.255 -1.585 -1.372 7 HB3 ALA 1 HB3 ALA 1 -14.893 -2.165 -1.669 8 H PHE 2 HN PHE 2 -12.549 -3.885 -4.128 9 HA PHE 2 HA PHE 2 -9.748 -3.436 -3.562 10 HB2 PHE 2 HB2 PHE 2 -10.005 -5.886 -3.210 11 HB3 PHE 2 HB1 PHE 2 -10.673 -6.041 -4.830 12 HD1 PHE 2 HD1 PHE 2 -9.243 -6.009 -6.769 13 HD2 PHE 2 HD2 PHE 2 -7.631 -5.362 -2.878 14 HE1 PHE 2 HE1 PHE 2 -6.970 -6.314 -7.663 15 HE2 PHE 2 HE2 PHE 2 -5.359 -5.666 -3.766 16 HZ PHE 2 HZ PHE 2 -5.027 -6.142 -6.159 17 H ILE 3 HN ILE 3 -9.539 -1.784 -4.944 18 HA ILE 3 HA ILE 3 -10.989 -1.789 -7.469 19 HB ILE 3 HB ILE 3 -11.117 0.251 -6.191 20 HG12 ILE 3 HG12 ILE 3 -9.333 0.628 -8.618 21 HG13 ILE 3 HG11 ILE 3 -11.085 0.456 -8.645 22 HG21 ILE 3 HG21 ILE 3 -9.162 1.635 -5.683 23 HG22 ILE 3 HG22 ILE 3 -8.104 0.394 -6.353 24 HG23 ILE 3 HG23 ILE 3 -9.053 0.055 -4.905 25 HD11 ILE 3 HD11 ILE 3 -9.554 2.721 -7.384 26 HD12 ILE 3 HD12 ILE 3 -11.308 2.545 -7.401 27 HD13 ILE 3 HD13 ILE 3 -10.431 2.769 -8.912 28 H GLN 4 HN GLN 4 -10.107 -2.515 -9.258 29 HA GLN 4 HA GLN 4 -7.223 -2.109 -9.700 30 HB2 GLN 4 HB2 GLN 4 -7.184 -4.215 -10.994 31 HB3 GLN 4 HB1 GLN 4 -7.587 -4.481 -9.304 32 HG2 GLN 4 HG2 GLN 4 -9.957 -4.687 -9.901 33 HG3 GLN 4 HG1 GLN 4 -9.548 -4.426 -11.597 34 HE21 GLN 4 HE21 GLN 4 -9.383 -6.620 -8.913 35 HE22 GLN 4 HE22 GLN 4 -8.947 -8.026 -9.818 36 H LEU 5 HN LEU 5 -6.643 -1.437 -11.745 37 HA LEU 5 HA LEU 5 -8.802 -0.178 -13.243 38 HB2 LEU 5 HB2 LEU 5 -5.801 0.085 -13.529 39 HB3 LEU 5 HB1 LEU 5 -6.996 1.058 -14.369 40 HG LEU 5 HG LEU 5 -6.514 1.032 -11.381 41 HD11 LEU 5 HD11 LEU 5 -4.739 2.150 -12.603 42 HD12 LEU 5 HD12 LEU 5 -5.718 3.325 -11.726 43 HD13 LEU 5 HD13 LEU 5 -5.922 3.132 -13.468 44 HD21 LEU 5 HD21 LEU 5 -8.444 2.693 -13.014 45 HD22 LEU 5 HD22 LEU 5 -8.118 2.881 -11.291 46 HD23 LEU 5 HD23 LEU 5 -8.875 1.407 -11.886 47 H SER 6 HN SER 6 -8.347 -0.058 -15.710 48 HA SER 6 HA SER 6 -8.300 -2.779 -16.716 49 HB2 SER 6 HB2 SER 6 -10.006 -1.132 -17.485 50 HB3 SER 6 HB1 SER 6 -8.718 -0.156 -18.187 51 HG SER 6 HG SER 6 -8.966 -1.353 -19.884 52 H LYS 7 HN LYS 7 -6.874 -3.493 -18.367 53 HA LYS 7 HA LYS 7 -4.231 -2.224 -18.171 54 HB2 LYS 7 HB2 LYS 7 -5.016 -5.060 -18.912 55 HB3 LYS 7 HB1 LYS 7 -3.368 -4.451 -18.945 56 HG2 LYS 7 HG2 LYS 7 -3.579 -5.633 -16.920 57 HG3 LYS 7 HG1 LYS 7 -3.628 -3.925 -16.486 58 HD2 LYS 7 HD2 LYS 7 -6.121 -4.073 -16.413 59 HD3 LYS 7 HD1 LYS 7 -5.987 -5.807 -16.711 60 HE2 LYS 7 HE2 LYS 7 -4.863 -4.308 -14.337 61 HE3 LYS 7 HE1 LYS 7 -6.287 -5.346 -14.332 62 HZ1 LYS 7 HZ1 LYS 7 -4.867 -7.217 -14.930 63 HZ2 LYS 7 HZ2 LYS 7 -4.371 -6.510 -13.474 64 HZ3 LYS 7 HZ3 LYS 7 -3.503 -6.215 -14.892 65 HA PRO 8 HA PRO 8 -4.309 -1.006 -22.443 66 HB2 PRO 8 HB2 PRO 8 -1.638 -1.231 -23.047 67 HB3 PRO 8 HB1 PRO 8 -2.330 0.115 -22.136 68 HG2 PRO 8 HG2 PRO 8 -0.937 -2.336 -21.125 69 HG3 PRO 8 HG1 PRO 8 -0.761 -0.649 -20.603 70 HD2 PRO 8 HD2 PRO 8 -2.239 -2.412 -19.203 71 HD3 PRO 8 HD1 PRO 8 -2.712 -0.705 -19.337 72 H CYS 9 HN CYS 9 -3.293 -1.783 -24.609 73 HA CYS 9 HA CYS 9 -3.634 -4.708 -24.776 74 HB2 CYS 9 HB2 CYS 9 -4.630 -2.683 -26.790 75 HB3 CYS 9 HB1 CYS 9 -4.962 -4.410 -26.762 76 HG CYS 9 HG CYS 9 -6.182 -3.839 -24.037 77 H ILE 10 HN ILE 10 -3.144 -5.189 -27.339 78 HA ILE 10 HA ILE 10 -0.367 -4.730 -27.754 79 HB ILE 10 HB ILE 10 -0.748 -5.808 -29.975 80 HG12 ILE 10 HG12 ILE 10 -3.644 -5.901 -29.064 81 HG13 ILE 10 HG11 ILE 10 -3.018 -4.960 -30.412 82 HG21 ILE 10 HG21 ILE 10 -1.946 -7.235 -27.598 83 HG22 ILE 10 HG22 ILE 10 -0.240 -7.181 -28.042 84 HG23 ILE 10 HG23 ILE 10 -1.396 -8.014 -29.080 85 HD11 ILE 10 HD11 ILE 10 -3.090 -7.965 -30.218 86 HD12 ILE 10 HD12 ILE 10 -2.402 -7.047 -31.555 87 HD13 ILE 10 HD13 ILE 10 -4.129 -6.945 -31.214 88 H SER 11 HN SER 11 0.549 -3.682 -29.670 89 HA SER 11 HA SER 11 -0.720 -1.085 -30.053 90 HB2 SER 11 HB2 SER 11 1.584 -0.551 -31.066 91 HB3 SER 11 HB1 SER 11 1.519 -0.889 -29.336 92 HG SER 11 HG SER 11 2.415 -2.848 -29.658 93 H ASP 12 HN ASP 12 -0.189 -0.049 -32.253 94 HA ASP 12 HA ASP 12 -1.806 -1.110 -34.212 95 HB2 ASP 12 HB2 ASP 12 -0.882 1.265 -34.002 96 HB3 ASP 12 HB1 ASP 12 0.562 0.675 -34.812 97 H LYS 13 HN LYS 13 1.584 -1.690 -33.639 98 HA LYS 13 HA LYS 13 2.476 -2.810 -35.974 99 HB2 LYS 13 HB2 LYS 13 3.948 -2.540 -34.085 100 HB3 LYS 13 HB1 LYS 13 2.999 -3.659 -33.120 101 HG2 LYS 13 HG2 LYS 13 5.035 -4.725 -33.825 102 HG3 LYS 13 HG1 LYS 13 3.669 -5.498 -34.629 103 HD2 LYS 13 HD2 LYS 13 4.138 -4.149 -36.652 104 HD3 LYS 13 HD1 LYS 13 5.539 -3.449 -35.839 105 HE2 LYS 13 HE2 LYS 13 5.128 -6.376 -36.472 106 HE3 LYS 13 HE1 LYS 13 6.199 -5.271 -37.333 107 HZ1 LYS 13 HZ1 LYS 13 6.465 -5.937 -34.450 108 HZ2 LYS 13 HZ2 LYS 13 7.552 -5.041 -35.389 109 HZ3 LYS 13 HZ3 LYS 13 7.342 -6.693 -35.683 110 H GLU 14 HN GLU 14 0.372 -4.268 -33.556 111 HA GLU 14 HA GLU 14 0.194 -6.717 -35.175 112 HB2 GLU 14 HB2 GLU 14 -0.492 -6.145 -32.290 113 HB3 GLU 14 HB1 GLU 14 -0.937 -7.643 -33.097 114 HG2 GLU 14 HG2 GLU 14 1.882 -6.624 -32.766 115 HG3 GLU 14 HG1 GLU 14 1.116 -7.847 -31.752 116 H CYS 15 HN CYS 15 -1.825 -4.322 -33.509 117 HA CYS 15 HA CYS 15 -4.187 -5.334 -34.910 118 HB2 CYS 15 HB2 CYS 15 -5.365 -3.696 -33.327 119 HB3 CYS 15 HB1 CYS 15 -4.598 -5.104 -32.591 120 HG CYS 15 HG CYS 15 -3.152 -2.014 -32.737 121 H SER 16 HN SER 16 -3.679 -4.535 -36.938 122 HA SER 16 HA SER 16 -4.043 -1.635 -37.257 123 HB2 SER 16 HB2 SER 16 -1.653 -2.209 -37.536 124 HB3 SER 16 HB1 SER 16 -2.081 -3.336 -38.818 125 HG SER 16 HG SER 16 -2.116 -0.533 -38.803 126 H ILE 17 HN ILE 17 -4.146 -1.394 -39.913 127 HA ILE 17 HA ILE 17 -6.791 -2.194 -40.458 128 HB ILE 17 HB ILE 17 -5.821 -0.118 -41.315 129 HG12 ILE 17 HG12 ILE 17 -6.697 -1.981 -43.545 130 HG13 ILE 17 HG11 ILE 17 -7.772 -1.088 -42.476 131 HG21 ILE 17 HG21 ILE 17 -3.562 -0.866 -41.780 132 HG22 ILE 17 HG22 ILE 17 -4.267 -0.148 -43.228 133 HG23 ILE 17 HG23 ILE 17 -4.143 -1.901 -43.084 134 HD11 ILE 17 HD11 ILE 17 -7.606 -0.002 -44.627 135 HD12 ILE 17 HD12 ILE 17 -5.853 0.104 -44.469 136 HD13 ILE 17 HD13 ILE 17 -6.893 1.020 -43.377 137 H VAL 18 HN VAL 18 -7.657 -3.612 -41.905 138 HA VAL 18 HA VAL 18 -7.982 -5.398 -43.212 139 HB VAL 18 HB VAL 18 -6.570 -3.901 -44.747 140 HG11 VAL 18 HG11 VAL 18 -4.515 -6.048 -44.227 141 HG12 VAL 18 HG12 VAL 18 -4.368 -4.331 -43.855 142 HG13 VAL 18 HG13 VAL 18 -4.449 -4.862 -45.531 143 HG21 VAL 18 HG21 VAL 18 -8.039 -5.649 -45.565 144 HG22 VAL 18 HG22 VAL 18 -6.782 -6.860 -45.302 145 HG23 VAL 18 HG23 VAL 18 -6.554 -5.601 -46.519 146 H LYS 19 HN LYS 19 -6.053 -5.639 -40.703 147 HA LYS 19 HA LYS 19 -4.900 -8.234 -41.278 148 HB2 LYS 19 HB2 LYS 19 -4.994 -6.610 -38.729 149 HB3 LYS 19 HB1 LYS 19 -4.209 -8.182 -38.871 150 HG2 LYS 19 HG2 LYS 19 -2.778 -7.225 -40.687 151 HG3 LYS 19 HG1 LYS 19 -3.478 -5.645 -40.337 152 HD2 LYS 19 HD2 LYS 19 -2.573 -5.725 -38.074 153 HD3 LYS 19 HD1 LYS 19 -1.943 -7.350 -38.364 154 HE2 LYS 19 HE2 LYS 19 -0.523 -6.446 -40.176 155 HE3 LYS 19 HE1 LYS 19 -1.109 -4.825 -39.805 156 HZ1 LYS 19 HZ1 LYS 19 -0.130 -5.006 -37.614 157 HZ2 LYS 19 HZ2 LYS 19 1.043 -5.282 -38.798 158 HZ3 LYS 19 HZ3 LYS 19 0.389 -6.580 -37.939 159 H ASN 20 HN ASN 20 -5.352 -10.061 -39.729 160 HA ASN 20 HA ASN 20 -7.814 -11.063 -40.329 161 HB2 ASN 20 HB2 ASN 20 -6.097 -11.812 -37.951 162 HB3 ASN 20 HB1 ASN 20 -7.432 -12.779 -38.571 163 HD21 ASN 20 HD21 ASN 20 -6.246 -14.535 -39.140 164 HD22 ASN 20 HD22 ASN 20 -5.079 -14.532 -40.416 165 H TYR 21 HN TYR 21 -6.933 -9.861 -37.083 166 HA TYR 21 HA TYR 21 -9.720 -10.021 -36.298 167 HB2 TYR 21 HB2 TYR 21 -8.768 -9.142 -34.057 168 HB3 TYR 21 HB1 TYR 21 -8.394 -10.782 -34.558 169 HD1 TYR 21 HD1 TYR 21 -7.020 -7.478 -33.833 170 HD2 TYR 21 HD2 TYR 21 -6.126 -11.352 -35.367 171 HE1 TYR 21 HE1 TYR 21 -4.617 -7.047 -33.533 172 HE2 TYR 21 HE2 TYR 21 -3.725 -10.926 -35.071 173 HH TYR 21 HH TYR 21 -2.536 -8.377 -33.220 174 H ARG 22 HN ARG 22 -11.106 -8.426 -36.143 175 HA ARG 22 HA ARG 22 -10.411 -5.884 -37.322 176 HB2 ARG 22 HB2 ARG 22 -12.553 -7.241 -37.730 177 HB3 ARG 22 HB1 ARG 22 -13.081 -6.694 -36.146 178 HG2 ARG 22 HG2 ARG 22 -12.783 -4.331 -36.987 179 HG3 ARG 22 HG1 ARG 22 -12.549 -5.024 -38.594 180 HD2 ARG 22 HD2 ARG 22 -15.015 -5.025 -36.874 181 HD3 ARG 22 HD1 ARG 22 -14.830 -4.486 -38.543 182 HE ARG 22 HE ARG 22 -14.299 -7.259 -38.366 183 HH11 ARG 22 HH11 ARG 22 -16.966 -4.987 -38.370 184 HH12 ARG 22 HH12 ARG 22 -18.144 -6.183 -38.808 185 HH21 ARG 22 HH21 ARG 22 -15.834 -8.820 -38.921 186 HH22 ARG 22 HH22 ARG 22 -17.502 -8.366 -39.114 187 H ALA 23 HN ALA 23 -9.133 -4.788 -35.841 188 HA ALA 23 HA ALA 23 -10.550 -3.650 -33.562 189 HB1 ALA 23 HB1 ALA 23 -9.453 -5.632 -32.626 190 HB2 ALA 23 HB2 ALA 23 -8.745 -4.148 -31.989 191 HB3 ALA 23 HB3 ALA 23 -7.898 -5.065 -33.235 192 H ARG 24 HN ARG 24 -9.781 -1.639 -32.952 193 HA ARG 24 HA ARG 24 -7.504 -0.558 -34.489 194 HB2 ARG 24 HB2 ARG 24 -10.117 0.767 -33.745 195 HB3 ARG 24 HB1 ARG 24 -8.700 1.685 -34.234 196 HG2 ARG 24 HG2 ARG 24 -10.091 -0.400 -35.913 197 HG3 ARG 24 HG1 ARG 24 -10.285 1.346 -36.068 198 HD2 ARG 24 HD2 ARG 24 -7.806 1.492 -36.486 199 HD3 ARG 24 HD1 ARG 24 -7.784 -0.270 -36.557 200 HE ARG 24 HE ARG 24 -9.661 0.283 -38.362 201 HH11 ARG 24 HH11 ARG 24 -6.455 1.630 -37.921 202 HH12 ARG 24 HH12 ARG 24 -6.299 2.101 -39.585 203 HH21 ARG 24 HH21 ARG 24 -9.433 0.900 -40.553 204 HH22 ARG 24 HH22 ARG 24 -7.966 1.677 -41.071 205 H CYS 25 HN CYS 25 -5.872 -0.225 -33.169 206 HA CYS 25 HA CYS 25 -6.380 0.379 -30.337 207 HB2 CYS 25 HB2 CYS 25 -3.826 -0.533 -31.687 208 HB3 CYS 25 HB1 CYS 25 -4.059 -0.313 -29.957 209 HG CYS 25 HG CYS 25 -4.132 -2.976 -30.121 210 H ARG 26 HN ARG 26 -5.436 2.121 -29.334 211 HA ARG 26 HA ARG 26 -3.866 4.016 -30.898 212 HB2 ARG 26 HB2 ARG 26 -6.330 4.567 -31.165 213 HB3 ARG 26 HB1 ARG 26 -6.377 4.876 -29.434 214 HG2 ARG 26 HG2 ARG 26 -4.715 6.656 -29.708 215 HG3 ARG 26 HG1 ARG 26 -4.673 6.344 -31.445 216 HD2 ARG 26 HD2 ARG 26 -7.006 7.350 -29.821 217 HD3 ARG 26 HD1 ARG 26 -6.098 8.236 -31.046 218 HE ARG 26 HE ARG 26 -7.977 6.021 -31.543 219 HH11 ARG 26 HH11 ARG 26 -6.072 8.713 -32.732 220 HH12 ARG 26 HH12 ARG 26 -6.827 8.716 -34.295 221 HH21 ARG 26 HH21 ARG 26 -8.964 6.029 -33.608 222 HH22 ARG 26 HH22 ARG 26 -8.456 7.197 -34.790 223 H LYS 27 HN LYS 27 -2.254 4.765 -29.678 224 HA LYS 27 HA LYS 27 -0.885 5.102 -27.893 225 HB2 LYS 27 HB2 LYS 27 -3.528 6.053 -26.764 226 HB3 LYS 27 HB1 LYS 27 -1.991 6.289 -25.943 227 HG2 LYS 27 HG2 LYS 27 -2.636 7.331 -28.700 228 HG3 LYS 27 HG1 LYS 27 -2.744 8.272 -27.211 229 HD2 LYS 27 HD2 LYS 27 -0.349 7.967 -26.824 230 HD3 LYS 27 HD1 LYS 27 -0.227 6.974 -28.278 231 HE2 LYS 27 HE2 LYS 27 -1.119 9.862 -28.253 232 HE3 LYS 27 HE1 LYS 27 0.532 9.338 -28.576 233 HZ1 LYS 27 HZ1 LYS 27 -0.244 8.136 -30.507 234 HZ2 LYS 27 HZ2 LYS 27 -0.730 9.752 -30.608 235 HZ3 LYS 27 HZ3 LYS 27 -1.848 8.565 -30.179 236 H GLY 28 HN GLY 28 -2.023 2.455 -28.155 237 HA2 GLY 28 HA2 GLY 28 -1.228 0.606 -26.893 238 HA3 GLY 28 HA1 GLY 28 -1.411 1.550 -25.425 239 H TYR 29 HN TYR 29 -4.194 2.395 -26.349 240 HA TYR 29 HA TYR 29 -5.489 0.093 -25.133 241 HB2 TYR 29 HB2 TYR 29 -5.843 2.726 -24.713 242 HB3 TYR 29 HB1 TYR 29 -7.085 2.475 -25.935 243 HD1 TYR 29 HD1 TYR 29 -5.848 1.209 -22.692 244 HD2 TYR 29 HD2 TYR 29 -9.176 1.538 -25.320 245 HE1 TYR 29 HE1 TYR 29 -7.313 0.288 -20.936 246 HE2 TYR 29 HE2 TYR 29 -10.652 0.617 -23.581 247 HH TYR 29 HH TYR 29 -10.464 -0.803 -21.567 248 H CYS 30 HN CYS 30 -7.047 -1.188 -26.091 249 HA CYS 30 HA CYS 30 -7.248 -0.937 -29.018 250 HB2 CYS 30 HB2 CYS 30 -7.751 -3.343 -29.023 251 HB3 CYS 30 HB1 CYS 30 -6.214 -3.019 -28.232 252 HG CYS 30 HG CYS 30 -8.836 -3.153 -26.149 253 H VAL 31 HN VAL 31 -9.128 -0.459 -29.900 254 HA VAL 31 HA VAL 31 -11.624 -0.892 -28.382 255 HB VAL 31 HB VAL 31 -11.119 1.092 -30.623 256 HG11 VAL 31 HG11 VAL 31 -13.322 2.001 -30.050 257 HG12 VAL 31 HG12 VAL 31 -13.537 0.731 -28.845 258 HG13 VAL 31 HG13 VAL 31 -13.434 0.315 -30.556 259 HG21 VAL 31 HG21 VAL 31 -9.923 1.746 -28.592 260 HG22 VAL 31 HG22 VAL 31 -11.407 1.588 -27.653 261 HG23 VAL 31 HG23 VAL 31 -11.281 2.833 -28.895 262 H ARG 32 HN ARG 32 -12.850 -2.501 -29.155 263 HA ARG 32 HA ARG 32 -12.517 -3.301 -31.984 264 HB2 ARG 32 HB2 ARG 32 -13.389 -5.105 -29.714 265 HB3 ARG 32 HB1 ARG 32 -12.987 -5.577 -31.359 266 HG2 ARG 32 HG2 ARG 32 -10.641 -4.913 -30.943 267 HG3 ARG 32 HG1 ARG 32 -11.076 -4.527 -29.276 268 HD2 ARG 32 HD2 ARG 32 -11.167 -7.229 -30.618 269 HD3 ARG 32 HD1 ARG 32 -10.120 -6.722 -29.291 270 HE ARG 32 HE ARG 32 -12.917 -6.508 -28.665 271 HH11 ARG 32 HH11 ARG 32 -10.203 -8.733 -28.764 272 HH12 ARG 32 HH12 ARG 32 -10.888 -9.807 -27.586 273 HH21 ARG 32 HH21 ARG 32 -13.803 -7.905 -27.106 274 HH22 ARG 32 HH22 ARG 32 -12.927 -9.327 -26.630 275 H ARG 33 HN ARG 33 -14.246 -2.716 -33.123 276 HA ARG 33 HA ARG 33 -16.911 -3.045 -31.906 277 HB2 ARG 33 HB2 ARG 33 -16.306 -0.652 -32.253 278 HB3 ARG 33 HB1 ARG 33 -16.108 -0.970 -33.970 279 HG2 ARG 33 HG2 ARG 33 -18.248 0.080 -33.551 280 HG3 ARG 33 HG1 ARG 33 -18.486 -1.569 -34.127 281 HD2 ARG 33 HD2 ARG 33 -20.009 -1.022 -32.284 282 HD3 ARG 33 HD1 ARG 33 -18.911 -2.331 -31.852 283 HE ARG 33 HE ARG 33 -17.579 -0.352 -30.790 284 HH11 ARG 33 HH11 ARG 33 -21.064 -0.743 -30.817 285 HH12 ARG 33 HH12 ARG 33 -21.291 0.089 -29.311 286 HH21 ARG 33 HH21 ARG 33 -17.886 0.732 -28.802 287 HH22 ARG 33 HH22 ARG 33 -19.492 0.926 -28.168 288 H ARG 34 HN ARG 34 -17.095 -5.140 -32.692 289 HA ARG 34 HA ARG 34 -16.781 -5.714 -35.524 290 HB2 ARG 34 HB2 ARG 34 -17.314 -8.002 -34.929 291 HB3 ARG 34 HB1 ARG 34 -16.165 -7.369 -33.756 292 HG2 ARG 34 HG2 ARG 34 -17.891 -7.073 -32.117 293 HG3 ARG 34 HG1 ARG 34 -19.144 -7.458 -33.297 294 HD2 ARG 34 HD2 ARG 34 -18.142 -9.740 -33.508 295 HD3 ARG 34 HD1 ARG 34 -17.055 -9.327 -32.179 296 HE ARG 34 HE ARG 34 -18.894 -9.305 -30.699 297 HH11 ARG 34 HH11 ARG 34 -19.817 -10.227 -33.952 298 HH12 ARG 34 HH12 ARG 34 -21.336 -10.904 -33.458 299 HH21 ARG 34 HH21 ARG 34 -20.899 -10.168 -30.061 300 HH22 ARG 34 HH22 ARG 34 -21.960 -10.856 -31.254 301 H ILE 35 HN ILE 35 -19.098 -4.253 -33.751 302 HA ILE 35 HA ILE 35 -21.445 -5.573 -34.748 303 HB ILE 35 HB ILE 35 -21.245 -2.956 -33.229 304 HG12 ILE 35 HG12 ILE 35 -21.777 -5.762 -32.197 305 HG13 ILE 35 HG11 ILE 35 -20.271 -4.874 -31.988 306 HG21 ILE 35 HG21 ILE 35 -23.366 -3.193 -34.405 307 HG22 ILE 35 HG22 ILE 35 -23.616 -3.389 -32.671 308 HG23 ILE 35 HG23 ILE 35 -23.592 -4.805 -33.723 309 HD11 ILE 35 HD11 ILE 35 -21.611 -4.801 -29.978 310 HD12 ILE 35 HD12 ILE 35 -22.955 -4.096 -30.875 311 HD13 ILE 35 HD13 ILE 35 -21.456 -3.188 -30.676 312 H ARG 36 HN ARG 36 -20.514 -5.231 -36.933 313 HA ARG 36 HA ARG 36 -21.534 -2.730 -38.114 314 HB2 ARG 36 HB2 ARG 36 -19.717 -4.844 -39.314 315 HB3 ARG 36 HB1 ARG 36 -20.295 -3.416 -40.161 316 HG2 ARG 36 HG2 ARG 36 -18.513 -3.444 -37.729 317 HG3 ARG 36 HG1 ARG 36 -18.017 -3.104 -39.390 318 HD2 ARG 36 HD2 ARG 36 -19.941 -1.476 -37.725 319 HD3 ARG 36 HD1 ARG 36 -18.280 -1.038 -38.128 320 HE ARG 36 HE ARG 36 -19.490 -1.411 -40.553 321 HH11 ARG 36 HH11 ARG 36 -20.209 0.577 -37.755 322 HH12 ARG 36 HH12 ARG 36 -20.908 1.858 -38.698 323 HH21 ARG 36 HH21 ARG 36 -20.416 0.269 -41.782 324 HH22 ARG 36 HH22 ARG 36 -21.007 1.696 -40.982 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -11.184 1.062 -0.119 2 H2 ALA 1 HT2 ALA 1 -12.129 2.342 -0.685 3 H3 ALA 1 HT3 ALA 1 -10.493 2.253 -1.100 4 HA ALA 1 HA ALA 1 -12.591 0.333 -1.922 5 HB1 ALA 1 HB1 ALA 1 -11.096 2.397 -3.553 6 HB2 ALA 1 HB2 ALA 1 -12.779 2.517 -3.044 7 HB3 ALA 1 HB3 ALA 1 -12.287 1.247 -4.165 8 H PHE 2 HN PHE 2 -11.672 -0.917 -3.889 9 HA PHE 2 HA PHE 2 -8.921 -1.778 -3.251 10 HB2 PHE 2 HB2 PHE 2 -10.742 -3.483 -2.854 11 HB3 PHE 2 HB1 PHE 2 -11.108 -3.423 -4.574 12 HD1 PHE 2 HD1 PHE 2 -9.876 -4.726 -6.108 13 HD2 PHE 2 HD2 PHE 2 -8.445 -4.243 -2.125 14 HE1 PHE 2 HE1 PHE 2 -8.170 -6.450 -6.516 15 HE2 PHE 2 HE2 PHE 2 -6.735 -5.967 -2.529 16 HZ PHE 2 HZ PHE 2 -6.594 -7.071 -4.725 17 H ILE 3 HN ILE 3 -7.938 -0.311 -4.607 18 HA ILE 3 HA ILE 3 -8.820 -0.277 -7.413 19 HB ILE 3 HB ILE 3 -9.124 1.877 -6.378 20 HG12 ILE 3 HG12 ILE 3 -6.673 1.928 -8.167 21 HG13 ILE 3 HG11 ILE 3 -8.341 1.855 -8.725 22 HG21 ILE 3 HG21 ILE 3 -7.577 1.683 -4.522 23 HG22 ILE 3 HG22 ILE 3 -7.257 3.165 -5.422 24 HG23 ILE 3 HG23 ILE 3 -6.203 1.763 -5.623 25 HD11 ILE 3 HD11 ILE 3 -7.036 4.124 -7.237 26 HD12 ILE 3 HD12 ILE 3 -8.742 4.056 -7.688 27 HD13 ILE 3 HD13 ILE 3 -7.501 4.091 -8.939 28 H GLN 4 HN GLN 4 -7.483 -0.995 -8.917 29 HA GLN 4 HA GLN 4 -4.638 -0.493 -8.705 30 HB2 GLN 4 HB2 GLN 4 -4.049 -2.802 -9.445 31 HB3 GLN 4 HB1 GLN 4 -4.702 -2.726 -7.818 32 HG2 GLN 4 HG2 GLN 4 -6.883 -3.486 -8.677 33 HG3 GLN 4 HG1 GLN 4 -6.189 -3.616 -10.290 34 HE21 GLN 4 HE21 GLN 4 -6.182 -4.917 -7.052 35 HE22 GLN 4 HE22 GLN 4 -5.413 -6.417 -7.439 36 H LEU 5 HN LEU 5 -3.641 -0.287 -10.703 37 HA LEU 5 HA LEU 5 -5.305 0.922 -12.612 38 HB2 LEU 5 HB2 LEU 5 -2.411 0.087 -12.824 39 HB3 LEU 5 HB1 LEU 5 -3.230 1.140 -13.961 40 HG LEU 5 HG LEU 5 -2.739 1.744 -11.036 41 HD11 LEU 5 HD11 LEU 5 -1.479 2.907 -13.521 42 HD12 LEU 5 HD12 LEU 5 -0.693 1.845 -12.352 43 HD13 LEU 5 HD13 LEU 5 -1.207 3.462 -11.872 44 HD21 LEU 5 HD21 LEU 5 -4.834 2.735 -11.808 45 HD22 LEU 5 HD22 LEU 5 -4.002 3.448 -13.190 46 HD23 LEU 5 HD23 LEU 5 -3.608 3.977 -11.555 47 H SER 6 HN SER 6 -6.003 0.350 -14.608 48 HA SER 6 HA SER 6 -6.193 -2.442 -15.250 49 HB2 SER 6 HB2 SER 6 -8.038 -0.810 -15.708 50 HB3 SER 6 HB1 SER 6 -7.017 -0.040 -16.920 51 HG SER 6 HG SER 6 -8.559 -2.233 -17.141 52 H LYS 7 HN LYS 7 -5.468 -3.365 -17.293 53 HA LYS 7 HA LYS 7 -2.727 -2.470 -17.806 54 HB2 LYS 7 HB2 LYS 7 -4.115 -5.126 -18.231 55 HB3 LYS 7 HB1 LYS 7 -2.486 -4.796 -18.808 56 HG2 LYS 7 HG2 LYS 7 -2.340 -5.976 -16.725 57 HG3 LYS 7 HG1 LYS 7 -1.795 -4.319 -16.476 58 HD2 LYS 7 HD2 LYS 7 -4.158 -3.822 -15.649 59 HD3 LYS 7 HD1 LYS 7 -4.415 -5.566 -15.644 60 HE2 LYS 7 HE2 LYS 7 -2.236 -4.139 -14.113 61 HE3 LYS 7 HE1 LYS 7 -3.781 -4.644 -13.431 62 HZ1 LYS 7 HZ1 LYS 7 -1.980 -6.211 -12.981 63 HZ2 LYS 7 HZ2 LYS 7 -1.788 -6.485 -14.638 64 HZ3 LYS 7 HZ3 LYS 7 -3.229 -6.922 -13.868 65 HA PRO 8 HA PRO 8 -3.560 -1.040 -21.878 66 HB2 PRO 8 HB2 PRO 8 -0.897 -1.962 -22.736 67 HB3 PRO 8 HB1 PRO 8 -1.505 -0.314 -22.552 68 HG2 PRO 8 HG2 PRO 8 0.326 -1.356 -20.865 69 HG3 PRO 8 HG1 PRO 8 -0.902 -0.193 -20.326 70 HD2 PRO 8 HD2 PRO 8 -0.865 -3.182 -20.024 71 HD3 PRO 8 HD1 PRO 8 -1.315 -1.934 -18.840 72 H CYS 9 HN CYS 9 -2.783 -1.800 -24.276 73 HA CYS 9 HA CYS 9 -3.812 -4.550 -24.583 74 HB2 CYS 9 HB2 CYS 9 -4.294 -2.154 -26.365 75 HB3 CYS 9 HB1 CYS 9 -4.928 -3.778 -26.618 76 HG CYS 9 HG CYS 9 -5.696 -2.296 -23.683 77 H ILE 10 HN ILE 10 -3.481 -4.980 -27.196 78 HA ILE 10 HA ILE 10 -0.726 -5.501 -27.510 79 HB ILE 10 HB ILE 10 -1.309 -6.231 -29.804 80 HG12 ILE 10 HG12 ILE 10 -4.087 -5.222 -29.101 81 HG13 ILE 10 HG11 ILE 10 -3.013 -4.515 -30.303 82 HG21 ILE 10 HG21 ILE 10 -1.577 -7.779 -27.944 83 HG22 ILE 10 HG22 ILE 10 -2.833 -8.050 -29.151 84 HG23 ILE 10 HG23 ILE 10 -3.215 -7.186 -27.660 85 HD11 ILE 10 HD11 ILE 10 -3.155 -6.559 -31.625 86 HD12 ILE 10 HD12 ILE 10 -4.743 -5.851 -31.342 87 HD13 ILE 10 HD13 ILE 10 -4.229 -7.265 -30.421 88 H SER 11 HN SER 11 0.259 -4.915 -29.817 89 HA SER 11 HA SER 11 0.476 -2.001 -29.782 90 HB2 SER 11 HB2 SER 11 2.558 -2.493 -31.171 91 HB3 SER 11 HB1 SER 11 2.581 -3.078 -29.509 92 HG SER 11 HG SER 11 2.675 -5.051 -30.214 93 H ASP 12 HN ASP 12 0.780 -0.870 -31.810 94 HA ASP 12 HA ASP 12 -1.329 -1.156 -33.595 95 HB2 ASP 12 HB2 ASP 12 -0.162 0.959 -33.319 96 HB3 ASP 12 HB1 ASP 12 1.319 0.265 -33.965 97 H LYS 13 HN LYS 13 1.875 -2.526 -33.674 98 HA LYS 13 HA LYS 13 1.992 -3.320 -36.355 99 HB2 LYS 13 HB2 LYS 13 3.917 -3.410 -34.791 100 HB3 LYS 13 HB1 LYS 13 3.149 -4.741 -33.938 101 HG2 LYS 13 HG2 LYS 13 4.883 -5.566 -35.420 102 HG3 LYS 13 HG1 LYS 13 3.300 -6.126 -35.958 103 HD2 LYS 13 HD2 LYS 13 3.254 -4.324 -37.647 104 HD3 LYS 13 HD1 LYS 13 4.850 -3.797 -37.113 105 HE2 LYS 13 HE2 LYS 13 4.191 -6.499 -38.295 106 HE3 LYS 13 HE1 LYS 13 4.957 -5.165 -39.154 107 HZ1 LYS 13 HZ1 LYS 13 6.080 -6.628 -36.824 108 HZ2 LYS 13 HZ2 LYS 13 6.802 -5.290 -37.563 109 HZ3 LYS 13 HZ3 LYS 13 6.610 -6.727 -38.428 110 H GLU 14 HN GLU 14 0.399 -4.726 -33.571 111 HA GLU 14 HA GLU 14 -0.305 -7.159 -34.986 112 HB2 GLU 14 HB2 GLU 14 -1.262 -6.201 -32.274 113 HB3 GLU 14 HB1 GLU 14 -1.377 -7.834 -32.916 114 HG2 GLU 14 HG2 GLU 14 1.121 -6.359 -32.110 115 HG3 GLU 14 HG1 GLU 14 0.399 -7.758 -31.320 116 H CYS 15 HN CYS 15 -1.952 -4.312 -33.649 117 HA CYS 15 HA CYS 15 -4.454 -5.044 -34.978 118 HB2 CYS 15 HB2 CYS 15 -5.353 -3.044 -33.847 119 HB3 CYS 15 HB1 CYS 15 -4.526 -4.100 -32.705 120 HG CYS 15 HG CYS 15 -2.930 -1.433 -34.092 121 H SER 16 HN SER 16 -2.614 -4.774 -36.873 122 HA SER 16 HA SER 16 -2.437 -2.036 -37.826 123 HB2 SER 16 HB2 SER 16 -0.467 -3.576 -37.874 124 HB3 SER 16 HB1 SER 16 -1.321 -4.583 -39.042 125 HG SER 16 HG SER 16 -0.481 -1.889 -39.366 126 H ILE 17 HN ILE 17 -2.450 -2.313 -40.531 127 HA ILE 17 HA ILE 17 -5.110 -1.986 -41.203 128 HB ILE 17 HB ILE 17 -3.370 -1.046 -42.572 129 HG12 ILE 17 HG12 ILE 17 -4.905 -3.116 -44.171 130 HG13 ILE 17 HG11 ILE 17 -5.532 -1.550 -43.667 131 HG21 ILE 17 HG21 ILE 17 -2.593 -3.866 -43.325 132 HG22 ILE 17 HG22 ILE 17 -1.669 -2.771 -42.296 133 HG23 ILE 17 HG23 ILE 17 -1.912 -2.386 -43.999 134 HD11 ILE 17 HD11 ILE 17 -4.850 -1.530 -45.993 135 HD12 ILE 17 HD12 ILE 17 -3.216 -2.006 -45.535 136 HD13 ILE 17 HD13 ILE 17 -3.850 -0.437 -45.039 137 H VAL 18 HN VAL 18 -6.708 -3.307 -41.468 138 HA VAL 18 HA VAL 18 -7.884 -5.262 -41.379 139 HB VAL 18 HB VAL 18 -8.088 -4.500 -43.632 140 HG11 VAL 18 HG11 VAL 18 -5.754 -4.446 -44.330 141 HG12 VAL 18 HG12 VAL 18 -6.719 -5.368 -45.480 142 HG13 VAL 18 HG13 VAL 18 -5.693 -6.209 -44.319 143 HG21 VAL 18 HG21 VAL 18 -7.827 -7.503 -43.530 144 HG22 VAL 18 HG22 VAL 18 -8.741 -6.585 -44.731 145 HG23 VAL 18 HG23 VAL 18 -9.231 -6.552 -43.039 146 H LYS 19 HN LYS 19 -7.060 -6.499 -39.798 147 HA LYS 19 HA LYS 19 -5.314 -8.733 -40.597 148 HB2 LYS 19 HB2 LYS 19 -6.182 -7.735 -37.870 149 HB3 LYS 19 HB1 LYS 19 -5.305 -9.239 -38.110 150 HG2 LYS 19 HG2 LYS 19 -4.302 -6.488 -38.842 151 HG3 LYS 19 HG1 LYS 19 -3.830 -7.412 -37.416 152 HD2 LYS 19 HD2 LYS 19 -2.966 -9.199 -38.929 153 HD3 LYS 19 HD1 LYS 19 -3.338 -8.164 -40.306 154 HE2 LYS 19 HE2 LYS 19 -1.004 -7.949 -39.800 155 HE3 LYS 19 HE1 LYS 19 -1.807 -6.446 -39.350 156 HZ1 LYS 19 HZ1 LYS 19 -0.230 -7.152 -37.657 157 HZ2 LYS 19 HZ2 LYS 19 -1.037 -8.625 -37.480 158 HZ3 LYS 19 HZ3 LYS 19 -1.807 -7.189 -37.044 159 H ASN 20 HN ASN 20 -6.133 -10.767 -39.038 160 HA ASN 20 HA ASN 20 -8.612 -11.606 -40.181 161 HB2 ASN 20 HB2 ASN 20 -6.939 -12.813 -37.958 162 HB3 ASN 20 HB1 ASN 20 -8.371 -13.580 -38.634 163 HD21 ASN 20 HD21 ASN 20 -7.242 -15.356 -39.366 164 HD22 ASN 20 HD22 ASN 20 -6.143 -15.284 -40.698 165 H TYR 21 HN TYR 21 -7.869 -9.634 -37.599 166 HA TYR 21 HA TYR 21 -10.619 -9.808 -36.588 167 HB2 TYR 21 HB2 TYR 21 -9.721 -9.238 -34.304 168 HB3 TYR 21 HB1 TYR 21 -9.296 -10.849 -34.868 169 HD1 TYR 21 HD1 TYR 21 -8.023 -7.552 -33.936 170 HD2 TYR 21 HD2 TYR 21 -6.973 -11.356 -35.538 171 HE1 TYR 21 HE1 TYR 21 -5.650 -7.072 -33.511 172 HE2 TYR 21 HE2 TYR 21 -4.599 -10.885 -35.116 173 HH TYR 21 HH TYR 21 -3.557 -8.274 -33.186 174 H ARG 22 HN ARG 22 -11.603 -7.848 -36.250 175 HA ARG 22 HA ARG 22 -10.259 -5.530 -37.377 176 HB2 ARG 22 HB2 ARG 22 -12.588 -6.091 -38.023 177 HB3 ARG 22 HB1 ARG 22 -13.095 -5.840 -36.356 178 HG2 ARG 22 HG2 ARG 22 -12.422 -3.482 -36.513 179 HG3 ARG 22 HG1 ARG 22 -11.931 -3.742 -38.189 180 HD2 ARG 22 HD2 ARG 22 -14.723 -4.055 -37.077 181 HD3 ARG 22 HD1 ARG 22 -14.145 -2.727 -38.084 182 HE ARG 22 HE ARG 22 -13.642 -4.903 -39.609 183 HH11 ARG 22 HH11 ARG 22 -16.510 -3.734 -37.989 184 HH12 ARG 22 HH12 ARG 22 -17.606 -4.490 -39.101 185 HH21 ARG 22 HH21 ARG 22 -15.066 -5.863 -41.103 186 HH22 ARG 22 HH22 ARG 22 -16.785 -5.708 -40.884 187 H ALA 23 HN ALA 23 -8.837 -4.692 -35.932 188 HA ALA 23 HA ALA 23 -9.912 -3.592 -33.442 189 HB1 ALA 23 HB1 ALA 23 -8.074 -4.468 -32.106 190 HB2 ALA 23 HB2 ALA 23 -7.427 -5.311 -33.513 191 HB3 ALA 23 HB3 ALA 23 -8.982 -5.793 -32.836 192 H ARG 24 HN ARG 24 -9.027 -1.656 -32.918 193 HA ARG 24 HA ARG 24 -6.548 -0.811 -34.274 194 HB2 ARG 24 HB2 ARG 24 -9.112 0.764 -33.953 195 HB3 ARG 24 HB1 ARG 24 -7.572 1.524 -34.329 196 HG2 ARG 24 HG2 ARG 24 -8.980 -0.545 -36.024 197 HG3 ARG 24 HG1 ARG 24 -8.914 1.193 -36.335 198 HD2 ARG 24 HD2 ARG 24 -6.433 1.022 -36.463 199 HD3 ARG 24 HD1 ARG 24 -6.583 -0.727 -36.297 200 HE ARG 24 HE ARG 24 -8.185 -0.082 -38.424 201 HH11 ARG 24 HH11 ARG 24 -4.794 0.324 -37.636 202 HH12 ARG 24 HH12 ARG 24 -4.275 0.303 -39.289 203 HH21 ARG 24 HH21 ARG 24 -7.509 -0.091 -40.599 204 HH22 ARG 24 HH22 ARG 24 -5.832 0.122 -40.984 205 H CYS 25 HN CYS 25 -5.042 -0.242 -32.872 206 HA CYS 25 HA CYS 25 -5.731 0.150 -30.074 207 HB2 CYS 25 HB2 CYS 25 -2.994 0.101 -31.372 208 HB3 CYS 25 HB1 CYS 25 -3.354 -0.047 -29.651 209 HG CYS 25 HG CYS 25 -4.965 -2.359 -31.369 210 H ARG 26 HN ARG 26 -5.243 1.998 -28.890 211 HA ARG 26 HA ARG 26 -4.344 4.368 -30.358 212 HB2 ARG 26 HB2 ARG 26 -6.810 4.425 -30.367 213 HB3 ARG 26 HB1 ARG 26 -6.822 4.271 -28.617 214 HG2 ARG 26 HG2 ARG 26 -5.669 6.430 -28.422 215 HG3 ARG 26 HG1 ARG 26 -5.673 6.587 -30.177 216 HD2 ARG 26 HD2 ARG 26 -8.106 6.427 -28.396 217 HD3 ARG 26 HD1 ARG 26 -7.478 7.885 -29.167 218 HE ARG 26 HE ARG 26 -8.431 5.580 -30.748 219 HH11 ARG 26 HH11 ARG 26 -8.439 9.009 -30.043 220 HH12 ARG 26 HH12 ARG 26 -9.511 9.402 -31.347 221 HH21 ARG 26 HH21 ARG 26 -9.840 6.093 -32.454 222 HH22 ARG 26 HH22 ARG 26 -10.325 7.739 -32.711 223 H LYS 27 HN LYS 27 -2.437 4.571 -29.300 224 HA LYS 27 HA LYS 27 -0.949 5.091 -27.663 225 HB2 LYS 27 HB2 LYS 27 -3.417 6.330 -26.416 226 HB3 LYS 27 HB1 LYS 27 -1.759 6.673 -25.926 227 HG2 LYS 27 HG2 LYS 27 -2.911 7.196 -28.667 228 HG3 LYS 27 HG1 LYS 27 -2.699 8.410 -27.402 229 HD2 LYS 27 HD2 LYS 27 -0.315 8.184 -27.487 230 HD3 LYS 27 HD1 LYS 27 -0.421 6.770 -28.533 231 HE2 LYS 27 HE2 LYS 27 -1.311 9.554 -29.286 232 HE3 LYS 27 HE1 LYS 27 0.225 8.825 -29.746 233 HZ1 LYS 27 HZ1 LYS 27 -1.341 8.619 -31.530 234 HZ2 LYS 27 HZ2 LYS 27 -2.475 7.870 -30.527 235 HZ3 LYS 27 HZ3 LYS 27 -1.026 7.083 -30.904 236 H GLY 28 HN GLY 28 -1.962 2.503 -27.523 237 HA2 GLY 28 HA2 GLY 28 -1.253 0.849 -25.968 238 HA3 GLY 28 HA1 GLY 28 -1.558 1.976 -24.657 239 H TYR 29 HN TYR 29 -4.205 2.670 -25.940 240 HA TYR 29 HA TYR 29 -5.775 0.596 -24.702 241 HB2 TYR 29 HB2 TYR 29 -6.168 3.228 -24.908 242 HB3 TYR 29 HB1 TYR 29 -6.980 2.761 -26.396 243 HD1 TYR 29 HD1 TYR 29 -6.851 1.873 -22.799 244 HD2 TYR 29 HD2 TYR 29 -9.264 2.243 -26.281 245 HE1 TYR 29 HE1 TYR 29 -8.859 1.356 -21.456 246 HE2 TYR 29 HE2 TYR 29 -11.273 1.724 -24.959 247 HH TYR 29 HH TYR 29 -11.257 1.678 -21.533 248 H CYS 30 HN CYS 30 -7.645 -0.401 -25.954 249 HA CYS 30 HA CYS 30 -7.095 -0.693 -28.823 250 HB2 CYS 30 HB2 CYS 30 -7.614 -3.143 -28.626 251 HB3 CYS 30 HB1 CYS 30 -6.099 -2.656 -27.872 252 HG CYS 30 HG CYS 30 -8.959 -2.989 -26.048 253 H VAL 31 HN VAL 31 -8.833 -0.256 -29.955 254 HA VAL 31 HA VAL 31 -11.495 -0.646 -28.748 255 HB VAL 31 HB VAL 31 -10.735 1.163 -31.060 256 HG11 VAL 31 HG11 VAL 31 -12.994 2.080 -30.818 257 HG12 VAL 31 HG12 VAL 31 -13.335 0.923 -29.533 258 HG13 VAL 31 HG13 VAL 31 -13.048 0.352 -31.177 259 HG21 VAL 31 HG21 VAL 31 -11.343 1.870 -28.182 260 HG22 VAL 31 HG22 VAL 31 -11.109 3.027 -29.493 261 HG23 VAL 31 HG23 VAL 31 -9.774 1.996 -28.982 262 H ARG 32 HN ARG 32 -12.561 -2.349 -29.488 263 HA ARG 32 HA ARG 32 -12.092 -3.258 -32.257 264 HB2 ARG 32 HB2 ARG 32 -12.849 -4.875 -29.802 265 HB3 ARG 32 HB1 ARG 32 -12.845 -5.517 -31.440 266 HG2 ARG 32 HG2 ARG 32 -10.430 -4.986 -31.603 267 HG3 ARG 32 HG1 ARG 32 -10.462 -4.462 -29.918 268 HD2 ARG 32 HD2 ARG 32 -11.265 -7.228 -30.818 269 HD3 ARG 32 HD1 ARG 32 -9.627 -6.805 -30.324 270 HE ARG 32 HE ARG 32 -11.536 -6.069 -28.342 271 HH11 ARG 32 HH11 ARG 32 -9.772 -8.805 -29.648 272 HH12 ARG 32 HH12 ARG 32 -9.821 -9.703 -28.164 273 HH21 ARG 32 HH21 ARG 32 -11.608 -7.254 -26.401 274 HH22 ARG 32 HH22 ARG 32 -10.881 -8.827 -26.319 275 H ARG 33 HN ARG 33 -13.712 -2.660 -33.510 276 HA ARG 33 HA ARG 33 -16.348 -2.226 -32.286 277 HB2 ARG 33 HB2 ARG 33 -15.273 -0.229 -33.207 278 HB3 ARG 33 HB1 ARG 33 -15.129 -1.008 -34.775 279 HG2 ARG 33 HG2 ARG 33 -16.982 0.628 -34.635 280 HG3 ARG 33 HG1 ARG 33 -17.509 -0.997 -35.073 281 HD2 ARG 33 HD2 ARG 33 -18.975 0.161 -33.407 282 HD3 ARG 33 HD1 ARG 33 -18.358 -1.400 -32.880 283 HE ARG 33 HE ARG 33 -16.605 0.020 -31.664 284 HH11 ARG 33 HH11 ARG 33 -19.873 1.128 -32.253 285 HH12 ARG 33 HH12 ARG 33 -19.965 2.023 -30.771 286 HH21 ARG 33 HH21 ARG 33 -16.725 1.197 -29.727 287 HH22 ARG 33 HH22 ARG 33 -18.175 2.073 -29.339 288 H ARG 34 HN ARG 34 -16.965 -4.408 -32.477 289 HA ARG 34 HA ARG 34 -17.623 -5.323 -35.187 290 HB2 ARG 34 HB2 ARG 34 -18.324 -7.422 -34.119 291 HB3 ARG 34 HB1 ARG 34 -16.680 -7.004 -33.666 292 HG2 ARG 34 HG2 ARG 34 -17.434 -6.233 -31.492 293 HG3 ARG 34 HG1 ARG 34 -19.115 -6.522 -31.949 294 HD2 ARG 34 HD2 ARG 34 -18.634 -8.919 -32.192 295 HD3 ARG 34 HD1 ARG 34 -16.957 -8.628 -31.730 296 HE ARG 34 HE ARG 34 -18.105 -7.700 -29.579 297 HH11 ARG 34 HH11 ARG 34 -19.162 -10.456 -31.454 298 HH12 ARG 34 HH12 ARG 34 -19.778 -11.314 -30.076 299 HH21 ARG 34 HH21 ARG 34 -18.942 -8.822 -27.773 300 HH22 ARG 34 HH22 ARG 34 -19.662 -10.391 -27.996 301 H ILE 35 HN ILE 35 -18.840 -3.361 -32.887 302 HA ILE 35 HA ILE 35 -21.621 -4.129 -32.946 303 HB ILE 35 HB ILE 35 -20.465 -1.534 -31.887 304 HG12 ILE 35 HG12 ILE 35 -20.828 -4.148 -30.384 305 HG13 ILE 35 HG11 ILE 35 -19.281 -3.466 -30.871 306 HG21 ILE 35 HG21 ILE 35 -22.895 -1.571 -32.137 307 HG22 ILE 35 HG22 ILE 35 -22.448 -1.564 -30.431 308 HG23 ILE 35 HG23 ILE 35 -22.985 -3.060 -31.197 309 HD11 ILE 35 HD11 ILE 35 -21.228 -2.204 -28.952 310 HD12 ILE 35 HD12 ILE 35 -19.661 -1.547 -29.426 311 HD13 ILE 35 HD13 ILE 35 -19.748 -3.060 -28.521 312 H ARG 36 HN ARG 36 -21.330 -4.004 -35.406 313 HA ARG 36 HA ARG 36 -22.253 -1.347 -36.298 314 HB2 ARG 36 HB2 ARG 36 -20.481 -3.266 -37.850 315 HB3 ARG 36 HB1 ARG 36 -21.168 -1.780 -38.493 316 HG2 ARG 36 HG2 ARG 36 -19.233 -1.938 -36.183 317 HG3 ARG 36 HG1 ARG 36 -18.805 -1.528 -37.844 318 HD2 ARG 36 HD2 ARG 36 -20.783 0.021 -36.166 319 HD3 ARG 36 HD1 ARG 36 -19.080 0.444 -36.332 320 HE ARG 36 HE ARG 36 -19.693 0.510 -38.846 321 HH11 ARG 36 HH11 ARG 36 -21.828 1.491 -36.238 322 HH12 ARG 36 HH12 ARG 36 -22.609 2.721 -37.179 323 HH21 ARG 36 HH21 ARG 36 -20.731 2.135 -40.070 324 HH22 ARG 36 HH22 ARG 36 -21.996 3.078 -39.346 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -18.063 0.893 -4.636 2 H2 ALA 1 HT2 ALA 1 -17.600 0.587 -3.036 3 H3 ALA 1 HT3 ALA 1 -18.467 -0.575 -3.898 4 HA ALA 1 HA ALA 1 -15.742 0.365 -4.577 5 HB1 ALA 1 HB1 ALA 1 -16.619 -2.212 -3.263 6 HB2 ALA 1 HB2 ALA 1 -15.730 -0.898 -2.491 7 HB3 ALA 1 HB3 ALA 1 -14.977 -1.832 -3.784 8 H PHE 2 HN PHE 2 -15.555 0.247 -6.718 9 HA PHE 2 HA PHE 2 -16.616 -2.132 -8.098 10 HB2 PHE 2 HB2 PHE 2 -16.479 0.702 -9.169 11 HB3 PHE 2 HB1 PHE 2 -16.903 -0.712 -10.128 12 HD1 PHE 2 HD1 PHE 2 -18.109 1.835 -7.903 13 HD2 PHE 2 HD2 PHE 2 -18.979 -2.015 -9.505 14 HE1 PHE 2 HE1 PHE 2 -20.467 2.105 -7.270 15 HE2 PHE 2 HE2 PHE 2 -21.339 -1.749 -8.869 16 HZ PHE 2 HZ PHE 2 -22.085 0.313 -7.750 17 H ILE 3 HN ILE 3 -14.666 -3.199 -7.888 18 HA ILE 3 HA ILE 3 -12.290 -1.933 -9.062 19 HB ILE 3 HB ILE 3 -12.464 -4.523 -7.493 20 HG12 ILE 3 HG12 ILE 3 -13.066 -2.591 -6.093 21 HG13 ILE 3 HG11 ILE 3 -11.510 -3.255 -5.610 22 HG21 ILE 3 HG21 ILE 3 -10.007 -4.286 -7.308 23 HG22 ILE 3 HG22 ILE 3 -10.081 -2.888 -8.383 24 HG23 ILE 3 HG23 ILE 3 -10.545 -4.482 -8.978 25 HD11 ILE 3 HD11 ILE 3 -11.950 -0.772 -7.262 26 HD12 ILE 3 HD12 ILE 3 -10.378 -1.443 -6.827 27 HD13 ILE 3 HD13 ILE 3 -11.458 -0.842 -5.570 28 H GLN 4 HN GLN 4 -13.008 -2.138 -11.222 29 HA GLN 4 HA GLN 4 -13.010 -4.895 -12.274 30 HB2 GLN 4 HB2 GLN 4 -14.176 -2.348 -13.433 31 HB3 GLN 4 HB1 GLN 4 -14.080 -3.870 -14.309 32 HG2 GLN 4 HG2 GLN 4 -15.608 -3.414 -11.749 33 HG3 GLN 4 HG1 GLN 4 -16.302 -3.498 -13.369 34 HE21 GLN 4 HE21 GLN 4 -14.895 -5.313 -10.753 35 HE22 GLN 4 HE22 GLN 4 -15.317 -6.878 -11.351 36 H LEU 5 HN LEU 5 -10.943 -5.331 -12.682 37 HA LEU 5 HA LEU 5 -9.233 -3.300 -13.913 38 HB2 LEU 5 HB2 LEU 5 -8.547 -6.015 -12.769 39 HB3 LEU 5 HB1 LEU 5 -7.388 -4.852 -13.389 40 HG LEU 5 HG LEU 5 -9.178 -4.426 -10.986 41 HD11 LEU 5 HD11 LEU 5 -7.123 -4.568 -9.675 42 HD12 LEU 5 HD12 LEU 5 -6.214 -4.960 -11.135 43 HD13 LEU 5 HD13 LEU 5 -7.445 -6.072 -10.535 44 HD21 LEU 5 HD21 LEU 5 -8.719 -2.330 -12.120 45 HD22 LEU 5 HD22 LEU 5 -6.991 -2.688 -12.144 46 HD23 LEU 5 HD23 LEU 5 -7.815 -2.412 -10.608 47 H SER 6 HN SER 6 -9.858 -3.268 -16.010 48 HA SER 6 HA SER 6 -9.984 -5.708 -17.583 49 HB2 SER 6 HB2 SER 6 -11.566 -3.827 -17.987 50 HB3 SER 6 HB1 SER 6 -10.204 -2.806 -18.446 51 HG SER 6 HG SER 6 -11.181 -5.119 -19.762 52 H LYS 7 HN LYS 7 -8.824 -4.923 -19.983 53 HA LYS 7 HA LYS 7 -6.066 -4.180 -19.380 54 HB2 LYS 7 HB2 LYS 7 -5.152 -6.134 -20.563 55 HB3 LYS 7 HB1 LYS 7 -6.066 -6.616 -19.140 56 HG2 LYS 7 HG2 LYS 7 -7.895 -7.370 -20.455 57 HG3 LYS 7 HG1 LYS 7 -7.243 -6.625 -21.914 58 HD2 LYS 7 HD2 LYS 7 -5.726 -8.769 -20.445 59 HD3 LYS 7 HD1 LYS 7 -6.986 -9.178 -21.609 60 HE2 LYS 7 HE2 LYS 7 -4.757 -9.209 -22.636 61 HE3 LYS 7 HE1 LYS 7 -5.791 -7.982 -23.364 62 HZ1 LYS 7 HZ1 LYS 7 -3.744 -7.428 -21.278 63 HZ2 LYS 7 HZ2 LYS 7 -4.657 -6.288 -22.137 64 HZ3 LYS 7 HZ3 LYS 7 -3.504 -7.220 -22.941 65 HA PRO 8 HA PRO 8 -6.331 -2.399 -23.517 66 HB2 PRO 8 HB2 PRO 8 -3.390 -2.673 -23.596 67 HB3 PRO 8 HB1 PRO 8 -4.376 -1.211 -23.667 68 HG2 PRO 8 HG2 PRO 8 -2.896 -1.805 -21.500 69 HG3 PRO 8 HG1 PRO 8 -4.471 -0.996 -21.367 70 HD2 PRO 8 HD2 PRO 8 -3.788 -3.890 -20.927 71 HD3 PRO 8 HD1 PRO 8 -4.842 -2.825 -19.969 72 H CYS 9 HN CYS 9 -4.983 -2.960 -25.686 73 HA CYS 9 HA CYS 9 -5.059 -5.901 -25.923 74 HB2 CYS 9 HB2 CYS 9 -5.927 -3.748 -27.845 75 HB3 CYS 9 HB1 CYS 9 -5.552 -5.377 -28.401 76 HG CYS 9 HG CYS 9 -8.259 -5.364 -28.266 77 H ILE 10 HN ILE 10 -3.805 -6.632 -27.937 78 HA ILE 10 HA ILE 10 -1.080 -6.150 -27.433 79 HB ILE 10 HB ILE 10 -2.096 -8.262 -28.357 80 HG12 ILE 10 HG12 ILE 10 0.177 -7.206 -30.060 81 HG13 ILE 10 HG11 ILE 10 0.377 -7.777 -28.406 82 HG21 ILE 10 HG21 ILE 10 -3.534 -7.269 -30.045 83 HG22 ILE 10 HG22 ILE 10 -2.439 -8.446 -30.774 84 HG23 ILE 10 HG23 ILE 10 -2.122 -6.719 -30.949 85 HD11 ILE 10 HD11 ILE 10 -0.409 -9.994 -29.094 86 HD12 ILE 10 HD12 ILE 10 1.017 -9.481 -29.996 87 HD13 ILE 10 HD13 ILE 10 -0.574 -9.409 -30.751 88 H SER 11 HN SER 11 0.500 -5.561 -29.265 89 HA SER 11 HA SER 11 0.229 -2.860 -29.797 90 HB2 SER 11 HB2 SER 11 2.173 -3.542 -31.542 91 HB3 SER 11 HB1 SER 11 2.429 -3.453 -29.798 92 HG SER 11 HG SER 11 2.253 -5.665 -31.471 93 H ASP 12 HN ASP 12 0.269 -1.730 -31.820 94 HA ASP 12 HA ASP 12 -2.164 -1.986 -33.102 95 HB2 ASP 12 HB2 ASP 12 -1.414 -0.194 -34.574 96 HB3 ASP 12 HB1 ASP 12 -0.891 0.114 -32.924 97 H LYS 13 HN LYS 13 1.028 -2.879 -34.334 98 HA LYS 13 HA LYS 13 0.172 -3.548 -36.941 99 HB2 LYS 13 HB2 LYS 13 2.600 -4.466 -35.381 100 HB3 LYS 13 HB1 LYS 13 2.375 -4.683 -37.112 101 HG2 LYS 13 HG2 LYS 13 2.506 -2.358 -37.527 102 HG3 LYS 13 HG1 LYS 13 2.356 -1.969 -35.812 103 HD2 LYS 13 HD2 LYS 13 4.683 -3.453 -37.047 104 HD3 LYS 13 HD1 LYS 13 4.668 -1.728 -36.674 105 HE2 LYS 13 HE2 LYS 13 4.320 -3.965 -34.668 106 HE3 LYS 13 HE1 LYS 13 5.792 -3.030 -34.922 107 HZ1 LYS 13 HZ1 LYS 13 4.669 -1.056 -34.205 108 HZ2 LYS 13 HZ2 LYS 13 4.460 -2.244 -33.023 109 HZ3 LYS 13 HZ3 LYS 13 3.193 -1.863 -34.077 110 H GLU 14 HN GLU 14 0.005 -5.211 -33.936 111 HA GLU 14 HA GLU 14 -0.253 -7.841 -35.179 112 HB2 GLU 14 HB2 GLU 14 -0.169 -6.878 -32.320 113 HB3 GLU 14 HB1 GLU 14 -0.583 -8.536 -32.731 114 HG2 GLU 14 HG2 GLU 14 1.812 -8.125 -32.082 115 HG3 GLU 14 HG1 GLU 14 1.562 -8.972 -33.606 116 H CYS 15 HN CYS 15 -2.175 -5.376 -33.612 117 HA CYS 15 HA CYS 15 -4.629 -6.839 -33.601 118 HB2 CYS 15 HB2 CYS 15 -4.201 -3.838 -33.629 119 HB3 CYS 15 HB1 CYS 15 -5.676 -4.678 -33.158 120 HG CYS 15 HG CYS 15 -2.716 -4.569 -31.472 121 H SER 16 HN SER 16 -2.798 -5.262 -36.020 122 HA SER 16 HA SER 16 -4.957 -4.617 -37.784 123 HB2 SER 16 HB2 SER 16 -2.801 -3.428 -37.895 124 HB3 SER 16 HB1 SER 16 -1.992 -4.926 -38.355 125 HG SER 16 HG SER 16 -2.786 -4.773 -40.320 126 H ILE 17 HN ILE 17 -6.053 -6.684 -37.653 127 HA ILE 17 HA ILE 17 -4.959 -8.822 -39.311 128 HB ILE 17 HB ILE 17 -6.133 -9.503 -37.285 129 HG12 ILE 17 HG12 ILE 17 -7.820 -11.044 -38.266 130 HG13 ILE 17 HG11 ILE 17 -7.738 -10.150 -39.779 131 HG21 ILE 17 HG21 ILE 17 -8.520 -9.079 -36.948 132 HG22 ILE 17 HG22 ILE 17 -8.556 -8.095 -38.411 133 HG23 ILE 17 HG23 ILE 17 -7.602 -7.576 -37.022 134 HD11 ILE 17 HD11 ILE 17 -5.420 -10.792 -40.061 135 HD12 ILE 17 HD12 ILE 17 -6.429 -12.220 -39.834 136 HD13 ILE 17 HD13 ILE 17 -5.438 -11.621 -38.505 137 H VAL 18 HN VAL 18 -5.638 -9.225 -41.373 138 HA VAL 18 HA VAL 18 -7.411 -7.210 -42.578 139 HB VAL 18 HB VAL 18 -6.314 -7.895 -44.754 140 HG11 VAL 18 HG11 VAL 18 -4.524 -6.743 -42.604 141 HG12 VAL 18 HG12 VAL 18 -5.683 -5.847 -43.586 142 HG13 VAL 18 HG13 VAL 18 -4.274 -6.588 -44.344 143 HG21 VAL 18 HG21 VAL 18 -4.140 -9.041 -44.637 144 HG22 VAL 18 HG22 VAL 18 -5.441 -10.083 -44.062 145 HG23 VAL 18 HG23 VAL 18 -4.365 -9.300 -42.906 146 H LYS 19 HN LYS 19 -9.248 -8.484 -41.810 147 HA LYS 19 HA LYS 19 -10.120 -10.314 -43.889 148 HB2 LYS 19 HB2 LYS 19 -9.868 -11.119 -40.996 149 HB3 LYS 19 HB1 LYS 19 -11.096 -11.850 -42.020 150 HG2 LYS 19 HG2 LYS 19 -8.127 -11.893 -42.561 151 HG3 LYS 19 HG1 LYS 19 -9.062 -13.220 -41.866 152 HD2 LYS 19 HD2 LYS 19 -10.404 -13.366 -43.907 153 HD3 LYS 19 HD1 LYS 19 -9.528 -11.997 -44.595 154 HE2 LYS 19 HE2 LYS 19 -8.330 -14.671 -43.856 155 HE3 LYS 19 HE1 LYS 19 -8.721 -14.130 -45.490 156 HZ1 LYS 19 HZ1 LYS 19 -6.685 -12.973 -43.668 157 HZ2 LYS 19 HZ2 LYS 19 -7.135 -12.279 -45.143 158 HZ3 LYS 19 HZ3 LYS 19 -6.407 -13.802 -45.113 159 H ASN 20 HN ASN 20 -10.999 -7.890 -43.825 160 HA ASN 20 HA ASN 20 -12.935 -6.747 -44.080 161 HB2 ASN 20 HB2 ASN 20 -14.279 -9.176 -42.865 162 HB3 ASN 20 HB1 ASN 20 -15.128 -7.803 -43.564 163 HD21 ASN 20 HD21 ASN 20 -13.272 -10.653 -44.213 164 HD22 ASN 20 HD22 ASN 20 -13.529 -10.680 -45.921 165 H TYR 21 HN TYR 21 -13.330 -8.477 -40.966 166 HA TYR 21 HA TYR 21 -14.450 -6.240 -39.659 167 HB2 TYR 21 HB2 TYR 21 -13.774 -7.521 -37.526 168 HB3 TYR 21 HB1 TYR 21 -14.935 -8.273 -38.607 169 HD1 TYR 21 HD1 TYR 21 -11.315 -8.289 -37.695 170 HD2 TYR 21 HD2 TYR 21 -14.551 -10.429 -39.450 171 HE1 TYR 21 HE1 TYR 21 -9.918 -10.311 -37.789 172 HE2 TYR 21 HE2 TYR 21 -13.163 -12.455 -39.552 173 HH TYR 21 HH TYR 21 -10.137 -12.702 -37.942 174 H ARG 22 HN ARG 22 -13.573 -4.651 -38.402 175 HA ARG 22 HA ARG 22 -10.656 -4.361 -38.681 176 HB2 ARG 22 HB2 ARG 22 -11.886 -2.771 -40.052 177 HB3 ARG 22 HB1 ARG 22 -12.777 -2.215 -38.643 178 HG2 ARG 22 HG2 ARG 22 -11.040 -0.626 -39.210 179 HG3 ARG 22 HG1 ARG 22 -10.681 -1.375 -37.657 180 HD2 ARG 22 HD2 ARG 22 -9.479 -2.340 -40.252 181 HD3 ARG 22 HD1 ARG 22 -8.732 -1.081 -39.273 182 HE ARG 22 HE ARG 22 -8.628 -2.794 -37.456 183 HH11 ARG 22 HH11 ARG 22 -8.754 -3.774 -40.807 184 HH12 ARG 22 HH12 ARG 22 -7.952 -5.285 -40.537 185 HH21 ARG 22 HH21 ARG 22 -7.564 -4.787 -37.082 186 HH22 ARG 22 HH22 ARG 22 -7.299 -5.868 -38.419 187 H ALA 23 HN ALA 23 -10.081 -5.230 -36.715 188 HA ALA 23 HA ALA 23 -10.767 -3.660 -34.332 189 HB1 ALA 23 HB1 ALA 23 -9.317 -5.269 -33.137 190 HB2 ALA 23 HB2 ALA 23 -8.965 -6.075 -34.667 191 HB3 ALA 23 HB3 ALA 23 -10.607 -6.079 -34.024 192 H ARG 24 HN ARG 24 -9.528 -1.939 -33.797 193 HA ARG 24 HA ARG 24 -6.790 -1.809 -34.884 194 HB2 ARG 24 HB2 ARG 24 -8.584 -0.458 -36.202 195 HB3 ARG 24 HB1 ARG 24 -8.571 0.633 -34.824 196 HG2 ARG 24 HG2 ARG 24 -6.070 -0.092 -36.344 197 HG3 ARG 24 HG1 ARG 24 -7.106 1.256 -36.807 198 HD2 ARG 24 HD2 ARG 24 -6.700 2.373 -34.727 199 HD3 ARG 24 HD1 ARG 24 -5.872 0.961 -34.070 200 HE ARG 24 HE ARG 24 -4.109 1.365 -35.737 201 HH11 ARG 24 HH11 ARG 24 -6.305 4.009 -35.058 202 HH12 ARG 24 HH12 ARG 24 -5.127 5.233 -35.410 203 HH21 ARG 24 HH21 ARG 24 -2.563 2.983 -36.187 204 HH22 ARG 24 HH22 ARG 24 -3.013 4.655 -36.059 205 H CYS 25 HN CYS 25 -5.436 -1.657 -33.261 206 HA CYS 25 HA CYS 25 -6.305 -0.568 -30.699 207 HB2 CYS 25 HB2 CYS 25 -3.760 -1.992 -31.512 208 HB3 CYS 25 HB1 CYS 25 -4.140 -1.472 -29.871 209 HG CYS 25 HG CYS 25 -4.636 -4.115 -29.756 210 H ARG 26 HN ARG 26 -6.114 1.534 -30.405 211 HA ARG 26 HA ARG 26 -3.751 2.941 -31.454 212 HB2 ARG 26 HB2 ARG 26 -5.106 5.023 -31.239 213 HB3 ARG 26 HB1 ARG 26 -5.762 3.879 -32.401 214 HG2 ARG 26 HG2 ARG 26 -7.491 3.213 -30.864 215 HG3 ARG 26 HG1 ARG 26 -6.777 4.181 -29.573 216 HD2 ARG 26 HD2 ARG 26 -7.250 6.222 -30.790 217 HD3 ARG 26 HD1 ARG 26 -7.838 5.298 -32.170 218 HE ARG 26 HE ARG 26 -9.644 4.502 -30.626 219 HH11 ARG 26 HH11 ARG 26 -8.004 7.521 -29.962 220 HH12 ARG 26 HH12 ARG 26 -9.409 8.283 -29.286 221 HH21 ARG 26 HH21 ARG 26 -11.513 5.522 -29.720 222 HH22 ARG 26 HH22 ARG 26 -11.373 7.145 -29.122 223 H LYS 27 HN LYS 27 -2.295 3.472 -29.984 224 HA LYS 27 HA LYS 27 -1.262 3.953 -28.011 225 HB2 LYS 27 HB2 LYS 27 -3.949 5.203 -27.359 226 HB3 LYS 27 HB1 LYS 27 -2.438 5.532 -26.518 227 HG2 LYS 27 HG2 LYS 27 -1.502 6.572 -28.471 228 HG3 LYS 27 HG1 LYS 27 -2.879 6.074 -29.454 229 HD2 LYS 27 HD2 LYS 27 -3.104 8.408 -28.904 230 HD3 LYS 27 HD1 LYS 27 -4.349 7.491 -28.058 231 HE2 LYS 27 HE2 LYS 27 -2.979 7.557 -26.010 232 HE3 LYS 27 HE1 LYS 27 -1.762 8.502 -26.865 233 HZ1 LYS 27 HZ1 LYS 27 -4.553 9.320 -26.273 234 HZ2 LYS 27 HZ2 LYS 27 -3.493 10.206 -27.242 235 HZ3 LYS 27 HZ3 LYS 27 -3.140 9.975 -25.608 236 H GLY 28 HN GLY 28 -2.601 1.401 -28.252 237 HA2 GLY 28 HA2 GLY 28 -2.512 -0.415 -26.768 238 HA3 GLY 28 HA1 GLY 28 -2.673 0.697 -25.415 239 H TYR 29 HN TYR 29 -4.987 1.991 -26.960 240 HA TYR 29 HA TYR 29 -7.016 0.242 -25.808 241 HB2 TYR 29 HB2 TYR 29 -7.148 3.075 -26.884 242 HB3 TYR 29 HB1 TYR 29 -8.538 2.201 -26.243 243 HD1 TYR 29 HD1 TYR 29 -5.336 3.808 -25.379 244 HD2 TYR 29 HD2 TYR 29 -8.784 1.817 -23.868 245 HE1 TYR 29 HE1 TYR 29 -4.736 4.506 -23.099 246 HE2 TYR 29 HE2 TYR 29 -8.194 2.513 -21.588 247 HH TYR 29 HH TYR 29 -5.799 4.854 -20.940 248 H CYS 30 HN CYS 30 -8.394 -0.946 -26.988 249 HA CYS 30 HA CYS 30 -7.952 -0.952 -29.897 250 HB2 CYS 30 HB2 CYS 30 -8.867 -3.370 -29.581 251 HB3 CYS 30 HB1 CYS 30 -7.226 -3.005 -29.056 252 HG CYS 30 HG CYS 30 -7.568 -3.326 -26.486 253 H VAL 31 HN VAL 31 -9.581 -0.502 -31.221 254 HA VAL 31 HA VAL 31 -12.333 -0.512 -30.163 255 HB VAL 31 HB VAL 31 -12.925 1.023 -31.992 256 HG11 VAL 31 HG11 VAL 31 -12.229 1.960 -29.841 257 HG12 VAL 31 HG12 VAL 31 -11.765 3.015 -31.176 258 HG13 VAL 31 HG13 VAL 31 -10.553 2.002 -30.388 259 HG21 VAL 31 HG21 VAL 31 -9.984 0.921 -32.699 260 HG22 VAL 31 HG22 VAL 31 -11.148 2.063 -33.373 261 HG23 VAL 31 HG23 VAL 31 -11.326 0.336 -33.686 262 H ARG 32 HN ARG 32 -13.928 -1.634 -31.212 263 HA ARG 32 HA ARG 32 -13.053 -3.389 -33.417 264 HB2 ARG 32 HB2 ARG 32 -14.884 -4.944 -32.594 265 HB3 ARG 32 HB1 ARG 32 -13.486 -4.777 -31.540 266 HG2 ARG 32 HG2 ARG 32 -14.802 -3.121 -30.187 267 HG3 ARG 32 HG1 ARG 32 -16.205 -3.515 -31.181 268 HD2 ARG 32 HD2 ARG 32 -16.140 -5.816 -30.446 269 HD3 ARG 32 HD1 ARG 32 -14.642 -5.527 -29.556 270 HE ARG 32 HE ARG 32 -17.030 -3.990 -28.824 271 HH11 ARG 32 HH11 ARG 32 -14.765 -6.559 -28.027 272 HH12 ARG 32 HH12 ARG 32 -15.219 -6.595 -26.354 273 HH21 ARG 32 HH21 ARG 32 -17.615 -4.073 -26.607 274 HH22 ARG 32 HH22 ARG 32 -16.809 -5.195 -25.556 275 H ARG 33 HN ARG 33 -13.804 -2.678 -35.270 276 HA ARG 33 HA ARG 33 -16.306 -1.171 -35.378 277 HB2 ARG 33 HB2 ARG 33 -14.151 -1.573 -37.474 278 HB3 ARG 33 HB1 ARG 33 -15.569 -0.550 -37.665 279 HG2 ARG 33 HG2 ARG 33 -13.274 -0.158 -35.744 280 HG3 ARG 33 HG1 ARG 33 -13.698 0.845 -37.134 281 HD2 ARG 33 HD2 ARG 33 -15.888 1.328 -35.982 282 HD3 ARG 33 HD1 ARG 33 -15.237 0.515 -34.560 283 HE ARG 33 HE ARG 33 -13.578 2.646 -35.569 284 HH11 ARG 33 HH11 ARG 33 -16.200 1.793 -33.424 285 HH12 ARG 33 HH12 ARG 33 -16.052 3.223 -32.453 286 HH21 ARG 33 HH21 ARG 33 -13.388 4.545 -34.318 287 HH22 ARG 33 HH22 ARG 33 -14.482 4.813 -32.992 288 H ARG 34 HN ARG 34 -18.100 -1.839 -36.448 289 HA ARG 34 HA ARG 34 -18.071 -4.084 -38.246 290 HB2 ARG 34 HB2 ARG 34 -19.715 -5.432 -36.860 291 HB3 ARG 34 HB1 ARG 34 -18.048 -5.431 -36.307 292 HG2 ARG 34 HG2 ARG 34 -18.626 -3.767 -34.589 293 HG3 ARG 34 HG1 ARG 34 -20.305 -3.801 -35.136 294 HD2 ARG 34 HD2 ARG 34 -20.512 -6.123 -34.525 295 HD3 ARG 34 HD1 ARG 34 -18.796 -6.215 -34.128 296 HE ARG 34 HE ARG 34 -19.787 -4.234 -32.510 297 HH11 ARG 34 HH11 ARG 34 -20.590 -7.610 -33.041 298 HH12 ARG 34 HH12 ARG 34 -21.089 -7.872 -31.403 299 HH21 ARG 34 HH21 ARG 34 -20.445 -4.590 -30.358 300 HH22 ARG 34 HH22 ARG 34 -21.006 -6.159 -29.878 301 H ILE 35 HN ILE 35 -20.422 -2.391 -36.113 302 HA ILE 35 HA ILE 35 -22.314 -2.141 -38.259 303 HB ILE 35 HB ILE 35 -23.221 -2.455 -36.066 304 HG12 ILE 35 HG12 ILE 35 -24.539 -0.359 -35.727 305 HG13 ILE 35 HG11 ILE 35 -23.507 0.418 -36.917 306 HG21 ILE 35 HG21 ILE 35 -22.802 -0.857 -34.203 307 HG22 ILE 35 HG22 ILE 35 -21.557 -0.090 -35.191 308 HG23 ILE 35 HG23 ILE 35 -21.374 -1.769 -34.683 309 HD11 ILE 35 HD11 ILE 35 -24.278 -1.168 -38.616 310 HD12 ILE 35 HD12 ILE 35 -25.614 -0.262 -37.907 311 HD13 ILE 35 HD13 ILE 35 -25.328 -1.929 -37.415 312 H ARG 36 HN ARG 36 -19.957 -0.246 -36.557 313 HA ARG 36 HA ARG 36 -19.764 1.585 -38.806 314 HB2 ARG 36 HB2 ARG 36 -21.004 2.999 -37.371 315 HB3 ARG 36 HB1 ARG 36 -20.206 2.395 -35.927 316 HG2 ARG 36 HG2 ARG 36 -18.202 3.599 -36.436 317 HG3 ARG 36 HG1 ARG 36 -18.803 4.033 -38.037 318 HD2 ARG 36 HD2 ARG 36 -20.117 4.902 -35.463 319 HD3 ARG 36 HD1 ARG 36 -18.906 5.861 -36.316 320 HE ARG 36 HE ARG 36 -20.796 5.289 -38.204 321 HH11 ARG 36 HH11 ARG 36 -20.874 6.834 -35.053 322 HH12 ARG 36 HH12 ARG 36 -22.169 7.910 -35.481 323 HH21 ARG 36 HH21 ARG 36 -22.491 6.689 -38.760 324 HH22 ARG 36 HH22 ARG 36 -23.087 7.831 -37.597 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -4.957 -5.285 -0.257 2 H2 ALA 1 HT2 ALA 1 -4.963 -6.332 -1.583 3 H3 ALA 1 HT3 ALA 1 -6.211 -6.399 -0.448 4 HA ALA 1 HA ALA 1 -6.991 -4.247 -1.058 5 HB1 ALA 1 HB1 ALA 1 -4.726 -4.247 -3.061 6 HB2 ALA 1 HB2 ALA 1 -4.818 -3.251 -1.607 7 HB3 ALA 1 HB3 ALA 1 -5.978 -3.012 -2.915 8 H PHE 2 HN PHE 2 -8.350 -3.874 -3.003 9 HA PHE 2 HA PHE 2 -9.141 -6.464 -4.097 10 HB2 PHE 2 HB2 PHE 2 -10.535 -3.768 -4.262 11 HB3 PHE 2 HB1 PHE 2 -11.210 -5.309 -4.783 12 HD1 PHE 2 HD1 PHE 2 -11.192 -7.182 -2.873 13 HD2 PHE 2 HD2 PHE 2 -11.175 -2.974 -2.185 14 HE1 PHE 2 HE1 PHE 2 -12.103 -7.545 -0.616 15 HE2 PHE 2 HE2 PHE 2 -12.087 -3.339 0.070 16 HZ PHE 2 HZ PHE 2 -12.551 -5.624 0.860 17 H ILE 3 HN ILE 3 -6.974 -6.193 -5.257 18 HA ILE 3 HA ILE 3 -6.781 -4.229 -7.298 19 HB ILE 3 HB ILE 3 -4.752 -5.459 -8.025 20 HG12 ILE 3 HG12 ILE 3 -5.493 -7.383 -5.799 21 HG13 ILE 3 HG11 ILE 3 -5.543 -7.746 -7.522 22 HG21 ILE 3 HG21 ILE 3 -4.651 -3.775 -6.228 23 HG22 ILE 3 HG22 ILE 3 -3.444 -5.044 -6.008 24 HG23 ILE 3 HG23 ILE 3 -4.915 -5.048 -5.034 25 HD11 ILE 3 HD11 ILE 3 -3.078 -7.088 -5.919 26 HD12 ILE 3 HD12 ILE 3 -3.123 -7.442 -7.647 27 HD13 ILE 3 HD13 ILE 3 -3.571 -8.686 -6.482 28 H GLN 4 HN GLN 4 -7.105 -4.392 -9.470 29 HA GLN 4 HA GLN 4 -8.215 -6.914 -10.521 30 HB2 GLN 4 HB2 GLN 4 -9.067 -4.086 -11.212 31 HB3 GLN 4 HB1 GLN 4 -9.650 -5.536 -12.017 32 HG2 GLN 4 HG2 GLN 4 -10.610 -6.306 -9.885 33 HG3 GLN 4 HG1 GLN 4 -10.068 -4.813 -9.120 34 HE21 GLN 4 HE21 GLN 4 -12.292 -6.230 -11.390 35 HE22 GLN 4 HE22 GLN 4 -13.367 -4.880 -11.489 36 H LEU 5 HN LEU 5 -7.155 -7.697 -12.238 37 HA LEU 5 HA LEU 5 -5.160 -6.014 -13.568 38 HB2 LEU 5 HB2 LEU 5 -4.486 -8.245 -12.722 39 HB3 LEU 5 HB1 LEU 5 -5.654 -8.991 -13.797 40 HG LEU 5 HG LEU 5 -4.413 -8.123 -15.749 41 HD11 LEU 5 HD11 LEU 5 -2.447 -7.109 -13.687 42 HD12 LEU 5 HD12 LEU 5 -3.440 -6.125 -14.763 43 HD13 LEU 5 HD13 LEU 5 -2.172 -7.151 -15.429 44 HD21 LEU 5 HD21 LEU 5 -2.685 -9.678 -13.820 45 HD22 LEU 5 HD22 LEU 5 -2.487 -9.612 -15.572 46 HD23 LEU 5 HD23 LEU 5 -3.925 -10.362 -14.877 47 H SER 6 HN SER 6 -6.083 -4.827 -15.111 48 HA SER 6 HA SER 6 -8.378 -5.660 -16.607 49 HB2 SER 6 HB2 SER 6 -7.941 -3.282 -16.003 50 HB3 SER 6 HB1 SER 6 -6.520 -3.293 -17.044 51 HG SER 6 HG SER 6 -8.577 -2.432 -17.929 52 H LYS 7 HN LYS 7 -8.460 -5.954 -18.897 53 HA LYS 7 HA LYS 7 -6.008 -7.131 -20.015 54 HB2 LYS 7 HB2 LYS 7 -8.040 -8.553 -19.936 55 HB3 LYS 7 HB1 LYS 7 -8.887 -7.384 -20.939 56 HG2 LYS 7 HG2 LYS 7 -8.179 -9.231 -22.304 57 HG3 LYS 7 HG1 LYS 7 -7.249 -7.800 -22.750 58 HD2 LYS 7 HD2 LYS 7 -5.380 -8.616 -21.336 59 HD3 LYS 7 HD1 LYS 7 -6.315 -10.068 -20.978 60 HE2 LYS 7 HE2 LYS 7 -6.344 -10.599 -23.402 61 HE3 LYS 7 HE1 LYS 7 -5.321 -9.192 -23.694 62 HZ1 LYS 7 HZ1 LYS 7 -3.701 -10.260 -22.113 63 HZ2 LYS 7 HZ2 LYS 7 -3.895 -11.040 -23.597 64 HZ3 LYS 7 HZ3 LYS 7 -4.635 -11.668 -22.214 65 HA PRO 8 HA PRO 8 -6.169 -3.520 -22.770 66 HB2 PRO 8 HB2 PRO 8 -3.555 -3.024 -22.854 67 HB3 PRO 8 HB1 PRO 8 -4.487 -2.639 -21.400 68 HG2 PRO 8 HG2 PRO 8 -2.633 -4.925 -21.912 69 HG3 PRO 8 HG1 PRO 8 -2.898 -4.006 -20.419 70 HD2 PRO 8 HD2 PRO 8 -4.050 -6.501 -21.080 71 HD3 PRO 8 HD1 PRO 8 -4.534 -5.439 -19.745 72 H CYS 9 HN CYS 9 -4.419 -3.175 -24.731 73 HA CYS 9 HA CYS 9 -3.739 -5.699 -26.010 74 HB2 CYS 9 HB2 CYS 9 -5.675 -3.695 -27.197 75 HB3 CYS 9 HB1 CYS 9 -4.850 -4.922 -28.156 76 HG CYS 9 HG CYS 9 -6.201 -6.492 -25.669 77 H ILE 10 HN ILE 10 -2.346 -5.405 -27.877 78 HA ILE 10 HA ILE 10 -0.590 -3.107 -27.562 79 HB ILE 10 HB ILE 10 -0.265 -5.451 -29.465 80 HG12 ILE 10 HG12 ILE 10 -0.488 -6.298 -27.167 81 HG13 ILE 10 HG11 ILE 10 1.164 -6.490 -27.744 82 HG21 ILE 10 HG21 ILE 10 2.170 -4.872 -29.242 83 HG22 ILE 10 HG22 ILE 10 1.685 -3.417 -28.369 84 HG23 ILE 10 HG23 ILE 10 1.201 -3.643 -30.051 85 HD11 ILE 10 HD11 ILE 10 0.171 -4.344 -25.876 86 HD12 ILE 10 HD12 ILE 10 1.825 -4.501 -26.469 87 HD13 ILE 10 HD13 ILE 10 1.133 -5.754 -25.441 88 H SER 11 HN SER 11 0.220 -2.099 -29.685 89 HA SER 11 HA SER 11 -1.866 -0.662 -30.793 90 HB2 SER 11 HB2 SER 11 -0.112 0.118 -32.442 91 HB3 SER 11 HB1 SER 11 0.345 0.259 -30.745 92 HG SER 11 HG SER 11 2.051 -0.789 -31.423 93 H ASP 12 HN ASP 12 -2.248 -0.371 -33.157 94 HA ASP 12 HA ASP 12 -3.545 -2.557 -34.271 95 HB2 ASP 12 HB2 ASP 12 -3.995 -0.190 -34.848 96 HB3 ASP 12 HB1 ASP 12 -2.456 -0.108 -35.688 97 H LYS 13 HN LYS 13 -0.247 -1.469 -34.620 98 HA LYS 13 HA LYS 13 0.590 -2.921 -36.848 99 HB2 LYS 13 HB2 LYS 13 2.122 -2.216 -34.329 100 HB3 LYS 13 HB1 LYS 13 2.862 -2.803 -35.812 101 HG2 LYS 13 HG2 LYS 13 2.131 -0.830 -37.008 102 HG3 LYS 13 HG1 LYS 13 1.259 -0.261 -35.586 103 HD2 LYS 13 HD2 LYS 13 3.311 0.957 -35.703 104 HD3 LYS 13 HD1 LYS 13 3.453 -0.182 -34.367 105 HE2 LYS 13 HE2 LYS 13 4.566 -0.644 -37.139 106 HE3 LYS 13 HE1 LYS 13 5.501 -0.010 -35.789 107 HZ1 LYS 13 HZ1 LYS 13 5.930 -2.314 -35.941 108 HZ2 LYS 13 HZ2 LYS 13 4.290 -2.704 -36.036 109 HZ3 LYS 13 HZ3 LYS 13 4.935 -2.105 -34.589 110 H GLU 14 HN GLU 14 0.094 -3.940 -33.531 111 HA GLU 14 HA GLU 14 1.246 -6.576 -33.995 112 HB2 GLU 14 HB2 GLU 14 1.653 -5.497 -31.844 113 HB3 GLU 14 HB1 GLU 14 -0.072 -5.334 -31.567 114 HG2 GLU 14 HG2 GLU 14 0.735 -7.139 -30.235 115 HG3 GLU 14 HG1 GLU 14 -0.260 -7.807 -31.527 116 H CYS 15 HN CYS 15 -1.903 -5.068 -33.362 117 HA CYS 15 HA CYS 15 -3.420 -7.429 -33.209 118 HB2 CYS 15 HB2 CYS 15 -4.215 -4.636 -34.058 119 HB3 CYS 15 HB1 CYS 15 -5.367 -5.946 -33.807 120 HG CYS 15 HG CYS 15 -3.407 -4.421 -31.454 121 H SER 16 HN SER 16 -2.252 -5.638 -35.996 122 HA SER 16 HA SER 16 -3.866 -6.989 -37.911 123 HB2 SER 16 HB2 SER 16 -2.077 -6.114 -39.531 124 HB3 SER 16 HB1 SER 16 -2.966 -4.907 -38.604 125 HG SER 16 HG SER 16 -0.481 -5.946 -37.724 126 H ILE 17 HN ILE 17 -3.775 -9.160 -37.614 127 HA ILE 17 HA ILE 17 -1.239 -10.483 -38.303 128 HB ILE 17 HB ILE 17 -1.619 -10.690 -35.864 129 HG12 ILE 17 HG12 ILE 17 -1.473 -13.180 -35.711 130 HG13 ILE 17 HG11 ILE 17 -1.949 -13.291 -37.402 131 HG21 ILE 17 HG21 ILE 17 -4.171 -12.118 -36.615 132 HG22 ILE 17 HG22 ILE 17 -4.047 -10.544 -35.829 133 HG23 ILE 17 HG23 ILE 17 -3.497 -11.995 -34.990 134 HD11 ILE 17 HD11 ILE 17 0.078 -12.096 -38.048 135 HD12 ILE 17 HD12 ILE 17 0.451 -13.547 -37.119 136 HD13 ILE 17 HD13 ILE 17 0.544 -11.962 -36.353 137 H VAL 18 HN VAL 18 -1.595 -12.674 -39.206 138 HA VAL 18 HA VAL 18 -3.343 -12.616 -41.364 139 HB VAL 18 HB VAL 18 -2.120 -15.080 -40.088 140 HG11 VAL 18 HG11 VAL 18 -3.869 -15.635 -41.703 141 HG12 VAL 18 HG12 VAL 18 -2.278 -16.069 -42.327 142 HG13 VAL 18 HG13 VAL 18 -3.091 -14.616 -42.916 143 HG21 VAL 18 HG21 VAL 18 -0.281 -14.775 -41.683 144 HG22 VAL 18 HG22 VAL 18 -0.412 -13.408 -40.577 145 HG23 VAL 18 HG23 VAL 18 -1.005 -13.264 -42.234 146 H LYS 19 HN LYS 19 -5.351 -13.372 -41.747 147 HA LYS 19 HA LYS 19 -7.482 -13.974 -41.411 148 HB2 LYS 19 HB2 LYS 19 -6.124 -15.907 -39.551 149 HB3 LYS 19 HB1 LYS 19 -7.834 -15.995 -39.941 150 HG2 LYS 19 HG2 LYS 19 -5.492 -16.374 -41.800 151 HG3 LYS 19 HG1 LYS 19 -6.681 -17.578 -41.308 152 HD2 LYS 19 HD2 LYS 19 -7.194 -15.142 -43.025 153 HD3 LYS 19 HD1 LYS 19 -7.132 -16.815 -43.573 154 HE2 LYS 19 HE2 LYS 19 -9.155 -15.659 -41.646 155 HE3 LYS 19 HE1 LYS 19 -9.438 -16.021 -43.346 156 HZ1 LYS 19 HZ1 LYS 19 -10.298 -17.778 -42.011 157 HZ2 LYS 19 HZ2 LYS 19 -8.832 -17.975 -41.196 158 HZ3 LYS 19 HZ3 LYS 19 -8.948 -18.368 -42.839 159 H ASN 20 HN ASN 20 -6.634 -11.727 -39.971 160 HA ASN 20 HA ASN 20 -8.611 -11.779 -37.831 161 HB2 ASN 20 HB2 ASN 20 -6.367 -11.965 -36.747 162 HB3 ASN 20 HB1 ASN 20 -5.894 -10.457 -37.524 163 HD21 ASN 20 HD21 ASN 20 -5.588 -9.347 -35.617 164 HD22 ASN 20 HD22 ASN 20 -6.883 -8.909 -34.565 165 H TYR 21 HN TYR 21 -10.041 -10.635 -38.832 166 HA TYR 21 HA TYR 21 -9.779 -8.604 -40.668 167 HB2 TYR 21 HB2 TYR 21 -11.991 -8.975 -38.631 168 HB3 TYR 21 HB1 TYR 21 -12.100 -7.968 -40.072 169 HD1 TYR 21 HD1 TYR 21 -12.433 -8.950 -42.257 170 HD2 TYR 21 HD2 TYR 21 -11.898 -11.443 -38.842 171 HE1 TYR 21 HE1 TYR 21 -13.144 -10.902 -43.575 172 HE2 TYR 21 HE2 TYR 21 -12.609 -13.397 -40.151 173 HH TYR 21 HH TYR 21 -12.873 -13.360 -43.533 174 H ARG 22 HN ARG 22 -10.746 -6.283 -40.180 175 HA ARG 22 HA ARG 22 -8.519 -5.129 -38.767 176 HB2 ARG 22 HB2 ARG 22 -10.659 -3.933 -40.524 177 HB3 ARG 22 HB1 ARG 22 -9.399 -2.977 -39.751 178 HG2 ARG 22 HG2 ARG 22 -8.800 -5.304 -41.566 179 HG3 ARG 22 HG1 ARG 22 -8.969 -3.647 -42.139 180 HD2 ARG 22 HD2 ARG 22 -7.062 -4.323 -39.918 181 HD3 ARG 22 HD1 ARG 22 -6.603 -4.531 -41.608 182 HE ARG 22 HE ARG 22 -7.417 -2.040 -41.693 183 HH11 ARG 22 HH11 ARG 22 -5.537 -3.544 -39.142 184 HH12 ARG 22 HH12 ARG 22 -4.637 -2.101 -38.792 185 HH21 ARG 22 HH21 ARG 22 -6.250 -0.160 -41.229 186 HH22 ARG 22 HH22 ARG 22 -5.038 -0.177 -39.991 187 H ALA 23 HN ALA 23 -8.578 -4.712 -36.750 188 HA ALA 23 HA ALA 23 -10.925 -3.379 -35.558 189 HB1 ALA 23 HB1 ALA 23 -9.019 -5.311 -34.206 190 HB2 ALA 23 HB2 ALA 23 -10.710 -5.625 -34.599 191 HB3 ALA 23 HB3 ALA 23 -10.297 -4.404 -33.395 192 H ARG 24 HN ARG 24 -10.393 -1.630 -34.117 193 HA ARG 24 HA ARG 24 -7.857 -0.419 -34.955 194 HB2 ARG 24 HB2 ARG 24 -10.343 0.645 -34.989 195 HB3 ARG 24 HB1 ARG 24 -9.846 1.159 -33.385 196 HG2 ARG 24 HG2 ARG 24 -8.435 1.784 -35.983 197 HG3 ARG 24 HG1 ARG 24 -9.406 2.898 -35.020 198 HD2 ARG 24 HD2 ARG 24 -7.800 2.781 -33.209 199 HD3 ARG 24 HD1 ARG 24 -6.864 1.563 -34.072 200 HE ARG 24 HE ARG 24 -7.052 4.422 -34.726 201 HH11 ARG 24 HH11 ARG 24 -5.668 1.273 -35.393 202 HH12 ARG 24 HH12 ARG 24 -4.336 1.914 -36.303 203 HH21 ARG 24 HH21 ARG 24 -5.288 5.257 -35.941 204 HH22 ARG 24 HH22 ARG 24 -4.114 4.158 -36.604 205 H CYS 25 HN CYS 25 -6.293 -1.123 -33.629 206 HA CYS 25 HA CYS 25 -6.663 -0.901 -30.720 207 HB2 CYS 25 HB2 CYS 25 -4.412 -2.235 -32.245 208 HB3 CYS 25 HB1 CYS 25 -4.722 -2.341 -30.514 209 HG CYS 25 HG CYS 25 -6.437 -3.808 -33.061 210 H ARG 26 HN ARG 26 -5.663 0.678 -29.619 211 HA ARG 26 HA ARG 26 -3.219 1.896 -30.391 212 HB2 ARG 26 HB2 ARG 26 -4.879 2.889 -32.053 213 HB3 ARG 26 HB1 ARG 26 -5.652 3.677 -30.684 214 HG2 ARG 26 HG2 ARG 26 -3.591 4.888 -30.195 215 HG3 ARG 26 HG1 ARG 26 -2.781 4.067 -31.531 216 HD2 ARG 26 HD2 ARG 26 -4.479 5.060 -33.074 217 HD3 ARG 26 HD1 ARG 26 -5.106 5.985 -31.708 218 HE ARG 26 HE ARG 26 -2.285 6.338 -32.127 219 HH11 ARG 26 HH11 ARG 26 -5.469 7.447 -33.096 220 HH12 ARG 26 HH12 ARG 26 -4.893 8.986 -33.656 221 HH21 ARG 26 HH21 ARG 26 -1.538 8.350 -32.853 222 HH22 ARG 26 HH22 ARG 26 -2.654 9.505 -33.517 223 H LYS 27 HN LYS 27 -2.373 3.145 -28.745 224 HA LYS 27 HA LYS 27 -2.072 4.018 -26.671 225 HB2 LYS 27 HB2 LYS 27 -5.078 4.414 -26.764 226 HB3 LYS 27 HB1 LYS 27 -3.996 5.148 -25.588 227 HG2 LYS 27 HG2 LYS 27 -2.904 6.432 -27.322 228 HG3 LYS 27 HG1 LYS 27 -3.852 5.615 -28.567 229 HD2 LYS 27 HD2 LYS 27 -4.777 7.821 -28.114 230 HD3 LYS 27 HD1 LYS 27 -5.912 6.567 -27.608 231 HE2 LYS 27 HE2 LYS 27 -5.051 6.829 -25.275 232 HE3 LYS 27 HE1 LYS 27 -4.079 8.189 -25.835 233 HZ1 LYS 27 HZ1 LYS 27 -6.136 9.302 -26.512 234 HZ2 LYS 27 HZ2 LYS 27 -6.128 8.959 -24.854 235 HZ3 LYS 27 HZ3 LYS 27 -7.042 8.005 -25.910 236 H GLY 28 HN GLY 28 -2.486 1.190 -26.993 237 HA2 GLY 28 HA2 GLY 28 -2.427 -0.605 -25.537 238 HA3 GLY 28 HA1 GLY 28 -2.854 0.485 -24.226 239 H TYR 29 HN TYR 29 -5.092 1.034 -26.571 240 HA TYR 29 HA TYR 29 -6.980 -0.872 -25.351 241 HB2 TYR 29 HB2 TYR 29 -7.503 1.765 -26.757 242 HB3 TYR 29 HB1 TYR 29 -8.752 0.697 -26.125 243 HD1 TYR 29 HD1 TYR 29 -6.457 3.356 -25.348 244 HD2 TYR 29 HD2 TYR 29 -8.793 0.241 -23.623 245 HE1 TYR 29 HE1 TYR 29 -6.296 4.454 -23.154 246 HE2 TYR 29 HE2 TYR 29 -8.635 1.332 -21.428 247 HH TYR 29 HH TYR 29 -7.169 2.895 -20.253 248 H CYS 30 HN CYS 30 -8.600 -1.821 -26.733 249 HA CYS 30 HA CYS 30 -7.950 -1.893 -29.599 250 HB2 CYS 30 HB2 CYS 30 -8.441 -4.404 -29.479 251 HB3 CYS 30 HB1 CYS 30 -6.898 -3.869 -28.819 252 HG CYS 30 HG CYS 30 -7.653 -4.051 -26.171 253 H VAL 31 HN VAL 31 -9.705 -1.339 -30.694 254 HA VAL 31 HA VAL 31 -12.351 -1.818 -29.481 255 HB VAL 31 HB VAL 31 -11.567 0.322 -31.478 256 HG11 VAL 31 HG11 VAL 31 -14.179 -0.114 -30.016 257 HG12 VAL 31 HG12 VAL 31 -13.896 -0.384 -31.735 258 HG13 VAL 31 HG13 VAL 31 -13.802 1.248 -31.073 259 HG21 VAL 31 HG21 VAL 31 -11.890 1.907 -29.628 260 HG22 VAL 31 HG22 VAL 31 -10.592 0.765 -29.288 261 HG23 VAL 31 HG23 VAL 31 -12.169 0.559 -28.524 262 H ARG 32 HN ARG 32 -13.579 -3.258 -30.463 263 HA ARG 32 HA ARG 32 -13.007 -4.063 -33.212 264 HB2 ARG 32 HB2 ARG 32 -14.830 -5.286 -31.112 265 HB3 ARG 32 HB1 ARG 32 -14.650 -5.903 -32.748 266 HG2 ARG 32 HG2 ARG 32 -13.275 -7.272 -31.437 267 HG3 ARG 32 HG1 ARG 32 -12.168 -6.149 -32.226 268 HD2 ARG 32 HD2 ARG 32 -11.492 -6.345 -29.942 269 HD3 ARG 32 HD1 ARG 32 -12.233 -4.756 -30.136 270 HE ARG 32 HE ARG 32 -14.190 -6.603 -29.293 271 HH11 ARG 32 HH11 ARG 32 -11.407 -4.861 -28.046 272 HH12 ARG 32 HH12 ARG 32 -11.935 -4.959 -26.399 273 HH21 ARG 32 HH21 ARG 32 -14.869 -6.727 -27.134 274 HH22 ARG 32 HH22 ARG 32 -13.903 -6.026 -25.872 275 H ARG 33 HN ARG 33 -14.116 -3.189 -34.807 276 HA ARG 33 HA ARG 33 -16.043 -1.201 -34.438 277 HB2 ARG 33 HB2 ARG 33 -15.556 -2.818 -36.954 278 HB3 ARG 33 HB1 ARG 33 -16.375 -1.263 -36.862 279 HG2 ARG 33 HG2 ARG 33 -14.223 -0.308 -35.950 280 HG3 ARG 33 HG1 ARG 33 -13.464 -1.846 -36.370 281 HD2 ARG 33 HD2 ARG 33 -13.065 -0.327 -38.172 282 HD3 ARG 33 HD1 ARG 33 -14.254 -1.509 -38.722 283 HE ARG 33 HE ARG 33 -14.878 1.266 -37.911 284 HH11 ARG 33 HH11 ARG 33 -15.572 -1.591 -39.826 285 HH12 ARG 33 HH12 ARG 33 -16.932 -0.872 -40.627 286 HH21 ARG 33 HH21 ARG 33 -16.635 2.215 -38.996 287 HH22 ARG 33 HH22 ARG 33 -17.513 1.297 -40.179 288 H ARG 34 HN ARG 34 -18.204 -1.182 -34.366 289 HA ARG 34 HA ARG 34 -19.542 -3.738 -33.998 290 HB2 ARG 34 HB2 ARG 34 -21.392 -2.422 -33.095 291 HB3 ARG 34 HB1 ARG 34 -19.877 -1.942 -32.340 292 HG2 ARG 34 HG2 ARG 34 -19.801 -0.013 -33.966 293 HG3 ARG 34 HG1 ARG 34 -21.440 -0.453 -34.446 294 HD2 ARG 34 HD2 ARG 34 -20.503 0.448 -31.720 295 HD3 ARG 34 HD1 ARG 34 -21.582 1.303 -32.825 296 HE ARG 34 HE ARG 34 -22.454 -1.309 -31.867 297 HH11 ARG 34 HH11 ARG 34 -22.737 2.171 -31.643 298 HH12 ARG 34 HH12 ARG 34 -24.216 2.115 -30.742 299 HH21 ARG 34 HH21 ARG 34 -24.383 -1.379 -30.676 300 HH22 ARG 34 HH22 ARG 34 -25.150 0.096 -30.185 301 H ILE 35 HN ILE 35 -21.499 -4.296 -35.082 302 HA ILE 35 HA ILE 35 -21.423 -4.132 -37.817 303 HB ILE 35 HB ILE 35 -22.593 -5.889 -36.590 304 HG12 ILE 35 HG12 ILE 35 -24.434 -4.328 -38.404 305 HG13 ILE 35 HG11 ILE 35 -23.192 -5.454 -38.924 306 HG21 ILE 35 HG21 ILE 35 -24.645 -3.777 -35.909 307 HG22 ILE 35 HG22 ILE 35 -23.529 -4.549 -34.782 308 HG23 ILE 35 HG23 ILE 35 -24.787 -5.503 -35.565 309 HD11 ILE 35 HD11 ILE 35 -25.361 -6.495 -39.047 310 HD12 ILE 35 HD12 ILE 35 -25.666 -6.128 -37.350 311 HD13 ILE 35 HD13 ILE 35 -24.398 -7.271 -37.793 312 H ARG 36 HN ARG 36 -23.167 -2.102 -35.530 313 HA ARG 36 HA ARG 36 -23.721 -0.155 -37.635 314 HB2 ARG 36 HB2 ARG 36 -25.792 -1.414 -35.828 315 HB3 ARG 36 HB1 ARG 36 -26.047 0.156 -36.578 316 HG2 ARG 36 HG2 ARG 36 -25.971 -0.796 -38.771 317 HG3 ARG 36 HG1 ARG 36 -25.449 -2.356 -38.132 318 HD2 ARG 36 HD2 ARG 36 -27.873 -2.235 -38.764 319 HD3 ARG 36 HD1 ARG 36 -27.561 -2.733 -37.100 320 HE ARG 36 HE ARG 36 -27.920 -0.002 -37.006 321 HH11 ARG 36 HH11 ARG 36 -29.842 -2.716 -38.111 322 HH12 ARG 36 HH12 ARG 36 -31.352 -1.991 -37.643 323 HH21 ARG 36 HH21 ARG 36 -29.907 0.932 -36.370 324 HH22 ARG 36 HH22 ARG 36 -31.381 0.056 -36.629 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -12.254 -7.140 -0.219 2 H2 ALA 1 HT2 ALA 1 -13.397 -8.386 -0.239 3 H3 ALA 1 HT3 ALA 1 -13.868 -6.815 0.162 4 HA ALA 1 HA ALA 1 -14.538 -7.407 -2.079 5 HB1 ALA 1 HB1 ALA 1 -12.396 -5.279 -1.971 6 HB2 ALA 1 HB2 ALA 1 -14.089 -5.064 -1.521 7 HB3 ALA 1 HB3 ALA 1 -13.661 -5.423 -3.194 8 H PHE 2 HN PHE 2 -14.009 -8.136 -4.137 9 HA PHE 2 HA PHE 2 -11.222 -8.903 -4.655 10 HB2 PHE 2 HB2 PHE 2 -13.621 -10.741 -4.918 11 HB3 PHE 2 HB1 PHE 2 -12.040 -11.091 -5.609 12 HD1 PHE 2 HD1 PHE 2 -14.055 -11.056 -2.595 13 HD2 PHE 2 HD2 PHE 2 -10.107 -11.511 -4.121 14 HE1 PHE 2 HE1 PHE 2 -13.348 -12.061 -0.466 15 HE2 PHE 2 HE2 PHE 2 -9.397 -12.517 -1.990 16 HZ PHE 2 HZ PHE 2 -11.021 -12.794 -0.159 17 H ILE 3 HN ILE 3 -11.492 -6.899 -5.886 18 HA ILE 3 HA ILE 3 -13.255 -6.842 -8.141 19 HB ILE 3 HB ILE 3 -12.046 -4.783 -8.782 20 HG12 ILE 3 HG12 ILE 3 -10.313 -5.380 -6.358 21 HG13 ILE 3 HG11 ILE 3 -9.787 -5.445 -8.037 22 HG21 ILE 3 HG21 ILE 3 -12.785 -4.882 -5.852 23 HG22 ILE 3 HG22 ILE 3 -13.907 -4.667 -7.196 24 HG23 ILE 3 HG23 ILE 3 -12.700 -3.430 -6.849 25 HD11 ILE 3 HD11 ILE 3 -10.675 -2.993 -6.533 26 HD12 ILE 3 HD12 ILE 3 -10.222 -3.031 -8.237 27 HD13 ILE 3 HD13 ILE 3 -9.025 -3.409 -6.998 28 H GLN 4 HN GLN 4 -12.569 -6.727 -10.359 29 HA GLN 4 HA GLN 4 -10.209 -8.413 -10.907 30 HB2 GLN 4 HB2 GLN 4 -12.738 -8.076 -12.552 31 HB3 GLN 4 HB1 GLN 4 -11.374 -9.110 -12.965 32 HG2 GLN 4 HG2 GLN 4 -11.780 -10.475 -10.990 33 HG3 GLN 4 HG1 GLN 4 -13.105 -9.414 -10.515 34 HE21 GLN 4 HE21 GLN 4 -14.603 -11.047 -10.541 35 HE22 GLN 4 HE22 GLN 4 -15.186 -11.761 -12.004 36 H LEU 5 HN LEU 5 -8.653 -7.616 -12.197 37 HA LEU 5 HA LEU 5 -8.805 -4.815 -12.865 38 HB2 LEU 5 HB2 LEU 5 -6.485 -4.858 -13.204 39 HB3 LEU 5 HB1 LEU 5 -6.773 -5.928 -11.848 40 HG LEU 5 HG LEU 5 -6.285 -6.879 -14.684 41 HD11 LEU 5 HD11 LEU 5 -4.041 -7.515 -13.867 42 HD12 LEU 5 HD12 LEU 5 -4.375 -6.672 -12.354 43 HD13 LEU 5 HD13 LEU 5 -4.300 -5.772 -13.869 44 HD21 LEU 5 HD21 LEU 5 -7.528 -8.504 -13.391 45 HD22 LEU 5 HD22 LEU 5 -6.384 -8.366 -12.054 46 HD23 LEU 5 HD23 LEU 5 -5.868 -9.060 -13.590 47 H SER 6 HN SER 6 -8.738 -3.896 -14.861 48 HA SER 6 HA SER 6 -8.992 -5.685 -17.193 49 HB2 SER 6 HB2 SER 6 -10.052 -2.860 -16.834 50 HB3 SER 6 HB1 SER 6 -10.271 -3.868 -18.266 51 HG SER 6 HG SER 6 -11.414 -5.357 -16.925 52 H LYS 7 HN LYS 7 -7.678 -5.279 -18.961 53 HA LYS 7 HA LYS 7 -5.685 -3.139 -18.687 54 HB2 LYS 7 HB2 LYS 7 -3.851 -4.625 -19.125 55 HB3 LYS 7 HB1 LYS 7 -4.757 -5.283 -17.775 56 HG2 LYS 7 HG2 LYS 7 -4.981 -6.256 -20.626 57 HG3 LYS 7 HG1 LYS 7 -3.969 -6.991 -19.384 58 HD2 LYS 7 HD2 LYS 7 -5.989 -7.427 -18.029 59 HD3 LYS 7 HD1 LYS 7 -6.983 -6.742 -19.317 60 HE2 LYS 7 HE2 LYS 7 -7.024 -9.142 -19.510 61 HE3 LYS 7 HE1 LYS 7 -6.091 -8.490 -20.856 62 HZ1 LYS 7 HZ1 LYS 7 -4.963 -10.375 -19.944 63 HZ2 LYS 7 HZ2 LYS 7 -5.011 -9.727 -18.385 64 HZ3 LYS 7 HZ3 LYS 7 -4.059 -8.993 -19.577 65 HA PRO 8 HA PRO 8 -6.313 -2.677 -23.069 66 HB2 PRO 8 HB2 PRO 8 -3.892 -1.795 -23.920 67 HB3 PRO 8 HB1 PRO 8 -4.972 -0.792 -22.944 68 HG2 PRO 8 HG2 PRO 8 -2.595 -2.405 -22.086 69 HG3 PRO 8 HG1 PRO 8 -3.056 -0.756 -21.617 70 HD2 PRO 8 HD2 PRO 8 -3.546 -2.920 -20.046 71 HD3 PRO 8 HD1 PRO 8 -4.601 -1.493 -20.065 72 H CYS 9 HN CYS 9 -4.725 -3.101 -25.189 73 HA CYS 9 HA CYS 9 -4.048 -5.967 -25.043 74 HB2 CYS 9 HB2 CYS 9 -5.197 -4.367 -27.348 75 HB3 CYS 9 HB1 CYS 9 -4.641 -6.033 -27.478 76 HG CYS 9 HG CYS 9 -6.805 -5.697 -25.000 77 H ILE 10 HN ILE 10 -2.755 -6.341 -27.342 78 HA ILE 10 HA ILE 10 -0.214 -5.090 -26.905 79 HB ILE 10 HB ILE 10 0.338 -6.460 -29.085 80 HG12 ILE 10 HG12 ILE 10 -1.119 -8.480 -29.299 81 HG13 ILE 10 HG11 ILE 10 -2.261 -7.747 -28.184 82 HG21 ILE 10 HG21 ILE 10 1.191 -6.977 -26.867 83 HG22 ILE 10 HG22 ILE 10 0.721 -8.455 -27.707 84 HG23 ILE 10 HG23 ILE 10 -0.322 -7.784 -26.454 85 HD11 ILE 10 HD11 ILE 10 -2.995 -7.534 -30.485 86 HD12 ILE 10 HD12 ILE 10 -1.511 -6.675 -30.894 87 HD13 ILE 10 HD13 ILE 10 -2.671 -5.953 -29.779 88 H SER 11 HN SER 11 1.007 -4.562 -29.131 89 HA SER 11 HA SER 11 -0.080 -2.045 -29.903 90 HB2 SER 11 HB2 SER 11 2.322 -3.491 -31.052 91 HB3 SER 11 HB1 SER 11 1.997 -1.759 -31.109 92 HG SER 11 HG SER 11 3.438 -2.192 -29.428 93 H ASP 12 HN ASP 12 -0.339 -1.334 -32.149 94 HA ASP 12 HA ASP 12 -2.309 -2.782 -33.480 95 HB2 ASP 12 HB2 ASP 12 -2.226 -1.099 -35.175 96 HB3 ASP 12 HB1 ASP 12 -1.829 -0.295 -33.659 97 H LYS 13 HN LYS 13 1.160 -2.631 -34.036 98 HA LYS 13 HA LYS 13 1.273 -4.018 -36.472 99 HB2 LYS 13 HB2 LYS 13 3.320 -4.035 -34.234 100 HB3 LYS 13 HB1 LYS 13 3.624 -4.450 -35.916 101 HG2 LYS 13 HG2 LYS 13 2.804 -1.732 -34.889 102 HG3 LYS 13 HG1 LYS 13 4.433 -2.207 -35.371 103 HD2 LYS 13 HD2 LYS 13 3.667 -2.582 -37.660 104 HD3 LYS 13 HD1 LYS 13 2.015 -2.180 -37.192 105 HE2 LYS 13 HE2 LYS 13 4.386 -0.310 -37.073 106 HE3 LYS 13 HE1 LYS 13 3.134 -0.304 -38.314 107 HZ1 LYS 13 HZ1 LYS 13 1.501 0.193 -36.585 108 HZ2 LYS 13 HZ2 LYS 13 2.693 1.384 -36.669 109 HZ3 LYS 13 HZ3 LYS 13 2.725 0.244 -35.421 110 H GLU 14 HN GLU 14 0.890 -5.093 -33.188 111 HA GLU 14 HA GLU 14 1.219 -7.903 -33.865 112 HB2 GLU 14 HB2 GLU 14 2.034 -6.910 -31.691 113 HB3 GLU 14 HB1 GLU 14 0.356 -6.667 -31.235 114 HG2 GLU 14 HG2 GLU 14 1.048 -8.645 -30.169 115 HG3 GLU 14 HG1 GLU 14 0.035 -9.152 -31.520 116 H CYS 15 HN CYS 15 -1.263 -5.521 -33.501 117 HA CYS 15 HA CYS 15 -3.487 -7.269 -33.150 118 HB2 CYS 15 HB2 CYS 15 -3.412 -4.464 -34.298 119 HB3 CYS 15 HB1 CYS 15 -4.854 -5.309 -33.746 120 HG CYS 15 HG CYS 15 -4.565 -4.907 -31.183 121 H SER 16 HN SER 16 -1.471 -7.426 -35.609 122 HA SER 16 HA SER 16 -3.094 -7.180 -37.916 123 HB2 SER 16 HB2 SER 16 -0.606 -7.157 -37.965 124 HB3 SER 16 HB1 SER 16 -0.598 -8.862 -37.520 125 HG SER 16 HG SER 16 -1.244 -9.412 -39.483 126 H ILE 17 HN ILE 17 -5.022 -8.256 -37.194 127 HA ILE 17 HA ILE 17 -4.953 -11.166 -36.973 128 HB ILE 17 HB ILE 17 -7.309 -9.254 -36.874 129 HG12 ILE 17 HG12 ILE 17 -5.832 -10.649 -34.618 130 HG13 ILE 17 HG11 ILE 17 -5.713 -8.936 -35.005 131 HG21 ILE 17 HG21 ILE 17 -7.992 -11.480 -37.574 132 HG22 ILE 17 HG22 ILE 17 -8.544 -11.163 -35.930 133 HG23 ILE 17 HG23 ILE 17 -7.140 -12.195 -36.201 134 HD11 ILE 17 HD11 ILE 17 -8.095 -8.670 -34.487 135 HD12 ILE 17 HD12 ILE 17 -7.170 -9.287 -33.117 136 HD13 ILE 17 HD13 ILE 17 -8.179 -10.382 -34.062 137 H VAL 18 HN VAL 18 -5.013 -12.358 -38.774 138 HA VAL 18 HA VAL 18 -5.800 -11.186 -41.298 139 HB VAL 18 HB VAL 18 -4.942 -14.040 -40.763 140 HG11 VAL 18 HG11 VAL 18 -6.039 -13.779 -42.912 141 HG12 VAL 18 HG12 VAL 18 -4.309 -14.017 -43.159 142 HG13 VAL 18 HG13 VAL 18 -5.011 -12.405 -43.310 143 HG21 VAL 18 HG21 VAL 18 -3.249 -11.650 -41.515 144 HG22 VAL 18 HG22 VAL 18 -2.682 -13.320 -41.449 145 HG23 VAL 18 HG23 VAL 18 -3.218 -12.508 -39.976 146 H LYS 19 HN LYS 19 -8.002 -10.843 -40.499 147 HA LYS 19 HA LYS 19 -9.737 -13.048 -41.335 148 HB2 LYS 19 HB2 LYS 19 -10.074 -11.478 -38.758 149 HB3 LYS 19 HB1 LYS 19 -11.347 -12.457 -39.475 150 HG2 LYS 19 HG2 LYS 19 -9.887 -14.446 -39.247 151 HG3 LYS 19 HG1 LYS 19 -8.692 -13.438 -38.427 152 HD2 LYS 19 HD2 LYS 19 -10.280 -12.947 -36.649 153 HD3 LYS 19 HD1 LYS 19 -11.538 -13.856 -37.491 154 HE2 LYS 19 HE2 LYS 19 -8.974 -14.975 -36.350 155 HE3 LYS 19 HE1 LYS 19 -10.594 -15.191 -35.691 156 HZ1 LYS 19 HZ1 LYS 19 -10.023 -17.132 -36.907 157 HZ2 LYS 19 HZ2 LYS 19 -9.554 -16.241 -38.262 158 HZ3 LYS 19 HZ3 LYS 19 -11.185 -16.304 -37.818 159 H ASN 20 HN ASN 20 -12.108 -12.064 -41.392 160 HA ASN 20 HA ASN 20 -12.014 -9.776 -43.130 161 HB2 ASN 20 HB2 ASN 20 -14.415 -11.230 -41.967 162 HB3 ASN 20 HB1 ASN 20 -14.462 -10.047 -43.270 163 HD21 ASN 20 HD21 ASN 20 -15.301 -11.422 -44.798 164 HD22 ASN 20 HD22 ASN 20 -14.421 -12.757 -45.451 165 H TYR 21 HN TYR 21 -12.605 -10.379 -39.783 166 HA TYR 21 HA TYR 21 -13.835 -7.855 -39.191 167 HB2 TYR 21 HB2 TYR 21 -12.489 -9.863 -37.359 168 HB3 TYR 21 HB1 TYR 21 -13.432 -8.475 -36.826 169 HD1 TYR 21 HD1 TYR 21 -13.556 -11.883 -38.087 170 HD2 TYR 21 HD2 TYR 21 -15.888 -8.419 -37.229 171 HE1 TYR 21 HE1 TYR 21 -15.600 -13.246 -38.153 172 HE2 TYR 21 HE2 TYR 21 -17.938 -9.778 -37.293 173 HH TYR 21 HH TYR 21 -17.876 -13.186 -37.271 174 H ARG 22 HN ARG 22 -12.866 -5.989 -38.503 175 HA ARG 22 HA ARG 22 -9.924 -5.968 -38.338 176 HB2 ARG 22 HB2 ARG 22 -10.859 -5.096 -40.542 177 HB3 ARG 22 HB1 ARG 22 -11.580 -3.785 -39.619 178 HG2 ARG 22 HG2 ARG 22 -9.498 -3.061 -40.629 179 HG3 ARG 22 HG1 ARG 22 -9.346 -3.083 -38.872 180 HD2 ARG 22 HD2 ARG 22 -7.360 -4.010 -39.980 181 HD3 ARG 22 HD1 ARG 22 -8.171 -5.205 -38.966 182 HE ARG 22 HE ARG 22 -8.858 -5.195 -41.803 183 HH11 ARG 22 HH11 ARG 22 -6.988 -6.657 -39.231 184 HH12 ARG 22 HH12 ARG 22 -6.710 -8.132 -40.095 185 HH21 ARG 22 HH21 ARG 22 -8.464 -7.106 -42.959 186 HH22 ARG 22 HH22 ARG 22 -7.504 -8.368 -42.249 187 H ALA 23 HN ALA 23 -9.106 -4.869 -36.647 188 HA ALA 23 HA ALA 23 -10.976 -3.362 -34.929 189 HB1 ALA 23 HB1 ALA 23 -10.199 -5.440 -33.903 190 HB2 ALA 23 HB2 ALA 23 -9.564 -4.040 -33.039 191 HB3 ALA 23 HB3 ALA 23 -8.523 -4.941 -34.141 192 H ARG 24 HN ARG 24 -9.719 -1.826 -33.434 193 HA ARG 24 HA ARG 24 -7.614 -0.409 -34.946 194 HB2 ARG 24 HB2 ARG 24 -9.746 0.855 -33.191 195 HB3 ARG 24 HB1 ARG 24 -8.521 1.704 -34.122 196 HG2 ARG 24 HG2 ARG 24 -10.798 0.075 -35.250 197 HG3 ARG 24 HG1 ARG 24 -10.700 1.836 -35.194 198 HD2 ARG 24 HD2 ARG 24 -8.878 -0.017 -36.733 199 HD3 ARG 24 HD1 ARG 24 -10.129 1.018 -37.417 200 HE ARG 24 HE ARG 24 -7.541 1.873 -36.326 201 HH11 ARG 24 HH11 ARG 24 -10.596 2.767 -37.793 202 HH12 ARG 24 HH12 ARG 24 -10.013 4.298 -38.362 203 HH21 ARG 24 HH21 ARG 24 -6.795 3.884 -37.046 204 HH22 ARG 24 HH22 ARG 24 -7.844 4.933 -37.944 205 H CYS 25 HN CYS 25 -5.760 -0.155 -33.806 206 HA CYS 25 HA CYS 25 -5.907 -0.358 -30.867 207 HB2 CYS 25 HB2 CYS 25 -3.739 -1.490 -32.653 208 HB3 CYS 25 HB1 CYS 25 -3.754 -1.544 -30.893 209 HG CYS 25 HG CYS 25 -6.548 -2.846 -31.612 210 H ARG 26 HN ARG 26 -4.877 1.165 -29.735 211 HA ARG 26 HA ARG 26 -2.725 2.749 -30.843 212 HB2 ARG 26 HB2 ARG 26 -4.777 3.838 -31.766 213 HB3 ARG 26 HB1 ARG 26 -5.347 4.089 -30.123 214 HG2 ARG 26 HG2 ARG 26 -3.372 5.507 -29.680 215 HG3 ARG 26 HG1 ARG 26 -2.878 5.300 -31.365 216 HD2 ARG 26 HD2 ARG 26 -5.053 6.281 -32.061 217 HD3 ARG 26 HD1 ARG 26 -5.425 6.578 -30.364 218 HE ARG 26 HE ARG 26 -2.983 7.752 -31.475 219 HH11 ARG 26 HH11 ARG 26 -6.206 8.158 -30.199 220 HH12 ARG 26 HH12 ARG 26 -6.129 9.889 -30.190 221 HH21 ARG 26 HH21 ARG 26 -2.870 10.046 -31.473 222 HH22 ARG 26 HH22 ARG 26 -4.221 10.966 -30.895 223 H LYS 27 HN LYS 27 -1.414 3.452 -29.212 224 HA LYS 27 HA LYS 27 -0.526 3.524 -27.106 225 HB2 LYS 27 HB2 LYS 27 -3.342 4.513 -26.628 226 HB3 LYS 27 HB1 LYS 27 -2.187 4.399 -25.309 227 HG2 LYS 27 HG2 LYS 27 -1.602 5.945 -27.820 228 HG3 LYS 27 HG1 LYS 27 -2.444 6.660 -26.445 229 HD2 LYS 27 HD2 LYS 27 0.232 5.300 -26.143 230 HD3 LYS 27 HD1 LYS 27 0.098 6.998 -26.596 231 HE2 LYS 27 HE2 LYS 27 0.444 6.797 -24.200 232 HE3 LYS 27 HE1 LYS 27 -1.160 7.447 -24.530 233 HZ1 LYS 27 HZ1 LYS 27 -1.175 5.761 -22.773 234 HZ2 LYS 27 HZ2 LYS 27 -0.581 4.610 -23.856 235 HZ3 LYS 27 HZ3 LYS 27 -2.112 5.284 -24.094 236 H GLY 28 HN GLY 28 -1.566 1.013 -28.047 237 HA2 GLY 28 HA2 GLY 28 -1.713 -1.129 -27.192 238 HA3 GLY 28 HA1 GLY 28 -1.671 -0.452 -25.571 239 H TYR 29 HN TYR 29 -4.018 1.347 -26.505 240 HA TYR 29 HA TYR 29 -6.055 -0.272 -25.410 241 HB2 TYR 29 HB2 TYR 29 -5.801 2.338 -25.477 242 HB3 TYR 29 HB1 TYR 29 -6.660 2.200 -27.008 243 HD1 TYR 29 HD1 TYR 29 -6.868 1.214 -23.447 244 HD2 TYR 29 HD2 TYR 29 -9.025 2.108 -27.006 245 HE1 TYR 29 HE1 TYR 29 -8.982 1.105 -22.186 246 HE2 TYR 29 HE2 TYR 29 -11.143 2.003 -25.756 247 HH TYR 29 HH TYR 29 -11.303 2.035 -22.400 248 H CYS 30 HN CYS 30 -7.620 -1.459 -26.354 249 HA CYS 30 HA CYS 30 -7.450 -1.797 -29.271 250 HB2 CYS 30 HB2 CYS 30 -8.521 -4.111 -28.584 251 HB3 CYS 30 HB1 CYS 30 -6.787 -3.846 -28.435 252 HG CYS 30 HG CYS 30 -6.662 -3.707 -25.779 253 H VAL 31 HN VAL 31 -9.111 -1.054 -30.346 254 HA VAL 31 HA VAL 31 -11.794 -0.993 -29.123 255 HB VAL 31 HB VAL 31 -10.712 0.725 -31.377 256 HG11 VAL 31 HG11 VAL 31 -12.788 2.024 -31.085 257 HG12 VAL 31 HG12 VAL 31 -13.350 0.840 -29.904 258 HG13 VAL 31 HG13 VAL 31 -13.105 0.363 -31.585 259 HG21 VAL 31 HG21 VAL 31 -11.250 1.452 -28.491 260 HG22 VAL 31 HG22 VAL 31 -10.789 2.584 -29.766 261 HG23 VAL 31 HG23 VAL 31 -9.665 1.321 -29.256 262 H ARG 32 HN ARG 32 -13.492 -1.908 -30.272 263 HA ARG 32 HA ARG 32 -12.927 -3.078 -32.903 264 HB2 ARG 32 HB2 ARG 32 -13.711 -5.269 -32.253 265 HB3 ARG 32 HB1 ARG 32 -12.428 -4.799 -31.145 266 HG2 ARG 32 HG2 ARG 32 -14.105 -4.176 -29.462 267 HG3 ARG 32 HG1 ARG 32 -15.391 -4.646 -30.576 268 HD2 ARG 32 HD2 ARG 32 -14.381 -6.959 -30.597 269 HD3 ARG 32 HD1 ARG 32 -13.318 -6.428 -29.291 270 HE ARG 32 HE ARG 32 -16.147 -6.036 -28.809 271 HH11 ARG 32 HH11 ARG 32 -13.396 -8.154 -28.402 272 HH12 ARG 32 HH12 ARG 32 -14.119 -9.048 -27.103 273 HH21 ARG 32 HH21 ARG 32 -17.120 -7.225 -27.115 274 HH22 ARG 32 HH22 ARG 32 -16.230 -8.512 -26.371 275 H ARG 33 HN ARG 33 -14.740 -3.257 -34.223 276 HA ARG 33 HA ARG 33 -17.153 -1.947 -33.398 277 HB2 ARG 33 HB2 ARG 33 -18.030 -2.582 -35.617 278 HB3 ARG 33 HB1 ARG 33 -16.472 -1.783 -35.727 279 HG2 ARG 33 HG2 ARG 33 -15.369 -3.865 -36.190 280 HG3 ARG 33 HG1 ARG 33 -16.852 -4.774 -35.886 281 HD2 ARG 33 HD2 ARG 33 -17.918 -3.541 -37.775 282 HD3 ARG 33 HD1 ARG 33 -16.353 -2.805 -38.118 283 HE ARG 33 HE ARG 33 -15.525 -4.962 -38.747 284 HH11 ARG 33 HH11 ARG 33 -18.985 -4.867 -38.161 285 HH12 ARG 33 HH12 ARG 33 -19.312 -6.289 -39.103 286 HH21 ARG 33 HH21 ARG 33 -15.963 -6.813 -40.014 287 HH22 ARG 33 HH22 ARG 33 -17.593 -7.377 -40.193 288 H ARG 34 HN ARG 34 -18.070 -3.005 -31.710 289 HA ARG 34 HA ARG 34 -18.303 -5.929 -31.860 290 HB2 ARG 34 HB2 ARG 34 -18.470 -5.923 -29.464 291 HB3 ARG 34 HB1 ARG 34 -17.100 -4.921 -29.921 292 HG2 ARG 34 HG2 ARG 34 -18.398 -2.904 -29.528 293 HG3 ARG 34 HG1 ARG 34 -19.830 -3.869 -29.161 294 HD2 ARG 34 HD2 ARG 34 -18.595 -4.885 -27.260 295 HD3 ARG 34 HD1 ARG 34 -17.242 -3.806 -27.601 296 HE ARG 34 HE ARG 34 -19.338 -2.112 -27.298 297 HH11 ARG 34 HH11 ARG 34 -18.032 -4.688 -25.326 298 HH12 ARG 34 HH12 ARG 34 -18.519 -3.966 -23.828 299 HH21 ARG 34 HH21 ARG 34 -19.987 -1.154 -25.343 300 HH22 ARG 34 HH22 ARG 34 -19.613 -1.931 -23.835 301 H ILE 35 HN ILE 35 -20.218 -6.963 -31.731 302 HA ILE 35 HA ILE 35 -22.680 -5.463 -31.368 303 HB ILE 35 HB ILE 35 -22.667 -7.044 -33.209 304 HG12 ILE 35 HG12 ILE 35 -24.496 -8.585 -32.495 305 HG13 ILE 35 HG11 ILE 35 -24.206 -8.070 -30.840 306 HG21 ILE 35 HG21 ILE 35 -21.851 -9.145 -31.192 307 HG22 ILE 35 HG22 ILE 35 -20.852 -8.500 -32.495 308 HG23 ILE 35 HG23 ILE 35 -22.284 -9.455 -32.874 309 HD11 ILE 35 HD11 ILE 35 -24.790 -5.773 -31.462 310 HD12 ILE 35 HD12 ILE 35 -26.105 -6.903 -31.775 311 HD13 ILE 35 HD13 ILE 35 -25.115 -6.314 -33.109 312 H ARG 36 HN ARG 36 -20.384 -7.411 -29.786 313 HA ARG 36 HA ARG 36 -22.090 -7.748 -27.406 314 HB2 ARG 36 HB2 ARG 36 -19.815 -9.512 -28.368 315 HB3 ARG 36 HB1 ARG 36 -20.681 -9.721 -26.852 316 HG2 ARG 36 HG2 ARG 36 -22.707 -10.265 -27.999 317 HG3 ARG 36 HG1 ARG 36 -22.000 -9.835 -29.557 318 HD2 ARG 36 HD2 ARG 36 -22.061 -12.243 -29.308 319 HD3 ARG 36 HD1 ARG 36 -20.393 -11.680 -29.325 320 HE ARG 36 HE ARG 36 -20.562 -11.886 -26.796 321 HH11 ARG 36 HH11 ARG 36 -22.406 -13.890 -28.995 322 HH12 ARG 36 HH12 ARG 36 -22.494 -15.236 -27.902 323 HH21 ARG 36 HH21 ARG 36 -20.633 -13.680 -25.366 324 HH22 ARG 36 HH22 ARG 36 -21.471 -15.124 -25.850 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -28.470 -6.242 -16.923 2 H2 ALA 1 HT2 ALA 1 -28.444 -6.757 -15.314 3 H3 ALA 1 HT3 ALA 1 -28.273 -7.883 -16.564 4 HA ALA 1 HA ALA 1 -26.362 -5.734 -15.864 5 HB1 ALA 1 HB1 ALA 1 -26.097 -8.737 -15.630 6 HB2 ALA 1 HB2 ALA 1 -26.383 -7.627 -14.289 7 HB3 ALA 1 HB3 ALA 1 -24.873 -7.541 -15.196 8 H PHE 2 HN PHE 2 -24.530 -5.577 -17.201 9 HA PHE 2 HA PHE 2 -24.646 -7.021 -19.766 10 HB2 PHE 2 HB2 PHE 2 -24.125 -4.054 -19.384 11 HB3 PHE 2 HB1 PHE 2 -23.937 -4.919 -20.906 12 HD1 PHE 2 HD1 PHE 2 -26.258 -3.309 -18.644 13 HD2 PHE 2 HD2 PHE 2 -25.946 -5.875 -22.033 14 HE1 PHE 2 HE1 PHE 2 -28.616 -2.878 -19.189 15 HE2 PHE 2 HE2 PHE 2 -28.303 -5.440 -22.581 16 HZ PHE 2 HZ PHE 2 -29.640 -3.940 -21.158 17 H ILE 3 HN ILE 3 -22.891 -8.314 -19.555 18 HA ILE 3 HA ILE 3 -20.487 -7.442 -18.248 19 HB ILE 3 HB ILE 3 -20.946 -9.908 -19.960 20 HG12 ILE 3 HG12 ILE 3 -21.002 -9.565 -16.944 21 HG13 ILE 3 HG11 ILE 3 -22.405 -9.836 -17.971 22 HG21 ILE 3 HG21 ILE 3 -18.923 -10.793 -18.884 23 HG22 ILE 3 HG22 ILE 3 -18.703 -9.262 -18.036 24 HG23 ILE 3 HG23 ILE 3 -18.574 -9.321 -19.794 25 HD11 ILE 3 HD11 ILE 3 -21.756 -11.876 -16.845 26 HD12 ILE 3 HD12 ILE 3 -20.131 -11.760 -17.519 27 HD13 ILE 3 HD13 ILE 3 -21.510 -12.039 -18.584 28 H GLN 4 HN GLN 4 -19.794 -5.628 -19.366 29 HA GLN 4 HA GLN 4 -19.366 -5.624 -22.185 30 HB2 GLN 4 HB2 GLN 4 -18.216 -3.485 -21.855 31 HB3 GLN 4 HB1 GLN 4 -19.755 -3.516 -21.018 32 HG2 GLN 4 HG2 GLN 4 -17.057 -3.885 -19.713 33 HG3 GLN 4 HG1 GLN 4 -17.973 -2.386 -19.747 34 HE21 GLN 4 HE21 GLN 4 -19.859 -2.221 -18.493 35 HE22 GLN 4 HE22 GLN 4 -20.183 -3.310 -17.188 36 H LEU 5 HN LEU 5 -18.194 -7.455 -22.617 37 HA LEU 5 HA LEU 5 -15.685 -8.027 -21.372 38 HB2 LEU 5 HB2 LEU 5 -17.313 -9.688 -22.419 39 HB3 LEU 5 HB1 LEU 5 -16.721 -9.158 -23.979 40 HG LEU 5 HG LEU 5 -14.926 -10.356 -21.856 41 HD11 LEU 5 HD11 LEU 5 -15.065 -12.454 -23.129 42 HD12 LEU 5 HD12 LEU 5 -16.310 -11.741 -24.155 43 HD13 LEU 5 HD13 LEU 5 -16.619 -11.995 -22.437 44 HD21 LEU 5 HD21 LEU 5 -13.744 -9.054 -23.544 45 HD22 LEU 5 HD22 LEU 5 -14.541 -9.960 -24.830 46 HD23 LEU 5 HD23 LEU 5 -13.412 -10.772 -23.744 47 H SER 6 HN SER 6 -13.904 -6.921 -21.728 48 HA SER 6 HA SER 6 -13.009 -6.440 -24.448 49 HB2 SER 6 HB2 SER 6 -13.077 -4.187 -22.429 50 HB3 SER 6 HB1 SER 6 -12.428 -4.100 -24.062 51 HG SER 6 HG SER 6 -14.858 -4.979 -24.361 52 H LYS 7 HN LYS 7 -10.891 -6.771 -24.626 53 HA LYS 7 HA LYS 7 -9.345 -7.235 -22.159 54 HB2 LYS 7 HB2 LYS 7 -9.275 -8.755 -24.781 55 HB3 LYS 7 HB1 LYS 7 -8.120 -8.989 -23.474 56 HG2 LYS 7 HG2 LYS 7 -9.866 -9.788 -22.008 57 HG3 LYS 7 HG1 LYS 7 -11.097 -9.426 -23.221 58 HD2 LYS 7 HD2 LYS 7 -10.193 -11.109 -24.710 59 HD3 LYS 7 HD1 LYS 7 -8.838 -11.402 -23.616 60 HE2 LYS 7 HE2 LYS 7 -11.749 -11.903 -22.989 61 HE3 LYS 7 HE1 LYS 7 -10.569 -13.136 -23.431 62 HZ1 LYS 7 HZ1 LYS 7 -10.843 -13.070 -21.055 63 HZ2 LYS 7 HZ2 LYS 7 -10.483 -11.416 -21.012 64 HZ3 LYS 7 HZ3 LYS 7 -9.290 -12.528 -21.446 65 HA PRO 8 HA PRO 8 -6.784 -3.937 -23.787 66 HB2 PRO 8 HB2 PRO 8 -4.535 -4.557 -22.257 67 HB3 PRO 8 HB1 PRO 8 -5.877 -3.538 -21.724 68 HG2 PRO 8 HG2 PRO 8 -5.370 -6.441 -21.185 69 HG3 PRO 8 HG1 PRO 8 -5.988 -5.188 -20.091 70 HD2 PRO 8 HD2 PRO 8 -7.636 -6.977 -21.211 71 HD3 PRO 8 HD1 PRO 8 -8.139 -5.285 -20.999 72 H CYS 9 HN CYS 9 -5.685 -3.961 -25.654 73 HA CYS 9 HA CYS 9 -4.040 -6.332 -26.294 74 HB2 CYS 9 HB2 CYS 9 -4.739 -5.982 -28.675 75 HB3 CYS 9 HB1 CYS 9 -6.055 -6.439 -27.600 76 HG CYS 9 HG CYS 9 -6.110 -3.250 -27.509 77 H ILE 10 HN ILE 10 -2.570 -5.828 -28.247 78 HA ILE 10 HA ILE 10 -0.871 -3.640 -27.361 79 HB ILE 10 HB ILE 10 -0.189 -5.601 -29.559 80 HG12 ILE 10 HG12 ILE 10 -1.071 -6.954 -27.721 81 HG13 ILE 10 HG11 ILE 10 0.670 -7.164 -27.843 82 HG21 ILE 10 HG21 ILE 10 1.390 -3.958 -27.592 83 HG22 ILE 10 HG22 ILE 10 1.548 -4.056 -29.349 84 HG23 ILE 10 HG23 ILE 10 2.091 -5.389 -28.344 85 HD11 ILE 10 HD11 ILE 10 -0.044 -7.014 -25.535 86 HD12 ILE 10 HD12 ILE 10 -0.766 -5.434 -25.840 87 HD13 ILE 10 HD13 ILE 10 0.981 -5.646 -25.960 88 H SER 11 HN SER 11 0.416 -2.605 -29.383 89 HA SER 11 HA SER 11 -1.283 -0.779 -30.551 90 HB2 SER 11 HB2 SER 11 1.434 -1.607 -31.603 91 HB3 SER 11 HB1 SER 11 0.648 -0.039 -31.808 92 HG SER 11 HG SER 11 2.189 -0.893 -29.793 93 H ASP 12 HN ASP 12 -1.543 -0.323 -32.910 94 HA ASP 12 HA ASP 12 -3.230 -2.222 -33.993 95 HB2 ASP 12 HB2 ASP 12 -3.275 -0.821 -36.025 96 HB3 ASP 12 HB1 ASP 12 -3.428 0.128 -34.551 97 H LYS 13 HN LYS 13 0.192 -1.712 -34.700 98 HA LYS 13 HA LYS 13 0.334 -3.291 -37.005 99 HB2 LYS 13 HB2 LYS 13 2.753 -3.489 -36.525 100 HB3 LYS 13 HB1 LYS 13 2.150 -1.841 -36.457 101 HG2 LYS 13 HG2 LYS 13 2.070 -2.009 -33.989 102 HG3 LYS 13 HG1 LYS 13 2.787 -3.619 -34.109 103 HD2 LYS 13 HD2 LYS 13 4.478 -1.926 -33.633 104 HD3 LYS 13 HD1 LYS 13 4.760 -2.668 -35.204 105 HE2 LYS 13 HE2 LYS 13 3.621 -0.731 -36.265 106 HE3 LYS 13 HE1 LYS 13 3.477 0.017 -34.674 107 HZ1 LYS 13 HZ1 LYS 13 5.895 0.024 -34.518 108 HZ2 LYS 13 HZ2 LYS 13 5.367 0.888 -35.870 109 HZ3 LYS 13 HZ3 LYS 13 6.012 -0.665 -36.056 110 H GLU 14 HN GLU 14 0.052 -4.182 -33.690 111 HA GLU 14 HA GLU 14 0.599 -7.006 -34.232 112 HB2 GLU 14 HB2 GLU 14 -0.441 -5.747 -31.678 113 HB3 GLU 14 HB1 GLU 14 0.280 -7.340 -31.862 114 HG2 GLU 14 HG2 GLU 14 1.713 -4.710 -32.213 115 HG3 GLU 14 HG1 GLU 14 1.791 -5.745 -30.790 116 H CYS 15 HN CYS 15 -2.002 -4.792 -33.453 117 HA CYS 15 HA CYS 15 -4.145 -6.463 -32.986 118 HB2 CYS 15 HB2 CYS 15 -4.081 -3.962 -32.775 119 HB3 CYS 15 HB1 CYS 15 -4.233 -3.859 -34.523 120 HG CYS 15 HG CYS 15 -6.611 -5.566 -32.828 121 H SER 16 HN SER 16 -3.202 -5.049 -36.121 122 HA SER 16 HA SER 16 -4.638 -7.256 -37.439 123 HB2 SER 16 HB2 SER 16 -4.991 -5.662 -39.356 124 HB3 SER 16 HB1 SER 16 -5.860 -5.237 -37.884 125 HG SER 16 HG SER 16 -3.309 -4.147 -38.390 126 H ILE 17 HN ILE 17 -2.769 -8.524 -37.484 127 HA ILE 17 HA ILE 17 -0.872 -7.711 -39.592 128 HB ILE 17 HB ILE 17 0.359 -7.883 -37.509 129 HG12 ILE 17 HG12 ILE 17 0.856 -10.313 -39.259 130 HG13 ILE 17 HG11 ILE 17 1.478 -8.694 -39.548 131 HG21 ILE 17 HG21 ILE 17 -1.183 -9.307 -36.258 132 HG22 ILE 17 HG22 ILE 17 0.462 -9.938 -36.190 133 HG23 ILE 17 HG23 ILE 17 -0.729 -10.691 -37.253 134 HD11 ILE 17 HD11 ILE 17 2.170 -10.476 -37.220 135 HD12 ILE 17 HD12 ILE 17 2.774 -8.837 -37.471 136 HD13 ILE 17 HD13 ILE 17 3.192 -10.116 -38.611 137 H VAL 18 HN VAL 18 -2.617 -10.394 -38.074 138 HA VAL 18 HA VAL 18 -2.147 -12.184 -40.273 139 HB VAL 18 HB VAL 18 -2.429 -13.111 -38.047 140 HG11 VAL 18 HG11 VAL 18 -4.596 -13.053 -36.879 141 HG12 VAL 18 HG12 VAL 18 -5.224 -11.957 -38.112 142 HG13 VAL 18 HG13 VAL 18 -3.899 -11.446 -37.065 143 HG21 VAL 18 HG21 VAL 18 -4.129 -14.821 -38.517 144 HG22 VAL 18 HG22 VAL 18 -3.107 -14.510 -39.920 145 HG23 VAL 18 HG23 VAL 18 -4.737 -13.843 -39.849 146 H LYS 19 HN LYS 19 -4.764 -10.118 -39.165 147 HA LYS 19 HA LYS 19 -6.054 -10.365 -41.788 148 HB2 LYS 19 HB2 LYS 19 -7.506 -10.491 -39.125 149 HB3 LYS 19 HB1 LYS 19 -8.286 -10.372 -40.697 150 HG2 LYS 19 HG2 LYS 19 -7.304 -12.548 -41.323 151 HG3 LYS 19 HG1 LYS 19 -6.598 -12.669 -39.710 152 HD2 LYS 19 HD2 LYS 19 -9.555 -12.474 -40.326 153 HD3 LYS 19 HD1 LYS 19 -8.693 -13.956 -39.914 154 HE2 LYS 19 HE2 LYS 19 -8.107 -12.966 -37.717 155 HE3 LYS 19 HE1 LYS 19 -9.055 -11.537 -38.135 156 HZ1 LYS 19 HZ1 LYS 19 -10.130 -14.302 -37.930 157 HZ2 LYS 19 HZ2 LYS 19 -11.029 -12.906 -38.258 158 HZ3 LYS 19 HZ3 LYS 19 -10.298 -13.102 -36.747 159 H ASN 20 HN ASN 20 -5.650 -8.389 -42.557 160 HA ASN 20 HA ASN 20 -6.069 -6.068 -40.801 161 HB2 ASN 20 HB2 ASN 20 -4.759 -4.825 -42.598 162 HB3 ASN 20 HB1 ASN 20 -3.856 -5.999 -41.648 163 HD21 ASN 20 HD21 ASN 20 -5.139 -5.217 -44.778 164 HD22 ASN 20 HD22 ASN 20 -4.302 -6.458 -45.646 165 H TYR 21 HN TYR 21 -8.351 -6.278 -41.065 166 HA TYR 21 HA TYR 21 -9.326 -5.143 -43.605 167 HB2 TYR 21 HB2 TYR 21 -11.581 -6.051 -42.924 168 HB3 TYR 21 HB1 TYR 21 -10.375 -7.274 -43.291 169 HD1 TYR 21 HD1 TYR 21 -9.074 -8.236 -41.209 170 HD2 TYR 21 HD2 TYR 21 -12.837 -6.250 -40.946 171 HE1 TYR 21 HE1 TYR 21 -9.487 -9.315 -39.041 172 HE2 TYR 21 HE2 TYR 21 -13.249 -7.321 -38.770 173 HH TYR 21 HH TYR 21 -10.827 -8.917 -37.010 174 H ARG 22 HN ARG 22 -10.465 -5.221 -40.221 175 HA ARG 22 HA ARG 22 -10.212 -2.352 -39.978 176 HB2 ARG 22 HB2 ARG 22 -12.908 -3.730 -39.854 177 HB3 ARG 22 HB1 ARG 22 -12.607 -2.159 -39.126 178 HG2 ARG 22 HG2 ARG 22 -11.998 -1.279 -41.355 179 HG3 ARG 22 HG1 ARG 22 -12.407 -2.844 -42.059 180 HD2 ARG 22 HD2 ARG 22 -14.239 -1.200 -42.277 181 HD3 ARG 22 HD1 ARG 22 -14.709 -2.610 -41.326 182 HE ARG 22 HE ARG 22 -13.804 -0.715 -39.525 183 HH11 ARG 22 HH11 ARG 22 -16.360 -0.848 -41.922 184 HH12 ARG 22 HH12 ARG 22 -17.467 0.084 -40.966 185 HH21 ARG 22 HH21 ARG 22 -15.257 0.542 -38.298 186 HH22 ARG 22 HH22 ARG 22 -16.845 0.868 -38.916 187 H ALA 23 HN ALA 23 -8.670 -2.979 -38.433 188 HA ALA 23 HA ALA 23 -9.837 -3.619 -35.822 189 HB1 ALA 23 HB1 ALA 23 -8.964 -5.747 -36.713 190 HB2 ALA 23 HB2 ALA 23 -8.060 -5.207 -35.299 191 HB3 ALA 23 HB3 ALA 23 -7.376 -5.005 -36.913 192 H ARG 24 HN ARG 24 -9.254 -2.054 -34.475 193 HA ARG 24 HA ARG 24 -6.675 -0.690 -34.883 194 HB2 ARG 24 HB2 ARG 24 -9.293 0.608 -34.070 195 HB3 ARG 24 HB1 ARG 24 -7.743 1.423 -34.242 196 HG2 ARG 24 HG2 ARG 24 -7.729 0.978 -36.620 197 HG3 ARG 24 HG1 ARG 24 -9.222 0.050 -36.481 198 HD2 ARG 24 HD2 ARG 24 -9.708 2.266 -37.326 199 HD3 ARG 24 HD1 ARG 24 -10.388 2.077 -35.711 200 HE ARG 24 HE ARG 24 -7.763 3.293 -35.771 201 HH11 ARG 24 HH11 ARG 24 -11.216 3.852 -35.899 202 HH12 ARG 24 HH12 ARG 24 -11.104 5.503 -35.372 203 HH21 ARG 24 HH21 ARG 24 -7.604 5.470 -35.078 204 HH22 ARG 24 HH22 ARG 24 -9.047 6.423 -34.905 205 H CYS 25 HN CYS 25 -5.568 -1.618 -33.269 206 HA CYS 25 HA CYS 25 -6.588 -1.302 -30.520 207 HB2 CYS 25 HB2 CYS 25 -4.422 -3.163 -31.540 208 HB3 CYS 25 HB1 CYS 25 -5.015 -3.071 -29.887 209 HG CYS 25 HG CYS 25 -7.246 -4.412 -30.205 210 H ARG 26 HN ARG 26 -5.194 -0.288 -28.991 211 HA ARG 26 HA ARG 26 -2.652 0.769 -29.701 212 HB2 ARG 26 HB2 ARG 26 -3.967 2.065 -31.278 213 HB3 ARG 26 HB1 ARG 26 -5.056 2.578 -30.003 214 HG2 ARG 26 HG2 ARG 26 -3.373 3.961 -29.023 215 HG3 ARG 26 HG1 ARG 26 -2.133 3.307 -30.100 216 HD2 ARG 26 HD2 ARG 26 -3.155 4.310 -32.011 217 HD3 ARG 26 HD1 ARG 26 -4.587 4.758 -31.087 218 HE ARG 26 HE ARG 26 -3.015 6.264 -29.817 219 HH11 ARG 26 HH11 ARG 26 -2.389 5.353 -33.147 220 HH12 ARG 26 HH12 ARG 26 -1.602 6.852 -33.530 221 HH21 ARG 26 HH21 ARG 26 -2.015 8.223 -30.316 222 HH22 ARG 26 HH22 ARG 26 -1.381 8.492 -31.910 223 H LYS 27 HN LYS 27 -1.631 1.170 -27.868 224 HA LYS 27 HA LYS 27 -1.162 1.550 -25.686 225 HB2 LYS 27 HB2 LYS 27 -3.352 3.546 -26.217 226 HB3 LYS 27 HB1 LYS 27 -2.586 3.444 -24.636 227 HG2 LYS 27 HG2 LYS 27 -0.403 3.878 -25.655 228 HG3 LYS 27 HG1 LYS 27 -1.164 3.983 -27.244 229 HD2 LYS 27 HD2 LYS 27 -2.288 5.980 -26.695 230 HD3 LYS 27 HD1 LYS 27 -2.019 5.756 -24.964 231 HE2 LYS 27 HE2 LYS 27 0.139 6.315 -27.007 232 HE3 LYS 27 HE1 LYS 27 -0.566 7.509 -25.916 233 HZ1 LYS 27 HZ1 LYS 27 1.494 6.707 -25.011 234 HZ2 LYS 27 HZ2 LYS 27 0.986 5.100 -25.128 235 HZ3 LYS 27 HZ3 LYS 27 0.224 6.150 -24.045 236 H GLY 28 HN GLY 28 -2.897 -0.654 -26.192 237 HA2 GLY 28 HA2 GLY 28 -3.667 -2.227 -24.619 238 HA3 GLY 28 HA1 GLY 28 -4.021 -0.916 -23.502 239 H TYR 29 HN TYR 29 -5.358 0.560 -25.793 240 HA TYR 29 HA TYR 29 -7.984 -0.465 -25.227 241 HB2 TYR 29 HB2 TYR 29 -7.181 1.747 -27.143 242 HB3 TYR 29 HB1 TYR 29 -8.799 1.445 -26.516 243 HD1 TYR 29 HD1 TYR 29 -6.060 3.536 -26.179 244 HD2 TYR 29 HD2 TYR 29 -8.800 1.318 -23.783 245 HE1 TYR 29 HE1 TYR 29 -5.609 5.034 -24.284 246 HE2 TYR 29 HE2 TYR 29 -8.354 2.817 -21.885 247 HH TYR 29 HH TYR 29 -6.377 4.336 -21.158 248 H CYS 30 HN CYS 30 -9.536 -1.096 -26.848 249 HA CYS 30 HA CYS 30 -8.329 -2.290 -29.249 250 HB2 CYS 30 HB2 CYS 30 -10.228 -3.747 -27.398 251 HB3 CYS 30 HB1 CYS 30 -9.392 -4.406 -28.801 252 HG CYS 30 HG CYS 30 -8.016 -5.555 -26.818 253 H VAL 31 HN VAL 31 -9.476 -1.888 -31.019 254 HA VAL 31 HA VAL 31 -12.405 -1.650 -30.818 255 HB VAL 31 HB VAL 31 -10.670 0.026 -32.648 256 HG11 VAL 31 HG11 VAL 31 -12.839 -0.505 -33.620 257 HG12 VAL 31 HG12 VAL 31 -12.761 1.202 -33.185 258 HG13 VAL 31 HG13 VAL 31 -13.650 0.073 -32.164 259 HG21 VAL 31 HG21 VAL 31 -10.442 0.782 -30.331 260 HG22 VAL 31 HG22 VAL 31 -12.195 0.874 -30.178 261 HG23 VAL 31 HG23 VAL 31 -11.351 1.953 -31.288 262 H ARG 32 HN ARG 32 -13.219 -3.308 -31.863 263 HA ARG 32 HA ARG 32 -12.250 -3.996 -34.534 264 HB2 ARG 32 HB2 ARG 32 -11.273 -5.539 -32.639 265 HB3 ARG 32 HB1 ARG 32 -12.888 -6.226 -32.599 266 HG2 ARG 32 HG2 ARG 32 -11.085 -6.133 -35.025 267 HG3 ARG 32 HG1 ARG 32 -11.337 -7.532 -33.986 268 HD2 ARG 32 HD2 ARG 32 -13.481 -6.157 -35.617 269 HD3 ARG 32 HD1 ARG 32 -12.658 -7.652 -36.065 270 HE ARG 32 HE ARG 32 -13.823 -7.926 -33.502 271 HH11 ARG 32 HH11 ARG 32 -14.733 -7.711 -36.879 272 HH12 ARG 32 HH12 ARG 32 -16.147 -8.694 -36.695 273 HH21 ARG 32 HH21 ARG 32 -15.713 -9.178 -33.246 274 HH22 ARG 32 HH22 ARG 32 -16.714 -9.520 -34.625 275 H ARG 33 HN ARG 33 -13.999 -3.825 -35.799 276 HA ARG 33 HA ARG 33 -16.635 -4.427 -34.652 277 HB2 ARG 33 HB2 ARG 33 -15.741 -1.880 -34.747 278 HB3 ARG 33 HB1 ARG 33 -16.427 -1.999 -36.359 279 HG2 ARG 33 HG2 ARG 33 -18.590 -2.596 -35.428 280 HG3 ARG 33 HG1 ARG 33 -17.914 -2.580 -33.799 281 HD2 ARG 33 HD2 ARG 33 -17.273 -0.145 -34.293 282 HD3 ARG 33 HD1 ARG 33 -18.370 -0.269 -35.667 283 HE ARG 33 HE ARG 33 -19.354 -0.906 -32.975 284 HH11 ARG 33 HH11 ARG 33 -19.543 1.030 -35.890 285 HH12 ARG 33 HH12 ARG 33 -20.858 1.999 -35.297 286 HH21 ARG 33 HH21 ARG 33 -21.107 0.333 -32.226 287 HH22 ARG 33 HH22 ARG 33 -21.743 1.617 -33.212 288 H ARG 34 HN ARG 34 -18.185 -3.607 -36.720 289 HA ARG 34 HA ARG 34 -17.542 -5.571 -38.805 290 HB2 ARG 34 HB2 ARG 34 -20.056 -5.429 -39.222 291 HB3 ARG 34 HB1 ARG 34 -19.573 -6.130 -37.682 292 HG2 ARG 34 HG2 ARG 34 -19.979 -3.927 -36.607 293 HG3 ARG 34 HG1 ARG 34 -20.582 -3.323 -38.146 294 HD2 ARG 34 HD2 ARG 34 -22.428 -4.827 -38.094 295 HD3 ARG 34 HD1 ARG 34 -21.738 -5.730 -36.745 296 HE ARG 34 HE ARG 34 -22.019 -3.157 -35.823 297 HH11 ARG 34 HH11 ARG 34 -24.199 -5.570 -37.111 298 HH12 ARG 34 HH12 ARG 34 -25.542 -5.038 -36.149 299 HH21 ARG 34 HH21 ARG 34 -23.772 -2.476 -34.553 300 HH22 ARG 34 HH22 ARG 34 -25.303 -3.281 -34.704 301 H ILE 35 HN ILE 35 -19.304 -4.744 -40.756 302 HA ILE 35 HA ILE 35 -17.937 -2.905 -42.258 303 HB ILE 35 HB ILE 35 -19.576 -4.526 -43.125 304 HG12 ILE 35 HG12 ILE 35 -20.226 -1.660 -43.839 305 HG13 ILE 35 HG11 ILE 35 -18.904 -2.611 -44.498 306 HG21 ILE 35 HG21 ILE 35 -21.668 -2.676 -41.975 307 HG22 ILE 35 HG22 ILE 35 -21.286 -4.297 -41.401 308 HG23 ILE 35 HG23 ILE 35 -21.980 -4.074 -43.005 309 HD11 ILE 35 HD11 ILE 35 -20.508 -4.146 -45.513 310 HD12 ILE 35 HD12 ILE 35 -20.757 -2.486 -46.057 311 HD13 ILE 35 HD13 ILE 35 -21.836 -3.190 -44.853 312 H ARG 36 HN ARG 36 -20.229 -2.307 -39.729 313 HA ARG 36 HA ARG 36 -20.618 0.478 -40.512 314 HB2 ARG 36 HB2 ARG 36 -21.771 -1.168 -38.248 315 HB3 ARG 36 HB1 ARG 36 -22.127 0.535 -38.501 316 HG2 ARG 36 HG2 ARG 36 -22.696 -1.617 -40.540 317 HG3 ARG 36 HG1 ARG 36 -23.864 -1.048 -39.348 318 HD2 ARG 36 HD2 ARG 36 -24.261 0.072 -41.448 319 HD3 ARG 36 HD1 ARG 36 -23.656 1.237 -40.274 320 HE ARG 36 HE ARG 36 -21.769 0.022 -42.162 321 HH11 ARG 36 HH11 ARG 36 -23.492 2.846 -41.014 322 HH12 ARG 36 HH12 ARG 36 -22.608 3.952 -42.016 323 HH21 ARG 36 HH21 ARG 36 -20.583 1.477 -43.463 324 HH22 ARG 36 HH22 ARG 36 -20.942 3.174 -43.400 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -5.994 -0.577 -0.332 2 H2 ALA 1 HT2 ALA 1 -5.355 0.981 -0.182 3 H3 ALA 1 HT3 ALA 1 -4.664 -0.115 -1.269 4 HA ALA 1 HA ALA 1 -7.373 1.057 -1.451 5 HB1 ALA 1 HB1 ALA 1 -4.931 1.476 -3.185 6 HB2 ALA 1 HB2 ALA 1 -5.570 2.625 -2.009 7 HB3 ALA 1 HB3 ALA 1 -6.519 2.200 -3.431 8 H PHE 2 HN PHE 2 -8.355 0.579 -3.630 9 HA PHE 2 HA PHE 2 -7.914 -2.275 -4.237 10 HB2 PHE 2 HB2 PHE 2 -10.445 -0.623 -4.456 11 HB3 PHE 2 HB1 PHE 2 -10.303 -2.325 -4.886 12 HD1 PHE 2 HD1 PHE 2 -10.695 0.058 -2.185 13 HD2 PHE 2 HD2 PHE 2 -9.880 -4.021 -3.122 14 HE1 PHE 2 HE1 PHE 2 -11.219 -0.580 0.135 15 HE2 PHE 2 HE2 PHE 2 -10.403 -4.660 -0.808 16 HZ PHE 2 HZ PHE 2 -11.075 -2.940 0.823 17 H ILE 3 HN ILE 3 -6.649 0.154 -5.500 18 HA ILE 3 HA ILE 3 -7.707 0.349 -8.145 19 HB ILE 3 HB ILE 3 -5.044 1.192 -6.978 20 HG12 ILE 3 HG12 ILE 3 -5.935 3.487 -7.500 21 HG13 ILE 3 HG11 ILE 3 -7.460 2.743 -7.957 22 HG21 ILE 3 HG21 ILE 3 -4.636 0.585 -9.295 23 HG22 ILE 3 HG22 ILE 3 -4.578 2.336 -9.108 24 HG23 ILE 3 HG23 ILE 3 -5.999 1.575 -9.822 25 HD11 ILE 3 HD11 ILE 3 -7.749 1.928 -5.682 26 HD12 ILE 3 HD12 ILE 3 -7.541 3.679 -5.719 27 HD13 ILE 3 HD13 ILE 3 -6.203 2.644 -5.228 28 H GLN 4 HN GLN 4 -7.758 -1.407 -9.389 29 HA GLN 4 HA GLN 4 -5.584 -3.342 -9.348 30 HB2 GLN 4 HB2 GLN 4 -6.987 -4.650 -10.878 31 HB3 GLN 4 HB1 GLN 4 -7.887 -4.179 -9.443 32 HG2 GLN 4 HG2 GLN 4 -8.989 -2.401 -10.696 33 HG3 GLN 4 HG1 GLN 4 -8.060 -2.827 -12.133 34 HE21 GLN 4 HE21 GLN 4 -9.924 -3.245 -13.315 35 HE22 GLN 4 HE22 GLN 4 -10.890 -4.653 -13.056 36 H LEU 5 HN LEU 5 -4.623 -4.049 -11.421 37 HA LEU 5 HA LEU 5 -3.624 -1.761 -12.836 38 HB2 LEU 5 HB2 LEU 5 -3.112 -4.728 -13.148 39 HB3 LEU 5 HB1 LEU 5 -2.353 -3.519 -14.165 40 HG LEU 5 HG LEU 5 -0.795 -4.181 -12.461 41 HD11 LEU 5 HD11 LEU 5 -1.904 -1.458 -11.788 42 HD12 LEU 5 HD12 LEU 5 -0.782 -1.821 -13.101 43 HD13 LEU 5 HD13 LEU 5 -0.280 -2.046 -11.426 44 HD21 LEU 5 HD21 LEU 5 -2.361 -5.047 -10.804 45 HD22 LEU 5 HD22 LEU 5 -2.892 -3.407 -10.427 46 HD23 LEU 5 HD23 LEU 5 -1.237 -3.904 -10.071 47 H SER 6 HN SER 6 -4.607 -0.844 -14.496 48 HA SER 6 HA SER 6 -6.860 -1.815 -15.814 49 HB2 SER 6 HB2 SER 6 -4.838 0.205 -16.829 50 HB3 SER 6 HB1 SER 6 -6.490 0.010 -17.416 51 HG SER 6 HG SER 6 -6.854 0.317 -14.913 52 H LYS 7 HN LYS 7 -7.181 -2.715 -17.862 53 HA LYS 7 HA LYS 7 -4.806 -3.990 -19.055 54 HB2 LYS 7 HB2 LYS 7 -7.616 -5.040 -18.744 55 HB3 LYS 7 HB1 LYS 7 -6.477 -5.735 -19.887 56 HG2 LYS 7 HG2 LYS 7 -4.943 -6.237 -18.037 57 HG3 LYS 7 HG1 LYS 7 -6.114 -5.572 -16.898 58 HD2 LYS 7 HD2 LYS 7 -6.216 -8.029 -17.008 59 HD3 LYS 7 HD1 LYS 7 -7.730 -7.281 -17.516 60 HE2 LYS 7 HE2 LYS 7 -7.120 -9.142 -18.982 61 HE3 LYS 7 HE1 LYS 7 -7.121 -7.616 -19.862 62 HZ1 LYS 7 HZ1 LYS 7 -4.691 -8.939 -18.782 63 HZ2 LYS 7 HZ2 LYS 7 -4.736 -7.551 -19.748 64 HZ3 LYS 7 HZ3 LYS 7 -5.209 -9.043 -20.389 65 HA PRO 8 HA PRO 8 -6.340 -1.689 -22.702 66 HB2 PRO 8 HB2 PRO 8 -3.916 -1.019 -23.624 67 HB3 PRO 8 HB1 PRO 8 -4.662 -0.104 -22.308 68 HG2 PRO 8 HG2 PRO 8 -2.542 -2.219 -22.177 69 HG3 PRO 8 HG1 PRO 8 -2.650 -0.682 -21.297 70 HD2 PRO 8 HD2 PRO 8 -3.383 -3.124 -20.245 71 HD3 PRO 8 HD1 PRO 8 -4.021 -1.566 -19.686 72 H CYS 9 HN CYS 9 -4.962 -2.036 -24.961 73 HA CYS 9 HA CYS 9 -4.688 -4.958 -25.256 74 HB2 CYS 9 HB2 CYS 9 -6.647 -4.009 -26.418 75 HB3 CYS 9 HB1 CYS 9 -5.598 -2.888 -27.277 76 HG CYS 9 HG CYS 9 -6.584 -5.790 -28.230 77 H ILE 10 HN ILE 10 -3.381 -5.200 -27.575 78 HA ILE 10 HA ILE 10 -0.836 -3.901 -26.913 79 HB ILE 10 HB ILE 10 -1.031 -6.431 -26.994 80 HG12 ILE 10 HG12 ILE 10 1.061 -5.392 -28.901 81 HG13 ILE 10 HG11 ILE 10 1.102 -4.993 -27.186 82 HG21 ILE 10 HG21 ILE 10 -1.087 -5.936 -29.970 83 HG22 ILE 10 HG22 ILE 10 -2.385 -6.637 -29.002 84 HG23 ILE 10 HG23 ILE 10 -0.860 -7.503 -29.192 85 HD11 ILE 10 HD11 ILE 10 1.233 -7.366 -26.635 86 HD12 ILE 10 HD12 ILE 10 2.553 -6.868 -27.690 87 HD13 ILE 10 HD13 ILE 10 1.189 -7.768 -28.351 88 H SER 11 HN SER 11 0.602 -3.391 -28.767 89 HA SER 11 HA SER 11 -0.549 -1.281 -30.147 90 HB2 SER 11 HB2 SER 11 2.039 -2.686 -30.832 91 HB3 SER 11 HB1 SER 11 1.611 -1.017 -31.214 92 HG SER 11 HG SER 11 2.837 -0.951 -29.380 93 H ASP 12 HN ASP 12 -0.740 -0.832 -32.372 94 HA ASP 12 HA ASP 12 -2.333 -2.545 -33.840 95 HB2 ASP 12 HB2 ASP 12 -1.839 -1.011 -35.774 96 HB3 ASP 12 HB1 ASP 12 -2.327 -0.185 -34.298 97 H LYS 13 HN LYS 13 1.164 -2.046 -34.092 98 HA LYS 13 HA LYS 13 1.724 -3.621 -36.306 99 HB2 LYS 13 HB2 LYS 13 3.397 -2.229 -35.134 100 HB3 LYS 13 HB1 LYS 13 3.376 -3.353 -33.781 101 HG2 LYS 13 HG2 LYS 13 4.068 -5.132 -35.521 102 HG3 LYS 13 HG1 LYS 13 4.468 -3.757 -36.549 103 HD2 LYS 13 HD2 LYS 13 6.462 -4.457 -35.405 104 HD3 LYS 13 HD1 LYS 13 5.954 -2.905 -34.735 105 HE2 LYS 13 HE2 LYS 13 6.652 -4.444 -32.963 106 HE3 LYS 13 HE1 LYS 13 4.937 -4.054 -32.825 107 HZ1 LYS 13 HZ1 LYS 13 4.392 -6.166 -33.829 108 HZ2 LYS 13 HZ2 LYS 13 5.393 -6.423 -32.494 109 HZ3 LYS 13 HZ3 LYS 13 6.025 -6.533 -34.059 110 H GLU 14 HN GLU 14 0.998 -4.545 -33.014 111 HA GLU 14 HA GLU 14 1.663 -7.346 -33.530 112 HB2 GLU 14 HB2 GLU 14 2.397 -6.146 -31.422 113 HB3 GLU 14 HB1 GLU 14 0.707 -6.100 -30.945 114 HG2 GLU 14 HG2 GLU 14 1.768 -7.935 -29.841 115 HG3 GLU 14 HG1 GLU 14 0.653 -8.574 -31.047 116 H CYS 15 HN CYS 15 -1.002 -5.206 -33.461 117 HA CYS 15 HA CYS 15 -3.078 -7.101 -33.038 118 HB2 CYS 15 HB2 CYS 15 -3.135 -4.535 -34.649 119 HB3 CYS 15 HB1 CYS 15 -4.545 -5.438 -34.106 120 HG CYS 15 HG CYS 15 -2.496 -4.576 -31.614 121 H SER 16 HN SER 16 -1.598 -5.775 -35.997 122 HA SER 16 HA SER 16 -2.983 -7.826 -37.586 123 HB2 SER 16 HB2 SER 16 -1.550 -5.335 -38.549 124 HB3 SER 16 HB1 SER 16 -2.584 -6.396 -39.509 125 HG SER 16 HG SER 16 -3.707 -5.342 -37.199 126 H ILE 17 HN ILE 17 -1.612 -9.600 -37.229 127 HA ILE 17 HA ILE 17 1.215 -9.337 -37.927 128 HB ILE 17 HB ILE 17 -0.237 -11.875 -37.110 129 HG12 ILE 17 HG12 ILE 17 1.021 -11.435 -34.876 130 HG13 ILE 17 HG11 ILE 17 1.102 -9.763 -35.419 131 HG21 ILE 17 HG21 ILE 17 2.706 -11.180 -37.179 132 HG22 ILE 17 HG22 ILE 17 1.860 -12.265 -38.282 133 HG23 ILE 17 HG23 ILE 17 2.027 -12.694 -36.580 134 HD11 ILE 17 HD11 ILE 17 -0.774 -10.252 -33.881 135 HD12 ILE 17 HD12 ILE 17 -1.454 -11.320 -35.109 136 HD13 ILE 17 HD13 ILE 17 -1.283 -9.596 -35.435 137 H VAL 18 HN VAL 18 0.546 -8.722 -40.130 138 HA VAL 18 HA VAL 18 -0.137 -8.991 -42.262 139 HB VAL 18 HB VAL 18 1.216 -10.474 -43.467 140 HG11 VAL 18 HG11 VAL 18 3.457 -9.978 -42.577 141 HG12 VAL 18 HG12 VAL 18 2.711 -9.496 -41.055 142 HG13 VAL 18 HG13 VAL 18 2.372 -8.585 -42.527 143 HG21 VAL 18 HG21 VAL 18 1.809 -11.962 -40.915 144 HG22 VAL 18 HG22 VAL 18 2.567 -12.274 -42.477 145 HG23 VAL 18 HG23 VAL 18 0.840 -12.560 -42.261 146 H LYS 19 HN LYS 19 -1.950 -10.246 -40.354 147 HA LYS 19 HA LYS 19 -2.935 -12.621 -41.757 148 HB2 LYS 19 HB2 LYS 19 -2.577 -12.694 -39.281 149 HB3 LYS 19 HB1 LYS 19 -3.808 -11.455 -39.096 150 HG2 LYS 19 HG2 LYS 19 -4.769 -13.595 -38.596 151 HG3 LYS 19 HG1 LYS 19 -5.461 -12.999 -40.105 152 HD2 LYS 19 HD2 LYS 19 -4.938 -15.385 -40.262 153 HD3 LYS 19 HD1 LYS 19 -3.948 -14.444 -41.380 154 HE2 LYS 19 HE2 LYS 19 -2.642 -16.185 -40.233 155 HE3 LYS 19 HE1 LYS 19 -2.059 -14.567 -39.854 156 HZ1 LYS 19 HZ1 LYS 19 -3.807 -16.225 -38.116 157 HZ2 LYS 19 HZ2 LYS 19 -3.260 -14.666 -37.759 158 HZ3 LYS 19 HZ3 LYS 19 -2.155 -15.936 -37.883 159 H ASN 20 HN ASN 20 -5.152 -12.791 -42.381 160 HA ASN 20 HA ASN 20 -6.246 -10.334 -43.387 161 HB2 ASN 20 HB2 ASN 20 -6.364 -12.458 -44.669 162 HB3 ASN 20 HB1 ASN 20 -7.449 -13.116 -43.448 163 HD21 ASN 20 HD21 ASN 20 -7.455 -9.812 -44.692 164 HD22 ASN 20 HD22 ASN 20 -9.020 -9.899 -45.420 165 H TYR 21 HN TYR 21 -6.328 -9.561 -41.060 166 HA TYR 21 HA TYR 21 -9.139 -9.543 -40.323 167 HB2 TYR 21 HB2 TYR 21 -6.912 -10.288 -38.413 168 HB3 TYR 21 HB1 TYR 21 -8.416 -9.577 -37.841 169 HD1 TYR 21 HD1 TYR 21 -10.606 -10.790 -38.621 170 HD2 TYR 21 HD2 TYR 21 -6.761 -12.616 -38.567 171 HE1 TYR 21 HE1 TYR 21 -11.666 -13.008 -38.569 172 HE2 TYR 21 HE2 TYR 21 -7.813 -14.840 -38.517 173 HH TYR 21 HH TYR 21 -9.976 -15.848 -37.822 174 H ARG 22 HN ARG 22 -9.697 -7.598 -39.144 175 HA ARG 22 HA ARG 22 -7.627 -5.544 -39.077 176 HB2 ARG 22 HB2 ARG 22 -8.531 -5.370 -41.328 177 HB3 ARG 22 HB1 ARG 22 -10.172 -5.289 -40.698 178 HG2 ARG 22 HG2 ARG 22 -9.849 -3.122 -39.828 179 HG3 ARG 22 HG1 ARG 22 -8.091 -3.237 -39.972 180 HD2 ARG 22 HD2 ARG 22 -10.032 -3.174 -42.290 181 HD3 ARG 22 HD1 ARG 22 -9.097 -1.795 -41.708 182 HE ARG 22 HE ARG 22 -7.253 -3.774 -42.203 183 HH11 ARG 22 HH11 ARG 22 -9.640 -2.044 -44.097 184 HH12 ARG 22 HH12 ARG 22 -8.747 -2.186 -45.577 185 HH21 ARG 22 HH21 ARG 22 -6.083 -3.974 -44.140 186 HH22 ARG 22 HH22 ARG 22 -6.721 -3.286 -45.602 187 H ALA 23 HN ALA 23 -7.776 -4.302 -37.406 188 HA ALA 23 HA ALA 23 -10.323 -3.561 -36.227 189 HB1 ALA 23 HB1 ALA 23 -9.746 -5.591 -34.980 190 HB2 ALA 23 HB2 ALA 23 -9.601 -4.169 -33.948 191 HB3 ALA 23 HB3 ALA 23 -8.155 -4.929 -34.612 192 H ARG 24 HN ARG 24 -10.039 -1.674 -34.790 193 HA ARG 24 HA ARG 24 -7.774 -0.085 -35.744 194 HB2 ARG 24 HB2 ARG 24 -10.098 0.787 -36.027 195 HB3 ARG 24 HB1 ARG 24 -10.250 0.861 -34.276 196 HG2 ARG 24 HG2 ARG 24 -8.483 2.490 -34.140 197 HG3 ARG 24 HG1 ARG 24 -8.167 2.346 -35.869 198 HD2 ARG 24 HD2 ARG 24 -10.491 3.141 -36.293 199 HD3 ARG 24 HD1 ARG 24 -10.659 3.424 -34.560 200 HE ARG 24 HE ARG 24 -8.386 4.783 -35.319 201 HH11 ARG 24 HH11 ARG 24 -11.776 4.869 -36.208 202 HH12 ARG 24 HH12 ARG 24 -11.751 6.558 -36.606 203 HH21 ARG 24 HH21 ARG 24 -8.365 6.999 -35.861 204 HH22 ARG 24 HH22 ARG 24 -9.831 7.767 -36.395 205 H CYS 25 HN CYS 25 -6.062 -0.458 -34.485 206 HA CYS 25 HA CYS 25 -6.351 -0.309 -31.567 207 HB2 CYS 25 HB2 CYS 25 -3.926 -1.127 -33.184 208 HB3 CYS 25 HB1 CYS 25 -4.173 -1.354 -31.455 209 HG CYS 25 HG CYS 25 -5.285 -3.662 -31.617 210 H ARG 26 HN ARG 26 -6.062 1.670 -30.742 211 HA ARG 26 HA ARG 26 -3.950 3.396 -31.840 212 HB2 ARG 26 HB2 ARG 26 -6.065 4.147 -32.814 213 HB3 ARG 26 HB1 ARG 26 -6.801 4.232 -31.222 214 HG2 ARG 26 HG2 ARG 26 -4.363 5.873 -31.697 215 HG3 ARG 26 HG1 ARG 26 -5.862 6.377 -32.479 216 HD2 ARG 26 HD2 ARG 26 -5.578 5.845 -29.519 217 HD3 ARG 26 HD1 ARG 26 -5.462 7.441 -30.260 218 HE ARG 26 HE ARG 26 -7.767 7.293 -30.855 219 HH11 ARG 26 HH11 ARG 26 -6.691 4.682 -28.773 220 HH12 ARG 26 HH12 ARG 26 -8.290 4.326 -28.198 221 HH21 ARG 26 HH21 ARG 26 -9.864 6.815 -30.082 222 HH22 ARG 26 HH22 ARG 26 -10.080 5.525 -28.937 223 H LYS 27 HN LYS 27 -2.652 4.177 -30.325 224 HA LYS 27 HA LYS 27 -1.637 4.426 -28.315 225 HB2 LYS 27 HB2 LYS 27 -4.441 5.203 -27.491 226 HB3 LYS 27 HB1 LYS 27 -3.024 5.420 -26.474 227 HG2 LYS 27 HG2 LYS 27 -2.052 6.879 -28.247 228 HG3 LYS 27 HG1 LYS 27 -3.581 6.751 -29.119 229 HD2 LYS 27 HD2 LYS 27 -3.580 8.801 -27.847 230 HD3 LYS 27 HD1 LYS 27 -4.745 7.686 -27.129 231 HE2 LYS 27 HE2 LYS 27 -3.046 7.060 -25.440 232 HE3 LYS 27 HE1 LYS 27 -1.943 8.247 -26.137 233 HZ1 LYS 27 HZ1 LYS 27 -3.615 9.964 -25.618 234 HZ2 LYS 27 HZ2 LYS 27 -3.020 9.185 -24.240 235 HZ3 LYS 27 HZ3 LYS 27 -4.553 8.793 -24.835 236 H GLY 28 HN GLY 28 -2.596 1.802 -29.002 237 HA2 GLY 28 HA2 GLY 28 -2.368 -0.253 -27.975 238 HA3 GLY 28 HA1 GLY 28 -2.224 0.568 -26.430 239 H TYR 29 HN TYR 29 -4.982 1.780 -27.770 240 HA TYR 29 HA TYR 29 -6.662 -0.179 -26.349 241 HB2 TYR 29 HB2 TYR 29 -7.562 2.397 -27.698 242 HB3 TYR 29 HB1 TYR 29 -8.420 1.465 -26.477 243 HD1 TYR 29 HD1 TYR 29 -6.701 4.390 -26.967 244 HD2 TYR 29 HD2 TYR 29 -6.857 1.138 -24.227 245 HE1 TYR 29 HE1 TYR 29 -5.736 5.826 -25.226 246 HE2 TYR 29 HE2 TYR 29 -5.889 2.566 -22.471 247 HH TYR 29 HH TYR 29 -4.498 4.621 -22.309 248 H CYS 30 HN CYS 30 -7.841 -1.670 -27.505 249 HA CYS 30 HA CYS 30 -7.788 -1.445 -30.446 250 HB2 CYS 30 HB2 CYS 30 -7.953 -3.904 -28.688 251 HB3 CYS 30 HB1 CYS 30 -8.082 -3.927 -30.443 252 HG CYS 30 HG CYS 30 -5.321 -2.421 -29.274 253 H VAL 31 HN VAL 31 -9.629 -1.212 -31.501 254 HA VAL 31 HA VAL 31 -12.123 -2.270 -30.353 255 HB VAL 31 HB VAL 31 -13.350 -0.289 -31.307 256 HG11 VAL 31 HG11 VAL 31 -12.828 1.240 -29.467 257 HG12 VAL 31 HG12 VAL 31 -11.335 0.355 -29.148 258 HG13 VAL 31 HG13 VAL 31 -12.897 -0.433 -28.914 259 HG21 VAL 31 HG21 VAL 31 -10.583 0.911 -31.539 260 HG22 VAL 31 HG22 VAL 31 -12.107 1.771 -31.781 261 HG23 VAL 31 HG23 VAL 31 -11.638 0.477 -32.884 262 H ARG 32 HN ARG 32 -12.986 -3.689 -31.735 263 HA ARG 32 HA ARG 32 -11.985 -3.861 -34.443 264 HB2 ARG 32 HB2 ARG 32 -12.445 -5.880 -33.003 265 HB3 ARG 32 HB1 ARG 32 -14.163 -5.523 -33.139 266 HG2 ARG 32 HG2 ARG 32 -13.962 -5.753 -35.610 267 HG3 ARG 32 HG1 ARG 32 -12.283 -6.244 -35.387 268 HD2 ARG 32 HD2 ARG 32 -13.130 -8.107 -33.917 269 HD3 ARG 32 HD1 ARG 32 -14.762 -7.668 -34.421 270 HE ARG 32 HE ARG 32 -12.701 -8.432 -36.392 271 HH11 ARG 32 HH11 ARG 32 -15.925 -8.783 -35.068 272 HH12 ARG 32 HH12 ARG 32 -16.394 -10.013 -36.200 273 HH21 ARG 32 HH21 ARG 32 -13.311 -10.049 -37.874 274 HH22 ARG 32 HH22 ARG 32 -14.894 -10.752 -37.788 275 H ARG 33 HN ARG 33 -12.776 -2.470 -35.884 276 HA ARG 33 HA ARG 33 -15.701 -2.090 -36.011 277 HB2 ARG 33 HB2 ARG 33 -14.120 -0.060 -35.470 278 HB3 ARG 33 HB1 ARG 33 -13.739 -0.121 -37.182 279 HG2 ARG 33 HG2 ARG 33 -16.493 0.278 -36.007 280 HG3 ARG 33 HG1 ARG 33 -15.460 1.544 -36.662 281 HD2 ARG 33 HD2 ARG 33 -15.539 0.384 -38.868 282 HD3 ARG 33 HD1 ARG 33 -16.691 -0.764 -38.180 283 HE ARG 33 HE ARG 33 -17.332 2.096 -38.082 284 HH11 ARG 33 HH11 ARG 33 -17.965 -1.050 -39.504 285 HH12 ARG 33 HH12 ARG 33 -19.472 -0.572 -40.209 286 HH21 ARG 33 HH21 ARG 33 -19.318 2.726 -39.004 287 HH22 ARG 33 HH22 ARG 33 -20.260 1.573 -39.898 288 H ARG 34 HN ARG 34 -15.952 -3.883 -37.363 289 HA ARG 34 HA ARG 34 -14.525 -4.003 -39.875 290 HB2 ARG 34 HB2 ARG 34 -15.713 -6.020 -40.330 291 HB3 ARG 34 HB1 ARG 34 -15.246 -6.069 -38.642 292 HG2 ARG 34 HG2 ARG 34 -18.005 -5.400 -39.670 293 HG3 ARG 34 HG1 ARG 34 -17.495 -6.966 -39.044 294 HD2 ARG 34 HD2 ARG 34 -18.389 -6.158 -37.121 295 HD3 ARG 34 HD1 ARG 34 -16.805 -5.399 -36.961 296 HE ARG 34 HE ARG 34 -18.567 -3.728 -38.426 297 HH11 ARG 34 HH11 ARG 34 -17.843 -4.768 -35.146 298 HH12 ARG 34 HH12 ARG 34 -18.650 -3.417 -34.417 299 HH21 ARG 34 HH21 ARG 34 -19.624 -1.964 -37.447 300 HH22 ARG 34 HH22 ARG 34 -19.667 -1.841 -35.711 301 H ILE 35 HN ILE 35 -15.635 -3.913 -41.961 302 HA ILE 35 HA ILE 35 -16.909 -1.493 -42.339 303 HB ILE 35 HB ILE 35 -17.091 -3.931 -44.125 304 HG12 ILE 35 HG12 ILE 35 -15.154 -1.591 -44.150 305 HG13 ILE 35 HG11 ILE 35 -14.773 -3.238 -43.660 306 HG21 ILE 35 HG21 ILE 35 -18.817 -2.298 -44.684 307 HG22 ILE 35 HG22 ILE 35 -17.578 -2.341 -45.936 308 HG23 ILE 35 HG23 ILE 35 -17.604 -1.020 -44.767 309 HD11 ILE 35 HD11 ILE 35 -15.228 -4.010 -45.939 310 HD12 ILE 35 HD12 ILE 35 -13.954 -2.790 -45.890 311 HD13 ILE 35 HD13 ILE 35 -15.578 -2.350 -46.423 312 H ARG 36 HN ARG 36 -18.430 -4.713 -42.342 313 HA ARG 36 HA ARG 36 -20.936 -3.439 -41.497 314 HB2 ARG 36 HB2 ARG 36 -22.215 -5.011 -42.904 315 HB3 ARG 36 HB1 ARG 36 -21.188 -3.957 -43.862 316 HG2 ARG 36 HG2 ARG 36 -19.541 -5.810 -44.049 317 HG3 ARG 36 HG1 ARG 36 -20.685 -6.858 -43.204 318 HD2 ARG 36 HD2 ARG 36 -20.968 -7.266 -45.529 319 HD3 ARG 36 HD1 ARG 36 -22.359 -6.313 -45.009 320 HE ARG 36 HE ARG 36 -20.025 -5.156 -46.413 321 HH11 ARG 36 HH11 ARG 36 -23.486 -5.367 -45.897 322 HH12 ARG 36 HH12 ARG 36 -23.861 -4.204 -47.133 323 HH21 ARG 36 HH21 ARG 36 -20.527 -3.615 -48.025 324 HH22 ARG 36 HH22 ARG 36 -22.189 -3.217 -48.340
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