NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636114 | 6ckf | 30420 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 0.808 -2.160 3.307 2 HA ALA 1 HA ALA 1 0.644 -0.343 1.023 3 HB1 ALA 1 HB1 ALA 1 3.059 -1.984 1.340 4 HB2 ALA 1 HB2 ALA 1 2.889 -0.252 1.055 5 HB3 ALA 1 HB3 ALA 1 2.709 -0.899 2.685 6 H CYS 2 H CYS 2 -0.415 -1.164 -0.670 7 HA CYS 2 HA CYS 2 0.601 -3.456 -2.028 8 HB2 CYS 2 HB2 CYS 2 -1.631 -4.687 -1.987 9 HB3 CYS 2 HB3 CYS 2 -0.661 -4.774 -0.520 10 H LYS 3 H LYS 3 -0.595 -3.885 -4.057 11 HA LYS 3 HA LYS 3 -2.549 -1.988 -4.950 12 HB2 LYS 3 HB2 LYS 3 -1.182 -0.974 -6.721 13 HB3 LYS 3 HB3 LYS 3 -0.560 -0.585 -5.123 14 HG2 LYS 3 HG2 LYS 3 1.403 -1.136 -6.073 15 HG3 LYS 3 HG3 LYS 3 0.898 -2.773 -5.646 16 HD2 LYS 3 HD2 LYS 3 0.485 -3.352 -7.802 17 HD3 LYS 3 HD3 LYS 3 -0.049 -1.729 -8.247 18 HE2 LYS 3 HE2 LYS 3 2.428 -1.077 -7.958 19 HE3 LYS 3 HE3 LYS 3 2.740 -2.810 -8.043 20 HZ1 LYS 3 HZ1 LYS 3 2.951 -2.022 -10.222 21 HZ2 LYS 3 HZ2 LYS 3 1.561 -1.064 -10.120 22 HZ3 LYS 3 HZ3 LYS 3 1.424 -2.749 -10.183 23 H ASP 4 H ASP 4 -3.652 -2.726 -6.703 24 HA ASP 4 HA ASP 4 -3.245 -5.434 -7.489 25 HB2 ASP 4 HB2 ASP 4 -5.124 -4.926 -9.114 26 HB3 ASP 4 HB3 ASP 4 -5.494 -4.663 -7.412 27 H VAL 5 H VAL 5 -1.624 -6.012 -8.777 28 HA VAL 5 HA VAL 5 -0.508 -4.213 -10.731 29 HB VAL 5 HB VAL 5 0.121 -7.141 -10.362 30 HG11 VAL 5 HG11 VAL 5 1.610 -4.853 -11.637 31 HG12 VAL 5 HG12 VAL 5 2.330 -6.427 -11.292 32 HG13 VAL 5 HG13 VAL 5 0.984 -6.301 -12.426 33 HG21 VAL 5 HG21 VAL 5 1.352 -4.745 -9.004 34 HG22 VAL 5 HG22 VAL 5 0.386 -6.003 -8.233 35 HG23 VAL 5 HG23 VAL 5 1.965 -6.396 -8.913 36 H PHE 6 H PHE 6 -2.418 -7.192 -10.778 37 HA PHE 6 HA PHE 6 -2.449 -7.426 -13.617 38 HB2 PHE 6 HB2 PHE 6 -3.771 -8.777 -11.334 39 HB3 PHE 6 HB3 PHE 6 -4.607 -8.864 -12.881 40 HD1 PHE 6 HD1 PHE 6 -0.947 -8.740 -12.498 41 HD2 PHE 6 HD2 PHE 6 -4.345 -11.190 -13.252 42 HE1 PHE 6 HE1 PHE 6 0.535 -10.578 -13.191 43 HE2 PHE 6 HE2 PHE 6 -2.868 -13.032 -13.945 44 HZ PHE 6 HZ PHE 6 -0.424 -12.727 -13.914 45 HA PRO 7 HA PRO 7 -5.694 -4.732 -14.820 46 HB2 PRO 7 HB2 PRO 7 -7.010 -6.195 -16.691 47 HB3 PRO 7 HB3 PRO 7 -5.409 -5.499 -16.967 48 HG2 PRO 7 HG2 PRO 7 -6.152 -8.297 -16.206 49 HG3 PRO 7 HG3 PRO 7 -4.955 -7.740 -17.390 50 HD2 PRO 7 HD2 PRO 7 -4.270 -8.574 -14.907 51 HD3 PRO 7 HD3 PRO 7 -3.369 -7.313 -15.773 52 H ALA 8 H ALA 8 -7.766 -4.182 -14.303 53 HA ALA 8 HA ALA 8 -9.139 -5.591 -12.327 54 HB1 ALA 8 HB1 ALA 8 -9.970 -3.384 -14.182 55 HB2 ALA 8 HB2 ALA 8 -11.080 -4.065 -12.992 56 HB3 ALA 8 HB3 ALA 8 -9.582 -3.298 -12.464 57 H ALA 9 H ALA 9 -9.546 -5.577 -15.831 58 HA ALA 9 HA ALA 9 -11.953 -6.890 -16.103 59 HB1 ALA 9 HB1 ALA 9 -9.497 -6.703 -17.751 60 HB2 ALA 9 HB2 ALA 9 -10.669 -7.950 -18.178 61 HB3 ALA 9 HB3 ALA 9 -11.160 -6.257 -18.135 62 H THR 10 H THR 10 -8.734 -8.325 -15.660 63 HA THR 10 HA THR 10 -9.723 -11.013 -15.673 64 HB THR 10 HB THR 10 -7.051 -9.913 -14.779 65 HG1 THR 10 HG1 THR 10 -8.108 -10.816 -17.219 66 HG21 THR 10 HG21 THR 10 -6.608 -11.934 -13.954 67 HG22 THR 10 HG22 THR 10 -6.858 -12.617 -15.561 68 HG23 THR 10 HG23 THR 10 -8.205 -12.510 -14.428 69 H CYS 11 H CYS 11 -8.407 -8.893 -13.126 70 HA CYS 11 HA CYS 11 -8.571 -10.464 -10.929 71 HB2 CYS 11 HB2 CYS 11 -9.449 -7.575 -11.124 72 HB3 CYS 11 HB3 CYS 11 -9.095 -8.418 -9.619 73 H ARG 12 H ARG 12 -11.278 -8.334 -11.867 74 HA ARG 12 HA ARG 12 -13.182 -9.336 -10.152 75 HB2 ARG 12 HB2 ARG 12 -14.864 -8.476 -11.723 76 HB3 ARG 12 HB3 ARG 12 -13.541 -7.338 -11.503 77 HG2 ARG 12 HG2 ARG 12 -12.602 -8.577 -13.643 78 HG3 ARG 12 HG3 ARG 12 -14.317 -8.911 -13.892 79 HD2 ARG 12 HD2 ARG 12 -13.052 -6.197 -13.526 80 HD3 ARG 12 HD3 ARG 12 -13.671 -6.867 -15.035 81 HE ARG 12 HE ARG 12 -15.792 -6.937 -13.303 82 HH11 ARG 12 HH11 ARG 12 -13.656 -4.476 -14.528 83 HH12 ARG 12 HH12 ARG 12 -14.839 -3.214 -14.425 84 HH21 ARG 12 HH21 ARG 12 -17.358 -5.285 -13.162 85 HH22 ARG 12 HH22 ARG 12 -16.944 -3.675 -13.647 86 H HIS 13 H HIS 13 -12.230 -10.560 -13.324 87 HA HIS 13 HA HIS 13 -14.231 -12.450 -13.714 88 HB2 HIS 13 HB2 HIS 13 -12.057 -11.696 -15.126 89 HB3 HIS 13 HB3 HIS 13 -11.490 -13.245 -14.511 90 HD1 HIS 13 HD1 HIS 13 -13.376 -11.800 -17.217 91 HD2 HIS 13 HD2 HIS 13 -13.397 -15.425 -15.186 92 HE1 HIS 13 HE1 HIS 13 -14.604 -13.403 -18.715 93 H ALA 14 H ALA 14 -11.192 -12.717 -11.918 94 HA ALA 14 HA ALA 14 -11.472 -15.469 -11.285 95 HB1 ALA 14 HB1 ALA 14 -9.495 -13.555 -10.989 96 HB2 ALA 14 HB2 ALA 14 -9.947 -13.964 -9.333 97 HB3 ALA 14 HB3 ALA 14 -9.424 -15.231 -10.443 98 H LYS 15 H LYS 15 -12.173 -12.496 -9.466 99 HA LYS 15 HA LYS 15 -13.053 -13.714 -7.105 100 HB2 LYS 15 HB2 LYS 15 -14.101 -11.117 -8.234 101 HB3 LYS 15 HB3 LYS 15 -14.038 -11.597 -6.543 102 HG2 LYS 15 HG2 LYS 15 -11.692 -10.988 -8.329 103 HG3 LYS 15 HG3 LYS 15 -12.301 -9.997 -7.001 104 HD2 LYS 15 HD2 LYS 15 -11.191 -12.790 -6.721 105 HD3 LYS 15 HD3 LYS 15 -10.303 -11.304 -6.375 106 HE2 LYS 15 HE2 LYS 15 -12.782 -12.304 -4.980 107 HE3 LYS 15 HE3 LYS 15 -11.151 -12.231 -4.316 108 HZ1 LYS 15 HZ1 LYS 15 -12.945 -9.972 -4.983 109 HZ2 LYS 15 HZ2 LYS 15 -11.291 -9.762 -4.698 110 HZ3 LYS 15 HZ3 LYS 15 -12.289 -10.372 -3.476 111 H SER 16 H SER 16 -14.958 -12.513 -9.868 112 HA SER 16 HA SER 16 -17.493 -13.053 -9.101 113 HB2 SER 16 HB2 SER 16 -17.327 -12.160 -11.243 114 HB3 SER 16 HB3 SER 16 -16.130 -13.349 -11.756 115 HG SER 16 HG SER 16 -18.918 -13.596 -11.553 116 H VAL 17 H VAL 17 -15.387 -15.450 -10.696 117 HA VAL 17 HA VAL 17 -17.188 -17.612 -10.230 118 HB VAL 17 HB VAL 17 -15.326 -19.059 -10.970 119 HG11 VAL 17 HG11 VAL 17 -16.747 -18.160 -12.664 120 HG12 VAL 17 HG12 VAL 17 -15.897 -16.614 -12.635 121 HG13 VAL 17 HG13 VAL 17 -15.087 -18.055 -13.249 122 HG21 VAL 17 HG21 VAL 17 -13.460 -17.867 -10.000 123 HG22 VAL 17 HG22 VAL 17 -13.231 -17.999 -11.744 124 HG23 VAL 17 HG23 VAL 17 -13.770 -16.475 -11.038 125 H GLY 18 H GLY 18 -14.383 -16.318 -8.552 126 HA2 GLY 18 HA2 GLY 18 -14.176 -16.560 -6.175 127 HA3 GLY 18 HA3 GLY 18 -15.013 -18.101 -6.297 128 H ASN 19 H ASN 19 -12.350 -17.031 -8.343 129 HA ASN 19 HA ASN 19 -10.838 -19.384 -7.505 130 HB2 ASN 19 HB2 ASN 19 -11.185 -18.010 -9.970 131 HB3 ASN 19 HB3 ASN 19 -9.484 -17.889 -9.531 132 HD21 ASN 19 HD21 ASN 19 -10.585 -19.335 -11.724 133 HD22 ASN 19 HD22 ASN 19 -10.197 -21.002 -11.488 134 H CYS 20 H CYS 20 -11.128 -16.841 -5.918 135 HA CYS 20 HA CYS 20 -8.739 -15.381 -5.935 136 HB2 CYS 20 HB2 CYS 20 -10.913 -14.834 -4.717 137 HB3 CYS 20 HB3 CYS 20 -10.373 -15.947 -3.463 138 H SER 21 H SER 21 -9.498 -18.514 -4.666 139 HA SER 21 HA SER 21 -7.527 -18.819 -2.725 140 HB2 SER 21 HB2 SER 21 -8.689 -20.867 -4.626 141 HB3 SER 21 HB3 SER 21 -7.695 -21.264 -3.225 142 HG SER 21 HG SER 21 -10.018 -21.336 -2.875 143 H SER 22 H SER 22 -7.344 -19.151 -6.227 144 HA SER 22 HA SER 22 -4.764 -20.269 -6.366 145 HB2 SER 22 HB2 SER 22 -6.731 -19.276 -8.206 146 HB3 SER 22 HB3 SER 22 -5.150 -18.631 -8.647 147 HG SER 22 HG SER 22 -4.449 -20.931 -8.362 148 H GLU 23 H GLU 23 -2.762 -19.407 -6.328 149 HA GLU 23 HA GLU 23 -2.431 -16.774 -5.263 150 HB2 GLU 23 HB2 GLU 23 -0.167 -17.305 -5.017 151 HB3 GLU 23 HB3 GLU 23 -0.978 -18.854 -4.834 152 HG2 GLU 23 HG2 GLU 23 0.358 -17.856 -7.339 153 HG3 GLU 23 HG3 GLU 23 1.024 -19.034 -6.210 154 H LYS 24 H LYS 24 -2.184 -18.230 -8.425 155 HA LYS 24 HA LYS 24 -0.648 -16.496 -9.855 156 HB2 LYS 24 HB2 LYS 24 -1.771 -18.472 -10.811 157 HB3 LYS 24 HB3 LYS 24 -3.311 -17.626 -10.737 158 HG2 LYS 24 HG2 LYS 24 -2.578 -16.023 -12.361 159 HG3 LYS 24 HG3 LYS 24 -0.943 -16.688 -12.341 160 HD2 LYS 24 HD2 LYS 24 -1.539 -18.547 -13.550 161 HD3 LYS 24 HD3 LYS 24 -3.216 -18.500 -12.999 162 HE2 LYS 24 HE2 LYS 24 -3.333 -17.865 -15.244 163 HE3 LYS 24 HE3 LYS 24 -3.403 -16.340 -14.362 164 HZ1 LYS 24 HZ1 LYS 24 -1.523 -15.658 -15.299 165 HZ2 LYS 24 HZ2 LYS 24 -1.670 -16.954 -16.375 166 HZ3 LYS 24 HZ3 LYS 24 -0.722 -17.114 -14.983 167 H TYR 25 H TYR 25 -4.031 -16.017 -8.914 168 HA TYR 25 HA TYR 25 -3.794 -13.207 -9.767 169 HB2 TYR 25 HB2 TYR 25 -6.514 -13.945 -9.259 170 HB3 TYR 25 HB3 TYR 25 -5.779 -13.421 -10.770 171 HD1 TYR 25 HD1 TYR 25 -4.606 -15.205 -12.192 172 HD2 TYR 25 HD2 TYR 25 -7.269 -16.144 -9.010 173 HE1 TYR 25 HE1 TYR 25 -4.931 -17.453 -13.135 174 HE2 TYR 25 HE2 TYR 25 -7.600 -18.395 -9.943 175 HH TYR 25 HH TYR 25 -6.243 -19.977 -11.458 176 H LYS 26 H LYS 26 -2.691 -13.843 -7.357 177 HA LYS 26 HA LYS 26 -4.535 -12.519 -5.497 178 HB2 LYS 26 HB2 LYS 26 -4.525 -14.950 -5.012 179 HB3 LYS 26 HB3 LYS 26 -2.784 -14.877 -4.775 180 HG2 LYS 26 HG2 LYS 26 -3.494 -12.995 -3.038 181 HG3 LYS 26 HG3 LYS 26 -4.982 -13.945 -3.026 182 HD2 LYS 26 HD2 LYS 26 -2.740 -15.714 -2.908 183 HD3 LYS 26 HD3 LYS 26 -2.562 -14.472 -1.667 184 HE2 LYS 26 HE2 LYS 26 -5.271 -15.548 -1.875 185 HE3 LYS 26 HE3 LYS 26 -4.063 -16.757 -1.442 186 HZ1 LYS 26 HZ1 LYS 26 -3.971 -15.945 0.602 187 HZ2 LYS 26 HZ2 LYS 26 -5.249 -14.902 0.228 188 HZ3 LYS 26 HZ3 LYS 26 -3.650 -14.382 0.039 189 H ARG 27 H ARG 27 -1.215 -13.399 -6.307 190 HA ARG 27 HA ARG 27 0.020 -11.726 -4.376 191 HB2 ARG 27 HB2 ARG 27 2.070 -12.064 -5.727 192 HB3 ARG 27 HB3 ARG 27 1.245 -13.570 -5.346 193 HG2 ARG 27 HG2 ARG 27 0.216 -13.504 -7.611 194 HG3 ARG 27 HG3 ARG 27 1.224 -12.101 -7.971 195 HD2 ARG 27 HD2 ARG 27 2.252 -14.127 -8.829 196 HD3 ARG 27 HD3 ARG 27 3.230 -13.440 -7.533 197 HE ARG 27 HE ARG 27 1.390 -15.438 -6.617 198 HH11 ARG 27 HH11 ARG 27 4.521 -14.895 -8.038 199 HH12 ARG 27 HH12 ARG 27 5.187 -16.386 -7.460 200 HH21 ARG 27 HH21 ARG 27 2.256 -17.405 -5.850 201 HH22 ARG 27 HH22 ARG 27 3.897 -17.813 -6.216 202 H ASN 28 H ASN 28 -0.774 -11.304 -7.804 203 HA ASN 28 HA ASN 28 0.328 -8.657 -7.924 204 HB2 ASN 28 HB2 ASN 28 -1.119 -8.690 -10.132 205 HB3 ASN 28 HB3 ASN 28 0.367 -9.629 -10.016 206 HD21 ASN 28 HD21 ASN 28 0.267 -11.721 -10.440 207 HD22 ASN 28 HD22 ASN 28 -1.181 -12.655 -10.562 208 H CYS 29 H CYS 29 -3.017 -9.836 -8.343 209 HA CYS 29 HA CYS 29 -4.082 -7.215 -7.791 210 HB2 CYS 29 HB2 CYS 29 -4.980 -9.328 -9.261 211 HB3 CYS 29 HB3 CYS 29 -5.937 -9.506 -7.794 212 H ALA 30 H ALA 30 -2.840 -7.423 -5.612 213 HA ALA 30 HA ALA 30 -3.990 -8.996 -3.546 214 HB1 ALA 30 HB1 ALA 30 -2.650 -7.618 -2.028 215 HB2 ALA 30 HB2 ALA 30 -1.702 -8.182 -3.404 216 HB3 ALA 30 HB3 ALA 30 -2.282 -6.518 -3.356 217 H ILE 31 H ILE 31 -4.499 -5.695 -4.675 218 HA ILE 31 HA ILE 31 -6.102 -4.776 -2.569 219 HB ILE 31 HB ILE 31 -6.210 -3.998 -5.486 220 HG12 ILE 31 HG12 ILE 31 -3.998 -3.688 -4.421 221 HG13 ILE 31 HG13 ILE 31 -4.753 -2.155 -4.844 222 HG21 ILE 31 HG21 ILE 31 -7.244 -1.920 -4.679 223 HG22 ILE 31 HG22 ILE 31 -8.237 -3.334 -4.332 224 HG23 ILE 31 HG23 ILE 31 -7.286 -2.588 -3.048 225 HD11 ILE 31 HD11 ILE 31 -4.704 -3.383 -2.098 226 HD12 ILE 31 HD12 ILE 31 -3.674 -2.067 -2.663 227 HD13 ILE 31 HD13 ILE 31 -5.416 -1.829 -2.531 228 H THR 32 H THR 32 -6.836 -6.785 -5.330 229 HA THR 32 HA THR 32 -9.702 -6.634 -4.853 230 HB THR 32 HB THR 32 -8.143 -8.258 -6.874 231 HG1 THR 32 HG1 THR 32 -9.687 -5.878 -7.180 232 HG21 THR 32 HG21 THR 32 -10.309 -9.277 -6.313 233 HG22 THR 32 HG22 THR 32 -10.299 -8.635 -7.956 234 HG23 THR 32 HG23 THR 32 -11.114 -7.749 -6.667 235 H CYS 33 H CYS 33 -7.292 -9.260 -5.077 236 HA CYS 33 HA CYS 33 -9.005 -11.170 -3.838 237 HB2 CYS 33 HB2 CYS 33 -6.871 -11.445 -5.402 238 HB3 CYS 33 HB3 CYS 33 -6.048 -11.553 -3.849 239 H GLY 34 H GLY 34 -5.867 -9.900 -2.698 240 HA2 GLY 34 HA2 GLY 34 -6.050 -10.783 -0.081 241 HA3 GLY 34 HA3 GLY 34 -5.132 -9.373 -0.587 242 H ALA 35 H ALA 35 -7.479 -7.931 -1.541 243 HA ALA 35 HA ALA 35 -9.035 -6.451 -0.784 244 HB1 ALA 35 HB1 ALA 35 -10.680 -7.211 0.637 245 HB2 ALA 35 HB2 ALA 35 -9.998 -8.727 0.047 246 HB3 ALA 35 HB3 ALA 35 -9.546 -8.118 1.639 247 H CYS 36 H CYS 36 -6.513 -5.721 -0.238 248 HA CYS 36 HA CYS 36 -6.529 -4.820 2.563 249 HB2 CYS 36 HB2 CYS 36 -4.098 -4.384 2.217 250 HB3 CYS 36 HB3 CYS 36 -4.539 -6.077 2.024 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.731 0.810 -1.857 3 HB1 ALA 1 HB1 ALA 1 3.664 1.042 -0.232 4 HB2 ALA 1 HB2 ALA 1 4.011 -0.657 -0.558 5 HB3 ALA 1 HB3 ALA 1 4.070 0.522 -1.868 6 H CYS 2 H CYS 2 0.024 -1.459 -1.349 7 HA CYS 2 HA CYS 2 1.234 -3.375 -3.228 8 HB2 CYS 2 HB2 CYS 2 -0.122 -5.152 -2.035 9 HB3 CYS 2 HB3 CYS 2 1.247 -4.507 -1.135 10 H LYS 3 H LYS 3 -0.046 -1.590 -4.507 11 HA LYS 3 HA LYS 3 -2.890 -1.888 -4.597 12 HB2 LYS 3 HB2 LYS 3 -2.763 -0.439 -6.578 13 HB3 LYS 3 HB3 LYS 3 -1.835 0.217 -5.235 14 HG2 LYS 3 HG2 LYS 3 -0.330 0.536 -6.896 15 HG3 LYS 3 HG3 LYS 3 0.125 -1.105 -6.432 16 HD2 LYS 3 HD2 LYS 3 -0.850 -2.046 -8.300 17 HD3 LYS 3 HD3 LYS 3 -1.973 -0.701 -8.519 18 HE2 LYS 3 HE2 LYS 3 -0.386 -0.544 -10.269 19 HE3 LYS 3 HE3 LYS 3 0.025 0.718 -9.109 20 HZ1 LYS 3 HZ1 LYS 3 1.545 -1.219 -8.187 21 HZ2 LYS 3 HZ2 LYS 3 2.067 -0.176 -9.412 22 HZ3 LYS 3 HZ3 LYS 3 1.481 -1.713 -9.804 23 H ASP 4 H ASP 4 -4.112 -2.677 -6.415 24 HA ASP 4 HA ASP 4 -3.492 -5.257 -7.196 25 HB2 ASP 4 HB2 ASP 4 -5.208 -4.803 -9.070 26 HB3 ASP 4 HB3 ASP 4 -5.746 -4.645 -7.400 27 H VAL 5 H VAL 5 -1.826 -5.928 -8.366 28 HA VAL 5 HA VAL 5 -0.514 -4.209 -10.269 29 HB VAL 5 HB VAL 5 0.013 -7.140 -9.775 30 HG11 VAL 5 HG11 VAL 5 2.387 -5.903 -10.373 31 HG12 VAL 5 HG12 VAL 5 1.394 -6.821 -11.506 32 HG13 VAL 5 HG13 VAL 5 1.241 -5.066 -11.419 33 HG21 VAL 5 HG21 VAL 5 1.952 -5.976 -8.384 34 HG22 VAL 5 HG22 VAL 5 0.720 -4.728 -8.196 35 HG23 VAL 5 HG23 VAL 5 0.394 -6.377 -7.662 36 H PHE 6 H PHE 6 -2.626 -7.023 -10.370 37 HA PHE 6 HA PHE 6 -2.392 -7.372 -13.210 38 HB2 PHE 6 HB2 PHE 6 -3.901 -8.646 -11.002 39 HB3 PHE 6 HB3 PHE 6 -4.640 -8.738 -12.597 40 HD1 PHE 6 HD1 PHE 6 -1.011 -8.720 -11.941 41 HD2 PHE 6 HD2 PHE 6 -4.417 -11.062 -12.957 42 HE1 PHE 6 HE1 PHE 6 0.461 -10.608 -12.509 43 HE2 PHE 6 HE2 PHE 6 -2.950 -12.954 -13.526 44 HZ PHE 6 HZ PHE 6 -0.508 -12.728 -13.302 45 HA PRO 7 HA PRO 7 -5.473 -4.630 -14.701 46 HB2 PRO 7 HB2 PRO 7 -6.688 -6.103 -16.631 47 HB3 PRO 7 HB3 PRO 7 -5.054 -5.452 -16.805 48 HG2 PRO 7 HG2 PRO 7 -5.922 -8.213 -16.042 49 HG3 PRO 7 HG3 PRO 7 -4.629 -7.712 -17.147 50 HD2 PRO 7 HD2 PRO 7 -4.145 -8.506 -14.604 51 HD3 PRO 7 HD3 PRO 7 -3.153 -7.287 -15.429 52 H ALA 8 H ALA 8 -7.559 -4.017 -14.337 53 HA ALA 8 HA ALA 8 -9.106 -5.340 -12.437 54 HB1 ALA 8 HB1 ALA 8 -10.890 -3.759 -13.881 55 HB2 ALA 8 HB2 ALA 8 -9.980 -3.297 -12.442 56 HB3 ALA 8 HB3 ALA 8 -9.328 -2.957 -14.045 57 H ALA 9 H ALA 9 -9.231 -5.449 -15.956 58 HA ALA 9 HA ALA 9 -11.648 -6.704 -16.380 59 HB1 ALA 9 HB1 ALA 9 -10.693 -6.197 -18.369 60 HB2 ALA 9 HB2 ALA 9 -9.069 -6.618 -17.824 61 HB3 ALA 9 HB3 ALA 9 -10.200 -7.889 -18.289 62 H THR 10 H THR 10 -8.520 -8.211 -15.627 63 HA THR 10 HA THR 10 -9.599 -10.867 -15.608 64 HB THR 10 HB THR 10 -6.957 -9.818 -14.579 65 HG1 THR 10 HG1 THR 10 -7.567 -11.274 -16.953 66 HG21 THR 10 HG21 THR 10 -6.645 -11.815 -13.642 67 HG22 THR 10 HG22 THR 10 -6.804 -12.557 -15.234 68 HG23 THR 10 HG23 THR 10 -8.224 -12.361 -14.207 69 H CYS 11 H CYS 11 -8.432 -8.650 -13.076 70 HA CYS 11 HA CYS 11 -8.761 -10.109 -10.822 71 HB2 CYS 11 HB2 CYS 11 -9.604 -7.232 -11.223 72 HB3 CYS 11 HB3 CYS 11 -9.370 -7.999 -9.656 73 H ARG 12 H ARG 12 -11.382 -7.991 -11.995 74 HA ARG 12 HA ARG 12 -13.399 -8.958 -10.387 75 HB2 ARG 12 HB2 ARG 12 -14.971 -8.072 -12.038 76 HB3 ARG 12 HB3 ARG 12 -13.629 -6.963 -11.791 77 HG2 ARG 12 HG2 ARG 12 -12.616 -8.203 -13.860 78 HG3 ARG 12 HG3 ARG 12 -14.302 -8.626 -14.164 79 HD2 ARG 12 HD2 ARG 12 -14.666 -6.050 -13.736 80 HD3 ARG 12 HD3 ARG 12 -12.967 -5.965 -14.200 81 HE ARG 12 HE ARG 12 -13.606 -6.311 -16.359 82 HH11 ARG 12 HH11 ARG 12 -16.135 -7.459 -14.260 83 HH12 ARG 12 HH12 ARG 12 -17.223 -7.827 -15.557 84 HH21 ARG 12 HH21 ARG 12 -15.030 -6.792 -18.075 85 HH22 ARG 12 HH22 ARG 12 -16.593 -7.448 -17.727 86 H HIS 13 H HIS 13 -12.227 -10.235 -13.456 87 HA HIS 13 HA HIS 13 -14.248 -12.124 -13.912 88 HB2 HIS 13 HB2 HIS 13 -12.152 -11.327 -15.353 89 HB3 HIS 13 HB3 HIS 13 -11.447 -12.792 -14.677 90 HD1 HIS 13 HD1 HIS 13 -12.470 -12.097 -17.725 91 HD2 HIS 13 HD2 HIS 13 -14.147 -14.697 -14.953 92 HE1 HIS 13 HE1 HIS 13 -13.805 -13.748 -19.073 93 H ALA 14 H ALA 14 -11.362 -12.232 -11.917 94 HA ALA 14 HA ALA 14 -11.528 -15.033 -11.358 95 HB1 ALA 14 HB1 ALA 14 -10.111 -13.475 -9.361 96 HB2 ALA 14 HB2 ALA 14 -9.519 -14.739 -10.439 97 HB3 ALA 14 HB3 ALA 14 -9.614 -13.071 -11.005 98 H LYS 15 H LYS 15 -12.633 -12.087 -9.771 99 HA LYS 15 HA LYS 15 -13.495 -13.367 -7.375 100 HB2 LYS 15 HB2 LYS 15 -14.490 -10.743 -8.488 101 HB3 LYS 15 HB3 LYS 15 -14.506 -11.266 -6.809 102 HG2 LYS 15 HG2 LYS 15 -12.086 -10.595 -8.468 103 HG3 LYS 15 HG3 LYS 15 -12.752 -9.660 -7.127 104 HD2 LYS 15 HD2 LYS 15 -11.618 -12.450 -6.929 105 HD3 LYS 15 HD3 LYS 15 -10.786 -10.969 -6.450 106 HE2 LYS 15 HE2 LYS 15 -13.317 -12.096 -5.257 107 HE3 LYS 15 HE3 LYS 15 -11.726 -12.035 -4.499 108 HZ1 LYS 15 HZ1 LYS 15 -13.452 -9.725 -5.202 109 HZ2 LYS 15 HZ2 LYS 15 -11.862 -9.583 -4.642 110 HZ3 LYS 15 HZ3 LYS 15 -13.052 -10.260 -3.648 111 H SER 16 H SER 16 -15.216 -12.171 -10.252 112 HA SER 16 HA SER 16 -17.804 -12.665 -9.650 113 HB2 SER 16 HB2 SER 16 -18.245 -12.675 -11.918 114 HB3 SER 16 HB3 SER 16 -16.622 -11.984 -11.917 115 HG SER 16 HG SER 16 -17.479 -14.254 -13.051 116 H VAL 17 H VAL 17 -15.412 -15.094 -10.594 117 HA VAL 17 HA VAL 17 -17.360 -17.234 -10.234 118 HB VAL 17 HB VAL 17 -15.578 -18.734 -11.016 119 HG11 VAL 17 HG11 VAL 17 -15.345 -17.768 -13.317 120 HG12 VAL 17 HG12 VAL 17 -16.997 -17.816 -12.698 121 HG13 VAL 17 HG13 VAL 17 -16.101 -16.296 -12.706 122 HG21 VAL 17 HG21 VAL 17 -13.643 -17.610 -10.112 123 HG22 VAL 17 HG22 VAL 17 -13.463 -17.762 -11.860 124 HG23 VAL 17 HG23 VAL 17 -13.925 -16.214 -11.153 125 H GLY 18 H GLY 18 -14.483 -15.902 -8.719 126 HA2 GLY 18 HA2 GLY 18 -14.081 -16.053 -6.386 127 HA3 GLY 18 HA3 GLY 18 -15.078 -17.500 -6.334 128 H ASN 19 H ASN 19 -12.291 -16.641 -8.372 129 HA ASN 19 HA ASN 19 -11.089 -19.218 -7.717 130 HB2 ASN 19 HB2 ASN 19 -11.159 -17.576 -10.036 131 HB3 ASN 19 HB3 ASN 19 -9.478 -17.694 -9.523 132 HD21 ASN 19 HD21 ASN 19 -10.606 -18.779 -11.896 133 HD22 ASN 19 HD22 ASN 19 -10.422 -20.496 -11.819 134 H CYS 20 H CYS 20 -11.152 -16.592 -6.055 135 HA CYS 20 HA CYS 20 -8.573 -15.576 -5.796 136 HB2 CYS 20 HB2 CYS 20 -10.787 -14.792 -4.710 137 HB3 CYS 20 HB3 CYS 20 -10.397 -15.937 -3.431 138 H SER 21 H SER 21 -9.937 -18.568 -4.685 139 HA SER 21 HA SER 21 -8.216 -19.252 -2.622 140 HB2 SER 21 HB2 SER 21 -10.210 -20.570 -3.270 141 HB3 SER 21 HB3 SER 21 -9.362 -21.115 -4.717 142 HG SER 21 HG SER 21 -8.403 -21.531 -2.082 143 H SER 22 H SER 22 -7.714 -19.343 -6.089 144 HA SER 22 HA SER 22 -5.410 -20.931 -6.169 145 HB2 SER 22 HB2 SER 22 -6.929 -19.814 -8.069 146 HB3 SER 22 HB3 SER 22 -5.612 -18.642 -8.061 147 HG SER 22 HG SER 22 -5.082 -21.407 -8.175 148 H GLU 23 H GLU 23 -3.392 -19.536 -7.337 149 HA GLU 23 HA GLU 23 -2.573 -17.613 -5.259 150 HB2 GLU 23 HB2 GLU 23 -1.360 -19.682 -4.936 151 HB3 GLU 23 HB3 GLU 23 -0.904 -19.724 -6.633 152 HG2 GLU 23 HG2 GLU 23 0.640 -18.019 -6.399 153 HG3 GLU 23 HG3 GLU 23 -0.100 -17.417 -4.916 154 H LYS 24 H LYS 24 -2.423 -18.555 -8.636 155 HA LYS 24 HA LYS 24 -0.677 -16.681 -9.661 156 HB2 LYS 24 HB2 LYS 24 -1.656 -18.464 -11.013 157 HB3 LYS 24 HB3 LYS 24 -3.239 -17.706 -10.897 158 HG2 LYS 24 HG2 LYS 24 -2.593 -15.904 -12.264 159 HG3 LYS 24 HG3 LYS 24 -0.881 -16.310 -12.123 160 HD2 LYS 24 HD2 LYS 24 -0.989 -17.835 -13.769 161 HD3 LYS 24 HD3 LYS 24 -2.539 -18.467 -13.210 162 HE2 LYS 24 HE2 LYS 24 -3.629 -17.319 -14.770 163 HE3 LYS 24 HE3 LYS 24 -2.871 -15.813 -14.255 164 HZ1 LYS 24 HZ1 LYS 24 -0.868 -16.692 -15.584 165 HZ2 LYS 24 HZ2 LYS 24 -2.175 -16.028 -16.428 166 HZ3 LYS 24 HZ3 LYS 24 -1.995 -17.707 -16.334 167 H TYR 25 H TYR 25 -4.011 -16.273 -8.651 168 HA TYR 25 HA TYR 25 -3.761 -13.388 -9.202 169 HB2 TYR 25 HB2 TYR 25 -6.506 -14.136 -8.943 170 HB3 TYR 25 HB3 TYR 25 -5.681 -13.454 -10.340 171 HD1 TYR 25 HD1 TYR 25 -4.656 -14.981 -12.028 172 HD2 TYR 25 HD2 TYR 25 -7.113 -16.432 -8.872 173 HE1 TYR 25 HE1 TYR 25 -4.963 -17.095 -13.247 174 HE2 TYR 25 HE2 TYR 25 -7.426 -18.550 -10.082 175 HH TYR 25 HH TYR 25 -6.759 -18.954 -13.284 176 H LYS 26 H LYS 26 -2.947 -14.771 -6.806 177 HA LYS 26 HA LYS 26 -4.797 -13.513 -4.891 178 HB2 LYS 26 HB2 LYS 26 -4.824 -16.065 -4.924 179 HB3 LYS 26 HB3 LYS 26 -3.187 -15.989 -4.284 180 HG2 LYS 26 HG2 LYS 26 -4.494 -14.347 -2.567 181 HG3 LYS 26 HG3 LYS 26 -5.757 -15.515 -2.959 182 HD2 LYS 26 HD2 LYS 26 -3.083 -16.626 -2.371 183 HD3 LYS 26 HD3 LYS 26 -3.940 -15.892 -1.013 184 HE2 LYS 26 HE2 LYS 26 -5.588 -17.650 -2.683 185 HE3 LYS 26 HE3 LYS 26 -4.255 -18.465 -1.866 186 HZ1 LYS 26 HZ1 LYS 26 -5.058 -17.403 0.224 187 HZ2 LYS 26 HZ2 LYS 26 -6.126 -18.536 -0.436 188 HZ3 LYS 26 HZ3 LYS 26 -6.430 -16.882 -0.617 189 H ARG 27 H ARG 27 -2.509 -12.313 -6.100 190 HA ARG 27 HA ARG 27 -1.075 -11.584 -3.694 191 HB2 ARG 27 HB2 ARG 27 1.156 -11.892 -4.852 192 HB3 ARG 27 HB3 ARG 27 0.348 -13.368 -4.340 193 HG2 ARG 27 HG2 ARG 27 -0.526 -13.573 -6.690 194 HG3 ARG 27 HG3 ARG 27 0.566 -12.256 -7.122 195 HD2 ARG 27 HD2 ARG 27 1.273 -14.984 -6.066 196 HD3 ARG 27 HD3 ARG 27 1.691 -14.284 -7.629 197 HE ARG 27 HE ARG 27 2.777 -12.655 -5.643 198 HH11 ARG 27 HH11 ARG 27 3.143 -15.886 -6.886 199 HH12 ARG 27 HH12 ARG 27 4.819 -16.000 -6.462 200 HH21 ARG 27 HH21 ARG 27 4.984 -12.792 -5.080 201 HH22 ARG 27 HH22 ARG 27 5.865 -14.239 -5.434 202 H ASN 28 H ASN 28 -1.168 -11.249 -7.235 203 HA ASN 28 HA ASN 28 -0.076 -8.639 -7.284 204 HB2 ASN 28 HB2 ASN 28 -1.293 -8.636 -9.609 205 HB3 ASN 28 HB3 ASN 28 0.086 -9.697 -9.339 206 HD21 ASN 28 HD21 ASN 28 -0.184 -11.862 -9.415 207 HD22 ASN 28 HD22 ASN 28 -1.684 -12.639 -9.780 208 H CYS 29 H CYS 29 -3.428 -9.672 -7.948 209 HA CYS 29 HA CYS 29 -4.405 -6.990 -7.540 210 HB2 CYS 29 HB2 CYS 29 -5.278 -9.039 -9.075 211 HB3 CYS 29 HB3 CYS 29 -6.331 -9.232 -7.677 212 H ALA 30 H ALA 30 -3.257 -7.440 -5.248 213 HA ALA 30 HA ALA 30 -4.637 -8.848 -3.264 214 HB1 ALA 30 HB1 ALA 30 -3.396 -7.517 -1.666 215 HB2 ALA 30 HB2 ALA 30 -2.348 -7.986 -3.005 216 HB3 ALA 30 HB3 ALA 30 -2.990 -6.345 -2.920 217 H ILE 31 H ILE 31 -4.921 -5.464 -4.298 218 HA ILE 31 HA ILE 31 -6.710 -4.538 -2.408 219 HB ILE 31 HB ILE 31 -6.616 -3.826 -5.342 220 HG12 ILE 31 HG12 ILE 31 -4.484 -3.469 -4.186 221 HG13 ILE 31 HG13 ILE 31 -5.238 -1.932 -4.595 222 HG21 ILE 31 HG21 ILE 31 -7.866 -2.364 -3.020 223 HG22 ILE 31 HG22 ILE 31 -7.701 -1.729 -4.656 224 HG23 ILE 31 HG23 ILE 31 -8.721 -3.135 -4.356 225 HD11 ILE 31 HD11 ILE 31 -5.125 -3.250 -1.897 226 HD12 ILE 31 HD12 ILE 31 -4.336 -1.757 -2.404 227 HD13 ILE 31 HD13 ILE 31 -6.092 -1.820 -2.257 228 H THR 32 H THR 32 -7.286 -6.581 -5.187 229 HA THR 32 HA THR 32 -10.174 -6.420 -4.874 230 HB THR 32 HB THR 32 -8.486 -8.026 -6.802 231 HG1 THR 32 HG1 THR 32 -9.812 -5.537 -6.921 232 HG21 THR 32 HG21 THR 32 -10.315 -9.209 -7.267 233 HG22 THR 32 HG22 THR 32 -11.137 -7.718 -7.727 234 HG23 THR 32 HG23 THR 32 -11.238 -8.304 -6.067 235 H CYS 33 H CYS 33 -7.807 -9.091 -5.016 236 HA CYS 33 HA CYS 33 -9.524 -11.036 -3.951 237 HB2 CYS 33 HB2 CYS 33 -6.849 -10.914 -4.865 238 HB3 CYS 33 HB3 CYS 33 -6.800 -11.608 -3.248 239 H GLY 34 H GLY 34 -6.674 -9.680 -2.285 240 HA2 GLY 34 HA2 GLY 34 -7.359 -8.534 -0.088 241 HA3 GLY 34 HA3 GLY 34 -8.099 -10.089 0.260 242 H ALA 35 H ALA 35 -4.969 -9.215 -1.191 243 HA ALA 35 HA ALA 35 -3.627 -11.206 0.398 244 HB1 ALA 35 HB1 ALA 35 -2.120 -9.187 -1.185 245 HB2 ALA 35 HB2 ALA 35 -1.826 -10.914 -0.983 246 HB3 ALA 35 HB3 ALA 35 -3.122 -10.358 -2.041 247 H CYS 36 H CYS 36 -3.910 -7.700 0.372 248 HA CYS 36 HA CYS 36 -2.616 -7.640 3.007 249 HB2 CYS 36 HB2 CYS 36 -1.574 -5.432 2.326 250 HB3 CYS 36 HB3 CYS 36 -0.881 -6.867 1.577 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.565 1.254 -0.826 2 HA ALA 1 HA ALA 1 2.674 -0.340 -2.120 3 HB1 ALA 1 HB1 ALA 1 2.956 0.599 0.394 4 HB2 ALA 1 HB2 ALA 1 2.156 -0.940 0.714 5 HB3 ALA 1 HB3 ALA 1 3.673 -0.906 -0.183 6 H CYS 2 H CYS 2 2.317 -2.616 -2.149 7 HA CYS 2 HA CYS 2 1.024 -4.437 -2.596 8 HB2 CYS 2 HB2 CYS 2 -0.102 -3.387 -0.022 9 HB3 CYS 2 HB3 CYS 2 -0.854 -4.773 -0.806 10 H LYS 3 H LYS 3 0.389 -2.796 -4.437 11 HA LYS 3 HA LYS 3 -2.518 -2.359 -4.383 12 HB2 LYS 3 HB2 LYS 3 -2.164 -0.813 -6.247 13 HB3 LYS 3 HB3 LYS 3 -1.176 -0.367 -4.862 14 HG2 LYS 3 HG2 LYS 3 0.378 -0.145 -6.494 15 HG3 LYS 3 HG3 LYS 3 0.612 -1.857 -6.131 16 HD2 LYS 3 HD2 LYS 3 -0.462 -2.546 -8.056 17 HD3 LYS 3 HD3 LYS 3 -1.386 -1.049 -8.200 18 HE2 LYS 3 HE2 LYS 3 0.227 -0.996 -9.926 19 HE3 LYS 3 HE3 LYS 3 0.806 0.109 -8.681 20 HZ1 LYS 3 HZ1 LYS 3 2.424 -1.409 -7.992 21 HZ2 LYS 3 HZ2 LYS 3 2.483 -1.480 -9.681 22 HZ3 LYS 3 HZ3 LYS 3 1.707 -2.705 -8.810 23 H ASP 4 H ASP 4 -3.791 -2.970 -6.195 24 HA ASP 4 HA ASP 4 -3.384 -5.532 -7.152 25 HB2 ASP 4 HB2 ASP 4 -5.159 -5.034 -8.798 26 HB3 ASP 4 HB3 ASP 4 -5.574 -4.464 -7.184 27 H VAL 5 H VAL 5 -1.686 -6.189 -8.300 28 HA VAL 5 HA VAL 5 -0.346 -4.460 -10.175 29 HB VAL 5 HB VAL 5 0.120 -7.411 -9.742 30 HG11 VAL 5 HG11 VAL 5 2.512 -6.464 -10.369 31 HG12 VAL 5 HG12 VAL 5 1.346 -6.937 -11.607 32 HG13 VAL 5 HG13 VAL 5 1.542 -5.236 -11.181 33 HG21 VAL 5 HG21 VAL 5 2.053 -6.450 -8.296 34 HG22 VAL 5 HG22 VAL 5 1.020 -5.025 -8.179 35 HG23 VAL 5 HG23 VAL 5 0.437 -6.586 -7.603 36 H PHE 6 H PHE 6 -2.566 -7.176 -10.314 37 HA PHE 6 HA PHE 6 -2.344 -7.472 -13.171 38 HB2 PHE 6 HB2 PHE 6 -3.802 -8.813 -10.978 39 HB3 PHE 6 HB3 PHE 6 -4.612 -8.822 -12.541 40 HD1 PHE 6 HD1 PHE 6 -0.970 -8.969 -11.864 41 HD2 PHE 6 HD2 PHE 6 -4.435 -11.052 -13.197 42 HE1 PHE 6 HE1 PHE 6 0.441 -10.853 -12.579 43 HE2 PHE 6 HE2 PHE 6 -3.029 -12.939 -13.913 44 HZ PHE 6 HZ PHE 6 -0.588 -12.842 -13.604 45 HA PRO 7 HA PRO 7 -5.419 -4.659 -14.535 46 HB2 PRO 7 HB2 PRO 7 -6.677 -6.062 -16.490 47 HB3 PRO 7 HB3 PRO 7 -5.039 -5.422 -16.669 48 HG2 PRO 7 HG2 PRO 7 -5.923 -8.196 -15.975 49 HG3 PRO 7 HG3 PRO 7 -4.641 -7.675 -17.084 50 HD2 PRO 7 HD2 PRO 7 -4.129 -8.549 -14.573 51 HD3 PRO 7 HD3 PRO 7 -3.137 -7.315 -15.375 52 H ALA 8 H ALA 8 -7.492 -4.037 -14.121 53 HA ALA 8 HA ALA 8 -9.025 -5.399 -12.238 54 HB1 ALA 8 HB1 ALA 8 -9.594 -3.132 -14.100 55 HB2 ALA 8 HB2 ALA 8 -10.888 -3.817 -13.118 56 HB3 ALA 8 HB3 ALA 8 -9.461 -3.133 -12.341 57 H ALA 9 H ALA 9 -9.213 -5.399 -15.758 58 HA ALA 9 HA ALA 9 -11.645 -6.630 -16.170 59 HB1 ALA 9 HB1 ALA 9 -10.230 -7.756 -18.147 60 HB2 ALA 9 HB2 ALA 9 -10.744 -6.068 -18.167 61 HB3 ALA 9 HB3 ALA 9 -9.104 -6.485 -17.669 62 H THR 10 H THR 10 -8.508 -8.160 -15.515 63 HA THR 10 HA THR 10 -9.572 -10.818 -15.589 64 HB THR 10 HB THR 10 -6.940 -9.805 -14.498 65 HG1 THR 10 HG1 THR 10 -6.168 -10.659 -16.516 66 HG21 THR 10 HG21 THR 10 -6.624 -11.852 -13.677 67 HG22 THR 10 HG22 THR 10 -6.769 -12.500 -15.311 68 HG23 THR 10 HG23 THR 10 -8.196 -12.371 -14.284 69 H CYS 11 H CYS 11 -8.461 -8.665 -12.980 70 HA CYS 11 HA CYS 11 -8.757 -10.204 -10.775 71 HB2 CYS 11 HB2 CYS 11 -9.688 -7.342 -11.083 72 HB3 CYS 11 HB3 CYS 11 -9.420 -8.152 -9.543 73 H ARG 12 H ARG 12 -11.433 -8.119 -11.881 74 HA ARG 12 HA ARG 12 -13.426 -9.197 -10.317 75 HB2 ARG 12 HB2 ARG 12 -15.017 -8.308 -11.956 76 HB3 ARG 12 HB3 ARG 12 -13.720 -7.164 -11.641 77 HG2 ARG 12 HG2 ARG 12 -12.645 -8.317 -13.749 78 HG3 ARG 12 HG3 ARG 12 -14.327 -8.719 -14.097 79 HD2 ARG 12 HD2 ARG 12 -14.672 -6.157 -13.528 80 HD3 ARG 12 HD3 ARG 12 -12.978 -6.072 -14.009 81 HE ARG 12 HE ARG 12 -13.655 -6.289 -16.170 82 HH11 ARG 12 HH11 ARG 12 -16.140 -7.582 -14.105 83 HH12 ARG 12 HH12 ARG 12 -17.240 -7.898 -15.406 84 HH21 ARG 12 HH21 ARG 12 -15.094 -6.699 -17.892 85 HH22 ARG 12 HH22 ARG 12 -16.643 -7.396 -17.560 86 H HIS 13 H HIS 13 -12.196 -10.345 -13.411 87 HA HIS 13 HA HIS 13 -14.151 -12.243 -14.003 88 HB2 HIS 13 HB2 HIS 13 -11.986 -11.418 -15.305 89 HB3 HIS 13 HB3 HIS 13 -11.300 -12.880 -14.601 90 HD1 HIS 13 HD1 HIS 13 -12.838 -11.813 -17.577 91 HD2 HIS 13 HD2 HIS 13 -13.254 -15.181 -15.180 92 HE1 HIS 13 HE1 HIS 13 -13.888 -13.561 -19.049 93 H ALA 14 H ALA 14 -11.263 -12.491 -11.979 94 HA ALA 14 HA ALA 14 -11.544 -15.271 -11.440 95 HB1 ALA 14 HB1 ALA 14 -9.566 -15.047 -10.437 96 HB2 ALA 14 HB2 ALA 14 -9.592 -13.377 -11.004 97 HB3 ALA 14 HB3 ALA 14 -10.154 -13.765 -9.378 98 H LYS 15 H LYS 15 -12.376 -12.342 -9.605 99 HA LYS 15 HA LYS 15 -13.394 -13.619 -7.331 100 HB2 LYS 15 HB2 LYS 15 -14.384 -10.999 -8.457 101 HB3 LYS 15 HB3 LYS 15 -14.415 -11.520 -6.778 102 HG2 LYS 15 HG2 LYS 15 -11.981 -10.842 -8.414 103 HG3 LYS 15 HG3 LYS 15 -12.663 -9.910 -7.079 104 HD2 LYS 15 HD2 LYS 15 -11.511 -12.693 -6.878 105 HD3 LYS 15 HD3 LYS 15 -10.703 -11.206 -6.376 106 HE2 LYS 15 HE2 LYS 15 -13.250 -12.350 -5.234 107 HE3 LYS 15 HE3 LYS 15 -11.670 -12.317 -4.453 108 HZ1 LYS 15 HZ1 LYS 15 -11.796 -9.843 -4.610 109 HZ2 LYS 15 HZ2 LYS 15 -12.933 -10.540 -3.571 110 HZ3 LYS 15 HZ3 LYS 15 -13.406 -10.004 -5.104 111 H SER 16 H SER 16 -15.105 -12.396 -10.205 112 HA SER 16 HA SER 16 -17.690 -12.926 -9.620 113 HB2 SER 16 HB2 SER 16 -16.696 -12.080 -11.824 114 HB3 SER 16 HB3 SER 16 -16.530 -13.778 -12.272 115 HG SER 16 HG SER 16 -18.518 -12.786 -12.973 116 H VAL 17 H VAL 17 -15.452 -15.332 -11.006 117 HA VAL 17 HA VAL 17 -17.307 -17.486 -10.659 118 HB VAL 17 HB VAL 17 -15.414 -18.942 -11.306 119 HG11 VAL 17 HG11 VAL 17 -15.086 -17.974 -13.577 120 HG12 VAL 17 HG12 VAL 17 -16.771 -18.025 -13.058 121 HG13 VAL 17 HG13 VAL 17 -15.880 -16.503 -13.015 122 HG21 VAL 17 HG21 VAL 17 -13.847 -16.364 -11.361 123 HG22 VAL 17 HG22 VAL 17 -13.607 -17.705 -10.241 124 HG23 VAL 17 HG23 VAL 17 -13.280 -17.923 -11.961 125 H GLY 18 H GLY 18 -14.614 -16.169 -8.836 126 HA2 GLY 18 HA2 GLY 18 -14.526 -16.418 -6.454 127 HA3 GLY 18 HA3 GLY 18 -15.334 -17.969 -6.623 128 H ASN 19 H ASN 19 -12.588 -16.868 -8.534 129 HA ASN 19 HA ASN 19 -11.087 -19.198 -7.615 130 HB2 ASN 19 HB2 ASN 19 -11.325 -17.827 -10.095 131 HB3 ASN 19 HB3 ASN 19 -9.650 -17.687 -9.570 132 HD21 ASN 19 HD21 ASN 19 -10.625 -19.146 -11.815 133 HD22 ASN 19 HD22 ASN 19 -10.230 -20.808 -11.559 134 H CYS 20 H CYS 20 -11.495 -16.635 -6.066 135 HA CYS 20 HA CYS 20 -9.047 -15.229 -5.964 136 HB2 CYS 20 HB2 CYS 20 -11.171 -14.343 -5.062 137 HB3 CYS 20 HB3 CYS 20 -11.129 -15.562 -3.793 138 H SER 21 H SER 21 -10.061 -18.256 -4.661 139 HA SER 21 HA SER 21 -8.342 -18.504 -2.470 140 HB2 SER 21 HB2 SER 21 -9.211 -20.731 -4.325 141 HB3 SER 21 HB3 SER 21 -8.698 -20.892 -2.646 142 HG SER 21 HG SER 21 -10.586 -20.150 -1.977 143 H SER 22 H SER 22 -7.790 -18.944 -5.903 144 HA SER 22 HA SER 22 -5.341 -20.297 -5.797 145 HB2 SER 22 HB2 SER 22 -5.885 -18.249 -7.920 146 HB3 SER 22 HB3 SER 22 -5.140 -19.840 -8.071 147 HG SER 22 HG SER 22 -7.065 -20.414 -8.696 148 H GLU 23 H GLU 23 -3.347 -19.032 -6.927 149 HA GLU 23 HA GLU 23 -2.813 -16.696 -5.211 150 HB2 GLU 23 HB2 GLU 23 -1.478 -18.497 -4.397 151 HB3 GLU 23 HB3 GLU 23 -0.988 -18.955 -6.022 152 HG2 GLU 23 HG2 GLU 23 -0.298 -16.214 -5.210 153 HG3 GLU 23 HG3 GLU 23 0.527 -17.506 -4.340 154 H LYS 24 H LYS 24 -2.424 -18.184 -8.355 155 HA LYS 24 HA LYS 24 -0.697 -16.404 -9.588 156 HB2 LYS 24 HB2 LYS 24 -1.400 -18.427 -10.700 157 HB3 LYS 24 HB3 LYS 24 -3.073 -17.886 -10.724 158 HG2 LYS 24 HG2 LYS 24 -2.561 -16.162 -12.302 159 HG3 LYS 24 HG3 LYS 24 -0.832 -16.492 -12.170 160 HD2 LYS 24 HD2 LYS 24 -1.030 -18.552 -13.284 161 HD3 LYS 24 HD3 LYS 24 -2.782 -18.595 -13.068 162 HE2 LYS 24 HE2 LYS 24 -3.129 -16.939 -14.697 163 HE3 LYS 24 HE3 LYS 24 -1.436 -16.448 -14.681 164 HZ1 LYS 24 HZ1 LYS 24 -2.327 -17.914 -16.597 165 HZ2 LYS 24 HZ2 LYS 24 -2.152 -19.184 -15.493 166 HZ3 LYS 24 HZ3 LYS 24 -0.809 -18.253 -15.933 167 H TYR 25 H TYR 25 -3.995 -15.969 -8.627 168 HA TYR 25 HA TYR 25 -3.927 -13.253 -9.760 169 HB2 TYR 25 HB2 TYR 25 -6.635 -14.124 -9.508 170 HB3 TYR 25 HB3 TYR 25 -5.769 -13.642 -10.962 171 HD1 TYR 25 HD1 TYR 25 -4.459 -15.402 -12.224 172 HD2 TYR 25 HD2 TYR 25 -7.219 -16.375 -9.136 173 HE1 TYR 25 HE1 TYR 25 -4.575 -17.711 -13.064 174 HE2 TYR 25 HE2 TYR 25 -7.343 -18.687 -9.966 175 HH TYR 25 HH TYR 25 -6.752 -19.707 -12.664 176 H LYS 26 H LYS 26 -3.149 -14.082 -7.138 177 HA LYS 26 HA LYS 26 -5.204 -12.687 -5.554 178 HB2 LYS 26 HB2 LYS 26 -5.108 -15.141 -5.064 179 HB3 LYS 26 HB3 LYS 26 -3.441 -14.926 -4.547 180 HG2 LYS 26 HG2 LYS 26 -4.694 -13.045 -3.050 181 HG3 LYS 26 HG3 LYS 26 -5.946 -14.284 -3.167 182 HD2 LYS 26 HD2 LYS 26 -3.123 -14.990 -2.435 183 HD3 LYS 26 HD3 LYS 26 -4.267 -14.418 -1.218 184 HE2 LYS 26 HE2 LYS 26 -5.708 -16.332 -2.565 185 HE3 LYS 26 HE3 LYS 26 -4.079 -17.008 -2.553 186 HZ1 LYS 26 HZ1 LYS 26 -4.010 -16.907 -0.206 187 HZ2 LYS 26 HZ2 LYS 26 -5.498 -17.605 -0.604 188 HZ3 LYS 26 HZ3 LYS 26 -5.427 -15.987 -0.118 189 H ARG 27 H ARG 27 -1.770 -13.565 -5.768 190 HA ARG 27 HA ARG 27 -0.840 -11.786 -3.802 191 HB2 ARG 27 HB2 ARG 27 1.369 -12.047 -4.924 192 HB3 ARG 27 HB3 ARG 27 0.571 -13.574 -4.576 193 HG2 ARG 27 HG2 ARG 27 -0.226 -13.605 -6.944 194 HG3 ARG 27 HG3 ARG 27 0.792 -12.194 -7.238 195 HD2 ARG 27 HD2 ARG 27 1.771 -14.852 -6.204 196 HD3 ARG 27 HD3 ARG 27 1.870 -14.324 -7.883 197 HE ARG 27 HE ARG 27 3.556 -13.504 -5.705 198 HH11 ARG 27 HH11 ARG 27 2.298 -12.639 -8.834 199 HH12 ARG 27 HH12 ARG 27 3.609 -11.571 -9.210 200 HH21 ARG 27 HH21 ARG 27 5.288 -12.101 -6.189 201 HH22 ARG 27 HH22 ARG 27 5.310 -11.266 -7.706 202 H ASN 28 H ASN 28 -1.179 -11.415 -7.315 203 HA ASN 28 HA ASN 28 -0.118 -8.784 -7.406 204 HB2 ASN 28 HB2 ASN 28 -1.494 -8.799 -9.653 205 HB3 ASN 28 HB3 ASN 28 -0.050 -9.793 -9.482 206 HD21 ASN 28 HD21 ASN 28 -0.218 -11.968 -9.565 207 HD22 ASN 28 HD22 ASN 28 -1.698 -12.815 -9.843 208 H CYS 29 H CYS 29 -3.477 -9.831 -8.002 209 HA CYS 29 HA CYS 29 -4.466 -7.187 -7.418 210 HB2 CYS 29 HB2 CYS 29 -5.360 -9.183 -9.030 211 HB3 CYS 29 HB3 CYS 29 -6.394 -9.416 -7.624 212 H ALA 30 H ALA 30 -3.491 -7.320 -5.187 213 HA ALA 30 HA ALA 30 -4.768 -8.982 -3.237 214 HB1 ALA 30 HB1 ALA 30 -2.636 -6.973 -3.271 215 HB2 ALA 30 HB2 ALA 30 -3.584 -7.007 -1.784 216 HB3 ALA 30 HB3 ALA 30 -2.775 -8.470 -2.347 217 H ILE 31 H ILE 31 -5.044 -5.587 -4.205 218 HA ILE 31 HA ILE 31 -6.786 -4.704 -2.226 219 HB ILE 31 HB ILE 31 -6.689 -3.841 -5.119 220 HG12 ILE 31 HG12 ILE 31 -5.308 -2.750 -2.657 221 HG13 ILE 31 HG13 ILE 31 -4.533 -3.606 -3.985 222 HG21 ILE 31 HG21 ILE 31 -7.857 -2.453 -2.710 223 HG22 ILE 31 HG22 ILE 31 -7.714 -1.761 -4.325 224 HG23 ILE 31 HG23 ILE 31 -8.763 -3.152 -4.052 225 HD11 ILE 31 HD11 ILE 31 -4.150 -1.234 -4.174 226 HD12 ILE 31 HD12 ILE 31 -5.175 -1.785 -5.500 227 HD13 ILE 31 HD13 ILE 31 -5.886 -0.923 -4.136 228 H THR 32 H THR 32 -7.380 -6.682 -5.023 229 HA THR 32 HA THR 32 -10.268 -6.419 -4.792 230 HB THR 32 HB THR 32 -8.574 -8.086 -6.662 231 HG1 THR 32 HG1 THR 32 -10.231 -5.932 -7.416 232 HG21 THR 32 HG21 THR 32 -11.151 -7.781 -7.707 233 HG22 THR 32 HG22 THR 32 -11.383 -8.237 -6.019 234 HG23 THR 32 HG23 THR 32 -10.422 -9.261 -7.086 235 H CYS 33 H CYS 33 -7.870 -9.054 -4.626 236 HA CYS 33 HA CYS 33 -9.705 -10.995 -3.690 237 HB2 CYS 33 HB2 CYS 33 -6.960 -10.905 -4.422 238 HB3 CYS 33 HB3 CYS 33 -7.054 -11.611 -2.812 239 H GLY 34 H GLY 34 -6.936 -9.645 -1.889 240 HA2 GLY 34 HA2 GLY 34 -7.615 -8.438 0.235 241 HA3 GLY 34 HA3 GLY 34 -8.570 -9.877 0.559 242 H ALA 35 H ALA 35 -5.301 -9.669 -0.784 243 HA ALA 35 HA ALA 35 -4.373 -11.577 1.186 244 HB1 ALA 35 HB1 ALA 35 -2.150 -10.946 -0.207 245 HB2 ALA 35 HB2 ALA 35 -3.325 -12.157 -0.722 246 HB3 ALA 35 HB3 ALA 35 -3.395 -10.523 -1.383 247 H CYS 36 H CYS 36 -2.833 -8.588 0.010 248 HA CYS 36 HA CYS 36 -1.451 -8.194 2.475 249 HB2 CYS 36 HB2 CYS 36 -0.846 -7.431 0.033 250 HB3 CYS 36 HB3 CYS 36 -1.788 -6.006 0.459 Start of MODEL 4 1 H1 ALA 1 H ALA 1 1.590 0.028 -1.880 2 HA ALA 1 HA ALA 1 4.155 -1.422 -1.851 3 HB1 ALA 1 HB1 ALA 1 2.875 -0.121 0.310 4 HB2 ALA 1 HB2 ALA 1 2.761 -1.858 0.591 5 HB3 ALA 1 HB3 ALA 1 4.336 -1.108 0.336 6 H CYS 2 H CYS 2 0.648 -1.632 -1.432 7 HA CYS 2 HA CYS 2 0.778 -4.412 -2.368 8 HB2 CYS 2 HB2 CYS 2 -1.120 -4.918 -0.760 9 HB3 CYS 2 HB3 CYS 2 0.465 -4.684 -0.029 10 H LYS 3 H LYS 3 0.289 -2.555 -4.164 11 HA LYS 3 HA LYS 3 -2.602 -2.167 -4.378 12 HB2 LYS 3 HB2 LYS 3 -2.078 -0.672 -6.239 13 HB3 LYS 3 HB3 LYS 3 -1.167 -0.225 -4.802 14 HG2 LYS 3 HG2 LYS 3 0.538 -0.114 -6.261 15 HG3 LYS 3 HG3 LYS 3 0.612 -1.856 -5.981 16 HD2 LYS 3 HD2 LYS 3 0.520 -1.926 -8.241 17 HD3 LYS 3 HD3 LYS 3 -1.215 -1.792 -7.949 18 HE2 LYS 3 HE2 LYS 3 -0.613 -0.205 -9.638 19 HE3 LYS 3 HE3 LYS 3 -0.992 0.679 -8.161 20 HZ1 LYS 3 HZ1 LYS 3 1.780 -0.007 -8.348 21 HZ2 LYS 3 HZ2 LYS 3 1.059 1.496 -8.063 22 HZ3 LYS 3 HZ3 LYS 3 1.271 0.948 -9.649 23 H ASP 4 H ASP 4 -3.800 -2.878 -6.163 24 HA ASP 4 HA ASP 4 -3.210 -5.440 -7.113 25 HB2 ASP 4 HB2 ASP 4 -5.051 -4.884 -8.831 26 HB3 ASP 4 HB3 ASP 4 -5.482 -4.856 -7.123 27 H VAL 5 H VAL 5 -1.572 -5.957 -8.401 28 HA VAL 5 HA VAL 5 -0.454 -4.076 -10.276 29 HB VAL 5 HB VAL 5 0.228 -7.002 -9.990 30 HG11 VAL 5 HG11 VAL 5 2.515 -5.861 -10.692 31 HG12 VAL 5 HG12 VAL 5 1.325 -6.377 -11.888 32 HG13 VAL 5 HG13 VAL 5 1.418 -4.682 -11.408 33 HG21 VAL 5 HG21 VAL 5 1.035 -4.627 -8.366 34 HG22 VAL 5 HG22 VAL 5 0.611 -6.255 -7.837 35 HG23 VAL 5 HG23 VAL 5 2.170 -5.956 -8.604 36 H PHE 6 H PHE 6 -2.489 -6.937 -10.402 37 HA PHE 6 HA PHE 6 -2.408 -7.126 -13.272 38 HB2 PHE 6 HB2 PHE 6 -3.702 -8.602 -11.056 39 HB3 PHE 6 HB3 PHE 6 -4.547 -8.633 -12.600 40 HD1 PHE 6 HD1 PHE 6 -0.885 -8.494 -12.151 41 HD2 PHE 6 HD2 PHE 6 -4.247 -10.901 -13.161 42 HE1 PHE 6 HE1 PHE 6 0.626 -10.270 -12.936 43 HE2 PHE 6 HE2 PHE 6 -2.741 -12.681 -13.946 44 HZ PHE 6 HZ PHE 6 -0.301 -12.368 -13.833 45 HA PRO 7 HA PRO 7 -5.674 -4.409 -14.365 46 HB2 PRO 7 HB2 PRO 7 -6.868 -5.759 -16.396 47 HB3 PRO 7 HB3 PRO 7 -5.283 -4.992 -16.553 48 HG2 PRO 7 HG2 PRO 7 -5.955 -7.864 -16.046 49 HG3 PRO 7 HG3 PRO 7 -4.736 -7.176 -17.134 50 HD2 PRO 7 HD2 PRO 7 -4.113 -8.184 -14.699 51 HD3 PRO 7 HD3 PRO 7 -3.227 -6.829 -15.427 52 H ALA 8 H ALA 8 -7.730 -3.958 -13.771 53 HA ALA 8 HA ALA 8 -9.135 -5.564 -12.006 54 HB1 ALA 8 HB1 ALA 8 -9.445 -3.117 -12.307 55 HB2 ALA 8 HB2 ALA 8 -10.347 -3.455 -13.785 56 HB3 ALA 8 HB3 ALA 8 -10.958 -4.021 -12.230 57 H ALA 9 H ALA 9 -9.121 -5.585 -15.473 58 HA ALA 9 HA ALA 9 -11.580 -6.960 -15.858 59 HB1 ALA 9 HB1 ALA 9 -10.491 -7.526 -18.116 60 HB2 ALA 9 HB2 ALA 9 -10.805 -5.831 -17.742 61 HB3 ALA 9 HB3 ALA 9 -9.174 -6.482 -17.580 62 H THR 10 H THR 10 -8.258 -7.977 -15.329 63 HA THR 10 HA THR 10 -8.885 -10.770 -15.783 64 HB THR 10 HB THR 10 -6.344 -9.452 -14.808 65 HG1 THR 10 HG1 THR 10 -5.695 -10.187 -17.001 66 HG21 THR 10 HG21 THR 10 -7.138 -12.288 -15.109 67 HG22 THR 10 HG22 THR 10 -5.957 -11.550 -14.027 68 HG23 THR 10 HG23 THR 10 -5.542 -11.846 -15.716 69 H CYS 11 H CYS 11 -8.796 -8.558 -13.152 70 HA CYS 11 HA CYS 11 -8.593 -10.640 -11.134 71 HB2 CYS 11 HB2 CYS 11 -9.141 -7.691 -10.752 72 HB3 CYS 11 HB3 CYS 11 -8.635 -8.842 -9.519 73 H ARG 12 H ARG 12 -10.979 -8.195 -12.140 74 HA ARG 12 HA ARG 12 -13.042 -8.852 -10.431 75 HB2 ARG 12 HB2 ARG 12 -14.507 -7.741 -11.927 76 HB3 ARG 12 HB3 ARG 12 -12.949 -6.942 -12.091 77 HG2 ARG 12 HG2 ARG 12 -13.441 -7.156 -14.284 78 HG3 ARG 12 HG3 ARG 12 -12.688 -8.734 -14.042 79 HD2 ARG 12 HD2 ARG 12 -14.597 -9.466 -15.006 80 HD3 ARG 12 HD3 ARG 12 -15.209 -9.334 -13.357 81 HE ARG 12 HE ARG 12 -16.556 -7.618 -14.039 82 HH11 ARG 12 HH11 ARG 12 -14.068 -8.118 -16.422 83 HH12 ARG 12 HH12 ARG 12 -14.755 -7.009 -17.562 84 HH21 ARG 12 HH21 ARG 12 -17.471 -6.155 -15.531 85 HH22 ARG 12 HH22 ARG 12 -16.690 -5.892 -17.054 86 H HIS 13 H HIS 13 -11.998 -10.473 -13.357 87 HA HIS 13 HA HIS 13 -14.267 -12.147 -13.659 88 HB2 HIS 13 HB2 HIS 13 -12.245 -11.595 -15.283 89 HB3 HIS 13 HB3 HIS 13 -11.571 -13.054 -14.565 90 HD1 HIS 13 HD1 HIS 13 -14.912 -12.066 -16.116 91 HD2 HIS 13 HD2 HIS 13 -12.234 -15.239 -15.993 92 HE1 HIS 13 HE1 HIS 13 -15.883 -13.824 -17.629 93 H ALA 14 H ALA 14 -11.256 -12.437 -11.870 94 HA ALA 14 HA ALA 14 -11.556 -15.180 -11.185 95 HB1 ALA 14 HB1 ALA 14 -9.508 -14.929 -10.357 96 HB2 ALA 14 HB2 ALA 14 -9.578 -13.249 -10.888 97 HB3 ALA 14 HB3 ALA 14 -10.043 -13.673 -9.240 98 H LYS 15 H LYS 15 -12.552 -12.158 -9.682 99 HA LYS 15 HA LYS 15 -13.400 -13.332 -7.225 100 HB2 LYS 15 HB2 LYS 15 -14.349 -10.723 -8.409 101 HB3 LYS 15 HB3 LYS 15 -14.342 -11.187 -6.713 102 HG2 LYS 15 HG2 LYS 15 -11.944 -10.631 -8.444 103 HG3 LYS 15 HG3 LYS 15 -12.556 -9.640 -7.117 104 HD2 LYS 15 HD2 LYS 15 -11.471 -12.446 -6.870 105 HD3 LYS 15 HD3 LYS 15 -10.613 -10.966 -6.432 106 HE2 LYS 15 HE2 LYS 15 -11.496 -11.134 -4.399 107 HE3 LYS 15 HE3 LYS 15 -13.078 -10.828 -5.115 108 HZ1 LYS 15 HZ1 LYS 15 -13.666 -12.976 -4.948 109 HZ2 LYS 15 HZ2 LYS 15 -12.479 -13.028 -3.745 110 HZ3 LYS 15 HZ3 LYS 15 -12.120 -13.559 -5.310 111 H SER 16 H SER 16 -15.136 -12.200 -10.117 112 HA SER 16 HA SER 16 -17.726 -12.598 -9.455 113 HB2 SER 16 HB2 SER 16 -16.411 -13.431 -12.052 114 HB3 SER 16 HB3 SER 16 -18.147 -13.220 -11.824 115 HG SER 16 HG SER 16 -16.222 -11.355 -12.255 116 H VAL 17 H VAL 17 -15.401 -15.122 -10.296 117 HA VAL 17 HA VAL 17 -17.407 -17.192 -9.821 118 HB VAL 17 HB VAL 17 -15.690 -18.773 -10.592 119 HG11 VAL 17 HG11 VAL 17 -16.260 -16.397 -12.346 120 HG12 VAL 17 HG12 VAL 17 -15.483 -17.865 -12.941 121 HG13 VAL 17 HG13 VAL 17 -17.118 -17.936 -12.283 122 HG21 VAL 17 HG21 VAL 17 -13.981 -16.305 -10.888 123 HG22 VAL 17 HG22 VAL 17 -13.697 -17.663 -9.799 124 HG23 VAL 17 HG23 VAL 17 -13.581 -17.893 -11.543 125 H GLY 18 H GLY 18 -14.445 -15.889 -8.450 126 HA2 GLY 18 HA2 GLY 18 -13.981 -15.956 -6.124 127 HA3 GLY 18 HA3 GLY 18 -15.009 -17.375 -5.987 128 H ASN 19 H ASN 19 -12.244 -16.636 -8.104 129 HA ASN 19 HA ASN 19 -11.084 -19.219 -7.381 130 HB2 ASN 19 HB2 ASN 19 -11.206 -17.697 -9.780 131 HB3 ASN 19 HB3 ASN 19 -9.511 -17.827 -9.322 132 HD21 ASN 19 HD21 ASN 19 -10.770 -19.008 -11.590 133 HD22 ASN 19 HD22 ASN 19 -10.612 -20.721 -11.431 134 H CYS 20 H CYS 20 -11.040 -16.552 -5.822 135 HA CYS 20 HA CYS 20 -8.487 -15.492 -5.707 136 HB2 CYS 20 HB2 CYS 20 -10.645 -14.800 -4.451 137 HB3 CYS 20 HB3 CYS 20 -10.110 -15.934 -3.215 138 H SER 21 H SER 21 -9.676 -18.529 -4.503 139 HA SER 21 HA SER 21 -7.742 -19.154 -2.605 140 HB2 SER 21 HB2 SER 21 -9.898 -20.446 -3.450 141 HB3 SER 21 HB3 SER 21 -8.715 -21.306 -4.435 142 HG SER 21 HG SER 21 -7.556 -21.661 -2.411 143 H SER 22 H SER 22 -7.605 -19.250 -6.099 144 HA SER 22 HA SER 22 -5.343 -20.843 -6.456 145 HB2 SER 22 HB2 SER 22 -7.028 -19.507 -8.130 146 HB3 SER 22 HB3 SER 22 -5.568 -18.528 -8.274 147 HG SER 22 HG SER 22 -5.861 -20.464 -9.711 148 H GLU 23 H GLU 23 -3.350 -19.588 -7.670 149 HA GLU 23 HA GLU 23 -2.307 -17.728 -5.636 150 HB2 GLU 23 HB2 GLU 23 -1.233 -20.022 -5.788 151 HB3 GLU 23 HB3 GLU 23 -0.648 -19.550 -7.377 152 HG2 GLU 23 HG2 GLU 23 0.852 -18.041 -6.535 153 HG3 GLU 23 HG3 GLU 23 -0.076 -17.777 -5.060 154 H LYS 24 H LYS 24 -2.524 -18.480 -9.059 155 HA LYS 24 HA LYS 24 -0.853 -16.581 -10.156 156 HB2 LYS 24 HB2 LYS 24 -2.022 -18.270 -11.487 157 HB3 LYS 24 HB3 LYS 24 -3.558 -17.472 -11.174 158 HG2 LYS 24 HG2 LYS 24 -2.894 -15.555 -12.446 159 HG3 LYS 24 HG3 LYS 24 -1.256 -16.188 -12.626 160 HD2 LYS 24 HD2 LYS 24 -2.572 -18.241 -13.673 161 HD3 LYS 24 HD3 LYS 24 -3.771 -16.987 -13.995 162 HE2 LYS 24 HE2 LYS 24 -1.891 -15.644 -15.026 163 HE3 LYS 24 HE3 LYS 24 -0.910 -17.105 -14.924 164 HZ1 LYS 24 HZ1 LYS 24 -3.189 -16.512 -16.658 165 HZ2 LYS 24 HZ2 LYS 24 -2.994 -18.111 -16.143 166 HZ3 LYS 24 HZ3 LYS 24 -1.756 -17.343 -17.003 167 H TYR 25 H TYR 25 -4.105 -16.176 -8.869 168 HA TYR 25 HA TYR 25 -3.852 -13.272 -9.299 169 HB2 TYR 25 HB2 TYR 25 -6.539 -14.008 -8.659 170 HB3 TYR 25 HB3 TYR 25 -5.921 -13.283 -10.139 171 HD1 TYR 25 HD1 TYR 25 -5.181 -14.753 -12.011 172 HD2 TYR 25 HD2 TYR 25 -7.143 -16.306 -8.571 173 HE1 TYR 25 HE1 TYR 25 -5.687 -16.822 -13.241 174 HE2 TYR 25 HE2 TYR 25 -7.654 -18.380 -9.790 175 HH TYR 25 HH TYR 25 -7.936 -19.004 -12.324 176 H LYS 26 H LYS 26 -2.731 -14.761 -7.081 177 HA LYS 26 HA LYS 26 -4.190 -13.441 -4.896 178 HB2 LYS 26 HB2 LYS 26 -4.539 -15.963 -4.979 179 HB3 LYS 26 HB3 LYS 26 -2.831 -16.116 -4.586 180 HG2 LYS 26 HG2 LYS 26 -3.679 -14.394 -2.658 181 HG3 LYS 26 HG3 LYS 26 -5.103 -15.413 -2.882 182 HD2 LYS 26 HD2 LYS 26 -2.454 -16.746 -2.676 183 HD3 LYS 26 HD3 LYS 26 -3.154 -16.068 -1.205 184 HE2 LYS 26 HE2 LYS 26 -4.980 -17.665 -2.881 185 HE3 LYS 26 HE3 LYS 26 -3.666 -18.558 -2.117 186 HZ1 LYS 26 HZ1 LYS 26 -5.160 -18.645 -0.445 187 HZ2 LYS 26 HZ2 LYS 26 -5.957 -17.226 -0.906 188 HZ3 LYS 26 HZ3 LYS 26 -4.497 -17.138 -0.055 189 H ARG 27 H ARG 27 -1.929 -12.504 -6.394 190 HA ARG 27 HA ARG 27 -0.110 -12.063 -4.175 191 HB2 ARG 27 HB2 ARG 27 1.869 -12.509 -5.736 192 HB3 ARG 27 HB3 ARG 27 1.033 -13.908 -5.076 193 HG2 ARG 27 HG2 ARG 27 -0.211 -14.137 -7.181 194 HG3 ARG 27 HG3 ARG 27 0.681 -12.763 -7.838 195 HD2 ARG 27 HD2 ARG 27 1.564 -15.011 -8.503 196 HD3 ARG 27 HD3 ARG 27 2.741 -13.949 -7.732 197 HE ARG 27 HE ARG 27 1.413 -15.737 -5.912 198 HH11 ARG 27 HH11 ARG 27 4.084 -15.337 -8.109 199 HH12 ARG 27 HH12 ARG 27 5.059 -16.551 -7.351 200 HH21 ARG 27 HH21 ARG 27 2.688 -17.338 -4.905 201 HH22 ARG 27 HH22 ARG 27 4.264 -17.689 -5.529 202 H ASN 28 H ASN 28 -0.922 -11.420 -7.556 203 HA ASN 28 HA ASN 28 0.445 -8.865 -7.513 204 HB2 ASN 28 HB2 ASN 28 -0.735 -8.727 -9.849 205 HB3 ASN 28 HB3 ASN 28 0.629 -9.818 -9.619 206 HD21 ASN 28 HD21 ASN 28 0.340 -11.969 -9.829 207 HD22 ASN 28 HD22 ASN 28 -1.163 -12.709 -10.253 208 H CYS 29 H CYS 29 -2.905 -9.873 -8.229 209 HA CYS 29 HA CYS 29 -3.887 -7.209 -7.722 210 HB2 CYS 29 HB2 CYS 29 -4.757 -9.222 -9.321 211 HB3 CYS 29 HB3 CYS 29 -5.822 -9.432 -7.935 212 H ALA 30 H ALA 30 -2.741 -7.731 -5.449 213 HA ALA 30 HA ALA 30 -4.079 -9.225 -3.512 214 HB1 ALA 30 HB1 ALA 30 -1.940 -7.337 -3.585 215 HB2 ALA 30 HB2 ALA 30 -3.006 -6.952 -2.233 216 HB3 ALA 30 HB3 ALA 30 -2.299 -8.562 -2.368 217 H ILE 31 H ILE 31 -4.447 -5.793 -4.367 218 HA ILE 31 HA ILE 31 -6.300 -5.029 -2.475 219 HB ILE 31 HB ILE 31 -6.171 -4.162 -5.366 220 HG12 ILE 31 HG12 ILE 31 -4.090 -3.807 -4.074 221 HG13 ILE 31 HG13 ILE 31 -4.857 -2.289 -4.528 222 HG21 ILE 31 HG21 ILE 31 -7.704 -3.104 -3.018 223 HG22 ILE 31 HG22 ILE 31 -7.246 -2.058 -4.360 224 HG23 ILE 31 HG23 ILE 31 -8.275 -3.461 -4.648 225 HD11 ILE 31 HD11 ILE 31 -4.048 -2.153 -2.271 226 HD12 ILE 31 HD12 ILE 31 -5.812 -2.138 -2.262 227 HD13 ILE 31 HD13 ILE 31 -4.940 -3.607 -1.826 228 H THR 32 H THR 32 -6.752 -7.005 -5.308 229 HA THR 32 HA THR 32 -9.658 -6.943 -5.024 230 HB THR 32 HB THR 32 -7.926 -8.353 -7.065 231 HG1 THR 32 HG1 THR 32 -8.037 -6.000 -7.160 232 HG21 THR 32 HG21 THR 32 -10.716 -8.646 -6.385 233 HG22 THR 32 HG22 THR 32 -9.745 -9.551 -7.546 234 HG23 THR 32 HG23 THR 32 -10.531 -8.049 -8.033 235 H CYS 33 H CYS 33 -6.918 -9.040 -4.471 236 HA CYS 33 HA CYS 33 -8.712 -11.216 -3.651 237 HB2 CYS 33 HB2 CYS 33 -6.520 -11.354 -5.227 238 HB3 CYS 33 HB3 CYS 33 -5.782 -11.648 -3.656 239 H GLY 34 H GLY 34 -8.897 -9.274 -1.876 240 HA2 GLY 34 HA2 GLY 34 -8.621 -10.121 0.576 241 HA3 GLY 34 HA3 GLY 34 -6.931 -9.766 0.247 242 H ALA 35 H ALA 35 -7.533 -7.438 -1.405 243 HA ALA 35 HA ALA 35 -7.811 -5.187 -1.202 244 HB1 ALA 35 HB1 ALA 35 -10.152 -6.054 -0.522 245 HB2 ALA 35 HB2 ALA 35 -9.665 -5.594 1.110 246 HB3 ALA 35 HB3 ALA 35 -9.720 -4.381 -0.169 247 H CYS 36 H CYS 36 -5.613 -5.061 -0.472 248 HA CYS 36 HA CYS 36 -5.042 -5.032 2.349 249 HB2 CYS 36 HB2 CYS 36 -3.308 -5.806 0.876 250 HB3 CYS 36 HB3 CYS 36 -3.384 -4.327 -0.076 Start of MODEL 5 1 H1 ALA 1 H ALA 1 5.927 -2.139 -4.708 2 HA ALA 1 HA ALA 1 3.807 -0.747 -3.230 3 HB1 ALA 1 HB1 ALA 1 4.381 -0.094 -5.604 4 HB2 ALA 1 HB2 ALA 1 3.689 -1.639 -6.099 5 HB3 ALA 1 HB3 ALA 1 2.682 -0.442 -5.284 6 H CYS 2 H CYS 2 1.999 -1.763 -2.541 7 HA CYS 2 HA CYS 2 1.756 -4.638 -3.146 8 HB2 CYS 2 HB2 CYS 2 2.446 -3.972 -0.766 9 HB3 CYS 2 HB3 CYS 2 0.805 -3.359 -0.589 10 H LYS 3 H LYS 3 0.524 -3.142 -4.907 11 HA LYS 3 HA LYS 3 -2.297 -3.070 -4.052 12 HB2 LYS 3 HB2 LYS 3 -1.032 -1.444 -6.264 13 HB3 LYS 3 HB3 LYS 3 -2.690 -1.325 -5.690 14 HG2 LYS 3 HG2 LYS 3 -0.330 -0.783 -3.915 15 HG3 LYS 3 HG3 LYS 3 -1.083 0.464 -4.911 16 HD2 LYS 3 HD2 LYS 3 -3.257 -0.077 -3.802 17 HD3 LYS 3 HD3 LYS 3 -2.374 -1.149 -2.714 18 HE2 LYS 3 HE2 LYS 3 -2.671 0.951 -1.609 19 HE3 LYS 3 HE3 LYS 3 -0.971 0.800 -2.047 20 HZ1 LYS 3 HZ1 LYS 3 -2.802 2.173 -3.887 21 HZ2 LYS 3 HZ2 LYS 3 -1.145 2.411 -3.645 22 HZ3 LYS 3 HZ3 LYS 3 -2.257 2.995 -2.512 23 H ASP 4 H ASP 4 -3.671 -3.035 -6.288 24 HA ASP 4 HA ASP 4 -3.493 -5.671 -7.278 25 HB2 ASP 4 HB2 ASP 4 -5.194 -4.796 -8.989 26 HB3 ASP 4 HB3 ASP 4 -5.645 -4.715 -7.289 27 H VAL 5 H VAL 5 -1.706 -6.247 -8.379 28 HA VAL 5 HA VAL 5 -0.462 -4.498 -10.300 29 HB VAL 5 HB VAL 5 0.119 -7.424 -9.843 30 HG11 VAL 5 HG11 VAL 5 1.520 -5.181 -11.236 31 HG12 VAL 5 HG12 VAL 5 2.450 -6.514 -10.547 32 HG13 VAL 5 HG13 VAL 5 1.231 -6.833 -11.782 33 HG21 VAL 5 HG21 VAL 5 0.417 -6.547 -7.715 34 HG22 VAL 5 HG22 VAL 5 2.027 -6.405 -8.422 35 HG23 VAL 5 HG23 VAL 5 0.978 -4.990 -8.325 36 H PHE 6 H PHE 6 -2.597 -7.281 -10.361 37 HA PHE 6 HA PHE 6 -2.408 -7.625 -13.214 38 HB2 PHE 6 HB2 PHE 6 -3.834 -8.947 -10.980 39 HB3 PHE 6 HB3 PHE 6 -4.616 -9.033 -12.555 40 HD1 PHE 6 HD1 PHE 6 -0.977 -9.006 -11.890 41 HD2 PHE 6 HD2 PHE 6 -4.362 -11.307 -13.057 42 HE1 PHE 6 HE1 PHE 6 0.508 -10.864 -12.521 43 HE2 PHE 6 HE2 PHE 6 -2.883 -13.169 -13.688 44 HZ PHE 6 HZ PHE 6 -0.445 -12.949 -13.420 45 HA PRO 7 HA PRO 7 -5.535 -4.857 -14.558 46 HB2 PRO 7 HB2 PRO 7 -6.673 -6.254 -16.589 47 HB3 PRO 7 HB3 PRO 7 -5.062 -5.536 -16.701 48 HG2 PRO 7 HG2 PRO 7 -5.838 -8.368 -16.115 49 HG3 PRO 7 HG3 PRO 7 -4.551 -7.756 -17.171 50 HD2 PRO 7 HD2 PRO 7 -4.069 -8.682 -14.673 51 HD3 PRO 7 HD3 PRO 7 -3.112 -7.381 -15.410 52 H ALA 8 H ALA 8 -7.638 -4.338 -14.167 53 HA ALA 8 HA ALA 8 -9.160 -5.807 -12.370 54 HB1 ALA 8 HB1 ALA 8 -10.842 -4.203 -12.642 55 HB2 ALA 8 HB2 ALA 8 -9.348 -3.338 -13.007 56 HB3 ALA 8 HB3 ALA 8 -10.392 -3.886 -14.318 57 H ALA 9 H ALA 9 -8.936 -6.068 -15.815 58 HA ALA 9 HA ALA 9 -11.404 -7.422 -16.250 59 HB1 ALA 9 HB1 ALA 9 -8.908 -7.053 -17.863 60 HB2 ALA 9 HB2 ALA 9 -10.181 -8.147 -18.404 61 HB3 ALA 9 HB3 ALA 9 -10.533 -6.436 -18.163 62 H THR 10 H THR 10 -8.094 -8.468 -15.609 63 HA THR 10 HA THR 10 -8.726 -11.262 -15.908 64 HB THR 10 HB THR 10 -6.263 -9.902 -14.802 65 HG1 THR 10 HG1 THR 10 -5.541 -10.964 -16.943 66 HG21 THR 10 HG21 THR 10 -7.001 -12.775 -15.117 67 HG22 THR 10 HG22 THR 10 -6.069 -11.984 -13.846 68 HG23 THR 10 HG23 THR 10 -5.333 -12.288 -15.419 69 H CYS 11 H CYS 11 -8.808 -8.934 -13.372 70 HA CYS 11 HA CYS 11 -8.798 -10.930 -11.261 71 HB2 CYS 11 HB2 CYS 11 -9.308 -7.955 -11.062 72 HB3 CYS 11 HB3 CYS 11 -8.955 -9.054 -9.732 73 H ARG 12 H ARG 12 -11.060 -8.544 -12.617 74 HA ARG 12 HA ARG 12 -13.263 -9.040 -11.035 75 HB2 ARG 12 HB2 ARG 12 -14.605 -8.108 -12.789 76 HB3 ARG 12 HB3 ARG 12 -13.064 -7.261 -12.783 77 HG2 ARG 12 HG2 ARG 12 -12.317 -8.704 -14.653 78 HG3 ARG 12 HG3 ARG 12 -13.931 -9.416 -14.696 79 HD2 ARG 12 HD2 ARG 12 -13.301 -6.490 -15.075 80 HD3 ARG 12 HD3 ARG 12 -13.636 -7.636 -16.373 81 HE ARG 12 HE ARG 12 -15.765 -7.695 -14.554 82 HH11 ARG 12 HH11 ARG 12 -14.311 -5.555 -16.883 83 HH12 ARG 12 HH12 ARG 12 -15.791 -4.730 -17.243 84 HH21 ARG 12 HH21 ARG 12 -17.720 -6.616 -15.019 85 HH22 ARG 12 HH22 ARG 12 -17.730 -5.333 -16.182 86 H HIS 13 H HIS 13 -12.022 -10.901 -13.738 87 HA HIS 13 HA HIS 13 -14.296 -12.604 -13.992 88 HB2 HIS 13 HB2 HIS 13 -12.170 -12.111 -15.578 89 HB3 HIS 13 HB3 HIS 13 -11.644 -13.620 -14.838 90 HD1 HIS 13 HD1 HIS 13 -14.582 -12.248 -16.807 91 HD2 HIS 13 HD2 HIS 13 -12.701 -15.857 -15.971 92 HE1 HIS 13 HE1 HIS 13 -15.715 -13.951 -18.269 93 H ALA 14 H ALA 14 -11.260 -12.766 -12.215 94 HA ALA 14 HA ALA 14 -11.491 -15.454 -11.369 95 HB1 ALA 14 HB1 ALA 14 -9.600 -13.437 -11.128 96 HB2 ALA 14 HB2 ALA 14 -10.094 -13.779 -9.469 97 HB3 ALA 14 HB3 ALA 14 -9.481 -15.078 -10.493 98 H LYS 15 H LYS 15 -12.296 -12.391 -9.742 99 HA LYS 15 HA LYS 15 -13.296 -13.544 -7.380 100 HB2 LYS 15 HB2 LYS 15 -14.195 -10.928 -8.588 101 HB3 LYS 15 HB3 LYS 15 -14.220 -11.385 -6.890 102 HG2 LYS 15 HG2 LYS 15 -11.793 -10.858 -8.590 103 HG3 LYS 15 HG3 LYS 15 -12.408 -9.867 -7.265 104 HD2 LYS 15 HD2 LYS 15 -11.334 -12.678 -7.034 105 HD3 LYS 15 HD3 LYS 15 -10.498 -11.203 -6.543 106 HE2 LYS 15 HE2 LYS 15 -13.009 -12.379 -5.366 107 HE3 LYS 15 HE3 LYS 15 -11.439 -12.195 -4.586 108 HZ1 LYS 15 HZ1 LYS 15 -11.804 -9.709 -5.020 109 HZ2 LYS 15 HZ2 LYS 15 -12.667 -10.435 -3.759 110 HZ3 LYS 15 HZ3 LYS 15 -13.431 -10.119 -5.235 111 H SER 16 H SER 16 -14.982 -12.401 -10.297 112 HA SER 16 HA SER 16 -17.585 -12.766 -9.665 113 HB2 SER 16 HB2 SER 16 -18.050 -13.115 -11.979 114 HB3 SER 16 HB3 SER 16 -16.618 -12.088 -11.915 115 HG SER 16 HG SER 16 -16.905 -14.669 -12.836 116 H VAL 17 H VAL 17 -15.365 -15.343 -10.693 117 HA VAL 17 HA VAL 17 -17.364 -17.385 -10.228 118 HB VAL 17 HB VAL 17 -15.581 -18.974 -10.861 119 HG11 VAL 17 HG11 VAL 17 -16.098 -16.630 -12.675 120 HG12 VAL 17 HG12 VAL 17 -15.261 -18.090 -13.209 121 HG13 VAL 17 HG13 VAL 17 -16.927 -18.186 -12.638 122 HG21 VAL 17 HG21 VAL 17 -13.670 -17.760 -9.958 123 HG22 VAL 17 HG22 VAL 17 -13.429 -18.126 -11.667 124 HG23 VAL 17 HG23 VAL 17 -13.886 -16.497 -11.170 125 H GLY 18 H GLY 18 -14.543 -16.063 -8.622 126 HA2 GLY 18 HA2 GLY 18 -14.339 -16.155 -6.240 127 HA3 GLY 18 HA3 GLY 18 -15.228 -17.670 -6.257 128 H ASN 19 H ASN 19 -12.491 -16.783 -8.307 129 HA ASN 19 HA ASN 19 -11.086 -19.160 -7.358 130 HB2 ASN 19 HB2 ASN 19 -11.314 -17.842 -9.870 131 HB3 ASN 19 HB3 ASN 19 -9.622 -17.778 -9.386 132 HD21 ASN 19 HD21 ASN 19 -10.729 -19.240 -11.568 133 HD22 ASN 19 HD22 ASN 19 -10.414 -20.914 -11.277 134 H CYS 20 H CYS 20 -11.331 -16.485 -5.921 135 HA CYS 20 HA CYS 20 -8.890 -15.141 -5.893 136 HB2 CYS 20 HB2 CYS 20 -10.949 -14.325 -4.788 137 HB3 CYS 20 HB3 CYS 20 -10.771 -15.579 -3.564 138 H SER 21 H SER 21 -9.812 -18.183 -4.496 139 HA SER 21 HA SER 21 -7.889 -18.484 -2.511 140 HB2 SER 21 HB2 SER 21 -9.819 -20.041 -3.016 141 HB3 SER 21 HB3 SER 21 -8.842 -20.708 -4.324 142 HG SER 21 HG SER 21 -7.674 -21.748 -2.913 143 H SER 22 H SER 22 -7.646 -18.910 -5.991 144 HA SER 22 HA SER 22 -5.212 -20.241 -6.155 145 HB2 SER 22 HB2 SER 22 -6.970 -19.291 -7.982 146 HB3 SER 22 HB3 SER 22 -5.668 -18.116 -8.166 147 HG SER 22 HG SER 22 -5.763 -20.460 -9.247 148 H GLU 23 H GLU 23 -3.229 -19.059 -7.253 149 HA GLU 23 HA GLU 23 -2.488 -16.870 -5.432 150 HB2 GLU 23 HB2 GLU 23 -1.223 -19.273 -5.853 151 HB3 GLU 23 HB3 GLU 23 -0.320 -18.188 -6.900 152 HG2 GLU 23 HG2 GLU 23 0.527 -16.986 -5.167 153 HG3 GLU 23 HG3 GLU 23 -0.864 -17.291 -4.129 154 H LYS 24 H LYS 24 -2.517 -17.915 -8.781 155 HA LYS 24 HA LYS 24 -0.992 -15.966 -9.994 156 HB2 LYS 24 HB2 LYS 24 -1.927 -17.829 -11.238 157 HB3 LYS 24 HB3 LYS 24 -3.559 -17.228 -10.973 158 HG2 LYS 24 HG2 LYS 24 -3.099 -15.283 -12.335 159 HG3 LYS 24 HG3 LYS 24 -1.424 -15.799 -12.545 160 HD2 LYS 24 HD2 LYS 24 -1.976 -17.454 -14.019 161 HD3 LYS 24 HD3 LYS 24 -3.567 -17.714 -13.300 162 HE2 LYS 24 HE2 LYS 24 -3.868 -16.750 -15.472 163 HE3 LYS 24 HE3 LYS 24 -4.287 -15.536 -14.265 164 HZ1 LYS 24 HZ1 LYS 24 -1.720 -14.980 -14.630 165 HZ2 LYS 24 HZ2 LYS 24 -2.955 -14.266 -15.538 166 HZ3 LYS 24 HZ3 LYS 24 -2.092 -15.576 -16.169 167 H TYR 25 H TYR 25 -4.169 -15.701 -8.590 168 HA TYR 25 HA TYR 25 -4.189 -12.841 -9.297 169 HB2 TYR 25 HB2 TYR 25 -6.842 -13.754 -8.748 170 HB3 TYR 25 HB3 TYR 25 -6.204 -13.059 -10.234 171 HD1 TYR 25 HD1 TYR 25 -5.099 -14.619 -11.909 172 HD2 TYR 25 HD2 TYR 25 -7.427 -16.026 -8.637 173 HE1 TYR 25 HE1 TYR 25 -5.378 -16.782 -13.045 174 HE2 TYR 25 HE2 TYR 25 -7.711 -18.194 -9.763 175 HH TYR 25 HH TYR 25 -6.421 -18.757 -13.015 176 H LYS 26 H LYS 26 -2.966 -13.805 -6.998 177 HA LYS 26 HA LYS 26 -4.719 -12.661 -4.942 178 HB2 LYS 26 HB2 LYS 26 -4.827 -15.091 -4.677 179 HB3 LYS 26 HB3 LYS 26 -3.071 -15.177 -4.620 180 HG2 LYS 26 HG2 LYS 26 -3.342 -15.132 -2.406 181 HG3 LYS 26 HG3 LYS 26 -3.601 -13.400 -2.625 182 HD2 LYS 26 HD2 LYS 26 -5.662 -13.616 -1.823 183 HD3 LYS 26 HD3 LYS 26 -6.059 -14.710 -3.150 184 HE2 LYS 26 HE2 LYS 26 -6.499 -16.060 -1.352 185 HE3 LYS 26 HE3 LYS 26 -4.809 -16.466 -1.650 186 HZ1 LYS 26 HZ1 LYS 26 -6.005 -15.180 0.619 187 HZ2 LYS 26 HZ2 LYS 26 -4.661 -14.341 0.029 188 HZ3 LYS 26 HZ3 LYS 26 -4.511 -15.963 0.485 189 H ARG 27 H ARG 27 -1.445 -13.572 -5.910 190 HA ARG 27 HA ARG 27 -0.190 -12.007 -3.856 191 HB2 ARG 27 HB2 ARG 27 1.900 -12.562 -5.000 192 HB3 ARG 27 HB3 ARG 27 0.906 -13.995 -4.777 193 HG2 ARG 27 HG2 ARG 27 0.087 -13.317 -7.216 194 HG3 ARG 27 HG3 ARG 27 1.699 -12.599 -7.259 195 HD2 ARG 27 HD2 ARG 27 1.085 -15.464 -6.542 196 HD3 ARG 27 HD3 ARG 27 1.660 -14.912 -8.115 197 HE ARG 27 HE ARG 27 3.231 -15.360 -5.785 198 HH11 ARG 27 HH11 ARG 27 2.956 -13.356 -8.618 199 HH12 ARG 27 HH12 ARG 27 4.649 -12.998 -8.689 200 HH21 ARG 27 HH21 ARG 27 5.463 -14.896 -5.868 201 HH22 ARG 27 HH22 ARG 27 6.075 -13.875 -7.125 202 H ASN 28 H ASN 28 -1.195 -11.504 -7.156 203 HA ASN 28 HA ASN 28 0.180 -8.926 -7.272 204 HB2 ASN 28 HB2 ASN 28 -1.032 -9.022 -9.643 205 HB3 ASN 28 HB3 ASN 28 0.485 -9.865 -9.340 206 HD21 ASN 28 HD21 ASN 28 0.555 -11.935 -9.829 207 HD22 ASN 28 HD22 ASN 28 -0.809 -12.971 -10.058 208 H CYS 29 H CYS 29 -3.084 -10.101 -8.117 209 HA CYS 29 HA CYS 29 -4.203 -7.474 -7.722 210 HB2 CYS 29 HB2 CYS 29 -4.903 -9.539 -9.323 211 HB3 CYS 29 HB3 CYS 29 -6.014 -9.801 -7.982 212 H ALA 30 H ALA 30 -3.264 -7.679 -5.396 213 HA ALA 30 HA ALA 30 -4.774 -9.221 -3.519 214 HB1 ALA 30 HB1 ALA 30 -3.274 -6.872 -2.549 215 HB2 ALA 30 HB2 ALA 30 -3.262 -8.543 -1.984 216 HB3 ALA 30 HB3 ALA 30 -2.341 -8.091 -3.418 217 H ILE 31 H ILE 31 -4.723 -5.803 -4.468 218 HA ILE 31 HA ILE 31 -6.522 -4.783 -2.629 219 HB ILE 31 HB ILE 31 -6.208 -3.979 -5.523 220 HG12 ILE 31 HG12 ILE 31 -4.115 -3.877 -4.228 221 HG13 ILE 31 HG13 ILE 31 -4.686 -2.268 -4.658 222 HG21 ILE 31 HG21 ILE 31 -7.057 -1.766 -4.670 223 HG22 ILE 31 HG22 ILE 31 -8.250 -3.061 -4.749 224 HG23 ILE 31 HG23 ILE 31 -7.540 -2.610 -3.199 225 HD11 ILE 31 HD11 ILE 31 -5.755 -3.002 -2.116 226 HD12 ILE 31 HD12 ILE 31 -4.007 -3.244 -2.119 227 HD13 ILE 31 HD13 ILE 31 -4.681 -1.668 -2.534 228 H THR 32 H THR 32 -7.101 -6.756 -5.435 229 HA THR 32 HA THR 32 -9.973 -6.298 -5.361 230 HB THR 32 HB THR 32 -8.351 -8.164 -7.105 231 HG1 THR 32 HG1 THR 32 -9.539 -5.644 -7.716 232 HG21 THR 32 HG21 THR 32 -10.281 -9.020 -7.814 233 HG22 THR 32 HG22 THR 32 -10.861 -7.407 -8.229 234 HG23 THR 32 HG23 THR 32 -11.140 -8.056 -6.613 235 H CYS 33 H CYS 33 -7.729 -9.029 -4.931 236 HA CYS 33 HA CYS 33 -9.625 -10.959 -4.243 237 HB2 CYS 33 HB2 CYS 33 -6.812 -10.795 -4.381 238 HB3 CYS 33 HB3 CYS 33 -7.191 -11.359 -2.757 239 H GLY 34 H GLY 34 -7.612 -8.958 -2.078 240 HA2 GLY 34 HA2 GLY 34 -8.715 -7.864 -0.186 241 HA3 GLY 34 HA3 GLY 34 -9.700 -9.309 -0.017 242 H ALA 35 H ALA 35 -6.193 -8.903 -0.439 243 HA ALA 35 HA ALA 35 -5.828 -10.335 2.112 244 HB1 ALA 35 HB1 ALA 35 -3.562 -10.975 0.943 245 HB2 ALA 35 HB2 ALA 35 -5.037 -11.889 0.628 246 HB3 ALA 35 HB3 ALA 35 -4.490 -10.673 -0.526 247 H CYS 36 H CYS 36 -4.336 -8.017 -0.133 248 HA CYS 36 HA CYS 36 -2.906 -6.843 2.161 249 HB2 CYS 36 HB2 CYS 36 -1.393 -7.749 0.459 250 HB3 CYS 36 HB3 CYS 36 -2.177 -6.768 -0.775 Start of MODEL 6 1 H1 ALA 1 H ALA 1 1.493 -2.696 2.647 2 HA ALA 1 HA ALA 1 -0.428 -0.985 1.231 3 HB1 ALA 1 HB1 ALA 1 2.021 0.013 0.582 4 HB2 ALA 1 HB2 ALA 1 1.032 0.564 1.935 5 HB3 ALA 1 HB3 ALA 1 2.311 -0.620 2.203 6 H CYS 2 H CYS 2 -1.106 -2.342 -0.410 7 HA CYS 2 HA CYS 2 0.953 -3.012 -2.406 8 HB2 CYS 2 HB2 CYS 2 -0.538 -4.992 -2.997 9 HB3 CYS 2 HB3 CYS 2 0.361 -5.112 -1.488 10 H LYS 3 H LYS 3 -0.427 -3.755 -4.517 11 HA LYS 3 HA LYS 3 -2.727 -2.087 -4.999 12 HB2 LYS 3 HB2 LYS 3 -1.765 -0.711 -6.725 13 HB3 LYS 3 HB3 LYS 3 -0.820 -0.505 -5.256 14 HG2 LYS 3 HG2 LYS 3 0.906 -0.766 -6.673 15 HG3 LYS 3 HG3 LYS 3 0.577 -2.481 -6.413 16 HD2 LYS 3 HD2 LYS 3 0.643 -2.395 -8.710 17 HD3 LYS 3 HD3 LYS 3 -1.081 -2.149 -8.419 18 HE2 LYS 3 HE2 LYS 3 -0.498 -0.510 -9.990 19 HE3 LYS 3 HE3 LYS 3 -0.557 0.346 -8.450 20 HZ1 LYS 3 HZ1 LYS 3 1.592 0.126 -10.240 21 HZ2 LYS 3 HZ2 LYS 3 2.038 -0.622 -8.790 22 HZ3 LYS 3 HZ3 LYS 3 1.520 0.988 -8.787 23 H ASP 4 H ASP 4 -4.012 -3.031 -6.456 24 HA ASP 4 HA ASP 4 -3.554 -5.550 -7.488 25 HB2 ASP 4 HB2 ASP 4 -5.435 -5.016 -9.086 26 HB3 ASP 4 HB3 ASP 4 -5.793 -4.725 -7.386 27 H VAL 5 H VAL 5 -1.865 -6.071 -8.728 28 HA VAL 5 HA VAL 5 -0.800 -4.265 -10.704 29 HB VAL 5 HB VAL 5 -0.071 -7.166 -10.308 30 HG11 VAL 5 HG11 VAL 5 2.165 -5.682 -11.018 31 HG12 VAL 5 HG12 VAL 5 1.238 -6.760 -12.064 32 HG13 VAL 5 HG13 VAL 5 0.871 -5.035 -12.025 33 HG21 VAL 5 HG21 VAL 5 1.761 -6.292 -8.863 34 HG22 VAL 5 HG22 VAL 5 0.972 -4.715 -8.893 35 HG23 VAL 5 HG23 VAL 5 0.151 -6.098 -8.170 36 H PHE 6 H PHE 6 -2.813 -7.140 -10.666 37 HA PHE 6 HA PHE 6 -2.743 -7.539 -13.501 38 HB2 PHE 6 HB2 PHE 6 -4.140 -8.757 -11.191 39 HB3 PHE 6 HB3 PHE 6 -4.956 -8.887 -12.745 40 HD1 PHE 6 HD1 PHE 6 -1.305 -8.907 -12.125 41 HD2 PHE 6 HD2 PHE 6 -4.746 -11.170 -13.201 42 HE1 PHE 6 HE1 PHE 6 0.136 -10.810 -12.718 43 HE2 PHE 6 HE2 PHE 6 -3.309 -13.077 -13.795 44 HZ PHE 6 HZ PHE 6 -0.865 -12.899 -13.555 45 HA PRO 7 HA PRO 7 -5.857 -4.770 -14.873 46 HB2 PRO 7 HB2 PRO 7 -7.069 -6.221 -16.821 47 HB3 PRO 7 HB3 PRO 7 -5.449 -5.537 -17.000 48 HG2 PRO 7 HG2 PRO 7 -6.257 -8.330 -16.289 49 HG3 PRO 7 HG3 PRO 7 -4.987 -7.781 -17.398 50 HD2 PRO 7 HD2 PRO 7 -4.458 -8.622 -14.879 51 HD3 PRO 7 HD3 PRO 7 -3.498 -7.367 -15.688 52 H ALA 8 H ALA 8 -7.948 -4.204 -14.469 53 HA ALA 8 HA ALA 8 -9.448 -5.586 -12.578 54 HB1 ALA 8 HB1 ALA 8 -10.266 -3.466 -14.553 55 HB2 ALA 8 HB2 ALA 8 -11.319 -4.063 -13.269 56 HB3 ALA 8 HB3 ALA 8 -9.806 -3.253 -12.863 57 H ALA 9 H ALA 9 -9.324 -5.939 -16.022 58 HA ALA 9 HA ALA 9 -11.827 -7.254 -16.357 59 HB1 ALA 9 HB1 ALA 9 -10.993 -6.351 -18.322 60 HB2 ALA 9 HB2 ALA 9 -9.367 -6.973 -18.038 61 HB3 ALA 9 HB3 ALA 9 -10.661 -8.072 -18.516 62 H THR 10 H THR 10 -8.528 -8.353 -15.753 63 HA THR 10 HA THR 10 -9.246 -11.142 -15.943 64 HB THR 10 HB THR 10 -6.695 -9.834 -14.980 65 HG1 THR 10 HG1 THR 10 -7.509 -10.954 -17.464 66 HG21 THR 10 HG21 THR 10 -6.532 -11.916 -14.012 67 HG22 THR 10 HG22 THR 10 -5.867 -12.252 -15.611 68 HG23 THR 10 HG23 THR 10 -7.536 -12.684 -15.241 69 H CYS 11 H CYS 11 -9.169 -8.722 -13.501 70 HA CYS 11 HA CYS 11 -9.096 -10.632 -11.313 71 HB2 CYS 11 HB2 CYS 11 -9.493 -7.633 -11.271 72 HB3 CYS 11 HB3 CYS 11 -9.229 -8.656 -9.863 73 H ARG 12 H ARG 12 -11.373 -8.216 -12.601 74 HA ARG 12 HA ARG 12 -13.509 -8.648 -10.920 75 HB2 ARG 12 HB2 ARG 12 -14.902 -7.686 -12.595 76 HB3 ARG 12 HB3 ARG 12 -13.328 -6.916 -12.741 77 HG2 ARG 12 HG2 ARG 12 -12.818 -8.544 -14.585 78 HG3 ARG 12 HG3 ARG 12 -14.513 -9.031 -14.516 79 HD2 ARG 12 HD2 ARG 12 -13.491 -6.244 -15.057 80 HD3 ARG 12 HD3 ARG 12 -14.127 -7.363 -16.263 81 HE ARG 12 HE ARG 12 -16.015 -6.939 -14.194 82 HH11 ARG 12 HH11 ARG 12 -14.617 -5.422 -16.998 83 HH12 ARG 12 HH12 ARG 12 -16.009 -4.444 -17.325 84 HH21 ARG 12 HH21 ARG 12 -17.855 -5.657 -14.614 85 HH22 ARG 12 HH22 ARG 12 -17.850 -4.579 -15.968 86 H HIS 13 H HIS 13 -12.411 -10.598 -13.614 87 HA HIS 13 HA HIS 13 -14.743 -12.274 -13.666 88 HB2 HIS 13 HB2 HIS 13 -12.811 -11.771 -15.482 89 HB3 HIS 13 HB3 HIS 13 -12.203 -13.281 -14.811 90 HD1 HIS 13 HD1 HIS 13 -14.443 -12.018 -17.323 91 HD2 HIS 13 HD2 HIS 13 -14.288 -15.408 -14.925 92 HE1 HIS 13 HE1 HIS 13 -15.963 -13.691 -18.425 93 H ALA 14 H ALA 14 -11.562 -12.384 -12.185 94 HA ALA 14 HA ALA 14 -11.586 -15.079 -11.375 95 HB1 ALA 14 HB1 ALA 14 -9.640 -14.617 -10.303 96 HB2 ALA 14 HB2 ALA 14 -9.718 -13.180 -11.324 97 HB3 ALA 14 HB3 ALA 14 -10.235 -13.095 -9.640 98 H LYS 15 H LYS 15 -12.609 -12.119 -9.699 99 HA LYS 15 HA LYS 15 -13.404 -13.444 -7.313 100 HB2 LYS 15 HB2 LYS 15 -14.493 -10.802 -8.264 101 HB3 LYS 15 HB3 LYS 15 -14.264 -11.354 -6.610 102 HG2 LYS 15 HG2 LYS 15 -12.085 -10.668 -8.572 103 HG3 LYS 15 HG3 LYS 15 -12.607 -9.689 -7.200 104 HD2 LYS 15 HD2 LYS 15 -11.746 -11.211 -5.641 105 HD3 LYS 15 HD3 LYS 15 -11.639 -12.507 -6.834 106 HE2 LYS 15 HE2 LYS 15 -10.032 -10.595 -7.933 107 HE3 LYS 15 HE3 LYS 15 -9.753 -10.352 -6.209 108 HZ1 LYS 15 HZ1 LYS 15 -9.392 -12.844 -6.123 109 HZ2 LYS 15 HZ2 LYS 15 -8.183 -11.928 -6.870 110 HZ3 LYS 15 HZ3 LYS 15 -9.290 -12.794 -7.811 111 H SER 16 H SER 16 -15.231 -12.170 -10.087 112 HA SER 16 HA SER 16 -17.798 -12.633 -9.380 113 HB2 SER 16 HB2 SER 16 -16.845 -11.848 -11.645 114 HB3 SER 16 HB3 SER 16 -16.827 -13.558 -12.077 115 HG SER 16 HG SER 16 -18.803 -12.125 -12.496 116 H VAL 17 H VAL 17 -15.471 -15.080 -10.414 117 HA VAL 17 HA VAL 17 -17.440 -17.199 -10.038 118 HB VAL 17 HB VAL 17 -15.699 -18.713 -10.882 119 HG11 VAL 17 HG11 VAL 17 -17.123 -17.787 -12.534 120 HG12 VAL 17 HG12 VAL 17 -16.263 -16.246 -12.512 121 HG13 VAL 17 HG13 VAL 17 -15.483 -17.684 -13.174 122 HG21 VAL 17 HG21 VAL 17 -14.013 -16.216 -11.027 123 HG22 VAL 17 HG22 VAL 17 -13.728 -17.624 -10.003 124 HG23 VAL 17 HG23 VAL 17 -13.589 -17.765 -11.756 125 H GLY 18 H GLY 18 -14.516 -15.918 -8.573 126 HA2 GLY 18 HA2 GLY 18 -14.123 -16.104 -6.226 127 HA3 GLY 18 HA3 GLY 18 -15.048 -17.598 -6.221 128 H ASN 19 H ASN 19 -12.184 -16.349 -7.947 129 HA ASN 19 HA ASN 19 -10.879 -18.935 -7.440 130 HB2 ASN 19 HB2 ASN 19 -11.109 -17.344 -9.784 131 HB3 ASN 19 HB3 ASN 19 -9.413 -17.343 -9.310 132 HD21 ASN 19 HD21 ASN 19 -11.084 -18.673 -11.487 133 HD22 ASN 19 HD22 ASN 19 -10.569 -20.321 -11.443 134 H CYS 20 H CYS 20 -11.045 -16.059 -6.036 135 HA CYS 20 HA CYS 20 -8.491 -15.023 -5.804 136 HB2 CYS 20 HB2 CYS 20 -10.449 -13.912 -4.861 137 HB3 CYS 20 HB3 CYS 20 -10.638 -15.204 -3.680 138 H SER 21 H SER 21 -9.845 -17.906 -4.402 139 HA SER 21 HA SER 21 -8.165 -18.396 -2.275 140 HB2 SER 21 HB2 SER 21 -10.149 -19.793 -3.243 141 HB3 SER 21 HB3 SER 21 -8.888 -20.628 -4.149 142 HG SER 21 HG SER 21 -8.320 -21.619 -2.390 143 H SER 22 H SER 22 -7.538 -18.777 -5.708 144 HA SER 22 HA SER 22 -5.152 -20.249 -5.533 145 HB2 SER 22 HB2 SER 22 -5.584 -18.206 -7.689 146 HB3 SER 22 HB3 SER 22 -4.875 -19.816 -7.808 147 HG SER 22 HG SER 22 -6.991 -20.656 -7.414 148 H GLU 23 H GLU 23 -3.172 -18.911 -6.807 149 HA GLU 23 HA GLU 23 -2.529 -16.692 -4.977 150 HB2 GLU 23 HB2 GLU 23 -1.290 -18.932 -4.659 151 HB3 GLU 23 HB3 GLU 23 -0.456 -18.527 -6.153 152 HG2 GLU 23 HG2 GLU 23 0.630 -16.713 -5.210 153 HG3 GLU 23 HG3 GLU 23 -0.528 -16.580 -3.888 154 H LYS 24 H LYS 24 -2.292 -18.012 -8.210 155 HA LYS 24 HA LYS 24 -0.597 -16.241 -9.455 156 HB2 LYS 24 HB2 LYS 24 -1.558 -18.155 -10.609 157 HB3 LYS 24 HB3 LYS 24 -3.160 -17.435 -10.527 158 HG2 LYS 24 HG2 LYS 24 -2.503 -15.672 -12.020 159 HG3 LYS 24 HG3 LYS 24 -0.831 -16.236 -12.011 160 HD2 LYS 24 HD2 LYS 24 -1.444 -18.264 -13.134 161 HD3 LYS 24 HD3 LYS 24 -3.162 -17.887 -12.979 162 HE2 LYS 24 HE2 LYS 24 -2.389 -17.419 -15.233 163 HE3 LYS 24 HE3 LYS 24 -2.851 -15.926 -14.418 164 HZ1 LYS 24 HZ1 LYS 24 -0.072 -16.924 -14.745 165 HZ2 LYS 24 HZ2 LYS 24 -0.518 -15.487 -13.973 166 HZ3 LYS 24 HZ3 LYS 24 -0.779 -15.670 -15.634 167 H TYR 25 H TYR 25 -3.894 -15.730 -8.402 168 HA TYR 25 HA TYR 25 -3.719 -12.948 -9.360 169 HB2 TYR 25 HB2 TYR 25 -6.420 -13.669 -8.757 170 HB3 TYR 25 HB3 TYR 25 -5.730 -13.186 -10.303 171 HD1 TYR 25 HD1 TYR 25 -4.662 -14.989 -11.750 172 HD2 TYR 25 HD2 TYR 25 -7.127 -15.877 -8.398 173 HE1 TYR 25 HE1 TYR 25 -5.025 -17.258 -12.626 174 HE2 TYR 25 HE2 TYR 25 -7.496 -18.149 -9.264 175 HH TYR 25 HH TYR 25 -7.304 -19.132 -11.990 176 H LYS 26 H LYS 26 -2.652 -13.884 -6.881 177 HA LYS 26 HA LYS 26 -4.397 -12.427 -5.007 178 HB2 LYS 26 HB2 LYS 26 -3.952 -15.069 -4.787 179 HB3 LYS 26 HB3 LYS 26 -2.546 -14.473 -3.915 180 HG2 LYS 26 HG2 LYS 26 -4.556 -12.972 -2.840 181 HG3 LYS 26 HG3 LYS 26 -5.360 -14.515 -3.140 182 HD2 LYS 26 HD2 LYS 26 -2.786 -14.133 -1.609 183 HD3 LYS 26 HD3 LYS 26 -4.375 -14.432 -0.899 184 HE2 LYS 26 HE2 LYS 26 -4.473 -16.590 -2.068 185 HE3 LYS 26 HE3 LYS 26 -2.873 -16.289 -2.744 186 HZ1 LYS 26 HZ1 LYS 26 -1.963 -16.269 -0.514 187 HZ2 LYS 26 HZ2 LYS 26 -2.776 -17.724 -0.797 188 HZ3 LYS 26 HZ3 LYS 26 -3.498 -16.523 0.151 189 H ARG 27 H ARG 27 -1.127 -13.229 -6.009 190 HA ARG 27 HA ARG 27 0.137 -11.528 -4.077 191 HB2 ARG 27 HB2 ARG 27 2.192 -11.976 -5.359 192 HB3 ARG 27 HB3 ARG 27 1.323 -13.456 -4.971 193 HG2 ARG 27 HG2 ARG 27 0.415 -13.522 -7.236 194 HG3 ARG 27 HG3 ARG 27 1.280 -12.034 -7.625 195 HD2 ARG 27 HD2 ARG 27 2.495 -13.973 -8.448 196 HD3 ARG 27 HD3 ARG 27 3.408 -13.159 -7.178 197 HE ARG 27 HE ARG 27 1.874 -15.193 -6.014 198 HH11 ARG 27 HH11 ARG 27 4.592 -14.800 -8.153 199 HH12 ARG 27 HH12 ARG 27 5.328 -16.302 -7.705 200 HH21 ARG 27 HH21 ARG 27 2.833 -17.173 -5.415 201 HH22 ARG 27 HH22 ARG 27 4.327 -17.652 -6.148 202 H ASN 28 H ASN 28 -1.009 -11.199 -7.364 203 HA ASN 28 HA ASN 28 0.179 -8.541 -7.601 204 HB2 ASN 28 HB2 ASN 28 -1.128 -8.789 -9.914 205 HB3 ASN 28 HB3 ASN 28 0.456 -9.515 -9.655 206 HD21 ASN 28 HD21 ASN 28 0.657 -11.597 -10.058 207 HD22 ASN 28 HD22 ASN 28 -0.640 -12.729 -10.208 208 H CYS 29 H CYS 29 -3.035 -9.920 -8.318 209 HA CYS 29 HA CYS 29 -4.291 -7.358 -7.905 210 HB2 CYS 29 HB2 CYS 29 -4.914 -9.452 -9.490 211 HB3 CYS 29 HB3 CYS 29 -5.963 -9.794 -8.118 212 H ALA 30 H ALA 30 -3.169 -7.695 -5.591 213 HA ALA 30 HA ALA 30 -4.606 -9.245 -3.690 214 HB1 ALA 30 HB1 ALA 30 -2.201 -8.153 -3.616 215 HB2 ALA 30 HB2 ALA 30 -3.082 -6.843 -2.829 216 HB3 ALA 30 HB3 ALA 30 -3.120 -8.468 -2.143 217 H ILE 31 H ILE 31 -4.643 -5.792 -4.531 218 HA ILE 31 HA ILE 31 -6.414 -4.854 -2.640 219 HB ILE 31 HB ILE 31 -6.200 -4.012 -5.532 220 HG12 ILE 31 HG12 ILE 31 -4.102 -3.835 -4.239 221 HG13 ILE 31 HG13 ILE 31 -4.734 -2.254 -4.685 222 HG21 ILE 31 HG21 ILE 31 -7.737 -2.914 -3.229 223 HG22 ILE 31 HG22 ILE 31 -7.048 -1.799 -4.407 224 HG23 ILE 31 HG23 ILE 31 -8.188 -3.039 -4.929 225 HD11 ILE 31 HD11 ILE 31 -5.813 -2.890 -2.163 226 HD12 ILE 31 HD12 ILE 31 -4.090 -3.263 -2.109 227 HD13 ILE 31 HD13 ILE 31 -4.628 -1.648 -2.567 228 H THR 32 H THR 32 -7.061 -6.746 -5.502 229 HA THR 32 HA THR 32 -9.938 -6.402 -5.252 230 HB THR 32 HB THR 32 -8.422 -8.191 -7.160 231 HG1 THR 32 HG1 THR 32 -9.107 -5.461 -7.248 232 HG21 THR 32 HG21 THR 32 -10.394 -8.643 -8.191 233 HG22 THR 32 HG22 THR 32 -11.078 -7.062 -7.812 234 HG23 THR 32 HG23 THR 32 -11.041 -8.325 -6.582 235 H CYS 33 H CYS 33 -7.476 -8.858 -4.706 236 HA CYS 33 HA CYS 33 -9.255 -10.998 -4.171 237 HB2 CYS 33 HB2 CYS 33 -6.486 -10.675 -4.386 238 HB3 CYS 33 HB3 CYS 33 -6.748 -11.199 -2.726 239 H GLY 34 H GLY 34 -7.174 -9.237 -1.862 240 HA2 GLY 34 HA2 GLY 34 -8.163 -8.176 0.095 241 HA3 GLY 34 HA3 GLY 34 -9.365 -9.458 0.105 242 H ALA 35 H ALA 35 -5.891 -9.859 -0.351 243 HA ALA 35 HA ALA 35 -5.728 -11.115 2.305 244 HB1 ALA 35 HB1 ALA 35 -4.431 -12.948 1.416 245 HB2 ALA 35 HB2 ALA 35 -5.979 -12.857 0.574 246 HB3 ALA 35 HB3 ALA 35 -4.514 -12.261 -0.207 247 H CYS 36 H CYS 36 -4.929 -8.508 1.739 248 HA CYS 36 HA CYS 36 -2.003 -8.669 1.543 249 HB2 CYS 36 HB2 CYS 36 -3.561 -7.042 0.152 250 HB3 CYS 36 HB3 CYS 36 -3.459 -6.062 1.611 Start of MODEL 7 1 H1 ALA 1 H ALA 1 3.178 -5.541 -0.380 2 HA ALA 1 HA ALA 1 2.507 -2.697 0.015 3 HB1 ALA 1 HB1 ALA 1 3.802 -2.184 -1.708 4 HB2 ALA 1 HB2 ALA 1 4.260 -3.879 -1.870 5 HB3 ALA 1 HB3 ALA 1 2.863 -3.255 -2.748 6 H CYS 2 H CYS 2 0.489 -2.060 -0.465 7 HA CYS 2 HA CYS 2 -1.384 -4.097 -1.407 8 HB2 CYS 2 HB2 CYS 2 -1.549 -1.739 0.332 9 HB3 CYS 2 HB3 CYS 2 -2.901 -1.891 -0.785 10 H LYS 3 H LYS 3 -1.405 -4.177 -3.578 11 HA LYS 3 HA LYS 3 -2.599 -2.077 -5.052 12 HB2 LYS 3 HB2 LYS 3 -0.742 -1.508 -6.538 13 HB3 LYS 3 HB3 LYS 3 -0.365 -1.084 -4.873 14 HG2 LYS 3 HG2 LYS 3 1.591 -2.075 -5.389 15 HG3 LYS 3 HG3 LYS 3 0.703 -3.533 -4.939 16 HD2 LYS 3 HD2 LYS 3 1.444 -4.241 -6.959 17 HD3 LYS 3 HD3 LYS 3 0.014 -3.376 -7.526 18 HE2 LYS 3 HE2 LYS 3 1.231 -1.686 -8.433 19 HE3 LYS 3 HE3 LYS 3 2.496 -1.795 -7.210 20 HZ1 LYS 3 HZ1 LYS 3 2.174 -3.346 -9.688 21 HZ2 LYS 3 HZ2 LYS 3 3.011 -4.027 -8.386 22 HZ3 LYS 3 HZ3 LYS 3 3.553 -2.581 -9.075 23 H ASP 4 H ASP 4 -3.575 -2.909 -6.802 24 HA ASP 4 HA ASP 4 -3.163 -5.716 -7.390 25 HB2 ASP 4 HB2 ASP 4 -5.105 -5.324 -8.983 26 HB3 ASP 4 HB3 ASP 4 -5.442 -5.066 -7.274 27 H VAL 5 H VAL 5 -1.652 -6.323 -8.782 28 HA VAL 5 HA VAL 5 -0.582 -4.507 -10.746 29 HB VAL 5 HB VAL 5 0.023 -7.449 -10.457 30 HG11 VAL 5 HG11 VAL 5 2.147 -5.630 -11.276 31 HG12 VAL 5 HG12 VAL 5 1.622 -7.156 -11.991 32 HG13 VAL 5 HG13 VAL 5 0.786 -5.656 -12.396 33 HG21 VAL 5 HG21 VAL 5 2.086 -5.977 -9.294 34 HG22 VAL 5 HG22 VAL 5 0.601 -5.265 -8.663 35 HG23 VAL 5 HG23 VAL 5 0.905 -6.991 -8.465 36 H PHE 6 H PHE 6 -2.426 -7.542 -10.809 37 HA PHE 6 HA PHE 6 -2.574 -7.770 -13.611 38 HB2 PHE 6 HB2 PHE 6 -3.993 -8.972 -11.295 39 HB3 PHE 6 HB3 PHE 6 -4.798 -9.071 -12.857 40 HD1 PHE 6 HD1 PHE 6 -1.146 -9.106 -12.460 41 HD2 PHE 6 HD2 PHE 6 -4.652 -11.440 -13.070 42 HE1 PHE 6 HE1 PHE 6 0.251 -11.043 -13.052 43 HE2 PHE 6 HE2 PHE 6 -3.261 -13.381 -13.662 44 HZ PHE 6 HZ PHE 6 -0.806 -13.184 -13.655 45 HA PRO 7 HA PRO 7 -5.660 -4.919 -14.869 46 HB2 PRO 7 HB2 PRO 7 -7.082 -6.350 -16.687 47 HB3 PRO 7 HB3 PRO 7 -5.443 -5.763 -16.995 48 HG2 PRO 7 HG2 PRO 7 -6.352 -8.487 -16.148 49 HG3 PRO 7 HG3 PRO 7 -5.133 -8.039 -17.357 50 HD2 PRO 7 HD2 PRO 7 -4.478 -8.844 -14.856 51 HD3 PRO 7 HD3 PRO 7 -3.509 -7.666 -15.764 52 H ALA 8 H ALA 8 -7.688 -4.227 -14.349 53 HA ALA 8 HA ALA 8 -9.130 -5.514 -12.331 54 HB1 ALA 8 HB1 ALA 8 -9.193 -3.078 -12.833 55 HB2 ALA 8 HB2 ALA 8 -10.208 -3.437 -14.230 56 HB3 ALA 8 HB3 ALA 8 -10.785 -3.802 -12.604 57 H ALA 9 H ALA 9 -9.610 -5.459 -15.831 58 HA ALA 9 HA ALA 9 -12.099 -6.626 -16.041 59 HB1 ALA 9 HB1 ALA 9 -11.405 -6.088 -18.113 60 HB2 ALA 9 HB2 ALA 9 -9.717 -6.460 -17.761 61 HB3 ALA 9 HB3 ALA 9 -10.845 -7.760 -18.145 62 H THR 10 H THR 10 -8.967 -8.202 -15.562 63 HA THR 10 HA THR 10 -10.086 -10.851 -15.634 64 HB THR 10 HB THR 10 -7.356 -9.905 -14.740 65 HG1 THR 10 HG1 THR 10 -7.922 -9.636 -17.010 66 HG21 THR 10 HG21 THR 10 -6.998 -11.968 -13.983 67 HG22 THR 10 HG22 THR 10 -7.333 -12.602 -15.595 68 HG23 THR 10 HG23 THR 10 -8.640 -12.436 -14.423 69 H CYS 11 H CYS 11 -8.627 -8.835 -13.079 70 HA CYS 11 HA CYS 11 -8.866 -10.417 -10.897 71 HB2 CYS 11 HB2 CYS 11 -9.555 -7.476 -11.067 72 HB3 CYS 11 HB3 CYS 11 -9.272 -8.349 -9.565 73 H ARG 12 H ARG 12 -11.450 -8.125 -11.801 74 HA ARG 12 HA ARG 12 -13.395 -9.021 -10.074 75 HB2 ARG 12 HB2 ARG 12 -15.037 -8.061 -11.636 76 HB3 ARG 12 HB3 ARG 12 -13.655 -6.998 -11.404 77 HG2 ARG 12 HG2 ARG 12 -12.789 -8.275 -13.559 78 HG3 ARG 12 HG3 ARG 12 -14.522 -8.490 -13.810 79 HD2 ARG 12 HD2 ARG 12 -13.064 -5.878 -13.429 80 HD3 ARG 12 HD3 ARG 12 -13.765 -6.482 -14.930 81 HE ARG 12 HE ARG 12 -15.851 -6.415 -13.164 82 HH11 ARG 12 HH11 ARG 12 -13.546 -4.099 -14.366 83 HH12 ARG 12 HH12 ARG 12 -14.624 -2.751 -14.212 84 HH21 ARG 12 HH21 ARG 12 -17.279 -4.649 -12.957 85 HH22 ARG 12 HH22 ARG 12 -16.747 -3.065 -13.409 86 H HIS 13 H HIS 13 -12.563 -10.270 -13.273 87 HA HIS 13 HA HIS 13 -14.692 -12.098 -13.508 88 HB2 HIS 13 HB2 HIS 13 -12.784 -11.270 -15.200 89 HB3 HIS 13 HB3 HIS 13 -12.068 -12.803 -14.712 90 HD1 HIS 13 HD1 HIS 13 -15.521 -11.664 -15.865 91 HD2 HIS 13 HD2 HIS 13 -12.825 -14.784 -16.370 92 HE1 HIS 13 HE1 HIS 13 -16.601 -13.226 -17.514 93 H ALA 14 H ALA 14 -11.555 -12.303 -11.954 94 HA ALA 14 HA ALA 14 -11.580 -15.110 -11.521 95 HB1 ALA 14 HB1 ALA 14 -10.039 -12.851 -10.281 96 HB2 ALA 14 HB2 ALA 14 -9.847 -14.521 -9.747 97 HB3 ALA 14 HB3 ALA 14 -9.475 -14.080 -11.413 98 H LYS 15 H LYS 15 -12.281 -12.362 -9.360 99 HA LYS 15 HA LYS 15 -13.023 -13.849 -7.119 100 HB2 LYS 15 HB2 LYS 15 -14.297 -11.221 -7.851 101 HB3 LYS 15 HB3 LYS 15 -13.943 -11.852 -6.248 102 HG2 LYS 15 HG2 LYS 15 -12.001 -10.795 -8.282 103 HG3 LYS 15 HG3 LYS 15 -12.372 -10.139 -6.686 104 HD2 LYS 15 HD2 LYS 15 -10.671 -11.324 -5.877 105 HD3 LYS 15 HD3 LYS 15 -11.579 -12.791 -6.252 106 HE2 LYS 15 HE2 LYS 15 -10.319 -13.259 -8.062 107 HE3 LYS 15 HE3 LYS 15 -10.175 -11.564 -8.527 108 HZ1 LYS 15 HZ1 LYS 15 -8.382 -13.195 -6.994 109 HZ2 LYS 15 HZ2 LYS 15 -8.724 -11.720 -6.240 110 HZ3 LYS 15 HZ3 LYS 15 -8.090 -11.741 -7.808 111 H SER 16 H SER 16 -15.023 -12.581 -9.766 112 HA SER 16 HA SER 16 -17.540 -13.165 -8.974 113 HB2 SER 16 HB2 SER 16 -16.649 -12.334 -11.277 114 HB3 SER 16 HB3 SER 16 -16.689 -14.040 -11.720 115 HG SER 16 HG SER 16 -18.712 -13.645 -12.131 116 H VAL 17 H VAL 17 -15.314 -15.514 -10.456 117 HA VAL 17 HA VAL 17 -17.128 -17.704 -9.919 118 HB VAL 17 HB VAL 17 -15.302 -19.123 -10.861 119 HG11 VAL 17 HG11 VAL 17 -15.464 -18.178 -13.174 120 HG12 VAL 17 HG12 VAL 17 -17.011 -18.361 -12.343 121 HG13 VAL 17 HG13 VAL 17 -16.263 -16.769 -12.477 122 HG21 VAL 17 HG21 VAL 17 -13.431 -17.665 -10.161 123 HG22 VAL 17 HG22 VAL 17 -13.368 -18.087 -11.872 124 HG23 VAL 17 HG23 VAL 17 -13.925 -16.489 -11.379 125 H GLY 18 H GLY 18 -14.229 -16.317 -8.537 126 HA2 GLY 18 HA2 GLY 18 -13.798 -16.603 -6.184 127 HA3 GLY 18 HA3 GLY 18 -14.479 -18.219 -6.301 128 H ASN 19 H ASN 19 -12.196 -16.878 -8.604 129 HA ASN 19 HA ASN 19 -10.431 -19.111 -8.213 130 HB2 ASN 19 HB2 ASN 19 -10.914 -17.197 -10.258 131 HB3 ASN 19 HB3 ASN 19 -9.216 -17.069 -9.808 132 HD21 ASN 19 HD21 ASN 19 -10.805 -18.226 -12.150 133 HD22 ASN 19 HD22 ASN 19 -10.091 -19.782 -12.389 134 H CYS 20 H CYS 20 -10.788 -16.110 -6.740 135 HA CYS 20 HA CYS 20 -8.262 -15.147 -6.280 136 HB2 CYS 20 HB2 CYS 20 -10.193 -13.973 -5.447 137 HB3 CYS 20 HB3 CYS 20 -10.604 -15.309 -4.378 138 H SER 21 H SER 21 -9.785 -17.975 -4.894 139 HA SER 21 HA SER 21 -8.177 -18.489 -2.717 140 HB2 SER 21 HB2 SER 21 -10.195 -19.816 -3.529 141 HB3 SER 21 HB3 SER 21 -9.089 -20.647 -4.623 142 HG SER 21 HG SER 21 -9.578 -21.338 -2.204 143 H SER 22 H SER 22 -7.496 -18.982 -6.125 144 HA SER 22 HA SER 22 -5.186 -20.562 -5.856 145 HB2 SER 22 HB2 SER 22 -5.562 -18.558 -8.073 146 HB3 SER 22 HB3 SER 22 -4.797 -20.146 -8.141 147 HG SER 22 HG SER 22 -7.529 -19.486 -8.063 148 H GLU 23 H GLU 23 -3.135 -19.330 -7.153 149 HA GLU 23 HA GLU 23 -2.422 -17.098 -5.366 150 HB2 GLU 23 HB2 GLU 23 -1.238 -19.174 -4.757 151 HB3 GLU 23 HB3 GLU 23 -0.593 -19.276 -6.389 152 HG2 GLU 23 HG2 GLU 23 0.690 -17.284 -6.080 153 HG3 GLU 23 HG3 GLU 23 -0.075 -16.977 -4.522 154 H LYS 24 H LYS 24 -2.200 -18.514 -8.557 155 HA LYS 24 HA LYS 24 -0.406 -16.843 -9.814 156 HB2 LYS 24 HB2 LYS 24 -1.386 -18.754 -10.941 157 HB3 LYS 24 HB3 LYS 24 -2.977 -18.006 -10.898 158 HG2 LYS 24 HG2 LYS 24 -2.324 -16.336 -12.459 159 HG3 LYS 24 HG3 LYS 24 -0.629 -16.818 -12.354 160 HD2 LYS 24 HD2 LYS 24 -1.047 -18.862 -13.476 161 HD3 LYS 24 HD3 LYS 24 -2.795 -18.677 -13.311 162 HE2 LYS 24 HE2 LYS 24 -2.135 -18.173 -15.579 163 HE3 LYS 24 HE3 LYS 24 -2.693 -16.701 -14.785 164 HZ1 LYS 24 HZ1 LYS 24 0.145 -17.184 -14.558 165 HZ2 LYS 24 HZ2 LYS 24 -0.684 -15.762 -14.947 166 HZ3 LYS 24 HZ3 LYS 24 -0.388 -16.921 -16.142 167 H TYR 25 H TYR 25 -3.659 -16.168 -8.767 168 HA TYR 25 HA TYR 25 -3.347 -13.407 -9.746 169 HB2 TYR 25 HB2 TYR 25 -6.118 -14.035 -9.453 170 HB3 TYR 25 HB3 TYR 25 -5.248 -13.561 -10.907 171 HD1 TYR 25 HD1 TYR 25 -4.132 -15.371 -12.287 172 HD2 TYR 25 HD2 TYR 25 -6.909 -16.235 -9.180 173 HE1 TYR 25 HE1 TYR 25 -4.486 -17.613 -13.234 174 HE2 TYR 25 HE2 TYR 25 -7.269 -18.480 -10.118 175 HH TYR 25 HH TYR 25 -6.303 -19.363 -13.195 176 H LYS 26 H LYS 26 -2.552 -14.370 -7.204 177 HA LYS 26 HA LYS 26 -4.507 -13.008 -5.468 178 HB2 LYS 26 HB2 LYS 26 -4.067 -15.567 -5.177 179 HB3 LYS 26 HB3 LYS 26 -2.572 -15.043 -4.414 180 HG2 LYS 26 HG2 LYS 26 -4.378 -13.482 -3.133 181 HG3 LYS 26 HG3 LYS 26 -5.332 -14.937 -3.433 182 HD2 LYS 26 HD2 LYS 26 -2.987 -16.007 -2.569 183 HD3 LYS 26 HD3 LYS 26 -3.047 -14.509 -1.636 184 HE2 LYS 26 HE2 LYS 26 -5.539 -15.281 -1.228 185 HE3 LYS 26 HE3 LYS 26 -4.860 -16.870 -1.576 186 HZ1 LYS 26 HZ1 LYS 26 -4.888 -16.109 0.832 187 HZ2 LYS 26 HZ2 LYS 26 -3.627 -15.063 0.412 188 HZ3 LYS 26 HZ3 LYS 26 -3.431 -16.735 0.244 189 H ARG 27 H ARG 27 -1.137 -13.512 -6.285 190 HA ARG 27 HA ARG 27 -0.125 -11.783 -4.230 191 HB2 ARG 27 HB2 ARG 27 2.027 -12.016 -5.418 192 HB3 ARG 27 HB3 ARG 27 1.272 -13.570 -5.091 193 HG2 ARG 27 HG2 ARG 27 0.423 -13.584 -7.425 194 HG3 ARG 27 HG3 ARG 27 1.344 -12.108 -7.720 195 HD2 ARG 27 HD2 ARG 27 2.397 -14.836 -7.008 196 HD3 ARG 27 HD3 ARG 27 2.662 -13.930 -8.497 197 HE ARG 27 HE ARG 27 4.088 -13.647 -6.023 198 HH11 ARG 27 HH11 ARG 27 3.116 -12.041 -8.954 199 HH12 ARG 27 HH12 ARG 27 4.421 -10.902 -8.917 200 HH21 ARG 27 HH21 ARG 27 5.810 -12.154 -5.963 201 HH22 ARG 27 HH22 ARG 27 5.954 -10.968 -7.215 202 H ASN 28 H ASN 28 -0.757 -11.492 -7.702 203 HA ASN 28 HA ASN 28 0.227 -8.824 -7.907 204 HB2 ASN 28 HB2 ASN 28 -1.273 -8.947 -10.076 205 HB3 ASN 28 HB3 ASN 28 0.230 -9.858 -9.969 206 HD21 ASN 28 HD21 ASN 28 0.176 -12.017 -10.115 207 HD22 ASN 28 HD22 ASN 28 -1.267 -12.957 -10.254 208 H CYS 29 H CYS 29 -3.112 -10.013 -8.324 209 HA CYS 29 HA CYS 29 -4.177 -7.403 -7.723 210 HB2 CYS 29 HB2 CYS 29 -5.065 -9.446 -9.272 211 HB3 CYS 29 HB3 CYS 29 -6.017 -9.714 -7.815 212 H ALA 30 H ALA 30 -2.931 -7.716 -5.537 213 HA ALA 30 HA ALA 30 -4.166 -9.309 -3.529 214 HB1 ALA 30 HB1 ALA 30 -1.857 -7.701 -3.748 215 HB2 ALA 30 HB2 ALA 30 -2.785 -7.096 -2.375 216 HB3 ALA 30 HB3 ALA 30 -2.307 -8.792 -2.437 217 H ILE 31 H ILE 31 -4.506 -5.955 -4.558 218 HA ILE 31 HA ILE 31 -6.065 -5.011 -2.437 219 HB ILE 31 HB ILE 31 -6.155 -4.169 -5.336 220 HG12 ILE 31 HG12 ILE 31 -3.920 -3.989 -4.296 221 HG13 ILE 31 HG13 ILE 31 -4.604 -2.410 -4.667 222 HG21 ILE 31 HG21 ILE 31 -8.119 -3.351 -4.300 223 HG22 ILE 31 HG22 ILE 31 -7.244 -2.894 -2.840 224 HG23 ILE 31 HG23 ILE 31 -6.983 -2.003 -4.339 225 HD11 ILE 31 HD11 ILE 31 -3.671 -3.426 -2.177 226 HD12 ILE 31 HD12 ILE 31 -4.240 -1.805 -2.577 227 HD13 ILE 31 HD13 ILE 31 -5.385 -3.034 -2.039 228 H THR 32 H THR 32 -6.889 -6.961 -5.205 229 HA THR 32 HA THR 32 -9.747 -6.671 -4.744 230 HB THR 32 HB THR 32 -8.248 -8.354 -6.762 231 HG1 THR 32 HG1 THR 32 -8.135 -6.062 -7.089 232 HG21 THR 32 HG21 THR 32 -10.184 -9.447 -7.006 233 HG22 THR 32 HG22 THR 32 -10.841 -7.946 -7.660 234 HG23 THR 32 HG23 THR 32 -11.035 -8.322 -5.948 235 H CYS 33 H CYS 33 -7.228 -9.139 -4.473 236 HA CYS 33 HA CYS 33 -8.999 -11.205 -3.614 237 HB2 CYS 33 HB2 CYS 33 -6.253 -10.981 -4.313 238 HB3 CYS 33 HB3 CYS 33 -6.333 -11.683 -2.701 239 H GLY 34 H GLY 34 -6.323 -9.707 -1.790 240 HA2 GLY 34 HA2 GLY 34 -7.277 -10.504 0.730 241 HA3 GLY 34 HA3 GLY 34 -6.103 -9.227 0.443 242 H ALA 35 H ALA 35 -7.876 -7.598 -1.159 243 HA ALA 35 HA ALA 35 -9.390 -5.915 -0.922 244 HB1 ALA 35 HB1 ALA 35 -10.755 -7.505 1.225 245 HB2 ALA 35 HB2 ALA 35 -11.458 -6.378 0.065 246 HB3 ALA 35 HB3 ALA 35 -10.875 -7.951 -0.477 247 H CYS 36 H CYS 36 -7.138 -5.303 0.267 248 HA CYS 36 HA CYS 36 -7.506 -4.691 3.069 249 HB2 CYS 36 HB2 CYS 36 -5.255 -3.885 3.029 250 HB3 CYS 36 HB3 CYS 36 -5.294 -5.356 2.062 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.524 -0.734 -0.840 2 HA ALA 1 HA ALA 1 3.424 -1.146 -1.154 3 HB1 ALA 1 HB1 ALA 1 2.268 -3.007 0.678 4 HB2 ALA 1 HB2 ALA 1 3.481 -1.761 0.976 5 HB3 ALA 1 HB3 ALA 1 1.766 -1.373 1.114 6 H CYS 2 H CYS 2 0.346 -2.946 -1.102 7 HA CYS 2 HA CYS 2 1.495 -4.770 -3.110 8 HB2 CYS 2 HB2 CYS 2 -0.540 -5.570 -1.027 9 HB3 CYS 2 HB3 CYS 2 0.349 -6.624 -2.121 10 H LYS 3 H LYS 3 0.250 -2.588 -4.031 11 HA LYS 3 HA LYS 3 -2.524 -2.661 -4.319 12 HB2 LYS 3 HB2 LYS 3 -0.324 -1.524 -6.025 13 HB3 LYS 3 HB3 LYS 3 -2.008 -1.402 -6.516 14 HG2 LYS 3 HG2 LYS 3 -2.455 -0.313 -4.286 15 HG3 LYS 3 HG3 LYS 3 -0.704 -0.228 -4.077 16 HD2 LYS 3 HD2 LYS 3 -0.452 1.210 -5.931 17 HD3 LYS 3 HD3 LYS 3 -2.090 0.883 -6.504 18 HE2 LYS 3 HE2 LYS 3 -2.834 1.898 -4.251 19 HE3 LYS 3 HE3 LYS 3 -1.199 2.553 -4.180 20 HZ1 LYS 3 HZ1 LYS 3 -1.562 3.892 -6.001 21 HZ2 LYS 3 HZ2 LYS 3 -3.069 3.949 -5.237 22 HZ3 LYS 3 HZ3 LYS 3 -2.844 2.957 -6.589 23 H ASP 4 H ASP 4 -3.383 -2.806 -6.785 24 HA ASP 4 HA ASP 4 -3.208 -5.619 -7.408 25 HB2 ASP 4 HB2 ASP 4 -4.950 -5.094 -9.103 26 HB3 ASP 4 HB3 ASP 4 -5.385 -4.561 -7.481 27 H VAL 5 H VAL 5 -1.501 -6.310 -8.526 28 HA VAL 5 HA VAL 5 -0.136 -4.630 -10.427 29 HB VAL 5 HB VAL 5 0.310 -7.574 -9.937 30 HG11 VAL 5 HG11 VAL 5 1.753 -5.428 -11.396 31 HG12 VAL 5 HG12 VAL 5 2.715 -6.639 -10.546 32 HG13 VAL 5 HG13 VAL 5 1.566 -7.137 -11.788 33 HG21 VAL 5 HG21 VAL 5 1.431 -5.183 -8.487 34 HG22 VAL 5 HG22 VAL 5 0.481 -6.504 -7.807 35 HG23 VAL 5 HG23 VAL 5 2.119 -6.803 -8.388 36 H PHE 6 H PHE 6 -2.362 -7.345 -10.524 37 HA PHE 6 HA PHE 6 -2.129 -7.679 -13.379 38 HB2 PHE 6 HB2 PHE 6 -3.588 -9.007 -11.173 39 HB3 PHE 6 HB3 PHE 6 -4.369 -9.060 -12.750 40 HD1 PHE 6 HD1 PHE 6 -0.745 -9.153 -11.951 41 HD2 PHE 6 HD2 PHE 6 -4.134 -11.275 -13.411 42 HE1 PHE 6 HE1 PHE 6 0.712 -11.025 -12.603 43 HE2 PHE 6 HE2 PHE 6 -2.682 -13.150 -14.065 44 HZ PHE 6 HZ PHE 6 -0.256 -13.028 -13.661 45 HA PRO 7 HA PRO 7 -5.240 -4.917 -14.767 46 HB2 PRO 7 HB2 PRO 7 -6.475 -6.352 -16.713 47 HB3 PRO 7 HB3 PRO 7 -4.846 -5.690 -16.895 48 HG2 PRO 7 HG2 PRO 7 -5.692 -8.472 -16.181 49 HG3 PRO 7 HG3 PRO 7 -4.416 -7.941 -17.292 50 HD2 PRO 7 HD2 PRO 7 -3.895 -8.788 -14.773 51 HD3 PRO 7 HD3 PRO 7 -2.919 -7.546 -15.584 52 H ALA 8 H ALA 8 -7.274 -4.304 -14.248 53 HA ALA 8 HA ALA 8 -8.802 -5.707 -12.405 54 HB1 ALA 8 HB1 ALA 8 -9.771 -3.593 -14.325 55 HB2 ALA 8 HB2 ALA 8 -10.554 -4.077 -12.820 56 HB3 ALA 8 HB3 ALA 8 -8.977 -3.288 -12.780 57 H ALA 9 H ALA 9 -9.028 -5.627 -15.924 58 HA ALA 9 HA ALA 9 -11.457 -6.857 -16.343 59 HB1 ALA 9 HB1 ALA 9 -10.027 -7.952 -18.341 60 HB2 ALA 9 HB2 ALA 9 -10.587 -6.279 -18.343 61 HB3 ALA 9 HB3 ALA 9 -8.935 -6.655 -17.856 62 H THR 10 H THR 10 -8.323 -8.385 -15.689 63 HA THR 10 HA THR 10 -9.390 -11.047 -15.817 64 HB THR 10 HB THR 10 -6.741 -10.039 -14.763 65 HG1 THR 10 HG1 THR 10 -7.104 -9.801 -17.046 66 HG21 THR 10 HG21 THR 10 -7.993 -12.606 -14.504 67 HG22 THR 10 HG22 THR 10 -6.414 -12.077 -13.924 68 HG23 THR 10 HG23 THR 10 -6.579 -12.741 -15.549 69 H CYS 11 H CYS 11 -8.187 -8.977 -13.178 70 HA CYS 11 HA CYS 11 -8.506 -10.562 -11.008 71 HB2 CYS 11 HB2 CYS 11 -9.390 -7.673 -11.173 72 HB3 CYS 11 HB3 CYS 11 -8.995 -8.547 -9.696 73 H ARG 12 H ARG 12 -11.119 -8.412 -12.147 74 HA ARG 12 HA ARG 12 -13.146 -9.347 -10.542 75 HB2 ARG 12 HB2 ARG 12 -14.707 -8.542 -12.281 76 HB3 ARG 12 HB3 ARG 12 -13.421 -7.390 -11.946 77 HG2 ARG 12 HG2 ARG 12 -12.255 -8.584 -13.970 78 HG3 ARG 12 HG3 ARG 12 -13.913 -9.033 -14.375 79 HD2 ARG 12 HD2 ARG 12 -14.208 -6.396 -13.808 80 HD3 ARG 12 HD3 ARG 12 -12.577 -6.416 -14.477 81 HE ARG 12 HE ARG 12 -13.466 -6.848 -16.542 82 HH11 ARG 12 HH11 ARG 12 -15.882 -7.448 -14.108 83 HH12 ARG 12 HH12 ARG 12 -17.164 -7.677 -15.251 84 HH21 ARG 12 HH21 ARG 12 -15.146 -7.147 -18.056 85 HH22 ARG 12 HH22 ARG 12 -16.744 -7.506 -17.496 86 H HIS 13 H HIS 13 -12.043 -10.646 -13.642 87 HA HIS 13 HA HIS 13 -14.007 -12.522 -14.132 88 HB2 HIS 13 HB2 HIS 13 -11.681 -11.874 -15.343 89 HB3 HIS 13 HB3 HIS 13 -11.227 -13.418 -14.627 90 HD1 HIS 13 HD1 HIS 13 -12.830 -11.999 -17.535 91 HD2 HIS 13 HD2 HIS 13 -13.085 -15.576 -15.438 92 HE1 HIS 13 HE1 HIS 13 -13.944 -13.619 -19.103 93 H ALA 14 H ALA 14 -11.311 -12.677 -11.886 94 HA ALA 14 HA ALA 14 -11.747 -15.443 -11.220 95 HB1 ALA 14 HB1 ALA 14 -9.639 -13.696 -10.928 96 HB2 ALA 14 HB2 ALA 14 -10.226 -13.902 -9.277 97 HB3 ALA 14 HB3 ALA 14 -9.754 -15.311 -10.228 98 H LYS 15 H LYS 15 -12.480 -12.308 -9.754 99 HA LYS 15 HA LYS 15 -13.511 -13.273 -7.323 100 HB2 LYS 15 HB2 LYS 15 -14.403 -10.768 -8.752 101 HB3 LYS 15 HB3 LYS 15 -14.454 -11.087 -7.023 102 HG2 LYS 15 HG2 LYS 15 -11.962 -10.781 -8.685 103 HG3 LYS 15 HG3 LYS 15 -12.641 -9.570 -7.597 104 HD2 LYS 15 HD2 LYS 15 -11.818 -12.320 -6.687 105 HD3 LYS 15 HD3 LYS 15 -10.724 -10.934 -6.675 106 HE2 LYS 15 HE2 LYS 15 -12.034 -9.787 -5.088 107 HE3 LYS 15 HE3 LYS 15 -13.408 -10.865 -5.325 108 HZ1 LYS 15 HZ1 LYS 15 -12.568 -12.380 -3.922 109 HZ2 LYS 15 HZ2 LYS 15 -11.659 -11.087 -3.319 110 HZ3 LYS 15 HZ3 LYS 15 -10.972 -12.154 -4.437 111 H SER 16 H SER 16 -15.145 -12.410 -10.361 112 HA SER 16 HA SER 16 -17.760 -12.713 -9.754 113 HB2 SER 16 HB2 SER 16 -16.268 -13.670 -12.197 114 HB3 SER 16 HB3 SER 16 -18.026 -13.738 -12.078 115 HG SER 16 HG SER 16 -16.965 -11.780 -13.046 116 H VAL 17 H VAL 17 -15.623 -15.418 -10.665 117 HA VAL 17 HA VAL 17 -17.612 -17.372 -9.925 118 HB VAL 17 HB VAL 17 -15.866 -19.038 -10.461 119 HG11 VAL 17 HG11 VAL 17 -15.587 -18.342 -12.888 120 HG12 VAL 17 HG12 VAL 17 -17.239 -18.417 -12.272 121 HG13 VAL 17 HG13 VAL 17 -16.433 -16.858 -12.451 122 HG21 VAL 17 HG21 VAL 17 -13.916 -17.773 -9.721 123 HG22 VAL 17 HG22 VAL 17 -13.727 -18.297 -11.395 124 HG23 VAL 17 HG23 VAL 17 -14.151 -16.623 -11.038 125 H GLY 18 H GLY 18 -14.731 -15.959 -8.513 126 HA2 GLY 18 HA2 GLY 18 -14.433 -15.847 -6.151 127 HA3 GLY 18 HA3 GLY 18 -15.388 -17.314 -5.991 128 H ASN 19 H ASN 19 -12.639 -16.686 -8.137 129 HA ASN 19 HA ASN 19 -11.332 -19.063 -7.053 130 HB2 ASN 19 HB2 ASN 19 -11.535 -17.908 -9.644 131 HB3 ASN 19 HB3 ASN 19 -9.836 -17.878 -9.182 132 HD21 ASN 19 HD21 ASN 19 -11.027 -19.438 -11.250 133 HD22 ASN 19 HD22 ASN 19 -10.773 -21.100 -10.850 134 H CYS 20 H CYS 20 -11.444 -16.334 -5.750 135 HA CYS 20 HA CYS 20 -8.972 -15.056 -5.842 136 HB2 CYS 20 HB2 CYS 20 -10.901 -14.076 -4.719 137 HB3 CYS 20 HB3 CYS 20 -10.874 -15.354 -3.508 138 H SER 21 H SER 21 -9.934 -18.005 -4.269 139 HA SER 21 HA SER 21 -7.994 -18.299 -2.326 140 HB2 SER 21 HB2 SER 21 -9.724 -19.929 -2.440 141 HB3 SER 21 HB3 SER 21 -9.325 -20.342 -4.107 142 HG SER 21 HG SER 21 -8.555 -21.763 -2.285 143 H SER 22 H SER 22 -7.757 -18.819 -5.798 144 HA SER 22 HA SER 22 -5.302 -20.127 -5.911 145 HB2 SER 22 HB2 SER 22 -6.648 -18.229 -7.833 146 HB3 SER 22 HB3 SER 22 -5.121 -19.027 -8.209 147 HG SER 22 HG SER 22 -6.395 -21.020 -7.577 148 H GLU 23 H GLU 23 -3.383 -18.904 -7.151 149 HA GLU 23 HA GLU 23 -2.662 -16.636 -5.417 150 HB2 GLU 23 HB2 GLU 23 -1.278 -18.663 -5.122 151 HB3 GLU 23 HB3 GLU 23 -0.834 -18.592 -6.822 152 HG2 GLU 23 HG2 GLU 23 0.341 -16.539 -6.502 153 HG3 GLU 23 HG3 GLU 23 -0.252 -16.400 -4.848 154 H LYS 24 H LYS 24 -2.737 -17.836 -8.707 155 HA LYS 24 HA LYS 24 -1.247 -15.945 -10.046 156 HB2 LYS 24 HB2 LYS 24 -2.220 -17.876 -11.165 157 HB3 LYS 24 HB3 LYS 24 -3.839 -17.238 -10.912 158 HG2 LYS 24 HG2 LYS 24 -3.378 -15.381 -12.387 159 HG3 LYS 24 HG3 LYS 24 -1.708 -15.918 -12.581 160 HD2 LYS 24 HD2 LYS 24 -3.521 -18.068 -13.179 161 HD3 LYS 24 HD3 LYS 24 -3.932 -16.640 -14.132 162 HE2 LYS 24 HE2 LYS 24 -1.325 -16.573 -14.517 163 HE3 LYS 24 HE3 LYS 24 -1.452 -18.290 -14.139 164 HZ1 LYS 24 HZ1 LYS 24 -3.371 -18.169 -15.883 165 HZ2 LYS 24 HZ2 LYS 24 -1.763 -18.315 -16.386 166 HZ3 LYS 24 HZ3 LYS 24 -2.529 -16.807 -16.428 167 H TYR 25 H TYR 25 -4.401 -15.622 -8.597 168 HA TYR 25 HA TYR 25 -4.436 -12.795 -9.426 169 HB2 TYR 25 HB2 TYR 25 -7.078 -13.699 -8.792 170 HB3 TYR 25 HB3 TYR 25 -6.472 -13.047 -10.310 171 HD1 TYR 25 HD1 TYR 25 -5.385 -14.651 -11.955 172 HD2 TYR 25 HD2 TYR 25 -7.647 -15.970 -8.601 173 HE1 TYR 25 HE1 TYR 25 -5.668 -16.851 -13.018 174 HE2 TYR 25 HE2 TYR 25 -7.934 -18.174 -9.654 175 HH TYR 25 HH TYR 25 -6.143 -19.350 -11.979 176 H LYS 26 H LYS 26 -3.206 -13.767 -7.083 177 HA LYS 26 HA LYS 26 -4.871 -12.434 -5.071 178 HB2 LYS 26 HB2 LYS 26 -5.046 -14.945 -4.857 179 HB3 LYS 26 HB3 LYS 26 -3.327 -14.963 -4.486 180 HG2 LYS 26 HG2 LYS 26 -3.619 -14.010 -2.425 181 HG3 LYS 26 HG3 LYS 26 -5.117 -13.199 -2.891 182 HD2 LYS 26 HD2 LYS 26 -6.371 -14.926 -2.225 183 HD3 LYS 26 HD3 LYS 26 -5.325 -16.098 -3.031 184 HE2 LYS 26 HE2 LYS 26 -4.332 -16.645 -1.113 185 HE3 LYS 26 HE3 LYS 26 -4.035 -14.955 -0.711 186 HZ1 LYS 26 HZ1 LYS 26 -6.780 -15.812 -0.407 187 HZ2 LYS 26 HZ2 LYS 26 -5.818 -14.876 0.621 188 HZ3 LYS 26 HZ3 LYS 26 -5.690 -16.562 0.647 189 H ARG 27 H ARG 27 -1.676 -13.643 -5.981 190 HA ARG 27 HA ARG 27 -0.283 -12.154 -3.981 191 HB2 ARG 27 HB2 ARG 27 1.726 -12.901 -5.054 192 HB3 ARG 27 HB3 ARG 27 0.584 -14.238 -5.060 193 HG2 ARG 27 HG2 ARG 27 0.031 -13.756 -7.392 194 HG3 ARG 27 HG3 ARG 27 1.182 -12.419 -7.383 195 HD2 ARG 27 HD2 ARG 27 1.922 -15.278 -6.789 196 HD3 ARG 27 HD3 ARG 27 2.039 -14.548 -8.389 197 HE ARG 27 HE ARG 27 3.828 -14.169 -6.184 198 HH11 ARG 27 HH11 ARG 27 2.543 -12.725 -9.080 199 HH12 ARG 27 HH12 ARG 27 3.915 -11.698 -9.333 200 HH21 ARG 27 HH21 ARG 27 5.640 -12.822 -6.507 201 HH22 ARG 27 HH22 ARG 27 5.677 -11.755 -7.869 202 H ASN 28 H ASN 28 -1.293 -11.557 -7.269 203 HA ASN 28 HA ASN 28 0.231 -9.065 -7.373 204 HB2 ASN 28 HB2 ASN 28 -1.004 -9.057 -9.730 205 HB3 ASN 28 HB3 ASN 28 0.452 -10.008 -9.452 206 HD21 ASN 28 HD21 ASN 28 0.371 -12.068 -9.976 207 HD22 ASN 28 HD22 ASN 28 -1.065 -13.004 -10.197 208 H CYS 29 H CYS 29 -3.115 -10.056 -8.126 209 HA CYS 29 HA CYS 29 -4.073 -7.364 -7.739 210 HB2 CYS 29 HB2 CYS 29 -4.935 -9.408 -9.288 211 HB3 CYS 29 HB3 CYS 29 -6.020 -9.586 -7.912 212 H ALA 30 H ALA 30 -3.251 -7.314 -5.473 213 HA ALA 30 HA ALA 30 -4.594 -8.868 -3.477 214 HB1 ALA 30 HB1 ALA 30 -3.387 -6.441 -2.470 215 HB2 ALA 30 HB2 ALA 30 -2.970 -8.125 -2.150 216 HB3 ALA 30 HB3 ALA 30 -2.301 -7.304 -3.560 217 H ILE 31 H ILE 31 -4.792 -5.487 -4.555 218 HA ILE 31 HA ILE 31 -6.661 -4.528 -2.769 219 HB ILE 31 HB ILE 31 -6.435 -3.851 -5.704 220 HG12 ILE 31 HG12 ILE 31 -5.200 -2.584 -3.249 221 HG13 ILE 31 HG13 ILE 31 -4.345 -3.502 -4.484 222 HG21 ILE 31 HG21 ILE 31 -7.751 -2.336 -3.454 223 HG22 ILE 31 HG22 ILE 31 -7.528 -1.741 -5.098 224 HG23 ILE 31 HG23 ILE 31 -8.571 -3.130 -4.798 225 HD11 ILE 31 HD11 ILE 31 -3.916 -1.530 -5.411 226 HD12 ILE 31 HD12 ILE 31 -5.601 -1.542 -5.935 227 HD13 ILE 31 HD13 ILE 31 -5.146 -0.712 -4.447 228 H THR 32 H THR 32 -7.118 -6.662 -5.483 229 HA THR 32 HA THR 32 -10.015 -6.434 -5.369 230 HB THR 32 HB THR 32 -8.246 -8.186 -7.087 231 HG1 THR 32 HG1 THR 32 -8.164 -5.932 -7.573 232 HG21 THR 32 HG21 THR 32 -10.071 -9.329 -7.653 233 HG22 THR 32 HG22 THR 32 -10.840 -7.833 -8.182 234 HG23 THR 32 HG23 THR 32 -11.030 -8.381 -6.517 235 H CYS 33 H CYS 33 -7.640 -9.085 -5.095 236 HA CYS 33 HA CYS 33 -9.409 -11.030 -4.166 237 HB2 CYS 33 HB2 CYS 33 -6.743 -10.965 -4.785 238 HB3 CYS 33 HB3 CYS 33 -6.696 -11.180 -3.039 239 H GLY 34 H GLY 34 -7.020 -9.280 -2.167 240 HA2 GLY 34 HA2 GLY 34 -7.912 -8.075 -0.188 241 HA3 GLY 34 HA3 GLY 34 -8.942 -9.475 0.071 242 H ALA 35 H ALA 35 -5.522 -9.449 -0.824 243 HA ALA 35 HA ALA 35 -4.963 -11.024 1.588 244 HB1 ALA 35 HB1 ALA 35 -3.547 -10.763 -1.047 245 HB2 ALA 35 HB2 ALA 35 -2.783 -11.508 0.358 246 HB3 ALA 35 HB3 ALA 35 -4.259 -12.201 -0.315 247 H CYS 36 H CYS 36 -2.900 -8.878 -0.355 248 HA CYS 36 HA CYS 36 -2.082 -7.555 2.148 249 HB2 CYS 36 HB2 CYS 36 -0.287 -8.858 1.056 250 HB3 CYS 36 HB3 CYS 36 -0.490 -7.894 -0.403 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.071 -0.414 -1.505 2 HA ALA 1 HA ALA 1 3.610 -1.911 -1.414 3 HB1 ALA 1 HB1 ALA 1 2.001 -0.779 0.726 4 HB2 ALA 1 HB2 ALA 1 2.332 -2.497 0.956 5 HB3 ALA 1 HB3 ALA 1 3.666 -1.362 0.747 6 H CYS 2 H CYS 2 0.085 -2.125 -1.124 7 HA CYS 2 HA CYS 2 0.271 -4.930 -2.001 8 HB2 CYS 2 HB2 CYS 2 -1.756 -5.394 -0.630 9 HB3 CYS 2 HB3 CYS 2 -0.352 -4.948 0.334 10 H LYS 3 H LYS 3 0.010 -2.759 -3.742 11 HA LYS 3 HA LYS 3 -2.750 -2.353 -4.418 12 HB2 LYS 3 HB2 LYS 3 -1.864 -1.166 -6.382 13 HB3 LYS 3 HB3 LYS 3 -1.101 -0.622 -4.894 14 HG2 LYS 3 HG2 LYS 3 0.740 -0.815 -6.203 15 HG3 LYS 3 HG3 LYS 3 0.680 -2.459 -5.562 16 HD2 LYS 3 HD2 LYS 3 -0.241 -3.314 -7.548 17 HD3 LYS 3 HD3 LYS 3 -0.684 -1.708 -8.132 18 HE2 LYS 3 HE2 LYS 3 1.873 -1.262 -8.055 19 HE3 LYS 3 HE3 LYS 3 2.005 -3.020 -8.042 20 HZ1 LYS 3 HZ1 LYS 3 0.190 -2.130 -10.044 21 HZ2 LYS 3 HZ2 LYS 3 1.566 -3.101 -10.201 22 HZ3 LYS 3 HZ3 LYS 3 1.710 -1.416 -10.248 23 H ASP 4 H ASP 4 -3.572 -2.855 -6.631 24 HA ASP 4 HA ASP 4 -3.092 -5.659 -7.200 25 HB2 ASP 4 HB2 ASP 4 -5.011 -5.304 -8.836 26 HB3 ASP 4 HB3 ASP 4 -5.388 -5.080 -7.131 27 H VAL 5 H VAL 5 -1.587 -6.257 -8.600 28 HA VAL 5 HA VAL 5 -0.484 -4.405 -10.512 29 HB VAL 5 HB VAL 5 0.107 -7.353 -10.230 30 HG11 VAL 5 HG11 VAL 5 0.942 -6.566 -12.298 31 HG12 VAL 5 HG12 VAL 5 1.534 -5.070 -11.573 32 HG13 VAL 5 HG13 VAL 5 2.319 -6.605 -11.198 33 HG21 VAL 5 HG21 VAL 5 2.161 -6.368 -8.983 34 HG22 VAL 5 HG22 VAL 5 1.114 -4.973 -8.723 35 HG23 VAL 5 HG23 VAL 5 0.635 -6.559 -8.120 36 H PHE 6 H PHE 6 -2.345 -7.425 -10.656 37 HA PHE 6 HA PHE 6 -2.452 -7.583 -13.472 38 HB2 PHE 6 HB2 PHE 6 -3.843 -8.882 -11.201 39 HB3 PHE 6 HB3 PHE 6 -4.681 -8.917 -12.749 40 HD1 PHE 6 HD1 PHE 6 -1.020 -9.010 -12.279 41 HD2 PHE 6 HD2 PHE 6 -4.534 -11.219 -13.220 42 HE1 PHE 6 HE1 PHE 6 0.370 -10.914 -12.984 43 HE2 PHE 6 HE2 PHE 6 -3.150 -13.127 -13.926 44 HZ PHE 6 HZ PHE 6 -0.695 -12.976 -13.807 45 HA PRO 7 HA PRO 7 -5.559 -4.728 -14.668 46 HB2 PRO 7 HB2 PRO 7 -6.945 -6.116 -16.545 47 HB3 PRO 7 HB3 PRO 7 -5.311 -5.500 -16.818 48 HG2 PRO 7 HG2 PRO 7 -6.194 -8.261 -16.068 49 HG3 PRO 7 HG3 PRO 7 -4.970 -7.760 -17.249 50 HD2 PRO 7 HD2 PRO 7 -4.328 -8.636 -14.769 51 HD3 PRO 7 HD3 PRO 7 -3.366 -7.418 -15.629 52 H ALA 8 H ALA 8 -7.480 -4.054 -13.913 53 HA ALA 8 HA ALA 8 -8.955 -5.437 -12.035 54 HB1 ALA 8 HB1 ALA 8 -10.704 -3.753 -12.367 55 HB2 ALA 8 HB2 ALA 8 -9.098 -3.026 -12.307 56 HB3 ALA 8 HB3 ALA 8 -9.914 -3.233 -13.856 57 H ALA 9 H ALA 9 -9.454 -5.245 -15.528 58 HA ALA 9 HA ALA 9 -11.933 -6.436 -15.761 59 HB1 ALA 9 HB1 ALA 9 -10.741 -7.432 -17.945 60 HB2 ALA 9 HB2 ALA 9 -11.244 -5.747 -17.801 61 HB3 ALA 9 HB3 ALA 9 -9.564 -6.193 -17.507 62 H THR 10 H THR 10 -8.758 -8.008 -15.528 63 HA THR 10 HA THR 10 -9.835 -10.656 -15.679 64 HB THR 10 HB THR 10 -7.111 -9.717 -14.761 65 HG1 THR 10 HG1 THR 10 -6.636 -10.661 -16.953 66 HG21 THR 10 HG21 THR 10 -8.347 -12.281 -14.584 67 HG22 THR 10 HG22 THR 10 -6.699 -11.820 -14.156 68 HG23 THR 10 HG23 THR 10 -7.068 -12.355 -15.795 69 H CYS 11 H CYS 11 -8.329 -8.797 -13.032 70 HA CYS 11 HA CYS 11 -8.553 -10.513 -10.950 71 HB2 CYS 11 HB2 CYS 11 -9.114 -7.545 -10.987 72 HB3 CYS 11 HB3 CYS 11 -8.987 -8.482 -9.502 73 H ARG 12 H ARG 12 -11.110 -8.124 -11.656 74 HA ARG 12 HA ARG 12 -13.041 -9.097 -9.952 75 HB2 ARG 12 HB2 ARG 12 -14.675 -7.950 -11.324 76 HB3 ARG 12 HB3 ARG 12 -13.213 -6.979 -11.219 77 HG2 ARG 12 HG2 ARG 12 -12.596 -8.151 -13.457 78 HG3 ARG 12 HG3 ARG 12 -14.328 -8.477 -13.544 79 HD2 ARG 12 HD2 ARG 12 -14.478 -5.905 -12.958 80 HD3 ARG 12 HD3 ARG 12 -12.865 -5.889 -13.670 81 HE ARG 12 HE ARG 12 -13.847 -6.071 -15.714 82 HH11 ARG 12 HH11 ARG 12 -16.061 -7.292 -13.321 83 HH12 ARG 12 HH12 ARG 12 -17.340 -7.569 -14.456 84 HH21 ARG 12 HH21 ARG 12 -15.523 -6.432 -17.219 85 HH22 ARG 12 HH22 ARG 12 -17.032 -7.080 -16.673 86 H HIS 13 H HIS 13 -12.231 -10.186 -13.205 87 HA HIS 13 HA HIS 13 -14.407 -11.901 -13.622 88 HB2 HIS 13 HB2 HIS 13 -12.418 -11.125 -15.193 89 HB3 HIS 13 HB3 HIS 13 -11.712 -12.651 -14.668 90 HD1 HIS 13 HD1 HIS 13 -14.404 -11.227 -16.799 91 HD2 HIS 13 HD2 HIS 13 -13.054 -14.963 -15.583 92 HE1 HIS 13 HE1 HIS 13 -15.547 -12.880 -18.311 93 H ALA 14 H ALA 14 -11.379 -12.357 -11.903 94 HA ALA 14 HA ALA 14 -11.656 -15.174 -11.556 95 HB1 ALA 14 HB1 ALA 14 -9.671 -15.089 -10.447 96 HB2 ALA 14 HB2 ALA 14 -9.571 -13.552 -11.308 97 HB3 ALA 14 HB3 ALA 14 -10.070 -13.585 -9.617 98 H LYS 15 H LYS 15 -12.486 -12.346 -9.607 99 HA LYS 15 HA LYS 15 -13.301 -13.808 -7.310 100 HB2 LYS 15 HB2 LYS 15 -14.324 -11.078 -8.059 101 HB3 LYS 15 HB3 LYS 15 -14.080 -11.748 -6.452 102 HG2 LYS 15 HG2 LYS 15 -11.920 -10.985 -8.407 103 HG3 LYS 15 HG3 LYS 15 -12.388 -10.092 -6.958 104 HD2 LYS 15 HD2 LYS 15 -11.535 -11.738 -5.529 105 HD3 LYS 15 HD3 LYS 15 -11.496 -12.954 -6.808 106 HE2 LYS 15 HE2 LYS 15 -9.860 -10.983 -7.795 107 HE3 LYS 15 HE3 LYS 15 -9.517 -10.936 -6.066 108 HZ1 LYS 15 HZ1 LYS 15 -9.140 -13.160 -7.965 109 HZ2 LYS 15 HZ2 LYS 15 -9.312 -13.471 -6.311 110 HZ3 LYS 15 HZ3 LYS 15 -8.038 -12.503 -6.861 111 H SER 16 H SER 16 -15.123 -12.268 -9.952 112 HA SER 16 HA SER 16 -17.692 -12.723 -9.243 113 HB2 SER 16 HB2 SER 16 -17.571 -11.712 -11.304 114 HB3 SER 16 HB3 SER 16 -16.288 -12.780 -11.872 115 HG SER 16 HG SER 16 -18.288 -13.201 -12.908 116 H VAL 17 H VAL 17 -15.447 -15.130 -10.524 117 HA VAL 17 HA VAL 17 -17.463 -17.224 -10.326 118 HB VAL 17 HB VAL 17 -15.745 -18.704 -11.274 119 HG11 VAL 17 HG11 VAL 17 -15.500 -17.516 -13.475 120 HG12 VAL 17 HG12 VAL 17 -17.147 -17.599 -12.846 121 HG13 VAL 17 HG13 VAL 17 -16.224 -16.102 -12.710 122 HG21 VAL 17 HG21 VAL 17 -13.610 -17.733 -12.054 123 HG22 VAL 17 HG22 VAL 17 -14.007 -16.238 -11.208 124 HG23 VAL 17 HG23 VAL 17 -13.761 -17.728 -10.296 125 H GLY 18 H GLY 18 -14.515 -16.155 -8.738 126 HA2 GLY 18 HA2 GLY 18 -14.192 -16.547 -6.395 127 HA3 GLY 18 HA3 GLY 18 -15.105 -18.039 -6.556 128 H ASN 19 H ASN 19 -12.194 -16.584 -8.023 129 HA ASN 19 HA ASN 19 -10.865 -19.193 -7.693 130 HB2 ASN 19 HB2 ASN 19 -11.155 -17.541 -9.988 131 HB3 ASN 19 HB3 ASN 19 -9.453 -17.518 -9.533 132 HD21 ASN 19 HD21 ASN 19 -11.537 -18.993 -11.478 133 HD22 ASN 19 HD22 ASN 19 -10.826 -20.564 -11.584 134 H CYS 20 H CYS 20 -11.071 -16.366 -6.200 135 HA CYS 20 HA CYS 20 -8.549 -15.269 -5.967 136 HB2 CYS 20 HB2 CYS 20 -10.631 -14.364 -4.933 137 HB3 CYS 20 HB3 CYS 20 -10.529 -15.624 -3.708 138 H SER 21 H SER 21 -9.789 -18.240 -4.633 139 HA SER 21 HA SER 21 -7.986 -18.740 -2.593 140 HB2 SER 21 HB2 SER 21 -9.814 -20.238 -2.857 141 HB3 SER 21 HB3 SER 21 -9.365 -20.609 -4.521 142 HG SER 21 HG SER 21 -8.107 -22.113 -3.790 143 H SER 22 H SER 22 -7.583 -19.063 -6.064 144 HA SER 22 HA SER 22 -5.219 -20.561 -6.100 145 HB2 SER 22 HB2 SER 22 -5.784 -18.395 -8.110 146 HB3 SER 22 HB3 SER 22 -5.027 -19.967 -8.364 147 HG SER 22 HG SER 22 -6.953 -20.914 -8.392 148 H GLU 23 H GLU 23 -3.211 -19.336 -7.293 149 HA GLU 23 HA GLU 23 -2.458 -17.142 -5.475 150 HB2 GLU 23 HB2 GLU 23 -1.308 -19.427 -5.188 151 HB3 GLU 23 HB3 GLU 23 -0.488 -19.058 -6.699 152 HG2 GLU 23 HG2 GLU 23 1.027 -18.342 -5.124 153 HG3 GLU 23 HG3 GLU 23 0.174 -16.853 -5.529 154 H LYS 24 H LYS 24 -2.346 -18.432 -8.723 155 HA LYS 24 HA LYS 24 -0.593 -16.704 -9.969 156 HB2 LYS 24 HB2 LYS 24 -1.585 -18.580 -11.139 157 HB3 LYS 24 HB3 LYS 24 -3.183 -17.855 -11.019 158 HG2 LYS 24 HG2 LYS 24 -2.638 -16.158 -12.561 159 HG3 LYS 24 HG3 LYS 24 -0.915 -16.531 -12.477 160 HD2 LYS 24 HD2 LYS 24 -1.390 -18.744 -13.482 161 HD3 LYS 24 HD3 LYS 24 -3.083 -18.273 -13.649 162 HE2 LYS 24 HE2 LYS 24 -2.342 -16.345 -15.037 163 HE3 LYS 24 HE3 LYS 24 -0.697 -16.975 -14.959 164 HZ1 LYS 24 HZ1 LYS 24 -2.591 -18.950 -15.796 165 HZ2 LYS 24 HZ2 LYS 24 -1.141 -18.471 -16.524 166 HZ3 LYS 24 HZ3 LYS 24 -2.566 -17.613 -16.832 167 H TYR 25 H TYR 25 -3.787 -16.081 -8.756 168 HA TYR 25 HA TYR 25 -3.542 -13.293 -9.670 169 HB2 TYR 25 HB2 TYR 25 -6.295 -13.952 -9.283 170 HB3 TYR 25 HB3 TYR 25 -5.488 -13.425 -10.756 171 HD1 TYR 25 HD1 TYR 25 -4.448 -15.166 -12.259 172 HD2 TYR 25 HD2 TYR 25 -7.030 -16.179 -9.032 173 HE1 TYR 25 HE1 TYR 25 -4.824 -17.379 -13.263 174 HE2 TYR 25 HE2 TYR 25 -7.412 -18.396 -10.026 175 HH TYR 25 HH TYR 25 -5.511 -19.699 -12.400 176 H LYS 26 H LYS 26 -2.608 -14.265 -7.208 177 HA LYS 26 HA LYS 26 -4.493 -12.968 -5.352 178 HB2 LYS 26 HB2 LYS 26 -4.072 -15.554 -5.172 179 HB3 LYS 26 HB3 LYS 26 -2.571 -15.057 -4.401 180 HG2 LYS 26 HG2 LYS 26 -4.403 -13.531 -3.082 181 HG3 LYS 26 HG3 LYS 26 -5.311 -15.014 -3.390 182 HD2 LYS 26 HD2 LYS 26 -2.907 -15.999 -2.564 183 HD3 LYS 26 HD3 LYS 26 -3.038 -14.526 -1.600 184 HE2 LYS 26 HE2 LYS 26 -5.566 -15.691 -1.482 185 HE3 LYS 26 HE3 LYS 26 -4.441 -17.040 -1.334 186 HZ1 LYS 26 HZ1 LYS 26 -5.116 -15.908 0.794 187 HZ2 LYS 26 HZ2 LYS 26 -4.192 -14.582 0.297 188 HZ3 LYS 26 HZ3 LYS 26 -3.451 -16.081 0.550 189 H ARG 27 H ARG 27 -1.151 -13.562 -6.254 190 HA ARG 27 HA ARG 27 -0.035 -11.912 -4.198 191 HB2 ARG 27 HB2 ARG 27 2.068 -12.140 -5.496 192 HB3 ARG 27 HB3 ARG 27 1.304 -13.685 -5.147 193 HG2 ARG 27 HG2 ARG 27 0.224 -13.179 -7.551 194 HG3 ARG 27 HG3 ARG 27 1.763 -12.334 -7.723 195 HD2 ARG 27 HD2 ARG 27 1.563 -15.168 -6.736 196 HD3 ARG 27 HD3 ARG 27 1.714 -14.765 -8.446 197 HE ARG 27 HE ARG 27 3.786 -14.713 -6.477 198 HH11 ARG 27 HH11 ARG 27 2.682 -13.278 -9.451 199 HH12 ARG 27 HH12 ARG 27 4.267 -12.803 -9.963 200 HH21 ARG 27 HH21 ARG 27 5.878 -14.092 -7.140 201 HH22 ARG 27 HH22 ARG 27 6.085 -13.267 -8.647 202 H ASN 28 H ASN 28 -0.720 -11.488 -7.652 203 HA ASN 28 HA ASN 28 0.305 -8.840 -7.793 204 HB2 ASN 28 HB2 ASN 28 -1.214 -8.821 -9.921 205 HB3 ASN 28 HB3 ASN 28 0.205 -9.864 -9.875 206 HD21 ASN 28 HD21 ASN 28 -0.042 -12.034 -9.956 207 HD22 ASN 28 HD22 ASN 28 -1.567 -12.827 -10.135 208 H CYS 29 H CYS 29 -3.065 -10.008 -7.959 209 HA CYS 29 HA CYS 29 -4.086 -7.376 -7.383 210 HB2 CYS 29 HB2 CYS 29 -5.096 -9.719 -8.570 211 HB3 CYS 29 HB3 CYS 29 -6.063 -9.460 -7.122 212 H ALA 30 H ALA 30 -3.063 -7.061 -5.313 213 HA ALA 30 HA ALA 30 -3.827 -8.745 -3.098 214 HB1 ALA 30 HB1 ALA 30 -2.727 -6.446 -2.027 215 HB2 ALA 30 HB2 ALA 30 -1.868 -7.940 -2.405 216 HB3 ALA 30 HB3 ALA 30 -1.907 -6.624 -3.578 217 H ILE 31 H ILE 31 -4.790 -5.658 -4.453 218 HA ILE 31 HA ILE 31 -6.396 -4.846 -2.239 219 HB ILE 31 HB ILE 31 -6.475 -3.947 -5.122 220 HG12 ILE 31 HG12 ILE 31 -4.328 -3.539 -3.943 221 HG13 ILE 31 HG13 ILE 31 -5.163 -2.049 -4.366 222 HG21 ILE 31 HG21 ILE 31 -7.756 -2.772 -2.660 223 HG22 ILE 31 HG22 ILE 31 -7.653 -1.962 -4.222 224 HG23 ILE 31 HG23 ILE 31 -8.579 -3.454 -4.062 225 HD11 ILE 31 HD11 ILE 31 -4.143 -2.716 -1.897 226 HD12 ILE 31 HD12 ILE 31 -5.279 -1.412 -2.245 227 HD13 ILE 31 HD13 ILE 31 -5.877 -2.987 -1.722 228 H THR 32 H THR 32 -6.929 -6.788 -5.088 229 HA THR 32 HA THR 32 -9.811 -6.831 -4.697 230 HB THR 32 HB THR 32 -8.171 -8.401 -6.693 231 HG1 THR 32 HG1 THR 32 -9.520 -5.908 -7.014 232 HG21 THR 32 HG21 THR 32 -10.656 -8.974 -6.036 233 HG22 THR 32 HG22 THR 32 -10.142 -8.989 -7.723 234 HG23 THR 32 HG23 THR 32 -11.018 -7.600 -7.080 235 H CYS 33 H CYS 33 -7.051 -9.041 -4.473 236 HA CYS 33 HA CYS 33 -8.761 -11.151 -3.416 237 HB2 CYS 33 HB2 CYS 33 -6.507 -11.202 -4.996 238 HB3 CYS 33 HB3 CYS 33 -5.869 -11.628 -3.411 239 H GLY 34 H GLY 34 -5.646 -9.720 -2.408 240 HA2 GLY 34 HA2 GLY 34 -5.623 -10.645 0.195 241 HA3 GLY 34 HA3 GLY 34 -4.856 -9.153 -0.327 242 H ALA 35 H ALA 35 -7.411 -7.950 -1.140 243 HA ALA 35 HA ALA 35 -9.060 -6.639 -0.276 244 HB1 ALA 35 HB1 ALA 35 -10.536 -7.611 1.149 245 HB2 ALA 35 HB2 ALA 35 -9.606 -9.047 0.718 246 HB3 ALA 35 HB3 ALA 35 -9.274 -8.203 2.230 247 H CYS 36 H CYS 36 -6.505 -5.747 0.119 248 HA CYS 36 HA CYS 36 -5.652 -5.178 2.680 249 HB2 CYS 36 HB2 CYS 36 -5.043 -4.285 0.051 250 HB3 CYS 36 HB3 CYS 36 -5.226 -2.857 1.064 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.692 -4.468 -0.566 2 HA ALA 1 HA ALA 1 2.260 -2.360 0.187 3 HB1 ALA 1 HB1 ALA 1 4.027 -2.070 -1.677 4 HB2 ALA 1 HB2 ALA 1 2.702 -1.361 -2.600 5 HB3 ALA 1 HB3 ALA 1 3.190 -0.644 -1.064 6 H CYS 2 H CYS 2 -0.018 -3.872 -0.743 7 HA CYS 2 HA CYS 2 -2.227 -3.631 -1.239 8 HB2 CYS 2 HB2 CYS 2 -1.581 -0.883 -0.168 9 HB3 CYS 2 HB3 CYS 2 -3.218 -1.389 -0.573 10 H LYS 3 H LYS 3 -1.721 -3.934 -3.510 11 HA LYS 3 HA LYS 3 -2.901 -1.932 -5.138 12 HB2 LYS 3 HB2 LYS 3 -0.949 -1.451 -6.573 13 HB3 LYS 3 HB3 LYS 3 -0.738 -0.850 -4.934 14 HG2 LYS 3 HG2 LYS 3 1.284 -1.805 -5.138 15 HG3 LYS 3 HG3 LYS 3 0.406 -3.269 -4.687 16 HD2 LYS 3 HD2 LYS 3 0.021 -3.591 -7.196 17 HD3 LYS 3 HD3 LYS 3 1.271 -2.365 -7.420 18 HE2 LYS 3 HE2 LYS 3 2.480 -4.338 -7.510 19 HE3 LYS 3 HE3 LYS 3 2.669 -3.851 -5.826 20 HZ1 LYS 3 HZ1 LYS 3 1.531 -5.620 -5.109 21 HZ2 LYS 3 HZ2 LYS 3 1.851 -6.279 -6.634 22 HZ3 LYS 3 HZ3 LYS 3 0.369 -5.519 -6.334 23 H ASP 4 H ASP 4 -3.701 -2.822 -6.964 24 HA ASP 4 HA ASP 4 -3.146 -5.651 -7.410 25 HB2 ASP 4 HB2 ASP 4 -5.120 -5.431 -9.012 26 HB3 ASP 4 HB3 ASP 4 -5.466 -5.202 -7.300 27 H VAL 5 H VAL 5 -1.647 -6.208 -8.833 28 HA VAL 5 HA VAL 5 -0.689 -4.354 -10.820 29 HB VAL 5 HB VAL 5 0.058 -7.259 -10.467 30 HG11 VAL 5 HG11 VAL 5 0.999 -6.771 -12.474 31 HG12 VAL 5 HG12 VAL 5 1.050 -5.036 -12.153 32 HG13 VAL 5 HG13 VAL 5 2.258 -6.102 -11.435 33 HG21 VAL 5 HG21 VAL 5 1.269 -4.785 -9.239 34 HG22 VAL 5 HG22 VAL 5 0.445 -6.091 -8.388 35 HG23 VAL 5 HG23 VAL 5 1.989 -6.394 -9.184 36 H PHE 6 H PHE 6 -2.343 -7.501 -10.860 37 HA PHE 6 HA PHE 6 -2.509 -7.803 -13.631 38 HB2 PHE 6 HB2 PHE 6 -3.936 -8.924 -11.285 39 HB3 PHE 6 HB3 PHE 6 -4.751 -9.068 -12.839 40 HD1 PHE 6 HD1 PHE 6 -1.097 -9.122 -12.394 41 HD2 PHE 6 HD2 PHE 6 -4.615 -11.425 -13.051 42 HE1 PHE 6 HE1 PHE 6 0.291 -11.081 -12.935 43 HE2 PHE 6 HE2 PHE 6 -3.234 -13.388 -13.591 44 HZ PHE 6 HZ PHE 6 -0.777 -13.218 -13.533 45 HA PRO 7 HA PRO 7 -5.589 -5.023 -15.051 46 HB2 PRO 7 HB2 PRO 7 -6.990 -6.537 -16.817 47 HB3 PRO 7 HB3 PRO 7 -5.348 -5.962 -17.134 48 HG2 PRO 7 HG2 PRO 7 -6.263 -8.646 -16.174 49 HG3 PRO 7 HG3 PRO 7 -5.033 -8.252 -17.389 50 HD2 PRO 7 HD2 PRO 7 -4.403 -8.941 -14.847 51 HD3 PRO 7 HD3 PRO 7 -3.426 -7.804 -15.798 52 H ALA 8 H ALA 8 -7.522 -4.274 -14.390 53 HA ALA 8 HA ALA 8 -9.011 -5.508 -12.405 54 HB1 ALA 8 HB1 ALA 8 -10.724 -3.811 -12.841 55 HB2 ALA 8 HB2 ALA 8 -9.103 -3.115 -12.825 56 HB3 ALA 8 HB3 ALA 8 -9.925 -3.400 -14.359 57 H ALA 9 H ALA 9 -9.178 -5.882 -15.848 58 HA ALA 9 HA ALA 9 -11.799 -6.968 -15.997 59 HB1 ALA 9 HB1 ALA 9 -10.771 -7.967 -18.193 60 HB2 ALA 9 HB2 ALA 9 -11.080 -6.236 -18.048 61 HB3 ALA 9 HB3 ALA 9 -9.446 -6.862 -17.822 62 H THR 10 H THR 10 -8.606 -8.350 -15.481 63 HA THR 10 HA THR 10 -9.638 -11.065 -15.549 64 HB THR 10 HB THR 10 -6.857 -10.069 -14.899 65 HG1 THR 10 HG1 THR 10 -7.840 -11.276 -17.287 66 HG21 THR 10 HG21 THR 10 -6.612 -12.151 -14.087 67 HG22 THR 10 HG22 THR 10 -6.622 -12.648 -15.780 68 HG23 THR 10 HG23 THR 10 -8.107 -12.717 -14.831 69 H CYS 11 H CYS 11 -9.057 -8.589 -13.251 70 HA CYS 11 HA CYS 11 -8.904 -10.416 -10.995 71 HB2 CYS 11 HB2 CYS 11 -8.762 -7.425 -11.285 72 HB3 CYS 11 HB3 CYS 11 -8.951 -8.177 -9.705 73 H ARG 12 H ARG 12 -11.078 -7.834 -12.131 74 HA ARG 12 HA ARG 12 -13.040 -8.038 -10.195 75 HB2 ARG 12 HB2 ARG 12 -14.474 -6.882 -11.670 76 HB3 ARG 12 HB3 ARG 12 -12.852 -6.346 -12.089 77 HG2 ARG 12 HG2 ARG 12 -13.627 -6.730 -14.177 78 HG3 ARG 12 HG3 ARG 12 -13.063 -8.362 -13.812 79 HD2 ARG 12 HD2 ARG 12 -15.191 -9.177 -13.515 80 HD3 ARG 12 HD3 ARG 12 -15.846 -7.602 -13.072 81 HE ARG 12 HE ARG 12 -15.050 -7.462 -15.736 82 HH11 ARG 12 HH11 ARG 12 -17.389 -9.155 -13.791 83 HH12 ARG 12 HH12 ARG 12 -18.538 -9.314 -15.078 84 HH21 ARG 12 HH21 ARG 12 -16.554 -7.665 -17.438 85 HH22 ARG 12 HH22 ARG 12 -18.061 -8.466 -17.153 86 H HIS 13 H HIS 13 -12.437 -10.082 -12.971 87 HA HIS 13 HA HIS 13 -14.923 -11.516 -12.738 88 HB2 HIS 13 HB2 HIS 13 -13.493 -11.171 -14.864 89 HB3 HIS 13 HB3 HIS 13 -12.507 -12.492 -14.243 90 HD1 HIS 13 HD1 HIS 13 -16.289 -12.089 -14.481 91 HD2 HIS 13 HD2 HIS 13 -13.255 -14.690 -15.616 92 HE1 HIS 13 HE1 HIS 13 -17.445 -14.024 -15.598 93 H ALA 14 H ALA 14 -11.559 -12.035 -11.808 94 HA ALA 14 HA ALA 14 -11.626 -14.679 -11.027 95 HB1 ALA 14 HB1 ALA 14 -9.662 -14.288 -9.891 96 HB2 ALA 14 HB2 ALA 14 -9.696 -12.926 -11.011 97 HB3 ALA 14 HB3 ALA 14 -10.177 -12.697 -9.330 98 H LYS 15 H LYS 15 -12.883 -11.857 -9.366 99 HA LYS 15 HA LYS 15 -13.452 -13.287 -6.930 100 HB2 LYS 15 HB2 LYS 15 -14.613 -10.624 -7.719 101 HB3 LYS 15 HB3 LYS 15 -14.314 -11.247 -6.101 102 HG2 LYS 15 HG2 LYS 15 -12.231 -10.414 -8.109 103 HG3 LYS 15 HG3 LYS 15 -12.703 -9.536 -6.653 104 HD2 LYS 15 HD2 LYS 15 -11.423 -12.268 -6.753 105 HD3 LYS 15 HD3 LYS 15 -10.630 -10.761 -6.286 106 HE2 LYS 15 HE2 LYS 15 -12.845 -12.209 -4.851 107 HE3 LYS 15 HE3 LYS 15 -11.203 -11.911 -4.283 108 HZ1 LYS 15 HZ1 LYS 15 -13.381 -9.933 -4.640 109 HZ2 LYS 15 HZ2 LYS 15 -11.769 -9.487 -4.392 110 HZ3 LYS 15 HZ3 LYS 15 -12.596 -10.362 -3.204 111 H SER 16 H SER 16 -15.124 -12.486 -9.877 112 HA SER 16 HA SER 16 -17.687 -13.365 -8.792 113 HB2 SER 16 HB2 SER 16 -17.244 -11.349 -10.441 114 HB3 SER 16 HB3 SER 16 -17.319 -12.616 -11.665 115 HG SER 16 HG SER 16 -19.389 -12.129 -11.485 116 H VAL 17 H VAL 17 -15.429 -15.218 -9.163 117 HA VAL 17 HA VAL 17 -16.885 -17.264 -10.623 118 HB VAL 17 HB VAL 17 -14.925 -17.954 -11.945 119 HG11 VAL 17 HG11 VAL 17 -15.178 -16.364 -13.680 120 HG12 VAL 17 HG12 VAL 17 -16.716 -16.398 -12.816 121 HG13 VAL 17 HG13 VAL 17 -15.579 -15.078 -12.542 122 HG21 VAL 17 HG21 VAL 17 -13.704 -15.617 -10.564 123 HG22 VAL 17 HG22 VAL 17 -13.010 -17.193 -10.945 124 HG23 VAL 17 HG23 VAL 17 -13.196 -15.982 -12.213 125 H GLY 18 H GLY 18 -14.057 -16.368 -8.704 126 HA2 GLY 18 HA2 GLY 18 -13.692 -17.526 -6.601 127 HA3 GLY 18 HA3 GLY 18 -14.247 -18.999 -7.382 128 H ASN 19 H ASN 19 -12.052 -16.743 -8.913 129 HA ASN 19 HA ASN 19 -10.069 -18.855 -9.127 130 HB2 ASN 19 HB2 ASN 19 -10.842 -16.626 -10.719 131 HB3 ASN 19 HB3 ASN 19 -9.152 -16.404 -10.275 132 HD21 ASN 19 HD21 ASN 19 -10.351 -16.998 -12.865 133 HD22 ASN 19 HD22 ASN 19 -9.616 -18.466 -13.406 134 H CYS 20 H CYS 20 -10.621 -15.952 -7.338 135 HA CYS 20 HA CYS 20 -8.101 -15.098 -6.656 136 HB2 CYS 20 HB2 CYS 20 -10.086 -13.922 -5.913 137 HB3 CYS 20 HB3 CYS 20 -10.557 -15.283 -4.900 138 H SER 21 H SER 21 -9.846 -17.904 -5.474 139 HA SER 21 HA SER 21 -8.385 -18.585 -3.242 140 HB2 SER 21 HB2 SER 21 -10.149 -20.027 -3.550 141 HB3 SER 21 HB3 SER 21 -9.890 -20.143 -5.290 142 HG SER 21 HG SER 21 -9.221 -22.066 -4.519 143 H SER 22 H SER 22 -7.535 -18.966 -6.624 144 HA SER 22 HA SER 22 -5.331 -20.682 -6.305 145 HB2 SER 22 HB2 SER 22 -5.707 -18.559 -8.429 146 HB3 SER 22 HB3 SER 22 -4.668 -19.980 -8.535 147 HG SER 22 HG SER 22 -6.520 -21.276 -8.474 148 H GLU 23 H GLU 23 -3.145 -19.510 -7.420 149 HA GLU 23 HA GLU 23 -2.405 -17.448 -5.447 150 HB2 GLU 23 HB2 GLU 23 -1.312 -19.609 -5.006 151 HB3 GLU 23 HB3 GLU 23 -0.646 -19.603 -6.633 152 HG2 GLU 23 HG2 GLU 23 0.879 -17.953 -6.152 153 HG3 GLU 23 HG3 GLU 23 -0.072 -17.317 -4.811 154 H LYS 24 H LYS 24 -2.184 -18.553 -8.755 155 HA LYS 24 HA LYS 24 -0.288 -16.896 -9.841 156 HB2 LYS 24 HB2 LYS 24 -1.398 -18.565 -11.182 157 HB3 LYS 24 HB3 LYS 24 -2.944 -17.747 -11.003 158 HG2 LYS 24 HG2 LYS 24 -2.241 -15.938 -12.371 159 HG3 LYS 24 HG3 LYS 24 -0.569 -16.505 -12.366 160 HD2 LYS 24 HD2 LYS 24 -1.008 -18.222 -13.840 161 HD3 LYS 24 HD3 LYS 24 -2.717 -18.301 -13.404 162 HE2 LYS 24 HE2 LYS 24 -3.266 -16.473 -14.727 163 HE3 LYS 24 HE3 LYS 24 -1.608 -15.873 -14.759 164 HZ1 LYS 24 HZ1 LYS 24 -1.587 -18.399 -15.915 165 HZ2 LYS 24 HZ2 LYS 24 -1.343 -16.911 -16.680 166 HZ3 LYS 24 HZ3 LYS 24 -2.897 -17.574 -16.596 167 H TYR 25 H TYR 25 -3.468 -16.066 -8.687 168 HA TYR 25 HA TYR 25 -2.945 -13.257 -9.409 169 HB2 TYR 25 HB2 TYR 25 -5.744 -13.686 -9.019 170 HB3 TYR 25 HB3 TYR 25 -4.907 -13.150 -10.472 171 HD1 TYR 25 HD1 TYR 25 -3.950 -14.947 -12.021 172 HD2 TYR 25 HD2 TYR 25 -6.767 -15.790 -8.945 173 HE1 TYR 25 HE1 TYR 25 -4.533 -17.058 -13.141 174 HE2 TYR 25 HE2 TYR 25 -7.357 -17.903 -10.056 175 HH TYR 25 HH TYR 25 -5.757 -19.496 -11.949 176 H LYS 26 H LYS 26 -1.955 -14.139 -7.072 177 HA LYS 26 HA LYS 26 -3.841 -13.078 -5.070 178 HB2 LYS 26 HB2 LYS 26 -2.260 -15.528 -5.084 179 HB3 LYS 26 HB3 LYS 26 -1.970 -14.552 -3.650 180 HG2 LYS 26 HG2 LYS 26 -4.781 -15.038 -4.480 181 HG3 LYS 26 HG3 LYS 26 -3.881 -16.356 -3.726 182 HD2 LYS 26 HD2 LYS 26 -3.353 -14.072 -2.182 183 HD3 LYS 26 HD3 LYS 26 -5.086 -14.044 -2.515 184 HE2 LYS 26 HE2 LYS 26 -5.353 -16.251 -1.614 185 HE3 LYS 26 HE3 LYS 26 -3.609 -16.446 -1.450 186 HZ1 LYS 26 HZ1 LYS 26 -3.703 -15.521 0.543 187 HZ2 LYS 26 HZ2 LYS 26 -5.387 -15.422 0.423 188 HZ3 LYS 26 HZ3 LYS 26 -4.426 -14.125 -0.081 189 H ARG 27 H ARG 27 -0.514 -13.238 -6.194 190 HA ARG 27 HA ARG 27 0.455 -11.413 -4.185 191 HB2 ARG 27 HB2 ARG 27 2.573 -11.514 -5.445 192 HB3 ARG 27 HB3 ARG 27 1.949 -13.114 -5.066 193 HG2 ARG 27 HG2 ARG 27 1.028 -13.244 -7.364 194 HG3 ARG 27 HG3 ARG 27 1.809 -11.702 -7.719 195 HD2 ARG 27 HD2 ARG 27 3.193 -13.522 -8.507 196 HD3 ARG 27 HD3 ARG 27 3.987 -12.705 -7.162 197 HE ARG 27 HE ARG 27 2.447 -14.949 -6.304 198 HH11 ARG 27 HH11 ARG 27 5.486 -13.998 -7.710 199 HH12 ARG 27 HH12 ARG 27 6.337 -15.394 -7.137 200 HH21 ARG 27 HH21 ARG 27 3.556 -16.791 -5.543 201 HH22 ARG 27 HH22 ARG 27 5.238 -16.982 -5.905 202 H ASN 28 H ASN 28 -0.352 -11.265 -7.628 203 HA ASN 28 HA ASN 28 0.434 -8.553 -7.969 204 HB2 ASN 28 HB2 ASN 28 -1.156 -8.804 -10.034 205 HB3 ASN 28 HB3 ASN 28 0.357 -9.704 -9.982 206 HD21 ASN 28 HD21 ASN 28 0.319 -11.895 -9.881 207 HD22 ASN 28 HD22 ASN 28 -1.128 -12.834 -9.969 208 H CYS 29 H CYS 29 -2.833 -9.992 -7.999 209 HA CYS 29 HA CYS 29 -4.042 -7.425 -7.488 210 HB2 CYS 29 HB2 CYS 29 -4.891 -9.904 -8.558 211 HB3 CYS 29 HB3 CYS 29 -5.878 -9.603 -7.132 212 H ALA 30 H ALA 30 -2.996 -6.990 -5.444 213 HA ALA 30 HA ALA 30 -3.658 -8.653 -3.172 214 HB1 ALA 30 HB1 ALA 30 -2.052 -6.160 -3.559 215 HB2 ALA 30 HB2 ALA 30 -2.525 -6.675 -1.940 216 HB3 ALA 30 HB3 ALA 30 -1.544 -7.736 -2.951 217 H ILE 31 H ILE 31 -4.771 -5.678 -4.631 218 HA ILE 31 HA ILE 31 -6.365 -4.856 -2.396 219 HB ILE 31 HB ILE 31 -6.527 -3.981 -5.283 220 HG12 ILE 31 HG12 ILE 31 -4.321 -3.560 -4.265 221 HG13 ILE 31 HG13 ILE 31 -5.189 -2.061 -4.577 222 HG21 ILE 31 HG21 ILE 31 -8.553 -3.349 -4.309 223 HG22 ILE 31 HG22 ILE 31 -7.797 -2.967 -2.763 224 HG23 ILE 31 HG23 ILE 31 -7.541 -1.913 -4.154 225 HD11 ILE 31 HD11 ILE 31 -4.124 -3.062 -2.123 226 HD12 ILE 31 HD12 ILE 31 -4.836 -1.486 -2.474 227 HD13 ILE 31 HD13 ILE 31 -5.865 -2.826 -1.967 228 H THR 32 H THR 32 -6.860 -6.806 -5.253 229 HA THR 32 HA THR 32 -9.736 -6.934 -4.834 230 HB THR 32 HB THR 32 -8.150 -8.526 -6.846 231 HG1 THR 32 HG1 THR 32 -8.901 -5.819 -6.840 232 HG21 THR 32 HG21 THR 32 -10.136 -9.068 -7.784 233 HG22 THR 32 HG22 THR 32 -10.853 -7.497 -7.427 234 HG23 THR 32 HG23 THR 32 -10.758 -8.730 -6.170 235 H CYS 33 H CYS 33 -6.939 -9.122 -4.764 236 HA CYS 33 HA CYS 33 -8.578 -11.255 -3.651 237 HB2 CYS 33 HB2 CYS 33 -6.495 -11.340 -5.370 238 HB3 CYS 33 HB3 CYS 33 -5.643 -11.595 -3.850 239 H GLY 34 H GLY 34 -5.487 -9.702 -2.753 240 HA2 GLY 34 HA2 GLY 34 -5.264 -10.693 -0.188 241 HA3 GLY 34 HA3 GLY 34 -4.636 -9.132 -0.696 242 H ALA 35 H ALA 35 -7.284 -8.067 -1.333 243 HA ALA 35 HA ALA 35 -8.970 -6.901 -0.343 244 HB1 ALA 35 HB1 ALA 35 -9.527 -9.280 0.429 245 HB2 ALA 35 HB2 ALA 35 -8.862 -8.787 1.987 246 HB3 ALA 35 HB3 ALA 35 -10.252 -7.936 1.312 247 H CYS 36 H CYS 36 -6.717 -5.621 -0.082 248 HA CYS 36 HA CYS 36 -5.791 -5.182 2.561 249 HB2 CYS 36 HB2 CYS 36 -4.353 -4.634 0.716 250 HB3 CYS 36 HB3 CYS 36 -5.549 -3.532 0.042 Start of MODEL 11 1 H1 ALA 1 H ALA 1 3.187 -1.324 1.858 2 HA ALA 1 HA ALA 1 0.419 -0.538 1.393 3 HB1 ALA 1 HB1 ALA 1 2.139 1.062 0.804 4 HB2 ALA 1 HB2 ALA 1 2.894 -0.112 -0.275 5 HB3 ALA 1 HB3 ALA 1 1.292 0.523 -0.646 6 H CYS 2 H CYS 2 -0.482 -0.996 -0.832 7 HA CYS 2 HA CYS 2 0.419 -3.388 -2.153 8 HB2 CYS 2 HB2 CYS 2 -1.819 -4.550 -1.794 9 HB3 CYS 2 HB3 CYS 2 -0.718 -4.536 -0.420 10 H LYS 3 H LYS 3 -0.370 -3.560 -4.211 11 HA LYS 3 HA LYS 3 -2.629 -1.924 -5.037 12 HB2 LYS 3 HB2 LYS 3 -1.449 -0.716 -6.728 13 HB3 LYS 3 HB3 LYS 3 -0.582 -0.482 -5.216 14 HG2 LYS 3 HG2 LYS 3 1.213 -0.965 -6.468 15 HG3 LYS 3 HG3 LYS 3 0.717 -2.636 -6.189 16 HD2 LYS 3 HD2 LYS 3 -0.122 -2.883 -8.312 17 HD3 LYS 3 HD3 LYS 3 -0.461 -1.160 -8.495 18 HE2 LYS 3 HE2 LYS 3 2.323 -2.305 -8.393 19 HE3 LYS 3 HE3 LYS 3 1.433 -2.052 -9.894 20 HZ1 LYS 3 HZ1 LYS 3 2.686 -0.113 -8.132 21 HZ2 LYS 3 HZ2 LYS 3 1.186 0.341 -8.769 22 HZ3 LYS 3 HZ3 LYS 3 2.458 -0.066 -9.807 23 H ASP 4 H ASP 4 -3.786 -2.877 -6.606 24 HA ASP 4 HA ASP 4 -3.233 -5.518 -7.399 25 HB2 ASP 4 HB2 ASP 4 -5.108 -5.066 -9.092 26 HB3 ASP 4 HB3 ASP 4 -5.505 -4.903 -7.384 27 H VAL 5 H VAL 5 -1.607 -6.092 -8.680 28 HA VAL 5 HA VAL 5 -0.529 -4.309 -10.670 29 HB VAL 5 HB VAL 5 0.169 -7.214 -10.244 30 HG11 VAL 5 HG11 VAL 5 1.501 -4.914 -11.640 31 HG12 VAL 5 HG12 VAL 5 2.406 -6.334 -11.114 32 HG13 VAL 5 HG13 VAL 5 1.092 -6.506 -12.279 33 HG21 VAL 5 HG21 VAL 5 1.353 -4.772 -8.926 34 HG22 VAL 5 HG22 VAL 5 0.383 -6.014 -8.134 35 HG23 VAL 5 HG23 VAL 5 1.971 -6.418 -8.785 36 H PHE 6 H PHE 6 -2.546 -7.186 -10.615 37 HA PHE 6 HA PHE 6 -2.504 -7.560 -13.458 38 HB2 PHE 6 HB2 PHE 6 -3.876 -8.819 -11.144 39 HB3 PHE 6 HB3 PHE 6 -4.662 -8.973 -12.712 40 HD1 PHE 6 HD1 PHE 6 -1.016 -8.815 -12.257 41 HD2 PHE 6 HD2 PHE 6 -4.387 -11.324 -12.935 42 HE1 PHE 6 HE1 PHE 6 0.489 -10.678 -12.823 43 HE2 PHE 6 HE2 PHE 6 -2.888 -13.191 -13.501 44 HZ PHE 6 HZ PHE 6 -0.447 -12.869 -13.447 45 HA PRO 7 HA PRO 7 -5.709 -4.862 -14.758 46 HB2 PRO 7 HB2 PRO 7 -6.976 -6.348 -16.644 47 HB3 PRO 7 HB3 PRO 7 -5.370 -5.651 -16.889 48 HG2 PRO 7 HG2 PRO 7 -6.127 -8.443 -16.116 49 HG3 PRO 7 HG3 PRO 7 -4.903 -7.896 -17.277 50 HD2 PRO 7 HD2 PRO 7 -4.276 -8.702 -14.769 51 HD3 PRO 7 HD3 PRO 7 -3.357 -7.448 -15.627 52 H ALA 8 H ALA 8 -7.720 -4.286 -14.141 53 HA ALA 8 HA ALA 8 -9.156 -5.720 -12.249 54 HB1 ALA 8 HB1 ALA 8 -10.234 -3.614 -14.119 55 HB2 ALA 8 HB2 ALA 8 -10.943 -4.114 -12.583 56 HB3 ALA 8 HB3 ALA 8 -9.379 -3.300 -12.609 57 H ALA 9 H ALA 9 -9.216 -5.932 -15.708 58 HA ALA 9 HA ALA 9 -11.752 -7.189 -15.975 59 HB1 ALA 9 HB1 ALA 9 -11.011 -6.263 -17.953 60 HB2 ALA 9 HB2 ALA 9 -9.367 -6.869 -17.744 61 HB3 ALA 9 HB3 ALA 9 -10.662 -7.974 -18.203 62 H THR 10 H THR 10 -8.488 -8.356 -15.414 63 HA THR 10 HA THR 10 -9.280 -11.133 -15.695 64 HB THR 10 HB THR 10 -6.644 -9.920 -14.842 65 HG1 THR 10 HG1 THR 10 -6.022 -10.486 -16.961 66 HG21 THR 10 HG21 THR 10 -6.781 -12.113 -13.902 67 HG22 THR 10 HG22 THR 10 -5.770 -12.224 -15.343 68 HG23 THR 10 HG23 THR 10 -7.444 -12.775 -15.395 69 H CYS 11 H CYS 11 -8.996 -8.773 -13.208 70 HA CYS 11 HA CYS 11 -8.867 -10.738 -11.071 71 HB2 CYS 11 HB2 CYS 11 -9.107 -7.723 -10.992 72 HB3 CYS 11 HB3 CYS 11 -8.917 -8.756 -9.579 73 H ARG 12 H ARG 12 -11.121 -8.190 -12.134 74 HA ARG 12 HA ARG 12 -13.176 -8.645 -10.353 75 HB2 ARG 12 HB2 ARG 12 -14.583 -7.462 -11.822 76 HB3 ARG 12 HB3 ARG 12 -12.973 -6.830 -12.140 77 HG2 ARG 12 HG2 ARG 12 -12.807 -8.310 -14.101 78 HG3 ARG 12 HG3 ARG 12 -14.457 -8.857 -13.798 79 HD2 ARG 12 HD2 ARG 12 -14.205 -7.051 -15.536 80 HD3 ARG 12 HD3 ARG 12 -15.348 -6.709 -14.238 81 HE ARG 12 HE ARG 12 -12.700 -5.696 -13.754 82 HH11 ARG 12 HH11 ARG 12 -15.792 -5.059 -15.223 83 HH12 ARG 12 HH12 ARG 12 -15.606 -3.337 -15.176 84 HH21 ARG 12 HH21 ARG 12 -12.443 -3.431 -13.687 85 HH22 ARG 12 HH22 ARG 12 -13.700 -2.412 -14.303 86 H HIS 13 H HIS 13 -12.307 -10.452 -13.225 87 HA HIS 13 HA HIS 13 -14.701 -12.009 -13.322 88 HB2 HIS 13 HB2 HIS 13 -12.853 -11.545 -15.157 89 HB3 HIS 13 HB3 HIS 13 -12.134 -13.005 -14.484 90 HD1 HIS 13 HD1 HIS 13 -14.449 -11.943 -16.997 91 HD2 HIS 13 HD2 HIS 13 -14.142 -15.236 -14.483 92 HE1 HIS 13 HE1 HIS 13 -15.899 -13.717 -18.033 93 H ALA 14 H ALA 14 -11.424 -12.570 -12.083 94 HA ALA 14 HA ALA 14 -11.669 -15.217 -11.308 95 HB1 ALA 14 HB1 ALA 14 -9.694 -14.938 -10.231 96 HB2 ALA 14 HB2 ALA 14 -9.686 -13.440 -11.163 97 HB3 ALA 14 HB3 ALA 14 -10.192 -13.425 -9.474 98 H LYS 15 H LYS 15 -12.397 -12.302 -9.397 99 HA LYS 15 HA LYS 15 -13.302 -13.697 -7.109 100 HB2 LYS 15 HB2 LYS 15 -14.210 -10.939 -7.912 101 HB3 LYS 15 HB3 LYS 15 -14.030 -11.595 -6.290 102 HG2 LYS 15 HG2 LYS 15 -11.801 -10.949 -8.208 103 HG3 LYS 15 HG3 LYS 15 -12.256 -10.025 -6.774 104 HD2 LYS 15 HD2 LYS 15 -11.435 -11.629 -5.322 105 HD3 LYS 15 HD3 LYS 15 -11.556 -12.921 -6.518 106 HE2 LYS 15 HE2 LYS 15 -9.781 -11.170 -7.677 107 HE3 LYS 15 HE3 LYS 15 -9.368 -11.073 -5.966 108 HZ1 LYS 15 HZ1 LYS 15 -9.428 -13.628 -6.090 109 HZ2 LYS 15 HZ2 LYS 15 -8.082 -12.817 -6.715 110 HZ3 LYS 15 HZ3 LYS 15 -9.273 -13.407 -7.761 111 H SER 16 H SER 16 -15.030 -12.228 -9.842 112 HA SER 16 HA SER 16 -17.628 -12.503 -9.147 113 HB2 SER 16 HB2 SER 16 -16.600 -11.767 -11.401 114 HB3 SER 16 HB3 SER 16 -16.730 -13.467 -11.855 115 HG SER 16 HG SER 16 -18.618 -12.571 -12.490 116 H VAL 17 H VAL 17 -15.477 -15.103 -10.177 117 HA VAL 17 HA VAL 17 -17.610 -17.069 -9.800 118 HB VAL 17 HB VAL 17 -15.920 -18.700 -10.673 119 HG11 VAL 17 HG11 VAL 17 -15.978 -17.803 -13.015 120 HG12 VAL 17 HG12 VAL 17 -17.539 -17.837 -12.192 121 HG13 VAL 17 HG13 VAL 17 -16.661 -16.316 -12.358 122 HG21 VAL 17 HG21 VAL 17 -13.915 -17.432 -10.013 123 HG22 VAL 17 HG22 VAL 17 -13.899 -17.862 -11.723 124 HG23 VAL 17 HG23 VAL 17 -14.300 -16.217 -11.232 125 H GLY 18 H GLY 18 -14.568 -16.013 -8.415 126 HA2 GLY 18 HA2 GLY 18 -14.149 -16.286 -6.071 127 HA3 GLY 18 HA3 GLY 18 -15.097 -17.765 -6.111 128 H ASN 19 H ASN 19 -12.405 -16.651 -8.152 129 HA ASN 19 HA ASN 19 -11.070 -19.209 -7.643 130 HB2 ASN 19 HB2 ASN 19 -11.406 -17.595 -9.959 131 HB3 ASN 19 HB3 ASN 19 -9.686 -17.626 -9.583 132 HD21 ASN 19 HD21 ASN 19 -11.202 -18.835 -11.789 133 HD22 ASN 19 HD22 ASN 19 -10.828 -20.521 -11.740 134 H CYS 20 H CYS 20 -11.127 -16.626 -5.954 135 HA CYS 20 HA CYS 20 -8.600 -15.450 -5.919 136 HB2 CYS 20 HB2 CYS 20 -10.679 -14.714 -4.658 137 HB3 CYS 20 HB3 CYS 20 -10.287 -15.948 -3.465 138 H SER 21 H SER 21 -9.665 -18.539 -4.768 139 HA SER 21 HA SER 21 -7.752 -19.139 -2.853 140 HB2 SER 21 HB2 SER 21 -9.120 -20.918 -4.878 141 HB3 SER 21 HB3 SER 21 -8.097 -21.540 -3.582 142 HG SER 21 HG SER 21 -9.986 -21.535 -2.595 143 H SER 22 H SER 22 -7.580 -19.567 -6.374 144 HA SER 22 HA SER 22 -5.110 -20.806 -6.552 145 HB2 SER 22 HB2 SER 22 -6.933 -19.540 -8.344 146 HB3 SER 22 HB3 SER 22 -5.312 -18.949 -8.707 147 HG SER 22 HG SER 22 -5.761 -21.699 -8.322 148 H GLU 23 H GLU 23 -3.028 -20.171 -6.432 149 HA GLU 23 HA GLU 23 -2.408 -17.722 -5.131 150 HB2 GLU 23 HB2 GLU 23 -1.078 -19.740 -4.769 151 HB3 GLU 23 HB3 GLU 23 -0.593 -19.741 -6.459 152 HG2 GLU 23 HG2 GLU 23 0.502 -17.544 -6.085 153 HG3 GLU 23 HG3 GLU 23 0.124 -17.699 -4.370 154 H LYS 24 H LYS 24 -2.487 -18.749 -8.449 155 HA LYS 24 HA LYS 24 -0.803 -16.989 -9.713 156 HB2 LYS 24 HB2 LYS 24 -2.138 -18.763 -10.831 157 HB3 LYS 24 HB3 LYS 24 -3.571 -17.757 -10.659 158 HG2 LYS 24 HG2 LYS 24 -2.774 -16.166 -12.185 159 HG3 LYS 24 HG3 LYS 24 -1.127 -16.798 -12.111 160 HD2 LYS 24 HD2 LYS 24 -1.725 -18.745 -13.326 161 HD3 LYS 24 HD3 LYS 24 -3.449 -18.406 -13.154 162 HE2 LYS 24 HE2 LYS 24 -1.548 -16.596 -14.629 163 HE3 LYS 24 HE3 LYS 24 -2.444 -17.897 -15.412 164 HZ1 LYS 24 HZ1 LYS 24 -3.471 -15.613 -15.499 165 HZ2 LYS 24 HZ2 LYS 24 -3.786 -15.774 -13.845 166 HZ3 LYS 24 HZ3 LYS 24 -4.478 -16.855 -14.947 167 H TYR 25 H TYR 25 -4.113 -16.386 -8.600 168 HA TYR 25 HA TYR 25 -3.689 -13.518 -9.123 169 HB2 TYR 25 HB2 TYR 25 -6.440 -14.125 -8.594 170 HB3 TYR 25 HB3 TYR 25 -5.718 -13.460 -10.055 171 HD1 TYR 25 HD1 TYR 25 -4.721 -15.120 -11.738 172 HD2 TYR 25 HD2 TYR 25 -7.346 -16.279 -8.597 173 HE1 TYR 25 HE1 TYR 25 -5.235 -17.201 -12.944 174 HE2 TYR 25 HE2 TYR 25 -7.866 -18.364 -9.793 175 HH TYR 25 HH TYR 25 -6.728 -19.823 -11.531 176 H LYS 26 H LYS 26 -2.682 -14.811 -6.802 177 HA LYS 26 HA LYS 26 -4.271 -13.430 -4.748 178 HB2 LYS 26 HB2 LYS 26 -4.503 -15.979 -4.728 179 HB3 LYS 26 HB3 LYS 26 -2.821 -16.017 -4.215 180 HG2 LYS 26 HG2 LYS 26 -3.328 -14.853 -2.201 181 HG3 LYS 26 HG3 LYS 26 -4.973 -14.514 -2.745 182 HD2 LYS 26 HD2 LYS 26 -4.948 -16.341 -1.130 183 HD3 LYS 26 HD3 LYS 26 -5.472 -16.912 -2.716 184 HE2 LYS 26 HE2 LYS 26 -3.693 -18.264 -2.949 185 HE3 LYS 26 HE3 LYS 26 -2.581 -17.080 -2.264 186 HZ1 LYS 26 HZ1 LYS 26 -3.694 -17.704 -0.054 187 HZ2 LYS 26 HZ2 LYS 26 -2.573 -18.781 -0.719 188 HZ3 LYS 26 HZ3 LYS 26 -4.231 -19.086 -0.868 189 H ARG 27 H ARG 27 -1.950 -12.544 -6.236 190 HA ARG 27 HA ARG 27 -0.254 -11.886 -3.969 191 HB2 ARG 27 HB2 ARG 27 1.815 -12.395 -5.320 192 HB3 ARG 27 HB3 ARG 27 0.923 -13.800 -4.750 193 HG2 ARG 27 HG2 ARG 27 0.941 -14.555 -6.831 194 HG3 ARG 27 HG3 ARG 27 -0.150 -13.235 -7.257 195 HD2 ARG 27 HD2 ARG 27 1.737 -13.194 -8.744 196 HD3 ARG 27 HD3 ARG 27 1.828 -11.799 -7.670 197 HE ARG 27 HE ARG 27 3.312 -13.846 -6.508 198 HH11 ARG 27 HH11 ARG 27 3.389 -11.867 -9.371 199 HH12 ARG 27 HH12 ARG 27 5.114 -11.919 -9.519 200 HH21 ARG 27 HH21 ARG 27 5.584 -13.922 -6.692 201 HH22 ARG 27 HH22 ARG 27 6.362 -13.089 -7.995 202 H ASN 28 H ASN 28 -0.948 -11.489 -7.412 203 HA ASN 28 HA ASN 28 0.380 -8.927 -7.530 204 HB2 ASN 28 HB2 ASN 28 -0.773 -8.917 -9.859 205 HB3 ASN 28 HB3 ASN 28 0.528 -10.065 -9.562 206 HD21 ASN 28 HD21 ASN 28 0.126 -12.198 -9.684 207 HD22 ASN 28 HD22 ASN 28 -1.420 -12.880 -10.046 208 H CYS 29 H CYS 29 -2.983 -10.022 -8.003 209 HA CYS 29 HA CYS 29 -3.981 -7.325 -7.768 210 HB2 CYS 29 HB2 CYS 29 -4.903 -9.573 -9.027 211 HB3 CYS 29 HB3 CYS 29 -5.921 -9.529 -7.592 212 H ALA 30 H ALA 30 -2.683 -7.618 -5.509 213 HA ALA 30 HA ALA 30 -3.895 -8.860 -3.340 214 HB1 ALA 30 HB1 ALA 30 -2.664 -6.231 -2.814 215 HB2 ALA 30 HB2 ALA 30 -2.352 -7.802 -2.076 216 HB3 ALA 30 HB3 ALA 30 -1.655 -7.412 -3.648 217 H ILE 31 H ILE 31 -4.376 -5.558 -4.571 218 HA ILE 31 HA ILE 31 -6.139 -4.600 -2.682 219 HB ILE 31 HB ILE 31 -6.117 -4.080 -5.654 220 HG12 ILE 31 HG12 ILE 31 -4.056 -3.456 -4.466 221 HG13 ILE 31 HG13 ILE 31 -4.924 -2.032 -5.029 222 HG21 ILE 31 HG21 ILE 31 -7.589 -2.646 -3.450 223 HG22 ILE 31 HG22 ILE 31 -7.375 -2.013 -5.081 224 HG23 ILE 31 HG23 ILE 31 -8.292 -3.497 -4.826 225 HD11 ILE 31 HD11 ILE 31 -4.875 -1.221 -2.978 226 HD12 ILE 31 HD12 ILE 31 -5.833 -2.592 -2.418 227 HD13 ILE 31 HD13 ILE 31 -4.071 -2.681 -2.402 228 H THR 32 H THR 32 -6.749 -6.790 -5.353 229 HA THR 32 HA THR 32 -9.618 -6.770 -4.869 230 HB THR 32 HB THR 32 -8.031 -8.447 -6.822 231 HG1 THR 32 HG1 THR 32 -9.189 -6.774 -8.254 232 HG21 THR 32 HG21 THR 32 -10.357 -9.220 -6.105 233 HG22 THR 32 HG22 THR 32 -10.082 -9.013 -7.835 234 HG23 THR 32 HG23 THR 32 -10.963 -7.784 -6.928 235 H CYS 33 H CYS 33 -7.339 -9.470 -5.324 236 HA CYS 33 HA CYS 33 -8.871 -11.335 -3.908 237 HB2 CYS 33 HB2 CYS 33 -6.802 -11.617 -5.515 238 HB3 CYS 33 HB3 CYS 33 -5.892 -11.587 -4.009 239 H GLY 34 H GLY 34 -5.783 -9.882 -2.848 240 HA2 GLY 34 HA2 GLY 34 -5.824 -10.752 -0.228 241 HA3 GLY 34 HA3 GLY 34 -5.052 -9.265 -0.759 242 H ALA 35 H ALA 35 -7.536 -8.034 -1.646 243 HA ALA 35 HA ALA 35 -9.186 -6.687 -0.845 244 HB1 ALA 35 HB1 ALA 35 -9.963 -9.035 -0.049 245 HB2 ALA 35 HB2 ALA 35 -9.519 -8.440 1.551 246 HB3 ALA 35 HB3 ALA 35 -10.740 -7.592 0.603 247 H CYS 36 H CYS 36 -6.475 -6.137 -0.132 248 HA CYS 36 HA CYS 36 -6.420 -5.326 2.632 249 HB2 CYS 36 HB2 CYS 36 -4.220 -4.367 2.068 250 HB3 CYS 36 HB3 CYS 36 -4.358 -6.040 1.540 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.872 -0.923 0.927 2 HA ALA 1 HA ALA 1 2.023 -3.429 0.282 3 HB1 ALA 1 HB1 ALA 1 -0.124 -3.723 1.960 4 HB2 ALA 1 HB2 ALA 1 1.548 -3.478 2.465 5 HB3 ALA 1 HB3 ALA 1 0.451 -2.102 2.349 6 H CYS 2 H CYS 2 -1.287 -2.093 0.385 7 HA CYS 2 HA CYS 2 -2.320 -4.229 -1.215 8 HB2 CYS 2 HB2 CYS 2 -3.382 -2.160 0.426 9 HB3 CYS 2 HB3 CYS 2 -4.120 -2.013 -1.165 10 H LYS 3 H LYS 3 -1.331 -4.242 -3.204 11 HA LYS 3 HA LYS 3 -2.145 -2.093 -5.016 12 HB2 LYS 3 HB2 LYS 3 0.041 -1.929 -6.024 13 HB3 LYS 3 HB3 LYS 3 0.189 -1.633 -4.297 14 HG2 LYS 3 HG2 LYS 3 1.923 -3.050 -4.498 15 HG3 LYS 3 HG3 LYS 3 0.659 -4.271 -4.336 16 HD2 LYS 3 HD2 LYS 3 0.983 -5.011 -6.419 17 HD3 LYS 3 HD3 LYS 3 0.971 -3.374 -7.080 18 HE2 LYS 3 HE2 LYS 3 3.195 -3.327 -7.223 19 HE3 LYS 3 HE3 LYS 3 3.383 -3.902 -5.567 20 HZ1 LYS 3 HZ1 LYS 3 3.749 -5.319 -7.974 21 HZ2 LYS 3 HZ2 LYS 3 2.517 -6.060 -7.084 22 HZ3 LYS 3 HZ3 LYS 3 4.042 -5.833 -6.389 23 H ASP 4 H ASP 4 -2.994 -2.859 -6.842 24 HA ASP 4 HA ASP 4 -2.680 -5.720 -7.415 25 HB2 ASP 4 HB2 ASP 4 -4.673 -5.173 -9.007 26 HB3 ASP 4 HB3 ASP 4 -4.961 -5.301 -7.274 27 H VAL 5 H VAL 5 -1.277 -6.260 -8.937 28 HA VAL 5 HA VAL 5 -0.269 -4.318 -10.812 29 HB VAL 5 HB VAL 5 0.317 -7.277 -10.772 30 HG11 VAL 5 HG11 VAL 5 2.550 -6.323 -11.654 31 HG12 VAL 5 HG12 VAL 5 1.173 -6.416 -12.754 32 HG13 VAL 5 HG13 VAL 5 1.608 -4.876 -12.011 33 HG21 VAL 5 HG21 VAL 5 1.733 -5.075 -9.272 34 HG22 VAL 5 HG22 VAL 5 0.715 -6.322 -8.550 35 HG23 VAL 5 HG23 VAL 5 2.226 -6.767 -9.344 36 H PHE 6 H PHE 6 -2.099 -7.359 -11.032 37 HA PHE 6 HA PHE 6 -2.405 -7.280 -13.847 38 HB2 PHE 6 HB2 PHE 6 -3.589 -8.845 -11.611 39 HB3 PHE 6 HB3 PHE 6 -4.466 -8.827 -13.137 40 HD1 PHE 6 HD1 PHE 6 -0.848 -9.003 -12.235 41 HD2 PHE 6 HD2 PHE 6 -4.122 -10.766 -14.306 42 HE1 PHE 6 HE1 PHE 6 0.650 -10.748 -13.109 43 HE2 PHE 6 HE2 PHE 6 -2.630 -12.515 -15.183 44 HZ PHE 6 HZ PHE 6 -0.241 -12.508 -14.584 45 HA PRO 7 HA PRO 7 -5.730 -4.495 -14.497 46 HB2 PRO 7 HB2 PRO 7 -7.152 -5.744 -16.444 47 HB3 PRO 7 HB3 PRO 7 -5.578 -4.993 -16.735 48 HG2 PRO 7 HG2 PRO 7 -6.245 -7.875 -16.272 49 HG3 PRO 7 HG3 PRO 7 -5.133 -7.160 -17.453 50 HD2 PRO 7 HD2 PRO 7 -4.280 -8.274 -15.138 51 HD3 PRO 7 HD3 PRO 7 -3.449 -6.903 -15.900 52 H ALA 8 H ALA 8 -7.761 -4.045 -13.772 53 HA ALA 8 HA ALA 8 -8.991 -5.703 -11.902 54 HB1 ALA 8 HB1 ALA 8 -11.025 -4.123 -12.430 55 HB2 ALA 8 HB2 ALA 8 -9.580 -3.506 -11.628 56 HB3 ALA 8 HB3 ALA 8 -9.812 -3.237 -13.355 57 H ALA 9 H ALA 9 -9.292 -5.602 -15.348 58 HA ALA 9 HA ALA 9 -11.813 -6.908 -15.551 59 HB1 ALA 9 HB1 ALA 9 -9.583 -6.327 -17.450 60 HB2 ALA 9 HB2 ALA 9 -10.872 -7.435 -17.921 61 HB3 ALA 9 HB3 ALA 9 -11.257 -5.771 -17.479 62 H THR 10 H THR 10 -8.453 -8.029 -15.633 63 HA THR 10 HA THR 10 -9.204 -10.779 -16.034 64 HB THR 10 HB THR 10 -6.531 -9.583 -15.273 65 HG1 THR 10 HG1 THR 10 -7.656 -10.380 -17.767 66 HG21 THR 10 HG21 THR 10 -7.269 -12.363 -16.193 67 HG22 THR 10 HG22 THR 10 -6.620 -11.909 -14.617 68 HG23 THR 10 HG23 THR 10 -5.621 -11.751 -16.062 69 H CYS 11 H CYS 11 -8.805 -8.688 -13.342 70 HA CYS 11 HA CYS 11 -8.392 -10.849 -11.445 71 HB2 CYS 11 HB2 CYS 11 -8.636 -7.857 -11.164 72 HB3 CYS 11 HB3 CYS 11 -8.585 -8.927 -9.767 73 H ARG 12 H ARG 12 -10.872 -8.385 -12.113 74 HA ARG 12 HA ARG 12 -12.743 -9.066 -10.216 75 HB2 ARG 12 HB2 ARG 12 -14.395 -8.027 -11.610 76 HB3 ARG 12 HB3 ARG 12 -12.887 -7.146 -11.810 77 HG2 ARG 12 HG2 ARG 12 -12.480 -8.402 -13.903 78 HG3 ARG 12 HG3 ARG 12 -14.063 -9.159 -13.713 79 HD2 ARG 12 HD2 ARG 12 -13.632 -6.181 -13.855 80 HD3 ARG 12 HD3 ARG 12 -14.010 -7.183 -15.255 81 HE ARG 12 HE ARG 12 -15.892 -7.524 -13.134 82 HH11 ARG 12 HH11 ARG 12 -14.997 -5.474 -15.802 83 HH12 ARG 12 HH12 ARG 12 -16.600 -4.859 -16.036 84 HH21 ARG 12 HH21 ARG 12 -18.006 -6.722 -13.433 85 HH22 ARG 12 HH22 ARG 12 -18.310 -5.569 -14.688 86 H HIS 13 H HIS 13 -12.027 -10.668 -13.255 87 HA HIS 13 HA HIS 13 -14.279 -12.335 -13.403 88 HB2 HIS 13 HB2 HIS 13 -12.266 -11.893 -15.074 89 HB3 HIS 13 HB3 HIS 13 -11.626 -13.351 -14.321 90 HD1 HIS 13 HD1 HIS 13 -13.903 -12.224 -16.919 91 HD2 HIS 13 HD2 HIS 13 -13.439 -15.639 -14.599 92 HE1 HIS 13 HE1 HIS 13 -15.221 -14.017 -18.091 93 H ALA 14 H ALA 14 -11.104 -12.860 -11.903 94 HA ALA 14 HA ALA 14 -11.544 -15.493 -11.044 95 HB1 ALA 14 HB1 ALA 14 -9.529 -15.334 -10.019 96 HB2 ALA 14 HB2 ALA 14 -9.405 -13.897 -11.035 97 HB3 ALA 14 HB3 ALA 14 -9.873 -13.741 -9.342 98 H LYS 15 H LYS 15 -12.177 -12.390 -9.463 99 HA LYS 15 HA LYS 15 -13.019 -13.471 -6.986 100 HB2 LYS 15 HB2 LYS 15 -13.964 -10.849 -8.130 101 HB3 LYS 15 HB3 LYS 15 -13.746 -11.282 -6.439 102 HG2 LYS 15 HG2 LYS 15 -11.561 -10.888 -8.472 103 HG3 LYS 15 HG3 LYS 15 -11.995 -9.782 -7.167 104 HD2 LYS 15 HD2 LYS 15 -11.166 -11.202 -5.521 105 HD3 LYS 15 HD3 LYS 15 -11.238 -12.619 -6.572 106 HE2 LYS 15 HE2 LYS 15 -9.514 -10.944 -7.908 107 HE3 LYS 15 HE3 LYS 15 -9.115 -10.650 -6.216 108 HZ1 LYS 15 HZ1 LYS 15 -8.914 -13.148 -7.759 109 HZ2 LYS 15 HZ2 LYS 15 -9.106 -13.214 -6.080 110 HZ3 LYS 15 HZ3 LYS 15 -7.769 -12.421 -6.747 111 H SER 16 H SER 16 -14.823 -12.360 -9.840 112 HA SER 16 HA SER 16 -17.400 -12.572 -9.053 113 HB2 SER 16 HB2 SER 16 -16.729 -11.972 -11.343 114 HB3 SER 16 HB3 SER 16 -16.289 -13.651 -11.657 115 HG SER 16 HG SER 16 -18.299 -14.007 -12.105 116 H VAL 17 H VAL 17 -15.255 -15.263 -9.843 117 HA VAL 17 HA VAL 17 -17.354 -17.190 -9.198 118 HB VAL 17 HB VAL 17 -15.722 -18.901 -9.915 119 HG11 VAL 17 HG11 VAL 17 -17.200 -18.138 -11.594 120 HG12 VAL 17 HG12 VAL 17 -16.308 -16.629 -11.797 121 HG13 VAL 17 HG13 VAL 17 -15.597 -18.153 -12.328 122 HG21 VAL 17 HG21 VAL 17 -13.628 -18.201 -10.984 123 HG22 VAL 17 HG22 VAL 17 -13.951 -16.532 -10.514 124 HG23 VAL 17 HG23 VAL 17 -13.670 -17.758 -9.278 125 H GLY 18 H GLY 18 -14.313 -15.951 -7.963 126 HA2 GLY 18 HA2 GLY 18 -13.870 -15.927 -5.612 127 HA3 GLY 18 HA3 GLY 18 -14.836 -17.386 -5.451 128 H ASN 19 H ASN 19 -12.189 -16.644 -7.698 129 HA ASN 19 HA ASN 19 -10.853 -19.094 -6.806 130 HB2 ASN 19 HB2 ASN 19 -11.252 -17.886 -9.349 131 HB3 ASN 19 HB3 ASN 19 -9.521 -17.879 -9.026 132 HD21 ASN 19 HD21 ASN 19 -11.041 -19.407 -10.977 133 HD22 ASN 19 HD22 ASN 19 -10.712 -21.071 -10.647 134 H CYS 20 H CYS 20 -10.840 -16.257 -5.583 135 HA CYS 20 HA CYS 20 -8.345 -15.077 -5.815 136 HB2 CYS 20 HB2 CYS 20 -10.163 -14.021 -4.592 137 HB3 CYS 20 HB3 CYS 20 -10.116 -15.290 -3.372 138 H SER 21 H SER 21 -9.280 -17.980 -4.145 139 HA SER 21 HA SER 21 -7.242 -18.303 -2.314 140 HB2 SER 21 HB2 SER 21 -9.120 -19.859 -2.473 141 HB3 SER 21 HB3 SER 21 -8.540 -20.428 -4.038 142 HG SER 21 HG SER 21 -7.047 -20.603 -1.632 143 H SER 22 H SER 22 -7.186 -18.775 -5.791 144 HA SER 22 HA SER 22 -4.765 -20.152 -6.024 145 HB2 SER 22 HB2 SER 22 -6.631 -19.323 -7.795 146 HB3 SER 22 HB3 SER 22 -5.365 -18.138 -8.114 147 HG SER 22 HG SER 22 -4.447 -19.651 -9.229 148 H GLU 23 H GLU 23 -2.997 -18.822 -7.522 149 HA GLU 23 HA GLU 23 -2.110 -16.613 -5.784 150 HB2 GLU 23 HB2 GLU 23 -0.763 -18.758 -5.709 151 HB3 GLU 23 HB3 GLU 23 -0.310 -18.437 -7.377 152 HG2 GLU 23 HG2 GLU 23 0.817 -16.429 -6.761 153 HG3 GLU 23 HG3 GLU 23 0.203 -16.528 -5.112 154 H LYS 24 H LYS 24 -2.423 -17.799 -9.065 155 HA LYS 24 HA LYS 24 -1.029 -15.881 -10.484 156 HB2 LYS 24 HB2 LYS 24 -2.017 -17.826 -11.558 157 HB3 LYS 24 HB3 LYS 24 -3.635 -17.235 -11.202 158 HG2 LYS 24 HG2 LYS 24 -3.325 -15.364 -12.694 159 HG3 LYS 24 HG3 LYS 24 -1.651 -15.840 -12.987 160 HD2 LYS 24 HD2 LYS 24 -2.305 -17.786 -14.152 161 HD3 LYS 24 HD3 LYS 24 -3.970 -17.662 -13.579 162 HE2 LYS 24 HE2 LYS 24 -2.686 -15.581 -15.331 163 HE3 LYS 24 HE3 LYS 24 -3.546 -16.975 -15.982 164 HZ1 LYS 24 HZ1 LYS 24 -5.551 -16.255 -15.000 165 HZ2 LYS 24 HZ2 LYS 24 -4.886 -14.891 -15.745 166 HZ3 LYS 24 HZ3 LYS 24 -4.775 -15.076 -14.067 167 H TYR 25 H TYR 25 -4.135 -15.643 -8.901 168 HA TYR 25 HA TYR 25 -4.296 -12.824 -9.748 169 HB2 TYR 25 HB2 TYR 25 -6.837 -13.766 -8.837 170 HB3 TYR 25 HB3 TYR 25 -6.393 -13.168 -10.432 171 HD1 TYR 25 HD1 TYR 25 -5.474 -14.806 -12.124 172 HD2 TYR 25 HD2 TYR 25 -7.278 -16.053 -8.478 173 HE1 TYR 25 HE1 TYR 25 -5.802 -17.055 -13.063 174 HE2 TYR 25 HE2 TYR 25 -7.609 -18.307 -9.406 175 HH TYR 25 HH TYR 25 -6.627 -19.087 -12.730 176 H LYS 26 H LYS 26 -2.840 -13.776 -7.488 177 HA LYS 26 HA LYS 26 -4.279 -12.332 -5.387 178 HB2 LYS 26 HB2 LYS 26 -4.676 -14.715 -4.958 179 HB3 LYS 26 HB3 LYS 26 -2.944 -15.016 -4.987 180 HG2 LYS 26 HG2 LYS 26 -3.166 -13.044 -3.102 181 HG3 LYS 26 HG3 LYS 26 -4.633 -13.992 -2.846 182 HD2 LYS 26 HD2 LYS 26 -2.085 -15.473 -3.201 183 HD3 LYS 26 HD3 LYS 26 -2.318 -14.604 -1.682 184 HE2 LYS 26 HE2 LYS 26 -4.720 -15.839 -1.958 185 HE3 LYS 26 HE3 LYS 26 -3.646 -17.017 -2.710 186 HZ1 LYS 26 HZ1 LYS 26 -2.332 -17.094 -0.721 187 HZ2 LYS 26 HZ2 LYS 26 -3.948 -17.377 -0.312 188 HZ3 LYS 26 HZ3 LYS 26 -3.250 -15.868 -0.001 189 H ARG 27 H ARG 27 -1.235 -13.763 -6.485 190 HA ARG 27 HA ARG 27 0.426 -12.408 -4.637 191 HB2 ARG 27 HB2 ARG 27 2.263 -13.167 -5.959 192 HB3 ARG 27 HB3 ARG 27 1.055 -14.444 -5.967 193 HG2 ARG 27 HG2 ARG 27 0.299 -13.681 -8.183 194 HG3 ARG 27 HG3 ARG 27 1.577 -12.464 -8.174 195 HD2 ARG 27 HD2 ARG 27 1.854 -15.458 -8.227 196 HD3 ARG 27 HD3 ARG 27 2.404 -14.291 -9.429 197 HE ARG 27 HE ARG 27 3.756 -13.605 -7.167 198 HH11 ARG 27 HH11 ARG 27 3.394 -16.540 -9.006 199 HH12 ARG 27 HH12 ARG 27 4.965 -17.145 -8.595 200 HH21 ARG 27 HH21 ARG 27 5.826 -14.392 -6.620 201 HH22 ARG 27 HH22 ARG 27 6.347 -15.923 -7.237 202 H ASN 28 H ASN 28 -0.918 -11.544 -7.742 203 HA ASN 28 HA ASN 28 0.661 -9.075 -7.797 204 HB2 ASN 28 HB2 ASN 28 -0.629 -8.881 -10.085 205 HB3 ASN 28 HB3 ASN 28 0.760 -9.953 -9.932 206 HD21 ASN 28 HD21 ASN 28 0.501 -11.950 -10.612 207 HD22 ASN 28 HD22 ASN 28 -1.008 -12.765 -10.822 208 H CYS 29 H CYS 29 -2.719 -10.162 -8.063 209 HA CYS 29 HA CYS 29 -3.728 -7.479 -7.765 210 HB2 CYS 29 HB2 CYS 29 -4.741 -9.927 -8.724 211 HB3 CYS 29 HB3 CYS 29 -5.727 -9.508 -7.327 212 H ALA 30 H ALA 30 -2.248 -7.623 -5.648 213 HA ALA 30 HA ALA 30 -3.108 -8.872 -3.337 214 HB1 ALA 30 HB1 ALA 30 -2.011 -6.076 -3.333 215 HB2 ALA 30 HB2 ALA 30 -1.782 -7.352 -2.137 216 HB3 ALA 30 HB3 ALA 30 -1.009 -7.476 -3.718 217 H ILE 31 H ILE 31 -4.106 -5.716 -4.630 218 HA ILE 31 HA ILE 31 -5.832 -5.007 -2.535 219 HB ILE 31 HB ILE 31 -5.986 -4.243 -5.453 220 HG12 ILE 31 HG12 ILE 31 -4.740 -2.849 -3.074 221 HG13 ILE 31 HG13 ILE 31 -3.869 -3.613 -4.399 222 HG21 ILE 31 HG21 ILE 31 -7.317 -2.329 -4.678 223 HG22 ILE 31 HG22 ILE 31 -8.115 -3.867 -4.352 224 HG23 ILE 31 HG23 ILE 31 -7.308 -2.998 -3.047 225 HD11 ILE 31 HD11 ILE 31 -4.821 -1.983 -5.952 226 HD12 ILE 31 HD12 ILE 31 -5.665 -1.210 -4.610 227 HD13 ILE 31 HD13 ILE 31 -3.903 -1.210 -4.660 228 H THR 32 H THR 32 -6.916 -5.964 -5.790 229 HA THR 32 HA THR 32 -9.530 -6.464 -5.305 230 HB THR 32 HB THR 32 -7.825 -8.289 -7.006 231 HG1 THR 32 HG1 THR 32 -8.988 -5.754 -7.596 232 HG21 THR 32 HG21 THR 32 -9.759 -8.880 -8.137 233 HG22 THR 32 HG22 THR 32 -10.632 -7.443 -7.606 234 HG23 THR 32 HG23 THR 32 -10.333 -8.762 -6.474 235 H CYS 33 H CYS 33 -7.126 -9.104 -5.265 236 HA CYS 33 HA CYS 33 -8.731 -11.051 -4.146 237 HB2 CYS 33 HB2 CYS 33 -6.115 -10.913 -4.941 238 HB3 CYS 33 HB3 CYS 33 -5.947 -11.114 -3.200 239 H GLY 34 H GLY 34 -6.362 -9.048 -2.372 240 HA2 GLY 34 HA2 GLY 34 -6.957 -9.856 0.193 241 HA3 GLY 34 HA3 GLY 34 -6.399 -8.241 -0.219 242 H ALA 35 H ALA 35 -8.822 -7.770 -1.882 243 HA ALA 35 HA ALA 35 -10.911 -6.888 -1.671 244 HB1 ALA 35 HB1 ALA 35 -12.467 -8.062 -0.488 245 HB2 ALA 35 HB2 ALA 35 -11.168 -9.255 -0.522 246 HB3 ALA 35 HB3 ALA 35 -11.415 -8.262 0.914 247 H CYS 36 H CYS 36 -8.638 -5.532 -0.558 248 HA CYS 36 HA CYS 36 -9.601 -4.305 1.900 249 HB2 CYS 36 HB2 CYS 36 -7.469 -3.230 2.030 250 HB3 CYS 36 HB3 CYS 36 -7.179 -4.898 1.548 Start of MODEL 13 1 H1 ALA 1 H ALA 1 5.085 -2.456 -0.524 2 HA ALA 1 HA ALA 1 2.980 -0.602 -0.575 3 HB1 ALA 1 HB1 ALA 1 4.982 -1.484 -2.346 4 HB2 ALA 1 HB2 ALA 1 3.444 -1.644 -3.196 5 HB3 ALA 1 HB3 ALA 1 3.919 -0.087 -2.516 6 H CYS 2 H CYS 2 0.876 -0.708 -1.268 7 HA CYS 2 HA CYS 2 -0.193 -3.406 -1.786 8 HB2 CYS 2 HB2 CYS 2 -0.819 -1.634 0.329 9 HB3 CYS 2 HB3 CYS 2 -2.210 -1.643 -0.751 10 H LYS 3 H LYS 3 -0.653 -3.497 -3.888 11 HA LYS 3 HA LYS 3 -2.663 -1.824 -5.008 12 HB2 LYS 3 HB2 LYS 3 -1.388 -0.737 -6.742 13 HB3 LYS 3 HB3 LYS 3 -0.693 -0.316 -5.182 14 HG2 LYS 3 HG2 LYS 3 1.232 -0.797 -6.243 15 HG3 LYS 3 HG3 LYS 3 0.817 -2.447 -5.773 16 HD2 LYS 3 HD2 LYS 3 1.150 -2.839 -7.979 17 HD3 LYS 3 HD3 LYS 3 -0.525 -2.294 -8.091 18 HE2 LYS 3 HE2 LYS 3 1.635 -0.253 -8.208 19 HE3 LYS 3 HE3 LYS 3 1.380 -1.277 -9.620 20 HZ1 LYS 3 HZ1 LYS 3 -1.128 -0.506 -8.964 21 HZ2 LYS 3 HZ2 LYS 3 -0.172 0.209 -10.162 22 HZ3 LYS 3 HZ3 LYS 3 -0.226 0.882 -8.610 23 H ASP 4 H ASP 4 -3.740 -2.970 -6.485 24 HA ASP 4 HA ASP 4 -3.002 -5.612 -7.124 25 HB2 ASP 4 HB2 ASP 4 -4.897 -5.386 -8.841 26 HB3 ASP 4 HB3 ASP 4 -5.312 -5.155 -7.145 27 H VAL 5 H VAL 5 -1.525 -6.294 -8.513 28 HA VAL 5 HA VAL 5 -0.380 -4.517 -10.470 29 HB VAL 5 HB VAL 5 0.178 -7.464 -10.148 30 HG11 VAL 5 HG11 VAL 5 2.499 -6.137 -10.844 31 HG12 VAL 5 HG12 VAL 5 1.467 -7.073 -11.927 32 HG13 VAL 5 HG13 VAL 5 1.254 -5.327 -11.794 33 HG21 VAL 5 HG21 VAL 5 2.205 -6.420 -8.826 34 HG22 VAL 5 HG22 VAL 5 1.045 -5.127 -8.519 35 HG23 VAL 5 HG23 VAL 5 0.678 -6.778 -8.020 36 H PHE 6 H PHE 6 -2.497 -7.331 -10.476 37 HA PHE 6 HA PHE 6 -2.511 -7.627 -13.320 38 HB2 PHE 6 HB2 PHE 6 -3.921 -8.862 -11.022 39 HB3 PHE 6 HB3 PHE 6 -4.750 -8.925 -12.574 40 HD1 PHE 6 HD1 PHE 6 -1.093 -8.992 -12.221 41 HD2 PHE 6 HD2 PHE 6 -4.622 -11.287 -12.849 42 HE1 PHE 6 HE1 PHE 6 0.284 -10.925 -12.873 43 HE2 PHE 6 HE2 PHE 6 -3.251 -13.223 -13.501 44 HZ PHE 6 HZ PHE 6 -0.795 -13.044 -13.513 45 HA PRO 7 HA PRO 7 -5.573 -4.738 -14.553 46 HB2 PRO 7 HB2 PRO 7 -6.942 -6.122 -16.445 47 HB3 PRO 7 HB3 PRO 7 -5.301 -5.515 -16.698 48 HG2 PRO 7 HG2 PRO 7 -6.209 -8.269 -15.956 49 HG3 PRO 7 HG3 PRO 7 -4.966 -7.777 -17.121 50 HD2 PRO 7 HD2 PRO 7 -4.363 -8.653 -14.631 51 HD3 PRO 7 HD3 PRO 7 -3.382 -7.442 -15.481 52 H ALA 8 H ALA 8 -7.577 -4.063 -13.977 53 HA ALA 8 HA ALA 8 -9.065 -5.423 -12.060 54 HB1 ALA 8 HB1 ALA 8 -10.540 -3.648 -12.110 55 HB2 ALA 8 HB2 ALA 8 -9.074 -2.921 -12.769 56 HB3 ALA 8 HB3 ALA 8 -10.374 -3.421 -13.851 57 H ALA 9 H ALA 9 -9.149 -5.635 -15.518 58 HA ALA 9 HA ALA 9 -11.747 -6.767 -15.770 59 HB1 ALA 9 HB1 ALA 9 -10.698 -7.604 -18.005 60 HB2 ALA 9 HB2 ALA 9 -10.988 -5.882 -17.756 61 HB3 ALA 9 HB3 ALA 9 -9.365 -6.541 -17.554 62 H THR 10 H THR 10 -8.537 -8.087 -15.234 63 HA THR 10 HA THR 10 -9.470 -10.823 -15.506 64 HB THR 10 HB THR 10 -6.760 -9.753 -14.694 65 HG1 THR 10 HG1 THR 10 -7.789 -10.757 -17.154 66 HG21 THR 10 HG21 THR 10 -6.079 -12.139 -15.347 67 HG22 THR 10 HG22 THR 10 -7.786 -12.540 -15.158 68 HG23 THR 10 HG23 THR 10 -6.870 -11.915 -13.787 69 H CYS 11 H CYS 11 -9.044 -8.476 -13.033 70 HA CYS 11 HA CYS 11 -8.956 -10.439 -10.891 71 HB2 CYS 11 HB2 CYS 11 -8.953 -7.421 -10.921 72 HB3 CYS 11 HB3 CYS 11 -9.020 -8.360 -9.433 73 H ARG 12 H ARG 12 -11.172 -7.984 -12.162 74 HA ARG 12 HA ARG 12 -13.208 -8.258 -10.273 75 HB2 ARG 12 HB2 ARG 12 -14.632 -7.151 -11.830 76 HB3 ARG 12 HB3 ARG 12 -13.021 -6.481 -12.047 77 HG2 ARG 12 HG2 ARG 12 -12.737 -8.097 -13.963 78 HG3 ARG 12 HG3 ARG 12 -14.464 -8.431 -13.816 79 HD2 ARG 12 HD2 ARG 12 -14.774 -5.894 -13.995 80 HD3 ARG 12 HD3 ARG 12 -13.104 -5.861 -14.560 81 HE ARG 12 HE ARG 12 -13.801 -6.721 -16.564 82 HH11 ARG 12 HH11 ARG 12 -16.322 -7.140 -14.200 83 HH12 ARG 12 HH12 ARG 12 -17.494 -7.683 -15.355 84 HH21 ARG 12 HH21 ARG 12 -15.335 -7.435 -18.094 85 HH22 ARG 12 HH22 ARG 12 -16.931 -7.851 -17.569 86 H HIS 13 H HIS 13 -12.439 -10.165 -13.115 87 HA HIS 13 HA HIS 13 -14.871 -11.712 -12.969 88 HB2 HIS 13 HB2 HIS 13 -13.259 -11.156 -15.029 89 HB3 HIS 13 HB3 HIS 13 -12.536 -12.684 -14.536 90 HD1 HIS 13 HD1 HIS 13 -15.433 -11.255 -16.299 91 HD2 HIS 13 HD2 HIS 13 -14.316 -14.933 -14.721 92 HE1 HIS 13 HE1 HIS 13 -17.021 -12.927 -17.302 93 H ALA 14 H ALA 14 -11.508 -12.066 -12.009 94 HA ALA 14 HA ALA 14 -11.378 -14.761 -11.435 95 HB1 ALA 14 HB1 ALA 14 -9.749 -12.581 -11.022 96 HB2 ALA 14 HB2 ALA 14 -10.089 -13.147 -9.386 97 HB3 ALA 14 HB3 ALA 14 -9.386 -14.247 -10.572 98 H LYS 15 H LYS 15 -12.445 -12.146 -9.265 99 HA LYS 15 HA LYS 15 -13.078 -13.788 -7.076 100 HB2 LYS 15 HB2 LYS 15 -14.458 -11.194 -7.765 101 HB3 LYS 15 HB3 LYS 15 -14.228 -11.898 -6.170 102 HG2 LYS 15 HG2 LYS 15 -12.100 -10.745 -7.960 103 HG3 LYS 15 HG3 LYS 15 -12.714 -10.059 -6.453 104 HD2 LYS 15 HD2 LYS 15 -11.236 -12.676 -6.732 105 HD3 LYS 15 HD3 LYS 15 -10.557 -11.166 -6.120 106 HE2 LYS 15 HE2 LYS 15 -12.772 -12.801 -4.891 107 HE3 LYS 15 HE3 LYS 15 -11.142 -12.572 -4.259 108 HZ1 LYS 15 HZ1 LYS 15 -13.278 -10.527 -4.492 109 HZ2 LYS 15 HZ2 LYS 15 -11.675 -10.163 -4.096 110 HZ3 LYS 15 HZ3 LYS 15 -12.597 -11.142 -3.070 111 H SER 16 H SER 16 -15.209 -12.397 -9.573 112 HA SER 16 HA SER 16 -17.639 -13.326 -8.840 113 HB2 SER 16 HB2 SER 16 -16.508 -13.414 -11.648 114 HB3 SER 16 HB3 SER 16 -18.222 -13.472 -11.237 115 HG SER 16 HG SER 16 -17.829 -11.367 -11.642 116 H VAL 17 H VAL 17 -15.374 -15.205 -10.858 117 HA VAL 17 HA VAL 17 -16.912 -17.597 -10.687 118 HB VAL 17 HB VAL 17 -14.962 -18.702 -11.703 119 HG11 VAL 17 HG11 VAL 17 -16.529 -17.612 -13.170 120 HG12 VAL 17 HG12 VAL 17 -15.727 -16.057 -12.934 121 HG13 VAL 17 HG13 VAL 17 -14.895 -17.359 -13.785 122 HG21 VAL 17 HG21 VAL 17 -13.640 -16.029 -11.268 123 HG22 VAL 17 HG22 VAL 17 -13.150 -17.588 -10.605 124 HG23 VAL 17 HG23 VAL 17 -13.006 -17.281 -12.336 125 H GLY 18 H GLY 18 -14.193 -16.278 -8.890 126 HA2 GLY 18 HA2 GLY 18 -13.855 -16.852 -6.591 127 HA3 GLY 18 HA3 GLY 18 -14.558 -18.429 -6.918 128 H ASN 19 H ASN 19 -12.157 -16.946 -8.989 129 HA ASN 19 HA ASN 19 -10.427 -19.228 -8.645 130 HB2 ASN 19 HB2 ASN 19 -10.863 -17.269 -10.656 131 HB3 ASN 19 HB3 ASN 19 -9.175 -17.155 -10.169 132 HD21 ASN 19 HD21 ASN 19 -10.187 -18.036 -12.688 133 HD22 ASN 19 HD22 ASN 19 -9.676 -19.673 -12.899 134 H CYS 20 H CYS 20 -10.786 -16.222 -7.153 135 HA CYS 20 HA CYS 20 -8.258 -15.312 -6.610 136 HB2 CYS 20 HB2 CYS 20 -10.176 -14.097 -5.824 137 HB3 CYS 20 HB3 CYS 20 -10.667 -15.436 -4.792 138 H SER 21 H SER 21 -9.876 -18.118 -5.285 139 HA SER 21 HA SER 21 -8.357 -18.680 -3.061 140 HB2 SER 21 HB2 SER 21 -10.357 -19.974 -3.992 141 HB3 SER 21 HB3 SER 21 -9.198 -20.817 -5.020 142 HG SER 21 HG SER 21 -9.599 -20.981 -2.274 143 H SER 22 H SER 22 -7.538 -19.122 -6.443 144 HA SER 22 HA SER 22 -5.260 -20.737 -6.102 145 HB2 SER 22 HB2 SER 22 -6.621 -19.831 -8.262 146 HB3 SER 22 HB3 SER 22 -5.207 -18.780 -8.322 147 HG SER 22 HG SER 22 -5.007 -21.588 -8.039 148 H GLU 23 H GLU 23 -3.143 -19.514 -7.293 149 HA GLU 23 HA GLU 23 -2.467 -17.346 -5.414 150 HB2 GLU 23 HB2 GLU 23 -1.335 -19.664 -5.150 151 HB3 GLU 23 HB3 GLU 23 -0.421 -19.210 -6.582 152 HG2 GLU 23 HG2 GLU 23 0.549 -17.348 -5.476 153 HG3 GLU 23 HG3 GLU 23 -0.537 -17.522 -4.099 154 H LYS 24 H LYS 24 -2.250 -18.576 -8.675 155 HA LYS 24 HA LYS 24 -0.430 -16.869 -9.839 156 HB2 LYS 24 HB2 LYS 24 -1.446 -18.683 -11.081 157 HB3 LYS 24 HB3 LYS 24 -3.027 -17.921 -10.972 158 HG2 LYS 24 HG2 LYS 24 -2.418 -16.206 -12.464 159 HG3 LYS 24 HG3 LYS 24 -0.703 -16.607 -12.346 160 HD2 LYS 24 HD2 LYS 24 -0.879 -18.372 -13.778 161 HD3 LYS 24 HD3 LYS 24 -2.541 -18.731 -13.304 162 HE2 LYS 24 HE2 LYS 24 -3.316 -17.605 -15.054 163 HE3 LYS 24 HE3 LYS 24 -2.450 -16.157 -14.542 164 HZ1 LYS 24 HZ1 LYS 24 -1.114 -16.414 -16.268 165 HZ2 LYS 24 HZ2 LYS 24 -1.902 -17.840 -16.722 166 HZ3 LYS 24 HZ3 LYS 24 -0.587 -17.903 -15.659 167 H TYR 25 H TYR 25 -3.673 -16.193 -8.754 168 HA TYR 25 HA TYR 25 -3.310 -13.388 -9.581 169 HB2 TYR 25 HB2 TYR 25 -6.087 -13.973 -9.254 170 HB3 TYR 25 HB3 TYR 25 -5.239 -13.446 -10.704 171 HD1 TYR 25 HD1 TYR 25 -4.182 -15.215 -12.187 172 HD2 TYR 25 HD2 TYR 25 -6.930 -16.160 -9.079 173 HE1 TYR 25 HE1 TYR 25 -4.605 -17.401 -13.233 174 HE2 TYR 25 HE2 TYR 25 -7.360 -18.349 -10.116 175 HH TYR 25 HH TYR 25 -6.939 -19.142 -12.979 176 H LYS 26 H LYS 26 -2.434 -14.394 -7.126 177 HA LYS 26 HA LYS 26 -4.357 -13.156 -5.267 178 HB2 LYS 26 HB2 LYS 26 -3.645 -15.753 -5.165 179 HB3 LYS 26 HB3 LYS 26 -2.357 -15.060 -4.188 180 HG2 LYS 26 HG2 LYS 26 -4.443 -13.838 -3.056 181 HG3 LYS 26 HG3 LYS 26 -5.248 -15.302 -3.628 182 HD2 LYS 26 HD2 LYS 26 -3.081 -16.420 -2.542 183 HD3 LYS 26 HD3 LYS 26 -3.160 -14.962 -1.550 184 HE2 LYS 26 HE2 LYS 26 -5.769 -16.156 -1.853 185 HE3 LYS 26 HE3 LYS 26 -4.613 -17.322 -1.212 186 HZ1 LYS 26 HZ1 LYS 26 -4.996 -16.371 0.745 187 HZ2 LYS 26 HZ2 LYS 26 -5.792 -15.046 0.058 188 HZ3 LYS 26 HZ3 LYS 26 -4.105 -15.043 0.192 189 H ARG 27 H ARG 27 -1.006 -13.546 -6.220 190 HA ARG 27 HA ARG 27 0.033 -11.862 -4.140 191 HB2 ARG 27 HB2 ARG 27 2.151 -12.007 -5.400 192 HB3 ARG 27 HB3 ARG 27 1.441 -13.588 -5.103 193 HG2 ARG 27 HG2 ARG 27 0.516 -13.539 -7.410 194 HG3 ARG 27 HG3 ARG 27 1.405 -12.039 -7.681 195 HD2 ARG 27 HD2 ARG 27 2.625 -13.976 -8.543 196 HD3 ARG 27 HD3 ARG 27 3.505 -13.186 -7.235 197 HE ARG 27 HE ARG 27 1.899 -15.300 -6.241 198 HH11 ARG 27 HH11 ARG 27 4.851 -14.658 -7.971 199 HH12 ARG 27 HH12 ARG 27 5.624 -16.120 -7.457 200 HH21 ARG 27 HH21 ARG 27 2.906 -17.229 -5.557 201 HH22 ARG 27 HH22 ARG 27 4.517 -17.583 -6.084 202 H ASN 28 H ASN 28 -0.709 -11.476 -7.582 203 HA ASN 28 HA ASN 28 0.228 -8.804 -7.773 204 HB2 ASN 28 HB2 ASN 28 -1.422 -8.857 -9.827 205 HB3 ASN 28 HB3 ASN 28 0.069 -9.794 -9.854 206 HD21 ASN 28 HD21 ASN 28 -0.025 -11.968 -9.962 207 HD22 ASN 28 HD22 ASN 28 -1.494 -12.873 -10.052 208 H CYS 29 H CYS 29 -3.131 -10.008 -7.888 209 HA CYS 29 HA CYS 29 -4.156 -7.402 -7.203 210 HB2 CYS 29 HB2 CYS 29 -5.178 -9.763 -8.414 211 HB3 CYS 29 HB3 CYS 29 -6.166 -9.424 -6.997 212 H ALA 30 H ALA 30 -3.141 -7.145 -5.132 213 HA ALA 30 HA ALA 30 -3.859 -8.928 -2.978 214 HB1 ALA 30 HB1 ALA 30 -2.545 -7.463 -1.572 215 HB2 ALA 30 HB2 ALA 30 -1.661 -7.816 -3.057 216 HB3 ALA 30 HB3 ALA 30 -2.462 -6.258 -2.857 217 H ILE 31 H ILE 31 -4.889 -5.814 -4.215 218 HA ILE 31 HA ILE 31 -6.509 -5.148 -1.951 219 HB ILE 31 HB ILE 31 -6.319 -4.034 -4.739 220 HG12 ILE 31 HG12 ILE 31 -5.653 -1.985 -3.352 221 HG13 ILE 31 HG13 ILE 31 -5.553 -3.084 -1.980 222 HG21 ILE 31 HG21 ILE 31 -7.857 -2.223 -3.899 223 HG22 ILE 31 HG22 ILE 31 -8.616 -3.781 -4.221 224 HG23 ILE 31 HG23 ILE 31 -8.262 -3.299 -2.562 225 HD11 ILE 31 HD11 ILE 31 -4.051 -3.664 -4.495 226 HD12 ILE 31 HD12 ILE 31 -3.419 -2.527 -3.305 227 HD13 ILE 31 HD13 ILE 31 -3.727 -4.202 -2.847 228 H THR 32 H THR 32 -6.981 -6.892 -4.932 229 HA THR 32 HA THR 32 -9.870 -6.969 -4.603 230 HB THR 32 HB THR 32 -8.217 -8.441 -6.659 231 HG1 THR 32 HG1 THR 32 -9.209 -5.788 -6.603 232 HG21 THR 32 HG21 THR 32 -10.900 -7.511 -7.349 233 HG22 THR 32 HG22 THR 32 -10.881 -8.678 -6.026 234 HG23 THR 32 HG23 THR 32 -10.157 -9.093 -7.580 235 H CYS 33 H CYS 33 -7.129 -9.226 -4.561 236 HA CYS 33 HA CYS 33 -8.826 -11.412 -3.702 237 HB2 CYS 33 HB2 CYS 33 -6.533 -11.342 -5.159 238 HB3 CYS 33 HB3 CYS 33 -5.893 -11.733 -3.566 239 H GLY 34 H GLY 34 -5.827 -9.998 -2.370 240 HA2 GLY 34 HA2 GLY 34 -6.159 -11.097 0.200 241 HA3 GLY 34 HA3 GLY 34 -5.116 -9.741 -0.203 242 H ALA 35 H ALA 35 -7.667 -8.398 -1.288 243 HA ALA 35 HA ALA 35 -9.240 -6.927 -0.549 244 HB1 ALA 35 HB1 ALA 35 -10.616 -7.513 1.241 245 HB2 ALA 35 HB2 ALA 35 -10.026 -9.062 0.637 246 HB3 ALA 35 HB3 ALA 35 -9.316 -8.353 2.087 247 H CYS 36 H CYS 36 -6.533 -6.249 -0.279 248 HA CYS 36 HA CYS 36 -5.874 -5.233 2.272 249 HB2 CYS 36 HB2 CYS 36 -4.132 -5.581 0.649 250 HB3 CYS 36 HB3 CYS 36 -4.905 -4.484 -0.490 Start of MODEL 14 1 H1 ALA 1 H ALA 1 2.304 0.072 0.530 2 HA ALA 1 HA ALA 1 2.200 0.532 -2.243 3 HB1 ALA 1 HB1 ALA 1 4.181 -1.292 -0.910 4 HB2 ALA 1 HB2 ALA 1 4.406 -0.273 -2.333 5 HB3 ALA 1 HB3 ALA 1 4.248 0.462 -0.737 6 H CYS 2 H CYS 2 0.070 -1.217 -1.382 7 HA CYS 2 HA CYS 2 0.742 -3.665 -2.879 8 HB2 CYS 2 HB2 CYS 2 -1.104 -3.169 -0.565 9 HB3 CYS 2 HB3 CYS 2 -1.401 -4.520 -1.655 10 H LYS 3 H LYS 3 0.307 -2.082 -4.721 11 HA LYS 3 HA LYS 3 -2.521 -1.606 -5.227 12 HB2 LYS 3 HB2 LYS 3 -0.118 -0.934 -6.934 13 HB3 LYS 3 HB3 LYS 3 -1.764 -0.372 -7.192 14 HG2 LYS 3 HG2 LYS 3 -0.338 0.219 -4.631 15 HG3 LYS 3 HG3 LYS 3 -0.062 1.202 -6.070 16 HD2 LYS 3 HD2 LYS 3 -2.842 0.637 -5.101 17 HD3 LYS 3 HD3 LYS 3 -1.883 1.938 -4.392 18 HE2 LYS 3 HE2 LYS 3 -1.582 2.900 -6.643 19 HE3 LYS 3 HE3 LYS 3 -2.607 1.628 -7.305 20 HZ1 LYS 3 HZ1 LYS 3 -4.478 2.531 -6.391 21 HZ2 LYS 3 HZ2 LYS 3 -3.594 3.944 -6.677 22 HZ3 LYS 3 HZ3 LYS 3 -3.652 3.284 -5.121 23 H ASP 4 H ASP 4 -3.732 -2.635 -6.748 24 HA ASP 4 HA ASP 4 -3.209 -5.252 -7.443 25 HB2 ASP 4 HB2 ASP 4 -4.938 -4.774 -9.332 26 HB3 ASP 4 HB3 ASP 4 -5.443 -4.635 -7.650 27 H VAL 5 H VAL 5 -1.613 -6.042 -8.634 28 HA VAL 5 HA VAL 5 -0.277 -4.450 -10.629 29 HB VAL 5 HB VAL 5 0.146 -7.381 -10.056 30 HG11 VAL 5 HG11 VAL 5 1.562 -7.187 -11.765 31 HG12 VAL 5 HG12 VAL 5 1.387 -5.432 -11.807 32 HG13 VAL 5 HG13 VAL 5 2.551 -6.178 -10.711 33 HG21 VAL 5 HG21 VAL 5 0.563 -6.564 -7.964 34 HG22 VAL 5 HG22 VAL 5 2.139 -6.287 -8.705 35 HG23 VAL 5 HG23 VAL 5 0.989 -4.958 -8.555 36 H PHE 6 H PHE 6 -2.281 -7.380 -10.615 37 HA PHE 6 HA PHE 6 -2.201 -7.754 -13.431 38 HB2 PHE 6 HB2 PHE 6 -3.664 -8.934 -11.145 39 HB3 PHE 6 HB3 PHE 6 -4.461 -9.056 -12.711 40 HD1 PHE 6 HD1 PHE 6 -0.811 -9.072 -12.244 41 HD2 PHE 6 HD2 PHE 6 -4.295 -11.412 -12.951 42 HE1 PHE 6 HE1 PHE 6 0.605 -11.004 -12.809 43 HE2 PHE 6 HE2 PHE 6 -2.886 -13.347 -13.516 44 HZ PHE 6 HZ PHE 6 -0.432 -13.145 -13.445 45 HA PRO 7 HA PRO 7 -5.272 -5.013 -14.944 46 HB2 PRO 7 HB2 PRO 7 -6.551 -6.528 -16.798 47 HB3 PRO 7 HB3 PRO 7 -4.912 -5.909 -17.028 48 HG2 PRO 7 HG2 PRO 7 -5.803 -8.631 -16.157 49 HG3 PRO 7 HG3 PRO 7 -4.528 -8.186 -17.306 50 HD2 PRO 7 HD2 PRO 7 -4.000 -8.904 -14.749 51 HD3 PRO 7 HD3 PRO 7 -3.008 -7.728 -15.634 52 H ALA 8 H ALA 8 -7.336 -4.354 -14.545 53 HA ALA 8 HA ALA 8 -8.859 -5.557 -12.565 54 HB1 ALA 8 HB1 ALA 8 -9.104 -3.218 -13.109 55 HB2 ALA 8 HB2 ALA 8 -9.742 -3.624 -14.703 56 HB3 ALA 8 HB3 ALA 8 -10.666 -4.024 -13.256 57 H ALA 9 H ALA 9 -9.000 -5.942 -16.055 58 HA ALA 9 HA ALA 9 -11.436 -7.174 -16.400 59 HB1 ALA 9 HB1 ALA 9 -8.863 -7.198 -17.816 60 HB2 ALA 9 HB2 ALA 9 -9.903 -8.588 -18.132 61 HB3 ALA 9 HB3 ALA 9 -10.498 -6.955 -18.430 62 H THR 10 H THR 10 -8.342 -8.781 -15.653 63 HA THR 10 HA THR 10 -9.567 -11.342 -15.298 64 HB THR 10 HB THR 10 -6.810 -10.345 -14.564 65 HG1 THR 10 HG1 THR 10 -7.934 -11.687 -16.781 66 HG21 THR 10 HG21 THR 10 -6.764 -13.125 -14.813 67 HG22 THR 10 HG22 THR 10 -8.181 -12.778 -13.823 68 HG23 THR 10 HG23 THR 10 -6.594 -12.190 -13.328 69 H CYS 11 H CYS 11 -8.172 -8.941 -13.070 70 HA CYS 11 HA CYS 11 -8.409 -10.154 -10.663 71 HB2 CYS 11 HB2 CYS 11 -9.166 -7.304 -11.337 72 HB3 CYS 11 HB3 CYS 11 -8.924 -7.904 -9.699 73 H ARG 12 H ARG 12 -11.033 -8.063 -11.877 74 HA ARG 12 HA ARG 12 -12.975 -8.816 -10.074 75 HB2 ARG 12 HB2 ARG 12 -14.618 -8.019 -11.701 76 HB3 ARG 12 HB3 ARG 12 -13.231 -6.940 -11.627 77 HG2 ARG 12 HG2 ARG 12 -12.419 -8.482 -13.633 78 HG3 ARG 12 HG3 ARG 12 -14.161 -8.692 -13.822 79 HD2 ARG 12 HD2 ARG 12 -12.730 -6.040 -13.688 80 HD3 ARG 12 HD3 ARG 12 -13.271 -6.827 -15.170 81 HE ARG 12 HE ARG 12 -14.864 -5.313 -13.360 82 HH11 ARG 12 HH11 ARG 12 -14.937 -8.019 -15.549 83 HH12 ARG 12 HH12 ARG 12 -16.634 -7.883 -15.868 84 HH21 ARG 12 HH21 ARG 12 -17.100 -5.123 -13.772 85 HH22 ARG 12 HH22 ARG 12 -17.863 -6.235 -14.857 86 H HIS 13 H HIS 13 -12.059 -10.377 -13.102 87 HA HIS 13 HA HIS 13 -14.120 -12.189 -13.398 88 HB2 HIS 13 HB2 HIS 13 -12.001 -11.756 -14.858 89 HB3 HIS 13 HB3 HIS 13 -11.283 -13.037 -13.886 90 HD1 HIS 13 HD1 HIS 13 -11.578 -13.554 -16.832 91 HD2 HIS 13 HD2 HIS 13 -14.550 -14.479 -14.080 92 HE1 HIS 13 HE1 HIS 13 -12.975 -15.336 -17.926 93 H ALA 14 H ALA 14 -11.182 -12.512 -11.435 94 HA ALA 14 HA ALA 14 -11.689 -15.127 -10.516 95 HB1 ALA 14 HB1 ALA 14 -10.249 -13.778 -8.514 96 HB2 ALA 14 HB2 ALA 14 -9.615 -14.815 -9.792 97 HB3 ALA 14 HB3 ALA 14 -9.745 -13.076 -10.052 98 H LYS 15 H LYS 15 -12.841 -12.004 -9.486 99 HA LYS 15 HA LYS 15 -13.892 -12.978 -6.977 100 HB2 LYS 15 HB2 LYS 15 -14.647 -10.370 -8.265 101 HB3 LYS 15 HB3 LYS 15 -14.568 -10.768 -6.554 102 HG2 LYS 15 HG2 LYS 15 -12.205 -10.489 -8.401 103 HG3 LYS 15 HG3 LYS 15 -12.750 -9.288 -7.227 104 HD2 LYS 15 HD2 LYS 15 -11.777 -12.077 -6.603 105 HD3 LYS 15 HD3 LYS 15 -10.879 -10.578 -6.345 106 HE2 LYS 15 HE2 LYS 15 -13.380 -11.511 -4.955 107 HE3 LYS 15 HE3 LYS 15 -11.797 -11.196 -4.247 108 HZ1 LYS 15 HZ1 LYS 15 -12.341 -8.819 -5.295 109 HZ2 LYS 15 HZ2 LYS 15 -12.765 -9.251 -3.716 110 HZ3 LYS 15 HZ3 LYS 15 -13.914 -9.338 -4.954 111 H SER 16 H SER 16 -14.953 -12.719 -10.237 112 HA SER 16 HA SER 16 -17.772 -12.887 -9.553 113 HB2 SER 16 HB2 SER 16 -16.530 -13.098 -12.300 114 HB3 SER 16 HB3 SER 16 -18.201 -12.699 -11.903 115 HG SER 16 HG SER 16 -17.245 -10.774 -12.285 116 H VAL 17 H VAL 17 -15.191 -14.939 -10.757 117 HA VAL 17 HA VAL 17 -17.023 -17.201 -11.027 118 HB VAL 17 HB VAL 17 -15.134 -18.408 -11.994 119 HG11 VAL 17 HG11 VAL 17 -14.690 -16.778 -13.938 120 HG12 VAL 17 HG12 VAL 17 -16.354 -17.276 -13.624 121 HG13 VAL 17 HG13 VAL 17 -15.788 -15.694 -13.085 122 HG21 VAL 17 HG21 VAL 17 -13.150 -16.600 -12.479 123 HG22 VAL 17 HG22 VAL 17 -13.631 -16.177 -10.835 124 HG23 VAL 17 HG23 VAL 17 -13.115 -17.822 -11.207 125 H GLY 18 H GLY 18 -14.376 -16.040 -9.041 126 HA2 GLY 18 HA2 GLY 18 -14.132 -16.664 -6.763 127 HA3 GLY 18 HA3 GLY 18 -14.975 -18.166 -7.112 128 H ASN 19 H ASN 19 -12.080 -16.545 -8.425 129 HA ASN 19 HA ASN 19 -10.660 -19.109 -8.165 130 HB2 ASN 19 HB2 ASN 19 -10.881 -17.278 -10.328 131 HB3 ASN 19 HB3 ASN 19 -9.209 -17.244 -9.776 132 HD21 ASN 19 HD21 ASN 19 -10.749 -18.420 -12.149 133 HD22 ASN 19 HD22 ASN 19 -10.129 -20.028 -12.268 134 H CYS 20 H CYS 20 -11.056 -16.476 -6.419 135 HA CYS 20 HA CYS 20 -8.511 -15.397 -5.970 136 HB2 CYS 20 HB2 CYS 20 -10.802 -14.566 -5.142 137 HB3 CYS 20 HB3 CYS 20 -10.587 -15.696 -3.809 138 H SER 21 H SER 21 -9.946 -18.378 -4.951 139 HA SER 21 HA SER 21 -8.358 -18.948 -2.709 140 HB2 SER 21 HB2 SER 21 -10.451 -20.184 -3.718 141 HB3 SER 21 HB3 SER 21 -9.229 -21.136 -4.561 142 HG SER 21 HG SER 21 -10.057 -21.684 -2.253 143 H SER 22 H SER 22 -7.754 -19.257 -6.139 144 HA SER 22 HA SER 22 -5.538 -20.968 -6.062 145 HB2 SER 22 HB2 SER 22 -5.914 -18.708 -8.032 146 HB3 SER 22 HB3 SER 22 -5.062 -20.231 -8.287 147 HG SER 22 HG SER 22 -7.087 -21.293 -8.066 148 H GLU 23 H GLU 23 -3.428 -19.707 -7.258 149 HA GLU 23 HA GLU 23 -2.556 -17.765 -5.219 150 HB2 GLU 23 HB2 GLU 23 -1.475 -19.968 -4.936 151 HB3 GLU 23 HB3 GLU 23 -0.869 -19.871 -6.583 152 HG2 GLU 23 HG2 GLU 23 0.451 -17.913 -5.996 153 HG3 GLU 23 HG3 GLU 23 -0.171 -17.980 -4.348 154 H LYS 24 H LYS 24 -2.420 -18.776 -8.576 155 HA LYS 24 HA LYS 24 -0.590 -17.008 -9.631 156 HB2 LYS 24 HB2 LYS 24 -1.623 -18.729 -10.986 157 HB3 LYS 24 HB3 LYS 24 -3.198 -17.965 -10.822 158 HG2 LYS 24 HG2 LYS 24 -2.567 -16.146 -12.188 159 HG3 LYS 24 HG3 LYS 24 -0.862 -16.598 -12.125 160 HD2 LYS 24 HD2 LYS 24 -1.200 -18.470 -13.513 161 HD3 LYS 24 HD3 LYS 24 -2.951 -18.410 -13.303 162 HE2 LYS 24 HE2 LYS 24 -2.151 -17.589 -15.519 163 HE3 LYS 24 HE3 LYS 24 -3.109 -16.418 -14.613 164 HZ1 LYS 24 HZ1 LYS 24 -0.925 -15.672 -15.734 165 HZ2 LYS 24 HZ2 LYS 24 -0.173 -16.391 -14.401 166 HZ3 LYS 24 HZ3 LYS 24 -1.272 -15.126 -14.171 167 H TYR 25 H TYR 25 -3.891 -16.405 -8.613 168 HA TYR 25 HA TYR 25 -3.502 -13.551 -9.238 169 HB2 TYR 25 HB2 TYR 25 -6.273 -14.158 -8.878 170 HB3 TYR 25 HB3 TYR 25 -5.460 -13.544 -10.313 171 HD1 TYR 25 HD1 TYR 25 -4.651 -15.107 -12.043 172 HD2 TYR 25 HD2 TYR 25 -6.887 -16.468 -8.688 173 HE1 TYR 25 HE1 TYR 25 -5.092 -17.230 -13.205 174 HE2 TYR 25 HE2 TYR 25 -7.334 -18.594 -9.841 175 HH TYR 25 HH TYR 25 -6.724 -19.052 -13.154 176 H LYS 26 H LYS 26 -2.687 -14.903 -6.826 177 HA LYS 26 HA LYS 26 -4.448 -13.544 -4.892 178 HB2 LYS 26 HB2 LYS 26 -3.889 -16.276 -5.016 179 HB3 LYS 26 HB3 LYS 26 -2.861 -15.674 -3.723 180 HG2 LYS 26 HG2 LYS 26 -5.723 -14.864 -3.766 181 HG3 LYS 26 HG3 LYS 26 -5.303 -16.498 -3.246 182 HD2 LYS 26 HD2 LYS 26 -3.574 -14.522 -2.031 183 HD3 LYS 26 HD3 LYS 26 -5.274 -14.187 -1.693 184 HE2 LYS 26 HE2 LYS 26 -5.587 -16.378 -0.778 185 HE3 LYS 26 HE3 LYS 26 -3.977 -16.878 -1.294 186 HZ1 LYS 26 HZ1 LYS 26 -4.235 -16.266 1.118 187 HZ2 LYS 26 HZ2 LYS 26 -4.415 -14.661 0.619 188 HZ3 LYS 26 HZ3 LYS 26 -2.976 -15.490 0.296 189 H ARG 27 H ARG 27 -2.108 -12.508 -6.292 190 HA ARG 27 HA ARG 27 -0.612 -11.657 -3.945 191 HB2 ARG 27 HB2 ARG 27 1.558 -11.983 -5.237 192 HB3 ARG 27 HB3 ARG 27 0.800 -13.433 -4.594 193 HG2 ARG 27 HG2 ARG 27 -0.210 -13.805 -6.851 194 HG3 ARG 27 HG3 ARG 27 0.780 -12.468 -7.441 195 HD2 ARG 27 HD2 ARG 27 2.598 -13.752 -7.557 196 HD3 ARG 27 HD3 ARG 27 2.344 -14.376 -5.927 197 HE ARG 27 HE ARG 27 0.511 -15.713 -7.409 198 HH11 ARG 27 HH11 ARG 27 3.947 -15.226 -7.693 199 HH12 ARG 27 HH12 ARG 27 4.230 -16.747 -8.471 200 HH21 ARG 27 HH21 ARG 27 0.872 -17.720 -8.433 201 HH22 ARG 27 HH22 ARG 27 2.480 -18.165 -8.893 202 H ASN 28 H ASN 28 -0.852 -11.410 -7.488 203 HA ASN 28 HA ASN 28 0.245 -8.825 -7.687 204 HB2 ASN 28 HB2 ASN 28 -1.193 -8.850 -9.893 205 HB3 ASN 28 HB3 ASN 28 0.204 -9.909 -9.728 206 HD21 ASN 28 HD21 ASN 28 -0.072 -12.073 -9.734 207 HD22 ASN 28 HD22 ASN 28 -1.599 -12.854 -9.939 208 H CYS 29 H CYS 29 -3.177 -9.764 -8.083 209 HA CYS 29 HA CYS 29 -4.033 -7.049 -7.604 210 HB2 CYS 29 HB2 CYS 29 -5.092 -9.242 -8.962 211 HB3 CYS 29 HB3 CYS 29 -6.154 -9.036 -7.573 212 H ALA 30 H ALA 30 -2.758 -7.552 -5.395 213 HA ALA 30 HA ALA 30 -3.857 -8.951 -3.309 214 HB1 ALA 30 HB1 ALA 30 -1.723 -7.529 -3.384 215 HB2 ALA 30 HB2 ALA 30 -2.761 -6.193 -2.884 216 HB3 ALA 30 HB3 ALA 30 -2.605 -7.620 -1.860 217 H ILE 31 H ILE 31 -4.727 -5.684 -4.390 218 HA ILE 31 HA ILE 31 -6.594 -5.102 -2.392 219 HB ILE 31 HB ILE 31 -6.609 -4.177 -5.268 220 HG12 ILE 31 HG12 ILE 31 -5.427 -2.898 -2.792 221 HG13 ILE 31 HG13 ILE 31 -4.508 -3.676 -4.075 222 HG21 ILE 31 HG21 ILE 31 -7.958 -3.015 -2.834 223 HG22 ILE 31 HG22 ILE 31 -7.927 -2.287 -4.439 224 HG23 ILE 31 HG23 ILE 31 -8.759 -3.821 -4.183 225 HD11 ILE 31 HD11 ILE 31 -4.436 -1.281 -4.323 226 HD12 ILE 31 HD12 ILE 31 -5.342 -1.995 -5.658 227 HD13 ILE 31 HD13 ILE 31 -6.197 -1.201 -4.336 228 H THR 32 H THR 32 -7.434 -5.929 -5.756 229 HA THR 32 HA THR 32 -10.083 -6.421 -5.496 230 HB THR 32 HB THR 32 -8.130 -8.032 -7.148 231 HG1 THR 32 HG1 THR 32 -9.751 -5.756 -7.714 232 HG21 THR 32 HG21 THR 32 -9.855 -9.374 -7.618 233 HG22 THR 32 HG22 THR 32 -10.598 -7.995 -8.430 234 HG23 THR 32 HG23 THR 32 -10.983 -8.339 -6.743 235 H CYS 33 H CYS 33 -7.740 -9.112 -5.408 236 HA CYS 33 HA CYS 33 -9.449 -11.051 -4.440 237 HB2 CYS 33 HB2 CYS 33 -6.731 -10.881 -5.017 238 HB3 CYS 33 HB3 CYS 33 -6.781 -11.330 -3.316 239 H GLY 34 H GLY 34 -7.662 -8.590 -2.675 240 HA2 GLY 34 HA2 GLY 34 -8.224 -7.712 -0.585 241 HA3 GLY 34 HA3 GLY 34 -9.368 -9.028 -0.365 242 H ALA 35 H ALA 35 -5.885 -9.088 -1.066 243 HA ALA 35 HA ALA 35 -5.533 -10.897 1.209 244 HB1 ALA 35 HB1 ALA 35 -4.134 -10.468 -1.353 245 HB2 ALA 35 HB2 ALA 35 -3.122 -10.902 0.025 246 HB3 ALA 35 HB3 ALA 35 -4.447 -11.958 -0.462 247 H CYS 36 H CYS 36 -3.690 -8.210 -0.256 248 HA CYS 36 HA CYS 36 -2.461 -7.637 2.312 249 HB2 CYS 36 HB2 CYS 36 -1.068 -7.583 0.303 250 HB3 CYS 36 HB3 CYS 36 -2.098 -6.338 -0.396 Start of MODEL 15 1 H1 ALA 1 H ALA 1 2.511 -0.849 -0.174 2 HA ALA 1 HA ALA 1 2.260 0.511 -2.773 3 HB1 ALA 1 HB1 ALA 1 4.273 -1.664 -2.277 4 HB2 ALA 1 HB2 ALA 1 4.167 -0.553 -3.643 5 HB3 ALA 1 HB3 ALA 1 4.656 0.043 -2.057 6 H CYS 2 H CYS 2 0.290 -1.021 -1.330 7 HA CYS 2 HA CYS 2 0.165 -3.616 -2.605 8 HB2 CYS 2 HB2 CYS 2 -1.596 -2.136 -0.668 9 HB3 CYS 2 HB3 CYS 2 -2.154 -3.609 -1.455 10 H LYS 3 H LYS 3 0.273 -2.477 -4.769 11 HA LYS 3 HA LYS 3 -2.385 -1.563 -5.634 12 HB2 LYS 3 HB2 LYS 3 0.349 -1.174 -6.858 13 HB3 LYS 3 HB3 LYS 3 -1.148 -0.714 -7.657 14 HG2 LYS 3 HG2 LYS 3 -0.227 0.351 -4.996 15 HG3 LYS 3 HG3 LYS 3 -0.014 1.171 -6.544 16 HD2 LYS 3 HD2 LYS 3 -2.521 1.038 -6.818 17 HD3 LYS 3 HD3 LYS 3 -2.593 0.513 -5.135 18 HE2 LYS 3 HE2 LYS 3 -2.984 2.896 -5.268 19 HE3 LYS 3 HE3 LYS 3 -1.445 2.587 -4.466 20 HZ1 LYS 3 HZ1 LYS 3 -1.700 3.266 -7.343 21 HZ2 LYS 3 HZ2 LYS 3 -0.273 3.161 -6.442 22 HZ3 LYS 3 HZ3 LYS 3 -1.379 4.402 -6.132 23 H ASP 4 H ASP 4 -3.573 -2.793 -6.944 24 HA ASP 4 HA ASP 4 -3.021 -5.437 -7.505 25 HB2 ASP 4 HB2 ASP 4 -4.767 -5.072 -9.409 26 HB3 ASP 4 HB3 ASP 4 -5.263 -4.869 -7.731 27 H VAL 5 H VAL 5 -1.452 -6.290 -8.686 28 HA VAL 5 HA VAL 5 -0.124 -4.783 -10.752 29 HB VAL 5 HB VAL 5 0.291 -7.691 -10.063 30 HG11 VAL 5 HG11 VAL 5 2.619 -6.186 -10.853 31 HG12 VAL 5 HG12 VAL 5 1.941 -7.657 -11.554 32 HG13 VAL 5 HG13 VAL 5 1.355 -6.077 -12.077 33 HG21 VAL 5 HG21 VAL 5 1.250 -5.202 -8.716 34 HG22 VAL 5 HG22 VAL 5 0.665 -6.707 -8.006 35 HG23 VAL 5 HG23 VAL 5 2.270 -6.641 -8.734 36 H PHE 6 H PHE 6 -2.409 -7.442 -10.570 37 HA PHE 6 HA PHE 6 -2.265 -8.047 -13.378 38 HB2 PHE 6 HB2 PHE 6 -3.810 -9.036 -11.043 39 HB3 PHE 6 HB3 PHE 6 -4.547 -9.249 -12.628 40 HD1 PHE 6 HD1 PHE 6 -0.918 -9.310 -12.042 41 HD2 PHE 6 HD2 PHE 6 -4.435 -11.625 -12.664 42 HE1 PHE 6 HE1 PHE 6 0.467 -11.309 -12.413 43 HE2 PHE 6 HE2 PHE 6 -3.055 -13.628 -13.036 44 HZ PHE 6 HZ PHE 6 -0.601 -13.471 -12.911 45 HA PRO 7 HA PRO 7 -5.236 -5.265 -15.011 46 HB2 PRO 7 HB2 PRO 7 -6.591 -6.818 -16.778 47 HB3 PRO 7 HB3 PRO 7 -4.930 -6.280 -17.050 48 HG2 PRO 7 HG2 PRO 7 -5.926 -8.914 -16.035 49 HG3 PRO 7 HG3 PRO 7 -4.642 -8.581 -17.212 50 HD2 PRO 7 HD2 PRO 7 -4.124 -9.190 -14.625 51 HD3 PRO 7 HD3 PRO 7 -3.091 -8.103 -15.576 52 H ALA 8 H ALA 8 -7.175 -4.463 -14.441 53 HA ALA 8 HA ALA 8 -8.757 -5.572 -12.471 54 HB1 ALA 8 HB1 ALA 8 -10.322 -3.845 -12.886 55 HB2 ALA 8 HB2 ALA 8 -8.734 -3.178 -13.265 56 HB3 ALA 8 HB3 ALA 8 -9.810 -3.687 -14.566 57 H ALA 9 H ALA 9 -9.055 -5.863 -15.972 58 HA ALA 9 HA ALA 9 -11.563 -6.971 -16.222 59 HB1 ALA 9 HB1 ALA 9 -9.059 -7.112 -17.772 60 HB2 ALA 9 HB2 ALA 9 -10.245 -8.376 -18.098 61 HB3 ALA 9 HB3 ALA 9 -10.691 -6.680 -18.283 62 H THR 10 H THR 10 -8.511 -8.680 -15.569 63 HA THR 10 HA THR 10 -9.767 -11.236 -15.329 64 HB THR 10 HB THR 10 -7.021 -10.308 -14.471 65 HG1 THR 10 HG1 THR 10 -8.061 -11.564 -16.790 66 HG21 THR 10 HG21 THR 10 -7.048 -13.083 -14.916 67 HG22 THR 10 HG22 THR 10 -8.436 -12.739 -13.883 68 HG23 THR 10 HG23 THR 10 -6.820 -12.242 -13.383 69 H CYS 11 H CYS 11 -8.413 -8.928 -12.983 70 HA CYS 11 HA CYS 11 -8.707 -10.227 -10.629 71 HB2 CYS 11 HB2 CYS 11 -9.529 -7.359 -11.135 72 HB3 CYS 11 HB3 CYS 11 -9.133 -8.052 -9.566 73 H ARG 12 H ARG 12 -11.299 -8.088 -11.828 74 HA ARG 12 HA ARG 12 -13.284 -8.887 -10.098 75 HB2 ARG 12 HB2 ARG 12 -14.888 -8.055 -11.752 76 HB3 ARG 12 HB3 ARG 12 -13.508 -6.974 -11.607 77 HG2 ARG 12 HG2 ARG 12 -12.561 -8.226 -13.633 78 HG3 ARG 12 HG3 ARG 12 -14.203 -8.841 -13.842 79 HD2 ARG 12 HD2 ARG 12 -13.522 -5.914 -13.633 80 HD3 ARG 12 HD3 ARG 12 -13.660 -6.779 -15.163 81 HE ARG 12 HE ARG 12 -16.016 -7.305 -13.949 82 HH11 ARG 12 HH11 ARG 12 -14.276 -4.363 -14.612 83 HH12 ARG 12 HH12 ARG 12 -15.707 -3.396 -14.754 84 HH21 ARG 12 HH21 ARG 12 -17.906 -6.042 -14.134 85 HH22 ARG 12 HH22 ARG 12 -17.771 -4.351 -14.481 86 H HIS 13 H HIS 13 -12.264 -10.395 -13.114 87 HA HIS 13 HA HIS 13 -14.353 -12.219 -13.430 88 HB2 HIS 13 HB2 HIS 13 -12.281 -11.647 -14.949 89 HB3 HIS 13 HB3 HIS 13 -11.548 -13.011 -14.109 90 HD1 HIS 13 HD1 HIS 13 -14.690 -12.272 -16.120 91 HD2 HIS 13 HD2 HIS 13 -12.113 -15.408 -15.236 92 HE1 HIS 13 HE1 HIS 13 -15.470 -14.202 -17.531 93 H ALA 14 H ALA 14 -11.445 -12.372 -11.453 94 HA ALA 14 HA ALA 14 -11.757 -15.096 -10.684 95 HB1 ALA 14 HB1 ALA 14 -10.312 -13.659 -8.702 96 HB2 ALA 14 HB2 ALA 14 -9.698 -14.765 -9.932 97 HB3 ALA 14 HB3 ALA 14 -9.847 -13.044 -10.289 98 H LYS 15 H LYS 15 -12.846 -12.024 -9.373 99 HA LYS 15 HA LYS 15 -13.787 -13.114 -6.899 100 HB2 LYS 15 HB2 LYS 15 -14.731 -10.539 -8.143 101 HB3 LYS 15 HB3 LYS 15 -14.632 -10.952 -6.437 102 HG2 LYS 15 HG2 LYS 15 -12.289 -10.522 -8.280 103 HG3 LYS 15 HG3 LYS 15 -12.893 -9.373 -7.084 104 HD2 LYS 15 HD2 LYS 15 -11.944 -12.148 -6.391 105 HD3 LYS 15 HD3 LYS 15 -10.896 -10.727 -6.367 106 HE2 LYS 15 HE2 LYS 15 -12.136 -9.721 -4.631 107 HE3 LYS 15 HE3 LYS 15 -13.478 -10.846 -4.832 108 HZ1 LYS 15 HZ1 LYS 15 -12.543 -11.983 -3.183 109 HZ2 LYS 15 HZ2 LYS 15 -11.089 -11.124 -3.280 110 HZ3 LYS 15 HZ3 LYS 15 -11.353 -12.456 -4.290 111 H SER 16 H SER 16 -15.075 -12.768 -10.094 112 HA SER 16 HA SER 16 -17.812 -13.237 -9.230 113 HB2 SER 16 HB2 SER 16 -16.767 -13.107 -12.064 114 HB3 SER 16 HB3 SER 16 -18.434 -12.909 -11.524 115 HG SER 16 HG SER 16 -17.980 -10.871 -11.391 116 H VAL 17 H VAL 17 -15.385 -14.862 -11.265 117 HA VAL 17 HA VAL 17 -16.950 -17.247 -11.527 118 HB VAL 17 HB VAL 17 -15.123 -16.363 -13.127 119 HG11 VAL 17 HG11 VAL 17 -13.449 -16.353 -11.159 120 HG12 VAL 17 HG12 VAL 17 -13.302 -18.082 -11.485 121 HG13 VAL 17 HG13 VAL 17 -12.900 -16.909 -12.740 122 HG21 VAL 17 HG21 VAL 17 -14.551 -18.698 -13.808 123 HG22 VAL 17 HG22 VAL 17 -15.337 -19.263 -12.334 124 HG23 VAL 17 HG23 VAL 17 -16.274 -18.414 -13.563 125 H GLY 18 H GLY 18 -14.599 -16.061 -9.271 126 HA2 GLY 18 HA2 GLY 18 -14.229 -16.933 -7.128 127 HA3 GLY 18 HA3 GLY 18 -15.002 -18.431 -7.628 128 H ASN 19 H ASN 19 -12.223 -16.602 -8.903 129 HA ASN 19 HA ASN 19 -10.692 -19.100 -8.920 130 HB2 ASN 19 HB2 ASN 19 -10.900 -16.893 -10.719 131 HB3 ASN 19 HB3 ASN 19 -9.239 -16.977 -10.140 132 HD21 ASN 19 HD21 ASN 19 -11.227 -17.969 -12.509 133 HD22 ASN 19 HD22 ASN 19 -10.423 -19.418 -12.997 134 H CYS 20 H CYS 20 -11.008 -16.191 -7.201 135 HA CYS 20 HA CYS 20 -8.484 -15.502 -6.392 136 HB2 CYS 20 HB2 CYS 20 -10.719 -14.463 -5.717 137 HB3 CYS 20 HB3 CYS 20 -10.785 -15.686 -4.452 138 H SER 21 H SER 21 -10.368 -18.289 -5.434 139 HA SER 21 HA SER 21 -9.098 -19.131 -3.152 140 HB2 SER 21 HB2 SER 21 -10.434 -20.543 -5.410 141 HB3 SER 21 HB3 SER 21 -9.490 -21.518 -4.284 142 HG SER 21 HG SER 21 -11.461 -21.438 -3.376 143 H SER 22 H SER 22 -7.954 -19.296 -6.461 144 HA SER 22 HA SER 22 -5.776 -21.044 -6.012 145 HB2 SER 22 HB2 SER 22 -5.752 -18.904 -8.124 146 HB3 SER 22 HB3 SER 22 -5.100 -20.541 -8.200 147 HG SER 22 HG SER 22 -6.924 -20.996 -9.133 148 H GLU 23 H GLU 23 -3.539 -19.804 -6.979 149 HA GLU 23 HA GLU 23 -2.969 -17.757 -4.936 150 HB2 GLU 23 HB2 GLU 23 -1.866 -19.826 -4.334 151 HB3 GLU 23 HB3 GLU 23 -1.182 -19.974 -5.946 152 HG2 GLU 23 HG2 GLU 23 0.228 -18.076 -5.595 153 HG3 GLU 23 HG3 GLU 23 -0.556 -17.719 -4.058 154 H LYS 24 H LYS 24 -2.468 -18.864 -8.215 155 HA LYS 24 HA LYS 24 -0.512 -17.167 -9.135 156 HB2 LYS 24 HB2 LYS 24 -1.424 -18.862 -10.572 157 HB3 LYS 24 HB3 LYS 24 -3.021 -18.128 -10.514 158 HG2 LYS 24 HG2 LYS 24 -2.344 -16.309 -11.852 159 HG3 LYS 24 HG3 LYS 24 -0.636 -16.714 -11.667 160 HD2 LYS 24 HD2 LYS 24 -1.028 -18.809 -12.909 161 HD3 LYS 24 HD3 LYS 24 -2.713 -18.336 -13.139 162 HE2 LYS 24 HE2 LYS 24 -0.601 -16.418 -13.967 163 HE3 LYS 24 HE3 LYS 24 -0.847 -17.852 -14.963 164 HZ1 LYS 24 HZ1 LYS 24 -3.111 -17.256 -15.306 165 HZ2 LYS 24 HZ2 LYS 24 -2.173 -15.892 -15.652 166 HZ3 LYS 24 HZ3 LYS 24 -3.021 -15.986 -14.192 167 H TYR 25 H TYR 25 -3.850 -16.437 -8.383 168 HA TYR 25 HA TYR 25 -3.323 -13.612 -9.038 169 HB2 TYR 25 HB2 TYR 25 -6.131 -14.109 -8.936 170 HB3 TYR 25 HB3 TYR 25 -5.161 -13.578 -10.305 171 HD1 TYR 25 HD1 TYR 25 -4.220 -15.252 -11.875 172 HD2 TYR 25 HD2 TYR 25 -6.903 -16.361 -8.765 173 HE1 TYR 25 HE1 TYR 25 -4.640 -17.394 -13.009 174 HE2 TYR 25 HE2 TYR 25 -7.329 -18.507 -9.889 175 HH TYR 25 HH TYR 25 -6.265 -19.142 -13.099 176 H LYS 26 H LYS 26 -2.820 -15.002 -6.534 177 HA LYS 26 HA LYS 26 -4.733 -13.587 -4.795 178 HB2 LYS 26 HB2 LYS 26 -4.298 -16.269 -4.805 179 HB3 LYS 26 HB3 LYS 26 -3.119 -15.754 -3.606 180 HG2 LYS 26 HG2 LYS 26 -5.294 -14.381 -2.781 181 HG3 LYS 26 HG3 LYS 26 -6.051 -15.819 -3.470 182 HD2 LYS 26 HD2 LYS 26 -3.700 -16.267 -1.733 183 HD3 LYS 26 HD3 LYS 26 -5.167 -15.690 -0.940 184 HE2 LYS 26 HE2 LYS 26 -6.300 -17.583 -2.357 185 HE3 LYS 26 HE3 LYS 26 -4.668 -18.246 -2.397 186 HZ1 LYS 26 HZ1 LYS 26 -5.757 -17.409 0.189 187 HZ2 LYS 26 HZ2 LYS 26 -4.681 -18.663 -0.173 188 HZ3 LYS 26 HZ3 LYS 26 -6.333 -18.850 -0.486 189 H ARG 27 H ARG 27 -2.401 -12.410 -5.973 190 HA ARG 27 HA ARG 27 -1.131 -11.467 -3.553 191 HB2 ARG 27 HB2 ARG 27 1.176 -11.815 -4.568 192 HB3 ARG 27 HB3 ARG 27 0.373 -13.247 -3.938 193 HG2 ARG 27 HG2 ARG 27 -0.361 -13.763 -6.269 194 HG3 ARG 27 HG3 ARG 27 0.660 -12.432 -6.818 195 HD2 ARG 27 HD2 ARG 27 1.518 -14.952 -5.409 196 HD3 ARG 27 HD3 ARG 27 1.901 -14.459 -7.058 197 HE ARG 27 HE ARG 27 3.252 -13.665 -4.671 198 HH11 ARG 27 HH11 ARG 27 2.388 -12.646 -7.886 199 HH12 ARG 27 HH12 ARG 27 3.720 -11.548 -8.036 200 HH21 ARG 27 HH21 ARG 27 5.009 -12.223 -4.857 201 HH22 ARG 27 HH22 ARG 27 5.211 -11.309 -6.313 202 H ASN 28 H ASN 28 -0.986 -11.424 -7.109 203 HA ASN 28 HA ASN 28 0.107 -8.851 -7.362 204 HB2 ASN 28 HB2 ASN 28 -1.162 -9.004 -9.670 205 HB3 ASN 28 HB3 ASN 28 0.227 -10.036 -9.339 206 HD21 ASN 28 HD21 ASN 28 -0.031 -12.200 -9.249 207 HD22 ASN 28 HD22 ASN 28 -1.532 -13.009 -9.526 208 H CYS 29 H CYS 29 -3.274 -9.801 -8.004 209 HA CYS 29 HA CYS 29 -4.148 -7.064 -7.719 210 HB2 CYS 29 HB2 CYS 29 -5.062 -9.128 -9.215 211 HB3 CYS 29 HB3 CYS 29 -6.165 -9.224 -7.846 212 H ALA 30 H ALA 30 -3.078 -7.511 -5.381 213 HA ALA 30 HA ALA 30 -4.516 -8.804 -3.386 214 HB1 ALA 30 HB1 ALA 30 -3.279 -7.529 -1.818 215 HB2 ALA 30 HB2 ALA 30 -2.219 -7.784 -3.205 216 HB3 ALA 30 HB3 ALA 30 -3.017 -6.227 -2.979 217 H ILE 31 H ILE 31 -4.800 -5.451 -4.529 218 HA ILE 31 HA ILE 31 -6.674 -4.497 -2.743 219 HB ILE 31 HB ILE 31 -6.450 -3.878 -5.690 220 HG12 ILE 31 HG12 ILE 31 -5.330 -2.489 -3.245 221 HG13 ILE 31 HG13 ILE 31 -4.406 -3.414 -4.424 222 HG21 ILE 31 HG21 ILE 31 -7.632 -1.786 -5.133 223 HG22 ILE 31 HG22 ILE 31 -8.629 -3.217 -4.879 224 HG23 ILE 31 HG23 ILE 31 -7.899 -2.397 -3.500 225 HD11 ILE 31 HD11 ILE 31 -4.132 -1.056 -4.817 226 HD12 ILE 31 HD12 ILE 31 -5.031 -1.781 -6.151 227 HD13 ILE 31 HD13 ILE 31 -5.879 -0.840 -4.925 228 H THR 32 H THR 32 -7.125 -6.618 -5.489 229 HA THR 32 HA THR 32 -10.024 -6.497 -5.272 230 HB THR 32 HB THR 32 -8.240 -8.101 -7.111 231 HG1 THR 32 HG1 THR 32 -9.942 -5.873 -7.633 232 HG21 THR 32 HG21 THR 32 -11.022 -8.425 -6.458 233 HG22 THR 32 HG22 THR 32 -10.015 -9.376 -7.549 234 HG23 THR 32 HG23 THR 32 -10.846 -7.939 -8.144 235 H CYS 33 H CYS 33 -7.655 -9.168 -5.339 236 HA CYS 33 HA CYS 33 -9.387 -11.077 -4.226 237 HB2 CYS 33 HB2 CYS 33 -6.699 -10.988 -5.145 238 HB3 CYS 33 HB3 CYS 33 -6.683 -11.700 -3.535 239 H GLY 34 H GLY 34 -6.497 -9.743 -2.614 240 HA2 GLY 34 HA2 GLY 34 -7.130 -8.543 -0.432 241 HA3 GLY 34 HA3 GLY 34 -7.908 -10.071 -0.049 242 H ALA 35 H ALA 35 -4.763 -9.267 -1.516 243 HA ALA 35 HA ALA 35 -3.451 -11.294 0.043 244 HB1 ALA 35 HB1 ALA 35 -1.826 -11.142 -1.482 245 HB2 ALA 35 HB2 ALA 35 -2.933 -10.093 -2.369 246 HB3 ALA 35 HB3 ALA 35 -1.709 -9.390 -1.312 247 H CYS 36 H CYS 36 -3.698 -7.786 0.106 248 HA CYS 36 HA CYS 36 -2.668 -7.774 2.822 249 HB2 CYS 36 HB2 CYS 36 -1.125 -5.847 2.264 250 HB3 CYS 36 HB3 CYS 36 -0.611 -7.425 1.673 Start of MODEL 16 1 H1 ALA 1 H ALA 1 3.217 0.835 -0.674 2 HA ALA 1 HA ALA 1 0.754 0.129 0.678 3 HB1 ALA 1 HB1 ALA 1 -0.300 1.746 -0.777 4 HB2 ALA 1 HB2 ALA 1 1.169 2.436 -0.087 5 HB3 ALA 1 HB3 ALA 1 1.164 1.863 -1.754 6 H CYS 2 H CYS 2 -0.856 -1.154 -0.095 7 HA CYS 2 HA CYS 2 -0.185 -3.138 -2.012 8 HB2 CYS 2 HB2 CYS 2 -2.946 -2.523 -0.954 9 HB3 CYS 2 HB3 CYS 2 -2.358 -4.057 -1.588 10 H LYS 3 H LYS 3 -0.853 -3.433 -4.100 11 HA LYS 3 HA LYS 3 -2.735 -1.623 -5.335 12 HB2 LYS 3 HB2 LYS 3 -1.178 -0.805 -7.042 13 HB3 LYS 3 HB3 LYS 3 -0.683 -0.298 -5.432 14 HG2 LYS 3 HG2 LYS 3 1.331 -0.978 -6.189 15 HG3 LYS 3 HG3 LYS 3 0.747 -2.541 -5.612 16 HD2 LYS 3 HD2 LYS 3 1.382 -3.161 -7.708 17 HD3 LYS 3 HD3 LYS 3 -0.261 -2.628 -8.074 18 HE2 LYS 3 HE2 LYS 3 0.667 -0.385 -8.635 19 HE3 LYS 3 HE3 LYS 3 2.285 -1.048 -8.417 20 HZ1 LYS 3 HZ1 LYS 3 0.368 -2.279 -10.296 21 HZ2 LYS 3 HZ2 LYS 3 2.053 -2.420 -10.263 22 HZ3 LYS 3 HZ3 LYS 3 1.336 -0.972 -10.765 23 H ASP 4 H ASP 4 -3.770 -2.580 -6.990 24 HA ASP 4 HA ASP 4 -3.333 -5.329 -7.521 25 HB2 ASP 4 HB2 ASP 4 -5.051 -4.911 -9.370 26 HB3 ASP 4 HB3 ASP 4 -5.563 -4.582 -7.717 27 H VAL 5 H VAL 5 -1.691 -6.099 -8.665 28 HA VAL 5 HA VAL 5 -0.332 -4.500 -10.640 29 HB VAL 5 HB VAL 5 0.078 -7.388 -9.850 30 HG11 VAL 5 HG11 VAL 5 1.378 -7.544 -11.646 31 HG12 VAL 5 HG12 VAL 5 1.137 -5.838 -12.030 32 HG13 VAL 5 HG13 VAL 5 2.427 -6.322 -10.929 33 HG21 VAL 5 HG21 VAL 5 1.868 -6.636 -8.482 34 HG22 VAL 5 HG22 VAL 5 1.749 -4.993 -9.114 35 HG23 VAL 5 HG23 VAL 5 0.470 -5.636 -8.085 36 H PHE 6 H PHE 6 -2.572 -7.206 -10.614 37 HA PHE 6 HA PHE 6 -2.361 -7.645 -13.459 38 HB2 PHE 6 HB2 PHE 6 -3.861 -8.874 -11.204 39 HB3 PHE 6 HB3 PHE 6 -4.552 -9.042 -12.815 40 HD1 PHE 6 HD1 PHE 6 -0.937 -8.865 -12.259 41 HD2 PHE 6 HD2 PHE 6 -4.279 -11.427 -12.877 42 HE1 PHE 6 HE1 PHE 6 0.589 -10.741 -12.712 43 HE2 PHE 6 HE2 PHE 6 -2.758 -13.307 -13.330 44 HZ PHE 6 HZ PHE 6 -0.320 -12.965 -13.250 45 HA PRO 7 HA PRO 7 -5.489 -4.930 -14.903 46 HB2 PRO 7 HB2 PRO 7 -6.717 -6.422 -16.809 47 HB3 PRO 7 HB3 PRO 7 -5.094 -5.753 -17.011 48 HG2 PRO 7 HG2 PRO 7 -5.917 -8.522 -16.227 49 HG3 PRO 7 HG3 PRO 7 -4.647 -8.009 -17.354 50 HD2 PRO 7 HD2 PRO 7 -4.114 -8.790 -14.817 51 HD3 PRO 7 HD3 PRO 7 -3.150 -7.561 -15.660 52 H ALA 8 H ALA 8 -7.667 -4.402 -14.729 53 HA ALA 8 HA ALA 8 -9.147 -5.604 -12.697 54 HB1 ALA 8 HB1 ALA 8 -10.803 -4.207 -14.639 55 HB2 ALA 8 HB2 ALA 8 -10.485 -3.836 -12.944 56 HB3 ALA 8 HB3 ALA 8 -9.357 -3.302 -14.190 57 H ALA 9 H ALA 9 -9.439 -5.937 -16.218 58 HA ALA 9 HA ALA 9 -11.713 -7.524 -16.329 59 HB1 ALA 9 HB1 ALA 9 -9.289 -7.469 -18.115 60 HB2 ALA 9 HB2 ALA 9 -10.755 -8.379 -18.484 61 HB3 ALA 9 HB3 ALA 9 -10.820 -6.622 -18.341 62 H THR 10 H THR 10 -8.502 -8.323 -15.313 63 HA THR 10 HA THR 10 -9.142 -11.189 -15.308 64 HB THR 10 HB THR 10 -6.480 -9.844 -14.803 65 HG1 THR 10 HG1 THR 10 -6.004 -10.617 -16.919 66 HG21 THR 10 HG21 THR 10 -7.431 -12.564 -14.458 67 HG22 THR 10 HG22 THR 10 -5.909 -11.831 -13.953 68 HG23 THR 10 HG23 THR 10 -6.078 -12.478 -15.585 69 H CYS 11 H CYS 11 -8.975 -8.479 -13.272 70 HA CYS 11 HA CYS 11 -8.426 -9.992 -10.855 71 HB2 CYS 11 HB2 CYS 11 -9.000 -7.084 -11.402 72 HB3 CYS 11 HB3 CYS 11 -8.903 -7.725 -9.766 73 H ARG 12 H ARG 12 -11.132 -8.150 -12.242 74 HA ARG 12 HA ARG 12 -12.947 -8.857 -10.155 75 HB2 ARG 12 HB2 ARG 12 -13.853 -8.000 -12.880 76 HB3 ARG 12 HB3 ARG 12 -14.541 -7.615 -11.308 77 HG2 ARG 12 HG2 ARG 12 -12.081 -6.469 -11.118 78 HG3 ARG 12 HG3 ARG 12 -12.447 -6.259 -12.832 79 HD2 ARG 12 HD2 ARG 12 -13.237 -4.341 -11.602 80 HD3 ARG 12 HD3 ARG 12 -14.616 -5.256 -12.211 81 HE ARG 12 HE ARG 12 -14.126 -6.181 -9.651 82 HH11 ARG 12 HH11 ARG 12 -14.997 -3.171 -11.166 83 HH12 ARG 12 HH12 ARG 12 -15.880 -2.586 -9.795 84 HH21 ARG 12 HH21 ARG 12 -15.286 -5.423 -7.840 85 HH22 ARG 12 HH22 ARG 12 -16.043 -3.867 -7.903 86 H HIS 13 H HIS 13 -12.360 -10.033 -13.443 87 HA HIS 13 HA HIS 13 -14.491 -11.829 -13.622 88 HB2 HIS 13 HB2 HIS 13 -12.957 -11.123 -15.492 89 HB3 HIS 13 HB3 HIS 13 -11.753 -12.228 -14.836 90 HD1 HIS 13 HD1 HIS 13 -15.452 -12.607 -15.691 91 HD2 HIS 13 HD2 HIS 13 -11.799 -14.495 -16.287 92 HE1 HIS 13 HE1 HIS 13 -15.971 -14.667 -17.037 93 H ALA 14 H ALA 14 -11.366 -12.117 -12.070 94 HA ALA 14 HA ALA 14 -11.373 -14.911 -11.677 95 HB1 ALA 14 HB1 ALA 14 -10.069 -13.297 -9.597 96 HB2 ALA 14 HB2 ALA 14 -9.419 -14.581 -10.616 97 HB3 ALA 14 HB3 ALA 14 -9.565 -12.941 -11.249 98 H LYS 15 H LYS 15 -12.288 -12.254 -9.483 99 HA LYS 15 HA LYS 15 -13.166 -13.900 -7.376 100 HB2 LYS 15 HB2 LYS 15 -14.208 -11.138 -8.005 101 HB3 LYS 15 HB3 LYS 15 -14.142 -11.927 -6.434 102 HG2 LYS 15 HG2 LYS 15 -11.793 -11.000 -8.074 103 HG3 LYS 15 HG3 LYS 15 -12.412 -10.255 -6.598 104 HD2 LYS 15 HD2 LYS 15 -11.277 -13.044 -6.811 105 HD3 LYS 15 HD3 LYS 15 -10.424 -11.637 -6.172 106 HE2 LYS 15 HE2 LYS 15 -11.210 -12.300 -4.183 107 HE3 LYS 15 HE3 LYS 15 -12.739 -11.608 -4.722 108 HZ1 LYS 15 HZ1 LYS 15 -13.665 -13.612 -4.856 109 HZ2 LYS 15 HZ2 LYS 15 -12.348 -14.184 -3.963 110 HZ3 LYS 15 HZ3 LYS 15 -12.335 -14.291 -5.651 111 H SER 16 H SER 16 -14.943 -12.337 -10.024 112 HA SER 16 HA SER 16 -17.526 -12.865 -9.432 113 HB2 SER 16 HB2 SER 16 -16.259 -13.340 -12.141 114 HB3 SER 16 HB3 SER 16 -17.972 -13.053 -11.837 115 HG SER 16 HG SER 16 -17.308 -10.997 -10.933 116 H VAL 17 H VAL 17 -15.169 -15.201 -10.638 117 HA VAL 17 HA VAL 17 -17.148 -17.346 -10.474 118 HB VAL 17 HB VAL 17 -15.338 -18.769 -11.438 119 HG11 VAL 17 HG11 VAL 17 -15.356 -17.631 -13.687 120 HG12 VAL 17 HG12 VAL 17 -16.939 -17.882 -12.948 121 HG13 VAL 17 HG13 VAL 17 -16.190 -16.285 -12.910 122 HG21 VAL 17 HG21 VAL 17 -13.433 -17.470 -10.589 123 HG22 VAL 17 HG22 VAL 17 -13.340 -17.712 -12.334 124 HG23 VAL 17 HG23 VAL 17 -13.853 -16.154 -11.686 125 H GLY 18 H GLY 18 -14.234 -16.184 -8.913 126 HA2 GLY 18 HA2 GLY 18 -13.894 -16.629 -6.571 127 HA3 GLY 18 HA3 GLY 18 -14.660 -18.194 -6.801 128 H ASN 19 H ASN 19 -12.246 -16.882 -8.977 129 HA ASN 19 HA ASN 19 -10.619 -19.224 -8.661 130 HB2 ASN 19 HB2 ASN 19 -10.925 -17.168 -10.599 131 HB3 ASN 19 HB3 ASN 19 -9.238 -17.167 -10.092 132 HD21 ASN 19 HD21 ASN 19 -10.666 -18.025 -12.589 133 HD22 ASN 19 HD22 ASN 19 -10.091 -19.628 -12.884 134 H CYS 20 H CYS 20 -10.838 -16.276 -7.042 135 HA CYS 20 HA CYS 20 -8.275 -15.513 -6.445 136 HB2 CYS 20 HB2 CYS 20 -10.370 -14.400 -5.647 137 HB3 CYS 20 HB3 CYS 20 -10.528 -15.666 -4.434 138 H SER 21 H SER 21 -10.030 -18.299 -5.263 139 HA SER 21 HA SER 21 -8.542 -19.030 -3.062 140 HB2 SER 21 HB2 SER 21 -10.614 -20.167 -4.125 141 HB3 SER 21 HB3 SER 21 -9.441 -21.087 -5.066 142 HG SER 21 HG SER 21 -8.796 -22.110 -3.300 143 H SER 22 H SER 22 -7.770 -19.407 -6.467 144 HA SER 22 HA SER 22 -5.582 -21.146 -6.210 145 HB2 SER 22 HB2 SER 22 -6.853 -20.278 -8.335 146 HB3 SER 22 HB3 SER 22 -5.624 -19.013 -8.317 147 HG SER 22 HG SER 22 -5.411 -21.647 -9.013 148 H GLU 23 H GLU 23 -3.419 -19.938 -7.395 149 HA GLU 23 HA GLU 23 -2.602 -17.942 -5.385 150 HB2 GLU 23 HB2 GLU 23 -1.560 -20.233 -5.152 151 HB3 GLU 23 HB3 GLU 23 -0.779 -19.955 -6.703 152 HG2 GLU 23 HG2 GLU 23 0.898 -19.214 -5.411 153 HG3 GLU 23 HG3 GLU 23 -0.038 -17.721 -5.421 154 H LYS 24 H LYS 24 -2.436 -18.994 -8.721 155 HA LYS 24 HA LYS 24 -0.572 -17.264 -9.782 156 HB2 LYS 24 HB2 LYS 24 -1.611 -18.987 -11.126 157 HB3 LYS 24 HB3 LYS 24 -3.181 -18.207 -10.982 158 HG2 LYS 24 HG2 LYS 24 -2.564 -16.447 -12.396 159 HG3 LYS 24 HG3 LYS 24 -0.845 -16.823 -12.255 160 HD2 LYS 24 HD2 LYS 24 -1.214 -18.923 -13.468 161 HD3 LYS 24 HD3 LYS 24 -2.929 -18.531 -13.618 162 HE2 LYS 24 HE2 LYS 24 -0.992 -16.502 -14.568 163 HE3 LYS 24 HE3 LYS 24 -1.135 -17.977 -15.522 164 HZ1 LYS 24 HZ1 LYS 24 -3.576 -17.570 -15.556 165 HZ2 LYS 24 HZ2 LYS 24 -2.668 -16.407 -16.383 166 HZ3 LYS 24 HZ3 LYS 24 -3.294 -16.059 -14.850 167 H TYR 25 H TYR 25 -3.864 -16.604 -8.780 168 HA TYR 25 HA TYR 25 -3.428 -13.761 -9.426 169 HB2 TYR 25 HB2 TYR 25 -6.215 -14.318 -9.136 170 HB3 TYR 25 HB3 TYR 25 -5.353 -13.734 -10.556 171 HD1 TYR 25 HD1 TYR 25 -4.356 -15.422 -12.146 172 HD2 TYR 25 HD2 TYR 25 -7.053 -16.520 -9.043 173 HE1 TYR 25 HE1 TYR 25 -4.808 -17.548 -13.298 174 HE2 TYR 25 HE2 TYR 25 -7.511 -18.649 -10.187 175 HH TYR 25 HH TYR 25 -7.263 -19.348 -12.944 176 H LYS 26 H LYS 26 -2.695 -15.119 -6.990 177 HA LYS 26 HA LYS 26 -4.457 -13.692 -5.109 178 HB2 LYS 26 HB2 LYS 26 -4.616 -16.242 -5.062 179 HB3 LYS 26 HB3 LYS 26 -2.977 -16.227 -4.422 180 HG2 LYS 26 HG2 LYS 26 -3.998 -14.577 -2.669 181 HG3 LYS 26 HG3 LYS 26 -5.518 -15.331 -3.154 182 HD2 LYS 26 HD2 LYS 26 -3.595 -17.387 -2.766 183 HD3 LYS 26 HD3 LYS 26 -3.540 -16.314 -1.366 184 HE2 LYS 26 HE2 LYS 26 -6.214 -17.108 -2.369 185 HE3 LYS 26 HE3 LYS 26 -5.256 -18.349 -1.563 186 HZ1 LYS 26 HZ1 LYS 26 -6.676 -17.179 -0.002 187 HZ2 LYS 26 HZ2 LYS 26 -5.968 -15.701 -0.421 188 HZ3 LYS 26 HZ3 LYS 26 -5.047 -16.891 0.353 189 H ARG 27 H ARG 27 -2.134 -12.634 -6.356 190 HA ARG 27 HA ARG 27 -0.644 -11.910 -3.987 191 HB2 ARG 27 HB2 ARG 27 1.562 -12.398 -5.075 192 HB3 ARG 27 HB3 ARG 27 0.646 -13.825 -4.611 193 HG2 ARG 27 HG2 ARG 27 -0.194 -13.834 -7.033 194 HG3 ARG 27 HG3 ARG 27 1.137 -12.719 -7.349 195 HD2 ARG 27 HD2 ARG 27 1.378 -15.480 -6.159 196 HD3 ARG 27 HD3 ARG 27 1.779 -15.029 -7.816 197 HE ARG 27 HE ARG 27 3.382 -14.615 -5.477 198 HH11 ARG 27 HH11 ARG 27 2.663 -13.434 -8.673 199 HH12 ARG 27 HH12 ARG 27 4.213 -12.691 -8.889 200 HH21 ARG 27 HH21 ARG 27 5.426 -13.640 -5.750 201 HH22 ARG 27 HH22 ARG 27 5.784 -12.809 -7.226 202 H ASN 28 H ASN 28 -0.799 -11.687 -7.530 203 HA ASN 28 HA ASN 28 0.474 -9.169 -7.712 204 HB2 ASN 28 HB2 ASN 28 -0.828 -9.146 -9.987 205 HB3 ASN 28 HB3 ASN 28 0.470 -10.309 -9.731 206 HD21 ASN 28 HD21 ASN 28 0.024 -12.442 -9.740 207 HD22 ASN 28 HD22 ASN 28 -1.549 -13.104 -10.014 208 H CYS 29 H CYS 29 -2.974 -10.001 -8.113 209 HA CYS 29 HA CYS 29 -3.749 -7.236 -7.837 210 HB2 CYS 29 HB2 CYS 29 -4.858 -9.305 -9.167 211 HB3 CYS 29 HB3 CYS 29 -5.806 -9.365 -7.684 212 H ALA 30 H ALA 30 -2.472 -7.590 -5.604 213 HA ALA 30 HA ALA 30 -3.651 -8.788 -3.413 214 HB1 ALA 30 HB1 ALA 30 -2.264 -6.122 -3.283 215 HB2 ALA 30 HB2 ALA 30 -2.324 -7.383 -2.050 216 HB3 ALA 30 HB3 ALA 30 -1.403 -7.641 -3.532 217 H ILE 31 H ILE 31 -4.289 -5.583 -4.782 218 HA ILE 31 HA ILE 31 -6.005 -4.594 -2.836 219 HB ILE 31 HB ILE 31 -6.074 -4.143 -5.820 220 HG12 ILE 31 HG12 ILE 31 -3.984 -3.478 -4.663 221 HG13 ILE 31 HG13 ILE 31 -4.859 -2.098 -5.318 222 HG21 ILE 31 HG21 ILE 31 -8.228 -3.575 -4.921 223 HG22 ILE 31 HG22 ILE 31 -7.486 -2.671 -3.602 224 HG23 ILE 31 HG23 ILE 31 -7.345 -2.086 -5.260 225 HD11 ILE 31 HD11 ILE 31 -5.683 -2.598 -2.619 226 HD12 ILE 31 HD12 ILE 31 -3.928 -2.449 -2.712 227 HD13 ILE 31 HD13 ILE 31 -4.957 -1.154 -3.323 228 H THR 32 H THR 32 -6.605 -6.887 -5.414 229 HA THR 32 HA THR 32 -9.469 -6.906 -4.900 230 HB THR 32 HB THR 32 -7.767 -8.456 -6.857 231 HG1 THR 32 HG1 THR 32 -9.602 -6.294 -7.080 232 HG21 THR 32 HG21 THR 32 -10.460 -8.969 -5.894 233 HG22 THR 32 HG22 THR 32 -9.421 -9.961 -6.919 234 HG23 THR 32 HG23 THR 32 -10.417 -8.694 -7.635 235 H CYS 33 H CYS 33 -7.063 -9.525 -5.193 236 HA CYS 33 HA CYS 33 -8.571 -11.370 -3.688 237 HB2 CYS 33 HB2 CYS 33 -6.125 -11.366 -5.136 238 HB3 CYS 33 HB3 CYS 33 -5.787 -12.007 -3.531 239 H GLY 34 H GLY 34 -5.489 -9.800 -2.784 240 HA2 GLY 34 HA2 GLY 34 -5.433 -10.552 -0.128 241 HA3 GLY 34 HA3 GLY 34 -4.715 -9.073 -0.748 242 H ALA 35 H ALA 35 -7.274 -7.968 -1.621 243 HA ALA 35 HA ALA 35 -8.950 -6.642 -0.836 244 HB1 ALA 35 HB1 ALA 35 -9.190 -8.094 1.732 245 HB2 ALA 35 HB2 ALA 35 -10.437 -7.585 0.593 246 HB3 ALA 35 HB3 ALA 35 -9.467 -9.020 0.257 247 H CYS 36 H CYS 36 -6.247 -5.924 -0.304 248 HA CYS 36 HA CYS 36 -5.663 -5.139 2.283 249 HB2 CYS 36 HB2 CYS 36 -4.334 -4.929 -0.005 250 HB3 CYS 36 HB3 CYS 36 -4.963 -3.286 0.051 Start of MODEL 17 1 H1 ALA 1 H ALA 1 5.139 -1.047 -0.671 2 HA ALA 1 HA ALA 1 2.839 -1.822 0.492 3 HB1 ALA 1 HB1 ALA 1 1.629 -0.312 -1.030 4 HB2 ALA 1 HB2 ALA 1 3.131 0.396 -0.434 5 HB3 ALA 1 HB3 ALA 1 3.050 -0.251 -2.073 6 H CYS 2 H CYS 2 0.666 -2.129 -0.892 7 HA CYS 2 HA CYS 2 1.083 -4.441 -2.668 8 HB2 CYS 2 HB2 CYS 2 -1.072 -5.353 -1.682 9 HB3 CYS 2 HB3 CYS 2 0.334 -5.388 -0.623 10 H LYS 3 H LYS 3 0.408 -3.927 -4.634 11 HA LYS 3 HA LYS 3 -2.147 -2.509 -4.922 12 HB2 LYS 3 HB2 LYS 3 0.379 -1.891 -6.465 13 HB3 LYS 3 HB3 LYS 3 -1.204 -1.204 -6.801 14 HG2 LYS 3 HG2 LYS 3 0.338 -0.849 -4.239 15 HG3 LYS 3 HG3 LYS 3 0.233 0.331 -5.547 16 HD2 LYS 3 HD2 LYS 3 -2.123 -0.738 -3.993 17 HD3 LYS 3 HD3 LYS 3 -1.323 0.804 -3.677 18 HE2 LYS 3 HE2 LYS 3 -2.799 -0.017 -6.173 19 HE3 LYS 3 HE3 LYS 3 -3.276 1.216 -5.006 20 HZ1 LYS 3 HZ1 LYS 3 -0.866 2.098 -5.718 21 HZ2 LYS 3 HZ2 LYS 3 -2.298 2.577 -6.480 22 HZ3 LYS 3 HZ3 LYS 3 -1.343 1.359 -7.163 23 H ASP 4 H ASP 4 -3.461 -3.291 -6.482 24 HA ASP 4 HA ASP 4 -3.124 -5.838 -7.511 25 HB2 ASP 4 HB2 ASP 4 -4.941 -5.139 -9.168 26 HB3 ASP 4 HB3 ASP 4 -5.324 -4.980 -7.456 27 H VAL 5 H VAL 5 -1.527 -6.485 -8.797 28 HA VAL 5 HA VAL 5 -0.284 -4.719 -10.702 29 HB VAL 5 HB VAL 5 0.159 -7.691 -10.459 30 HG11 VAL 5 HG11 VAL 5 1.582 -5.414 -11.743 31 HG12 VAL 5 HG12 VAL 5 2.536 -6.752 -11.098 32 HG13 VAL 5 HG13 VAL 5 1.312 -7.054 -12.332 33 HG21 VAL 5 HG21 VAL 5 0.449 -6.866 -8.252 34 HG22 VAL 5 HG22 VAL 5 2.063 -7.038 -8.941 35 HG23 VAL 5 HG23 VAL 5 1.320 -5.443 -8.825 36 H PHE 6 H PHE 6 -2.547 -7.405 -10.787 37 HA PHE 6 HA PHE 6 -2.525 -7.602 -13.658 38 HB2 PHE 6 HB2 PHE 6 -3.942 -8.954 -11.424 39 HB3 PHE 6 HB3 PHE 6 -4.739 -8.962 -12.994 40 HD1 PHE 6 HD1 PHE 6 -1.196 -9.338 -11.877 41 HD2 PHE 6 HD2 PHE 6 -4.468 -10.971 -14.055 42 HE1 PHE 6 HE1 PHE 6 0.218 -11.226 -12.579 43 HE2 PHE 6 HE2 PHE 6 -3.060 -12.862 -14.759 44 HZ PHE 6 HZ PHE 6 -0.714 -12.992 -14.020 45 HA PRO 7 HA PRO 7 -5.595 -4.649 -14.705 46 HB2 PRO 7 HB2 PRO 7 -6.934 -5.912 -16.701 47 HB3 PRO 7 HB3 PRO 7 -5.298 -5.272 -16.897 48 HG2 PRO 7 HG2 PRO 7 -6.182 -8.081 -16.356 49 HG3 PRO 7 HG3 PRO 7 -4.935 -7.496 -17.473 50 HD2 PRO 7 HD2 PRO 7 -4.342 -8.537 -15.045 51 HD3 PRO 7 HD3 PRO 7 -3.368 -7.259 -15.800 52 H ALA 8 H ALA 8 -7.620 -4.038 -14.120 53 HA ALA 8 HA ALA 8 -9.098 -5.433 -12.266 54 HB1 ALA 8 HB1 ALA 8 -9.615 -3.191 -12.359 55 HB2 ALA 8 HB2 ALA 8 -9.763 -3.187 -14.117 56 HB3 ALA 8 HB3 ALA 8 -11.031 -3.909 -13.127 57 H ALA 9 H ALA 9 -9.268 -5.588 -15.762 58 HA ALA 9 HA ALA 9 -11.729 -6.941 -15.992 59 HB1 ALA 9 HB1 ALA 9 -10.536 -7.780 -18.193 60 HB2 ALA 9 HB2 ALA 9 -11.064 -6.107 -18.011 61 HB3 ALA 9 HB3 ALA 9 -9.371 -6.530 -17.755 62 H THR 10 H THR 10 -8.392 -8.195 -15.997 63 HA THR 10 HA THR 10 -9.148 -10.922 -16.077 64 HB THR 10 HB THR 10 -6.562 -9.686 -15.108 65 HG1 THR 10 HG1 THR 10 -7.142 -10.886 -17.624 66 HG21 THR 10 HG21 THR 10 -7.306 -12.528 -15.785 67 HG22 THR 10 HG22 THR 10 -6.663 -11.910 -14.264 68 HG23 THR 10 HG23 THR 10 -5.640 -11.960 -15.699 69 H CYS 11 H CYS 11 -9.045 -8.612 -13.545 70 HA CYS 11 HA CYS 11 -8.887 -10.604 -11.435 71 HB2 CYS 11 HB2 CYS 11 -9.322 -7.613 -11.286 72 HB3 CYS 11 HB3 CYS 11 -9.047 -8.676 -9.909 73 H ARG 12 H ARG 12 -11.273 -8.693 -13.108 74 HA ARG 12 HA ARG 12 -13.385 -9.009 -11.244 75 HB2 ARG 12 HB2 ARG 12 -14.709 -7.929 -12.782 76 HB3 ARG 12 HB3 ARG 12 -13.117 -7.412 -13.321 77 HG2 ARG 12 HG2 ARG 12 -13.946 -8.038 -15.324 78 HG3 ARG 12 HG3 ARG 12 -13.356 -9.616 -14.801 79 HD2 ARG 12 HD2 ARG 12 -15.485 -10.173 -15.421 80 HD3 ARG 12 HD3 ARG 12 -15.752 -9.781 -13.723 81 HE ARG 12 HE ARG 12 -17.089 -8.068 -14.402 82 HH11 ARG 12 HH11 ARG 12 -14.928 -8.878 -17.010 83 HH12 ARG 12 HH12 ARG 12 -15.649 -7.765 -18.125 84 HH21 ARG 12 HH21 ARG 12 -18.045 -6.600 -15.862 85 HH22 ARG 12 HH22 ARG 12 -17.421 -6.469 -17.471 86 H HIS 13 H HIS 13 -12.030 -11.058 -13.677 87 HA HIS 13 HA HIS 13 -14.306 -12.787 -13.931 88 HB2 HIS 13 HB2 HIS 13 -11.419 -13.280 -14.690 89 HB3 HIS 13 HB3 HIS 13 -12.802 -14.237 -15.210 90 HD1 HIS 13 HD1 HIS 13 -14.740 -12.148 -16.163 91 HD2 HIS 13 HD2 HIS 13 -10.658 -11.926 -16.902 92 HE1 HIS 13 HE1 HIS 13 -14.501 -10.666 -18.181 93 H ALA 14 H ALA 14 -11.105 -13.136 -12.399 94 HA ALA 14 HA ALA 14 -11.412 -15.627 -11.268 95 HB1 ALA 14 HB1 ALA 14 -9.488 -13.719 -11.182 96 HB2 ALA 14 HB2 ALA 14 -10.077 -13.682 -9.520 97 HB3 ALA 14 HB3 ALA 14 -9.479 -15.191 -10.210 98 H LYS 15 H LYS 15 -12.002 -12.543 -9.567 99 HA LYS 15 HA LYS 15 -13.156 -13.635 -7.282 100 HB2 LYS 15 HB2 LYS 15 -13.881 -10.972 -8.512 101 HB3 LYS 15 HB3 LYS 15 -14.012 -11.429 -6.819 102 HG2 LYS 15 HG2 LYS 15 -11.471 -11.070 -8.393 103 HG3 LYS 15 HG3 LYS 15 -12.098 -10.007 -7.132 104 HD2 LYS 15 HD2 LYS 15 -11.239 -12.876 -6.758 105 HD3 LYS 15 HD3 LYS 15 -10.313 -11.451 -6.282 106 HE2 LYS 15 HE2 LYS 15 -12.959 -12.383 -5.185 107 HE3 LYS 15 HE3 LYS 15 -11.416 -12.290 -4.338 108 HZ1 LYS 15 HZ1 LYS 15 -12.470 -10.398 -3.625 109 HZ2 LYS 15 HZ2 LYS 15 -13.245 -10.120 -5.102 110 HZ3 LYS 15 HZ3 LYS 15 -11.594 -9.790 -4.939 111 H SER 16 H SER 16 -14.724 -12.464 -10.249 112 HA SER 16 HA SER 16 -17.356 -12.658 -9.671 113 HB2 SER 16 HB2 SER 16 -15.761 -13.116 -12.111 114 HB3 SER 16 HB3 SER 16 -17.372 -13.833 -12.131 115 HG SER 16 HG SER 16 -18.253 -11.817 -11.773 116 H VAL 17 H VAL 17 -15.326 -15.406 -10.676 117 HA VAL 17 HA VAL 17 -17.442 -17.294 -10.106 118 HB VAL 17 HB VAL 17 -15.727 -19.013 -10.696 119 HG11 VAL 17 HG11 VAL 17 -16.317 -16.769 -12.608 120 HG12 VAL 17 HG12 VAL 17 -15.521 -18.262 -13.109 121 HG13 VAL 17 HG13 VAL 17 -17.153 -18.312 -12.440 122 HG21 VAL 17 HG21 VAL 17 -13.993 -16.638 -11.364 123 HG22 VAL 17 HG22 VAL 17 -13.766 -17.679 -9.959 124 HG23 VAL 17 HG23 VAL 17 -13.593 -18.342 -11.584 125 H GLY 18 H GLY 18 -14.558 -16.074 -8.557 126 HA2 GLY 18 HA2 GLY 18 -14.384 -16.147 -6.159 127 HA3 GLY 18 HA3 GLY 18 -15.242 -17.680 -6.185 128 H ASN 19 H ASN 19 -12.522 -16.725 -8.228 129 HA ASN 19 HA ASN 19 -11.064 -19.071 -7.276 130 HB2 ASN 19 HB2 ASN 19 -11.340 -17.784 -9.798 131 HB3 ASN 19 HB3 ASN 19 -9.646 -17.675 -9.328 132 HD21 ASN 19 HD21 ASN 19 -11.008 -19.243 -11.426 133 HD22 ASN 19 HD22 ASN 19 -10.546 -20.883 -11.144 134 H CYS 20 H CYS 20 -11.350 -16.472 -5.787 135 HA CYS 20 HA CYS 20 -8.904 -15.080 -5.816 136 HB2 CYS 20 HB2 CYS 20 -10.971 -14.202 -4.784 137 HB3 CYS 20 HB3 CYS 20 -10.847 -15.423 -3.521 138 H SER 21 H SER 21 -9.838 -18.099 -4.418 139 HA SER 21 HA SER 21 -7.945 -18.322 -2.365 140 HB2 SER 21 HB2 SER 21 -9.427 -20.328 -4.042 141 HB3 SER 21 HB3 SER 21 -8.205 -20.859 -2.886 142 HG SER 21 HG SER 21 -9.688 -20.646 -1.428 143 H SER 22 H SER 22 -7.713 -18.896 -5.821 144 HA SER 22 HA SER 22 -5.323 -20.302 -5.943 145 HB2 SER 22 HB2 SER 22 -7.049 -19.073 -7.780 146 HB3 SER 22 HB3 SER 22 -5.470 -18.343 -8.070 147 HG SER 22 HG SER 22 -4.742 -20.192 -8.793 148 H GLU 23 H GLU 23 -3.301 -19.213 -7.072 149 HA GLU 23 HA GLU 23 -2.488 -17.005 -5.305 150 HB2 GLU 23 HB2 GLU 23 -1.229 -19.130 -5.064 151 HB3 GLU 23 HB3 GLU 23 -0.741 -19.005 -6.749 152 HG2 GLU 23 HG2 GLU 23 1.094 -18.183 -5.627 153 HG3 GLU 23 HG3 GLU 23 0.223 -16.714 -6.065 154 H LYS 24 H LYS 24 -2.527 -18.141 -8.627 155 HA LYS 24 HA LYS 24 -0.943 -16.284 -9.892 156 HB2 LYS 24 HB2 LYS 24 -1.988 -18.153 -11.063 157 HB3 LYS 24 HB3 LYS 24 -3.575 -17.425 -10.849 158 HG2 LYS 24 HG2 LYS 24 -2.998 -15.601 -12.296 159 HG3 LYS 24 HG3 LYS 24 -1.329 -16.166 -12.408 160 HD2 LYS 24 HD2 LYS 24 -1.938 -18.048 -13.677 161 HD3 LYS 24 HD3 LYS 24 -3.645 -17.881 -13.260 162 HE2 LYS 24 HE2 LYS 24 -2.115 -15.853 -14.879 163 HE3 LYS 24 HE3 LYS 24 -3.033 -17.178 -15.594 164 HZ1 LYS 24 HZ1 LYS 24 -5.037 -16.317 -14.695 165 HZ2 LYS 24 HZ2 LYS 24 -4.246 -15.028 -15.451 166 HZ3 LYS 24 HZ3 LYS 24 -4.218 -15.165 -13.765 167 H TYR 25 H TYR 25 -4.131 -15.862 -8.531 168 HA TYR 25 HA TYR 25 -4.031 -13.021 -9.309 169 HB2 TYR 25 HB2 TYR 25 -6.708 -13.819 -8.682 170 HB3 TYR 25 HB3 TYR 25 -6.074 -13.186 -10.197 171 HD1 TYR 25 HD1 TYR 25 -5.039 -14.834 -11.840 172 HD2 TYR 25 HD2 TYR 25 -7.385 -16.059 -8.509 173 HE1 TYR 25 HE1 TYR 25 -5.412 -17.016 -12.913 174 HE2 TYR 25 HE2 TYR 25 -7.764 -18.244 -9.572 175 HH TYR 25 HH TYR 25 -7.174 -18.851 -12.787 176 H LYS 26 H LYS 26 -2.787 -13.884 -7.011 177 HA LYS 26 HA LYS 26 -4.492 -12.664 -4.957 178 HB2 LYS 26 HB2 LYS 26 -4.602 -15.041 -4.531 179 HB3 LYS 26 HB3 LYS 26 -2.852 -15.183 -4.641 180 HG2 LYS 26 HG2 LYS 26 -3.355 -15.244 -2.350 181 HG3 LYS 26 HG3 LYS 26 -2.735 -13.619 -2.655 182 HD2 LYS 26 HD2 LYS 26 -4.591 -13.149 -1.381 183 HD3 LYS 26 HD3 LYS 26 -5.270 -13.051 -3.007 184 HE2 LYS 26 HE2 LYS 26 -6.832 -14.399 -2.042 185 HE3 LYS 26 HE3 LYS 26 -5.693 -15.633 -2.579 186 HZ1 LYS 26 HZ1 LYS 26 -4.970 -16.020 -0.462 187 HZ2 LYS 26 HZ2 LYS 26 -6.581 -15.616 -0.144 188 HZ3 LYS 26 HZ3 LYS 26 -5.360 -14.470 0.094 189 H ARG 27 H ARG 27 -1.238 -13.569 -5.991 190 HA ARG 27 HA ARG 27 0.058 -11.916 -4.034 191 HB2 ARG 27 HB2 ARG 27 2.105 -12.578 -5.053 192 HB3 ARG 27 HB3 ARG 27 1.055 -13.989 -5.066 193 HG2 ARG 27 HG2 ARG 27 0.527 -13.592 -7.409 194 HG3 ARG 27 HG3 ARG 27 1.550 -12.154 -7.401 195 HD2 ARG 27 HD2 ARG 27 2.445 -14.994 -6.921 196 HD3 ARG 27 HD3 ARG 27 2.732 -14.041 -8.376 197 HE ARG 27 HE ARG 27 3.820 -12.550 -6.372 198 HH11 ARG 27 HH11 ARG 27 4.221 -15.825 -7.483 199 HH12 ARG 27 HH12 ARG 27 5.880 -15.926 -6.994 200 HH21 ARG 27 HH21 ARG 27 6.004 -12.671 -5.724 201 HH22 ARG 27 HH22 ARG 27 6.893 -14.132 -5.992 202 H ASN 28 H ASN 28 -1.036 -11.552 -7.327 203 HA ASN 28 HA ASN 28 0.300 -8.967 -7.582 204 HB2 ASN 28 HB2 ASN 28 -1.022 -9.171 -9.897 205 HB3 ASN 28 HB3 ASN 28 0.532 -9.957 -9.630 206 HD21 ASN 28 HD21 ASN 28 0.632 -12.015 -10.135 207 HD22 ASN 28 HD22 ASN 28 -0.703 -13.108 -10.229 208 H CYS 29 H CYS 29 -2.979 -10.160 -8.329 209 HA CYS 29 HA CYS 29 -4.090 -7.531 -7.923 210 HB2 CYS 29 HB2 CYS 29 -4.815 -9.579 -9.522 211 HB3 CYS 29 HB3 CYS 29 -5.895 -9.870 -8.161 212 H ALA 30 H ALA 30 -3.031 -7.902 -5.599 213 HA ALA 30 HA ALA 30 -4.581 -9.378 -3.718 214 HB1 ALA 30 HB1 ALA 30 -2.172 -8.739 -3.442 215 HB2 ALA 30 HB2 ALA 30 -2.716 -7.093 -3.113 216 HB3 ALA 30 HB3 ALA 30 -3.196 -8.411 -2.043 217 H ILE 31 H ILE 31 -4.432 -5.957 -4.638 218 HA ILE 31 HA ILE 31 -6.139 -4.889 -2.736 219 HB ILE 31 HB ILE 31 -5.846 -4.076 -5.630 220 HG12 ILE 31 HG12 ILE 31 -3.748 -4.024 -4.336 221 HG13 ILE 31 HG13 ILE 31 -4.282 -2.404 -4.768 222 HG21 ILE 31 HG21 ILE 31 -6.580 -1.814 -4.601 223 HG22 ILE 31 HG22 ILE 31 -7.804 -3.022 -4.990 224 HG23 ILE 31 HG23 ILE 31 -7.268 -2.814 -3.322 225 HD11 ILE 31 HD11 ILE 31 -3.682 -3.454 -2.207 226 HD12 ILE 31 HD12 ILE 31 -4.177 -1.818 -2.644 227 HD13 ILE 31 HD13 ILE 31 -5.394 -3.030 -2.245 228 H THR 32 H THR 32 -6.868 -6.810 -5.544 229 HA THR 32 HA THR 32 -9.717 -6.250 -5.383 230 HB THR 32 HB THR 32 -8.216 -8.155 -7.190 231 HG1 THR 32 HG1 THR 32 -7.770 -5.901 -7.539 232 HG21 THR 32 HG21 THR 32 -11.100 -7.366 -6.982 233 HG22 THR 32 HG22 THR 32 -10.394 -8.969 -7.188 234 HG23 THR 32 HG23 THR 32 -10.413 -7.834 -8.537 235 H CYS 33 H CYS 33 -7.513 -8.991 -4.909 236 HA CYS 33 HA CYS 33 -9.461 -10.898 -4.238 237 HB2 CYS 33 HB2 CYS 33 -6.672 -10.835 -4.463 238 HB3 CYS 33 HB3 CYS 33 -6.981 -11.303 -2.794 239 H GLY 34 H GLY 34 -7.353 -8.980 -2.086 240 HA2 GLY 34 HA2 GLY 34 -8.282 -7.861 -0.155 241 HA3 GLY 34 HA3 GLY 34 -9.474 -9.148 -0.044 242 H ALA 35 H ALA 35 -5.947 -9.314 -0.425 243 HA ALA 35 HA ALA 35 -5.863 -11.053 1.939 244 HB1 ALA 35 HB1 ALA 35 -3.388 -11.263 0.847 245 HB2 ALA 35 HB2 ALA 35 -4.748 -12.317 0.455 246 HB3 ALA 35 HB3 ALA 35 -4.368 -10.943 -0.584 247 H CYS 36 H CYS 36 -4.261 -8.249 0.477 248 HA CYS 36 HA CYS 36 -2.419 -7.804 2.569 249 HB2 CYS 36 HB2 CYS 36 -2.394 -6.832 0.201 250 HB3 CYS 36 HB3 CYS 36 -3.554 -5.647 0.794 Start of MODEL 18 1 H1 ALA 1 H ALA 1 1.529 -0.459 -0.161 2 HA ALA 1 HA ALA 1 2.965 -0.399 -2.727 3 HB1 ALA 1 HB1 ALA 1 4.804 -1.571 -1.906 4 HB2 ALA 1 HB2 ALA 1 4.468 -0.385 -0.644 5 HB3 ALA 1 HB3 ALA 1 3.957 -2.060 -0.438 6 H CYS 2 H CYS 2 0.269 -1.238 -2.139 7 HA CYS 2 HA CYS 2 0.497 -4.044 -2.972 8 HB2 CYS 2 HB2 CYS 2 -1.617 -4.476 -1.612 9 HB3 CYS 2 HB3 CYS 2 -0.123 -4.281 -0.701 10 H LYS 3 H LYS 3 0.265 -2.629 -5.003 11 HA LYS 3 HA LYS 3 -2.543 -1.978 -5.542 12 HB2 LYS 3 HB2 LYS 3 -0.054 -1.337 -7.136 13 HB3 LYS 3 HB3 LYS 3 -1.685 -0.821 -7.543 14 HG2 LYS 3 HG2 LYS 3 -0.291 -0.079 -4.983 15 HG3 LYS 3 HG3 LYS 3 -0.273 0.915 -6.441 16 HD2 LYS 3 HD2 LYS 3 -2.797 0.864 -6.358 17 HD3 LYS 3 HD3 LYS 3 -2.646 0.143 -4.754 18 HE2 LYS 3 HE2 LYS 3 -2.898 2.429 -4.336 19 HE3 LYS 3 HE3 LYS 3 -1.163 2.152 -4.195 20 HZ1 LYS 3 HZ1 LYS 3 -2.349 4.039 -5.747 21 HZ2 LYS 3 HZ2 LYS 3 -1.972 2.824 -6.861 22 HZ3 LYS 3 HZ3 LYS 3 -0.753 3.499 -5.902 23 H ASP 4 H ASP 4 -3.748 -3.085 -6.983 24 HA ASP 4 HA ASP 4 -3.171 -5.691 -7.680 25 HB2 ASP 4 HB2 ASP 4 -4.961 -5.295 -9.511 26 HB3 ASP 4 HB3 ASP 4 -5.427 -5.103 -7.823 27 H VAL 5 H VAL 5 -1.585 -6.446 -8.906 28 HA VAL 5 HA VAL 5 -0.336 -4.826 -10.936 29 HB VAL 5 HB VAL 5 0.178 -7.743 -10.364 30 HG11 VAL 5 HG11 VAL 5 2.292 -5.866 -11.244 31 HG12 VAL 5 HG12 VAL 5 2.044 -7.567 -11.644 32 HG13 VAL 5 HG13 VAL 5 1.076 -6.323 -12.436 33 HG21 VAL 5 HG21 VAL 5 1.410 -5.313 -9.070 34 HG22 VAL 5 HG22 VAL 5 0.382 -6.512 -8.285 35 HG23 VAL 5 HG23 VAL 5 1.981 -6.970 -8.872 36 H PHE 6 H PHE 6 -2.451 -7.644 -10.827 37 HA PHE 6 HA PHE 6 -2.355 -8.149 -13.635 38 HB2 PHE 6 HB2 PHE 6 -3.854 -9.199 -11.309 39 HB3 PHE 6 HB3 PHE 6 -4.656 -9.347 -12.869 40 HD1 PHE 6 HD1 PHE 6 -1.008 -9.455 -12.472 41 HD2 PHE 6 HD2 PHE 6 -4.572 -11.731 -12.959 42 HE1 PHE 6 HE1 PHE 6 0.340 -11.452 -12.971 43 HE2 PHE 6 HE2 PHE 6 -3.229 -13.732 -13.457 44 HZ PHE 6 HZ PHE 6 -0.771 -13.594 -13.463 45 HA PRO 7 HA PRO 7 -5.341 -5.367 -15.241 46 HB2 PRO 7 HB2 PRO 7 -6.694 -6.908 -17.020 47 HB3 PRO 7 HB3 PRO 7 -5.034 -6.362 -17.289 48 HG2 PRO 7 HG2 PRO 7 -6.020 -9.009 -16.296 49 HG3 PRO 7 HG3 PRO 7 -4.740 -8.661 -17.473 50 HD2 PRO 7 HD2 PRO 7 -4.215 -9.292 -14.892 51 HD3 PRO 7 HD3 PRO 7 -3.188 -8.192 -15.834 52 H ALA 8 H ALA 8 -7.475 -4.685 -15.075 53 HA ALA 8 HA ALA 8 -9.002 -5.725 -12.959 54 HB1 ALA 8 HB1 ALA 8 -10.789 -4.236 -14.424 55 HB2 ALA 8 HB2 ALA 8 -9.704 -3.618 -13.179 56 HB3 ALA 8 HB3 ALA 8 -9.230 -3.546 -14.876 57 H ALA 9 H ALA 9 -9.254 -6.134 -16.457 58 HA ALA 9 HA ALA 9 -11.705 -7.342 -16.709 59 HB1 ALA 9 HB1 ALA 9 -10.771 -7.081 -18.754 60 HB2 ALA 9 HB2 ALA 9 -9.155 -7.512 -18.195 61 HB3 ALA 9 HB3 ALA 9 -10.345 -8.775 -18.509 62 H THR 10 H THR 10 -8.669 -8.798 -15.643 63 HA THR 10 HA THR 10 -9.917 -11.406 -15.336 64 HB THR 10 HB THR 10 -7.105 -10.485 -14.709 65 HG1 THR 10 HG1 THR 10 -7.752 -10.606 -16.972 66 HG21 THR 10 HG21 THR 10 -7.237 -13.282 -15.042 67 HG22 THR 10 HG22 THR 10 -8.522 -12.847 -13.915 68 HG23 THR 10 HG23 THR 10 -6.855 -12.385 -13.573 69 H CYS 11 H CYS 11 -8.452 -8.910 -13.277 70 HA CYS 11 HA CYS 11 -8.532 -10.019 -10.811 71 HB2 CYS 11 HB2 CYS 11 -9.269 -7.232 -11.684 72 HB3 CYS 11 HB3 CYS 11 -9.237 -7.688 -9.984 73 H ARG 12 H ARG 12 -11.282 -8.084 -12.005 74 HA ARG 12 HA ARG 12 -13.094 -8.895 -10.054 75 HB2 ARG 12 HB2 ARG 12 -13.968 -8.247 -12.854 76 HB3 ARG 12 HB3 ARG 12 -14.760 -7.856 -11.333 77 HG2 ARG 12 HG2 ARG 12 -12.554 -6.452 -10.957 78 HG3 ARG 12 HG3 ARG 12 -12.527 -6.484 -12.721 79 HD2 ARG 12 HD2 ARG 12 -14.230 -5.043 -12.876 80 HD3 ARG 12 HD3 ARG 12 -15.159 -5.878 -11.632 81 HE ARG 12 HE ARG 12 -13.512 -3.557 -11.293 82 HH11 ARG 12 HH11 ARG 12 -14.825 -6.364 -9.706 83 HH12 ARG 12 HH12 ARG 12 -14.744 -5.667 -8.122 84 HH21 ARG 12 HH21 ARG 12 -13.400 -2.629 -9.212 85 HH22 ARG 12 HH22 ARG 12 -13.934 -3.543 -7.842 86 H HIS 13 H HIS 13 -12.566 -10.201 -13.316 87 HA HIS 13 HA HIS 13 -14.556 -12.097 -13.415 88 HB2 HIS 13 HB2 HIS 13 -12.911 -11.520 -15.239 89 HB3 HIS 13 HB3 HIS 13 -11.744 -12.555 -14.422 90 HD1 HIS 13 HD1 HIS 13 -15.349 -12.982 -15.596 91 HD2 HIS 13 HD2 HIS 13 -11.715 -14.995 -15.557 92 HE1 HIS 13 HE1 HIS 13 -15.777 -15.165 -16.768 93 H ALA 14 H ALA 14 -11.465 -12.254 -11.744 94 HA ALA 14 HA ALA 14 -11.571 -14.999 -11.067 95 HB1 ALA 14 HB1 ALA 14 -9.780 -12.866 -10.691 96 HB2 ALA 14 HB2 ALA 14 -10.153 -13.496 -9.086 97 HB3 ALA 14 HB3 ALA 14 -9.522 -14.574 -10.331 98 H LYS 15 H LYS 15 -12.798 -12.087 -9.522 99 HA LYS 15 HA LYS 15 -13.580 -13.430 -7.106 100 HB2 LYS 15 HB2 LYS 15 -14.665 -10.782 -8.027 101 HB3 LYS 15 HB3 LYS 15 -14.407 -11.351 -6.383 102 HG2 LYS 15 HG2 LYS 15 -12.258 -10.628 -8.365 103 HG3 LYS 15 HG3 LYS 15 -12.778 -9.658 -6.985 104 HD2 LYS 15 HD2 LYS 15 -11.498 -12.389 -6.881 105 HD3 LYS 15 HD3 LYS 15 -10.737 -10.856 -6.447 106 HE2 LYS 15 HE2 LYS 15 -12.997 -12.271 -5.051 107 HE3 LYS 15 HE3 LYS 15 -11.396 -11.894 -4.417 108 HZ1 LYS 15 HZ1 LYS 15 -12.745 -10.284 -3.481 109 HZ2 LYS 15 HZ2 LYS 15 -13.672 -10.078 -4.880 110 HZ3 LYS 15 HZ3 LYS 15 -12.093 -9.474 -4.816 111 H SER 16 H SER 16 -14.972 -12.888 -10.211 112 HA SER 16 HA SER 16 -17.682 -13.430 -9.311 113 HB2 SER 16 HB2 SER 16 -17.615 -11.835 -11.049 114 HB3 SER 16 HB3 SER 16 -16.457 -12.778 -11.987 115 HG SER 16 HG SER 16 -19.178 -13.421 -11.496 116 H VAL 17 H VAL 17 -15.049 -15.045 -10.970 117 HA VAL 17 HA VAL 17 -16.669 -17.399 -11.512 118 HB VAL 17 HB VAL 17 -14.750 -18.300 -12.643 119 HG11 VAL 17 HG11 VAL 17 -15.929 -15.800 -13.296 120 HG12 VAL 17 HG12 VAL 17 -14.232 -15.753 -13.780 121 HG13 VAL 17 HG13 VAL 17 -15.287 -17.032 -14.382 122 HG21 VAL 17 HG21 VAL 17 -12.837 -17.879 -11.485 123 HG22 VAL 17 HG22 VAL 17 -12.693 -16.613 -12.705 124 HG23 VAL 17 HG23 VAL 17 -13.303 -16.223 -11.097 125 H GLY 18 H GLY 18 -14.246 -16.292 -9.253 126 HA2 GLY 18 HA2 GLY 18 -14.039 -17.225 -7.077 127 HA3 GLY 18 HA3 GLY 18 -14.661 -18.746 -7.699 128 H ASN 19 H ASN 19 -12.104 -16.845 -9.192 129 HA ASN 19 HA ASN 19 -10.323 -19.142 -8.949 130 HB2 ASN 19 HB2 ASN 19 -10.757 -17.141 -10.924 131 HB3 ASN 19 HB3 ASN 19 -9.101 -16.970 -10.349 132 HD21 ASN 19 HD21 ASN 19 -9.978 -17.824 -12.940 133 HD22 ASN 19 HD22 ASN 19 -9.374 -19.426 -13.174 134 H CYS 20 H CYS 20 -10.825 -16.034 -7.584 135 HA CYS 20 HA CYS 20 -8.336 -15.176 -6.825 136 HB2 CYS 20 HB2 CYS 20 -10.250 -13.842 -6.301 137 HB3 CYS 20 HB3 CYS 20 -10.939 -15.113 -5.297 138 H SER 21 H SER 21 -10.196 -17.837 -5.511 139 HA SER 21 HA SER 21 -8.942 -18.325 -3.119 140 HB2 SER 21 HB2 SER 21 -9.303 -20.851 -3.879 141 HB3 SER 21 HB3 SER 21 -10.665 -19.805 -3.477 142 HG SER 21 HG SER 21 -11.319 -20.256 -5.418 143 H SER 22 H SER 22 -7.760 -18.945 -6.359 144 HA SER 22 HA SER 22 -5.552 -20.565 -5.610 145 HB2 SER 22 HB2 SER 22 -5.811 -18.845 -8.086 146 HB3 SER 22 HB3 SER 22 -4.771 -20.253 -7.876 147 HG SER 22 HG SER 22 -6.684 -21.510 -7.641 148 H GLU 23 H GLU 23 -3.339 -19.483 -6.775 149 HA GLU 23 HA GLU 23 -2.816 -17.099 -5.123 150 HB2 GLU 23 HB2 GLU 23 -1.688 -19.272 -4.429 151 HB3 GLU 23 HB3 GLU 23 -0.755 -19.153 -5.914 152 HG2 GLU 23 HG2 GLU 23 0.311 -17.174 -5.205 153 HG3 GLU 23 HG3 GLU 23 -0.816 -16.961 -3.866 154 H LYS 24 H LYS 24 -2.401 -18.666 -8.209 155 HA LYS 24 HA LYS 24 -0.498 -17.089 -9.431 156 HB2 LYS 24 HB2 LYS 24 -1.418 -19.026 -10.541 157 HB3 LYS 24 HB3 LYS 24 -3.015 -18.290 -10.595 158 HG2 LYS 24 HG2 LYS 24 -2.346 -16.718 -12.219 159 HG3 LYS 24 HG3 LYS 24 -0.636 -17.086 -11.978 160 HD2 LYS 24 HD2 LYS 24 -0.913 -19.266 -12.952 161 HD3 LYS 24 HD3 LYS 24 -2.663 -19.054 -13.037 162 HE2 LYS 24 HE2 LYS 24 -1.793 -18.674 -15.221 163 HE3 LYS 24 HE3 LYS 24 -2.262 -17.108 -14.562 164 HZ1 LYS 24 HZ1 LYS 24 0.279 -17.210 -13.804 165 HZ2 LYS 24 HZ2 LYS 24 -0.220 -16.542 -15.275 166 HZ3 LYS 24 HZ3 LYS 24 0.377 -18.124 -15.225 167 H TYR 25 H TYR 25 -3.789 -16.307 -8.606 168 HA TYR 25 HA TYR 25 -3.377 -13.612 -9.722 169 HB2 TYR 25 HB2 TYR 25 -6.167 -14.153 -9.509 170 HB3 TYR 25 HB3 TYR 25 -5.225 -13.818 -10.958 171 HD1 TYR 25 HD1 TYR 25 -4.135 -15.750 -12.165 172 HD2 TYR 25 HD2 TYR 25 -7.018 -16.310 -9.087 173 HE1 TYR 25 HE1 TYR 25 -4.520 -18.048 -12.953 174 HE2 TYR 25 HE2 TYR 25 -7.410 -18.610 -9.865 175 HH TYR 25 HH TYR 25 -6.516 -19.734 -12.803 176 H LYS 26 H LYS 26 -2.733 -14.495 -7.082 177 HA LYS 26 HA LYS 26 -4.724 -12.995 -5.509 178 HB2 LYS 26 HB2 LYS 26 -4.176 -15.567 -5.087 179 HB3 LYS 26 HB3 LYS 26 -2.843 -14.878 -4.170 180 HG2 LYS 26 HG2 LYS 26 -4.861 -13.401 -3.202 181 HG3 LYS 26 HG3 LYS 26 -5.736 -14.880 -3.605 182 HD2 LYS 26 HD2 LYS 26 -3.250 -14.732 -1.900 183 HD3 LYS 26 HD3 LYS 26 -4.899 -14.885 -1.288 184 HE2 LYS 26 HE2 LYS 26 -5.129 -17.011 -2.502 185 HE3 LYS 26 HE3 LYS 26 -3.465 -16.859 -3.063 186 HZ1 LYS 26 HZ1 LYS 26 -4.087 -16.819 -0.181 187 HZ2 LYS 26 HZ2 LYS 26 -2.633 -17.216 -0.948 188 HZ3 LYS 26 HZ3 LYS 26 -3.941 -18.288 -1.007 189 H ARG 27 H ARG 27 -1.314 -13.587 -6.114 190 HA ARG 27 HA ARG 27 -0.367 -11.742 -4.149 191 HB2 ARG 27 HB2 ARG 27 1.814 -12.013 -5.281 192 HB3 ARG 27 HB3 ARG 27 1.060 -13.553 -4.894 193 HG2 ARG 27 HG2 ARG 27 0.251 -13.673 -7.245 194 HG3 ARG 27 HG3 ARG 27 1.195 -12.222 -7.588 195 HD2 ARG 27 HD2 ARG 27 2.444 -14.192 -8.235 196 HD3 ARG 27 HD3 ARG 27 3.230 -13.402 -6.868 197 HE ARG 27 HE ARG 27 1.492 -15.382 -5.901 198 HH11 ARG 27 HH11 ARG 27 4.481 -15.068 -7.658 199 HH12 ARG 27 HH12 ARG 27 5.113 -16.585 -7.111 200 HH21 ARG 27 HH21 ARG 27 2.313 -17.382 -5.175 201 HH22 ARG 27 HH22 ARG 27 3.878 -17.901 -5.699 202 H ASN 28 H ASN 28 -0.882 -11.599 -7.652 203 HA ASN 28 HA ASN 28 0.117 -8.969 -7.984 204 HB2 ASN 28 HB2 ASN 28 -1.455 -9.150 -10.107 205 HB3 ASN 28 HB3 ASN 28 0.040 -10.076 -10.001 206 HD21 ASN 28 HD21 ASN 28 -0.043 -12.248 -9.995 207 HD22 ASN 28 HD22 ASN 28 -1.502 -13.169 -10.074 208 H CYS 29 H CYS 29 -3.267 -10.038 -8.336 209 HA CYS 29 HA CYS 29 -4.214 -7.373 -7.762 210 HB2 CYS 29 HB2 CYS 29 -5.190 -9.444 -9.269 211 HB3 CYS 29 HB3 CYS 29 -6.198 -9.540 -7.829 212 H ALA 30 H ALA 30 -2.895 -7.969 -5.574 213 HA ALA 30 HA ALA 30 -4.051 -9.453 -3.552 214 HB1 ALA 30 HB1 ALA 30 -1.828 -8.172 -3.579 215 HB2 ALA 30 HB2 ALA 30 -2.772 -6.798 -3.001 216 HB3 ALA 30 HB3 ALA 30 -2.703 -8.283 -2.051 217 H ILE 31 H ILE 31 -4.629 -6.026 -4.328 218 HA ILE 31 HA ILE 31 -6.428 -5.400 -2.336 219 HB ILE 31 HB ILE 31 -6.526 -4.450 -5.201 220 HG12 ILE 31 HG12 ILE 31 -5.145 -3.261 -2.785 221 HG13 ILE 31 HG13 ILE 31 -4.339 -4.094 -4.109 222 HG21 ILE 31 HG21 ILE 31 -7.677 -3.236 -2.692 223 HG22 ILE 31 HG22 ILE 31 -7.676 -2.487 -4.287 224 HG23 ILE 31 HG23 ILE 31 -8.591 -3.968 -4.010 225 HD11 ILE 31 HD11 ILE 31 -4.137 -1.695 -4.344 226 HD12 ILE 31 HD12 ILE 31 -5.111 -2.364 -5.653 227 HD13 ILE 31 HD13 ILE 31 -5.892 -1.526 -4.313 228 H THR 32 H THR 32 -7.484 -6.111 -5.663 229 HA THR 32 HA THR 32 -10.136 -6.467 -5.274 230 HB THR 32 HB THR 32 -8.382 -8.177 -7.048 231 HG1 THR 32 HG1 THR 32 -9.547 -5.633 -7.275 232 HG21 THR 32 HG21 THR 32 -11.175 -8.364 -6.472 233 HG22 THR 32 HG22 THR 32 -10.213 -9.315 -7.604 234 HG23 THR 32 HG23 THR 32 -10.968 -7.812 -8.134 235 H CYS 33 H CYS 33 -7.791 -9.157 -5.119 236 HA CYS 33 HA CYS 33 -9.500 -11.149 -4.279 237 HB2 CYS 33 HB2 CYS 33 -6.688 -10.788 -4.481 238 HB3 CYS 33 HB3 CYS 33 -7.020 -11.471 -2.893 239 H GLY 34 H GLY 34 -7.712 -8.821 -2.279 240 HA2 GLY 34 HA2 GLY 34 -9.026 -7.935 -0.356 241 HA3 GLY 34 HA3 GLY 34 -9.439 -9.608 -0.013 242 H ALA 35 H ALA 35 -6.414 -7.853 -0.717 243 HA ALA 35 HA ALA 35 -5.367 -8.681 1.881 244 HB1 ALA 35 HB1 ALA 35 -3.211 -9.376 0.709 245 HB2 ALA 35 HB2 ALA 35 -4.578 -10.487 0.611 246 HB3 ALA 35 HB3 ALA 35 -4.178 -9.457 -0.764 247 H CYS 36 H CYS 36 -6.157 -6.140 1.162 248 HA CYS 36 HA CYS 36 -3.822 -4.637 1.705 249 HB2 CYS 36 HB2 CYS 36 -3.294 -4.932 -0.625 250 HB3 CYS 36 HB3 CYS 36 -4.926 -4.475 -1.103 Start of MODEL 19 1 H1 ALA 1 H ALA 1 4.960 -3.733 -0.213 2 HA ALA 1 HA ALA 1 2.923 -1.777 -0.760 3 HB1 ALA 1 HB1 ALA 1 3.971 -1.603 -2.709 4 HB2 ALA 1 HB2 ALA 1 5.110 -2.828 -2.149 5 HB3 ALA 1 HB3 ALA 1 3.686 -3.305 -3.073 6 H CYS 2 H CYS 2 0.835 -2.245 -0.618 7 HA CYS 2 HA CYS 2 -0.063 -4.930 -1.440 8 HB2 CYS 2 HB2 CYS 2 -0.423 -4.527 0.948 9 HB3 CYS 2 HB3 CYS 2 -1.311 -3.053 0.578 10 H LYS 3 H LYS 3 -0.192 -4.145 -3.629 11 HA LYS 3 HA LYS 3 -2.674 -2.643 -4.103 12 HB2 LYS 3 HB2 LYS 3 -1.721 -1.203 -5.631 13 HB3 LYS 3 HB3 LYS 3 -0.408 -1.370 -4.473 14 HG2 LYS 3 HG2 LYS 3 -0.677 -2.776 -7.121 15 HG3 LYS 3 HG3 LYS 3 0.478 -1.510 -6.695 16 HD2 LYS 3 HD2 LYS 3 1.091 -3.252 -4.784 17 HD3 LYS 3 HD3 LYS 3 0.452 -4.392 -5.971 18 HE2 LYS 3 HE2 LYS 3 2.000 -3.167 -7.635 19 HE3 LYS 3 HE3 LYS 3 2.805 -2.548 -6.195 20 HZ1 LYS 3 HZ1 LYS 3 3.756 -4.512 -5.798 21 HZ2 LYS 3 HZ2 LYS 3 3.373 -4.892 -7.401 22 HZ3 LYS 3 HZ3 LYS 3 2.353 -5.391 -6.147 23 H ASP 4 H ASP 4 -3.229 -2.838 -6.571 24 HA ASP 4 HA ASP 4 -3.118 -5.701 -7.194 25 HB2 ASP 4 HB2 ASP 4 -5.066 -5.282 -8.627 26 HB3 ASP 4 HB3 ASP 4 -5.356 -4.721 -6.983 27 H VAL 5 H VAL 5 -1.570 -6.265 -8.568 28 HA VAL 5 HA VAL 5 -0.432 -4.387 -10.434 29 HB VAL 5 HB VAL 5 0.118 -7.349 -10.293 30 HG11 VAL 5 HG11 VAL 5 2.450 -6.106 -10.926 31 HG12 VAL 5 HG12 VAL 5 1.320 -6.777 -12.103 32 HG13 VAL 5 HG13 VAL 5 1.273 -5.057 -11.715 33 HG21 VAL 5 HG21 VAL 5 0.486 -6.621 -8.085 34 HG22 VAL 5 HG22 VAL 5 2.078 -6.613 -8.845 35 HG23 VAL 5 HG23 VAL 5 1.202 -5.099 -8.619 36 H PHE 6 H PHE 6 -2.408 -7.322 -10.625 37 HA PHE 6 HA PHE 6 -2.523 -7.315 -13.483 38 HB2 PHE 6 HB2 PHE 6 -3.809 -8.876 -11.292 39 HB3 PHE 6 HB3 PHE 6 -4.572 -8.899 -12.878 40 HD1 PHE 6 HD1 PHE 6 -1.020 -8.973 -11.734 41 HD2 PHE 6 HD2 PHE 6 -4.114 -10.863 -13.963 42 HE1 PHE 6 HE1 PHE 6 0.570 -10.702 -12.468 43 HE2 PHE 6 HE2 PHE 6 -2.530 -12.596 -14.700 44 HZ PHE 6 HZ PHE 6 -0.184 -12.516 -13.953 45 HA PRO 7 HA PRO 7 -5.873 -4.603 -14.293 46 HB2 PRO 7 HB2 PRO 7 -7.237 -5.917 -16.238 47 HB3 PRO 7 HB3 PRO 7 -5.664 -5.158 -16.513 48 HG2 PRO 7 HG2 PRO 7 -6.315 -8.033 -15.990 49 HG3 PRO 7 HG3 PRO 7 -5.182 -7.338 -17.163 50 HD2 PRO 7 HD2 PRO 7 -4.373 -8.383 -14.800 51 HD3 PRO 7 HD3 PRO 7 -3.537 -7.024 -15.579 52 H ALA 8 H ALA 8 -7.828 -4.144 -13.453 53 HA ALA 8 HA ALA 8 -9.113 -5.823 -11.655 54 HB1 ALA 8 HB1 ALA 8 -9.411 -3.417 -11.624 55 HB2 ALA 8 HB2 ALA 8 -10.261 -3.480 -13.168 56 HB3 ALA 8 HB3 ALA 8 -10.976 -4.222 -11.737 57 H ALA 9 H ALA 9 -9.384 -5.650 -15.097 58 HA ALA 9 HA ALA 9 -11.937 -6.879 -15.354 59 HB1 ALA 9 HB1 ALA 9 -9.666 -6.315 -17.203 60 HB2 ALA 9 HB2 ALA 9 -10.944 -7.419 -17.714 61 HB3 ALA 9 HB3 ALA 9 -11.339 -5.758 -17.269 62 H THR 10 H THR 10 -8.614 -8.106 -15.393 63 HA THR 10 HA THR 10 -9.455 -10.827 -15.828 64 HB THR 10 HB THR 10 -6.745 -9.726 -15.059 65 HG1 THR 10 HG1 THR 10 -7.822 -10.546 -17.570 66 HG21 THR 10 HG21 THR 10 -7.766 -12.448 -15.327 67 HG22 THR 10 HG22 THR 10 -6.267 -11.869 -14.601 68 HG23 THR 10 HG23 THR 10 -6.361 -12.129 -16.342 69 H CYS 11 H CYS 11 -8.999 -8.768 -13.124 70 HA CYS 11 HA CYS 11 -8.651 -10.951 -11.238 71 HB2 CYS 11 HB2 CYS 11 -9.012 -7.987 -10.745 72 HB3 CYS 11 HB3 CYS 11 -8.566 -9.186 -9.535 73 H ARG 12 H ARG 12 -11.062 -8.414 -11.890 74 HA ARG 12 HA ARG 12 -12.956 -9.043 -10.007 75 HB2 ARG 12 HB2 ARG 12 -14.583 -7.984 -11.421 76 HB3 ARG 12 HB3 ARG 12 -13.056 -7.133 -11.611 77 HG2 ARG 12 HG2 ARG 12 -12.656 -8.411 -13.694 78 HG3 ARG 12 HG3 ARG 12 -14.258 -9.128 -13.516 79 HD2 ARG 12 HD2 ARG 12 -14.999 -6.609 -13.340 80 HD3 ARG 12 HD3 ARG 12 -13.486 -6.334 -14.202 81 HE ARG 12 HE ARG 12 -14.860 -8.346 -15.545 82 HH11 ARG 12 HH11 ARG 12 -15.247 -4.967 -14.801 83 HH12 ARG 12 HH12 ARG 12 -16.170 -4.625 -16.227 84 HH21 ARG 12 HH21 ARG 12 -16.074 -7.908 -17.426 85 HH22 ARG 12 HH22 ARG 12 -16.640 -6.299 -17.719 86 H HIS 13 H HIS 13 -12.286 -10.676 -13.044 87 HA HIS 13 HA HIS 13 -14.576 -12.304 -13.144 88 HB2 HIS 13 HB2 HIS 13 -12.581 -11.879 -14.859 89 HB3 HIS 13 HB3 HIS 13 -11.982 -13.374 -14.146 90 HD1 HIS 13 HD1 HIS 13 -15.471 -12.332 -15.277 91 HD2 HIS 13 HD2 HIS 13 -12.683 -15.363 -15.826 92 HE1 HIS 13 HE1 HIS 13 -16.577 -13.994 -16.805 93 H ALA 14 H ALA 14 -11.443 -12.739 -11.578 94 HA ALA 14 HA ALA 14 -11.874 -15.421 -10.761 95 HB1 ALA 14 HB1 ALA 14 -9.883 -13.323 -10.251 96 HB2 ALA 14 HB2 ALA 14 -10.084 -14.498 -8.950 97 HB3 ALA 14 HB3 ALA 14 -9.667 -15.043 -10.575 98 H LYS 15 H LYS 15 -12.512 -12.292 -9.270 99 HA LYS 15 HA LYS 15 -13.279 -13.363 -6.735 100 HB2 LYS 15 HB2 LYS 15 -14.170 -10.690 -7.779 101 HB3 LYS 15 HB3 LYS 15 -13.812 -11.160 -6.122 102 HG2 LYS 15 HG2 LYS 15 -11.807 -10.806 -8.342 103 HG3 LYS 15 HG3 LYS 15 -12.088 -9.700 -6.996 104 HD2 LYS 15 HD2 LYS 15 -11.087 -11.092 -5.465 105 HD3 LYS 15 HD3 LYS 15 -11.431 -12.547 -6.404 106 HE2 LYS 15 HE2 LYS 15 -9.766 -11.036 -8.037 107 HE3 LYS 15 HE3 LYS 15 -9.092 -10.839 -6.420 108 HZ1 LYS 15 HZ1 LYS 15 -9.690 -13.513 -6.645 109 HZ2 LYS 15 HZ2 LYS 15 -8.152 -12.811 -6.703 110 HZ3 LYS 15 HZ3 LYS 15 -9.003 -13.101 -8.136 111 H SER 16 H SER 16 -14.856 -12.926 -9.763 112 HA SER 16 HA SER 16 -17.526 -13.082 -8.627 113 HB2 SER 16 HB2 SER 16 -17.229 -11.640 -10.556 114 HB3 SER 16 HB3 SER 16 -16.565 -12.977 -11.496 115 HG SER 16 HG SER 16 -19.144 -12.293 -11.086 116 H VAL 17 H VAL 17 -15.210 -15.124 -10.278 117 HA VAL 17 HA VAL 17 -17.097 -17.311 -10.552 118 HB VAL 17 HB VAL 17 -15.269 -18.550 -11.562 119 HG11 VAL 17 HG11 VAL 17 -16.314 -17.276 -13.180 120 HG12 VAL 17 HG12 VAL 17 -15.768 -15.751 -12.481 121 HG13 VAL 17 HG13 VAL 17 -14.632 -16.778 -13.356 122 HG21 VAL 17 HG21 VAL 17 -13.099 -17.106 -11.910 123 HG22 VAL 17 HG22 VAL 17 -13.632 -16.342 -10.412 124 HG23 VAL 17 HG23 VAL 17 -13.317 -18.077 -10.454 125 H GLY 18 H GLY 18 -14.470 -16.334 -8.453 126 HA2 GLY 18 HA2 GLY 18 -14.392 -17.086 -6.180 127 HA3 GLY 18 HA3 GLY 18 -15.136 -18.594 -6.692 128 H ASN 19 H ASN 19 -12.377 -16.936 -8.159 129 HA ASN 19 HA ASN 19 -10.768 -19.337 -7.616 130 HB2 ASN 19 HB2 ASN 19 -11.192 -17.815 -9.983 131 HB3 ASN 19 HB3 ASN 19 -9.504 -17.622 -9.519 132 HD21 ASN 19 HD21 ASN 19 -11.090 -19.182 -11.639 133 HD22 ASN 19 HD22 ASN 19 -10.374 -20.754 -11.587 134 H CYS 20 H CYS 20 -11.240 -16.965 -5.841 135 HA CYS 20 HA CYS 20 -8.915 -15.372 -5.747 136 HB2 CYS 20 HB2 CYS 20 -11.330 -15.435 -4.402 137 HB3 CYS 20 HB3 CYS 20 -10.167 -15.854 -3.149 138 H SER 21 H SER 21 -9.575 -18.590 -4.691 139 HA SER 21 HA SER 21 -7.662 -18.880 -2.667 140 HB2 SER 21 HB2 SER 21 -9.201 -20.642 -2.847 141 HB3 SER 21 HB3 SER 21 -8.946 -20.811 -4.583 142 HG SER 21 HG SER 21 -7.647 -22.009 -2.536 143 H SER 22 H SER 22 -7.410 -19.331 -6.173 144 HA SER 22 HA SER 22 -4.856 -20.363 -6.351 145 HB2 SER 22 HB2 SER 22 -6.737 -19.156 -8.132 146 HB3 SER 22 HB3 SER 22 -5.145 -18.471 -8.458 147 HG SER 22 HG SER 22 -6.043 -20.783 -9.257 148 H GLU 23 H GLU 23 -2.862 -19.240 -7.101 149 HA GLU 23 HA GLU 23 -2.406 -16.875 -5.433 150 HB2 GLU 23 HB2 GLU 23 -0.973 -19.000 -5.284 151 HB3 GLU 23 HB3 GLU 23 -0.283 -18.497 -6.820 152 HG2 GLU 23 HG2 GLU 23 0.854 -16.758 -5.905 153 HG3 GLU 23 HG3 GLU 23 -0.334 -16.507 -4.628 154 H LYS 24 H LYS 24 -2.330 -17.987 -8.740 155 HA LYS 24 HA LYS 24 -0.829 -16.074 -10.012 156 HB2 LYS 24 HB2 LYS 24 -1.833 -17.956 -11.190 157 HB3 LYS 24 HB3 LYS 24 -3.440 -17.288 -10.935 158 HG2 LYS 24 HG2 LYS 24 -2.918 -15.399 -12.351 159 HG3 LYS 24 HG3 LYS 24 -1.262 -15.977 -12.550 160 HD2 LYS 24 HD2 LYS 24 -1.883 -17.690 -13.946 161 HD3 LYS 24 HD3 LYS 24 -3.506 -17.802 -13.262 162 HE2 LYS 24 HE2 LYS 24 -3.970 -15.555 -14.316 163 HE3 LYS 24 HE3 LYS 24 -2.440 -15.734 -15.173 164 HZ1 LYS 24 HZ1 LYS 24 -4.522 -17.823 -15.315 165 HZ2 LYS 24 HZ2 LYS 24 -3.240 -17.534 -16.379 166 HZ3 LYS 24 HZ3 LYS 24 -4.563 -16.480 -16.343 167 H TYR 25 H TYR 25 -4.023 -15.753 -8.626 168 HA TYR 25 HA TYR 25 -3.998 -12.900 -9.367 169 HB2 TYR 25 HB2 TYR 25 -6.651 -13.784 -8.738 170 HB3 TYR 25 HB3 TYR 25 -6.044 -13.102 -10.242 171 HD1 TYR 25 HD1 TYR 25 -4.938 -14.697 -11.908 172 HD2 TYR 25 HD2 TYR 25 -7.289 -16.034 -8.623 173 HE1 TYR 25 HE1 TYR 25 -5.253 -16.866 -13.023 174 HE2 TYR 25 HE2 TYR 25 -7.610 -18.207 -9.729 175 HH TYR 25 HH TYR 25 -5.891 -19.461 -11.852 176 H LYS 26 H LYS 26 -2.715 -13.721 -7.092 177 HA LYS 26 HA LYS 26 -4.423 -12.547 -5.022 178 HB2 LYS 26 HB2 LYS 26 -4.080 -15.212 -5.029 179 HB3 LYS 26 HB3 LYS 26 -2.628 -14.746 -4.151 180 HG2 LYS 26 HG2 LYS 26 -3.824 -13.870 -2.376 181 HG3 LYS 26 HG3 LYS 26 -5.293 -13.667 -3.334 182 HD2 LYS 26 HD2 LYS 26 -5.858 -15.515 -2.098 183 HD3 LYS 26 HD3 LYS 26 -5.142 -16.289 -3.514 184 HE2 LYS 26 HE2 LYS 26 -3.248 -15.598 -1.374 185 HE3 LYS 26 HE3 LYS 26 -4.444 -16.820 -0.945 186 HZ1 LYS 26 HZ1 LYS 26 -3.184 -18.282 -2.003 187 HZ2 LYS 26 HZ2 LYS 26 -2.145 -17.077 -2.575 188 HZ3 LYS 26 HZ3 LYS 26 -3.524 -17.494 -3.460 189 H ARG 27 H ARG 27 -1.170 -13.528 -6.011 190 HA ARG 27 HA ARG 27 0.161 -11.951 -4.036 191 HB2 ARG 27 HB2 ARG 27 2.198 -12.452 -5.330 192 HB3 ARG 27 HB3 ARG 27 1.251 -13.898 -5.002 193 HG2 ARG 27 HG2 ARG 27 1.177 -14.365 -7.161 194 HG3 ARG 27 HG3 ARG 27 0.411 -12.811 -7.494 195 HD2 ARG 27 HD2 ARG 27 2.520 -13.163 -8.749 196 HD3 ARG 27 HD3 ARG 27 2.550 -11.740 -7.708 197 HE ARG 27 HE ARG 27 3.628 -14.079 -6.449 198 HH11 ARG 27 HH11 ARG 27 4.333 -11.417 -8.580 199 HH12 ARG 27 HH12 ARG 27 6.033 -11.432 -8.248 200 HH21 ARG 27 HH21 ARG 27 5.865 -14.109 -6.004 201 HH22 ARG 27 HH22 ARG 27 6.904 -12.964 -6.784 202 H ASN 28 H ASN 28 -1.026 -11.387 -7.259 203 HA ASN 28 HA ASN 28 0.344 -8.808 -7.407 204 HB2 ASN 28 HB2 ASN 28 -0.998 -8.865 -9.710 205 HB3 ASN 28 HB3 ASN 28 0.535 -9.707 -9.506 206 HD21 ASN 28 HD21 ASN 28 0.584 -11.764 -10.045 207 HD22 ASN 28 HD22 ASN 28 -0.787 -12.803 -10.213 208 H CYS 29 H CYS 29 -2.963 -10.011 -8.010 209 HA CYS 29 HA CYS 29 -4.076 -7.387 -7.578 210 HB2 CYS 29 HB2 CYS 29 -4.914 -9.798 -8.830 211 HB3 CYS 29 HB3 CYS 29 -6.093 -9.413 -7.581 212 H ALA 30 H ALA 30 -3.224 -7.180 -5.370 213 HA ALA 30 HA ALA 30 -4.376 -8.831 -3.303 214 HB1 ALA 30 HB1 ALA 30 -2.063 -7.638 -3.333 215 HB2 ALA 30 HB2 ALA 30 -2.980 -6.249 -2.747 216 HB3 ALA 30 HB3 ALA 30 -2.971 -7.753 -1.825 217 H ILE 31 H ILE 31 -4.954 -5.672 -4.710 218 HA ILE 31 HA ILE 31 -6.767 -4.773 -2.700 219 HB ILE 31 HB ILE 31 -6.460 -3.844 -5.558 220 HG12 ILE 31 HG12 ILE 31 -5.295 -2.766 -2.981 221 HG13 ILE 31 HG13 ILE 31 -4.400 -3.602 -4.246 222 HG21 ILE 31 HG21 ILE 31 -7.859 -2.575 -3.209 223 HG22 ILE 31 HG22 ILE 31 -7.561 -1.784 -4.756 224 HG23 ILE 31 HG23 ILE 31 -8.613 -3.198 -4.677 225 HD11 ILE 31 HD11 ILE 31 -5.016 -0.832 -4.005 226 HD12 ILE 31 HD12 ILE 31 -4.007 -1.651 -5.198 227 HD13 ILE 31 HD13 ILE 31 -5.737 -1.463 -5.485 228 H THR 32 H THR 32 -7.052 -6.733 -5.551 229 HA THR 32 HA THR 32 -9.953 -6.536 -5.602 230 HB THR 32 HB THR 32 -8.213 -8.361 -7.264 231 HG1 THR 32 HG1 THR 32 -9.152 -5.749 -7.918 232 HG21 THR 32 HG21 THR 32 -10.471 -7.493 -8.676 233 HG22 THR 32 HG22 THR 32 -11.051 -7.898 -7.060 234 HG23 THR 32 HG23 THR 32 -10.180 -9.100 -8.012 235 H CYS 33 H CYS 33 -7.465 -8.985 -4.956 236 HA CYS 33 HA CYS 33 -9.501 -10.860 -4.038 237 HB2 CYS 33 HB2 CYS 33 -7.450 -11.469 -5.490 238 HB3 CYS 33 HB3 CYS 33 -6.534 -11.352 -3.991 239 H GLY 34 H GLY 34 -6.367 -9.731 -2.744 240 HA2 GLY 34 HA2 GLY 34 -6.711 -10.549 -0.129 241 HA3 GLY 34 HA3 GLY 34 -5.740 -9.165 -0.608 242 H ALA 35 H ALA 35 -8.113 -7.788 -1.736 243 HA ALA 35 HA ALA 35 -9.703 -6.293 -1.088 244 HB1 ALA 35 HB1 ALA 35 -10.772 -8.402 -0.220 245 HB2 ALA 35 HB2 ALA 35 -10.114 -7.988 1.364 246 HB3 ALA 35 HB3 ALA 35 -11.268 -6.910 0.579 247 H CYS 36 H CYS 36 -7.088 -5.641 -0.503 248 HA CYS 36 HA CYS 36 -6.439 -4.961 2.093 249 HB2 CYS 36 HB2 CYS 36 -5.415 -4.428 -0.470 250 HB3 CYS 36 HB3 CYS 36 -5.629 -2.855 0.292 Start of MODEL 20 1 H1 ALA 1 H ALA 1 3.205 -0.059 1.169 2 HA ALA 1 HA ALA 1 0.410 0.390 0.665 3 HB1 ALA 1 HB1 ALA 1 2.094 0.984 -1.593 4 HB2 ALA 1 HB2 ALA 1 1.161 2.077 -0.569 5 HB3 ALA 1 HB3 ALA 1 2.798 1.615 -0.104 6 H CYS 2 H CYS 2 -0.926 -0.833 -0.496 7 HA CYS 2 HA CYS 2 0.239 -2.943 -2.192 8 HB2 CYS 2 HB2 CYS 2 -2.242 -2.905 -0.488 9 HB3 CYS 2 HB3 CYS 2 -2.047 -4.065 -1.798 10 H LYS 3 H LYS 3 -0.618 -3.308 -4.222 11 HA LYS 3 HA LYS 3 -2.859 -1.721 -5.157 12 HB2 LYS 3 HB2 LYS 3 -1.641 -0.672 -6.979 13 HB3 LYS 3 HB3 LYS 3 -0.929 -0.210 -5.439 14 HG2 LYS 3 HG2 LYS 3 0.999 -0.708 -6.465 15 HG3 LYS 3 HG3 LYS 3 0.574 -2.368 -6.043 16 HD2 LYS 3 HD2 LYS 3 -0.092 -2.885 -8.190 17 HD3 LYS 3 HD3 LYS 3 -0.436 -1.203 -8.600 18 HE2 LYS 3 HE2 LYS 3 2.370 -2.012 -7.990 19 HE3 LYS 3 HE3 LYS 3 1.683 -2.419 -9.562 20 HZ1 LYS 3 HZ1 LYS 3 1.129 -0.040 -9.828 21 HZ2 LYS 3 HZ2 LYS 3 2.792 -0.326 -9.721 22 HZ3 LYS 3 HZ3 LYS 3 1.954 0.295 -8.389 23 H ASP 4 H ASP 4 -3.963 -2.719 -6.755 24 HA ASP 4 HA ASP 4 -3.363 -5.413 -7.381 25 HB2 ASP 4 HB2 ASP 4 -5.258 -5.094 -9.079 26 HB3 ASP 4 HB3 ASP 4 -5.651 -4.848 -7.379 27 H VAL 5 H VAL 5 -1.823 -6.080 -8.710 28 HA VAL 5 HA VAL 5 -0.713 -4.351 -10.730 29 HB VAL 5 HB VAL 5 -0.095 -7.271 -10.285 30 HG11 VAL 5 HG11 VAL 5 1.228 -5.028 -11.760 31 HG12 VAL 5 HG12 VAL 5 2.179 -6.384 -11.149 32 HG13 VAL 5 HG13 VAL 5 0.875 -6.669 -12.303 33 HG21 VAL 5 HG21 VAL 5 1.073 -4.833 -8.950 34 HG22 VAL 5 HG22 VAL 5 0.208 -6.162 -8.177 35 HG23 VAL 5 HG23 VAL 5 1.797 -6.440 -8.892 36 H PHE 6 H PHE 6 -2.521 -7.409 -10.698 37 HA PHE 6 HA PHE 6 -2.595 -7.782 -13.482 38 HB2 PHE 6 HB2 PHE 6 -4.096 -8.849 -11.150 39 HB3 PHE 6 HB3 PHE 6 -4.842 -9.040 -12.733 40 HD1 PHE 6 HD1 PHE 6 -1.208 -9.038 -12.241 41 HD2 PHE 6 HD2 PHE 6 -4.692 -11.426 -12.760 42 HE1 PHE 6 HE1 PHE 6 0.208 -11.005 -12.667 43 HE2 PHE 6 HE2 PHE 6 -3.282 -13.397 -13.186 44 HZ PHE 6 HZ PHE 6 -0.829 -13.188 -13.141 45 HA PRO 7 HA PRO 7 -5.630 -4.999 -14.992 46 HB2 PRO 7 HB2 PRO 7 -6.992 -6.523 -16.779 47 HB3 PRO 7 HB3 PRO 7 -5.342 -5.954 -17.062 48 HG2 PRO 7 HG2 PRO 7 -6.284 -8.629 -16.104 49 HG3 PRO 7 HG3 PRO 7 -5.025 -8.246 -17.292 50 HD2 PRO 7 HD2 PRO 7 -4.456 -8.917 -14.731 51 HD3 PRO 7 HD3 PRO 7 -3.455 -7.789 -15.667 52 H ALA 8 H ALA 8 -7.714 -4.304 -14.665 53 HA ALA 8 HA ALA 8 -9.212 -5.426 -12.590 54 HB1 ALA 8 HB1 ALA 8 -10.049 -3.472 -14.728 55 HB2 ALA 8 HB2 ALA 8 -10.991 -3.846 -13.284 56 HB3 ALA 8 HB3 ALA 8 -9.406 -3.090 -13.131 57 H ALA 9 H ALA 9 -9.470 -5.795 -16.082 58 HA ALA 9 HA ALA 9 -11.943 -6.981 -16.335 59 HB1 ALA 9 HB1 ALA 9 -11.090 -6.742 -18.400 60 HB2 ALA 9 HB2 ALA 9 -9.435 -7.032 -17.864 61 HB3 ALA 9 HB3 ALA 9 -10.518 -8.393 -18.153 62 H THR 10 H THR 10 -8.846 -8.601 -15.656 63 HA THR 10 HA THR 10 -10.067 -11.171 -15.329 64 HB THR 10 HB THR 10 -7.299 -10.197 -14.601 65 HG1 THR 10 HG1 THR 10 -6.835 -11.577 -16.504 66 HG21 THR 10 HG21 THR 10 -8.668 -12.625 -13.894 67 HG22 THR 10 HG22 THR 10 -7.042 -12.097 -13.464 68 HG23 THR 10 HG23 THR 10 -7.314 -12.982 -14.965 69 H CYS 11 H CYS 11 -8.620 -8.812 -13.088 70 HA CYS 11 HA CYS 11 -8.835 -10.058 -10.696 71 HB2 CYS 11 HB2 CYS 11 -9.509 -7.191 -11.367 72 HB3 CYS 11 HB3 CYS 11 -9.382 -7.789 -9.716 73 H ARG 12 H ARG 12 -11.450 -7.904 -11.810 74 HA ARG 12 HA ARG 12 -13.371 -8.687 -9.997 75 HB2 ARG 12 HB2 ARG 12 -15.021 -7.776 -11.522 76 HB3 ARG 12 HB3 ARG 12 -13.586 -6.760 -11.527 77 HG2 ARG 12 HG2 ARG 12 -12.924 -8.241 -13.586 78 HG3 ARG 12 HG3 ARG 12 -14.663 -8.534 -13.658 79 HD2 ARG 12 HD2 ARG 12 -13.716 -5.731 -13.356 80 HD3 ARG 12 HD3 ARG 12 -13.535 -6.507 -14.929 81 HE ARG 12 HE ARG 12 -15.944 -5.540 -13.780 82 HH11 ARG 12 HH11 ARG 12 -14.656 -8.084 -15.778 83 HH12 ARG 12 HH12 ARG 12 -16.144 -8.349 -16.625 84 HH21 ARG 12 HH21 ARG 12 -17.908 -5.879 -14.889 85 HH22 ARG 12 HH22 ARG 12 -17.993 -7.094 -16.120 86 H HIS 13 H HIS 13 -12.463 -10.202 -13.037 87 HA HIS 13 HA HIS 13 -14.609 -12.005 -13.244 88 HB2 HIS 13 HB2 HIS 13 -12.736 -11.403 -14.953 89 HB3 HIS 13 HB3 HIS 13 -11.842 -12.705 -14.174 90 HD1 HIS 13 HD1 HIS 13 -14.103 -12.114 -16.878 91 HD2 HIS 13 HD2 HIS 13 -13.473 -15.229 -14.202 92 HE1 HIS 13 HE1 HIS 13 -15.178 -14.130 -17.929 93 H ALA 14 H ALA 14 -11.584 -12.140 -11.469 94 HA ALA 14 HA ALA 14 -11.769 -14.892 -10.758 95 HB1 ALA 14 HB1 ALA 14 -10.232 -13.599 -8.810 96 HB2 ALA 14 HB2 ALA 14 -9.654 -14.453 -10.242 97 HB3 ALA 14 HB3 ALA 14 -9.946 -12.715 -10.309 98 H LYS 15 H LYS 15 -12.778 -11.876 -9.234 99 HA LYS 15 HA LYS 15 -13.553 -13.039 -6.759 100 HB2 LYS 15 HB2 LYS 15 -14.715 -10.508 -7.901 101 HB3 LYS 15 HB3 LYS 15 -14.458 -10.927 -6.212 102 HG2 LYS 15 HG2 LYS 15 -12.342 -10.274 -8.251 103 HG3 LYS 15 HG3 LYS 15 -12.846 -9.280 -6.882 104 HD2 LYS 15 HD2 LYS 15 -11.541 -11.997 -6.718 105 HD3 LYS 15 HD3 LYS 15 -10.755 -10.448 -6.403 106 HE2 LYS 15 HE2 LYS 15 -11.414 -10.567 -4.287 107 HE3 LYS 15 HE3 LYS 15 -13.094 -10.534 -4.822 108 HZ1 LYS 15 HZ1 LYS 15 -13.253 -12.567 -3.981 109 HZ2 LYS 15 HZ2 LYS 15 -11.582 -12.704 -3.760 110 HZ3 LYS 15 HZ3 LYS 15 -12.274 -13.111 -5.249 111 H SER 16 H SER 16 -15.085 -12.694 -9.852 112 HA SER 16 HA SER 16 -17.720 -13.336 -8.804 113 HB2 SER 16 HB2 SER 16 -17.009 -11.796 -10.886 114 HB3 SER 16 HB3 SER 16 -17.215 -13.329 -11.734 115 HG SER 16 HG SER 16 -19.106 -11.775 -10.368 116 H VAL 17 H VAL 17 -15.458 -14.755 -11.167 117 HA VAL 17 HA VAL 17 -16.873 -17.202 -11.402 118 HB VAL 17 HB VAL 17 -15.117 -16.191 -13.006 119 HG11 VAL 17 HG11 VAL 17 -13.212 -17.879 -11.418 120 HG12 VAL 17 HG12 VAL 17 -12.860 -16.712 -12.694 121 HG13 VAL 17 HG13 VAL 17 -13.392 -16.153 -11.108 122 HG21 VAL 17 HG21 VAL 17 -15.082 -19.134 -12.340 123 HG22 VAL 17 HG22 VAL 17 -16.241 -18.317 -13.388 124 HG23 VAL 17 HG23 VAL 17 -14.545 -18.419 -13.861 125 H GLY 18 H GLY 18 -14.564 -16.002 -9.125 126 HA2 GLY 18 HA2 GLY 18 -14.125 -16.948 -7.026 127 HA3 GLY 18 HA3 GLY 18 -14.814 -18.463 -7.590 128 H ASN 19 H ASN 19 -12.224 -16.497 -9.010 129 HA ASN 19 HA ASN 19 -10.518 -18.874 -9.006 130 HB2 ASN 19 HB2 ASN 19 -10.943 -16.722 -10.837 131 HB3 ASN 19 HB3 ASN 19 -9.258 -16.691 -10.327 132 HD21 ASN 19 HD21 ASN 19 -11.238 -17.820 -12.619 133 HD22 ASN 19 HD22 ASN 19 -10.381 -19.239 -13.103 134 H CYS 20 H CYS 20 -10.903 -15.846 -7.445 135 HA CYS 20 HA CYS 20 -8.375 -15.078 -6.723 136 HB2 CYS 20 HB2 CYS 20 -10.320 -13.792 -6.071 137 HB3 CYS 20 HB3 CYS 20 -10.879 -15.095 -5.027 138 H SER 21 H SER 21 -10.210 -17.815 -5.560 139 HA SER 21 HA SER 21 -8.944 -18.484 -3.227 140 HB2 SER 21 HB2 SER 21 -9.763 -20.403 -5.422 141 HB3 SER 21 HB3 SER 21 -9.490 -20.827 -3.732 142 HG SER 21 HG SER 21 -11.702 -20.501 -4.149 143 H SER 22 H SER 22 -7.737 -18.798 -6.498 144 HA SER 22 HA SER 22 -5.506 -20.443 -5.885 145 HB2 SER 22 HB2 SER 22 -5.808 -18.509 -8.194 146 HB3 SER 22 HB3 SER 22 -4.705 -19.882 -8.106 147 HG SER 22 HG SER 22 -6.705 -21.169 -7.838 148 H GLU 23 H GLU 23 -3.299 -19.235 -6.914 149 HA GLU 23 HA GLU 23 -2.841 -16.967 -5.089 150 HB2 GLU 23 HB2 GLU 23 -1.733 -19.294 -4.617 151 HB3 GLU 23 HB3 GLU 23 -0.632 -18.819 -5.902 152 HG2 GLU 23 HG2 GLU 23 0.224 -17.038 -4.686 153 HG3 GLU 23 HG3 GLU 23 -1.159 -16.994 -3.594 154 H LYS 24 H LYS 24 -2.273 -18.379 -8.229 155 HA LYS 24 HA LYS 24 -0.330 -16.741 -9.288 156 HB2 LYS 24 HB2 LYS 24 -1.201 -18.609 -10.541 157 HB3 LYS 24 HB3 LYS 24 -2.798 -17.874 -10.613 158 HG2 LYS 24 HG2 LYS 24 -2.069 -16.206 -12.116 159 HG3 LYS 24 HG3 LYS 24 -0.371 -16.600 -11.842 160 HD2 LYS 24 HD2 LYS 24 -0.625 -18.716 -12.950 161 HD3 LYS 24 HD3 LYS 24 -2.371 -18.491 -13.076 162 HE2 LYS 24 HE2 LYS 24 -1.710 -16.326 -14.373 163 HE3 LYS 24 HE3 LYS 24 -0.166 -17.150 -14.586 164 HZ1 LYS 24 HZ1 LYS 24 -2.667 -18.558 -15.231 165 HZ2 LYS 24 HZ2 LYS 24 -1.116 -18.789 -15.863 166 HZ3 LYS 24 HZ3 LYS 24 -2.030 -17.446 -16.335 167 H TYR 25 H TYR 25 -3.660 -15.997 -8.580 168 HA TYR 25 HA TYR 25 -3.189 -13.242 -9.510 169 HB2 TYR 25 HB2 TYR 25 -5.982 -13.749 -9.494 170 HB3 TYR 25 HB3 TYR 25 -4.949 -13.396 -10.875 171 HD1 TYR 25 HD1 TYR 25 -3.855 -15.308 -12.095 172 HD2 TYR 25 HD2 TYR 25 -6.881 -15.909 -9.165 173 HE1 TYR 25 HE1 TYR 25 -4.247 -17.572 -12.972 174 HE2 TYR 25 HE2 TYR 25 -7.281 -18.175 -10.033 175 HH TYR 25 HH TYR 25 -5.960 -19.264 -13.002 176 H LYS 26 H LYS 26 -2.601 -14.105 -6.928 177 HA LYS 26 HA LYS 26 -4.732 -12.806 -5.360 178 HB2 LYS 26 HB2 LYS 26 -4.035 -15.366 -5.027 179 HB3 LYS 26 HB3 LYS 26 -2.806 -14.627 -4.010 180 HG2 LYS 26 HG2 LYS 26 -4.938 -13.333 -3.074 181 HG3 LYS 26 HG3 LYS 26 -5.732 -14.809 -3.628 182 HD2 LYS 26 HD2 LYS 26 -3.355 -14.702 -1.771 183 HD3 LYS 26 HD3 LYS 26 -5.030 -14.941 -1.267 184 HE2 LYS 26 HE2 LYS 26 -5.150 -17.010 -2.501 185 HE3 LYS 26 HE3 LYS 26 -3.538 -16.748 -3.166 186 HZ1 LYS 26 HZ1 LYS 26 -3.883 -18.288 -1.115 187 HZ2 LYS 26 HZ2 LYS 26 -3.879 -16.834 -0.251 188 HZ3 LYS 26 HZ3 LYS 26 -2.538 -17.263 -1.189 189 H ARG 27 H ARG 27 -1.284 -13.176 -5.900 190 HA ARG 27 HA ARG 27 -0.525 -11.335 -3.832 191 HB2 ARG 27 HB2 ARG 27 1.730 -11.517 -4.820 192 HB3 ARG 27 HB3 ARG 27 1.012 -13.090 -4.499 193 HG2 ARG 27 HG2 ARG 27 0.366 -13.211 -6.900 194 HG3 ARG 27 HG3 ARG 27 1.271 -11.719 -7.165 195 HD2 ARG 27 HD2 ARG 27 2.586 -13.715 -7.734 196 HD3 ARG 27 HD3 ARG 27 3.312 -12.792 -6.418 197 HE ARG 27 HE ARG 27 1.649 -14.812 -5.367 198 HH11 ARG 27 HH11 ARG 27 4.702 -14.374 -6.981 199 HH12 ARG 27 HH12 ARG 27 5.418 -15.793 -6.292 200 HH21 ARG 27 HH21 ARG 27 2.580 -16.683 -4.453 201 HH22 ARG 27 HH22 ARG 27 4.210 -17.106 -4.855 202 H ASN 28 H ASN 28 -0.838 -11.199 -7.360 203 HA ASN 28 HA ASN 28 0.077 -8.532 -7.631 204 HB2 ASN 28 HB2 ASN 28 -1.348 -8.756 -9.842 205 HB3 ASN 28 HB3 ASN 28 0.156 -9.653 -9.645 206 HD21 ASN 28 HD21 ASN 28 0.116 -11.831 -9.612 207 HD22 ASN 28 HD22 ASN 28 -1.317 -12.779 -9.793 208 H CYS 29 H CYS 29 -3.240 -9.757 -8.108 209 HA CYS 29 HA CYS 29 -4.332 -7.127 -7.645 210 HB2 CYS 29 HB2 CYS 29 -5.155 -9.233 -9.153 211 HB3 CYS 29 HB3 CYS 29 -6.171 -9.435 -7.730 212 H ALA 30 H ALA 30 -3.080 -7.553 -5.398 213 HA ALA 30 HA ALA 30 -4.436 -9.020 -3.401 214 HB1 ALA 30 HB1 ALA 30 -2.577 -8.523 -2.300 215 HB2 ALA 30 HB2 ALA 30 -2.115 -7.391 -3.572 216 HB3 ALA 30 HB3 ALA 30 -3.082 -6.835 -2.206 217 H ILE 31 H ILE 31 -4.746 -5.718 -4.568 218 HA ILE 31 HA ILE 31 -6.349 -4.696 -2.504 219 HB ILE 31 HB ILE 31 -6.352 -3.921 -5.423 220 HG12 ILE 31 HG12 ILE 31 -4.130 -3.747 -4.394 221 HG13 ILE 31 HG13 ILE 31 -4.794 -2.153 -4.733 222 HG21 ILE 31 HG21 ILE 31 -7.196 -1.744 -4.563 223 HG22 ILE 31 HG22 ILE 31 -8.328 -3.080 -4.360 224 HG23 ILE 31 HG23 ILE 31 -7.395 -2.498 -2.981 225 HD11 ILE 31 HD11 ILE 31 -5.563 -2.850 -2.107 226 HD12 ILE 31 HD12 ILE 31 -3.842 -3.200 -2.278 227 HD13 ILE 31 HD13 ILE 31 -4.453 -1.584 -2.630 228 H THR 32 H THR 32 -7.113 -6.635 -5.314 229 HA THR 32 HA THR 32 -9.978 -6.349 -4.894 230 HB THR 32 HB THR 32 -8.499 -8.058 -6.904 231 HG1 THR 32 HG1 THR 32 -9.490 -6.219 -8.259 232 HG21 THR 32 HG21 THR 32 -10.478 -8.847 -7.572 233 HG22 THR 32 HG22 THR 32 -11.179 -7.229 -7.608 234 HG23 THR 32 HG23 THR 32 -11.170 -8.153 -6.107 235 H CYS 33 H CYS 33 -7.657 -9.056 -5.060 236 HA CYS 33 HA CYS 33 -9.360 -11.062 -4.176 237 HB2 CYS 33 HB2 CYS 33 -6.582 -10.781 -4.704 238 HB3 CYS 33 HB3 CYS 33 -6.743 -11.546 -3.127 239 H GLY 34 H GLY 34 -7.002 -9.233 -2.211 240 HA2 GLY 34 HA2 GLY 34 -7.796 -8.274 -0.095 241 HA3 GLY 34 HA3 GLY 34 -8.746 -9.737 0.120 242 H ALA 35 H ALA 35 -5.402 -9.557 -0.989 243 HA ALA 35 HA ALA 35 -4.552 -10.786 1.549 244 HB1 ALA 35 HB1 ALA 35 -4.655 -12.587 0.001 245 HB2 ALA 35 HB2 ALA 35 -3.828 -11.649 -1.243 246 HB3 ALA 35 HB3 ALA 35 -2.953 -12.170 0.196 247 H CYS 36 H CYS 36 -4.116 -8.357 1.791 248 HA CYS 36 HA CYS 36 -1.662 -7.501 0.459 249 HB2 CYS 36 HB2 CYS 36 -3.430 -5.854 0.559 250 HB3 CYS 36 HB3 CYS 36 -3.566 -6.047 2.303
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