NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504849 | 2en8 | 10169 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.346 -28.121 -19.951 2 HA2 GLY 1 1HA GLY 1 1.868 -25.726 -20.899 3 HA3 GLY 1 2HA GLY 1 1.141 -26.432 -22.334 4 H SER 2 H SER 2 0.510 -25.887 -18.879 5 HA SER 2 HA SER 2 -2.257 -25.210 -19.579 6 HB2 SER 2 1HB SER 2 -3.196 -26.563 -17.876 7 HB3 SER 2 2HB SER 2 -2.032 -27.603 -18.696 8 HG SER 2 HG SER 2 -1.036 -27.801 -16.869 9 H SER 3 H SER 3 -2.977 -23.412 -18.617 10 HA SER 3 HA SER 3 -1.213 -21.814 -17.075 11 HB2 SER 3 1HB SER 3 -3.017 -20.201 -16.997 12 HB3 SER 3 2HB SER 3 -2.966 -20.911 -18.611 13 HG SER 3 HG SER 3 -4.779 -21.470 -16.510 14 H GLY 4 H GLY 4 -0.956 -21.632 -14.935 15 HA2 GLY 4 1HA GLY 4 -3.006 -22.819 -13.179 16 HA3 GLY 4 2HA GLY 4 -1.309 -23.221 -12.965 17 H SER 5 H SER 5 -3.063 -20.170 -13.534 18 HA SER 5 HA SER 5 -1.501 -18.959 -11.373 19 HB2 SER 5 1HB SER 5 -1.498 -17.815 -13.560 20 HB3 SER 5 2HB SER 5 -3.251 -17.646 -13.468 21 HG SER 5 HG SER 5 -2.541 -16.620 -11.274 22 H SER 6 H SER 6 -2.661 -19.873 -9.630 23 HA SER 6 HA SER 6 -5.490 -19.244 -9.375 24 HB2 SER 6 1HB SER 6 -4.610 -21.470 -8.680 25 HB3 SER 6 2HB SER 6 -3.668 -20.669 -7.422 26 HG SER 6 HG SER 6 -5.801 -21.544 -6.809 27 H GLY 7 H GLY 7 -6.374 -17.895 -7.825 28 HA2 GLY 7 1HA GLY 7 -4.454 -16.227 -6.323 29 HA3 GLY 7 2HA GLY 7 -5.794 -15.513 -7.208 30 H SER 8 H SER 8 -4.770 -16.514 -4.224 31 HA SER 8 HA SER 8 -7.535 -16.562 -3.226 32 HB2 SER 8 1HB SER 8 -7.000 -18.310 -1.639 33 HB3 SER 8 2HB SER 8 -6.584 -18.873 -3.257 34 HG SER 8 HG SER 8 -4.723 -17.702 -1.466 35 H GLY 9 H GLY 9 -7.791 -14.806 -2.019 36 HA2 GLY 9 1HA GLY 9 -5.820 -14.214 0.053 37 HA3 GLY 9 2HA GLY 9 -6.132 -12.949 -1.127 38 H GLU 10 H GLU 10 -7.814 -11.614 -0.813 39 HA GLU 10 HA GLU 10 -10.115 -12.382 0.722 40 HB2 GLU 10 1HB GLU 10 -8.198 -11.721 2.367 41 HB3 GLU 10 2HB GLU 10 -8.580 -10.078 1.872 42 HG2 GLU 10 1HG GLU 10 -10.760 -10.209 2.742 43 HG3 GLU 10 2HG GLU 10 -10.670 -11.961 2.912 44 H LYS 11 H LYS 11 -11.767 -10.730 0.750 45 HA LYS 11 HA LYS 11 -11.858 -9.263 -1.688 46 HB2 LYS 11 1HB LYS 11 -13.807 -10.317 -0.376 47 HB3 LYS 11 2HB LYS 11 -13.746 -8.870 0.623 48 HG2 LYS 11 1HG LYS 11 -15.307 -8.210 -0.882 49 HG3 LYS 11 2HG LYS 11 -13.857 -7.679 -1.737 50 HD2 LYS 11 1HD LYS 11 -15.107 -10.383 -2.166 51 HD3 LYS 11 2HD LYS 11 -15.559 -8.960 -3.107 52 HE2 LYS 11 1HE LYS 11 -13.935 -9.801 -4.467 53 HE3 LYS 11 2HE LYS 11 -12.935 -8.793 -3.422 54 HZ1 LYS 11 3HZ LYS 11 -13.053 -11.154 -2.093 55 HZ2 LYS 11 1HZ LYS 11 -11.772 -10.644 -3.074 56 HZ3 LYS 11 2HZ LYS 11 -12.976 -11.647 -3.709 57 H SER 12 H SER 12 -10.320 -8.595 1.152 58 HA SER 12 HA SER 12 -10.657 -5.686 0.851 59 HB2 SER 12 1HB SER 12 -11.218 -6.589 3.087 60 HB3 SER 12 2HB SER 12 -9.579 -7.226 3.226 61 HG SER 12 HG SER 12 -10.505 -4.634 3.479 62 H HIS 13 H HIS 13 -8.927 -4.398 0.445 63 HA HIS 13 HA HIS 13 -6.645 -5.518 -0.768 64 HB2 HIS 13 1HB HIS 13 -6.865 -2.705 0.307 65 HB3 HIS 13 2HB HIS 13 -5.853 -3.272 -1.018 66 HD1 HIS 13 HD1 HIS 13 -6.931 -3.481 -3.321 67 HD2 HIS 13 HD2 HIS 13 -9.605 -2.384 -0.337 68 HE1 HIS 13 HE1 HIS 13 -9.027 -2.782 -4.521 69 H THR 14 H THR 14 -4.832 -6.291 0.078 70 HA THR 14 HA THR 14 -4.199 -5.619 2.877 71 HB THR 14 HB THR 14 -3.568 -8.136 1.326 72 HG1 THR 14 HG1 THR 14 -5.730 -7.570 2.497 73 HG21 THR 14 3HG2 THR 14 -2.375 -8.947 3.186 74 HG22 THR 14 1HG2 THR 14 -2.943 -7.642 4.227 75 HG23 THR 14 2HG2 THR 14 -1.775 -7.306 2.949 76 H CYS 15 H CYS 15 -2.256 -4.768 3.353 77 HA CYS 15 HA CYS 15 -0.580 -3.861 1.220 78 HB2 CYS 15 1HB CYS 15 -1.012 -2.583 3.338 79 HB3 CYS 15 2HB CYS 15 -0.022 -3.764 4.189 80 H ASP 16 H ASP 16 0.878 -5.076 0.232 81 HA ASP 16 HA ASP 16 1.823 -7.542 1.318 82 HB2 ASP 16 1HB ASP 16 2.246 -6.001 -1.194 83 HB3 ASP 16 2HB ASP 16 3.465 -7.198 -0.761 84 H GLU 17 H GLU 17 2.753 -4.338 1.754 85 HA GLU 17 HA GLU 17 5.571 -4.713 2.039 86 HB2 GLU 17 1HB GLU 17 3.867 -2.517 3.223 87 HB3 GLU 17 2HB GLU 17 5.602 -2.475 2.945 88 HG2 GLU 17 1HG GLU 17 3.724 -2.885 0.660 89 HG3 GLU 17 2HG GLU 17 4.011 -1.269 1.303 90 H CYS 18 H CYS 18 2.837 -4.588 4.287 91 HA CYS 18 HA CYS 18 4.591 -5.749 6.350 92 HB2 CYS 18 1HB CYS 18 3.215 -4.556 8.045 93 HB3 CYS 18 2HB CYS 18 4.106 -3.467 6.988 94 H GLY 19 H GLY 19 1.292 -5.475 5.096 95 HA2 GLY 19 1HA GLY 19 0.114 -7.608 4.740 96 HA3 GLY 19 2HA GLY 19 0.727 -8.110 6.308 97 H LYS 20 H LYS 20 -0.411 -4.864 5.822 98 HA LYS 20 HA LYS 20 -2.389 -5.195 7.877 99 HB2 LYS 20 1HB LYS 20 -1.365 -2.917 6.238 100 HB3 LYS 20 2HB LYS 20 -2.917 -2.738 7.046 101 HG2 LYS 20 1HG LYS 20 -0.563 -3.690 8.606 102 HG3 LYS 20 2HG LYS 20 -0.716 -1.975 8.216 103 HD2 LYS 20 1HD LYS 20 -2.675 -1.743 9.450 104 HD3 LYS 20 2HD LYS 20 -3.012 -3.476 9.421 105 HE2 LYS 20 1HE LYS 20 -2.299 -3.033 11.613 106 HE3 LYS 20 2HE LYS 20 -0.898 -3.744 10.815 107 HZ1 LYS 20 3HZ LYS 20 -0.105 -1.897 12.000 108 HZ2 LYS 20 1HZ LYS 20 -1.365 -0.896 11.476 109 HZ3 LYS 20 2HZ LYS 20 -0.166 -1.386 10.388 110 H ASN 21 H ASN 21 -4.573 -3.895 7.322 111 HA ASN 21 HA ASN 21 -5.633 -4.944 4.789 112 HB2 ASN 21 1HB ASN 21 -6.182 -6.258 7.024 113 HB3 ASN 21 2HB ASN 21 -7.381 -4.982 7.211 114 HD21 ASN 21 1HD2 ASN 21 -6.162 -7.201 4.725 115 HD22 ASN 21 2HD2 ASN 21 -7.714 -7.589 4.071 116 H PHE 22 H PHE 22 -7.103 -3.664 3.754 117 HA PHE 22 HA PHE 22 -8.168 -1.316 5.113 118 HB2 PHE 22 1HB PHE 22 -6.620 -1.062 2.529 119 HB3 PHE 22 2HB PHE 22 -7.361 0.243 3.450 120 HD1 PHE 22 HD2 PHE 22 -4.584 -2.144 3.314 121 HD2 PHE 22 HD1 PHE 22 -6.311 1.130 5.414 122 HE1 PHE 22 HE2 PHE 22 -2.483 -1.838 4.557 123 HE2 PHE 22 HE1 PHE 22 -4.213 1.443 6.660 124 HZ PHE 22 HZ PHE 22 -2.296 -0.043 6.234 125 H CYS 23 H CYS 23 -10.278 -1.516 4.770 126 HA CYS 23 HA CYS 23 -11.575 -3.029 2.894 127 HB2 CYS 23 1HB CYS 23 -12.433 -0.482 4.264 128 HB3 CYS 23 2HB CYS 23 -13.516 -1.401 3.226 129 HG CYS 23 HG CYS 23 -14.406 -2.399 5.480 130 H TYR 24 H TYR 24 -10.647 0.383 2.609 131 HA TYR 24 HA TYR 24 -11.331 0.267 -0.251 132 HB2 TYR 24 1HB TYR 24 -10.968 2.885 0.119 133 HB3 TYR 24 2HB TYR 24 -12.507 2.098 0.452 134 HD1 TYR 24 HD2 TYR 24 -12.762 1.180 2.917 135 HD2 TYR 24 HD1 TYR 24 -10.044 4.238 1.748 136 HE1 TYR 24 HE2 TYR 24 -12.672 1.980 5.241 137 HE2 TYR 24 HE1 TYR 24 -9.946 5.046 4.069 138 HH TYR 24 HH TYR 24 -10.334 4.085 6.371 139 H ILE 25 H ILE 25 -9.724 0.180 -1.664 140 HA ILE 25 HA ILE 25 -7.066 -0.071 -1.111 141 HB ILE 25 HB ILE 25 -8.218 -0.428 -3.343 142 HG12 ILE 25 1HG1 ILE 25 -6.097 0.328 -4.626 143 HG13 ILE 25 2HG1 ILE 25 -5.515 0.861 -3.052 144 HG21 ILE 25 1HG2 ILE 25 -9.206 1.803 -3.535 145 HG22 ILE 25 2HG2 ILE 25 -7.594 2.504 -3.669 146 HG23 ILE 25 3HG2 ILE 25 -8.193 1.422 -4.926 147 HD11 ILE 25 3HD1 ILE 25 -6.101 -1.913 -3.999 148 HD12 ILE 25 1HD1 ILE 25 -4.619 -1.263 -3.298 149 HD13 ILE 25 2HD1 ILE 25 -6.036 -1.526 -2.280 150 H SER 26 H SER 26 -8.808 2.934 -1.796 151 HA SER 26 HA SER 26 -6.792 4.749 -2.026 152 HB2 SER 26 1HB SER 26 -9.362 5.081 -0.460 153 HB3 SER 26 2HB SER 26 -8.321 6.408 -0.976 154 HG SER 26 HG SER 26 -8.651 5.460 -3.169 155 H ALA 27 H ALA 27 -8.104 3.451 1.004 156 HA ALA 27 HA ALA 27 -6.533 4.970 2.762 157 HB1 ALA 27 3HB ALA 27 -7.004 2.391 3.880 158 HB2 ALA 27 1HB ALA 27 -7.800 3.921 4.248 159 HB3 ALA 27 2HB ALA 27 -8.428 2.886 2.965 160 H LEU 28 H LEU 28 -5.988 1.730 1.401 161 HA LEU 28 HA LEU 28 -3.642 1.068 2.687 162 HB2 LEU 28 1HB LEU 28 -4.446 -0.647 1.412 163 HB3 LEU 28 2HB LEU 28 -4.828 0.402 0.048 164 HG LEU 28 HG LEU 28 -2.321 0.534 -0.358 165 HD11 LEU 28 1HD1 LEU 28 -1.713 -2.007 0.767 166 HD12 LEU 28 2HD1 LEU 28 -2.293 -0.945 2.050 167 HD13 LEU 28 3HD1 LEU 28 -0.927 -0.453 1.049 168 HD21 LEU 28 3HD2 LEU 28 -2.456 -2.067 -1.096 169 HD22 LEU 28 1HD2 LEU 28 -3.205 -0.741 -1.986 170 HD23 LEU 28 2HD2 LEU 28 -4.166 -1.699 -0.859 171 H ARG 29 H ARG 29 -4.015 2.908 -0.332 172 HA ARG 29 HA ARG 29 -1.333 3.295 -0.927 173 HB2 ARG 29 1HB ARG 29 -3.540 5.312 -1.365 174 HB3 ARG 29 2HB ARG 29 -2.033 5.185 -2.262 175 HG2 ARG 29 1HG ARG 29 -4.153 3.050 -2.214 176 HG3 ARG 29 2HG ARG 29 -4.019 4.295 -3.457 177 HD2 ARG 29 1HD ARG 29 -1.991 2.170 -2.781 178 HD3 ARG 29 2HD ARG 29 -2.969 2.277 -4.244 179 HE ARG 29 HE ARG 29 -0.558 3.737 -3.654 180 HH11 ARG 29 1HH1 ARG 29 -3.480 3.648 -5.545 181 HH12 ARG 29 2HH1 ARG 29 -2.851 4.661 -6.803 182 HH21 ARG 29 1HH2 ARG 29 0.281 5.070 -5.303 183 HH22 ARG 29 2HH2 ARG 29 -0.712 5.468 -6.665 184 H ILE 30 H ILE 30 -3.463 5.208 1.162 185 HA ILE 30 HA ILE 30 -1.623 7.249 1.761 186 HB ILE 30 HB ILE 30 -3.897 6.213 3.458 187 HG12 ILE 30 1HG1 ILE 30 -3.875 8.623 1.641 188 HG13 ILE 30 2HG1 ILE 30 -4.425 7.038 1.108 189 HG21 ILE 30 1HG2 ILE 30 -2.762 7.493 4.969 190 HG22 ILE 30 2HG2 ILE 30 -2.044 8.519 3.728 191 HG23 ILE 30 3HG2 ILE 30 -3.731 8.745 4.192 192 HD11 ILE 30 3HD1 ILE 30 -5.959 9.002 2.277 193 HD12 ILE 30 1HD1 ILE 30 -6.403 7.307 2.073 194 HD13 ILE 30 2HD1 ILE 30 -5.680 7.854 3.586 195 H HIS 31 H HIS 31 -2.246 4.118 3.262 196 HA HIS 31 HA HIS 31 -0.521 4.532 5.491 197 HB2 HIS 31 1HB HIS 31 -2.044 2.858 5.930 198 HB3 HIS 31 2HB HIS 31 -1.951 2.197 4.300 199 HD1 HIS 31 HD1 HIS 31 -0.118 2.171 7.589 200 HD2 HIS 31 HD2 HIS 31 -0.120 0.161 3.954 201 HE1 HIS 31 HE1 HIS 31 1.394 0.188 7.917 202 H GLN 32 H GLN 32 -0.129 3.085 2.299 203 HA GLN 32 HA GLN 32 2.308 1.837 2.563 204 HB2 GLN 32 1HB GLN 32 1.030 3.294 0.271 205 HB3 GLN 32 2HB GLN 32 2.641 2.609 0.104 206 HG2 GLN 32 1HG GLN 32 1.543 0.432 0.962 207 HG3 GLN 32 2HG GLN 32 0.031 1.217 0.508 208 HE21 GLN 32 1HE2 GLN 32 0.233 2.301 -1.760 209 HE22 GLN 32 2HE2 GLN 32 0.873 1.274 -2.993 210 H ARG 33 H ARG 33 1.607 5.239 2.495 211 HA ARG 33 HA ARG 33 4.035 6.334 1.764 212 HB2 ARG 33 1HB ARG 33 2.194 7.340 3.941 213 HB3 ARG 33 2HB ARG 33 3.401 8.290 3.085 214 HG2 ARG 33 1HG ARG 33 2.184 8.111 1.034 215 HG3 ARG 33 2HG ARG 33 1.051 6.965 1.754 216 HD2 ARG 33 1HD ARG 33 0.353 8.733 3.346 217 HD3 ARG 33 2HD ARG 33 1.409 9.864 2.501 218 HE ARG 33 HE ARG 33 -0.430 8.608 0.726 219 HH11 ARG 33 1HH1 ARG 33 -0.126 11.123 3.114 220 HH12 ARG 33 2HH1 ARG 33 -1.416 12.078 2.462 221 HH21 ARG 33 1HH2 ARG 33 -2.130 9.857 -0.142 222 HH22 ARG 33 2HH2 ARG 33 -2.555 11.357 0.610 223 H VAL 34 H VAL 34 3.138 4.734 4.725 224 HA VAL 34 HA VAL 34 5.302 5.646 6.319 225 HB VAL 34 HB VAL 34 4.719 3.928 7.879 226 HG11 VAL 34 1HG1 VAL 34 2.486 4.488 8.334 227 HG12 VAL 34 2HG1 VAL 34 3.123 5.872 7.444 228 HG13 VAL 34 3HG1 VAL 34 2.099 4.692 6.626 229 HG21 VAL 34 3HG2 VAL 34 4.145 1.889 7.213 230 HG22 VAL 34 1HG2 VAL 34 2.629 2.520 6.571 231 HG23 VAL 34 2HG2 VAL 34 4.061 2.452 5.544 232 H HIS 35 H HIS 35 4.992 3.208 3.886 233 HA HIS 35 HA HIS 35 7.412 1.817 4.664 234 HB2 HIS 35 1HB HIS 35 5.512 1.506 2.340 235 HB3 HIS 35 2HB HIS 35 6.987 0.557 2.497 236 HD1 HIS 35 HD1 HIS 35 7.099 -1.050 4.628 237 HD2 HIS 35 HD2 HIS 35 3.373 0.580 3.778 238 HE1 HIS 35 HE1 HIS 35 5.447 -2.440 5.917 239 H MET 36 H MET 36 6.411 4.272 2.397 240 HA MET 36 HA MET 36 8.406 4.257 0.520 241 HB2 MET 36 1HB MET 36 7.230 6.702 1.854 242 HB3 MET 36 2HB MET 36 8.067 6.681 0.307 243 HG2 MET 36 1HG MET 36 5.674 4.950 0.703 244 HG3 MET 36 2HG MET 36 5.466 6.675 0.410 245 HE1 MET 36 3HE MET 36 4.968 3.650 -1.080 246 HE2 MET 36 1HE MET 36 5.730 3.568 -2.669 247 HE3 MET 36 2HE MET 36 6.672 3.215 -1.221 248 H GLY 37 H GLY 37 10.546 4.268 0.662 249 HA2 GLY 37 1HA GLY 37 11.982 6.156 2.225 250 HA3 GLY 37 2HA GLY 37 12.012 4.577 2.996 251 H GLU 38 H GLU 38 12.106 2.965 0.694 252 HA GLU 38 HA GLU 38 14.904 3.236 0.051 253 HB2 GLU 38 1HB GLU 38 12.802 1.166 -0.363 254 HB3 GLU 38 2HB GLU 38 14.196 1.144 -1.434 255 HG2 GLU 38 1HG GLU 38 15.685 0.967 0.478 256 HG3 GLU 38 2HG GLU 38 14.305 1.037 1.572 257 H LYS 39 H LYS 39 13.515 5.403 -0.943 258 HA LYS 39 HA LYS 39 13.998 5.080 -3.801 259 HB2 LYS 39 1HB LYS 39 11.422 6.187 -2.669 260 HB3 LYS 39 2HB LYS 39 11.897 6.287 -4.359 261 HG2 LYS 39 1HG LYS 39 11.520 4.064 -4.743 262 HG3 LYS 39 2HG LYS 39 11.809 3.612 -3.061 263 HD2 LYS 39 1HD LYS 39 9.485 3.346 -3.431 264 HD3 LYS 39 2HD LYS 39 9.668 4.833 -2.498 265 HE2 LYS 39 1HE LYS 39 8.226 5.574 -4.100 266 HE3 LYS 39 2HE LYS 39 9.754 5.908 -4.914 267 HZ1 LYS 39 3HZ LYS 39 9.225 4.500 -6.523 268 HZ2 LYS 39 1HZ LYS 39 7.682 4.349 -5.846 269 HZ3 LYS 39 2HZ LYS 39 8.900 3.252 -5.427 270 H CYS 40 H CYS 40 14.911 6.840 -4.724 271 HA CYS 40 HA CYS 40 15.033 9.304 -3.116 272 HB2 CYS 40 1HB CYS 40 17.346 9.555 -4.308 273 HB3 CYS 40 2HB CYS 40 17.205 8.525 -2.888 274 HG CYS 40 HG CYS 40 16.809 7.073 -5.920 275 H SER 41 H SER 41 14.620 7.823 -6.207 276 HA SER 41 HA SER 41 14.016 10.460 -7.356 277 HB2 SER 41 1HB SER 41 15.674 8.264 -8.597 278 HB3 SER 41 2HB SER 41 14.929 9.542 -9.556 279 HG SER 41 HG SER 41 16.749 9.924 -7.410 280 H GLY 42 H GLY 42 12.370 8.273 -6.209 281 HA2 GLY 42 1HA GLY 42 10.577 6.906 -6.772 282 HA3 GLY 42 2HA GLY 42 10.110 8.356 -7.648 283 HA PRO 43 HA PRO 43 12.278 5.330 -10.775 284 HB2 PRO 43 1HB PRO 43 12.394 2.741 -9.967 285 HB3 PRO 43 2HB PRO 43 13.697 3.899 -9.672 286 HG2 PRO 43 1HG PRO 43 11.534 2.969 -7.823 287 HG3 PRO 43 2HG PRO 43 13.258 3.217 -7.492 288 HD2 PRO 43 1HD PRO 43 11.365 5.022 -6.791 289 HD3 PRO 43 2HD PRO 43 13.012 5.497 -7.253 290 H SER 44 H SER 44 9.935 3.634 -8.682 291 HA SER 44 HA SER 44 8.254 3.213 -11.067 292 HB2 SER 44 1HB SER 44 8.733 1.458 -8.665 293 HB3 SER 44 2HB SER 44 7.305 1.260 -9.681 294 HG SER 44 HG SER 44 9.356 0.021 -10.172 295 H SER 45 H SER 45 5.915 3.093 -10.627 296 HA SER 45 HA SER 45 5.071 5.338 -9.093 297 HB2 SER 45 1HB SER 45 3.856 4.836 -11.094 298 HB3 SER 45 2HB SER 45 3.539 3.185 -10.561 299 HG SER 45 HG SER 45 1.795 3.944 -9.695 300 H GLY 46 H GLY 46 3.522 5.330 -7.353 301 HA2 GLY 46 1HA GLY 46 2.315 3.587 -5.860 302 HA3 GLY 46 2HA GLY 46 3.960 3.052 -5.548 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -32.229 -18.833 -13.357 2 HA2 GLY 1 1HA GLY 1 -31.346 -17.829 -10.882 3 HA3 GLY 1 2HA GLY 1 -31.570 -19.566 -10.731 4 H SER 2 H SER 2 -29.090 -18.346 -10.402 5 HA SER 2 HA SER 2 -27.566 -19.768 -12.397 6 HB2 SER 2 1HB SER 2 -26.183 -17.822 -13.040 7 HB3 SER 2 2HB SER 2 -27.865 -17.619 -13.528 8 HG SER 2 HG SER 2 -28.138 -16.349 -11.602 9 H SER 3 H SER 3 -25.256 -19.841 -11.867 10 HA SER 3 HA SER 3 -24.806 -19.435 -8.982 11 HB2 SER 3 1HB SER 3 -23.436 -21.401 -8.948 12 HB3 SER 3 2HB SER 3 -24.932 -21.831 -9.778 13 HG SER 3 HG SER 3 -23.716 -22.401 -11.380 14 H GLY 4 H GLY 4 -24.301 -17.359 -10.746 15 HA2 GLY 4 1HA GLY 4 -21.348 -17.357 -10.883 16 HA3 GLY 4 2HA GLY 4 -22.372 -16.488 -12.017 17 H SER 5 H SER 5 -20.223 -15.678 -10.024 18 HA SER 5 HA SER 5 -21.333 -13.181 -9.319 19 HB2 SER 5 1HB SER 5 -21.195 -13.455 -6.822 20 HB3 SER 5 2HB SER 5 -22.513 -14.352 -7.577 21 HG SER 5 HG SER 5 -20.191 -15.280 -6.356 22 H SER 6 H SER 6 -19.796 -12.071 -7.610 23 HA SER 6 HA SER 6 -17.187 -12.162 -8.746 24 HB2 SER 6 1HB SER 6 -16.686 -10.301 -7.382 25 HB3 SER 6 2HB SER 6 -18.404 -10.131 -7.740 26 HG SER 6 HG SER 6 -18.887 -10.549 -5.709 27 H GLY 7 H GLY 7 -15.222 -12.163 -7.199 28 HA2 GLY 7 1HA GLY 7 -15.209 -13.613 -4.812 29 HA3 GLY 7 2HA GLY 7 -14.986 -14.764 -6.121 30 H SER 8 H SER 8 -13.432 -13.302 -7.872 31 HA SER 8 HA SER 8 -10.874 -13.784 -7.098 32 HB2 SER 8 1HB SER 8 -12.035 -11.795 -9.016 33 HB3 SER 8 2HB SER 8 -10.298 -11.788 -8.707 34 HG SER 8 HG SER 8 -11.874 -13.682 -9.998 35 H GLY 9 H GLY 9 -9.079 -12.263 -6.604 36 HA2 GLY 9 1HA GLY 9 -8.077 -10.756 -5.193 37 HA3 GLY 9 2HA GLY 9 -9.477 -9.730 -5.470 38 H GLU 10 H GLU 10 -7.871 -10.294 -3.023 39 HA GLU 10 HA GLU 10 -9.288 -11.891 -1.217 40 HB2 GLU 10 1HB GLU 10 -6.971 -10.662 -1.025 41 HB3 GLU 10 2HB GLU 10 -7.936 -9.386 -0.296 42 HG2 GLU 10 1HG GLU 10 -8.814 -11.102 1.308 43 HG3 GLU 10 2HG GLU 10 -7.609 -12.214 0.662 44 H LYS 11 H LYS 11 -10.590 -11.181 0.630 45 HA LYS 11 HA LYS 11 -12.827 -9.661 -0.204 46 HB2 LYS 11 1HB LYS 11 -11.973 -10.980 2.331 47 HB3 LYS 11 2HB LYS 11 -13.274 -9.800 2.410 48 HG2 LYS 11 1HG LYS 11 -13.361 -12.040 0.429 49 HG3 LYS 11 2HG LYS 11 -13.861 -12.285 2.104 50 HD2 LYS 11 1HD LYS 11 -15.356 -10.233 1.759 51 HD3 LYS 11 2HD LYS 11 -15.049 -10.458 0.036 52 HE2 LYS 11 1HE LYS 11 -16.064 -12.679 1.787 53 HE3 LYS 11 2HE LYS 11 -17.151 -11.533 1.004 54 HZ1 LYS 11 3HZ LYS 11 -16.915 -12.563 -0.936 55 HZ2 LYS 11 1HZ LYS 11 -16.177 -13.830 -0.093 56 HZ3 LYS 11 2HZ LYS 11 -15.229 -12.626 -0.810 57 H SER 12 H SER 12 -9.834 -8.634 0.727 58 HA SER 12 HA SER 12 -10.664 -5.917 0.966 59 HB2 SER 12 1HB SER 12 -10.981 -7.073 3.316 60 HB3 SER 12 2HB SER 12 -9.234 -6.857 3.422 61 HG SER 12 HG SER 12 -11.185 -5.040 3.750 62 H HIS 13 H HIS 13 -8.930 -4.453 0.832 63 HA HIS 13 HA HIS 13 -6.619 -5.479 -0.482 64 HB2 HIS 13 1HB HIS 13 -7.038 -2.676 0.568 65 HB3 HIS 13 2HB HIS 13 -5.932 -3.180 -0.706 66 HD1 HIS 13 HD1 HIS 13 -6.897 -3.504 -3.049 67 HD2 HIS 13 HD2 HIS 13 -9.756 -2.529 -0.198 68 HE1 HIS 13 HE1 HIS 13 -8.980 -2.957 -4.347 69 H THR 14 H THR 14 -4.924 -6.358 0.481 70 HA THR 14 HA THR 14 -4.227 -5.477 3.205 71 HB THR 14 HB THR 14 -3.614 -8.114 1.856 72 HG1 THR 14 HG1 THR 14 -5.726 -8.148 2.500 73 HG21 THR 14 3HG2 THR 14 -2.135 -6.898 3.815 74 HG22 THR 14 1HG2 THR 14 -2.221 -8.637 3.540 75 HG23 THR 14 2HG2 THR 14 -3.257 -7.884 4.752 76 H CYS 15 H CYS 15 -2.312 -4.539 3.546 77 HA CYS 15 HA CYS 15 -0.629 -3.838 1.375 78 HB2 CYS 15 1HB CYS 15 -0.951 -2.479 3.457 79 HB3 CYS 15 2HB CYS 15 0.012 -3.670 4.325 80 H ASP 16 H ASP 16 0.741 -5.147 0.380 81 HA ASP 16 HA ASP 16 1.637 -7.606 1.511 82 HB2 ASP 16 1HB ASP 16 1.285 -6.903 -0.998 83 HB3 ASP 16 2HB ASP 16 2.960 -6.371 -0.874 84 H GLU 17 H GLU 17 2.696 -4.424 1.822 85 HA GLU 17 HA GLU 17 5.502 -4.883 2.041 86 HB2 GLU 17 1HB GLU 17 3.921 -2.617 3.258 87 HB3 GLU 17 2HB GLU 17 5.638 -2.634 2.880 88 HG2 GLU 17 1HG GLU 17 4.791 -3.065 0.445 89 HG3 GLU 17 2HG GLU 17 3.299 -2.359 1.061 90 H CYS 18 H CYS 18 2.862 -4.578 4.389 91 HA CYS 18 HA CYS 18 4.639 -5.780 6.409 92 HB2 CYS 18 1HB CYS 18 3.335 -4.511 8.121 93 HB3 CYS 18 2HB CYS 18 4.266 -3.484 7.036 94 H GLY 19 H GLY 19 1.363 -5.495 5.142 95 HA2 GLY 19 1HA GLY 19 0.123 -7.603 4.913 96 HA3 GLY 19 2HA GLY 19 0.715 -8.032 6.511 97 H LYS 20 H LYS 20 -0.269 -4.771 5.947 98 HA LYS 20 HA LYS 20 -2.249 -4.904 7.986 99 HB2 LYS 20 1HB LYS 20 -1.259 -2.800 6.110 100 HB3 LYS 20 2HB LYS 20 -2.782 -2.533 6.949 101 HG2 LYS 20 1HG LYS 20 -0.434 -3.384 8.555 102 HG3 LYS 20 2HG LYS 20 -0.482 -1.726 7.950 103 HD2 LYS 20 1HD LYS 20 -2.835 -1.619 8.936 104 HD3 LYS 20 2HD LYS 20 -2.418 -3.106 9.790 105 HE2 LYS 20 1HE LYS 20 -0.301 -1.746 10.504 106 HE3 LYS 20 2HE LYS 20 -1.305 -0.352 10.106 107 HZ1 LYS 20 3HZ LYS 20 -2.996 -1.736 11.601 108 HZ2 LYS 20 1HZ LYS 20 -1.924 -0.596 12.245 109 HZ3 LYS 20 2HZ LYS 20 -1.543 -2.243 12.303 110 H ASN 21 H ASN 21 -4.433 -3.623 7.347 111 HA ASN 21 HA ASN 21 -5.560 -4.877 4.943 112 HB2 ASN 21 1HB ASN 21 -6.054 -6.128 7.159 113 HB3 ASN 21 2HB ASN 21 -7.132 -4.779 7.505 114 HD21 ASN 21 1HD2 ASN 21 -6.563 -7.565 5.534 115 HD22 ASN 21 2HD2 ASN 21 -8.126 -7.623 4.800 116 H PHE 22 H PHE 22 -7.094 -3.690 3.878 117 HA PHE 22 HA PHE 22 -8.187 -1.292 5.093 118 HB2 PHE 22 1HB PHE 22 -6.598 -1.079 2.531 119 HB3 PHE 22 2HB PHE 22 -7.351 0.234 3.430 120 HD1 PHE 22 HD2 PHE 22 -4.551 -2.122 3.325 121 HD2 PHE 22 HD1 PHE 22 -6.327 1.139 5.405 122 HE1 PHE 22 HE2 PHE 22 -2.460 -1.786 4.577 123 HE2 PHE 22 HE1 PHE 22 -4.238 1.482 6.659 124 HZ PHE 22 HZ PHE 22 -2.301 0.017 6.246 125 H CYS 23 H CYS 23 -10.282 -1.543 4.694 126 HA CYS 23 HA CYS 23 -11.461 -3.146 2.790 127 HB2 CYS 23 1HB CYS 23 -12.428 -0.723 4.276 128 HB3 CYS 23 2HB CYS 23 -13.458 -1.498 3.078 129 HG CYS 23 HG CYS 23 -13.109 -2.264 6.197 130 H TYR 24 H TYR 24 -10.581 0.270 2.543 131 HA TYR 24 HA TYR 24 -11.271 0.184 -0.318 132 HB2 TYR 24 1HB TYR 24 -10.956 2.803 0.084 133 HB3 TYR 24 2HB TYR 24 -12.482 1.985 0.401 134 HD1 TYR 24 HD2 TYR 24 -12.673 0.989 2.867 135 HD2 TYR 24 HD1 TYR 24 -10.124 4.198 1.721 136 HE1 TYR 24 HE2 TYR 24 -12.608 1.763 5.200 137 HE2 TYR 24 HE1 TYR 24 -10.052 4.980 4.052 138 HH TYR 24 HH TYR 24 -12.098 3.597 6.518 139 H ILE 25 H ILE 25 -9.653 0.132 -1.719 140 HA ILE 25 HA ILE 25 -6.997 -0.085 -1.165 141 HB ILE 25 HB ILE 25 -8.064 -0.450 -3.401 142 HG12 ILE 25 1HG1 ILE 25 -6.052 0.395 -4.698 143 HG13 ILE 25 2HG1 ILE 25 -5.520 1.166 -3.207 144 HG21 ILE 25 1HG2 ILE 25 -9.238 1.727 -3.489 145 HG22 ILE 25 2HG2 ILE 25 -7.683 2.522 -3.728 146 HG23 ILE 25 3HG2 ILE 25 -8.291 1.392 -4.938 147 HD11 ILE 25 3HD1 ILE 25 -6.108 -1.768 -3.340 148 HD12 ILE 25 1HD1 ILE 25 -4.536 -1.107 -3.787 149 HD13 ILE 25 2HD1 ILE 25 -5.154 -0.883 -2.150 150 H SER 26 H SER 26 -8.741 2.922 -1.881 151 HA SER 26 HA SER 26 -6.746 4.755 -2.021 152 HB2 SER 26 1HB SER 26 -9.294 5.109 -0.424 153 HB3 SER 26 2HB SER 26 -8.294 6.403 -1.085 154 HG SER 26 HG SER 26 -9.012 5.978 -3.058 155 H ALA 27 H ALA 27 -8.110 3.416 0.970 156 HA ALA 27 HA ALA 27 -6.557 4.918 2.765 157 HB1 ALA 27 3HB ALA 27 -7.856 3.879 4.232 158 HB2 ALA 27 1HB ALA 27 -8.495 2.878 2.928 159 HB3 ALA 27 2HB ALA 27 -7.095 2.333 3.853 160 H LEU 28 H LEU 28 -6.039 1.668 1.412 161 HA LEU 28 HA LEU 28 -3.705 1.006 2.743 162 HB2 LEU 28 1HB LEU 28 -4.540 -0.741 1.531 163 HB3 LEU 28 2HB LEU 28 -4.907 0.264 0.131 164 HG LEU 28 HG LEU 28 -2.450 0.326 -0.359 165 HD11 LEU 28 1HD1 LEU 28 -1.928 -2.085 1.201 166 HD12 LEU 28 2HD1 LEU 28 -2.173 -0.642 2.184 167 HD13 LEU 28 3HD1 LEU 28 -0.924 -0.659 0.940 168 HD21 LEU 28 3HD2 LEU 28 -3.191 -1.187 -1.817 169 HD22 LEU 28 1HD2 LEU 28 -4.302 -1.890 -0.641 170 HD23 LEU 28 2HD2 LEU 28 -2.619 -2.415 -0.687 171 H ARG 29 H ARG 29 -4.082 2.787 -0.306 172 HA ARG 29 HA ARG 29 -1.386 3.105 -0.928 173 HB2 ARG 29 1HB ARG 29 -3.567 5.131 -1.447 174 HB3 ARG 29 2HB ARG 29 -2.067 4.936 -2.344 175 HG2 ARG 29 1HG ARG 29 -4.224 2.844 -2.193 176 HG3 ARG 29 2HG ARG 29 -4.074 4.030 -3.491 177 HD2 ARG 29 1HD ARG 29 -2.103 1.880 -2.735 178 HD3 ARG 29 2HD ARG 29 -3.058 1.984 -4.214 179 HE ARG 29 HE ARG 29 -0.575 3.274 -3.690 180 HH11 ARG 29 1HH1 ARG 29 -3.602 3.625 -5.373 181 HH12 ARG 29 2HH1 ARG 29 -2.955 4.679 -6.587 182 HH21 ARG 29 1HH2 ARG 29 0.289 4.661 -5.282 183 HH22 ARG 29 2HH2 ARG 29 -0.741 5.266 -6.535 184 H ILE 30 H ILE 30 -3.502 5.101 1.094 185 HA ILE 30 HA ILE 30 -1.665 7.164 1.611 186 HB ILE 30 HB ILE 30 -3.916 6.171 3.363 187 HG12 ILE 30 1HG1 ILE 30 -3.976 8.578 1.559 188 HG13 ILE 30 2HG1 ILE 30 -4.384 6.978 0.948 189 HG21 ILE 30 1HG2 ILE 30 -3.819 8.586 4.186 190 HG22 ILE 30 2HG2 ILE 30 -2.561 7.486 4.748 191 HG23 ILE 30 3HG2 ILE 30 -2.213 8.640 3.461 192 HD11 ILE 30 3HD1 ILE 30 -6.014 8.820 2.363 193 HD12 ILE 30 1HD1 ILE 30 -6.445 7.251 1.684 194 HD13 ILE 30 2HD1 ILE 30 -5.836 7.361 3.336 195 H HIS 31 H HIS 31 -2.230 4.067 3.191 196 HA HIS 31 HA HIS 31 -0.494 4.563 5.398 197 HB2 HIS 31 1HB HIS 31 -1.994 2.885 5.899 198 HB3 HIS 31 2HB HIS 31 -1.911 2.183 4.286 199 HD1 HIS 31 HD1 HIS 31 -0.003 2.291 7.538 200 HD2 HIS 31 HD2 HIS 31 -0.102 0.128 3.992 201 HE1 HIS 31 HE1 HIS 31 1.522 0.326 7.906 202 H GLN 32 H GLN 32 -0.131 2.900 2.294 203 HA GLN 32 HA GLN 32 2.326 1.735 2.560 204 HB2 GLN 32 1HB GLN 32 1.053 3.122 0.215 205 HB3 GLN 32 2HB GLN 32 2.633 2.362 0.079 206 HG2 GLN 32 1HG GLN 32 1.465 0.271 1.021 207 HG3 GLN 32 2HG GLN 32 -0.028 1.095 0.575 208 HE21 GLN 32 1HE2 GLN 32 0.228 2.130 -1.741 209 HE22 GLN 32 2HE2 GLN 32 0.771 1.020 -2.948 210 H ARG 33 H ARG 33 1.593 5.128 2.335 211 HA ARG 33 HA ARG 33 3.986 6.228 1.541 212 HB2 ARG 33 1HB ARG 33 2.133 7.243 3.704 213 HB3 ARG 33 2HB ARG 33 3.371 8.198 2.900 214 HG2 ARG 33 1HG ARG 33 2.225 8.074 0.817 215 HG3 ARG 33 2HG ARG 33 1.084 6.887 1.453 216 HD2 ARG 33 1HD ARG 33 0.360 8.632 3.113 217 HD3 ARG 33 2HD ARG 33 1.341 9.789 2.214 218 HE ARG 33 HE ARG 33 -0.521 8.384 0.554 219 HH11 ARG 33 1HH1 ARG 33 -0.140 11.062 2.746 220 HH12 ARG 33 2HH1 ARG 33 -1.458 11.966 2.077 221 HH21 ARG 33 1HH2 ARG 33 -2.258 9.565 -0.335 222 HH22 ARG 33 2HH2 ARG 33 -2.663 11.113 0.325 223 H VAL 34 H VAL 34 3.102 4.954 4.706 224 HA VAL 34 HA VAL 34 5.309 5.856 6.169 225 HB VAL 34 HB VAL 34 4.789 4.197 7.799 226 HG11 VAL 34 1HG1 VAL 34 2.576 4.730 8.274 227 HG12 VAL 34 2HG1 VAL 34 3.087 6.049 7.219 228 HG13 VAL 34 3HG1 VAL 34 2.108 4.731 6.574 229 HG21 VAL 34 3HG2 VAL 34 3.664 2.728 5.472 230 HG22 VAL 34 1HG2 VAL 34 4.649 2.141 6.812 231 HG23 VAL 34 2HG2 VAL 34 2.933 2.467 7.055 232 H HIS 35 H HIS 35 4.941 3.146 3.984 233 HA HIS 35 HA HIS 35 7.391 1.862 4.715 234 HB2 HIS 35 1HB HIS 35 5.512 1.558 2.377 235 HB3 HIS 35 2HB HIS 35 7.005 0.632 2.506 236 HD1 HIS 35 HD1 HIS 35 7.167 -0.955 4.677 237 HD2 HIS 35 HD2 HIS 35 3.395 0.513 3.743 238 HE1 HIS 35 HE1 HIS 35 5.548 -2.411 5.936 239 H MET 36 H MET 36 6.450 4.328 2.434 240 HA MET 36 HA MET 36 8.457 4.319 0.584 241 HB2 MET 36 1HB MET 36 7.218 6.701 1.969 242 HB3 MET 36 2HB MET 36 8.220 6.813 0.529 243 HG2 MET 36 1HG MET 36 5.636 5.284 0.718 244 HG3 MET 36 2HG MET 36 5.812 6.903 0.045 245 HE1 MET 36 3HE MET 36 4.515 4.509 -1.922 246 HE2 MET 36 1HE MET 36 4.648 6.268 -1.971 247 HE3 MET 36 2HE MET 36 5.286 5.298 -3.299 248 H GLY 37 H GLY 37 10.595 4.739 0.518 249 HA2 GLY 37 1HA GLY 37 12.282 4.510 2.619 250 HA3 GLY 37 2HA GLY 37 12.685 5.461 1.198 251 H GLU 38 H GLU 38 12.263 5.531 4.513 252 HA GLU 38 HA GLU 38 12.199 8.474 4.483 253 HB2 GLU 38 1HB GLU 38 10.691 6.565 6.242 254 HB3 GLU 38 2HB GLU 38 11.099 8.174 6.820 255 HG2 GLU 38 1HG GLU 38 9.635 7.716 4.243 256 HG3 GLU 38 2HG GLU 38 8.809 7.870 5.792 257 H LYS 39 H LYS 39 14.474 8.500 4.573 258 HA LYS 39 HA LYS 39 15.873 7.168 6.707 259 HB2 LYS 39 1HB LYS 39 16.845 9.297 4.791 260 HB3 LYS 39 2HB LYS 39 17.858 8.303 5.830 261 HG2 LYS 39 1HG LYS 39 16.667 6.338 4.550 262 HG3 LYS 39 2HG LYS 39 16.425 7.589 3.328 263 HD2 LYS 39 1HD LYS 39 18.987 8.032 3.767 264 HD3 LYS 39 2HD LYS 39 18.950 6.357 4.322 265 HE2 LYS 39 1HE LYS 39 18.480 5.534 2.238 266 HE3 LYS 39 2HE LYS 39 17.660 7.007 1.722 267 HZ1 LYS 39 3HZ LYS 39 20.048 7.994 1.918 268 HZ2 LYS 39 1HZ LYS 39 19.593 7.131 0.536 269 HZ3 LYS 39 2HZ LYS 39 20.527 6.383 1.730 270 H CYS 40 H CYS 40 15.440 10.607 5.851 271 HA CYS 40 HA CYS 40 16.519 11.780 8.072 272 HB2 CYS 40 1HB CYS 40 15.639 13.003 6.100 273 HB3 CYS 40 2HB CYS 40 14.002 12.695 6.666 274 HG CYS 40 HG CYS 40 14.592 14.092 9.159 275 H SER 41 H SER 41 13.162 10.668 7.702 276 HA SER 41 HA SER 41 11.947 11.436 9.960 277 HB2 SER 41 1HB SER 41 10.624 9.416 9.916 278 HB3 SER 41 2HB SER 41 10.999 9.865 8.252 279 HG SER 41 HG SER 41 12.113 7.796 9.818 280 H GLY 42 H GLY 42 14.241 8.726 9.783 281 HA2 GLY 42 1HA GLY 42 14.436 8.840 12.731 282 HA3 GLY 42 2HA GLY 42 14.614 7.357 11.806 283 HA PRO 43 HA PRO 43 18.821 9.183 12.681 284 HB2 PRO 43 1HB PRO 43 19.858 6.931 13.786 285 HB3 PRO 43 2HB PRO 43 18.988 8.148 14.726 286 HG2 PRO 43 1HG PRO 43 18.005 5.540 13.633 287 HG3 PRO 43 2HG PRO 43 17.717 6.266 15.225 288 HD2 PRO 43 1HD PRO 43 15.893 6.366 13.226 289 HD3 PRO 43 2HD PRO 43 16.064 7.661 14.429 290 H SER 44 H SER 44 17.403 6.946 10.697 291 HA SER 44 HA SER 44 19.195 5.252 9.642 292 HB2 SER 44 1HB SER 44 17.069 5.392 8.596 293 HB3 SER 44 2HB SER 44 17.296 7.093 8.189 294 HG SER 44 HG SER 44 18.685 6.539 6.598 295 H SER 45 H SER 45 20.902 5.271 8.178 296 HA SER 45 HA SER 45 22.095 7.905 7.620 297 HB2 SER 45 1HB SER 45 23.515 5.417 8.596 298 HB3 SER 45 2HB SER 45 24.338 6.856 7.994 299 HG SER 45 HG SER 45 24.152 6.882 10.269 300 H GLY 46 H GLY 46 22.371 4.439 6.809 301 HA2 GLY 46 1HA GLY 46 22.905 5.248 4.019 302 HA3 GLY 46 2HA GLY 46 23.497 3.764 4.751 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -16.981 -28.400 14.262 2 HA2 GLY 1 1HA GLY 1 -17.566 -29.698 11.702 3 HA3 GLY 1 2HA GLY 1 -18.751 -29.106 12.857 4 H SER 2 H SER 2 -17.826 -26.512 13.242 5 HA SER 2 HA SER 2 -18.530 -25.338 10.653 6 HB2 SER 2 1HB SER 2 -19.079 -23.316 11.928 7 HB3 SER 2 2HB SER 2 -19.914 -24.718 12.598 8 HG SER 2 HG SER 2 -17.841 -24.749 13.985 9 H SER 3 H SER 3 -17.495 -23.195 10.149 10 HA SER 3 HA SER 3 -14.619 -23.518 10.293 11 HB2 SER 3 1HB SER 3 -16.012 -22.815 8.217 12 HB3 SER 3 2HB SER 3 -16.015 -21.213 8.956 13 HG SER 3 HG SER 3 -13.743 -21.263 8.921 14 H GLY 4 H GLY 4 -17.040 -21.107 11.259 15 HA2 GLY 4 1HA GLY 4 -16.564 -20.182 13.555 16 HA3 GLY 4 2HA GLY 4 -14.962 -19.827 12.925 17 H SER 5 H SER 5 -15.439 -17.620 13.581 18 HA SER 5 HA SER 5 -17.442 -15.971 12.857 19 HB2 SER 5 1HB SER 5 -15.146 -15.459 14.002 20 HB3 SER 5 2HB SER 5 -14.638 -15.013 12.373 21 HG SER 5 HG SER 5 -16.823 -13.773 12.550 22 H SER 6 H SER 6 -14.653 -16.704 10.764 23 HA SER 6 HA SER 6 -15.103 -15.254 8.558 24 HB2 SER 6 1HB SER 6 -14.411 -18.195 8.670 25 HB3 SER 6 2HB SER 6 -14.315 -17.230 7.197 26 HG SER 6 HG SER 6 -12.798 -15.899 8.247 27 H GLY 7 H GLY 7 -16.702 -14.899 7.164 28 HA2 GLY 7 1HA GLY 7 -18.958 -16.799 7.147 29 HA3 GLY 7 2HA GLY 7 -19.087 -15.083 6.790 30 H SER 8 H SER 8 -18.616 -14.331 4.745 31 HA SER 8 HA SER 8 -18.348 -16.427 2.701 32 HB2 SER 8 1HB SER 8 -20.387 -15.139 2.475 33 HB3 SER 8 2HB SER 8 -19.482 -13.626 2.524 34 HG SER 8 HG SER 8 -18.758 -15.475 0.574 35 H GLY 9 H GLY 9 -17.213 -13.166 3.540 36 HA2 GLY 9 1HA GLY 9 -14.869 -12.630 3.394 37 HA3 GLY 9 2HA GLY 9 -14.740 -13.757 2.052 38 H GLU 10 H GLU 10 -13.618 -11.442 1.570 39 HA GLU 10 HA GLU 10 -15.007 -10.420 -0.653 40 HB2 GLU 10 1HB GLU 10 -16.372 -9.346 1.117 41 HB3 GLU 10 2HB GLU 10 -14.924 -8.556 1.725 42 HG2 GLU 10 1HG GLU 10 -15.915 -6.912 0.445 43 HG3 GLU 10 2HG GLU 10 -14.711 -7.591 -0.650 44 H LYS 11 H LYS 11 -13.765 -8.936 -1.866 45 HA LYS 11 HA LYS 11 -11.025 -9.268 -1.794 46 HB2 LYS 11 1HB LYS 11 -12.070 -8.482 -3.797 47 HB3 LYS 11 2HB LYS 11 -12.692 -7.051 -2.984 48 HG2 LYS 11 1HG LYS 11 -10.929 -6.113 -4.050 49 HG3 LYS 11 2HG LYS 11 -10.107 -6.625 -2.574 50 HD2 LYS 11 1HD LYS 11 -10.258 -8.560 -4.824 51 HD3 LYS 11 2HD LYS 11 -9.154 -7.192 -4.985 52 HE2 LYS 11 1HE LYS 11 -7.751 -8.662 -3.961 53 HE3 LYS 11 2HE LYS 11 -8.481 -7.938 -2.529 54 HZ1 LYS 11 3HZ LYS 11 -10.122 -10.039 -3.329 55 HZ2 LYS 11 1HZ LYS 11 -9.164 -9.942 -1.938 56 HZ3 LYS 11 2HZ LYS 11 -8.535 -10.625 -3.352 57 H SER 12 H SER 12 -9.459 -8.513 -0.536 58 HA SER 12 HA SER 12 -9.863 -5.958 0.860 59 HB2 SER 12 1HB SER 12 -8.706 -6.977 2.854 60 HB3 SER 12 2HB SER 12 -10.312 -7.628 2.528 61 HG SER 12 HG SER 12 -8.860 -9.310 2.925 62 H HIS 13 H HIS 13 -8.240 -4.586 0.564 63 HA HIS 13 HA HIS 13 -5.869 -5.437 -0.837 64 HB2 HIS 13 1HB HIS 13 -6.364 -2.686 0.288 65 HB3 HIS 13 2HB HIS 13 -5.365 -3.136 -1.090 66 HD1 HIS 13 HD1 HIS 13 -6.464 -3.155 -3.347 67 HD2 HIS 13 HD2 HIS 13 -9.201 -2.838 -0.237 68 HE1 HIS 13 HE1 HIS 13 -8.677 -2.683 -4.445 69 H THR 14 H THR 14 -4.401 -6.514 0.335 70 HA THR 14 HA THR 14 -3.756 -5.567 3.035 71 HB THR 14 HB THR 14 -3.040 -8.151 1.639 72 HG1 THR 14 HG1 THR 14 -4.414 -8.953 3.418 73 HG21 THR 14 3HG2 THR 14 -1.598 -6.914 3.644 74 HG22 THR 14 1HG2 THR 14 -1.569 -8.634 3.256 75 HG23 THR 14 2HG2 THR 14 -2.642 -8.034 4.521 76 H CYS 15 H CYS 15 -1.824 -4.701 3.547 77 HA CYS 15 HA CYS 15 -0.100 -3.830 1.448 78 HB2 CYS 15 1HB CYS 15 -0.520 -2.497 3.493 79 HB3 CYS 15 2HB CYS 15 0.326 -3.715 4.441 80 H ASP 16 H ASP 16 1.641 -4.787 0.627 81 HA ASP 16 HA ASP 16 2.492 -7.341 1.699 82 HB2 ASP 16 1HB ASP 16 2.199 -7.043 -0.732 83 HB3 ASP 16 2HB ASP 16 3.470 -5.823 -0.729 84 H GLU 17 H GLU 17 3.356 -4.120 2.110 85 HA GLU 17 HA GLU 17 6.178 -4.433 2.422 86 HB2 GLU 17 1HB GLU 17 4.419 -2.265 3.576 87 HB3 GLU 17 2HB GLU 17 6.155 -2.188 3.308 88 HG2 GLU 17 1HG GLU 17 4.244 -2.612 1.043 89 HG3 GLU 17 2HG GLU 17 4.620 -1.000 1.647 90 H CYS 18 H CYS 18 3.427 -4.333 4.652 91 HA CYS 18 HA CYS 18 5.195 -5.421 6.744 92 HB2 CYS 18 1HB CYS 18 3.787 -4.267 8.413 93 HB3 CYS 18 2HB CYS 18 4.570 -3.136 7.314 94 H GLY 19 H GLY 19 1.879 -5.277 5.493 95 HA2 GLY 19 1HA GLY 19 0.860 -7.524 5.128 96 HA3 GLY 19 2HA GLY 19 1.400 -7.907 6.757 97 H LYS 20 H LYS 20 0.147 -4.752 6.023 98 HA LYS 20 HA LYS 20 -1.920 -5.044 7.984 99 HB2 LYS 20 1HB LYS 20 -0.918 -2.851 6.233 100 HB3 LYS 20 2HB LYS 20 -2.542 -2.698 6.891 101 HG2 LYS 20 1HG LYS 20 -0.252 -3.350 8.695 102 HG3 LYS 20 2HG LYS 20 -0.533 -1.687 8.174 103 HD2 LYS 20 1HD LYS 20 -2.619 -1.587 9.226 104 HD3 LYS 20 2HD LYS 20 -2.742 -3.343 9.350 105 HE2 LYS 20 1HE LYS 20 -1.260 -3.446 11.134 106 HE3 LYS 20 2HE LYS 20 -0.548 -1.878 10.761 107 HZ1 LYS 20 3HZ LYS 20 -2.176 -2.116 12.742 108 HZ2 LYS 20 1HZ LYS 20 -3.375 -2.032 11.551 109 HZ3 LYS 20 2HZ LYS 20 -2.279 -0.758 11.739 110 H ASN 21 H ASN 21 -4.147 -3.933 7.232 111 HA ASN 21 HA ASN 21 -5.016 -5.165 4.716 112 HB2 ASN 21 1HB ASN 21 -5.505 -6.585 6.835 113 HB3 ASN 21 2HB ASN 21 -6.737 -5.373 7.171 114 HD21 ASN 21 1HD2 ASN 21 -5.580 -7.420 4.518 115 HD22 ASN 21 2HD2 ASN 21 -7.149 -7.810 3.908 116 H PHE 22 H PHE 22 -6.591 -4.062 3.623 117 HA PHE 22 HA PHE 22 -7.938 -1.826 4.911 118 HB2 PHE 22 1HB PHE 22 -6.337 -1.406 2.382 119 HB3 PHE 22 2HB PHE 22 -7.219 -0.188 3.297 120 HD1 PHE 22 HD2 PHE 22 -4.238 -2.325 3.233 121 HD2 PHE 22 HD1 PHE 22 -6.295 0.794 5.271 122 HE1 PHE 22 HE2 PHE 22 -2.206 -1.838 4.532 123 HE2 PHE 22 HE1 PHE 22 -4.266 1.286 6.573 124 HZ PHE 22 HZ PHE 22 -2.219 -0.031 6.205 125 H CYS 23 H CYS 23 -9.999 -2.247 4.480 126 HA CYS 23 HA CYS 23 -11.010 -3.881 2.501 127 HB2 CYS 23 1HB CYS 23 -12.291 -3.071 4.465 128 HB3 CYS 23 2HB CYS 23 -12.395 -1.481 3.717 129 HG CYS 23 HG CYS 23 -14.875 -2.592 3.377 130 H TYR 24 H TYR 24 -10.468 -0.386 2.405 131 HA TYR 24 HA TYR 24 -11.090 -0.430 -0.473 132 HB2 TYR 24 1HB TYR 24 -11.094 2.189 0.037 133 HB3 TYR 24 2HB TYR 24 -12.522 1.187 0.276 134 HD1 TYR 24 HD2 TYR 24 -12.805 0.166 2.663 135 HD2 TYR 24 HD1 TYR 24 -10.324 3.509 1.783 136 HE1 TYR 24 HE2 TYR 24 -12.892 0.845 5.025 137 HE2 TYR 24 HE1 TYR 24 -10.403 4.196 4.144 138 HH TYR 24 HH TYR 24 -12.559 2.726 6.414 139 H ILE 25 H ILE 25 -9.477 -0.141 -1.860 140 HA ILE 25 HA ILE 25 -6.819 -0.122 -1.262 141 HB ILE 25 HB ILE 25 -7.708 -0.466 -3.534 142 HG12 ILE 25 1HG1 ILE 25 -5.917 0.844 -4.740 143 HG13 ILE 25 2HG1 ILE 25 -5.577 1.653 -3.215 144 HG21 ILE 25 1HG2 ILE 25 -9.257 1.562 -3.341 145 HG22 ILE 25 2HG2 ILE 25 -7.858 2.514 -3.836 146 HG23 ILE 25 3HG2 ILE 25 -8.493 1.260 -4.902 147 HD11 ILE 25 3HD1 ILE 25 -4.125 0.029 -2.820 148 HD12 ILE 25 1HD1 ILE 25 -5.509 -1.036 -2.578 149 HD13 ILE 25 2HD1 ILE 25 -4.736 -0.940 -4.160 150 H SER 26 H SER 26 -8.826 2.746 -1.891 151 HA SER 26 HA SER 26 -7.062 4.779 -1.819 152 HB2 SER 26 1HB SER 26 -9.812 4.496 -0.690 153 HB3 SER 26 2HB SER 26 -8.900 5.956 -0.307 154 HG SER 26 HG SER 26 -8.937 5.142 -2.968 155 H ALA 27 H ALA 27 -8.262 3.047 1.032 156 HA ALA 27 HA ALA 27 -6.863 4.588 2.944 157 HB1 ALA 27 3HB ALA 27 -8.648 2.401 2.966 158 HB2 ALA 27 1HB ALA 27 -7.220 1.919 3.883 159 HB3 ALA 27 2HB ALA 27 -8.103 3.379 4.329 160 H LEU 28 H LEU 28 -6.158 1.334 1.654 161 HA LEU 28 HA LEU 28 -3.760 0.859 2.898 162 HB2 LEU 28 1HB LEU 28 -4.527 -0.928 1.680 163 HB3 LEU 28 2HB LEU 28 -4.903 0.059 0.269 164 HG LEU 28 HG LEU 28 -2.459 0.220 -0.188 165 HD11 LEU 28 1HD1 LEU 28 -1.603 -2.066 1.257 166 HD12 LEU 28 2HD1 LEU 28 -2.291 -0.917 2.404 167 HD13 LEU 28 3HD1 LEU 28 -0.982 -0.417 1.333 168 HD21 LEU 28 3HD2 LEU 28 -3.734 -1.359 -1.437 169 HD22 LEU 28 1HD2 LEU 28 -3.745 -2.502 -0.094 170 HD23 LEU 28 2HD2 LEU 28 -2.239 -2.156 -0.945 171 H ARG 29 H ARG 29 -4.239 2.525 -0.211 172 HA ARG 29 HA ARG 29 -1.610 3.046 -0.858 173 HB2 ARG 29 1HB ARG 29 -3.928 4.940 -1.279 174 HB3 ARG 29 2HB ARG 29 -2.428 4.897 -2.197 175 HG2 ARG 29 1HG ARG 29 -4.120 2.451 -2.102 176 HG3 ARG 29 2HG ARG 29 -4.617 3.800 -3.125 177 HD2 ARG 29 1HD ARG 29 -3.321 2.662 -4.616 178 HD3 ARG 29 2HD ARG 29 -2.085 3.684 -3.882 179 HE ARG 29 HE ARG 29 -1.956 1.512 -2.339 180 HH11 ARG 29 1HH1 ARG 29 -2.077 1.853 -5.801 181 HH12 ARG 29 2HH1 ARG 29 -1.160 0.415 -6.105 182 HH21 ARG 29 1HH2 ARG 29 -0.748 -0.383 -2.726 183 HH22 ARG 29 2HH2 ARG 29 -0.405 -0.857 -4.356 184 H ILE 30 H ILE 30 -3.708 4.741 1.403 185 HA ILE 30 HA ILE 30 -2.014 6.957 1.862 186 HB ILE 30 HB ILE 30 -4.117 5.728 3.646 187 HG12 ILE 30 1HG1 ILE 30 -4.346 8.271 2.056 188 HG13 ILE 30 2HG1 ILE 30 -4.713 6.711 1.329 189 HG21 ILE 30 1HG2 ILE 30 -2.838 8.450 3.854 190 HG22 ILE 30 2HG2 ILE 30 -4.078 7.780 4.912 191 HG23 ILE 30 3HG2 ILE 30 -2.461 7.076 4.894 192 HD11 ILE 30 3HD1 ILE 30 -6.273 8.333 3.161 193 HD12 ILE 30 1HD1 ILE 30 -6.780 7.042 2.071 194 HD13 ILE 30 2HD1 ILE 30 -6.143 6.649 3.669 195 H HIS 31 H HIS 31 -2.471 3.918 3.655 196 HA HIS 31 HA HIS 31 -0.614 4.410 5.684 197 HB2 HIS 31 1HB HIS 31 -1.948 2.585 6.146 198 HB3 HIS 31 2HB HIS 31 -1.836 1.953 4.506 199 HD1 HIS 31 HD1 HIS 31 0.169 2.158 7.700 200 HD2 HIS 31 HD2 HIS 31 0.106 0.053 4.118 201 HE1 HIS 31 HE1 HIS 31 1.869 0.324 7.968 202 H GLN 32 H GLN 32 -0.202 2.946 2.491 203 HA GLN 32 HA GLN 32 2.376 2.012 2.664 204 HB2 GLN 32 1HB GLN 32 0.946 3.333 0.361 205 HB3 GLN 32 2HB GLN 32 2.535 2.599 0.198 206 HG2 GLN 32 1HG GLN 32 1.440 0.488 1.153 207 HG3 GLN 32 2HG GLN 32 -0.089 1.284 0.780 208 HE21 GLN 32 1HE2 GLN 32 0.009 2.319 -1.534 209 HE22 GLN 32 2HE2 GLN 32 0.534 1.235 -2.773 210 H ARG 33 H ARG 33 1.274 5.296 2.605 211 HA ARG 33 HA ARG 33 3.482 6.679 1.702 212 HB2 ARG 33 1HB ARG 33 1.571 7.376 3.936 213 HB3 ARG 33 2HB ARG 33 2.744 8.503 3.266 214 HG2 ARG 33 1HG ARG 33 1.680 8.371 1.096 215 HG3 ARG 33 2HG ARG 33 0.544 7.165 1.705 216 HD2 ARG 33 1HD ARG 33 -0.723 9.067 1.887 217 HD3 ARG 33 2HD ARG 33 0.020 9.019 3.485 218 HE ARG 33 HE ARG 33 1.757 10.532 2.138 219 HH11 ARG 33 1HH1 ARG 33 -1.718 10.634 2.314 220 HH12 ARG 33 2HH1 ARG 33 -1.811 12.346 2.064 221 HH21 ARG 33 1HH2 ARG 33 1.648 12.787 1.809 222 HH22 ARG 33 2HH2 ARG 33 0.104 13.569 1.776 223 H VAL 34 H VAL 34 3.196 4.738 4.501 224 HA VAL 34 HA VAL 34 5.330 5.993 5.979 225 HB VAL 34 HB VAL 34 5.091 4.199 7.568 226 HG11 VAL 34 1HG1 VAL 34 3.233 6.043 7.135 227 HG12 VAL 34 2HG1 VAL 34 2.249 4.612 6.819 228 HG13 VAL 34 3HG1 VAL 34 3.051 4.806 8.378 229 HG21 VAL 34 3HG2 VAL 34 3.090 2.538 6.827 230 HG22 VAL 34 1HG2 VAL 34 3.874 2.819 5.272 231 HG23 VAL 34 2HG2 VAL 34 4.803 2.172 6.624 232 H HIS 35 H HIS 35 4.965 3.307 3.761 233 HA HIS 35 HA HIS 35 7.676 2.375 4.211 234 HB2 HIS 35 1HB HIS 35 5.637 1.478 2.164 235 HB3 HIS 35 2HB HIS 35 7.148 0.660 2.550 236 HD1 HIS 35 HD1 HIS 35 7.289 -0.317 5.064 237 HD2 HIS 35 HD2 HIS 35 3.509 0.719 3.686 238 HE1 HIS 35 HE1 HIS 35 5.672 -1.471 6.606 239 H MET 36 H MET 36 6.697 5.039 2.859 240 HA MET 36 HA MET 36 8.219 4.812 0.366 241 HB2 MET 36 1HB MET 36 7.057 6.631 -0.436 242 HB3 MET 36 2HB MET 36 5.857 5.928 0.641 243 HG2 MET 36 1HG MET 36 6.827 7.535 2.406 244 HG3 MET 36 2HG MET 36 7.529 8.375 1.025 245 HE1 MET 36 3HE MET 36 4.642 9.521 -1.054 246 HE2 MET 36 1HE MET 36 6.102 8.532 -1.115 247 HE3 MET 36 2HE MET 36 4.516 7.762 -1.071 248 H GLY 37 H GLY 37 8.170 6.509 3.451 249 HA2 GLY 37 1HA GLY 37 10.196 8.379 2.949 250 HA3 GLY 37 2HA GLY 37 9.769 7.748 4.532 251 H GLU 38 H GLU 38 12.213 8.161 4.652 252 HA GLU 38 HA GLU 38 13.839 6.085 3.444 253 HB2 GLU 38 1HB GLU 38 14.552 8.306 5.367 254 HB3 GLU 38 2HB GLU 38 15.709 7.207 4.630 255 HG2 GLU 38 1HG GLU 38 14.792 8.045 2.393 256 HG3 GLU 38 2HG GLU 38 14.072 9.351 3.332 257 H LYS 39 H LYS 39 13.414 7.216 6.803 258 HA LYS 39 HA LYS 39 14.482 4.888 7.975 259 HB2 LYS 39 1HB LYS 39 12.751 7.116 9.019 260 HB3 LYS 39 2HB LYS 39 13.207 5.760 10.041 261 HG2 LYS 39 1HG LYS 39 15.340 7.235 8.582 262 HG3 LYS 39 2HG LYS 39 14.614 7.968 10.014 263 HD2 LYS 39 1HD LYS 39 15.699 5.162 10.003 264 HD3 LYS 39 2HD LYS 39 16.698 6.565 10.386 265 HE2 LYS 39 1HE LYS 39 14.130 5.895 11.811 266 HE3 LYS 39 2HE LYS 39 15.721 5.379 12.369 267 HZ1 LYS 39 3HZ LYS 39 16.350 7.549 12.827 268 HZ2 LYS 39 1HZ LYS 39 14.735 7.515 13.331 269 HZ3 LYS 39 2HZ LYS 39 15.145 8.227 11.853 270 H CYS 40 H CYS 40 13.518 3.058 7.110 271 HA CYS 40 HA CYS 40 10.693 2.651 7.842 272 HB2 CYS 40 1HB CYS 40 12.275 1.637 5.486 273 HB3 CYS 40 2HB CYS 40 10.770 0.877 5.990 274 HG CYS 40 HG CYS 40 10.838 4.215 5.334 275 H SER 41 H SER 41 12.746 2.217 9.685 276 HA SER 41 HA SER 41 12.397 -0.636 10.156 277 HB2 SER 41 1HB SER 41 15.052 0.704 9.751 278 HB3 SER 41 2HB SER 41 14.920 -0.666 10.853 279 HG SER 41 HG SER 41 15.292 -1.650 8.982 280 H GLY 42 H GLY 42 11.607 -0.805 12.140 281 HA2 GLY 42 1HA GLY 42 11.707 1.321 14.028 282 HA3 GLY 42 2HA GLY 42 11.088 -0.298 14.323 283 HA PRO 43 HA PRO 43 14.853 0.182 16.931 284 HB2 PRO 43 1HB PRO 43 13.805 -1.128 19.065 285 HB3 PRO 43 2HB PRO 43 13.551 0.597 18.778 286 HG2 PRO 43 1HG PRO 43 11.739 -1.709 18.181 287 HG3 PRO 43 2HG PRO 43 11.344 -0.127 18.876 288 HD2 PRO 43 1HD PRO 43 10.911 -0.722 16.271 289 HD3 PRO 43 2HD PRO 43 11.329 0.913 16.820 290 H SER 44 H SER 44 13.253 -2.288 15.372 291 HA SER 44 HA SER 44 15.307 -4.240 16.182 292 HB2 SER 44 1HB SER 44 12.948 -4.766 16.981 293 HB3 SER 44 2HB SER 44 12.521 -4.988 15.285 294 HG SER 44 HG SER 44 14.008 -6.660 15.160 295 H SER 45 H SER 45 16.447 -5.164 14.584 296 HA SER 45 HA SER 45 15.843 -4.332 11.847 297 HB2 SER 45 1HB SER 45 18.309 -5.277 13.259 298 HB3 SER 45 2HB SER 45 18.202 -5.452 11.508 299 HG SER 45 HG SER 45 18.920 -3.321 12.794 300 H GLY 46 H GLY 46 14.780 -5.668 10.553 301 HA2 GLY 46 1HA GLY 46 15.365 -8.538 10.677 302 HA3 GLY 46 2HA GLY 46 13.694 -8.030 10.872 Start of MODEL 4 1 H1 GLY 1 H GLY 1 4.716 -19.396 -4.287 2 HA2 GLY 1 1HA GLY 1 4.682 -18.828 -6.986 3 HA3 GLY 1 2HA GLY 1 5.936 -19.774 -6.197 4 H SER 2 H SER 2 5.437 -22.114 -5.878 5 HA SER 2 HA SER 2 3.983 -23.128 -8.229 6 HB2 SER 2 1HB SER 2 6.562 -23.515 -7.827 7 HB3 SER 2 2HB SER 2 5.987 -24.792 -6.755 8 HG SER 2 HG SER 2 4.856 -24.649 -9.296 9 H SER 3 H SER 3 4.701 -23.818 -4.823 10 HA SER 3 HA SER 3 2.132 -25.244 -4.661 11 HB2 SER 3 1HB SER 3 4.834 -26.120 -3.699 12 HB3 SER 3 2HB SER 3 3.391 -26.633 -2.824 13 HG SER 3 HG SER 3 4.110 -27.162 -5.505 14 H GLY 4 H GLY 4 1.311 -23.195 -3.897 15 HA2 GLY 4 1HA GLY 4 0.976 -23.025 -1.165 16 HA3 GLY 4 2HA GLY 4 2.339 -21.976 -1.529 17 H SER 5 H SER 5 -0.878 -22.654 -2.920 18 HA SER 5 HA SER 5 -1.179 -19.813 -3.514 19 HB2 SER 5 1HB SER 5 -3.013 -20.439 -4.918 20 HB3 SER 5 2HB SER 5 -1.729 -21.612 -5.208 21 HG SER 5 HG SER 5 -2.836 -23.122 -4.088 22 H SER 6 H SER 6 -2.804 -22.387 -1.701 23 HA SER 6 HA SER 6 -5.049 -21.191 -0.780 24 HB2 SER 6 1HB SER 6 -4.417 -23.459 -0.130 25 HB3 SER 6 2HB SER 6 -3.110 -22.829 0.873 26 HG SER 6 HG SER 6 -5.094 -21.577 1.806 27 H GLY 7 H GLY 7 -5.648 -19.721 0.774 28 HA2 GLY 7 1HA GLY 7 -5.154 -18.365 2.710 29 HA3 GLY 7 2HA GLY 7 -3.478 -18.308 2.183 30 H SER 8 H SER 8 -6.721 -17.108 1.571 31 HA SER 8 HA SER 8 -5.520 -14.809 0.179 32 HB2 SER 8 1HB SER 8 -6.770 -16.442 -1.340 33 HB3 SER 8 2HB SER 8 -8.239 -15.920 -0.516 34 HG SER 8 HG SER 8 -6.423 -14.160 -1.803 35 H GLY 9 H GLY 9 -8.552 -15.915 1.707 36 HA2 GLY 9 1HA GLY 9 -9.466 -14.879 3.653 37 HA3 GLY 9 2HA GLY 9 -8.590 -13.411 3.244 38 H GLU 10 H GLU 10 -10.298 -12.010 3.251 39 HA GLU 10 HA GLU 10 -12.518 -12.590 1.414 40 HB2 GLU 10 1HB GLU 10 -12.776 -11.927 3.963 41 HB3 GLU 10 2HB GLU 10 -12.591 -10.299 3.327 42 HG2 GLU 10 1HG GLU 10 -14.918 -10.793 3.490 43 HG3 GLU 10 2HG GLU 10 -14.477 -10.737 1.785 44 H LYS 11 H LYS 11 -13.367 -10.786 0.143 45 HA LYS 11 HA LYS 11 -11.445 -9.577 -1.452 46 HB2 LYS 11 1HB LYS 11 -14.368 -9.152 -1.024 47 HB3 LYS 11 2HB LYS 11 -13.482 -7.955 -1.958 48 HG2 LYS 11 1HG LYS 11 -14.232 -9.375 -3.599 49 HG3 LYS 11 2HG LYS 11 -12.617 -10.015 -3.285 50 HD2 LYS 11 1HD LYS 11 -13.924 -11.930 -3.300 51 HD3 LYS 11 2HD LYS 11 -13.827 -11.549 -1.580 52 HE2 LYS 11 1HE LYS 11 -16.013 -10.807 -1.488 53 HE3 LYS 11 2HE LYS 11 -16.075 -10.456 -3.214 54 HZ1 LYS 11 3HZ LYS 11 -17.229 -12.572 -2.166 55 HZ2 LYS 11 1HZ LYS 11 -15.699 -13.242 -2.434 56 HZ3 LYS 11 2HZ LYS 11 -16.574 -12.589 -3.726 57 H SER 12 H SER 12 -9.888 -8.494 -0.265 58 HA SER 12 HA SER 12 -10.534 -5.778 0.426 59 HB2 SER 12 1HB SER 12 -9.999 -7.823 2.533 60 HB3 SER 12 2HB SER 12 -9.315 -6.212 2.748 61 HG SER 12 HG SER 12 -11.331 -5.351 2.776 62 H HIS 13 H HIS 13 -8.787 -4.445 0.269 63 HA HIS 13 HA HIS 13 -6.459 -5.461 -1.010 64 HB2 HIS 13 1HB HIS 13 -6.838 -2.717 0.199 65 HB3 HIS 13 2HB HIS 13 -5.691 -3.173 -1.056 66 HD1 HIS 13 HD1 HIS 13 -6.634 -3.526 -3.452 67 HD2 HIS 13 HD2 HIS 13 -9.441 -2.238 -0.672 68 HE1 HIS 13 HE1 HIS 13 -8.624 -2.786 -4.799 69 H THR 14 H THR 14 -4.457 -5.884 -0.236 70 HA THR 14 HA THR 14 -3.992 -5.453 2.642 71 HB THR 14 HB THR 14 -3.317 -7.911 1.019 72 HG1 THR 14 HG1 THR 14 -5.456 -7.742 1.947 73 HG21 THR 14 3HG2 THR 14 -2.696 -8.288 3.747 74 HG22 THR 14 1HG2 THR 14 -1.925 -6.782 3.251 75 HG23 THR 14 2HG2 THR 14 -1.588 -8.275 2.376 76 H CYS 15 H CYS 15 -2.022 -4.690 3.222 77 HA CYS 15 HA CYS 15 -0.342 -3.624 1.152 78 HB2 CYS 15 1HB CYS 15 -0.816 -2.452 3.315 79 HB3 CYS 15 2HB CYS 15 0.158 -3.668 4.134 80 H ASP 16 H ASP 16 1.044 -4.870 0.090 81 HA ASP 16 HA ASP 16 2.039 -7.337 1.091 82 HB2 ASP 16 1HB ASP 16 3.352 -5.869 -1.170 83 HB3 ASP 16 2HB ASP 16 3.076 -7.598 -0.977 84 H GLU 17 H GLU 17 2.980 -4.122 1.580 85 HA GLU 17 HA GLU 17 5.784 -4.478 1.871 86 HB2 GLU 17 1HB GLU 17 4.088 -2.384 3.230 87 HB3 GLU 17 2HB GLU 17 5.802 -2.292 2.852 88 HG2 GLU 17 1HG GLU 17 4.935 -2.603 0.389 89 HG3 GLU 17 2HG GLU 17 3.444 -1.960 1.076 90 H CYS 18 H CYS 18 3.074 -4.504 4.155 91 HA CYS 18 HA CYS 18 4.861 -5.768 6.126 92 HB2 CYS 18 1HB CYS 18 3.491 -4.681 7.902 93 HB3 CYS 18 2HB CYS 18 4.379 -3.533 6.904 94 H GLY 19 H GLY 19 1.543 -5.442 4.935 95 HA2 GLY 19 1HA GLY 19 0.394 -7.583 4.478 96 HA3 GLY 19 2HA GLY 19 0.996 -8.131 6.035 97 H LYS 20 H LYS 20 -0.214 -4.893 5.551 98 HA LYS 20 HA LYS 20 -2.169 -5.266 7.624 99 HB2 LYS 20 1HB LYS 20 -1.247 -2.960 5.952 100 HB3 LYS 20 2HB LYS 20 -2.765 -2.830 6.832 101 HG2 LYS 20 1HG LYS 20 -0.341 -3.734 8.299 102 HG3 LYS 20 2HG LYS 20 -0.504 -2.025 7.889 103 HD2 LYS 20 1HD LYS 20 -2.497 -1.814 9.133 104 HD3 LYS 20 2HD LYS 20 -2.693 -3.564 9.262 105 HE2 LYS 20 1HE LYS 20 -0.635 -3.645 10.638 106 HE3 LYS 20 2HE LYS 20 -0.556 -1.885 10.572 107 HZ1 LYS 20 3HZ LYS 20 -1.587 -2.627 12.616 108 HZ2 LYS 20 1HZ LYS 20 -2.764 -3.482 11.753 109 HZ3 LYS 20 2HZ LYS 20 -2.715 -1.794 11.670 110 H ASN 21 H ASN 21 -4.374 -3.966 7.038 111 HA ASN 21 HA ASN 21 -5.420 -5.053 4.519 112 HB2 ASN 21 1HB ASN 21 -5.928 -6.493 6.612 113 HB3 ASN 21 2HB ASN 21 -7.044 -5.201 7.047 114 HD21 ASN 21 1HD2 ASN 21 -6.173 -7.069 4.154 115 HD22 ASN 21 2HD2 ASN 21 -7.800 -7.383 3.662 116 H PHE 22 H PHE 22 -6.898 -3.788 3.491 117 HA PHE 22 HA PHE 22 -8.072 -1.515 4.883 118 HB2 PHE 22 1HB PHE 22 -6.475 -1.125 2.346 119 HB3 PHE 22 2HB PHE 22 -7.274 0.122 3.298 120 HD1 PHE 22 HD2 PHE 22 -4.436 -2.202 3.166 121 HD2 PHE 22 HD1 PHE 22 -6.276 1.001 5.281 122 HE1 PHE 22 HE2 PHE 22 -2.371 -1.877 4.463 123 HE2 PHE 22 HE1 PHE 22 -4.213 1.333 6.580 124 HZ PHE 22 HZ PHE 22 -2.257 -0.108 6.173 125 H CYS 23 H CYS 23 -10.164 -1.774 4.475 126 HA CYS 23 HA CYS 23 -11.370 -3.280 2.544 127 HB2 CYS 23 1HB CYS 23 -12.383 -0.712 3.778 128 HB3 CYS 23 2HB CYS 23 -13.383 -1.838 2.868 129 HG CYS 23 HG CYS 23 -14.004 -2.274 5.505 130 H TYR 24 H TYR 24 -10.537 0.163 2.315 131 HA TYR 24 HA TYR 24 -11.111 0.046 -0.569 132 HB2 TYR 24 1HB TYR 24 -10.845 2.671 -0.169 133 HB3 TYR 24 2HB TYR 24 -12.369 1.833 0.102 134 HD1 TYR 24 HD2 TYR 24 -12.643 0.857 2.560 135 HD2 TYR 24 HD1 TYR 24 -10.066 4.070 1.493 136 HE1 TYR 24 HE2 TYR 24 -12.664 1.641 4.891 137 HE2 TYR 24 HE1 TYR 24 -10.079 4.863 3.821 138 HH TYR 24 HH TYR 24 -10.514 3.607 6.189 139 H ILE 25 H ILE 25 -9.460 0.051 -1.935 140 HA ILE 25 HA ILE 25 -6.814 -0.135 -1.291 141 HB ILE 25 HB ILE 25 -7.855 -0.507 -3.563 142 HG12 ILE 25 1HG1 ILE 25 -5.756 0.305 -4.782 143 HG13 ILE 25 2HG1 ILE 25 -5.252 0.982 -3.237 144 HG21 ILE 25 1HG2 ILE 25 -8.980 1.628 -3.804 145 HG22 ILE 25 2HG2 ILE 25 -7.430 2.469 -3.785 146 HG23 ILE 25 3HG2 ILE 25 -7.833 1.393 -5.122 147 HD11 ILE 25 3HD1 ILE 25 -4.188 -1.054 -3.259 148 HD12 ILE 25 1HD1 ILE 25 -5.653 -1.418 -2.349 149 HD13 ILE 25 2HD1 ILE 25 -5.536 -1.871 -4.049 150 H SER 26 H SER 26 -8.637 2.822 -1.955 151 HA SER 26 HA SER 26 -6.644 4.694 -2.084 152 HB2 SER 26 1HB SER 26 -9.337 4.910 -0.724 153 HB3 SER 26 2HB SER 26 -8.290 6.289 -1.057 154 HG SER 26 HG SER 26 -9.546 6.217 -2.810 155 H ALA 27 H ALA 27 -8.083 3.301 0.840 156 HA ALA 27 HA ALA 27 -6.687 4.851 2.715 157 HB1 ALA 27 3HB ALA 27 -8.506 2.696 2.771 158 HB2 ALA 27 1HB ALA 27 -7.117 2.229 3.753 159 HB3 ALA 27 2HB ALA 27 -7.989 3.720 4.109 160 H LEU 28 H LEU 28 -5.927 1.659 1.342 161 HA LEU 28 HA LEU 28 -3.623 1.095 2.760 162 HB2 LEU 28 1HB LEU 28 -4.298 -0.659 1.461 163 HB3 LEU 28 2HB LEU 28 -4.650 0.366 0.071 164 HG LEU 28 HG LEU 28 -2.163 0.584 -0.260 165 HD11 LEU 28 1HD1 LEU 28 -1.967 -0.470 2.233 166 HD12 LEU 28 2HD1 LEU 28 -0.666 -0.461 1.042 167 HD13 LEU 28 3HD1 LEU 28 -1.677 -1.893 1.232 168 HD21 LEU 28 3HD2 LEU 28 -2.578 -0.927 -1.828 169 HD22 LEU 28 1HD2 LEU 28 -3.940 -1.550 -0.897 170 HD23 LEU 28 2HD2 LEU 28 -2.324 -2.212 -0.646 171 H ARG 29 H ARG 29 -3.964 2.965 -0.236 172 HA ARG 29 HA ARG 29 -1.279 3.440 -0.760 173 HB2 ARG 29 1HB ARG 29 -3.530 5.404 -1.211 174 HB3 ARG 29 2HB ARG 29 -2.002 5.330 -2.078 175 HG2 ARG 29 1HG ARG 29 -3.740 2.926 -2.118 176 HG3 ARG 29 2HG ARG 29 -4.225 4.325 -3.077 177 HD2 ARG 29 1HD ARG 29 -1.545 2.949 -3.221 178 HD3 ARG 29 2HD ARG 29 -2.868 2.724 -4.364 179 HE ARG 29 HE ARG 29 -2.465 5.394 -4.417 180 HH11 ARG 29 1HH1 ARG 29 -0.344 2.656 -4.768 181 HH12 ARG 29 2HH1 ARG 29 0.754 3.477 -5.827 182 HH21 ARG 29 1HH2 ARG 29 -1.027 6.486 -5.811 183 HH22 ARG 29 2HH2 ARG 29 0.365 5.656 -6.419 184 H ILE 30 H ILE 30 -3.468 5.062 1.466 185 HA ILE 30 HA ILE 30 -1.758 7.228 2.104 186 HB ILE 30 HB ILE 30 -3.994 5.988 3.710 187 HG12 ILE 30 1HG1 ILE 30 -3.958 8.499 2.024 188 HG13 ILE 30 2HG1 ILE 30 -4.605 6.953 1.487 189 HG21 ILE 30 1HG2 ILE 30 -2.283 7.317 5.018 190 HG22 ILE 30 2HG2 ILE 30 -2.809 8.724 4.095 191 HG23 ILE 30 3HG2 ILE 30 -3.953 7.873 5.133 192 HD11 ILE 30 3HD1 ILE 30 -6.555 7.490 2.367 193 HD12 ILE 30 1HD1 ILE 30 -5.812 7.551 3.965 194 HD13 ILE 30 2HD1 ILE 30 -5.884 9.005 2.970 195 H HIS 31 H HIS 31 -2.268 4.045 3.567 196 HA HIS 31 HA HIS 31 -0.516 4.463 5.763 197 HB2 HIS 31 1HB HIS 31 -1.954 2.718 6.189 198 HB3 HIS 31 2HB HIS 31 -1.881 2.112 4.537 199 HD1 HIS 31 HD1 HIS 31 0.079 2.079 7.759 200 HD2 HIS 31 HD2 HIS 31 -0.033 0.120 4.097 201 HE1 HIS 31 HE1 HIS 31 1.654 0.133 7.990 202 H GLN 32 H GLN 32 -0.106 3.105 2.535 203 HA GLN 32 HA GLN 32 2.381 1.950 2.741 204 HB2 GLN 32 1HB GLN 32 1.047 3.433 0.494 205 HB3 GLN 32 2HB GLN 32 2.662 2.765 0.302 206 HG2 GLN 32 1HG GLN 32 1.545 0.571 1.162 207 HG3 GLN 32 2HG GLN 32 0.059 1.360 0.638 208 HE21 GLN 32 1HE2 GLN 32 0.347 2.423 -1.621 209 HE22 GLN 32 2HE2 GLN 32 1.047 1.395 -2.821 210 H ARG 33 H ARG 33 1.550 5.319 2.786 211 HA ARG 33 HA ARG 33 3.928 6.525 2.053 212 HB2 ARG 33 1HB ARG 33 2.066 7.406 4.267 213 HB3 ARG 33 2HB ARG 33 3.231 8.422 3.431 214 HG2 ARG 33 1HG ARG 33 1.996 8.033 1.324 215 HG3 ARG 33 2HG ARG 33 0.790 7.126 2.239 216 HD2 ARG 33 1HD ARG 33 1.538 10.005 2.740 217 HD3 ARG 33 2HD ARG 33 0.133 9.474 1.815 218 HE ARG 33 HE ARG 33 -0.142 8.217 4.212 219 HH11 ARG 33 1HH1 ARG 33 0.292 11.530 3.232 220 HH12 ARG 33 2HH1 ARG 33 -0.588 12.179 4.575 221 HH21 ARG 33 1HH2 ARG 33 -1.304 9.061 5.985 222 HH22 ARG 33 2HH2 ARG 33 -1.495 10.774 6.141 223 H VAL 34 H VAL 34 3.058 4.960 5.071 224 HA VAL 34 HA VAL 34 5.203 5.873 6.645 225 HB VAL 34 HB VAL 34 4.704 4.103 8.165 226 HG11 VAL 34 1HG1 VAL 34 2.974 5.955 7.675 227 HG12 VAL 34 2HG1 VAL 34 2.026 4.658 6.944 228 HG13 VAL 34 3HG1 VAL 34 2.480 4.569 8.646 229 HG21 VAL 34 3HG2 VAL 34 3.749 2.739 5.727 230 HG22 VAL 34 1HG2 VAL 34 4.562 2.088 7.151 231 HG23 VAL 34 2HG2 VAL 34 2.832 2.431 7.202 232 H HIS 35 H HIS 35 4.987 3.415 4.199 233 HA HIS 35 HA HIS 35 7.453 2.115 4.927 234 HB2 HIS 35 1HB HIS 35 5.612 1.882 2.549 235 HB3 HIS 35 2HB HIS 35 7.126 0.990 2.660 236 HD1 HIS 35 HD1 HIS 35 7.287 -0.776 4.643 237 HD2 HIS 35 HD2 HIS 35 3.506 0.790 3.930 238 HE1 HIS 35 HE1 HIS 35 5.688 -2.316 5.824 239 H MET 36 H MET 36 6.435 4.652 2.750 240 HA MET 36 HA MET 36 8.571 4.774 0.997 241 HB2 MET 36 1HB MET 36 6.686 6.803 2.111 242 HB3 MET 36 2HB MET 36 8.068 7.365 1.181 243 HG2 MET 36 1HG MET 36 6.198 7.175 -0.282 244 HG3 MET 36 2HG MET 36 7.348 5.900 -0.680 245 HE1 MET 36 3HE MET 36 5.084 4.582 -2.056 246 HE2 MET 36 1HE MET 36 6.604 3.934 -1.438 247 HE3 MET 36 2HE MET 36 5.088 3.095 -1.106 248 H GLY 37 H GLY 37 8.245 6.423 4.143 249 HA2 GLY 37 1HA GLY 37 10.006 6.674 5.700 250 HA3 GLY 37 2HA GLY 37 11.158 6.342 4.415 251 H GLU 38 H GLU 38 11.234 8.054 2.659 252 HA GLU 38 HA GLU 38 10.493 10.725 3.470 253 HB2 GLU 38 1HB GLU 38 13.366 9.819 3.432 254 HB3 GLU 38 2HB GLU 38 12.916 11.507 3.237 255 HG2 GLU 38 1HG GLU 38 11.556 11.018 5.453 256 HG3 GLU 38 2HG GLU 38 12.787 9.770 5.634 257 H LYS 39 H LYS 39 10.293 12.082 1.760 258 HA LYS 39 HA LYS 39 11.552 11.417 -0.780 259 HB2 LYS 39 1HB LYS 39 9.400 11.568 -1.999 260 HB3 LYS 39 2HB LYS 39 9.476 10.183 -0.918 261 HG2 LYS 39 1HG LYS 39 8.307 11.842 0.754 262 HG3 LYS 39 2HG LYS 39 7.817 12.642 -0.741 263 HD2 LYS 39 1HD LYS 39 7.463 9.689 -0.475 264 HD3 LYS 39 2HD LYS 39 6.319 10.773 0.321 265 HE2 LYS 39 1HE LYS 39 7.030 10.948 -2.601 266 HE3 LYS 39 2HE LYS 39 5.663 10.021 -1.985 267 HZ1 LYS 39 3HZ LYS 39 5.951 12.866 -1.281 268 HZ2 LYS 39 1HZ LYS 39 4.550 11.919 -1.350 269 HZ3 LYS 39 2HZ LYS 39 5.297 12.430 -2.779 270 H CYS 40 H CYS 40 11.321 13.146 -2.382 271 HA CYS 40 HA CYS 40 10.785 15.759 -1.132 272 HB2 CYS 40 1HB CYS 40 13.058 14.910 -2.915 273 HB3 CYS 40 2HB CYS 40 12.603 16.601 -2.745 274 HG CYS 40 HG CYS 40 14.262 16.916 -0.814 275 H SER 41 H SER 41 8.703 15.866 -2.003 276 HA SER 41 HA SER 41 8.638 16.345 -4.906 277 HB2 SER 41 1HB SER 41 6.614 14.827 -3.249 278 HB3 SER 41 2HB SER 41 6.302 15.395 -4.890 279 HG SER 41 HG SER 41 7.186 13.141 -4.487 280 H GLY 42 H GLY 42 8.027 18.349 -5.355 281 HA2 GLY 42 1HA GLY 42 7.284 20.271 -3.516 282 HA3 GLY 42 2HA GLY 42 6.945 20.373 -5.238 283 HA PRO 43 HA PRO 43 2.663 20.288 -4.260 284 HB2 PRO 43 1HB PRO 43 1.682 19.463 -6.653 285 HB3 PRO 43 2HB PRO 43 2.313 21.092 -6.383 286 HG2 PRO 43 1HG PRO 43 3.650 18.726 -7.640 287 HG3 PRO 43 2HG PRO 43 3.660 20.423 -8.157 288 HD2 PRO 43 1HD PRO 43 5.720 19.298 -6.805 289 HD3 PRO 43 2HD PRO 43 5.281 21.009 -6.626 290 H SER 44 H SER 44 2.882 18.507 -2.738 291 HA SER 44 HA SER 44 2.478 15.818 -3.760 292 HB2 SER 44 1HB SER 44 3.979 16.433 -1.769 293 HB3 SER 44 2HB SER 44 2.484 16.628 -0.854 294 HG SER 44 HG SER 44 3.782 14.399 -1.311 295 H SER 45 H SER 45 0.748 14.449 -2.881 296 HA SER 45 HA SER 45 -1.776 15.393 -3.421 297 HB2 SER 45 1HB SER 45 -2.629 13.398 -2.237 298 HB3 SER 45 2HB SER 45 -1.259 13.005 -3.276 299 HG SER 45 HG SER 45 -0.628 12.081 -1.462 300 H GLY 46 H GLY 46 -0.164 15.189 -0.267 301 HA2 GLY 46 1HA GLY 46 -0.477 16.832 1.428 302 HA3 GLY 46 2HA GLY 46 -2.048 17.206 0.734 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.391 -22.462 3.599 2 HA2 GLY 1 1HA GLY 1 0.997 -23.226 3.126 3 HA3 GLY 1 2HA GLY 1 1.700 -24.837 3.157 4 H SER 2 H SER 2 1.375 -21.902 5.135 5 HA SER 2 HA SER 2 1.756 -23.457 7.564 6 HB2 SER 2 1HB SER 2 1.335 -20.501 7.084 7 HB3 SER 2 2HB SER 2 1.503 -21.215 8.687 8 HG SER 2 HG SER 2 3.435 -21.653 6.678 9 H SER 3 H SER 3 0.106 -24.465 8.478 10 HA SER 3 HA SER 3 -1.976 -24.959 9.249 11 HB2 SER 3 1HB SER 3 -1.744 -22.573 10.139 12 HB3 SER 3 2HB SER 3 -2.735 -22.078 8.766 13 HG SER 3 HG SER 3 -3.782 -22.651 10.898 14 H GLY 4 H GLY 4 -1.463 -25.471 6.570 15 HA2 GLY 4 1HA GLY 4 -3.001 -24.592 4.559 16 HA3 GLY 4 2HA GLY 4 -2.754 -26.311 4.831 17 H SER 5 H SER 5 -4.208 -26.325 7.359 18 HA SER 5 HA SER 5 -6.881 -26.512 6.237 19 HB2 SER 5 1HB SER 5 -7.438 -27.605 8.406 20 HB3 SER 5 2HB SER 5 -6.099 -28.388 7.567 21 HG SER 5 HG SER 5 -5.080 -28.102 9.380 22 H SER 6 H SER 6 -6.262 -23.917 6.274 23 HA SER 6 HA SER 6 -8.242 -22.809 8.008 24 HB2 SER 6 1HB SER 6 -6.924 -21.465 9.426 25 HB3 SER 6 2HB SER 6 -6.119 -23.034 9.455 26 HG SER 6 HG SER 6 -4.864 -20.948 9.044 27 H GLY 7 H GLY 7 -8.368 -20.380 7.732 28 HA2 GLY 7 1HA GLY 7 -7.644 -18.473 6.367 29 HA3 GLY 7 2HA GLY 7 -7.377 -19.613 5.056 30 H SER 8 H SER 8 -9.557 -17.467 6.487 31 HA SER 8 HA SER 8 -11.941 -18.652 5.349 32 HB2 SER 8 1HB SER 8 -13.061 -16.602 6.226 33 HB3 SER 8 2HB SER 8 -12.163 -17.483 7.462 34 HG SER 8 HG SER 8 -10.553 -15.960 7.363 35 H GLY 9 H GLY 9 -9.912 -15.796 4.773 36 HA2 GLY 9 1HA GLY 9 -9.435 -14.846 2.687 37 HA3 GLY 9 2HA GLY 9 -10.708 -15.827 1.974 38 H GLU 10 H GLU 10 -9.916 -12.797 2.216 39 HA GLU 10 HA GLU 10 -12.685 -11.894 2.289 40 HB2 GLU 10 1HB GLU 10 -11.817 -11.591 4.594 41 HB3 GLU 10 2HB GLU 10 -10.534 -10.574 3.953 42 HG2 GLU 10 1HG GLU 10 -12.115 -8.927 3.231 43 HG3 GLU 10 2HG GLU 10 -13.467 -9.975 3.658 44 H LYS 11 H LYS 11 -13.096 -10.436 0.746 45 HA LYS 11 HA LYS 11 -11.013 -9.683 -1.070 46 HB2 LYS 11 1HB LYS 11 -13.911 -8.822 -0.960 47 HB3 LYS 11 2HB LYS 11 -12.813 -8.536 -2.304 48 HG2 LYS 11 1HG LYS 11 -12.705 -10.830 -2.836 49 HG3 LYS 11 2HG LYS 11 -13.465 -11.295 -1.312 50 HD2 LYS 11 1HD LYS 11 -15.502 -10.005 -2.096 51 HD3 LYS 11 2HD LYS 11 -14.727 -9.930 -3.680 52 HE2 LYS 11 1HE LYS 11 -15.156 -12.527 -2.231 53 HE3 LYS 11 2HE LYS 11 -16.391 -11.822 -3.274 54 HZ1 LYS 11 3HZ LYS 11 -14.945 -11.962 -5.134 55 HZ2 LYS 11 1HZ LYS 11 -14.916 -13.474 -4.375 56 HZ3 LYS 11 2HZ LYS 11 -13.624 -12.401 -4.173 57 H SER 12 H SER 12 -9.577 -8.351 0.006 58 HA SER 12 HA SER 12 -10.387 -5.587 0.221 59 HB2 SER 12 1HB SER 12 -9.499 -7.159 2.643 60 HB3 SER 12 2HB SER 12 -9.415 -5.399 2.564 61 HG SER 12 HG SER 12 -11.363 -6.113 3.520 62 H HIS 13 H HIS 13 -8.667 -4.151 0.091 63 HA HIS 13 HA HIS 13 -6.333 -5.108 -1.185 64 HB2 HIS 13 1HB HIS 13 -6.871 -2.392 0.036 65 HB3 HIS 13 2HB HIS 13 -5.560 -2.771 -1.078 66 HD1 HIS 13 HD1 HIS 13 -6.157 -3.036 -3.567 67 HD2 HIS 13 HD2 HIS 13 -9.412 -2.161 -1.138 68 HE1 HIS 13 HE1 HIS 13 -8.022 -2.420 -5.138 69 H THR 14 H THR 14 -4.756 -6.187 -0.213 70 HA THR 14 HA THR 14 -4.084 -5.528 2.572 71 HB THR 14 HB THR 14 -3.435 -8.012 0.973 72 HG1 THR 14 HG1 THR 14 -5.313 -8.642 1.692 73 HG21 THR 14 3HG2 THR 14 -3.125 -8.129 3.869 74 HG22 THR 14 1HG2 THR 14 -2.018 -6.988 3.106 75 HG23 THR 14 2HG2 THR 14 -2.037 -8.675 2.594 76 H CYS 15 H CYS 15 -2.116 -4.771 3.115 77 HA CYS 15 HA CYS 15 -0.376 -3.855 1.028 78 HB2 CYS 15 1HB CYS 15 -0.787 -2.556 3.101 79 HB3 CYS 15 2HB CYS 15 0.038 -3.807 4.025 80 H ASP 16 H ASP 16 1.215 -4.961 0.121 81 HA ASP 16 HA ASP 16 2.035 -7.510 1.181 82 HB2 ASP 16 1HB ASP 16 1.767 -6.763 -1.316 83 HB3 ASP 16 2HB ASP 16 3.411 -6.163 -1.117 84 H GLU 17 H GLU 17 2.980 -4.342 1.704 85 HA GLU 17 HA GLU 17 5.797 -4.742 2.002 86 HB2 GLU 17 1HB GLU 17 4.136 -2.550 3.244 87 HB3 GLU 17 2HB GLU 17 5.858 -2.519 2.891 88 HG2 GLU 17 1HG GLU 17 3.818 -2.828 0.719 89 HG3 GLU 17 2HG GLU 17 4.288 -1.244 1.335 90 H CYS 18 H CYS 18 3.039 -4.623 4.220 91 HA CYS 18 HA CYS 18 4.744 -5.872 6.270 92 HB2 CYS 18 1HB CYS 18 3.454 -4.643 7.992 93 HB3 CYS 18 2HB CYS 18 4.352 -3.566 6.927 94 H GLY 19 H GLY 19 1.519 -5.500 4.902 95 HA2 GLY 19 1HA GLY 19 0.302 -7.627 4.563 96 HA3 GLY 19 2HA GLY 19 0.774 -8.048 6.203 97 H LYS 20 H LYS 20 -0.009 -4.772 5.849 98 HA LYS 20 HA LYS 20 -2.110 -4.817 7.668 99 HB2 LYS 20 1HB LYS 20 -1.102 -2.836 5.680 100 HB3 LYS 20 2HB LYS 20 -2.673 -2.541 6.414 101 HG2 LYS 20 1HG LYS 20 -0.223 -3.099 8.054 102 HG3 LYS 20 2HG LYS 20 -0.660 -1.473 7.523 103 HD2 LYS 20 1HD LYS 20 -2.566 -1.417 8.835 104 HD3 LYS 20 2HD LYS 20 -2.680 -3.176 8.922 105 HE2 LYS 20 1HE LYS 20 -0.313 -1.825 10.126 106 HE3 LYS 20 2HE LYS 20 -1.854 -1.755 10.980 107 HZ1 LYS 20 3HZ LYS 20 -0.484 -3.642 11.674 108 HZ2 LYS 20 1HZ LYS 20 -0.512 -4.253 10.097 109 HZ3 LYS 20 2HZ LYS 20 -1.945 -4.150 10.990 110 H ASN 21 H ASN 21 -4.333 -3.725 6.988 111 HA ASN 21 HA ASN 21 -5.387 -5.071 4.602 112 HB2 ASN 21 1HB ASN 21 -5.790 -6.269 6.918 113 HB3 ASN 21 2HB ASN 21 -7.046 -5.046 7.092 114 HD21 ASN 21 1HD2 ASN 21 -6.149 -7.992 5.661 115 HD22 ASN 21 2HD2 ASN 21 -7.578 -8.244 4.723 116 H PHE 22 H PHE 22 -6.867 -3.921 3.474 117 HA PHE 22 HA PHE 22 -8.234 -1.669 4.682 118 HB2 PHE 22 1HB PHE 22 -6.477 -1.192 2.272 119 HB3 PHE 22 2HB PHE 22 -7.381 0.005 3.193 120 HD1 PHE 22 HD1 PHE 22 -6.624 0.686 5.423 121 HD2 PHE 22 HD2 PHE 22 -4.353 -1.983 3.008 122 HE1 PHE 22 HE1 PHE 22 -4.653 1.086 6.841 123 HE2 PHE 22 HE2 PHE 22 -2.378 -1.589 4.422 124 HZ PHE 22 HZ PHE 22 -2.527 -0.053 6.342 125 H CYS 23 H CYS 23 -10.260 -2.039 4.082 126 HA CYS 23 HA CYS 23 -11.052 -3.597 1.893 127 HB2 CYS 23 1HB CYS 23 -12.421 -3.030 3.947 128 HB3 CYS 23 2HB CYS 23 -12.731 -1.462 3.212 129 HG CYS 23 HG CYS 23 -14.920 -2.340 2.192 130 H TYR 24 H TYR 24 -10.338 -0.203 2.172 131 HA TYR 24 HA TYR 24 -11.122 0.171 -0.644 132 HB2 TYR 24 1HB TYR 24 -10.963 2.700 0.180 133 HB3 TYR 24 2HB TYR 24 -12.433 1.750 0.369 134 HD1 TYR 24 HD2 TYR 24 -12.650 0.449 2.632 135 HD2 TYR 24 HD1 TYR 24 -10.062 3.772 2.027 136 HE1 TYR 24 HE2 TYR 24 -12.594 0.840 5.059 137 HE2 TYR 24 HE1 TYR 24 -9.999 4.172 4.453 138 HH TYR 24 HH TYR 24 -10.955 1.956 6.706 139 H ILE 25 H ILE 25 -9.414 0.131 -1.936 140 HA ILE 25 HA ILE 25 -6.783 0.113 -1.395 141 HB ILE 25 HB ILE 25 -7.802 -0.085 -3.673 142 HG12 ILE 25 1HG1 ILE 25 -5.823 1.260 -4.777 143 HG13 ILE 25 2HG1 ILE 25 -5.319 1.488 -3.105 144 HG21 ILE 25 1HG2 ILE 25 -9.078 2.078 -3.470 145 HG22 ILE 25 2HG2 ILE 25 -7.557 2.911 -3.783 146 HG23 ILE 25 3HG2 ILE 25 -8.237 1.832 -5.000 147 HD11 ILE 25 3HD1 ILE 25 -5.524 -1.040 -4.683 148 HD12 ILE 25 1HD1 ILE 25 -4.156 -0.396 -3.776 149 HD13 ILE 25 2HD1 ILE 25 -5.545 -1.066 -2.920 150 H SER 26 H SER 26 -8.678 3.078 -1.905 151 HA SER 26 HA SER 26 -6.826 5.033 -1.803 152 HB2 SER 26 1HB SER 26 -9.404 5.032 -0.214 153 HB3 SER 26 2HB SER 26 -8.481 6.462 -0.674 154 HG SER 26 HG SER 26 -8.805 5.673 -2.905 155 H ALA 27 H ALA 27 -8.149 3.388 1.059 156 HA ALA 27 HA ALA 27 -6.667 4.771 2.988 157 HB1 ALA 27 3HB ALA 27 -6.999 2.220 4.019 158 HB2 ALA 27 1HB ALA 27 -8.106 3.581 4.197 159 HB3 ALA 27 2HB ALA 27 -8.345 2.414 2.896 160 H LEU 28 H LEU 28 -5.982 1.646 1.418 161 HA LEU 28 HA LEU 28 -3.622 0.996 2.666 162 HB2 LEU 28 1HB LEU 28 -4.391 -0.637 1.247 163 HB3 LEU 28 2HB LEU 28 -4.713 0.501 -0.059 164 HG LEU 28 HG LEU 28 -2.232 0.670 -0.398 165 HD11 LEU 28 1HD1 LEU 28 -2.179 -0.762 2.019 166 HD12 LEU 28 2HD1 LEU 28 -0.814 -0.285 1.011 167 HD13 LEU 28 3HD1 LEU 28 -1.577 -1.856 0.774 168 HD21 LEU 28 3HD2 LEU 28 -2.064 -1.562 -1.498 169 HD22 LEU 28 1HD2 LEU 28 -3.531 -0.667 -1.896 170 HD23 LEU 28 2HD2 LEU 28 -3.596 -1.996 -0.738 171 H ARG 29 H ARG 29 -4.041 3.050 -0.205 172 HA ARG 29 HA ARG 29 -1.368 3.581 -0.735 173 HB2 ARG 29 1HB ARG 29 -3.646 5.539 -1.056 174 HB3 ARG 29 2HB ARG 29 -2.127 5.530 -1.943 175 HG2 ARG 29 1HG ARG 29 -4.175 3.328 -2.070 176 HG3 ARG 29 2HG ARG 29 -4.061 4.657 -3.226 177 HD2 ARG 29 1HD ARG 29 -1.997 2.535 -2.666 178 HD3 ARG 29 2HD ARG 29 -2.935 2.749 -4.143 179 HE ARG 29 HE ARG 29 -1.521 5.101 -3.722 180 HH11 ARG 29 1HH1 ARG 29 -0.847 1.746 -4.360 181 HH12 ARG 29 2HH1 ARG 29 0.639 2.068 -5.190 182 HH21 ARG 29 1HH2 ARG 29 0.434 5.538 -4.813 183 HH22 ARG 29 2HH2 ARG 29 1.367 4.225 -5.447 184 H ILE 30 H ILE 30 -3.603 5.267 1.441 185 HA ILE 30 HA ILE 30 -1.851 7.323 2.219 186 HB ILE 30 HB ILE 30 -4.158 6.076 3.714 187 HG12 ILE 30 1HG1 ILE 30 -4.050 8.740 2.305 188 HG13 ILE 30 2HG1 ILE 30 -4.546 7.264 1.485 189 HG21 ILE 30 1HG2 ILE 30 -4.114 7.943 5.206 190 HG22 ILE 30 2HG2 ILE 30 -2.508 7.215 5.197 191 HG23 ILE 30 3HG2 ILE 30 -2.806 8.703 4.299 192 HD11 ILE 30 3HD1 ILE 30 -6.302 7.008 3.269 193 HD12 ILE 30 1HD1 ILE 30 -5.894 8.645 3.782 194 HD13 ILE 30 2HD1 ILE 30 -6.517 8.360 2.156 195 H HIS 31 H HIS 31 -2.293 4.041 3.390 196 HA HIS 31 HA HIS 31 -0.648 4.362 5.708 197 HB2 HIS 31 1HB HIS 31 -2.089 2.587 5.989 198 HB3 HIS 31 2HB HIS 31 -1.954 2.072 4.310 199 HD1 HIS 31 HD1 HIS 31 -0.114 1.873 7.594 200 HD2 HIS 31 HD2 HIS 31 -0.062 0.131 3.823 201 HE1 HIS 31 HE1 HIS 31 1.476 -0.067 7.772 202 H GLN 32 H GLN 32 -0.148 3.139 2.431 203 HA GLN 32 HA GLN 32 2.357 2.025 2.657 204 HB2 GLN 32 1HB GLN 32 1.048 3.551 0.422 205 HB3 GLN 32 2HB GLN 32 2.672 2.900 0.248 206 HG2 GLN 32 1HG GLN 32 1.604 0.668 0.982 207 HG3 GLN 32 2HG GLN 32 0.080 1.446 0.558 208 HE21 GLN 32 1HE2 GLN 32 0.249 2.626 -1.652 209 HE22 GLN 32 2HE2 GLN 32 0.925 1.681 -2.930 210 H ARG 33 H ARG 33 1.459 5.331 2.952 211 HA ARG 33 HA ARG 33 3.780 6.665 2.229 212 HB2 ARG 33 1HB ARG 33 1.890 7.299 4.503 213 HB3 ARG 33 2HB ARG 33 3.074 8.413 3.832 214 HG2 ARG 33 1HG ARG 33 1.931 8.438 1.717 215 HG3 ARG 33 2HG ARG 33 0.810 7.192 2.270 216 HD2 ARG 33 1HD ARG 33 -0.337 8.639 3.638 217 HD3 ARG 33 2HD ARG 33 1.047 9.714 3.837 218 HE ARG 33 HE ARG 33 -1.003 9.979 1.930 219 HH11 ARG 33 1HH1 ARG 33 2.457 10.232 2.222 220 HH12 ARG 33 2HH1 ARG 33 2.609 11.403 0.953 221 HH21 ARG 33 1HH2 ARG 33 -0.816 11.520 0.258 222 HH22 ARG 33 2HH2 ARG 33 0.747 12.135 -0.162 223 H VAL 34 H VAL 34 3.146 4.644 4.969 224 HA VAL 34 HA VAL 34 5.307 5.576 6.592 225 HB VAL 34 HB VAL 34 4.857 3.738 8.035 226 HG11 VAL 34 1HG1 VAL 34 2.804 4.390 8.700 227 HG12 VAL 34 2HG1 VAL 34 2.986 5.581 7.411 228 HG13 VAL 34 3HG1 VAL 34 2.082 4.094 7.119 229 HG21 VAL 34 3HG2 VAL 34 3.191 1.956 7.286 230 HG22 VAL 34 1HG2 VAL 34 3.501 2.526 5.645 231 HG23 VAL 34 2HG2 VAL 34 4.820 1.868 6.614 232 H HIS 35 H HIS 35 4.954 3.217 4.053 233 HA HIS 35 HA HIS 35 7.523 1.987 4.582 234 HB2 HIS 35 1HB HIS 35 5.518 1.609 2.351 235 HB3 HIS 35 2HB HIS 35 7.023 0.705 2.484 236 HD1 HIS 35 HD1 HIS 35 7.234 -0.728 4.806 237 HD2 HIS 35 HD2 HIS 35 3.428 0.474 3.654 238 HE1 HIS 35 HE1 HIS 35 5.648 -2.197 6.090 239 H MET 36 H MET 36 6.936 4.910 3.612 240 HA MET 36 HA MET 36 8.813 4.892 1.346 241 HB2 MET 36 1HB MET 36 6.689 6.855 2.186 242 HB3 MET 36 2HB MET 36 7.947 7.283 1.035 243 HG2 MET 36 1HG MET 36 7.120 5.073 -0.148 244 HG3 MET 36 2HG MET 36 5.641 5.445 0.734 245 HE1 MET 36 3HE MET 36 3.978 7.334 0.102 246 HE2 MET 36 1HE MET 36 5.204 8.368 0.836 247 HE3 MET 36 2HE MET 36 4.493 8.810 -0.717 248 H GLY 37 H GLY 37 10.803 5.667 1.636 249 HA2 GLY 37 1HA GLY 37 11.329 7.792 3.526 250 HA3 GLY 37 2HA GLY 37 12.010 6.238 3.985 251 H GLU 38 H GLU 38 13.667 8.371 3.593 252 HA GLU 38 HA GLU 38 14.677 8.782 1.039 253 HB2 GLU 38 1HB GLU 38 16.206 8.741 3.647 254 HB3 GLU 38 2HB GLU 38 16.767 9.465 2.147 255 HG2 GLU 38 1HG GLU 38 14.855 11.019 2.217 256 HG3 GLU 38 2HG GLU 38 14.385 10.329 3.770 257 H LYS 39 H LYS 39 15.111 7.148 -0.313 258 HA LYS 39 HA LYS 39 16.057 4.607 0.439 259 HB2 LYS 39 1HB LYS 39 16.314 4.170 -1.898 260 HB3 LYS 39 2HB LYS 39 14.881 5.170 -1.704 261 HG2 LYS 39 1HG LYS 39 15.835 6.981 -2.716 262 HG3 LYS 39 2HG LYS 39 17.474 6.513 -2.257 263 HD2 LYS 39 1HD LYS 39 17.498 6.067 -4.516 264 HD3 LYS 39 2HD LYS 39 17.026 4.495 -3.864 265 HE2 LYS 39 1HE LYS 39 14.932 6.493 -4.611 266 HE3 LYS 39 2HE LYS 39 15.713 5.532 -5.865 267 HZ1 LYS 39 3HZ LYS 39 15.092 3.543 -4.458 268 HZ2 LYS 39 1HZ LYS 39 13.819 4.333 -5.244 269 HZ3 LYS 39 2HZ LYS 39 14.077 4.582 -3.591 270 H CYS 40 H CYS 40 17.662 7.585 0.152 271 HA CYS 40 HA CYS 40 20.267 6.209 0.211 272 HB2 CYS 40 1HB CYS 40 20.130 7.383 -1.881 273 HB3 CYS 40 2HB CYS 40 19.550 8.841 -1.087 274 HG CYS 40 HG CYS 40 22.578 7.718 -0.115 275 H SER 41 H SER 41 20.265 6.152 2.476 276 HA SER 41 HA SER 41 19.899 8.533 4.032 277 HB2 SER 41 1HB SER 41 20.716 5.709 4.635 278 HB3 SER 41 2HB SER 41 20.935 6.964 5.854 279 HG SER 41 HG SER 41 18.618 5.804 4.899 280 H GLY 42 H GLY 42 21.733 8.913 5.786 281 HA2 GLY 42 1HA GLY 42 23.753 10.353 4.739 282 HA3 GLY 42 2HA GLY 42 23.931 9.483 6.255 283 HA PRO 43 HA PRO 43 26.571 7.729 2.621 284 HB2 PRO 43 1HB PRO 43 28.804 9.265 2.782 285 HB3 PRO 43 2HB PRO 43 27.449 9.649 1.715 286 HG2 PRO 43 1HG PRO 43 28.116 10.772 4.409 287 HG3 PRO 43 2HG PRO 43 27.563 11.616 2.951 288 HD2 PRO 43 1HD PRO 43 25.900 11.000 4.998 289 HD3 PRO 43 2HD PRO 43 25.357 11.049 3.308 290 H SER 44 H SER 44 27.947 9.240 5.549 291 HA SER 44 HA SER 44 29.920 7.308 6.011 292 HB2 SER 44 1HB SER 44 30.134 8.259 8.214 293 HB3 SER 44 2HB SER 44 29.793 9.573 7.089 294 HG SER 44 HG SER 44 28.537 9.284 9.219 295 H SER 45 H SER 45 30.012 5.501 7.332 296 HA SER 45 HA SER 45 27.471 4.511 8.422 297 HB2 SER 45 1HB SER 45 29.202 3.227 6.365 298 HB3 SER 45 2HB SER 45 28.474 2.182 7.584 299 HG SER 45 HG SER 45 27.241 2.637 5.564 300 H GLY 46 H GLY 46 27.939 4.612 10.547 301 HA2 GLY 46 1HA GLY 46 30.435 3.305 11.442 302 HA3 GLY 46 2HA GLY 46 29.682 4.651 12.286 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.979 -27.419 4.091 2 HA2 GLY 1 1HA GLY 1 1.629 -30.040 2.881 3 HA3 GLY 1 2HA GLY 1 1.411 -29.976 4.624 4 H SER 2 H SER 2 0.200 -27.425 4.785 5 HA SER 2 HA SER 2 -2.406 -28.041 3.564 6 HB2 SER 2 1HB SER 2 -1.710 -26.533 6.091 7 HB3 SER 2 2HB SER 2 -3.336 -26.599 5.411 8 HG SER 2 HG SER 2 -3.461 -28.719 5.870 9 H SER 3 H SER 3 -3.804 -25.988 3.321 10 HA SER 3 HA SER 3 -2.881 -24.436 1.278 11 HB2 SER 3 1HB SER 3 -4.667 -22.807 1.869 12 HB3 SER 3 2HB SER 3 -5.233 -24.477 1.892 13 HG SER 3 HG SER 3 -4.249 -23.419 4.275 14 H GLY 4 H GLY 4 -1.851 -22.484 1.027 15 HA2 GLY 4 1HA GLY 4 0.159 -21.773 2.800 16 HA3 GLY 4 2HA GLY 4 -0.472 -20.722 1.541 17 H SER 5 H SER 5 -2.266 -19.336 2.052 18 HA SER 5 HA SER 5 -2.409 -18.716 4.929 19 HB2 SER 5 1HB SER 5 -2.857 -16.378 4.257 20 HB3 SER 5 2HB SER 5 -1.300 -16.947 3.657 21 HG SER 5 HG SER 5 -2.809 -17.542 1.728 22 H SER 6 H SER 6 -4.307 -19.057 5.854 23 HA SER 6 HA SER 6 -6.689 -19.297 4.160 24 HB2 SER 6 1HB SER 6 -5.898 -20.420 6.818 25 HB3 SER 6 2HB SER 6 -7.612 -20.218 6.458 26 HG SER 6 HG SER 6 -6.321 -22.265 5.822 27 H GLY 7 H GLY 7 -7.059 -17.050 3.913 28 HA2 GLY 7 1HA GLY 7 -8.882 -15.921 5.687 29 HA3 GLY 7 2HA GLY 7 -7.306 -15.259 6.095 30 H SER 8 H SER 8 -8.823 -16.059 2.976 31 HA SER 8 HA SER 8 -8.635 -13.222 2.236 32 HB2 SER 8 1HB SER 8 -6.680 -14.452 1.306 33 HB3 SER 8 2HB SER 8 -7.793 -15.512 0.441 34 HG SER 8 HG SER 8 -6.832 -13.357 -0.503 35 H GLY 9 H GLY 9 -10.925 -13.233 2.667 36 HA2 GLY 9 1HA GLY 9 -12.485 -14.583 0.550 37 HA3 GLY 9 2HA GLY 9 -13.105 -14.267 2.164 38 H GLU 10 H GLU 10 -13.572 -12.084 2.769 39 HA GLU 10 HA GLU 10 -14.998 -10.632 0.908 40 HB2 GLU 10 1HB GLU 10 -14.923 -10.445 3.494 41 HB3 GLU 10 2HB GLU 10 -13.645 -9.270 3.217 42 HG2 GLU 10 1HG GLU 10 -15.091 -7.804 2.085 43 HG3 GLU 10 2HG GLU 10 -16.336 -9.040 1.914 44 H LYS 11 H LYS 11 -14.275 -9.754 -0.911 45 HA LYS 11 HA LYS 11 -11.788 -9.248 -1.780 46 HB2 LYS 11 1HB LYS 11 -13.881 -8.888 -3.086 47 HB3 LYS 11 2HB LYS 11 -14.097 -7.354 -2.252 48 HG2 LYS 11 1HG LYS 11 -11.935 -6.592 -3.178 49 HG3 LYS 11 2HG LYS 11 -11.830 -8.101 -4.087 50 HD2 LYS 11 1HD LYS 11 -14.282 -6.421 -4.342 51 HD3 LYS 11 2HD LYS 11 -12.814 -5.930 -5.190 52 HE2 LYS 11 1HE LYS 11 -14.064 -7.257 -6.706 53 HE3 LYS 11 2HE LYS 11 -12.723 -8.257 -6.147 54 HZ1 LYS 11 3HZ LYS 11 -14.106 -9.697 -5.172 55 HZ2 LYS 11 1HZ LYS 11 -15.302 -9.016 -6.156 56 HZ3 LYS 11 2HZ LYS 11 -15.120 -8.489 -4.559 57 H SER 12 H SER 12 -10.182 -8.390 -0.609 58 HA SER 12 HA SER 12 -10.395 -5.591 0.161 59 HB2 SER 12 1HB SER 12 -9.569 -5.976 2.430 60 HB3 SER 12 2HB SER 12 -11.085 -6.842 2.182 61 HG SER 12 HG SER 12 -8.937 -7.882 3.091 62 H HIS 13 H HIS 13 -8.358 -4.564 0.471 63 HA HIS 13 HA HIS 13 -6.206 -5.903 -0.981 64 HB2 HIS 13 1HB HIS 13 -6.538 -3.014 -0.146 65 HB3 HIS 13 2HB HIS 13 -5.185 -3.643 -1.082 66 HD1 HIS 13 HD1 HIS 13 -5.565 -4.064 -3.567 67 HD2 HIS 13 HD2 HIS 13 -8.993 -2.857 -1.554 68 HE1 HIS 13 HE1 HIS 13 -7.249 -3.544 -5.361 69 H THR 14 H THR 14 -4.075 -6.015 -0.193 70 HA THR 14 HA THR 14 -3.746 -5.533 2.689 71 HB THR 14 HB THR 14 -2.891 -8.039 1.227 72 HG1 THR 14 HG1 THR 14 -4.361 -8.984 2.816 73 HG21 THR 14 3HG2 THR 14 -1.838 -8.770 3.178 74 HG22 THR 14 1HG2 THR 14 -2.644 -7.563 4.180 75 HG23 THR 14 2HG2 THR 14 -1.362 -7.075 3.071 76 H CYS 15 H CYS 15 -1.757 -4.816 3.328 77 HA CYS 15 HA CYS 15 -0.026 -3.804 1.256 78 HB2 CYS 15 1HB CYS 15 -0.580 -2.512 3.322 79 HB3 CYS 15 2HB CYS 15 0.341 -3.687 4.256 80 H ASP 16 H ASP 16 1.520 -4.978 0.358 81 HA ASP 16 HA ASP 16 2.458 -7.421 1.519 82 HB2 ASP 16 1HB ASP 16 2.943 -5.919 -1.006 83 HB3 ASP 16 2HB ASP 16 4.168 -7.081 -0.504 84 H GLU 17 H GLU 17 3.352 -4.163 1.818 85 HA GLU 17 HA GLU 17 6.143 -4.464 2.237 86 HB2 GLU 17 1HB GLU 17 4.356 -2.312 3.375 87 HB3 GLU 17 2HB GLU 17 6.091 -2.220 3.107 88 HG2 GLU 17 1HG GLU 17 4.095 -2.583 0.891 89 HG3 GLU 17 2HG GLU 17 4.666 -1.009 1.440 90 H CYS 18 H CYS 18 3.367 -4.322 4.442 91 HA CYS 18 HA CYS 18 5.099 -5.440 6.549 92 HB2 CYS 18 1HB CYS 18 3.738 -4.252 8.208 93 HB3 CYS 18 2HB CYS 18 4.477 -3.126 7.074 94 H GLY 19 H GLY 19 1.889 -5.359 5.096 95 HA2 GLY 19 1HA GLY 19 0.816 -7.550 4.784 96 HA3 GLY 19 2HA GLY 19 1.331 -7.943 6.418 97 H LYS 20 H LYS 20 0.241 -4.737 5.944 98 HA LYS 20 HA LYS 20 -1.909 -5.066 7.772 99 HB2 LYS 20 1HB LYS 20 -0.834 -2.824 6.121 100 HB3 LYS 20 2HB LYS 20 -2.451 -2.660 6.793 101 HG2 LYS 20 1HG LYS 20 -0.239 -3.494 8.597 102 HG3 LYS 20 2HG LYS 20 -0.339 -1.805 8.093 103 HD2 LYS 20 1HD LYS 20 -2.808 -1.963 8.814 104 HD3 LYS 20 2HD LYS 20 -2.311 -3.423 9.673 105 HE2 LYS 20 1HE LYS 20 -2.134 -1.718 11.266 106 HE3 LYS 20 2HE LYS 20 -0.480 -1.974 10.711 107 HZ1 LYS 20 3HZ LYS 20 -1.996 0.389 10.650 108 HZ2 LYS 20 1HZ LYS 20 -1.640 -0.054 9.057 109 HZ3 LYS 20 2HZ LYS 20 -0.389 0.157 10.175 110 H ASN 21 H ASN 21 -4.164 -4.343 7.276 111 HA ASN 21 HA ASN 21 -4.997 -5.245 4.598 112 HB2 ASN 21 1HB ASN 21 -6.230 -5.856 7.284 113 HB3 ASN 21 2HB ASN 21 -7.104 -6.072 5.771 114 HD21 ASN 21 1HD2 ASN 21 -7.166 -8.303 6.658 115 HD22 ASN 21 2HD2 ASN 21 -5.863 -9.362 6.249 116 H PHE 22 H PHE 22 -6.489 -4.032 3.547 117 HA PHE 22 HA PHE 22 -7.876 -1.907 4.997 118 HB2 PHE 22 1HB PHE 22 -6.312 -1.371 2.465 119 HB3 PHE 22 2HB PHE 22 -7.209 -0.196 3.422 120 HD1 PHE 22 HD2 PHE 22 -4.189 -2.268 3.262 121 HD2 PHE 22 HD1 PHE 22 -6.301 0.716 5.443 122 HE1 PHE 22 HE2 PHE 22 -2.161 -1.794 4.571 123 HE2 PHE 22 HE1 PHE 22 -4.275 1.195 6.755 124 HZ PHE 22 HZ PHE 22 -2.202 -0.062 6.321 125 H CYS 23 H CYS 23 -9.947 -2.289 4.586 126 HA CYS 23 HA CYS 23 -11.054 -3.858 2.645 127 HB2 CYS 23 1HB CYS 23 -12.262 -2.876 4.598 128 HB3 CYS 23 2HB CYS 23 -12.327 -1.342 3.738 129 HG CYS 23 HG CYS 23 -14.386 -1.860 2.270 130 H TYR 24 H TYR 24 -10.440 -0.368 2.444 131 HA TYR 24 HA TYR 24 -11.025 -0.493 -0.437 132 HB2 TYR 24 1HB TYR 24 -10.915 2.139 -0.014 133 HB3 TYR 24 2HB TYR 24 -12.384 1.209 0.259 134 HD1 TYR 24 HD2 TYR 24 -12.732 0.301 2.672 135 HD2 TYR 24 HD1 TYR 24 -10.058 3.463 1.693 136 HE1 TYR 24 HE2 TYR 24 -12.785 1.062 5.010 137 HE2 TYR 24 HE1 TYR 24 -10.102 4.232 4.028 138 HH TYR 24 HH TYR 24 -12.376 3.329 6.218 139 H ILE 25 H ILE 25 -9.410 -0.298 -1.840 140 HA ILE 25 HA ILE 25 -6.743 -0.357 -1.209 141 HB ILE 25 HB ILE 25 -7.750 -0.779 -3.474 142 HG12 ILE 25 1HG1 ILE 25 -5.754 0.197 -4.711 143 HG13 ILE 25 2HG1 ILE 25 -5.303 0.968 -3.195 144 HG21 ILE 25 1HG2 ILE 25 -7.551 2.218 -3.737 145 HG22 ILE 25 2HG2 ILE 25 -8.000 1.083 -5.008 146 HG23 ILE 25 3HG2 ILE 25 -9.052 1.302 -3.609 147 HD11 ILE 25 3HD1 ILE 25 -4.091 -0.885 -2.898 148 HD12 ILE 25 1HD1 ILE 25 -5.625 -1.593 -2.391 149 HD13 ILE 25 2HD1 ILE 25 -5.050 -1.821 -4.043 150 H SER 26 H SER 26 -8.723 2.500 -1.903 151 HA SER 26 HA SER 26 -6.881 4.494 -2.008 152 HB2 SER 26 1HB SER 26 -9.542 4.508 -0.571 153 HB3 SER 26 2HB SER 26 -8.597 5.960 -0.898 154 HG SER 26 HG SER 26 -8.787 5.507 -3.117 155 H ALA 27 H ALA 27 -8.150 2.989 0.942 156 HA ALA 27 HA ALA 27 -6.777 4.599 2.787 157 HB1 ALA 27 3HB ALA 27 -7.033 2.008 3.886 158 HB2 ALA 27 1HB ALA 27 -8.053 3.420 4.163 159 HB3 ALA 27 2HB ALA 27 -8.443 2.290 2.866 160 H LEU 28 H LEU 28 -5.921 1.421 1.427 161 HA LEU 28 HA LEU 28 -3.554 0.965 2.755 162 HB2 LEU 28 1HB LEU 28 -4.190 -0.805 1.456 163 HB3 LEU 28 2HB LEU 28 -4.609 0.215 0.081 164 HG LEU 28 HG LEU 28 -2.135 0.539 -0.287 165 HD11 LEU 28 1HD1 LEU 28 -0.999 -1.678 0.768 166 HD12 LEU 28 2HD1 LEU 28 -2.090 -1.212 2.072 167 HD13 LEU 28 3HD1 LEU 28 -0.886 -0.068 1.478 168 HD21 LEU 28 3HD2 LEU 28 -3.860 -1.546 -1.024 169 HD22 LEU 28 1HD2 LEU 28 -2.313 -2.303 -0.644 170 HD23 LEU 28 2HD2 LEU 28 -2.392 -1.017 -1.849 171 H ARG 29 H ARG 29 -4.059 2.854 -0.204 172 HA ARG 29 HA ARG 29 -1.410 3.450 -0.793 173 HB2 ARG 29 1HB ARG 29 -3.770 5.299 -1.171 174 HB3 ARG 29 2HB ARG 29 -2.255 5.331 -2.063 175 HG2 ARG 29 1HG ARG 29 -4.044 2.927 -2.097 176 HG3 ARG 29 2HG ARG 29 -4.288 4.287 -3.195 177 HD2 ARG 29 1HD ARG 29 -1.787 2.621 -2.939 178 HD3 ARG 29 2HD ARG 29 -2.957 2.547 -4.255 179 HE ARG 29 HE ARG 29 -2.200 5.127 -4.298 180 HH11 ARG 29 1HH1 ARG 29 -0.396 2.150 -4.221 181 HH12 ARG 29 2HH1 ARG 29 0.954 2.793 -5.096 182 HH21 ARG 29 1HH2 ARG 29 -0.428 5.985 -5.451 183 HH22 ARG 29 2HH2 ARG 29 0.935 4.975 -5.794 184 H ILE 30 H ILE 30 -3.641 5.024 1.443 185 HA ILE 30 HA ILE 30 -1.992 7.228 2.078 186 HB ILE 30 HB ILE 30 -4.157 5.909 3.719 187 HG12 ILE 30 1HG1 ILE 30 -4.335 8.486 2.169 188 HG13 ILE 30 2HG1 ILE 30 -4.697 6.933 1.423 189 HG21 ILE 30 1HG2 ILE 30 -2.487 7.302 5.001 190 HG22 ILE 30 2HG2 ILE 30 -3.059 8.686 4.071 191 HG23 ILE 30 3HG2 ILE 30 -4.171 7.812 5.125 192 HD11 ILE 30 3HD1 ILE 30 -6.107 7.155 3.897 193 HD12 ILE 30 1HD1 ILE 30 -6.411 8.581 2.905 194 HD13 ILE 30 2HD1 ILE 30 -6.739 6.972 2.261 195 H HIS 31 H HIS 31 -2.248 3.973 3.388 196 HA HIS 31 HA HIS 31 -0.551 4.444 5.633 197 HB2 HIS 31 1HB HIS 31 -1.885 2.598 5.993 198 HB3 HIS 31 2HB HIS 31 -1.751 2.043 4.327 199 HD1 HIS 31 HD1 HIS 31 0.291 2.164 7.514 200 HD2 HIS 31 HD2 HIS 31 0.112 0.090 3.919 201 HE1 HIS 31 HE1 HIS 31 1.964 0.298 7.730 202 H GLN 32 H GLN 32 -0.057 2.909 2.464 203 HA GLN 32 HA GLN 32 2.490 2.018 2.614 204 HB2 GLN 32 1HB GLN 32 1.141 3.510 0.370 205 HB3 GLN 32 2HB GLN 32 2.740 2.799 0.196 206 HG2 GLN 32 1HG GLN 32 1.634 0.617 0.965 207 HG3 GLN 32 2HG GLN 32 0.111 1.430 0.606 208 HE21 GLN 32 1HE2 GLN 32 -0.052 2.379 -1.594 209 HE22 GLN 32 2HE2 GLN 32 0.639 1.490 -2.904 210 H ARG 33 H ARG 33 1.480 5.377 2.421 211 HA ARG 33 HA ARG 33 3.763 6.712 1.796 212 HB2 ARG 33 1HB ARG 33 1.800 7.404 3.988 213 HB3 ARG 33 2HB ARG 33 2.992 8.517 3.331 214 HG2 ARG 33 1HG ARG 33 1.942 8.364 1.138 215 HG3 ARG 33 2HG ARG 33 0.757 7.225 1.780 216 HD2 ARG 33 1HD ARG 33 -0.137 8.897 3.252 217 HD3 ARG 33 2HD ARG 33 1.147 10.027 2.820 218 HE ARG 33 HE ARG 33 -1.260 9.514 1.361 219 HH11 ARG 33 1HH1 ARG 33 2.064 10.508 1.074 220 HH12 ARG 33 2HH1 ARG 33 1.808 11.398 -0.390 221 HH21 ARG 33 1HH2 ARG 33 -1.610 10.683 -0.567 222 HH22 ARG 33 2HH2 ARG 33 -0.283 11.497 -1.322 223 H VAL 34 H VAL 34 2.959 5.305 4.945 224 HA VAL 34 HA VAL 34 5.130 6.252 6.410 225 HB VAL 34 HB VAL 34 4.688 4.569 8.006 226 HG11 VAL 34 1HG1 VAL 34 1.959 4.658 6.860 227 HG12 VAL 34 2HG1 VAL 34 2.522 5.052 8.485 228 HG13 VAL 34 3HG1 VAL 34 2.751 6.202 7.168 229 HG21 VAL 34 3HG2 VAL 34 3.148 2.611 7.326 230 HG22 VAL 34 1HG2 VAL 34 3.636 3.006 5.677 231 HG23 VAL 34 2HG2 VAL 34 4.850 2.545 6.870 232 H HIS 35 H HIS 35 4.874 3.503 4.230 233 HA HIS 35 HA HIS 35 7.414 2.384 4.873 234 HB2 HIS 35 1HB HIS 35 5.517 2.015 2.561 235 HB3 HIS 35 2HB HIS 35 7.070 1.187 2.633 236 HD1 HIS 35 HD1 HIS 35 7.387 -0.410 4.796 237 HD2 HIS 35 HD2 HIS 35 3.504 0.768 3.904 238 HE1 HIS 35 HE1 HIS 35 5.897 -2.009 6.039 239 H MET 36 H MET 36 6.278 4.754 2.550 240 HA MET 36 HA MET 36 8.541 4.848 0.894 241 HB2 MET 36 1HB MET 36 6.420 6.870 1.577 242 HB3 MET 36 2HB MET 36 7.737 7.255 0.476 243 HG2 MET 36 1HG MET 36 6.999 5.122 -0.777 244 HG3 MET 36 2HG MET 36 5.503 5.304 0.135 245 HE1 MET 36 3HE MET 36 4.854 9.106 -0.723 246 HE2 MET 36 1HE MET 36 3.709 7.777 -0.545 247 HE3 MET 36 2HE MET 36 5.037 7.955 0.602 248 H GLY 37 H GLY 37 10.501 4.927 1.885 249 HA2 GLY 37 1HA GLY 37 10.968 7.165 3.754 250 HA3 GLY 37 2HA GLY 37 11.866 5.655 3.774 251 H GLU 38 H GLU 38 11.097 8.292 1.497 252 HA GLU 38 HA GLU 38 13.570 7.905 0.077 253 HB2 GLU 38 1HB GLU 38 12.847 9.879 -1.232 254 HB3 GLU 38 2HB GLU 38 11.620 8.622 -1.160 255 HG2 GLU 38 1HG GLU 38 10.300 9.845 0.347 256 HG3 GLU 38 2HG GLU 38 11.612 10.964 0.712 257 H LYS 39 H LYS 39 15.175 9.594 -0.213 258 HA LYS 39 HA LYS 39 15.659 11.027 2.299 259 HB2 LYS 39 1HB LYS 39 17.485 10.175 0.054 260 HB3 LYS 39 2HB LYS 39 18.003 11.261 1.337 261 HG2 LYS 39 1HG LYS 39 17.171 9.378 2.916 262 HG3 LYS 39 2HG LYS 39 17.308 8.361 1.479 263 HD2 LYS 39 1HD LYS 39 19.375 8.163 2.597 264 HD3 LYS 39 2HD LYS 39 19.671 9.261 1.247 265 HE2 LYS 39 1HE LYS 39 19.509 11.171 2.726 266 HE3 LYS 39 2HE LYS 39 19.096 10.121 4.080 267 HZ1 LYS 39 3HZ LYS 39 21.243 9.887 4.493 268 HZ2 LYS 39 1HZ LYS 39 21.639 10.869 3.173 269 HZ3 LYS 39 2HZ LYS 39 21.485 9.197 2.967 270 H CYS 40 H CYS 40 15.565 13.177 2.411 271 HA CYS 40 HA CYS 40 15.174 14.670 -0.085 272 HB2 CYS 40 1HB CYS 40 14.215 16.436 1.358 273 HB3 CYS 40 2HB CYS 40 13.369 14.902 1.526 274 HG CYS 40 HG CYS 40 14.979 16.697 3.815 275 H SER 41 H SER 41 16.277 16.626 -0.465 276 HA SER 41 HA SER 41 18.995 16.631 0.096 277 HB2 SER 41 1HB SER 41 18.947 19.012 -0.708 278 HB3 SER 41 2HB SER 41 18.149 17.869 -1.789 279 HG SER 41 HG SER 41 16.183 18.534 -0.486 280 H GLY 42 H GLY 42 16.384 18.469 1.650 281 HA2 GLY 42 1HA GLY 42 16.413 18.845 4.026 282 HA3 GLY 42 2HA GLY 42 18.170 18.857 3.960 283 HA PRO 43 HA PRO 43 16.528 23.098 2.233 284 HB2 PRO 43 1HB PRO 43 14.004 23.732 3.005 285 HB3 PRO 43 2HB PRO 43 14.363 22.890 1.493 286 HG2 PRO 43 1HG PRO 43 13.437 21.771 4.111 287 HG3 PRO 43 2HG PRO 43 12.903 21.366 2.470 288 HD2 PRO 43 1HD PRO 43 14.655 19.832 3.852 289 HD3 PRO 43 2HD PRO 43 14.713 19.991 2.085 290 H SER 44 H SER 44 17.342 24.725 3.392 291 HA SER 44 HA SER 44 16.990 24.682 6.306 292 HB2 SER 44 1HB SER 44 19.042 26.145 4.627 293 HB3 SER 44 2HB SER 44 18.986 26.118 6.389 294 HG SER 44 HG SER 44 20.357 24.511 5.047 295 H SER 45 H SER 45 14.825 25.610 4.850 296 HA SER 45 HA SER 45 14.953 28.531 5.203 297 HB2 SER 45 1HB SER 45 13.058 26.857 3.537 298 HB3 SER 45 2HB SER 45 12.954 28.608 3.722 299 HG SER 45 HG SER 45 15.208 27.220 2.694 300 H GLY 46 H GLY 46 14.693 26.967 7.478 301 HA2 GLY 46 1HA GLY 46 11.857 26.897 8.160 302 HA3 GLY 46 2HA GLY 46 13.182 26.313 9.155 Start of MODEL 7 1 H1 GLY 1 H GLY 1 6.796 -26.592 14.502 2 HA2 GLY 1 1HA GLY 1 4.787 -24.552 15.001 3 HA3 GLY 1 2HA GLY 1 6.003 -24.532 13.733 4 H SER 2 H SER 2 3.054 -24.055 13.700 5 HA SER 2 HA SER 2 2.370 -26.061 11.651 6 HB2 SER 2 1HB SER 2 -0.004 -25.747 12.278 7 HB3 SER 2 2HB SER 2 0.958 -26.358 13.624 8 HG SER 2 HG SER 2 0.255 -23.638 13.211 9 H SER 3 H SER 3 2.956 -24.930 9.853 10 HA SER 3 HA SER 3 2.014 -22.187 9.520 11 HB2 SER 3 1HB SER 3 3.508 -22.026 7.678 12 HB3 SER 3 2HB SER 3 4.377 -22.936 8.914 13 HG SER 3 HG SER 3 4.638 -24.299 7.323 14 H GLY 4 H GLY 4 0.287 -21.653 8.345 15 HA2 GLY 4 1HA GLY 4 -0.668 -22.452 6.001 16 HA3 GLY 4 2HA GLY 4 -1.194 -23.786 7.016 17 H SER 5 H SER 5 -3.182 -23.622 7.786 18 HA SER 5 HA SER 5 -5.277 -22.696 8.060 19 HB2 SER 5 1HB SER 5 -3.517 -21.030 9.871 20 HB3 SER 5 2HB SER 5 -5.278 -21.049 9.956 21 HG SER 5 HG SER 5 -4.145 -22.527 11.410 22 H SER 6 H SER 6 -4.185 -21.713 5.709 23 HA SER 6 HA SER 6 -4.930 -18.864 5.750 24 HB2 SER 6 1HB SER 6 -3.638 -18.659 3.654 25 HB3 SER 6 2HB SER 6 -2.639 -19.254 4.980 26 HG SER 6 HG SER 6 -3.491 -21.415 3.966 27 H GLY 7 H GLY 7 -7.134 -19.036 5.487 28 HA2 GLY 7 1HA GLY 7 -8.405 -20.780 3.659 29 HA3 GLY 7 2HA GLY 7 -9.130 -19.360 4.399 30 H SER 8 H SER 8 -9.987 -19.751 1.978 31 HA SER 8 HA SER 8 -8.450 -18.873 -0.185 32 HB2 SER 8 1HB SER 8 -10.651 -20.011 -0.388 33 HB3 SER 8 2HB SER 8 -11.437 -18.540 0.185 34 HG SER 8 HG SER 8 -10.504 -17.470 -1.646 35 H GLY 9 H GLY 9 -8.648 -16.844 -1.388 36 HA2 GLY 9 1HA GLY 9 -8.123 -14.604 0.270 37 HA3 GLY 9 2HA GLY 9 -8.307 -14.573 -1.477 38 H GLU 10 H GLU 10 -9.243 -12.579 0.332 39 HA GLU 10 HA GLU 10 -12.088 -12.671 -0.350 40 HB2 GLU 10 1HB GLU 10 -11.952 -13.392 1.984 41 HB3 GLU 10 2HB GLU 10 -11.021 -11.956 2.386 42 HG2 GLU 10 1HG GLU 10 -13.170 -11.452 3.098 43 HG3 GLU 10 2HG GLU 10 -13.037 -10.633 1.543 44 H LYS 11 H LYS 11 -13.009 -10.687 -0.797 45 HA LYS 11 HA LYS 11 -11.463 -8.700 -1.900 46 HB2 LYS 11 1HB LYS 11 -13.812 -8.824 -2.384 47 HB3 LYS 11 2HB LYS 11 -14.230 -8.534 -0.701 48 HG2 LYS 11 1HG LYS 11 -14.633 -6.504 -1.781 49 HG3 LYS 11 2HG LYS 11 -13.080 -6.279 -0.972 50 HD2 LYS 11 1HD LYS 11 -12.647 -5.420 -3.071 51 HD3 LYS 11 2HD LYS 11 -12.093 -7.087 -3.245 52 HE2 LYS 11 1HE LYS 11 -13.360 -6.865 -5.142 53 HE3 LYS 11 2HE LYS 11 -14.568 -7.491 -4.021 54 HZ1 LYS 11 3HZ LYS 11 -15.071 -5.043 -3.572 55 HZ2 LYS 11 1HZ LYS 11 -15.608 -5.699 -5.036 56 HZ3 LYS 11 2HZ LYS 11 -14.224 -4.728 -5.001 57 H SER 12 H SER 12 -9.787 -7.878 -0.749 58 HA SER 12 HA SER 12 -10.270 -5.810 1.098 59 HB2 SER 12 1HB SER 12 -9.303 -6.787 3.131 60 HB3 SER 12 2HB SER 12 -10.746 -7.673 2.641 61 HG SER 12 HG SER 12 -9.523 -9.368 2.628 62 H HIS 13 H HIS 13 -8.747 -4.453 0.445 63 HA HIS 13 HA HIS 13 -6.344 -5.254 -0.818 64 HB2 HIS 13 1HB HIS 13 -6.848 -2.549 0.420 65 HB3 HIS 13 2HB HIS 13 -5.811 -2.937 -0.950 66 HD1 HIS 13 HD1 HIS 13 -6.947 -3.254 -3.245 67 HD2 HIS 13 HD2 HIS 13 -9.577 -2.306 -0.171 68 HE1 HIS 13 HE1 HIS 13 -9.112 -2.650 -4.374 69 H THR 14 H THR 14 -4.819 -6.336 0.256 70 HA THR 14 HA THR 14 -4.132 -5.488 2.986 71 HB THR 14 HB THR 14 -3.493 -8.071 1.547 72 HG1 THR 14 HG1 THR 14 -5.486 -7.248 3.326 73 HG21 THR 14 3HG2 THR 14 -2.288 -8.785 3.373 74 HG22 THR 14 1HG2 THR 14 -3.086 -7.663 4.475 75 HG23 THR 14 2HG2 THR 14 -1.860 -7.074 3.352 76 H CYS 15 H CYS 15 -2.190 -4.637 3.447 77 HA CYS 15 HA CYS 15 -0.462 -3.854 1.310 78 HB2 CYS 15 1HB CYS 15 -0.898 -2.503 3.387 79 HB3 CYS 15 2HB CYS 15 0.075 -3.668 4.279 80 H ASP 16 H ASP 16 0.984 -5.130 0.385 81 HA ASP 16 HA ASP 16 1.871 -7.569 1.587 82 HB2 ASP 16 1HB ASP 16 2.304 -6.171 -1.004 83 HB3 ASP 16 2HB ASP 16 3.510 -7.358 -0.515 84 H GLU 17 H GLU 17 2.934 -4.339 1.697 85 HA GLU 17 HA GLU 17 5.717 -4.758 2.032 86 HB2 GLU 17 1HB GLU 17 4.024 -2.484 3.080 87 HB3 GLU 17 2HB GLU 17 5.771 -2.477 2.889 88 HG2 GLU 17 1HG GLU 17 4.056 -3.007 0.514 89 HG3 GLU 17 2HG GLU 17 4.224 -1.356 1.110 90 H CYS 18 H CYS 18 3.029 -4.446 4.320 91 HA CYS 18 HA CYS 18 4.805 -5.510 6.418 92 HB2 CYS 18 1HB CYS 18 3.523 -4.235 8.067 93 HB3 CYS 18 2HB CYS 18 4.216 -3.162 6.855 94 H GLY 19 H GLY 19 1.497 -5.368 5.166 95 HA2 GLY 19 1HA GLY 19 0.356 -7.534 4.926 96 HA3 GLY 19 2HA GLY 19 0.992 -7.951 6.510 97 H LYS 20 H LYS 20 -0.283 -4.782 5.776 98 HA LYS 20 HA LYS 20 -2.233 -5.064 7.888 99 HB2 LYS 20 1HB LYS 20 -1.235 -2.817 6.188 100 HB3 LYS 20 2HB LYS 20 -2.784 -2.638 7.002 101 HG2 LYS 20 1HG LYS 20 -0.437 -3.538 8.591 102 HG3 LYS 20 2HG LYS 20 -0.553 -1.840 8.125 103 HD2 LYS 20 1HD LYS 20 -2.883 -1.856 9.092 104 HD3 LYS 20 2HD LYS 20 -2.510 -3.449 9.754 105 HE2 LYS 20 1HE LYS 20 -0.914 -0.949 10.296 106 HE3 LYS 20 2HE LYS 20 -2.165 -1.586 11.363 107 HZ1 LYS 20 3HZ LYS 20 -0.891 -3.454 11.859 108 HZ2 LYS 20 1HZ LYS 20 0.239 -2.195 11.863 109 HZ3 LYS 20 2HZ LYS 20 0.141 -3.239 10.536 110 H ASN 21 H ASN 21 -4.462 -3.961 7.377 111 HA ASN 21 HA ASN 21 -5.478 -5.031 4.830 112 HB2 ASN 21 1HB ASN 21 -6.002 -6.334 7.059 113 HB3 ASN 21 2HB ASN 21 -7.201 -5.063 7.277 114 HD21 ASN 21 1HD2 ASN 21 -6.711 -8.076 6.088 115 HD22 ASN 21 2HD2 ASN 21 -8.013 -8.158 4.955 116 H PHE 22 H PHE 22 -6.980 -3.811 3.767 117 HA PHE 22 HA PHE 22 -8.136 -1.480 5.068 118 HB2 PHE 22 1HB PHE 22 -6.529 -1.169 2.527 119 HB3 PHE 22 2HB PHE 22 -7.310 0.107 3.455 120 HD1 PHE 22 HD2 PHE 22 -4.470 -2.193 3.299 121 HD2 PHE 22 HD1 PHE 22 -6.325 0.956 5.480 122 HE1 PHE 22 HE2 PHE 22 -2.396 -1.865 4.581 123 HE2 PHE 22 HE1 PHE 22 -4.254 1.290 6.766 124 HZ PHE 22 HZ PHE 22 -2.286 -0.122 6.318 125 H CYS 23 H CYS 23 -10.225 -1.738 4.648 126 HA CYS 23 HA CYS 23 -11.362 -3.285 2.661 127 HB2 CYS 23 1HB CYS 23 -12.430 -0.921 4.194 128 HB3 CYS 23 2HB CYS 23 -13.423 -1.810 3.047 129 HG CYS 23 HG CYS 23 -12.076 -4.029 4.990 130 H TYR 24 H TYR 24 -10.598 0.170 2.612 131 HA TYR 24 HA TYR 24 -11.313 0.244 -0.239 132 HB2 TYR 24 1HB TYR 24 -10.960 2.832 0.310 133 HB3 TYR 24 2HB TYR 24 -12.487 2.010 0.613 134 HD1 TYR 24 HD2 TYR 24 -12.659 0.891 3.015 135 HD2 TYR 24 HD1 TYR 24 -10.046 4.096 2.012 136 HE1 TYR 24 HE2 TYR 24 -12.532 1.523 5.388 137 HE2 TYR 24 HE1 TYR 24 -9.911 4.736 4.383 138 HH TYR 24 HH TYR 24 -10.507 4.237 6.462 139 H ILE 25 H ILE 25 -9.706 0.160 -1.648 140 HA ILE 25 HA ILE 25 -7.042 -0.051 -1.147 141 HB ILE 25 HB ILE 25 -8.175 -0.375 -3.370 142 HG12 ILE 25 1HG1 ILE 25 -6.129 0.622 -4.656 143 HG13 ILE 25 2HG1 ILE 25 -5.550 1.042 -3.048 144 HG21 ILE 25 1HG2 ILE 25 -7.763 2.603 -3.597 145 HG22 ILE 25 2HG2 ILE 25 -8.298 1.530 -4.889 146 HG23 ILE 25 3HG2 ILE 25 -9.318 1.782 -3.473 147 HD11 ILE 25 3HD1 ILE 25 -4.556 -0.990 -3.372 148 HD12 ILE 25 1HD1 ILE 25 -6.034 -1.470 -2.540 149 HD13 ILE 25 2HD1 ILE 25 -5.916 -1.633 -4.292 150 H SER 26 H SER 26 -8.843 2.947 -1.687 151 HA SER 26 HA SER 26 -6.860 4.804 -1.885 152 HB2 SER 26 1HB SER 26 -9.570 4.848 -0.637 153 HB3 SER 26 2HB SER 26 -8.504 6.223 -0.346 154 HG SER 26 HG SER 26 -9.717 5.371 -2.699 155 H ALA 27 H ALA 27 -8.085 3.356 1.111 156 HA ALA 27 HA ALA 27 -6.523 4.837 2.906 157 HB1 ALA 27 3HB ALA 27 -7.715 3.681 4.375 158 HB2 ALA 27 1HB ALA 27 -8.365 2.711 3.053 159 HB3 ALA 27 2HB ALA 27 -6.909 2.187 3.900 160 H LEU 28 H LEU 28 -5.934 1.613 1.505 161 HA LEU 28 HA LEU 28 -3.528 1.017 2.688 162 HB2 LEU 28 1HB LEU 28 -4.371 -0.695 1.411 163 HB3 LEU 28 2HB LEU 28 -4.742 0.362 0.050 164 HG LEU 28 HG LEU 28 -2.244 0.492 -0.356 165 HD11 LEU 28 1HD1 LEU 28 -1.526 -1.991 0.744 166 HD12 LEU 28 2HD1 LEU 28 -2.247 -1.053 2.052 167 HD13 LEU 28 3HD1 LEU 28 -0.882 -0.399 1.147 168 HD21 LEU 28 3HD2 LEU 28 -3.147 -0.807 -1.961 169 HD22 LEU 28 1HD2 LEU 28 -4.049 -1.792 -0.809 170 HD23 LEU 28 2HD2 LEU 28 -2.334 -2.102 -1.080 171 H ARG 29 H ARG 29 -4.058 2.902 -0.276 172 HA ARG 29 HA ARG 29 -1.404 3.363 -0.958 173 HB2 ARG 29 1HB ARG 29 -3.675 5.326 -1.301 174 HB3 ARG 29 2HB ARG 29 -2.198 5.241 -2.252 175 HG2 ARG 29 1HG ARG 29 -4.271 3.061 -2.149 176 HG3 ARG 29 2HG ARG 29 -4.199 4.316 -3.389 177 HD2 ARG 29 1HD ARG 29 -2.040 2.300 -2.776 178 HD3 ARG 29 2HD ARG 29 -3.144 2.247 -4.150 179 HE ARG 29 HE ARG 29 -1.576 4.661 -3.958 180 HH11 ARG 29 1HH1 ARG 29 -1.764 1.423 -5.222 181 HH12 ARG 29 2HH1 ARG 29 -0.637 1.719 -6.504 182 HH21 ARG 29 1HH2 ARG 29 -0.091 5.063 -5.642 183 HH22 ARG 29 2HH2 ARG 29 0.315 3.789 -6.742 184 H ILE 30 H ILE 30 -3.519 5.180 1.227 185 HA ILE 30 HA ILE 30 -1.711 7.265 1.793 186 HB ILE 30 HB ILE 30 -3.936 6.159 3.511 187 HG12 ILE 30 1HG1 ILE 30 -4.051 8.695 1.912 188 HG13 ILE 30 2HG1 ILE 30 -4.366 7.151 1.128 189 HG21 ILE 30 1HG2 ILE 30 -2.774 8.916 3.708 190 HG22 ILE 30 2HG2 ILE 30 -3.786 8.055 4.865 191 HG23 ILE 30 3HG2 ILE 30 -2.108 7.568 4.629 192 HD11 ILE 30 3HD1 ILE 30 -6.471 7.910 1.719 193 HD12 ILE 30 1HD1 ILE 30 -6.068 6.783 3.014 194 HD13 ILE 30 2HD1 ILE 30 -5.922 8.521 3.280 195 H HIS 31 H HIS 31 -2.281 4.138 3.344 196 HA HIS 31 HA HIS 31 -0.524 4.544 5.526 197 HB2 HIS 31 1HB HIS 31 -1.962 2.792 5.932 198 HB3 HIS 31 2HB HIS 31 -1.864 2.188 4.280 199 HD1 HIS 31 HD1 HIS 31 0.104 2.203 7.505 200 HD2 HIS 31 HD2 HIS 31 -0.047 0.171 3.885 201 HE1 HIS 31 HE1 HIS 31 1.677 0.257 7.760 202 H GLN 32 H GLN 32 -0.100 2.936 2.387 203 HA GLN 32 HA GLN 32 2.386 1.880 2.586 204 HB2 GLN 32 1HB GLN 32 1.065 3.342 0.319 205 HB3 GLN 32 2HB GLN 32 2.689 2.691 0.142 206 HG2 GLN 32 1HG GLN 32 1.660 0.476 0.942 207 HG3 GLN 32 2HG GLN 32 0.114 1.230 0.556 208 HE21 GLN 32 1HE2 GLN 32 -0.071 2.130 -1.657 209 HE22 GLN 32 2HE2 GLN 32 0.670 1.254 -2.948 210 H ARG 33 H ARG 33 1.579 5.285 2.365 211 HA ARG 33 HA ARG 33 3.908 6.500 1.698 212 HB2 ARG 33 1HB ARG 33 2.097 7.292 3.987 213 HB3 ARG 33 2HB ARG 33 3.279 8.343 3.219 214 HG2 ARG 33 1HG ARG 33 2.057 8.120 1.092 215 HG3 ARG 33 2HG ARG 33 0.845 7.139 1.920 216 HD2 ARG 33 1HD ARG 33 -0.134 9.218 1.999 217 HD3 ARG 33 2HD ARG 33 0.723 9.184 3.540 218 HE ARG 33 HE ARG 33 2.218 10.334 1.356 219 HH11 ARG 33 1HH1 ARG 33 -0.000 10.923 3.973 220 HH12 ARG 33 2HH1 ARG 33 0.404 12.602 4.111 221 HH21 ARG 33 1HH2 ARG 33 2.758 12.543 1.527 222 HH22 ARG 33 2HH2 ARG 33 1.972 13.523 2.718 223 H VAL 34 H VAL 34 3.140 5.053 4.832 224 HA VAL 34 HA VAL 34 5.394 5.885 6.252 225 HB VAL 34 HB VAL 34 4.946 4.141 7.812 226 HG11 VAL 34 1HG1 VAL 34 2.732 4.604 8.378 227 HG12 VAL 34 2HG1 VAL 34 3.212 5.997 7.406 228 HG13 VAL 34 3HG1 VAL 34 2.225 4.720 6.693 229 HG21 VAL 34 3HG2 VAL 34 4.821 2.151 6.656 230 HG22 VAL 34 1HG2 VAL 34 3.132 2.401 7.096 231 HG23 VAL 34 2HG2 VAL 34 3.685 2.789 5.467 232 H HIS 35 H HIS 35 4.933 3.165 4.062 233 HA HIS 35 HA HIS 35 7.448 1.940 4.600 234 HB2 HIS 35 1HB HIS 35 5.450 1.655 2.361 235 HB3 HIS 35 2HB HIS 35 6.964 0.756 2.384 236 HD1 HIS 35 HD1 HIS 35 7.279 -0.858 4.531 237 HD2 HIS 35 HD2 HIS 35 3.429 0.515 3.786 238 HE1 HIS 35 HE1 HIS 35 5.759 -2.380 5.834 239 H MET 36 H MET 36 6.707 4.808 3.129 240 HA MET 36 HA MET 36 8.857 4.677 1.156 241 HB2 MET 36 1HB MET 36 6.898 6.896 1.771 242 HB3 MET 36 2HB MET 36 8.064 6.901 0.455 243 HG2 MET 36 1HG MET 36 6.084 4.683 0.659 244 HG3 MET 36 2HG MET 36 5.585 6.248 0.021 245 HE1 MET 36 3HE MET 36 5.937 5.813 -3.397 246 HE2 MET 36 1HE MET 36 5.271 4.332 -2.709 247 HE3 MET 36 2HE MET 36 4.912 5.890 -1.963 248 H GLY 37 H GLY 37 9.345 4.636 4.078 249 HA2 GLY 37 1HA GLY 37 10.898 5.504 5.528 250 HA3 GLY 37 2HA GLY 37 11.578 6.352 4.148 251 H GLU 38 H GLU 38 11.428 7.381 6.789 252 HA GLU 38 HA GLU 38 9.425 9.518 6.484 253 HB2 GLU 38 1HB GLU 38 9.525 7.936 8.575 254 HB3 GLU 38 2HB GLU 38 10.851 8.983 9.061 255 HG2 GLU 38 1HG GLU 38 8.023 9.834 8.485 256 HG3 GLU 38 2HG GLU 38 8.782 9.710 10.071 257 H LYS 39 H LYS 39 11.303 10.153 4.900 258 HA LYS 39 HA LYS 39 13.745 11.073 5.482 259 HB2 LYS 39 1HB LYS 39 11.632 12.594 3.944 260 HB3 LYS 39 2HB LYS 39 13.351 12.965 3.904 261 HG2 LYS 39 1HG LYS 39 12.359 10.235 3.186 262 HG3 LYS 39 2HG LYS 39 12.339 11.552 2.010 263 HD2 LYS 39 1HD LYS 39 14.742 11.864 2.308 264 HD3 LYS 39 2HD LYS 39 14.769 10.573 3.512 265 HE2 LYS 39 1HE LYS 39 13.847 9.057 1.708 266 HE3 LYS 39 2HE LYS 39 14.192 10.355 0.566 267 HZ1 LYS 39 3HZ LYS 39 16.029 8.590 1.982 268 HZ2 LYS 39 1HZ LYS 39 16.532 10.191 1.764 269 HZ3 LYS 39 2HZ LYS 39 16.136 9.239 0.423 270 H CYS 40 H CYS 40 14.650 12.339 6.958 271 HA CYS 40 HA CYS 40 12.985 14.401 8.247 272 HB2 CYS 40 1HB CYS 40 13.545 12.485 9.738 273 HB3 CYS 40 2HB CYS 40 15.252 12.849 9.512 274 HG CYS 40 HG CYS 40 14.680 15.588 10.525 275 H SER 41 H SER 41 13.637 16.096 6.950 276 HA SER 41 HA SER 41 16.479 16.843 7.181 277 HB2 SER 41 1HB SER 41 16.218 17.997 4.979 278 HB3 SER 41 2HB SER 41 16.032 16.246 4.878 279 HG SER 41 HG SER 41 14.406 17.737 3.812 280 H GLY 42 H GLY 42 16.089 18.099 9.029 281 HA2 GLY 42 1HA GLY 42 15.982 20.658 9.143 282 HA3 GLY 42 2HA GLY 42 14.312 20.420 8.650 283 HA PRO 43 HA PRO 43 15.098 19.887 13.378 284 HB2 PRO 43 1HB PRO 43 14.887 22.447 14.255 285 HB3 PRO 43 2HB PRO 43 16.432 21.700 13.835 286 HG2 PRO 43 1HG PRO 43 14.714 23.538 12.214 287 HG3 PRO 43 2HG PRO 43 16.475 23.545 12.420 288 HD2 PRO 43 1HD PRO 43 15.269 22.505 10.230 289 HD3 PRO 43 2HD PRO 43 16.787 21.857 10.881 290 H SER 44 H SER 44 12.860 20.920 11.196 291 HA SER 44 HA SER 44 10.764 22.131 12.309 292 HB2 SER 44 1HB SER 44 10.666 21.125 10.077 293 HB3 SER 44 2HB SER 44 10.584 19.515 10.793 294 HG SER 44 HG SER 44 8.580 21.119 10.240 295 H SER 45 H SER 45 11.117 18.595 12.644 296 HA SER 45 HA SER 45 9.232 18.507 14.803 297 HB2 SER 45 1HB SER 45 9.684 16.122 14.854 298 HB3 SER 45 2HB SER 45 9.527 16.642 13.176 299 HG SER 45 HG SER 45 12.081 16.682 14.278 300 H GLY 46 H GLY 46 9.611 18.108 16.975 301 HA2 GLY 46 1HA GLY 46 11.712 19.362 18.225 302 HA3 GLY 46 2HA GLY 46 10.762 18.083 18.966 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.465 -18.987 -8.000 2 HA2 GLY 1 1HA GLY 1 12.867 -20.367 -6.294 3 HA3 GLY 1 2HA GLY 1 14.620 -20.404 -6.182 4 H SER 2 H SER 2 12.279 -17.819 -5.485 5 HA SER 2 HA SER 2 13.170 -17.873 -2.683 6 HB2 SER 2 1HB SER 2 13.116 -15.379 -2.684 7 HB3 SER 2 2HB SER 2 14.361 -16.044 -3.742 8 HG SER 2 HG SER 2 11.967 -14.746 -4.395 9 H SER 3 H SER 3 11.630 -17.394 -1.153 10 HA SER 3 HA SER 3 8.990 -18.024 -1.648 11 HB2 SER 3 1HB SER 3 9.881 -18.059 0.604 12 HB3 SER 3 2HB SER 3 10.147 -16.316 0.567 13 HG SER 3 HG SER 3 8.242 -16.603 1.618 14 H GLY 4 H GLY 4 7.072 -16.813 -1.821 15 HA2 GLY 4 1HA GLY 4 7.405 -13.964 -2.487 16 HA3 GLY 4 2HA GLY 4 6.580 -15.031 -3.613 17 H SER 5 H SER 5 4.748 -13.611 -3.387 18 HA SER 5 HA SER 5 3.313 -13.927 -0.837 19 HB2 SER 5 1HB SER 5 3.404 -11.748 -2.870 20 HB3 SER 5 2HB SER 5 1.886 -12.006 -2.010 21 HG SER 5 HG SER 5 2.842 -10.781 -0.575 22 H SER 6 H SER 6 2.574 -16.035 -1.414 23 HA SER 6 HA SER 6 0.281 -15.954 -3.249 24 HB2 SER 6 1HB SER 6 2.606 -17.822 -3.294 25 HB3 SER 6 2HB SER 6 1.012 -18.484 -3.656 26 HG SER 6 HG SER 6 1.002 -16.422 -5.094 27 H GLY 7 H GLY 7 -1.004 -15.719 -1.350 28 HA2 GLY 7 1HA GLY 7 -1.958 -18.182 -0.314 29 HA3 GLY 7 2HA GLY 7 -0.968 -17.367 0.888 30 H SER 8 H SER 8 -1.558 -14.911 1.053 31 HA SER 8 HA SER 8 -3.943 -14.613 2.302 32 HB2 SER 8 1HB SER 8 -2.658 -12.450 0.619 33 HB3 SER 8 2HB SER 8 -3.734 -12.213 1.996 34 HG SER 8 HG SER 8 -1.943 -13.621 3.048 35 H GLY 9 H GLY 9 -6.038 -14.479 1.777 36 HA2 GLY 9 1HA GLY 9 -6.805 -13.742 -0.948 37 HA3 GLY 9 2HA GLY 9 -7.280 -15.337 -0.382 38 H GLU 10 H GLU 10 -7.648 -11.878 0.170 39 HA GLU 10 HA GLU 10 -10.256 -12.443 1.408 40 HB2 GLU 10 1HB GLU 10 -8.539 -11.745 3.099 41 HB3 GLU 10 2HB GLU 10 -8.408 -10.209 2.254 42 HG2 GLU 10 1HG GLU 10 -10.560 -9.554 2.857 43 HG3 GLU 10 2HG GLU 10 -11.043 -11.197 3.272 44 H LYS 11 H LYS 11 -11.839 -10.749 1.167 45 HA LYS 11 HA LYS 11 -11.661 -9.489 -1.427 46 HB2 LYS 11 1HB LYS 11 -13.808 -9.957 0.586 47 HB3 LYS 11 2HB LYS 11 -14.028 -8.637 -0.556 48 HG2 LYS 11 1HG LYS 11 -15.087 -10.462 -1.549 49 HG3 LYS 11 2HG LYS 11 -13.531 -10.351 -2.376 50 HD2 LYS 11 1HD LYS 11 -13.728 -12.081 0.038 51 HD3 LYS 11 2HD LYS 11 -14.456 -12.655 -1.465 52 HE2 LYS 11 1HE LYS 11 -11.646 -11.614 -1.405 53 HE3 LYS 11 2HE LYS 11 -12.005 -13.279 -0.952 54 HZ1 LYS 11 3HZ LYS 11 -12.944 -12.145 -3.514 55 HZ2 LYS 11 1HZ LYS 11 -12.766 -13.771 -3.082 56 HZ3 LYS 11 2HZ LYS 11 -11.399 -12.816 -3.363 57 H SER 12 H SER 12 -9.761 -8.396 0.220 58 HA SER 12 HA SER 12 -10.568 -5.622 0.222 59 HB2 SER 12 1HB SER 12 -9.944 -7.104 2.766 60 HB3 SER 12 2HB SER 12 -9.637 -5.373 2.627 61 HG SER 12 HG SER 12 -12.089 -6.757 2.519 62 H HIS 13 H HIS 13 -8.860 -4.231 -0.025 63 HA HIS 13 HA HIS 13 -6.474 -5.222 -1.093 64 HB2 HIS 13 1HB HIS 13 -6.724 -2.482 0.131 65 HB3 HIS 13 2HB HIS 13 -5.758 -2.975 -1.256 66 HD1 HIS 13 HD1 HIS 13 -6.975 -3.207 -3.528 67 HD2 HIS 13 HD2 HIS 13 -9.408 -1.920 -0.415 68 HE1 HIS 13 HE1 HIS 13 -9.080 -2.371 -4.621 69 H THR 14 H THR 14 -4.804 -6.147 -0.128 70 HA THR 14 HA THR 14 -4.278 -5.512 2.701 71 HB THR 14 HB THR 14 -3.551 -8.032 1.195 72 HG1 THR 14 HG1 THR 14 -5.549 -8.533 1.675 73 HG21 THR 14 3HG2 THR 14 -2.450 -6.931 3.535 74 HG22 THR 14 1HG2 THR 14 -2.216 -8.559 2.900 75 HG23 THR 14 2HG2 THR 14 -3.506 -8.242 4.060 76 H CYS 15 H CYS 15 -2.345 -4.709 3.267 77 HA CYS 15 HA CYS 15 -0.517 -3.891 1.221 78 HB2 CYS 15 1HB CYS 15 -1.047 -2.586 3.318 79 HB3 CYS 15 2HB CYS 15 -0.092 -3.766 4.209 80 H ASP 16 H ASP 16 0.808 -5.308 0.295 81 HA ASP 16 HA ASP 16 1.672 -7.713 1.551 82 HB2 ASP 16 1HB ASP 16 2.159 -6.360 -1.054 83 HB3 ASP 16 2HB ASP 16 3.339 -7.560 -0.534 84 H GLU 17 H GLU 17 2.722 -4.524 1.781 85 HA GLU 17 HA GLU 17 5.520 -4.961 2.095 86 HB2 GLU 17 1HB GLU 17 3.870 -2.678 3.186 87 HB3 GLU 17 2HB GLU 17 5.607 -2.689 2.916 88 HG2 GLU 17 1HG GLU 17 3.812 -3.204 0.606 89 HG3 GLU 17 2HG GLU 17 3.956 -1.557 1.216 90 H CYS 18 H CYS 18 2.791 -4.727 4.332 91 HA CYS 18 HA CYS 18 4.532 -5.824 6.439 92 HB2 CYS 18 1HB CYS 18 3.238 -4.531 8.096 93 HB3 CYS 18 2HB CYS 18 4.067 -3.486 6.948 94 H GLY 19 H GLY 19 1.255 -5.561 5.143 95 HA2 GLY 19 1HA GLY 19 0.100 -7.750 4.902 96 HA3 GLY 19 2HA GLY 19 0.598 -8.073 6.556 97 H LYS 20 H LYS 20 -0.281 -4.841 6.005 98 HA LYS 20 HA LYS 20 -2.478 -4.988 7.792 99 HB2 LYS 20 1HB LYS 20 -1.209 -2.863 6.135 100 HB3 LYS 20 2HB LYS 20 -2.838 -2.572 6.729 101 HG2 LYS 20 1HG LYS 20 -0.732 -3.490 8.629 102 HG3 LYS 20 2HG LYS 20 -0.766 -1.803 8.110 103 HD2 LYS 20 1HD LYS 20 -3.211 -1.792 8.783 104 HD3 LYS 20 2HD LYS 20 -2.906 -3.348 9.559 105 HE2 LYS 20 1HE LYS 20 -1.224 -0.935 10.158 106 HE3 LYS 20 2HE LYS 20 -2.750 -1.223 10.993 107 HZ1 LYS 20 3HZ LYS 20 -0.511 -3.170 10.903 108 HZ2 LYS 20 1HZ LYS 20 -1.923 -3.286 11.827 109 HZ3 LYS 20 2HZ LYS 20 -0.779 -2.091 12.178 110 H ASN 21 H ASN 21 -4.687 -4.269 7.302 111 HA ASN 21 HA ASN 21 -5.533 -5.066 4.594 112 HB2 ASN 21 1HB ASN 21 -6.837 -5.675 7.250 113 HB3 ASN 21 2HB ASN 21 -7.655 -5.885 5.705 114 HD21 ASN 21 1HD2 ASN 21 -7.516 -8.052 7.159 115 HD22 ASN 21 2HD2 ASN 21 -6.312 -9.151 6.584 116 H PHE 22 H PHE 22 -6.775 -3.660 3.523 117 HA PHE 22 HA PHE 22 -8.153 -1.551 5.032 118 HB2 PHE 22 1HB PHE 22 -6.603 -1.049 2.486 119 HB3 PHE 22 2HB PHE 22 -7.417 0.150 3.486 120 HD1 PHE 22 HD2 PHE 22 -4.505 -2.052 3.199 121 HD2 PHE 22 HD1 PHE 22 -6.430 0.950 5.523 122 HE1 PHE 22 HE2 PHE 22 -2.428 -1.711 4.473 123 HE2 PHE 22 HE1 PHE 22 -4.356 1.296 6.800 124 HZ PHE 22 HZ PHE 22 -2.352 -0.037 6.277 125 H CYS 23 H CYS 23 -10.245 -1.714 4.607 126 HA CYS 23 HA CYS 23 -11.420 -3.240 2.627 127 HB2 CYS 23 1HB CYS 23 -12.464 -0.838 4.129 128 HB3 CYS 23 2HB CYS 23 -13.468 -1.792 3.044 129 HG CYS 23 HG CYS 23 -13.209 -4.155 4.520 130 H TYR 24 H TYR 24 -10.474 0.153 2.549 131 HA TYR 24 HA TYR 24 -11.249 0.255 -0.291 132 HB2 TYR 24 1HB TYR 24 -10.879 2.838 0.247 133 HB3 TYR 24 2HB TYR 24 -12.409 2.031 0.569 134 HD1 TYR 24 HD2 TYR 24 -12.546 0.912 2.983 135 HD2 TYR 24 HD1 TYR 24 -9.961 4.123 1.928 136 HE1 TYR 24 HE2 TYR 24 -12.392 1.559 5.351 137 HE2 TYR 24 HE1 TYR 24 -9.799 4.778 4.293 138 HH TYR 24 HH TYR 24 -10.082 3.762 6.508 139 H ILE 25 H ILE 25 -9.724 0.542 -1.798 140 HA ILE 25 HA ILE 25 -7.035 0.140 -1.322 141 HB ILE 25 HB ILE 25 -8.261 0.035 -3.551 142 HG12 ILE 25 1HG1 ILE 25 -6.096 1.049 -4.731 143 HG13 ILE 25 2HG1 ILE 25 -5.507 1.071 -3.073 144 HG21 ILE 25 1HG2 ILE 25 -9.160 2.344 -3.415 145 HG22 ILE 25 2HG2 ILE 25 -7.524 2.955 -3.656 146 HG23 ILE 25 3HG2 ILE 25 -8.308 2.008 -4.921 147 HD11 ILE 25 3HD1 ILE 25 -5.771 -1.282 -2.870 148 HD12 ILE 25 1HD1 ILE 25 -6.625 -1.376 -4.410 149 HD13 ILE 25 2HD1 ILE 25 -4.910 -0.964 -4.376 150 H SER 26 H SER 26 -8.734 3.226 -1.788 151 HA SER 26 HA SER 26 -6.697 5.020 -1.807 152 HB2 SER 26 1HB SER 26 -8.846 5.939 -1.968 153 HB3 SER 26 2HB SER 26 -9.402 5.137 -0.499 154 HG SER 26 HG SER 26 -8.615 7.567 -0.642 155 H ALA 27 H ALA 27 -8.117 3.553 1.101 156 HA ALA 27 HA ALA 27 -6.574 4.873 3.010 157 HB1 ALA 27 3HB ALA 27 -8.354 2.612 2.940 158 HB2 ALA 27 1HB ALA 27 -6.986 2.298 4.009 159 HB3 ALA 27 2HB ALA 27 -7.998 3.720 4.265 160 H LEU 28 H LEU 28 -5.964 1.772 1.378 161 HA LEU 28 HA LEU 28 -3.609 1.066 2.653 162 HB2 LEU 28 1HB LEU 28 -4.472 -0.575 1.284 163 HB3 LEU 28 2HB LEU 28 -4.736 0.538 -0.057 164 HG LEU 28 HG LEU 28 -2.236 0.592 -0.362 165 HD11 LEU 28 1HD1 LEU 28 -1.546 -1.878 0.725 166 HD12 LEU 28 2HD1 LEU 28 -2.386 -1.024 2.019 167 HD13 LEU 28 3HD1 LEU 28 -0.983 -0.289 1.244 168 HD21 LEU 28 3HD2 LEU 28 -2.324 -1.154 -1.828 169 HD22 LEU 28 1HD2 LEU 28 -4.046 -0.966 -1.495 170 HD23 LEU 28 2HD2 LEU 28 -3.123 -2.227 -0.677 171 H ARG 29 H ARG 29 -4.033 3.057 -0.260 172 HA ARG 29 HA ARG 29 -1.354 3.511 -0.844 173 HB2 ARG 29 1HB ARG 29 -3.605 5.495 -1.201 174 HB3 ARG 29 2HB ARG 29 -2.092 5.445 -2.096 175 HG2 ARG 29 1HG ARG 29 -4.103 3.213 -2.148 176 HG3 ARG 29 2HG ARG 29 -4.108 4.553 -3.297 177 HD2 ARG 29 1HD ARG 29 -1.879 2.571 -2.848 178 HD3 ARG 29 2HD ARG 29 -2.954 2.645 -4.244 179 HE ARG 29 HE ARG 29 -1.598 5.106 -3.899 180 HH11 ARG 29 1HH1 ARG 29 -1.117 1.833 -4.981 181 HH12 ARG 29 2HH1 ARG 29 0.164 2.243 -6.073 182 HH21 ARG 29 1HH2 ARG 29 0.087 5.660 -5.332 183 HH22 ARG 29 2HH2 ARG 29 0.849 4.421 -6.271 184 H ILE 30 H ILE 30 -3.513 5.241 1.360 185 HA ILE 30 HA ILE 30 -1.738 7.320 2.034 186 HB ILE 30 HB ILE 30 -3.949 6.117 3.705 187 HG12 ILE 30 1HG1 ILE 30 -4.046 8.623 2.028 188 HG13 ILE 30 2HG1 ILE 30 -4.528 7.051 1.402 189 HG21 ILE 30 1HG2 ILE 30 -3.807 8.688 4.483 190 HG22 ILE 30 2HG2 ILE 30 -2.960 7.374 5.297 191 HG23 ILE 30 3HG2 ILE 30 -2.108 8.380 4.126 192 HD11 ILE 30 3HD1 ILE 30 -6.093 6.978 3.450 193 HD12 ILE 30 1HD1 ILE 30 -5.824 8.720 3.509 194 HD13 ILE 30 2HD1 ILE 30 -6.528 7.985 2.069 195 H HIS 31 H HIS 31 -2.246 4.106 3.405 196 HA HIS 31 HA HIS 31 -0.467 4.480 5.604 197 HB2 HIS 31 1HB HIS 31 -1.968 2.780 6.033 198 HB3 HIS 31 2HB HIS 31 -1.897 2.158 4.387 199 HD1 HIS 31 HD1 HIS 31 0.104 2.159 7.593 200 HD2 HIS 31 HD2 HIS 31 -0.146 0.084 4.003 201 HE1 HIS 31 HE1 HIS 31 1.625 0.174 7.856 202 H GLN 32 H GLN 32 -0.151 3.210 2.341 203 HA GLN 32 HA GLN 32 2.313 1.962 2.504 204 HB2 GLN 32 1HB GLN 32 0.920 3.435 0.293 205 HB3 GLN 32 2HB GLN 32 2.543 2.802 0.051 206 HG2 GLN 32 1HG GLN 32 1.569 0.570 0.866 207 HG3 GLN 32 2HG GLN 32 -0.000 1.310 0.555 208 HE21 GLN 32 1HE2 GLN 32 0.037 2.517 -1.680 209 HE22 GLN 32 2HE2 GLN 32 0.606 1.551 -2.995 210 H ARG 33 H ARG 33 1.546 5.338 2.599 211 HA ARG 33 HA ARG 33 3.895 6.530 1.776 212 HB2 ARG 33 1HB ARG 33 2.160 7.372 4.106 213 HB3 ARG 33 2HB ARG 33 3.307 8.397 3.253 214 HG2 ARG 33 1HG ARG 33 1.962 8.032 1.177 215 HG3 ARG 33 2HG ARG 33 0.760 7.214 2.178 216 HD2 ARG 33 1HD ARG 33 -0.107 9.321 2.209 217 HD3 ARG 33 2HD ARG 33 0.971 9.437 3.599 218 HE ARG 33 HE ARG 33 2.274 10.920 2.431 219 HH11 ARG 33 1HH1 ARG 33 0.056 9.356 0.250 220 HH12 ARG 33 2HH1 ARG 33 0.427 10.400 -1.083 221 HH21 ARG 33 1HH2 ARG 33 2.771 12.300 0.684 222 HH22 ARG 33 2HH2 ARG 33 1.972 12.073 -0.835 223 H VAL 34 H VAL 34 3.213 4.811 4.739 224 HA VAL 34 HA VAL 34 5.485 5.686 6.199 225 HB VAL 34 HB VAL 34 5.011 3.938 7.754 226 HG11 VAL 34 1HG1 VAL 34 2.809 4.465 8.367 227 HG12 VAL 34 2HG1 VAL 34 3.369 5.872 7.461 228 HG13 VAL 34 3HG1 VAL 34 2.305 4.692 6.693 229 HG21 VAL 34 3HG2 VAL 34 2.972 2.382 6.904 230 HG22 VAL 34 1HG2 VAL 34 3.845 2.625 5.391 231 HG23 VAL 34 2HG2 VAL 34 4.672 1.929 6.785 232 H HIS 35 H HIS 35 4.945 3.177 3.836 233 HA HIS 35 HA HIS 35 7.457 1.851 4.364 234 HB2 HIS 35 1HB HIS 35 5.382 1.502 2.196 235 HB3 HIS 35 2HB HIS 35 6.852 0.537 2.298 236 HD1 HIS 35 HD1 HIS 35 7.084 -0.889 4.601 237 HD2 HIS 35 HD2 HIS 35 3.299 0.532 3.647 238 HE1 HIS 35 HE1 HIS 35 5.487 -2.245 5.991 239 H MET 36 H MET 36 7.174 4.758 3.413 240 HA MET 36 HA MET 36 8.757 4.605 0.952 241 HB2 MET 36 1HB MET 36 7.365 6.919 2.305 242 HB3 MET 36 2HB MET 36 8.374 7.087 0.874 243 HG2 MET 36 1HG MET 36 6.786 5.293 -0.129 244 HG3 MET 36 2HG MET 36 5.701 5.798 1.165 245 HE1 MET 36 3HE MET 36 6.059 8.396 1.752 246 HE2 MET 36 1HE MET 36 5.959 9.674 0.541 247 HE3 MET 36 2HE MET 36 4.524 8.737 0.953 248 H GLY 37 H GLY 37 10.727 5.786 0.740 249 HA2 GLY 37 1HA GLY 37 12.084 6.209 3.331 250 HA3 GLY 37 2HA GLY 37 12.887 5.607 1.888 251 H GLU 38 H GLU 38 14.399 7.379 2.376 252 HA GLU 38 HA GLU 38 14.059 10.016 2.538 253 HB2 GLU 38 1HB GLU 38 16.102 10.362 1.305 254 HB3 GLU 38 2HB GLU 38 16.250 8.881 2.240 255 HG2 GLU 38 1HG GLU 38 15.536 7.674 0.106 256 HG3 GLU 38 2HG GLU 38 15.872 9.198 -0.714 257 H LYS 39 H LYS 39 12.821 11.466 1.571 258 HA LYS 39 HA LYS 39 12.005 10.999 -1.217 259 HB2 LYS 39 1HB LYS 39 10.253 11.169 0.628 260 HB3 LYS 39 2HB LYS 39 10.679 12.872 0.740 261 HG2 LYS 39 1HG LYS 39 10.176 12.970 -1.767 262 HG3 LYS 39 2HG LYS 39 9.388 11.408 -1.533 263 HD2 LYS 39 1HD LYS 39 7.809 12.324 -0.029 264 HD3 LYS 39 2HD LYS 39 8.726 13.823 0.136 265 HE2 LYS 39 1HE LYS 39 6.830 14.235 -1.275 266 HE3 LYS 39 2HE LYS 39 8.288 14.288 -2.264 267 HZ1 LYS 39 3HZ LYS 39 7.518 12.651 -3.521 268 HZ2 LYS 39 1HZ LYS 39 6.041 12.755 -2.701 269 HZ3 LYS 39 2HZ LYS 39 7.222 11.661 -2.182 270 H CYS 40 H CYS 40 13.091 12.155 -2.658 271 HA CYS 40 HA CYS 40 14.147 14.782 -1.871 272 HB2 CYS 40 1HB CYS 40 15.766 14.552 -3.623 273 HB3 CYS 40 2HB CYS 40 15.745 13.040 -2.724 274 HG CYS 40 HG CYS 40 15.298 11.519 -4.739 275 H SER 41 H SER 41 13.533 16.612 -2.888 276 HA SER 41 HA SER 41 11.748 16.360 -5.215 277 HB2 SER 41 1HB SER 41 11.353 18.018 -2.726 278 HB3 SER 41 2HB SER 41 10.523 18.389 -4.237 279 HG SER 41 HG SER 41 10.044 15.921 -4.003 280 H GLY 42 H GLY 42 12.053 17.806 -6.840 281 HA2 GLY 42 1HA GLY 42 14.514 19.158 -7.029 282 HA3 GLY 42 2HA GLY 42 13.153 19.358 -8.124 283 HA PRO 43 HA PRO 43 13.916 23.197 -5.444 284 HB2 PRO 43 1HB PRO 43 14.867 24.820 -7.401 285 HB3 PRO 43 2HB PRO 43 15.914 23.807 -6.401 286 HG2 PRO 43 1HG PRO 43 14.888 23.316 -9.170 287 HG3 PRO 43 2HG PRO 43 16.513 23.046 -8.515 288 HD2 PRO 43 1HD PRO 43 14.720 21.042 -8.837 289 HD3 PRO 43 2HD PRO 43 15.920 21.049 -7.528 290 H SER 44 H SER 44 12.090 22.129 -8.012 291 HA SER 44 HA SER 44 10.375 24.518 -7.883 292 HB2 SER 44 1HB SER 44 9.730 23.789 -10.314 293 HB3 SER 44 2HB SER 44 11.200 24.726 -10.050 294 HG SER 44 HG SER 44 11.337 21.927 -9.975 295 H SER 45 H SER 45 10.621 21.038 -8.270 296 HA SER 45 HA SER 45 8.997 19.396 -8.300 297 HB2 SER 45 1HB SER 45 9.500 20.231 -5.841 298 HB3 SER 45 2HB SER 45 7.817 20.753 -5.910 299 HG SER 45 HG SER 45 7.168 18.720 -5.963 300 H GLY 46 H GLY 46 8.188 21.094 -10.183 301 HA2 GLY 46 1HA GLY 46 5.358 21.678 -9.589 302 HA3 GLY 46 2HA GLY 46 6.302 22.465 -10.844 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.545 -20.577 -14.917 2 HA2 GLY 1 1HA GLY 1 1.910 -18.757 -15.479 3 HA3 GLY 1 2HA GLY 1 1.784 -20.147 -16.546 4 H SER 2 H SER 2 -0.230 -20.765 -16.898 5 HA SER 2 HA SER 2 -2.518 -20.829 -16.683 6 HB2 SER 2 1HB SER 2 -3.222 -22.360 -15.005 7 HB3 SER 2 2HB SER 2 -1.576 -22.836 -15.423 8 HG SER 2 HG SER 2 -1.067 -21.301 -13.554 9 H SER 3 H SER 3 -1.628 -18.278 -16.092 10 HA SER 3 HA SER 3 -2.893 -17.439 -13.613 11 HB2 SER 3 1HB SER 3 -1.299 -16.011 -15.733 12 HB3 SER 3 2HB SER 3 -2.163 -15.124 -14.478 13 HG SER 3 HG SER 3 -0.272 -15.453 -13.527 14 H GLY 4 H GLY 4 -5.069 -17.508 -13.726 15 HA2 GLY 4 1HA GLY 4 -6.428 -15.573 -15.321 16 HA3 GLY 4 2HA GLY 4 -6.689 -17.198 -15.939 17 H SER 5 H SER 5 -6.556 -15.729 -12.690 18 HA SER 5 HA SER 5 -9.297 -16.625 -12.215 19 HB2 SER 5 1HB SER 5 -6.991 -17.318 -10.379 20 HB3 SER 5 2HB SER 5 -8.693 -17.654 -10.066 21 HG SER 5 HG SER 5 -7.248 -19.359 -11.069 22 H SER 6 H SER 6 -10.458 -15.198 -11.071 23 HA SER 6 HA SER 6 -9.008 -12.953 -9.832 24 HB2 SER 6 1HB SER 6 -10.667 -12.645 -11.851 25 HB3 SER 6 2HB SER 6 -11.899 -12.769 -10.596 26 HG SER 6 HG SER 6 -10.034 -10.767 -11.073 27 H GLY 7 H GLY 7 -8.790 -14.142 -7.852 28 HA2 GLY 7 1HA GLY 7 -10.600 -13.502 -5.875 29 HA3 GLY 7 2HA GLY 7 -11.072 -15.102 -6.428 30 H SER 8 H SER 8 -8.239 -13.275 -5.297 31 HA SER 8 HA SER 8 -6.551 -15.399 -4.751 32 HB2 SER 8 1HB SER 8 -6.858 -12.705 -3.430 33 HB3 SER 8 2HB SER 8 -5.605 -13.846 -2.941 34 HG SER 8 HG SER 8 -5.407 -12.136 -4.849 35 H GLY 9 H GLY 9 -8.672 -13.748 -2.396 36 HA2 GLY 9 1HA GLY 9 -9.746 -16.035 -1.240 37 HA3 GLY 9 2HA GLY 9 -8.267 -15.681 -0.360 38 H GLU 10 H GLU 10 -8.381 -12.861 -0.479 39 HA GLU 10 HA GLU 10 -10.713 -12.362 1.252 40 HB2 GLU 10 1HB GLU 10 -8.491 -12.274 2.380 41 HB3 GLU 10 2HB GLU 10 -8.039 -10.954 1.310 42 HG2 GLU 10 1HG GLU 10 -9.423 -9.453 2.344 43 HG3 GLU 10 2HG GLU 10 -10.522 -10.701 2.927 44 H LYS 11 H LYS 11 -12.008 -10.644 0.853 45 HA LYS 11 HA LYS 11 -11.576 -9.234 -1.664 46 HB2 LYS 11 1HB LYS 11 -13.927 -9.767 0.093 47 HB3 LYS 11 2HB LYS 11 -13.968 -8.339 -0.934 48 HG2 LYS 11 1HG LYS 11 -13.385 -11.087 -1.997 49 HG3 LYS 11 2HG LYS 11 -15.018 -10.428 -1.876 50 HD2 LYS 11 1HD LYS 11 -12.846 -8.908 -3.275 51 HD3 LYS 11 2HD LYS 11 -13.738 -10.184 -4.108 52 HE2 LYS 11 1HE LYS 11 -15.830 -8.904 -3.211 53 HE3 LYS 11 2HE LYS 11 -14.704 -7.555 -3.065 54 HZ1 LYS 11 3HZ LYS 11 -15.125 -7.173 -5.199 55 HZ2 LYS 11 1HZ LYS 11 -15.923 -8.652 -5.402 56 HZ3 LYS 11 2HZ LYS 11 -14.241 -8.569 -5.560 57 H SER 12 H SER 12 -9.777 -8.417 0.211 58 HA SER 12 HA SER 12 -10.545 -5.634 0.557 59 HB2 SER 12 1HB SER 12 -9.675 -7.388 2.864 60 HB3 SER 12 2HB SER 12 -9.712 -5.626 2.927 61 HG SER 12 HG SER 12 -11.732 -5.837 3.425 62 H HIS 13 H HIS 13 -8.913 -4.333 0.025 63 HA HIS 13 HA HIS 13 -6.501 -5.255 -1.000 64 HB2 HIS 13 1HB HIS 13 -6.852 -2.506 0.187 65 HB3 HIS 13 2HB HIS 13 -5.834 -2.982 -1.169 66 HD1 HIS 13 HD1 HIS 13 -6.964 -3.235 -3.468 67 HD2 HIS 13 HD2 HIS 13 -9.564 -2.115 -0.427 68 HE1 HIS 13 HE1 HIS 13 -9.078 -2.512 -4.623 69 H THR 14 H THR 14 -4.827 -6.157 -0.023 70 HA THR 14 HA THR 14 -4.280 -5.452 2.785 71 HB THR 14 HB THR 14 -3.571 -7.987 1.295 72 HG1 THR 14 HG1 THR 14 -5.231 -8.881 2.380 73 HG21 THR 14 3HG2 THR 14 -3.252 -7.511 4.245 74 HG22 THR 14 1HG2 THR 14 -1.958 -7.139 3.106 75 HG23 THR 14 2HG2 THR 14 -2.557 -8.792 3.252 76 H CYS 15 H CYS 15 -2.278 -4.776 3.384 77 HA CYS 15 HA CYS 15 -0.513 -3.877 1.294 78 HB2 CYS 15 1HB CYS 15 -1.029 -2.579 3.399 79 HB3 CYS 15 2HB CYS 15 -0.050 -3.750 4.276 80 H ASP 16 H ASP 16 0.931 -5.169 0.383 81 HA ASP 16 HA ASP 16 1.782 -7.621 1.574 82 HB2 ASP 16 1HB ASP 16 2.542 -6.142 -0.935 83 HB3 ASP 16 2HB ASP 16 3.398 -7.599 -0.437 84 H GLU 17 H GLU 17 2.857 -4.396 1.768 85 HA GLU 17 HA GLU 17 5.624 -4.833 2.190 86 HB2 GLU 17 1HB GLU 17 3.892 -2.573 3.206 87 HB3 GLU 17 2HB GLU 17 5.647 -2.568 3.112 88 HG2 GLU 17 1HG GLU 17 4.048 -3.036 0.642 89 HG3 GLU 17 2HG GLU 17 4.223 -1.400 1.275 90 H CYS 18 H CYS 18 2.859 -4.574 4.389 91 HA CYS 18 HA CYS 18 4.563 -5.681 6.524 92 HB2 CYS 18 1HB CYS 18 3.153 -4.448 8.147 93 HB3 CYS 18 2HB CYS 18 4.024 -3.374 7.056 94 H GLY 19 H GLY 19 1.334 -5.531 5.105 95 HA2 GLY 19 1HA GLY 19 0.187 -7.680 4.810 96 HA3 GLY 19 2HA GLY 19 0.749 -8.113 6.417 97 H LYS 20 H LYS 20 -0.361 -4.888 5.867 98 HA LYS 20 HA LYS 20 -2.465 -5.229 7.795 99 HB2 LYS 20 1HB LYS 20 -1.336 -2.927 6.254 100 HB3 LYS 20 2HB LYS 20 -2.909 -2.753 7.020 101 HG2 LYS 20 1HG LYS 20 -0.670 -3.805 8.660 102 HG3 LYS 20 2HG LYS 20 -0.676 -2.087 8.253 103 HD2 LYS 20 1HD LYS 20 -2.927 -1.875 9.194 104 HD3 LYS 20 2HD LYS 20 -2.919 -3.593 9.600 105 HE2 LYS 20 1HE LYS 20 -0.774 -3.046 10.917 106 HE3 LYS 20 2HE LYS 20 -1.292 -1.366 10.778 107 HZ1 LYS 20 3HZ LYS 20 -2.614 -3.591 12.197 108 HZ2 LYS 20 1HZ LYS 20 -3.493 -2.227 11.718 109 HZ3 LYS 20 2HZ LYS 20 -2.190 -2.061 12.782 110 H ASN 21 H ASN 21 -4.683 -4.336 7.338 111 HA ASN 21 HA ASN 21 -5.559 -5.097 4.629 112 HB2 ASN 21 1HB ASN 21 -6.605 -5.880 7.305 113 HB3 ASN 21 2HB ASN 21 -7.781 -5.608 6.022 114 HD21 ASN 21 1HD2 ASN 21 -4.842 -7.387 6.816 115 HD22 ASN 21 2HD2 ASN 21 -5.184 -8.752 5.812 116 H PHE 22 H PHE 22 -6.900 -3.728 3.585 117 HA PHE 22 HA PHE 22 -8.136 -1.536 5.084 118 HB2 PHE 22 1HB PHE 22 -6.575 -1.101 2.532 119 HB3 PHE 22 2HB PHE 22 -7.361 0.131 3.513 120 HD1 PHE 22 HD2 PHE 22 -4.547 -2.231 3.349 121 HD2 PHE 22 HD1 PHE 22 -6.322 1.011 5.462 122 HE1 PHE 22 HE2 PHE 22 -2.467 -1.930 4.628 123 HE2 PHE 22 HE1 PHE 22 -4.244 1.317 6.743 124 HZ PHE 22 HZ PHE 22 -2.314 -0.155 6.329 125 H CYS 23 H CYS 23 -10.237 -1.726 4.698 126 HA CYS 23 HA CYS 23 -11.464 -3.187 2.715 127 HB2 CYS 23 1HB CYS 23 -12.610 -2.308 4.723 128 HB3 CYS 23 2HB CYS 23 -12.552 -0.690 4.033 129 HG CYS 23 HG CYS 23 -14.239 -3.319 2.633 130 H TYR 24 H TYR 24 -10.594 0.245 2.676 131 HA TYR 24 HA TYR 24 -11.327 0.347 -0.172 132 HB2 TYR 24 1HB TYR 24 -10.945 2.927 0.386 133 HB3 TYR 24 2HB TYR 24 -12.480 2.122 0.694 134 HD1 TYR 24 HD2 TYR 24 -12.729 1.060 3.082 135 HD2 TYR 24 HD1 TYR 24 -9.933 4.113 2.099 136 HE1 TYR 24 HE2 TYR 24 -12.584 1.684 5.456 137 HE2 TYR 24 HE1 TYR 24 -9.779 4.745 4.471 138 HH TYR 24 HH TYR 24 -11.968 3.606 6.821 139 H ILE 25 H ILE 25 -9.749 0.359 -1.619 140 HA ILE 25 HA ILE 25 -7.079 0.065 -1.131 141 HB ILE 25 HB ILE 25 -8.229 -0.179 -3.356 142 HG12 ILE 25 1HG1 ILE 25 -6.229 0.437 -4.658 143 HG13 ILE 25 2HG1 ILE 25 -5.659 1.419 -3.313 144 HG21 ILE 25 1HG2 ILE 25 -7.708 2.779 -3.598 145 HG22 ILE 25 2HG2 ILE 25 -8.434 1.720 -4.806 146 HG23 ILE 25 3HG2 ILE 25 -9.295 2.068 -3.307 147 HD11 ILE 25 3HD1 ILE 25 -5.082 -1.246 -3.805 148 HD12 ILE 25 1HD1 ILE 25 -4.739 -0.338 -2.333 149 HD13 ILE 25 2HD1 ILE 25 -6.228 -1.274 -2.465 150 H SER 26 H SER 26 -8.781 3.125 -1.733 151 HA SER 26 HA SER 26 -6.781 4.938 -1.837 152 HB2 SER 26 1HB SER 26 -9.437 5.066 -0.429 153 HB3 SER 26 2HB SER 26 -8.341 6.447 -0.418 154 HG SER 26 HG SER 26 -9.212 6.877 -2.279 155 H ALA 27 H ALA 27 -8.067 3.507 1.148 156 HA ALA 27 HA ALA 27 -6.489 4.907 2.973 157 HB1 ALA 27 3HB ALA 27 -6.870 2.244 3.913 158 HB2 ALA 27 1HB ALA 27 -7.702 3.721 4.399 159 HB3 ALA 27 2HB ALA 27 -8.322 2.760 3.055 160 H LEU 28 H LEU 28 -5.922 1.630 1.674 161 HA LEU 28 HA LEU 28 -3.501 1.069 2.797 162 HB2 LEU 28 1HB LEU 28 -4.449 -0.625 1.519 163 HB3 LEU 28 2HB LEU 28 -4.653 0.419 0.114 164 HG LEU 28 HG LEU 28 -2.191 0.370 -0.213 165 HD11 LEU 28 1HD1 LEU 28 -0.858 -0.376 1.389 166 HD12 LEU 28 2HD1 LEU 28 -1.580 -1.979 1.245 167 HD13 LEU 28 3HD1 LEU 28 -2.258 -0.805 2.373 168 HD21 LEU 28 3HD2 LEU 28 -3.021 -1.122 -1.677 169 HD22 LEU 28 1HD2 LEU 28 -4.012 -1.924 -0.458 170 HD23 LEU 28 2HD2 LEU 28 -2.296 -2.308 -0.591 171 H ARG 29 H ARG 29 -4.034 2.887 -0.212 172 HA ARG 29 HA ARG 29 -1.390 3.350 -0.906 173 HB2 ARG 29 1HB ARG 29 -3.667 5.306 -1.256 174 HB3 ARG 29 2HB ARG 29 -2.192 5.223 -2.209 175 HG2 ARG 29 1HG ARG 29 -4.244 3.026 -2.087 176 HG3 ARG 29 2HG ARG 29 -4.196 4.277 -3.331 177 HD2 ARG 29 1HD ARG 29 -2.094 2.199 -2.744 178 HD3 ARG 29 2HD ARG 29 -3.115 2.309 -4.177 179 HE ARG 29 HE ARG 29 -1.699 4.689 -4.004 180 HH11 ARG 29 1HH1 ARG 29 -1.025 1.299 -4.424 181 HH12 ARG 29 2HH1 ARG 29 0.415 1.566 -5.351 182 HH21 ARG 29 1HH2 ARG 29 0.194 5.054 -5.223 183 HH22 ARG 29 2HH2 ARG 29 1.108 3.703 -5.804 184 H ILE 30 H ILE 30 -3.488 5.205 1.266 185 HA ILE 30 HA ILE 30 -1.664 7.286 1.797 186 HB ILE 30 HB ILE 30 -3.902 6.220 3.522 187 HG12 ILE 30 1HG1 ILE 30 -3.867 8.666 1.750 188 HG13 ILE 30 2HG1 ILE 30 -4.478 7.103 1.220 189 HG21 ILE 30 1HG2 ILE 30 -3.643 8.812 4.228 190 HG22 ILE 30 2HG2 ILE 30 -2.887 7.475 5.093 191 HG23 ILE 30 3HG2 ILE 30 -1.959 8.395 3.910 192 HD11 ILE 30 3HD1 ILE 30 -6.386 8.225 1.870 193 HD12 ILE 30 1HD1 ILE 30 -6.002 7.255 3.291 194 HD13 ILE 30 2HD1 ILE 30 -5.598 8.972 3.259 195 H HIS 31 H HIS 31 -2.163 4.131 3.276 196 HA HIS 31 HA HIS 31 -0.381 4.592 5.465 197 HB2 HIS 31 1HB HIS 31 -1.884 2.922 5.985 198 HB3 HIS 31 2HB HIS 31 -1.850 2.240 4.361 199 HD1 HIS 31 HD1 HIS 31 0.199 2.327 7.535 200 HD2 HIS 31 HD2 HIS 31 -0.124 0.136 4.020 201 HE1 HIS 31 HE1 HIS 31 1.702 0.334 7.844 202 H GLN 32 H GLN 32 -0.097 3.199 2.252 203 HA GLN 32 HA GLN 32 2.361 1.936 2.457 204 HB2 GLN 32 1HB GLN 32 0.958 3.311 0.189 205 HB3 GLN 32 2HB GLN 32 2.574 2.653 -0.034 206 HG2 GLN 32 1HG GLN 32 1.575 0.474 0.909 207 HG3 GLN 32 2HG GLN 32 0.018 1.215 0.543 208 HE21 GLN 32 1HE2 GLN 32 -0.112 2.140 -1.726 209 HE22 GLN 32 2HE2 GLN 32 0.533 1.157 -2.991 210 H ARG 33 H ARG 33 1.611 5.314 2.409 211 HA ARG 33 HA ARG 33 4.036 6.389 1.542 212 HB2 ARG 33 1HB ARG 33 2.097 7.477 3.592 213 HB3 ARG 33 2HB ARG 33 3.384 8.404 2.834 214 HG2 ARG 33 1HG ARG 33 2.347 8.120 0.661 215 HG3 ARG 33 2HG ARG 33 1.082 7.121 1.379 216 HD2 ARG 33 1HD ARG 33 0.465 9.068 2.813 217 HD3 ARG 33 2HD ARG 33 1.620 10.039 1.903 218 HE ARG 33 HE ARG 33 -0.986 9.170 1.036 219 HH11 ARG 33 1HH1 ARG 33 2.159 10.285 0.042 220 HH12 ARG 33 2HH1 ARG 33 1.608 10.877 -1.490 221 HH21 ARG 33 1HH2 ARG 33 -1.723 9.947 -0.978 222 HH22 ARG 33 2HH2 ARG 33 -0.600 10.686 -2.069 223 H VAL 34 H VAL 34 3.190 4.843 4.516 224 HA VAL 34 HA VAL 34 5.315 5.907 6.097 225 HB VAL 34 HB VAL 34 4.745 4.261 7.739 226 HG11 VAL 34 1HG1 VAL 34 3.129 6.173 7.169 227 HG12 VAL 34 2HG1 VAL 34 2.107 4.915 6.472 228 HG13 VAL 34 3HG1 VAL 34 2.533 4.859 8.182 229 HG21 VAL 34 3HG2 VAL 34 3.741 2.785 5.400 230 HG22 VAL 34 1HG2 VAL 34 4.454 2.191 6.899 231 HG23 VAL 34 2HG2 VAL 34 2.754 2.656 6.855 232 H HIS 35 H HIS 35 4.996 3.256 3.866 233 HA HIS 35 HA HIS 35 7.395 1.912 4.704 234 HB2 HIS 35 1HB HIS 35 5.573 1.607 2.321 235 HB3 HIS 35 2HB HIS 35 7.046 0.659 2.505 236 HD1 HIS 35 HD1 HIS 35 7.107 -1.006 4.567 237 HD2 HIS 35 HD2 HIS 35 3.413 0.721 3.773 238 HE1 HIS 35 HE1 HIS 35 5.432 -2.392 5.831 239 H MET 36 H MET 36 6.518 4.292 2.287 240 HA MET 36 HA MET 36 9.085 4.177 0.970 241 HB2 MET 36 1HB MET 36 8.221 5.681 -0.572 242 HB3 MET 36 2HB MET 36 6.781 4.813 -0.055 243 HG2 MET 36 1HG MET 36 6.189 6.625 1.436 244 HG3 MET 36 2HG MET 36 7.667 7.484 1.010 245 HE1 MET 36 3HE MET 36 4.424 5.875 -0.478 246 HE2 MET 36 1HE MET 36 4.361 6.601 -2.084 247 HE3 MET 36 2HE MET 36 5.640 5.455 -1.685 248 H GLY 37 H GLY 37 7.540 6.066 3.466 249 HA2 GLY 37 1HA GLY 37 9.031 8.369 3.542 250 HA3 GLY 37 2HA GLY 37 8.440 7.548 4.979 251 H GLU 38 H GLU 38 11.124 8.796 3.654 252 HA GLU 38 HA GLU 38 13.375 8.490 3.893 253 HB2 GLU 38 1HB GLU 38 12.164 7.691 6.499 254 HB3 GLU 38 2HB GLU 38 13.883 7.406 6.261 255 HG2 GLU 38 1HG GLU 38 13.682 9.500 7.323 256 HG3 GLU 38 2HG GLU 38 14.097 9.827 5.641 257 H LYS 39 H LYS 39 12.463 6.597 2.242 258 HA LYS 39 HA LYS 39 13.614 4.060 3.182 259 HB2 LYS 39 1HB LYS 39 11.240 4.117 2.295 260 HB3 LYS 39 2HB LYS 39 11.924 4.480 0.717 261 HG2 LYS 39 1HG LYS 39 13.224 2.363 0.865 262 HG3 LYS 39 2HG LYS 39 12.349 1.991 2.353 263 HD2 LYS 39 1HD LYS 39 10.221 2.194 1.057 264 HD3 LYS 39 2HD LYS 39 11.192 2.349 -0.409 265 HE2 LYS 39 1HE LYS 39 11.970 0.159 -0.269 266 HE3 LYS 39 2HE LYS 39 11.578 0.028 1.445 267 HZ1 LYS 39 3HZ LYS 39 10.034 -0.789 -0.707 268 HZ2 LYS 39 1HZ LYS 39 9.233 0.544 -0.040 269 HZ3 LYS 39 2HZ LYS 39 9.603 -0.793 0.929 270 H CYS 40 H CYS 40 14.912 2.824 1.645 271 HA CYS 40 HA CYS 40 16.740 4.577 0.215 272 HB2 CYS 40 1HB CYS 40 17.532 2.773 1.792 273 HB3 CYS 40 2HB CYS 40 16.965 1.592 0.617 274 HG CYS 40 HG CYS 40 18.696 2.617 -1.420 275 H SER 41 H SER 41 15.596 5.141 -1.632 276 HA SER 41 HA SER 41 15.029 2.929 -3.495 277 HB2 SER 41 1HB SER 41 13.119 4.507 -2.623 278 HB3 SER 41 2HB SER 41 13.776 5.634 -3.809 279 HG SER 41 HG SER 41 13.286 4.232 -5.424 280 H GLY 42 H GLY 42 17.210 2.970 -4.243 281 HA2 GLY 42 1HA GLY 42 18.360 5.349 -5.345 282 HA3 GLY 42 2HA GLY 42 18.982 3.714 -5.519 283 HA PRO 43 HA PRO 43 16.580 5.361 -9.363 284 HB2 PRO 43 1HB PRO 43 18.541 6.673 -10.707 285 HB3 PRO 43 2HB PRO 43 17.445 7.479 -9.579 286 HG2 PRO 43 1HG PRO 43 20.247 6.521 -9.139 287 HG3 PRO 43 2HG PRO 43 19.491 8.042 -8.628 288 HD2 PRO 43 1HD PRO 43 19.837 5.949 -6.945 289 HD3 PRO 43 2HD PRO 43 18.464 7.066 -6.810 290 H SER 44 H SER 44 16.907 4.572 -11.535 291 HA SER 44 HA SER 44 19.117 2.652 -11.815 292 HB2 SER 44 1HB SER 44 16.241 2.117 -12.594 293 HB3 SER 44 2HB SER 44 17.598 1.008 -12.789 294 HG SER 44 HG SER 44 16.457 0.501 -10.912 295 H SER 45 H SER 45 20.163 2.759 -13.700 296 HA SER 45 HA SER 45 19.844 4.817 -15.505 297 HB2 SER 45 1HB SER 45 21.216 2.159 -15.648 298 HB3 SER 45 2HB SER 45 21.110 3.149 -17.103 299 HG SER 45 HG SER 45 21.913 4.861 -15.472 300 H GLY 46 H GLY 46 17.781 5.135 -16.258 301 HA2 GLY 46 1HA GLY 46 16.462 4.857 -18.248 302 HA3 GLY 46 2HA GLY 46 16.849 3.143 -18.215 Start of MODEL 10 1 H1 GLY 1 H GLY 1 8.804 -29.842 3.170 2 HA2 GLY 1 1HA GLY 1 7.000 -29.313 1.680 3 HA3 GLY 1 2HA GLY 1 5.969 -30.393 2.606 4 H SER 2 H SER 2 5.293 -27.742 1.892 5 HA SER 2 HA SER 2 4.386 -26.757 4.369 6 HB2 SER 2 1HB SER 2 5.677 -24.734 4.615 7 HB3 SER 2 2HB SER 2 6.800 -26.091 4.541 8 HG SER 2 HG SER 2 6.278 -24.099 2.637 9 H SER 3 H SER 3 2.535 -25.776 3.922 10 HA SER 3 HA SER 3 2.058 -24.821 1.204 11 HB2 SER 3 1HB SER 3 0.080 -25.122 3.475 12 HB3 SER 3 2HB SER 3 -0.296 -24.869 1.771 13 HG SER 3 HG SER 3 -0.491 -27.044 2.203 14 H GLY 4 H GLY 4 1.608 -22.735 0.676 15 HA2 GLY 4 1HA GLY 4 1.249 -20.764 2.803 16 HA3 GLY 4 2HA GLY 4 2.665 -20.580 1.779 17 H SER 5 H SER 5 -0.721 -21.455 1.100 18 HA SER 5 HA SER 5 -0.782 -19.245 -0.849 19 HB2 SER 5 1HB SER 5 -2.289 -21.869 -0.972 20 HB3 SER 5 2HB SER 5 -2.356 -20.580 -2.173 21 HG SER 5 HG SER 5 -0.762 -22.547 -2.282 22 H SER 6 H SER 6 -3.114 -18.576 -1.363 23 HA SER 6 HA SER 6 -4.504 -18.192 1.197 24 HB2 SER 6 1HB SER 6 -3.657 -16.253 -0.388 25 HB3 SER 6 2HB SER 6 -5.164 -16.588 -1.240 26 HG SER 6 HG SER 6 -4.967 -16.034 1.537 27 H GLY 7 H GLY 7 -5.322 -18.531 -2.264 28 HA2 GLY 7 1HA GLY 7 -6.831 -20.113 -3.154 29 HA3 GLY 7 2HA GLY 7 -7.441 -20.409 -1.533 30 H SER 8 H SER 8 -9.427 -19.703 -1.183 31 HA SER 8 HA SER 8 -10.875 -18.163 -3.028 32 HB2 SER 8 1HB SER 8 -11.369 -19.018 -0.192 33 HB3 SER 8 2HB SER 8 -12.483 -17.908 -0.989 34 HG SER 8 HG SER 8 -12.029 -20.601 -1.441 35 H GLY 9 H GLY 9 -9.551 -17.269 0.159 36 HA2 GLY 9 1HA GLY 9 -8.907 -15.231 0.998 37 HA3 GLY 9 2HA GLY 9 -8.826 -14.664 -0.663 38 H GLU 10 H GLU 10 -9.604 -12.842 1.083 39 HA GLU 10 HA GLU 10 -12.534 -12.720 0.787 40 HB2 GLU 10 1HB GLU 10 -11.354 -12.795 3.159 41 HB3 GLU 10 2HB GLU 10 -11.130 -11.079 2.846 42 HG2 GLU 10 1HG GLU 10 -13.118 -10.993 3.923 43 HG3 GLU 10 2HG GLU 10 -13.706 -11.214 2.276 44 H LYS 11 H LYS 11 -13.432 -10.556 0.515 45 HA LYS 11 HA LYS 11 -11.953 -9.065 -1.434 46 HB2 LYS 11 1HB LYS 11 -14.684 -8.863 -0.223 47 HB3 LYS 11 2HB LYS 11 -14.043 -7.503 -1.135 48 HG2 LYS 11 1HG LYS 11 -13.673 -9.051 -3.051 49 HG3 LYS 11 2HG LYS 11 -14.506 -10.305 -2.130 50 HD2 LYS 11 1HD LYS 11 -16.346 -8.404 -1.927 51 HD3 LYS 11 2HD LYS 11 -15.584 -7.854 -3.421 52 HE2 LYS 11 1HE LYS 11 -15.861 -10.228 -4.266 53 HE3 LYS 11 2HE LYS 11 -16.896 -10.505 -2.865 54 HZ1 LYS 11 3HZ LYS 11 -17.364 -8.378 -4.882 55 HZ2 LYS 11 1HZ LYS 11 -18.398 -8.830 -3.622 56 HZ3 LYS 11 2HZ LYS 11 -18.118 -9.892 -4.908 57 H SER 12 H SER 12 -10.140 -8.299 -0.285 58 HA SER 12 HA SER 12 -10.470 -5.728 0.864 59 HB2 SER 12 1HB SER 12 -9.722 -6.154 3.127 60 HB3 SER 12 2HB SER 12 -11.145 -7.145 2.808 61 HG SER 12 HG SER 12 -9.902 -8.710 3.464 62 H HIS 13 H HIS 13 -8.715 -4.611 0.335 63 HA HIS 13 HA HIS 13 -6.459 -5.841 -0.853 64 HB2 HIS 13 1HB HIS 13 -6.861 -3.005 0.117 65 HB3 HIS 13 2HB HIS 13 -5.502 -3.543 -0.865 66 HD1 HIS 13 HD1 HIS 13 -5.892 -3.819 -3.360 67 HD2 HIS 13 HD2 HIS 13 -9.357 -2.929 -1.249 68 HE1 HIS 13 HE1 HIS 13 -7.626 -3.297 -5.104 69 H THR 14 H THR 14 -4.409 -6.201 -0.102 70 HA THR 14 HA THR 14 -3.933 -5.702 2.762 71 HB THR 14 HB THR 14 -3.193 -8.203 1.230 72 HG1 THR 14 HG1 THR 14 -5.345 -8.267 1.854 73 HG21 THR 14 3HG2 THR 14 -2.849 -8.477 4.036 74 HG22 THR 14 1HG2 THR 14 -1.993 -7.022 3.526 75 HG23 THR 14 2HG2 THR 14 -1.627 -8.572 2.769 76 H CYS 15 H CYS 15 -2.061 -4.732 3.231 77 HA CYS 15 HA CYS 15 -0.345 -3.831 1.147 78 HB2 CYS 15 1HB CYS 15 -0.807 -2.570 3.258 79 HB3 CYS 15 2HB CYS 15 0.157 -3.759 4.128 80 H ASP 16 H ASP 16 1.160 -4.995 0.171 81 HA ASP 16 HA ASP 16 2.113 -7.472 1.224 82 HB2 ASP 16 1HB ASP 16 1.822 -6.888 -1.233 83 HB3 ASP 16 2HB ASP 16 3.300 -5.940 -1.090 84 H GLU 17 H GLU 17 2.989 -4.270 1.755 85 HA GLU 17 HA GLU 17 5.806 -4.614 2.088 86 HB2 GLU 17 1HB GLU 17 4.095 -2.463 3.333 87 HB3 GLU 17 2HB GLU 17 5.815 -2.394 2.974 88 HG2 GLU 17 1HG GLU 17 3.719 -2.688 0.844 89 HG3 GLU 17 2HG GLU 17 4.292 -1.124 1.421 90 H CYS 18 H CYS 18 3.040 -4.493 4.307 91 HA CYS 18 HA CYS 18 4.750 -5.729 6.363 92 HB2 CYS 18 1HB CYS 18 3.365 -4.543 8.064 93 HB3 CYS 18 2HB CYS 18 4.308 -3.457 7.048 94 H GLY 19 H GLY 19 1.561 -5.484 4.907 95 HA2 GLY 19 1HA GLY 19 0.376 -7.605 4.569 96 HA3 GLY 19 2HA GLY 19 0.876 -8.055 6.192 97 H LYS 20 H LYS 20 0.010 -4.796 5.959 98 HA LYS 20 HA LYS 20 -2.143 -5.037 7.745 99 HB2 LYS 20 1HB LYS 20 -1.062 -2.838 6.033 100 HB3 LYS 20 2HB LYS 20 -2.629 -2.620 6.800 101 HG2 LYS 20 1HG LYS 20 -0.292 -3.498 8.434 102 HG3 LYS 20 2HG LYS 20 -0.470 -1.800 7.987 103 HD2 LYS 20 1HD LYS 20 -2.612 -1.681 9.063 104 HD3 LYS 20 2HD LYS 20 -2.614 -3.422 9.354 105 HE2 LYS 20 1HE LYS 20 -0.359 -1.808 10.431 106 HE3 LYS 20 2HE LYS 20 -1.924 -1.697 11.235 107 HZ1 LYS 20 3HZ LYS 20 -0.002 -3.800 11.310 108 HZ2 LYS 20 1HZ LYS 20 -1.523 -4.378 10.848 109 HZ3 LYS 20 2HZ LYS 20 -1.344 -3.537 12.305 110 H ASN 21 H ASN 21 -4.353 -3.988 7.192 111 HA ASN 21 HA ASN 21 -5.302 -5.011 4.600 112 HB2 ASN 21 1HB ASN 21 -5.851 -6.398 6.759 113 HB3 ASN 21 2HB ASN 21 -7.055 -5.141 7.028 114 HD21 ASN 21 1HD2 ASN 21 -6.422 -8.059 5.559 115 HD22 ASN 21 2HD2 ASN 21 -7.769 -8.112 4.478 116 H PHE 22 H PHE 22 -6.881 -3.825 3.574 117 HA PHE 22 HA PHE 22 -8.055 -1.526 4.907 118 HB2 PHE 22 1HB PHE 22 -6.456 -1.143 2.371 119 HB3 PHE 22 2HB PHE 22 -7.251 0.103 3.328 120 HD1 PHE 22 HD2 PHE 22 -4.396 -2.187 3.147 121 HD2 PHE 22 HD1 PHE 22 -6.256 0.954 5.336 122 HE1 PHE 22 HE2 PHE 22 -2.323 -1.858 4.430 123 HE2 PHE 22 HE1 PHE 22 -4.185 1.289 6.622 124 HZ PHE 22 HZ PHE 22 -2.215 -0.119 6.170 125 H CYS 23 H CYS 23 -10.140 -1.807 4.482 126 HA CYS 23 HA CYS 23 -11.258 -3.339 2.477 127 HB2 CYS 23 1HB CYS 23 -12.568 -2.632 4.378 128 HB3 CYS 23 2HB CYS 23 -12.407 -0.942 3.915 129 HG CYS 23 HG CYS 23 -14.115 -3.294 2.107 130 H TYR 24 H TYR 24 -10.414 0.084 2.437 131 HA TYR 24 HA TYR 24 -11.159 0.188 -0.410 132 HB2 TYR 24 1HB TYR 24 -10.825 2.775 0.157 133 HB3 TYR 24 2HB TYR 24 -12.349 1.942 0.447 134 HD1 TYR 24 HD2 TYR 24 -12.463 0.760 2.850 135 HD2 TYR 24 HD1 TYR 24 -9.994 4.082 1.862 136 HE1 TYR 24 HE2 TYR 24 -12.354 1.379 5.228 137 HE2 TYR 24 HE1 TYR 24 -9.877 4.709 4.238 138 HH TYR 24 HH TYR 24 -11.728 4.075 6.401 139 H ILE 25 H ILE 25 -9.624 0.477 -1.902 140 HA ILE 25 HA ILE 25 -6.933 0.131 -1.411 141 HB ILE 25 HB ILE 25 -8.081 -0.038 -3.644 142 HG12 ILE 25 1HG1 ILE 25 -6.036 1.076 -4.859 143 HG13 ILE 25 2HG1 ILE 25 -5.448 1.329 -3.219 144 HG21 ILE 25 1HG2 ILE 25 -7.568 2.920 -3.836 145 HG22 ILE 25 2HG2 ILE 25 -8.391 1.881 -4.999 146 HG23 ILE 25 3HG2 ILE 25 -9.146 2.236 -3.445 147 HD11 ILE 25 3HD1 ILE 25 -6.375 -1.390 -3.914 148 HD12 ILE 25 1HD1 ILE 25 -4.866 -0.834 -4.638 149 HD13 ILE 25 2HD1 ILE 25 -5.042 -0.870 -2.883 150 H SER 26 H SER 26 -8.691 3.183 -1.863 151 HA SER 26 HA SER 26 -6.703 5.024 -1.889 152 HB2 SER 26 1HB SER 26 -9.413 5.041 -0.613 153 HB3 SER 26 2HB SER 26 -8.334 6.412 -0.359 154 HG SER 26 HG SER 26 -9.861 5.929 -2.452 155 H ALA 27 H ALA 27 -8.068 3.552 1.047 156 HA ALA 27 HA ALA 27 -6.502 4.877 2.927 157 HB1 ALA 27 3HB ALA 27 -7.867 3.702 4.223 158 HB2 ALA 27 1HB ALA 27 -8.276 2.623 2.890 159 HB3 ALA 27 2HB ALA 27 -6.877 2.277 3.908 160 H LEU 28 H LEU 28 -5.909 1.709 1.401 161 HA LEU 28 HA LEU 28 -3.520 1.063 2.601 162 HB2 LEU 28 1HB LEU 28 -4.436 -0.583 1.249 163 HB3 LEU 28 2HB LEU 28 -4.646 0.515 -0.113 164 HG LEU 28 HG LEU 28 -2.183 0.496 -0.439 165 HD11 LEU 28 1HD1 LEU 28 -2.335 -1.076 2.026 166 HD12 LEU 28 2HD1 LEU 28 -1.002 -0.137 1.355 167 HD13 LEU 28 3HD1 LEU 28 -1.306 -1.775 0.776 168 HD21 LEU 28 3HD2 LEU 28 -2.439 -1.196 -1.872 169 HD22 LEU 28 1HD2 LEU 28 -4.065 -1.358 -1.208 170 HD23 LEU 28 2HD2 LEU 28 -2.753 -2.355 -0.579 171 H ARG 29 H ARG 29 -4.010 3.033 -0.314 172 HA ARG 29 HA ARG 29 -1.340 3.499 -0.944 173 HB2 ARG 29 1HB ARG 29 -3.609 5.465 -1.292 174 HB3 ARG 29 2HB ARG 29 -2.112 5.405 -2.213 175 HG2 ARG 29 1HG ARG 29 -4.141 3.186 -2.197 176 HG3 ARG 29 2HG ARG 29 -4.123 4.493 -3.383 177 HD2 ARG 29 1HD ARG 29 -1.901 2.518 -2.873 178 HD3 ARG 29 2HD ARG 29 -3.004 2.507 -4.248 179 HE ARG 29 HE ARG 29 -1.874 4.964 -4.372 180 HH11 ARG 29 1HH1 ARG 29 -0.586 1.737 -4.154 181 HH12 ARG 29 2HH1 ARG 29 0.863 2.116 -5.026 182 HH21 ARG 29 1HH2 ARG 29 0.029 5.476 -5.521 183 HH22 ARG 29 2HH2 ARG 29 1.212 4.243 -5.802 184 H ILE 30 H ILE 30 -3.491 5.247 1.257 185 HA ILE 30 HA ILE 30 -1.676 7.319 1.895 186 HB ILE 30 HB ILE 30 -3.990 6.225 3.497 187 HG12 ILE 30 1HG1 ILE 30 -3.910 8.781 1.907 188 HG13 ILE 30 2HG1 ILE 30 -4.367 7.252 1.164 189 HG21 ILE 30 1HG2 ILE 30 -1.970 8.183 4.155 190 HG22 ILE 30 2HG2 ILE 30 -3.585 8.889 4.173 191 HG23 ILE 30 3HG2 ILE 30 -3.229 7.479 5.170 192 HD11 ILE 30 3HD1 ILE 30 -6.291 8.613 1.878 193 HD12 ILE 30 1HD1 ILE 30 -6.234 7.032 2.658 194 HD13 ILE 30 2HD1 ILE 30 -5.737 8.473 3.546 195 H HIS 31 H HIS 31 -2.319 4.162 3.338 196 HA HIS 31 HA HIS 31 -0.650 4.508 5.603 197 HB2 HIS 31 1HB HIS 31 -2.118 2.762 5.919 198 HB3 HIS 31 2HB HIS 31 -1.968 2.194 4.259 199 HD1 HIS 31 HD1 HIS 31 -0.032 2.174 7.515 200 HD2 HIS 31 HD2 HIS 31 -0.243 0.106 3.917 201 HE1 HIS 31 HE1 HIS 31 1.489 0.190 7.789 202 H GLN 32 H GLN 32 -0.120 3.059 2.412 203 HA GLN 32 HA GLN 32 2.358 1.950 2.701 204 HB2 GLN 32 1HB GLN 32 1.099 3.423 0.409 205 HB3 GLN 32 2HB GLN 32 2.736 2.794 0.274 206 HG2 GLN 32 1HG GLN 32 1.712 0.558 1.017 207 HG3 GLN 32 2HG GLN 32 0.167 1.297 0.598 208 HE21 GLN 32 1HE2 GLN 32 0.001 2.188 -1.605 209 HE22 GLN 32 2HE2 GLN 32 0.801 1.350 -2.887 210 H ARG 33 H ARG 33 1.552 5.355 2.490 211 HA ARG 33 HA ARG 33 3.900 6.578 1.908 212 HB2 ARG 33 1HB ARG 33 1.958 7.323 4.101 213 HB3 ARG 33 2HB ARG 33 3.223 8.384 3.497 214 HG2 ARG 33 1HG ARG 33 2.205 8.506 1.350 215 HG3 ARG 33 2HG ARG 33 1.055 7.232 1.762 216 HD2 ARG 33 1HD ARG 33 -0.233 9.118 2.049 217 HD3 ARG 33 2HD ARG 33 0.377 8.861 3.683 218 HE ARG 33 HE ARG 33 1.040 11.032 1.893 219 HH11 ARG 33 1HH1 ARG 33 1.918 9.246 4.749 220 HH12 ARG 33 2HH1 ARG 33 2.872 10.529 5.417 221 HH21 ARG 33 1HH2 ARG 33 2.293 12.729 2.761 222 HH22 ARG 33 2HH2 ARG 33 3.084 12.510 4.285 223 H VAL 34 H VAL 34 3.011 5.201 5.052 224 HA VAL 34 HA VAL 34 5.234 5.991 6.522 225 HB VAL 34 HB VAL 34 4.706 4.295 8.089 226 HG11 VAL 34 1HG1 VAL 34 2.928 6.097 7.449 227 HG12 VAL 34 2HG1 VAL 34 2.009 4.703 6.877 228 HG13 VAL 34 3HG1 VAL 34 2.510 4.798 8.565 229 HG21 VAL 34 3HG2 VAL 34 2.982 2.489 7.333 230 HG22 VAL 34 1HG2 VAL 34 3.592 2.858 5.720 231 HG23 VAL 34 2HG2 VAL 34 4.694 2.278 6.969 232 H HIS 35 H HIS 35 4.823 3.279 4.315 233 HA HIS 35 HA HIS 35 7.297 2.016 4.940 234 HB2 HIS 35 1HB HIS 35 5.371 1.783 2.636 235 HB3 HIS 35 2HB HIS 35 6.885 0.884 2.668 236 HD1 HIS 35 HD1 HIS 35 7.161 -0.754 4.818 237 HD2 HIS 35 HD2 HIS 35 3.321 0.579 3.955 238 HE1 HIS 35 HE1 HIS 35 5.616 -2.315 6.043 239 H MET 36 H MET 36 6.300 4.481 2.654 240 HA MET 36 HA MET 36 8.508 4.482 0.953 241 HB2 MET 36 1HB MET 36 6.847 6.839 1.862 242 HB3 MET 36 2HB MET 36 7.911 6.822 0.462 243 HG2 MET 36 1HG MET 36 6.455 4.810 -0.292 244 HG3 MET 36 2HG MET 36 5.292 5.455 0.864 245 HE1 MET 36 3HE MET 36 5.510 9.164 -0.261 246 HE2 MET 36 1HE MET 36 3.966 8.348 -0.012 247 HE3 MET 36 2HE MET 36 5.316 8.030 1.077 248 H GLY 37 H GLY 37 10.499 5.463 0.988 249 HA2 GLY 37 1HA GLY 37 11.267 7.216 3.150 250 HA3 GLY 37 2HA GLY 37 11.984 5.614 3.250 251 H GLU 38 H GLU 38 11.603 8.389 1.070 252 HA GLU 38 HA GLU 38 14.388 8.131 0.293 253 HB2 GLU 38 1HB GLU 38 12.750 6.788 -1.286 254 HB3 GLU 38 2HB GLU 38 12.437 8.383 -1.956 255 HG2 GLU 38 1HG GLU 38 14.693 8.657 -2.605 256 HG3 GLU 38 2HG GLU 38 15.205 7.254 -1.668 257 H LYS 39 H LYS 39 15.106 9.989 -1.043 258 HA LYS 39 HA LYS 39 14.074 12.426 0.049 259 HB2 LYS 39 1HB LYS 39 16.261 11.789 -1.921 260 HB3 LYS 39 2HB LYS 39 15.811 13.446 -1.543 261 HG2 LYS 39 1HG LYS 39 17.505 13.160 -0.057 262 HG3 LYS 39 2HG LYS 39 16.152 12.609 0.934 263 HD2 LYS 39 1HD LYS 39 17.810 10.970 1.215 264 HD3 LYS 39 2HD LYS 39 16.680 10.272 0.052 265 HE2 LYS 39 1HE LYS 39 18.708 9.814 -0.941 266 HE3 LYS 39 2HE LYS 39 18.275 11.339 -1.712 267 HZ1 LYS 39 3HZ LYS 39 19.671 12.483 -0.067 268 HZ2 LYS 39 1HZ LYS 39 20.559 11.398 -1.013 269 HZ3 LYS 39 2HZ LYS 39 20.139 10.989 0.573 270 H CYS 40 H CYS 40 14.456 11.289 -3.314 271 HA CYS 40 HA CYS 40 12.336 13.159 -4.107 272 HB2 CYS 40 1HB CYS 40 14.544 11.808 -5.651 273 HB3 CYS 40 2HB CYS 40 13.191 12.592 -6.456 274 HG CYS 40 HG CYS 40 15.834 13.957 -4.890 275 H SER 41 H SER 41 10.374 12.310 -4.223 276 HA SER 41 HA SER 41 9.949 9.480 -4.461 277 HB2 SER 41 1HB SER 41 8.119 11.863 -4.254 278 HB3 SER 41 2HB SER 41 7.488 10.248 -4.572 279 HG SER 41 HG SER 41 7.614 9.962 -2.504 280 H GLY 42 H GLY 42 10.591 8.730 -6.436 281 HA2 GLY 42 1HA GLY 42 10.587 8.392 -8.711 282 HA3 GLY 42 2HA GLY 42 8.870 8.747 -8.581 283 HA PRO 43 HA PRO 43 11.035 11.943 -11.252 284 HB2 PRO 43 1HB PRO 43 9.563 11.497 -13.489 285 HB3 PRO 43 2HB PRO 43 11.055 10.620 -13.130 286 HG2 PRO 43 1HG PRO 43 8.214 9.771 -12.721 287 HG3 PRO 43 2HG PRO 43 9.581 8.836 -13.356 288 HD2 PRO 43 1HD PRO 43 8.713 8.596 -10.803 289 HD3 PRO 43 2HD PRO 43 10.418 8.395 -11.255 290 H SER 44 H SER 44 10.211 13.767 -10.376 291 HA SER 44 HA SER 44 7.344 14.218 -10.312 292 HB2 SER 44 1HB SER 44 7.789 16.041 -8.888 293 HB3 SER 44 2HB SER 44 9.009 14.846 -8.448 294 HG SER 44 HG SER 44 10.324 16.456 -8.802 295 H SER 45 H SER 45 6.243 15.316 -11.793 296 HA SER 45 HA SER 45 7.727 17.086 -13.621 297 HB2 SER 45 1HB SER 45 6.928 14.850 -14.599 298 HB3 SER 45 2HB SER 45 5.297 15.506 -14.455 299 HG SER 45 HG SER 45 7.404 16.818 -15.826 300 H GLY 46 H GLY 46 7.150 18.868 -12.286 301 HA2 GLY 46 1HA GLY 46 5.772 20.814 -12.421 302 HA3 GLY 46 2HA GLY 46 4.399 19.777 -12.780 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.637 -29.329 -13.225 2 HA2 GLY 1 1HA GLY 1 2.705 -27.613 -11.685 3 HA3 GLY 1 2HA GLY 1 1.848 -26.606 -12.843 4 H SER 2 H SER 2 1.644 -28.175 -9.903 5 HA SER 2 HA SER 2 -1.205 -28.653 -9.939 6 HB2 SER 2 1HB SER 2 0.164 -30.128 -8.596 7 HB3 SER 2 2HB SER 2 0.833 -28.761 -7.704 8 HG SER 2 HG SER 2 -1.067 -28.486 -6.673 9 H SER 3 H SER 3 1.012 -26.328 -8.438 10 HA SER 3 HA SER 3 -0.496 -24.855 -6.802 11 HB2 SER 3 1HB SER 3 0.853 -22.976 -7.265 12 HB3 SER 3 2HB SER 3 1.866 -24.354 -7.696 13 HG SER 3 HG SER 3 1.201 -22.335 -9.228 14 H GLY 4 H GLY 4 -1.949 -23.095 -6.923 15 HA2 GLY 4 1HA GLY 4 -3.205 -22.582 -9.519 16 HA3 GLY 4 2HA GLY 4 -4.218 -23.223 -8.233 17 H SER 5 H SER 5 -5.517 -21.569 -7.712 18 HA SER 5 HA SER 5 -4.239 -18.997 -7.050 19 HB2 SER 5 1HB SER 5 -5.862 -19.053 -9.031 20 HB3 SER 5 2HB SER 5 -7.134 -19.315 -7.838 21 HG SER 5 HG SER 5 -5.370 -17.212 -7.376 22 H SER 6 H SER 6 -3.937 -19.211 -4.887 23 HA SER 6 HA SER 6 -5.911 -20.373 -3.161 24 HB2 SER 6 1HB SER 6 -3.557 -20.564 -2.583 25 HB3 SER 6 2HB SER 6 -3.393 -18.809 -2.543 26 HG SER 6 HG SER 6 -4.977 -18.853 -0.820 27 H GLY 7 H GLY 7 -4.709 -17.073 -3.729 28 HA2 GLY 7 1HA GLY 7 -5.930 -15.092 -3.635 29 HA3 GLY 7 2HA GLY 7 -7.309 -16.000 -3.034 30 H SER 8 H SER 8 -6.054 -13.462 -2.118 31 HA SER 8 HA SER 8 -4.629 -13.776 0.251 32 HB2 SER 8 1HB SER 8 -6.629 -11.623 -0.479 33 HB3 SER 8 2HB SER 8 -5.472 -11.521 0.848 34 HG SER 8 HG SER 8 -3.803 -11.555 -0.635 35 H GLY 9 H GLY 9 -8.148 -13.517 -0.224 36 HA2 GLY 9 1HA GLY 9 -9.167 -15.347 1.376 37 HA3 GLY 9 2HA GLY 9 -8.577 -14.215 2.583 38 H GLU 10 H GLU 10 -9.296 -11.870 2.148 39 HA GLU 10 HA GLU 10 -12.170 -11.948 1.521 40 HB2 GLU 10 1HB GLU 10 -11.135 -11.234 3.857 41 HB3 GLU 10 2HB GLU 10 -10.951 -9.688 3.039 42 HG2 GLU 10 1HG GLU 10 -13.005 -9.375 3.932 43 HG3 GLU 10 2HG GLU 10 -13.482 -10.133 2.414 44 H LYS 11 H LYS 11 -13.105 -9.998 0.562 45 HA LYS 11 HA LYS 11 -11.553 -9.121 -1.681 46 HB2 LYS 11 1HB LYS 11 -14.049 -9.580 -1.676 47 HB3 LYS 11 2HB LYS 11 -14.242 -8.059 -0.813 48 HG2 LYS 11 1HG LYS 11 -13.155 -6.893 -2.701 49 HG3 LYS 11 2HG LYS 11 -13.090 -8.428 -3.571 50 HD2 LYS 11 1HD LYS 11 -15.557 -8.578 -3.403 51 HD3 LYS 11 2HD LYS 11 -15.573 -6.987 -2.639 52 HE2 LYS 11 1HE LYS 11 -14.347 -7.478 -5.341 53 HE3 LYS 11 2HE LYS 11 -16.048 -7.065 -5.133 54 HZ1 LYS 11 3HZ LYS 11 -13.673 -5.409 -4.745 55 HZ2 LYS 11 1HZ LYS 11 -14.989 -5.133 -3.718 56 HZ3 LYS 11 2HZ LYS 11 -15.181 -5.000 -5.394 57 H SER 12 H SER 12 -10.153 -8.304 0.469 58 HA SER 12 HA SER 12 -10.487 -5.385 0.374 59 HB2 SER 12 1HB SER 12 -9.813 -5.243 2.748 60 HB3 SER 12 2HB SER 12 -11.317 -6.142 2.549 61 HG SER 12 HG SER 12 -8.857 -6.990 3.447 62 H HIS 13 H HIS 13 -8.700 -4.332 -0.201 63 HA HIS 13 HA HIS 13 -6.393 -5.593 -1.081 64 HB2 HIS 13 1HB HIS 13 -6.675 -2.737 -0.122 65 HB3 HIS 13 2HB HIS 13 -5.371 -3.356 -1.131 66 HD1 HIS 13 HD1 HIS 13 -5.849 -3.669 -3.619 67 HD2 HIS 13 HD2 HIS 13 -9.160 -2.429 -1.439 68 HE1 HIS 13 HE1 HIS 13 -7.573 -3.015 -5.329 69 H THR 14 H THR 14 -4.366 -5.946 -0.230 70 HA THR 14 HA THR 14 -4.029 -5.451 2.651 71 HB THR 14 HB THR 14 -3.312 -8.011 1.209 72 HG1 THR 14 HG1 THR 14 -4.845 -8.699 3.058 73 HG21 THR 14 3HG2 THR 14 -2.335 -8.796 3.170 74 HG22 THR 14 1HG2 THR 14 -3.110 -7.565 4.167 75 HG23 THR 14 2HG2 THR 14 -1.777 -7.125 3.099 76 H CYS 15 H CYS 15 -2.110 -4.620 3.226 77 HA CYS 15 HA CYS 15 -0.271 -3.791 1.214 78 HB2 CYS 15 1HB CYS 15 -0.789 -2.551 3.355 79 HB3 CYS 15 2HB CYS 15 0.176 -3.757 4.201 80 H ASP 16 H ASP 16 1.145 -5.091 0.269 81 HA ASP 16 HA ASP 16 1.973 -7.573 1.422 82 HB2 ASP 16 1HB ASP 16 3.346 -6.290 -0.921 83 HB3 ASP 16 2HB ASP 16 3.049 -7.999 -0.609 84 H GLU 17 H GLU 17 3.073 -4.368 1.665 85 HA GLU 17 HA GLU 17 5.846 -4.836 2.035 86 HB2 GLU 17 1HB GLU 17 4.120 -2.574 3.060 87 HB3 GLU 17 2HB GLU 17 5.878 -2.583 3.034 88 HG2 GLU 17 1HG GLU 17 4.395 -3.019 0.491 89 HG3 GLU 17 2HG GLU 17 4.508 -1.390 1.155 90 H CYS 18 H CYS 18 3.134 -4.494 4.301 91 HA CYS 18 HA CYS 18 4.849 -5.669 6.391 92 HB2 CYS 18 1HB CYS 18 3.502 -4.438 8.047 93 HB3 CYS 18 2HB CYS 18 4.308 -3.349 6.922 94 H GLY 19 H GLY 19 1.574 -5.456 5.069 95 HA2 GLY 19 1HA GLY 19 0.446 -7.635 4.754 96 HA3 GLY 19 2HA GLY 19 0.991 -8.043 6.374 97 H LYS 20 H LYS 20 -0.106 -4.826 5.749 98 HA LYS 20 HA LYS 20 -2.216 -5.110 7.675 99 HB2 LYS 20 1HB LYS 20 -1.045 -2.870 6.092 100 HB3 LYS 20 2HB LYS 20 -2.661 -2.658 6.753 101 HG2 LYS 20 1HG LYS 20 -0.477 -3.613 8.540 102 HG3 LYS 20 2HG LYS 20 -0.556 -1.905 8.101 103 HD2 LYS 20 1HD LYS 20 -2.891 -1.842 8.908 104 HD3 LYS 20 2HD LYS 20 -2.736 -3.526 9.417 105 HE2 LYS 20 1HE LYS 20 -0.864 -1.386 10.387 106 HE3 LYS 20 2HE LYS 20 -2.397 -1.719 11.191 107 HZ1 LYS 20 3HZ LYS 20 -1.655 -3.680 11.995 108 HZ2 LYS 20 1HZ LYS 20 -0.148 -2.924 11.854 109 HZ3 LYS 20 2HZ LYS 20 -0.667 -4.003 10.660 110 H ASN 21 H ASN 21 -4.440 -4.275 7.199 111 HA ASN 21 HA ASN 21 -5.312 -5.128 4.516 112 HB2 ASN 21 1HB ASN 21 -6.599 -5.600 7.204 113 HB3 ASN 21 2HB ASN 21 -7.481 -5.778 5.690 114 HD21 ASN 21 1HD2 ASN 21 -7.215 -7.577 4.493 115 HD22 ASN 21 2HD2 ASN 21 -6.182 -8.892 4.930 116 H PHE 22 H PHE 22 -6.866 -3.917 3.486 117 HA PHE 22 HA PHE 22 -8.050 -1.643 4.867 118 HB2 PHE 22 1HB PHE 22 -6.448 -1.274 2.329 119 HB3 PHE 22 2HB PHE 22 -7.286 -0.019 3.235 120 HD1 PHE 22 HD1 PHE 22 -6.392 0.811 5.333 121 HD2 PHE 22 HD2 PHE 22 -4.343 -2.164 3.081 122 HE1 PHE 22 HE1 PHE 22 -4.356 1.220 6.652 123 HE2 PHE 22 HE2 PHE 22 -2.304 -1.761 4.398 124 HZ PHE 22 HZ PHE 22 -2.309 -0.068 6.186 125 H CYS 23 H CYS 23 -10.142 -1.904 4.470 126 HA CYS 23 HA CYS 23 -11.323 -3.435 2.520 127 HB2 CYS 23 1HB CYS 23 -12.321 -2.157 4.592 128 HB3 CYS 23 2HB CYS 23 -12.689 -0.920 3.396 129 HG CYS 23 HG CYS 23 -13.658 -3.887 2.316 130 H TYR 24 H TYR 24 -10.540 0.018 2.380 131 HA TYR 24 HA TYR 24 -11.182 -0.016 -0.493 132 HB2 TYR 24 1HB TYR 24 -10.969 2.601 -0.015 133 HB3 TYR 24 2HB TYR 24 -12.469 1.720 0.255 134 HD1 TYR 24 HD2 TYR 24 -12.966 0.900 2.614 135 HD2 TYR 24 HD1 TYR 24 -9.906 3.727 1.748 136 HE1 TYR 24 HE2 TYR 24 -12.965 1.612 4.968 137 HE2 TYR 24 HE1 TYR 24 -9.896 4.446 4.101 138 HH TYR 24 HH TYR 24 -11.525 4.425 6.039 139 H ILE 25 H ILE 25 -9.597 0.231 -1.932 140 HA ILE 25 HA ILE 25 -6.930 -0.009 -1.387 141 HB ILE 25 HB ILE 25 -7.986 -0.181 -3.651 142 HG12 ILE 25 1HG1 ILE 25 -5.995 0.808 -4.857 143 HG13 ILE 25 2HG1 ILE 25 -5.486 1.482 -3.313 144 HG21 ILE 25 1HG2 ILE 25 -7.624 2.804 -3.776 145 HG22 ILE 25 2HG2 ILE 25 -8.343 1.748 -4.990 146 HG23 ILE 25 3HG2 ILE 25 -9.174 2.025 -3.460 147 HD11 ILE 25 3HD1 ILE 25 -5.968 -1.230 -2.838 148 HD12 ILE 25 1HD1 ILE 25 -5.096 -1.149 -4.368 149 HD13 ILE 25 2HD1 ILE 25 -4.411 -0.407 -2.922 150 H SER 26 H SER 26 -8.697 3.033 -1.915 151 HA SER 26 HA SER 26 -6.747 4.897 -1.835 152 HB2 SER 26 1HB SER 26 -8.950 5.706 -2.015 153 HB3 SER 26 2HB SER 26 -9.463 4.898 -0.534 154 HG SER 26 HG SER 26 -8.381 7.360 -0.866 155 H ALA 27 H ALA 27 -8.172 3.356 1.036 156 HA ALA 27 HA ALA 27 -6.683 4.692 2.977 157 HB1 ALA 27 3HB ALA 27 -7.066 2.094 3.942 158 HB2 ALA 27 1HB ALA 27 -8.093 3.503 4.211 159 HB3 ALA 27 2HB ALA 27 -8.428 2.411 2.867 160 H LEU 28 H LEU 28 -6.029 1.515 1.492 161 HA LEU 28 HA LEU 28 -3.660 0.909 2.752 162 HB2 LEU 28 1HB LEU 28 -4.535 -0.766 1.407 163 HB3 LEU 28 2HB LEU 28 -4.723 0.309 0.023 164 HG LEU 28 HG LEU 28 -2.290 0.283 -0.312 165 HD11 LEU 28 1HD1 LEU 28 -1.477 -1.937 1.171 166 HD12 LEU 28 2HD1 LEU 28 -2.335 -0.899 2.309 167 HD13 LEU 28 3HD1 LEU 28 -0.974 -0.261 1.388 168 HD21 LEU 28 3HD2 LEU 28 -2.201 -1.805 -1.345 169 HD22 LEU 28 1HD2 LEU 28 -3.926 -1.442 -1.283 170 HD23 LEU 28 2HD2 LEU 28 -3.218 -2.562 -0.118 171 H ARG 29 H ARG 29 -4.097 2.809 -0.220 172 HA ARG 29 HA ARG 29 -1.426 3.293 -0.806 173 HB2 ARG 29 1HB ARG 29 -3.698 5.244 -1.206 174 HB3 ARG 29 2HB ARG 29 -2.187 5.184 -2.103 175 HG2 ARG 29 1HG ARG 29 -4.228 2.974 -2.100 176 HG3 ARG 29 2HG ARG 29 -4.150 4.253 -3.313 177 HD2 ARG 29 1HD ARG 29 -2.015 2.216 -2.694 178 HD3 ARG 29 2HD ARG 29 -3.028 2.276 -4.135 179 HE ARG 29 HE ARG 29 -0.696 3.876 -3.579 180 HH11 ARG 29 1HH1 ARG 29 -3.622 3.586 -5.441 181 HH12 ARG 29 2HH1 ARG 29 -3.070 4.624 -6.714 182 HH21 ARG 29 1HH2 ARG 29 0.043 5.244 -5.248 183 HH22 ARG 29 2HH2 ARG 29 -0.985 5.566 -6.603 184 H ILE 30 H ILE 30 -3.619 5.077 1.329 185 HA ILE 30 HA ILE 30 -1.875 7.183 1.967 186 HB ILE 30 HB ILE 30 -4.081 5.976 3.640 187 HG12 ILE 30 1HG1 ILE 30 -4.180 8.506 2.006 188 HG13 ILE 30 2HG1 ILE 30 -4.611 6.942 1.323 189 HG21 ILE 30 1HG2 ILE 30 -3.428 8.791 4.042 190 HG22 ILE 30 2HG2 ILE 30 -3.736 7.518 5.222 191 HG23 ILE 30 3HG2 ILE 30 -2.132 7.691 4.510 192 HD11 ILE 30 3HD1 ILE 30 -6.311 6.709 3.125 193 HD12 ILE 30 1HD1 ILE 30 -5.948 8.366 3.606 194 HD13 ILE 30 2HD1 ILE 30 -6.608 8.037 2.004 195 H HIS 31 H HIS 31 -2.367 4.016 3.467 196 HA HIS 31 HA HIS 31 -0.630 4.438 5.661 197 HB2 HIS 31 1HB HIS 31 -2.054 2.650 6.012 198 HB3 HIS 31 2HB HIS 31 -1.872 2.045 4.368 199 HD1 HIS 31 HD1 HIS 31 -0.047 2.127 7.673 200 HD2 HIS 31 HD2 HIS 31 0.049 0.109 4.042 201 HE1 HIS 31 HE1 HIS 31 1.589 0.244 7.992 202 H GLN 32 H GLN 32 -0.154 2.901 2.496 203 HA GLN 32 HA GLN 32 2.362 1.904 2.697 204 HB2 GLN 32 1HB GLN 32 1.044 3.376 0.428 205 HB3 GLN 32 2HB GLN 32 2.656 2.690 0.266 206 HG2 GLN 32 1HG GLN 32 1.558 0.501 1.069 207 HG3 GLN 32 2HG GLN 32 0.042 1.292 0.641 208 HE21 GLN 32 1HE2 GLN 32 -0.074 2.174 -1.581 209 HE22 GLN 32 2HE2 GLN 32 0.678 1.272 -2.848 210 H ARG 33 H ARG 33 1.454 5.282 2.529 211 HA ARG 33 HA ARG 33 3.745 6.575 1.866 212 HB2 ARG 33 1HB ARG 33 1.867 7.262 4.134 213 HB3 ARG 33 2HB ARG 33 3.069 8.361 3.471 214 HG2 ARG 33 1HG ARG 33 1.927 8.085 1.244 215 HG3 ARG 33 2HG ARG 33 0.635 7.251 2.108 216 HD2 ARG 33 1HD ARG 33 -0.152 9.420 2.051 217 HD3 ARG 33 2HD ARG 33 0.644 9.361 3.623 218 HE ARG 33 HE ARG 33 2.459 10.247 1.650 219 HH11 ARG 33 1HH1 ARG 33 -0.324 11.295 3.461 220 HH12 ARG 33 2HH1 ARG 33 0.102 12.973 3.393 221 HH21 ARG 33 1HH2 ARG 33 3.030 12.453 1.554 222 HH22 ARG 33 2HH2 ARG 33 2.009 13.631 2.307 223 H VAL 34 H VAL 34 3.045 5.005 4.947 224 HA VAL 34 HA VAL 34 5.268 5.905 6.392 225 HB VAL 34 HB VAL 34 4.876 4.127 7.923 226 HG11 VAL 34 1HG1 VAL 34 3.011 5.915 7.364 227 HG12 VAL 34 2HG1 VAL 34 2.101 4.471 6.915 228 HG13 VAL 34 3HG1 VAL 34 2.741 4.639 8.551 229 HG21 VAL 34 3HG2 VAL 34 4.883 2.221 6.496 230 HG22 VAL 34 1HG2 VAL 34 3.327 2.241 7.327 231 HG23 VAL 34 2HG2 VAL 34 3.437 2.772 5.649 232 H HIS 35 H HIS 35 4.883 3.183 4.181 233 HA HIS 35 HA HIS 35 7.444 2.046 4.682 234 HB2 HIS 35 1HB HIS 35 5.456 1.724 2.437 235 HB3 HIS 35 2HB HIS 35 6.992 0.863 2.466 236 HD1 HIS 35 HD1 HIS 35 7.332 -0.739 4.626 237 HD2 HIS 35 HD2 HIS 35 3.453 0.511 3.822 238 HE1 HIS 35 HE1 HIS 35 5.841 -2.310 5.904 239 H MET 36 H MET 36 6.194 4.363 2.338 240 HA MET 36 HA MET 36 8.232 4.520 0.521 241 HB2 MET 36 1HB MET 36 6.360 6.544 1.664 242 HB3 MET 36 2HB MET 36 7.669 7.104 0.632 243 HG2 MET 36 1HG MET 36 5.834 6.825 -0.788 244 HG3 MET 36 2HG MET 36 6.861 5.422 -1.074 245 HE1 MET 36 3HE MET 36 3.580 6.431 -1.210 246 HE2 MET 36 1HE MET 36 3.957 5.012 -2.188 247 HE3 MET 36 2HE MET 36 2.674 4.935 -0.979 248 H GLY 37 H GLY 37 10.353 4.739 0.753 249 HA2 GLY 37 1HA GLY 37 11.364 6.665 2.729 250 HA3 GLY 37 2HA GLY 37 11.976 5.018 2.761 251 H GLU 38 H GLU 38 12.279 4.437 0.110 252 HA GLU 38 HA GLU 38 14.711 5.753 -0.496 253 HB2 GLU 38 1HB GLU 38 13.021 3.681 -1.798 254 HB3 GLU 38 2HB GLU 38 14.191 4.518 -2.808 255 HG2 GLU 38 1HG GLU 38 15.944 3.899 -1.130 256 HG3 GLU 38 2HG GLU 38 14.734 2.888 -0.343 257 H LYS 39 H LYS 39 15.208 7.331 -1.946 258 HA LYS 39 HA LYS 39 13.359 9.308 -2.547 259 HB2 LYS 39 1HB LYS 39 15.971 9.311 -2.613 260 HB3 LYS 39 2HB LYS 39 15.751 8.872 -4.302 261 HG2 LYS 39 1HG LYS 39 15.948 11.176 -4.369 262 HG3 LYS 39 2HG LYS 39 14.201 10.922 -4.413 263 HD2 LYS 39 1HD LYS 39 14.492 11.093 -1.781 264 HD3 LYS 39 2HD LYS 39 15.914 12.028 -2.250 265 HE2 LYS 39 1HE LYS 39 13.247 12.600 -3.481 266 HE3 LYS 39 2HE LYS 39 13.648 13.241 -1.889 267 HZ1 LYS 39 3HZ LYS 39 15.681 14.202 -2.932 268 HZ2 LYS 39 1HZ LYS 39 14.229 14.870 -3.487 269 HZ3 LYS 39 2HZ LYS 39 15.065 13.753 -4.443 270 H CYS 40 H CYS 40 14.780 6.956 -4.825 271 HA CYS 40 HA CYS 40 14.079 6.207 -6.859 272 HB2 CYS 40 1HB CYS 40 11.511 6.376 -5.298 273 HB3 CYS 40 2HB CYS 40 11.536 5.783 -6.954 274 HG CYS 40 HG CYS 40 11.661 3.397 -5.932 275 H SER 41 H SER 41 14.667 8.850 -6.973 276 HA SER 41 HA SER 41 12.639 10.558 -7.883 277 HB2 SER 41 1HB SER 41 15.572 10.594 -8.636 278 HB3 SER 41 2HB SER 41 14.444 11.940 -8.790 279 HG SER 41 HG SER 41 14.980 12.405 -6.822 280 H GLY 42 H GLY 42 11.479 10.555 -9.689 281 HA2 GLY 42 1HA GLY 42 10.709 9.903 -11.759 282 HA3 GLY 42 2HA GLY 42 12.345 10.285 -12.274 283 HA PRO 43 HA PRO 43 12.184 5.527 -11.318 284 HB2 PRO 43 1HB PRO 43 9.695 4.457 -11.149 285 HB3 PRO 43 2HB PRO 43 10.577 5.064 -9.743 286 HG2 PRO 43 1HG PRO 43 8.430 6.393 -11.350 287 HG3 PRO 43 2HG PRO 43 8.642 6.344 -9.591 288 HD2 PRO 43 1HD PRO 43 9.357 8.486 -11.085 289 HD3 PRO 43 2HD PRO 43 10.225 8.019 -9.608 290 H SER 44 H SER 44 9.251 6.572 -13.068 291 HA SER 44 HA SER 44 10.358 5.495 -15.539 292 HB2 SER 44 1HB SER 44 8.004 4.369 -14.107 293 HB3 SER 44 2HB SER 44 7.893 4.506 -15.861 294 HG SER 44 HG SER 44 10.233 3.422 -14.814 295 H SER 45 H SER 45 9.127 6.160 -17.446 296 HA SER 45 HA SER 45 8.359 8.894 -17.269 297 HB2 SER 45 1HB SER 45 9.425 7.564 -19.258 298 HB3 SER 45 2HB SER 45 7.750 7.202 -19.671 299 HG SER 45 HG SER 45 9.150 9.513 -19.978 300 H GLY 46 H GLY 46 6.371 9.849 -17.366 301 HA2 GLY 46 1HA GLY 46 4.059 10.018 -17.483 302 HA3 GLY 46 2HA GLY 46 3.985 8.309 -17.887 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -9.261 -32.691 -2.945 2 HA2 GLY 1 1HA GLY 1 -9.854 -31.565 -5.523 3 HA3 GLY 1 2HA GLY 1 -10.688 -31.219 -4.015 4 H SER 2 H SER 2 -7.965 -30.378 -6.052 5 HA SER 2 HA SER 2 -7.149 -28.189 -4.352 6 HB2 SER 2 1HB SER 2 -6.263 -28.965 -7.141 7 HB3 SER 2 2HB SER 2 -5.515 -27.713 -6.151 8 HG SER 2 HG SER 2 -4.796 -30.153 -6.180 9 H SER 3 H SER 3 -9.803 -27.895 -4.978 10 HA SER 3 HA SER 3 -10.059 -26.061 -7.206 11 HB2 SER 3 1HB SER 3 -12.064 -26.987 -5.135 12 HB3 SER 3 2HB SER 3 -12.446 -25.944 -6.505 13 HG SER 3 HG SER 3 -12.298 -28.601 -6.440 14 H GLY 4 H GLY 4 -10.477 -25.912 -3.670 15 HA2 GLY 4 1HA GLY 4 -9.210 -23.775 -2.870 16 HA3 GLY 4 2HA GLY 4 -10.450 -22.982 -3.831 17 H SER 5 H SER 5 -11.124 -21.908 -1.894 18 HA SER 5 HA SER 5 -12.502 -23.633 0.046 19 HB2 SER 5 1HB SER 5 -12.431 -21.746 1.578 20 HB3 SER 5 2HB SER 5 -10.812 -22.046 0.946 21 HG SER 5 HG SER 5 -12.352 -19.833 0.734 22 H SER 6 H SER 6 -13.730 -23.312 -2.415 23 HA SER 6 HA SER 6 -15.681 -22.699 -3.418 24 HB2 SER 6 1HB SER 6 -16.589 -23.824 -1.407 25 HB3 SER 6 2HB SER 6 -16.590 -22.278 -0.559 26 HG SER 6 HG SER 6 -17.904 -22.456 -3.023 27 H GLY 7 H GLY 7 -13.788 -20.665 -3.317 28 HA2 GLY 7 1HA GLY 7 -15.491 -18.370 -3.660 29 HA3 GLY 7 2HA GLY 7 -14.409 -18.223 -2.283 30 H SER 8 H SER 8 -14.157 -16.375 -4.195 31 HA SER 8 HA SER 8 -11.824 -17.221 -5.782 32 HB2 SER 8 1HB SER 8 -13.999 -16.229 -6.872 33 HB3 SER 8 2HB SER 8 -13.326 -14.687 -6.343 34 HG SER 8 HG SER 8 -11.630 -16.444 -7.688 35 H GLY 9 H GLY 9 -11.467 -16.638 -3.086 36 HA2 GLY 9 1HA GLY 9 -9.746 -15.529 -1.959 37 HA3 GLY 9 2HA GLY 9 -9.621 -14.406 -3.304 38 H GLU 10 H GLU 10 -9.528 -13.540 -0.676 39 HA GLU 10 HA GLU 10 -12.057 -12.692 0.296 40 HB2 GLU 10 1HB GLU 10 -9.852 -12.901 1.586 41 HB3 GLU 10 2HB GLU 10 -9.434 -11.339 0.895 42 HG2 GLU 10 1HG GLU 10 -11.355 -10.320 1.950 43 HG3 GLU 10 2HG GLU 10 -11.869 -11.885 2.578 44 H LYS 11 H LYS 11 -12.739 -10.428 0.507 45 HA LYS 11 HA LYS 11 -12.159 -8.934 -1.962 46 HB2 LYS 11 1HB LYS 11 -14.556 -9.807 -1.246 47 HB3 LYS 11 2HB LYS 11 -14.550 -8.339 -0.277 48 HG2 LYS 11 1HG LYS 11 -13.844 -8.182 -3.168 49 HG3 LYS 11 2HG LYS 11 -15.537 -8.332 -2.689 50 HD2 LYS 11 1HD LYS 11 -15.291 -6.348 -1.259 51 HD3 LYS 11 2HD LYS 11 -13.610 -6.193 -1.777 52 HE2 LYS 11 1HE LYS 11 -14.349 -5.883 -4.085 53 HE3 LYS 11 2HE LYS 11 -16.028 -6.059 -3.578 54 HZ1 LYS 11 3HZ LYS 11 -15.075 -3.713 -3.869 55 HZ2 LYS 11 1HZ LYS 11 -14.309 -3.981 -2.384 56 HZ3 LYS 11 2HZ LYS 11 -15.996 -4.034 -2.487 57 H SER 12 H SER 12 -10.229 -8.450 -0.309 58 HA SER 12 HA SER 12 -10.663 -5.718 0.522 59 HB2 SER 12 1HB SER 12 -10.146 -7.926 2.493 60 HB3 SER 12 2HB SER 12 -9.552 -6.295 2.809 61 HG SER 12 HG SER 12 -11.939 -5.818 2.169 62 H HIS 13 H HIS 13 -8.795 -4.513 0.547 63 HA HIS 13 HA HIS 13 -6.509 -5.719 -0.740 64 HB2 HIS 13 1HB HIS 13 -6.799 -2.874 0.235 65 HB3 HIS 13 2HB HIS 13 -5.663 -3.480 -0.968 66 HD1 HIS 13 HD1 HIS 13 -6.586 -3.942 -3.343 67 HD2 HIS 13 HD2 HIS 13 -9.388 -2.391 -0.697 68 HE1 HIS 13 HE1 HIS 13 -8.535 -3.236 -4.766 69 H THR 14 H THR 14 -4.448 -5.922 0.091 70 HA THR 14 HA THR 14 -4.088 -5.337 2.948 71 HB THR 14 HB THR 14 -3.351 -7.946 1.608 72 HG1 THR 14 HG1 THR 14 -4.821 -8.547 3.560 73 HG21 THR 14 3HG2 THR 14 -1.750 -7.009 3.367 74 HG22 THR 14 1HG2 THR 14 -2.370 -8.638 3.632 75 HG23 THR 14 2HG2 THR 14 -3.052 -7.278 4.525 76 H CYS 15 H CYS 15 -2.147 -4.502 3.476 77 HA CYS 15 HA CYS 15 -0.377 -3.693 1.389 78 HB2 CYS 15 1HB CYS 15 -0.857 -2.391 3.496 79 HB3 CYS 15 2HB CYS 15 0.129 -3.563 4.364 80 H ASP 16 H ASP 16 0.895 -5.131 0.414 81 HA ASP 16 HA ASP 16 1.832 -7.517 1.634 82 HB2 ASP 16 1HB ASP 16 2.653 -6.108 -0.912 83 HB3 ASP 16 2HB ASP 16 3.267 -7.686 -0.427 84 H GLU 17 H GLU 17 2.861 -4.320 1.867 85 HA GLU 17 HA GLU 17 5.668 -4.727 2.111 86 HB2 GLU 17 1HB GLU 17 4.021 -2.486 3.290 87 HB3 GLU 17 2HB GLU 17 5.748 -2.469 2.965 88 HG2 GLU 17 1HG GLU 17 4.973 -2.939 0.507 89 HG3 GLU 17 2HG GLU 17 3.460 -2.239 1.080 90 H CYS 18 H CYS 18 3.042 -4.375 4.480 91 HA CYS 18 HA CYS 18 4.840 -5.536 6.507 92 HB2 CYS 18 1HB CYS 18 3.514 -4.297 8.203 93 HB3 CYS 18 2HB CYS 18 4.348 -3.232 7.077 94 H GLY 19 H GLY 19 1.476 -5.278 5.408 95 HA2 GLY 19 1HA GLY 19 0.374 -7.509 5.136 96 HA3 GLY 19 2HA GLY 19 0.943 -7.850 6.764 97 H LYS 20 H LYS 20 -0.172 -4.663 6.009 98 HA LYS 20 HA LYS 20 -2.270 -4.891 7.967 99 HB2 LYS 20 1HB LYS 20 -1.119 -2.676 6.319 100 HB3 LYS 20 2HB LYS 20 -2.696 -2.452 7.064 101 HG2 LYS 20 1HG LYS 20 -0.415 -3.404 8.731 102 HG3 LYS 20 2HG LYS 20 -0.529 -1.697 8.298 103 HD2 LYS 20 1HD LYS 20 -2.851 -1.695 9.212 104 HD3 LYS 20 2HD LYS 20 -2.579 -3.345 9.776 105 HE2 LYS 20 1HE LYS 20 -2.084 -2.086 11.655 106 HE3 LYS 20 2HE LYS 20 -0.493 -2.338 10.938 107 HZ1 LYS 20 3HZ LYS 20 -2.122 0.110 11.016 108 HZ2 LYS 20 1HZ LYS 20 -0.996 -0.104 9.772 109 HZ3 LYS 20 2HZ LYS 20 -0.484 -0.097 11.383 110 H ASN 21 H ASN 21 -4.496 -4.173 7.523 111 HA ASN 21 HA ASN 21 -5.370 -4.992 4.829 112 HB2 ASN 21 1HB ASN 21 -6.649 -5.470 7.521 113 HB3 ASN 21 2HB ASN 21 -7.529 -5.660 6.007 114 HD21 ASN 21 1HD2 ASN 21 -7.120 -7.401 4.708 115 HD22 ASN 21 2HD2 ASN 21 -6.124 -8.728 5.191 116 H PHE 22 H PHE 22 -6.841 -3.740 3.769 117 HA PHE 22 HA PHE 22 -8.071 -1.492 5.166 118 HB2 PHE 22 1HB PHE 22 -6.490 -1.095 2.621 119 HB3 PHE 22 2HB PHE 22 -7.294 0.147 3.575 120 HD1 PHE 22 HD2 PHE 22 -4.445 -2.169 3.451 121 HD2 PHE 22 HD1 PHE 22 -6.283 1.058 5.530 122 HE1 PHE 22 HE2 PHE 22 -2.375 -1.820 4.734 123 HE2 PHE 22 HE1 PHE 22 -4.216 1.413 6.816 124 HZ PHE 22 HZ PHE 22 -2.258 -0.028 6.419 125 H CYS 23 H CYS 23 -10.161 -1.758 4.761 126 HA CYS 23 HA CYS 23 -11.346 -3.291 2.825 127 HB2 CYS 23 1HB CYS 23 -12.427 -0.747 4.056 128 HB3 CYS 23 2HB CYS 23 -13.393 -1.939 3.194 129 HG CYS 23 HG CYS 23 -14.060 -2.640 5.656 130 H TYR 24 H TYR 24 -10.548 0.159 2.628 131 HA TYR 24 HA TYR 24 -11.197 0.094 -0.239 132 HB2 TYR 24 1HB TYR 24 -10.853 2.705 0.191 133 HB3 TYR 24 2HB TYR 24 -12.387 1.900 0.503 134 HD1 TYR 24 HD2 TYR 24 -12.621 0.909 2.950 135 HD2 TYR 24 HD1 TYR 24 -9.959 4.041 1.849 136 HE1 TYR 24 HE2 TYR 24 -12.541 1.656 5.292 137 HE2 TYR 24 HE1 TYR 24 -9.871 4.796 4.188 138 HH TYR 24 HH TYR 24 -11.094 4.649 6.218 139 H ILE 25 H ILE 25 -9.601 0.109 -1.672 140 HA ILE 25 HA ILE 25 -6.943 -0.177 -1.141 141 HB ILE 25 HB ILE 25 -8.083 -0.421 -3.385 142 HG12 ILE 25 1HG1 ILE 25 -6.009 0.325 -4.654 143 HG13 ILE 25 2HG1 ILE 25 -5.422 0.983 -3.130 144 HG21 ILE 25 1HG2 ILE 25 -8.270 1.443 -4.840 145 HG22 ILE 25 2HG2 ILE 25 -9.042 1.904 -3.324 146 HG23 ILE 25 3HG2 ILE 25 -7.426 2.497 -3.707 147 HD11 ILE 25 3HD1 ILE 25 -6.005 -1.893 -3.777 148 HD12 ILE 25 1HD1 ILE 25 -4.438 -1.156 -3.442 149 HD13 ILE 25 2HD1 ILE 25 -5.637 -1.302 -2.157 150 H SER 26 H SER 26 -8.652 2.875 -1.736 151 HA SER 26 HA SER 26 -6.612 4.674 -1.826 152 HB2 SER 26 1HB SER 26 -9.246 4.973 -1.736 153 HB3 SER 26 2HB SER 26 -8.914 5.355 -0.047 154 HG SER 26 HG SER 26 -7.227 6.814 -1.066 155 H ALA 27 H ALA 27 -8.068 3.333 1.125 156 HA ALA 27 HA ALA 27 -6.574 4.740 3.002 157 HB1 ALA 27 3HB ALA 27 -6.990 2.086 3.955 158 HB2 ALA 27 1HB ALA 27 -7.852 3.565 4.380 159 HB3 ALA 27 2HB ALA 27 -8.399 2.584 3.020 160 H LEU 28 H LEU 28 -5.866 1.612 1.466 161 HA LEU 28 HA LEU 28 -3.503 1.025 2.811 162 HB2 LEU 28 1HB LEU 28 -4.343 -0.711 1.539 163 HB3 LEU 28 2HB LEU 28 -4.597 0.312 0.127 164 HG LEU 28 HG LEU 28 -2.104 0.375 -0.158 165 HD11 LEU 28 1HD1 LEU 28 -1.452 -2.019 1.178 166 HD12 LEU 28 2HD1 LEU 28 -2.214 -0.958 2.362 167 HD13 LEU 28 3HD1 LEU 28 -0.805 -0.402 1.459 168 HD21 LEU 28 3HD2 LEU 28 -2.145 -2.266 -0.686 169 HD22 LEU 28 1HD2 LEU 28 -2.920 -1.050 -1.702 170 HD23 LEU 28 2HD2 LEU 28 -3.873 -1.953 -0.524 171 H ARG 29 H ARG 29 -3.990 2.859 -0.190 172 HA ARG 29 HA ARG 29 -1.312 3.334 -0.804 173 HB2 ARG 29 1HB ARG 29 -3.613 5.229 -1.297 174 HB3 ARG 29 2HB ARG 29 -2.097 5.156 -2.185 175 HG2 ARG 29 1HG ARG 29 -4.005 2.842 -2.086 176 HG3 ARG 29 2HG ARG 29 -4.132 4.128 -3.289 177 HD2 ARG 29 1HD ARG 29 -1.691 2.418 -2.826 178 HD3 ARG 29 2HD ARG 29 -2.879 2.160 -4.104 179 HE ARG 29 HE ARG 29 -0.832 4.202 -4.009 180 HH11 ARG 29 1HH1 ARG 29 -3.804 3.119 -5.464 181 HH12 ARG 29 2HH1 ARG 29 -3.596 4.064 -6.901 182 HH21 ARG 29 1HH2 ARG 29 -0.547 5.449 -5.897 183 HH22 ARG 29 2HH2 ARG 29 -1.743 5.388 -7.147 184 H ILE 30 H ILE 30 -3.522 5.092 1.316 185 HA ILE 30 HA ILE 30 -1.824 7.280 1.851 186 HB ILE 30 HB ILE 30 -4.019 6.101 3.559 187 HG12 ILE 30 1HG1 ILE 30 -4.152 8.571 1.837 188 HG13 ILE 30 2HG1 ILE 30 -4.548 6.977 1.203 189 HG21 ILE 30 1HG2 ILE 30 -2.469 8.667 3.782 190 HG22 ILE 30 2HG2 ILE 30 -4.049 8.443 4.532 191 HG23 ILE 30 3HG2 ILE 30 -2.696 7.414 5.002 192 HD11 ILE 30 3HD1 ILE 30 -5.910 8.365 3.499 193 HD12 ILE 30 1HD1 ILE 30 -6.547 8.162 1.867 194 HD13 ILE 30 2HD1 ILE 30 -6.298 6.753 2.898 195 H HIS 31 H HIS 31 -2.127 4.091 3.288 196 HA HIS 31 HA HIS 31 -0.406 4.664 5.511 197 HB2 HIS 31 1HB HIS 31 -1.813 2.922 6.043 198 HB3 HIS 31 2HB HIS 31 -1.763 2.243 4.419 199 HD1 HIS 31 HD1 HIS 31 0.370 2.465 7.540 200 HD2 HIS 31 HD2 HIS 31 -0.011 0.171 4.097 201 HE1 HIS 31 HE1 HIS 31 1.946 0.529 7.844 202 H GLN 32 H GLN 32 -0.048 2.975 2.413 203 HA GLN 32 HA GLN 32 2.472 1.946 2.628 204 HB2 GLN 32 1HB GLN 32 1.123 3.258 0.274 205 HB3 GLN 32 2HB GLN 32 2.687 2.464 0.142 206 HG2 GLN 32 1HG GLN 32 1.490 0.429 1.172 207 HG3 GLN 32 2HG GLN 32 0.009 1.266 0.713 208 HE21 GLN 32 1HE2 GLN 32 -0.067 1.997 -1.591 209 HE22 GLN 32 2HE2 GLN 32 0.566 0.919 -2.783 210 H ARG 33 H ARG 33 1.560 5.282 2.462 211 HA ARG 33 HA ARG 33 3.822 6.531 1.526 212 HB2 ARG 33 1HB ARG 33 2.029 7.368 3.811 213 HB3 ARG 33 2HB ARG 33 3.213 8.419 3.046 214 HG2 ARG 33 1HG ARG 33 1.987 7.965 0.869 215 HG3 ARG 33 2HG ARG 33 0.707 7.269 1.865 216 HD2 ARG 33 1HD ARG 33 0.024 9.472 1.592 217 HD3 ARG 33 2HD ARG 33 0.816 9.490 3.167 218 HE ARG 33 HE ARG 33 2.361 10.933 2.312 219 HH11 ARG 33 1HH1 ARG 33 0.797 9.286 -0.326 220 HH12 ARG 33 2HH1 ARG 33 1.583 10.226 -1.551 221 HH21 ARG 33 1HH2 ARG 33 3.402 12.178 0.709 222 HH22 ARG 33 2HH2 ARG 33 3.065 11.871 -0.960 223 H VAL 34 H VAL 34 3.263 5.122 4.704 224 HA VAL 34 HA VAL 34 5.547 6.126 5.997 225 HB VAL 34 HB VAL 34 5.207 4.471 7.669 226 HG11 VAL 34 1HG1 VAL 34 3.115 5.061 8.348 227 HG12 VAL 34 2HG1 VAL 34 3.315 6.220 7.033 228 HG13 VAL 34 3HG1 VAL 34 2.391 4.740 6.772 229 HG21 VAL 34 3HG2 VAL 34 3.610 2.965 5.601 230 HG22 VAL 34 1HG2 VAL 34 5.148 2.484 6.317 231 HG23 VAL 34 2HG2 VAL 34 3.691 2.534 7.309 232 H HIS 35 H HIS 35 5.034 3.209 4.066 233 HA HIS 35 HA HIS 35 7.576 2.062 4.521 234 HB2 HIS 35 1HB HIS 35 5.557 1.714 2.306 235 HB3 HIS 35 2HB HIS 35 7.058 0.796 2.373 236 HD1 HIS 35 HD1 HIS 35 7.339 -0.755 4.558 237 HD2 HIS 35 HD2 HIS 35 3.517 0.686 3.797 238 HE1 HIS 35 HE1 HIS 35 5.794 -2.196 5.922 239 H MET 36 H MET 36 6.386 4.404 2.193 240 HA MET 36 HA MET 36 8.333 4.422 0.277 241 HB2 MET 36 1HB MET 36 7.016 6.818 1.566 242 HB3 MET 36 2HB MET 36 7.906 6.860 0.050 243 HG2 MET 36 1HG MET 36 6.294 5.295 -0.927 244 HG3 MET 36 2HG MET 36 5.394 5.294 0.588 245 HE1 MET 36 3HE MET 36 2.991 7.057 -1.670 246 HE2 MET 36 1HE MET 36 4.325 6.718 -2.773 247 HE3 MET 36 2HE MET 36 3.866 5.530 -1.553 248 H GLY 37 H GLY 37 10.474 4.511 0.375 249 HA2 GLY 37 1HA GLY 37 11.896 6.532 1.739 250 HA3 GLY 37 2HA GLY 37 11.948 5.053 2.686 251 H GLU 38 H GLU 38 11.998 3.230 0.493 252 HA GLU 38 HA GLU 38 14.315 3.912 -1.104 253 HB2 GLU 38 1HB GLU 38 15.668 2.029 -0.322 254 HB3 GLU 38 2HB GLU 38 15.347 3.161 0.983 255 HG2 GLU 38 1HG GLU 38 15.021 1.123 1.999 256 HG3 GLU 38 2HG GLU 38 13.381 1.589 1.553 257 H LYS 39 H LYS 39 14.154 2.999 -3.047 258 HA LYS 39 HA LYS 39 12.472 0.596 -3.329 259 HB2 LYS 39 1HB LYS 39 12.574 3.061 -5.062 260 HB3 LYS 39 2HB LYS 39 11.901 1.539 -5.630 261 HG2 LYS 39 1HG LYS 39 10.091 1.653 -4.209 262 HG3 LYS 39 2HG LYS 39 10.912 2.733 -3.081 263 HD2 LYS 39 1HD LYS 39 9.417 4.159 -4.125 264 HD3 LYS 39 2HD LYS 39 10.887 4.406 -5.070 265 HE2 LYS 39 1HE LYS 39 8.989 2.286 -5.936 266 HE3 LYS 39 2HE LYS 39 8.548 3.969 -6.223 267 HZ1 LYS 39 3HZ LYS 39 9.715 3.617 -8.103 268 HZ2 LYS 39 1HZ LYS 39 10.644 2.365 -7.445 269 HZ3 LYS 39 2HZ LYS 39 11.041 3.976 -7.116 270 H CYS 40 H CYS 40 13.390 -1.070 -4.348 271 HA CYS 40 HA CYS 40 16.110 -0.869 -5.235 272 HB2 CYS 40 1HB CYS 40 14.970 -2.864 -4.061 273 HB3 CYS 40 2HB CYS 40 14.331 -3.261 -5.651 274 HG CYS 40 HG CYS 40 17.469 -3.563 -4.467 275 H SER 41 H SER 41 12.994 -1.518 -6.807 276 HA SER 41 HA SER 41 13.582 -2.137 -9.331 277 HB2 SER 41 1HB SER 41 11.666 -0.769 -10.089 278 HB3 SER 41 2HB SER 41 11.297 -1.650 -8.607 279 HG SER 41 HG SER 41 10.662 0.316 -8.063 280 H GLY 42 H GLY 42 15.067 -1.481 -10.729 281 HA2 GLY 42 1HA GLY 42 16.205 1.186 -10.512 282 HA3 GLY 42 2HA GLY 42 16.782 -0.116 -11.542 283 HA PRO 43 HA PRO 43 14.955 1.798 -15.032 284 HB2 PRO 43 1HB PRO 43 14.267 -0.354 -16.537 285 HB3 PRO 43 2HB PRO 43 15.942 0.161 -16.307 286 HG2 PRO 43 1HG PRO 43 14.423 -2.016 -14.923 287 HG3 PRO 43 2HG PRO 43 16.084 -2.031 -15.545 288 HD2 PRO 43 1HD PRO 43 15.513 -1.671 -12.922 289 HD3 PRO 43 2HD PRO 43 16.916 -0.917 -13.706 290 H SER 44 H SER 44 12.994 2.398 -15.922 291 HA SER 44 HA SER 44 10.658 1.720 -14.377 292 HB2 SER 44 1HB SER 44 10.898 3.503 -16.813 293 HB3 SER 44 2HB SER 44 9.529 3.431 -15.703 294 HG SER 44 HG SER 44 10.694 5.096 -14.954 295 H SER 45 H SER 45 8.542 1.555 -15.841 296 HA SER 45 HA SER 45 9.023 -0.558 -17.838 297 HB2 SER 45 1HB SER 45 7.040 -1.733 -17.044 298 HB3 SER 45 2HB SER 45 8.167 -1.501 -15.708 299 HG SER 45 HG SER 45 6.116 -0.944 -15.016 300 H GLY 46 H GLY 46 8.071 -0.271 -19.757 301 HA2 GLY 46 1HA GLY 46 6.474 2.115 -20.164 302 HA3 GLY 46 2HA GLY 46 7.081 1.038 -21.413 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.968 -37.489 -0.933 2 HA2 GLY 1 1HA GLY 1 -13.653 -36.351 -2.452 3 HA3 GLY 1 2HA GLY 1 -14.647 -37.208 -3.620 4 H SER 2 H SER 2 -16.881 -36.127 -3.948 5 HA SER 2 HA SER 2 -16.340 -33.327 -4.574 6 HB2 SER 2 1HB SER 2 -18.338 -33.479 -6.005 7 HB3 SER 2 2HB SER 2 -17.189 -34.764 -6.377 8 HG SER 2 HG SER 2 -18.637 -36.174 -5.821 9 H SER 3 H SER 3 -16.648 -33.675 -1.892 10 HA SER 3 HA SER 3 -19.389 -33.180 -1.123 11 HB2 SER 3 1HB SER 3 -18.516 -33.049 1.154 12 HB3 SER 3 2HB SER 3 -17.858 -34.467 0.338 13 HG SER 3 HG SER 3 -16.009 -33.031 -0.156 14 H GLY 4 H GLY 4 -16.362 -31.332 -1.268 15 HA2 GLY 4 1HA GLY 4 -16.485 -29.027 -2.057 16 HA3 GLY 4 2HA GLY 4 -17.990 -28.871 -1.164 17 H SER 5 H SER 5 -15.008 -27.767 -1.142 18 HA SER 5 HA SER 5 -14.477 -28.091 1.712 19 HB2 SER 5 1HB SER 5 -12.888 -26.969 -0.588 20 HB3 SER 5 2HB SER 5 -12.404 -26.685 1.084 21 HG SER 5 HG SER 5 -12.566 -29.123 -0.324 22 H SER 6 H SER 6 -14.429 -26.400 3.170 23 HA SER 6 HA SER 6 -16.147 -24.172 2.524 24 HB2 SER 6 1HB SER 6 -16.226 -25.418 4.715 25 HB3 SER 6 2HB SER 6 -14.674 -24.683 5.116 26 HG SER 6 HG SER 6 -15.665 -22.648 4.960 27 H GLY 7 H GLY 7 -15.398 -22.392 1.594 28 HA2 GLY 7 1HA GLY 7 -13.146 -20.984 2.670 29 HA3 GLY 7 2HA GLY 7 -12.789 -21.704 1.107 30 H SER 8 H SER 8 -14.430 -19.183 2.789 31 HA SER 8 HA SER 8 -14.898 -17.814 0.262 32 HB2 SER 8 1HB SER 8 -17.208 -17.349 0.659 33 HB3 SER 8 2HB SER 8 -17.006 -19.088 0.866 34 HG SER 8 HG SER 8 -17.496 -17.105 2.779 35 H GLY 9 H GLY 9 -15.465 -15.511 0.588 36 HA2 GLY 9 1HA GLY 9 -15.390 -14.191 3.039 37 HA3 GLY 9 2HA GLY 9 -13.729 -14.317 2.480 38 H GLU 10 H GLU 10 -13.717 -11.993 2.404 39 HA GLU 10 HA GLU 10 -15.057 -10.943 -0.002 40 HB2 GLU 10 1HB GLU 10 -15.910 -10.038 2.200 41 HB3 GLU 10 2HB GLU 10 -14.323 -9.318 2.433 42 HG2 GLU 10 1HG GLU 10 -14.607 -7.998 0.411 43 HG3 GLU 10 2HG GLU 10 -16.183 -8.739 0.138 44 H LYS 11 H LYS 11 -13.906 -9.403 -1.242 45 HA LYS 11 HA LYS 11 -11.065 -9.871 -1.284 46 HB2 LYS 11 1HB LYS 11 -12.941 -8.271 -3.014 47 HB3 LYS 11 2HB LYS 11 -11.198 -8.224 -3.246 48 HG2 LYS 11 1HG LYS 11 -11.106 -10.348 -4.062 49 HG3 LYS 11 2HG LYS 11 -12.515 -10.882 -3.142 50 HD2 LYS 11 1HD LYS 11 -12.920 -8.837 -5.262 51 HD3 LYS 11 2HD LYS 11 -12.617 -10.502 -5.763 52 HE2 LYS 11 1HE LYS 11 -14.887 -10.579 -5.583 53 HE3 LYS 11 2HE LYS 11 -14.457 -10.999 -3.925 54 HZ1 LYS 11 3HZ LYS 11 -14.900 -8.808 -3.208 55 HZ2 LYS 11 1HZ LYS 11 -16.213 -9.254 -4.177 56 HZ3 LYS 11 2HZ LYS 11 -15.022 -8.221 -4.790 57 H SER 12 H SER 12 -9.727 -8.800 0.002 58 HA SER 12 HA SER 12 -10.232 -5.936 0.475 59 HB2 SER 12 1HB SER 12 -9.216 -8.011 2.425 60 HB3 SER 12 2HB SER 12 -9.124 -6.275 2.718 61 HG SER 12 HG SER 12 -11.549 -7.605 2.111 62 H HIS 13 H HIS 13 -8.394 -4.595 0.681 63 HA HIS 13 HA HIS 13 -6.113 -5.552 -0.843 64 HB2 HIS 13 1HB HIS 13 -6.583 -2.780 0.264 65 HB3 HIS 13 2HB HIS 13 -5.455 -3.243 -1.006 66 HD1 HIS 13 HD1 HIS 13 -6.495 -3.840 -3.343 67 HD2 HIS 13 HD2 HIS 13 -9.182 -2.321 -0.562 68 HE1 HIS 13 HE1 HIS 13 -8.539 -3.202 -4.662 69 H THR 14 H THR 14 -4.466 -6.478 0.162 70 HA THR 14 HA THR 14 -3.855 -5.680 2.927 71 HB THR 14 HB THR 14 -3.126 -8.207 1.434 72 HG1 THR 14 HG1 THR 14 -5.346 -7.669 2.507 73 HG21 THR 14 3HG2 THR 14 -1.423 -7.313 3.124 74 HG22 THR 14 1HG2 THR 14 -1.991 -8.967 3.349 75 HG23 THR 14 2HG2 THR 14 -2.637 -7.668 4.352 76 H CYS 15 H CYS 15 -1.982 -4.709 3.401 77 HA CYS 15 HA CYS 15 -0.277 -3.778 1.335 78 HB2 CYS 15 1HB CYS 15 -0.717 -2.594 3.505 79 HB3 CYS 15 2HB CYS 15 0.289 -3.798 4.304 80 H ASP 16 H ASP 16 1.468 -4.669 0.450 81 HA ASP 16 HA ASP 16 2.365 -7.259 1.390 82 HB2 ASP 16 1HB ASP 16 2.008 -6.685 -1.050 83 HB3 ASP 16 2HB ASP 16 3.448 -5.675 -0.943 84 H GLU 17 H GLU 17 3.162 -4.079 2.018 85 HA GLU 17 HA GLU 17 6.007 -4.380 2.265 86 HB2 GLU 17 1HB GLU 17 4.255 -2.246 3.490 87 HB3 GLU 17 2HB GLU 17 5.987 -2.160 3.203 88 HG2 GLU 17 1HG GLU 17 4.106 -2.566 0.921 89 HG3 GLU 17 2HG GLU 17 4.360 -0.957 1.595 90 H CYS 18 H CYS 18 3.253 -4.368 4.491 91 HA CYS 18 HA CYS 18 5.020 -5.522 6.547 92 HB2 CYS 18 1HB CYS 18 3.582 -4.408 8.250 93 HB3 CYS 18 2HB CYS 18 4.465 -3.274 7.233 94 H GLY 19 H GLY 19 1.767 -5.365 5.186 95 HA2 GLY 19 1HA GLY 19 0.727 -7.589 4.813 96 HA3 GLY 19 2HA GLY 19 1.211 -7.975 6.458 97 H LYS 20 H LYS 20 0.233 -4.772 6.212 98 HA LYS 20 HA LYS 20 -1.969 -5.090 7.916 99 HB2 LYS 20 1HB LYS 20 -0.921 -2.852 6.233 100 HB3 LYS 20 2HB LYS 20 -2.515 -2.693 6.960 101 HG2 LYS 20 1HG LYS 20 -0.264 -3.530 8.705 102 HG3 LYS 20 2HG LYS 20 -0.337 -1.847 8.180 103 HD2 LYS 20 1HD LYS 20 -2.623 -1.683 9.062 104 HD3 LYS 20 2HD LYS 20 -2.528 -3.361 9.603 105 HE2 LYS 20 1HE LYS 20 -0.589 -1.240 10.496 106 HE3 LYS 20 2HE LYS 20 -2.089 -1.585 11.355 107 HZ1 LYS 20 3HZ LYS 20 -0.628 -2.930 12.456 108 HZ2 LYS 20 1HZ LYS 20 0.321 -3.237 11.089 109 HZ3 LYS 20 2HZ LYS 20 -1.173 -4.009 11.273 110 H ASN 21 H ASN 21 -4.208 -4.195 7.331 111 HA ASN 21 HA ASN 21 -5.037 -5.223 4.699 112 HB2 ASN 21 1HB ASN 21 -5.594 -6.726 6.692 113 HB3 ASN 21 2HB ASN 21 -6.723 -5.469 7.187 114 HD21 ASN 21 1HD2 ASN 21 -5.912 -7.708 4.606 115 HD22 ASN 21 2HD2 ASN 21 -7.506 -7.818 3.949 116 H PHE 22 H PHE 22 -6.676 -4.124 3.649 117 HA PHE 22 HA PHE 22 -7.981 -1.884 4.946 118 HB2 PHE 22 1HB PHE 22 -6.300 -1.401 2.481 119 HB3 PHE 22 2HB PHE 22 -7.198 -0.203 3.407 120 HD1 PHE 22 HD2 PHE 22 -4.218 -2.327 3.325 121 HD2 PHE 22 HD1 PHE 22 -6.345 0.666 5.478 122 HE1 PHE 22 HE2 PHE 22 -2.222 -1.902 4.700 123 HE2 PHE 22 HE1 PHE 22 -4.353 1.096 6.856 124 HZ PHE 22 HZ PHE 22 -2.288 -0.190 6.469 125 H CYS 23 H CYS 23 -10.033 -2.251 4.435 126 HA CYS 23 HA CYS 23 -10.971 -3.801 2.332 127 HB2 CYS 23 1HB CYS 23 -12.170 -2.836 4.461 128 HB3 CYS 23 2HB CYS 23 -12.622 -1.529 3.373 129 HG CYS 23 HG CYS 23 -13.860 -3.316 1.525 130 H TYR 24 H TYR 24 -10.455 -0.309 2.504 131 HA TYR 24 HA TYR 24 -11.171 -0.089 -0.337 132 HB2 TYR 24 1HB TYR 24 -10.886 2.469 0.369 133 HB3 TYR 24 2HB TYR 24 -12.385 1.586 0.637 134 HD1 TYR 24 HD2 TYR 24 -12.631 0.425 2.952 135 HD2 TYR 24 HD1 TYR 24 -9.849 3.543 2.150 136 HE1 TYR 24 HE2 TYR 24 -12.493 0.912 5.359 137 HE2 TYR 24 HE1 TYR 24 -9.702 4.038 4.555 138 HH TYR 24 HH TYR 24 -10.812 1.971 6.928 139 H ILE 25 H ILE 25 -9.594 0.010 -1.778 140 HA ILE 25 HA ILE 25 -6.913 -0.172 -1.321 141 HB ILE 25 HB ILE 25 -8.101 -0.355 -3.550 142 HG12 ILE 25 1HG1 ILE 25 -6.103 0.412 -4.834 143 HG13 ILE 25 2HG1 ILE 25 -5.520 1.215 -3.380 144 HG21 ILE 25 1HG2 ILE 25 -8.349 1.589 -4.915 145 HG22 ILE 25 2HG2 ILE 25 -9.171 1.895 -3.385 146 HG23 ILE 25 3HG2 ILE 25 -7.589 2.609 -3.694 147 HD11 ILE 25 3HD1 ILE 25 -6.115 -1.488 -2.740 148 HD12 ILE 25 1HD1 ILE 25 -5.118 -1.454 -4.194 149 HD13 ILE 25 2HD1 ILE 25 -4.558 -0.659 -2.722 150 H SER 26 H SER 26 -8.756 2.831 -1.782 151 HA SER 26 HA SER 26 -6.833 4.731 -1.821 152 HB2 SER 26 1HB SER 26 -9.421 4.766 -0.257 153 HB3 SER 26 2HB SER 26 -8.416 6.192 -0.511 154 HG SER 26 HG SER 26 -8.766 6.016 -2.712 155 H ALA 27 H ALA 27 -8.074 3.163 1.116 156 HA ALA 27 HA ALA 27 -6.565 4.545 2.998 157 HB1 ALA 27 3HB ALA 27 -8.147 2.130 2.929 158 HB2 ALA 27 1HB ALA 27 -6.742 1.949 3.980 159 HB3 ALA 27 2HB ALA 27 -7.883 3.267 4.252 160 H LEU 28 H LEU 28 -5.807 1.379 1.530 161 HA LEU 28 HA LEU 28 -3.363 0.896 2.642 162 HB2 LEU 28 1HB LEU 28 -4.224 -0.773 1.265 163 HB3 LEU 28 2HB LEU 28 -4.452 0.332 -0.089 164 HG LEU 28 HG LEU 28 -1.976 0.417 -0.353 165 HD11 LEU 28 1HD1 LEU 28 -0.702 -0.322 1.304 166 HD12 LEU 28 2HD1 LEU 28 -1.221 -1.961 0.910 167 HD13 LEU 28 3HD1 LEU 28 -2.093 -1.029 2.127 168 HD21 LEU 28 3HD2 LEU 28 -1.942 -2.209 -0.937 169 HD22 LEU 28 1HD2 LEU 28 -2.755 -0.998 -1.929 170 HD23 LEU 28 2HD2 LEU 28 -3.679 -1.955 -0.771 171 H ARG 29 H ARG 29 -3.982 2.828 -0.279 172 HA ARG 29 HA ARG 29 -1.365 3.481 -0.920 173 HB2 ARG 29 1HB ARG 29 -3.749 5.316 -1.203 174 HB3 ARG 29 2HB ARG 29 -2.266 5.358 -2.147 175 HG2 ARG 29 1HG ARG 29 -4.207 3.059 -2.140 176 HG3 ARG 29 2HG ARG 29 -4.194 4.357 -3.336 177 HD2 ARG 29 1HD ARG 29 -1.884 2.505 -2.761 178 HD3 ARG 29 2HD ARG 29 -3.016 2.323 -4.101 179 HE ARG 29 HE ARG 29 -0.864 4.244 -3.881 180 HH11 ARG 29 1HH1 ARG 29 -3.809 3.337 -5.502 181 HH12 ARG 29 2HH1 ARG 29 -3.471 4.274 -6.919 182 HH21 ARG 29 1HH2 ARG 29 -0.408 5.482 -5.742 183 HH22 ARG 29 2HH2 ARG 29 -1.536 5.493 -7.055 184 H ILE 30 H ILE 30 -3.591 5.106 1.309 185 HA ILE 30 HA ILE 30 -1.886 7.255 1.962 186 HB ILE 30 HB ILE 30 -4.096 6.008 3.600 187 HG12 ILE 30 1HG1 ILE 30 -4.265 8.579 2.056 188 HG13 ILE 30 2HG1 ILE 30 -4.541 7.039 1.250 189 HG21 ILE 30 1HG2 ILE 30 -3.039 8.799 3.906 190 HG22 ILE 30 2HG2 ILE 30 -4.054 7.873 5.010 191 HG23 ILE 30 3HG2 ILE 30 -2.355 7.446 4.807 192 HD11 ILE 30 3HD1 ILE 30 -6.116 8.280 3.479 193 HD12 ILE 30 1HD1 ILE 30 -6.658 7.845 1.859 194 HD13 ILE 30 2HD1 ILE 30 -6.278 6.582 3.030 195 H HIS 31 H HIS 31 -2.240 4.012 3.273 196 HA HIS 31 HA HIS 31 -0.541 4.458 5.530 197 HB2 HIS 31 1HB HIS 31 -1.950 2.680 5.929 198 HB3 HIS 31 2HB HIS 31 -1.851 2.091 4.272 199 HD1 HIS 31 HD1 HIS 31 0.123 2.103 7.492 200 HD2 HIS 31 HD2 HIS 31 0.008 0.117 3.844 201 HE1 HIS 31 HE1 HIS 31 1.732 0.184 7.720 202 H GLN 32 H GLN 32 -0.103 3.212 2.269 203 HA GLN 32 HA GLN 32 2.424 2.102 2.482 204 HB2 GLN 32 1HB GLN 32 0.984 3.477 0.238 205 HB3 GLN 32 2HB GLN 32 2.645 2.941 0.026 206 HG2 GLN 32 1HG GLN 32 1.819 0.657 0.813 207 HG3 GLN 32 2HG GLN 32 0.198 1.291 0.536 208 HE21 GLN 32 1HE2 GLN 32 0.034 2.446 -1.681 209 HE22 GLN 32 2HE2 GLN 32 0.672 1.555 -3.017 210 H ARG 33 H ARG 33 1.469 5.418 2.594 211 HA ARG 33 HA ARG 33 3.823 6.694 1.807 212 HB2 ARG 33 1HB ARG 33 1.818 7.540 3.906 213 HB3 ARG 33 2HB ARG 33 3.039 8.588 3.198 214 HG2 ARG 33 1HG ARG 33 2.002 8.183 0.972 215 HG3 ARG 33 2HG ARG 33 0.711 7.302 1.792 216 HD2 ARG 33 1HD ARG 33 0.009 9.576 1.372 217 HD3 ARG 33 2HD ARG 33 0.203 9.324 3.106 218 HE ARG 33 HE ARG 33 2.606 10.333 2.226 219 HH11 ARG 33 1HH1 ARG 33 -0.717 11.368 2.230 220 HH12 ARG 33 2HH1 ARG 33 -0.328 13.055 2.308 221 HH21 ARG 33 1HH2 ARG 33 3.132 12.550 2.328 222 HH22 ARG 33 2HH2 ARG 33 1.862 13.726 2.362 223 H VAL 34 H VAL 34 3.012 5.024 4.749 224 HA VAL 34 HA VAL 34 5.061 6.101 6.388 225 HB VAL 34 HB VAL 34 4.607 4.316 7.918 226 HG11 VAL 34 1HG1 VAL 34 2.835 6.129 7.384 227 HG12 VAL 34 2HG1 VAL 34 1.922 4.789 6.686 228 HG13 VAL 34 3HG1 VAL 34 2.381 4.753 8.389 229 HG21 VAL 34 3HG2 VAL 34 4.517 2.294 6.909 230 HG22 VAL 34 1HG2 VAL 34 2.781 2.601 6.947 231 HG23 VAL 34 2HG2 VAL 34 3.701 2.923 5.477 232 H HIS 35 H HIS 35 4.965 3.548 4.018 233 HA HIS 35 HA HIS 35 7.517 2.441 4.799 234 HB2 HIS 35 1HB HIS 35 5.730 1.911 2.418 235 HB3 HIS 35 2HB HIS 35 7.231 1.046 2.738 236 HD1 HIS 35 HD1 HIS 35 7.253 -0.368 5.033 237 HD2 HIS 35 HD2 HIS 35 3.535 0.898 3.680 238 HE1 HIS 35 HE1 HIS 35 5.574 -1.780 6.263 239 H MET 36 H MET 36 6.995 5.305 3.701 240 HA MET 36 HA MET 36 8.755 5.307 1.382 241 HB2 MET 36 1HB MET 36 7.336 7.574 2.793 242 HB3 MET 36 2HB MET 36 8.272 7.733 1.312 243 HG2 MET 36 1HG MET 36 5.787 6.068 1.643 244 HG3 MET 36 2HG MET 36 5.871 7.655 0.882 245 HE1 MET 36 3HE MET 36 5.637 6.280 -2.550 246 HE2 MET 36 1HE MET 36 4.639 6.692 -1.155 247 HE3 MET 36 2HE MET 36 5.895 7.803 -1.699 248 H GLY 37 H GLY 37 10.825 4.934 1.996 249 HA2 GLY 37 1HA GLY 37 11.914 6.306 4.330 250 HA3 GLY 37 2HA GLY 37 12.723 5.070 3.377 251 H GLU 38 H GLU 38 13.908 7.499 4.233 252 HA GLU 38 HA GLU 38 13.923 9.379 2.074 253 HB2 GLU 38 1HB GLU 38 14.550 9.655 4.632 254 HB3 GLU 38 2HB GLU 38 16.156 9.241 4.049 255 HG2 GLU 38 1HG GLU 38 14.594 11.395 2.700 256 HG3 GLU 38 2HG GLU 38 15.436 11.725 4.213 257 H LYS 39 H LYS 39 16.360 7.092 3.319 258 HA LYS 39 HA LYS 39 17.596 7.105 0.643 259 HB2 LYS 39 1HB LYS 39 18.936 8.015 2.629 260 HB3 LYS 39 2HB LYS 39 19.012 6.351 3.193 261 HG2 LYS 39 1HG LYS 39 20.356 5.676 1.435 262 HG3 LYS 39 2HG LYS 39 19.885 7.041 0.420 263 HD2 LYS 39 1HD LYS 39 22.086 7.508 1.121 264 HD3 LYS 39 2HD LYS 39 21.048 8.520 2.128 265 HE2 LYS 39 1HE LYS 39 21.254 6.997 3.970 266 HE3 LYS 39 2HE LYS 39 22.109 5.827 2.968 267 HZ1 LYS 39 3HZ LYS 39 23.516 8.211 2.798 268 HZ2 LYS 39 1HZ LYS 39 23.988 6.789 3.585 269 HZ3 LYS 39 2HZ LYS 39 23.159 7.992 4.437 270 H CYS 40 H CYS 40 16.858 5.092 3.468 271 HA CYS 40 HA CYS 40 16.869 2.798 3.707 272 HB2 CYS 40 1HB CYS 40 15.118 1.768 2.401 273 HB3 CYS 40 2HB CYS 40 14.628 3.408 2.806 274 HG CYS 40 HG CYS 40 15.715 4.227 0.144 275 H SER 41 H SER 41 19.220 3.601 2.415 276 HA SER 41 HA SER 41 19.584 1.621 0.279 277 HB2 SER 41 1HB SER 41 20.272 3.984 -0.157 278 HB3 SER 41 2HB SER 41 21.467 3.833 1.131 279 HG SER 41 HG SER 41 22.674 2.589 -0.109 280 H GLY 42 H GLY 42 19.721 -0.238 1.566 281 HA2 GLY 42 1HA GLY 42 22.102 -1.285 2.220 282 HA3 GLY 42 2HA GLY 42 21.716 -0.370 3.670 283 HA PRO 43 HA PRO 43 18.479 -3.971 3.153 284 HB2 PRO 43 1HB PRO 43 19.372 -6.060 1.668 285 HB3 PRO 43 2HB PRO 43 18.447 -4.720 0.982 286 HG2 PRO 43 1HG PRO 43 21.404 -5.187 0.961 287 HG3 PRO 43 2HG PRO 43 20.351 -4.622 -0.350 288 HD2 PRO 43 1HD PRO 43 21.883 -2.939 1.117 289 HD3 PRO 43 2HD PRO 43 20.311 -2.459 0.446 290 H SER 44 H SER 44 19.292 -4.056 5.333 291 HA SER 44 HA SER 44 20.579 -6.589 5.917 292 HB2 SER 44 1HB SER 44 21.752 -4.012 6.987 293 HB3 SER 44 2HB SER 44 22.327 -5.646 7.315 294 HG SER 44 HG SER 44 23.589 -5.159 5.677 295 H SER 45 H SER 45 20.534 -7.081 8.260 296 HA SER 45 HA SER 45 18.267 -5.729 9.573 297 HB2 SER 45 1HB SER 45 18.027 -8.191 8.747 298 HB3 SER 45 2HB SER 45 19.014 -8.580 10.156 299 HG SER 45 HG SER 45 16.834 -6.889 10.544 300 H GLY 46 H GLY 46 21.223 -7.613 10.203 301 HA2 GLY 46 1HA GLY 46 22.929 -6.966 11.697 302 HA3 GLY 46 2HA GLY 46 21.812 -5.835 12.447 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -5.532 -28.444 -25.407 2 HA2 GLY 1 1HA GLY 1 -3.558 -26.755 -25.487 3 HA3 GLY 1 2HA GLY 1 -5.103 -26.175 -24.883 4 H SER 2 H SER 2 -4.605 -24.797 -23.294 5 HA SER 2 HA SER 2 -3.057 -25.845 -21.036 6 HB2 SER 2 1HB SER 2 -2.484 -23.365 -22.613 7 HB3 SER 2 2HB SER 2 -2.150 -23.375 -20.881 8 HG SER 2 HG SER 2 -0.991 -24.905 -22.931 9 H SER 3 H SER 3 -3.259 -24.290 -19.109 10 HA SER 3 HA SER 3 -6.089 -23.767 -18.744 11 HB2 SER 3 1HB SER 3 -4.471 -24.910 -17.054 12 HB3 SER 3 2HB SER 3 -3.986 -23.262 -16.656 13 HG SER 3 HG SER 3 -5.652 -23.403 -15.362 14 H GLY 4 H GLY 4 -6.917 -21.770 -17.914 15 HA2 GLY 4 1HA GLY 4 -5.273 -19.413 -17.882 16 HA3 GLY 4 2HA GLY 4 -6.288 -19.510 -19.313 17 H SER 5 H SER 5 -6.157 -17.917 -16.608 18 HA SER 5 HA SER 5 -9.043 -18.126 -16.047 19 HB2 SER 5 1HB SER 5 -6.713 -17.574 -14.229 20 HB3 SER 5 2HB SER 5 -8.331 -17.016 -13.806 21 HG SER 5 HG SER 5 -9.038 -19.173 -13.930 22 H SER 6 H SER 6 -10.177 -16.171 -15.607 23 HA SER 6 HA SER 6 -8.873 -13.636 -16.079 24 HB2 SER 6 1HB SER 6 -9.412 -14.652 -18.371 25 HB3 SER 6 2HB SER 6 -11.107 -14.397 -17.958 26 HG SER 6 HG SER 6 -9.377 -12.243 -17.615 27 H GLY 7 H GLY 7 -9.695 -12.388 -14.542 28 HA2 GLY 7 1HA GLY 7 -12.336 -11.602 -14.337 29 HA3 GLY 7 2HA GLY 7 -12.161 -12.960 -13.235 30 H SER 8 H SER 8 -12.894 -10.725 -12.064 31 HA SER 8 HA SER 8 -10.453 -9.464 -11.015 32 HB2 SER 8 1HB SER 8 -11.784 -7.589 -10.380 33 HB3 SER 8 2HB SER 8 -12.284 -8.016 -12.016 34 HG SER 8 HG SER 8 -13.990 -9.278 -10.922 35 H GLY 9 H GLY 9 -10.492 -8.905 -8.675 36 HA2 GLY 9 1HA GLY 9 -12.019 -10.865 -7.088 37 HA3 GLY 9 2HA GLY 9 -10.283 -10.705 -6.869 38 H GLU 10 H GLU 10 -12.852 -10.126 -5.225 39 HA GLU 10 HA GLU 10 -11.960 -7.480 -4.285 40 HB2 GLU 10 1HB GLU 10 -14.194 -6.831 -3.822 41 HB3 GLU 10 2HB GLU 10 -14.203 -7.488 -5.453 42 HG2 GLU 10 1HG GLU 10 -14.947 -9.676 -4.411 43 HG3 GLU 10 2HG GLU 10 -15.228 -8.754 -2.935 44 H LYS 11 H LYS 11 -11.210 -7.501 -2.281 45 HA LYS 11 HA LYS 11 -12.470 -8.794 -0.117 46 HB2 LYS 11 1HB LYS 11 -11.504 -10.798 -1.236 47 HB3 LYS 11 2HB LYS 11 -9.902 -10.103 -1.029 48 HG2 LYS 11 1HG LYS 11 -10.068 -11.583 0.740 49 HG3 LYS 11 2HG LYS 11 -10.493 -10.036 1.477 50 HD2 LYS 11 1HD LYS 11 -12.200 -11.318 2.285 51 HD3 LYS 11 2HD LYS 11 -12.933 -10.787 0.770 52 HE2 LYS 11 1HE LYS 11 -11.963 -12.910 -0.250 53 HE3 LYS 11 2HE LYS 11 -11.657 -13.435 1.404 54 HZ1 LYS 11 3HZ LYS 11 -13.741 -14.132 1.495 55 HZ2 LYS 11 1HZ LYS 11 -14.064 -13.531 -0.053 56 HZ3 LYS 11 2HZ LYS 11 -14.286 -12.543 1.301 57 H SER 12 H SER 12 -11.533 -8.266 1.883 58 HA SER 12 HA SER 12 -10.431 -5.850 2.256 59 HB2 SER 12 1HB SER 12 -9.460 -6.701 4.401 60 HB3 SER 12 2HB SER 12 -11.136 -7.186 4.144 61 HG SER 12 HG SER 12 -9.957 -8.969 4.815 62 H HIS 13 H HIS 13 -8.772 -4.956 1.220 63 HA HIS 13 HA HIS 13 -6.569 -6.362 0.168 64 HB2 HIS 13 1HB HIS 13 -6.623 -3.417 0.834 65 HB3 HIS 13 2HB HIS 13 -5.659 -4.221 -0.401 66 HD1 HIS 13 HD1 HIS 13 -6.758 -4.659 -2.653 67 HD2 HIS 13 HD2 HIS 13 -9.364 -3.073 0.168 68 HE1 HIS 13 HE1 HIS 13 -8.831 -4.030 -3.930 69 H THR 14 H THR 14 -4.419 -6.484 0.835 70 HA THR 14 HA THR 14 -3.867 -5.702 3.616 71 HB THR 14 HB THR 14 -3.184 -8.378 2.382 72 HG1 THR 14 HG1 THR 14 -5.281 -8.443 3.080 73 HG21 THR 14 3HG2 THR 14 -1.683 -7.036 4.220 74 HG22 THR 14 1HG2 THR 14 -1.756 -8.791 4.074 75 HG23 THR 14 2HG2 THR 14 -2.766 -7.962 5.258 76 H CYS 15 H CYS 15 -1.954 -4.732 3.916 77 HA CYS 15 HA CYS 15 -0.325 -4.081 1.672 78 HB2 CYS 15 1HB CYS 15 -0.695 -2.582 3.639 79 HB3 CYS 15 2HB CYS 15 0.294 -3.674 4.604 80 H ASP 16 H ASP 16 1.300 -5.196 0.833 81 HA ASP 16 HA ASP 16 2.235 -7.604 2.106 82 HB2 ASP 16 1HB ASP 16 1.861 -7.139 -0.435 83 HB3 ASP 16 2HB ASP 16 3.474 -6.435 -0.364 84 H GLU 17 H GLU 17 3.125 -4.354 2.194 85 HA GLU 17 HA GLU 17 5.948 -4.651 2.467 86 HB2 GLU 17 1HB GLU 17 4.209 -2.393 3.472 87 HB3 GLU 17 2HB GLU 17 5.943 -2.339 3.186 88 HG2 GLU 17 1HG GLU 17 4.153 -3.043 0.921 89 HG3 GLU 17 2HG GLU 17 4.231 -1.364 1.450 90 H CYS 18 H CYS 18 3.256 -4.394 4.750 91 HA CYS 18 HA CYS 18 5.080 -5.313 6.873 92 HB2 CYS 18 1HB CYS 18 3.675 -4.022 8.480 93 HB3 CYS 18 2HB CYS 18 4.537 -3.007 7.329 94 H GLY 19 H GLY 19 1.737 -5.233 5.699 95 HA2 GLY 19 1HA GLY 19 0.651 -7.457 5.548 96 HA3 GLY 19 2HA GLY 19 1.275 -7.759 7.163 97 H LYS 20 H LYS 20 0.066 -4.611 6.382 98 HA LYS 20 HA LYS 20 -1.895 -4.754 8.450 99 HB2 LYS 20 1HB LYS 20 -0.996 -2.691 6.492 100 HB3 LYS 20 2HB LYS 20 -2.559 -2.472 7.269 101 HG2 LYS 20 1HG LYS 20 -0.138 -3.051 8.919 102 HG3 LYS 20 2HG LYS 20 -0.439 -1.418 8.319 103 HD2 LYS 20 1HD LYS 20 -2.539 -1.313 9.454 104 HD3 LYS 20 2HD LYS 20 -2.459 -3.026 9.876 105 HE2 LYS 20 1HE LYS 20 -0.393 -1.047 10.798 106 HE3 LYS 20 2HE LYS 20 -1.878 -1.342 11.701 107 HZ1 LYS 20 3HZ LYS 20 -0.891 -3.081 12.620 108 HZ2 LYS 20 1HZ LYS 20 0.495 -2.856 11.677 109 HZ3 LYS 20 2HZ LYS 20 -0.770 -3.821 11.104 110 H ASN 21 H ASN 21 -4.132 -3.573 7.694 111 HA ASN 21 HA ASN 21 -5.180 -5.027 5.372 112 HB2 ASN 21 1HB ASN 21 -5.619 -6.175 7.666 113 HB3 ASN 21 2HB ASN 21 -6.792 -4.883 7.903 114 HD21 ASN 21 1HD2 ASN 21 -5.817 -7.150 5.350 115 HD22 ASN 21 2HD2 ASN 21 -7.425 -7.591 4.895 116 H PHE 22 H PHE 22 -6.830 -4.007 4.276 117 HA PHE 22 HA PHE 22 -8.043 -1.611 5.354 118 HB2 PHE 22 1HB PHE 22 -6.435 -1.421 2.802 119 HB3 PHE 22 2HB PHE 22 -7.280 -0.116 3.627 120 HD1 PHE 22 HD2 PHE 22 -4.356 -2.328 3.707 121 HD2 PHE 22 HD1 PHE 22 -6.328 0.973 5.533 122 HE1 PHE 22 HE2 PHE 22 -2.308 -1.805 4.965 123 HE2 PHE 22 HE1 PHE 22 -4.282 1.501 6.794 124 HZ PHE 22 HZ PHE 22 -2.269 0.111 6.512 125 H CYS 23 H CYS 23 -10.116 -1.976 4.939 126 HA CYS 23 HA CYS 23 -11.168 -3.735 3.084 127 HB2 CYS 23 1HB CYS 23 -12.325 -1.321 4.455 128 HB3 CYS 23 2HB CYS 23 -13.283 -2.263 3.320 129 HG CYS 23 HG CYS 23 -11.917 -3.411 6.240 130 H TYR 24 H TYR 24 -10.535 -0.271 2.746 131 HA TYR 24 HA TYR 24 -11.232 -0.466 -0.105 132 HB2 TYR 24 1HB TYR 24 -10.987 2.170 0.223 133 HB3 TYR 24 2HB TYR 24 -12.482 1.318 0.592 134 HD1 TYR 24 HD2 TYR 24 -12.627 0.405 3.079 135 HD2 TYR 24 HD1 TYR 24 -10.131 3.609 1.813 136 HE1 TYR 24 HE2 TYR 24 -12.540 1.242 5.390 137 HE2 TYR 24 HE1 TYR 24 -10.036 4.455 4.121 138 HH TYR 24 HH TYR 24 -10.595 4.086 6.241 139 H ILE 25 H ILE 25 -9.663 -0.428 -1.567 140 HA ILE 25 HA ILE 25 -6.976 -0.561 -1.034 141 HB ILE 25 HB ILE 25 -8.279 -0.926 -3.264 142 HG12 ILE 25 1HG1 ILE 25 -6.027 -0.353 -4.504 143 HG13 ILE 25 2HG1 ILE 25 -5.446 -0.037 -2.872 144 HG21 ILE 25 1HG2 ILE 25 -8.162 0.837 -4.859 145 HG22 ILE 25 2HG2 ILE 25 -8.919 1.493 -3.408 146 HG23 ILE 25 3HG2 ILE 25 -7.228 1.851 -3.759 147 HD11 ILE 25 3HD1 ILE 25 -6.766 -2.617 -3.647 148 HD12 ILE 25 1HD1 ILE 25 -5.030 -2.345 -3.794 149 HD13 ILE 25 2HD1 ILE 25 -5.805 -2.266 -2.211 150 H SER 26 H SER 26 -8.909 2.321 -1.696 151 HA SER 26 HA SER 26 -7.001 4.245 -2.030 152 HB2 SER 26 1HB SER 26 -9.235 4.964 -2.187 153 HB3 SER 26 2HB SER 26 -9.648 4.321 -0.597 154 HG SER 26 HG SER 26 -8.295 5.952 0.303 155 H ALA 27 H ALA 27 -8.203 2.997 1.073 156 HA ALA 27 HA ALA 27 -6.666 4.616 2.754 157 HB1 ALA 27 3HB ALA 27 -8.437 2.437 3.046 158 HB2 ALA 27 1HB ALA 27 -6.966 2.037 3.934 159 HB3 ALA 27 2HB ALA 27 -7.835 3.530 4.293 160 H LEU 28 H LEU 28 -5.977 1.356 1.500 161 HA LEU 28 HA LEU 28 -3.526 0.948 2.735 162 HB2 LEU 28 1HB LEU 28 -4.373 -0.918 1.682 163 HB3 LEU 28 2HB LEU 28 -4.768 -0.035 0.208 164 HG LEU 28 HG LEU 28 -2.317 0.070 -0.288 165 HD11 LEU 28 1HD1 LEU 28 -2.234 -1.615 2.187 166 HD12 LEU 28 2HD1 LEU 28 -1.239 -0.227 1.750 167 HD13 LEU 28 3HD1 LEU 28 -1.003 -1.772 0.934 168 HD21 LEU 28 3HD2 LEU 28 -3.696 -2.595 -0.048 169 HD22 LEU 28 1HD2 LEU 28 -2.164 -2.370 -0.891 170 HD23 LEU 28 2HD2 LEU 28 -3.611 -1.536 -1.457 171 H ARG 29 H ARG 29 -4.251 2.561 -0.336 172 HA ARG 29 HA ARG 29 -1.624 3.001 -1.183 173 HB2 ARG 29 1HB ARG 29 -3.960 4.857 -1.652 174 HB3 ARG 29 2HB ARG 29 -2.526 4.678 -2.653 175 HG2 ARG 29 1HG ARG 29 -4.214 2.279 -2.207 176 HG3 ARG 29 2HG ARG 29 -4.824 3.542 -3.279 177 HD2 ARG 29 1HD ARG 29 -2.381 3.371 -4.276 178 HD3 ARG 29 2HD ARG 29 -2.470 1.750 -3.588 179 HE ARG 29 HE ARG 29 -3.977 1.172 -5.218 180 HH11 ARG 29 1HH1 ARG 29 -3.615 4.634 -5.150 181 HH12 ARG 29 2HH1 ARG 29 -4.521 4.888 -6.606 182 HH21 ARG 29 1HH2 ARG 29 -5.170 1.493 -7.135 183 HH22 ARG 29 2HH2 ARG 29 -5.405 3.101 -7.733 184 H ILE 30 H ILE 30 -3.621 4.720 1.121 185 HA ILE 30 HA ILE 30 -1.908 7.002 1.329 186 HB ILE 30 HB ILE 30 -4.043 6.001 3.217 187 HG12 ILE 30 1HG1 ILE 30 -4.208 8.298 1.267 188 HG13 ILE 30 2HG1 ILE 30 -4.703 6.663 0.842 189 HG21 ILE 30 1HG2 ILE 30 -2.110 8.144 3.443 190 HG22 ILE 30 2HG2 ILE 30 -3.767 8.741 3.529 191 HG23 ILE 30 3HG2 ILE 30 -3.220 7.494 4.649 192 HD11 ILE 30 3HD1 ILE 30 -6.518 8.255 1.586 193 HD12 ILE 30 1HD1 ILE 30 -6.466 6.686 2.388 194 HD13 ILE 30 2HD1 ILE 30 -5.837 8.117 3.206 195 H HIS 31 H HIS 31 -2.310 3.995 3.136 196 HA HIS 31 HA HIS 31 -0.483 4.663 5.211 197 HB2 HIS 31 1HB HIS 31 -1.879 2.957 5.874 198 HB3 HIS 31 2HB HIS 31 -1.860 2.182 4.293 199 HD1 HIS 31 HD1 HIS 31 0.313 2.577 7.366 200 HD2 HIS 31 HD2 HIS 31 -0.091 0.109 4.048 201 HE1 HIS 31 HE1 HIS 31 1.902 0.667 7.751 202 H GLN 32 H GLN 32 -0.190 2.841 2.188 203 HA GLN 32 HA GLN 32 2.321 1.790 2.398 204 HB2 GLN 32 1HB GLN 32 0.848 2.969 0.065 205 HB3 GLN 32 2HB GLN 32 2.484 2.356 -0.136 206 HG2 GLN 32 1HG GLN 32 1.611 0.197 0.912 207 HG3 GLN 32 2HG GLN 32 0.003 0.855 0.614 208 HE21 GLN 32 1HE2 GLN 32 -0.014 1.907 -1.745 209 HE22 GLN 32 2HE2 GLN 32 0.484 0.807 -2.981 210 H ARG 33 H ARG 33 1.444 5.138 2.027 211 HA ARG 33 HA ARG 33 3.775 6.268 1.081 212 HB2 ARG 33 1HB ARG 33 1.901 7.339 3.197 213 HB3 ARG 33 2HB ARG 33 3.122 8.295 2.367 214 HG2 ARG 33 1HG ARG 33 2.008 8.010 0.267 215 HG3 ARG 33 2HG ARG 33 0.866 6.869 0.979 216 HD2 ARG 33 1HD ARG 33 -0.134 8.575 2.304 217 HD3 ARG 33 2HD ARG 33 1.142 9.722 1.896 218 HE ARG 33 HE ARG 33 0.093 9.145 -0.511 219 HH11 ARG 33 1HH1 ARG 33 -1.348 10.086 2.515 220 HH12 ARG 33 2HH1 ARG 33 -2.687 10.899 1.774 221 HH21 ARG 33 1HH2 ARG 33 -1.665 10.212 -1.499 222 HH22 ARG 33 2HH2 ARG 33 -2.867 10.969 -0.509 223 H VAL 34 H VAL 34 3.018 5.171 4.343 224 HA VAL 34 HA VAL 34 5.217 6.251 5.689 225 HB VAL 34 HB VAL 34 4.802 4.687 7.434 226 HG11 VAL 34 1HG1 VAL 34 2.994 6.408 6.748 227 HG12 VAL 34 2HG1 VAL 34 2.071 4.990 6.249 228 HG13 VAL 34 3HG1 VAL 34 2.587 5.162 7.927 229 HG21 VAL 34 3HG2 VAL 34 4.724 2.558 6.640 230 HG22 VAL 34 1HG2 VAL 34 2.990 2.838 6.801 231 HG23 VAL 34 2HG2 VAL 34 3.767 3.002 5.226 232 H HIS 35 H HIS 35 4.930 3.437 3.643 233 HA HIS 35 HA HIS 35 7.469 2.320 4.398 234 HB2 HIS 35 1HB HIS 35 5.531 1.712 2.166 235 HB3 HIS 35 2HB HIS 35 7.063 0.863 2.352 236 HD1 HIS 35 HD1 HIS 35 7.331 -0.518 4.637 237 HD2 HIS 35 HD2 HIS 35 3.487 0.756 3.707 238 HE1 HIS 35 HE1 HIS 35 5.798 -1.895 6.079 239 H MET 36 H MET 36 6.291 4.540 1.987 240 HA MET 36 HA MET 36 8.383 4.428 0.140 241 HB2 MET 36 1HB MET 36 6.372 6.490 0.915 242 HB3 MET 36 2HB MET 36 7.715 6.982 -0.109 243 HG2 MET 36 1HG MET 36 5.979 6.437 -1.577 244 HG3 MET 36 2HG MET 36 7.082 5.063 -1.628 245 HE1 MET 36 3HE MET 36 3.964 6.280 -1.758 246 HE2 MET 36 1HE MET 36 3.333 4.706 -2.246 247 HE3 MET 36 2HE MET 36 2.829 5.422 -0.715 248 H GLY 37 H GLY 37 10.205 5.816 -0.167 249 HA2 GLY 37 1HA GLY 37 11.147 7.201 2.253 250 HA3 GLY 37 2HA GLY 37 12.172 5.991 1.495 251 H GLU 38 H GLU 38 10.160 8.644 0.221 252 HA GLU 38 HA GLU 38 12.172 9.327 -1.711 253 HB2 GLU 38 1HB GLU 38 10.620 11.097 -2.390 254 HB3 GLU 38 2HB GLU 38 9.800 9.548 -2.254 255 HG2 GLU 38 1HG GLU 38 8.362 11.165 -1.319 256 HG3 GLU 38 2HG GLU 38 9.044 10.255 0.028 257 H LYS 39 H LYS 39 12.967 11.581 -1.946 258 HA LYS 39 HA LYS 39 13.454 12.845 0.669 259 HB2 LYS 39 1HB LYS 39 15.735 13.348 -0.015 260 HB3 LYS 39 2HB LYS 39 15.451 11.614 -0.082 261 HG2 LYS 39 1HG LYS 39 15.050 13.207 -2.559 262 HG3 LYS 39 2HG LYS 39 16.698 12.879 -2.018 263 HD2 LYS 39 1HD LYS 39 16.387 10.543 -2.166 264 HD3 LYS 39 2HD LYS 39 14.635 10.709 -2.305 265 HE2 LYS 39 1HE LYS 39 15.186 10.327 -4.495 266 HE3 LYS 39 2HE LYS 39 15.267 12.088 -4.453 267 HZ1 LYS 39 3HZ LYS 39 17.265 10.357 -5.220 268 HZ2 LYS 39 1HZ LYS 39 17.754 10.941 -3.709 269 HZ3 LYS 39 2HZ LYS 39 17.409 12.023 -4.962 270 H CYS 40 H CYS 40 12.931 13.214 -2.760 271 HA CYS 40 HA CYS 40 13.454 15.826 -3.274 272 HB2 CYS 40 1HB CYS 40 11.020 14.235 -4.102 273 HB3 CYS 40 2HB CYS 40 11.452 15.794 -4.795 274 HG CYS 40 HG CYS 40 14.106 13.944 -5.010 275 H SER 41 H SER 41 10.368 14.657 -1.920 276 HA SER 41 HA SER 41 9.162 17.112 -1.501 277 HB2 SER 41 1HB SER 41 7.856 15.133 -1.222 278 HB3 SER 41 2HB SER 41 8.929 14.521 0.036 279 HG SER 41 HG SER 41 6.774 15.800 0.473 280 H GLY 42 H GLY 42 11.168 15.250 0.781 281 HA2 GLY 42 1HA GLY 42 12.823 16.389 2.126 282 HA3 GLY 42 2HA GLY 42 11.761 17.789 2.157 283 HA PRO 43 HA PRO 43 11.055 14.660 5.758 284 HB2 PRO 43 1HB PRO 43 12.879 15.510 7.581 285 HB3 PRO 43 2HB PRO 43 13.210 14.218 6.420 286 HG2 PRO 43 1HG PRO 43 13.977 17.110 6.307 287 HG3 PRO 43 2HG PRO 43 14.946 15.679 5.907 288 HD2 PRO 43 1HD PRO 43 13.753 17.205 4.015 289 HD3 PRO 43 2HD PRO 43 13.986 15.456 3.823 290 H SER 44 H SER 44 12.289 17.979 6.231 291 HA SER 44 HA SER 44 11.380 19.814 7.222 292 HB2 SER 44 1HB SER 44 9.464 19.385 5.724 293 HB3 SER 44 2HB SER 44 8.763 18.315 6.938 294 HG SER 44 HG SER 44 9.392 21.026 7.458 295 H SER 45 H SER 45 12.486 17.802 8.845 296 HA SER 45 HA SER 45 11.154 16.789 10.958 297 HB2 SER 45 1HB SER 45 13.160 16.930 12.242 298 HB3 SER 45 2HB SER 45 13.664 16.775 10.559 299 HG SER 45 HG SER 45 13.449 19.228 11.973 300 H GLY 46 H GLY 46 10.311 17.465 12.906 301 HA2 GLY 46 1HA GLY 46 10.531 19.788 14.267 302 HA3 GLY 46 2HA GLY 46 9.414 20.214 12.978 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -22.086 -6.189 -17.459 2 HA2 GLY 1 1HA GLY 1 -22.316 -3.819 -17.855 3 HA3 GLY 1 2HA GLY 1 -23.255 -4.198 -19.291 4 H SER 2 H SER 2 -25.426 -4.853 -19.070 5 HA SER 2 HA SER 2 -26.867 -3.532 -17.062 6 HB2 SER 2 1HB SER 2 -27.585 -4.433 -19.437 7 HB3 SER 2 2HB SER 2 -28.087 -5.848 -18.512 8 HG SER 2 HG SER 2 -29.717 -4.169 -18.793 9 H SER 3 H SER 3 -26.238 -7.006 -17.509 10 HA SER 3 HA SER 3 -26.749 -7.372 -14.632 11 HB2 SER 3 1HB SER 3 -27.630 -9.140 -16.919 12 HB3 SER 3 2HB SER 3 -27.628 -9.667 -15.236 13 HG SER 3 HG SER 3 -29.647 -8.724 -16.130 14 H GLY 4 H GLY 4 -25.600 -9.128 -13.633 15 HA2 GLY 4 1HA GLY 4 -23.860 -10.657 -13.416 16 HA3 GLY 4 2HA GLY 4 -23.504 -10.454 -15.125 17 H SER 5 H SER 5 -22.631 -9.622 -11.945 18 HA SER 5 HA SER 5 -20.689 -7.652 -12.963 19 HB2 SER 5 1HB SER 5 -22.533 -6.968 -11.225 20 HB3 SER 5 2HB SER 5 -21.469 -7.770 -10.070 21 HG SER 5 HG SER 5 -19.981 -6.253 -10.356 22 H SER 6 H SER 6 -19.225 -9.366 -13.461 23 HA SER 6 HA SER 6 -18.147 -10.842 -11.171 24 HB2 SER 6 1HB SER 6 -17.622 -11.177 -14.135 25 HB3 SER 6 2HB SER 6 -16.970 -12.205 -12.858 26 HG SER 6 HG SER 6 -19.439 -12.305 -12.353 27 H GLY 7 H GLY 7 -16.046 -10.656 -10.489 28 HA2 GLY 7 1HA GLY 7 -14.032 -9.246 -11.915 29 HA3 GLY 7 2HA GLY 7 -14.755 -8.210 -10.694 30 H SER 8 H SER 8 -12.036 -9.051 -10.758 31 HA SER 8 HA SER 8 -11.829 -11.042 -8.630 32 HB2 SER 8 1HB SER 8 -10.293 -11.336 -10.477 33 HB3 SER 8 2HB SER 8 -9.723 -9.675 -10.322 34 HG SER 8 HG SER 8 -8.474 -11.519 -9.306 35 H GLY 9 H GLY 9 -10.622 -10.634 -6.701 36 HA2 GLY 9 1HA GLY 9 -9.333 -8.776 -5.526 37 HA3 GLY 9 2HA GLY 9 -10.746 -7.799 -5.894 38 H GLU 10 H GLU 10 -9.276 -9.495 -3.512 39 HA GLU 10 HA GLU 10 -11.337 -10.932 -2.276 40 HB2 GLU 10 1HB GLU 10 -8.831 -10.893 -1.720 41 HB3 GLU 10 2HB GLU 10 -9.190 -9.463 -0.762 42 HG2 GLU 10 1HG GLU 10 -10.565 -10.670 0.716 43 HG3 GLU 10 2HG GLU 10 -10.627 -12.065 -0.360 44 H LYS 11 H LYS 11 -12.309 -10.319 -0.120 45 HA LYS 11 HA LYS 11 -13.892 -7.984 -0.455 46 HB2 LYS 11 1HB LYS 11 -13.563 -9.853 1.897 47 HB3 LYS 11 2HB LYS 11 -14.754 -8.561 1.828 48 HG2 LYS 11 1HG LYS 11 -16.033 -9.636 0.252 49 HG3 LYS 11 2HG LYS 11 -14.677 -10.589 -0.354 50 HD2 LYS 11 1HD LYS 11 -14.682 -11.875 1.755 51 HD3 LYS 11 2HD LYS 11 -16.094 -10.958 2.285 52 HE2 LYS 11 1HE LYS 11 -16.930 -12.985 1.415 53 HE3 LYS 11 2HE LYS 11 -17.241 -11.767 0.179 54 HZ1 LYS 11 3HZ LYS 11 -16.097 -14.111 -0.326 55 HZ2 LYS 11 1HZ LYS 11 -14.714 -13.179 -0.042 56 HZ3 LYS 11 2HZ LYS 11 -15.808 -12.722 -1.247 57 H SER 12 H SER 12 -10.766 -8.303 0.554 58 HA SER 12 HA SER 12 -10.693 -5.623 1.588 59 HB2 SER 12 1HB SER 12 -10.375 -7.983 3.401 60 HB3 SER 12 2HB SER 12 -9.385 -6.551 3.686 61 HG SER 12 HG SER 12 -11.392 -6.515 4.827 62 H HIS 13 H HIS 13 -8.675 -4.705 1.432 63 HA HIS 13 HA HIS 13 -6.726 -6.232 -0.091 64 HB2 HIS 13 1HB HIS 13 -6.756 -3.310 0.694 65 HB3 HIS 13 2HB HIS 13 -5.596 -4.062 -0.398 66 HD1 HIS 13 HD1 HIS 13 -6.392 -4.600 -2.784 67 HD2 HIS 13 HD2 HIS 13 -9.309 -2.862 -0.390 68 HE1 HIS 13 HE1 HIS 13 -8.245 -3.943 -4.352 69 H THR 14 H THR 14 -4.476 -6.291 0.468 70 HA THR 14 HA THR 14 -3.905 -5.886 3.324 71 HB THR 14 HB THR 14 -3.159 -8.347 1.731 72 HG1 THR 14 HG1 THR 14 -4.640 -9.380 3.003 73 HG21 THR 14 3HG2 THR 14 -1.559 -7.343 3.563 74 HG22 THR 14 1HG2 THR 14 -1.872 -9.076 3.494 75 HG23 THR 14 2HG2 THR 14 -2.722 -8.073 4.669 76 H CYS 15 H CYS 15 -1.995 -4.947 3.746 77 HA CYS 15 HA CYS 15 -0.402 -3.993 1.562 78 HB2 CYS 15 1HB CYS 15 -0.887 -2.734 3.712 79 HB3 CYS 15 2HB CYS 15 0.263 -3.809 4.501 80 H ASP 16 H ASP 16 1.052 -5.210 0.565 81 HA ASP 16 HA ASP 16 2.139 -7.587 1.697 82 HB2 ASP 16 1HB ASP 16 3.362 -6.230 -0.679 83 HB3 ASP 16 2HB ASP 16 3.136 -7.950 -0.372 84 H GLU 17 H GLU 17 2.979 -4.311 1.934 85 HA GLU 17 HA GLU 17 5.800 -4.586 2.223 86 HB2 GLU 17 1HB GLU 17 4.039 -2.395 3.331 87 HB3 GLU 17 2HB GLU 17 5.768 -2.309 3.025 88 HG2 GLU 17 1HG GLU 17 3.871 -2.883 0.791 89 HG3 GLU 17 2HG GLU 17 4.117 -1.231 1.355 90 H CYS 18 H CYS 18 3.104 -4.390 4.518 91 HA CYS 18 HA CYS 18 4.920 -5.412 6.602 92 HB2 CYS 18 1HB CYS 18 3.538 -4.187 8.259 93 HB3 CYS 18 2HB CYS 18 4.348 -3.113 7.122 94 H GLY 19 H GLY 19 1.636 -5.370 5.309 95 HA2 GLY 19 1HA GLY 19 0.566 -7.582 5.104 96 HA3 GLY 19 2HA GLY 19 1.151 -7.918 6.726 97 H LYS 20 H LYS 20 0.062 -4.727 6.259 98 HA LYS 20 HA LYS 20 -1.991 -4.970 8.178 99 HB2 LYS 20 1HB LYS 20 -1.052 -2.830 6.327 100 HB3 LYS 20 2HB LYS 20 -2.637 -2.644 7.064 101 HG2 LYS 20 1HG LYS 20 -0.275 -3.288 8.771 102 HG3 LYS 20 2HG LYS 20 -0.541 -1.634 8.214 103 HD2 LYS 20 1HD LYS 20 -2.874 -1.814 9.148 104 HD3 LYS 20 2HD LYS 20 -2.378 -3.337 9.889 105 HE2 LYS 20 1HE LYS 20 -0.850 -2.286 11.306 106 HE3 LYS 20 2HE LYS 20 -0.808 -0.821 10.326 107 HZ1 LYS 20 3HZ LYS 20 -2.468 -1.424 12.522 108 HZ2 LYS 20 1HZ LYS 20 -3.434 -1.167 11.158 109 HZ3 LYS 20 2HZ LYS 20 -2.342 0.024 11.657 110 H ASN 21 H ASN 21 -4.211 -3.744 7.409 111 HA ASN 21 HA ASN 21 -5.213 -5.121 5.021 112 HB2 ASN 21 1HB ASN 21 -5.699 -6.301 7.320 113 HB3 ASN 21 2HB ASN 21 -6.929 -5.050 7.474 114 HD21 ASN 21 1HD2 ASN 21 -5.716 -7.209 4.927 115 HD22 ASN 21 2HD2 ASN 21 -7.275 -7.740 4.403 116 H PHE 22 H PHE 22 -6.818 -4.052 3.916 117 HA PHE 22 HA PHE 22 -8.073 -1.704 5.047 118 HB2 PHE 22 1HB PHE 22 -6.362 -1.407 2.573 119 HB3 PHE 22 2HB PHE 22 -7.254 -0.138 3.405 120 HD1 PHE 22 HD1 PHE 22 -6.448 0.785 5.499 121 HD2 PHE 22 HD2 PHE 22 -4.269 -2.229 3.429 122 HE1 PHE 22 HE1 PHE 22 -4.466 1.281 6.870 123 HE2 PHE 22 HE2 PHE 22 -2.284 -1.739 4.798 124 HZ PHE 22 HZ PHE 22 -2.381 0.017 6.521 125 H CYS 23 H CYS 23 -10.127 -2.074 4.547 126 HA CYS 23 HA CYS 23 -11.108 -3.747 2.585 127 HB2 CYS 23 1HB CYS 23 -12.471 -2.896 4.439 128 HB3 CYS 23 2HB CYS 23 -12.437 -1.284 3.734 129 HG CYS 23 HG CYS 23 -14.478 -1.578 2.204 130 H TYR 24 H TYR 24 -10.489 -0.266 2.402 131 HA TYR 24 HA TYR 24 -11.084 -0.349 -0.475 132 HB2 TYR 24 1HB TYR 24 -10.805 2.268 -0.040 133 HB3 TYR 24 2HB TYR 24 -12.323 1.429 0.256 134 HD1 TYR 24 HD2 TYR 24 -12.587 0.453 2.694 135 HD2 TYR 24 HD1 TYR 24 -9.931 3.603 1.634 136 HE1 TYR 24 HE2 TYR 24 -12.548 1.201 5.037 137 HE2 TYR 24 HE1 TYR 24 -9.884 4.359 3.974 138 HH TYR 24 HH TYR 24 -10.993 2.499 6.528 139 H ILE 25 H ILE 25 -9.517 -0.106 -1.942 140 HA ILE 25 HA ILE 25 -6.831 -0.376 -1.348 141 HB ILE 25 HB ILE 25 -8.029 -0.636 -3.612 142 HG12 ILE 25 1HG1 ILE 25 -5.875 -0.066 -4.839 143 HG13 ILE 25 2HG1 ILE 25 -5.277 0.571 -3.311 144 HG21 ILE 25 1HG2 ILE 25 -8.760 1.810 -3.546 145 HG22 ILE 25 2HG2 ILE 25 -7.109 2.190 -4.034 146 HG23 ILE 25 3HG2 ILE 25 -8.129 1.194 -5.073 147 HD11 ILE 25 3HD1 ILE 25 -6.368 -2.166 -3.245 148 HD12 ILE 25 1HD1 ILE 25 -4.861 -1.937 -4.131 149 HD13 ILE 25 2HD1 ILE 25 -4.963 -1.478 -2.431 150 H SER 26 H SER 26 -8.722 2.566 -1.804 151 HA SER 26 HA SER 26 -6.765 4.477 -1.996 152 HB2 SER 26 1HB SER 26 -8.989 5.235 -2.165 153 HB3 SER 26 2HB SER 26 -9.444 4.514 -0.621 154 HG SER 26 HG SER 26 -7.439 6.449 -0.594 155 H ALA 27 H ALA 27 -8.099 3.104 1.001 156 HA ALA 27 HA ALA 27 -6.612 4.566 2.833 157 HB1 ALA 27 3HB ALA 27 -6.884 1.906 3.810 158 HB2 ALA 27 1HB ALA 27 -7.811 3.344 4.240 159 HB3 ALA 27 2HB ALA 27 -8.336 2.325 2.899 160 H LEU 28 H LEU 28 -5.830 1.398 1.400 161 HA LEU 28 HA LEU 28 -3.399 0.963 2.652 162 HB2 LEU 28 1HB LEU 28 -4.263 -0.823 1.433 163 HB3 LEU 28 2HB LEU 28 -4.494 0.156 -0.014 164 HG LEU 28 HG LEU 28 -1.994 0.228 -0.247 165 HD11 LEU 28 1HD1 LEU 28 -2.167 -1.076 2.299 166 HD12 LEU 28 2HD1 LEU 28 -0.747 -0.474 1.444 167 HD13 LEU 28 3HD1 LEU 28 -1.326 -2.113 1.146 168 HD21 LEU 28 3HD2 LEU 28 -2.003 -2.419 -0.714 169 HD22 LEU 28 1HD2 LEU 28 -2.785 -1.241 -1.768 170 HD23 LEU 28 2HD2 LEU 28 -3.738 -2.129 -0.578 171 H ARG 29 H ARG 29 -4.051 2.690 -0.381 172 HA ARG 29 HA ARG 29 -1.418 3.260 -1.093 173 HB2 ARG 29 1HB ARG 29 -3.796 5.066 -1.554 174 HB3 ARG 29 2HB ARG 29 -2.316 4.997 -2.501 175 HG2 ARG 29 1HG ARG 29 -3.927 2.518 -2.264 176 HG3 ARG 29 2HG ARG 29 -4.541 3.817 -3.289 177 HD2 ARG 29 1HD ARG 29 -2.835 3.621 -4.795 178 HD3 ARG 29 2HD ARG 29 -1.689 3.045 -3.585 179 HE ARG 29 HE ARG 29 -3.494 1.020 -3.802 180 HH11 ARG 29 1HH1 ARG 29 -1.501 2.765 -6.063 181 HH12 ARG 29 2HH1 ARG 29 -1.333 1.425 -7.148 182 HH21 ARG 29 1HH2 ARG 29 -3.279 -0.751 -5.224 183 HH22 ARG 29 2HH2 ARG 29 -2.345 -0.574 -6.670 184 H ILE 30 H ILE 30 -3.552 4.821 1.206 185 HA ILE 30 HA ILE 30 -1.892 7.120 1.598 186 HB ILE 30 HB ILE 30 -4.093 6.005 3.341 187 HG12 ILE 30 1HG1 ILE 30 -4.233 8.373 1.479 188 HG13 ILE 30 2HG1 ILE 30 -4.648 6.745 0.955 189 HG21 ILE 30 1HG2 ILE 30 -4.150 8.285 4.308 190 HG22 ILE 30 2HG2 ILE 30 -2.649 7.423 4.643 191 HG23 ILE 30 3HG2 ILE 30 -2.689 8.671 3.398 192 HD11 ILE 30 3HD1 ILE 30 -6.304 8.622 2.194 193 HD12 ILE 30 1HD1 ILE 30 -6.673 6.941 1.813 194 HD13 ILE 30 2HD1 ILE 30 -6.014 7.363 3.394 195 H HIS 31 H HIS 31 -2.315 4.019 3.226 196 HA HIS 31 HA HIS 31 -0.619 4.615 5.429 197 HB2 HIS 31 1HB HIS 31 -2.003 2.844 5.925 198 HB3 HIS 31 2HB HIS 31 -1.881 2.156 4.308 199 HD1 HIS 31 HD1 HIS 31 0.112 2.429 7.512 200 HD2 HIS 31 HD2 HIS 31 -0.045 0.144 4.046 201 HE1 HIS 31 HE1 HIS 31 1.729 0.538 7.879 202 H GLN 32 H GLN 32 -0.115 3.081 2.291 203 HA GLN 32 HA GLN 32 2.422 2.054 2.607 204 HB2 GLN 32 1HB GLN 32 1.021 3.273 0.248 205 HB3 GLN 32 2HB GLN 32 2.681 2.710 0.109 206 HG2 GLN 32 1HG GLN 32 1.833 0.491 1.019 207 HG3 GLN 32 2HG GLN 32 0.215 1.114 0.701 208 HE21 GLN 32 1HE2 GLN 32 -0.089 1.983 -1.554 209 HE22 GLN 32 2HE2 GLN 32 0.602 1.062 -2.842 210 H ARG 33 H ARG 33 1.432 5.354 2.517 211 HA ARG 33 HA ARG 33 3.724 6.650 1.646 212 HB2 ARG 33 1HB ARG 33 1.789 7.492 3.811 213 HB3 ARG 33 2HB ARG 33 2.969 8.552 3.053 214 HG2 ARG 33 1HG ARG 33 1.878 8.257 0.900 215 HG3 ARG 33 2HG ARG 33 0.711 7.155 1.634 216 HD2 ARG 33 1HD ARG 33 -0.277 8.870 2.898 217 HD3 ARG 33 2HD ARG 33 1.083 9.961 2.634 218 HE ARG 33 HE ARG 33 -0.050 9.359 0.151 219 HH11 ARG 33 1HH1 ARG 33 -0.862 11.034 3.093 220 HH12 ARG 33 2HH1 ARG 33 -1.925 12.158 2.313 221 HH21 ARG 33 1HH2 ARG 33 -1.447 10.833 -0.887 222 HH22 ARG 33 2HH2 ARG 33 -2.258 12.042 0.049 223 H VAL 34 H VAL 34 3.179 4.873 4.544 224 HA VAL 34 HA VAL 34 5.328 6.067 6.041 225 HB VAL 34 HB VAL 34 4.894 4.425 7.725 226 HG11 VAL 34 1HG1 VAL 34 3.172 6.288 7.156 227 HG12 VAL 34 2HG1 VAL 34 2.148 4.938 6.662 228 HG13 VAL 34 3HG1 VAL 34 2.746 5.033 8.319 229 HG21 VAL 34 3HG2 VAL 34 4.714 2.372 6.679 230 HG22 VAL 34 1HG2 VAL 34 3.048 2.676 7.171 231 HG23 VAL 34 2HG2 VAL 34 3.539 2.957 5.501 232 H HIS 35 H HIS 35 4.932 3.389 3.854 233 HA HIS 35 HA HIS 35 7.414 2.113 4.550 234 HB2 HIS 35 1HB HIS 35 5.440 1.727 2.303 235 HB3 HIS 35 2HB HIS 35 6.950 0.823 2.391 236 HD1 HIS 35 HD1 HIS 35 7.218 -0.760 4.528 237 HD2 HIS 35 HD2 HIS 35 3.405 0.744 3.849 238 HE1 HIS 35 HE1 HIS 35 5.676 -2.189 5.907 239 H MET 36 H MET 36 6.438 4.683 2.491 240 HA MET 36 HA MET 36 8.886 4.541 0.902 241 HB2 MET 36 1HB MET 36 7.916 6.165 -0.529 242 HB3 MET 36 2HB MET 36 6.627 5.036 -0.131 243 HG2 MET 36 1HG MET 36 5.722 6.585 1.487 244 HG3 MET 36 2HG MET 36 7.057 7.699 1.202 245 HE1 MET 36 3HE MET 36 3.925 6.633 -2.008 246 HE2 MET 36 1HE MET 36 4.993 5.486 -1.198 247 HE3 MET 36 2HE MET 36 3.661 6.226 -0.311 248 H GLY 37 H GLY 37 10.379 6.269 0.792 249 HA2 GLY 37 1HA GLY 37 10.341 7.997 3.189 250 HA3 GLY 37 2HA GLY 37 11.808 7.352 2.469 251 H GLU 38 H GLU 38 11.178 7.861 -0.244 252 HA GLU 38 HA GLU 38 11.384 10.796 -0.250 253 HB2 GLU 38 1HB GLU 38 13.275 9.202 -1.122 254 HB3 GLU 38 2HB GLU 38 12.257 9.092 -2.551 255 HG2 GLU 38 1HG GLU 38 12.288 11.677 -2.473 256 HG3 GLU 38 2HG GLU 38 13.697 11.458 -1.437 257 H LYS 39 H LYS 39 10.132 12.018 -1.600 258 HA LYS 39 HA LYS 39 8.070 10.579 -3.138 259 HB2 LYS 39 1HB LYS 39 6.488 12.320 -2.586 260 HB3 LYS 39 2HB LYS 39 7.180 11.683 -1.100 261 HG2 LYS 39 1HG LYS 39 8.827 13.657 -1.285 262 HG3 LYS 39 2HG LYS 39 7.648 14.327 -2.415 263 HD2 LYS 39 1HD LYS 39 5.916 13.899 -0.584 264 HD3 LYS 39 2HD LYS 39 7.293 13.673 0.497 265 HE2 LYS 39 1HE LYS 39 7.180 16.111 -1.214 266 HE3 LYS 39 2HE LYS 39 6.157 16.028 0.219 267 HZ1 LYS 39 3HZ LYS 39 8.552 16.996 0.366 268 HZ2 LYS 39 1HZ LYS 39 9.007 15.369 0.465 269 HZ3 LYS 39 2HZ LYS 39 7.953 16.024 1.614 270 H CYS 40 H CYS 40 8.101 10.959 -5.247 271 HA CYS 40 HA CYS 40 8.400 13.510 -6.406 272 HB2 CYS 40 1HB CYS 40 10.782 13.039 -5.690 273 HB3 CYS 40 2HB CYS 40 10.788 11.715 -6.849 274 HG CYS 40 HG CYS 40 10.617 13.247 -9.090 275 H SER 41 H SER 41 7.420 13.464 -8.326 276 HA SER 41 HA SER 41 7.309 10.907 -9.782 277 HB2 SER 41 1HB SER 41 5.169 11.622 -8.491 278 HB3 SER 41 2HB SER 41 4.987 12.818 -9.774 279 HG SER 41 HG SER 41 4.976 10.001 -9.969 280 H GLY 42 H GLY 42 6.744 14.415 -10.052 281 HA2 GLY 42 1HA GLY 42 7.245 15.895 -11.733 282 HA3 GLY 42 2HA GLY 42 8.444 14.730 -12.276 283 HA PRO 43 HA PRO 43 4.467 14.923 -14.997 284 HB2 PRO 43 1HB PRO 43 5.077 16.942 -16.707 285 HB3 PRO 43 2HB PRO 43 4.162 17.190 -15.215 286 HG2 PRO 43 1HG PRO 43 7.069 17.661 -15.756 287 HG3 PRO 43 2HG PRO 43 5.918 18.675 -14.866 288 HD2 PRO 43 1HD PRO 43 7.690 17.050 -13.623 289 HD3 PRO 43 2HD PRO 43 6.086 17.406 -12.950 290 H SER 44 H SER 44 4.692 13.303 -16.393 291 HA SER 44 HA SER 44 7.216 12.918 -17.793 292 HB2 SER 44 1HB SER 44 4.748 11.193 -17.525 293 HB3 SER 44 2HB SER 44 6.141 10.749 -18.511 294 HG SER 44 HG SER 44 6.585 9.842 -16.598 295 H SER 45 H SER 45 6.219 15.126 -18.810 296 HA SER 45 HA SER 45 5.237 14.301 -21.451 297 HB2 SER 45 1HB SER 45 3.392 15.277 -19.980 298 HB3 SER 45 2HB SER 45 4.254 16.811 -20.091 299 HG SER 45 HG SER 45 2.528 16.341 -21.703 300 H GLY 46 H GLY 46 5.454 16.201 -23.045 301 HA2 GLY 46 1HA GLY 46 6.680 18.271 -23.518 302 HA3 GLY 46 2HA GLY 46 7.947 17.674 -22.456 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.746 -27.387 -12.657 2 HA2 GLY 1 1HA GLY 1 -13.186 -29.694 -13.791 3 HA3 GLY 1 2HA GLY 1 -11.550 -29.091 -13.573 4 H SER 2 H SER 2 -10.840 -30.560 -12.093 5 HA SER 2 HA SER 2 -12.407 -31.198 -9.754 6 HB2 SER 2 1HB SER 2 -9.543 -31.930 -10.410 7 HB3 SER 2 2HB SER 2 -10.538 -32.648 -9.143 8 HG SER 2 HG SER 2 -11.225 -32.698 -11.893 9 H SER 3 H SER 3 -11.964 -28.471 -9.880 10 HA SER 3 HA SER 3 -10.775 -27.994 -7.329 11 HB2 SER 3 1HB SER 3 -9.082 -26.328 -8.192 12 HB3 SER 3 2HB SER 3 -8.691 -28.017 -8.513 13 HG SER 3 HG SER 3 -9.415 -25.987 -10.272 14 H GLY 4 H GLY 4 -11.479 -26.094 -6.430 15 HA2 GLY 4 1HA GLY 4 -12.256 -23.759 -7.617 16 HA3 GLY 4 2HA GLY 4 -13.670 -24.793 -7.757 17 H SER 5 H SER 5 -11.260 -23.995 -5.248 18 HA SER 5 HA SER 5 -13.479 -23.345 -3.440 19 HB2 SER 5 1HB SER 5 -12.889 -25.591 -2.819 20 HB3 SER 5 2HB SER 5 -11.169 -25.200 -2.829 21 HG SER 5 HG SER 5 -11.505 -23.871 -1.040 22 H SER 6 H SER 6 -12.889 -21.968 -1.664 23 HA SER 6 HA SER 6 -10.382 -20.486 -2.112 24 HB2 SER 6 1HB SER 6 -13.165 -19.464 -1.609 25 HB3 SER 6 2HB SER 6 -11.758 -18.493 -1.175 26 HG SER 6 HG SER 6 -12.182 -17.907 -3.223 27 H GLY 7 H GLY 7 -12.949 -21.103 0.285 28 HA2 GLY 7 1HA GLY 7 -12.425 -22.049 2.434 29 HA3 GLY 7 2HA GLY 7 -10.844 -21.288 2.337 30 H SER 8 H SER 8 -14.254 -20.248 2.167 31 HA SER 8 HA SER 8 -15.200 -18.273 2.895 32 HB2 SER 8 1HB SER 8 -15.199 -18.148 5.370 33 HB3 SER 8 2HB SER 8 -15.487 -19.788 4.788 34 HG SER 8 HG SER 8 -13.321 -20.270 5.235 35 H GLY 9 H GLY 9 -12.824 -17.651 1.633 36 HA2 GLY 9 1HA GLY 9 -11.417 -15.793 3.410 37 HA3 GLY 9 2HA GLY 9 -10.896 -16.282 1.805 38 H GLU 10 H GLU 10 -11.797 -13.682 3.426 39 HA GLU 10 HA GLU 10 -13.737 -12.560 1.613 40 HB2 GLU 10 1HB GLU 10 -13.326 -12.045 4.158 41 HB3 GLU 10 2HB GLU 10 -12.145 -10.904 3.531 42 HG2 GLU 10 1HG GLU 10 -13.729 -9.542 2.620 43 HG3 GLU 10 2HG GLU 10 -14.883 -10.854 2.388 44 H LYS 11 H LYS 11 -13.201 -10.245 0.780 45 HA LYS 11 HA LYS 11 -10.541 -10.309 -0.487 46 HB2 LYS 11 1HB LYS 11 -12.154 -10.839 -2.177 47 HB3 LYS 11 2HB LYS 11 -13.204 -9.521 -1.671 48 HG2 LYS 11 1HG LYS 11 -12.230 -8.640 -3.550 49 HG3 LYS 11 2HG LYS 11 -11.163 -8.026 -2.285 50 HD2 LYS 11 1HD LYS 11 -9.611 -8.835 -3.762 51 HD3 LYS 11 2HD LYS 11 -9.864 -10.270 -2.765 52 HE2 LYS 11 1HE LYS 11 -11.661 -10.907 -4.472 53 HE3 LYS 11 2HE LYS 11 -10.944 -9.669 -5.503 54 HZ1 LYS 11 3HZ LYS 11 -9.083 -11.567 -4.342 55 HZ2 LYS 11 1HZ LYS 11 -9.144 -10.926 -5.907 56 HZ3 LYS 11 2HZ LYS 11 -10.157 -12.211 -5.479 57 H SER 12 H SER 12 -9.318 -8.557 -0.205 58 HA SER 12 HA SER 12 -10.325 -5.912 -0.054 59 HB2 SER 12 1HB SER 12 -11.039 -6.561 2.178 60 HB3 SER 12 2HB SER 12 -9.427 -7.171 2.550 61 HG SER 12 HG SER 12 -8.771 -4.891 2.028 62 H HIS 13 H HIS 13 -8.713 -4.400 -0.270 63 HA HIS 13 HA HIS 13 -6.252 -5.222 -1.307 64 HB2 HIS 13 1HB HIS 13 -6.708 -2.512 -0.071 65 HB3 HIS 13 2HB HIS 13 -5.681 -2.929 -1.439 66 HD1 HIS 13 HD1 HIS 13 -6.776 -3.063 -3.742 67 HD2 HIS 13 HD2 HIS 13 -9.466 -2.300 -0.669 68 HE1 HIS 13 HE1 HIS 13 -8.923 -2.410 -4.875 69 H THR 14 H THR 14 -4.583 -6.103 -0.302 70 HA THR 14 HA THR 14 -4.090 -5.386 2.514 71 HB THR 14 HB THR 14 -3.381 -7.939 1.057 72 HG1 THR 14 HG1 THR 14 -5.399 -8.299 1.657 73 HG21 THR 14 3HG2 THR 14 -2.265 -8.692 2.937 74 HG22 THR 14 1HG2 THR 14 -3.066 -7.539 4.004 75 HG23 THR 14 2HG2 THR 14 -1.797 -6.992 2.908 76 H CYS 15 H CYS 15 -2.128 -4.630 3.107 77 HA CYS 15 HA CYS 15 -0.337 -3.754 1.047 78 HB2 CYS 15 1HB CYS 15 -0.853 -2.468 3.151 79 HB3 CYS 15 2HB CYS 15 0.099 -3.655 4.036 80 H ASP 16 H ASP 16 1.179 -4.970 0.155 81 HA ASP 16 HA ASP 16 2.012 -7.455 1.314 82 HB2 ASP 16 1HB ASP 16 2.538 -5.985 -1.219 83 HB3 ASP 16 2HB ASP 16 3.726 -7.185 -0.718 84 H GLU 17 H GLU 17 3.049 -4.232 1.577 85 HA GLU 17 HA GLU 17 5.824 -4.648 1.991 86 HB2 GLU 17 1HB GLU 17 4.080 -2.419 3.052 87 HB3 GLU 17 2HB GLU 17 5.833 -2.397 2.928 88 HG2 GLU 17 1HG GLU 17 4.242 -2.872 0.464 89 HG3 GLU 17 2HG GLU 17 4.315 -1.240 1.127 90 H CYS 18 H CYS 18 3.029 -4.570 4.145 91 HA CYS 18 HA CYS 18 4.737 -5.676 6.273 92 HB2 CYS 18 1HB CYS 18 3.384 -4.455 7.932 93 HB3 CYS 18 2HB CYS 18 4.211 -3.359 6.830 94 H GLY 19 H GLY 19 1.519 -5.468 4.843 95 HA2 GLY 19 1HA GLY 19 0.379 -7.630 4.518 96 HA3 GLY 19 2HA GLY 19 0.877 -8.039 6.154 97 H LYS 20 H LYS 20 -0.053 -4.796 5.791 98 HA LYS 20 HA LYS 20 -2.235 -5.061 7.570 99 HB2 LYS 20 1HB LYS 20 -1.085 -2.842 5.935 100 HB3 LYS 20 2HB LYS 20 -2.684 -2.627 6.637 101 HG2 LYS 20 1HG LYS 20 -0.418 -3.535 8.354 102 HG3 LYS 20 2HG LYS 20 -0.582 -1.829 7.929 103 HD2 LYS 20 1HD LYS 20 -3.076 -2.242 8.699 104 HD3 LYS 20 2HD LYS 20 -2.327 -3.549 9.620 105 HE2 LYS 20 1HE LYS 20 -1.555 -0.634 9.723 106 HE3 LYS 20 2HE LYS 20 -2.482 -1.502 10.945 107 HZ1 LYS 20 3HZ LYS 20 -0.419 -3.047 10.963 108 HZ2 LYS 20 1HZ LYS 20 -0.370 -1.578 11.802 109 HZ3 LYS 20 2HZ LYS 20 0.376 -1.713 10.290 110 H ASN 21 H ASN 21 -4.460 -4.250 7.080 111 HA ASN 21 HA ASN 21 -5.322 -5.101 4.394 112 HB2 ASN 21 1HB ASN 21 -6.612 -5.641 7.071 113 HB3 ASN 21 2HB ASN 21 -7.461 -5.846 5.542 114 HD21 ASN 21 1HD2 ASN 21 -7.108 -7.630 4.344 115 HD22 ASN 21 2HD2 ASN 21 -6.035 -8.907 4.795 116 H PHE 22 H PHE 22 -6.701 -3.792 3.323 117 HA PHE 22 HA PHE 22 -8.042 -1.633 4.767 118 HB2 PHE 22 1HB PHE 22 -6.405 -1.099 2.283 119 HB3 PHE 22 2HB PHE 22 -7.237 0.084 3.287 120 HD1 PHE 22 HD2 PHE 22 -4.361 -2.192 3.085 121 HD2 PHE 22 HD1 PHE 22 -6.268 0.896 5.307 122 HE1 PHE 22 HE2 PHE 22 -2.315 -1.892 4.418 123 HE2 PHE 22 HE1 PHE 22 -4.225 1.202 6.643 124 HZ PHE 22 HZ PHE 22 -2.245 -0.194 6.200 125 H CYS 23 H CYS 23 -10.112 -1.910 4.279 126 HA CYS 23 HA CYS 23 -11.151 -3.373 2.172 127 HB2 CYS 23 1HB CYS 23 -12.320 -2.481 4.288 128 HB3 CYS 23 2HB CYS 23 -12.606 -1.018 3.355 129 HG CYS 23 HG CYS 23 -14.489 -1.938 1.780 130 H TYR 24 H TYR 24 -10.472 0.091 2.361 131 HA TYR 24 HA TYR 24 -11.146 0.334 -0.492 132 HB2 TYR 24 1HB TYR 24 -10.895 2.890 0.233 133 HB3 TYR 24 2HB TYR 24 -12.399 2.000 0.446 134 HD1 TYR 24 HD2 TYR 24 -12.776 0.878 2.738 135 HD2 TYR 24 HD1 TYR 24 -9.869 3.910 2.061 136 HE1 TYR 24 HE2 TYR 24 -12.722 1.356 5.150 137 HE2 TYR 24 HE1 TYR 24 -9.806 4.396 4.472 138 HH TYR 24 HH TYR 24 -12.093 3.010 6.686 139 H ILE 25 H ILE 25 -9.494 0.349 -1.849 140 HA ILE 25 HA ILE 25 -6.843 0.206 -1.311 141 HB ILE 25 HB ILE 25 -8.055 0.110 -3.590 142 HG12 ILE 25 1HG1 ILE 25 -5.892 0.744 -4.769 143 HG13 ILE 25 2HG1 ILE 25 -5.290 1.256 -3.196 144 HG21 ILE 25 1HG2 ILE 25 -7.879 2.115 -4.954 145 HG22 ILE 25 2HG2 ILE 25 -8.886 2.415 -3.539 146 HG23 ILE 25 3HG2 ILE 25 -7.227 3.009 -3.581 147 HD11 ILE 25 3HD1 ILE 25 -4.480 -0.851 -3.212 148 HD12 ILE 25 1HD1 ILE 25 -6.075 -1.195 -2.543 149 HD13 ILE 25 2HD1 ILE 25 -5.762 -1.458 -4.259 150 H SER 26 H SER 26 -8.665 3.212 -1.831 151 HA SER 26 HA SER 26 -6.745 5.112 -1.796 152 HB2 SER 26 1HB SER 26 -9.386 5.132 -0.325 153 HB3 SER 26 2HB SER 26 -8.372 6.562 -0.516 154 HG SER 26 HG SER 26 -9.859 6.538 -2.176 155 H ALA 27 H ALA 27 -8.032 3.463 1.069 156 HA ALA 27 HA ALA 27 -6.535 4.867 2.987 157 HB1 ALA 27 3HB ALA 27 -7.926 3.692 4.257 158 HB2 ALA 27 1HB ALA 27 -8.283 2.584 2.931 159 HB3 ALA 27 2HB ALA 27 -6.901 2.282 3.986 160 H LEU 28 H LEU 28 -5.894 1.750 1.390 161 HA LEU 28 HA LEU 28 -3.529 1.073 2.634 162 HB2 LEU 28 1HB LEU 28 -4.303 -0.573 1.247 163 HB3 LEU 28 2HB LEU 28 -4.684 0.553 -0.054 164 HG LEU 28 HG LEU 28 -2.194 0.748 -0.445 165 HD11 LEU 28 1HD1 LEU 28 -1.659 -1.853 0.730 166 HD12 LEU 28 2HD1 LEU 28 -2.023 -0.622 1.939 167 HD13 LEU 28 3HD1 LEU 28 -0.712 -0.366 0.788 168 HD21 LEU 28 3HD2 LEU 28 -2.825 -0.558 -2.130 169 HD22 LEU 28 1HD2 LEU 28 -4.031 -1.371 -1.132 170 HD23 LEU 28 2HD2 LEU 28 -2.362 -1.942 -1.140 171 H ARG 29 H ARG 29 -3.975 3.131 -0.226 172 HA ARG 29 HA ARG 29 -1.295 3.622 -0.796 173 HB2 ARG 29 1HB ARG 29 -3.466 5.686 -1.115 174 HB3 ARG 29 2HB ARG 29 -2.031 5.457 -2.105 175 HG2 ARG 29 1HG ARG 29 -4.439 3.658 -1.966 176 HG3 ARG 29 2HG ARG 29 -3.952 4.690 -3.312 177 HD2 ARG 29 1HD ARG 29 -1.722 3.269 -3.094 178 HD3 ARG 29 2HD ARG 29 -2.836 2.094 -2.397 179 HE ARG 29 HE ARG 29 -3.947 3.023 -4.782 180 HH11 ARG 29 1HH1 ARG 29 -1.198 1.181 -3.700 181 HH12 ARG 29 2HH1 ARG 29 -1.088 0.245 -5.154 182 HH21 ARG 29 1HH2 ARG 29 -3.813 1.798 -6.701 183 HH22 ARG 29 2HH2 ARG 29 -2.576 0.598 -6.860 184 H ILE 30 H ILE 30 -3.504 5.364 1.365 185 HA ILE 30 HA ILE 30 -1.726 7.408 2.108 186 HB ILE 30 HB ILE 30 -4.010 6.213 3.682 187 HG12 ILE 30 1HG1 ILE 30 -4.065 8.832 2.220 188 HG13 ILE 30 2HG1 ILE 30 -4.349 7.332 1.344 189 HG21 ILE 30 1HG2 ILE 30 -3.978 8.243 5.000 190 HG22 ILE 30 2HG2 ILE 30 -2.413 7.439 5.098 191 HG23 ILE 30 3HG2 ILE 30 -2.613 8.856 4.069 192 HD11 ILE 30 3HD1 ILE 30 -5.996 8.625 3.466 193 HD12 ILE 30 1HD1 ILE 30 -6.479 8.011 1.885 194 HD13 ILE 30 2HD1 ILE 30 -6.107 6.886 3.192 195 H HIS 31 H HIS 31 -2.287 4.185 3.430 196 HA HIS 31 HA HIS 31 -0.613 4.507 5.705 197 HB2 HIS 31 1HB HIS 31 -2.076 2.747 5.992 198 HB3 HIS 31 2HB HIS 31 -1.917 2.203 4.325 199 HD1 HIS 31 HD1 HIS 31 -0.151 2.036 7.648 200 HD2 HIS 31 HD2 HIS 31 -0.004 0.263 3.893 201 HE1 HIS 31 HE1 HIS 31 1.433 0.097 7.882 202 H GLN 32 H GLN 32 -0.108 3.113 2.485 203 HA GLN 32 HA GLN 32 2.377 2.018 2.720 204 HB2 GLN 32 1HB GLN 32 1.092 3.543 0.477 205 HB3 GLN 32 2HB GLN 32 2.729 2.923 0.312 206 HG2 GLN 32 1HG GLN 32 1.698 0.668 1.028 207 HG3 GLN 32 2HG GLN 32 0.163 1.420 0.596 208 HE21 GLN 32 1HE2 GLN 32 0.113 2.426 -1.602 209 HE22 GLN 32 2HE2 GLN 32 0.898 1.571 -2.881 210 H ARG 33 H ARG 33 1.545 5.406 2.715 211 HA ARG 33 HA ARG 33 3.895 6.659 2.108 212 HB2 ARG 33 1HB ARG 33 1.941 7.338 4.311 213 HB3 ARG 33 2HB ARG 33 3.213 8.418 3.756 214 HG2 ARG 33 1HG ARG 33 2.206 8.361 1.492 215 HG3 ARG 33 2HG ARG 33 0.881 7.398 2.150 216 HD2 ARG 33 1HD ARG 33 0.282 9.763 2.012 217 HD3 ARG 33 2HD ARG 33 0.315 9.205 3.683 218 HE ARG 33 HE ARG 33 2.083 11.135 2.451 219 HH11 ARG 33 1HH1 ARG 33 1.518 8.997 5.140 220 HH12 ARG 33 2HH1 ARG 33 2.590 9.842 6.206 221 HH21 ARG 33 1HH2 ARG 33 3.497 12.257 3.845 222 HH22 ARG 33 2HH2 ARG 33 3.715 11.697 5.469 223 H VAL 34 H VAL 34 3.076 4.970 5.083 224 HA VAL 34 HA VAL 34 5.265 5.800 6.638 225 HB VAL 34 HB VAL 34 4.779 3.991 8.106 226 HG11 VAL 34 1HG1 VAL 34 2.832 5.767 7.215 227 HG12 VAL 34 2HG1 VAL 34 2.010 4.209 7.314 228 HG13 VAL 34 3HG1 VAL 34 2.831 4.865 8.730 229 HG21 VAL 34 3HG2 VAL 34 4.739 2.069 6.800 230 HG22 VAL 34 1HG2 VAL 34 3.057 2.237 7.305 231 HG23 VAL 34 2HG2 VAL 34 3.545 2.733 5.684 232 H HIS 35 H HIS 35 4.902 3.227 4.271 233 HA HIS 35 HA HIS 35 7.414 1.987 4.842 234 HB2 HIS 35 1HB HIS 35 5.482 1.766 2.537 235 HB3 HIS 35 2HB HIS 35 6.997 0.870 2.587 236 HD1 HIS 35 HD1 HIS 35 7.241 -0.785 4.726 237 HD2 HIS 35 HD2 HIS 35 3.414 0.556 3.823 238 HE1 HIS 35 HE1 HIS 35 5.680 -2.355 5.918 239 H MET 36 H MET 36 6.524 4.816 3.227 240 HA MET 36 HA MET 36 8.835 4.807 1.449 241 HB2 MET 36 1HB MET 36 6.777 6.982 1.850 242 HB3 MET 36 2HB MET 36 7.936 6.854 0.534 243 HG2 MET 36 1HG MET 36 5.835 4.772 1.032 244 HG3 MET 36 2HG MET 36 5.545 6.196 0.035 245 HE1 MET 36 3HE MET 36 5.643 2.896 -1.755 246 HE2 MET 36 1HE MET 36 4.705 4.313 -1.282 247 HE3 MET 36 2HE MET 36 5.551 4.292 -2.830 248 H GLY 37 H GLY 37 9.712 4.671 3.992 249 HA2 GLY 37 1HA GLY 37 10.542 7.435 4.628 250 HA3 GLY 37 2HA GLY 37 10.381 6.159 5.826 251 H GLU 38 H GLU 38 12.515 7.823 3.858 252 HA GLU 38 HA GLU 38 14.669 7.467 3.154 253 HB2 GLU 38 1HB GLU 38 16.167 6.844 4.942 254 HB3 GLU 38 2HB GLU 38 14.878 7.844 5.598 255 HG2 GLU 38 1HG GLU 38 13.838 6.019 6.636 256 HG3 GLU 38 2HG GLU 38 14.765 4.851 5.697 257 H LYS 39 H LYS 39 12.722 5.319 2.498 258 HA LYS 39 HA LYS 39 12.695 3.258 1.537 259 HB2 LYS 39 1HB LYS 39 15.490 4.200 1.150 260 HB3 LYS 39 2HB LYS 39 15.156 2.505 0.822 261 HG2 LYS 39 1HG LYS 39 14.823 3.429 -1.243 262 HG3 LYS 39 2HG LYS 39 13.183 3.468 -0.592 263 HD2 LYS 39 1HD LYS 39 14.938 5.819 -0.106 264 HD3 LYS 39 2HD LYS 39 14.287 5.591 -1.731 265 HE2 LYS 39 1HE LYS 39 12.458 5.389 0.617 266 HE3 LYS 39 2HE LYS 39 12.972 6.982 0.063 267 HZ1 LYS 39 3HZ LYS 39 11.773 4.963 -1.745 268 HZ2 LYS 39 1HZ LYS 39 12.015 6.611 -2.044 269 HZ3 LYS 39 2HZ LYS 39 10.851 6.118 -0.921 270 H CYS 40 H CYS 40 12.646 3.213 4.288 271 HA CYS 40 HA CYS 40 14.594 1.418 5.363 272 HB2 CYS 40 1HB CYS 40 13.103 1.347 7.335 273 HB3 CYS 40 2HB CYS 40 13.445 2.993 6.819 274 HG CYS 40 HG CYS 40 10.840 3.104 7.567 275 H SER 41 H SER 41 14.145 -0.020 3.352 276 HA SER 41 HA SER 41 11.832 -1.720 3.518 277 HB2 SER 41 1HB SER 41 14.276 -1.633 1.775 278 HB3 SER 41 2HB SER 41 13.230 -3.053 1.760 279 HG SER 41 HG SER 41 12.852 -0.633 0.614 280 H GLY 42 H GLY 42 15.328 -2.435 3.712 281 HA2 GLY 42 1HA GLY 42 15.019 -5.015 4.775 282 HA3 GLY 42 2HA GLY 42 16.477 -4.040 4.882 283 HA PRO 43 HA PRO 43 14.930 -4.684 9.184 284 HB2 PRO 43 1HB PRO 43 17.389 -5.149 10.237 285 HB3 PRO 43 2HB PRO 43 16.403 -6.418 9.501 286 HG2 PRO 43 1HG PRO 43 18.682 -4.870 8.328 287 HG3 PRO 43 2HG PRO 43 18.331 -6.605 8.214 288 HD2 PRO 43 1HD PRO 43 17.753 -4.867 6.219 289 HD3 PRO 43 2HD PRO 43 16.768 -6.307 6.546 290 H SER 44 H SER 44 14.380 -2.533 9.501 291 HA SER 44 HA SER 44 16.600 -0.723 10.195 292 HB2 SER 44 1HB SER 44 15.159 -0.088 8.199 293 HB3 SER 44 2HB SER 44 13.835 0.144 9.340 294 HG SER 44 HG SER 44 16.254 1.396 9.919 295 H SER 45 H SER 45 16.741 -0.137 12.252 296 HA SER 45 HA SER 45 14.480 -0.694 14.030 297 HB2 SER 45 1HB SER 45 16.889 -1.563 14.431 298 HB3 SER 45 2HB SER 45 17.237 0.087 14.949 299 HG SER 45 HG SER 45 14.970 -1.093 16.029 300 H GLY 46 H GLY 46 13.197 1.117 13.630 301 HA2 GLY 46 1HA GLY 46 12.743 3.161 14.980 302 HA3 GLY 46 2HA GLY 46 14.362 3.679 14.535 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.926 -28.609 -1.496 2 HA2 GLY 1 1HA GLY 1 5.036 -26.421 -1.603 3 HA3 GLY 1 2HA GLY 1 3.996 -27.328 -2.691 4 H SER 2 H SER 2 4.289 -26.830 0.831 5 HA SER 2 HA SER 2 1.366 -26.722 0.991 6 HB2 SER 2 1HB SER 2 3.549 -27.282 2.965 7 HB3 SER 2 2HB SER 2 1.989 -26.701 3.547 8 HG SER 2 HG SER 2 2.018 -28.814 1.717 9 H SER 3 H SER 3 0.259 -24.967 1.756 10 HA SER 3 HA SER 3 1.587 -22.692 2.894 11 HB2 SER 3 1HB SER 3 1.916 -22.599 0.308 12 HB3 SER 3 2HB SER 3 0.216 -22.129 0.280 13 HG SER 3 HG SER 3 2.405 -20.792 1.454 14 H GLY 4 H GLY 4 0.191 -21.405 4.012 15 HA2 GLY 4 1HA GLY 4 -2.692 -21.809 3.577 16 HA3 GLY 4 2HA GLY 4 -2.019 -22.021 5.186 17 H SER 5 H SER 5 -3.979 -20.252 5.020 18 HA SER 5 HA SER 5 -2.623 -17.634 5.014 19 HB2 SER 5 1HB SER 5 -4.228 -17.598 3.246 20 HB3 SER 5 2HB SER 5 -5.462 -18.344 4.263 21 HG SER 5 HG SER 5 -5.952 -16.447 5.015 22 H SER 6 H SER 6 -2.672 -16.477 6.842 23 HA SER 6 HA SER 6 -3.877 -17.665 9.189 24 HB2 SER 6 1HB SER 6 -1.552 -16.452 8.958 25 HB3 SER 6 2HB SER 6 -2.512 -14.998 9.230 26 HG SER 6 HG SER 6 -1.583 -16.206 11.127 27 H GLY 7 H GLY 7 -4.126 -14.578 7.434 28 HA2 GLY 7 1HA GLY 7 -6.314 -13.667 9.071 29 HA3 GLY 7 2HA GLY 7 -5.679 -12.872 7.638 30 H SER 8 H SER 8 -8.440 -13.189 8.323 31 HA SER 8 HA SER 8 -9.310 -14.839 6.044 32 HB2 SER 8 1HB SER 8 -9.974 -16.003 8.056 33 HB3 SER 8 2HB SER 8 -10.665 -14.528 8.732 34 HG SER 8 HG SER 8 -12.035 -16.230 7.522 35 H GLY 9 H GLY 9 -9.528 -13.181 4.591 36 HA2 GLY 9 1HA GLY 9 -11.555 -11.144 5.282 37 HA3 GLY 9 2HA GLY 9 -10.116 -10.750 4.352 38 H GLU 10 H GLU 10 -11.357 -9.996 2.609 39 HA GLU 10 HA GLU 10 -11.996 -11.975 0.672 40 HB2 GLU 10 1HB GLU 10 -14.040 -12.170 1.992 41 HB3 GLU 10 2HB GLU 10 -14.302 -10.436 1.878 42 HG2 GLU 10 1HG GLU 10 -15.665 -11.914 0.339 43 HG3 GLU 10 2HG GLU 10 -14.831 -10.546 -0.396 44 H LYS 11 H LYS 11 -11.415 -11.110 -1.197 45 HA LYS 11 HA LYS 11 -10.569 -9.469 -2.594 46 HB2 LYS 11 1HB LYS 11 -13.012 -9.880 -3.148 47 HB3 LYS 11 2HB LYS 11 -13.372 -8.401 -2.267 48 HG2 LYS 11 1HG LYS 11 -11.940 -7.145 -3.811 49 HG3 LYS 11 2HG LYS 11 -11.621 -8.632 -4.707 50 HD2 LYS 11 1HD LYS 11 -13.339 -7.774 -5.954 51 HD3 LYS 11 2HD LYS 11 -14.255 -8.739 -4.795 52 HE2 LYS 11 1HE LYS 11 -13.627 -5.912 -4.107 53 HE3 LYS 11 2HE LYS 11 -14.879 -6.223 -5.309 54 HZ1 LYS 11 3HZ LYS 11 -14.993 -6.507 -2.481 55 HZ2 LYS 11 1HZ LYS 11 -15.414 -7.955 -3.248 56 HZ3 LYS 11 2HZ LYS 11 -16.251 -6.532 -3.611 57 H SER 12 H SER 12 -9.848 -8.822 0.016 58 HA SER 12 HA SER 12 -10.324 -5.924 0.178 59 HB2 SER 12 1HB SER 12 -10.914 -7.152 2.209 60 HB3 SER 12 2HB SER 12 -9.295 -7.846 2.281 61 HG SER 12 HG SER 12 -9.737 -5.917 3.621 62 H HIS 13 H HIS 13 -8.620 -4.483 0.295 63 HA HIS 13 HA HIS 13 -6.198 -5.321 -0.994 64 HB2 HIS 13 1HB HIS 13 -6.680 -2.625 0.265 65 HB3 HIS 13 2HB HIS 13 -5.626 -3.022 -1.088 66 HD1 HIS 13 HD1 HIS 13 -6.670 -3.108 -3.410 67 HD2 HIS 13 HD2 HIS 13 -9.437 -2.453 -0.381 68 HE1 HIS 13 HE1 HIS 13 -8.803 -2.463 -4.576 69 H THR 14 H THR 14 -4.532 -6.207 0.014 70 HA THR 14 HA THR 14 -4.056 -5.511 2.838 71 HB THR 14 HB THR 14 -3.330 -8.058 1.376 72 HG1 THR 14 HG1 THR 14 -5.585 -7.718 2.047 73 HG21 THR 14 3HG2 THR 14 -3.057 -7.592 4.328 74 HG22 THR 14 1HG2 THR 14 -1.750 -7.179 3.219 75 HG23 THR 14 2HG2 THR 14 -2.319 -8.845 3.330 76 H CYS 15 H CYS 15 -2.082 -4.793 3.455 77 HA CYS 15 HA CYS 15 -0.280 -3.904 1.405 78 HB2 CYS 15 1HB CYS 15 -0.822 -2.649 3.540 79 HB3 CYS 15 2HB CYS 15 0.180 -3.822 4.388 80 H ASP 16 H ASP 16 1.091 -5.261 0.464 81 HA ASP 16 HA ASP 16 1.951 -7.702 1.648 82 HB2 ASP 16 1HB ASP 16 3.658 -7.469 -0.391 83 HB3 ASP 16 2HB ASP 16 1.973 -7.926 -0.628 84 H GLU 17 H GLU 17 3.130 -4.471 1.706 85 HA GLU 17 HA GLU 17 5.863 -4.962 2.190 86 HB2 GLU 17 1HB GLU 17 4.066 -2.655 2.929 87 HB3 GLU 17 2HB GLU 17 5.791 -2.664 3.267 88 HG2 GLU 17 1HG GLU 17 4.909 -3.223 0.490 89 HG3 GLU 17 2HG GLU 17 4.801 -1.568 1.085 90 H CYS 18 H CYS 18 3.158 -4.395 4.431 91 HA CYS 18 HA CYS 18 4.826 -5.511 6.589 92 HB2 CYS 18 1HB CYS 18 3.412 -4.248 8.158 93 HB3 CYS 18 2HB CYS 18 4.196 -3.183 6.996 94 H GLY 19 H GLY 19 1.566 -5.435 5.206 95 HA2 GLY 19 1HA GLY 19 0.489 -7.641 4.942 96 HA3 GLY 19 2HA GLY 19 1.044 -8.005 6.569 97 H LYS 20 H LYS 20 -0.073 -4.810 6.013 98 HA LYS 20 HA LYS 20 -2.197 -5.131 7.898 99 HB2 LYS 20 1HB LYS 20 -1.136 -2.865 6.254 100 HB3 LYS 20 2HB LYS 20 -2.702 -2.701 7.036 101 HG2 LYS 20 1HG LYS 20 -0.414 -3.630 8.682 102 HG3 LYS 20 2HG LYS 20 -0.470 -1.931 8.209 103 HD2 LYS 20 1HD LYS 20 -2.855 -1.922 9.090 104 HD3 LYS 20 2HD LYS 20 -2.483 -3.488 9.814 105 HE2 LYS 20 1HE LYS 20 -1.992 -2.061 11.551 106 HE3 LYS 20 2HE LYS 20 -0.414 -2.222 10.782 107 HZ1 LYS 20 3HZ LYS 20 -2.193 -0.048 9.929 108 HZ2 LYS 20 1HZ LYS 20 -0.503 -0.111 9.944 109 HZ3 LYS 20 2HZ LYS 20 -1.353 0.112 11.389 110 H ASN 21 H ASN 21 -4.436 -4.311 7.406 111 HA ASN 21 HA ASN 21 -5.293 -5.201 4.731 112 HB2 ASN 21 1HB ASN 21 -6.534 -5.732 7.426 113 HB3 ASN 21 2HB ASN 21 -7.454 -5.884 5.931 114 HD21 ASN 21 1HD2 ASN 21 -7.523 -8.103 7.061 115 HD22 ASN 21 2HD2 ASN 21 -6.341 -9.242 6.520 116 H PHE 22 H PHE 22 -6.712 -3.934 3.648 117 HA PHE 22 HA PHE 22 -8.017 -1.728 5.053 118 HB2 PHE 22 1HB PHE 22 -6.408 -1.294 2.531 119 HB3 PHE 22 2HB PHE 22 -7.254 -0.069 3.470 120 HD1 PHE 22 HD2 PHE 22 -4.333 -2.278 3.346 121 HD2 PHE 22 HD1 PHE 22 -6.320 0.813 5.494 122 HE1 PHE 22 HE2 PHE 22 -2.293 -1.887 4.665 123 HE2 PHE 22 HE1 PHE 22 -4.283 1.209 6.815 124 HZ PHE 22 HZ PHE 22 -2.267 -0.143 6.403 125 H CYS 23 H CYS 23 -10.098 -2.035 4.628 126 HA CYS 23 HA CYS 23 -11.184 -3.551 2.584 127 HB2 CYS 23 1HB CYS 23 -12.266 -1.396 4.355 128 HB3 CYS 23 2HB CYS 23 -13.261 -1.991 3.032 129 HG CYS 23 HG CYS 23 -12.393 -4.721 4.270 130 H TYR 24 H TYR 24 -10.513 -0.082 2.669 131 HA TYR 24 HA TYR 24 -11.271 0.094 -0.168 132 HB2 TYR 24 1HB TYR 24 -10.971 2.664 0.483 133 HB3 TYR 24 2HB TYR 24 -12.474 1.795 0.775 134 HD1 TYR 24 HD2 TYR 24 -12.601 0.591 3.129 135 HD2 TYR 24 HD1 TYR 24 -10.040 3.866 2.223 136 HE1 TYR 24 HE2 TYR 24 -12.452 1.130 5.524 137 HE2 TYR 24 HE1 TYR 24 -9.883 4.413 4.615 138 HH TYR 24 HH TYR 24 -11.718 3.783 6.771 139 H ILE 25 H ILE 25 -9.706 0.193 -1.625 140 HA ILE 25 HA ILE 25 -7.026 -0.021 -1.183 141 HB ILE 25 HB ILE 25 -8.147 -0.240 -3.401 142 HG12 ILE 25 1HG1 ILE 25 -6.223 0.860 -4.689 143 HG13 ILE 25 2HG1 ILE 25 -5.651 1.428 -3.124 144 HG21 ILE 25 1HG2 ILE 25 -8.592 1.661 -4.760 145 HG22 ILE 25 2HG2 ILE 25 -9.382 1.934 -3.208 146 HG23 ILE 25 3HG2 ILE 25 -7.864 2.751 -3.580 147 HD11 ILE 25 3HD1 ILE 25 -5.987 -1.194 -2.602 148 HD12 ILE 25 1HD1 ILE 25 -5.564 -1.251 -4.312 149 HD13 ILE 25 2HD1 ILE 25 -4.476 -0.477 -3.159 150 H SER 26 H SER 26 -8.828 3.006 -1.652 151 HA SER 26 HA SER 26 -6.890 4.884 -1.700 152 HB2 SER 26 1HB SER 26 -9.317 5.107 0.092 153 HB3 SER 26 2HB SER 26 -8.424 6.430 -0.657 154 HG SER 26 HG SER 26 -9.391 6.052 -2.509 155 H ALA 27 H ALA 27 -8.171 3.426 1.285 156 HA ALA 27 HA ALA 27 -6.568 4.766 3.114 157 HB1 ALA 27 3HB ALA 27 -8.336 2.526 3.142 158 HB2 ALA 27 1HB ALA 27 -6.891 2.134 4.074 159 HB3 ALA 27 2HB ALA 27 -7.840 3.566 4.477 160 H LEU 28 H LEU 28 -5.977 1.569 1.643 161 HA LEU 28 HA LEU 28 -3.536 0.995 2.767 162 HB2 LEU 28 1HB LEU 28 -4.511 -0.684 1.478 163 HB3 LEU 28 2HB LEU 28 -4.710 0.375 0.083 164 HG LEU 28 HG LEU 28 -2.221 0.332 -0.197 165 HD11 LEU 28 1HD1 LEU 28 -2.336 -0.912 2.329 166 HD12 LEU 28 2HD1 LEU 28 -0.914 -0.579 1.341 167 HD13 LEU 28 3HD1 LEU 28 -1.754 -2.121 1.184 168 HD21 LEU 28 3HD2 LEU 28 -2.241 -1.658 -1.416 169 HD22 LEU 28 1HD2 LEU 28 -3.936 -1.175 -1.365 170 HD23 LEU 28 2HD2 LEU 28 -3.350 -2.446 -0.292 171 H ARG 29 H ARG 29 -4.161 2.889 -0.172 172 HA ARG 29 HA ARG 29 -1.524 3.378 -0.913 173 HB2 ARG 29 1HB ARG 29 -3.836 5.302 -1.213 174 HB3 ARG 29 2HB ARG 29 -2.372 5.252 -2.187 175 HG2 ARG 29 1HG ARG 29 -4.325 2.973 -2.057 176 HG3 ARG 29 2HG ARG 29 -4.437 4.277 -3.240 177 HD2 ARG 29 1HD ARG 29 -2.140 2.359 -2.873 178 HD3 ARG 29 2HD ARG 29 -3.287 2.387 -4.212 179 HE ARG 29 HE ARG 29 -2.213 4.849 -4.320 180 HH11 ARG 29 1HH1 ARG 29 -0.796 1.676 -4.110 181 HH12 ARG 29 2HH1 ARG 29 0.639 2.117 -4.975 182 HH21 ARG 29 1HH2 ARG 29 -0.328 5.442 -5.460 183 HH22 ARG 29 2HH2 ARG 29 0.905 4.259 -5.742 184 H ILE 30 H ILE 30 -3.606 5.123 1.352 185 HA ILE 30 HA ILE 30 -1.812 7.245 1.869 186 HB ILE 30 HB ILE 30 -4.013 6.126 3.609 187 HG12 ILE 30 1HG1 ILE 30 -4.108 8.651 1.976 188 HG13 ILE 30 2HG1 ILE 30 -4.519 7.095 1.262 189 HG21 ILE 30 1HG2 ILE 30 -2.013 8.131 4.129 190 HG22 ILE 30 2HG2 ILE 30 -3.629 8.831 4.174 191 HG23 ILE 30 3HG2 ILE 30 -3.235 7.459 5.208 192 HD11 ILE 30 3HD1 ILE 30 -6.384 8.601 2.231 193 HD12 ILE 30 1HD1 ILE 30 -6.420 6.866 2.541 194 HD13 ILE 30 2HD1 ILE 30 -5.842 7.973 3.787 195 H HIS 31 H HIS 31 -2.325 4.106 3.409 196 HA HIS 31 HA HIS 31 -0.545 4.529 5.573 197 HB2 HIS 31 1HB HIS 31 -1.964 2.769 6.007 198 HB3 HIS 31 2HB HIS 31 -1.896 2.166 4.353 199 HD1 HIS 31 HD1 HIS 31 0.043 2.117 7.581 200 HD2 HIS 31 HD2 HIS 31 0.012 0.227 3.881 201 HE1 HIS 31 HE1 HIS 31 1.650 0.195 7.795 202 H GLN 32 H GLN 32 -0.162 2.928 2.426 203 HA GLN 32 HA GLN 32 2.370 1.922 2.635 204 HB2 GLN 32 1HB GLN 32 0.980 3.234 0.309 205 HB3 GLN 32 2HB GLN 32 2.582 2.524 0.150 206 HG2 GLN 32 1HG GLN 32 1.616 0.376 0.992 207 HG3 GLN 32 2HG GLN 32 0.024 1.125 0.879 208 HE21 GLN 32 1HE2 GLN 32 -0.820 1.624 -1.157 209 HE22 GLN 32 2HE2 GLN 32 -0.206 0.897 -2.599 210 H ARG 33 H ARG 33 1.422 5.273 2.262 211 HA ARG 33 HA ARG 33 3.709 6.513 1.451 212 HB2 ARG 33 1HB ARG 33 1.907 7.436 3.697 213 HB3 ARG 33 2HB ARG 33 3.014 8.454 2.786 214 HG2 ARG 33 1HG ARG 33 1.715 7.827 0.723 215 HG3 ARG 33 2HG ARG 33 0.524 7.095 1.800 216 HD2 ARG 33 1HD ARG 33 -0.167 9.338 1.226 217 HD3 ARG 33 2HD ARG 33 0.257 9.266 2.935 218 HE ARG 33 HE ARG 33 2.550 10.103 1.847 219 HH11 ARG 33 1HH1 ARG 33 -0.737 11.155 1.386 220 HH12 ARG 33 2HH1 ARG 33 -0.300 12.794 1.032 221 HH21 ARG 33 1HH2 ARG 33 3.137 12.258 1.383 222 HH22 ARG 33 2HH2 ARG 33 1.903 13.420 1.030 223 H VAL 34 H VAL 34 3.089 5.026 4.555 224 HA VAL 34 HA VAL 34 5.278 6.128 5.963 225 HB VAL 34 HB VAL 34 4.882 4.519 7.640 226 HG11 VAL 34 1HG1 VAL 34 2.130 4.323 7.063 227 HG12 VAL 34 2HG1 VAL 34 2.944 5.504 8.091 228 HG13 VAL 34 3HG1 VAL 34 2.688 5.849 6.380 229 HG21 VAL 34 3HG2 VAL 34 5.047 2.503 6.325 230 HG22 VAL 34 1HG2 VAL 34 3.542 2.472 7.244 231 HG23 VAL 34 2HG2 VAL 34 3.517 2.858 5.523 232 H HIS 35 H HIS 35 4.913 3.215 3.998 233 HA HIS 35 HA HIS 35 7.470 2.134 4.563 234 HB2 HIS 35 1HB HIS 35 5.539 1.701 2.284 235 HB3 HIS 35 2HB HIS 35 7.057 0.820 2.428 236 HD1 HIS 35 HD1 HIS 35 7.287 -0.595 4.754 237 HD2 HIS 35 HD2 HIS 35 3.463 0.559 3.608 238 HE1 HIS 35 HE1 HIS 35 5.721 -2.070 6.056 239 H MET 36 H MET 36 6.273 4.375 2.132 240 HA MET 36 HA MET 36 8.232 4.454 0.264 241 HB2 MET 36 1HB MET 36 6.810 6.763 1.586 242 HB3 MET 36 2HB MET 36 7.851 6.961 0.182 243 HG2 MET 36 1HG MET 36 6.342 5.166 -0.897 244 HG3 MET 36 2HG MET 36 5.215 5.574 0.394 245 HE1 MET 36 3HE MET 36 5.939 9.250 0.207 246 HE2 MET 36 1HE MET 36 4.205 9.052 -0.052 247 HE3 MET 36 2HE MET 36 5.050 8.009 1.092 248 H GLY 37 H GLY 37 10.351 4.884 0.164 249 HA2 GLY 37 1HA GLY 37 11.609 6.073 2.561 250 HA3 GLY 37 2HA GLY 37 12.361 4.811 1.596 251 H GLU 38 H GLU 38 11.968 5.710 -0.960 252 HA GLU 38 HA GLU 38 13.993 7.700 -1.170 253 HB2 GLU 38 1HB GLU 38 12.283 6.195 -3.106 254 HB3 GLU 38 2HB GLU 38 13.163 7.609 -3.669 255 HG2 GLU 38 1HG GLU 38 15.222 6.631 -3.335 256 HG3 GLU 38 2HG GLU 38 14.598 5.476 -2.159 257 H LYS 39 H LYS 39 13.245 9.557 -0.144 258 HA LYS 39 HA LYS 39 10.941 10.894 -1.395 259 HB2 LYS 39 1HB LYS 39 10.729 10.545 1.022 260 HB3 LYS 39 2HB LYS 39 12.245 11.397 1.288 261 HG2 LYS 39 1HG LYS 39 11.172 13.413 0.237 262 HG3 LYS 39 2HG LYS 39 9.644 12.529 0.293 263 HD2 LYS 39 1HD LYS 39 9.946 12.270 2.744 264 HD3 LYS 39 2HD LYS 39 11.390 13.279 2.638 265 HE2 LYS 39 1HE LYS 39 8.614 14.128 1.817 266 HE3 LYS 39 2HE LYS 39 9.385 14.535 3.350 267 HZ1 LYS 39 3HZ LYS 39 9.489 16.085 1.193 268 HZ2 LYS 39 1HZ LYS 39 10.903 15.185 0.963 269 HZ3 LYS 39 2HZ LYS 39 10.688 16.074 2.386 270 H CYS 40 H CYS 40 11.714 12.064 -3.058 271 HA CYS 40 HA CYS 40 14.226 13.191 -3.326 272 HB2 CYS 40 1HB CYS 40 12.636 12.972 -5.184 273 HB3 CYS 40 2HB CYS 40 11.615 14.211 -4.464 274 HG CYS 40 HG CYS 40 14.199 15.880 -4.611 275 H SER 41 H SER 41 15.134 15.167 -2.870 276 HA SER 41 HA SER 41 14.713 16.422 -0.525 277 HB2 SER 41 1HB SER 41 15.841 17.365 -3.119 278 HB3 SER 41 2HB SER 41 15.556 18.569 -1.862 279 HG SER 41 HG SER 41 17.673 17.552 -1.829 280 H GLY 42 H GLY 42 13.263 17.471 -3.608 281 HA2 GLY 42 1HA GLY 42 11.004 18.198 -3.793 282 HA3 GLY 42 2HA GLY 42 11.020 18.588 -2.080 283 HA PRO 43 HA PRO 43 11.782 22.382 -4.825 284 HB2 PRO 43 1HB PRO 43 9.393 23.608 -4.424 285 HB3 PRO 43 2HB PRO 43 9.682 22.481 -5.754 286 HG2 PRO 43 1HG PRO 43 8.350 21.998 -3.117 287 HG3 PRO 43 2HG PRO 43 7.869 21.445 -4.732 288 HD2 PRO 43 1HD PRO 43 9.155 19.844 -2.968 289 HD3 PRO 43 2HD PRO 43 9.377 19.703 -4.723 290 H SER 44 H SER 44 9.849 22.215 -1.832 291 HA SER 44 HA SER 44 11.754 23.585 -0.270 292 HB2 SER 44 1HB SER 44 11.029 25.516 -1.634 293 HB3 SER 44 2HB SER 44 9.368 25.255 -1.102 294 HG SER 44 HG SER 44 11.556 25.784 0.628 295 H SER 45 H SER 45 11.389 23.073 1.792 296 HA SER 45 HA SER 45 8.722 22.054 2.500 297 HB2 SER 45 1HB SER 45 10.765 20.535 2.674 298 HB3 SER 45 2HB SER 45 11.279 21.547 4.023 299 HG SER 45 HG SER 45 10.091 20.141 5.082 300 H GLY 46 H GLY 46 7.501 23.308 3.737 301 HA2 GLY 46 1HA GLY 46 8.839 25.302 5.454 302 HA3 GLY 46 2HA GLY 46 7.243 25.510 4.748 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -20.914 -6.883 -22.229 2 HA2 GLY 1 1HA GLY 1 -23.198 -6.674 -21.586 3 HA3 GLY 1 2HA GLY 1 -23.642 -7.700 -22.942 4 H SER 2 H SER 2 -22.124 -9.901 -22.649 5 HA SER 2 HA SER 2 -23.466 -11.391 -20.724 6 HB2 SER 2 1HB SER 2 -21.894 -13.177 -21.210 7 HB3 SER 2 2HB SER 2 -22.294 -12.338 -22.709 8 HG SER 2 HG SER 2 -20.264 -11.046 -21.956 9 H SER 3 H SER 3 -23.097 -11.926 -18.639 10 HA SER 3 HA SER 3 -20.615 -11.675 -17.313 11 HB2 SER 3 1HB SER 3 -21.241 -9.785 -15.789 12 HB3 SER 3 2HB SER 3 -20.960 -9.291 -17.458 13 HG SER 3 HG SER 3 -23.370 -9.613 -17.627 14 H GLY 4 H GLY 4 -20.649 -12.665 -15.329 15 HA2 GLY 4 1HA GLY 4 -23.199 -13.196 -14.026 16 HA3 GLY 4 2HA GLY 4 -22.349 -14.600 -14.654 17 H SER 5 H SER 5 -21.432 -11.665 -12.844 18 HA SER 5 HA SER 5 -20.002 -13.419 -10.955 19 HB2 SER 5 1HB SER 5 -18.529 -11.417 -10.530 20 HB3 SER 5 2HB SER 5 -18.389 -12.100 -12.150 21 HG SER 5 HG SER 5 -18.571 -9.880 -12.328 22 H SER 6 H SER 6 -19.862 -12.636 -8.737 23 HA SER 6 HA SER 6 -22.401 -11.507 -7.893 24 HB2 SER 6 1HB SER 6 -21.865 -12.295 -5.710 25 HB3 SER 6 2HB SER 6 -21.328 -13.552 -6.825 26 HG SER 6 HG SER 6 -19.873 -12.586 -5.011 27 H GLY 7 H GLY 7 -22.636 -9.673 -6.592 28 HA2 GLY 7 1HA GLY 7 -20.409 -7.765 -6.837 29 HA3 GLY 7 2HA GLY 7 -22.103 -7.335 -6.653 30 H SER 8 H SER 8 -19.276 -8.610 -4.986 31 HA SER 8 HA SER 8 -20.279 -7.442 -2.504 32 HB2 SER 8 1HB SER 8 -20.021 -9.395 -1.202 33 HB3 SER 8 2HB SER 8 -20.863 -9.942 -2.652 34 HG SER 8 HG SER 8 -18.727 -10.517 -3.462 35 H GLY 9 H GLY 9 -18.592 -7.239 -0.846 36 HA2 GLY 9 1HA GLY 9 -15.956 -6.874 -2.117 37 HA3 GLY 9 2HA GLY 9 -16.553 -5.942 -0.752 38 H GLU 10 H GLU 10 -16.292 -9.433 -1.433 39 HA GLU 10 HA GLU 10 -15.662 -10.108 1.231 40 HB2 GLU 10 1HB GLU 10 -15.030 -12.316 0.297 41 HB3 GLU 10 2HB GLU 10 -16.600 -11.757 -0.264 42 HG2 GLU 10 1HG GLU 10 -15.150 -10.822 -2.265 43 HG3 GLU 10 2HG GLU 10 -14.065 -12.116 -1.759 44 H LYS 11 H LYS 11 -13.622 -9.695 -1.644 45 HA LYS 11 HA LYS 11 -11.176 -10.412 -0.536 46 HB2 LYS 11 1HB LYS 11 -10.151 -9.291 -2.362 47 HB3 LYS 11 2HB LYS 11 -11.681 -9.916 -2.964 48 HG2 LYS 11 1HG LYS 11 -11.522 -7.119 -1.935 49 HG3 LYS 11 2HG LYS 11 -10.942 -7.502 -3.557 50 HD2 LYS 11 1HD LYS 11 -13.193 -8.598 -3.953 51 HD3 LYS 11 2HD LYS 11 -13.719 -7.845 -2.445 52 HE2 LYS 11 1HE LYS 11 -14.395 -6.352 -4.118 53 HE3 LYS 11 2HE LYS 11 -12.915 -5.648 -3.468 54 HZ1 LYS 11 3HZ LYS 11 -11.714 -6.708 -5.338 55 HZ2 LYS 11 1HZ LYS 11 -12.833 -5.540 -5.833 56 HZ3 LYS 11 2HZ LYS 11 -13.201 -7.183 -5.991 57 H SER 12 H SER 12 -9.325 -8.837 -0.156 58 HA SER 12 HA SER 12 -10.019 -6.279 0.973 59 HB2 SER 12 1HB SER 12 -9.164 -6.793 3.237 60 HB3 SER 12 2HB SER 12 -10.603 -7.735 2.847 61 HG SER 12 HG SER 12 -9.254 -9.501 2.393 62 H HIS 13 H HIS 13 -8.472 -5.047 0.148 63 HA HIS 13 HA HIS 13 -6.034 -5.891 -0.865 64 HB2 HIS 13 1HB HIS 13 -6.501 -3.145 0.294 65 HB3 HIS 13 2HB HIS 13 -5.432 -3.590 -1.032 66 HD1 HIS 13 HD1 HIS 13 -6.595 -4.181 -3.325 67 HD2 HIS 13 HD2 HIS 13 -9.111 -2.609 -0.417 68 HE1 HIS 13 HE1 HIS 13 -8.685 -3.494 -4.544 69 H THR 14 H THR 14 -4.048 -6.250 -0.048 70 HA THR 14 HA THR 14 -3.630 -5.708 2.820 71 HB THR 14 HB THR 14 -2.720 -8.139 1.268 72 HG1 THR 14 HG1 THR 14 -4.305 -8.180 3.599 73 HG21 THR 14 3HG2 THR 14 -1.675 -6.907 3.663 74 HG22 THR 14 1HG2 THR 14 -1.061 -8.288 2.754 75 HG23 THR 14 2HG2 THR 14 -2.287 -8.527 4.000 76 H CYS 15 H CYS 15 -1.686 -4.871 3.420 77 HA CYS 15 HA CYS 15 -0.048 -3.742 1.339 78 HB2 CYS 15 1HB CYS 15 -0.602 -2.504 3.422 79 HB3 CYS 15 2HB CYS 15 0.346 -3.672 4.338 80 H ASP 16 H ASP 16 1.424 -4.937 0.336 81 HA ASP 16 HA ASP 16 2.534 -7.316 1.416 82 HB2 ASP 16 1HB ASP 16 3.296 -5.652 -0.988 83 HB3 ASP 16 2HB ASP 16 4.050 -7.194 -0.592 84 H GLU 17 H GLU 17 3.291 -4.041 1.837 85 HA GLU 17 HA GLU 17 6.105 -4.278 2.226 86 HB2 GLU 17 1HB GLU 17 4.322 -2.156 3.412 87 HB3 GLU 17 2HB GLU 17 6.032 -2.034 3.023 88 HG2 GLU 17 1HG GLU 17 4.074 -2.591 0.848 89 HG3 GLU 17 2HG GLU 17 4.237 -0.952 1.476 90 H CYS 18 H CYS 18 3.313 -4.207 4.412 91 HA CYS 18 HA CYS 18 5.059 -5.276 6.533 92 HB2 CYS 18 1HB CYS 18 3.625 -4.134 8.178 93 HB3 CYS 18 2HB CYS 18 4.383 -2.991 7.074 94 H GLY 19 H GLY 19 1.779 -5.198 5.196 95 HA2 GLY 19 1HA GLY 19 0.751 -7.413 4.821 96 HA3 GLY 19 2HA GLY 19 1.334 -7.852 6.420 97 H LYS 20 H LYS 20 0.118 -4.661 6.011 98 HA LYS 20 HA LYS 20 -1.936 -5.086 7.939 99 HB2 LYS 20 1HB LYS 20 -1.000 -2.778 6.290 100 HB3 LYS 20 2HB LYS 20 -2.581 -2.677 7.055 101 HG2 LYS 20 1HG LYS 20 -0.188 -3.445 8.667 102 HG3 LYS 20 2HG LYS 20 -0.497 -1.751 8.281 103 HD2 LYS 20 1HD LYS 20 -2.503 -1.722 9.472 104 HD3 LYS 20 2HD LYS 20 -2.645 -3.481 9.459 105 HE2 LYS 20 1HE LYS 20 -1.050 -3.744 11.131 106 HE3 LYS 20 2HE LYS 20 -0.357 -2.146 10.856 107 HZ1 LYS 20 3HZ LYS 20 -1.705 -2.335 12.912 108 HZ2 LYS 20 1HZ LYS 20 -3.075 -2.598 11.956 109 HZ3 LYS 20 2HZ LYS 20 -2.245 -1.128 11.857 110 H ASN 21 H ASN 21 -4.195 -4.027 7.366 111 HA ASN 21 HA ASN 21 -5.114 -5.124 4.796 112 HB2 ASN 21 1HB ASN 21 -5.628 -6.581 6.849 113 HB3 ASN 21 2HB ASN 21 -6.758 -5.312 7.315 114 HD21 ASN 21 1HD2 ASN 21 -5.888 -7.136 4.394 115 HD22 ASN 21 2HD2 ASN 21 -7.514 -7.459 3.909 116 H PHE 22 H PHE 22 -6.644 -3.952 3.721 117 HA PHE 22 HA PHE 22 -7.889 -1.672 5.048 118 HB2 PHE 22 1HB PHE 22 -6.350 -1.337 2.468 119 HB3 PHE 22 2HB PHE 22 -7.167 -0.077 3.387 120 HD1 PHE 22 HD2 PHE 22 -4.245 -2.278 3.237 121 HD2 PHE 22 HD1 PHE 22 -6.177 0.863 5.363 122 HE1 PHE 22 HE2 PHE 22 -2.165 -1.842 4.477 123 HE2 PHE 22 HE1 PHE 22 -4.100 1.304 6.605 124 HZ PHE 22 HZ PHE 22 -2.090 -0.050 6.164 125 H CYS 23 H CYS 23 -9.980 -1.970 4.674 126 HA CYS 23 HA CYS 23 -11.182 -3.607 2.852 127 HB2 CYS 23 1HB CYS 23 -12.138 -1.057 4.132 128 HB3 CYS 23 2HB CYS 23 -13.175 -1.977 3.049 129 HG CYS 23 HG CYS 23 -11.744 -3.635 5.631 130 H TYR 24 H TYR 24 -10.417 -0.169 2.408 131 HA TYR 24 HA TYR 24 -11.012 -0.474 -0.458 132 HB2 TYR 24 1HB TYR 24 -10.808 2.179 -0.213 133 HB3 TYR 24 2HB TYR 24 -12.310 1.319 0.105 134 HD1 TYR 24 HD2 TYR 24 -12.876 0.733 2.506 135 HD2 TYR 24 HD1 TYR 24 -9.754 3.434 1.474 136 HE1 TYR 24 HE2 TYR 24 -12.920 1.648 4.789 137 HE2 TYR 24 HE1 TYR 24 -9.789 4.355 3.754 138 HH TYR 24 HH TYR 24 -11.924 3.011 6.246 139 H ILE 25 H ILE 25 -9.433 -0.269 -1.923 140 HA ILE 25 HA ILE 25 -6.757 -0.457 -1.304 141 HB ILE 25 HB ILE 25 -7.858 -0.850 -3.559 142 HG12 ILE 25 1HG1 ILE 25 -5.761 -0.051 -4.806 143 HG13 ILE 25 2HG1 ILE 25 -5.228 0.591 -3.256 144 HG21 ILE 25 1HG2 ILE 25 -7.851 1.029 -5.130 145 HG22 ILE 25 2HG2 ILE 25 -8.951 1.312 -3.782 146 HG23 ILE 25 3HG2 ILE 25 -7.382 2.116 -3.822 147 HD11 ILE 25 3HD1 ILE 25 -4.301 -1.398 -2.931 148 HD12 ILE 25 1HD1 ILE 25 -5.937 -1.991 -2.649 149 HD13 ILE 25 2HD1 ILE 25 -5.212 -2.132 -4.251 150 H SER 26 H SER 26 -8.689 2.440 -1.830 151 HA SER 26 HA SER 26 -6.732 4.366 -2.055 152 HB2 SER 26 1HB SER 26 -8.388 5.910 -1.646 153 HB3 SER 26 2HB SER 26 -9.389 4.495 -1.972 154 HG SER 26 HG SER 26 -10.164 5.226 -0.087 155 H ALA 27 H ALA 27 -8.030 2.894 0.891 156 HA ALA 27 HA ALA 27 -6.658 4.489 2.747 157 HB1 ALA 27 3HB ALA 27 -8.343 2.204 2.813 158 HB2 ALA 27 1HB ALA 27 -6.924 1.873 3.807 159 HB3 ALA 27 2HB ALA 27 -7.915 3.296 4.130 160 H LEU 28 H LEU 28 -5.803 1.315 1.377 161 HA LEU 28 HA LEU 28 -3.431 0.867 2.709 162 HB2 LEU 28 1HB LEU 28 -4.121 -0.905 1.416 163 HB3 LEU 28 2HB LEU 28 -4.461 0.112 0.017 164 HG LEU 28 HG LEU 28 -1.935 0.371 -0.206 165 HD11 LEU 28 1HD1 LEU 28 -2.042 -1.179 2.181 166 HD12 LEU 28 2HD1 LEU 28 -0.634 -0.523 1.347 167 HD13 LEU 28 3HD1 LEU 28 -1.243 -2.123 0.923 168 HD21 LEU 28 3HD2 LEU 28 -2.658 -0.932 -1.894 169 HD22 LEU 28 1HD2 LEU 28 -3.629 -1.952 -0.833 170 HD23 LEU 28 2HD2 LEU 28 -1.891 -2.221 -0.965 171 H ARG 29 H ARG 29 -3.920 2.671 -0.313 172 HA ARG 29 HA ARG 29 -1.264 3.285 -0.861 173 HB2 ARG 29 1HB ARG 29 -3.634 5.089 -1.372 174 HB3 ARG 29 2HB ARG 29 -2.102 5.088 -2.235 175 HG2 ARG 29 1HG ARG 29 -4.008 2.760 -2.203 176 HG3 ARG 29 2HG ARG 29 -3.989 4.008 -3.450 177 HD2 ARG 29 1HD ARG 29 -1.753 2.114 -2.743 178 HD3 ARG 29 2HD ARG 29 -2.731 2.096 -4.210 179 HE ARG 29 HE ARG 29 -1.575 4.586 -4.131 180 HH11 ARG 29 1HH1 ARG 29 -0.448 1.293 -4.173 181 HH12 ARG 29 2HH1 ARG 29 1.027 1.671 -5.001 182 HH21 ARG 29 1HH2 ARG 29 0.363 5.096 -5.221 183 HH22 ARG 29 2HH2 ARG 29 1.487 3.835 -5.595 184 H ILE 30 H ILE 30 -3.605 4.995 1.173 185 HA ILE 30 HA ILE 30 -1.962 7.202 1.789 186 HB ILE 30 HB ILE 30 -4.220 5.998 3.393 187 HG12 ILE 30 1HG1 ILE 30 -4.324 8.471 1.680 188 HG13 ILE 30 2HG1 ILE 30 -4.624 6.875 1.000 189 HG21 ILE 30 1HG2 ILE 30 -2.636 8.518 3.717 190 HG22 ILE 30 2HG2 ILE 30 -4.305 8.421 4.276 191 HG23 ILE 30 3HG2 ILE 30 -3.091 7.323 4.932 192 HD11 ILE 30 3HD1 ILE 30 -6.731 7.046 1.630 193 HD12 ILE 30 1HD1 ILE 30 -6.207 7.078 3.314 194 HD13 ILE 30 2HD1 ILE 30 -6.399 8.587 2.421 195 H HIS 31 H HIS 31 -2.373 4.044 3.302 196 HA HIS 31 HA HIS 31 -0.772 4.620 5.587 197 HB2 HIS 31 1HB HIS 31 -2.150 2.824 6.001 198 HB3 HIS 31 2HB HIS 31 -1.969 2.172 4.375 199 HD1 HIS 31 HD1 HIS 31 -0.040 2.430 7.625 200 HD2 HIS 31 HD2 HIS 31 -0.147 0.152 4.152 201 HE1 HIS 31 HE1 HIS 31 1.574 0.540 8.011 202 H GLN 32 H GLN 32 -0.149 3.072 2.466 203 HA GLN 32 HA GLN 32 2.390 2.101 2.848 204 HB2 GLN 32 1HB GLN 32 1.081 3.347 0.445 205 HB3 GLN 32 2HB GLN 32 2.732 2.744 0.371 206 HG2 GLN 32 1HG GLN 32 1.764 0.549 1.268 207 HG3 GLN 32 2HG GLN 32 0.196 1.218 0.818 208 HE21 GLN 32 1HE2 GLN 32 0.176 2.144 -1.473 209 HE22 GLN 32 2HE2 GLN 32 0.906 1.158 -2.690 210 H ARG 33 H ARG 33 1.364 5.379 2.810 211 HA ARG 33 HA ARG 33 3.644 6.732 1.998 212 HB2 ARG 33 1HB ARG 33 1.635 7.466 4.132 213 HB3 ARG 33 2HB ARG 33 2.848 8.572 3.500 214 HG2 ARG 33 1HG ARG 33 1.872 8.413 1.284 215 HG3 ARG 33 2HG ARG 33 0.685 7.249 1.876 216 HD2 ARG 33 1HD ARG 33 -0.518 8.837 2.997 217 HD3 ARG 33 2HD ARG 33 0.888 9.866 3.266 218 HE ARG 33 HE ARG 33 0.506 9.979 0.579 219 HH11 ARG 33 1HH1 ARG 33 -1.528 10.551 3.346 220 HH12 ARG 33 2HH1 ARG 33 -2.503 11.739 2.548 221 HH21 ARG 33 1HH2 ARG 33 -0.771 11.542 -0.484 222 HH22 ARG 33 2HH2 ARG 33 -2.073 12.301 0.369 223 H VAL 34 H VAL 34 3.110 4.854 4.827 224 HA VAL 34 HA VAL 34 5.188 6.048 6.411 225 HB VAL 34 HB VAL 34 4.812 4.284 7.991 226 HG11 VAL 34 1HG1 VAL 34 3.066 6.108 7.643 227 HG12 VAL 34 2HG1 VAL 34 2.093 4.866 6.853 228 HG13 VAL 34 3HG1 VAL 34 2.563 4.677 8.543 229 HG21 VAL 34 3HG2 VAL 34 4.156 2.214 7.468 230 HG22 VAL 34 1HG2 VAL 34 2.773 2.801 6.543 231 HG23 VAL 34 2HG2 VAL 34 4.360 2.692 5.783 232 H HIS 35 H HIS 35 5.013 3.633 3.959 233 HA HIS 35 HA HIS 35 7.569 2.443 4.663 234 HB2 HIS 35 1HB HIS 35 5.628 1.934 2.405 235 HB3 HIS 35 2HB HIS 35 7.170 1.098 2.561 236 HD1 HIS 35 HD1 HIS 35 7.433 -0.444 4.722 237 HD2 HIS 35 HD2 HIS 35 3.586 0.903 3.915 238 HE1 HIS 35 HE1 HIS 35 5.907 -1.912 6.081 239 H MET 36 H MET 36 7.100 5.320 3.686 240 HA MET 36 HA MET 36 8.907 5.270 1.368 241 HB2 MET 36 1HB MET 36 7.145 7.500 2.399 242 HB3 MET 36 2HB MET 36 8.176 7.594 0.978 243 HG2 MET 36 1HG MET 36 6.823 5.549 0.160 244 HG3 MET 36 2HG MET 36 5.656 6.047 1.383 245 HE1 MET 36 3HE MET 36 4.688 9.629 0.224 246 HE2 MET 36 1HE MET 36 4.779 8.489 1.566 247 HE3 MET 36 2HE MET 36 6.207 9.410 1.093 248 H GLY 37 H GLY 37 10.445 7.189 1.279 249 HA2 GLY 37 1HA GLY 37 11.333 8.176 3.863 250 HA3 GLY 37 2HA GLY 37 12.436 7.063 3.068 251 H GLU 38 H GLU 38 11.955 7.905 0.395 252 HA GLU 38 HA GLU 38 12.958 10.673 0.455 253 HB2 GLU 38 1HB GLU 38 14.660 8.726 0.013 254 HB3 GLU 38 2HB GLU 38 13.947 8.727 -1.593 255 HG2 GLU 38 1HG GLU 38 15.277 11.061 -0.239 256 HG3 GLU 38 2HG GLU 38 15.954 10.079 -1.536 257 H LYS 39 H LYS 39 11.606 8.127 -1.628 258 HA LYS 39 HA LYS 39 10.770 9.894 -3.682 259 HB2 LYS 39 1HB LYS 39 10.260 7.042 -2.979 260 HB3 LYS 39 2HB LYS 39 9.165 7.817 -4.116 261 HG2 LYS 39 1HG LYS 39 10.778 6.808 -5.458 262 HG3 LYS 39 2HG LYS 39 11.262 8.504 -5.399 263 HD2 LYS 39 1HD LYS 39 13.066 8.075 -4.012 264 HD3 LYS 39 2HD LYS 39 12.376 6.565 -3.412 265 HE2 LYS 39 1HE LYS 39 14.165 5.959 -4.837 266 HE3 LYS 39 2HE LYS 39 12.684 5.641 -5.739 267 HZ1 LYS 39 3HZ LYS 39 14.737 7.668 -6.194 268 HZ2 LYS 39 1HZ LYS 39 13.139 8.089 -6.556 269 HZ3 LYS 39 2HZ LYS 39 13.853 6.755 -7.311 270 H CYS 40 H CYS 40 9.026 11.150 -3.840 271 HA CYS 40 HA CYS 40 6.519 10.563 -2.664 272 HB2 CYS 40 1HB CYS 40 7.917 11.309 -0.662 273 HB3 CYS 40 2HB CYS 40 7.916 12.911 -1.389 274 HG CYS 40 HG CYS 40 5.942 13.393 0.260 275 H SER 41 H SER 41 4.904 11.819 -3.513 276 HA SER 41 HA SER 41 5.690 13.578 -5.685 277 HB2 SER 41 1HB SER 41 3.942 11.903 -6.087 278 HB3 SER 41 2HB SER 41 2.951 12.620 -4.817 279 HG SER 41 HG SER 41 2.543 14.330 -6.072 280 H GLY 42 H GLY 42 6.061 15.650 -5.263 281 HA2 GLY 42 1HA GLY 42 5.947 17.722 -4.264 282 HA3 GLY 42 2HA GLY 42 4.212 17.483 -4.412 283 HA PRO 43 HA PRO 43 5.375 15.922 0.015 284 HB2 PRO 43 1HB PRO 43 7.925 16.363 0.836 285 HB3 PRO 43 2HB PRO 43 7.424 14.884 0.008 286 HG2 PRO 43 1HG PRO 43 8.793 17.304 -1.101 287 HG3 PRO 43 2HG PRO 43 9.122 15.590 -1.415 288 HD2 PRO 43 1HD PRO 43 7.708 17.140 -3.127 289 HD3 PRO 43 2HD PRO 43 7.390 15.405 -2.925 290 H SER 44 H SER 44 5.189 17.100 1.926 291 HA SER 44 HA SER 44 6.043 19.894 1.921 292 HB2 SER 44 1HB SER 44 3.809 20.674 2.609 293 HB3 SER 44 2HB SER 44 3.764 19.936 1.008 294 HG SER 44 HG SER 44 3.087 17.974 2.134 295 H SER 45 H SER 45 6.399 20.754 3.947 296 HA SER 45 HA SER 45 6.462 18.796 6.120 297 HB2 SER 45 1HB SER 45 8.077 20.231 7.183 298 HB3 SER 45 2HB SER 45 8.537 20.070 5.488 299 HG SER 45 HG SER 45 8.634 22.240 6.165 300 H GLY 46 H GLY 46 4.891 18.798 7.576 301 HA2 GLY 46 1HA GLY 46 4.053 20.695 9.256 302 HA3 GLY 46 2HA GLY 46 3.135 21.107 7.815 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.068 -20.629 -20.143 2 HA2 GLY 1 1HA GLY 1 0.316 -18.482 -18.649 3 HA3 GLY 1 2HA GLY 1 0.126 -17.715 -20.218 4 H SER 2 H SER 2 -1.652 -16.754 -18.739 5 HA SER 2 HA SER 2 -4.130 -18.123 -19.451 6 HB2 SER 2 1HB SER 2 -3.197 -17.584 -16.673 7 HB3 SER 2 2HB SER 2 -4.905 -17.324 -17.024 8 HG SER 2 HG SER 2 -3.499 -19.660 -16.800 9 H SER 3 H SER 3 -6.034 -16.709 -19.236 10 HA SER 3 HA SER 3 -5.399 -14.054 -20.167 11 HB2 SER 3 1HB SER 3 -7.961 -15.604 -19.843 12 HB3 SER 3 2HB SER 3 -7.971 -13.891 -20.258 13 HG SER 3 HG SER 3 -6.314 -14.782 -21.933 14 H GLY 4 H GLY 4 -6.580 -12.142 -19.293 15 HA2 GLY 4 1HA GLY 4 -6.161 -12.007 -16.437 16 HA3 GLY 4 2HA GLY 4 -6.605 -10.675 -17.494 17 H SER 5 H SER 5 -7.704 -12.977 -15.237 18 HA SER 5 HA SER 5 -10.482 -12.102 -15.687 19 HB2 SER 5 1HB SER 5 -10.244 -14.475 -16.235 20 HB3 SER 5 2HB SER 5 -9.527 -14.784 -14.653 21 HG SER 5 HG SER 5 -12.072 -13.599 -14.859 22 H SER 6 H SER 6 -8.165 -13.251 -13.253 23 HA SER 6 HA SER 6 -9.613 -12.771 -10.956 24 HB2 SER 6 1HB SER 6 -6.648 -12.255 -11.274 25 HB3 SER 6 2HB SER 6 -7.500 -12.654 -9.783 26 HG SER 6 HG SER 6 -6.514 -14.499 -10.639 27 H GLY 7 H GLY 7 -10.306 -11.019 -9.894 28 HA2 GLY 7 1HA GLY 7 -9.071 -8.555 -9.677 29 HA3 GLY 7 2HA GLY 7 -10.103 -8.445 -11.095 30 H SER 8 H SER 8 -10.205 -9.437 -7.679 31 HA SER 8 HA SER 8 -12.996 -8.509 -7.583 32 HB2 SER 8 1HB SER 8 -12.623 -10.886 -6.972 33 HB3 SER 8 2HB SER 8 -11.562 -10.362 -5.665 34 HG SER 8 HG SER 8 -14.334 -9.833 -5.951 35 H GLY 9 H GLY 9 -13.558 -6.847 -6.301 36 HA2 GLY 9 1HA GLY 9 -11.419 -5.416 -4.940 37 HA3 GLY 9 2HA GLY 9 -13.043 -4.819 -5.246 38 H GLU 10 H GLU 10 -14.632 -6.704 -4.107 39 HA GLU 10 HA GLU 10 -14.977 -6.029 -1.549 40 HB2 GLU 10 1HB GLU 10 -16.033 -8.193 -1.131 41 HB3 GLU 10 2HB GLU 10 -16.450 -7.591 -2.729 42 HG2 GLU 10 1HG GLU 10 -15.991 -9.748 -3.252 43 HG3 GLU 10 2HG GLU 10 -14.379 -9.061 -3.440 44 H LYS 11 H LYS 11 -12.696 -8.510 -2.636 45 HA LYS 11 HA LYS 11 -11.827 -9.506 -0.221 46 HB2 LYS 11 1HB LYS 11 -11.129 -10.084 -2.666 47 HB3 LYS 11 2HB LYS 11 -9.853 -8.905 -2.399 48 HG2 LYS 11 1HG LYS 11 -9.394 -10.302 -0.249 49 HG3 LYS 11 2HG LYS 11 -10.278 -11.561 -1.114 50 HD2 LYS 11 1HD LYS 11 -8.086 -10.099 -2.515 51 HD3 LYS 11 2HD LYS 11 -7.671 -11.351 -1.342 52 HE2 LYS 11 1HE LYS 11 -7.762 -12.476 -3.393 53 HE3 LYS 11 2HE LYS 11 -9.305 -12.841 -2.621 54 HZ1 LYS 11 3HZ LYS 11 -10.223 -12.129 -4.501 55 HZ2 LYS 11 1HZ LYS 11 -8.781 -11.444 -5.061 56 HZ3 LYS 11 2HZ LYS 11 -9.792 -10.562 -4.032 57 H SER 12 H SER 12 -10.946 -8.607 1.511 58 HA SER 12 HA SER 12 -10.226 -5.891 1.651 59 HB2 SER 12 1HB SER 12 -9.448 -6.396 3.914 60 HB3 SER 12 2HB SER 12 -10.983 -7.207 3.603 61 HG SER 12 HG SER 12 -8.415 -8.404 3.408 62 H HIS 13 H HIS 13 -8.496 -4.953 0.811 63 HA HIS 13 HA HIS 13 -6.261 -6.338 -0.191 64 HB2 HIS 13 1HB HIS 13 -6.448 -3.408 0.538 65 HB3 HIS 13 2HB HIS 13 -5.274 -4.139 -0.552 66 HD1 HIS 13 HD1 HIS 13 -6.066 -4.724 -2.928 67 HD2 HIS 13 HD2 HIS 13 -9.022 -3.055 -0.533 68 HE1 HIS 13 HE1 HIS 13 -7.948 -4.142 -4.490 69 H THR 14 H THR 14 -4.140 -6.500 0.551 70 HA THR 14 HA THR 14 -3.709 -5.843 3.389 71 HB THR 14 HB THR 14 -2.876 -8.413 2.026 72 HG1 THR 14 HG1 THR 14 -5.173 -7.956 2.877 73 HG21 THR 14 3HG2 THR 14 -1.515 -7.168 4.010 74 HG22 THR 14 1HG2 THR 14 -1.574 -8.918 3.802 75 HG23 THR 14 2HG2 THR 14 -2.657 -8.129 4.950 76 H CYS 15 H CYS 15 -1.891 -4.754 3.779 77 HA CYS 15 HA CYS 15 -0.189 -3.921 1.681 78 HB2 CYS 15 1HB CYS 15 -0.685 -2.687 3.850 79 HB3 CYS 15 2HB CYS 15 0.457 -3.780 4.626 80 H ASP 16 H ASP 16 1.235 -5.173 0.682 81 HA ASP 16 HA ASP 16 2.286 -7.564 1.820 82 HB2 ASP 16 1HB ASP 16 3.877 -7.236 -0.299 83 HB3 ASP 16 2HB ASP 16 2.213 -7.793 -0.454 84 H GLU 17 H GLU 17 3.250 -4.275 1.877 85 HA GLU 17 HA GLU 17 6.038 -4.608 2.217 86 HB2 GLU 17 1HB GLU 17 4.146 -2.399 3.015 87 HB3 GLU 17 2HB GLU 17 5.880 -2.309 3.290 88 HG2 GLU 17 1HG GLU 17 4.923 -2.932 0.549 89 HG3 GLU 17 2HG GLU 17 4.759 -1.281 1.142 90 H CYS 18 H CYS 18 3.411 -4.152 4.575 91 HA CYS 18 HA CYS 18 5.221 -5.188 6.657 92 HB2 CYS 18 1HB CYS 18 3.765 -3.981 8.278 93 HB3 CYS 18 2HB CYS 18 4.581 -2.910 7.145 94 H GLY 19 H GLY 19 1.883 -5.209 5.465 95 HA2 GLY 19 1HA GLY 19 0.913 -7.496 5.267 96 HA3 GLY 19 2HA GLY 19 1.494 -7.762 6.904 97 H LYS 20 H LYS 20 0.365 -4.614 6.448 98 HA LYS 20 HA LYS 20 -1.720 -4.884 8.311 99 HB2 LYS 20 1HB LYS 20 -0.818 -2.743 6.439 100 HB3 LYS 20 2HB LYS 20 -2.406 -2.584 7.179 101 HG2 LYS 20 1HG LYS 20 -0.102 -3.205 8.944 102 HG3 LYS 20 2HG LYS 20 -0.243 -1.571 8.292 103 HD2 LYS 20 1HD LYS 20 -2.566 -1.482 9.171 104 HD3 LYS 20 2HD LYS 20 -2.300 -3.057 9.924 105 HE2 LYS 20 1HE LYS 20 -0.451 -0.760 10.459 106 HE3 LYS 20 2HE LYS 20 -1.970 -0.920 11.339 107 HZ1 LYS 20 3HZ LYS 20 -1.223 -3.206 11.947 108 HZ2 LYS 20 1HZ LYS 20 -0.290 -1.963 12.616 109 HZ3 LYS 20 2HZ LYS 20 0.292 -2.836 11.290 110 H ASN 21 H ASN 21 -3.994 -3.881 7.637 111 HA ASN 21 HA ASN 21 -4.927 -5.245 5.205 112 HB2 ASN 21 1HB ASN 21 -5.385 -6.388 7.550 113 HB3 ASN 21 2HB ASN 21 -6.691 -5.209 7.615 114 HD21 ASN 21 1HD2 ASN 21 -5.258 -7.415 5.227 115 HD22 ASN 21 2HD2 ASN 21 -6.763 -8.043 4.657 116 H PHE 22 H PHE 22 -6.633 -4.275 4.123 117 HA PHE 22 HA PHE 22 -7.895 -1.913 5.226 118 HB2 PHE 22 1HB PHE 22 -6.276 -1.697 2.681 119 HB3 PHE 22 2HB PHE 22 -7.197 -0.411 3.455 120 HD1 PHE 22 HD2 PHE 22 -4.157 -2.438 3.592 121 HD2 PHE 22 HD1 PHE 22 -6.363 0.712 5.416 122 HE1 PHE 22 HE2 PHE 22 -2.164 -1.795 4.883 123 HE2 PHE 22 HE1 PHE 22 -4.373 1.361 6.710 124 HZ PHE 22 HZ PHE 22 -2.270 0.106 6.446 125 H CYS 23 H CYS 23 -9.965 -2.294 4.818 126 HA CYS 23 HA CYS 23 -11.009 -4.082 2.991 127 HB2 CYS 23 1HB CYS 23 -12.177 -2.896 4.940 128 HB3 CYS 23 2HB CYS 23 -12.465 -1.576 3.814 129 HG CYS 23 HG CYS 23 -13.988 -4.546 4.058 130 H TYR 24 H TYR 24 -10.443 -0.608 2.603 131 HA TYR 24 HA TYR 24 -11.104 -0.871 -0.252 132 HB2 TYR 24 1HB TYR 24 -10.961 1.779 0.039 133 HB3 TYR 24 2HB TYR 24 -12.429 0.876 0.395 134 HD1 TYR 24 HD2 TYR 24 -12.788 0.142 2.838 135 HD2 TYR 24 HD1 TYR 24 -9.982 3.122 1.677 136 HE1 TYR 24 HE2 TYR 24 -12.772 1.014 5.138 137 HE2 TYR 24 HE1 TYR 24 -9.957 4.002 3.973 138 HH TYR 24 HH TYR 24 -11.855 2.465 6.550 139 H ILE 25 H ILE 25 -9.527 -0.762 -1.706 140 HA ILE 25 HA ILE 25 -6.847 -0.826 -1.164 141 HB ILE 25 HB ILE 25 -7.970 -1.279 -3.387 142 HG12 ILE 25 1HG1 ILE 25 -5.961 -0.515 -4.702 143 HG13 ILE 25 2HG1 ILE 25 -5.434 0.363 -3.270 144 HG21 ILE 25 1HG2 ILE 25 -9.130 0.916 -3.500 145 HG22 ILE 25 2HG2 ILE 25 -7.569 1.679 -3.799 146 HG23 ILE 25 3HG2 ILE 25 -8.220 0.519 -4.957 147 HD11 ILE 25 3HD1 ILE 25 -5.174 -2.437 -3.926 148 HD12 ILE 25 1HD1 ILE 25 -4.343 -1.478 -2.701 149 HD13 ILE 25 2HD1 ILE 25 -5.915 -2.195 -2.344 150 H SER 26 H SER 26 -8.754 2.051 -2.022 151 HA SER 26 HA SER 26 -6.886 3.995 -2.190 152 HB2 SER 26 1HB SER 26 -9.612 4.003 -0.932 153 HB3 SER 26 2HB SER 26 -8.619 5.460 -0.896 154 HG SER 26 HG SER 26 -8.429 4.812 -3.321 155 H ALA 27 H ALA 27 -8.128 2.607 0.824 156 HA ALA 27 HA ALA 27 -6.744 4.270 2.606 157 HB1 ALA 27 3HB ALA 27 -6.952 1.707 3.775 158 HB2 ALA 27 1HB ALA 27 -7.990 3.111 4.027 159 HB3 ALA 27 2HB ALA 27 -8.379 1.941 2.765 160 H LEU 28 H LEU 28 -5.885 1.013 1.433 161 HA LEU 28 HA LEU 28 -3.478 0.678 2.708 162 HB2 LEU 28 1HB LEU 28 -4.183 -1.168 1.527 163 HB3 LEU 28 2HB LEU 28 -4.544 -0.232 0.078 164 HG LEU 28 HG LEU 28 -2.074 0.002 -0.279 165 HD11 LEU 28 1HD1 LEU 28 -0.923 -2.064 0.983 166 HD12 LEU 28 2HD1 LEU 28 -2.078 -1.568 2.220 167 HD13 LEU 28 3HD1 LEU 28 -0.897 -0.413 1.602 168 HD21 LEU 28 3HD2 LEU 28 -3.748 -2.337 -0.612 169 HD22 LEU 28 1HD2 LEU 28 -2.038 -2.758 -0.527 170 HD23 LEU 28 2HD2 LEU 28 -2.601 -1.600 -1.732 171 H ARG 29 H ARG 29 -4.050 2.309 -0.396 172 HA ARG 29 HA ARG 29 -1.414 2.919 -1.035 173 HB2 ARG 29 1HB ARG 29 -3.812 4.673 -1.589 174 HB3 ARG 29 2HB ARG 29 -2.301 4.632 -2.488 175 HG2 ARG 29 1HG ARG 29 -4.206 2.312 -2.282 176 HG3 ARG 29 2HG ARG 29 -4.190 3.477 -3.608 177 HD2 ARG 29 1HD ARG 29 -1.961 1.615 -2.801 178 HD3 ARG 29 2HD ARG 29 -2.953 1.510 -4.254 179 HE ARG 29 HE ARG 29 -0.671 3.186 -3.843 180 HH11 ARG 29 1HH1 ARG 29 -3.688 2.884 -5.554 181 HH12 ARG 29 2HH1 ARG 29 -3.198 3.909 -6.863 182 HH21 ARG 29 1HH2 ARG 29 -0.015 4.536 -5.561 183 HH22 ARG 29 2HH2 ARG 29 -1.108 4.847 -6.866 184 H ILE 30 H ILE 30 -3.733 4.723 0.945 185 HA ILE 30 HA ILE 30 -2.105 6.975 1.407 186 HB ILE 30 HB ILE 30 -4.326 5.820 3.094 187 HG12 ILE 30 1HG1 ILE 30 -4.333 8.167 1.186 188 HG13 ILE 30 2HG1 ILE 30 -4.917 6.558 0.779 189 HG21 ILE 30 1HG2 ILE 30 -4.414 7.962 4.223 190 HG22 ILE 30 2HG2 ILE 30 -2.814 7.247 4.410 191 HG23 ILE 30 3HG2 ILE 30 -3.065 8.555 3.254 192 HD11 ILE 30 3HD1 ILE 30 -6.064 8.524 2.726 193 HD12 ILE 30 1HD1 ILE 30 -6.825 7.793 1.313 194 HD13 ILE 30 2HD1 ILE 30 -6.504 6.816 2.746 195 H HIS 31 H HIS 31 -2.438 3.902 3.104 196 HA HIS 31 HA HIS 31 -0.796 4.614 5.316 197 HB2 HIS 31 1HB HIS 31 -2.127 2.809 5.838 198 HB3 HIS 31 2HB HIS 31 -1.957 2.084 4.242 199 HD1 HIS 31 HD1 HIS 31 -0.080 2.466 7.497 200 HD2 HIS 31 HD2 HIS 31 0.009 0.178 4.030 201 HE1 HIS 31 HE1 HIS 31 1.610 0.655 7.930 202 H GLN 32 H GLN 32 -0.196 2.782 2.332 203 HA GLN 32 HA GLN 32 2.353 1.921 2.670 204 HB2 GLN 32 1HB GLN 32 1.010 3.093 0.248 205 HB3 GLN 32 2HB GLN 32 2.661 2.491 0.173 206 HG2 GLN 32 1HG GLN 32 1.611 0.345 1.229 207 HG3 GLN 32 2HG GLN 32 0.115 1.000 0.565 208 HE21 GLN 32 1HE2 GLN 32 0.415 1.798 -1.780 209 HE22 GLN 32 2HE2 GLN 32 1.228 0.698 -2.834 210 H ARG 33 H ARG 33 1.307 5.221 2.251 211 HA ARG 33 HA ARG 33 3.556 6.546 1.464 212 HB2 ARG 33 1HB ARG 33 1.649 7.374 3.661 213 HB3 ARG 33 2HB ARG 33 2.780 8.449 2.848 214 HG2 ARG 33 1HG ARG 33 1.628 7.947 0.705 215 HG3 ARG 33 2HG ARG 33 0.435 7.020 1.618 216 HD2 ARG 33 1HD ARG 33 0.982 9.971 1.692 217 HD3 ARG 33 2HD ARG 33 -0.531 9.140 1.336 218 HE ARG 33 HE ARG 33 -0.062 8.401 3.873 219 HH11 ARG 33 1HH1 ARG 33 -0.031 11.507 2.301 220 HH12 ARG 33 2HH1 ARG 33 -0.515 12.375 3.720 221 HH21 ARG 33 1HH2 ARG 33 -0.700 9.533 5.748 222 HH22 ARG 33 2HH2 ARG 33 -0.895 11.252 5.680 223 H VAL 34 H VAL 34 2.866 5.256 4.678 224 HA VAL 34 HA VAL 34 5.024 6.370 6.060 225 HB VAL 34 HB VAL 34 4.686 4.718 7.738 226 HG11 VAL 34 1HG1 VAL 34 1.919 4.841 6.653 227 HG12 VAL 34 2HG1 VAL 34 2.511 5.166 8.283 228 HG13 VAL 34 3HG1 VAL 34 2.751 6.356 7.003 229 HG21 VAL 34 3HG2 VAL 34 3.249 2.708 7.293 230 HG22 VAL 34 1HG2 VAL 34 3.352 3.099 5.576 231 HG23 VAL 34 2HG2 VAL 34 4.813 2.698 6.479 232 H HIS 35 H HIS 35 4.825 3.543 3.987 233 HA HIS 35 HA HIS 35 7.406 2.520 4.656 234 HB2 HIS 35 1HB HIS 35 5.492 1.983 2.389 235 HB3 HIS 35 2HB HIS 35 7.065 1.198 2.492 236 HD1 HIS 35 HD1 HIS 35 7.437 -0.266 4.743 237 HD2 HIS 35 HD2 HIS 35 3.520 0.752 3.803 238 HE1 HIS 35 HE1 HIS 35 5.996 -1.835 6.079 239 H MET 36 H MET 36 6.168 4.779 2.288 240 HA MET 36 HA MET 36 8.307 4.859 0.507 241 HB2 MET 36 1HB MET 36 6.245 6.861 1.355 242 HB3 MET 36 2HB MET 36 7.547 7.354 0.281 243 HG2 MET 36 1HG MET 36 5.545 6.743 -0.957 244 HG3 MET 36 2HG MET 36 6.890 5.668 -1.331 245 HE1 MET 36 3HE MET 36 3.800 5.632 -1.752 246 HE2 MET 36 1HE MET 36 4.242 4.002 -2.262 247 HE3 MET 36 2HE MET 36 2.987 4.235 -1.044 248 H GLY 37 H GLY 37 10.323 5.649 0.590 249 HA2 GLY 37 1HA GLY 37 12.077 7.033 1.269 250 HA3 GLY 37 2HA GLY 37 11.039 7.695 2.523 251 H GLU 38 H GLU 38 13.205 5.088 1.662 252 HA GLU 38 HA GLU 38 13.852 4.697 4.452 253 HB2 GLU 38 1HB GLU 38 12.420 2.633 2.824 254 HB3 GLU 38 2HB GLU 38 13.592 2.120 4.029 255 HG2 GLU 38 1HG GLU 38 11.168 3.825 4.549 256 HG3 GLU 38 2HG GLU 38 11.324 2.108 4.914 257 H LYS 39 H LYS 39 15.832 3.618 4.777 258 HA LYS 39 HA LYS 39 18.062 3.448 4.229 259 HB2 LYS 39 1HB LYS 39 16.989 1.182 3.841 260 HB3 LYS 39 2HB LYS 39 16.978 1.573 2.126 261 HG2 LYS 39 1HG LYS 39 19.467 1.900 2.296 262 HG3 LYS 39 2HG LYS 39 19.363 1.214 3.919 263 HD2 LYS 39 1HD LYS 39 18.387 -0.832 2.985 264 HD3 LYS 39 2HD LYS 39 18.502 -0.143 1.363 265 HE2 LYS 39 1HE LYS 39 21.001 0.110 1.851 266 HE3 LYS 39 2HE LYS 39 20.719 -0.972 3.214 267 HZ1 LYS 39 3HZ LYS 39 20.779 -1.550 0.375 268 HZ2 LYS 39 1HZ LYS 39 19.538 -2.315 1.234 269 HZ3 LYS 39 2HZ LYS 39 21.150 -2.544 1.692 270 H CYS 40 H CYS 40 17.006 5.706 3.003 271 HA CYS 40 HA CYS 40 17.134 7.069 1.140 272 HB2 CYS 40 1HB CYS 40 19.426 7.617 0.637 273 HB3 CYS 40 2HB CYS 40 19.310 7.249 2.354 274 HG CYS 40 HG CYS 40 21.092 5.402 2.387 275 H SER 41 H SER 41 16.049 4.686 0.306 276 HA SER 41 HA SER 41 17.500 3.971 -2.141 277 HB2 SER 41 1HB SER 41 16.701 2.157 -0.588 278 HB3 SER 41 2HB SER 41 15.049 2.630 -0.982 279 HG SER 41 HG SER 41 16.764 2.141 -3.115 280 H GLY 42 H GLY 42 16.991 5.900 -3.282 281 HA2 GLY 42 1HA GLY 42 14.145 6.240 -3.964 282 HA3 GLY 42 2HA GLY 42 15.385 7.474 -4.142 283 HA PRO 43 HA PRO 43 15.707 4.230 -7.768 284 HB2 PRO 43 1HB PRO 43 13.316 3.114 -8.409 285 HB3 PRO 43 2HB PRO 43 14.453 2.368 -7.279 286 HG2 PRO 43 1HG PRO 43 12.011 4.002 -6.707 287 HG3 PRO 43 2HG PRO 43 12.569 2.513 -5.923 288 HD2 PRO 43 1HD PRO 43 12.944 4.963 -4.832 289 HD3 PRO 43 2HD PRO 43 14.094 3.630 -4.604 290 H SER 44 H SER 44 15.710 5.169 -9.721 291 HA SER 44 HA SER 44 13.745 7.280 -10.237 292 HB2 SER 44 1HB SER 44 16.364 6.699 -11.643 293 HB3 SER 44 2HB SER 44 15.328 8.100 -11.917 294 HG SER 44 HG SER 44 16.949 7.481 -9.711 295 H SER 45 H SER 45 12.595 7.406 -12.173 296 HA SER 45 HA SER 45 12.031 4.834 -13.384 297 HB2 SER 45 1HB SER 45 10.206 6.402 -12.721 298 HB3 SER 45 2HB SER 45 10.768 7.526 -13.958 299 HG SER 45 HG SER 45 9.518 6.435 -15.239 300 H GLY 46 H GLY 46 13.866 4.398 -14.621 301 HA2 GLY 46 1HA GLY 46 13.830 5.261 -17.281 302 HA3 GLY 46 2HA GLY 46 15.047 6.207 -16.436 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.880 -12.456 -21.079 2 HA2 GLY 1 1HA GLY 1 -14.544 -12.905 -19.512 3 HA3 GLY 1 2HA GLY 1 -14.658 -14.357 -20.495 4 H SER 2 H SER 2 -15.085 -15.906 -19.031 5 HA SER 2 HA SER 2 -14.211 -16.033 -16.403 6 HB2 SER 2 1HB SER 2 -14.986 -18.232 -18.324 7 HB3 SER 2 2HB SER 2 -14.659 -18.522 -16.616 8 HG SER 2 HG SER 2 -16.905 -18.161 -17.122 9 H SER 3 H SER 3 -12.226 -16.144 -15.616 10 HA SER 3 HA SER 3 -10.254 -17.843 -16.983 11 HB2 SER 3 1HB SER 3 -9.766 -15.072 -15.866 12 HB3 SER 3 2HB SER 3 -8.500 -16.162 -16.430 13 HG SER 3 HG SER 3 -9.925 -16.161 -18.448 14 H GLY 4 H GLY 4 -11.816 -18.669 -14.840 15 HA2 GLY 4 1HA GLY 4 -11.275 -20.011 -12.995 16 HA3 GLY 4 2HA GLY 4 -9.730 -19.184 -12.874 17 H SER 5 H SER 5 -9.591 -17.227 -11.742 18 HA SER 5 HA SER 5 -11.558 -16.963 -9.645 19 HB2 SER 5 1HB SER 5 -9.989 -15.197 -8.789 20 HB3 SER 5 2HB SER 5 -9.243 -16.780 -9.006 21 HG SER 5 HG SER 5 -7.843 -15.463 -9.986 22 H SER 6 H SER 6 -13.372 -15.882 -10.037 23 HA SER 6 HA SER 6 -13.326 -13.135 -10.770 24 HB2 SER 6 1HB SER 6 -14.592 -13.291 -12.868 25 HB3 SER 6 2HB SER 6 -13.031 -14.099 -13.017 26 HG SER 6 HG SER 6 -14.004 -15.983 -13.182 27 H GLY 7 H GLY 7 -15.720 -12.399 -11.240 28 HA2 GLY 7 1HA GLY 7 -18.048 -12.792 -10.785 29 HA3 GLY 7 2HA GLY 7 -17.570 -14.006 -9.607 30 H SER 8 H SER 8 -16.548 -13.258 -7.621 31 HA SER 8 HA SER 8 -17.290 -10.491 -6.935 32 HB2 SER 8 1HB SER 8 -17.914 -13.047 -5.505 33 HB3 SER 8 2HB SER 8 -17.668 -11.576 -4.563 34 HG SER 8 HG SER 8 -19.764 -11.457 -5.012 35 H GLY 9 H GLY 9 -15.821 -9.333 -5.801 36 HA2 GLY 9 1HA GLY 9 -13.152 -10.354 -5.619 37 HA3 GLY 9 2HA GLY 9 -13.697 -8.765 -5.102 38 H GLU 10 H GLU 10 -15.381 -9.104 -3.127 39 HA GLU 10 HA GLU 10 -15.189 -9.257 -0.825 40 HB2 GLU 10 1HB GLU 10 -15.701 -11.504 -0.071 41 HB3 GLU 10 2HB GLU 10 -16.594 -11.156 -1.545 42 HG2 GLU 10 1HG GLU 10 -14.824 -12.379 -2.811 43 HG3 GLU 10 2HG GLU 10 -14.133 -12.859 -1.262 44 H LYS 11 H LYS 11 -12.650 -8.779 -1.893 45 HA LYS 11 HA LYS 11 -10.965 -10.376 -0.078 46 HB2 LYS 11 1HB LYS 11 -10.441 -10.992 -2.366 47 HB3 LYS 11 2HB LYS 11 -10.254 -9.302 -2.813 48 HG2 LYS 11 1HG LYS 11 -8.077 -10.132 -2.583 49 HG3 LYS 11 2HG LYS 11 -8.378 -9.207 -1.110 50 HD2 LYS 11 1HD LYS 11 -8.871 -11.261 0.099 51 HD3 LYS 11 2HD LYS 11 -8.642 -12.203 -1.376 52 HE2 LYS 11 1HE LYS 11 -6.652 -12.362 -0.044 53 HE3 LYS 11 2HE LYS 11 -6.300 -11.385 -1.469 54 HZ1 LYS 11 3HZ LYS 11 -5.976 -10.695 1.220 55 HZ2 LYS 11 1HZ LYS 11 -7.174 -9.686 0.579 56 HZ3 LYS 11 2HZ LYS 11 -5.648 -9.753 -0.147 57 H SER 12 H SER 12 -10.054 -9.212 1.472 58 HA SER 12 HA SER 12 -10.151 -6.325 1.375 59 HB2 SER 12 1HB SER 12 -9.339 -6.429 3.686 60 HB3 SER 12 2HB SER 12 -10.697 -7.531 3.457 61 HG SER 12 HG SER 12 -9.387 -8.971 4.240 62 H HIS 13 H HIS 13 -8.574 -5.062 0.667 63 HA HIS 13 HA HIS 13 -6.181 -5.984 -0.414 64 HB2 HIS 13 1HB HIS 13 -6.564 -3.197 0.674 65 HB3 HIS 13 2HB HIS 13 -5.560 -3.703 -0.681 66 HD1 HIS 13 HD1 HIS 13 -6.601 -3.600 -2.947 67 HD2 HIS 13 HD2 HIS 13 -9.419 -3.373 0.097 68 HE1 HIS 13 HE1 HIS 13 -8.784 -3.095 -4.088 69 H THR 14 H THR 14 -4.341 -6.649 0.463 70 HA THR 14 HA THR 14 -3.765 -5.890 3.253 71 HB THR 14 HB THR 14 -2.997 -8.444 1.826 72 HG1 THR 14 HG1 THR 14 -4.492 -9.388 3.235 73 HG21 THR 14 3HG2 THR 14 -1.658 -8.997 3.558 74 HG22 THR 14 1HG2 THR 14 -2.704 -8.223 4.748 75 HG23 THR 14 2HG2 THR 14 -1.574 -7.253 3.803 76 H CYS 15 H CYS 15 -1.929 -4.828 3.629 77 HA CYS 15 HA CYS 15 -0.226 -4.055 1.481 78 HB2 CYS 15 1HB CYS 15 -0.739 -2.654 3.505 79 HB3 CYS 15 2HB CYS 15 0.290 -3.733 4.442 80 H ASP 16 H ASP 16 1.241 -5.334 0.587 81 HA ASP 16 HA ASP 16 2.268 -7.664 1.864 82 HB2 ASP 16 1HB ASP 16 1.947 -7.188 -0.666 83 HB3 ASP 16 2HB ASP 16 3.518 -6.398 -0.559 84 H GLU 17 H GLU 17 3.180 -4.376 1.875 85 HA GLU 17 HA GLU 17 5.969 -4.644 2.264 86 HB2 GLU 17 1HB GLU 17 4.184 -2.434 3.291 87 HB3 GLU 17 2HB GLU 17 5.918 -2.348 3.019 88 HG2 GLU 17 1HG GLU 17 3.825 -2.728 0.890 89 HG3 GLU 17 2HG GLU 17 4.662 -1.222 1.259 90 H CYS 18 H CYS 18 3.292 -4.218 4.571 91 HA CYS 18 HA CYS 18 5.079 -5.225 6.688 92 HB2 CYS 18 1HB CYS 18 3.724 -3.953 8.291 93 HB3 CYS 18 2HB CYS 18 4.417 -2.895 7.067 94 H GLY 19 H GLY 19 1.761 -5.225 5.448 95 HA2 GLY 19 1HA GLY 19 0.717 -7.458 5.267 96 HA3 GLY 19 2HA GLY 19 1.340 -7.777 6.880 97 H LYS 20 H LYS 20 0.025 -4.661 6.082 98 HA LYS 20 HA LYS 20 -1.946 -4.900 8.151 99 HB2 LYS 20 1HB LYS 20 -1.125 -2.739 6.243 100 HB3 LYS 20 2HB LYS 20 -2.623 -2.581 7.151 101 HG2 LYS 20 1HG LYS 20 -0.104 -3.233 8.603 102 HG3 LYS 20 2HG LYS 20 -0.396 -1.576 8.067 103 HD2 LYS 20 1HD LYS 20 -2.543 -1.585 9.265 104 HD3 LYS 20 2HD LYS 20 -2.216 -3.227 9.822 105 HE2 LYS 20 1HE LYS 20 -1.647 -1.696 11.579 106 HE3 LYS 20 2HE LYS 20 -0.158 -2.379 10.927 107 HZ1 LYS 20 3HZ LYS 20 -1.213 0.211 9.972 108 HZ2 LYS 20 1HZ LYS 20 0.360 -0.400 9.843 109 HZ3 LYS 20 2HZ LYS 20 -0.227 0.113 11.343 110 H ASN 21 H ASN 21 -4.176 -3.692 7.372 111 HA ASN 21 HA ASN 21 -5.159 -5.081 4.985 112 HB2 ASN 21 1HB ASN 21 -5.637 -6.255 7.297 113 HB3 ASN 21 2HB ASN 21 -6.895 -5.029 7.421 114 HD21 ASN 21 1HD2 ASN 21 -5.725 -7.756 5.580 115 HD22 ASN 21 2HD2 ASN 21 -7.217 -8.105 4.782 116 H PHE 22 H PHE 22 -6.712 -3.999 3.845 117 HA PHE 22 HA PHE 22 -8.013 -1.671 4.985 118 HB2 PHE 22 1HB PHE 22 -6.364 -1.332 2.480 119 HB3 PHE 22 2HB PHE 22 -7.180 -0.081 3.412 120 HD1 PHE 22 HD2 PHE 22 -4.326 -2.401 3.356 121 HD2 PHE 22 HD1 PHE 22 -6.169 0.888 5.331 122 HE1 PHE 22 HE2 PHE 22 -2.261 -2.019 4.638 123 HE2 PHE 22 HE1 PHE 22 -4.107 1.276 6.616 124 HZ PHE 22 HZ PHE 22 -2.150 -0.179 6.271 125 H CYS 23 H CYS 23 -10.063 -2.069 4.487 126 HA CYS 23 HA CYS 23 -10.995 -3.736 2.473 127 HB2 CYS 23 1HB CYS 23 -12.349 -1.430 3.880 128 HB3 CYS 23 2HB CYS 23 -13.192 -2.535 2.800 129 HG CYS 23 HG CYS 23 -11.875 -3.180 5.873 130 H TYR 24 H TYR 24 -10.414 -0.256 2.431 131 HA TYR 24 HA TYR 24 -11.059 -0.230 -0.441 132 HB2 TYR 24 1HB TYR 24 -10.954 2.374 0.099 133 HB3 TYR 24 2HB TYR 24 -12.413 1.428 0.374 134 HD1 TYR 24 HD2 TYR 24 -12.590 0.349 2.776 135 HD2 TYR 24 HD1 TYR 24 -10.155 3.702 1.815 136 HE1 TYR 24 HE2 TYR 24 -12.579 1.012 5.145 137 HE2 TYR 24 HE1 TYR 24 -10.136 4.375 4.180 138 HH TYR 24 HH TYR 24 -10.441 3.221 6.424 139 H ILE 25 H ILE 25 -9.460 0.031 -1.851 140 HA ILE 25 HA ILE 25 -6.789 -0.066 -1.269 141 HB ILE 25 HB ILE 25 -7.977 -0.241 -3.555 142 HG12 ILE 25 1HG1 ILE 25 -5.834 0.459 -4.729 143 HG13 ILE 25 2HG1 ILE 25 -5.266 1.031 -3.164 144 HG21 ILE 25 1HG2 ILE 25 -7.254 2.686 -3.600 145 HG22 ILE 25 2HG2 ILE 25 -7.897 1.743 -4.944 146 HG23 ILE 25 3HG2 ILE 25 -8.894 2.043 -3.521 147 HD11 ILE 25 3HD1 ILE 25 -6.250 -1.764 -3.392 148 HD12 ILE 25 1HD1 ILE 25 -4.660 -1.358 -4.038 149 HD13 ILE 25 2HD1 ILE 25 -5.016 -1.081 -2.333 150 H SER 26 H SER 26 -8.740 2.851 -1.810 151 HA SER 26 HA SER 26 -6.905 4.836 -1.801 152 HB2 SER 26 1HB SER 26 -9.164 5.493 -1.950 153 HB3 SER 26 2HB SER 26 -9.587 4.690 -0.438 154 HG SER 26 HG SER 26 -8.631 6.296 0.696 155 H ALA 27 H ALA 27 -8.180 3.254 1.118 156 HA ALA 27 HA ALA 27 -6.711 4.711 2.998 157 HB1 ALA 27 3HB ALA 27 -7.943 3.481 4.371 158 HB2 ALA 27 1HB ALA 27 -8.459 2.483 3.011 159 HB3 ALA 27 2HB ALA 27 -7.021 2.044 3.932 160 H LEU 28 H LEU 28 -5.974 1.543 1.536 161 HA LEU 28 HA LEU 28 -3.540 1.082 2.781 162 HB2 LEU 28 1HB LEU 28 -4.387 -0.714 1.594 163 HB3 LEU 28 2HB LEU 28 -4.705 0.256 0.158 164 HG LEU 28 HG LEU 28 -2.203 0.374 -0.168 165 HD11 LEU 28 1HD1 LEU 28 -1.082 -0.225 1.698 166 HD12 LEU 28 2HD1 LEU 28 -1.221 -1.834 0.992 167 HD13 LEU 28 3HD1 LEU 28 -2.351 -1.321 2.244 168 HD21 LEU 28 3HD2 LEU 28 -3.025 -1.058 -1.702 169 HD22 LEU 28 1HD2 LEU 28 -3.967 -1.959 -0.514 170 HD23 LEU 28 2HD2 LEU 28 -2.240 -2.273 -0.692 171 H ARG 29 H ARG 29 -4.230 2.886 -0.187 172 HA ARG 29 HA ARG 29 -1.593 3.389 -0.968 173 HB2 ARG 29 1HB ARG 29 -3.931 5.261 -1.354 174 HB3 ARG 29 2HB ARG 29 -2.483 5.148 -2.344 175 HG2 ARG 29 1HG ARG 29 -4.163 2.719 -2.072 176 HG3 ARG 29 2HG ARG 29 -4.770 4.044 -3.067 177 HD2 ARG 29 1HD ARG 29 -2.306 3.948 -4.037 178 HD3 ARG 29 2HD ARG 29 -2.412 2.282 -3.470 179 HE ARG 29 HE ARG 29 -4.673 2.505 -4.866 180 HH11 ARG 29 1HH1 ARG 29 -1.409 3.440 -5.633 181 HH12 ARG 29 2HH1 ARG 29 -1.604 3.206 -7.339 182 HH21 ARG 29 1HH2 ARG 29 -4.942 2.193 -7.110 183 HH22 ARG 29 2HH2 ARG 29 -3.614 2.497 -8.177 184 H ILE 30 H ILE 30 -3.637 4.951 1.407 185 HA ILE 30 HA ILE 30 -1.965 7.235 1.783 186 HB ILE 30 HB ILE 30 -4.084 6.052 3.581 187 HG12 ILE 30 1HG1 ILE 30 -4.278 8.527 1.872 188 HG13 ILE 30 2HG1 ILE 30 -4.714 6.937 1.257 189 HG21 ILE 30 1HG2 ILE 30 -3.142 7.376 5.129 190 HG22 ILE 30 2HG2 ILE 30 -2.231 8.295 3.932 191 HG23 ILE 30 3HG2 ILE 30 -3.923 8.684 4.241 192 HD11 ILE 30 3HD1 ILE 30 -6.077 7.119 3.652 193 HD12 ILE 30 1HD1 ILE 30 -6.198 8.737 2.961 194 HD13 ILE 30 2HD1 ILE 30 -6.748 7.339 2.036 195 H HIS 31 H HIS 31 -2.304 4.109 3.395 196 HA HIS 31 HA HIS 31 -0.483 4.669 5.501 197 HB2 HIS 31 1HB HIS 31 -1.833 2.886 6.043 198 HB3 HIS 31 2HB HIS 31 -1.800 2.226 4.410 199 HD1 HIS 31 HD1 HIS 31 0.412 2.485 7.475 200 HD2 HIS 31 HD2 HIS 31 -0.023 0.189 4.041 201 HE1 HIS 31 HE1 HIS 31 2.039 0.584 7.727 202 H GLN 32 H GLN 32 -0.145 2.883 2.443 203 HA GLN 32 HA GLN 32 2.385 1.951 2.559 204 HB2 GLN 32 1HB GLN 32 0.934 3.273 0.281 205 HB3 GLN 32 2HB GLN 32 2.550 2.610 0.073 206 HG2 GLN 32 1HG GLN 32 1.612 0.432 0.970 207 HG3 GLN 32 2HG GLN 32 0.018 1.156 0.760 208 HE21 GLN 32 1HE2 GLN 32 -0.597 1.817 -1.382 209 HE22 GLN 32 2HE2 GLN 32 0.053 0.994 -2.755 210 H ARG 33 H ARG 33 1.439 5.308 2.241 211 HA ARG 33 HA ARG 33 3.697 6.564 1.397 212 HB2 ARG 33 1HB ARG 33 1.898 7.397 3.679 213 HB3 ARG 33 2HB ARG 33 3.064 8.453 2.895 214 HG2 ARG 33 1HG ARG 33 1.855 8.092 0.751 215 HG3 ARG 33 2HG ARG 33 0.631 7.196 1.652 216 HD2 ARG 33 1HD ARG 33 -0.239 9.361 1.487 217 HD3 ARG 33 2HD ARG 33 0.437 9.283 3.114 218 HE ARG 33 HE ARG 33 1.959 10.887 2.520 219 HH11 ARG 33 1HH1 ARG 33 0.511 9.566 -0.357 220 HH12 ARG 33 2HH1 ARG 33 1.234 10.732 -1.414 221 HH21 ARG 33 1HH2 ARG 33 2.917 12.429 1.139 222 HH22 ARG 33 2HH2 ARG 33 2.603 12.360 -0.562 223 H VAL 34 H VAL 34 3.083 5.333 4.662 224 HA VAL 34 HA VAL 34 5.369 6.300 5.926 225 HB VAL 34 HB VAL 34 5.009 4.698 7.629 226 HG11 VAL 34 1HG1 VAL 34 2.804 5.109 8.208 227 HG12 VAL 34 2HG1 VAL 34 3.136 6.392 7.042 228 HG13 VAL 34 3HG1 VAL 34 2.232 4.960 6.546 229 HG21 VAL 34 3HG2 VAL 34 3.513 2.718 7.264 230 HG22 VAL 34 1HG2 VAL 34 3.560 3.083 5.539 231 HG23 VAL 34 2HG2 VAL 34 5.044 2.659 6.390 232 H HIS 35 H HIS 35 4.897 3.409 3.963 233 HA HIS 35 HA HIS 35 7.430 2.250 4.478 234 HB2 HIS 35 1HB HIS 35 5.400 1.889 2.283 235 HB3 HIS 35 2HB HIS 35 6.933 1.022 2.273 236 HD1 HIS 35 HD1 HIS 35 7.346 -0.551 4.435 237 HD2 HIS 35 HD2 HIS 35 3.447 0.725 3.781 238 HE1 HIS 35 HE1 HIS 35 5.898 -2.087 5.802 239 H MET 36 H MET 36 6.269 4.576 2.117 240 HA MET 36 HA MET 36 8.232 4.603 0.227 241 HB2 MET 36 1HB MET 36 6.957 7.019 1.523 242 HB3 MET 36 2HB MET 36 7.817 7.030 -0.011 243 HG2 MET 36 1HG MET 36 6.157 5.467 -0.929 244 HG3 MET 36 2HG MET 36 5.280 5.533 0.598 245 HE1 MET 36 3HE MET 36 3.743 7.545 -2.654 246 HE2 MET 36 1HE MET 36 5.469 7.388 -2.986 247 HE3 MET 36 2HE MET 36 4.554 5.999 -2.399 248 H GLY 37 H GLY 37 10.354 5.015 0.140 249 HA2 GLY 37 1HA GLY 37 12.083 5.040 2.196 250 HA3 GLY 37 2HA GLY 37 12.414 5.918 0.710 251 H GLU 38 H GLU 38 10.932 8.074 0.709 252 HA GLU 38 HA GLU 38 12.101 9.974 2.164 253 HB2 GLU 38 1HB GLU 38 9.146 9.822 1.552 254 HB3 GLU 38 2HB GLU 38 9.965 11.278 2.100 255 HG2 GLU 38 1HG GLU 38 11.488 10.968 0.075 256 HG3 GLU 38 2HG GLU 38 10.277 9.823 -0.499 257 H LYS 39 H LYS 39 12.707 9.692 4.238 258 HA LYS 39 HA LYS 39 10.866 10.146 6.317 259 HB2 LYS 39 1HB LYS 39 10.231 7.807 5.870 260 HB3 LYS 39 2HB LYS 39 11.896 7.308 6.140 261 HG2 LYS 39 1HG LYS 39 11.765 7.608 8.410 262 HG3 LYS 39 2HG LYS 39 10.469 8.800 8.286 263 HD2 LYS 39 1HD LYS 39 9.964 5.983 7.430 264 HD3 LYS 39 2HD LYS 39 9.968 6.380 9.150 265 HE2 LYS 39 1HE LYS 39 8.305 7.821 7.090 266 HE3 LYS 39 2HE LYS 39 7.718 6.468 8.056 267 HZ1 LYS 39 3HZ LYS 39 7.586 7.728 9.907 268 HZ2 LYS 39 1HZ LYS 39 7.432 8.990 8.791 269 HZ3 LYS 39 2HZ LYS 39 8.929 8.678 9.514 270 H CYS 40 H CYS 40 11.889 10.694 8.211 271 HA CYS 40 HA CYS 40 14.589 11.414 8.097 272 HB2 CYS 40 1HB CYS 40 12.649 12.219 9.664 273 HB3 CYS 40 2HB CYS 40 13.227 10.940 10.724 274 HG CYS 40 HG CYS 40 14.205 13.546 11.444 275 H SER 41 H SER 41 16.285 10.107 8.046 276 HA SER 41 HA SER 41 16.132 7.432 9.154 277 HB2 SER 41 1HB SER 41 18.371 8.846 7.685 278 HB3 SER 41 2HB SER 41 18.378 7.144 8.148 279 HG SER 41 HG SER 41 17.615 7.851 5.918 280 H GLY 42 H GLY 42 17.454 6.608 10.784 281 HA2 GLY 42 1HA GLY 42 19.208 6.810 12.402 282 HA3 GLY 42 2HA GLY 42 19.047 8.558 12.305 283 HA PRO 43 HA PRO 43 16.889 7.071 16.141 284 HB2 PRO 43 1HB PRO 43 18.040 8.896 17.788 285 HB3 PRO 43 2HB PRO 43 18.781 7.334 17.417 286 HG2 PRO 43 1HG PRO 43 19.354 10.029 16.246 287 HG3 PRO 43 2HG PRO 43 20.490 8.763 16.748 288 HD2 PRO 43 1HD PRO 43 19.804 9.161 14.159 289 HD3 PRO 43 2HD PRO 43 20.199 7.556 14.806 290 H SER 44 H SER 44 15.000 7.942 15.059 291 HA SER 44 HA SER 44 14.502 10.776 15.143 292 HB2 SER 44 1HB SER 44 13.556 9.446 13.330 293 HB3 SER 44 2HB SER 44 12.671 8.454 14.488 294 HG SER 44 HG SER 44 12.290 11.199 13.897 295 H SER 45 H SER 45 12.807 7.996 16.607 296 HA SER 45 HA SER 45 12.288 9.670 18.970 297 HB2 SER 45 1HB SER 45 10.033 8.633 19.138 298 HB3 SER 45 2HB SER 45 10.227 9.603 17.678 299 HG SER 45 HG SER 45 10.622 7.651 16.540 300 H GLY 46 H GLY 46 14.408 7.888 18.769 301 HA2 GLY 46 1HA GLY 46 14.905 6.578 20.868 302 HA3 GLY 46 2HA GLY 46 13.504 5.613 20.424
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