NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534867 | 2lmz | 18141 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H ILE 1 3.606 12.987 0.644 2 HA ILE 1 HA ILE 1 3.113 10.124 0.795 3 HB ILE 1 HB ILE 1 2.088 10.796 2.884 4 HG12 ILE 1 2HG1 ILE 1 -0.010 10.495 0.715 5 HG13 ILE 1 1HG1 ILE 1 0.826 9.168 1.522 6 HG21 ILE 1 1HG2 ILE 1 0.638 12.647 3.107 7 HG22 ILE 1 2HG2 ILE 1 0.342 12.733 1.370 8 HG23 ILE 1 3HG2 ILE 1 1.900 13.237 2.024 9 HD11 ILE 1 3HD1 ILE 1 -1.311 10.974 2.562 10 HD12 ILE 1 1HD1 ILE 1 -0.076 10.435 3.700 11 HD13 ILE 1 2HD1 ILE 1 -1.063 9.251 2.842 12 HA PRO 2 HA PRO 2 1.732 12.218 -3.063 13 HB2 PRO 2 2HB PRO 2 2.878 10.367 -4.733 14 HB3 PRO 2 1HB PRO 2 3.764 11.760 -4.078 15 HG2 PRO 2 2HG PRO 2 3.788 8.919 -3.204 16 HG3 PRO 2 1HG PRO 2 5.116 10.084 -3.290 17 HD2 PRO 2 2HD PRO 2 3.839 9.403 -0.970 18 HD3 PRO 2 1HD PRO 2 4.645 10.967 -1.228 19 H TYR 3 H TYR 3 1.101 10.270 -5.137 20 HA TYR 3 HA TYR 3 -1.499 9.526 -4.659 21 HB2 TYR 3 2HB TYR 3 -0.831 7.499 -6.221 22 HB3 TYR 3 1HB TYR 3 -0.747 9.154 -6.823 23 HD1 TYR 3 2HD TYR 3 1.681 7.835 -4.349 24 HD2 TYR 3 1HD TYR 3 0.939 8.670 -8.498 25 HE1 TYR 3 2HE TYR 3 4.089 7.526 -4.843 26 HE2 TYR 3 1HE TYR 3 3.349 8.360 -8.988 27 HH TYR 3 HH TYR 3 5.295 7.460 -8.133 28 H CYS 4 H CYS 4 0.241 6.559 -4.930 29 HA CYS 4 HA CYS 4 -1.174 5.272 -2.825 30 HB2 CYS 4 2HB CYS 4 0.108 4.324 -4.838 31 HB3 CYS 4 1HB CYS 4 1.569 4.527 -3.871 32 H GLY 5 H GLY 5 2.084 6.730 -2.889 33 HA2 GLY 5 2HA GLY 5 2.366 7.876 -0.493 34 HA3 GLY 5 1HA GLY 5 2.414 6.181 0.005 35 H GLN 6 H GLN 6 4.584 5.992 0.566 36 HA GLN 6 HA GLN 6 6.590 6.725 -1.540 37 HB2 GLN 6 2HB GLN 6 6.749 7.936 0.601 38 HB3 GLN 6 1HB GLN 6 6.830 6.399 1.469 39 HG2 GLN 6 2HG GLN 6 9.090 7.146 1.248 40 HG3 GLN 6 1HG GLN 6 8.887 5.862 0.055 41 HE21 GLN 6 1HE2 GLN 6 10.748 8.263 0.019 42 HE22 GLN 6 2HE2 GLN 6 10.395 9.063 -1.446 43 H THR 7 H THR 7 6.163 4.360 1.128 44 HA THR 7 HA THR 7 7.680 2.364 -0.507 45 HB THR 7 HB THR 7 8.265 1.396 1.585 46 HG1 THR 7 1HG THR 7 6.009 2.813 2.508 47 HG21 THR 7 3HG2 THR 7 9.218 3.207 2.826 48 HG22 THR 7 1HG2 THR 7 7.979 4.328 2.263 49 HG23 THR 7 2HG2 THR 7 9.195 3.723 1.139 50 H GLY 8 H GLY 8 6.814 0.003 0.426 51 HA2 GLY 8 2HA GLY 8 4.064 -0.155 -0.607 52 HA3 GLY 8 1HA GLY 8 5.094 -1.527 -0.183 53 H ALA 9 H ALA 9 5.765 -0.843 2.455 54 HA ALA 9 HA ALA 9 3.752 -1.927 4.024 55 HB1 ALA 9 1HB ALA 9 5.063 -1.192 5.813 56 HB2 ALA 9 2HB ALA 9 5.376 0.375 5.067 57 HB3 ALA 9 3HB ALA 9 6.213 -1.063 4.481 58 H GLU 10 H GLU 10 4.297 1.596 3.582 59 HA GLU 10 HA GLU 10 1.997 2.477 4.995 60 HB2 GLU 10 2HB GLU 10 2.369 4.550 3.603 61 HB3 GLU 10 1HB GLU 10 3.828 3.941 4.381 62 HG2 GLU 10 2HG GLU 10 4.703 4.136 2.280 63 HG3 GLU 10 1HG GLU 10 3.931 2.566 2.041 64 H CYS 11 H CYS 11 2.381 1.698 1.518 65 HA CYS 11 HA CYS 11 -0.293 2.435 0.749 66 HB2 CYS 11 2HB CYS 11 1.972 0.792 -0.331 67 HB3 CYS 11 1HB CYS 11 0.401 0.678 -1.122 68 H TYR 12 H TYR 12 1.155 -0.578 1.929 69 HA TYR 12 HA TYR 12 -0.869 -2.444 1.431 70 HB2 TYR 12 2HB TYR 12 1.493 -2.375 2.740 71 HB3 TYR 12 1HB TYR 12 0.397 -2.423 4.120 72 HD1 TYR 12 1HD TYR 12 -1.744 -4.117 3.556 73 HD2 TYR 12 2HD TYR 12 2.288 -4.461 2.120 74 HE1 TYR 12 1HE TYR 12 -2.077 -6.547 3.210 75 HE2 TYR 12 2HE TYR 12 1.956 -6.893 1.773 76 HH TYR 12 HH TYR 12 -0.186 -8.664 3.130 77 H SER 13 H SER 13 -0.973 0.313 3.565 78 HA SER 13 HA SER 13 -3.137 -0.710 5.248 79 HB2 SER 13 2HB SER 13 -1.736 1.926 4.817 80 HB3 SER 13 1HB SER 13 -3.131 1.806 5.884 81 HG SER 13 HG SER 13 -1.559 1.303 7.239 82 H TRP 14 H TRP 14 -2.899 1.288 2.328 83 HA TRP 14 HA TRP 14 -5.655 2.205 2.389 84 HB2 TRP 14 2HB TRP 14 -3.901 3.425 1.238 85 HB3 TRP 14 1HB TRP 14 -3.522 2.016 0.240 86 HD1 TRP 14 HD TRP 14 -6.638 4.207 0.982 87 HE1 TRP 14 1HE TRP 14 -7.946 4.500 -1.221 88 HE3 TRP 14 3HE TRP 14 -3.750 1.382 -2.144 89 HZ2 TRP 14 2HZ TRP 14 -7.789 3.648 -3.945 90 HZ3 TRP 14 3HZ TRP 14 -4.356 1.142 -4.536 91 HH2 TRP 14 HH TRP 14 -6.368 2.270 -5.439 92 H CYS 15 H CYS 15 -3.969 -0.194 0.334 93 HA CYS 15 HA CYS 15 -6.059 -1.189 -1.189 94 HB2 CYS 15 2HB CYS 15 -4.736 -3.387 -0.967 95 HB3 CYS 15 1HB CYS 15 -3.830 -1.971 -1.503 96 H ILE 16 H ILE 16 -5.360 -2.011 2.208 97 HA ILE 16 HA ILE 16 -7.251 -4.161 2.417 98 HB ILE 16 HB ILE 16 -6.254 -2.238 4.541 99 HG12 ILE 16 2HG1 ILE 16 -4.440 -3.292 3.149 100 HG13 ILE 16 1HG1 ILE 16 -4.402 -3.792 4.840 101 HG21 ILE 16 1HG2 ILE 16 -7.016 -5.150 4.820 102 HG22 ILE 16 2HG2 ILE 16 -8.190 -3.851 5.046 103 HG23 ILE 16 3HG2 ILE 16 -6.780 -3.960 6.101 104 HD11 ILE 16 3HD1 ILE 16 -4.376 -5.525 2.724 105 HD12 ILE 16 1HD1 ILE 16 -6.097 -5.472 3.102 106 HD13 ILE 16 2HD1 ILE 16 -4.935 -5.945 4.342 107 H LYS 17 H LYS 17 -7.594 -0.647 2.836 108 HA LYS 17 HA LYS 17 -10.080 -0.489 4.123 109 HB2 LYS 17 2HB LYS 17 -9.180 1.164 1.744 110 HB3 LYS 17 1HB LYS 17 -10.229 1.684 3.065 111 HG2 LYS 17 2HG LYS 17 -7.822 0.663 4.213 112 HG3 LYS 17 1HG LYS 17 -7.377 1.793 2.935 113 HD2 LYS 17 2HD LYS 17 -7.742 3.400 4.493 114 HD3 LYS 17 1HD LYS 17 -9.450 3.118 4.158 115 HE2 LYS 17 2HE LYS 17 -9.228 1.204 5.940 116 HE3 LYS 17 1HE LYS 17 -7.792 2.110 6.459 117 HZ1 LYS 17 3HZ LYS 17 -9.092 4.093 6.657 118 HZ2 LYS 17 1HZ LYS 17 -9.871 2.875 7.542 119 HZ3 LYS 17 2HZ LYS 17 -10.467 3.327 6.017 120 H GLN 18 H GLN 18 -9.351 -1.694 0.940 121 HA GLN 18 HA GLN 18 -11.958 -1.370 -0.260 122 HB2 GLN 18 2HB GLN 18 -9.732 -3.382 -0.738 123 HB3 GLN 18 1HB GLN 18 -11.044 -3.025 -1.861 124 HG2 GLN 18 2HG GLN 18 -9.222 -0.847 -0.835 125 HG3 GLN 18 1HG GLN 18 -8.793 -1.815 -2.250 126 HE21 GLN 18 1HE2 GLN 18 -10.573 0.927 -1.224 127 HE22 GLN 18 2HE2 GLN 18 -11.465 1.169 -2.648 128 H ASP 19 H ASP 19 -10.755 -3.439 2.196 129 HA ASP 19 HA ASP 19 -11.745 -5.221 3.379 130 HB2 ASP 19 2HB ASP 19 -13.547 -3.597 3.559 131 HB3 ASP 19 1HB ASP 19 -14.138 -4.024 1.950 132 H LEU 20 H LEU 20 -10.533 -5.954 0.877 133 HA LEU 20 HA LEU 20 -12.469 -7.837 -0.379 134 HB2 LEU 20 2HB LEU 20 -9.567 -7.475 -1.105 135 HB3 LEU 20 1HB LEU 20 -10.908 -7.927 -2.150 136 HG LEU 20 HG LEU 20 -10.282 -5.204 -1.001 137 HD11 LEU 20 1HD1 LEU 20 -9.952 -4.559 -3.202 138 HD12 LEU 20 2HD1 LEU 20 -11.035 -5.797 -3.837 139 HD13 LEU 20 3HD1 LEU 20 -9.419 -6.238 -3.286 140 HD21 LEU 20 3HD2 LEU 20 -12.431 -4.429 -1.806 141 HD22 LEU 20 1HD2 LEU 20 -12.729 -5.796 -0.735 142 HD23 LEU 20 2HD2 LEU 20 -12.802 -6.014 -2.482 143 H SER 21 H SER 21 -9.090 -8.012 0.818 144 HA SER 21 HA SER 21 -9.548 -10.253 2.561 145 HB2 SER 21 2HB SER 21 -10.032 -11.464 0.542 146 HB3 SER 21 1HB SER 21 -8.645 -10.763 -0.286 147 HG SER 21 HG SER 21 -8.554 -13.009 0.754 148 H LYS 22 H LYS 22 -7.578 -10.839 3.648 149 HA LYS 22 HA LYS 22 -5.528 -8.881 3.795 150 HB2 LYS 22 2HB LYS 22 -6.034 -11.661 4.713 151 HB3 LYS 22 1HB LYS 22 -4.346 -11.146 4.729 152 HG2 LYS 22 2HG LYS 22 -6.588 -9.520 5.954 153 HG3 LYS 22 1HG LYS 22 -5.611 -10.668 6.871 154 HD2 LYS 22 2HD LYS 22 -3.577 -9.369 5.900 155 HD3 LYS 22 1HD LYS 22 -4.751 -8.101 5.549 156 HE2 LYS 22 2HE LYS 22 -5.322 -8.886 8.189 157 HE3 LYS 22 1HE LYS 22 -3.551 -8.801 8.100 158 HZ1 LYS 22 3HZ LYS 22 -4.856 -6.633 8.502 159 HZ2 LYS 22 1HZ LYS 22 -5.217 -6.714 6.848 160 HZ3 LYS 22 2HZ LYS 22 -3.599 -6.624 7.360 161 H ASP 23 H ASP 23 -5.853 -11.727 1.746 162 HA ASP 23 HA ASP 23 -3.090 -11.570 0.747 163 HB2 ASP 23 2HB ASP 23 -4.974 -13.535 0.996 164 HB3 ASP 23 1HB ASP 23 -5.181 -13.100 -0.701 165 H TRP 24 H TRP 24 -6.192 -10.233 0.024 166 HA TRP 24 HA TRP 24 -5.989 -9.744 -2.764 167 HB2 TRP 24 2HB TRP 24 -8.025 -8.904 -2.241 168 HB3 TRP 24 1HB TRP 24 -7.639 -9.094 -0.532 169 HD1 TRP 24 HD TRP 24 -7.427 -6.940 0.846 170 HE1 TRP 24 1HE TRP 24 -7.340 -4.425 0.300 171 HE3 TRP 24 3HE TRP 24 -7.118 -7.158 -4.236 172 HZ2 TRP 24 2HZ TRP 24 -7.155 -2.724 -2.000 173 HZ3 TRP 24 3HZ TRP 24 -6.985 -5.083 -5.587 174 HH2 TRP 24 HH TRP 24 -7.004 -2.867 -4.474 175 H CYS 25 H CYS 25 -5.060 -7.598 -0.031 176 HA CYS 25 HA CYS 25 -3.799 -5.643 -1.762 177 HB2 CYS 25 2HB CYS 25 -4.653 -5.038 0.415 178 HB3 CYS 25 1HB CYS 25 -3.642 -6.258 1.198 179 H CYS 26 H CYS 26 -2.529 -8.275 0.303 180 HA CYS 26 HA CYS 26 0.211 -7.934 0.105 181 HB2 CYS 26 2HB CYS 26 -1.140 -9.791 1.201 182 HB3 CYS 26 1HB CYS 26 -1.247 -10.548 -0.387 183 H ASP 27 H ASP 27 -1.960 -9.235 -2.388 184 HA ASP 27 HA ASP 27 0.247 -9.666 -4.287 185 HB2 ASP 27 2HB ASP 27 -2.690 -10.150 -4.073 186 HB3 ASP 27 1HB ASP 27 -2.006 -10.062 -5.696 187 H PHE 28 H PHE 28 -1.972 -7.111 -3.473 188 HA PHE 28 HA PHE 28 -1.886 -5.838 -6.110 189 HB2 PHE 28 2HB PHE 28 -3.851 -5.414 -4.927 190 HB3 PHE 28 1HB PHE 28 -3.008 -5.278 -3.383 191 HD1 PHE 28 1HD PHE 28 -3.433 -3.566 -6.684 192 HD2 PHE 28 2HD PHE 28 -2.393 -3.173 -2.534 193 HE1 PHE 28 1HE PHE 28 -3.333 -1.101 -6.942 194 HE2 PHE 28 2HE PHE 28 -2.291 -0.712 -2.791 195 HZ PHE 28 HZ PHE 28 -2.760 0.325 -4.997 196 H VAL 29 H VAL 29 -0.808 -4.599 -2.900 197 HA VAL 29 HA VAL 29 0.844 -2.552 -3.970 198 HB VAL 29 HB VAL 29 0.101 -2.592 -1.661 199 HG11 VAL 29 1HG1 VAL 29 0.097 -5.041 -1.349 200 HG12 VAL 29 2HG1 VAL 29 0.980 -4.233 -0.052 201 HG13 VAL 29 3HG1 VAL 29 1.860 -5.041 -1.354 202 HG21 VAL 29 3HG2 VAL 29 2.138 -1.364 -1.988 203 HG22 VAL 29 1HG2 VAL 29 3.096 -2.844 -2.011 204 HG23 VAL 29 2HG2 VAL 29 2.348 -2.302 -0.508 205 H LYS 30 H LYS 30 1.451 -5.973 -3.604 206 HA LYS 30 HA LYS 30 4.362 -5.753 -3.855 207 HB2 LYS 30 2HB LYS 30 3.248 -7.596 -2.666 208 HB3 LYS 30 1HB LYS 30 2.403 -8.057 -4.145 209 HG2 LYS 30 2HG LYS 30 5.169 -7.900 -4.782 210 HG3 LYS 30 1HG LYS 30 5.031 -8.824 -3.284 211 HD2 LYS 30 2HD LYS 30 4.301 -10.604 -4.446 212 HD3 LYS 30 1HD LYS 30 2.929 -9.659 -5.028 213 HE2 LYS 30 2HE LYS 30 3.963 -10.190 -7.054 214 HE3 LYS 30 1HE LYS 30 4.785 -8.660 -6.679 215 HZ1 LYS 30 3HZ LYS 30 6.494 -9.924 -5.506 216 HZ2 LYS 30 1HZ LYS 30 6.407 -10.387 -7.135 217 HZ3 LYS 30 2HZ LYS 30 5.730 -11.379 -5.934 218 H ASP 31 H ASP 31 1.618 -6.042 -6.013 219 HA ASP 31 HA ASP 31 3.188 -6.849 -8.352 220 HB2 ASP 31 2HB ASP 31 0.703 -7.294 -7.744 221 HB3 ASP 31 1HB ASP 31 0.420 -5.647 -8.312 222 H ILE 32 H ILE 32 2.413 -3.872 -6.767 223 HA ILE 32 HA ILE 32 2.627 -2.196 -9.163 224 HB ILE 32 HB ILE 32 2.976 -1.089 -6.411 225 HG12 ILE 32 2HG1 ILE 32 1.334 -2.721 -5.832 226 HG13 ILE 32 1HG1 ILE 32 0.429 -1.244 -6.141 227 HG21 ILE 32 1HG2 ILE 32 0.857 0.134 -7.720 228 HG22 ILE 32 2HG2 ILE 32 1.948 -0.310 -9.032 229 HG23 ILE 32 3HG2 ILE 32 2.527 0.701 -7.707 230 HD11 ILE 32 3HD1 ILE 32 -0.818 -2.671 -7.437 231 HD12 ILE 32 1HD1 ILE 32 0.534 -3.762 -7.730 232 HD13 ILE 32 2HD1 ILE 32 0.411 -2.251 -8.630 233 H ARG 33 H ARG 33 4.954 -3.935 -8.662 234 HA ARG 33 HA ARG 33 7.313 -3.787 -8.458 235 HB2 ARG 33 2HB ARG 33 6.588 -1.078 -9.621 236 HB3 ARG 33 1HB ARG 33 8.148 -1.884 -9.781 237 HG2 ARG 33 2HG ARG 33 5.680 -3.351 -10.637 238 HG3 ARG 33 1HG ARG 33 6.330 -2.097 -11.694 239 HD2 ARG 33 2HD ARG 33 8.390 -3.236 -11.975 240 HD3 ARG 33 1HD ARG 33 8.102 -4.275 -10.566 241 HE ARG 33 HE ARG 33 6.740 -5.647 -11.927 242 HH11 ARG 33 1HH2 ARG 33 7.241 -2.528 -13.326 243 HH12 ARG 33 2HH2 ARG 33 6.433 -2.922 -14.806 244 HH21 ARG 33 1HH1 ARG 33 5.687 -6.168 -13.855 245 HH22 ARG 33 2HH1 ARG 33 5.556 -4.977 -15.105 246 H MET 34 H MET 34 6.037 -3.157 -6.005 247 HA MET 34 HA MET 34 7.623 -0.812 -5.011 248 HB2 MET 34 2HB MET 34 4.964 -2.047 -4.330 249 HB3 MET 34 1HB MET 34 5.810 -1.075 -3.125 250 HG2 MET 34 2HG MET 34 6.038 0.538 -5.304 251 HG3 MET 34 1HG MET 34 4.485 -0.236 -5.637 252 HE1 MET 34 3HE MET 34 5.321 2.795 -5.052 253 HE2 MET 34 1HE MET 34 6.383 2.438 -3.683 254 HE3 MET 34 2HE MET 34 4.938 3.418 -3.448 255 H ASN 35 H ASN 35 8.015 -1.166 -2.491 256 HA ASN 35 HA ASN 35 9.198 -3.903 -2.174 257 HB2 ASN 35 2HB ASN 35 10.240 -1.290 -1.992 258 HB3 ASN 35 1HB ASN 35 10.133 -1.867 -0.329 259 HD21 ASN 35 1HD2 ASN 35 11.976 -2.073 -3.231 260 HD22 ASN 35 2HD2 ASN 35 12.990 -3.361 -2.758 261 HA PRO 36 HA PRO 36 5.813 -3.817 0.896 262 HB2 PRO 36 2HB PRO 36 5.472 -6.529 0.912 263 HB3 PRO 36 1HB PRO 36 4.709 -5.468 -0.290 264 HG2 PRO 36 2HG PRO 36 7.144 -7.165 -0.537 265 HG3 PRO 36 1HG PRO 36 5.859 -6.858 -1.715 266 HD2 PRO 36 2HD PRO 36 8.291 -5.639 -1.811 267 HD3 PRO 36 1HD PRO 36 6.801 -4.892 -2.429 268 HA PRO 37 HA PRO 37 8.494 -4.932 4.209 269 HB2 PRO 37 2HB PRO 37 6.684 -4.855 6.254 270 HB3 PRO 37 1HB PRO 37 7.307 -3.394 5.464 271 HG2 PRO 37 2HG PRO 37 4.682 -4.719 5.179 272 HG3 PRO 37 1HG PRO 37 5.112 -3.011 5.021 273 HD2 PRO 37 2HD PRO 37 4.651 -4.795 2.917 274 HD3 PRO 37 1HD PRO 37 5.430 -3.202 2.788 275 H ALA 38 H ALA 38 8.763 -6.685 5.867 276 HA ALA 38 HA ALA 38 7.434 -9.192 4.966 277 HB1 ALA 38 1HB ALA 38 9.321 -10.209 6.277 278 HB2 ALA 38 2HB ALA 38 9.855 -8.580 6.693 279 HB3 ALA 38 3HB ALA 38 9.872 -9.113 5.011 280 H ASP 39 H ASP 39 6.860 -6.872 7.250 281 HA ASP 39 HA ASP 39 6.016 -8.815 9.362 282 HB2 ASP 39 2HB ASP 39 5.830 -6.649 10.692 283 HB3 ASP 39 1HB ASP 39 7.457 -7.044 10.134 284 H LYS 40 H LYS 40 4.587 -8.210 6.749 285 HA LYS 40 HA LYS 40 1.974 -7.367 7.956 286 HB2 LYS 40 2HB LYS 40 3.474 -5.852 6.273 287 HB3 LYS 40 1HB LYS 40 2.532 -6.772 5.099 288 HG2 LYS 40 2HG LYS 40 1.012 -5.096 5.456 289 HG3 LYS 40 1HG LYS 40 0.564 -6.113 6.827 290 HD2 LYS 40 2HD LYS 40 2.510 -4.771 8.030 291 HD3 LYS 40 1HD LYS 40 2.142 -3.571 6.791 292 HE2 LYS 40 2HE LYS 40 -0.234 -4.727 8.127 293 HE3 LYS 40 1HE LYS 40 0.801 -3.722 9.162 294 HZ1 LYS 40 3HZ LYS 40 -0.476 -2.134 8.119 295 HZ2 LYS 40 1HZ LYS 40 -0.580 -3.001 6.666 296 HZ3 LYS 40 2HZ LYS 40 0.864 -2.205 7.075 297 H CYS 41 H CYS 41 3.554 -9.037 5.215 298 HA CYS 41 HA CYS 41 1.183 -10.875 5.101 299 HB2 CYS 41 2HB CYS 41 1.648 -9.169 3.215 300 HB3 CYS 41 1HB CYS 41 3.034 -10.190 2.814 301 HA PRO 42 HA PRO 42 4.506 -13.716 6.136 302 HB2 PRO 42 2HB PRO 42 2.864 -15.852 6.623 303 HB3 PRO 42 1HB PRO 42 3.134 -14.553 7.802 304 HG2 PRO 42 2HG PRO 42 0.837 -14.991 5.964 305 HG3 PRO 42 1HG PRO 42 0.852 -14.393 7.629 306 HD2 PRO 42 2HD PRO 42 0.584 -12.779 5.442 307 HD3 PRO 42 1HD PRO 42 1.272 -12.240 6.993 Start of MODEL 2 1 H1 ILE 1 H ILE 1 7.800 15.230 2.868 2 HA ILE 1 HA ILE 1 4.800 15.119 2.962 3 HB ILE 1 HB ILE 1 6.452 15.665 0.490 4 HG12 ILE 1 2HG1 ILE 1 5.355 17.718 2.443 5 HG13 ILE 1 1HG1 ILE 1 7.064 17.359 2.195 6 HG21 ILE 1 1HG2 ILE 1 3.960 15.027 0.479 7 HG22 ILE 1 2HG2 ILE 1 4.410 16.491 -0.395 8 HG23 ILE 1 3HG2 ILE 1 3.672 16.609 1.203 9 HD11 ILE 1 3HD1 ILE 1 6.956 19.042 0.664 10 HD12 ILE 1 1HD1 ILE 1 5.203 18.917 0.508 11 HD13 ILE 1 2HD1 ILE 1 6.249 17.804 -0.375 12 HA PRO 2 HA PRO 2 6.493 11.008 1.791 13 HB2 PRO 2 2HB PRO 2 5.126 9.560 3.661 14 HB3 PRO 2 1HB PRO 2 6.691 10.333 3.990 15 HG2 PRO 2 2HG PRO 2 3.981 11.128 4.842 16 HG3 PRO 2 1HG PRO 2 5.543 11.417 5.618 17 HD2 PRO 2 2HD PRO 2 4.054 13.262 4.105 18 HD3 PRO 2 1HD PRO 2 5.738 13.447 4.645 19 H TYR 3 H TYR 3 5.442 10.161 0.034 20 HA TYR 3 HA TYR 3 2.494 10.408 -0.194 21 HB2 TYR 3 2HB TYR 3 2.915 10.020 -2.518 22 HB3 TYR 3 1HB TYR 3 4.275 11.007 -1.966 23 HD1 TYR 3 1HD TYR 3 6.502 10.023 -1.637 24 HD2 TYR 3 2HD TYR 3 3.202 7.661 -3.046 25 HE1 TYR 3 1HE TYR 3 8.071 8.226 -2.304 26 HE2 TYR 3 2HE TYR 3 4.773 5.864 -3.712 27 HH TYR 3 HH TYR 3 7.238 5.717 -4.345 28 H CYS 4 H CYS 4 1.226 8.682 0.426 29 HA CYS 4 HA CYS 4 0.571 6.458 0.886 30 HB2 CYS 4 2HB CYS 4 0.843 6.054 -1.415 31 HB3 CYS 4 1HB CYS 4 2.581 6.302 -1.355 32 H GLY 5 H GLY 5 3.367 7.746 1.973 33 HA2 GLY 5 2HA GLY 5 4.427 6.992 4.007 34 HA3 GLY 5 1HA GLY 5 3.980 5.335 3.589 35 H GLN 6 H GLN 6 5.061 6.684 0.781 36 HA GLN 6 HA GLN 6 7.109 6.572 -0.399 37 HB2 GLN 6 2HB GLN 6 7.669 7.840 1.833 38 HB3 GLN 6 1HB GLN 6 8.477 6.331 2.274 39 HG2 GLN 6 2HG GLN 6 10.031 6.504 0.527 40 HG3 GLN 6 1HG GLN 6 9.012 7.610 -0.397 41 HE21 GLN 6 1HE2 GLN 6 8.536 9.777 0.942 42 HE22 GLN 6 2HE2 GLN 6 9.902 10.459 1.703 43 H THR 7 H THR 7 5.707 4.131 1.171 44 HA THR 7 HA THR 7 7.615 2.132 0.107 45 HB THR 7 HB THR 7 7.653 0.997 2.359 46 HG1 THR 7 1HG THR 7 6.736 1.957 4.039 47 HG21 THR 7 3HG2 THR 7 8.690 3.843 2.395 48 HG22 THR 7 1HG2 THR 7 9.482 2.509 1.556 49 HG23 THR 7 2HG2 THR 7 9.324 2.476 3.312 50 H GLY 8 H GLY 8 6.533 0.251 -0.513 51 HA2 GLY 8 2HA GLY 8 3.692 0.274 -0.767 52 HA3 GLY 8 1HA GLY 8 4.712 -1.151 -0.991 53 H ALA 9 H ALA 9 5.731 -0.551 1.881 54 HA ALA 9 HA ALA 9 3.976 -2.422 3.221 55 HB1 ALA 9 1HB ALA 9 5.483 -1.315 5.185 56 HB2 ALA 9 2HB ALA 9 6.412 -0.809 3.773 57 HB3 ALA 9 3HB ALA 9 6.112 -2.523 4.064 58 H GLU 10 H GLU 10 4.163 1.088 3.051 59 HA GLU 10 HA GLU 10 2.412 1.540 5.356 60 HB2 GLU 10 2HB GLU 10 3.565 3.209 3.111 61 HB3 GLU 10 1HB GLU 10 2.473 3.895 4.315 62 HG2 GLU 10 2HG GLU 10 4.909 2.327 5.154 63 HG3 GLU 10 1HG GLU 10 5.025 4.047 4.765 64 H CYS 11 H CYS 11 2.073 1.617 1.801 65 HA CYS 11 HA CYS 11 -0.689 2.417 1.758 66 HB2 CYS 11 2HB CYS 11 1.392 1.371 -0.055 67 HB3 CYS 11 1HB CYS 11 -0.256 0.962 -0.537 68 H TYR 12 H TYR 12 0.865 -0.576 2.528 69 HA TYR 12 HA TYR 12 -0.831 -2.612 1.772 70 HB2 TYR 12 2HB TYR 12 0.794 -3.452 3.127 71 HB3 TYR 12 1HB TYR 12 0.920 -1.946 4.035 72 HD1 TYR 12 2HD TYR 12 -1.658 -4.654 3.553 73 HD2 TYR 12 1HD TYR 12 0.470 -2.130 6.301 74 HE1 TYR 12 2HE TYR 12 -2.873 -5.692 5.447 75 HE2 TYR 12 1HE TYR 12 -0.746 -3.170 8.195 76 HH TYR 12 HH TYR 12 -3.488 -5.152 7.753 77 H SER 13 H SER 13 -1.353 -0.510 4.630 78 HA SER 13 HA SER 13 -3.864 -1.540 5.430 79 HB2 SER 13 2HB SER 13 -2.129 0.331 6.307 80 HB3 SER 13 1HB SER 13 -3.353 1.389 5.611 81 HG SER 13 HG SER 13 -3.710 0.794 7.846 82 H TRP 14 H TRP 14 -3.057 0.422 2.660 83 HA TRP 14 HA TRP 14 -5.750 1.510 2.281 84 HB2 TRP 14 2HB TRP 14 -3.419 2.391 1.530 85 HB3 TRP 14 1HB TRP 14 -3.576 1.236 0.204 86 HD1 TRP 14 HD TRP 14 -5.595 4.128 1.789 87 HE1 TRP 14 1HE TRP 14 -6.909 5.310 -0.090 88 HE3 TRP 14 3HE TRP 14 -4.343 1.152 -2.166 89 HZ2 TRP 14 2HZ TRP 14 -7.369 5.027 -2.899 90 HZ3 TRP 14 3HZ TRP 14 -5.231 1.629 -4.430 91 HH2 TRP 14 HH TRP 14 -6.742 3.561 -4.802 92 H CYS 15 H CYS 15 -3.812 -0.713 0.235 93 HA CYS 15 HA CYS 15 -5.786 -1.679 -1.449 94 HB2 CYS 15 2HB CYS 15 -4.456 -4.004 -0.958 95 HB3 CYS 15 1HB CYS 15 -3.820 -2.725 -1.971 96 H ILE 16 H ILE 16 -5.513 -2.302 1.983 97 HA ILE 16 HA ILE 16 -7.362 -4.561 2.010 98 HB ILE 16 HB ILE 16 -6.372 -2.678 4.170 99 HG12 ILE 16 2HG1 ILE 16 -4.961 -4.522 2.567 100 HG13 ILE 16 1HG1 ILE 16 -4.387 -3.745 4.037 101 HG21 ILE 16 1HG2 ILE 16 -8.438 -4.027 4.705 102 HG22 ILE 16 2HG2 ILE 16 -7.057 -4.375 5.744 103 HG23 ILE 16 3HG2 ILE 16 -7.482 -5.486 4.442 104 HD11 ILE 16 3HD1 ILE 16 -5.098 -5.589 5.394 105 HD12 ILE 16 1HD1 ILE 16 -4.262 -6.293 4.009 106 HD13 ILE 16 2HD1 ILE 16 -6.025 -6.294 4.069 107 H LYS 17 H LYS 17 -7.657 -1.060 2.151 108 HA LYS 17 HA LYS 17 -10.300 -0.997 3.342 109 HB2 LYS 17 2HB LYS 17 -10.085 1.311 3.044 110 HB3 LYS 17 1HB LYS 17 -8.398 0.809 3.054 111 HG2 LYS 17 2HG LYS 17 -8.221 0.981 0.687 112 HG3 LYS 17 1HG LYS 17 -9.969 1.042 0.477 113 HD2 LYS 17 2HD LYS 17 -8.298 3.163 1.851 114 HD3 LYS 17 1HD LYS 17 -8.971 3.283 0.224 115 HE2 LYS 17 2HE LYS 17 -11.089 2.524 2.006 116 HE3 LYS 17 1HE LYS 17 -10.262 3.944 2.680 117 HZ1 LYS 17 3HZ LYS 17 -11.987 4.505 1.000 118 HZ2 LYS 17 1HZ LYS 17 -11.073 3.683 -0.168 119 HZ3 LYS 17 2HZ LYS 17 -10.436 5.063 0.592 120 H GLN 18 H GLN 18 -9.085 -1.510 0.113 121 HA GLN 18 HA GLN 18 -11.338 -0.770 -1.449 122 HB2 GLN 18 2HB GLN 18 -9.273 -2.977 -1.720 123 HB3 GLN 18 1HB GLN 18 -10.346 -2.471 -3.027 124 HG2 GLN 18 2HG GLN 18 -8.270 -0.782 -1.603 125 HG3 GLN 18 1HG GLN 18 -8.242 -1.303 -3.292 126 HE21 GLN 18 1HE2 GLN 18 -8.215 1.493 -2.415 127 HE22 GLN 18 2HE2 GLN 18 -9.636 2.213 -3.003 128 H ASP 19 H ASP 19 -10.954 -3.272 0.865 129 HA ASP 19 HA ASP 19 -12.595 -4.726 1.754 130 HB2 ASP 19 2HB ASP 19 -14.008 -2.873 0.278 131 HB3 ASP 19 1HB ASP 19 -14.510 -4.404 -0.451 132 H LEU 20 H LEU 20 -10.692 -6.142 0.687 133 HA LEU 20 HA LEU 20 -12.092 -8.126 -1.064 134 HB2 LEU 20 2HB LEU 20 -9.464 -8.344 -1.846 135 HB3 LEU 20 1HB LEU 20 -10.693 -7.458 -2.734 136 HG LEU 20 HG LEU 20 -9.020 -6.178 -0.567 137 HD11 LEU 20 1HD1 LEU 20 -7.869 -7.178 -2.784 138 HD12 LEU 20 2HD1 LEU 20 -7.357 -5.657 -2.060 139 HD13 LEU 20 3HD1 LEU 20 -8.454 -5.654 -3.439 140 HD21 LEU 20 3HD2 LEU 20 -11.287 -5.409 -2.044 141 HD22 LEU 20 1HD2 LEU 20 -9.934 -4.531 -2.756 142 HD23 LEU 20 2HD2 LEU 20 -10.275 -4.378 -1.035 143 H SER 21 H SER 21 -9.036 -7.676 0.780 144 HA SER 21 HA SER 21 -9.541 -9.655 2.740 145 HB2 SER 21 2HB SER 21 -9.156 -10.670 0.097 146 HB3 SER 21 1HB SER 21 -7.760 -11.146 1.061 147 HG SER 21 HG SER 21 -9.166 -12.670 1.596 148 H LYS 22 H LYS 22 -7.512 -10.317 3.886 149 HA LYS 22 HA LYS 22 -5.634 -8.166 4.117 150 HB2 LYS 22 2HB LYS 22 -6.225 -9.786 5.893 151 HB3 LYS 22 1HB LYS 22 -5.471 -11.080 4.962 152 HG2 LYS 22 2HG LYS 22 -3.418 -10.519 5.705 153 HG3 LYS 22 1HG LYS 22 -3.662 -8.828 5.265 154 HD2 LYS 22 2HD LYS 22 -3.476 -8.624 7.567 155 HD3 LYS 22 1HD LYS 22 -5.221 -8.842 7.413 156 HE2 LYS 22 2HE LYS 22 -4.863 -10.514 8.955 157 HE3 LYS 22 1HE LYS 22 -4.389 -11.448 7.522 158 HZ1 LYS 22 3HZ LYS 22 -2.121 -10.615 7.795 159 HZ2 LYS 22 1HZ LYS 22 -2.621 -11.491 9.158 160 HZ3 LYS 22 2HZ LYS 22 -2.585 -9.794 9.208 161 H ASP 23 H ASP 23 -5.375 -11.379 2.569 162 HA ASP 23 HA ASP 23 -2.662 -10.978 1.629 163 HB2 ASP 23 2HB ASP 23 -3.073 -13.069 0.493 164 HB3 ASP 23 1HB ASP 23 -3.917 -13.151 2.038 165 H TRP 24 H TRP 24 -5.894 -10.495 0.228 166 HA TRP 24 HA TRP 24 -5.322 -10.069 -2.468 167 HB2 TRP 24 2HB TRP 24 -7.402 -9.612 -0.653 168 HB3 TRP 24 1HB TRP 24 -7.070 -8.018 -1.337 169 HD1 TRP 24 HD TRP 24 -9.184 -10.821 -1.973 170 HE1 TRP 24 1HE TRP 24 -9.852 -11.016 -4.457 171 HE3 TRP 24 3HE TRP 24 -5.771 -7.658 -4.038 172 HZ2 TRP 24 2HZ TRP 24 -9.042 -9.955 -6.990 173 HZ3 TRP 24 3HZ TRP 24 -5.736 -7.258 -6.487 174 HH2 TRP 24 HH TRP 24 -7.370 -8.399 -7.964 175 H CYS 25 H CYS 25 -4.821 -7.835 0.254 176 HA CYS 25 HA CYS 25 -3.834 -5.667 -1.442 177 HB2 CYS 25 2HB CYS 25 -4.854 -4.948 0.543 178 HB3 CYS 25 1HB CYS 25 -4.190 -6.287 1.476 179 H CYS 26 H CYS 26 -2.344 -8.000 0.840 180 HA CYS 26 HA CYS 26 0.322 -7.248 0.784 181 HB2 CYS 26 2HB CYS 26 -1.118 -9.391 1.633 182 HB3 CYS 26 1HB CYS 26 -0.236 -10.127 0.296 183 H ASP 27 H ASP 27 -1.484 -8.910 -1.780 184 HA ASP 27 HA ASP 27 0.894 -9.154 -3.504 185 HB2 ASP 27 2HB ASP 27 -0.792 -10.893 -3.517 186 HB3 ASP 27 1HB ASP 27 -2.071 -9.717 -3.817 187 H PHE 28 H PHE 28 -1.820 -6.988 -3.039 188 HA PHE 28 HA PHE 28 -1.797 -5.662 -5.578 189 HB2 PHE 28 2HB PHE 28 -3.658 -5.377 -4.125 190 HB3 PHE 28 1HB PHE 28 -2.623 -4.944 -2.760 191 HD1 PHE 28 1HD PHE 28 -1.395 -2.746 -2.776 192 HD2 PHE 28 2HD PHE 28 -4.378 -3.735 -5.705 193 HE1 PHE 28 1HE PHE 28 -1.586 -0.351 -3.390 194 HE2 PHE 28 2HE PHE 28 -4.568 -1.339 -6.319 195 HZ PHE 28 HZ PHE 28 -3.172 0.353 -5.162 196 H VAL 29 H VAL 29 -0.123 -4.914 -2.501 197 HA VAL 29 HA VAL 29 1.160 -2.517 -3.350 198 HB VAL 29 HB VAL 29 2.507 -2.843 -1.401 199 HG11 VAL 29 1HG1 VAL 29 0.453 -4.493 -0.235 200 HG12 VAL 29 2HG1 VAL 29 -0.276 -3.354 -1.367 201 HG13 VAL 29 3HG1 VAL 29 0.721 -2.761 -0.037 202 HG21 VAL 29 3HG2 VAL 29 2.048 -5.757 -1.994 203 HG22 VAL 29 1HG2 VAL 29 2.470 -5.245 -0.359 204 HG23 VAL 29 2HG2 VAL 29 3.567 -4.910 -1.699 205 H LYS 30 H LYS 30 1.927 -5.904 -3.936 206 HA LYS 30 HA LYS 30 4.606 -5.338 -4.993 207 HB2 LYS 30 2HB LYS 30 4.164 -7.435 -3.879 208 HB3 LYS 30 1HB LYS 30 2.772 -7.749 -4.916 209 HG2 LYS 30 2HG LYS 30 4.811 -7.373 -6.746 210 HG3 LYS 30 1HG LYS 30 5.624 -8.218 -5.428 211 HD2 LYS 30 2HD LYS 30 4.264 -10.101 -5.613 212 HD3 LYS 30 1HD LYS 30 2.951 -9.201 -6.375 213 HE2 LYS 30 2HE LYS 30 3.790 -10.244 -8.265 214 HE3 LYS 30 1HE LYS 30 4.878 -8.843 -8.247 215 HZ1 LYS 30 3HZ LYS 30 5.391 -11.600 -7.416 216 HZ2 LYS 30 1HZ LYS 30 6.125 -10.368 -6.511 217 HZ3 LYS 30 2HZ LYS 30 6.427 -10.489 -8.179 218 H ASP 31 H ASP 31 1.337 -5.676 -6.243 219 HA ASP 31 HA ASP 31 2.047 -6.077 -9.019 220 HB2 ASP 31 2HB ASP 31 -0.201 -6.245 -7.507 221 HB3 ASP 31 1HB ASP 31 -0.468 -4.679 -8.272 222 H ILE 32 H ILE 32 2.026 -3.324 -6.919 223 HA ILE 32 HA ILE 32 1.908 -1.391 -9.163 224 HB ILE 32 HB ILE 32 1.947 0.240 -7.286 225 HG12 ILE 32 2HG1 ILE 32 1.765 -1.957 -5.283 226 HG13 ILE 32 1HG1 ILE 32 3.370 -1.613 -5.930 227 HG21 ILE 32 1HG2 ILE 32 0.058 -2.109 -6.935 228 HG22 ILE 32 2HG2 ILE 32 -0.205 -0.702 -7.964 229 HG23 ILE 32 3HG2 ILE 32 -0.176 -0.520 -6.209 230 HD11 ILE 32 3HD1 ILE 32 2.780 -0.285 -3.862 231 HD12 ILE 32 1HD1 ILE 32 1.527 0.515 -4.811 232 HD13 ILE 32 2HD1 ILE 32 3.223 0.701 -5.255 233 H ARG 33 H ARG 33 4.217 -3.389 -8.398 234 HA ARG 33 HA ARG 33 6.551 -3.317 -8.816 235 HB2 ARG 33 2HB ARG 33 5.456 -1.053 -10.023 236 HB3 ARG 33 1HB ARG 33 6.763 -0.410 -9.027 237 HG2 ARG 33 2HG ARG 33 8.093 -0.989 -10.774 238 HG3 ARG 33 1HG ARG 33 7.948 -2.624 -10.128 239 HD2 ARG 33 2HD ARG 33 5.608 -2.198 -11.660 240 HD3 ARG 33 1HD ARG 33 6.961 -1.606 -12.643 241 HE ARG 33 HE ARG 33 6.511 -4.374 -11.896 242 HH11 ARG 33 1HH2 ARG 33 8.886 -1.934 -12.475 243 HH12 ARG 33 2HH2 ARG 33 10.114 -3.059 -12.947 244 HH21 ARG 33 1HH1 ARG 33 8.105 -5.851 -12.514 245 HH22 ARG 33 2HH1 ARG 33 9.673 -5.273 -12.970 246 H MET 34 H MET 34 5.111 -2.575 -6.130 247 HA MET 34 HA MET 34 7.371 -1.121 -4.822 248 HB2 MET 34 2HB MET 34 4.457 -1.476 -4.414 249 HB3 MET 34 1HB MET 34 5.420 -1.419 -2.937 250 HG2 MET 34 2HG MET 34 5.612 0.633 -5.160 251 HG3 MET 34 1HG MET 34 4.619 0.837 -3.712 252 HE1 MET 34 3HE MET 34 5.847 2.331 -1.591 253 HE2 MET 34 1HE MET 34 5.444 2.803 -3.248 254 HE3 MET 34 2HE MET 34 7.000 3.253 -2.554 255 H ASN 35 H ASN 35 8.070 -2.008 -2.671 256 HA ASN 35 HA ASN 35 8.253 -4.977 -2.789 257 HB2 ASN 35 2HB ASN 35 10.078 -2.955 -2.403 258 HB3 ASN 35 1HB ASN 35 9.751 -3.465 -0.747 259 HD21 ASN 35 1HD2 ASN 35 12.259 -3.940 -2.254 260 HD22 ASN 35 2HD2 ASN 35 12.445 -5.634 -2.346 261 HA PRO 36 HA PRO 36 5.221 -4.903 0.511 262 HB2 PRO 36 2HB PRO 36 4.922 -7.615 0.649 263 HB3 PRO 36 1HB PRO 36 4.128 -6.617 -0.586 264 HG2 PRO 36 2HG PRO 36 6.552 -8.324 -0.799 265 HG3 PRO 36 1HG PRO 36 5.275 -8.021 -1.986 266 HD2 PRO 36 2HD PRO 36 7.749 -6.838 -2.054 267 HD3 PRO 36 1HD PRO 36 6.287 -6.136 -2.781 268 HA PRO 37 HA PRO 37 8.001 -5.769 3.816 269 HB2 PRO 37 2HB PRO 37 6.244 -5.471 5.889 270 HB3 PRO 37 1HB PRO 37 6.897 -4.099 4.974 271 HG2 PRO 37 2HG PRO 37 4.230 -5.376 4.817 272 HG3 PRO 37 1HG PRO 37 4.691 -3.687 4.573 273 HD2 PRO 37 2HD PRO 37 4.144 -5.509 2.553 274 HD3 PRO 37 1HD PRO 37 5.046 -3.990 2.353 275 H ALA 38 H ALA 38 8.615 -7.636 4.920 276 HA ALA 38 HA ALA 38 6.865 -10.005 4.653 277 HB1 ALA 38 1HB ALA 38 8.919 -10.893 4.343 278 HB2 ALA 38 2HB ALA 38 9.285 -10.560 6.036 279 HB3 ALA 38 3HB ALA 38 9.672 -9.365 4.799 280 H ASP 39 H ASP 39 8.143 -7.881 7.171 281 HA ASP 39 HA ASP 39 7.130 -9.601 9.344 282 HB2 ASP 39 2HB ASP 39 8.485 -6.892 9.188 283 HB3 ASP 39 1HB ASP 39 8.041 -7.666 10.710 284 H LYS 40 H LYS 40 6.024 -6.934 7.416 285 HA LYS 40 HA LYS 40 3.922 -6.201 9.390 286 HB2 LYS 40 2HB LYS 40 5.323 -4.520 8.133 287 HB3 LYS 40 1HB LYS 40 4.556 -5.075 6.645 288 HG2 LYS 40 2HG LYS 40 2.797 -3.732 7.043 289 HG3 LYS 40 1HG LYS 40 2.497 -4.573 8.565 290 HD2 LYS 40 2HD LYS 40 4.747 -2.629 8.548 291 HD3 LYS 40 1HD LYS 40 3.121 -1.951 8.456 292 HE2 LYS 40 2HE LYS 40 2.584 -2.615 10.592 293 HE3 LYS 40 1HE LYS 40 3.543 -4.104 10.477 294 HZ1 LYS 40 3HZ LYS 40 4.750 -1.394 10.533 295 HZ2 LYS 40 1HZ LYS 40 5.546 -2.883 10.690 296 HZ3 LYS 40 2HZ LYS 40 4.525 -2.332 11.931 297 H CYS 41 H CYS 41 4.362 -7.929 6.372 298 HA CYS 41 HA CYS 41 1.407 -8.449 6.295 299 HB2 CYS 41 2HB CYS 41 2.598 -6.924 4.515 300 HB3 CYS 41 1HB CYS 41 3.185 -8.459 3.864 301 HA PRO 42 HA PRO 42 4.081 -12.330 6.392 302 HB2 PRO 42 2HB PRO 42 3.375 -13.222 8.881 303 HB3 PRO 42 1HB PRO 42 4.764 -12.155 8.596 304 HG2 PRO 42 2HG PRO 42 2.049 -11.496 9.610 305 HG3 PRO 42 1HG PRO 42 3.621 -10.830 10.074 306 HD2 PRO 42 2HD PRO 42 1.849 -9.561 8.413 307 HD3 PRO 42 1HD PRO 42 3.606 -9.284 8.395 Start of MODEL 3 1 H1 ILE 1 H ILE 1 6.449 10.466 -6.582 2 HA ILE 1 HA ILE 1 4.203 10.272 -8.442 3 HB ILE 1 HB ILE 1 4.267 7.635 -7.884 4 HG12 ILE 1 2HG1 ILE 1 6.588 6.808 -8.106 5 HG13 ILE 1 1HG1 ILE 1 7.184 8.466 -8.065 6 HG21 ILE 1 1HG2 ILE 1 6.041 8.062 -10.111 7 HG22 ILE 1 2HG2 ILE 1 4.796 9.311 -10.101 8 HG23 ILE 1 3HG2 ILE 1 4.337 7.608 -10.128 9 HD11 ILE 1 3HD1 ILE 1 6.564 8.763 -5.809 10 HD12 ILE 1 1HD1 ILE 1 7.208 7.123 -5.850 11 HD13 ILE 1 2HD1 ILE 1 5.465 7.383 -5.838 12 HA PRO 2 HA PRO 2 3.243 10.295 -3.902 13 HB2 PRO 2 2HB PRO 2 2.000 12.731 -3.848 14 HB3 PRO 2 1HB PRO 2 3.751 12.540 -3.622 15 HG2 PRO 2 2HG PRO 2 2.240 13.458 -5.999 16 HG3 PRO 2 1HG PRO 2 3.841 13.938 -5.420 17 HD2 PRO 2 2HD PRO 2 3.351 12.184 -7.513 18 HD3 PRO 2 1HD PRO 2 4.881 12.314 -6.616 19 H TYR 3 H TYR 3 1.680 8.617 -4.482 20 HA TYR 3 HA TYR 3 -1.009 9.718 -5.203 21 HB2 TYR 3 2HB TYR 3 -0.976 8.382 -7.023 22 HB3 TYR 3 1HB TYR 3 0.691 7.962 -6.630 23 HD1 TYR 3 1HD TYR 3 -2.808 7.079 -5.580 24 HD2 TYR 3 2HD TYR 3 1.202 5.713 -6.292 25 HE1 TYR 3 1HE TYR 3 -3.516 4.750 -5.097 26 HE2 TYR 3 2HE TYR 3 0.495 3.387 -5.806 27 HH TYR 3 HH TYR 3 -1.232 2.190 -4.679 28 H CYS 4 H CYS 4 0.846 7.828 -3.015 29 HA CYS 4 HA CYS 4 -1.435 7.460 -1.246 30 HB2 CYS 4 2HB CYS 4 -1.540 5.019 -1.415 31 HB3 CYS 4 1HB CYS 4 -1.804 5.730 -3.007 32 H GLY 5 H GLY 5 1.883 6.487 -2.092 33 HA2 GLY 5 2HA GLY 5 2.929 7.217 0.464 34 HA3 GLY 5 1HA GLY 5 2.663 5.470 0.440 35 H GLN 6 H GLN 6 5.176 7.215 0.390 36 HA GLN 6 HA GLN 6 6.466 6.893 -2.160 37 HB2 GLN 6 2HB GLN 6 8.528 7.214 -0.675 38 HB3 GLN 6 1HB GLN 6 7.291 8.469 -0.544 39 HG2 GLN 6 2HG GLN 6 6.650 7.813 1.569 40 HG3 GLN 6 1HG GLN 6 7.057 6.121 1.282 41 HE21 GLN 6 1HE2 GLN 6 9.104 9.060 0.883 42 HE22 GLN 6 2HE2 GLN 6 10.311 8.546 1.975 43 H THR 7 H THR 7 5.771 4.688 0.424 44 HA THR 7 HA THR 7 7.529 2.627 -0.868 45 HB THR 7 HB THR 7 7.651 1.673 1.462 46 HG1 THR 7 1HG THR 7 6.871 4.043 2.589 47 HG21 THR 7 3HG2 THR 7 9.457 3.095 0.635 48 HG22 THR 7 1HG2 THR 7 9.166 3.442 2.341 49 HG23 THR 7 2HG2 THR 7 8.562 4.542 1.101 50 H GLY 8 H GLY 8 6.637 0.334 -0.302 51 HA2 GLY 8 2HA GLY 8 3.842 0.247 -1.138 52 HA3 GLY 8 1HA GLY 8 4.868 -1.153 -0.804 53 H ALA 9 H ALA 9 5.543 0.180 1.879 54 HA ALA 9 HA ALA 9 3.480 -1.179 3.425 55 HB1 ALA 9 1HB ALA 9 5.765 0.668 4.194 56 HB2 ALA 9 2HB ALA 9 5.866 -1.087 4.049 57 HB3 ALA 9 3HB ALA 9 4.871 -0.364 5.312 58 H GLU 10 H GLU 10 3.920 2.045 2.229 59 HA GLU 10 HA GLU 10 2.271 3.356 4.264 60 HB2 GLU 10 2HB GLU 10 3.448 4.121 1.581 61 HB3 GLU 10 1HB GLU 10 2.475 5.240 2.538 62 HG2 GLU 10 2HG GLU 10 4.545 3.912 4.127 63 HG3 GLU 10 1HG GLU 10 5.212 4.857 2.791 64 H CYS 11 H CYS 11 1.817 2.363 0.851 65 HA CYS 11 HA CYS 11 -0.992 3.208 0.851 66 HB2 CYS 11 2HB CYS 11 0.473 1.449 -1.134 67 HB3 CYS 11 1HB CYS 11 -0.905 2.505 -1.441 68 H TYR 12 H TYR 12 0.763 0.360 1.730 69 HA TYR 12 HA TYR 12 -0.889 -1.797 1.189 70 HB2 TYR 12 2HB TYR 12 0.924 -2.427 2.423 71 HB3 TYR 12 1HB TYR 12 0.950 -0.926 3.336 72 HD1 TYR 12 1HD TYR 12 -0.546 -4.326 3.126 73 HD2 TYR 12 2HD TYR 12 -0.234 -0.698 5.417 74 HE1 TYR 12 1HE TYR 12 -1.625 -5.445 5.062 75 HE2 TYR 12 2HE TYR 12 -1.308 -1.819 7.345 76 HH TYR 12 HH TYR 12 -2.686 -5.035 7.068 77 H SER 13 H SER 13 -1.431 0.812 3.455 78 HA SER 13 HA SER 13 -3.623 -0.340 4.908 79 HB2 SER 13 2HB SER 13 -2.057 1.737 5.292 80 HB3 SER 13 1HB SER 13 -3.304 2.603 4.399 81 HG SER 13 HG SER 13 -3.314 1.929 6.937 82 H TRP 14 H TRP 14 -3.539 1.633 1.925 83 HA TRP 14 HA TRP 14 -6.410 2.026 1.817 84 HB2 TRP 14 2HB TRP 14 -4.878 3.509 0.679 85 HB3 TRP 14 1HB TRP 14 -4.176 2.163 -0.227 86 HD1 TRP 14 HD TRP 14 -7.304 4.344 -0.017 87 HE1 TRP 14 1HE TRP 14 -8.672 4.046 -2.181 88 HE3 TRP 14 3HE TRP 14 -4.688 0.538 -2.197 89 HZ2 TRP 14 2HZ TRP 14 -8.658 2.411 -4.530 90 HZ3 TRP 14 3HZ TRP 14 -5.385 -0.369 -4.395 91 HH2 TRP 14 HH TRP 14 -7.365 0.563 -5.563 92 H CYS 15 H CYS 15 -4.324 0.013 -0.303 93 HA CYS 15 HA CYS 15 -6.212 -1.414 -1.715 94 HB2 CYS 15 2HB CYS 15 -4.499 -3.365 -1.404 95 HB3 CYS 15 1HB CYS 15 -3.936 -1.866 -2.139 96 H ILE 16 H ILE 16 -5.170 -2.141 1.623 97 HA ILE 16 HA ILE 16 -7.033 -4.384 1.887 98 HB ILE 16 HB ILE 16 -5.391 -2.820 3.901 99 HG12 ILE 16 2HG1 ILE 16 -4.808 -5.042 1.976 100 HG13 ILE 16 1HG1 ILE 16 -3.780 -3.704 2.478 101 HG21 ILE 16 1HG2 ILE 16 -6.447 -5.649 4.119 102 HG22 ILE 16 2HG2 ILE 16 -7.333 -4.260 4.748 103 HG23 ILE 16 3HG2 ILE 16 -5.740 -4.655 5.393 104 HD11 ILE 16 3HD1 ILE 16 -3.603 -4.801 4.745 105 HD12 ILE 16 1HD1 ILE 16 -2.869 -5.726 3.435 106 HD13 ILE 16 2HD1 ILE 16 -4.448 -6.192 4.067 107 H LYS 17 H LYS 17 -7.230 -0.965 2.233 108 HA LYS 17 HA LYS 17 -9.054 -0.542 4.312 109 HB2 LYS 17 2HB LYS 17 -7.950 1.192 2.970 110 HB3 LYS 17 1HB LYS 17 -8.897 0.720 1.560 111 HG2 LYS 17 2HG LYS 17 -10.767 1.768 2.298 112 HG3 LYS 17 1HG LYS 17 -10.484 1.313 3.978 113 HD2 LYS 17 2HD LYS 17 -8.403 3.042 3.510 114 HD3 LYS 17 1HD LYS 17 -9.688 3.755 2.537 115 HE2 LYS 17 2HE LYS 17 -9.977 4.738 4.686 116 HE3 LYS 17 1HE LYS 17 -11.173 3.427 4.659 117 HZ1 LYS 17 3HZ LYS 17 -8.438 3.331 5.813 118 HZ2 LYS 17 1HZ LYS 17 -9.420 1.964 5.604 119 HZ3 LYS 17 2HZ LYS 17 -9.910 3.207 6.654 120 H GLN 18 H GLN 18 -9.614 -2.299 1.355 121 HA GLN 18 HA GLN 18 -12.531 -1.876 1.417 122 HB2 GLN 18 2HB GLN 18 -10.832 -3.824 -0.174 123 HB3 GLN 18 1HB GLN 18 -12.470 -3.293 -0.559 124 HG2 GLN 18 2HG GLN 18 -10.294 -1.249 -0.246 125 HG3 GLN 18 1HG GLN 18 -10.421 -2.156 -1.755 126 HE21 GLN 18 1HE2 GLN 18 -11.044 0.774 -1.182 127 HE22 GLN 18 2HE2 GLN 18 -12.645 0.981 -1.708 128 H ASP 19 H ASP 19 -10.740 -3.368 3.558 129 HA ASP 19 HA ASP 19 -10.866 -5.376 4.827 130 HB2 ASP 19 2HB ASP 19 -13.118 -5.567 5.741 131 HB3 ASP 19 1HB ASP 19 -12.769 -3.857 5.469 132 H LEU 20 H LEU 20 -10.065 -6.590 2.799 133 HA LEU 20 HA LEU 20 -12.152 -8.583 2.036 134 HB2 LEU 20 2HB LEU 20 -11.325 -8.468 -0.290 135 HB3 LEU 20 1HB LEU 20 -11.921 -6.907 0.258 136 HG LEU 20 HG LEU 20 -8.983 -7.655 0.369 137 HD11 LEU 20 1HD1 LEU 20 -8.950 -7.469 -1.876 138 HD12 LEU 20 2HD1 LEU 20 -9.421 -5.781 -1.675 139 HD13 LEU 20 3HD1 LEU 20 -10.654 -7.019 -1.915 140 HD21 LEU 20 3HD2 LEU 20 -10.620 -5.361 1.143 141 HD22 LEU 20 1HD2 LEU 20 -9.338 -4.911 0.018 142 HD23 LEU 20 2HD2 LEU 20 -8.938 -5.715 1.535 143 H SER 21 H SER 21 -8.773 -7.896 2.727 144 HA SER 21 HA SER 21 -8.146 -10.469 3.664 145 HB2 SER 21 2HB SER 21 -8.471 -11.572 1.667 146 HB3 SER 21 1HB SER 21 -8.130 -10.139 0.703 147 HG SER 21 HG SER 21 -6.451 -11.659 0.532 148 H LYS 22 H LYS 22 -5.860 -10.728 4.112 149 HA LYS 22 HA LYS 22 -4.360 -8.182 4.132 150 HB2 LYS 22 2HB LYS 22 -3.416 -10.899 5.073 151 HB3 LYS 22 1HB LYS 22 -2.991 -9.312 5.716 152 HG2 LYS 22 2HG LYS 22 -5.659 -9.235 6.111 153 HG3 LYS 22 1HG LYS 22 -5.404 -10.978 6.223 154 HD2 LYS 22 2HD LYS 22 -4.451 -10.781 8.255 155 HD3 LYS 22 1HD LYS 22 -3.345 -9.534 7.677 156 HE2 LYS 22 2HE LYS 22 -6.241 -8.869 8.231 157 HE3 LYS 22 1HE LYS 22 -5.036 -8.860 9.535 158 HZ1 LYS 22 3HZ LYS 22 -4.883 -7.365 6.970 159 HZ2 LYS 22 1HZ LYS 22 -3.624 -7.454 8.104 160 HZ3 LYS 22 2HZ LYS 22 -5.086 -6.697 8.520 161 H ASP 23 H ASP 23 -4.267 -11.358 2.606 162 HA ASP 23 HA ASP 23 -1.711 -10.960 1.267 163 HB2 ASP 23 2HB ASP 23 -3.754 -12.985 1.624 164 HB3 ASP 23 1HB ASP 23 -3.325 -12.863 -0.083 165 H TRP 24 H TRP 24 -5.013 -10.092 0.778 166 HA TRP 24 HA TRP 24 -5.317 -9.781 -1.982 167 HB2 TRP 24 2HB TRP 24 -7.194 -9.283 -0.700 168 HB3 TRP 24 1HB TRP 24 -6.252 -8.429 0.523 169 HD1 TRP 24 HD TRP 24 -7.164 -6.027 0.539 170 HE1 TRP 24 1HE TRP 24 -7.595 -4.228 -1.261 171 HE3 TRP 24 3HE TRP 24 -6.213 -8.748 -3.638 172 HZ2 TRP 24 2HZ TRP 24 -7.533 -3.986 -4.122 173 HZ3 TRP 24 3HZ TRP 24 -6.396 -7.731 -5.897 174 HH2 TRP 24 HH TRP 24 -7.057 -5.352 -6.142 175 H CYS 25 H CYS 25 -3.962 -7.406 0.319 176 HA CYS 25 HA CYS 25 -3.087 -5.635 -1.855 177 HB2 CYS 25 2HB CYS 25 -3.926 -4.823 0.331 178 HB3 CYS 25 1HB CYS 25 -2.569 -5.617 1.136 179 H CYS 26 H CYS 26 -1.588 -7.983 0.342 180 HA CYS 26 HA CYS 26 1.110 -7.409 0.186 181 HB2 CYS 26 2HB CYS 26 -0.602 -9.733 0.482 182 HB3 CYS 26 1HB CYS 26 0.894 -10.169 -0.341 183 H ASP 27 H ASP 27 -0.830 -9.012 -2.354 184 HA ASP 27 HA ASP 27 1.462 -9.091 -4.208 185 HB2 ASP 27 2HB ASP 27 -1.479 -9.716 -4.616 186 HB3 ASP 27 1HB ASP 27 -0.139 -10.258 -5.627 187 H PHE 28 H PHE 28 -1.265 -7.030 -3.511 188 HA PHE 28 HA PHE 28 -1.557 -5.714 -6.036 189 HB2 PHE 28 2HB PHE 28 -3.168 -5.632 -4.180 190 HB3 PHE 28 1HB PHE 28 -1.991 -4.774 -3.182 191 HD1 PHE 28 1HD PHE 28 -4.177 -4.536 -6.162 192 HD2 PHE 28 2HD PHE 28 -1.516 -2.433 -3.526 193 HE1 PHE 28 1HE PHE 28 -4.927 -2.377 -7.124 194 HE2 PHE 28 2HE PHE 28 -2.265 -0.275 -4.489 195 HZ PHE 28 HZ PHE 28 -3.971 -0.247 -6.289 196 H VAL 29 H VAL 29 0.349 -4.779 -3.140 197 HA VAL 29 HA VAL 29 1.529 -2.460 -4.437 198 HB VAL 29 HB VAL 29 2.743 -2.288 -2.360 199 HG11 VAL 29 1HG1 VAL 29 0.650 -3.352 -0.846 200 HG12 VAL 29 2HG1 VAL 29 -0.092 -2.974 -2.401 201 HG13 VAL 29 3HG1 VAL 29 0.740 -1.714 -1.491 202 HG21 VAL 29 3HG2 VAL 29 2.934 -4.147 -0.794 203 HG22 VAL 29 1HG2 VAL 29 3.535 -4.665 -2.369 204 HG23 VAL 29 2HG2 VAL 29 1.932 -5.164 -1.828 205 H LYS 30 H LYS 30 2.434 -5.852 -4.100 206 HA LYS 30 HA LYS 30 5.218 -5.557 -4.793 207 HB2 LYS 30 2HB LYS 30 4.780 -7.570 -3.776 208 HB3 LYS 30 1HB LYS 30 3.157 -7.669 -4.451 209 HG2 LYS 30 2HG LYS 30 4.210 -8.217 -6.684 210 HG3 LYS 30 1HG LYS 30 5.763 -8.324 -5.852 211 HD2 LYS 30 2HD LYS 30 4.979 -10.128 -4.463 212 HD3 LYS 30 1HD LYS 30 3.322 -9.913 -5.032 213 HE2 LYS 30 2HE LYS 30 5.190 -10.318 -7.250 214 HE3 LYS 30 1HE LYS 30 5.175 -11.686 -6.120 215 HZ1 LYS 30 3HZ LYS 30 3.392 -11.913 -7.730 216 HZ2 LYS 30 1HZ LYS 30 2.785 -10.385 -7.316 217 HZ3 LYS 30 2HZ LYS 30 2.748 -11.647 -6.179 218 H ASP 31 H ASP 31 2.278 -5.592 -6.676 219 HA ASP 31 HA ASP 31 3.578 -6.333 -9.196 220 HB2 ASP 31 2HB ASP 31 0.872 -5.497 -8.220 221 HB3 ASP 31 1HB ASP 31 1.204 -5.407 -9.950 222 H ILE 32 H ILE 32 3.085 -3.377 -7.422 223 HA ILE 32 HA ILE 32 3.477 -1.709 -9.853 224 HB ILE 32 HB ILE 32 3.093 0.131 -8.151 225 HG12 ILE 32 2HG1 ILE 32 2.320 -2.114 -6.285 226 HG13 ILE 32 1HG1 ILE 32 3.940 -1.416 -6.254 227 HG21 ILE 32 1HG2 ILE 32 0.888 -0.092 -8.587 228 HG22 ILE 32 2HG2 ILE 32 0.784 -1.594 -7.667 229 HG23 ILE 32 3HG2 ILE 32 1.302 -1.626 -9.353 230 HD11 ILE 32 3HD1 ILE 32 2.666 0.872 -6.140 231 HD12 ILE 32 1HD1 ILE 32 2.813 -0.102 -4.676 232 HD13 ILE 32 2HD1 ILE 32 1.309 -0.116 -5.596 233 H ARG 33 H ARG 33 5.687 -3.415 -8.880 234 HA ARG 33 HA ARG 33 8.009 -3.222 -8.490 235 HB2 ARG 33 2HB ARG 33 7.170 -0.499 -9.502 236 HB3 ARG 33 1HB ARG 33 8.857 -0.874 -9.156 237 HG2 ARG 33 2HG ARG 33 8.923 -2.592 -10.800 238 HG3 ARG 33 1HG ARG 33 7.165 -2.626 -10.945 239 HD2 ARG 33 2HD ARG 33 7.554 -0.050 -11.605 240 HD3 ARG 33 1HD ARG 33 9.120 -0.703 -12.128 241 HE ARG 33 HE ARG 33 6.525 -1.338 -13.318 242 HH11 ARG 33 1HH2 ARG 33 9.757 -2.373 -12.674 243 HH12 ARG 33 2HH2 ARG 33 9.806 -3.474 -14.009 244 HH21 ARG 33 1HH1 ARG 33 6.580 -2.772 -15.061 245 HH22 ARG 33 2HH1 ARG 33 8.013 -3.700 -15.358 246 H MET 34 H MET 34 6.684 -3.226 -6.115 247 HA MET 34 HA MET 34 8.122 -1.124 -4.540 248 HB2 MET 34 2HB MET 34 5.258 -2.077 -4.204 249 HB3 MET 34 1HB MET 34 6.071 -0.911 -3.161 250 HG2 MET 34 2HG MET 34 5.658 -0.549 -6.141 251 HG3 MET 34 1HG MET 34 4.646 0.183 -4.894 252 HE1 MET 34 3HE MET 34 6.398 2.700 -3.158 253 HE2 MET 34 1HE MET 34 7.169 1.213 -2.588 254 HE3 MET 34 2HE MET 34 5.455 1.221 -2.994 255 H ASN 35 H ASN 35 7.747 -1.867 -2.037 256 HA ASN 35 HA ASN 35 8.379 -4.802 -1.937 257 HB2 ASN 35 2HB ASN 35 9.888 -4.144 -0.054 258 HB3 ASN 35 1HB ASN 35 10.329 -3.363 -1.573 259 HD21 ASN 35 1HD2 ASN 35 9.272 -2.791 1.692 260 HD22 ASN 35 2HD2 ASN 35 9.152 -1.093 1.573 261 HA PRO 36 HA PRO 36 4.724 -4.452 0.685 262 HB2 PRO 36 2HB PRO 36 4.211 -7.136 0.720 263 HB3 PRO 36 1HB PRO 36 3.725 -6.077 -0.620 264 HG2 PRO 36 2HG PRO 36 6.033 -7.941 -0.424 265 HG3 PRO 36 1HG PRO 36 4.997 -7.568 -1.810 266 HD2 PRO 36 2HD PRO 36 7.507 -6.539 -1.472 267 HD3 PRO 36 1HD PRO 36 6.223 -5.731 -2.397 268 HA PRO 37 HA PRO 37 6.736 -5.545 4.441 269 HB2 PRO 37 2HB PRO 37 4.590 -5.376 6.129 270 HB3 PRO 37 1HB PRO 37 5.397 -3.950 5.449 271 HG2 PRO 37 2HG PRO 37 2.841 -5.230 4.663 272 HG3 PRO 37 1HG PRO 37 3.305 -3.524 4.646 273 HD2 PRO 37 2HD PRO 37 3.219 -5.163 2.422 274 HD3 PRO 37 1HD PRO 37 4.152 -3.654 2.543 275 H ALA 38 H ALA 38 7.088 -7.448 5.621 276 HA ALA 38 HA ALA 38 5.560 -9.831 4.789 277 HB1 ALA 38 1HB ALA 38 7.604 -10.162 6.847 278 HB2 ALA 38 2HB ALA 38 8.192 -9.197 5.493 279 HB3 ALA 38 3HB ALA 38 7.558 -10.818 5.211 280 H ASP 39 H ASP 39 4.444 -7.673 6.686 281 HA ASP 39 HA ASP 39 4.151 -9.163 9.225 282 HB2 ASP 39 2HB ASP 39 3.064 -6.515 8.210 283 HB3 ASP 39 1HB ASP 39 2.938 -7.092 9.873 284 H LYS 40 H LYS 40 2.034 -7.934 6.601 285 HA LYS 40 HA LYS 40 -0.184 -9.628 7.651 286 HB2 LYS 40 2HB LYS 40 -0.249 -7.671 5.348 287 HB3 LYS 40 1HB LYS 40 -1.586 -8.192 6.371 288 HG2 LYS 40 2HG LYS 40 0.718 -6.381 7.109 289 HG3 LYS 40 1HG LYS 40 -1.005 -6.017 7.143 290 HD2 LYS 40 2HD LYS 40 -0.848 -8.232 8.778 291 HD3 LYS 40 1HD LYS 40 0.649 -7.376 9.153 292 HE2 LYS 40 2HE LYS 40 -1.853 -5.744 8.970 293 HE3 LYS 40 1HE LYS 40 -1.627 -6.758 10.409 294 HZ1 LYS 40 3HZ LYS 40 0.806 -5.799 10.188 295 HZ2 LYS 40 1HZ LYS 40 -0.400 -4.965 11.040 296 HZ3 LYS 40 2HZ LYS 40 -0.018 -4.510 9.449 297 H CYS 41 H CYS 41 2.314 -10.477 5.971 298 HA CYS 41 HA CYS 41 0.846 -11.678 3.655 299 HB2 CYS 41 2HB CYS 41 3.348 -10.372 4.010 300 HB3 CYS 41 1HB CYS 41 3.703 -12.060 3.626 301 HA PRO 42 HA PRO 42 1.431 -15.170 6.600 302 HB2 PRO 42 2HB PRO 42 -0.965 -16.361 6.016 303 HB3 PRO 42 1HB PRO 42 -0.796 -15.072 7.225 304 HG2 PRO 42 2HG PRO 42 -1.774 -14.918 4.418 305 HG3 PRO 42 1HG PRO 42 -2.358 -14.080 5.864 306 HD2 PRO 42 2HD PRO 42 -0.766 -12.907 3.985 307 HD3 PRO 42 1HD PRO 42 -0.789 -12.422 5.698 Start of MODEL 4 1 H1 ILE 1 H ILE 1 2.646 12.795 9.494 2 HA ILE 1 HA ILE 1 0.061 13.385 8.111 3 HB ILE 1 HB ILE 1 2.989 13.539 7.405 4 HG12 ILE 1 2HG1 ILE 1 2.263 15.870 6.757 5 HG13 ILE 1 1HG1 ILE 1 0.665 15.486 7.400 6 HG21 ILE 1 1HG2 ILE 1 0.647 13.780 5.492 7 HG22 ILE 1 2HG2 ILE 1 1.813 12.457 5.512 8 HG23 ILE 1 3HG2 ILE 1 2.339 14.088 5.096 9 HD11 ILE 1 3HD1 ILE 1 1.354 15.706 9.546 10 HD12 ILE 1 1HD1 ILE 1 2.751 16.540 8.868 11 HD13 ILE 1 2HD1 ILE 1 2.849 14.820 9.247 12 HA PRO 2 HA PRO 2 0.300 8.919 7.490 13 HB2 PRO 2 2HB PRO 2 -2.371 8.613 6.999 14 HB3 PRO 2 1HB PRO 2 -1.697 8.725 8.639 15 HG2 PRO 2 2HG PRO 2 -3.123 10.770 7.036 16 HG3 PRO 2 1HG PRO 2 -3.126 10.497 8.783 17 HD2 PRO 2 2HD PRO 2 -1.691 12.476 7.483 18 HD3 PRO 2 1HD PRO 2 -1.337 11.861 9.113 19 H TYR 3 H TYR 3 1.434 9.981 5.430 20 HA TYR 3 HA TYR 3 -0.382 9.705 3.066 21 HB2 TYR 3 2HB TYR 3 0.956 11.327 2.023 22 HB3 TYR 3 1HB TYR 3 0.992 11.852 3.708 23 HD1 TYR 3 2HD TYR 3 2.955 11.029 5.172 24 HD2 TYR 3 1HD TYR 3 2.952 10.823 0.882 25 HE1 TYR 3 2HE TYR 3 5.425 10.818 5.180 26 HE2 TYR 3 1HE TYR 3 5.423 10.616 0.891 27 HH TYR 3 HH TYR 3 7.316 11.246 2.447 28 H CYS 4 H CYS 4 0.466 8.517 1.220 29 HA CYS 4 HA CYS 4 2.012 6.161 1.983 30 HB2 CYS 4 2HB CYS 4 0.280 7.117 -0.183 31 HB3 CYS 4 1HB CYS 4 1.627 6.140 -0.766 32 H GLY 5 H GLY 5 4.090 7.039 2.445 33 HA2 GLY 5 2HA GLY 5 5.568 8.769 0.718 34 HA3 GLY 5 1HA GLY 5 6.280 7.716 1.944 35 H GLN 6 H GLN 6 4.780 7.483 -1.297 36 HA GLN 6 HA GLN 6 5.220 5.901 -3.028 37 HB2 GLN 6 2HB GLN 6 7.435 7.599 -2.260 38 HB3 GLN 6 1HB GLN 6 8.037 6.089 -2.952 39 HG2 GLN 6 2HG GLN 6 5.956 6.715 -4.646 40 HG3 GLN 6 1HG GLN 6 6.607 8.307 -4.252 41 HE21 GLN 6 1HE2 GLN 6 7.293 8.212 -6.649 42 HE22 GLN 6 2HE2 GLN 6 8.781 7.459 -7.007 43 H THR 7 H THR 7 4.838 4.490 -0.597 44 HA THR 7 HA THR 7 6.837 2.283 -0.928 45 HB THR 7 HB THR 7 6.388 2.122 1.685 46 HG1 THR 7 1HG THR 7 6.366 4.598 2.173 47 HG21 THR 7 3HG2 THR 7 8.221 4.078 1.827 48 HG22 THR 7 1HG2 THR 7 8.251 3.806 0.085 49 HG23 THR 7 2HG2 THR 7 8.603 2.477 1.190 50 H GLY 8 H GLY 8 5.947 0.196 -0.711 51 HA2 GLY 8 2HA GLY 8 3.123 -0.079 -1.211 52 HA3 GLY 8 1HA GLY 8 4.238 -1.408 -0.877 53 H ALA 9 H ALA 9 5.103 -1.055 1.619 54 HA ALA 9 HA ALA 9 3.071 -1.928 3.327 55 HB1 ALA 9 1HB ALA 9 4.880 -2.039 4.676 56 HB2 ALA 9 2HB ALA 9 4.990 -0.281 4.734 57 HB3 ALA 9 3HB ALA 9 5.795 -1.171 3.442 58 H GLU 10 H GLU 10 3.914 1.375 2.426 59 HA GLU 10 HA GLU 10 2.470 2.770 4.472 60 HB2 GLU 10 2HB GLU 10 3.743 3.262 1.864 61 HB3 GLU 10 1HB GLU 10 2.414 4.362 2.221 62 HG2 GLU 10 2HG GLU 10 4.834 3.828 3.967 63 HG3 GLU 10 1HG GLU 10 4.479 5.314 3.081 64 H CYS 11 H CYS 11 1.526 1.990 1.101 65 HA CYS 11 HA CYS 11 -1.222 2.881 1.515 66 HB2 CYS 11 2HB CYS 11 0.003 1.187 -0.685 67 HB3 CYS 11 1HB CYS 11 -1.476 2.141 -0.791 68 H TYR 12 H TYR 12 0.511 -0.143 1.824 69 HA TYR 12 HA TYR 12 -1.317 -2.168 1.516 70 HB2 TYR 12 2HB TYR 12 0.838 -2.660 2.338 71 HB3 TYR 12 1HB TYR 12 0.689 -1.522 3.675 72 HD1 TYR 12 2HD TYR 12 -1.784 -4.087 2.535 73 HD2 TYR 12 1HD TYR 12 0.992 -2.876 5.583 74 HE1 TYR 12 2HE TYR 12 -2.614 -5.897 4.014 75 HE2 TYR 12 1HE TYR 12 0.160 -4.684 7.061 76 HH TYR 12 HH TYR 12 -1.721 -6.089 7.359 77 H SER 13 H SER 13 -1.368 0.301 4.037 78 HA SER 13 HA SER 13 -3.493 -0.958 5.592 79 HB2 SER 13 2HB SER 13 -3.457 1.603 6.414 80 HB3 SER 13 1HB SER 13 -2.208 0.454 6.885 81 HG SER 13 HG SER 13 -1.942 2.692 5.500 82 H TRP 14 H TRP 14 -3.349 1.376 2.944 83 HA TRP 14 HA TRP 14 -6.139 2.215 3.233 84 HB2 TRP 14 2HB TRP 14 -4.485 3.724 2.313 85 HB3 TRP 14 1HB TRP 14 -4.016 2.536 1.090 86 HD1 TRP 14 HD TRP 14 -7.314 4.272 2.178 87 HE1 TRP 14 1HE TRP 14 -8.629 4.884 0.046 88 HE3 TRP 14 3HE TRP 14 -4.152 2.413 -1.372 89 HZ2 TRP 14 2HZ TRP 14 -8.373 4.617 -2.793 90 HZ3 TRP 14 3HZ TRP 14 -4.708 2.602 -3.778 91 HH2 TRP 14 HH TRP 14 -6.813 3.700 -4.494 92 H CYS 15 H CYS 15 -4.397 0.422 0.661 93 HA CYS 15 HA CYS 15 -6.460 -0.421 -0.956 94 HB2 CYS 15 2HB CYS 15 -5.047 -2.504 -1.231 95 HB3 CYS 15 1HB CYS 15 -4.132 -0.997 -1.322 96 H ILE 16 H ILE 16 -5.658 -1.710 2.253 97 HA ILE 16 HA ILE 16 -7.430 -3.966 2.208 98 HB ILE 16 HB ILE 16 -6.370 -2.246 4.472 99 HG12 ILE 16 2HG1 ILE 16 -4.728 -3.301 2.809 100 HG13 ILE 16 1HG1 ILE 16 -4.494 -3.729 4.505 101 HG21 ILE 16 1HG2 ILE 16 -7.745 -3.553 5.718 102 HG22 ILE 16 2HG2 ILE 16 -6.595 -4.846 5.375 103 HG23 ILE 16 3HG2 ILE 16 -8.041 -4.665 4.381 104 HD11 ILE 16 3HD1 ILE 16 -4.423 -5.673 2.857 105 HD12 ILE 16 1HD1 ILE 16 -6.148 -5.409 2.606 106 HD13 ILE 16 2HD1 ILE 16 -5.547 -5.859 4.202 107 H LYS 17 H LYS 17 -8.038 -0.577 2.497 108 HA LYS 17 HA LYS 17 -10.361 -0.497 4.115 109 HB2 LYS 17 2HB LYS 17 -9.268 1.061 1.788 110 HB3 LYS 17 1HB LYS 17 -10.866 1.461 2.420 111 HG2 LYS 17 2HG LYS 17 -9.149 1.127 4.659 112 HG3 LYS 17 1HG LYS 17 -8.299 2.154 3.502 113 HD2 LYS 17 2HD LYS 17 -10.715 3.294 3.329 114 HD3 LYS 17 1HD LYS 17 -10.848 2.658 4.969 115 HE2 LYS 17 2HE LYS 17 -8.523 3.732 5.375 116 HE3 LYS 17 1HE LYS 17 -8.847 4.652 3.891 117 HZ1 LYS 17 3HZ LYS 17 -9.990 4.979 6.477 118 HZ2 LYS 17 1HZ LYS 17 -11.203 4.688 5.329 119 HZ3 LYS 17 2HZ LYS 17 -10.123 5.981 5.113 120 H GLN 18 H GLN 18 -9.972 -1.386 0.696 121 HA GLN 18 HA GLN 18 -12.681 -1.443 -0.108 122 HB2 GLN 18 2HB GLN 18 -10.443 -3.375 -0.808 123 HB3 GLN 18 1HB GLN 18 -11.862 -3.025 -1.795 124 HG2 GLN 18 2HG GLN 18 -9.565 -1.173 -1.119 125 HG3 GLN 18 1HG GLN 18 -10.110 -1.695 -2.716 126 HE21 GLN 18 1HE2 GLN 18 -9.901 1.108 -1.631 127 HE22 GLN 18 2HE2 GLN 18 -11.462 1.762 -1.774 128 H ASP 19 H ASP 19 -10.910 -3.543 2.043 129 HA ASP 19 HA ASP 19 -11.710 -5.231 3.495 130 HB2 ASP 19 2HB ASP 19 -13.862 -3.553 2.850 131 HB3 ASP 19 1HB ASP 19 -14.479 -5.191 2.605 132 H LEU 20 H LEU 20 -10.594 -6.110 1.071 133 HA LEU 20 HA LEU 20 -12.494 -8.141 -0.007 134 HB2 LEU 20 2HB LEU 20 -9.643 -7.617 -0.867 135 HB3 LEU 20 1HB LEU 20 -10.953 -8.311 -1.817 136 HG LEU 20 HG LEU 20 -10.573 -5.435 -0.978 137 HD11 LEU 20 1HD1 LEU 20 -11.143 -5.221 -3.497 138 HD12 LEU 20 2HD1 LEU 20 -10.835 -6.956 -3.568 139 HD13 LEU 20 3HD1 LEU 20 -9.555 -5.852 -3.063 140 HD21 LEU 20 3HD2 LEU 20 -12.923 -6.154 -0.493 141 HD22 LEU 20 1HD2 LEU 20 -13.074 -6.682 -2.168 142 HD23 LEU 20 2HD2 LEU 20 -12.834 -4.975 -1.798 143 H SER 21 H SER 21 -9.139 -7.986 1.235 144 HA SER 21 HA SER 21 -9.346 -10.130 3.077 145 HB2 SER 21 2HB SER 21 -9.571 -10.952 0.404 146 HB3 SER 21 1HB SER 21 -7.912 -11.343 0.842 147 HG SER 21 HG SER 21 -8.743 -12.447 2.661 148 H LYS 22 H LYS 22 -7.252 -10.592 4.029 149 HA LYS 22 HA LYS 22 -5.323 -8.506 3.926 150 HB2 LYS 22 2HB LYS 22 -5.868 -10.621 5.521 151 HB3 LYS 22 1HB LYS 22 -4.470 -11.265 4.660 152 HG2 LYS 22 2HG LYS 22 -3.208 -9.189 5.246 153 HG3 LYS 22 1HG LYS 22 -4.587 -8.665 6.211 154 HD2 LYS 22 2HD LYS 22 -3.711 -11.412 6.795 155 HD3 LYS 22 1HD LYS 22 -2.498 -10.184 7.162 156 HE2 LYS 22 2HE LYS 22 -3.655 -9.982 9.133 157 HE3 LYS 22 1HE LYS 22 -4.785 -9.018 8.162 158 HZ1 LYS 22 3HZ LYS 22 -6.131 -10.681 9.032 159 HZ2 LYS 22 1HZ LYS 22 -4.942 -11.880 8.871 160 HZ3 LYS 22 2HZ LYS 22 -5.741 -11.287 7.495 161 H ASP 23 H ASP 23 -5.650 -11.437 2.018 162 HA ASP 23 HA ASP 23 -2.963 -11.201 0.834 163 HB2 ASP 23 2HB ASP 23 -4.306 -13.331 1.363 164 HB3 ASP 23 1HB ASP 23 -5.296 -12.924 -0.038 165 H TRP 24 H TRP 24 -6.059 -9.846 0.333 166 HA TRP 24 HA TRP 24 -6.095 -9.603 -2.527 167 HB2 TRP 24 2HB TRP 24 -8.123 -8.788 -1.949 168 HB3 TRP 24 1HB TRP 24 -7.651 -8.902 -0.258 169 HD1 TRP 24 HD TRP 24 -7.697 -6.702 1.017 170 HE1 TRP 24 1HE TRP 24 -7.651 -4.200 0.388 171 HE3 TRP 24 3HE TRP 24 -7.043 -7.069 -4.027 172 HZ2 TRP 24 2HZ TRP 24 -7.369 -2.571 -1.946 173 HZ3 TRP 24 3HZ TRP 24 -6.888 -5.033 -5.433 174 HH2 TRP 24 HH TRP 24 -7.050 -2.785 -4.399 175 H CYS 25 H CYS 25 -4.887 -7.425 0.040 176 HA CYS 25 HA CYS 25 -3.833 -5.538 -1.971 177 HB2 CYS 25 2HB CYS 25 -4.831 -4.764 0.138 178 HB3 CYS 25 1HB CYS 25 -3.637 -5.688 1.055 179 H CYS 26 H CYS 26 -2.616 -8.056 0.200 180 HA CYS 26 HA CYS 26 0.114 -7.604 0.296 181 HB2 CYS 26 2HB CYS 26 -1.688 -9.957 0.112 182 HB3 CYS 26 1HB CYS 26 0.013 -10.279 -0.223 183 H ASP 27 H ASP 27 -1.767 -8.790 -2.477 184 HA ASP 27 HA ASP 27 0.626 -9.069 -4.171 185 HB2 ASP 27 2HB ASP 27 -1.571 -10.455 -4.144 186 HB3 ASP 27 1HB ASP 27 -2.272 -9.097 -5.026 187 H PHE 28 H PHE 28 -1.812 -6.679 -3.445 188 HA PHE 28 HA PHE 28 -1.818 -5.086 -5.773 189 HB2 PHE 28 2HB PHE 28 -3.304 -4.783 -3.852 190 HB3 PHE 28 1HB PHE 28 -1.932 -4.329 -2.836 191 HD1 PHE 28 1HD PHE 28 -3.147 -3.391 -6.270 192 HD2 PHE 28 2HD PHE 28 -1.822 -2.044 -2.412 193 HE1 PHE 28 1HE PHE 28 -3.368 -1.035 -7.015 194 HE2 PHE 28 2HE PHE 28 -2.044 0.310 -3.157 195 HZ PHE 28 HZ PHE 28 -2.817 0.814 -5.459 196 H VAL 29 H VAL 29 0.306 -4.661 -2.892 197 HA VAL 29 HA VAL 29 1.917 -2.632 -4.196 198 HB VAL 29 HB VAL 29 3.089 -2.605 -2.149 199 HG11 VAL 29 1HG1 VAL 29 0.819 -3.867 -0.815 200 HG12 VAL 29 2HG1 VAL 29 0.312 -2.776 -2.106 201 HG13 VAL 29 3HG1 VAL 29 1.333 -2.179 -0.798 202 HG21 VAL 29 3HG2 VAL 29 4.020 -4.720 -1.866 203 HG22 VAL 29 1HG2 VAL 29 2.479 -5.544 -2.121 204 HG23 VAL 29 2HG2 VAL 29 2.797 -4.720 -0.594 205 H LYS 30 H LYS 30 2.096 -6.132 -3.954 206 HA LYS 30 HA LYS 30 4.854 -6.439 -4.716 207 HB2 LYS 30 2HB LYS 30 3.613 -8.207 -3.645 208 HB3 LYS 30 1HB LYS 30 2.385 -8.184 -4.911 209 HG2 LYS 30 2HG LYS 30 4.872 -8.540 -6.215 210 HG3 LYS 30 1HG LYS 30 4.861 -9.647 -4.843 211 HD2 LYS 30 2HD LYS 30 3.242 -10.946 -5.753 212 HD3 LYS 30 1HD LYS 30 2.307 -9.549 -6.292 213 HE2 LYS 30 2HE LYS 30 2.972 -10.245 -8.379 214 HE3 LYS 30 1HE LYS 30 4.479 -9.404 -7.961 215 HZ1 LYS 30 3HZ LYS 30 5.054 -11.628 -8.537 216 HZ2 LYS 30 1HZ LYS 30 3.846 -12.274 -7.537 217 HZ3 LYS 30 2HZ LYS 30 5.193 -11.500 -6.848 218 H ASP 31 H ASP 31 1.920 -5.829 -6.540 219 HA ASP 31 HA ASP 31 2.956 -6.690 -9.118 220 HB2 ASP 31 2HB ASP 31 0.522 -6.278 -8.154 221 HB3 ASP 31 1HB ASP 31 0.790 -4.642 -8.759 222 H ILE 32 H ILE 32 2.823 -3.605 -7.368 223 HA ILE 32 HA ILE 32 3.860 -2.055 -9.627 224 HB ILE 32 HB ILE 32 3.938 -0.272 -7.841 225 HG12 ILE 32 2HG1 ILE 32 2.668 -2.360 -6.057 226 HG13 ILE 32 1HG1 ILE 32 4.401 -2.031 -6.014 227 HG21 ILE 32 1HG2 ILE 32 1.865 -1.028 -9.218 228 HG22 ILE 32 2HG2 ILE 32 1.599 -0.010 -7.803 229 HG23 ILE 32 3HG2 ILE 32 1.314 -1.747 -7.706 230 HD11 ILE 32 3HD1 ILE 32 2.213 0.026 -5.594 231 HD12 ILE 32 1HD1 ILE 32 3.947 0.338 -5.522 232 HD13 ILE 32 2HD1 ILE 32 3.188 -0.702 -4.317 233 H ARG 33 H ARG 33 5.319 -4.337 -7.827 234 HA ARG 33 HA ARG 33 7.572 -4.813 -7.316 235 HB2 ARG 33 2HB ARG 33 7.546 -2.784 -9.504 236 HB3 ARG 33 1HB ARG 33 9.096 -3.124 -8.734 237 HG2 ARG 33 2HG ARG 33 7.416 -5.471 -9.468 238 HG3 ARG 33 1HG ARG 33 8.176 -4.586 -10.792 239 HD2 ARG 33 2HD ARG 33 10.318 -4.737 -9.210 240 HD3 ARG 33 1HD ARG 33 9.459 -6.164 -8.595 241 HE ARG 33 HE ARG 33 10.569 -5.865 -11.290 242 HH11 ARG 33 1HH2 ARG 33 8.225 -7.387 -9.255 243 HH12 ARG 33 2HH2 ARG 33 8.036 -8.764 -10.287 244 HH21 ARG 33 1HH1 ARG 33 10.325 -7.655 -12.642 245 HH22 ARG 33 2HH1 ARG 33 9.221 -8.915 -12.202 246 H MET 34 H MET 34 6.273 -3.209 -5.403 247 HA MET 34 HA MET 34 8.153 -0.997 -4.756 248 HB2 MET 34 2HB MET 34 5.370 -1.726 -4.244 249 HB3 MET 34 1HB MET 34 6.200 -1.216 -2.772 250 HG2 MET 34 2HG MET 34 5.134 0.675 -4.065 251 HG3 MET 34 1HG MET 34 6.867 0.873 -3.783 252 HE1 MET 34 3HE MET 34 6.280 2.745 -6.515 253 HE2 MET 34 1HE MET 34 7.918 2.120 -6.750 254 HE3 MET 34 2HE MET 34 7.298 2.391 -5.123 255 H ASN 35 H ASN 35 8.144 -1.043 -2.013 256 HA ASN 35 HA ASN 35 9.878 -3.365 -1.438 257 HB2 ASN 35 2HB ASN 35 9.531 -0.617 -0.608 258 HB3 ASN 35 1HB ASN 35 9.557 -1.669 0.808 259 HD21 ASN 35 1HD2 ASN 35 11.568 -0.017 -1.353 260 HD22 ASN 35 2HD2 ASN 35 13.010 -0.887 -1.072 261 HA PRO 36 HA PRO 36 6.233 -5.185 0.487 262 HB2 PRO 36 2HB PRO 36 7.199 -7.729 0.495 263 HB3 PRO 36 1HB PRO 36 6.468 -6.985 -0.943 264 HG2 PRO 36 2HG PRO 36 9.314 -7.490 -0.314 265 HG3 PRO 36 1HG PRO 36 8.490 -7.450 -1.878 266 HD2 PRO 36 2HD PRO 36 10.077 -5.420 -0.824 267 HD3 PRO 36 1HD PRO 36 8.926 -5.252 -2.163 268 HA PRO 37 HA PRO 37 8.242 -5.205 4.467 269 HB2 PRO 37 2HB PRO 37 5.948 -5.256 5.962 270 HB3 PRO 37 1HB PRO 37 6.564 -3.779 5.197 271 HG2 PRO 37 2HG PRO 37 4.353 -5.567 4.348 272 HG3 PRO 37 1HG PRO 37 4.505 -3.811 4.204 273 HD2 PRO 37 2HD PRO 37 4.914 -5.595 2.145 274 HD3 PRO 37 1HD PRO 37 5.580 -3.948 2.205 275 H ALA 38 H ALA 38 9.082 -7.096 5.284 276 HA ALA 38 HA ALA 38 7.868 -9.679 4.793 277 HB1 ALA 38 1HB ALA 38 9.804 -10.458 6.108 278 HB2 ALA 38 2HB ALA 38 10.094 -8.812 6.671 279 HB3 ALA 38 3HB ALA 38 10.303 -9.212 4.965 280 H ASP 39 H ASP 39 7.215 -7.296 7.107 281 HA ASP 39 HA ASP 39 6.197 -9.319 9.069 282 HB2 ASP 39 2HB ASP 39 6.127 -7.187 10.534 283 HB3 ASP 39 1HB ASP 39 7.719 -7.810 10.103 284 H LYS 40 H LYS 40 4.642 -9.075 6.819 285 HA LYS 40 HA LYS 40 2.196 -7.805 7.899 286 HB2 LYS 40 2HB LYS 40 2.959 -5.931 6.755 287 HB3 LYS 40 1HB LYS 40 3.819 -6.889 5.553 288 HG2 LYS 40 2HG LYS 40 0.852 -7.152 5.612 289 HG3 LYS 40 1HG LYS 40 1.512 -5.637 4.991 290 HD2 LYS 40 2HD LYS 40 2.864 -8.075 4.022 291 HD3 LYS 40 1HD LYS 40 1.198 -7.885 3.478 292 HE2 LYS 40 2HE LYS 40 2.758 -5.389 3.332 293 HE3 LYS 40 1HE LYS 40 3.382 -6.679 2.287 294 HZ1 LYS 40 3HZ LYS 40 0.820 -5.305 2.196 295 HZ2 LYS 40 1HZ LYS 40 0.761 -6.981 1.938 296 HZ3 LYS 40 2HZ LYS 40 1.722 -6.002 0.937 297 H CYS 41 H CYS 41 3.750 -9.729 5.328 298 HA CYS 41 HA CYS 41 1.145 -11.188 5.002 299 HB2 CYS 41 2HB CYS 41 2.288 -9.581 3.149 300 HB3 CYS 41 1HB CYS 41 3.105 -11.098 2.766 301 HA PRO 42 HA PRO 42 3.571 -14.710 6.085 302 HB2 PRO 42 2HB PRO 42 1.849 -16.653 5.210 303 HB3 PRO 42 1HB PRO 42 1.574 -15.715 6.693 304 HG2 PRO 42 2HG PRO 42 0.361 -15.391 3.996 305 HG3 PRO 42 1HG PRO 42 -0.376 -15.208 5.596 306 HD2 PRO 42 2HD PRO 42 0.409 -13.106 4.037 307 HD3 PRO 42 1HD PRO 42 0.323 -13.042 5.812 Start of MODEL 5 1 H1 ILE 1 H ILE 1 -0.391 10.218 9.400 2 HA ILE 1 HA ILE 1 -1.914 7.880 9.019 3 HB ILE 1 HB ILE 1 -2.513 10.336 8.820 4 HG12 ILE 1 2HG1 ILE 1 -3.892 9.857 6.609 5 HG13 ILE 1 1HG1 ILE 1 -3.318 8.213 6.875 6 HG21 ILE 1 1HG2 ILE 1 -0.458 10.406 7.035 7 HG22 ILE 1 2HG2 ILE 1 -1.746 11.610 7.091 8 HG23 ILE 1 3HG2 ILE 1 -1.835 10.275 5.942 9 HD11 ILE 1 3HD1 ILE 1 -4.370 8.075 8.997 10 HD12 ILE 1 1HD1 ILE 1 -5.565 8.867 7.969 11 HD13 ILE 1 2HD1 ILE 1 -4.594 9.822 9.090 12 HA PRO 2 HA PRO 2 0.387 6.011 5.723 13 HB2 PRO 2 2HB PRO 2 -1.304 3.902 5.320 14 HB3 PRO 2 1HB PRO 2 -0.204 4.007 6.710 15 HG2 PRO 2 2HG PRO 2 -3.120 4.362 6.595 16 HG3 PRO 2 1HG PRO 2 -2.089 3.887 7.950 17 HD2 PRO 2 2HD PRO 2 -3.219 6.440 7.468 18 HD3 PRO 2 1HD PRO 2 -2.044 6.005 8.729 19 H TYR 3 H TYR 3 0.344 6.574 3.570 20 HA TYR 3 HA TYR 3 -2.231 6.554 2.096 21 HB2 TYR 3 2HB TYR 3 -2.079 8.875 1.513 22 HB3 TYR 3 1HB TYR 3 -1.813 8.794 3.258 23 HD1 TYR 3 2HD TYR 3 0.575 8.789 4.136 24 HD2 TYR 3 1HD TYR 3 -0.408 9.723 0.061 25 HE1 TYR 3 2HE TYR 3 2.790 9.868 3.849 26 HE2 TYR 3 1HE TYR 3 1.805 10.803 -0.226 27 HH TYR 3 HH TYR 3 3.970 11.306 2.496 28 H CYS 4 H CYS 4 0.299 5.003 1.957 29 HA CYS 4 HA CYS 4 1.690 4.148 0.245 30 HB2 CYS 4 2HB CYS 4 0.086 5.971 -1.565 31 HB3 CYS 4 1HB CYS 4 0.845 4.435 -1.978 32 H GLY 5 H GLY 5 3.676 5.124 0.815 33 HA2 GLY 5 2HA GLY 5 4.203 7.840 -0.320 34 HA3 GLY 5 1HA GLY 5 5.101 7.125 1.026 35 H GLN 6 H GLN 6 6.680 5.506 0.566 36 HA GLN 6 HA GLN 6 7.328 5.123 -2.336 37 HB2 GLN 6 2HB GLN 6 8.636 6.824 -0.602 38 HB3 GLN 6 1HB GLN 6 9.602 5.350 -0.468 39 HG2 GLN 6 2HG GLN 6 10.379 5.516 -2.604 40 HG3 GLN 6 1HG GLN 6 8.828 6.079 -3.227 41 HE21 GLN 6 1HE2 GLN 6 9.538 7.972 -4.331 42 HE22 GLN 6 2HE2 GLN 6 10.292 9.283 -3.541 43 H THR 7 H THR 7 6.036 3.350 -0.297 44 HA THR 7 HA THR 7 7.788 1.006 -0.692 45 HB THR 7 HB THR 7 7.636 0.562 1.830 46 HG1 THR 7 1HG THR 7 6.324 1.935 2.734 47 HG21 THR 7 3HG2 THR 7 9.148 3.096 1.247 48 HG22 THR 7 1HG2 THR 7 9.608 1.585 0.463 49 HG23 THR 7 2HG2 THR 7 9.642 1.712 2.222 50 H GLY 8 H GLY 8 6.618 -1.010 0.192 51 HA2 GLY 8 2HA GLY 8 3.804 -0.871 -0.628 52 HA3 GLY 8 1HA GLY 8 4.685 -2.336 -0.180 53 H ALA 9 H ALA 9 5.548 -0.654 2.314 54 HA ALA 9 HA ALA 9 3.526 -1.750 4.086 55 HB1 ALA 9 1HB ALA 9 6.074 -0.213 4.235 56 HB2 ALA 9 2HB ALA 9 5.599 -1.682 5.090 57 HB3 ALA 9 3HB ALA 9 5.010 -0.113 5.638 58 H GLU 10 H GLU 10 4.219 1.462 2.766 59 HA GLU 10 HA GLU 10 2.440 2.941 4.484 60 HB2 GLU 10 2HB GLU 10 3.876 3.295 1.886 61 HB3 GLU 10 1HB GLU 10 2.590 4.440 2.267 62 HG2 GLU 10 2HG GLU 10 4.930 3.785 4.084 63 HG3 GLU 10 1HG GLU 10 4.793 5.231 3.078 64 H CYS 11 H CYS 11 2.048 1.710 1.145 65 HA CYS 11 HA CYS 11 -0.779 2.427 1.044 66 HB2 CYS 11 2HB CYS 11 1.232 1.917 -0.749 67 HB3 CYS 11 1HB CYS 11 0.312 0.414 -0.827 68 H TYR 12 H TYR 12 1.079 -0.382 1.982 69 HA TYR 12 HA TYR 12 -0.539 -2.580 1.733 70 HB2 TYR 12 2HB TYR 12 1.469 -2.817 2.901 71 HB3 TYR 12 1HB TYR 12 1.138 -1.448 3.952 72 HD1 TYR 12 2HD TYR 12 -1.205 -4.251 3.174 73 HD2 TYR 12 1HD TYR 12 1.398 -2.457 6.087 74 HE1 TYR 12 2HE TYR 12 -2.085 -5.782 4.914 75 HE2 TYR 12 1HE TYR 12 0.515 -3.991 7.821 76 HH TYR 12 HH TYR 12 -1.178 -5.437 8.303 77 H SER 13 H SER 13 -1.135 0.218 3.750 78 HA SER 13 HA SER 13 -3.377 -0.964 5.213 79 HB2 SER 13 2HB SER 13 -3.575 1.690 5.626 80 HB3 SER 13 1HB SER 13 -2.363 0.702 6.435 81 HG SER 13 HG SER 13 -2.111 2.429 4.229 82 H TRP 14 H TRP 14 -3.183 1.728 2.841 83 HA TRP 14 HA TRP 14 -5.924 2.154 2.442 84 HB2 TRP 14 2HB TRP 14 -4.243 3.608 1.527 85 HB3 TRP 14 1HB TRP 14 -3.541 2.291 0.580 86 HD1 TRP 14 HD TRP 14 -6.507 4.678 0.678 87 HE1 TRP 14 1HE TRP 14 -7.707 4.617 -1.603 88 HE3 TRP 14 3HE TRP 14 -4.014 0.804 -1.528 89 HZ2 TRP 14 2HZ TRP 14 -7.623 3.123 -4.041 90 HZ3 TRP 14 3HZ TRP 14 -4.594 0.083 -3.828 91 HH2 TRP 14 HH TRP 14 -6.393 1.237 -5.086 92 H CYS 15 H CYS 15 -3.876 0.186 0.263 93 HA CYS 15 HA CYS 15 -5.710 -0.923 -1.443 94 HB2 CYS 15 2HB CYS 15 -4.207 -2.991 -1.280 95 HB3 CYS 15 1HB CYS 15 -3.376 -1.461 -1.561 96 H ILE 16 H ILE 16 -5.165 -2.000 1.909 97 HA ILE 16 HA ILE 16 -6.979 -4.236 1.773 98 HB ILE 16 HB ILE 16 -5.693 -2.609 3.965 99 HG12 ILE 16 2HG1 ILE 16 -5.185 -5.175 2.497 100 HG13 ILE 16 1HG1 ILE 16 -4.047 -3.917 2.966 101 HG21 ILE 16 1HG2 ILE 16 -7.877 -3.529 4.750 102 HG22 ILE 16 2HG2 ILE 16 -6.498 -4.279 5.556 103 HG23 ILE 16 3HG2 ILE 16 -7.340 -5.138 4.267 104 HD11 ILE 16 3HD1 ILE 16 -5.401 -5.786 4.931 105 HD12 ILE 16 1HD1 ILE 16 -4.104 -4.643 5.277 106 HD13 ILE 16 2HD1 ILE 16 -3.793 -6.053 4.265 107 H LYS 17 H LYS 17 -7.528 -0.827 2.094 108 HA LYS 17 HA LYS 17 -9.869 -0.800 3.701 109 HB2 LYS 17 2HB LYS 17 -10.115 1.389 2.877 110 HB3 LYS 17 1HB LYS 17 -8.394 1.088 2.660 111 HG2 LYS 17 2HG LYS 17 -8.641 0.730 0.325 112 HG3 LYS 17 1HG LYS 17 -10.387 0.539 0.454 113 HD2 LYS 17 2HD LYS 17 -9.488 3.102 1.518 114 HD3 LYS 17 1HD LYS 17 -9.058 2.896 -0.181 115 HE2 LYS 17 2HE LYS 17 -11.231 3.049 -0.854 116 HE3 LYS 17 1HE LYS 17 -11.796 2.002 0.464 117 HZ1 LYS 17 3HZ LYS 17 -10.883 4.804 0.837 118 HZ2 LYS 17 1HZ LYS 17 -11.584 3.797 2.007 119 HZ3 LYS 17 2HZ LYS 17 -12.514 4.351 0.699 120 H GLN 18 H GLN 18 -9.363 -2.087 0.531 121 HA GLN 18 HA GLN 18 -12.032 -1.863 -0.521 122 HB2 GLN 18 2HB GLN 18 -9.889 -3.968 -0.971 123 HB3 GLN 18 1HB GLN 18 -11.223 -3.598 -2.064 124 HG2 GLN 18 2HG GLN 18 -8.977 -1.718 -1.273 125 HG3 GLN 18 1HG GLN 18 -9.197 -2.479 -2.852 126 HE21 GLN 18 1HE2 GLN 18 -9.122 0.341 -2.699 127 HE22 GLN 18 2HE2 GLN 18 -10.672 0.961 -3.009 128 H ASP 19 H ASP 19 -10.595 -3.875 1.905 129 HA ASP 19 HA ASP 19 -11.635 -5.360 3.413 130 HB2 ASP 19 2HB ASP 19 -13.801 -4.812 3.727 131 HB3 ASP 19 1HB ASP 19 -13.686 -3.807 2.283 132 H LEU 20 H LEU 20 -10.590 -6.080 0.522 133 HA LEU 20 HA LEU 20 -12.085 -8.464 -0.203 134 HB2 LEU 20 2HB LEU 20 -9.175 -8.006 -0.835 135 HB3 LEU 20 1HB LEU 20 -10.424 -8.709 -1.854 136 HG LEU 20 HG LEU 20 -9.897 -5.816 -1.234 137 HD11 LEU 20 1HD1 LEU 20 -9.353 -5.750 -3.417 138 HD12 LEU 20 2HD1 LEU 20 -10.860 -6.542 -3.878 139 HD13 LEU 20 3HD1 LEU 20 -9.459 -7.510 -3.418 140 HD21 LEU 20 3HD2 LEU 20 -12.268 -5.849 -2.680 141 HD22 LEU 20 1HD2 LEU 20 -12.126 -5.476 -0.961 142 HD23 LEU 20 2HD2 LEU 20 -12.515 -7.117 -1.480 143 H SER 21 H SER 21 -8.688 -8.317 0.906 144 HA SER 21 HA SER 21 -9.111 -10.140 3.138 145 HB2 SER 21 2HB SER 21 -7.534 -11.272 0.831 146 HB3 SER 21 1HB SER 21 -8.286 -12.126 2.173 147 HG SER 21 HG SER 21 -10.134 -12.121 1.141 148 H LYS 22 H LYS 22 -6.741 -10.987 3.802 149 HA LYS 22 HA LYS 22 -5.063 -8.600 3.986 150 HB2 LYS 22 2HB LYS 22 -3.738 -10.020 5.452 151 HB3 LYS 22 1HB LYS 22 -5.442 -10.333 5.782 152 HG2 LYS 22 2HG LYS 22 -4.791 -12.094 3.705 153 HG3 LYS 22 1HG LYS 22 -3.404 -12.153 4.791 154 HD2 LYS 22 2HD LYS 22 -5.661 -12.130 6.467 155 HD3 LYS 22 1HD LYS 22 -6.056 -13.253 5.165 156 HE2 LYS 22 2HE LYS 22 -3.791 -14.346 5.547 157 HE3 LYS 22 1HE LYS 22 -3.649 -13.352 7.011 158 HZ1 LYS 22 3HZ LYS 22 -5.184 -14.563 8.068 159 HZ2 LYS 22 1HZ LYS 22 -4.963 -15.729 6.856 160 HZ3 LYS 22 2HZ LYS 22 -6.225 -14.598 6.726 161 H ASP 23 H ASP 23 -5.187 -11.471 1.997 162 HA ASP 23 HA ASP 23 -2.442 -11.124 0.967 163 HB2 ASP 23 2HB ASP 23 -3.917 -13.286 1.340 164 HB3 ASP 23 1HB ASP 23 -4.583 -12.865 -0.238 165 H TRP 24 H TRP 24 -5.675 -10.118 0.266 166 HA TRP 24 HA TRP 24 -5.653 -9.644 -2.508 167 HB2 TRP 24 2HB TRP 24 -7.700 -9.122 -1.647 168 HB3 TRP 24 1HB TRP 24 -7.021 -8.732 -0.068 169 HD1 TRP 24 HD TRP 24 -7.568 -6.337 0.553 170 HE1 TRP 24 1HE TRP 24 -7.700 -4.083 -0.694 171 HE3 TRP 24 3HE TRP 24 -6.505 -7.890 -4.176 172 HZ2 TRP 24 2HZ TRP 24 -7.395 -3.075 -3.359 173 HZ3 TRP 24 3HZ TRP 24 -6.432 -6.276 -6.058 174 HH2 TRP 24 HH TRP 24 -6.875 -3.869 -5.655 175 H CYS 25 H CYS 25 -4.543 -7.479 0.118 176 HA CYS 25 HA CYS 25 -3.459 -5.529 -1.784 177 HB2 CYS 25 2HB CYS 25 -4.383 -4.743 0.292 178 HB3 CYS 25 1HB CYS 25 -3.409 -5.884 1.223 179 H CYS 26 H CYS 26 -2.119 -7.948 0.483 180 HA CYS 26 HA CYS 26 0.589 -7.428 0.405 181 HB2 CYS 26 2HB CYS 26 -1.135 -9.598 0.956 182 HB3 CYS 26 1HB CYS 26 0.110 -10.237 -0.117 183 H ASP 27 H ASP 27 -1.335 -8.963 -2.170 184 HA ASP 27 HA ASP 27 1.020 -9.238 -3.926 185 HB2 ASP 27 2HB ASP 27 -1.607 -10.333 -3.640 186 HB3 ASP 27 1HB ASP 27 -1.491 -9.623 -5.250 187 H PHE 28 H PHE 28 -1.566 -6.976 -3.332 188 HA PHE 28 HA PHE 28 -1.675 -5.635 -5.849 189 HB2 PHE 28 2HB PHE 28 -3.308 -5.323 -4.070 190 HB3 PHE 28 1HB PHE 28 -2.058 -4.696 -2.988 191 HD1 PHE 28 2HD PHE 28 -1.052 -2.479 -3.370 192 HD2 PHE 28 1HD PHE 28 -4.213 -3.970 -5.867 193 HE1 PHE 28 2HE PHE 28 -1.422 -0.195 -4.264 194 HE2 PHE 28 1HE PHE 28 -4.582 -1.686 -6.762 195 HZ PHE 28 HZ PHE 28 -3.188 0.201 -5.960 196 H VAL 29 H VAL 29 0.008 -4.472 -2.893 197 HA VAL 29 HA VAL 29 1.490 -2.397 -3.972 198 HB VAL 29 HB VAL 29 3.078 -2.858 -2.151 199 HG11 VAL 29 1HG1 VAL 29 1.443 -2.103 -0.801 200 HG12 VAL 29 2HG1 VAL 29 0.891 -3.763 -0.581 201 HG13 VAL 29 3HG1 VAL 29 0.215 -2.774 -1.875 202 HG21 VAL 29 3HG2 VAL 29 2.922 -4.972 -0.886 203 HG22 VAL 29 1HG2 VAL 29 3.347 -5.274 -2.570 204 HG23 VAL 29 2HG2 VAL 29 1.698 -5.558 -2.014 205 H LYS 30 H LYS 30 2.208 -5.877 -4.206 206 HA LYS 30 HA LYS 30 4.785 -5.661 -5.436 207 HB2 LYS 30 2HB LYS 30 2.673 -7.780 -5.931 208 HB3 LYS 30 1HB LYS 30 4.425 -7.984 -5.947 209 HG2 LYS 30 2HG LYS 30 3.730 -6.874 -3.422 210 HG3 LYS 30 1HG LYS 30 2.629 -8.218 -3.724 211 HD2 LYS 30 2HD LYS 30 5.448 -8.742 -4.436 212 HD3 LYS 30 1HD LYS 30 5.150 -8.509 -2.714 213 HE2 LYS 30 2HE LYS 30 4.071 -10.506 -2.532 214 HE3 LYS 30 1HE LYS 30 3.140 -10.224 -4.018 215 HZ1 LYS 30 3HZ LYS 30 4.709 -11.176 -5.299 216 HZ2 LYS 30 1HZ LYS 30 5.153 -11.969 -3.868 217 HZ3 LYS 30 2HZ LYS 30 6.000 -10.583 -4.366 218 H ASP 31 H ASP 31 1.492 -5.724 -6.784 219 HA ASP 31 HA ASP 31 2.099 -5.918 -9.538 220 HB2 ASP 31 2HB ASP 31 -0.068 -4.448 -8.009 221 HB3 ASP 31 1HB ASP 31 -0.117 -4.716 -9.752 222 H ILE 32 H ILE 32 1.818 -2.962 -7.520 223 HA ILE 32 HA ILE 32 2.655 -1.264 -9.781 224 HB ILE 32 HB ILE 32 2.379 0.513 -8.016 225 HG12 ILE 32 2HG1 ILE 32 1.307 -1.672 -6.242 226 HG13 ILE 32 1HG1 ILE 32 3.018 -1.246 -6.186 227 HG21 ILE 32 1HG2 ILE 32 -0.136 -0.299 -7.543 228 HG22 ILE 32 2HG2 ILE 32 0.289 -1.466 -8.796 229 HG23 ILE 32 3HG2 ILE 32 0.382 0.263 -9.133 230 HD11 ILE 32 3HD1 ILE 32 0.716 0.691 -5.799 231 HD12 ILE 32 1HD1 ILE 32 2.430 1.100 -5.725 232 HD13 ILE 32 2HD1 ILE 32 1.724 0.033 -4.511 233 H ARG 33 H ARG 33 4.541 -3.327 -8.580 234 HA ARG 33 HA ARG 33 6.811 -3.449 -7.930 235 HB2 ARG 33 2HB ARG 33 6.802 -2.207 -10.112 236 HB3 ARG 33 1HB ARG 33 6.773 -0.695 -9.203 237 HG2 ARG 33 2HG ARG 33 8.997 -0.794 -8.871 238 HG3 ARG 33 1HG ARG 33 8.859 -2.413 -8.183 239 HD2 ARG 33 2HD ARG 33 8.466 -2.555 -11.042 240 HD3 ARG 33 1HD ARG 33 9.998 -1.731 -10.682 241 HE ARG 33 HE ARG 33 9.450 -4.523 -10.174 242 HH11 ARG 33 1HH2 ARG 33 10.972 -1.686 -8.920 243 HH12 ARG 33 2HH2 ARG 33 12.166 -2.566 -8.027 244 HH21 ARG 33 1HH1 ARG 33 11.003 -5.679 -9.013 245 HH22 ARG 33 2HH1 ARG 33 12.184 -4.822 -8.078 246 H MET 34 H MET 34 6.160 -3.249 -5.603 247 HA MET 34 HA MET 34 7.249 -0.724 -4.429 248 HB2 MET 34 2HB MET 34 4.554 -1.988 -4.145 249 HB3 MET 34 1HB MET 34 5.258 -1.247 -2.707 250 HG2 MET 34 2HG MET 34 5.490 0.374 -5.168 251 HG3 MET 34 1HG MET 34 3.836 0.127 -4.597 252 HE1 MET 34 3HE MET 34 4.941 3.313 -4.384 253 HE2 MET 34 1HE MET 34 6.251 2.259 -4.935 254 HE3 MET 34 2HE MET 34 6.478 3.285 -3.521 255 H ASN 35 H ASN 35 7.147 -1.295 -1.789 256 HA ASN 35 HA ASN 35 8.831 -3.746 -1.570 257 HB2 ASN 35 2HB ASN 35 8.648 -1.090 -0.342 258 HB3 ASN 35 1HB ASN 35 8.857 -2.375 0.848 259 HD21 ASN 35 1HD2 ASN 35 10.847 -0.301 -0.157 260 HD22 ASN 35 2HD2 ASN 35 12.180 -1.213 -0.703 261 HA PRO 36 HA PRO 36 5.082 -5.439 0.294 262 HB2 PRO 36 2HB PRO 36 5.806 -8.041 -0.055 263 HB3 PRO 36 1HB PRO 36 5.076 -7.064 -1.345 264 HG2 PRO 36 2HG PRO 36 7.902 -7.861 -0.942 265 HG3 PRO 36 1HG PRO 36 7.002 -7.605 -2.443 266 HD2 PRO 36 2HD PRO 36 8.801 -5.812 -1.340 267 HD3 PRO 36 1HD PRO 36 7.541 -5.402 -2.525 268 HA PRO 37 HA PRO 37 7.444 -6.077 4.061 269 HB2 PRO 37 2HB PRO 37 5.386 -5.485 5.766 270 HB3 PRO 37 1HB PRO 37 6.369 -4.237 4.976 271 HG2 PRO 37 2HG PRO 37 3.639 -5.189 4.322 272 HG3 PRO 37 1HG PRO 37 4.341 -3.573 4.168 273 HD2 PRO 37 2HD PRO 37 3.964 -5.351 2.079 274 HD3 PRO 37 1HD PRO 37 5.093 -3.976 2.063 275 H ALA 38 H ALA 38 7.715 -8.159 4.788 276 HA ALA 38 HA ALA 38 5.478 -10.087 4.574 277 HB1 ALA 38 1HB ALA 38 8.377 -10.395 5.429 278 HB2 ALA 38 2HB ALA 38 7.791 -10.568 3.775 279 HB3 ALA 38 3HB ALA 38 7.275 -11.708 5.017 280 H ASP 39 H ASP 39 7.429 -8.473 7.050 281 HA ASP 39 HA ASP 39 6.262 -10.045 9.246 282 HB2 ASP 39 2HB ASP 39 7.650 -8.456 10.594 283 HB3 ASP 39 1HB ASP 39 8.573 -9.243 9.313 284 H LYS 40 H LYS 40 4.878 -7.842 7.311 285 HA LYS 40 HA LYS 40 3.379 -6.518 9.552 286 HB2 LYS 40 2HB LYS 40 4.961 -5.231 7.871 287 HB3 LYS 40 1HB LYS 40 3.594 -5.398 6.771 288 HG2 LYS 40 2HG LYS 40 2.937 -3.441 7.768 289 HG3 LYS 40 1HG LYS 40 2.284 -4.548 8.975 290 HD2 LYS 40 2HD LYS 40 4.968 -4.240 9.698 291 HD3 LYS 40 1HD LYS 40 4.448 -2.621 9.235 292 HE2 LYS 40 2HE LYS 40 2.472 -4.077 10.876 293 HE3 LYS 40 1HE LYS 40 3.997 -3.718 11.711 294 HZ1 LYS 40 3HZ LYS 40 2.649 -1.691 10.035 295 HZ2 LYS 40 1HZ LYS 40 3.812 -1.456 11.248 296 HZ3 LYS 40 2HZ LYS 40 2.225 -1.895 11.669 297 H CYS 41 H CYS 41 3.065 -7.468 6.103 298 HA CYS 41 HA CYS 41 0.136 -7.654 6.359 299 HB2 CYS 41 2HB CYS 41 1.019 -6.760 4.327 300 HB3 CYS 41 1HB CYS 41 2.184 -8.078 4.170 301 HA PRO 42 HA PRO 42 0.713 -11.942 7.605 302 HB2 PRO 42 2HB PRO 42 -1.903 -12.340 8.305 303 HB3 PRO 42 1HB PRO 42 -0.735 -11.521 9.361 304 HG2 PRO 42 2HG PRO 42 -2.837 -10.358 7.607 305 HG3 PRO 42 1HG PRO 42 -2.300 -9.850 9.216 306 HD2 PRO 42 2HD PRO 42 -1.550 -8.603 6.903 307 HD3 PRO 42 1HD PRO 42 -0.568 -8.607 8.387 Start of MODEL 6 1 H1 ILE 1 H ILE 1 -1.478 14.911 -3.665 2 HA ILE 1 HA ILE 1 -1.547 14.335 -6.603 3 HB ILE 1 HB ILE 1 1.002 14.261 -6.395 4 HG12 ILE 1 2HG1 ILE 1 0.689 14.286 -3.772 5 HG13 ILE 1 1HG1 ILE 1 2.066 15.106 -4.503 6 HG21 ILE 1 1HG2 ILE 1 -0.565 16.828 -6.064 7 HG22 ILE 1 2HG2 ILE 1 0.004 16.093 -7.563 8 HG23 ILE 1 3HG2 ILE 1 1.159 16.804 -6.435 9 HD11 ILE 1 3HD1 ILE 1 1.284 17.181 -3.959 10 HD12 ILE 1 1HD1 ILE 1 0.379 16.295 -2.733 11 HD13 ILE 1 2HD1 ILE 1 -0.396 16.739 -4.253 12 HA PRO 2 HA PRO 2 -1.305 10.145 -5.320 13 HB2 PRO 2 2HB PRO 2 0.028 9.018 -7.427 14 HB3 PRO 2 1HB PRO 2 -1.655 9.577 -7.535 15 HG2 PRO 2 2HG PRO 2 0.835 10.867 -8.509 16 HG3 PRO 2 1HG PRO 2 -0.787 10.857 -9.218 17 HD2 PRO 2 2HD PRO 2 0.293 12.963 -7.809 18 HD3 PRO 2 1HD PRO 2 -1.449 12.680 -8.025 19 H TYR 3 H TYR 3 0.107 8.799 -4.148 20 HA TYR 3 HA TYR 3 3.024 9.056 -4.493 21 HB2 TYR 3 2HB TYR 3 1.767 10.816 -2.848 22 HB3 TYR 3 1HB TYR 3 2.086 9.497 -1.717 23 HD1 TYR 3 1HD TYR 3 3.957 10.982 -4.620 24 HD2 TYR 3 2HD TYR 3 4.014 9.873 -0.471 25 HE1 TYR 3 1HE TYR 3 6.330 11.687 -4.464 26 HE2 TYR 3 2HE TYR 3 6.388 10.577 -0.315 27 HH TYR 3 HH TYR 3 7.873 12.513 -2.468 28 H CYS 4 H CYS 4 0.332 7.696 -2.665 29 HA CYS 4 HA CYS 4 0.089 5.585 -1.609 30 HB2 CYS 4 2HB CYS 4 0.229 4.990 -3.994 31 HB3 CYS 4 1HB CYS 4 1.989 4.972 -3.901 32 H GLY 5 H GLY 5 2.227 7.366 -0.611 33 HA2 GLY 5 2HA GLY 5 3.983 7.237 0.941 34 HA3 GLY 5 1HA GLY 5 3.597 5.520 1.105 35 H GLN 6 H GLN 6 6.270 6.448 1.080 36 HA GLN 6 HA GLN 6 7.397 6.119 -1.603 37 HB2 GLN 6 2HB GLN 6 8.294 6.640 1.188 38 HB3 GLN 6 1HB GLN 6 9.484 5.900 0.110 39 HG2 GLN 6 2HG GLN 6 7.983 8.116 -1.117 40 HG3 GLN 6 1HG GLN 6 8.971 8.601 0.260 41 HE21 GLN 6 1HE2 GLN 6 9.417 6.250 -2.457 42 HE22 GLN 6 2HE2 GLN 6 10.967 6.823 -2.881 43 H THR 7 H THR 7 6.325 4.003 0.871 44 HA THR 7 HA THR 7 7.673 1.715 -0.502 45 HB THR 7 HB THR 7 7.756 0.895 2.056 46 HG1 THR 7 1HG THR 7 6.813 3.064 2.560 47 HG21 THR 7 3HG2 THR 7 9.573 1.923 0.157 48 HG22 THR 7 1HG2 THR 7 9.949 0.944 1.575 49 HG23 THR 7 2HG2 THR 7 9.971 2.703 1.688 50 H GLY 8 H GLY 8 6.417 -0.185 -0.534 51 HA2 GLY 8 2HA GLY 8 3.621 -0.002 -0.539 52 HA3 GLY 8 1HA GLY 8 4.498 -1.522 -0.337 53 H ALA 9 H ALA 9 5.794 -0.733 2.156 54 HA ALA 9 HA ALA 9 4.029 -1.727 4.086 55 HB1 ALA 9 1HB ALA 9 5.583 -0.264 5.625 56 HB2 ALA 9 2HB ALA 9 6.412 0.111 4.115 57 HB3 ALA 9 3HB ALA 9 6.298 -1.560 4.666 58 H GLU 10 H GLU 10 4.181 1.500 2.725 59 HA GLU 10 HA GLU 10 2.509 2.693 4.835 60 HB2 GLU 10 2HB GLU 10 3.410 3.729 2.127 61 HB3 GLU 10 1HB GLU 10 2.790 4.702 3.461 62 HG2 GLU 10 2HG GLU 10 5.212 2.929 3.796 63 HG3 GLU 10 1HG GLU 10 5.352 4.584 3.192 64 H CYS 11 H CYS 11 2.109 1.577 1.472 65 HA CYS 11 HA CYS 11 -0.687 2.469 1.354 66 HB2 CYS 11 2HB CYS 11 1.386 1.325 -0.393 67 HB3 CYS 11 1HB CYS 11 -0.240 0.745 -0.753 68 H TYR 12 H TYR 12 1.040 -0.454 2.219 69 HA TYR 12 HA TYR 12 -0.698 -2.553 1.829 70 HB2 TYR 12 2HB TYR 12 1.210 -3.087 2.998 71 HB3 TYR 12 1HB TYR 12 1.127 -1.655 4.007 72 HD1 TYR 12 1HD TYR 12 -1.494 -4.242 3.379 73 HD2 TYR 12 2HD TYR 12 1.213 -2.498 6.223 74 HE1 TYR 12 1HE TYR 12 -2.534 -5.574 5.188 75 HE2 TYR 12 2HE TYR 12 0.162 -3.827 8.034 76 HH TYR 12 HH TYR 12 -1.304 -5.423 8.527 77 H SER 13 H SER 13 -1.130 0.159 3.997 78 HA SER 13 HA SER 13 -3.409 -0.924 5.440 79 HB2 SER 13 2HB SER 13 -3.555 1.453 6.219 80 HB3 SER 13 1HB SER 13 -1.930 0.788 6.359 81 HG SER 13 HG SER 13 -2.941 2.746 4.668 82 H TRP 14 H TRP 14 -3.066 1.382 2.720 83 HA TRP 14 HA TRP 14 -5.848 1.999 2.441 84 HB2 TRP 14 2HB TRP 14 -4.113 3.356 1.455 85 HB3 TRP 14 1HB TRP 14 -3.495 1.983 0.530 86 HD1 TRP 14 HD TRP 14 -6.778 4.005 0.857 87 HE1 TRP 14 1HE TRP 14 -7.889 4.108 -1.466 88 HE3 TRP 14 3HE TRP 14 -3.503 1.138 -1.815 89 HZ2 TRP 14 2HZ TRP 14 -7.448 3.106 -4.107 90 HZ3 TRP 14 3HZ TRP 14 -3.874 0.731 -4.231 91 HH2 TRP 14 HH TRP 14 -5.841 1.710 -5.380 92 H CYS 15 H CYS 15 -3.872 -0.124 0.341 93 HA CYS 15 HA CYS 15 -5.762 -1.274 -1.287 94 HB2 CYS 15 2HB CYS 15 -4.309 -3.423 -0.921 95 HB3 CYS 15 1HB CYS 15 -3.526 -1.970 -1.540 96 H ILE 16 H ILE 16 -5.082 -2.370 2.055 97 HA ILE 16 HA ILE 16 -6.970 -4.502 2.107 98 HB ILE 16 HB ILE 16 -5.602 -2.728 4.107 99 HG12 ILE 16 2HG1 ILE 16 -5.481 -5.550 3.106 100 HG13 ILE 16 1HG1 ILE 16 -4.168 -4.415 3.402 101 HG21 ILE 16 1HG2 ILE 16 -7.892 -3.165 5.002 102 HG22 ILE 16 2HG2 ILE 16 -6.636 -3.963 5.950 103 HG23 ILE 16 3HG2 ILE 16 -7.609 -4.894 4.809 104 HD11 ILE 16 3HD1 ILE 16 -4.225 -6.302 5.044 105 HD12 ILE 16 1HD1 ILE 16 -5.805 -5.740 5.583 106 HD13 ILE 16 2HD1 ILE 16 -4.385 -4.721 5.808 107 H LYS 17 H LYS 17 -7.463 -1.085 2.091 108 HA LYS 17 HA LYS 17 -9.889 -0.806 3.540 109 HB2 LYS 17 2HB LYS 17 -8.352 0.941 2.471 110 HB3 LYS 17 1HB LYS 17 -9.162 0.581 0.946 111 HG2 LYS 17 2HG LYS 17 -11.253 0.924 2.770 112 HG3 LYS 17 1HG LYS 17 -10.097 2.189 3.189 113 HD2 LYS 17 2HD LYS 17 -10.087 3.029 0.924 114 HD3 LYS 17 1HD LYS 17 -11.043 1.659 0.359 115 HE2 LYS 17 2HE LYS 17 -13.014 2.501 1.226 116 HE3 LYS 17 1HE LYS 17 -12.192 3.324 2.566 117 HZ1 LYS 17 3HZ LYS 17 -12.570 5.104 1.211 118 HZ2 LYS 17 1HZ LYS 17 -12.530 4.185 -0.215 119 HZ3 LYS 17 2HZ LYS 17 -11.081 4.600 0.569 120 H GLN 18 H GLN 18 -9.351 -1.678 0.112 121 HA GLN 18 HA GLN 18 -11.943 -1.788 -0.878 122 HB2 GLN 18 2HB GLN 18 -9.645 -3.746 -1.204 123 HB3 GLN 18 1HB GLN 18 -11.038 -3.659 -2.285 124 HG2 GLN 18 2HG GLN 18 -9.090 -1.401 -1.727 125 HG3 GLN 18 1HG GLN 18 -9.156 -2.367 -3.206 126 HE21 GLN 18 1HE2 GLN 18 -9.954 0.620 -2.253 127 HE22 GLN 18 2HE2 GLN 18 -11.398 0.864 -3.113 128 H ASP 19 H ASP 19 -10.476 -3.872 1.525 129 HA ASP 19 HA ASP 19 -11.491 -5.439 2.976 130 HB2 ASP 19 2HB ASP 19 -13.423 -3.643 2.358 131 HB3 ASP 19 1HB ASP 19 -14.145 -5.107 1.681 132 H LEU 20 H LEU 20 -10.357 -6.269 0.412 133 HA LEU 20 HA LEU 20 -12.215 -8.336 -0.617 134 HB2 LEU 20 2HB LEU 20 -9.319 -7.964 -1.370 135 HB3 LEU 20 1HB LEU 20 -10.648 -8.532 -2.376 136 HG LEU 20 HG LEU 20 -10.172 -5.707 -1.393 137 HD11 LEU 20 1HD1 LEU 20 -10.692 -6.388 -4.239 138 HD12 LEU 20 2HD1 LEU 20 -9.153 -6.941 -3.580 139 HD13 LEU 20 3HD1 LEU 20 -9.559 -5.226 -3.549 140 HD21 LEU 20 3HD2 LEU 20 -12.513 -6.741 -3.019 141 HD22 LEU 20 1HD2 LEU 20 -12.287 -5.106 -2.398 142 HD23 LEU 20 2HD2 LEU 20 -12.594 -6.439 -1.283 143 H SER 21 H SER 21 -9.112 -8.103 1.113 144 HA SER 21 HA SER 21 -9.434 -10.312 2.811 145 HB2 SER 21 2HB SER 21 -9.081 -11.011 0.027 146 HB3 SER 21 1HB SER 21 -7.729 -11.631 0.968 147 HG SER 21 HG SER 21 -10.034 -12.732 0.768 148 H LYS 22 H LYS 22 -7.672 -10.294 4.214 149 HA LYS 22 HA LYS 22 -5.658 -8.354 4.139 150 HB2 LYS 22 2HB LYS 22 -4.586 -9.747 5.843 151 HB3 LYS 22 1HB LYS 22 -6.336 -9.831 6.051 152 HG2 LYS 22 2HG LYS 22 -5.681 -11.865 4.207 153 HG3 LYS 22 1HG LYS 22 -4.476 -11.970 5.491 154 HD2 LYS 22 2HD LYS 22 -6.155 -12.200 7.178 155 HD3 LYS 22 1HD LYS 22 -7.440 -11.746 6.057 156 HE2 LYS 22 2HE LYS 22 -6.466 -13.866 4.711 157 HE3 LYS 22 1HE LYS 22 -6.039 -14.361 6.362 158 HZ1 LYS 22 3HZ LYS 22 -8.335 -13.744 7.024 159 HZ2 LYS 22 1HZ LYS 22 -8.276 -15.052 5.946 160 HZ3 LYS 22 2HZ LYS 22 -8.713 -13.509 5.384 161 H ASP 23 H ASP 23 -5.855 -11.345 2.371 162 HA ASP 23 HA ASP 23 -2.988 -11.306 1.632 163 HB2 ASP 23 2HB ASP 23 -4.670 -13.312 2.098 164 HB3 ASP 23 1HB ASP 23 -5.072 -13.076 0.397 165 H TRP 24 H TRP 24 -5.936 -9.954 0.568 166 HA TRP 24 HA TRP 24 -5.478 -9.947 -2.284 167 HB2 TRP 24 2HB TRP 24 -7.597 -9.149 -2.159 168 HB3 TRP 24 1HB TRP 24 -7.455 -9.202 -0.403 169 HD1 TRP 24 HD TRP 24 -7.506 -6.961 0.839 170 HE1 TRP 24 1HE TRP 24 -7.465 -4.482 0.136 171 HE3 TRP 24 3HE TRP 24 -6.552 -7.479 -4.149 172 HZ2 TRP 24 2HZ TRP 24 -7.078 -2.923 -2.235 173 HZ3 TRP 24 3HZ TRP 24 -6.351 -5.484 -5.606 174 HH2 TRP 24 HH TRP 24 -6.613 -3.209 -4.656 175 H CYS 25 H CYS 25 -4.997 -7.444 0.246 176 HA CYS 25 HA CYS 25 -3.723 -5.560 -1.533 177 HB2 CYS 25 2HB CYS 25 -4.651 -4.657 0.425 178 HB3 CYS 25 1HB CYS 25 -4.037 -5.970 1.434 179 H CYS 26 H CYS 26 -2.472 -8.003 0.748 180 HA CYS 26 HA CYS 26 0.247 -7.504 0.765 181 HB2 CYS 26 2HB CYS 26 -1.492 -9.932 0.702 182 HB3 CYS 26 1HB CYS 26 0.244 -10.182 0.510 183 H ASP 27 H ASP 27 -1.663 -8.818 -1.912 184 HA ASP 27 HA ASP 27 0.722 -9.280 -3.578 185 HB2 ASP 27 2HB ASP 27 -2.131 -9.929 -3.522 186 HB3 ASP 27 1HB ASP 27 -1.565 -9.509 -5.139 187 H PHE 28 H PHE 28 -1.657 -6.739 -3.098 188 HA PHE 28 HA PHE 28 -1.388 -5.474 -5.674 189 HB2 PHE 28 2HB PHE 28 -3.266 -4.945 -4.310 190 HB3 PHE 28 1HB PHE 28 -2.245 -4.588 -2.912 191 HD1 PHE 28 1HD PHE 28 -3.183 -3.423 -6.320 192 HD2 PHE 28 2HD PHE 28 -1.284 -2.430 -2.597 193 HE1 PHE 28 1HE PHE 28 -3.034 -1.051 -7.028 194 HE2 PHE 28 2HE PHE 28 -1.136 -0.060 -3.304 195 HZ PHE 28 HZ PHE 28 -2.010 0.632 -5.521 196 H VAL 29 H VAL 29 -0.130 -4.267 -2.541 197 HA VAL 29 HA VAL 29 1.604 -2.319 -3.487 198 HB VAL 29 HB VAL 29 1.754 -2.294 -1.220 199 HG11 VAL 29 1HG1 VAL 29 1.301 -5.271 -1.316 200 HG12 VAL 29 2HG1 VAL 29 0.217 -4.014 -0.716 201 HG13 VAL 29 3HG1 VAL 29 1.672 -4.425 0.189 202 HG21 VAL 29 3HG2 VAL 29 3.724 -3.399 -0.262 203 HG22 VAL 29 1HG2 VAL 29 4.098 -2.727 -1.849 204 HG23 VAL 29 2HG2 VAL 29 3.820 -4.459 -1.667 205 H LYS 30 H LYS 30 2.139 -5.803 -3.471 206 HA LYS 30 HA LYS 30 4.894 -5.687 -4.388 207 HB2 LYS 30 2HB LYS 30 4.077 -7.603 -3.191 208 HB3 LYS 30 1HB LYS 30 2.721 -7.796 -4.300 209 HG2 LYS 30 2HG LYS 30 4.738 -7.983 -6.073 210 HG3 LYS 30 1HG LYS 30 5.575 -8.575 -4.638 211 HD2 LYS 30 2HD LYS 30 4.481 -10.539 -4.729 212 HD3 LYS 30 1HD LYS 30 2.920 -9.720 -4.811 213 HE2 LYS 30 2HE LYS 30 4.362 -9.440 -7.324 214 HE3 LYS 30 1HE LYS 30 4.136 -11.148 -6.895 215 HZ1 LYS 30 3HZ LYS 30 2.078 -9.032 -7.132 216 HZ2 LYS 30 1HZ LYS 30 1.787 -10.464 -6.271 217 HZ3 LYS 30 2HZ LYS 30 2.142 -10.529 -7.931 218 H ASP 31 H ASP 31 1.764 -5.598 -5.964 219 HA ASP 31 HA ASP 31 2.784 -6.276 -8.628 220 HB2 ASP 31 2HB ASP 31 0.223 -5.598 -7.281 221 HB3 ASP 31 1HB ASP 31 0.316 -5.212 -8.999 222 H ILE 32 H ILE 32 2.227 -3.376 -6.733 223 HA ILE 32 HA ILE 32 2.377 -1.551 -9.023 224 HB ILE 32 HB ILE 32 2.420 0.136 -7.133 225 HG12 ILE 32 2HG1 ILE 32 1.951 -2.215 -5.310 226 HG13 ILE 32 1HG1 ILE 32 3.591 -1.647 -5.622 227 HG21 ILE 32 1HG2 ILE 32 0.312 -2.045 -7.074 228 HG22 ILE 32 2HG2 ILE 32 0.293 -0.592 -8.074 229 HG23 ILE 32 3HG2 ILE 32 0.129 -0.459 -6.323 230 HD11 ILE 32 3HD1 ILE 32 3.223 -0.160 -3.957 231 HD12 ILE 32 1HD1 ILE 32 1.482 -0.439 -3.985 232 HD13 ILE 32 2HD1 ILE 32 2.210 0.698 -5.118 233 H ARG 33 H ARG 33 4.628 -3.253 -8.994 234 HA ARG 33 HA ARG 33 6.994 -3.273 -8.842 235 HB2 ARG 33 2HB ARG 33 7.870 -1.367 -10.063 236 HB3 ARG 33 1HB ARG 33 6.295 -1.780 -10.738 237 HG2 ARG 33 2HG ARG 33 5.229 0.032 -9.597 238 HG3 ARG 33 1HG ARG 33 6.649 0.325 -8.594 239 HD2 ARG 33 2HD ARG 33 7.938 0.983 -10.608 240 HD3 ARG 33 1HD ARG 33 6.495 0.717 -11.605 241 HE ARG 33 HE ARG 33 6.918 2.968 -9.792 242 HH11 ARG 33 1HH2 ARG 33 4.646 0.878 -11.338 243 HH12 ARG 33 2HH2 ARG 33 3.345 2.016 -11.254 244 HH21 ARG 33 1HH1 ARG 33 5.228 4.461 -9.673 245 HH22 ARG 33 2HH1 ARG 33 3.674 4.043 -10.313 246 H MET 34 H MET 34 5.954 -2.870 -6.245 247 HA MET 34 HA MET 34 7.899 -0.866 -5.139 248 HB2 MET 34 2HB MET 34 5.048 -1.563 -4.462 249 HB3 MET 34 1HB MET 34 6.102 -0.881 -3.225 250 HG2 MET 34 2HG MET 34 6.390 0.600 -5.690 251 HG3 MET 34 1HG MET 34 4.689 0.531 -5.217 252 HE1 MET 34 3HE MET 34 4.292 3.283 -3.149 253 HE2 MET 34 1HE MET 34 3.904 2.270 -4.546 254 HE3 MET 34 2HE MET 34 5.075 3.576 -4.698 255 H ASN 35 H ASN 35 8.203 -1.510 -2.626 256 HA ASN 35 HA ASN 35 8.994 -4.379 -2.667 257 HB2 ASN 35 2HB ASN 35 10.677 -3.734 -1.174 258 HB3 ASN 35 1HB ASN 35 10.478 -2.274 -2.137 259 HD21 ASN 35 1HD2 ASN 35 9.634 -3.759 0.996 260 HD22 ASN 35 2HD2 ASN 35 9.292 -2.286 1.788 261 HA PRO 36 HA PRO 36 5.422 -4.887 0.001 262 HB2 PRO 36 2HB PRO 36 5.298 -7.596 -0.261 263 HB3 PRO 36 1HB PRO 36 4.649 -6.477 -1.478 264 HG2 PRO 36 2HG PRO 36 7.127 -8.089 -1.525 265 HG3 PRO 36 1HG PRO 36 6.099 -7.554 -2.860 266 HD2 PRO 36 2HD PRO 36 8.536 -6.417 -2.120 267 HD3 PRO 36 1HD PRO 36 7.315 -5.671 -3.173 268 HA PRO 37 HA PRO 37 8.003 -6.084 3.433 269 HB2 PRO 37 2HB PRO 37 6.286 -5.252 5.395 270 HB3 PRO 37 1HB PRO 37 7.319 -4.134 4.483 271 HG2 PRO 37 2HG PRO 37 4.422 -4.670 4.219 272 HG3 PRO 37 1HG PRO 37 5.329 -3.178 3.937 273 HD2 PRO 37 2HD PRO 37 4.402 -4.911 1.966 274 HD3 PRO 37 1HD PRO 37 5.656 -3.668 1.750 275 H ALA 38 H ALA 38 8.070 -8.112 4.367 276 HA ALA 38 HA ALA 38 5.724 -9.865 4.142 277 HB1 ALA 38 1HB ALA 38 7.602 -11.095 3.709 278 HB2 ALA 38 2HB ALA 38 7.659 -11.271 5.462 279 HB3 ALA 38 3HB ALA 38 8.632 -10.032 4.668 280 H ASP 39 H ASP 39 6.991 -7.749 6.517 281 HA ASP 39 HA ASP 39 6.079 -9.258 8.861 282 HB2 ASP 39 2HB ASP 39 7.375 -6.658 8.202 283 HB3 ASP 39 1HB ASP 39 6.504 -6.739 9.734 284 H LYS 40 H LYS 40 4.776 -6.795 6.707 285 HA LYS 40 HA LYS 40 2.434 -6.356 8.489 286 HB2 LYS 40 2HB LYS 40 2.949 -5.138 5.774 287 HB3 LYS 40 1HB LYS 40 2.047 -4.457 7.124 288 HG2 LYS 40 2HG LYS 40 5.040 -4.859 6.965 289 HG3 LYS 40 1HG LYS 40 4.178 -3.323 7.000 290 HD2 LYS 40 2HD LYS 40 3.281 -4.789 9.249 291 HD3 LYS 40 1HD LYS 40 5.038 -4.947 9.218 292 HE2 LYS 40 2HE LYS 40 4.739 -2.286 8.620 293 HE3 LYS 40 1HE LYS 40 3.387 -2.555 9.738 294 HZ1 LYS 40 3HZ LYS 40 5.392 -2.093 10.985 295 HZ2 LYS 40 1HZ LYS 40 6.221 -3.338 10.186 296 HZ3 LYS 40 2HZ LYS 40 4.932 -3.711 11.229 297 H CYS 41 H CYS 41 3.158 -8.812 6.612 298 HA CYS 41 HA CYS 41 0.505 -8.885 5.210 299 HB2 CYS 41 2HB CYS 41 3.278 -9.510 4.461 300 HB3 CYS 41 1HB CYS 41 2.138 -10.795 4.046 301 HA PRO 42 HA PRO 42 0.416 -12.180 8.415 302 HB2 PRO 42 2HB PRO 42 -2.220 -11.830 9.050 303 HB3 PRO 42 1HB PRO 42 -0.916 -10.882 9.791 304 HG2 PRO 42 2HG PRO 42 -2.798 -10.133 7.615 305 HG3 PRO 42 1HG PRO 42 -2.146 -9.149 8.934 306 HD2 PRO 42 2HD PRO 42 -1.228 -9.052 6.353 307 HD3 PRO 42 1HD PRO 42 -0.248 -8.624 7.776 Start of MODEL 7 1 H1 ILE 1 H ILE 1 -0.098 8.484 -12.064 2 HA ILE 1 HA ILE 1 1.115 10.747 -10.511 3 HB ILE 1 HB ILE 1 -1.634 9.536 -10.141 4 HG12 ILE 1 2HG1 ILE 1 -1.754 12.211 -11.133 5 HG13 ILE 1 1HG1 ILE 1 -0.715 11.288 -12.214 6 HG21 ILE 1 1HG2 ILE 1 -1.907 11.872 -9.019 7 HG22 ILE 1 2HG2 ILE 1 -0.142 11.886 -8.991 8 HG23 ILE 1 3HG2 ILE 1 -1.028 10.618 -8.145 9 HD11 ILE 1 3HD1 ILE 1 -3.537 10.575 -11.372 10 HD12 ILE 1 1HD1 ILE 1 -2.488 9.516 -12.315 11 HD13 ILE 1 2HD1 ILE 1 -3.008 11.064 -12.982 12 HA PRO 2 HA PRO 2 2.259 6.838 -8.451 13 HB2 PRO 2 2HB PRO 2 4.668 7.763 -7.539 14 HB3 PRO 2 1HB PRO 2 4.443 7.109 -9.176 15 HG2 PRO 2 2HG PRO 2 4.623 9.934 -8.274 16 HG3 PRO 2 1HG PRO 2 5.234 9.178 -9.752 17 HD2 PRO 2 2HD PRO 2 2.947 10.694 -9.623 18 HD3 PRO 2 1HD PRO 2 3.256 9.451 -10.858 19 H TYR 3 H TYR 3 0.372 7.800 -7.069 20 HA TYR 3 HA TYR 3 1.409 9.179 -4.629 21 HB2 TYR 3 2HB TYR 3 -0.706 9.678 -6.329 22 HB3 TYR 3 1HB TYR 3 -1.499 8.839 -4.996 23 HD1 TYR 3 2HD TYR 3 0.463 11.800 -5.981 24 HD2 TYR 3 1HD TYR 3 -1.523 9.804 -2.735 25 HE1 TYR 3 2HE TYR 3 0.620 13.862 -4.613 26 HE2 TYR 3 1HE TYR 3 -1.364 11.865 -1.371 27 HH TYR 3 HH TYR 3 -0.854 14.804 -2.529 28 H CYS 4 H CYS 4 -1.274 8.119 -3.410 29 HA CYS 4 HA CYS 4 -2.000 6.247 -2.176 30 HB2 CYS 4 2HB CYS 4 -1.792 4.398 -3.460 31 HB3 CYS 4 1HB CYS 4 -0.615 5.240 -4.453 32 H GLY 5 H GLY 5 0.766 7.912 -1.892 33 HA2 GLY 5 2HA GLY 5 1.535 8.081 0.527 34 HA3 GLY 5 1HA GLY 5 1.718 6.325 0.459 35 H GLN 6 H GLN 6 3.964 6.270 0.751 36 HA GLN 6 HA GLN 6 5.578 7.473 -1.469 37 HB2 GLN 6 2HB GLN 6 5.585 8.177 1.195 38 HB3 GLN 6 1HB GLN 6 6.898 6.997 1.128 39 HG2 GLN 6 2HG GLN 6 7.986 8.238 -0.659 40 HG3 GLN 6 1HG GLN 6 6.627 9.358 -0.756 41 HE21 GLN 6 1HE2 GLN 6 8.851 8.093 1.803 42 HE22 GLN 6 2HE2 GLN 6 9.067 9.608 2.558 43 H THR 7 H THR 7 5.197 4.817 0.856 44 HA THR 7 HA THR 7 6.964 3.140 -0.898 45 HB THR 7 HB THR 7 7.788 2.094 1.117 46 HG1 THR 7 1HG THR 7 5.682 3.544 2.313 47 HG21 THR 7 3HG2 THR 7 9.146 3.817 1.650 48 HG22 THR 7 1HG2 THR 7 7.806 4.788 2.255 49 HG23 THR 7 2HG2 THR 7 8.179 4.777 0.530 50 H GLY 8 H GLY 8 6.389 0.779 -0.764 51 HA2 GLY 8 2HA GLY 8 3.538 0.396 -1.068 52 HA3 GLY 8 1HA GLY 8 4.757 -0.884 -1.099 53 H ALA 9 H ALA 9 5.562 0.510 1.647 54 HA ALA 9 HA ALA 9 4.208 -1.459 3.306 55 HB1 ALA 9 1HB ALA 9 6.057 0.890 3.796 56 HB2 ALA 9 2HB ALA 9 6.473 -0.825 3.787 57 HB3 ALA 9 3HB ALA 9 5.492 -0.163 5.095 58 H GLU 10 H GLU 10 4.046 2.113 3.030 59 HA GLU 10 HA GLU 10 1.919 2.312 5.017 60 HB2 GLU 10 2HB GLU 10 2.330 4.573 4.808 61 HB3 GLU 10 1HB GLU 10 3.821 3.970 4.094 62 HG2 GLU 10 2HG GLU 10 2.926 4.241 1.852 63 HG3 GLU 10 1HG GLU 10 1.337 4.670 2.498 64 H CYS 11 H CYS 11 2.084 2.053 1.503 65 HA CYS 11 HA CYS 11 -0.620 2.888 0.946 66 HB2 CYS 11 2HB CYS 11 1.519 2.528 -0.543 67 HB3 CYS 11 1HB CYS 11 0.921 0.874 -0.675 68 H TYR 12 H TYR 12 0.857 -0.219 1.785 69 HA TYR 12 HA TYR 12 -1.230 -2.011 1.170 70 HB2 TYR 12 2HB TYR 12 1.193 -2.264 2.159 71 HB3 TYR 12 1HB TYR 12 0.374 -2.178 3.714 72 HD1 TYR 12 2HD TYR 12 -1.887 -3.706 3.781 73 HD2 TYR 12 1HD TYR 12 1.553 -4.384 1.302 74 HE1 TYR 12 2HE TYR 12 -2.512 -6.093 3.569 75 HE2 TYR 12 1HE TYR 12 0.931 -6.774 1.095 76 HH TYR 12 HH TYR 12 -2.050 -7.961 1.795 77 H SER 13 H SER 13 -1.115 0.472 3.623 78 HA SER 13 HA SER 13 -3.176 -0.692 5.336 79 HB2 SER 13 2HB SER 13 -2.339 2.202 5.153 80 HB3 SER 13 1HB SER 13 -2.886 1.316 6.573 81 HG SER 13 HG SER 13 -0.973 0.251 6.644 82 H TRP 14 H TRP 14 -3.137 1.537 2.590 83 HA TRP 14 HA TRP 14 -5.906 2.402 2.966 84 HB2 TRP 14 2HB TRP 14 -4.099 3.751 1.911 85 HB3 TRP 14 1HB TRP 14 -4.018 2.575 0.594 86 HD1 TRP 14 HD TRP 14 -6.824 4.635 2.314 87 HE1 TRP 14 1HE TRP 14 -8.401 5.517 0.474 88 HE3 TRP 14 3HE TRP 14 -4.580 2.625 -1.810 89 HZ2 TRP 14 2HZ TRP 14 -8.673 5.386 -2.373 90 HZ3 TRP 14 3HZ TRP 14 -5.517 3.017 -4.069 91 HH2 TRP 14 HH TRP 14 -7.559 4.394 -4.356 92 H CYS 15 H CYS 15 -4.252 0.321 0.561 93 HA CYS 15 HA CYS 15 -6.353 -0.486 -1.041 94 HB2 CYS 15 2HB CYS 15 -5.041 -2.548 -1.327 95 HB3 CYS 15 1HB CYS 15 -3.963 -1.157 -1.185 96 H ILE 16 H ILE 16 -5.704 -1.608 2.281 97 HA ILE 16 HA ILE 16 -7.573 -3.784 2.284 98 HB ILE 16 HB ILE 16 -6.779 -2.029 4.616 99 HG12 ILE 16 2HG1 ILE 16 -5.105 -3.515 2.779 100 HG13 ILE 16 1HG1 ILE 16 -4.630 -2.520 4.149 101 HG21 ILE 16 1HG2 ILE 16 -7.356 -5.001 4.409 102 HG22 ILE 16 2HG2 ILE 16 -8.497 -3.793 4.999 103 HG23 ILE 16 3HG2 ILE 16 -7.006 -4.108 5.888 104 HD11 ILE 16 3HD1 ILE 16 -3.770 -4.686 4.626 105 HD12 ILE 16 1HD1 ILE 16 -5.268 -5.474 4.130 106 HD13 ILE 16 2HD1 ILE 16 -5.218 -4.539 5.623 107 H LYS 17 H LYS 17 -8.089 -0.343 2.413 108 HA LYS 17 HA LYS 17 -10.430 -0.060 3.917 109 HB2 LYS 17 2HB LYS 17 -8.949 1.457 2.181 110 HB3 LYS 17 1HB LYS 17 -10.442 1.253 1.267 111 HG2 LYS 17 2HG LYS 17 -10.454 2.093 4.170 112 HG3 LYS 17 1HG LYS 17 -10.327 3.268 2.861 113 HD2 LYS 17 2HD LYS 17 -12.418 2.215 1.867 114 HD3 LYS 17 1HD LYS 17 -12.591 1.331 3.384 115 HE2 LYS 17 2HE LYS 17 -12.477 4.360 3.117 116 HE3 LYS 17 1HE LYS 17 -13.929 3.402 3.468 117 HZ1 LYS 17 3HZ LYS 17 -12.877 4.203 5.510 118 HZ2 LYS 17 1HZ LYS 17 -11.438 3.405 5.093 119 HZ3 LYS 17 2HZ LYS 17 -12.842 2.505 5.421 120 H GLN 18 H GLN 18 -9.982 -1.758 0.898 121 HA GLN 18 HA GLN 18 -12.852 -1.901 0.272 122 HB2 GLN 18 2HB GLN 18 -10.591 -3.547 -0.872 123 HB3 GLN 18 1HB GLN 18 -12.080 -3.050 -1.670 124 HG2 GLN 18 2HG GLN 18 -9.658 -1.381 -0.989 125 HG3 GLN 18 1HG GLN 18 -10.452 -1.583 -2.554 126 HE21 GLN 18 1HE2 GLN 18 -9.925 0.935 -0.896 127 HE22 GLN 18 2HE2 GLN 18 -11.449 1.668 -0.742 128 H ASP 19 H ASP 19 -11.054 -3.281 2.632 129 HA ASP 19 HA ASP 19 -11.087 -5.354 3.787 130 HB2 ASP 19 2HB ASP 19 -13.382 -5.766 4.524 131 HB3 ASP 19 1HB ASP 19 -13.107 -4.026 4.394 132 H LEU 20 H LEU 20 -10.510 -5.907 1.017 133 HA LEU 20 HA LEU 20 -12.318 -7.984 0.035 134 HB2 LEU 20 2HB LEU 20 -9.415 -7.405 -0.630 135 HB3 LEU 20 1HB LEU 20 -10.548 -8.308 -1.628 136 HG LEU 20 HG LEU 20 -10.535 -5.358 -1.014 137 HD11 LEU 20 1HD1 LEU 20 -9.648 -5.310 -3.080 138 HD12 LEU 20 2HD1 LEU 20 -11.159 -5.973 -3.702 139 HD13 LEU 20 3HD1 LEU 20 -9.846 -7.055 -3.239 140 HD21 LEU 20 3HD2 LEU 20 -12.796 -6.973 -2.234 141 HD22 LEU 20 1HD2 LEU 20 -12.749 -5.216 -2.076 142 HD23 LEU 20 2HD2 LEU 20 -12.830 -6.230 -0.635 143 H SER 21 H SER 21 -8.986 -8.042 1.312 144 HA SER 21 HA SER 21 -9.249 -10.096 3.204 145 HB2 SER 21 2HB SER 21 -8.228 -11.912 1.497 146 HB3 SER 21 1HB SER 21 -9.964 -11.720 1.726 147 HG SER 21 HG SER 21 -8.309 -10.660 -0.313 148 H LYS 22 H LYS 22 -7.219 -10.445 4.174 149 HA LYS 22 HA LYS 22 -5.081 -8.703 3.801 150 HB2 LYS 22 2HB LYS 22 -3.796 -10.380 5.061 151 HB3 LYS 22 1HB LYS 22 -5.442 -10.292 5.687 152 HG2 LYS 22 2HG LYS 22 -5.422 -12.552 5.419 153 HG3 LYS 22 1HG LYS 22 -5.725 -12.174 3.724 154 HD2 LYS 22 2HD LYS 22 -3.815 -13.295 3.274 155 HD3 LYS 22 1HD LYS 22 -2.967 -11.909 3.960 156 HE2 LYS 22 2HE LYS 22 -2.260 -14.052 5.032 157 HE3 LYS 22 1HE LYS 22 -3.044 -12.971 6.200 158 HZ1 LYS 22 3HZ LYS 22 -4.897 -14.591 4.710 159 HZ2 LYS 22 1HZ LYS 22 -4.803 -14.318 6.381 160 HZ3 LYS 22 2HZ LYS 22 -3.832 -15.513 5.661 161 H ASP 23 H ASP 23 -5.911 -11.494 1.877 162 HA ASP 23 HA ASP 23 -3.276 -11.673 0.578 163 HB2 ASP 23 2HB ASP 23 -4.291 -13.540 -0.550 164 HB3 ASP 23 1HB ASP 23 -4.909 -13.573 1.102 165 H TRP 24 H TRP 24 -6.183 -9.876 0.188 166 HA TRP 24 HA TRP 24 -6.166 -9.534 -2.670 167 HB2 TRP 24 2HB TRP 24 -8.122 -8.573 -2.071 168 HB3 TRP 24 1HB TRP 24 -7.669 -8.762 -0.379 169 HD1 TRP 24 HD TRP 24 -7.374 -6.606 0.952 170 HE1 TRP 24 1HE TRP 24 -7.140 -4.104 0.374 171 HE3 TRP 24 3HE TRP 24 -7.087 -6.906 -4.129 172 HZ2 TRP 24 2HZ TRP 24 -6.866 -2.449 -1.945 173 HZ3 TRP 24 3HZ TRP 24 -6.840 -4.855 -5.503 174 HH2 TRP 24 HH TRP 24 -6.731 -2.629 -4.416 175 H CYS 25 H CYS 25 -4.878 -7.496 -0.016 176 HA CYS 25 HA CYS 25 -3.648 -5.603 -1.858 177 HB2 CYS 25 2HB CYS 25 -4.479 -5.292 0.574 178 HB3 CYS 25 1HB CYS 25 -2.940 -6.028 1.043 179 H CYS 26 H CYS 26 -2.618 -8.496 -0.140 180 HA CYS 26 HA CYS 26 0.141 -8.362 -0.120 181 HB2 CYS 26 2HB CYS 26 -1.916 -10.459 -0.596 182 HB3 CYS 26 1HB CYS 26 -0.250 -10.898 -0.972 183 H ASP 27 H ASP 27 -1.832 -9.324 -2.962 184 HA ASP 27 HA ASP 27 0.547 -9.319 -4.696 185 HB2 ASP 27 2HB ASP 27 -2.045 -10.475 -4.609 186 HB3 ASP 27 1HB ASP 27 -1.967 -9.503 -6.079 187 H PHE 28 H PHE 28 -2.005 -7.079 -3.848 188 HA PHE 28 HA PHE 28 -2.029 -5.493 -6.241 189 HB2 PHE 28 2HB PHE 28 -3.797 -5.202 -4.719 190 HB3 PHE 28 1HB PHE 28 -2.706 -5.109 -3.335 191 HD1 PHE 28 1HD PHE 28 -3.457 -3.302 -6.539 192 HD2 PHE 28 2HD PHE 28 -2.199 -3.021 -2.442 193 HE1 PHE 28 1HE PHE 28 -3.421 -0.829 -6.720 194 HE2 PHE 28 2HE PHE 28 -2.163 -0.551 -2.620 195 HZ PHE 28 HZ PHE 28 -2.775 0.549 -4.761 196 H VAL 29 H VAL 29 -0.519 -4.590 -3.103 197 HA VAL 29 HA VAL 29 1.142 -2.567 -4.317 198 HB VAL 29 HB VAL 29 0.409 -2.523 -1.976 199 HG11 VAL 29 1HG1 VAL 29 2.333 -4.692 -1.247 200 HG12 VAL 29 2HG1 VAL 29 0.748 -5.152 -1.868 201 HG13 VAL 29 3HG1 VAL 29 0.870 -4.156 -0.418 202 HG21 VAL 29 3HG2 VAL 29 3.412 -2.912 -2.072 203 HG22 VAL 29 1HG2 VAL 29 2.503 -1.879 -0.967 204 HG23 VAL 29 2HG2 VAL 29 2.599 -1.469 -2.680 205 H LYS 30 H LYS 30 1.493 -6.002 -3.842 206 HA LYS 30 HA LYS 30 4.400 -6.077 -4.133 207 HB2 LYS 30 2HB LYS 30 3.335 -7.867 -2.972 208 HB3 LYS 30 1HB LYS 30 2.120 -8.061 -4.236 209 HG2 LYS 30 2HG LYS 30 4.796 -8.357 -5.322 210 HG3 LYS 30 1HG LYS 30 4.522 -9.489 -3.998 211 HD2 LYS 30 2HD LYS 30 3.207 -10.760 -5.306 212 HD3 LYS 30 1HD LYS 30 2.165 -9.377 -5.644 213 HE2 LYS 30 2HE LYS 30 3.782 -8.647 -7.417 214 HE3 LYS 30 1HE LYS 30 4.697 -10.141 -7.138 215 HZ1 LYS 30 3HZ LYS 30 3.061 -11.424 -7.991 216 HZ2 LYS 30 1HZ LYS 30 2.674 -10.012 -8.846 217 HZ3 LYS 30 2HZ LYS 30 1.814 -10.412 -7.436 218 H ASP 31 H ASP 31 1.625 -6.083 -6.277 219 HA ASP 31 HA ASP 31 2.930 -7.147 -8.621 220 HB2 ASP 31 2HB ASP 31 0.498 -7.072 -8.276 221 HB3 ASP 31 1HB ASP 31 0.544 -5.309 -8.237 222 H ILE 32 H ILE 32 2.922 -4.004 -7.095 223 HA ILE 32 HA ILE 32 3.932 -2.651 -9.527 224 HB ILE 32 HB ILE 32 3.908 -0.675 -7.930 225 HG12 ILE 32 2HG1 ILE 32 2.481 -2.576 -6.058 226 HG13 ILE 32 1HG1 ILE 32 4.200 -2.215 -5.892 227 HG21 ILE 32 1HG2 ILE 32 1.236 -1.996 -7.740 228 HG22 ILE 32 2HG2 ILE 32 1.912 -1.741 -9.349 229 HG23 ILE 32 3HG2 ILE 32 1.648 -0.367 -8.276 230 HD11 ILE 32 3HD1 ILE 32 3.475 0.269 -5.951 231 HD12 ILE 32 1HD1 ILE 32 3.150 -0.641 -4.476 232 HD13 ILE 32 2HD1 ILE 32 1.852 -0.341 -5.630 233 H ARG 33 H ARG 33 5.473 -4.816 -8.110 234 HA ARG 33 HA ARG 33 7.658 -5.205 -7.276 235 HB2 ARG 33 2HB ARG 33 7.771 -3.065 -9.390 236 HB3 ARG 33 1HB ARG 33 9.258 -3.649 -8.640 237 HG2 ARG 33 2HG ARG 33 7.196 -5.496 -9.867 238 HG3 ARG 33 1HG ARG 33 8.580 -4.868 -10.763 239 HD2 ARG 33 2HD ARG 33 10.134 -6.044 -9.434 240 HD3 ARG 33 1HD ARG 33 8.970 -6.264 -8.112 241 HE ARG 33 HE ARG 33 8.058 -8.106 -9.288 242 HH11 ARG 33 1HH2 ARG 33 10.028 -6.118 -11.312 243 HH12 ARG 33 2HH2 ARG 33 9.950 -7.197 -12.664 244 HH21 ARG 33 1HH1 ARG 33 7.951 -9.518 -11.045 245 HH22 ARG 33 2HH1 ARG 33 8.776 -9.117 -12.514 246 H MET 34 H MET 34 6.099 -3.327 -5.600 247 HA MET 34 HA MET 34 7.988 -1.190 -4.847 248 HB2 MET 34 2HB MET 34 5.217 -2.075 -4.214 249 HB3 MET 34 1HB MET 34 6.063 -1.190 -2.944 250 HG2 MET 34 2HG MET 34 5.720 -0.249 -5.808 251 HG3 MET 34 1HG MET 34 4.814 0.352 -4.416 252 HE1 MET 34 3HE MET 34 5.384 2.565 -3.536 253 HE2 MET 34 1HE MET 34 5.521 2.672 -5.297 254 HE3 MET 34 2HE MET 34 6.706 3.470 -4.267 255 H ASN 35 H ASN 35 8.060 -1.121 -2.173 256 HA ASN 35 HA ASN 35 9.321 -3.731 -1.407 257 HB2 ASN 35 2HB ASN 35 10.510 -2.152 0.258 258 HB3 ASN 35 1HB ASN 35 10.934 -1.983 -1.446 259 HD21 ASN 35 1HD2 ASN 35 10.250 -0.128 1.204 260 HD22 ASN 35 2HD2 ASN 35 9.563 1.232 0.437 261 HA PRO 36 HA PRO 36 5.650 -3.435 1.297 262 HB2 PRO 36 2HB PRO 36 5.254 -6.139 1.426 263 HB3 PRO 36 1HB PRO 36 4.634 -5.133 0.101 264 HG2 PRO 36 2HG PRO 36 7.019 -6.904 0.176 265 HG3 PRO 36 1HG PRO 36 5.879 -6.598 -1.143 266 HD2 PRO 36 2HD PRO 36 8.371 -5.471 -0.977 267 HD3 PRO 36 1HD PRO 36 7.009 -4.748 -1.859 268 HA PRO 37 HA PRO 37 7.657 -4.498 5.064 269 HB2 PRO 37 2HB PRO 37 5.623 -5.490 6.599 270 HB3 PRO 37 1HB PRO 37 5.764 -3.771 6.184 271 HG2 PRO 37 2HG PRO 37 3.998 -5.858 5.025 272 HG3 PRO 37 1HG PRO 37 3.679 -4.143 5.314 273 HD2 PRO 37 2HD PRO 37 4.291 -5.215 2.858 274 HD3 PRO 37 1HD PRO 37 4.553 -3.513 3.307 275 H ALA 38 H ALA 38 8.428 -6.328 6.371 276 HA ALA 38 HA ALA 38 7.997 -8.965 5.016 277 HB1 ALA 38 1HB ALA 38 10.273 -8.297 4.881 278 HB2 ALA 38 2HB ALA 38 10.238 -9.416 6.244 279 HB3 ALA 38 3HB ALA 38 10.272 -7.677 6.532 280 H ASP 39 H ASP 39 5.962 -8.787 6.515 281 HA ASP 39 HA ASP 39 6.287 -10.633 8.706 282 HB2 ASP 39 2HB ASP 39 6.851 -7.888 9.211 283 HB3 ASP 39 1HB ASP 39 5.305 -8.240 9.986 284 H LYS 40 H LYS 40 4.387 -8.095 7.151 285 HA LYS 40 HA LYS 40 1.823 -9.196 8.101 286 HB2 LYS 40 2HB LYS 40 2.195 -6.776 7.850 287 HB3 LYS 40 1HB LYS 40 2.593 -6.999 6.146 288 HG2 LYS 40 2HG LYS 40 0.320 -6.325 6.138 289 HG3 LYS 40 1HG LYS 40 0.261 -8.076 5.928 290 HD2 LYS 40 2HD LYS 40 -0.339 -8.437 8.198 291 HD3 LYS 40 1HD LYS 40 0.109 -6.795 8.659 292 HE2 LYS 40 2HE LYS 40 -2.352 -7.013 8.496 293 HE3 LYS 40 1HE LYS 40 -1.748 -5.917 7.238 294 HZ1 LYS 40 3HZ LYS 40 -3.245 -7.605 6.316 295 HZ2 LYS 40 1HZ LYS 40 -2.226 -8.832 6.890 296 HZ3 LYS 40 2HZ LYS 40 -1.672 -7.761 5.692 297 H CYS 41 H CYS 41 3.796 -9.105 5.152 298 HA CYS 41 HA CYS 41 2.295 -11.413 4.078 299 HB2 CYS 41 2HB CYS 41 1.041 -9.336 3.438 300 HB3 CYS 41 1HB CYS 41 2.489 -8.770 2.596 301 HA PRO 42 HA PRO 42 6.813 -11.197 3.059 302 HB2 PRO 42 2HB PRO 42 7.411 -13.713 3.951 303 HB3 PRO 42 1HB PRO 42 7.429 -12.285 5.004 304 HG2 PRO 42 2HG PRO 42 5.362 -14.402 4.722 305 HG3 PRO 42 1HG PRO 42 5.911 -13.547 6.170 306 HD2 PRO 42 2HD PRO 42 3.585 -12.972 4.842 307 HD3 PRO 42 1HD PRO 42 4.483 -11.795 5.831 Start of MODEL 8 1 H1 ILE 1 H ILE 1 3.262 12.181 -11.097 2 HA ILE 1 HA ILE 1 4.853 12.789 -8.671 3 HB ILE 1 HB ILE 1 2.069 13.141 -9.680 4 HG12 ILE 1 2HG1 ILE 1 2.583 15.299 -8.202 5 HG13 ILE 1 1HG1 ILE 1 4.245 14.742 -8.400 6 HG21 ILE 1 1HG2 ILE 1 1.281 12.191 -7.721 7 HG22 ILE 1 2HG2 ILE 1 1.575 13.835 -7.155 8 HG23 ILE 1 3HG2 ILE 1 2.753 12.564 -6.825 9 HD11 ILE 1 3HD1 ILE 1 2.516 14.801 -10.832 10 HD12 ILE 1 1HD1 ILE 1 4.244 15.113 -10.676 11 HD13 ILE 1 2HD1 ILE 1 3.078 16.347 -10.197 12 HA PRO 2 HA PRO 2 4.310 8.562 -7.395 13 HB2 PRO 2 2HB PRO 2 5.618 8.800 -5.006 14 HB3 PRO 2 1HB PRO 2 6.465 8.703 -6.565 15 HG2 PRO 2 2HG PRO 2 5.941 11.053 -4.840 16 HG3 PRO 2 1HG PRO 2 7.317 10.708 -5.896 17 HD2 PRO 2 2HD PRO 2 5.222 12.428 -6.493 18 HD3 PRO 2 1HD PRO 2 6.337 11.713 -7.680 19 H TYR 3 H TYR 3 2.343 7.905 -6.600 20 HA TYR 3 HA TYR 3 0.842 9.545 -4.693 21 HB2 TYR 3 2HB TYR 3 -0.444 8.530 -6.385 22 HB3 TYR 3 1HB TYR 3 0.437 7.003 -6.252 23 HD1 TYR 3 1HD TYR 3 -1.310 9.226 -3.772 24 HD2 TYR 3 2HD TYR 3 -0.946 5.302 -5.482 25 HE1 TYR 3 1HE TYR 3 -3.006 8.372 -2.176 26 HE2 TYR 3 2HE TYR 3 -2.644 4.450 -3.889 27 HH TYR 3 HH TYR 3 -4.320 5.132 -2.451 28 H CYS 4 H CYS 4 1.683 6.102 -4.663 29 HA CYS 4 HA CYS 4 1.306 5.745 -1.842 30 HB2 CYS 4 2HB CYS 4 2.848 4.233 -3.969 31 HB3 CYS 4 1HB CYS 4 2.573 3.608 -2.343 32 H GLY 5 H GLY 5 2.798 7.990 -1.738 33 HA2 GLY 5 2HA GLY 5 4.880 8.941 -1.128 34 HA3 GLY 5 1HA GLY 5 4.875 7.589 0.009 35 H GLN 6 H GLN 6 6.482 6.103 -0.207 36 HA GLN 6 HA GLN 6 7.753 5.690 -2.859 37 HB2 GLN 6 2HB GLN 6 8.927 7.005 -0.445 38 HB3 GLN 6 1HB GLN 6 9.981 5.946 -1.390 39 HG2 GLN 6 2HG GLN 6 8.458 7.605 -3.181 40 HG3 GLN 6 1HG GLN 6 9.246 8.625 -1.977 41 HE21 GLN 6 1HE2 GLN 6 11.627 8.502 -1.821 42 HE22 GLN 6 2HE2 GLN 6 12.546 7.884 -3.118 43 H THR 7 H THR 7 6.286 4.264 -0.381 44 HA THR 7 HA THR 7 8.050 1.846 -0.506 45 HB THR 7 HB THR 7 7.732 1.553 1.884 46 HG1 THR 7 1HG THR 7 6.048 2.392 2.774 47 HG21 THR 7 3HG2 THR 7 8.253 4.495 1.712 48 HG22 THR 7 1HG2 THR 7 9.341 3.395 0.867 49 HG23 THR 7 2HG2 THR 7 9.126 3.255 2.611 50 H GLY 8 H GLY 8 6.840 -0.174 -0.161 51 HA2 GLY 8 2HA GLY 8 4.099 0.002 -1.224 52 HA3 GLY 8 1HA GLY 8 5.016 -1.484 -0.960 53 H ALA 9 H ALA 9 5.629 -0.280 1.843 54 HA ALA 9 HA ALA 9 3.445 -1.663 3.203 55 HB1 ALA 9 1HB ALA 9 5.758 0.003 4.245 56 HB2 ALA 9 2HB ALA 9 5.845 -1.718 3.869 57 HB3 ALA 9 3HB ALA 9 4.809 -1.153 5.179 58 H GLU 10 H GLU 10 4.077 1.615 2.261 59 HA GLU 10 HA GLU 10 2.375 2.814 4.340 60 HB2 GLU 10 2HB GLU 10 3.131 4.848 3.407 61 HB3 GLU 10 1HB GLU 10 4.482 3.751 3.130 62 HG2 GLU 10 2HG GLU 10 3.803 3.387 0.839 63 HG3 GLU 10 1HG GLU 10 2.310 4.299 1.086 64 H CYS 11 H CYS 11 2.065 1.856 0.938 65 HA CYS 11 HA CYS 11 -0.587 3.135 0.700 66 HB2 CYS 11 2HB CYS 11 1.502 2.450 -1.006 67 HB3 CYS 11 1HB CYS 11 0.251 1.269 -1.393 68 H TYR 12 H TYR 12 0.767 -0.137 1.054 69 HA TYR 12 HA TYR 12 -1.362 -1.790 0.441 70 HB2 TYR 12 2HB TYR 12 0.792 -2.557 1.313 71 HB3 TYR 12 1HB TYR 12 0.440 -1.833 2.887 72 HD1 TYR 12 1HD TYR 12 -0.705 -4.422 0.458 73 HD2 TYR 12 2HD TYR 12 -0.871 -2.988 4.506 74 HE1 TYR 12 1HE TYR 12 -1.892 -6.487 1.142 75 HE2 TYR 12 2HE TYR 12 -2.061 -5.053 5.187 76 HH TYR 12 HH TYR 12 -2.964 -7.530 2.793 77 H SER 13 H SER 13 -1.009 0.180 3.394 78 HA SER 13 HA SER 13 -3.196 -0.705 4.898 79 HB2 SER 13 2HB SER 13 -3.231 1.825 5.553 80 HB3 SER 13 1HB SER 13 -1.760 0.901 5.842 81 HG SER 13 HG SER 13 -1.914 3.077 4.498 82 H TRP 14 H TRP 14 -3.222 1.736 2.275 83 HA TRP 14 HA TRP 14 -6.013 2.350 2.431 84 HB2 TRP 14 2HB TRP 14 -4.556 3.822 1.266 85 HB3 TRP 14 1HB TRP 14 -3.876 2.510 0.299 86 HD1 TRP 14 HD TRP 14 -7.386 4.063 0.862 87 HE1 TRP 14 1HE TRP 14 -8.601 4.130 -1.411 88 HE3 TRP 14 3HE TRP 14 -3.830 1.908 -2.103 89 HZ2 TRP 14 2HZ TRP 14 -8.125 3.374 -4.128 90 HZ3 TRP 14 3HZ TRP 14 -4.237 1.594 -4.528 91 HH2 TRP 14 HH TRP 14 -6.378 2.323 -5.542 92 H CYS 15 H CYS 15 -4.321 0.274 0.035 93 HA CYS 15 HA CYS 15 -6.453 -0.765 -1.377 94 HB2 CYS 15 2HB CYS 15 -3.930 -1.228 -1.495 95 HB3 CYS 15 1HB CYS 15 -4.217 -2.481 -0.286 96 H ILE 16 H ILE 16 -5.521 -1.610 1.927 97 HA ILE 16 HA ILE 16 -7.274 -3.898 2.170 98 HB ILE 16 HB ILE 16 -6.078 -2.046 4.256 99 HG12 ILE 16 2HG1 ILE 16 -4.482 -3.124 2.592 100 HG13 ILE 16 1HG1 ILE 16 -4.196 -3.552 4.279 101 HG21 ILE 16 1HG2 ILE 16 -6.327 -3.974 5.756 102 HG22 ILE 16 2HG2 ILE 16 -7.031 -4.922 4.446 103 HG23 ILE 16 3HG2 ILE 16 -7.897 -3.526 5.089 104 HD11 ILE 16 3HD1 ILE 16 -5.100 -5.701 4.016 105 HD12 ILE 16 1HD1 ILE 16 -4.250 -5.454 2.490 106 HD13 ILE 16 2HD1 ILE 16 -6.000 -5.248 2.568 107 H LYS 17 H LYS 17 -7.872 -0.509 2.127 108 HA LYS 17 HA LYS 17 -9.934 -0.023 3.913 109 HB2 LYS 17 2HB LYS 17 -9.285 1.729 2.504 110 HB3 LYS 17 1HB LYS 17 -9.352 0.722 1.060 111 HG2 LYS 17 2HG LYS 17 -11.220 2.163 0.890 112 HG3 LYS 17 1HG LYS 17 -11.898 0.637 1.437 113 HD2 LYS 17 2HD LYS 17 -11.397 1.700 3.835 114 HD3 LYS 17 1HD LYS 17 -11.558 3.203 2.927 115 HE2 LYS 17 2HE LYS 17 -13.661 1.286 2.241 116 HE3 LYS 17 1HE LYS 17 -13.675 1.723 3.961 117 HZ1 LYS 17 3HZ LYS 17 -13.834 3.970 3.480 118 HZ2 LYS 17 1HZ LYS 17 -14.843 3.285 2.302 119 HZ3 LYS 17 2HZ LYS 17 -13.272 3.784 1.888 120 H GLN 18 H GLN 18 -10.464 -1.330 0.601 121 HA GLN 18 HA GLN 18 -13.209 -2.022 0.985 122 HB2 GLN 18 2HB GLN 18 -12.673 -3.542 -1.000 123 HB3 GLN 18 1HB GLN 18 -12.225 -1.851 -1.211 124 HG2 GLN 18 2HG GLN 18 -9.998 -3.028 0.025 125 HG3 GLN 18 1HG GLN 18 -10.522 -4.203 -1.182 126 HE21 GLN 18 1HE2 GLN 18 -10.463 -0.581 -1.151 127 HE22 GLN 18 2HE2 GLN 18 -9.631 -0.446 -2.625 128 H ASP 19 H ASP 19 -10.311 -3.386 2.150 129 HA ASP 19 HA ASP 19 -9.765 -5.414 3.218 130 HB2 ASP 19 2HB ASP 19 -11.345 -5.770 5.100 131 HB3 ASP 19 1HB ASP 19 -10.951 -4.064 4.871 132 H LEU 20 H LEU 20 -10.472 -6.313 0.766 133 HA LEU 20 HA LEU 20 -12.758 -8.151 0.860 134 HB2 LEU 20 2HB LEU 20 -10.382 -8.367 -0.991 135 HB3 LEU 20 1HB LEU 20 -12.074 -8.716 -1.336 136 HG LEU 20 HG LEU 20 -10.749 -6.022 -1.047 137 HD11 LEU 20 1HD1 LEU 20 -10.962 -7.409 -3.255 138 HD12 LEU 20 2HD1 LEU 20 -11.387 -5.698 -3.278 139 HD13 LEU 20 3HD1 LEU 20 -12.655 -6.922 -3.192 140 HD21 LEU 20 3HD2 LEU 20 -13.411 -6.787 -0.236 141 HD22 LEU 20 1HD2 LEU 20 -13.502 -5.708 -1.628 142 HD23 LEU 20 2HD2 LEU 20 -12.652 -5.199 -0.172 143 H SER 21 H SER 21 -9.350 -8.199 1.592 144 HA SER 21 HA SER 21 -9.364 -10.438 3.306 145 HB2 SER 21 2HB SER 21 -9.364 -12.235 1.919 146 HB3 SER 21 1HB SER 21 -9.757 -11.136 0.603 147 HG SER 21 HG SER 21 -7.621 -12.556 0.801 148 H LYS 22 H LYS 22 -7.446 -10.147 4.429 149 HA LYS 22 HA LYS 22 -5.481 -8.257 3.843 150 HB2 LYS 22 2HB LYS 22 -4.052 -9.715 5.359 151 HB3 LYS 22 1HB LYS 22 -5.656 -9.343 5.994 152 HG2 LYS 22 2HG LYS 22 -5.875 -11.688 4.378 153 HG3 LYS 22 1HG LYS 22 -4.521 -11.914 5.486 154 HD2 LYS 22 2HD LYS 22 -7.323 -11.062 6.275 155 HD3 LYS 22 1HD LYS 22 -6.626 -12.663 6.525 156 HE2 LYS 22 2HE LYS 22 -4.818 -11.600 7.917 157 HE3 LYS 22 1HE LYS 22 -5.688 -10.060 7.776 158 HZ1 LYS 22 3HZ LYS 22 -6.204 -11.910 9.656 159 HZ2 LYS 22 1HZ LYS 22 -7.338 -12.333 8.468 160 HZ3 LYS 22 2HZ LYS 22 -7.331 -10.761 9.112 161 H ASP 23 H ASP 23 -5.874 -11.441 2.454 162 HA ASP 23 HA ASP 23 -3.167 -11.423 1.250 163 HB2 ASP 23 2HB ASP 23 -3.941 -13.536 2.031 164 HB3 ASP 23 1HB ASP 23 -5.536 -13.304 1.313 165 H TRP 24 H TRP 24 -6.213 -10.149 0.558 166 HA TRP 24 HA TRP 24 -6.296 -10.537 -2.319 167 HB2 TRP 24 2HB TRP 24 -8.104 -9.933 -0.490 168 HB3 TRP 24 1HB TRP 24 -7.603 -8.275 -0.832 169 HD1 TRP 24 HD TRP 24 -9.977 -10.781 -1.952 170 HE1 TRP 24 1HE TRP 24 -10.901 -10.229 -4.294 171 HE3 TRP 24 3HE TRP 24 -6.629 -7.208 -3.401 172 HZ2 TRP 24 2HZ TRP 24 -10.303 -8.496 -6.489 173 HZ3 TRP 24 3HZ TRP 24 -6.831 -6.122 -5.619 174 HH2 TRP 24 HH TRP 24 -8.662 -6.761 -7.165 175 H CYS 25 H CYS 25 -5.352 -7.802 -0.193 176 HA CYS 25 HA CYS 25 -4.358 -6.304 -2.552 177 HB2 CYS 25 2HB CYS 25 -4.906 -5.792 0.352 178 HB3 CYS 25 1HB CYS 25 -3.812 -4.703 -0.508 179 H CYS 26 H CYS 26 -3.137 -8.465 -0.174 180 HA CYS 26 HA CYS 26 -0.529 -7.574 0.345 181 HB2 CYS 26 2HB CYS 26 -1.553 -9.574 1.309 182 HB3 CYS 26 1HB CYS 26 -1.592 -10.349 -0.276 183 H ASP 27 H ASP 27 -1.788 -9.165 -2.581 184 HA ASP 27 HA ASP 27 0.868 -9.244 -3.852 185 HB2 ASP 27 2HB ASP 27 -1.757 -10.407 -4.150 186 HB3 ASP 27 1HB ASP 27 -1.240 -9.721 -5.691 187 H PHE 28 H PHE 28 -1.904 -7.117 -3.755 188 HA PHE 28 HA PHE 28 -1.659 -5.742 -6.215 189 HB2 PHE 28 2HB PHE 28 -3.549 -5.220 -4.977 190 HB3 PHE 28 1HB PHE 28 -2.665 -5.190 -3.450 191 HD1 PHE 28 2HD PHE 28 -2.937 -3.330 -6.697 192 HD2 PHE 28 1HD PHE 28 -2.096 -3.138 -2.491 193 HE1 PHE 28 2HE PHE 28 -2.750 -0.860 -6.847 194 HE2 PHE 28 1HE PHE 28 -1.907 -0.671 -2.639 195 HZ PHE 28 HZ PHE 28 -2.235 0.470 -4.818 196 H VAL 29 H VAL 29 -0.386 -4.548 -3.074 197 HA VAL 29 HA VAL 29 1.267 -2.519 -4.191 198 HB VAL 29 HB VAL 29 0.551 -2.621 -1.855 199 HG11 VAL 29 1HG1 VAL 29 2.506 -4.808 -1.270 200 HG12 VAL 29 2HG1 VAL 29 0.938 -5.253 -1.945 201 HG13 VAL 29 3HG1 VAL 29 1.023 -4.373 -0.419 202 HG21 VAL 29 3HG2 VAL 29 3.122 -1.992 -2.745 203 HG22 VAL 29 1HG2 VAL 29 3.396 -2.981 -1.311 204 HG23 VAL 29 2HG2 VAL 29 2.414 -1.520 -1.200 205 H LYS 30 H LYS 30 1.862 -5.959 -3.682 206 HA LYS 30 HA LYS 30 4.737 -5.849 -3.998 207 HB2 LYS 30 2HB LYS 30 3.921 -7.757 -2.928 208 HB3 LYS 30 1HB LYS 30 2.548 -7.904 -4.023 209 HG2 LYS 30 2HG LYS 30 5.255 -8.202 -5.230 210 HG3 LYS 30 1HG LYS 30 4.700 -9.514 -4.190 211 HD2 LYS 30 2HD LYS 30 2.569 -9.584 -5.516 212 HD3 LYS 30 1HD LYS 30 3.268 -8.397 -6.617 213 HE2 LYS 30 2HE LYS 30 5.275 -10.265 -6.521 214 HE3 LYS 30 1HE LYS 30 3.829 -11.287 -6.386 215 HZ1 LYS 30 3HZ LYS 30 2.869 -9.936 -8.236 216 HZ2 LYS 30 1HZ LYS 30 4.187 -10.901 -8.690 217 HZ3 LYS 30 2HZ LYS 30 4.400 -9.232 -8.453 218 H ASP 31 H ASP 31 2.035 -5.949 -6.239 219 HA ASP 31 HA ASP 31 3.652 -6.772 -8.540 220 HB2 ASP 31 2HB ASP 31 0.845 -6.052 -7.884 221 HB3 ASP 31 1HB ASP 31 1.341 -5.787 -9.557 222 H ILE 32 H ILE 32 2.910 -3.763 -6.960 223 HA ILE 32 HA ILE 32 3.481 -2.142 -9.366 224 HB ILE 32 HB ILE 32 3.050 -0.276 -7.731 225 HG12 ILE 32 2HG1 ILE 32 2.309 -2.462 -5.780 226 HG13 ILE 32 1HG1 ILE 32 3.910 -1.721 -5.769 227 HG21 ILE 32 1HG2 ILE 32 0.913 -0.563 -8.352 228 HG22 ILE 32 2HG2 ILE 32 0.710 -1.811 -7.123 229 HG23 ILE 32 3HG2 ILE 32 1.261 -2.248 -8.740 230 HD11 ILE 32 3HD1 ILE 32 2.468 0.524 -5.809 231 HD12 ILE 32 1HD1 ILE 32 2.829 -0.306 -4.295 232 HD13 ILE 32 2HD1 ILE 32 1.261 -0.527 -5.070 233 H ARG 33 H ARG 33 5.642 -3.866 -8.328 234 HA ARG 33 HA ARG 33 7.905 -3.719 -7.594 235 HB2 ARG 33 2HB ARG 33 7.180 -1.871 -9.718 236 HB3 ARG 33 1HB ARG 33 8.565 -1.274 -8.808 237 HG2 ARG 33 2HG ARG 33 9.477 -2.652 -10.528 238 HG3 ARG 33 1HG ARG 33 9.564 -3.610 -9.051 239 HD2 ARG 33 2HD ARG 33 8.411 -5.230 -10.135 240 HD3 ARG 33 1HD ARG 33 7.012 -4.145 -10.151 241 HE ARG 33 HE ARG 33 8.961 -4.495 -12.359 242 HH11 ARG 33 1HH2 ARG 33 6.256 -2.790 -11.003 243 HH12 ARG 33 2HH2 ARG 33 5.776 -2.116 -12.518 244 HH21 ARG 33 1HH1 ARG 33 8.324 -3.606 -14.320 245 HH22 ARG 33 2HH1 ARG 33 6.935 -2.573 -14.385 246 H MET 34 H MET 34 6.958 -3.168 -5.305 247 HA MET 34 HA MET 34 8.068 -0.506 -4.493 248 HB2 MET 34 2HB MET 34 5.386 -1.774 -3.977 249 HB3 MET 34 1HB MET 34 6.049 -0.622 -2.818 250 HG2 MET 34 2HG MET 34 5.872 -0.004 -5.772 251 HG3 MET 34 1HG MET 34 4.551 0.355 -4.655 252 HE1 MET 34 3HE MET 34 6.472 2.222 -6.579 253 HE2 MET 34 1HE MET 34 6.514 3.698 -5.604 254 HE3 MET 34 2HE MET 34 5.005 2.809 -5.797 255 H ASN 35 H ASN 35 7.974 -0.594 -1.853 256 HA ASN 35 HA ASN 35 9.416 -3.114 -1.122 257 HB2 ASN 35 2HB ASN 35 9.459 -0.259 -0.105 258 HB3 ASN 35 1HB ASN 35 10.287 -1.577 0.726 259 HD21 ASN 35 1HD2 ASN 35 11.292 -3.057 -1.457 260 HD22 ASN 35 2HD2 ASN 35 12.408 -2.096 -2.319 261 HA PRO 36 HA PRO 36 5.419 -3.266 1.185 262 HB2 PRO 36 2HB PRO 36 5.055 -5.958 0.856 263 HB3 PRO 36 1HB PRO 36 4.516 -4.757 -0.334 264 HG2 PRO 36 2HG PRO 36 6.936 -6.490 -0.361 265 HG3 PRO 36 1HG PRO 36 5.873 -6.015 -1.695 266 HD2 PRO 36 2HD PRO 36 8.307 -4.876 -1.230 267 HD3 PRO 36 1HD PRO 36 6.961 -4.030 -2.027 268 HA PRO 37 HA PRO 37 7.246 -4.833 4.859 269 HB2 PRO 37 2HB PRO 37 5.069 -5.772 6.218 270 HB3 PRO 37 1HB PRO 37 5.384 -4.041 5.980 271 HG2 PRO 37 2HG PRO 37 3.479 -5.829 4.574 272 HG3 PRO 37 1HG PRO 37 3.319 -4.121 5.006 273 HD2 PRO 37 2HD PRO 37 3.934 -5.054 2.484 274 HD3 PRO 37 1HD PRO 37 4.303 -3.419 3.080 275 H ALA 38 H ALA 38 7.995 -6.799 5.811 276 HA ALA 38 HA ALA 38 7.201 -9.285 4.338 277 HB1 ALA 38 1HB ALA 38 9.618 -8.149 4.516 278 HB2 ALA 38 2HB ALA 38 9.431 -9.902 4.494 279 HB3 ALA 38 3HB ALA 38 9.662 -9.060 6.026 280 H ASP 39 H ASP 39 6.765 -7.713 7.278 281 HA ASP 39 HA ASP 39 6.611 -10.267 8.827 282 HB2 ASP 39 2HB ASP 39 6.946 -7.344 9.459 283 HB3 ASP 39 1HB ASP 39 6.338 -8.438 10.702 284 H LYS 40 H LYS 40 4.600 -9.019 6.809 285 HA LYS 40 HA LYS 40 2.234 -9.091 8.657 286 HB2 LYS 40 2HB LYS 40 3.070 -6.872 7.477 287 HB3 LYS 40 1HB LYS 40 2.252 -7.560 6.073 288 HG2 LYS 40 2HG LYS 40 0.721 -6.111 7.359 289 HG3 LYS 40 1HG LYS 40 0.178 -7.790 7.392 290 HD2 LYS 40 2HD LYS 40 0.814 -8.096 9.616 291 HD3 LYS 40 1HD LYS 40 1.996 -6.788 9.562 292 HE2 LYS 40 2HE LYS 40 -0.195 -5.319 9.104 293 HE3 LYS 40 1HE LYS 40 -0.957 -6.647 10.001 294 HZ1 LYS 40 3HZ LYS 40 1.521 -5.278 10.892 295 HZ2 LYS 40 1HZ LYS 40 0.589 -6.389 11.769 296 HZ3 LYS 40 2HZ LYS 40 -0.029 -4.843 11.434 297 H CYS 41 H CYS 41 3.224 -9.470 5.227 298 HA CYS 41 HA CYS 41 1.418 -11.849 5.068 299 HB2 CYS 41 2HB CYS 41 0.207 -9.942 4.166 300 HB3 CYS 41 1HB CYS 41 1.600 -9.477 3.182 301 HA PRO 42 HA PRO 42 5.518 -12.922 3.389 302 HB2 PRO 42 2HB PRO 42 5.369 -15.554 4.116 303 HB3 PRO 42 1HB PRO 42 5.892 -14.274 5.227 304 HG2 PRO 42 2HG PRO 42 3.257 -15.635 5.017 305 HG3 PRO 42 1HG PRO 42 4.140 -15.098 6.453 306 HD2 PRO 42 2HD PRO 42 2.029 -13.739 5.366 307 HD3 PRO 42 1HD PRO 42 3.320 -12.970 6.320 Start of MODEL 9 1 H1 ILE 1 H ILE 1 3.347 15.457 -1.008 2 HA ILE 1 HA ILE 1 0.678 15.746 -1.933 3 HB ILE 1 HB ILE 1 1.715 14.716 -4.031 4 HG12 ILE 1 2HG1 ILE 1 4.296 14.801 -2.479 5 HG13 ILE 1 1HG1 ILE 1 3.317 13.334 -2.489 6 HG21 ILE 1 1HG2 ILE 1 3.663 16.577 -3.899 7 HG22 ILE 1 2HG2 ILE 1 2.700 17.076 -2.507 8 HG23 ILE 1 3HG2 ILE 1 1.962 16.998 -4.106 9 HD11 ILE 1 3HD1 ILE 1 3.561 13.034 -4.807 10 HD12 ILE 1 1HD1 ILE 1 5.154 13.615 -4.318 11 HD13 ILE 1 2HD1 ILE 1 4.006 14.721 -5.070 12 HA PRO 2 HA PRO 2 -1.107 11.770 -1.387 13 HB2 PRO 2 2HB PRO 2 -2.649 11.543 -3.635 14 HB3 PRO 2 1HB PRO 2 -3.050 12.638 -2.295 15 HG2 PRO 2 2HG PRO 2 -1.793 13.244 -4.922 16 HG3 PRO 2 1HG PRO 2 -2.965 14.185 -3.986 17 HD2 PRO 2 2HD PRO 2 -0.288 14.741 -4.079 18 HD3 PRO 2 1HD PRO 2 -1.346 15.181 -2.718 19 H TYR 3 H TYR 3 1.210 10.894 -1.821 20 HA TYR 3 HA TYR 3 1.297 9.402 -4.423 21 HB2 TYR 3 2HB TYR 3 3.084 11.172 -3.288 22 HB3 TYR 3 1HB TYR 3 3.742 9.610 -2.791 23 HD1 TYR 3 1HD TYR 3 1.857 10.538 -5.885 24 HD2 TYR 3 2HD TYR 3 5.584 9.221 -4.205 25 HE1 TYR 3 1HE TYR 3 2.761 10.186 -8.168 26 HE2 TYR 3 2HE TYR 3 6.489 8.871 -6.488 27 HH TYR 3 HH TYR 3 5.373 10.172 -9.125 28 H CYS 4 H CYS 4 2.398 7.214 -4.215 29 HA CYS 4 HA CYS 4 1.266 5.751 -1.918 30 HB2 CYS 4 2HB CYS 4 1.149 5.041 -4.337 31 HB3 CYS 4 1HB CYS 4 2.894 4.791 -4.289 32 H GLY 5 H GLY 5 3.792 7.590 -1.805 33 HA2 GLY 5 2HA GLY 5 5.903 7.534 -0.771 34 HA3 GLY 5 1HA GLY 5 5.200 6.250 0.219 35 H GLN 6 H GLN 6 7.702 5.713 -0.109 36 HA GLN 6 HA GLN 6 8.081 4.127 -2.612 37 HB2 GLN 6 2HB GLN 6 9.934 5.166 -0.446 38 HB3 GLN 6 1HB GLN 6 10.476 4.171 -1.801 39 HG2 GLN 6 2HG GLN 6 9.694 5.839 -3.396 40 HG3 GLN 6 1HG GLN 6 9.012 6.811 -2.093 41 HE21 GLN 6 1HE2 GLN 6 10.361 8.645 -2.063 42 HE22 GLN 6 2HE2 GLN 6 12.060 8.578 -1.917 43 H THR 7 H THR 7 6.344 3.171 -0.441 44 HA THR 7 HA THR 7 7.707 0.584 0.073 45 HB THR 7 HB THR 7 6.534 1.183 2.521 46 HG1 THR 7 1HG THR 7 7.725 3.294 2.831 47 HG21 THR 7 3HG2 THR 7 8.741 0.102 2.059 48 HG22 THR 7 1HG2 THR 7 8.822 1.320 3.332 49 HG23 THR 7 2HG2 THR 7 9.408 1.698 1.713 50 H GLY 8 H GLY 8 6.226 -1.086 -0.061 51 HA2 GLY 8 2HA GLY 8 3.564 -0.622 -0.964 52 HA3 GLY 8 1HA GLY 8 4.162 -2.167 -0.346 53 H ALA 9 H ALA 9 4.812 -1.443 2.277 54 HA ALA 9 HA ALA 9 2.469 -1.796 3.729 55 HB1 ALA 9 1HB ALA 9 4.091 -1.818 5.298 56 HB2 ALA 9 2HB ALA 9 4.192 -0.060 5.202 57 HB3 ALA 9 3HB ALA 9 5.207 -1.060 4.163 58 H GLU 10 H GLU 10 4.008 1.362 3.008 59 HA GLU 10 HA GLU 10 2.272 3.129 4.249 60 HB2 GLU 10 2HB GLU 10 3.621 3.184 1.539 61 HB3 GLU 10 1HB GLU 10 2.820 4.599 2.222 62 HG2 GLU 10 2HG GLU 10 5.145 3.067 3.423 63 HG3 GLU 10 1HG GLU 10 5.171 4.719 2.795 64 H CYS 11 H CYS 11 1.807 1.774 0.959 65 HA CYS 11 HA CYS 11 -0.882 2.916 0.745 66 HB2 CYS 11 2HB CYS 11 1.015 1.278 -0.886 67 HB3 CYS 11 1HB CYS 11 -0.691 1.248 -1.336 68 H TYR 12 H TYR 12 0.517 -0.143 1.753 69 HA TYR 12 HA TYR 12 -1.540 -1.969 1.335 70 HB2 TYR 12 2HB TYR 12 0.714 -2.313 2.406 71 HB3 TYR 12 1HB TYR 12 0.038 -1.644 3.896 72 HD1 TYR 12 1HD TYR 12 -2.091 -2.734 4.842 73 HD2 TYR 12 2HD TYR 12 0.388 -4.597 1.873 74 HE1 TYR 12 1HE TYR 12 -3.074 -4.939 5.406 75 HE2 TYR 12 2HE TYR 12 -0.590 -6.803 2.438 76 HH TYR 12 HH TYR 12 -2.473 -7.767 3.468 77 H SER 13 H SER 13 -1.572 0.796 3.441 78 HA SER 13 HA SER 13 -3.761 -0.140 5.135 79 HB2 SER 13 2HB SER 13 -3.469 1.955 6.182 80 HB3 SER 13 1HB SER 13 -1.865 1.600 5.550 81 HG SER 13 HG SER 13 -3.351 3.695 5.046 82 H TRP 14 H TRP 14 -3.501 1.665 2.115 83 HA TRP 14 HA TRP 14 -6.307 2.557 2.203 84 HB2 TRP 14 2HB TRP 14 -4.669 3.995 1.194 85 HB3 TRP 14 1HB TRP 14 -4.046 2.680 0.193 86 HD1 TRP 14 HD TRP 14 -7.475 4.411 0.734 87 HE1 TRP 14 1HE TRP 14 -8.612 4.659 -1.566 88 HE3 TRP 14 3HE TRP 14 -3.962 2.188 -2.230 89 HZ2 TRP 14 2HZ TRP 14 -8.099 4.002 -4.301 90 HZ3 TRP 14 3HZ TRP 14 -4.311 2.013 -4.677 91 HH2 TRP 14 HH TRP 14 -6.372 2.916 -5.716 92 H CYS 15 H CYS 15 -4.368 0.218 0.327 93 HA CYS 15 HA CYS 15 -6.318 -0.722 -1.461 94 HB2 CYS 15 2HB CYS 15 -4.904 -2.734 -1.513 95 HB3 CYS 15 1HB CYS 15 -3.903 -1.284 -1.414 96 H ILE 16 H ILE 16 -5.993 -1.408 1.993 97 HA ILE 16 HA ILE 16 -7.706 -3.739 1.999 98 HB ILE 16 HB ILE 16 -7.038 -1.767 4.205 99 HG12 ILE 16 2HG1 ILE 16 -5.078 -2.739 2.924 100 HG13 ILE 16 1HG1 ILE 16 -5.106 -3.149 4.639 101 HG21 ILE 16 1HG2 ILE 16 -8.147 -4.570 4.119 102 HG22 ILE 16 2HG2 ILE 16 -8.738 -3.181 5.032 103 HG23 ILE 16 3HG2 ILE 16 -7.256 -3.998 5.528 104 HD11 ILE 16 3HD1 ILE 16 -4.612 -5.117 3.180 105 HD12 ILE 16 1HD1 ILE 16 -6.193 -4.917 2.427 106 HD13 ILE 16 2HD1 ILE 16 -6.077 -5.331 4.137 107 H LYS 17 H LYS 17 -8.325 -0.258 2.197 108 HA LYS 17 HA LYS 17 -10.890 -0.150 3.291 109 HB2 LYS 17 2HB LYS 17 -9.200 1.444 1.684 110 HB3 LYS 17 1HB LYS 17 -10.736 1.372 0.819 111 HG2 LYS 17 2HG LYS 17 -11.532 1.741 3.443 112 HG3 LYS 17 1HG LYS 17 -10.074 2.729 3.334 113 HD2 LYS 17 2HD LYS 17 -11.002 4.179 1.814 114 HD3 LYS 17 1HD LYS 17 -11.984 2.923 1.060 115 HE2 LYS 17 2HE LYS 17 -13.631 4.158 2.175 116 HE3 LYS 17 1HE LYS 17 -13.229 2.959 3.420 117 HZ1 LYS 17 3HZ LYS 17 -12.962 4.957 4.538 118 HZ2 LYS 17 1HZ LYS 17 -12.317 5.756 3.189 119 HZ3 LYS 17 2HZ LYS 17 -11.377 4.617 4.029 120 H GLN 18 H GLN 18 -9.905 -1.250 0.083 121 HA GLN 18 HA GLN 18 -12.288 -1.577 -1.303 122 HB2 GLN 18 2HB GLN 18 -9.639 -2.713 -1.166 123 HB3 GLN 18 1HB GLN 18 -10.806 -3.989 -1.517 124 HG2 GLN 18 2HG GLN 18 -10.660 -3.287 -3.641 125 HG3 GLN 18 1HG GLN 18 -11.680 -1.942 -3.131 126 HE21 GLN 18 1HE2 GLN 18 -10.572 0.116 -2.566 127 HE22 GLN 18 2HE2 GLN 18 -9.015 0.438 -3.161 128 H ASP 19 H ASP 19 -10.989 -3.511 1.319 129 HA ASP 19 HA ASP 19 -12.171 -4.776 2.963 130 HB2 ASP 19 2HB ASP 19 -14.163 -3.336 1.782 131 HB3 ASP 19 1HB ASP 19 -14.649 -4.982 1.359 132 H LEU 20 H LEU 20 -10.499 -5.999 1.126 133 HA LEU 20 HA LEU 20 -12.022 -8.389 0.160 134 HB2 LEU 20 2HB LEU 20 -9.128 -7.706 -0.395 135 HB3 LEU 20 1HB LEU 20 -10.213 -8.706 -1.356 136 HG LEU 20 HG LEU 20 -10.001 -5.725 -1.215 137 HD11 LEU 20 1HD1 LEU 20 -10.789 -6.318 -3.700 138 HD12 LEU 20 2HD1 LEU 20 -10.155 -7.901 -3.249 139 HD13 LEU 20 3HD1 LEU 20 -9.108 -6.483 -3.195 140 HD21 LEU 20 3HD2 LEU 20 -12.394 -6.076 -2.519 141 HD22 LEU 20 1HD2 LEU 20 -12.249 -5.541 -0.845 142 HD23 LEU 20 2HD2 LEU 20 -12.542 -7.243 -1.206 143 H SER 21 H SER 21 -8.827 -7.681 1.624 144 HA SER 21 HA SER 21 -9.017 -9.164 3.985 145 HB2 SER 21 2HB SER 21 -7.856 -11.329 3.009 146 HB3 SER 21 1HB SER 21 -9.606 -11.156 2.909 147 HG SER 21 HG SER 21 -7.742 -11.248 0.934 148 H LYS 22 H LYS 22 -6.835 -9.692 4.895 149 HA LYS 22 HA LYS 22 -4.833 -7.755 4.140 150 HB2 LYS 22 2HB LYS 22 -4.475 -10.271 5.794 151 HB3 LYS 22 1HB LYS 22 -3.587 -8.757 5.943 152 HG2 LYS 22 2HG LYS 22 -6.487 -9.275 6.650 153 HG3 LYS 22 1HG LYS 22 -5.186 -8.768 7.724 154 HD2 LYS 22 2HD LYS 22 -5.122 -6.586 6.815 155 HD3 LYS 22 1HD LYS 22 -6.020 -7.065 5.375 156 HE2 LYS 22 2HE LYS 22 -7.547 -5.854 6.826 157 HE3 LYS 22 1HE LYS 22 -7.997 -7.569 6.896 158 HZ1 LYS 22 3HZ LYS 22 -7.812 -6.967 9.123 159 HZ2 LYS 22 1HZ LYS 22 -6.455 -5.986 8.858 160 HZ3 LYS 22 2HZ LYS 22 -6.305 -7.676 8.794 161 H ASP 23 H ASP 23 -5.544 -10.970 3.065 162 HA ASP 23 HA ASP 23 -2.861 -11.489 1.969 163 HB2 ASP 23 2HB ASP 23 -4.143 -13.373 2.704 164 HB3 ASP 23 1HB ASP 23 -5.583 -12.814 1.851 165 H TRP 24 H TRP 24 -5.745 -9.854 1.067 166 HA TRP 24 HA TRP 24 -5.576 -10.087 -1.803 167 HB2 TRP 24 2HB TRP 24 -7.613 -9.168 -1.400 168 HB3 TRP 24 1HB TRP 24 -7.157 -8.836 0.269 169 HD1 TRP 24 HD TRP 24 -7.018 -6.375 0.913 170 HE1 TRP 24 1HE TRP 24 -6.882 -4.143 -0.370 171 HE3 TRP 24 3HE TRP 24 -6.589 -8.131 -3.846 172 HZ2 TRP 24 2HZ TRP 24 -6.625 -3.226 -3.074 173 HZ3 TRP 24 3HZ TRP 24 -6.400 -6.569 -5.763 174 HH2 TRP 24 HH TRP 24 -6.418 -4.117 -5.382 175 H CYS 25 H CYS 25 -4.673 -7.403 0.405 176 HA CYS 25 HA CYS 25 -3.314 -5.858 -1.596 177 HB2 CYS 25 2HB CYS 25 -4.201 -5.314 0.816 178 HB3 CYS 25 1HB CYS 25 -2.595 -5.846 1.327 179 H CYS 26 H CYS 26 -2.341 -8.651 0.256 180 HA CYS 26 HA CYS 26 0.407 -8.472 0.508 181 HB2 CYS 26 2HB CYS 26 -1.598 -10.498 0.259 182 HB3 CYS 26 1HB CYS 26 -0.210 -10.991 -0.709 183 H ASP 27 H ASP 27 -1.277 -9.483 -2.499 184 HA ASP 27 HA ASP 27 1.226 -9.266 -4.043 185 HB2 ASP 27 2HB ASP 27 -1.660 -9.867 -4.779 186 HB3 ASP 27 1HB ASP 27 -0.282 -10.042 -5.870 187 H PHE 28 H PHE 28 -1.498 -7.264 -3.260 188 HA PHE 28 HA PHE 28 -1.615 -5.573 -5.555 189 HB2 PHE 28 2HB PHE 28 -3.232 -5.744 -3.632 190 HB3 PHE 28 1HB PHE 28 -2.063 -4.868 -2.638 191 HD1 PHE 28 2HD PHE 28 -3.794 -4.598 -5.962 192 HD2 PHE 28 1HD PHE 28 -2.194 -2.543 -2.546 193 HE1 PHE 28 2HE PHE 28 -4.629 -2.445 -6.864 194 HE2 PHE 28 1HE PHE 28 -3.029 -0.390 -3.450 195 HZ PHE 28 HZ PHE 28 -4.247 -0.341 -5.609 196 H VAL 29 H VAL 29 0.076 -4.977 -2.440 197 HA VAL 29 HA VAL 29 1.423 -2.613 -3.304 198 HB VAL 29 HB VAL 29 2.630 -2.859 -1.265 199 HG11 VAL 29 1HG1 VAL 29 0.771 -2.760 -0.002 200 HG12 VAL 29 2HG1 VAL 29 0.515 -4.496 -0.177 201 HG13 VAL 29 3HG1 VAL 29 -0.144 -3.382 -1.376 202 HG21 VAL 29 3HG2 VAL 29 2.620 -5.180 -0.124 203 HG22 VAL 29 1HG2 VAL 29 3.708 -4.952 -1.494 204 HG23 VAL 29 2HG2 VAL 29 2.182 -5.810 -1.712 205 H LYS 30 H LYS 30 2.233 -6.037 -3.650 206 HA LYS 30 HA LYS 30 4.950 -5.491 -4.625 207 HB2 LYS 30 2HB LYS 30 4.267 -7.529 -3.349 208 HB3 LYS 30 1HB LYS 30 3.232 -7.994 -4.700 209 HG2 LYS 30 2HG LYS 30 6.081 -7.368 -5.323 210 HG3 LYS 30 1HG LYS 30 5.752 -8.884 -4.483 211 HD2 LYS 30 2HD LYS 30 4.989 -9.826 -6.377 212 HD3 LYS 30 1HD LYS 30 3.838 -8.510 -6.611 213 HE2 LYS 30 2HE LYS 30 6.291 -7.348 -7.264 214 HE3 LYS 30 1HE LYS 30 6.387 -8.976 -7.963 215 HZ1 LYS 30 3HZ LYS 30 5.144 -8.032 -9.581 216 HZ2 LYS 30 1HZ LYS 30 4.544 -6.806 -8.574 217 HZ3 LYS 30 2HZ LYS 30 3.865 -8.363 -8.514 218 H ASP 31 H ASP 31 1.749 -5.816 -5.961 219 HA ASP 31 HA ASP 31 2.445 -6.526 -8.661 220 HB2 ASP 31 2HB ASP 31 0.197 -6.653 -7.541 221 HB3 ASP 31 1HB ASP 31 0.115 -4.892 -7.606 222 H ILE 32 H ILE 32 2.642 -3.553 -6.867 223 HA ILE 32 HA ILE 32 2.991 -1.961 -9.368 224 HB ILE 32 HB ILE 32 2.724 -0.046 -7.843 225 HG12 ILE 32 2HG1 ILE 32 2.622 -2.167 -5.673 226 HG13 ILE 32 1HG1 ILE 32 3.900 -0.975 -5.899 227 HG21 ILE 32 1HG2 ILE 32 0.553 -1.622 -6.727 228 HG22 ILE 32 2HG2 ILE 32 0.789 -1.980 -8.438 229 HG23 ILE 32 3HG2 ILE 32 0.492 -0.321 -7.917 230 HD11 ILE 32 3HD1 ILE 32 1.092 -0.580 -4.928 231 HD12 ILE 32 1HD1 ILE 32 1.895 0.742 -5.776 232 HD13 ILE 32 2HD1 ILE 32 2.597 0.089 -4.295 233 H ARG 33 H ARG 33 5.038 -3.877 -8.422 234 HA ARG 33 HA ARG 33 7.346 -3.943 -7.866 235 HB2 ARG 33 2HB ARG 33 6.826 -1.571 -9.646 236 HB3 ARG 33 1HB ARG 33 8.470 -1.928 -9.114 237 HG2 ARG 33 2HG ARG 33 8.560 -3.932 -10.279 238 HG3 ARG 33 1HG ARG 33 6.812 -4.157 -10.235 239 HD2 ARG 33 2HD ARG 33 6.457 -2.821 -12.090 240 HD3 ARG 33 1HD ARG 33 7.865 -1.795 -11.746 241 HE ARG 33 HE ARG 33 8.967 -4.292 -12.243 242 HH11 ARG 33 1HH2 ARG 33 6.832 -2.134 -13.888 243 HH12 ARG 33 2HH2 ARG 33 7.317 -2.654 -15.468 244 HH21 ARG 33 1HH1 ARG 33 9.606 -4.981 -14.295 245 HH22 ARG 33 2HH1 ARG 33 8.885 -4.266 -15.699 246 H MET 34 H MET 34 6.098 -3.121 -5.611 247 HA MET 34 HA MET 34 7.529 -0.641 -4.727 248 HB2 MET 34 2HB MET 34 4.845 -1.689 -4.474 249 HB3 MET 34 1HB MET 34 5.542 -1.425 -2.876 250 HG2 MET 34 2HG MET 34 4.356 0.589 -3.849 251 HG3 MET 34 1HG MET 34 6.037 0.874 -3.391 252 HE1 MET 34 3HE MET 34 6.367 2.842 -4.584 253 HE2 MET 34 1HE MET 34 6.972 2.864 -6.245 254 HE3 MET 34 2HE MET 34 7.785 1.895 -5.020 255 H ASN 35 H ASN 35 7.498 -0.986 -2.018 256 HA ASN 35 HA ASN 35 9.004 -3.548 -1.589 257 HB2 ASN 35 2HB ASN 35 9.624 -0.698 -1.140 258 HB3 ASN 35 1HB ASN 35 10.005 -1.743 0.230 259 HD21 ASN 35 1HD2 ASN 35 11.791 -0.384 -1.904 260 HD22 ASN 35 2HD2 ASN 35 12.758 -1.661 -2.492 261 HA PRO 36 HA PRO 36 5.522 -3.546 1.368 262 HB2 PRO 36 2HB PRO 36 5.298 -6.268 1.435 263 HB3 PRO 36 1HB PRO 36 4.532 -5.266 0.186 264 HG2 PRO 36 2HG PRO 36 7.032 -6.872 0.052 265 HG3 PRO 36 1HG PRO 36 5.781 -6.629 -1.176 266 HD2 PRO 36 2HD PRO 36 8.179 -5.328 -1.190 267 HD3 PRO 36 1HD PRO 36 6.693 -4.662 -1.905 268 HA PRO 37 HA PRO 37 7.929 -4.485 4.930 269 HB2 PRO 37 2HB PRO 37 5.971 -5.195 6.702 270 HB3 PRO 37 1HB PRO 37 6.229 -3.519 6.176 271 HG2 PRO 37 2HG PRO 37 4.196 -5.495 5.266 272 HG3 PRO 37 1HG PRO 37 4.031 -3.755 5.548 273 HD2 PRO 37 2HD PRO 37 4.303 -4.861 3.067 274 HD3 PRO 37 1HD PRO 37 4.828 -3.210 3.473 275 H ALA 38 H ALA 38 8.878 -6.324 5.930 276 HA ALA 38 HA ALA 38 8.102 -8.938 4.788 277 HB1 ALA 38 1HB ALA 38 10.275 -9.577 5.446 278 HB2 ALA 38 2HB ALA 38 10.322 -8.397 6.755 279 HB3 ALA 38 3HB ALA 38 10.465 -7.862 5.080 280 H ASP 39 H ASP 39 6.041 -8.221 6.411 281 HA ASP 39 HA ASP 39 6.357 -10.081 8.713 282 HB2 ASP 39 2HB ASP 39 5.958 -7.131 8.759 283 HB3 ASP 39 1HB ASP 39 5.027 -8.071 9.925 284 H LYS 40 H LYS 40 4.598 -9.294 6.049 285 HA LYS 40 HA LYS 40 2.104 -10.382 7.274 286 HB2 LYS 40 2HB LYS 40 0.910 -8.713 5.727 287 HB3 LYS 40 1HB LYS 40 1.703 -8.057 7.160 288 HG2 LYS 40 2HG LYS 40 2.350 -6.646 5.360 289 HG3 LYS 40 1HG LYS 40 3.747 -7.670 5.678 290 HD2 LYS 40 2HD LYS 40 3.637 -8.593 3.627 291 HD3 LYS 40 1HD LYS 40 1.916 -8.933 3.810 292 HE2 LYS 40 2HE LYS 40 1.333 -6.676 3.108 293 HE3 LYS 40 1HE LYS 40 3.045 -6.213 3.068 294 HZ1 LYS 40 3HZ LYS 40 2.010 -6.977 0.884 295 HZ2 LYS 40 1HZ LYS 40 2.028 -8.537 1.548 296 HZ3 LYS 40 2HZ LYS 40 3.485 -7.691 1.332 297 H CYS 41 H CYS 41 4.398 -10.563 4.765 298 HA CYS 41 HA CYS 41 2.671 -12.522 3.331 299 HB2 CYS 41 2HB CYS 41 3.016 -9.931 2.447 300 HB3 CYS 41 1HB CYS 41 4.289 -10.791 1.580 301 HA PRO 42 HA PRO 42 6.702 -14.440 3.800 302 HB2 PRO 42 2HB PRO 42 5.886 -16.943 3.053 303 HB3 PRO 42 1HB PRO 42 5.605 -16.281 4.676 304 HG2 PRO 42 2HG PRO 42 3.733 -16.512 2.377 305 HG3 PRO 42 1HG PRO 42 3.430 -16.730 4.107 306 HD2 PRO 42 2HD PRO 42 2.755 -14.473 2.718 307 HD3 PRO 42 1HD PRO 42 3.099 -14.497 4.463 Start of MODEL 10 1 H1 ILE 1 H ILE 1 -2.398 16.023 -2.437 2 HA ILE 1 HA ILE 1 0.303 14.961 -3.210 3 HB ILE 1 HB ILE 1 -0.086 13.547 -1.090 4 HG12 ILE 1 2HG1 ILE 1 -2.022 15.770 -0.426 5 HG13 ILE 1 1HG1 ILE 1 -2.572 14.226 -1.082 6 HG21 ILE 1 1HG2 ILE 1 0.426 15.640 0.382 7 HG22 ILE 1 2HG2 ILE 1 0.398 16.516 -1.149 8 HG23 ILE 1 3HG2 ILE 1 1.558 15.211 -0.901 9 HD11 ILE 1 3HD1 ILE 1 -1.622 14.871 1.616 10 HD12 ILE 1 1HD1 ILE 1 -0.828 13.456 0.925 11 HD13 ILE 1 2HD1 ILE 1 -2.586 13.501 1.061 12 HA PRO 2 HA PRO 2 -3.118 12.302 -4.927 13 HB2 PRO 2 2HB PRO 2 -2.443 12.547 -7.563 14 HB3 PRO 2 1HB PRO 2 -3.545 13.670 -6.740 15 HG2 PRO 2 2HG PRO 2 -0.693 14.016 -7.477 16 HG3 PRO 2 1HG PRO 2 -2.001 15.207 -7.425 17 HD2 PRO 2 2HD PRO 2 -0.042 14.920 -5.496 18 HD3 PRO 2 1HD PRO 2 -1.617 15.704 -5.240 19 H TYR 3 H TYR 3 -0.773 11.378 -3.703 20 HA TYR 3 HA TYR 3 0.254 9.408 -5.718 21 HB2 TYR 3 2HB TYR 3 1.772 11.350 -4.900 22 HB3 TYR 3 1HB TYR 3 1.824 10.471 -3.368 23 HD1 TYR 3 2HD TYR 3 1.880 9.428 -6.979 24 HD2 TYR 3 1HD TYR 3 3.813 9.284 -3.145 25 HE1 TYR 3 2HE TYR 3 3.614 7.916 -7.909 26 HE2 TYR 3 1HE TYR 3 5.547 7.774 -4.076 27 HH TYR 3 HH TYR 3 6.026 6.397 -5.844 28 H CYS 4 H CYS 4 1.220 7.439 -4.514 29 HA CYS 4 HA CYS 4 -0.777 6.486 -2.566 30 HB2 CYS 4 2HB CYS 4 0.264 5.283 -4.619 31 HB3 CYS 4 1HB CYS 4 1.667 5.035 -3.581 32 H GLY 5 H GLY 5 2.815 6.460 -2.655 33 HA2 GLY 5 2HA GLY 5 3.264 7.699 -0.167 34 HA3 GLY 5 1HA GLY 5 3.084 5.971 0.166 35 H GLN 6 H GLN 6 5.494 6.675 0.817 36 HA GLN 6 HA GLN 6 7.327 6.581 -1.518 37 HB2 GLN 6 2HB GLN 6 7.444 8.084 0.619 38 HB3 GLN 6 1HB GLN 6 8.100 6.638 1.395 39 HG2 GLN 6 2HG GLN 6 10.082 6.810 0.304 40 HG3 GLN 6 1HG GLN 6 9.307 7.237 -1.221 41 HE21 GLN 6 1HE2 GLN 6 10.921 8.524 1.585 42 HE22 GLN 6 2HE2 GLN 6 10.775 10.171 1.162 43 H THR 7 H THR 7 5.921 4.438 0.789 44 HA THR 7 HA THR 7 7.799 2.281 -0.098 45 HB THR 7 HB THR 7 7.752 1.495 2.300 46 HG1 THR 7 1HG THR 7 5.788 2.923 2.611 47 HG21 THR 7 3HG2 THR 7 9.653 2.666 2.644 48 HG22 THR 7 1HG2 THR 7 8.796 4.208 2.627 49 HG23 THR 7 2HG2 THR 7 9.301 3.462 1.110 50 H GLY 8 H GLY 8 6.741 0.347 -0.537 51 HA2 GLY 8 2HA GLY 8 4.044 0.164 -1.108 52 HA3 GLY 8 1HA GLY 8 4.993 -1.240 -0.606 53 H ALA 9 H ALA 9 5.571 -0.498 2.044 54 HA ALA 9 HA ALA 9 3.445 -1.471 3.543 55 HB1 ALA 9 1HB ALA 9 5.960 -0.299 3.953 56 HB2 ALA 9 2HB ALA 9 4.951 -1.060 5.184 57 HB3 ALA 9 3HB ALA 9 4.852 0.680 4.915 58 H GLU 10 H GLU 10 4.149 2.000 2.986 59 HA GLU 10 HA GLU 10 2.021 3.193 4.333 60 HB2 GLU 10 2HB GLU 10 3.469 3.771 1.753 61 HB3 GLU 10 1HB GLU 10 2.209 4.860 2.332 62 HG2 GLU 10 2HG GLU 10 4.507 3.985 4.087 63 HG3 GLU 10 1HG GLU 10 4.604 5.413 3.052 64 H CYS 11 H CYS 11 1.976 2.012 0.955 65 HA CYS 11 HA CYS 11 -0.825 2.608 0.542 66 HB2 CYS 11 2HB CYS 11 1.147 0.785 -0.866 67 HB3 CYS 11 1HB CYS 11 -0.416 1.270 -1.523 68 H TYR 12 H TYR 12 0.950 -0.392 1.340 69 HA TYR 12 HA TYR 12 -1.098 -2.253 1.099 70 HB2 TYR 12 2HB TYR 12 1.355 -2.517 1.754 71 HB3 TYR 12 1HB TYR 12 0.841 -2.187 3.404 72 HD1 TYR 12 1HD TYR 12 -1.311 -3.610 4.184 73 HD2 TYR 12 2HD TYR 12 1.401 -4.730 1.061 74 HE1 TYR 12 1HE TYR 12 -2.003 -5.976 4.432 75 HE2 TYR 12 2HE TYR 12 0.709 -7.094 1.299 76 HH TYR 12 HH TYR 12 -1.004 -8.241 3.946 77 H SER 13 H SER 13 -0.866 0.322 3.421 78 HA SER 13 HA SER 13 -2.808 -0.871 5.287 79 HB2 SER 13 2HB SER 13 -1.119 1.564 5.034 80 HB3 SER 13 1HB SER 13 -2.584 1.733 5.997 81 HG SER 13 HG SER 13 -1.884 0.134 7.335 82 H TRP 14 H TRP 14 -2.830 1.424 2.597 83 HA TRP 14 HA TRP 14 -5.593 2.296 3.128 84 HB2 TRP 14 2HB TRP 14 -4.099 3.913 2.230 85 HB3 TRP 14 1HB TRP 14 -3.477 2.782 1.024 86 HD1 TRP 14 HD TRP 14 -6.638 4.805 1.864 87 HE1 TRP 14 1HE TRP 14 -7.970 5.174 -0.313 88 HE3 TRP 14 3HE TRP 14 -3.864 1.975 -1.359 89 HZ2 TRP 14 2HZ TRP 14 -7.872 4.372 -3.058 90 HZ3 TRP 14 3HZ TRP 14 -4.504 1.798 -3.747 91 HH2 TRP 14 HH TRP 14 -6.502 2.993 -4.600 92 H CYS 15 H CYS 15 -3.928 -0.017 1.053 93 HA CYS 15 HA CYS 15 -6.036 -0.502 -0.832 94 HB2 CYS 15 2HB CYS 15 -4.697 -2.492 -1.329 95 HB3 CYS 15 1HB CYS 15 -3.636 -1.108 -1.056 96 H ILE 16 H ILE 16 -5.308 -1.920 2.343 97 HA ILE 16 HA ILE 16 -7.200 -4.083 2.180 98 HB ILE 16 HB ILE 16 -5.996 -2.586 4.517 99 HG12 ILE 16 2HG1 ILE 16 -5.133 -4.906 2.789 100 HG13 ILE 16 1HG1 ILE 16 -4.218 -3.469 3.232 101 HG21 ILE 16 1HG2 ILE 16 -7.035 -5.425 4.483 102 HG22 ILE 16 2HG2 ILE 16 -8.075 -4.067 4.918 103 HG23 ILE 16 3HG2 ILE 16 -6.641 -4.423 5.881 104 HD11 ILE 16 3HD1 ILE 16 -4.859 -4.631 5.676 105 HD12 ILE 16 1HD1 ILE 16 -3.293 -4.710 4.870 106 HD13 ILE 16 2HD1 ILE 16 -4.471 -6.002 4.640 107 H LYS 17 H LYS 17 -7.601 -0.687 2.684 108 HA LYS 17 HA LYS 17 -9.912 -0.641 4.347 109 HB2 LYS 17 2HB LYS 17 -8.436 1.265 3.680 110 HB3 LYS 17 1HB LYS 17 -9.119 1.183 2.055 111 HG2 LYS 17 2HG LYS 17 -11.012 2.230 2.682 112 HG3 LYS 17 1HG LYS 17 -11.163 1.264 4.148 113 HD2 LYS 17 2HD LYS 17 -8.904 3.018 4.422 114 HD3 LYS 17 1HD LYS 17 -10.310 3.965 3.936 115 HE2 LYS 17 2HE LYS 17 -10.319 3.840 6.363 116 HE3 LYS 17 1HE LYS 17 -11.611 2.773 5.777 117 HZ1 LYS 17 3HZ LYS 17 -10.432 0.911 6.252 118 HZ2 LYS 17 1HZ LYS 17 -9.745 1.917 7.433 119 HZ3 LYS 17 2HZ LYS 17 -8.926 1.644 5.970 120 H GLN 18 H GLN 18 -9.489 -1.622 1.041 121 HA GLN 18 HA GLN 18 -12.183 -1.157 0.104 122 HB2 GLN 18 2HB GLN 18 -9.958 -3.054 -0.704 123 HB3 GLN 18 1HB GLN 18 -11.428 -2.814 -1.649 124 HG2 GLN 18 2HG GLN 18 -9.266 -0.793 -1.022 125 HG3 GLN 18 1HG GLN 18 -9.818 -1.339 -2.608 126 HE21 GLN 18 1HE2 GLN 18 -10.213 1.118 -0.271 127 HE22 GLN 18 2HE2 GLN 18 -11.652 1.790 -0.872 128 H ASP 19 H ASP 19 -10.803 -3.458 2.252 129 HA ASP 19 HA ASP 19 -11.890 -5.124 3.540 130 HB2 ASP 19 2HB ASP 19 -13.899 -3.480 2.557 131 HB3 ASP 19 1HB ASP 19 -14.408 -5.096 2.054 132 H LEU 20 H LEU 20 -10.249 -6.141 1.639 133 HA LEU 20 HA LEU 20 -11.890 -8.234 0.237 134 HB2 LEU 20 2HB LEU 20 -9.027 -7.610 -0.410 135 HB3 LEU 20 1HB LEU 20 -10.284 -8.229 -1.470 136 HG LEU 20 HG LEU 20 -9.845 -5.403 -0.521 137 HD11 LEU 20 1HD1 LEU 20 -9.483 -6.895 -2.947 138 HD12 LEU 20 2HD1 LEU 20 -9.087 -5.207 -2.625 139 HD13 LEU 20 3HD1 LEU 20 -10.689 -5.639 -3.222 140 HD21 LEU 20 3HD2 LEU 20 -12.083 -5.110 -0.347 141 HD22 LEU 20 1HD2 LEU 20 -12.390 -6.764 -0.873 142 HD23 LEU 20 2HD2 LEU 20 -12.202 -5.479 -2.066 143 H SER 21 H SER 21 -8.549 -7.879 1.505 144 HA SER 21 HA SER 21 -8.668 -9.830 3.544 145 HB2 SER 21 2HB SER 21 -8.896 -10.866 0.874 146 HB3 SER 21 1HB SER 21 -7.379 -11.427 1.570 147 HG SER 21 HG SER 21 -9.662 -11.483 3.172 148 H LYS 22 H LYS 22 -6.350 -10.839 3.899 149 HA LYS 22 HA LYS 22 -4.417 -8.689 3.865 150 HB2 LYS 22 2HB LYS 22 -4.460 -11.622 4.559 151 HB3 LYS 22 1HB LYS 22 -2.936 -10.731 4.579 152 HG2 LYS 22 2HG LYS 22 -3.644 -9.304 6.303 153 HG3 LYS 22 1HG LYS 22 -5.351 -9.639 6.008 154 HD2 LYS 22 2HD LYS 22 -5.154 -11.859 6.918 155 HD3 LYS 22 1HD LYS 22 -3.396 -11.727 7.002 156 HE2 LYS 22 2HE LYS 22 -3.471 -10.583 8.973 157 HE3 LYS 22 1HE LYS 22 -4.824 -9.571 8.429 158 HZ1 LYS 22 3HZ LYS 22 -5.243 -11.362 10.235 159 HZ2 LYS 22 1HZ LYS 22 -5.243 -12.442 8.928 160 HZ3 LYS 22 2HZ LYS 22 -6.370 -11.171 8.977 161 H ASP 23 H ASP 23 -4.542 -11.827 2.140 162 HA ASP 23 HA ASP 23 -2.228 -11.374 0.519 163 HB2 ASP 23 2HB ASP 23 -3.135 -13.263 -0.760 164 HB3 ASP 23 1HB ASP 23 -3.374 -13.553 0.963 165 H TRP 24 H TRP 24 -5.545 -10.287 0.301 166 HA TRP 24 HA TRP 24 -5.848 -9.690 -2.419 167 HB2 TRP 24 2HB TRP 24 -7.738 -8.936 -1.413 168 HB3 TRP 24 1HB TRP 24 -6.930 -8.900 0.153 169 HD1 TRP 24 HD TRP 24 -6.955 -6.585 1.191 170 HE1 TRP 24 1HE TRP 24 -6.901 -4.162 0.325 171 HE3 TRP 24 3HE TRP 24 -6.765 -7.449 -3.826 172 HZ2 TRP 24 2HZ TRP 24 -6.785 -2.767 -2.173 173 HZ3 TRP 24 3HZ TRP 24 -6.681 -5.562 -5.433 174 HH2 TRP 24 HH TRP 24 -6.693 -3.222 -4.611 175 H CYS 25 H CYS 25 -4.190 -7.760 0.092 176 HA CYS 25 HA CYS 25 -3.320 -5.768 -1.881 177 HB2 CYS 25 2HB CYS 25 -3.930 -5.463 0.628 178 HB3 CYS 25 1HB CYS 25 -2.294 -6.061 0.936 179 H CYS 26 H CYS 26 -1.722 -8.318 0.075 180 HA CYS 26 HA CYS 26 0.949 -7.895 -0.518 181 HB2 CYS 26 2HB CYS 26 -0.499 -9.871 0.607 182 HB3 CYS 26 1HB CYS 26 -0.096 -10.660 -0.917 183 H ASP 27 H ASP 27 -1.555 -9.129 -2.692 184 HA ASP 27 HA ASP 27 0.363 -9.604 -4.883 185 HB2 ASP 27 2HB ASP 27 -1.974 -10.734 -4.145 186 HB3 ASP 27 1HB ASP 27 -2.589 -9.541 -5.290 187 H PHE 28 H PHE 28 -1.712 -7.047 -3.734 188 HA PHE 28 HA PHE 28 -1.955 -5.630 -6.275 189 HB2 PHE 28 2HB PHE 28 -3.643 -5.307 -4.633 190 HB3 PHE 28 1HB PHE 28 -2.454 -5.044 -3.355 191 HD1 PHE 28 1HD PHE 28 -3.578 -3.598 -6.627 192 HD2 PHE 28 2HD PHE 28 -1.870 -2.863 -2.754 193 HE1 PHE 28 1HE PHE 28 -3.640 -1.158 -7.062 194 HE2 PHE 28 2HE PHE 28 -1.932 -0.425 -3.189 195 HZ PHE 28 HZ PHE 28 -2.819 0.430 -5.344 196 H VAL 29 H VAL 29 -0.324 -4.630 -3.242 197 HA VAL 29 HA VAL 29 1.285 -2.621 -4.466 198 HB VAL 29 HB VAL 29 1.094 -2.484 -2.135 199 HG11 VAL 29 1HG1 VAL 29 1.579 -5.452 -2.166 200 HG12 VAL 29 2HG1 VAL 29 0.222 -4.557 -1.475 201 HG13 VAL 29 3HG1 VAL 29 1.797 -4.514 -0.689 202 HG21 VAL 29 3HG2 VAL 29 3.265 -2.172 -1.599 203 HG22 VAL 29 1HG2 VAL 29 3.634 -2.835 -3.191 204 HG23 VAL 29 2HG2 VAL 29 3.633 -3.887 -1.778 205 H LYS 30 H LYS 30 1.849 -6.084 -3.959 206 HA LYS 30 HA LYS 30 4.608 -6.151 -4.739 207 HB2 LYS 30 2HB LYS 30 3.585 -8.022 -3.629 208 HB3 LYS 30 1HB LYS 30 2.312 -8.126 -4.846 209 HG2 LYS 30 2HG LYS 30 5.102 -8.337 -5.848 210 HG3 LYS 30 1HG LYS 30 4.511 -9.699 -4.896 211 HD2 LYS 30 2HD LYS 30 3.041 -10.346 -6.508 212 HD3 LYS 30 1HD LYS 30 2.593 -8.684 -6.896 213 HE2 LYS 30 2HE LYS 30 3.726 -9.449 -8.845 214 HE3 LYS 30 1HE LYS 30 4.966 -8.528 -7.969 215 HZ1 LYS 30 3HZ LYS 30 6.069 -10.386 -7.389 216 HZ2 LYS 30 1HZ LYS 30 5.273 -11.082 -8.715 217 HZ3 LYS 30 2HZ LYS 30 4.653 -11.292 -7.147 218 H ASP 31 H ASP 31 1.582 -6.220 -6.577 219 HA ASP 31 HA ASP 31 2.510 -6.991 -9.124 220 HB2 ASP 31 2HB ASP 31 0.220 -5.848 -7.901 221 HB3 ASP 31 1HB ASP 31 0.617 -4.812 -9.273 222 H ILE 32 H ILE 32 2.346 -3.683 -7.748 223 HA ILE 32 HA ILE 32 3.855 -2.586 -10.026 224 HB ILE 32 HB ILE 32 3.467 -0.471 -8.820 225 HG12 ILE 32 2HG1 ILE 32 2.091 -2.076 -6.663 226 HG13 ILE 32 1HG1 ILE 32 3.801 -1.656 -6.539 227 HG21 ILE 32 1HG2 ILE 32 1.168 -0.412 -9.178 228 HG22 ILE 32 2HG2 ILE 32 0.915 -2.011 -8.476 229 HG23 ILE 32 3HG2 ILE 32 1.611 -1.856 -10.089 230 HD11 ILE 32 3HD1 ILE 32 1.576 0.355 -6.986 231 HD12 ILE 32 1HD1 ILE 32 3.280 0.716 -6.710 232 HD13 ILE 32 2HD1 ILE 32 2.308 0.011 -5.419 233 H ARG 33 H ARG 33 5.325 -4.561 -8.613 234 HA ARG 33 HA ARG 33 7.246 -4.897 -7.229 235 HB2 ARG 33 2HB ARG 33 9.096 -3.961 -8.456 236 HB3 ARG 33 1HB ARG 33 7.812 -4.291 -9.615 237 HG2 ARG 33 2HG ARG 33 7.580 -2.100 -10.135 238 HG3 ARG 33 1HG ARG 33 7.623 -1.610 -8.443 239 HD2 ARG 33 2HD ARG 33 9.580 -0.659 -9.514 240 HD3 ARG 33 1HD ARG 33 10.143 -2.009 -8.510 241 HE ARG 33 HE ARG 33 9.498 -3.113 -11.020 242 HH11 ARG 33 1HH2 ARG 33 11.649 -0.763 -9.678 243 HH12 ARG 33 2HH2 ARG 33 12.887 -1.037 -10.858 244 HH21 ARG 33 1HH1 ARG 33 11.109 -3.472 -12.564 245 HH22 ARG 33 2HH1 ARG 33 12.581 -2.563 -12.490 246 H MET 34 H MET 34 5.721 -3.456 -5.516 247 HA MET 34 HA MET 34 7.306 -1.051 -4.724 248 HB2 MET 34 2HB MET 34 4.529 -1.904 -4.661 249 HB3 MET 34 1HB MET 34 5.062 -1.372 -3.064 250 HG2 MET 34 2HG MET 34 5.391 0.204 -5.634 251 HG3 MET 34 1HG MET 34 4.174 0.519 -4.392 252 HE1 MET 34 3HE MET 34 4.978 2.375 -2.148 253 HE2 MET 34 1HE MET 34 4.354 2.423 -3.802 254 HE3 MET 34 2HE MET 34 5.730 3.426 -3.346 255 H ASN 35 H ASN 35 6.900 -0.981 -2.019 256 HA ASN 35 HA ASN 35 8.249 -3.484 -1.054 257 HB2 ASN 35 2HB ASN 35 8.509 -0.564 -0.278 258 HB3 ASN 35 1HB ASN 35 9.292 -1.878 0.601 259 HD21 ASN 35 1HD2 ASN 35 10.109 -3.552 -1.510 260 HD22 ASN 35 2HD2 ASN 35 11.236 -2.724 -2.487 261 HA PRO 36 HA PRO 36 4.418 -3.257 1.411 262 HB2 PRO 36 2HB PRO 36 3.954 -5.948 1.414 263 HB3 PRO 36 1HB PRO 36 3.449 -4.887 0.086 264 HG2 PRO 36 2HG PRO 36 5.692 -6.799 0.221 265 HG3 PRO 36 1HG PRO 36 4.747 -6.256 -1.172 266 HD2 PRO 36 2HD PRO 36 7.316 -5.386 -0.464 267 HD3 PRO 36 1HD PRO 36 6.238 -4.628 -1.655 268 HA PRO 37 HA PRO 37 6.163 -4.520 5.256 269 HB2 PRO 37 2HB PRO 37 4.058 -5.635 6.605 270 HB3 PRO 37 1HB PRO 37 4.196 -3.891 6.300 271 HG2 PRO 37 2HG PRO 37 2.544 -5.932 4.907 272 HG3 PRO 37 1HG PRO 37 2.172 -4.244 5.290 273 HD2 PRO 37 2HD PRO 37 2.943 -5.127 2.807 274 HD3 PRO 37 1HD PRO 37 3.166 -3.462 3.391 275 H ALA 38 H ALA 38 7.465 -6.258 5.756 276 HA ALA 38 HA ALA 38 6.922 -8.874 4.519 277 HB1 ALA 38 1HB ALA 38 9.171 -8.679 4.447 278 HB2 ALA 38 2HB ALA 38 9.182 -8.990 6.183 279 HB3 ALA 38 3HB ALA 38 9.142 -7.332 5.585 280 H ASP 39 H ASP 39 6.295 -7.375 7.549 281 HA ASP 39 HA ASP 39 6.372 -9.867 9.121 282 HB2 ASP 39 2HB ASP 39 6.986 -7.809 10.201 283 HB3 ASP 39 1HB ASP 39 5.529 -7.000 9.623 284 H LYS 40 H LYS 40 4.022 -7.963 7.337 285 HA LYS 40 HA LYS 40 1.709 -9.317 8.563 286 HB2 LYS 40 2HB LYS 40 1.905 -6.892 7.712 287 HB3 LYS 40 1HB LYS 40 1.786 -7.579 6.091 288 HG2 LYS 40 2HG LYS 40 -0.445 -6.961 6.784 289 HG3 LYS 40 1HG LYS 40 -0.344 -8.721 6.820 290 HD2 LYS 40 2HD LYS 40 0.535 -7.804 9.356 291 HD3 LYS 40 1HD LYS 40 -0.943 -6.920 8.980 292 HE2 LYS 40 2HE LYS 40 -2.166 -8.763 9.459 293 HE3 LYS 40 1HE LYS 40 -1.298 -9.668 8.203 294 HZ1 LYS 40 3HZ LYS 40 -1.027 -10.466 10.594 295 HZ2 LYS 40 1HZ LYS 40 -0.068 -9.088 10.830 296 HZ3 LYS 40 2HZ LYS 40 0.391 -10.254 9.683 297 H CYS 41 H CYS 41 2.831 -9.007 5.163 298 HA CYS 41 HA CYS 41 1.994 -11.855 4.758 299 HB2 CYS 41 2HB CYS 41 0.806 -11.238 2.822 300 HB3 CYS 41 1HB CYS 41 0.467 -9.901 3.924 301 HA PRO 42 HA PRO 42 6.037 -12.279 3.086 302 HB2 PRO 42 2HB PRO 42 5.656 -14.593 1.679 303 HB3 PRO 42 1HB PRO 42 5.779 -14.547 3.450 304 HG2 PRO 42 2HG PRO 42 3.365 -14.758 1.728 305 HG3 PRO 42 1HG PRO 42 3.718 -15.535 3.278 306 HD2 PRO 42 2HD PRO 42 2.090 -13.354 2.999 307 HD3 PRO 42 1HD PRO 42 2.981 -13.746 4.490 Start of MODEL 11 1 H1 ILE 1 H ILE 1 8.502 15.739 -3.396 2 HA ILE 1 HA ILE 1 6.225 16.082 -1.614 3 HB ILE 1 HB ILE 1 6.464 14.681 -4.294 4 HG12 ILE 1 2HG1 ILE 1 7.436 16.879 -4.515 5 HG13 ILE 1 1HG1 ILE 1 5.803 16.964 -5.180 6 HG21 ILE 1 1HG2 ILE 1 4.166 15.959 -2.790 7 HG22 ILE 1 2HG2 ILE 1 4.314 14.276 -3.297 8 HG23 ILE 1 3HG2 ILE 1 4.087 15.544 -4.502 9 HD11 ILE 1 3HD1 ILE 1 5.015 17.784 -2.929 10 HD12 ILE 1 1HD1 ILE 1 6.114 18.892 -3.754 11 HD13 ILE 1 2HD1 ILE 1 6.707 17.880 -2.438 12 HA PRO 2 HA PRO 2 6.808 11.903 -0.041 13 HB2 PRO 2 2HB PRO 2 5.248 12.238 2.172 14 HB3 PRO 2 1HB PRO 2 6.923 12.820 2.079 15 HG2 PRO 2 2HG PRO 2 4.385 14.327 1.884 16 HG3 PRO 2 1HG PRO 2 5.957 14.833 2.517 17 HD2 PRO 2 2HD PRO 2 4.910 15.499 0.019 18 HD3 PRO 2 1HD PRO 2 6.611 15.646 0.511 19 H TYR 3 H TYR 3 5.056 12.160 -2.179 20 HA TYR 3 HA TYR 3 2.309 11.853 -1.843 21 HB2 TYR 3 2HB TYR 3 2.658 10.200 -3.875 22 HB3 TYR 3 1HB TYR 3 3.050 11.911 -4.044 23 HD1 TYR 3 1HD TYR 3 5.091 9.547 -2.037 24 HD2 TYR 3 2HD TYR 3 4.710 11.639 -5.772 25 HE1 TYR 3 1HE TYR 3 7.433 8.969 -2.601 26 HE2 TYR 3 2HE TYR 3 7.054 11.062 -6.332 27 HH TYR 3 HH TYR 3 8.829 9.820 -5.754 28 H CYS 4 H CYS 4 3.380 8.783 -2.921 29 HA CYS 4 HA CYS 4 1.989 7.492 -0.661 30 HB2 CYS 4 2HB CYS 4 2.229 7.069 -3.387 31 HB3 CYS 4 1HB CYS 4 3.279 5.824 -2.707 32 H GLY 5 H GLY 5 4.008 8.419 0.674 33 HA2 GLY 5 2HA GLY 5 6.074 8.004 1.740 34 HA3 GLY 5 1HA GLY 5 5.458 6.349 1.781 35 H GLN 6 H GLN 6 7.624 5.541 1.499 36 HA GLN 6 HA GLN 6 8.710 5.909 -1.277 37 HB2 GLN 6 2HB GLN 6 9.922 5.784 1.462 38 HB3 GLN 6 1HB GLN 6 10.869 5.170 0.102 39 HG2 GLN 6 2HG GLN 6 9.721 7.631 -0.733 40 HG3 GLN 6 1HG GLN 6 10.410 7.901 0.868 41 HE21 GLN 6 1HE2 GLN 6 11.177 7.260 -2.486 42 HE22 GLN 6 2HE2 GLN 6 12.873 7.292 -2.306 43 H THR 7 H THR 7 6.803 3.824 0.012 44 HA THR 7 HA THR 7 8.075 1.488 -1.249 45 HB THR 7 HB THR 7 7.377 0.559 1.335 46 HG1 THR 7 1HG THR 7 8.809 1.918 2.562 47 HG21 THR 7 3HG2 THR 7 9.589 -0.209 1.371 48 HG22 THR 7 1HG2 THR 7 10.190 1.191 0.483 49 HG23 THR 7 2HG2 THR 7 9.261 -0.052 -0.354 50 H GLY 8 H GLY 8 6.496 -0.529 -0.355 51 HA2 GLY 8 2HA GLY 8 3.851 0.251 -1.377 52 HA3 GLY 8 1HA GLY 8 4.387 -1.394 -1.029 53 H ALA 9 H ALA 9 5.165 -1.125 1.659 54 HA ALA 9 HA ALA 9 2.882 -1.625 3.131 55 HB1 ALA 9 1HB ALA 9 5.606 -0.580 3.675 56 HB2 ALA 9 2HB ALA 9 4.791 -1.992 4.346 57 HB3 ALA 9 3HB ALA 9 4.437 -0.386 4.981 58 H GLU 10 H GLU 10 4.434 1.593 2.955 59 HA GLU 10 HA GLU 10 2.707 3.132 4.469 60 HB2 GLU 10 2HB GLU 10 3.180 4.870 2.502 61 HB3 GLU 10 1HB GLU 10 4.483 4.307 3.545 62 HG2 GLU 10 2HG GLU 10 3.979 2.556 1.237 63 HG3 GLU 10 1HG GLU 10 4.514 4.186 0.802 64 H CYS 11 H CYS 11 2.152 2.290 1.015 65 HA CYS 11 HA CYS 11 -0.557 3.476 1.143 66 HB2 CYS 11 2HB CYS 11 0.661 1.914 -1.137 67 HB3 CYS 11 1HB CYS 11 -0.499 3.237 -1.215 68 H TYR 12 H TYR 12 0.981 0.308 0.869 69 HA TYR 12 HA TYR 12 -1.185 -1.383 0.328 70 HB2 TYR 12 2HB TYR 12 1.205 -1.973 0.470 71 HB3 TYR 12 1HB TYR 12 1.177 -1.699 2.211 72 HD1 TYR 12 2HD TYR 12 -1.942 -3.081 1.274 73 HD2 TYR 12 1HD TYR 12 2.165 -4.139 1.918 74 HE1 TYR 12 2HE TYR 12 -2.602 -5.438 1.649 75 HE2 TYR 12 1HE TYR 12 1.502 -6.496 2.297 76 HH TYR 12 HH TYR 12 -0.359 -7.810 2.842 77 H SER 13 H SER 13 -0.064 -0.259 3.555 78 HA SER 13 HA SER 13 -1.807 -1.565 5.261 79 HB2 SER 13 2HB SER 13 -0.782 1.271 5.150 80 HB3 SER 13 1HB SER 13 -1.759 0.716 6.505 81 HG SER 13 HG SER 13 0.660 -0.442 5.562 82 H TRP 14 H TRP 14 -2.595 1.275 3.241 83 HA TRP 14 HA TRP 14 -5.347 1.419 4.232 84 HB2 TRP 14 2HB TRP 14 -4.328 3.451 3.561 85 HB3 TRP 14 1HB TRP 14 -3.687 2.735 2.079 86 HD1 TRP 14 HD TRP 14 -6.719 4.442 3.504 87 HE1 TRP 14 1HE TRP 14 -8.490 4.746 1.655 88 HE3 TRP 14 3HE TRP 14 -4.658 1.567 -0.178 89 HZ2 TRP 14 2HZ TRP 14 -8.966 3.892 -1.031 90 HZ3 TRP 14 3HZ TRP 14 -5.788 1.331 -2.370 91 HH2 TRP 14 HH TRP 14 -7.938 2.490 -2.802 92 H CYS 15 H CYS 15 -3.672 0.049 1.441 93 HA CYS 15 HA CYS 15 -5.866 -0.480 -0.267 94 HB2 CYS 15 2HB CYS 15 -3.394 -0.709 -0.697 95 HB3 CYS 15 1HB CYS 15 -3.421 -2.196 0.250 96 H ILE 16 H ILE 16 -4.894 -2.060 2.712 97 HA ILE 16 HA ILE 16 -6.498 -4.466 2.232 98 HB ILE 16 HB ILE 16 -5.011 -3.315 4.605 99 HG12 ILE 16 2HG1 ILE 16 -4.393 -5.151 2.328 100 HG13 ILE 16 1HG1 ILE 16 -3.358 -3.974 3.129 101 HG21 ILE 16 1HG2 ILE 16 -6.928 -4.813 5.253 102 HG22 ILE 16 2HG2 ILE 16 -5.345 -5.446 5.706 103 HG23 ILE 16 3HG2 ILE 16 -6.183 -6.094 4.296 104 HD11 ILE 16 3HD1 ILE 16 -3.252 -5.505 5.117 105 HD12 ILE 16 1HD1 ILE 16 -2.546 -6.202 3.658 106 HD13 ILE 16 2HD1 ILE 16 -4.153 -6.701 4.186 107 H LYS 17 H LYS 17 -7.007 -1.345 3.801 108 HA LYS 17 HA LYS 17 -9.113 -1.953 5.570 109 HB2 LYS 17 2HB LYS 17 -7.941 0.230 5.271 110 HB3 LYS 17 1HB LYS 17 -8.804 0.455 3.749 111 HG2 LYS 17 2HG LYS 17 -10.924 0.524 4.860 112 HG3 LYS 17 1HG LYS 17 -10.218 -0.008 6.384 113 HD2 LYS 17 2HD LYS 17 -8.720 2.229 5.813 114 HD3 LYS 17 1HD LYS 17 -10.310 2.686 5.202 115 HE2 LYS 17 2HE LYS 17 -10.298 3.342 7.512 116 HE3 LYS 17 1HE LYS 17 -11.235 1.835 7.461 117 HZ1 LYS 17 3HZ LYS 17 -9.105 0.640 7.855 118 HZ2 LYS 17 1HZ LYS 17 -9.604 1.599 9.161 119 HZ3 LYS 17 2HZ LYS 17 -8.359 2.140 8.140 120 H GLN 18 H GLN 18 -9.108 -1.878 2.071 121 HA GLN 18 HA GLN 18 -11.727 -1.474 1.288 122 HB2 GLN 18 2HB GLN 18 -9.506 -3.300 0.552 123 HB3 GLN 18 1HB GLN 18 -11.087 -3.706 -0.113 124 HG2 GLN 18 2HG GLN 18 -9.879 -2.236 -1.636 125 HG3 GLN 18 1HG GLN 18 -11.296 -1.402 -0.991 126 HE21 GLN 18 1HE2 GLN 18 -10.924 0.556 0.122 127 HE22 GLN 18 2HE2 GLN 18 -9.385 1.139 0.537 128 H ASP 19 H ASP 19 -10.378 -4.349 2.802 129 HA ASP 19 HA ASP 19 -11.528 -5.758 4.416 130 HB2 ASP 19 2HB ASP 19 -13.465 -4.094 4.257 131 HB3 ASP 19 1HB ASP 19 -14.076 -5.085 2.927 132 H LEU 20 H LEU 20 -10.213 -6.487 1.970 133 HA LEU 20 HA LEU 20 -11.999 -8.616 0.856 134 HB2 LEU 20 2HB LEU 20 -9.269 -7.664 -0.048 135 HB3 LEU 20 1HB LEU 20 -10.341 -8.724 -0.941 136 HG LEU 20 HG LEU 20 -10.363 -5.784 -0.694 137 HD11 LEU 20 1HD1 LEU 20 -10.599 -7.856 -2.674 138 HD12 LEU 20 2HD1 LEU 20 -10.321 -6.130 -2.907 139 HD13 LEU 20 3HD1 LEU 20 -11.968 -6.752 -2.811 140 HD21 LEU 20 3HD2 LEU 20 -12.951 -5.929 -1.195 141 HD22 LEU 20 1HD2 LEU 20 -12.391 -5.900 0.476 142 HD23 LEU 20 2HD2 LEU 20 -12.850 -7.428 -0.273 143 H SER 21 H SER 21 -8.480 -8.426 1.421 144 HA SER 21 HA SER 21 -8.337 -10.423 3.472 145 HB2 SER 21 2HB SER 21 -7.750 -12.357 2.107 146 HB3 SER 21 1HB SER 21 -9.295 -11.732 1.541 147 HG SER 21 HG SER 21 -8.375 -11.054 -0.258 148 H LYS 22 H LYS 22 -5.952 -11.439 3.358 149 HA LYS 22 HA LYS 22 -4.096 -9.209 3.228 150 HB2 LYS 22 2HB LYS 22 -4.295 -11.730 4.420 151 HB3 LYS 22 1HB LYS 22 -2.950 -11.896 3.293 152 HG2 LYS 22 2HG LYS 22 -1.653 -10.337 4.390 153 HG3 LYS 22 1HG LYS 22 -3.050 -9.430 4.973 154 HD2 LYS 22 2HD LYS 22 -3.494 -11.703 6.305 155 HD3 LYS 22 1HD LYS 22 -1.744 -11.849 6.133 156 HE2 LYS 22 2HE LYS 22 -1.431 -10.328 7.780 157 HE3 LYS 22 1HE LYS 22 -2.422 -9.144 6.907 158 HZ1 LYS 22 3HZ LYS 22 -3.421 -11.353 8.627 159 HZ2 LYS 22 1HZ LYS 22 -4.408 -10.333 7.698 160 HZ3 LYS 22 2HZ LYS 22 -3.494 -9.692 8.978 161 H ASP 23 H ASP 23 -4.972 -11.863 1.092 162 HA ASP 23 HA ASP 23 -2.691 -11.473 -0.714 163 HB2 ASP 23 2HB ASP 23 -3.486 -13.674 -0.656 164 HB3 ASP 23 1HB ASP 23 -5.169 -13.166 -0.531 165 H TRP 24 H TRP 24 -5.808 -10.087 -0.239 166 HA TRP 24 HA TRP 24 -6.568 -9.338 -2.866 167 HB2 TRP 24 2HB TRP 24 -8.196 -8.894 -1.296 168 HB3 TRP 24 1HB TRP 24 -7.019 -8.468 -0.056 169 HD1 TRP 24 HD TRP 24 -7.751 -6.128 0.665 170 HE1 TRP 24 1HE TRP 24 -8.133 -3.881 -0.534 171 HE3 TRP 24 3HE TRP 24 -7.308 -7.634 -4.178 172 HZ2 TRP 24 2HZ TRP 24 -8.238 -2.857 -3.204 173 HZ3 TRP 24 3HZ TRP 24 -7.557 -6.012 -6.036 174 HH2 TRP 24 HH TRP 24 -8.018 -3.624 -5.553 175 H CYS 25 H CYS 25 -4.466 -7.635 -0.514 176 HA CYS 25 HA CYS 25 -3.673 -5.798 -2.743 177 HB2 CYS 25 2HB CYS 25 -3.772 -5.594 0.261 178 HB3 CYS 25 1HB CYS 25 -2.836 -4.442 -0.701 179 H CYS 26 H CYS 26 -2.425 -8.217 -0.513 180 HA CYS 26 HA CYS 26 0.303 -7.682 -0.365 181 HB2 CYS 26 2HB CYS 26 -1.443 -10.054 -0.522 182 HB3 CYS 26 1HB CYS 26 0.212 -10.367 -1.042 183 H ASP 27 H ASP 27 -1.575 -8.771 -3.150 184 HA ASP 27 HA ASP 27 0.798 -8.959 -4.894 185 HB2 ASP 27 2HB ASP 27 -2.171 -9.421 -5.073 186 HB3 ASP 27 1HB ASP 27 -1.222 -9.296 -6.557 187 H PHE 28 H PHE 28 -2.031 -6.837 -4.412 188 HA PHE 28 HA PHE 28 -1.891 -5.089 -6.556 189 HB2 PHE 28 2HB PHE 28 -3.539 -4.836 -4.836 190 HB3 PHE 28 1HB PHE 28 -2.302 -4.625 -3.591 191 HD1 PHE 28 1HD PHE 28 -3.030 -3.114 -6.955 192 HD2 PHE 28 2HD PHE 28 -2.121 -2.444 -2.811 193 HE1 PHE 28 1HE PHE 28 -3.045 -0.665 -7.348 194 HE2 PHE 28 2HE PHE 28 -2.136 0.004 -3.202 195 HZ PHE 28 HZ PHE 28 -2.597 0.894 -5.471 196 H VAL 29 H VAL 29 -0.135 -4.451 -3.482 197 HA VAL 29 HA VAL 29 1.501 -2.362 -4.501 198 HB VAL 29 HB VAL 29 2.762 -2.718 -2.467 199 HG11 VAL 29 1HG1 VAL 29 0.911 -1.931 -1.450 200 HG12 VAL 29 2HG1 VAL 29 0.501 -3.604 -1.074 201 HG13 VAL 29 3HG1 VAL 29 -0.143 -2.843 -2.530 202 HG21 VAL 29 3HG2 VAL 29 2.362 -4.837 -1.140 203 HG22 VAL 29 1HG2 VAL 29 3.253 -5.074 -2.643 204 HG23 VAL 29 2HG2 VAL 29 1.542 -5.492 -2.558 205 H LYS 30 H LYS 30 1.802 -5.853 -4.745 206 HA LYS 30 HA LYS 30 4.597 -5.902 -5.510 207 HB2 LYS 30 2HB LYS 30 2.650 -7.702 -4.777 208 HB3 LYS 30 1HB LYS 30 2.794 -8.016 -6.507 209 HG2 LYS 30 2HG LYS 30 4.566 -9.310 -5.939 210 HG3 LYS 30 1HG LYS 30 5.429 -7.784 -5.737 211 HD2 LYS 30 2HD LYS 30 5.788 -8.568 -3.622 212 HD3 LYS 30 1HD LYS 30 4.161 -7.948 -3.336 213 HE2 LYS 30 2HE LYS 30 3.201 -10.063 -3.359 214 HE3 LYS 30 1HE LYS 30 4.450 -10.727 -4.432 215 HZ1 LYS 30 3HZ LYS 30 5.386 -9.677 -1.890 216 HZ2 LYS 30 1HZ LYS 30 5.874 -11.065 -2.733 217 HZ3 LYS 30 2HZ LYS 30 4.459 -11.098 -1.792 218 H ASP 31 H ASP 31 1.521 -5.734 -7.288 219 HA ASP 31 HA ASP 31 2.301 -6.157 -9.926 220 HB2 ASP 31 2HB ASP 31 0.241 -4.754 -8.446 221 HB3 ASP 31 1HB ASP 31 0.650 -3.861 -9.912 222 H ILE 32 H ILE 32 2.564 -3.101 -8.093 223 HA ILE 32 HA ILE 32 4.032 -1.763 -10.247 224 HB ILE 32 HB ILE 32 4.031 0.085 -8.631 225 HG12 ILE 32 2HG1 ILE 32 2.983 -1.984 -6.672 226 HG13 ILE 32 1HG1 ILE 32 4.599 -1.278 -6.633 227 HG21 ILE 32 1HG2 ILE 32 1.749 -1.272 -9.594 228 HG22 ILE 32 2HG2 ILE 32 1.851 0.415 -9.090 229 HG23 ILE 32 3HG2 ILE 32 1.380 -0.826 -7.929 230 HD11 ILE 32 3HD1 ILE 32 3.850 0.708 -5.792 231 HD12 ILE 32 1HD1 ILE 32 2.487 -0.270 -5.248 232 HD13 ILE 32 2HD1 ILE 32 2.364 0.663 -6.740 233 H ARG 33 H ARG 33 4.966 -4.172 -8.256 234 HA ARG 33 HA ARG 33 7.092 -4.944 -7.567 235 HB2 ARG 33 2HB ARG 33 7.372 -3.407 -9.880 236 HB3 ARG 33 1HB ARG 33 8.594 -2.757 -8.788 237 HG2 ARG 33 2HG ARG 33 9.347 -5.131 -8.355 238 HG3 ARG 33 1HG ARG 33 8.261 -5.643 -9.649 239 HD2 ARG 33 2HD ARG 33 10.636 -3.772 -9.887 240 HD3 ARG 33 1HD ARG 33 10.413 -5.341 -10.687 241 HE ARG 33 HE ARG 33 8.213 -4.046 -11.558 242 HH11 ARG 33 1HH2 ARG 33 11.511 -3.029 -11.294 243 HH12 ARG 33 2HH2 ARG 33 11.382 -1.869 -12.572 244 HH21 ARG 33 1HH1 ARG 33 8.048 -2.551 -13.223 245 HH22 ARG 33 2HH1 ARG 33 9.428 -1.601 -13.665 246 H MET 34 H MET 34 6.406 -4.174 -5.365 247 HA MET 34 HA MET 34 8.202 -1.973 -4.425 248 HB2 MET 34 2HB MET 34 5.238 -2.253 -4.303 249 HB3 MET 34 1HB MET 34 6.030 -1.612 -2.863 250 HG2 MET 34 2HG MET 34 6.867 -0.499 -5.505 251 HG3 MET 34 1HG MET 34 5.291 -0.015 -4.873 252 HE1 MET 34 3HE MET 34 8.104 1.138 -5.612 253 HE2 MET 34 1HE MET 34 9.287 0.635 -4.395 254 HE3 MET 34 2HE MET 34 8.678 2.288 -4.406 255 H ASN 35 H ASN 35 7.891 -2.039 -1.792 256 HA ASN 35 HA ASN 35 8.322 -4.909 -1.031 257 HB2 ASN 35 2HB ASN 35 10.307 -3.514 -0.859 258 HB3 ASN 35 1HB ASN 35 9.417 -2.294 0.052 259 HD21 ASN 35 1HD2 ASN 35 10.077 -5.845 0.260 260 HD22 ASN 35 2HD2 ASN 35 10.286 -5.849 1.952 261 HA PRO 36 HA PRO 36 4.662 -3.989 1.412 262 HB2 PRO 36 2HB PRO 36 4.077 -6.597 1.976 263 HB3 PRO 36 1HB PRO 36 3.662 -5.829 0.430 264 HG2 PRO 36 2HG PRO 36 5.847 -7.718 1.075 265 HG3 PRO 36 1HG PRO 36 4.932 -7.514 -0.425 266 HD2 PRO 36 2HD PRO 36 7.501 -6.565 0.039 267 HD3 PRO 36 1HD PRO 36 6.409 -6.003 -1.244 268 HA PRO 37 HA PRO 37 6.389 -4.407 5.437 269 HB2 PRO 37 2HB PRO 37 4.133 -4.495 6.982 270 HB3 PRO 37 1HB PRO 37 4.688 -3.017 6.173 271 HG2 PRO 37 2HG PRO 37 2.487 -4.856 5.444 272 HG3 PRO 37 1HG PRO 37 2.628 -3.109 5.209 273 HD2 PRO 37 2HD PRO 37 3.017 -5.039 3.253 274 HD3 PRO 37 1HD PRO 37 3.584 -3.355 3.168 275 H ALA 38 H ALA 38 6.603 -5.958 7.259 276 HA ALA 38 HA ALA 38 6.156 -8.726 6.398 277 HB1 ALA 38 1HB ALA 38 8.195 -7.766 7.581 278 HB2 ALA 38 2HB ALA 38 7.536 -9.229 8.313 279 HB3 ALA 38 3HB ALA 38 7.201 -7.655 9.035 280 H ASP 39 H ASP 39 4.765 -6.476 8.739 281 HA ASP 39 HA ASP 39 3.290 -8.326 10.332 282 HB2 ASP 39 2HB ASP 39 2.526 -5.510 9.496 283 HB3 ASP 39 1HB ASP 39 2.062 -6.336 10.986 284 H LYS 40 H LYS 40 2.821 -7.227 7.066 285 HA LYS 40 HA LYS 40 0.073 -8.429 7.041 286 HB2 LYS 40 2HB LYS 40 1.146 -5.950 6.156 287 HB3 LYS 40 1HB LYS 40 0.736 -6.870 4.707 288 HG2 LYS 40 2HG LYS 40 -1.217 -5.600 5.396 289 HG3 LYS 40 1HG LYS 40 -1.527 -7.311 5.689 290 HD2 LYS 40 2HD LYS 40 -2.153 -6.543 7.754 291 HD3 LYS 40 1HD LYS 40 -0.419 -6.643 8.063 292 HE2 LYS 40 2HE LYS 40 -0.586 -4.165 6.908 293 HE3 LYS 40 1HE LYS 40 -2.131 -4.249 7.777 294 HZ1 LYS 40 3HZ LYS 40 -0.020 -3.532 9.058 295 HZ2 LYS 40 1HZ LYS 40 0.344 -5.189 9.068 296 HZ3 LYS 40 2HZ LYS 40 -1.092 -4.631 9.784 297 H CYS 41 H CYS 41 2.847 -7.926 4.818 298 HA CYS 41 HA CYS 41 2.323 -10.675 3.729 299 HB2 CYS 41 2HB CYS 41 2.265 -8.184 2.488 300 HB3 CYS 41 1HB CYS 41 3.855 -8.822 2.056 301 HA PRO 42 HA PRO 42 6.393 -11.534 5.223 302 HB2 PRO 42 2HB PRO 42 6.720 -13.947 3.973 303 HB3 PRO 42 1HB PRO 42 5.695 -13.731 5.406 304 HG2 PRO 42 2HG PRO 42 4.925 -13.953 2.544 305 HG3 PRO 42 1HG PRO 42 4.108 -14.577 3.986 306 HD2 PRO 42 2HD PRO 42 3.331 -12.322 2.632 307 HD3 PRO 42 1HD PRO 42 2.989 -12.623 4.352 Start of MODEL 12 1 H1 ILE 1 H ILE 1 -4.076 10.257 4.707 2 HA ILE 1 HA ILE 1 -2.189 11.829 2.979 3 HB ILE 1 HB ILE 1 -0.496 10.290 4.326 4 HG12 ILE 1 2HG1 ILE 1 -2.722 10.605 6.354 5 HG13 ILE 1 1HG1 ILE 1 -2.472 9.111 5.451 6 HG21 ILE 1 1HG2 ILE 1 0.050 12.371 4.972 7 HG22 ILE 1 2HG2 ILE 1 -1.159 12.249 6.251 8 HG23 ILE 1 3HG2 ILE 1 -1.598 12.932 4.685 9 HD11 ILE 1 3HD1 ILE 1 -1.262 9.658 7.831 10 HD12 ILE 1 1HD1 ILE 1 -0.041 10.243 6.701 11 HD13 ILE 1 2HD1 ILE 1 -0.589 8.568 6.617 12 HA PRO 2 HA PRO 2 -3.120 7.703 1.057 13 HB2 PRO 2 2HB PRO 2 -4.195 8.639 -1.271 14 HB3 PRO 2 1HB PRO 2 -5.166 8.351 0.188 15 HG2 PRO 2 2HG PRO 2 -4.182 10.900 -0.954 16 HG3 PRO 2 1HG PRO 2 -5.671 10.560 -0.062 17 HD2 PRO 2 2HD PRO 2 -3.402 11.768 0.990 18 HD3 PRO 2 1HD PRO 2 -4.702 11.009 1.937 19 H TYR 3 H TYR 3 -0.623 9.118 1.170 20 HA TYR 3 HA TYR 3 0.287 8.960 -1.681 21 HB2 TYR 3 2HB TYR 3 0.739 11.151 -1.210 22 HB3 TYR 3 1HB TYR 3 0.639 10.890 0.530 23 HD1 TYR 3 2HD TYR 3 2.864 9.959 -2.360 24 HD2 TYR 3 1HD TYR 3 2.591 11.132 1.763 25 HE1 TYR 3 2HE TYR 3 5.340 10.015 -2.211 26 HE2 TYR 3 1HE TYR 3 5.065 11.191 1.911 27 HH TYR 3 HH TYR 3 6.991 10.294 0.802 28 H CYS 4 H CYS 4 1.654 7.262 -2.034 29 HA CYS 4 HA CYS 4 2.863 5.863 0.285 30 HB2 CYS 4 2HB CYS 4 2.607 5.214 -2.673 31 HB3 CYS 4 1HB CYS 4 3.178 4.094 -1.437 32 H GLY 5 H GLY 5 4.878 4.784 -1.759 33 HA2 GLY 5 2HA GLY 5 6.711 6.007 -3.019 34 HA3 GLY 5 1HA GLY 5 6.712 7.140 -1.667 35 H GLN 6 H GLN 6 6.860 5.716 0.564 36 HA GLN 6 HA GLN 6 9.519 4.845 0.777 37 HB2 GLN 6 2HB GLN 6 7.110 4.954 2.351 38 HB3 GLN 6 1HB GLN 6 7.960 3.441 2.683 39 HG2 GLN 6 2HG GLN 6 9.771 4.505 3.603 40 HG3 GLN 6 1HG GLN 6 9.632 5.896 2.527 41 HE21 GLN 6 1HE2 GLN 6 7.119 4.495 4.684 42 HE22 GLN 6 2HE2 GLN 6 6.909 5.912 5.609 43 H THR 7 H THR 7 6.909 2.495 1.312 44 HA THR 7 HA THR 7 8.190 0.609 -0.613 45 HB THR 7 HB THR 7 8.207 -1.087 1.267 46 HG1 THR 7 1HG THR 7 7.842 1.200 2.886 47 HG21 THR 7 3HG2 THR 7 9.826 1.400 1.847 48 HG22 THR 7 1HG2 THR 7 10.217 0.249 0.569 49 HG23 THR 7 2HG2 THR 7 10.249 -0.262 2.257 50 H GLY 8 H GLY 8 6.617 -1.612 0.622 51 HA2 GLY 8 2HA GLY 8 4.129 -1.158 -0.804 52 HA3 GLY 8 1HA GLY 8 4.535 -2.602 0.133 53 H ALA 9 H ALA 9 5.086 -1.387 2.619 54 HA ALA 9 HA ALA 9 2.612 -1.279 3.907 55 HB1 ALA 9 1HB ALA 9 3.870 -0.517 5.739 56 HB2 ALA 9 2HB ALA 9 4.892 0.505 4.728 57 HB3 ALA 9 3HB ALA 9 5.113 -1.244 4.721 58 H GLU 10 H GLU 10 4.241 1.215 2.055 59 HA GLU 10 HA GLU 10 2.818 3.521 2.952 60 HB2 GLU 10 2HB GLU 10 4.308 2.621 0.519 61 HB3 GLU 10 1HB GLU 10 3.335 4.075 0.377 62 HG2 GLU 10 2HG GLU 10 5.868 4.204 1.149 63 HG3 GLU 10 1HG GLU 10 4.654 5.281 1.843 64 H CYS 11 H CYS 11 2.196 1.494 0.063 65 HA CYS 11 HA CYS 11 -0.529 2.636 -0.176 66 HB2 CYS 11 2HB CYS 11 1.440 1.149 -1.832 67 HB3 CYS 11 1HB CYS 11 -0.258 0.838 -2.193 68 H TYR 12 H TYR 12 1.001 -0.120 1.186 69 HA TYR 12 HA TYR 12 -0.882 -2.182 0.770 70 HB2 TYR 12 2HB TYR 12 1.158 -2.738 1.792 71 HB3 TYR 12 1HB TYR 12 1.043 -1.411 2.949 72 HD1 TYR 12 1HD TYR 12 -0.496 -4.690 2.011 73 HD2 TYR 12 2HD TYR 12 0.068 -1.737 5.082 74 HE1 TYR 12 1HE TYR 12 -1.515 -6.220 3.670 75 HE2 TYR 12 2HE TYR 12 -0.955 -3.270 6.740 76 HH TYR 12 HH TYR 12 -1.171 -6.244 6.602 77 H SER 13 H SER 13 -0.717 -0.000 3.623 78 HA SER 13 HA SER 13 -3.093 -0.764 4.895 79 HB2 SER 13 2HB SER 13 -2.959 1.967 5.269 80 HB3 SER 13 1HB SER 13 -2.007 0.784 6.161 81 HG SER 13 HG SER 13 -1.302 2.346 3.920 82 H TRP 14 H TRP 14 -2.736 0.944 1.881 83 HA TRP 14 HA TRP 14 -5.383 2.173 1.893 84 HB2 TRP 14 2HB TRP 14 -3.384 3.013 0.661 85 HB3 TRP 14 1HB TRP 14 -3.448 1.577 -0.368 86 HD1 TRP 14 HD TRP 14 -5.578 4.642 0.576 87 HE1 TRP 14 1HE TRP 14 -7.147 5.180 -1.396 88 HE3 TRP 14 3HE TRP 14 -4.513 0.706 -2.502 89 HZ2 TRP 14 2HZ TRP 14 -7.858 4.090 -3.939 90 HZ3 TRP 14 3HZ TRP 14 -5.652 0.482 -4.693 91 HH2 TRP 14 HH TRP 14 -7.321 2.167 -5.414 92 H CYS 15 H CYS 15 -4.009 -0.858 0.663 93 HA CYS 15 HA CYS 15 -6.505 -1.515 -0.752 94 HB2 CYS 15 2HB CYS 15 -5.074 -3.879 -0.652 95 HB3 CYS 15 1HB CYS 15 -4.993 -2.698 -1.942 96 H ILE 16 H ILE 16 -4.811 -2.778 2.138 97 HA ILE 16 HA ILE 16 -6.642 -4.766 2.904 98 HB ILE 16 HB ILE 16 -5.155 -2.731 4.597 99 HG12 ILE 16 2HG1 ILE 16 -4.040 -4.408 2.825 100 HG13 ILE 16 1HG1 ILE 16 -3.269 -4.029 4.358 101 HG21 ILE 16 1HG2 ILE 16 -6.252 -5.464 5.321 102 HG22 ILE 16 2HG2 ILE 16 -6.915 -3.919 5.859 103 HG23 ILE 16 3HG2 ILE 16 -5.306 -4.419 6.382 104 HD11 ILE 16 3HD1 ILE 16 -5.212 -6.293 4.336 105 HD12 ILE 16 1HD1 ILE 16 -3.710 -6.108 5.244 106 HD13 ILE 16 2HD1 ILE 16 -3.660 -6.558 3.540 107 H LYS 17 H LYS 17 -7.036 -1.318 2.840 108 HA LYS 17 HA LYS 17 -9.170 -1.019 4.738 109 HB2 LYS 17 2HB LYS 17 -8.037 0.925 4.054 110 HB3 LYS 17 1HB LYS 17 -8.072 0.462 2.355 111 HG2 LYS 17 2HG LYS 17 -10.609 0.753 2.467 112 HG3 LYS 17 1HG LYS 17 -10.355 1.516 4.036 113 HD2 LYS 17 2HD LYS 17 -8.667 3.037 2.841 114 HD3 LYS 17 1HD LYS 17 -9.356 2.428 1.335 115 HE2 LYS 17 2HE LYS 17 -10.570 4.440 1.847 116 HE3 LYS 17 1HE LYS 17 -11.649 3.107 2.298 117 HZ1 LYS 17 3HZ LYS 17 -11.652 4.047 4.316 118 HZ2 LYS 17 1HZ LYS 17 -10.299 5.012 3.985 119 HZ3 LYS 17 2HZ LYS 17 -10.090 3.405 4.493 120 H GLN 18 H GLN 18 -9.077 -2.044 1.368 121 HA GLN 18 HA GLN 18 -11.879 -1.726 0.792 122 HB2 GLN 18 2HB GLN 18 -9.882 -3.707 -0.342 123 HB3 GLN 18 1HB GLN 18 -11.312 -3.065 -1.151 124 HG2 GLN 18 2HG GLN 18 -8.769 -1.602 -0.417 125 HG3 GLN 18 1HG GLN 18 -9.495 -1.793 -2.015 126 HE21 GLN 18 1HE2 GLN 18 -8.885 0.704 -0.268 127 HE22 GLN 18 2HE2 GLN 18 -10.351 1.561 -0.275 128 H ASP 19 H ASP 19 -10.073 -4.111 2.576 129 HA ASP 19 HA ASP 19 -10.850 -5.945 3.859 130 HB2 ASP 19 2HB ASP 19 -12.842 -4.102 3.841 131 HB3 ASP 19 1HB ASP 19 -13.667 -5.450 3.050 132 H LEU 20 H LEU 20 -10.047 -6.426 1.140 133 HA LEU 20 HA LEU 20 -12.104 -8.267 0.029 134 HB2 LEU 20 2HB LEU 20 -9.345 -7.768 -1.078 135 HB3 LEU 20 1HB LEU 20 -10.825 -8.146 -1.952 136 HG LEU 20 HG LEU 20 -10.020 -5.534 -0.676 137 HD11 LEU 20 1HD1 LEU 20 -10.897 -4.809 -3.023 138 HD12 LEU 20 2HD1 LEU 20 -10.739 -6.519 -3.428 139 HD13 LEU 20 3HD1 LEU 20 -9.323 -5.599 -2.916 140 HD21 LEU 20 3HD2 LEU 20 -12.753 -6.624 -1.274 141 HD22 LEU 20 1HD2 LEU 20 -12.443 -4.908 -1.542 142 HD23 LEU 20 2HD2 LEU 20 -12.230 -5.603 0.065 143 H SER 21 H SER 21 -8.727 -8.328 1.163 144 HA SER 21 HA SER 21 -8.886 -10.841 2.482 145 HB2 SER 21 2HB SER 21 -9.246 -12.010 0.507 146 HB3 SER 21 1HB SER 21 -8.384 -10.823 -0.469 147 HG SER 21 HG SER 21 -7.355 -12.970 0.005 148 H LYS 22 H LYS 22 -7.047 -10.923 3.746 149 HA LYS 22 HA LYS 22 -5.083 -8.951 3.837 150 HB2 LYS 22 2HB LYS 22 -3.890 -10.503 5.247 151 HB3 LYS 22 1HB LYS 22 -5.607 -10.828 5.473 152 HG2 LYS 22 2HG LYS 22 -4.123 -12.352 3.354 153 HG3 LYS 22 1HG LYS 22 -3.910 -12.813 5.038 154 HD2 LYS 22 2HD LYS 22 -6.594 -12.594 4.996 155 HD3 LYS 22 1HD LYS 22 -6.316 -13.032 3.308 156 HE2 LYS 22 2HE LYS 22 -4.675 -14.659 5.082 157 HE3 LYS 22 1HE LYS 22 -6.399 -14.814 5.473 158 HZ1 LYS 22 3HZ LYS 22 -6.886 -15.198 3.159 159 HZ2 LYS 22 1HZ LYS 22 -5.717 -16.317 3.666 160 HZ3 LYS 22 2HZ LYS 22 -5.257 -14.973 2.733 161 H ASP 23 H ASP 23 -5.286 -11.671 1.649 162 HA ASP 23 HA ASP 23 -2.506 -11.345 0.703 163 HB2 ASP 23 2HB ASP 23 -4.011 -13.493 0.981 164 HB3 ASP 23 1HB ASP 23 -4.644 -13.016 -0.595 165 H TRP 24 H TRP 24 -5.622 -10.082 0.033 166 HA TRP 24 HA TRP 24 -5.356 -9.593 -2.794 167 HB2 TRP 24 2HB TRP 24 -7.508 -8.995 -2.420 168 HB3 TRP 24 1HB TRP 24 -7.237 -9.297 -0.705 169 HD1 TRP 24 HD TRP 24 -7.238 -7.260 0.879 170 HE1 TRP 24 1HE TRP 24 -7.493 -4.717 0.555 171 HE3 TRP 24 3HE TRP 24 -6.907 -6.991 -4.196 172 HZ2 TRP 24 2HZ TRP 24 -7.547 -2.817 -1.585 173 HZ3 TRP 24 3HZ TRP 24 -7.061 -4.807 -5.360 174 HH2 TRP 24 HH TRP 24 -7.381 -2.721 -4.060 175 H CYS 25 H CYS 25 -4.876 -7.444 0.048 176 HA CYS 25 HA CYS 25 -3.859 -5.224 -1.485 177 HB2 CYS 25 2HB CYS 25 -4.759 -4.973 0.761 178 HB3 CYS 25 1HB CYS 25 -3.558 -6.090 1.406 179 H CYS 26 H CYS 26 -2.140 -7.622 0.560 180 HA CYS 26 HA CYS 26 0.497 -6.883 0.176 181 HB2 CYS 26 2HB CYS 26 -0.714 -9.666 0.079 182 HB3 CYS 26 1HB CYS 26 0.973 -9.307 0.449 183 H ASP 27 H ASP 27 -1.627 -8.463 -2.175 184 HA ASP 27 HA ASP 27 0.553 -8.899 -4.104 185 HB2 ASP 27 2HB ASP 27 -1.846 -10.076 -3.579 186 HB3 ASP 27 1HB ASP 27 -2.299 -9.022 -4.920 187 H PHE 28 H PHE 28 -2.341 -6.801 -3.890 188 HA PHE 28 HA PHE 28 -2.109 -5.393 -6.300 189 HB2 PHE 28 2HB PHE 28 -4.003 -4.867 -5.090 190 HB3 PHE 28 1HB PHE 28 -3.151 -4.910 -3.547 191 HD1 PHE 28 2HD PHE 28 -1.912 -2.962 -2.732 192 HD2 PHE 28 1HD PHE 28 -4.060 -2.836 -6.448 193 HE1 PHE 28 2HE PHE 28 -1.735 -0.489 -2.748 194 HE2 PHE 28 1HE PHE 28 -3.881 -0.361 -6.466 195 HZ PHE 28 HZ PHE 28 -2.720 0.811 -4.616 196 H VAL 29 H VAL 29 -0.703 -4.364 -3.154 197 HA VAL 29 HA VAL 29 0.817 -2.192 -4.211 198 HB VAL 29 HB VAL 29 0.204 -2.583 -1.834 199 HG11 VAL 29 1HG1 VAL 29 2.354 -4.722 -1.936 200 HG12 VAL 29 2HG1 VAL 29 0.621 -5.048 -1.877 201 HG13 VAL 29 3HG1 VAL 29 1.414 -4.244 -0.520 202 HG21 VAL 29 3HG2 VAL 29 3.201 -2.466 -2.313 203 HG22 VAL 29 1HG2 VAL 29 2.357 -1.891 -0.874 204 HG23 VAL 29 2HG2 VAL 29 2.101 -1.091 -2.425 205 H LYS 30 H LYS 30 1.440 -5.638 -4.129 206 HA LYS 30 HA LYS 30 4.307 -5.516 -4.511 207 HB2 LYS 30 2HB LYS 30 2.365 -7.408 -3.964 208 HB3 LYS 30 1HB LYS 30 2.841 -7.820 -5.610 209 HG2 LYS 30 2HG LYS 30 5.024 -8.318 -5.004 210 HG3 LYS 30 1HG LYS 30 4.991 -7.242 -3.606 211 HD2 LYS 30 2HD LYS 30 4.973 -9.606 -2.897 212 HD3 LYS 30 1HD LYS 30 3.473 -8.800 -2.439 213 HE2 LYS 30 2HE LYS 30 2.342 -10.413 -3.561 214 HE3 LYS 30 1HE LYS 30 3.067 -9.812 -5.064 215 HZ1 LYS 30 3HZ LYS 30 4.470 -11.629 -3.182 216 HZ2 LYS 30 1HZ LYS 30 4.966 -11.179 -4.740 217 HZ3 LYS 30 2HZ LYS 30 3.607 -12.179 -4.538 218 H ASP 31 H ASP 31 1.535 -5.302 -6.661 219 HA ASP 31 HA ASP 31 3.079 -5.811 -9.099 220 HB2 ASP 31 2HB ASP 31 0.298 -5.235 -8.253 221 HB3 ASP 31 1HB ASP 31 0.719 -4.699 -9.880 222 H ILE 32 H ILE 32 2.386 -3.022 -7.123 223 HA ILE 32 HA ILE 32 2.871 -1.109 -9.322 224 HB ILE 32 HB ILE 32 2.461 0.535 -7.507 225 HG12 ILE 32 2HG1 ILE 32 1.909 -1.760 -5.648 226 HG13 ILE 32 1HG1 ILE 32 3.557 -1.149 -5.801 227 HG21 ILE 32 1HG2 ILE 32 0.674 -1.468 -8.488 228 HG22 ILE 32 2HG2 ILE 32 0.291 0.175 -7.973 229 HG23 ILE 32 3HG2 ILE 32 0.258 -1.145 -6.804 230 HD11 ILE 32 3HD1 ILE 32 1.362 0.844 -5.427 231 HD12 ILE 32 1HD1 ILE 32 3.034 0.900 -4.870 232 HD13 ILE 32 2HD1 ILE 32 1.858 -0.108 -4.028 233 H ARG 33 H ARG 33 5.085 -2.934 -8.629 234 HA ARG 33 HA ARG 33 7.418 -2.807 -8.240 235 HB2 ARG 33 2HB ARG 33 6.503 -0.073 -9.083 236 HB3 ARG 33 1HB ARG 33 8.185 -0.303 -8.606 237 HG2 ARG 33 2HG ARG 33 8.648 -1.697 -10.396 238 HG3 ARG 33 1HG ARG 33 6.980 -2.256 -10.525 239 HD2 ARG 33 2HD ARG 33 7.371 0.644 -11.022 240 HD3 ARG 33 1HD ARG 33 8.061 -0.443 -12.244 241 HE ARG 33 HE ARG 33 5.213 -0.120 -11.660 242 HH11 ARG 33 1HH2 ARG 33 7.723 -2.184 -12.828 243 HH12 ARG 33 2HH2 ARG 33 6.657 -3.142 -13.799 244 HH21 ARG 33 1HH1 ARG 33 3.818 -1.361 -12.922 245 HH22 ARG 33 2HH1 ARG 33 4.449 -2.677 -13.855 246 H MET 34 H MET 34 6.005 -2.927 -5.847 247 HA MET 34 HA MET 34 7.598 -1.070 -4.120 248 HB2 MET 34 2HB MET 34 4.656 -1.504 -4.341 249 HB3 MET 34 1HB MET 34 5.308 -1.283 -2.718 250 HG2 MET 34 2HG MET 34 5.896 0.593 -5.023 251 HG3 MET 34 1HG MET 34 4.603 0.861 -3.850 252 HE1 MET 34 3HE MET 34 5.418 2.912 -3.717 253 HE2 MET 34 1HE MET 34 7.116 3.387 -3.576 254 HE3 MET 34 2HE MET 34 6.098 3.317 -2.142 255 H ASN 35 H ASN 35 8.745 -2.255 -2.649 256 HA ASN 35 HA ASN 35 8.318 -5.120 -2.339 257 HB2 ASN 35 2HB ASN 35 10.519 -3.932 -2.301 258 HB3 ASN 35 1HB ASN 35 10.043 -3.158 -0.790 259 HD21 ASN 35 1HD2 ASN 35 10.290 -6.478 -2.196 260 HD22 ASN 35 2HD2 ASN 35 10.813 -7.207 -0.746 261 HA PRO 36 HA PRO 36 5.299 -4.304 0.901 262 HB2 PRO 36 2HB PRO 36 4.402 -6.876 1.057 263 HB3 PRO 36 1HB PRO 36 3.862 -5.741 -0.197 264 HG2 PRO 36 2HG PRO 36 5.851 -7.943 -0.368 265 HG3 PRO 36 1HG PRO 36 4.676 -7.387 -1.569 266 HD2 PRO 36 2HD PRO 36 7.346 -6.774 -1.637 267 HD3 PRO 36 1HD PRO 36 6.075 -5.779 -2.378 268 HA PRO 37 HA PRO 37 7.760 -5.721 4.270 269 HB2 PRO 37 2HB PRO 37 5.996 -5.211 6.297 270 HB3 PRO 37 1HB PRO 37 6.895 -3.932 5.457 271 HG2 PRO 37 2HG PRO 37 4.074 -4.794 5.119 272 HG3 PRO 37 1HG PRO 37 4.776 -3.174 5.037 273 HD2 PRO 37 2HD PRO 37 4.081 -4.676 2.845 274 HD3 PRO 37 1HD PRO 37 5.300 -3.380 2.828 275 H ALA 38 H ALA 38 7.657 -7.400 6.030 276 HA ALA 38 HA ALA 38 6.037 -9.715 5.151 277 HB1 ALA 38 1HB ALA 38 7.639 -10.335 7.387 278 HB2 ALA 38 2HB ALA 38 8.565 -9.157 6.457 279 HB3 ALA 38 3HB ALA 38 8.022 -10.652 5.694 280 H ASP 39 H ASP 39 6.893 -8.551 8.421 281 HA ASP 39 HA ASP 39 4.934 -9.720 9.944 282 HB2 ASP 39 2HB ASP 39 5.150 -7.714 11.398 283 HB3 ASP 39 1HB ASP 39 6.713 -8.237 10.768 284 H LYS 40 H LYS 40 4.485 -6.697 8.069 285 HA LYS 40 HA LYS 40 1.744 -6.286 8.857 286 HB2 LYS 40 2HB LYS 40 3.677 -4.875 7.578 287 HB3 LYS 40 1HB LYS 40 2.696 -5.372 6.198 288 HG2 LYS 40 2HG LYS 40 1.449 -3.542 6.721 289 HG3 LYS 40 1HG LYS 40 0.757 -4.595 7.957 290 HD2 LYS 40 2HD LYS 40 1.401 -2.708 9.195 291 HD3 LYS 40 1HD LYS 40 2.768 -3.801 9.417 292 HE2 LYS 40 2HE LYS 40 4.181 -2.510 8.134 293 HE3 LYS 40 1HE LYS 40 2.880 -1.992 7.045 294 HZ1 LYS 40 3HZ LYS 40 2.749 -0.136 8.240 295 HZ2 LYS 40 1HZ LYS 40 3.842 -0.719 9.398 296 HZ3 LYS 40 2HZ LYS 40 2.184 -1.060 9.549 297 H CYS 41 H CYS 41 3.227 -7.867 6.017 298 HA CYS 41 HA CYS 41 0.517 -8.815 5.180 299 HB2 CYS 41 2HB CYS 41 3.098 -8.129 3.884 300 HB3 CYS 41 1HB CYS 41 2.238 -9.505 3.183 301 HA PRO 42 HA PRO 42 2.322 -12.550 7.120 302 HB2 PRO 42 2HB PRO 42 -0.094 -13.594 7.871 303 HB3 PRO 42 1HB PRO 42 0.791 -12.404 8.846 304 HG2 PRO 42 2HG PRO 42 -1.519 -12.003 7.012 305 HG3 PRO 42 1HG PRO 42 -1.176 -11.250 8.577 306 HD2 PRO 42 2HD PRO 42 -0.748 -10.004 6.192 307 HD3 PRO 42 1HD PRO 42 0.192 -9.658 7.663 Start of MODEL 13 1 H1 ILE 1 H ILE 1 1.056 8.033 -13.528 2 HA ILE 1 HA ILE 1 -0.129 6.937 -11.155 3 HB ILE 1 HB ILE 1 2.177 5.925 -12.847 4 HG12 ILE 1 2HG1 ILE 1 -0.581 4.974 -13.341 5 HG13 ILE 1 1HG1 ILE 1 -0.285 6.656 -13.785 6 HG21 ILE 1 1HG2 ILE 1 1.457 3.723 -12.125 7 HG22 ILE 1 2HG2 ILE 1 0.074 4.410 -11.274 8 HG23 ILE 1 3HG2 ILE 1 1.710 4.717 -10.691 9 HD11 ILE 1 3HD1 ILE 1 0.184 4.998 -15.631 10 HD12 ILE 1 1HD1 ILE 1 1.498 4.363 -14.642 11 HD13 ILE 1 2HD1 ILE 1 1.553 6.030 -15.217 12 HA PRO 2 HA PRO 2 3.170 8.476 -8.519 13 HB2 PRO 2 2HB PRO 2 1.839 8.036 -6.172 14 HB3 PRO 2 1HB PRO 2 1.536 9.447 -7.206 15 HG2 PRO 2 2HG PRO 2 -0.060 6.976 -6.865 16 HG3 PRO 2 1HG PRO 2 -0.590 8.628 -7.209 17 HD2 PRO 2 2HD PRO 2 -0.393 6.581 -9.073 18 HD3 PRO 2 1HD PRO 2 -0.463 8.316 -9.453 19 H TYR 3 H TYR 3 3.957 7.348 -6.237 20 HA TYR 3 HA TYR 3 4.187 4.413 -6.830 21 HB2 TYR 3 2HB TYR 3 6.444 4.884 -5.492 22 HB3 TYR 3 1HB TYR 3 6.330 5.215 -7.221 23 HD1 TYR 3 2HD TYR 3 5.467 6.932 -3.984 24 HD2 TYR 3 1HD TYR 3 7.127 7.269 -7.929 25 HE1 TYR 3 2HE TYR 3 5.967 9.326 -3.568 26 HE2 TYR 3 1HE TYR 3 7.628 9.661 -7.516 27 HH TYR 3 HH TYR 3 7.109 11.436 -6.134 28 H CYS 4 H CYS 4 2.127 5.500 -5.146 29 HA CYS 4 HA CYS 4 1.257 5.312 -2.948 30 HB2 CYS 4 2HB CYS 4 2.760 2.941 -3.776 31 HB3 CYS 4 1HB CYS 4 2.638 3.076 -2.022 32 H GLY 5 H GLY 5 2.216 7.207 -1.974 33 HA2 GLY 5 2HA GLY 5 3.731 8.396 -0.607 34 HA3 GLY 5 1HA GLY 5 3.651 6.924 0.368 35 H GLN 6 H GLN 6 5.519 5.769 0.588 36 HA GLN 6 HA GLN 6 7.681 6.208 -1.440 37 HB2 GLN 6 2HB GLN 6 9.255 6.365 0.478 38 HB3 GLN 6 1HB GLN 6 8.024 7.632 0.535 39 HG2 GLN 6 2HG GLN 6 6.757 6.428 2.196 40 HG3 GLN 6 1HG GLN 6 7.779 5.001 2.018 41 HE21 GLN 6 1HE2 GLN 6 10.134 5.291 2.670 42 HE22 GLN 6 2HE2 GLN 6 10.498 6.405 3.909 43 H THR 7 H THR 7 5.856 3.974 0.418 44 HA THR 7 HA THR 7 7.551 1.752 -0.574 45 HB THR 7 HB THR 7 7.607 0.819 1.782 46 HG1 THR 7 1HG THR 7 7.190 3.379 2.756 47 HG21 THR 7 3HG2 THR 7 9.520 2.041 0.724 48 HG22 THR 7 1HG2 THR 7 9.475 2.205 2.479 49 HG23 THR 7 2HG2 THR 7 8.921 3.530 1.454 50 H GLY 8 H GLY 8 6.330 -0.123 -0.917 51 HA2 GLY 8 2HA GLY 8 3.511 0.043 -1.144 52 HA3 GLY 8 1HA GLY 8 4.417 -1.472 -1.106 53 H ALA 9 H ALA 9 5.520 -0.695 1.609 54 HA ALA 9 HA ALA 9 3.580 -2.071 3.220 55 HB1 ALA 9 1HB ALA 9 5.861 -2.173 3.849 56 HB2 ALA 9 2HB ALA 9 5.143 -1.109 5.058 57 HB3 ALA 9 3HB ALA 9 6.063 -0.427 3.717 58 H GLU 10 H GLU 10 4.563 1.386 3.187 59 HA GLU 10 HA GLU 10 2.661 2.293 5.099 60 HB2 GLU 10 2HB GLU 10 3.328 4.442 4.346 61 HB3 GLU 10 1HB GLU 10 4.720 3.418 3.996 62 HG2 GLU 10 2HG GLU 10 4.549 4.326 1.911 63 HG3 GLU 10 1HG GLU 10 3.282 3.116 1.700 64 H CYS 11 H CYS 11 2.321 1.507 1.694 65 HA CYS 11 HA CYS 11 -0.308 2.811 1.441 66 HB2 CYS 11 2HB CYS 11 1.762 2.039 -0.248 67 HB3 CYS 11 1HB CYS 11 0.502 0.853 -0.587 68 H TYR 12 H TYR 12 1.010 -0.407 2.024 69 HA TYR 12 HA TYR 12 -0.980 -2.202 1.462 70 HB2 TYR 12 2HB TYR 12 1.039 -2.816 2.611 71 HB3 TYR 12 1HB TYR 12 0.630 -1.804 3.996 72 HD1 TYR 12 1HD TYR 12 -0.441 -4.819 2.076 73 HD2 TYR 12 2HD TYR 12 -0.740 -2.613 5.750 74 HE1 TYR 12 1HE TYR 12 -1.676 -6.705 3.110 75 HE2 TYR 12 2HE TYR 12 -1.971 -4.498 6.784 76 HH TYR 12 HH TYR 12 -2.785 -6.535 6.501 77 H SER 13 H SER 13 -1.149 0.353 3.867 78 HA SER 13 HA SER 13 -3.474 -0.637 5.271 79 HB2 SER 13 2HB SER 13 -1.722 1.695 5.193 80 HB3 SER 13 1HB SER 13 -3.398 2.153 5.484 81 HG SER 13 HG SER 13 -1.689 1.140 7.199 82 H TRP 14 H TRP 14 -3.122 1.884 2.732 83 HA TRP 14 HA TRP 14 -5.897 2.491 2.473 84 HB2 TRP 14 2HB TRP 14 -4.182 3.914 1.561 85 HB3 TRP 14 1HB TRP 14 -3.538 2.598 0.573 86 HD1 TRP 14 HD TRP 14 -6.649 4.843 0.879 87 HE1 TRP 14 1HE TRP 14 -7.796 4.962 -1.428 88 HE3 TRP 14 3HE TRP 14 -3.781 1.501 -1.708 89 HZ2 TRP 14 2HZ TRP 14 -7.531 3.797 -4.024 90 HZ3 TRP 14 3HZ TRP 14 -4.250 1.027 -4.096 91 HH2 TRP 14 HH TRP 14 -6.119 2.169 -5.256 92 H CYS 15 H CYS 15 -3.930 0.494 0.229 93 HA CYS 15 HA CYS 15 -5.903 -0.543 -1.409 94 HB2 CYS 15 2HB CYS 15 -4.381 -2.446 -1.682 95 HB3 CYS 15 1HB CYS 15 -3.444 -0.962 -1.502 96 H ILE 16 H ILE 16 -5.196 -1.535 1.926 97 HA ILE 16 HA ILE 16 -6.915 -3.870 1.899 98 HB ILE 16 HB ILE 16 -5.738 -2.130 4.084 99 HG12 ILE 16 2HG1 ILE 16 -4.278 -3.498 2.427 100 HG13 ILE 16 1HG1 ILE 16 -3.972 -3.695 4.150 101 HG21 ILE 16 1HG2 ILE 16 -6.150 -4.490 5.301 102 HG22 ILE 16 2HG2 ILE 16 -7.500 -4.534 4.167 103 HG23 ILE 16 3HG2 ILE 16 -7.358 -3.204 5.318 104 HD11 ILE 16 3HD1 ILE 16 -4.226 -5.816 2.599 105 HD12 ILE 16 1HD1 ILE 16 -5.949 -5.510 2.813 106 HD13 ILE 16 2HD1 ILE 16 -4.927 -5.812 4.218 107 H LYS 17 H LYS 17 -7.507 -0.450 2.312 108 HA LYS 17 HA LYS 17 -9.785 -0.385 3.945 109 HB2 LYS 17 2HB LYS 17 -8.430 1.438 2.603 110 HB3 LYS 17 1HB LYS 17 -9.670 1.172 1.376 111 HG2 LYS 17 2HG LYS 17 -11.243 1.377 3.569 112 HG3 LYS 17 1HG LYS 17 -9.906 2.415 4.065 113 HD2 LYS 17 2HD LYS 17 -10.919 4.037 2.859 114 HD3 LYS 17 1HD LYS 17 -10.340 3.173 1.435 115 HE2 LYS 17 2HE LYS 17 -12.680 3.377 1.057 116 HE3 LYS 17 1HE LYS 17 -12.513 1.736 1.715 117 HZ1 LYS 17 3HZ LYS 17 -13.565 4.143 2.986 118 HZ2 LYS 17 1HZ LYS 17 -12.627 3.121 3.961 119 HZ3 LYS 17 2HZ LYS 17 -14.019 2.519 3.194 120 H GLN 18 H GLN 18 -9.459 -1.659 0.691 121 HA GLN 18 HA GLN 18 -12.207 -1.674 -0.092 122 HB2 GLN 18 2HB GLN 18 -9.995 -3.665 -0.697 123 HB3 GLN 18 1HB GLN 18 -11.431 -3.373 -1.680 124 HG2 GLN 18 2HG GLN 18 -9.117 -1.491 -1.170 125 HG3 GLN 18 1HG GLN 18 -9.680 -2.127 -2.720 126 HE21 GLN 18 1HE2 GLN 18 -9.768 0.634 -0.843 127 HE22 GLN 18 2HE2 GLN 18 -11.199 1.325 -1.437 128 H ASP 19 H ASP 19 -10.367 -3.704 2.097 129 HA ASP 19 HA ASP 19 -11.144 -5.282 3.680 130 HB2 ASP 19 2HB ASP 19 -13.140 -3.596 3.495 131 HB3 ASP 19 1HB ASP 19 -13.916 -4.888 2.573 132 H LEU 20 H LEU 20 -10.356 -6.041 0.897 133 HA LEU 20 HA LEU 20 -12.185 -8.202 0.105 134 HB2 LEU 20 2HB LEU 20 -9.331 -7.815 -0.790 135 HB3 LEU 20 1HB LEU 20 -10.683 -8.457 -1.714 136 HG LEU 20 HG LEU 20 -10.062 -5.599 -1.007 137 HD11 LEU 20 1HD1 LEU 20 -11.043 -6.889 -3.564 138 HD12 LEU 20 2HD1 LEU 20 -9.339 -6.664 -3.171 139 HD13 LEU 20 3HD1 LEU 20 -10.390 -5.263 -3.375 140 HD21 LEU 20 3HD2 LEU 20 -12.263 -5.293 -0.506 141 HD22 LEU 20 1HD2 LEU 20 -12.712 -6.880 -1.130 142 HD23 LEU 20 2HD2 LEU 20 -12.540 -5.515 -2.233 143 H SER 21 H SER 21 -8.878 -8.002 1.467 144 HA SER 21 HA SER 21 -9.109 -10.085 3.349 145 HB2 SER 21 2HB SER 21 -8.940 -10.918 0.532 146 HB3 SER 21 1HB SER 21 -7.746 -11.702 1.562 147 HG SER 21 HG SER 21 -10.567 -11.673 1.793 148 H LYS 22 H LYS 22 -6.770 -11.140 3.728 149 HA LYS 22 HA LYS 22 -4.873 -8.928 3.889 150 HB2 LYS 22 2HB LYS 22 -5.331 -11.012 5.436 151 HB3 LYS 22 1HB LYS 22 -4.219 -11.836 4.341 152 HG2 LYS 22 2HG LYS 22 -2.408 -10.520 4.965 153 HG3 LYS 22 1HG LYS 22 -3.428 -9.169 5.461 154 HD2 LYS 22 2HD LYS 22 -4.136 -10.354 7.452 155 HD3 LYS 22 1HD LYS 22 -3.308 -11.820 6.927 156 HE2 LYS 22 2HE LYS 22 -1.392 -9.698 6.879 157 HE3 LYS 22 1HE LYS 22 -2.221 -9.654 8.448 158 HZ1 LYS 22 3HZ LYS 22 -0.410 -11.251 8.496 159 HZ2 LYS 22 1HZ LYS 22 -1.061 -12.068 7.160 160 HZ3 LYS 22 2HZ LYS 22 -1.902 -12.049 8.637 161 H ASP 23 H ASP 23 -5.252 -11.802 1.862 162 HA ASP 23 HA ASP 23 -2.671 -11.480 0.523 163 HB2 ASP 23 2HB ASP 23 -3.435 -13.382 -0.749 164 HB3 ASP 23 1HB ASP 23 -4.019 -13.623 0.897 165 H TRP 24 H TRP 24 -5.845 -10.178 0.247 166 HA TRP 24 HA TRP 24 -6.097 -9.571 -2.491 167 HB2 TRP 24 2HB TRP 24 -7.972 -8.923 -1.372 168 HB3 TRP 24 1HB TRP 24 -7.082 -8.658 0.125 169 HD1 TRP 24 HD TRP 24 -7.567 -6.276 0.861 170 HE1 TRP 24 1HE TRP 24 -7.561 -3.957 -0.266 171 HE3 TRP 24 3HE TRP 24 -6.664 -7.646 -3.969 172 HZ2 TRP 24 2HZ TRP 24 -7.213 -2.831 -2.876 173 HZ3 TRP 24 3HZ TRP 24 -6.497 -5.937 -5.757 174 HH2 TRP 24 HH TRP 24 -6.772 -3.532 -5.217 175 H CYS 25 H CYS 25 -4.475 -7.652 0.077 176 HA CYS 25 HA CYS 25 -3.351 -5.857 -2.006 177 HB2 CYS 25 2HB CYS 25 -4.340 -5.052 0.176 178 HB3 CYS 25 1HB CYS 25 -2.988 -5.832 1.004 179 H CYS 26 H CYS 26 -2.370 -8.492 0.090 180 HA CYS 26 HA CYS 26 0.375 -8.231 0.342 181 HB2 CYS 26 2HB CYS 26 -1.307 -10.154 0.888 182 HB3 CYS 26 1HB CYS 26 -0.879 -10.768 -0.709 183 H ASP 27 H ASP 27 -1.412 -9.242 -2.569 184 HA ASP 27 HA ASP 27 1.052 -9.412 -4.179 185 HB2 ASP 27 2HB ASP 27 -1.828 -10.073 -4.370 186 HB3 ASP 27 1HB ASP 27 -1.064 -9.619 -5.894 187 H PHE 28 H PHE 28 -1.454 -7.077 -3.469 188 HA PHE 28 HA PHE 28 -1.394 -5.455 -5.790 189 HB2 PHE 28 2HB PHE 28 -3.030 -5.168 -4.042 190 HB3 PHE 28 1HB PHE 28 -1.770 -4.836 -2.847 191 HD1 PHE 28 2HD PHE 28 -3.016 -3.578 -6.162 192 HD2 PHE 28 1HD PHE 28 -1.222 -2.618 -2.378 193 HE1 PHE 28 2HE PHE 28 -3.104 -1.165 -6.732 194 HE2 PHE 28 1HE PHE 28 -1.310 -0.206 -2.949 195 HZ PHE 28 HZ PHE 28 -2.251 0.519 -5.126 196 H VAL 29 H VAL 29 0.366 -4.704 -2.738 197 HA VAL 29 HA VAL 29 1.999 -2.661 -3.772 198 HB VAL 29 HB VAL 29 3.503 -3.284 -1.874 199 HG11 VAL 29 1HG1 VAL 29 1.379 -1.995 -1.532 200 HG12 VAL 29 2HG1 VAL 29 1.854 -2.944 -0.122 201 HG13 VAL 29 3HG1 VAL 29 0.561 -3.517 -1.176 202 HG21 VAL 29 3HG2 VAL 29 1.695 -5.712 -1.821 203 HG22 VAL 29 1HG2 VAL 29 2.720 -5.237 -0.466 204 HG23 VAL 29 2HG2 VAL 29 3.449 -5.683 -2.010 205 H LYS 30 H LYS 30 2.299 -6.148 -4.139 206 HA LYS 30 HA LYS 30 5.036 -6.077 -5.152 207 HB2 LYS 30 2HB LYS 30 3.135 -7.956 -4.257 208 HB3 LYS 30 1HB LYS 30 3.435 -8.365 -5.946 209 HG2 LYS 30 2HG LYS 30 5.714 -8.746 -5.587 210 HG3 LYS 30 1HG LYS 30 5.744 -7.775 -4.115 211 HD2 LYS 30 2HD LYS 30 5.106 -9.520 -2.814 212 HD3 LYS 30 1HD LYS 30 3.898 -10.057 -3.982 213 HE2 LYS 30 2HE LYS 30 6.008 -10.799 -5.389 214 HE3 LYS 30 1HE LYS 30 6.808 -10.786 -3.805 215 HZ1 LYS 30 3HZ LYS 30 5.562 -12.903 -4.509 216 HZ2 LYS 30 1HZ LYS 30 4.154 -12.029 -4.150 217 HZ3 LYS 30 2HZ LYS 30 5.310 -12.308 -2.937 218 H ASP 31 H ASP 31 1.800 -5.845 -6.515 219 HA ASP 31 HA ASP 31 2.681 -6.225 -9.287 220 HB2 ASP 31 2HB ASP 31 0.479 -6.928 -8.703 221 HB3 ASP 31 1HB ASP 31 0.130 -5.405 -7.884 222 H ILE 32 H ILE 32 2.128 -3.516 -7.098 223 HA ILE 32 HA ILE 32 2.289 -1.532 -9.281 224 HB ILE 32 HB ILE 32 1.962 0.050 -7.387 225 HG12 ILE 32 2HG1 ILE 32 1.901 -2.419 -5.632 226 HG13 ILE 32 1HG1 ILE 32 3.311 -1.370 -5.766 227 HG21 ILE 32 1HG2 ILE 32 0.025 -2.087 -6.723 228 HG22 ILE 32 2HG2 ILE 32 0.152 -1.693 -8.437 229 HG23 ILE 32 3HG2 ILE 32 -0.264 -0.436 -7.271 230 HD11 ILE 32 3HD1 ILE 32 0.980 0.252 -5.335 231 HD12 ILE 32 1HD1 ILE 32 2.402 0.083 -4.307 232 HD13 ILE 32 2HD1 ILE 32 1.034 -1.011 -4.106 233 H ARG 33 H ARG 33 4.609 -3.335 -8.646 234 HA ARG 33 HA ARG 33 6.956 -3.146 -8.494 235 HB2 ARG 33 2HB ARG 33 5.851 -0.961 -9.900 236 HB3 ARG 33 1HB ARG 33 7.092 -0.280 -8.847 237 HG2 ARG 33 2HG ARG 33 7.632 -2.743 -10.504 238 HG3 ARG 33 1HG ARG 33 7.836 -1.126 -11.177 239 HD2 ARG 33 2HD ARG 33 9.075 -1.626 -8.509 240 HD3 ARG 33 1HD ARG 33 9.852 -2.379 -9.918 241 HE ARG 33 HE ARG 33 9.212 0.287 -10.633 242 HH11 ARG 33 1HH2 ARG 33 11.215 -1.471 -8.436 243 HH12 ARG 33 2HH2 ARG 33 12.439 -0.248 -8.374 244 HH21 ARG 33 1HH1 ARG 33 10.802 1.887 -10.557 245 HH22 ARG 33 2HH1 ARG 33 12.206 1.647 -9.571 246 H MET 34 H MET 34 5.515 -2.948 -5.980 247 HA MET 34 HA MET 34 7.283 -1.014 -4.509 248 HB2 MET 34 2HB MET 34 4.400 -1.766 -4.324 249 HB3 MET 34 1HB MET 34 5.233 -1.417 -2.811 250 HG2 MET 34 2HG MET 34 5.306 0.426 -5.213 251 HG3 MET 34 1HG MET 34 4.146 0.593 -3.890 252 HE1 MET 34 3HE MET 34 6.944 3.030 -4.530 253 HE2 MET 34 1HE MET 34 6.836 1.552 -5.497 254 HE3 MET 34 2HE MET 34 8.250 1.847 -4.489 255 H ASN 35 H ASN 35 7.507 -1.815 -2.106 256 HA ASN 35 HA ASN 35 8.169 -4.733 -2.204 257 HB2 ASN 35 2HB ASN 35 9.789 -2.651 -1.755 258 HB3 ASN 35 1HB ASN 35 9.193 -2.862 -0.108 259 HD21 ASN 35 1HD2 ASN 35 10.999 -3.866 0.872 260 HD22 ASN 35 2HD2 ASN 35 11.663 -5.345 0.337 261 HA PRO 36 HA PRO 36 4.863 -5.157 0.744 262 HB2 PRO 36 2HB PRO 36 5.248 -7.810 1.263 263 HB3 PRO 36 1HB PRO 36 4.442 -7.220 -0.206 264 HG2 PRO 36 2HG PRO 36 7.227 -8.193 0.167 265 HG3 PRO 36 1HG PRO 36 6.130 -8.412 -1.205 266 HD2 PRO 36 2HD PRO 36 8.181 -6.600 -1.165 267 HD3 PRO 36 1HD PRO 36 6.716 -6.417 -2.155 268 HA PRO 37 HA PRO 37 7.200 -4.817 4.462 269 HB2 PRO 37 2HB PRO 37 5.118 -4.837 6.238 270 HB3 PRO 37 1HB PRO 37 5.514 -3.431 5.229 271 HG2 PRO 37 2HG PRO 37 3.368 -5.451 4.899 272 HG3 PRO 37 1HG PRO 37 3.365 -3.723 4.519 273 HD2 PRO 37 2HD PRO 37 3.662 -5.740 2.659 274 HD3 PRO 37 1HD PRO 37 4.194 -4.058 2.429 275 H ALA 38 H ALA 38 7.969 -6.212 6.111 276 HA ALA 38 HA ALA 38 7.267 -9.055 5.802 277 HB1 ALA 38 1HB ALA 38 9.411 -7.368 6.905 278 HB2 ALA 38 2HB ALA 38 9.512 -8.969 6.170 279 HB3 ALA 38 3HB ALA 38 9.083 -8.805 7.873 280 H ASP 39 H ASP 39 5.580 -6.790 7.271 281 HA ASP 39 HA ASP 39 5.240 -8.223 9.874 282 HB2 ASP 39 2HB ASP 39 4.459 -5.476 8.852 283 HB3 ASP 39 1HB ASP 39 4.027 -6.082 10.452 284 H LYS 40 H LYS 40 3.626 -7.390 6.869 285 HA LYS 40 HA LYS 40 1.068 -8.549 7.909 286 HB2 LYS 40 2HB LYS 40 1.795 -6.742 5.586 287 HB3 LYS 40 1HB LYS 40 0.177 -7.403 5.818 288 HG2 LYS 40 2HG LYS 40 1.661 -5.751 7.883 289 HG3 LYS 40 1HG LYS 40 0.438 -5.111 6.786 290 HD2 LYS 40 2HD LYS 40 -1.128 -5.720 8.283 291 HD3 LYS 40 1HD LYS 40 -0.723 -7.401 7.936 292 HE2 LYS 40 2HE LYS 40 0.882 -7.477 9.731 293 HE3 LYS 40 1HE LYS 40 0.784 -5.720 9.966 294 HZ1 LYS 40 3HZ LYS 40 -0.647 -7.178 11.475 295 HZ2 LYS 40 1HZ LYS 40 -1.621 -7.433 10.111 296 HZ3 LYS 40 2HZ LYS 40 -1.404 -5.861 10.716 297 H CYS 41 H CYS 41 3.573 -8.894 5.447 298 HA CYS 41 HA CYS 41 2.318 -11.491 4.636 299 HB2 CYS 41 2HB CYS 41 3.260 -9.135 3.029 300 HB3 CYS 41 1HB CYS 41 3.374 -10.752 2.326 301 HA PRO 42 HA PRO 42 6.501 -12.686 5.650 302 HB2 PRO 42 2HB PRO 42 6.106 -15.375 5.357 303 HB3 PRO 42 1HB PRO 42 5.568 -14.473 6.787 304 HG2 PRO 42 2HG PRO 42 3.999 -15.454 4.470 305 HG3 PRO 42 1HG PRO 42 3.537 -15.311 6.173 306 HD2 PRO 42 2HD PRO 42 2.793 -13.549 4.179 307 HD3 PRO 42 1HD PRO 42 2.813 -13.173 5.917 Start of MODEL 14 1 H1 ILE 1 H ILE 1 -5.044 5.033 10.035 2 HA ILE 1 HA ILE 1 -5.430 7.913 9.312 3 HB ILE 1 HB ILE 1 -3.680 7.888 10.945 4 HG12 ILE 1 2HG1 ILE 1 -1.952 7.605 8.527 5 HG13 ILE 1 1HG1 ILE 1 -3.234 8.815 8.458 6 HG21 ILE 1 1HG2 ILE 1 -2.924 5.775 11.356 7 HG22 ILE 1 2HG2 ILE 1 -1.682 6.194 10.175 8 HG23 ILE 1 3HG2 ILE 1 -3.105 5.280 9.672 9 HD11 ILE 1 3HD1 ILE 1 -2.400 9.693 10.679 10 HD12 ILE 1 1HD1 ILE 1 -1.274 9.907 9.337 11 HD13 ILE 1 2HD1 ILE 1 -1.015 8.614 10.508 12 HA PRO 2 HA PRO 2 -4.987 5.221 5.609 13 HB2 PRO 2 2HB PRO 2 -6.971 6.441 4.173 14 HB3 PRO 2 1HB PRO 2 -7.277 5.127 5.331 15 HG2 PRO 2 2HG PRO 2 -7.666 8.055 5.647 16 HG3 PRO 2 1HG PRO 2 -8.633 6.710 6.270 17 HD2 PRO 2 2HD PRO 2 -6.837 8.152 7.770 18 HD3 PRO 2 1HD PRO 2 -7.347 6.489 8.141 19 H TYR 3 H TYR 3 -2.943 6.241 5.151 20 HA TYR 3 HA TYR 3 -3.156 8.511 3.232 21 HB2 TYR 3 2HB TYR 3 -1.654 9.838 4.447 22 HB3 TYR 3 1HB TYR 3 -2.577 9.072 5.742 23 HD1 TYR 3 2HD TYR 3 -1.632 6.923 6.790 24 HD2 TYR 3 1HD TYR 3 0.680 9.541 4.288 25 HE1 TYR 3 2HE TYR 3 0.460 5.946 7.697 26 HE2 TYR 3 1HE TYR 3 2.770 8.563 5.193 27 HH TYR 3 HH TYR 3 3.382 6.223 6.284 28 H CYS 4 H CYS 4 -2.133 7.868 1.389 29 HA CYS 4 HA CYS 4 -0.241 5.595 1.479 30 HB2 CYS 4 2HB CYS 4 -2.162 5.704 -0.097 31 HB3 CYS 4 1HB CYS 4 -1.468 7.155 -0.818 32 H GLY 5 H GLY 5 1.608 6.712 2.387 33 HA2 GLY 5 2HA GLY 5 2.795 9.097 1.661 34 HA3 GLY 5 1HA GLY 5 3.748 7.651 2.023 35 H GLN 6 H GLN 6 4.294 6.225 0.221 36 HA GLN 6 HA GLN 6 3.659 6.838 -2.516 37 HB2 GLN 6 2HB GLN 6 5.783 8.347 -1.153 38 HB3 GLN 6 1HB GLN 6 6.320 7.593 -2.660 39 HG2 GLN 6 2HG GLN 6 3.782 8.643 -3.240 40 HG3 GLN 6 1HG GLN 6 4.578 9.888 -2.279 41 HE21 GLN 6 1HE2 GLN 6 4.262 8.730 -5.434 42 HE22 GLN 6 2HE2 GLN 6 5.671 9.425 -6.101 43 H THR 7 H THR 7 4.161 4.569 -0.617 44 HA THR 7 HA THR 7 5.982 3.014 -2.394 45 HB THR 7 HB THR 7 6.845 2.050 -0.102 46 HG1 THR 7 1HG THR 7 5.155 3.600 0.859 47 HG21 THR 7 3HG2 THR 7 7.661 4.857 -0.884 48 HG22 THR 7 1HG2 THR 7 8.126 3.424 -1.801 49 HG23 THR 7 2HG2 THR 7 8.666 3.618 -0.133 50 H GLY 8 H GLY 8 5.895 0.590 -1.257 51 HA2 GLY 8 2HA GLY 8 3.048 -0.130 -1.433 52 HA3 GLY 8 1HA GLY 8 4.403 -1.261 -1.354 53 H ALA 9 H ALA 9 5.600 -0.033 1.014 54 HA ALA 9 HA ALA 9 4.179 -1.494 3.055 55 HB1 ALA 9 1HB ALA 9 6.321 -1.318 3.759 56 HB2 ALA 9 2HB ALA 9 5.927 0.322 4.272 57 HB3 ALA 9 3HB ALA 9 6.626 0.040 2.678 58 H GLU 10 H GLU 10 4.518 2.016 2.414 59 HA GLU 10 HA GLU 10 2.893 2.843 4.657 60 HB2 GLU 10 2HB GLU 10 3.469 4.271 2.043 61 HB3 GLU 10 1HB GLU 10 3.070 5.018 3.590 62 HG2 GLU 10 2HG GLU 10 5.583 3.490 2.875 63 HG3 GLU 10 1HG GLU 10 5.448 5.186 3.346 64 H CYS 11 H CYS 11 2.196 2.295 1.204 65 HA CYS 11 HA CYS 11 -0.577 3.171 1.405 66 HB2 CYS 11 2HB CYS 11 1.265 2.849 -0.570 67 HB3 CYS 11 1HB CYS 11 0.311 1.383 -0.787 68 H TYR 12 H TYR 12 1.092 0.098 1.836 69 HA TYR 12 HA TYR 12 -0.917 -1.774 1.301 70 HB2 TYR 12 2HB TYR 12 1.406 -2.235 2.013 71 HB3 TYR 12 1HB TYR 12 0.999 -1.709 3.647 72 HD1 TYR 12 2HD TYR 12 -0.495 -3.028 5.068 73 HD2 TYR 12 1HD TYR 12 0.542 -4.345 1.112 74 HE1 TYR 12 2HE TYR 12 -1.389 -5.280 5.583 75 HE2 TYR 12 1HE TYR 12 -0.347 -6.601 1.633 76 HH TYR 12 HH TYR 12 -1.544 -7.397 4.883 77 H SER 13 H SER 13 -0.807 0.576 3.874 78 HA SER 13 HA SER 13 -2.686 -0.748 5.647 79 HB2 SER 13 2HB SER 13 -1.507 1.999 5.316 80 HB3 SER 13 1HB SER 13 -2.797 1.734 6.487 81 HG SER 13 HG SER 13 -1.306 -0.186 7.038 82 H TRP 14 H TRP 14 -3.038 1.347 2.852 83 HA TRP 14 HA TRP 14 -5.839 2.010 3.445 84 HB2 TRP 14 2HB TRP 14 -4.565 3.646 2.294 85 HB3 TRP 14 1HB TRP 14 -3.881 2.452 1.187 86 HD1 TRP 14 HD TRP 14 -6.992 4.542 1.812 87 HE1 TRP 14 1HE TRP 14 -8.517 4.420 -0.264 88 HE3 TRP 14 3HE TRP 14 -4.552 0.942 -0.857 89 HZ2 TRP 14 2HZ TRP 14 -8.677 2.981 -2.736 90 HZ3 TRP 14 3HZ TRP 14 -5.406 0.214 -3.065 91 HH2 TRP 14 HH TRP 14 -7.465 1.227 -4.008 92 H CYS 15 H CYS 15 -4.213 0.178 0.829 93 HA CYS 15 HA CYS 15 -6.394 -0.874 -0.525 94 HB2 CYS 15 2HB CYS 15 -4.818 -2.784 -0.985 95 HB3 CYS 15 1HB CYS 15 -4.075 -1.194 -1.169 96 H ILE 16 H ILE 16 -5.392 -1.681 2.737 97 HA ILE 16 HA ILE 16 -6.867 -4.224 2.789 98 HB ILE 16 HB ILE 16 -5.665 -2.573 5.029 99 HG12 ILE 16 2HG1 ILE 16 -4.145 -3.136 3.029 100 HG13 ILE 16 1HG1 ILE 16 -3.586 -3.655 4.618 101 HG21 ILE 16 1HG2 ILE 16 -6.399 -5.498 4.729 102 HG22 ILE 16 2HG2 ILE 16 -7.069 -4.340 5.878 103 HG23 ILE 16 3HG2 ILE 16 -5.398 -4.878 6.043 104 HD11 ILE 16 3HD1 ILE 16 -3.295 -5.498 3.068 105 HD12 ILE 16 1HD1 ILE 16 -4.968 -5.362 2.530 106 HD13 ILE 16 2HD1 ILE 16 -4.611 -5.906 4.169 107 H LYS 17 H LYS 17 -7.602 -0.875 3.388 108 HA LYS 17 HA LYS 17 -9.731 -1.225 5.294 109 HB2 LYS 17 2HB LYS 17 -8.469 0.881 4.689 110 HB3 LYS 17 1HB LYS 17 -9.376 0.915 3.175 111 HG2 LYS 17 2HG LYS 17 -11.436 1.242 4.281 112 HG3 LYS 17 1HG LYS 17 -10.781 0.742 5.839 113 HD2 LYS 17 2HD LYS 17 -9.161 2.885 5.073 114 HD3 LYS 17 1HD LYS 17 -10.788 3.383 4.608 115 HE2 LYS 17 2HE LYS 17 -11.015 2.157 7.169 116 HE3 LYS 17 1HE LYS 17 -9.656 3.297 7.250 117 HZ1 LYS 17 3HZ LYS 17 -11.096 4.930 6.089 118 HZ2 LYS 17 1HZ LYS 17 -11.662 4.516 7.633 119 HZ3 LYS 17 2HZ LYS 17 -12.401 3.853 6.254 120 H GLN 18 H GLN 18 -9.495 -1.801 1.876 121 HA GLN 18 HA GLN 18 -12.262 -1.493 1.149 122 HB2 GLN 18 2HB GLN 18 -9.949 -3.144 0.092 123 HB3 GLN 18 1HB GLN 18 -11.499 -3.022 -0.740 124 HG2 GLN 18 2HG GLN 18 -9.571 -0.771 -0.109 125 HG3 GLN 18 1HG GLN 18 -10.048 -1.359 -1.706 126 HE21 GLN 18 1HE2 GLN 18 -10.922 0.793 0.887 127 HE22 GLN 18 2HE2 GLN 18 -12.379 1.344 0.215 128 H ASP 19 H ASP 19 -10.578 -3.870 3.000 129 HA ASP 19 HA ASP 19 -11.385 -5.780 4.130 130 HB2 ASP 19 2HB ASP 19 -13.632 -4.085 3.504 131 HB3 ASP 19 1HB ASP 19 -14.120 -5.778 3.374 132 H LEU 20 H LEU 20 -10.351 -6.028 1.416 133 HA LEU 20 HA LEU 20 -12.128 -7.995 0.084 134 HB2 LEU 20 2HB LEU 20 -9.311 -7.261 -0.711 135 HB3 LEU 20 1HB LEU 20 -10.658 -7.723 -1.748 136 HG LEU 20 HG LEU 20 -10.196 -5.096 -0.339 137 HD11 LEU 20 1HD1 LEU 20 -9.309 -4.899 -2.462 138 HD12 LEU 20 2HD1 LEU 20 -10.983 -4.461 -2.804 139 HD13 LEU 20 3HD1 LEU 20 -10.411 -6.094 -3.146 140 HD21 LEU 20 3HD2 LEU 20 -12.475 -5.448 0.169 141 HD22 LEU 20 1HD2 LEU 20 -12.768 -6.317 -1.337 142 HD23 LEU 20 2HD2 LEU 20 -12.539 -4.569 -1.359 143 H SER 21 H SER 21 -8.683 -7.944 1.067 144 HA SER 21 HA SER 21 -8.773 -10.344 2.629 145 HB2 SER 21 2HB SER 21 -9.309 -10.990 0.123 146 HB3 SER 21 1HB SER 21 -7.568 -10.834 -0.082 147 HG SER 21 HG SER 21 -9.057 -12.709 1.308 148 H LYS 22 H LYS 22 -6.842 -10.407 3.769 149 HA LYS 22 HA LYS 22 -4.874 -8.419 3.631 150 HB2 LYS 22 2HB LYS 22 -3.468 -10.239 4.797 151 HB3 LYS 22 1HB LYS 22 -5.017 -9.835 5.538 152 HG2 LYS 22 2HG LYS 22 -5.823 -11.909 5.185 153 HG3 LYS 22 1HG LYS 22 -5.306 -11.893 3.497 154 HD2 LYS 22 2HD LYS 22 -2.952 -12.315 4.330 155 HD3 LYS 22 1HD LYS 22 -3.650 -12.607 5.923 156 HE2 LYS 22 2HE LYS 22 -5.096 -14.393 4.929 157 HE3 LYS 22 1HE LYS 22 -4.270 -14.150 3.377 158 HZ1 LYS 22 3HZ LYS 22 -3.346 -15.525 5.697 159 HZ2 LYS 22 1HZ LYS 22 -2.268 -14.288 5.263 160 HZ3 LYS 22 2HZ LYS 22 -2.679 -15.489 4.135 161 H ASP 23 H ASP 23 -5.181 -11.347 1.715 162 HA ASP 23 HA ASP 23 -2.491 -11.157 0.571 163 HB2 ASP 23 2HB ASP 23 -3.783 -13.273 0.890 164 HB3 ASP 23 1HB ASP 23 -4.967 -12.697 -0.283 165 H TRP 24 H TRP 24 -5.524 -9.651 0.064 166 HA TRP 24 HA TRP 24 -5.545 -9.178 -2.745 167 HB2 TRP 24 2HB TRP 24 -7.230 -8.709 -0.775 168 HB3 TRP 24 1HB TRP 24 -6.407 -7.148 -0.694 169 HD1 TRP 24 HD TRP 24 -8.834 -9.150 -2.762 170 HE1 TRP 24 1HE TRP 24 -9.721 -7.700 -4.700 171 HE3 TRP 24 3HE TRP 24 -5.716 -5.131 -2.352 172 HZ2 TRP 24 2HZ TRP 24 -9.183 -5.165 -5.910 173 HZ3 TRP 24 3HZ TRP 24 -5.924 -3.211 -3.907 174 HH2 TRP 24 HH TRP 24 -7.654 -3.223 -5.683 175 H CYS 25 H CYS 25 -3.951 -7.452 -0.073 176 HA CYS 25 HA CYS 25 -2.782 -5.487 -1.963 177 HB2 CYS 25 2HB CYS 25 -3.809 -5.101 0.410 178 HB3 CYS 25 1HB CYS 25 -2.254 -5.697 0.996 179 H CYS 26 H CYS 26 -1.833 -8.249 0.046 180 HA CYS 26 HA CYS 26 0.929 -8.053 0.197 181 HB2 CYS 26 2HB CYS 26 -1.004 -10.012 0.476 182 HB3 CYS 26 1HB CYS 26 -0.007 -10.646 -0.835 183 H ASP 27 H ASP 27 -0.895 -9.286 -2.629 184 HA ASP 27 HA ASP 27 1.532 -9.329 -4.293 185 HB2 ASP 27 2HB ASP 27 -1.259 -10.272 -4.341 186 HB3 ASP 27 1HB ASP 27 -0.656 -9.763 -5.917 187 H PHE 28 H PHE 28 -1.168 -7.174 -3.684 188 HA PHE 28 HA PHE 28 -1.275 -5.663 -6.070 189 HB2 PHE 28 2HB PHE 28 -2.825 -5.441 -4.183 190 HB3 PHE 28 1HB PHE 28 -1.521 -4.817 -3.166 191 HD1 PHE 28 1HD PHE 28 -2.236 -4.057 -6.757 192 HD2 PHE 28 2HD PHE 28 -2.171 -2.586 -2.720 193 HE1 PHE 28 1HE PHE 28 -2.676 -1.760 -7.585 194 HE2 PHE 28 2HE PHE 28 -2.610 -0.292 -3.550 195 HZ PHE 28 HZ PHE 28 -2.863 0.123 -5.981 196 H VAL 29 H VAL 29 0.508 -4.673 -3.123 197 HA VAL 29 HA VAL 29 2.045 -2.638 -4.385 198 HB VAL 29 HB VAL 29 3.394 -2.824 -2.317 199 HG11 VAL 29 1HG1 VAL 29 1.105 -1.797 -2.269 200 HG12 VAL 29 2HG1 VAL 29 1.584 -2.501 -0.724 201 HG13 VAL 29 3HG1 VAL 29 0.459 -3.363 -1.775 202 HG21 VAL 29 3HG2 VAL 29 1.884 -5.436 -2.045 203 HG22 VAL 29 1HG2 VAL 29 2.750 -4.674 -0.711 204 HG23 VAL 29 2HG2 VAL 29 3.633 -5.218 -2.138 205 H LYS 30 H LYS 30 2.843 -6.066 -3.721 206 HA LYS 30 HA LYS 30 5.507 -6.040 -4.704 207 HB2 LYS 30 2HB LYS 30 4.572 -7.851 -3.395 208 HB3 LYS 30 1HB LYS 30 3.333 -8.148 -4.613 209 HG2 LYS 30 2HG LYS 30 5.653 -8.329 -6.088 210 HG3 LYS 30 1HG LYS 30 6.130 -9.034 -4.542 211 HD2 LYS 30 2HD LYS 30 4.722 -10.819 -4.764 212 HD3 LYS 30 1HD LYS 30 3.478 -9.859 -5.568 213 HE2 LYS 30 2HE LYS 30 5.517 -9.818 -7.427 214 HE3 LYS 30 1HE LYS 30 5.649 -11.454 -6.752 215 HZ1 LYS 30 3HZ LYS 30 3.925 -11.886 -8.110 216 HZ2 LYS 30 1HZ LYS 30 3.486 -10.256 -8.264 217 HZ3 LYS 30 2HZ LYS 30 2.993 -11.141 -6.901 218 H ASP 31 H ASP 31 2.457 -5.892 -6.363 219 HA ASP 31 HA ASP 31 3.463 -6.850 -8.941 220 HB2 ASP 31 2HB ASP 31 0.961 -5.928 -7.689 221 HB3 ASP 31 1HB ASP 31 1.116 -5.462 -9.383 222 H ILE 32 H ILE 32 2.554 -3.666 -7.585 223 HA ILE 32 HA ILE 32 3.479 -2.237 -9.966 224 HB ILE 32 HB ILE 32 3.083 -0.249 -8.352 225 HG12 ILE 32 2HG1 ILE 32 1.651 -2.333 -6.707 226 HG13 ILE 32 1HG1 ILE 32 3.314 -1.873 -6.335 227 HG21 ILE 32 1HG2 ILE 32 0.529 -1.649 -8.381 228 HG22 ILE 32 2HG2 ILE 32 1.385 -1.823 -9.912 229 HG23 ILE 32 3HG2 ILE 32 1.029 -0.215 -9.279 230 HD11 ILE 32 3HD1 ILE 32 1.926 0.545 -6.743 231 HD12 ILE 32 1HD1 ILE 32 2.495 -0.106 -5.205 232 HD13 ILE 32 2HD1 ILE 32 0.858 -0.456 -5.759 233 H ARG 33 H ARG 33 5.596 -3.764 -9.191 234 HA ARG 33 HA ARG 33 7.823 -3.730 -8.358 235 HB2 ARG 33 2HB ARG 33 8.995 -1.841 -9.388 236 HB3 ARG 33 1HB ARG 33 7.735 -2.428 -10.475 237 HG2 ARG 33 2HG ARG 33 6.311 -0.600 -10.001 238 HG3 ARG 33 1HG ARG 33 7.199 -0.178 -8.537 239 HD2 ARG 33 2HD ARG 33 9.138 0.524 -9.877 240 HD3 ARG 33 1HD ARG 33 8.295 0.049 -11.365 241 HE ARG 33 HE ARG 33 6.965 1.996 -11.170 242 HH11 ARG 33 1HH2 ARG 33 8.564 1.219 -8.209 243 HH12 ARG 33 2HH2 ARG 33 8.050 2.663 -7.404 244 HH21 ARG 33 1HH1 ARG 33 6.289 3.883 -10.131 245 HH22 ARG 33 2HH1 ARG 33 6.768 4.173 -8.492 246 H MET 34 H MET 34 6.280 -3.296 -6.121 247 HA MET 34 HA MET 34 7.695 -1.026 -4.759 248 HB2 MET 34 2HB MET 34 4.880 -2.114 -4.499 249 HB3 MET 34 1HB MET 34 5.588 -1.027 -3.305 250 HG2 MET 34 2HG MET 34 6.043 -0.000 -5.967 251 HG3 MET 34 1HG MET 34 4.320 -0.304 -5.719 252 HE1 MET 34 3HE MET 34 4.991 2.156 -6.458 253 HE2 MET 34 1HE MET 34 4.947 3.484 -5.290 254 HE3 MET 34 2HE MET 34 3.519 2.486 -5.547 255 H ASN 35 H ASN 35 7.519 -1.525 -2.207 256 HA ASN 35 HA ASN 35 8.577 -4.300 -1.876 257 HB2 ASN 35 2HB ASN 35 9.817 -3.372 -0.045 258 HB3 ASN 35 1HB ASN 35 9.916 -2.193 -1.353 259 HD21 ASN 35 1HD2 ASN 35 8.550 -2.811 1.845 260 HD22 ASN 35 2HD2 ASN 35 7.948 -1.233 2.089 261 HA PRO 36 HA PRO 36 4.729 -4.933 0.348 262 HB2 PRO 36 2HB PRO 36 4.963 -7.644 0.495 263 HB3 PRO 36 1HB PRO 36 4.396 -6.808 -0.964 264 HG2 PRO 36 2HG PRO 36 7.033 -8.023 -0.384 265 HG3 PRO 36 1HG PRO 36 6.169 -7.881 -1.919 266 HD2 PRO 36 2HD PRO 36 8.287 -6.278 -1.116 267 HD3 PRO 36 1HD PRO 36 7.120 -5.876 -2.395 268 HA PRO 37 HA PRO 37 6.727 -5.295 4.288 269 HB2 PRO 37 2HB PRO 37 4.501 -4.935 5.833 270 HB3 PRO 37 1HB PRO 37 5.319 -3.601 4.996 271 HG2 PRO 37 2HG PRO 37 2.807 -5.005 4.312 272 HG3 PRO 37 1HG PRO 37 3.281 -3.326 4.020 273 HD2 PRO 37 2HD PRO 37 3.291 -5.377 2.131 274 HD3 PRO 37 1HD PRO 37 4.131 -3.817 1.979 275 H ALA 38 H ALA 38 6.939 -6.942 5.875 276 HA ALA 38 HA ALA 38 5.395 -9.430 5.317 277 HB1 ALA 38 1HB ALA 38 7.688 -9.864 5.235 278 HB2 ALA 38 2HB ALA 38 7.340 -10.245 6.921 279 HB3 ALA 38 3HB ALA 38 8.054 -8.689 6.498 280 H ASP 39 H ASP 39 4.912 -6.866 7.228 281 HA ASP 39 HA ASP 39 4.627 -8.095 9.860 282 HB2 ASP 39 2HB ASP 39 4.511 -5.511 8.590 283 HB3 ASP 39 1HB ASP 39 3.072 -5.728 9.587 284 H LYS 40 H LYS 40 2.822 -8.260 7.001 285 HA LYS 40 HA LYS 40 0.357 -9.014 8.538 286 HB2 LYS 40 2HB LYS 40 0.586 -7.753 5.785 287 HB3 LYS 40 1HB LYS 40 -0.909 -8.068 6.669 288 HG2 LYS 40 2HG LYS 40 1.309 -6.275 7.693 289 HG3 LYS 40 1HG LYS 40 -0.116 -5.686 6.841 290 HD2 LYS 40 2HD LYS 40 -1.470 -5.988 8.639 291 HD3 LYS 40 1HD LYS 40 -0.719 -7.527 9.061 292 HE2 LYS 40 2HE LYS 40 0.558 -6.527 10.644 293 HE3 LYS 40 1HE LYS 40 1.138 -5.321 9.477 294 HZ1 LYS 40 3HZ LYS 40 -0.209 -4.313 11.253 295 HZ2 LYS 40 1HZ LYS 40 -1.529 -5.272 10.788 296 HZ3 LYS 40 2HZ LYS 40 -0.912 -4.105 9.720 297 H CYS 41 H CYS 41 1.963 -9.441 5.358 298 HA CYS 41 HA CYS 41 1.478 -12.369 5.540 299 HB2 CYS 41 2HB CYS 41 0.403 -12.273 3.267 300 HB3 CYS 41 1HB CYS 41 -0.532 -11.443 4.515 301 HA PRO 42 HA PRO 42 5.538 -11.886 3.717 302 HB2 PRO 42 2HB PRO 42 6.202 -14.539 3.830 303 HB3 PRO 42 1HB PRO 42 6.282 -13.462 5.238 304 HG2 PRO 42 2HG PRO 42 4.207 -15.459 4.497 305 HG3 PRO 42 1HG PRO 42 4.848 -15.032 6.091 306 HD2 PRO 42 2HD PRO 42 2.441 -14.155 5.130 307 HD3 PRO 42 1HD PRO 42 3.402 -13.283 6.347 Start of MODEL 15 1 H1 ILE 1 H ILE 1 7.297 12.969 -10.500 2 HA ILE 1 HA ILE 1 6.275 10.414 -10.974 3 HB ILE 1 HB ILE 1 8.260 11.386 -8.899 4 HG12 ILE 1 2HG1 ILE 1 9.125 10.091 -11.421 5 HG13 ILE 1 1HG1 ILE 1 8.383 11.681 -11.605 6 HG21 ILE 1 1HG2 ILE 1 8.103 9.213 -8.213 7 HG22 ILE 1 2HG2 ILE 1 9.109 8.911 -9.629 8 HG23 ILE 1 3HG2 ILE 1 7.364 8.684 -9.723 9 HD11 ILE 1 3HD1 ILE 1 10.727 10.996 -9.807 10 HD12 ILE 1 1HD1 ILE 1 9.945 12.575 -9.880 11 HD13 ILE 1 2HD1 ILE 1 10.792 11.944 -11.293 12 HA PRO 2 HA PRO 2 3.322 10.437 -7.560 13 HB2 PRO 2 2HB PRO 2 1.714 8.504 -8.628 14 HB3 PRO 2 1HB PRO 2 1.638 10.207 -9.126 15 HG2 PRO 2 2HG PRO 2 2.856 7.887 -10.505 16 HG3 PRO 2 1HG PRO 2 2.078 9.324 -11.180 17 HD2 PRO 2 2HD PRO 2 4.817 8.898 -11.022 18 HD3 PRO 2 1HD PRO 2 4.032 10.477 -11.254 19 H TYR 3 H TYR 3 3.557 9.195 -5.728 20 HA TYR 3 HA TYR 3 4.270 6.313 -5.986 21 HB2 TYR 3 2HB TYR 3 6.164 6.634 -4.451 22 HB3 TYR 3 1HB TYR 3 6.357 7.679 -5.864 23 HD1 TYR 3 2HD TYR 3 5.289 10.086 -5.645 24 HD2 TYR 3 1HD TYR 3 6.336 7.576 -2.320 25 HE1 TYR 3 2HE TYR 3 5.360 12.075 -4.164 26 HE2 TYR 3 1HE TYR 3 6.407 9.564 -0.841 27 HH TYR 3 HH TYR 3 5.814 12.836 -2.130 28 H CYS 4 H CYS 4 2.976 5.182 -4.581 29 HA CYS 4 HA CYS 4 1.334 6.598 -2.615 30 HB2 CYS 4 2HB CYS 4 0.614 4.682 -4.076 31 HB3 CYS 4 1HB CYS 4 1.683 3.632 -3.145 32 H GLY 5 H GLY 5 3.442 7.309 -1.419 33 HA2 GLY 5 2HA GLY 5 4.280 7.108 0.828 34 HA3 GLY 5 1HA GLY 5 3.860 5.393 0.802 35 H GLN 6 H GLN 6 6.318 5.959 1.731 36 HA GLN 6 HA GLN 6 8.401 6.095 -0.266 37 HB2 GLN 6 2HB GLN 6 8.227 6.440 2.402 38 HB3 GLN 6 1HB GLN 6 8.825 4.777 2.378 39 HG2 GLN 6 2HG GLN 6 10.677 5.507 0.872 40 HG3 GLN 6 1HG GLN 6 10.111 7.171 1.033 41 HE21 GLN 6 1HE2 GLN 6 11.555 4.457 2.832 42 HE22 GLN 6 2HE2 GLN 6 12.086 5.397 4.153 43 H THR 7 H THR 7 6.675 3.435 1.327 44 HA THR 7 HA THR 7 7.978 1.542 -0.594 45 HB THR 7 HB THR 7 8.006 -0.059 1.406 46 HG1 THR 7 1HG THR 7 7.660 2.392 2.788 47 HG21 THR 7 3HG2 THR 7 9.687 2.433 1.219 48 HG22 THR 7 1HG2 THR 7 10.109 0.780 0.768 49 HG23 THR 7 2HG2 THR 7 9.995 1.229 2.470 50 H GLY 8 H GLY 8 6.689 -0.740 -0.088 51 HA2 GLY 8 2HA GLY 8 3.956 -0.196 -0.927 52 HA3 GLY 8 1HA GLY 8 4.655 -1.796 -0.650 53 H ALA 9 H ALA 9 5.550 -1.023 2.090 54 HA ALA 9 HA ALA 9 3.307 -1.945 3.588 55 HB1 ALA 9 1HB ALA 9 6.038 -1.201 3.956 56 HB2 ALA 9 2HB ALA 9 5.013 -2.119 5.059 57 HB3 ALA 9 3HB ALA 9 5.092 -0.362 5.187 58 H GLU 10 H GLU 10 4.256 1.272 2.563 59 HA GLU 10 HA GLU 10 2.557 2.697 4.462 60 HB2 GLU 10 2HB GLU 10 3.937 3.466 1.868 61 HB3 GLU 10 1HB GLU 10 3.172 4.615 2.967 62 HG2 GLU 10 2HG GLU 10 5.033 2.772 4.304 63 HG3 GLU 10 1HG GLU 10 5.808 3.819 3.111 64 H CYS 11 H CYS 11 2.191 1.360 1.223 65 HA CYS 11 HA CYS 11 -0.409 2.723 0.816 66 HB2 CYS 11 2HB CYS 11 1.557 2.149 -0.869 67 HB3 CYS 11 1HB CYS 11 0.736 0.590 -0.960 68 H TYR 12 H TYR 12 0.880 -0.379 1.803 69 HA TYR 12 HA TYR 12 -1.202 -2.168 1.284 70 HB2 TYR 12 2HB TYR 12 0.600 -3.170 2.297 71 HB3 TYR 12 1HB TYR 12 0.933 -1.769 3.313 72 HD1 TYR 12 1HD TYR 12 -1.881 -4.235 2.890 73 HD2 TYR 12 2HD TYR 12 0.728 -2.156 5.594 74 HE1 TYR 12 1HE TYR 12 -2.969 -5.367 4.808 75 HE2 TYR 12 2HE TYR 12 -0.364 -3.285 7.512 76 HH TYR 12 HH TYR 12 -2.919 -4.394 7.786 77 H SER 13 H SER 13 -0.922 -0.023 4.153 78 HA SER 13 HA SER 13 -3.210 -0.720 5.558 79 HB2 SER 13 2HB SER 13 -3.211 1.935 5.920 80 HB3 SER 13 1HB SER 13 -1.941 0.909 6.579 81 HG SER 13 HG SER 13 -0.771 2.300 5.459 82 H TRP 14 H TRP 14 -3.212 1.971 3.161 83 HA TRP 14 HA TRP 14 -6.071 2.205 3.102 84 HB2 TRP 14 2HB TRP 14 -4.613 3.999 2.390 85 HB3 TRP 14 1HB TRP 14 -3.865 2.967 1.166 86 HD1 TRP 14 HD TRP 14 -7.429 4.225 2.030 87 HE1 TRP 14 1HE TRP 14 -8.665 4.700 -0.182 88 HE3 TRP 14 3HE TRP 14 -3.837 2.802 -1.305 89 HZ2 TRP 14 2HZ TRP 14 -8.190 4.498 -2.999 90 HZ3 TRP 14 3HZ TRP 14 -4.252 2.953 -3.743 91 HH2 TRP 14 HH TRP 14 -6.422 3.798 -4.594 92 H CYS 15 H CYS 15 -3.789 0.451 1.007 93 HA CYS 15 HA CYS 15 -5.544 -0.440 -1.002 94 HB2 CYS 15 2HB CYS 15 -3.318 -0.906 -1.393 95 HB3 CYS 15 1HB CYS 15 -2.998 -1.295 0.292 96 H ILE 16 H ILE 16 -5.490 -1.296 2.353 97 HA ILE 16 HA ILE 16 -6.882 -3.873 2.002 98 HB ILE 16 HB ILE 16 -6.133 -2.122 4.365 99 HG12 ILE 16 2HG1 ILE 16 -4.351 -3.327 2.948 100 HG13 ILE 16 1HG1 ILE 16 -4.325 -3.630 4.684 101 HG21 ILE 16 1HG2 ILE 16 -7.387 -4.881 4.289 102 HG22 ILE 16 2HG2 ILE 16 -8.088 -3.418 4.984 103 HG23 ILE 16 3HG2 ILE 16 -6.671 -4.157 5.729 104 HD11 ILE 16 3HD1 ILE 16 -5.768 -5.412 2.708 105 HD12 ILE 16 1HD1 ILE 16 -5.439 -5.744 4.409 106 HD13 ILE 16 2HD1 ILE 16 -4.115 -5.702 3.246 107 H LYS 17 H LYS 17 -7.734 -0.533 2.258 108 HA LYS 17 HA LYS 17 -10.153 -0.440 3.607 109 HB2 LYS 17 2HB LYS 17 -9.306 0.758 0.955 110 HB3 LYS 17 1HB LYS 17 -10.763 1.261 1.811 111 HG2 LYS 17 2HG LYS 17 -8.211 1.194 3.360 112 HG3 LYS 17 1HG LYS 17 -8.421 2.495 2.188 113 HD2 LYS 17 2HD LYS 17 -9.675 3.581 3.711 114 HD3 LYS 17 1HD LYS 17 -10.881 2.304 3.552 115 HE2 LYS 17 2HE LYS 17 -8.951 1.154 5.201 116 HE3 LYS 17 1HE LYS 17 -9.047 2.835 5.768 117 HZ1 LYS 17 3HZ LYS 17 -11.134 0.784 5.679 118 HZ2 LYS 17 1HZ LYS 17 -11.600 2.385 5.369 119 HZ3 LYS 17 2HZ LYS 17 -10.851 1.990 6.842 120 H GLN 18 H GLN 18 -9.631 -1.661 0.292 121 HA GLN 18 HA GLN 18 -12.349 -2.206 -0.361 122 HB2 GLN 18 2HB GLN 18 -9.881 -3.808 -1.114 123 HB3 GLN 18 1HB GLN 18 -11.369 -3.659 -2.048 124 HG2 GLN 18 2HG GLN 18 -9.292 -1.523 -1.512 125 HG3 GLN 18 1HG GLN 18 -9.816 -2.164 -3.071 126 HE21 GLN 18 1HE2 GLN 18 -9.955 0.671 -1.845 127 HE22 GLN 18 2HE2 GLN 18 -11.577 1.123 -2.058 128 H ASP 19 H ASP 19 -10.068 -3.836 1.721 129 HA ASP 19 HA ASP 19 -10.302 -5.723 3.119 130 HB2 ASP 19 2HB ASP 19 -12.481 -4.084 3.328 131 HB3 ASP 19 1HB ASP 19 -13.252 -5.617 2.904 132 H LEU 20 H LEU 20 -9.970 -6.385 0.352 133 HA LEU 20 HA LEU 20 -12.025 -8.321 -0.445 134 HB2 LEU 20 2HB LEU 20 -9.180 -8.178 -1.447 135 HB3 LEU 20 1HB LEU 20 -10.622 -8.649 -2.337 136 HG LEU 20 HG LEU 20 -9.809 -5.877 -1.454 137 HD11 LEU 20 1HD1 LEU 20 -10.782 -6.022 -4.115 138 HD12 LEU 20 2HD1 LEU 20 -9.702 -7.400 -3.895 139 HD13 LEU 20 3HD1 LEU 20 -9.117 -5.764 -3.592 140 HD21 LEU 20 3HD2 LEU 20 -12.503 -7.003 -2.155 141 HD22 LEU 20 1HD2 LEU 20 -12.106 -5.360 -2.658 142 HD23 LEU 20 2HD2 LEU 20 -12.086 -5.789 -0.948 143 H SER 21 H SER 21 -8.840 -8.416 1.087 144 HA SER 21 HA SER 21 -9.216 -10.702 2.664 145 HB2 SER 21 2HB SER 21 -9.600 -12.119 0.851 146 HB3 SER 21 1HB SER 21 -8.540 -11.205 -0.217 147 HG SER 21 HG SER 21 -7.504 -12.525 2.043 148 H LYS 22 H LYS 22 -7.396 -10.859 3.980 149 HA LYS 22 HA LYS 22 -5.299 -9.000 3.918 150 HB2 LYS 22 2HB LYS 22 -5.733 -11.733 5.087 151 HB3 LYS 22 1HB LYS 22 -4.153 -10.971 5.271 152 HG2 LYS 22 2HG LYS 22 -4.935 -9.414 6.737 153 HG3 LYS 22 1HG LYS 22 -6.445 -9.200 5.849 154 HD2 LYS 22 2HD LYS 22 -6.895 -10.197 8.047 155 HD3 LYS 22 1HD LYS 22 -7.270 -11.353 6.769 156 HE2 LYS 22 2HE LYS 22 -4.566 -11.816 7.305 157 HE3 LYS 22 1HE LYS 22 -5.294 -11.567 8.904 158 HZ1 LYS 22 3HZ LYS 22 -6.191 -13.441 6.785 159 HZ2 LYS 22 1HZ LYS 22 -7.137 -13.055 8.139 160 HZ3 LYS 22 2HZ LYS 22 -5.639 -13.832 8.344 161 H ASP 23 H ASP 23 -5.694 -11.849 1.965 162 HA ASP 23 HA ASP 23 -2.826 -11.959 1.225 163 HB2 ASP 23 2HB ASP 23 -4.574 -13.894 1.582 164 HB3 ASP 23 1HB ASP 23 -5.061 -13.502 -0.068 165 H TRP 24 H TRP 24 -5.693 -10.378 0.205 166 HA TRP 24 HA TRP 24 -5.049 -10.214 -2.638 167 HB2 TRP 24 2HB TRP 24 -7.219 -9.560 -2.643 168 HB3 TRP 24 1HB TRP 24 -7.220 -9.714 -0.887 169 HD1 TRP 24 HD TRP 24 -7.313 -7.527 0.518 170 HE1 TRP 24 1HE TRP 24 -7.467 -5.021 -0.066 171 HE3 TRP 24 3HE TRP 24 -6.415 -7.740 -4.493 172 HZ2 TRP 24 2HZ TRP 24 -7.240 -3.329 -2.366 173 HZ3 TRP 24 3HZ TRP 24 -6.386 -5.674 -5.863 174 HH2 TRP 24 HH TRP 24 -6.799 -3.469 -4.805 175 H CYS 25 H CYS 25 -5.041 -7.826 0.026 176 HA CYS 25 HA CYS 25 -3.812 -5.713 -1.432 177 HB2 CYS 25 2HB CYS 25 -5.047 -5.641 0.765 178 HB3 CYS 25 1HB CYS 25 -3.611 -6.336 1.527 179 H CYS 26 H CYS 26 -2.349 -8.146 0.751 180 HA CYS 26 HA CYS 26 0.301 -7.357 0.795 181 HB2 CYS 26 2HB CYS 26 -1.061 -10.036 0.533 182 HB3 CYS 26 1HB CYS 26 0.693 -9.932 0.684 183 H ASP 27 H ASP 27 -1.455 -8.800 -1.920 184 HA ASP 27 HA ASP 27 0.975 -9.017 -3.571 185 HB2 ASP 27 2HB ASP 27 -0.799 -10.685 -3.719 186 HB3 ASP 27 1HB ASP 27 -1.987 -9.432 -4.085 187 H PHE 28 H PHE 28 -1.764 -6.823 -3.178 188 HA PHE 28 HA PHE 28 -1.481 -5.365 -5.630 189 HB2 PHE 28 2HB PHE 28 -3.489 -5.142 -4.404 190 HB3 PHE 28 1HB PHE 28 -2.632 -4.833 -2.891 191 HD1 PHE 28 2HD PHE 28 -3.693 -3.385 -6.122 192 HD2 PHE 28 1HD PHE 28 -1.737 -2.636 -2.372 193 HE1 PHE 28 2HE PHE 28 -3.813 -0.944 -6.546 194 HE2 PHE 28 1HE PHE 28 -1.857 -0.197 -2.797 195 HZ PHE 28 HZ PHE 28 -2.895 0.650 -4.884 196 H VAL 29 H VAL 29 0.151 -5.064 -2.488 197 HA VAL 29 HA VAL 29 1.311 -2.478 -2.921 198 HB VAL 29 HB VAL 29 2.619 -3.012 -1.020 199 HG11 VAL 29 1HG1 VAL 29 -0.086 -3.657 -1.069 200 HG12 VAL 29 2HG1 VAL 29 0.899 -3.435 0.377 201 HG13 VAL 29 3HG1 VAL 29 0.660 -5.051 -0.289 202 HG21 VAL 29 3HG2 VAL 29 3.715 -5.004 -2.027 203 HG22 VAL 29 1HG2 VAL 29 2.252 -5.942 -1.718 204 HG23 VAL 29 2HG2 VAL 29 3.191 -5.304 -0.368 205 H LYS 30 H LYS 30 2.457 -5.758 -3.737 206 HA LYS 30 HA LYS 30 4.952 -4.732 -4.889 207 HB2 LYS 30 2HB LYS 30 5.543 -6.963 -4.894 208 HB3 LYS 30 1HB LYS 30 4.221 -7.053 -3.734 209 HG2 LYS 30 2HG LYS 30 2.767 -7.377 -5.939 210 HG3 LYS 30 1HG LYS 30 4.306 -7.949 -6.587 211 HD2 LYS 30 2HD LYS 30 4.281 -9.242 -4.202 212 HD3 LYS 30 1HD LYS 30 2.551 -9.166 -4.538 213 HE2 LYS 30 2HE LYS 30 2.749 -10.425 -6.518 214 HE3 LYS 30 1HE LYS 30 4.480 -10.067 -6.680 215 HZ1 LYS 30 3HZ LYS 30 3.494 -12.301 -5.537 216 HZ2 LYS 30 1HZ LYS 30 3.739 -11.313 -4.181 217 HZ3 LYS 30 2HZ LYS 30 5.035 -11.660 -5.224 218 H ASP 31 H ASP 31 1.718 -5.395 -5.974 219 HA ASP 31 HA ASP 31 2.214 -5.847 -8.761 220 HB2 ASP 31 2HB ASP 31 0.065 -5.707 -6.992 221 HB3 ASP 31 1HB ASP 31 -0.220 -4.360 -8.096 222 H ILE 32 H ILE 32 2.061 -2.922 -6.803 223 HA ILE 32 HA ILE 32 2.023 -1.145 -9.154 224 HB ILE 32 HB ILE 32 2.070 0.596 -7.387 225 HG12 ILE 32 2HG1 ILE 32 2.131 -1.670 -5.389 226 HG13 ILE 32 1HG1 ILE 32 3.606 -0.852 -5.906 227 HG21 ILE 32 1HG2 ILE 32 0.062 -0.579 -6.013 228 HG22 ILE 32 2HG2 ILE 32 0.164 -1.690 -7.380 229 HG23 ILE 32 3HG2 ILE 32 -0.138 0.025 -7.657 230 HD11 ILE 32 3HD1 ILE 32 2.198 1.324 -5.341 231 HD12 ILE 32 1HD1 ILE 32 3.045 0.444 -4.069 232 HD13 ILE 32 2HD1 ILE 32 1.313 0.207 -4.301 233 H ARG 33 H ARG 33 4.347 -3.087 -8.363 234 HA ARG 33 HA ARG 33 6.681 -3.018 -8.764 235 HB2 ARG 33 2HB ARG 33 5.664 -1.071 -10.290 236 HB3 ARG 33 1HB ARG 33 6.552 -0.056 -9.152 237 HG2 ARG 33 2HG ARG 33 7.869 -2.431 -10.463 238 HG3 ARG 33 1HG ARG 33 7.804 -0.866 -11.273 239 HD2 ARG 33 2HD ARG 33 8.975 -1.361 -8.510 240 HD3 ARG 33 1HD ARG 33 9.906 -1.064 -9.992 241 HE ARG 33 HE ARG 33 8.400 0.946 -8.488 242 HH11 ARG 33 1HH2 ARG 33 9.684 -0.047 -11.539 243 HH12 ARG 33 2HH2 ARG 33 9.757 1.562 -12.174 244 HH21 ARG 33 1HH1 ARG 33 8.490 3.046 -9.313 245 HH22 ARG 33 2HH1 ARG 33 9.083 3.308 -10.919 246 H MET 34 H MET 34 6.234 -3.203 -6.179 247 HA MET 34 HA MET 34 8.083 -1.207 -4.958 248 HB2 MET 34 2HB MET 34 5.242 -1.863 -4.189 249 HB3 MET 34 1HB MET 34 6.378 -1.256 -2.984 250 HG2 MET 34 2HG MET 34 5.910 0.140 -5.625 251 HG3 MET 34 1HG MET 34 4.981 0.517 -4.171 252 HE1 MET 34 3HE MET 34 6.091 2.998 -5.028 253 HE2 MET 34 1HE MET 34 6.969 3.555 -3.597 254 HE3 MET 34 2HE MET 34 5.452 2.673 -3.419 255 H ASN 35 H ASN 35 8.337 -2.058 -2.469 256 HA ASN 35 HA ASN 35 9.145 -4.910 -2.745 257 HB2 ASN 35 2HB ASN 35 10.418 -2.667 -1.841 258 HB3 ASN 35 1HB ASN 35 9.829 -3.352 -0.325 259 HD21 ASN 35 1HD2 ASN 35 12.511 -3.389 -2.239 260 HD22 ASN 35 2HD2 ASN 35 13.082 -4.964 -1.922 261 HA PRO 36 HA PRO 36 5.596 -5.868 -0.208 262 HB2 PRO 36 2HB PRO 36 6.000 -8.565 -0.170 263 HB3 PRO 36 1HB PRO 36 5.281 -7.715 -1.554 264 HG2 PRO 36 2HG PRO 36 8.042 -8.747 -1.187 265 HG3 PRO 36 1HG PRO 36 7.049 -8.670 -2.651 266 HD2 PRO 36 2HD PRO 36 9.085 -6.917 -2.059 267 HD3 PRO 36 1HD PRO 36 7.729 -6.553 -3.147 268 HA PRO 37 HA PRO 37 8.084 -6.258 3.504 269 HB2 PRO 37 2HB PRO 37 6.252 -5.113 5.180 270 HB3 PRO 37 1HB PRO 37 7.324 -4.161 4.135 271 HG2 PRO 37 2HG PRO 37 4.449 -4.760 3.840 272 HG3 PRO 37 1HG PRO 37 5.376 -3.359 3.288 273 HD2 PRO 37 2HD PRO 37 4.530 -5.517 1.710 274 HD3 PRO 37 1HD PRO 37 5.725 -4.281 1.255 275 H ALA 38 H ALA 38 8.119 -8.191 4.610 276 HA ALA 38 HA ALA 38 5.675 -9.839 4.748 277 HB1 ALA 38 1HB ALA 38 8.336 -10.322 4.358 278 HB2 ALA 38 2HB ALA 38 7.188 -11.549 4.896 279 HB3 ALA 38 3HB ALA 38 8.180 -10.691 6.075 280 H ASP 39 H ASP 39 5.905 -7.336 6.411 281 HA ASP 39 HA ASP 39 5.811 -8.584 9.139 282 HB2 ASP 39 2HB ASP 39 7.432 -6.613 8.247 283 HB3 ASP 39 1HB ASP 39 6.052 -5.641 8.757 284 H LYS 40 H LYS 40 4.170 -6.441 6.845 285 HA LYS 40 HA LYS 40 1.885 -6.129 8.741 286 HB2 LYS 40 2HB LYS 40 2.223 -4.864 6.017 287 HB3 LYS 40 1HB LYS 40 1.302 -4.264 7.394 288 HG2 LYS 40 2HG LYS 40 4.316 -4.441 7.181 289 HG3 LYS 40 1HG LYS 40 3.347 -2.970 7.207 290 HD2 LYS 40 2HD LYS 40 2.462 -3.845 9.484 291 HD3 LYS 40 1HD LYS 40 3.865 -4.915 9.450 292 HE2 LYS 40 2HE LYS 40 4.337 -2.021 8.853 293 HE3 LYS 40 1HE LYS 40 4.033 -2.479 10.542 294 HZ1 LYS 40 3HZ LYS 40 6.117 -3.525 8.713 295 HZ2 LYS 40 1HZ LYS 40 5.667 -4.346 10.126 296 HZ3 LYS 40 2HZ LYS 40 6.328 -2.784 10.227 297 H CYS 41 H CYS 41 2.623 -8.609 7.024 298 HA CYS 41 HA CYS 41 0.017 -8.804 5.545 299 HB2 CYS 41 2HB CYS 41 2.830 -9.599 4.985 300 HB3 CYS 41 1HB CYS 41 1.578 -10.729 4.453 301 HA PRO 42 HA PRO 42 0.122 -11.928 8.988 302 HB2 PRO 42 2HB PRO 42 -2.261 -11.214 10.123 303 HB3 PRO 42 1HB PRO 42 -0.716 -10.462 10.568 304 HG2 PRO 42 2HG PRO 42 -2.882 -9.439 8.813 305 HG3 PRO 42 1HG PRO 42 -1.823 -8.566 9.930 306 HD2 PRO 42 2HD PRO 42 -1.493 -8.630 7.198 307 HD3 PRO 42 1HD PRO 42 -0.193 -8.291 8.363 Start of MODEL 16 1 H1 ILE 1 H ILE 1 10.976 9.796 -4.655 2 HA ILE 1 HA ILE 1 8.648 11.426 -5.587 3 HB ILE 1 HB ILE 1 8.763 10.182 -7.725 4 HG12 ILE 1 2HG1 ILE 1 11.460 9.206 -7.505 5 HG13 ILE 1 1HG1 ILE 1 10.488 8.513 -6.206 6 HG21 ILE 1 1HG2 ILE 1 10.101 11.819 -8.512 7 HG22 ILE 1 2HG2 ILE 1 11.513 11.111 -7.725 8 HG23 ILE 1 3HG2 ILE 1 10.475 12.228 -6.837 9 HD11 ILE 1 3HD1 ILE 1 8.917 8.479 -8.592 10 HD12 ILE 1 1HD1 ILE 1 9.525 7.106 -7.668 11 HD13 ILE 1 2HD1 ILE 1 10.497 7.792 -8.969 12 HA PRO 2 HA PRO 2 7.643 7.341 -3.498 13 HB2 PRO 2 2HB PRO 2 6.585 8.352 -1.187 14 HB3 PRO 2 1HB PRO 2 8.309 7.965 -1.373 15 HG2 PRO 2 2HG PRO 2 6.940 10.595 -1.449 16 HG3 PRO 2 1HG PRO 2 8.541 10.170 -0.827 17 HD2 PRO 2 2HD PRO 2 8.069 11.393 -3.255 18 HD3 PRO 2 1HD PRO 2 9.538 10.474 -2.851 19 H TYR 3 H TYR 3 5.230 7.224 -2.146 20 HA TYR 3 HA TYR 3 3.291 8.711 -3.870 21 HB2 TYR 3 2HB TYR 3 2.570 5.936 -3.165 22 HB3 TYR 3 1HB TYR 3 2.404 6.777 -4.706 23 HD1 TYR 3 2HD TYR 3 4.883 5.110 -2.470 24 HD2 TYR 3 1HD TYR 3 3.966 6.426 -6.453 25 HE1 TYR 3 2HE TYR 3 6.889 3.933 -3.318 26 HE2 TYR 3 1HE TYR 3 5.973 5.245 -7.306 27 HH TYR 3 HH TYR 3 7.381 3.126 -6.392 28 H CYS 4 H CYS 4 3.592 6.558 -1.075 29 HA CYS 4 HA CYS 4 1.889 8.382 0.514 30 HB2 CYS 4 2HB CYS 4 0.672 6.018 1.123 31 HB3 CYS 4 1HB CYS 4 0.067 7.139 -0.089 32 H GLY 5 H GLY 5 4.723 7.369 0.607 33 HA2 GLY 5 2HA GLY 5 5.435 7.335 3.168 34 HA3 GLY 5 1HA GLY 5 4.701 5.734 3.091 35 H GLN 6 H GLN 6 5.822 5.969 0.095 36 HA GLN 6 HA GLN 6 7.818 5.342 -1.017 37 HB2 GLN 6 2HB GLN 6 8.621 7.040 0.837 38 HB3 GLN 6 1HB GLN 6 9.280 5.587 1.597 39 HG2 GLN 6 2HG GLN 6 9.894 5.559 -1.218 40 HG3 GLN 6 1HG GLN 6 10.418 7.091 -0.516 41 HE21 GLN 6 1HE2 GLN 6 11.944 4.509 -1.350 42 HE22 GLN 6 2HE2 GLN 6 12.903 4.162 0.018 43 H THR 7 H THR 7 6.302 3.645 1.394 44 HA THR 7 HA THR 7 8.100 1.266 1.010 45 HB THR 7 HB THR 7 7.492 0.632 3.287 46 HG1 THR 7 1HG THR 7 5.697 1.357 4.051 47 HG21 THR 7 3HG2 THR 7 7.987 3.338 4.070 48 HG22 THR 7 1HG2 THR 7 8.889 3.013 2.591 49 HG23 THR 7 2HG2 THR 7 9.124 1.992 4.009 50 H GLY 8 H GLY 8 7.069 -0.553 0.212 51 HA2 GLY 8 2HA GLY 8 4.639 -0.552 -1.085 52 HA3 GLY 8 1HA GLY 8 5.299 -2.016 -0.348 53 H ALA 9 H ALA 9 5.103 -1.318 2.377 54 HA ALA 9 HA ALA 9 2.329 -1.904 2.899 55 HB1 ALA 9 1HB ALA 9 3.416 -1.040 5.273 56 HB2 ALA 9 2HB ALA 9 4.858 -1.458 4.349 57 HB3 ALA 9 3HB ALA 9 3.607 -2.669 4.626 58 H GLU 10 H GLU 10 4.045 1.055 2.433 59 HA GLU 10 HA GLU 10 2.713 2.908 4.041 60 HB2 GLU 10 2HB GLU 10 3.526 4.495 2.490 61 HB3 GLU 10 1HB GLU 10 4.634 3.135 2.337 62 HG2 GLU 10 2HG GLU 10 3.262 2.326 0.394 63 HG3 GLU 10 1HG GLU 10 2.312 3.804 0.517 64 H CYS 11 H CYS 11 1.614 1.774 0.796 65 HA CYS 11 HA CYS 11 -0.947 3.206 1.224 66 HB2 CYS 11 2HB CYS 11 0.721 2.315 -0.996 67 HB3 CYS 11 1HB CYS 11 -0.971 1.874 -1.235 68 H TYR 12 H TYR 12 0.386 -0.012 1.355 69 HA TYR 12 HA TYR 12 -1.683 -1.740 0.775 70 HB2 TYR 12 2HB TYR 12 0.415 -2.536 1.606 71 HB3 TYR 12 1HB TYR 12 0.236 -1.632 3.114 72 HD1 TYR 12 1HD TYR 12 -2.690 -3.280 1.665 73 HD2 TYR 12 2HD TYR 12 0.574 -3.721 4.425 74 HE1 TYR 12 1HE TYR 12 -3.823 -5.231 2.695 75 HE2 TYR 12 2HE TYR 12 -0.562 -5.670 5.454 76 HH TYR 12 HH TYR 12 -3.410 -7.097 4.032 77 H SER 13 H SER 13 -1.354 0.055 3.872 78 HA SER 13 HA SER 13 -3.571 -0.848 5.275 79 HB2 SER 13 2HB SER 13 -2.565 1.989 4.883 80 HB3 SER 13 1HB SER 13 -3.629 1.486 6.192 81 HG SER 13 HG SER 13 -1.029 1.402 6.167 82 H TRP 14 H TRP 14 -3.675 1.970 3.055 83 HA TRP 14 HA TRP 14 -6.533 2.153 2.980 84 HB2 TRP 14 2HB TRP 14 -5.371 4.060 2.284 85 HB3 TRP 14 1HB TRP 14 -4.185 3.122 1.373 86 HD1 TRP 14 HD TRP 14 -7.656 4.659 1.103 87 HE1 TRP 14 1HE TRP 14 -8.414 4.585 -1.361 88 HE3 TRP 14 3HE TRP 14 -3.927 1.789 -0.880 89 HZ2 TRP 14 2HZ TRP 14 -7.550 3.455 -3.847 90 HZ3 TRP 14 3HZ TRP 14 -3.920 1.228 -3.293 91 HH2 TRP 14 HH TRP 14 -5.724 2.056 -4.778 92 H CYS 15 H CYS 15 -4.180 0.503 0.873 93 HA CYS 15 HA CYS 15 -5.736 -0.402 -1.232 94 HB2 CYS 15 2HB CYS 15 -3.297 -0.818 -0.713 95 HB3 CYS 15 1HB CYS 15 -3.817 -2.095 0.389 96 H ILE 16 H ILE 16 -5.708 -1.655 2.088 97 HA ILE 16 HA ILE 16 -7.349 -3.959 1.690 98 HB ILE 16 HB ILE 16 -7.196 -2.109 4.086 99 HG12 ILE 16 2HG1 ILE 16 -5.269 -4.072 2.887 100 HG13 ILE 16 1HG1 ILE 16 -4.942 -2.526 3.666 101 HG21 ILE 16 1HG2 ILE 16 -8.870 -4.132 3.853 102 HG22 ILE 16 2HG2 ILE 16 -7.956 -3.921 5.347 103 HG23 ILE 16 3HG2 ILE 16 -7.428 -5.103 4.150 104 HD11 ILE 16 3HD1 ILE 16 -5.851 -5.045 5.082 105 HD12 ILE 16 1HD1 ILE 16 -5.497 -3.501 5.858 106 HD13 ILE 16 2HD1 ILE 16 -4.204 -4.413 5.079 107 H LYS 17 H LYS 17 -8.112 -0.599 1.537 108 HA LYS 17 HA LYS 17 -10.697 -0.311 2.474 109 HB2 LYS 17 2HB LYS 17 -9.117 0.679 0.160 110 HB3 LYS 17 1HB LYS 17 -10.857 0.954 0.077 111 HG2 LYS 17 2HG LYS 17 -9.385 1.584 2.616 112 HG3 LYS 17 1HG LYS 17 -9.324 2.725 1.270 113 HD2 LYS 17 2HD LYS 17 -11.384 3.471 1.778 114 HD3 LYS 17 1HD LYS 17 -12.033 1.839 1.606 115 HE2 LYS 17 2HE LYS 17 -12.463 2.698 3.884 116 HE3 LYS 17 1HE LYS 17 -11.320 1.343 3.952 117 HZ1 LYS 17 3HZ LYS 17 -10.471 4.175 3.709 118 HZ2 LYS 17 1HZ LYS 17 -9.493 2.830 4.039 119 HZ3 LYS 17 2HZ LYS 17 -10.605 3.377 5.202 120 H GLN 18 H GLN 18 -9.740 -1.879 -0.597 121 HA GLN 18 HA GLN 18 -12.215 -2.422 -1.745 122 HB2 GLN 18 2HB GLN 18 -9.944 -4.410 -1.421 123 HB3 GLN 18 1HB GLN 18 -11.093 -4.324 -2.754 124 HG2 GLN 18 2HG GLN 18 -8.819 -2.452 -2.105 125 HG3 GLN 18 1HG GLN 18 -9.187 -3.260 -3.629 126 HE21 GLN 18 1HE2 GLN 18 -9.126 -0.242 -2.442 127 HE22 GLN 18 2HE2 GLN 18 -10.456 0.445 -3.241 128 H ASP 19 H ASP 19 -10.816 -3.772 1.167 129 HA ASP 19 HA ASP 19 -11.856 -4.965 2.909 130 HB2 ASP 19 2HB ASP 19 -14.024 -4.362 3.091 131 HB3 ASP 19 1HB ASP 19 -13.874 -3.637 1.492 132 H LEU 20 H LEU 20 -10.700 -6.279 0.319 133 HA LEU 20 HA LEU 20 -12.267 -8.752 0.094 134 HB2 LEU 20 2HB LEU 20 -9.401 -8.605 -0.729 135 HB3 LEU 20 1HB LEU 20 -10.768 -9.300 -1.586 136 HG LEU 20 HG LEU 20 -9.963 -6.396 -1.395 137 HD11 LEU 20 1HD1 LEU 20 -9.580 -6.572 -3.652 138 HD12 LEU 20 2HD1 LEU 20 -10.867 -7.754 -3.885 139 HD13 LEU 20 3HD1 LEU 20 -9.315 -8.261 -3.218 140 HD21 LEU 20 3HD2 LEU 20 -12.100 -5.700 -1.657 141 HD22 LEU 20 1HD2 LEU 20 -12.624 -7.330 -1.249 142 HD23 LEU 20 2HD2 LEU 20 -12.381 -6.879 -2.934 143 H SER 21 H SER 21 -8.995 -8.011 1.366 144 HA SER 21 HA SER 21 -9.303 -9.531 3.776 145 HB2 SER 21 2HB SER 21 -9.515 -11.395 2.204 146 HB3 SER 21 1HB SER 21 -8.022 -10.919 1.401 147 HG SER 21 HG SER 21 -7.339 -12.400 2.808 148 H LYS 22 H LYS 22 -6.978 -10.132 4.647 149 HA LYS 22 HA LYS 22 -5.306 -7.743 4.375 150 HB2 LYS 22 2HB LYS 22 -5.424 -8.570 6.554 151 HB3 LYS 22 1HB LYS 22 -5.436 -10.249 6.021 152 HG2 LYS 22 2HG LYS 22 -3.094 -10.255 5.631 153 HG3 LYS 22 1HG LYS 22 -2.999 -8.496 5.690 154 HD2 LYS 22 2HD LYS 22 -4.062 -9.023 8.143 155 HD3 LYS 22 1HD LYS 22 -3.063 -10.457 7.905 156 HE2 LYS 22 2HE LYS 22 -1.372 -8.448 7.055 157 HE3 LYS 22 1HE LYS 22 -2.234 -7.675 8.399 158 HZ1 LYS 22 3HZ LYS 22 -1.841 -9.732 9.699 159 HZ2 LYS 22 1HZ LYS 22 -0.413 -8.908 9.306 160 HZ3 LYS 22 2HZ LYS 22 -0.851 -10.304 8.443 161 H ASP 23 H ASP 23 -5.305 -11.021 3.151 162 HA ASP 23 HA ASP 23 -2.529 -10.800 2.139 163 HB2 ASP 23 2HB ASP 23 -3.038 -13.130 1.372 164 HB3 ASP 23 1HB ASP 23 -3.353 -12.909 3.093 165 H TRP 24 H TRP 24 -5.686 -9.987 1.192 166 HA TRP 24 HA TRP 24 -5.594 -10.482 -1.635 167 HB2 TRP 24 2HB TRP 24 -7.740 -9.921 -1.135 168 HB3 TRP 24 1HB TRP 24 -7.246 -9.187 0.391 169 HD1 TRP 24 HD TRP 24 -7.817 -6.718 0.520 170 HE1 TRP 24 1HE TRP 24 -8.025 -4.770 -1.159 171 HE3 TRP 24 3HE TRP 24 -6.643 -9.156 -3.795 172 HZ2 TRP 24 2HZ TRP 24 -7.723 -4.315 -3.972 173 HZ3 TRP 24 3HZ TRP 24 -6.607 -7.951 -5.962 174 HH2 TRP 24 HH TRP 24 -7.148 -5.533 -6.054 175 H CYS 25 H CYS 25 -4.959 -7.518 0.285 176 HA CYS 25 HA CYS 25 -3.917 -6.132 -2.090 177 HB2 CYS 25 2HB CYS 25 -4.707 -5.535 0.689 178 HB3 CYS 25 1HB CYS 25 -3.364 -4.559 0.087 179 H CYS 26 H CYS 26 -2.613 -7.973 0.581 180 HA CYS 26 HA CYS 26 -0.018 -7.029 0.898 181 HB2 CYS 26 2HB CYS 26 -1.338 -9.711 0.796 182 HB3 CYS 26 1HB CYS 26 0.425 -9.678 0.843 183 H ASP 27 H ASP 27 -1.354 -8.845 -1.844 184 HA ASP 27 HA ASP 27 1.235 -8.900 -3.259 185 HB2 ASP 27 2HB ASP 27 -1.596 -9.814 -3.824 186 HB3 ASP 27 1HB ASP 27 -0.306 -9.964 -5.018 187 H PHE 28 H PHE 28 -1.841 -7.113 -3.393 188 HA PHE 28 HA PHE 28 -1.692 -5.833 -5.865 189 HB2 PHE 28 2HB PHE 28 -3.552 -5.387 -4.479 190 HB3 PHE 28 1HB PHE 28 -2.534 -4.967 -3.099 191 HD1 PHE 28 2HD PHE 28 -1.412 -2.788 -2.972 192 HD2 PHE 28 1HD PHE 28 -3.989 -3.779 -6.260 193 HE1 PHE 28 2HE PHE 28 -1.486 -0.404 -3.625 194 HE2 PHE 28 1HE PHE 28 -4.066 -1.389 -6.918 195 HZ PHE 28 HZ PHE 28 -2.815 0.302 -5.600 196 H VAL 29 H VAL 29 -0.383 -4.370 -2.860 197 HA VAL 29 HA VAL 29 1.105 -2.308 -4.024 198 HB VAL 29 HB VAL 29 1.031 -2.270 -1.694 199 HG11 VAL 29 1HG1 VAL 29 1.316 -5.205 -1.968 200 HG12 VAL 29 2HG1 VAL 29 0.298 -4.264 -0.878 201 HG13 VAL 29 3HG1 VAL 29 2.006 -4.499 -0.506 202 HG21 VAL 29 3HG2 VAL 29 3.398 -1.958 -2.547 203 HG22 VAL 29 1HG2 VAL 29 3.707 -3.633 -2.088 204 HG23 VAL 29 2HG2 VAL 29 3.279 -2.447 -0.857 205 H LYS 30 H LYS 30 2.075 -5.717 -3.592 206 HA LYS 30 HA LYS 30 4.755 -5.475 -4.534 207 HB2 LYS 30 2HB LYS 30 3.832 -7.429 -3.363 208 HB3 LYS 30 1HB LYS 30 2.736 -7.739 -4.709 209 HG2 LYS 30 2HG LYS 30 4.798 -9.170 -4.753 210 HG3 LYS 30 1HG LYS 30 4.601 -8.177 -6.199 211 HD2 LYS 30 2HD LYS 30 6.365 -6.798 -5.664 212 HD3 LYS 30 1HD LYS 30 6.124 -6.993 -3.928 213 HE2 LYS 30 2HE LYS 30 6.878 -9.494 -5.297 214 HE3 LYS 30 1HE LYS 30 8.126 -8.233 -5.354 215 HZ1 LYS 30 3HZ LYS 30 6.639 -8.941 -2.886 216 HZ2 LYS 30 1HZ LYS 30 8.011 -7.954 -3.017 217 HZ3 LYS 30 2HZ LYS 30 8.141 -9.626 -3.289 218 H ASP 31 H ASP 31 1.682 -5.480 -6.214 219 HA ASP 31 HA ASP 31 2.764 -6.153 -8.840 220 HB2 ASP 31 2HB ASP 31 0.169 -4.960 -7.826 221 HB3 ASP 31 1HB ASP 31 0.451 -5.356 -9.520 222 H ILE 32 H ILE 32 2.294 -3.179 -7.004 223 HA ILE 32 HA ILE 32 2.707 -1.476 -9.382 224 HB ILE 32 HB ILE 32 2.548 0.331 -7.610 225 HG12 ILE 32 2HG1 ILE 32 1.788 -1.925 -5.751 226 HG13 ILE 32 1HG1 ILE 32 3.434 -1.291 -5.807 227 HG21 ILE 32 1HG2 ILE 32 0.500 -1.698 -8.289 228 HG22 ILE 32 2HG2 ILE 32 0.447 0.057 -8.458 229 HG23 ILE 32 3HG2 ILE 32 0.122 -0.687 -6.892 230 HD11 ILE 32 3HD1 ILE 32 1.494 -0.270 -4.204 231 HD12 ILE 32 1HD1 ILE 32 1.284 0.741 -5.632 232 HD13 ILE 32 2HD1 ILE 32 2.846 0.681 -4.816 233 H ARG 33 H ARG 33 4.866 -3.320 -8.670 234 HA ARG 33 HA ARG 33 7.203 -3.317 -8.339 235 HB2 ARG 33 2HB ARG 33 6.603 -0.540 -9.401 236 HB3 ARG 33 1HB ARG 33 8.231 -1.218 -9.303 237 HG2 ARG 33 2HG ARG 33 7.854 -2.733 -10.994 238 HG3 ARG 33 1HG ARG 33 6.141 -2.895 -10.608 239 HD2 ARG 33 2HD ARG 33 5.837 -1.605 -12.467 240 HD3 ARG 33 1HD ARG 33 6.296 -0.257 -11.408 241 HE ARG 33 HE ARG 33 8.740 -1.135 -12.138 242 HH11 ARG 33 1HH2 ARG 33 5.857 -0.641 -13.991 243 HH12 ARG 33 2HH2 ARG 33 6.710 -0.331 -15.463 244 HH21 ARG 33 1HH1 ARG 33 9.849 -0.720 -14.053 245 HH22 ARG 33 2HH1 ARG 33 8.961 -0.371 -15.498 246 H MET 34 H MET 34 6.104 -3.116 -5.905 247 HA MET 34 HA MET 34 7.692 -0.956 -4.558 248 HB2 MET 34 2HB MET 34 4.828 -1.616 -4.523 249 HB3 MET 34 1HB MET 34 5.530 -1.499 -2.907 250 HG2 MET 34 2HG MET 34 6.038 0.614 -5.004 251 HG3 MET 34 1HG MET 34 4.618 0.677 -3.956 252 HE1 MET 34 3HE MET 34 8.540 2.365 -3.296 253 HE2 MET 34 1HE MET 34 7.738 1.716 -4.732 254 HE3 MET 34 2HE MET 34 8.776 0.681 -3.756 255 H ASN 35 H ASN 35 8.334 -1.589 -2.319 256 HA ASN 35 HA ASN 35 8.792 -4.532 -2.140 257 HB2 ASN 35 2HB ASN 35 10.531 -2.520 -2.056 258 HB3 ASN 35 1HB ASN 35 10.064 -2.491 -0.354 259 HD21 ASN 35 1HD2 ASN 35 9.574 -5.388 -0.152 260 HD22 ASN 35 2HD2 ASN 35 11.101 -6.146 -0.221 261 HA PRO 36 HA PRO 36 5.665 -4.175 1.096 262 HB2 PRO 36 2HB PRO 36 4.988 -6.819 1.065 263 HB3 PRO 36 1HB PRO 36 4.345 -5.647 -0.103 264 HG2 PRO 36 2HG PRO 36 6.460 -7.692 -0.447 265 HG3 PRO 36 1HG PRO 36 5.284 -7.074 -1.613 266 HD2 PRO 36 2HD PRO 36 7.956 -6.339 -1.488 267 HD3 PRO 36 1HD PRO 36 6.674 -5.415 -2.299 268 HA PRO 37 HA PRO 37 8.121 -5.700 4.412 269 HB2 PRO 37 2HB PRO 37 6.218 -5.999 6.352 270 HB3 PRO 37 1HB PRO 37 6.797 -4.414 5.806 271 HG2 PRO 37 2HG PRO 37 4.279 -5.834 5.155 272 HG3 PRO 37 1HG PRO 37 4.587 -4.102 5.339 273 HD2 PRO 37 2HD PRO 37 4.338 -5.424 2.921 274 HD3 PRO 37 1HD PRO 37 5.135 -3.850 3.149 275 H ALA 38 H ALA 38 8.895 -7.738 4.900 276 HA ALA 38 HA ALA 38 7.342 -10.099 4.093 277 HB1 ALA 38 1HB ALA 38 9.673 -10.945 5.321 278 HB2 ALA 38 2HB ALA 38 10.104 -9.333 4.750 279 HB3 ALA 38 3HB ALA 38 9.521 -10.544 3.609 280 H ASP 39 H ASP 39 7.385 -8.228 6.852 281 HA ASP 39 HA ASP 39 6.983 -10.550 8.696 282 HB2 ASP 39 2HB ASP 39 8.578 -8.410 8.950 283 HB3 ASP 39 1HB ASP 39 7.098 -7.701 9.596 284 H LYS 40 H LYS 40 5.261 -8.256 6.874 285 HA LYS 40 HA LYS 40 2.905 -8.388 8.723 286 HB2 LYS 40 2HB LYS 40 4.189 -6.239 7.658 287 HB3 LYS 40 1HB LYS 40 2.968 -6.523 6.416 288 HG2 LYS 40 2HG LYS 40 1.335 -5.713 7.733 289 HG3 LYS 40 1HG LYS 40 1.815 -6.763 9.067 290 HD2 LYS 40 2HD LYS 40 3.806 -4.734 8.796 291 HD3 LYS 40 1HD LYS 40 2.228 -3.946 8.805 292 HE2 LYS 40 2HE LYS 40 1.783 -4.566 10.976 293 HE3 LYS 40 1HE LYS 40 2.636 -6.114 10.813 294 HZ1 LYS 40 3HZ LYS 40 3.922 -3.435 10.912 295 HZ2 LYS 40 1HZ LYS 40 4.732 -4.916 10.746 296 HZ3 LYS 40 2HZ LYS 40 3.900 -4.562 12.184 297 H CYS 41 H CYS 41 3.978 -8.840 5.366 298 HA CYS 41 HA CYS 41 1.313 -10.056 4.726 299 HB2 CYS 41 2HB CYS 41 3.439 -8.586 3.186 300 HB3 CYS 41 1HB CYS 41 2.343 -9.676 2.329 301 HA PRO 42 HA PRO 42 4.522 -13.449 4.839 302 HB2 PRO 42 2HB PRO 42 3.094 -15.133 6.459 303 HB3 PRO 42 1HB PRO 42 4.206 -13.899 7.088 304 HG2 PRO 42 2HG PRO 42 1.236 -13.830 6.861 305 HG3 PRO 42 1HG PRO 42 2.283 -13.234 8.159 306 HD2 PRO 42 2HD PRO 42 1.161 -11.609 6.288 307 HD3 PRO 42 1HD PRO 42 2.710 -11.254 7.087 Start of MODEL 17 1 H1 ILE 1 H ILE 1 0.120 10.162 -10.460 2 HA ILE 1 HA ILE 1 -1.093 10.944 -8.559 3 HB ILE 1 HB ILE 1 -2.523 10.097 -10.585 4 HG12 ILE 1 2HG1 ILE 1 -3.394 11.817 -9.196 5 HG13 ILE 1 1HG1 ILE 1 -4.639 10.569 -9.211 6 HG21 ILE 1 1HG2 ILE 1 -2.446 7.738 -9.103 7 HG22 ILE 1 2HG2 ILE 1 -3.533 8.092 -10.442 8 HG23 ILE 1 3HG2 ILE 1 -4.050 8.393 -8.783 9 HD11 ILE 1 3HD1 ILE 1 -3.858 9.715 -7.059 10 HD12 ILE 1 1HD1 ILE 1 -4.202 11.438 -6.921 11 HD13 ILE 1 2HD1 ILE 1 -2.534 10.882 -7.051 12 HA PRO 2 HA PRO 2 -0.212 7.084 -5.980 13 HB2 PRO 2 2HB PRO 2 1.940 8.094 -4.609 14 HB3 PRO 2 1HB PRO 2 2.100 7.180 -6.125 15 HG2 PRO 2 2HG PRO 2 2.151 10.131 -5.681 16 HG3 PRO 2 1HG PRO 2 3.160 9.134 -6.742 17 HD2 PRO 2 2HD PRO 2 1.078 10.593 -7.666 18 HD3 PRO 2 1HD PRO 2 1.566 9.046 -8.400 19 H TYR 3 H TYR 3 -2.197 7.726 -4.926 20 HA TYR 3 HA TYR 3 -2.131 10.033 -3.080 21 HB2 TYR 3 2HB TYR 3 -4.057 9.701 -4.518 22 HB3 TYR 3 1HB TYR 3 -4.248 8.042 -3.940 23 HD1 TYR 3 1HD TYR 3 -4.652 7.702 -1.414 24 HD2 TYR 3 2HD TYR 3 -5.126 11.477 -3.405 25 HE1 TYR 3 1HE TYR 3 -6.052 8.517 0.462 26 HE2 TYR 3 2HE TYR 3 -6.528 12.292 -1.530 27 HH TYR 3 HH TYR 3 -7.418 10.153 1.163 28 H CYS 4 H CYS 4 -1.664 6.620 -2.941 29 HA CYS 4 HA CYS 4 -2.452 6.384 -0.111 30 HB2 CYS 4 2HB CYS 4 -2.109 4.079 -0.470 31 HB3 CYS 4 1HB CYS 4 -2.620 4.654 -2.053 32 H GLY 5 H GLY 5 -0.427 8.358 -0.579 33 HA2 GLY 5 2HA GLY 5 1.468 8.978 0.732 34 HA3 GLY 5 1HA GLY 5 1.684 7.280 1.170 35 H GLN 6 H GLN 6 3.894 7.185 0.589 36 HA GLN 6 HA GLN 6 4.377 7.140 -2.352 37 HB2 GLN 6 2HB GLN 6 6.302 8.568 -2.126 38 HB3 GLN 6 1HB GLN 6 4.979 9.371 -1.276 39 HG2 GLN 6 2HG GLN 6 6.686 7.509 0.319 40 HG3 GLN 6 1HG GLN 6 7.396 9.047 -0.159 41 HE21 GLN 6 1HE2 GLN 6 7.100 8.916 2.496 42 HE22 GLN 6 2HE2 GLN 6 5.723 9.762 3.041 43 H THR 7 H THR 7 4.298 5.337 0.264 44 HA THR 7 HA THR 7 6.800 3.835 -0.432 45 HB THR 7 HB THR 7 7.112 3.434 1.937 46 HG1 THR 7 1HG THR 7 4.479 4.068 1.993 47 HG21 THR 7 3HG2 THR 7 7.810 5.550 2.523 48 HG22 THR 7 1HG2 THR 7 6.308 6.307 1.995 49 HG23 THR 7 2HG2 THR 7 7.514 5.816 0.805 50 H GLY 8 H GLY 8 6.345 1.749 -1.024 51 HA2 GLY 8 2HA GLY 8 3.737 0.689 -1.209 52 HA3 GLY 8 1HA GLY 8 5.206 -0.295 -1.212 53 H ALA 9 H ALA 9 5.801 0.999 1.538 54 HA ALA 9 HA ALA 9 4.691 -1.158 3.124 55 HB1 ALA 9 1HB ALA 9 5.941 -0.062 4.914 56 HB2 ALA 9 2HB ALA 9 6.062 1.416 3.958 57 HB3 ALA 9 3HB ALA 9 6.910 -0.041 3.441 58 H GLU 10 H GLU 10 4.102 2.375 3.023 59 HA GLU 10 HA GLU 10 1.969 2.220 5.001 60 HB2 GLU 10 2HB GLU 10 2.322 4.462 5.009 61 HB3 GLU 10 1HB GLU 10 3.652 4.142 3.905 62 HG2 GLU 10 2HG GLU 10 2.337 4.670 1.996 63 HG3 GLU 10 1HG GLU 10 0.828 4.583 2.910 64 H CYS 11 H CYS 11 2.151 2.210 1.462 65 HA CYS 11 HA CYS 11 -0.586 2.683 0.836 66 HB2 CYS 11 2HB CYS 11 1.622 2.355 -0.584 67 HB3 CYS 11 1HB CYS 11 1.107 0.670 -0.627 68 H TYR 12 H TYR 12 1.123 -0.262 1.806 69 HA TYR 12 HA TYR 12 -0.720 -2.283 1.328 70 HB2 TYR 12 2HB TYR 12 1.264 -2.946 2.294 71 HB3 TYR 12 1HB TYR 12 1.287 -1.611 3.434 72 HD1 TYR 12 2HD TYR 12 -0.958 -4.523 2.637 73 HD2 TYR 12 1HD TYR 12 1.020 -2.203 5.664 74 HE1 TYR 12 2HE TYR 12 -1.901 -6.003 4.387 75 HE2 TYR 12 1HE TYR 12 0.075 -3.683 7.414 76 HH TYR 12 HH TYR 12 -1.881 -5.210 7.671 77 H SER 13 H SER 13 -0.876 0.260 3.735 78 HA SER 13 HA SER 13 -2.999 -0.847 5.341 79 HB2 SER 13 2HB SER 13 -2.936 1.287 6.387 80 HB3 SER 13 1HB SER 13 -1.294 1.033 5.802 81 HG SER 13 HG SER 13 -1.552 2.614 4.435 82 H TRP 14 H TRP 14 -2.997 0.998 2.328 83 HA TRP 14 HA TRP 14 -5.827 1.730 2.503 84 HB2 TRP 14 2HB TRP 14 -4.166 3.069 1.292 85 HB3 TRP 14 1HB TRP 14 -3.818 1.701 0.228 86 HD1 TRP 14 HD TRP 14 -6.943 3.731 1.304 87 HE1 TRP 14 1HE TRP 14 -8.462 4.012 -0.758 88 HE3 TRP 14 3HE TRP 14 -4.239 1.108 -2.148 89 HZ2 TRP 14 2HZ TRP 14 -8.521 3.232 -3.512 90 HZ3 TRP 14 3HZ TRP 14 -5.051 0.893 -4.480 91 HH2 TRP 14 HH TRP 14 -7.185 1.950 -5.166 92 H CYS 15 H CYS 15 -4.068 -0.387 0.196 93 HA CYS 15 HA CYS 15 -6.159 -1.625 -1.114 94 HB2 CYS 15 2HB CYS 15 -4.594 -3.705 -0.977 95 HB3 CYS 15 1HB CYS 15 -3.944 -2.229 -1.691 96 H ILE 16 H ILE 16 -5.217 -2.107 2.243 97 HA ILE 16 HA ILE 16 -6.873 -4.484 2.640 98 HB ILE 16 HB ILE 16 -5.613 -2.526 4.585 99 HG12 ILE 16 2HG1 ILE 16 -4.092 -3.631 2.845 100 HG13 ILE 16 1HG1 ILE 16 -3.661 -3.898 4.532 101 HG21 ILE 16 1HG2 ILE 16 -7.066 -5.093 4.851 102 HG22 ILE 16 2HG2 ILE 16 -6.862 -3.785 6.018 103 HG23 ILE 16 3HG2 ILE 16 -5.574 -4.966 5.782 104 HD11 ILE 16 3HD1 ILE 16 -5.110 -5.807 2.680 105 HD12 ILE 16 1HD1 ILE 16 -4.976 -6.064 4.420 106 HD13 ILE 16 2HD1 ILE 16 -3.525 -6.028 3.418 107 H LYS 17 H LYS 17 -7.343 -1.027 2.792 108 HA LYS 17 HA LYS 17 -9.676 -1.030 4.513 109 HB2 LYS 17 2HB LYS 17 -8.637 0.897 2.409 110 HB3 LYS 17 1HB LYS 17 -9.897 1.280 3.582 111 HG2 LYS 17 2HG LYS 17 -7.528 0.128 4.844 112 HG3 LYS 17 1HG LYS 17 -7.163 1.615 3.967 113 HD2 LYS 17 2HD LYS 17 -7.998 2.759 5.717 114 HD3 LYS 17 1HD LYS 17 -9.588 2.124 5.291 115 HE2 LYS 17 2HE LYS 17 -9.011 0.053 6.656 116 HE3 LYS 17 1HE LYS 17 -7.598 0.946 7.253 117 HZ1 LYS 17 3HZ LYS 17 -10.405 1.919 7.361 118 HZ2 LYS 17 1HZ LYS 17 -9.043 2.733 7.958 119 HZ3 LYS 17 2HZ LYS 17 -9.547 1.279 8.680 120 H GLN 18 H GLN 18 -9.136 -1.492 1.060 121 HA GLN 18 HA GLN 18 -11.681 -0.992 -0.015 122 HB2 GLN 18 2HB GLN 18 -9.679 -3.205 -0.576 123 HB3 GLN 18 1HB GLN 18 -11.001 -2.765 -1.660 124 HG2 GLN 18 2HG GLN 18 -8.976 -0.734 -0.700 125 HG3 GLN 18 1HG GLN 18 -8.714 -1.702 -2.155 126 HE21 GLN 18 1HE2 GLN 18 -10.387 1.062 -0.876 127 HE22 GLN 18 2HE2 GLN 18 -11.270 1.439 -2.275 128 H ASP 19 H ASP 19 -10.682 -3.462 2.209 129 HA ASP 19 HA ASP 19 -12.024 -4.952 3.474 130 HB2 ASP 19 2HB ASP 19 -13.752 -3.021 2.509 131 HB3 ASP 19 1HB ASP 19 -14.482 -4.525 1.935 132 H LEU 20 H LEU 20 -10.568 -5.867 1.153 133 HA LEU 20 HA LEU 20 -12.441 -7.824 -0.113 134 HB2 LEU 20 2HB LEU 20 -9.554 -7.692 -0.832 135 HB3 LEU 20 1HB LEU 20 -10.956 -7.843 -1.884 136 HG LEU 20 HG LEU 20 -9.891 -5.337 -0.572 137 HD11 LEU 20 1HD1 LEU 20 -10.134 -4.670 -3.110 138 HD12 LEU 20 2HD1 LEU 20 -10.091 -6.415 -3.363 139 HD13 LEU 20 3HD1 LEU 20 -8.737 -5.605 -2.576 140 HD21 LEU 20 3HD2 LEU 20 -12.147 -4.874 -0.389 141 HD22 LEU 20 1HD2 LEU 20 -12.588 -5.998 -1.671 142 HD23 LEU 20 2HD2 LEU 20 -11.915 -4.418 -2.075 143 H SER 21 H SER 21 -9.148 -7.792 1.274 144 HA SER 21 HA SER 21 -9.460 -9.818 3.201 145 HB2 SER 21 2HB SER 21 -9.379 -10.710 0.386 146 HB3 SER 21 1HB SER 21 -8.260 -11.564 1.444 147 HG SER 21 HG SER 21 -10.952 -11.740 1.271 148 H LYS 22 H LYS 22 -7.454 -10.128 4.256 149 HA LYS 22 HA LYS 22 -5.333 -8.348 3.918 150 HB2 LYS 22 2HB LYS 22 -5.908 -10.839 5.298 151 HB3 LYS 22 1HB LYS 22 -4.209 -10.761 4.831 152 HG2 LYS 22 2HG LYS 22 -3.826 -9.352 6.542 153 HG3 LYS 22 1HG LYS 22 -4.921 -8.185 5.799 154 HD2 LYS 22 2HD LYS 22 -6.840 -9.391 6.882 155 HD3 LYS 22 1HD LYS 22 -5.667 -10.394 7.735 156 HE2 LYS 22 2HE LYS 22 -4.717 -7.857 8.250 157 HE3 LYS 22 1HE LYS 22 -6.475 -7.616 8.274 158 HZ1 LYS 22 3HZ LYS 22 -6.356 -9.908 9.542 159 HZ2 LYS 22 1HZ LYS 22 -6.196 -8.434 10.365 160 HZ3 LYS 22 2HZ LYS 22 -4.812 -9.335 9.963 161 H ASP 23 H ASP 23 -5.628 -11.617 2.499 162 HA ASP 23 HA ASP 23 -3.103 -11.577 1.124 163 HB2 ASP 23 2HB ASP 23 -4.206 -13.459 -0.142 164 HB3 ASP 23 1HB ASP 23 -4.328 -13.622 1.610 165 H TRP 24 H TRP 24 -6.194 -10.125 0.444 166 HA TRP 24 HA TRP 24 -6.051 -9.902 -2.401 167 HB2 TRP 24 2HB TRP 24 -7.758 -9.197 -0.340 168 HB3 TRP 24 1HB TRP 24 -7.213 -7.628 -0.943 169 HD1 TRP 24 HD TRP 24 -9.737 -10.171 -1.568 170 HE1 TRP 24 1HE TRP 24 -10.790 -9.904 -3.906 171 HE3 TRP 24 3HE TRP 24 -6.402 -6.930 -3.664 172 HZ2 TRP 24 2HZ TRP 24 -10.285 -8.495 -6.344 173 HZ3 TRP 24 3HZ TRP 24 -6.712 -6.137 -5.993 174 HH2 TRP 24 HH TRP 24 -8.649 -6.912 -7.332 175 H CYS 25 H CYS 25 -4.678 -7.900 0.208 176 HA CYS 25 HA CYS 25 -3.615 -5.963 -1.755 177 HB2 CYS 25 2HB CYS 25 -4.489 -5.069 0.289 178 HB3 CYS 25 1HB CYS 25 -3.575 -6.229 1.259 179 H CYS 26 H CYS 26 -2.478 -8.645 0.239 180 HA CYS 26 HA CYS 26 0.251 -8.273 0.429 181 HB2 CYS 26 2HB CYS 26 -1.018 -10.266 1.161 182 HB3 CYS 26 1HB CYS 26 -1.218 -10.755 -0.521 183 H ASP 27 H ASP 27 -1.459 -9.469 -2.480 184 HA ASP 27 HA ASP 27 1.011 -9.353 -4.081 185 HB2 ASP 27 2HB ASP 27 -1.849 -10.207 -4.419 186 HB3 ASP 27 1HB ASP 27 -0.856 -9.957 -5.855 187 H PHE 28 H PHE 28 -1.788 -7.324 -3.461 188 HA PHE 28 HA PHE 28 -1.914 -5.764 -5.812 189 HB2 PHE 28 2HB PHE 28 -3.574 -5.489 -4.150 190 HB3 PHE 28 1HB PHE 28 -2.374 -5.246 -2.878 191 HD1 PHE 28 2HD PHE 28 -1.234 -3.115 -2.599 192 HD2 PHE 28 1HD PHE 28 -4.158 -3.670 -5.695 193 HE1 PHE 28 2HE PHE 28 -1.347 -0.662 -2.927 194 HE2 PHE 28 1HE PHE 28 -4.274 -1.214 -6.023 195 HZ PHE 28 HZ PHE 28 -2.871 0.291 -4.639 196 H VAL 29 H VAL 29 -0.228 -4.699 -2.820 197 HA VAL 29 HA VAL 29 1.269 -2.649 -4.173 198 HB VAL 29 HB VAL 29 0.750 -2.640 -1.769 199 HG11 VAL 29 1HG1 VAL 29 2.754 -4.887 -1.468 200 HG12 VAL 29 2HG1 VAL 29 1.016 -5.169 -1.541 201 HG13 VAL 29 3HG1 VAL 29 1.698 -4.205 -0.230 202 HG21 VAL 29 3HG2 VAL 29 3.729 -2.946 -1.846 203 HG22 VAL 29 1HG2 VAL 29 2.755 -1.679 -1.103 204 HG23 VAL 29 2HG2 VAL 29 2.983 -1.705 -2.851 205 H LYS 30 H LYS 30 1.853 -6.065 -3.614 206 HA LYS 30 HA LYS 30 4.698 -6.017 -4.198 207 HB2 LYS 30 2HB LYS 30 3.220 -7.744 -2.949 208 HB3 LYS 30 1HB LYS 30 2.794 -8.334 -4.556 209 HG2 LYS 30 2HG LYS 30 4.850 -9.254 -4.904 210 HG3 LYS 30 1HG LYS 30 5.688 -7.922 -4.104 211 HD2 LYS 30 2HD LYS 30 6.044 -9.581 -2.536 212 HD3 LYS 30 1HD LYS 30 4.501 -8.951 -1.952 213 HE2 LYS 30 2HE LYS 30 3.768 -11.106 -2.128 214 HE3 LYS 30 1HE LYS 30 3.729 -10.805 -3.876 215 HZ1 LYS 30 3HZ LYS 30 5.128 -12.690 -3.484 216 HZ2 LYS 30 1HZ LYS 30 6.014 -11.861 -2.296 217 HZ3 LYS 30 2HZ LYS 30 6.125 -11.385 -3.925 218 H ASP 31 H ASP 31 1.788 -5.995 -6.105 219 HA ASP 31 HA ASP 31 2.974 -7.068 -8.549 220 HB2 ASP 31 2HB ASP 31 0.418 -6.243 -7.487 221 HB3 ASP 31 1HB ASP 31 0.659 -5.523 -9.081 222 H ILE 32 H ILE 32 2.882 -3.963 -7.006 223 HA ILE 32 HA ILE 32 3.465 -2.517 -9.531 224 HB ILE 32 HB ILE 32 3.376 -0.545 -7.933 225 HG12 ILE 32 2HG1 ILE 32 2.355 -2.591 -5.948 226 HG13 ILE 32 1HG1 ILE 32 4.021 -2.013 -5.932 227 HG21 ILE 32 1HG2 ILE 32 0.912 -0.788 -7.534 228 HG22 ILE 32 2HG2 ILE 32 1.040 -2.473 -8.038 229 HG23 ILE 32 3HG2 ILE 32 1.397 -1.181 -9.183 230 HD11 ILE 32 3HD1 ILE 32 2.905 -0.579 -4.419 231 HD12 ILE 32 1HD1 ILE 32 1.486 -0.449 -5.456 232 HD13 ILE 32 2HD1 ILE 32 2.986 0.358 -5.911 233 H ARG 33 H ARG 33 5.380 -4.477 -8.282 234 HA ARG 33 HA ARG 33 7.675 -4.610 -7.712 235 HB2 ARG 33 2HB ARG 33 7.236 -2.518 -9.795 236 HB3 ARG 33 1HB ARG 33 8.859 -2.660 -9.117 237 HG2 ARG 33 2HG ARG 33 7.796 -5.287 -9.675 238 HG3 ARG 33 1HG ARG 33 7.704 -4.281 -11.121 239 HD2 ARG 33 2HD ARG 33 9.936 -4.492 -11.432 240 HD3 ARG 33 1HD ARG 33 10.241 -3.835 -9.810 241 HE ARG 33 HE ARG 33 9.285 -6.546 -9.624 242 HH11 ARG 33 1HH2 ARG 33 12.024 -4.611 -10.448 243 HH12 ARG 33 2HH2 ARG 33 13.176 -5.832 -10.023 244 HH21 ARG 33 1HH1 ARG 33 10.782 -8.147 -9.068 245 HH22 ARG 33 2HH1 ARG 33 12.476 -7.828 -9.243 246 H MET 34 H MET 34 6.340 -3.354 -5.611 247 HA MET 34 HA MET 34 8.053 -0.986 -4.955 248 HB2 MET 34 2HB MET 34 5.289 -1.917 -4.299 249 HB3 MET 34 1HB MET 34 6.139 -0.973 -3.075 250 HG2 MET 34 2HG MET 34 6.129 -0.013 -5.920 251 HG3 MET 34 1HG MET 34 4.706 0.261 -4.907 252 HE1 MET 34 3HE MET 34 5.281 2.345 -5.909 253 HE2 MET 34 1HE MET 34 6.757 3.290 -5.676 254 HE3 MET 34 2HE MET 34 5.394 3.495 -4.579 255 H ASN 35 H ASN 35 7.989 -1.035 -2.225 256 HA ASN 35 HA ASN 35 9.220 -3.685 -1.529 257 HB2 ASN 35 2HB ASN 35 10.917 -2.001 -1.681 258 HB3 ASN 35 1HB ASN 35 9.921 -0.828 -0.818 259 HD21 ASN 35 1HD2 ASN 35 10.567 -0.579 1.318 260 HD22 ASN 35 2HD2 ASN 35 11.246 -1.805 2.288 261 HA PRO 36 HA PRO 36 5.694 -2.945 1.329 262 HB2 PRO 36 2HB PRO 36 4.750 -5.512 1.256 263 HB3 PRO 36 1HB PRO 36 4.288 -4.279 0.066 264 HG2 PRO 36 2HG PRO 36 6.218 -6.516 -0.179 265 HG3 PRO 36 1HG PRO 36 5.141 -5.811 -1.393 266 HD2 PRO 36 2HD PRO 36 7.848 -5.307 -1.209 267 HD3 PRO 36 1HD PRO 36 6.672 -4.248 -2.014 268 HA PRO 37 HA PRO 37 7.627 -4.734 4.841 269 HB2 PRO 37 2HB PRO 37 5.503 -5.321 6.462 270 HB3 PRO 37 1HB PRO 37 6.032 -3.660 6.129 271 HG2 PRO 37 2HG PRO 37 3.737 -5.172 5.015 272 HG3 PRO 37 1HG PRO 37 3.887 -3.447 5.380 273 HD2 PRO 37 2HD PRO 37 4.069 -4.562 2.855 274 HD3 PRO 37 1HD PRO 37 4.710 -2.971 3.320 275 H ALA 38 H ALA 38 8.395 -6.761 5.445 276 HA ALA 38 HA ALA 38 7.155 -9.126 4.174 277 HB1 ALA 38 1HB ALA 38 9.730 -8.238 4.712 278 HB2 ALA 38 2HB ALA 38 9.301 -9.873 4.208 279 HB3 ALA 38 3HB ALA 38 9.484 -9.498 5.921 280 H ASP 39 H ASP 39 5.761 -7.814 6.419 281 HA ASP 39 HA ASP 39 5.566 -10.188 8.213 282 HB2 ASP 39 2HB ASP 39 6.525 -7.470 8.819 283 HB3 ASP 39 1HB ASP 39 5.248 -8.020 9.905 284 H LYS 40 H LYS 40 4.007 -8.683 5.999 285 HA LYS 40 HA LYS 40 1.453 -8.390 7.534 286 HB2 LYS 40 2HB LYS 40 1.414 -6.275 6.742 287 HB3 LYS 40 1HB LYS 40 2.954 -6.556 5.942 288 HG2 LYS 40 2HG LYS 40 0.351 -7.437 4.690 289 HG3 LYS 40 1HG LYS 40 0.976 -5.803 4.468 290 HD2 LYS 40 2HD LYS 40 3.193 -6.996 3.799 291 HD3 LYS 40 1HD LYS 40 2.171 -8.411 3.565 292 HE2 LYS 40 2HE LYS 40 2.335 -7.228 1.435 293 HE3 LYS 40 1HE LYS 40 0.694 -6.999 2.067 294 HZ1 LYS 40 3HZ LYS 40 1.090 -4.822 2.027 295 HZ2 LYS 40 1HZ LYS 40 2.722 -5.053 1.632 296 HZ3 LYS 40 2HZ LYS 40 2.236 -5.047 3.259 297 H CYS 41 H CYS 41 3.134 -10.025 5.030 298 HA CYS 41 HA CYS 41 0.647 -10.796 3.593 299 HB2 CYS 41 2HB CYS 41 3.599 -10.919 3.183 300 HB3 CYS 41 1HB CYS 41 2.631 -12.169 2.393 301 HA PRO 42 HA PRO 42 0.287 -14.473 6.010 302 HB2 PRO 42 2HB PRO 42 -1.440 -15.827 4.373 303 HB3 PRO 42 1HB PRO 42 -1.946 -14.470 5.400 304 HG2 PRO 42 2HG PRO 42 -1.360 -14.521 2.486 305 HG3 PRO 42 1HG PRO 42 -2.605 -13.629 3.373 306 HD2 PRO 42 2HD PRO 42 -0.282 -12.507 2.468 307 HD3 PRO 42 1HD PRO 42 -1.198 -11.898 3.865 Start of MODEL 18 1 H1 ILE 1 H ILE 1 -1.539 16.666 3.307 2 HA ILE 1 HA ILE 1 -1.557 14.032 4.748 3 HB ILE 1 HB ILE 1 -3.895 13.969 3.455 4 HG12 ILE 1 2HG1 ILE 1 -3.607 16.923 4.054 5 HG13 ILE 1 1HG1 ILE 1 -3.366 16.259 2.437 6 HG21 ILE 1 1HG2 ILE 1 -3.785 13.712 5.824 7 HG22 ILE 1 2HG2 ILE 1 -4.908 15.041 5.534 8 HG23 ILE 1 3HG2 ILE 1 -3.256 15.380 6.051 9 HD11 ILE 1 3HD1 ILE 1 -5.607 16.568 2.209 10 HD12 ILE 1 1HD1 ILE 1 -5.865 16.661 3.951 11 HD13 ILE 1 2HD1 ILE 1 -5.738 15.089 3.162 12 HA PRO 2 HA PRO 2 0.186 13.099 0.681 13 HB2 PRO 2 2HB PRO 2 1.356 10.757 1.484 14 HB3 PRO 2 1HB PRO 2 2.095 12.350 1.757 15 HG2 PRO 2 2HG PRO 2 0.580 10.616 3.643 16 HG3 PRO 2 1HG PRO 2 2.008 11.622 3.932 17 HD2 PRO 2 2HD PRO 2 -0.525 12.352 4.644 18 HD3 PRO 2 1HD PRO 2 0.768 13.515 4.267 19 H TYR 3 H TYR 3 0.314 10.339 -0.001 20 HA TYR 3 HA TYR 3 -2.561 9.523 0.148 21 HB2 TYR 3 2HB TYR 3 -1.649 8.473 -2.215 22 HB3 TYR 3 1HB TYR 3 -2.496 10.013 -2.077 23 HD1 TYR 3 1HD TYR 3 -1.069 12.131 -1.682 24 HD2 TYR 3 2HD TYR 3 0.565 8.390 -3.021 25 HE1 TYR 3 1HE TYR 3 0.944 13.312 -2.529 26 HE2 TYR 3 2HE TYR 3 2.576 9.570 -3.865 27 HH TYR 3 HH TYR 3 3.130 12.968 -3.199 28 H CYS 4 H CYS 4 0.333 7.976 -1.167 29 HA CYS 4 HA CYS 4 -0.375 5.470 0.241 30 HB2 CYS 4 2HB CYS 4 0.190 5.447 -2.143 31 HB3 CYS 4 1HB CYS 4 1.741 6.216 -1.805 32 H GLY 5 H GLY 5 1.581 8.182 0.820 33 HA2 GLY 5 2HA GLY 5 2.875 8.462 2.832 34 HA3 GLY 5 1HA GLY 5 3.018 6.704 2.952 35 H GLN 6 H GLN 6 4.720 5.669 1.879 36 HA GLN 6 HA GLN 6 6.415 7.159 -0.016 37 HB2 GLN 6 2HB GLN 6 6.916 6.978 2.863 38 HB3 GLN 6 1HB GLN 6 8.269 6.361 1.908 39 HG2 GLN 6 2HG GLN 6 8.120 8.480 0.522 40 HG3 GLN 6 1HG GLN 6 6.982 9.096 1.723 41 HE21 GLN 6 1HE2 GLN 6 7.897 10.133 3.508 42 HE22 GLN 6 2HE2 GLN 6 9.533 10.005 3.971 43 H THR 7 H THR 7 6.291 4.315 2.164 44 HA THR 7 HA THR 7 7.516 2.689 -0.036 45 HB THR 7 HB THR 7 8.124 1.179 1.885 46 HG1 THR 7 1HG THR 7 6.336 2.087 3.183 47 HG21 THR 7 3HG2 THR 7 8.987 4.048 1.733 48 HG22 THR 7 1HG2 THR 7 9.885 2.590 1.308 49 HG23 THR 7 2HG2 THR 7 9.639 3.013 3.003 50 H GLY 8 H GLY 8 6.569 0.614 -0.487 51 HA2 GLY 8 2HA GLY 8 3.802 0.424 -0.682 52 HA3 GLY 8 1HA GLY 8 4.851 -0.994 -0.599 53 H ALA 9 H ALA 9 5.825 -0.319 2.107 54 HA ALA 9 HA ALA 9 4.015 -1.805 3.689 55 HB1 ALA 9 1HB ALA 9 5.555 0.226 5.137 56 HB2 ALA 9 2HB ALA 9 6.516 -0.614 3.920 57 HB3 ALA 9 3HB ALA 9 5.699 -1.531 5.186 58 H GLU 10 H GLU 10 4.185 1.685 3.089 59 HA GLU 10 HA GLU 10 2.202 2.386 5.104 60 HB2 GLU 10 2HB GLU 10 3.235 3.857 2.654 61 HB3 GLU 10 1HB GLU 10 2.395 4.592 4.020 62 HG2 GLU 10 2HG GLU 10 4.541 3.035 5.071 63 HG3 GLU 10 1HG GLU 10 5.191 4.025 3.760 64 H CYS 11 H CYS 11 2.148 1.624 1.645 65 HA CYS 11 HA CYS 11 -0.563 2.467 1.134 66 HB2 CYS 11 2HB CYS 11 1.663 1.141 -0.174 67 HB3 CYS 11 1HB CYS 11 0.142 0.352 -0.591 68 H TYR 12 H TYR 12 0.874 -0.453 2.455 69 HA TYR 12 HA TYR 12 -0.956 -2.470 2.159 70 HB2 TYR 12 2HB TYR 12 0.945 -2.780 3.533 71 HB3 TYR 12 1HB TYR 12 0.529 -1.413 4.563 72 HD1 TYR 12 2HD TYR 12 -1.419 -4.379 3.332 73 HD2 TYR 12 1HD TYR 12 0.014 -2.153 6.714 74 HE1 TYR 12 2HE TYR 12 -2.667 -5.888 4.855 75 HE2 TYR 12 1HE TYR 12 -1.235 -3.660 8.236 76 HH TYR 12 HH TYR 12 -2.147 -5.949 8.215 77 H SER 13 H SER 13 -1.431 0.482 4.018 78 HA SER 13 HA SER 13 -3.864 -0.396 5.347 79 HB2 SER 13 2HB SER 13 -2.067 1.552 5.748 80 HB3 SER 13 1HB SER 13 -3.252 2.484 4.836 81 HG SER 13 HG SER 13 -4.512 2.439 6.512 82 H TRP 14 H TRP 14 -3.191 1.536 2.417 83 HA TRP 14 HA TRP 14 -5.919 2.257 1.864 84 HB2 TRP 14 2HB TRP 14 -3.909 3.361 0.946 85 HB3 TRP 14 1HB TRP 14 -3.508 1.889 0.056 86 HD1 TRP 14 HD TRP 14 -6.593 4.214 0.383 87 HE1 TRP 14 1HE TRP 14 -7.634 4.489 -1.961 88 HE3 TRP 14 3HE TRP 14 -3.461 1.227 -2.325 89 HZ2 TRP 14 2HZ TRP 14 -7.193 3.562 -4.633 90 HZ3 TRP 14 3HZ TRP 14 -3.792 0.941 -4.764 91 HH2 TRP 14 HH TRP 14 -5.652 2.104 -5.921 92 H CYS 15 H CYS 15 -3.880 -0.159 0.173 93 HA CYS 15 HA CYS 15 -5.740 -1.405 -1.447 94 HB2 CYS 15 2HB CYS 15 -4.328 -3.495 -0.936 95 HB3 CYS 15 1HB CYS 15 -3.441 -2.061 -1.458 96 H ILE 16 H ILE 16 -5.343 -1.905 2.049 97 HA ILE 16 HA ILE 16 -7.182 -4.121 2.254 98 HB ILE 16 HB ILE 16 -6.212 -2.082 4.279 99 HG12 ILE 16 2HG1 ILE 16 -4.500 -3.414 2.890 100 HG13 ILE 16 1HG1 ILE 16 -4.357 -3.524 4.645 101 HG21 ILE 16 1HG2 ILE 16 -7.264 -4.903 4.660 102 HG22 ILE 16 2HG2 ILE 16 -8.167 -3.433 5.027 103 HG23 ILE 16 3HG2 ILE 16 -6.705 -3.820 5.934 104 HD11 ILE 16 3HD1 ILE 16 -5.452 -5.667 4.674 105 HD12 ILE 16 1HD1 ILE 16 -4.204 -5.741 3.431 106 HD13 ILE 16 2HD1 ILE 16 -5.893 -5.525 2.972 107 H LYS 17 H LYS 17 -7.655 -0.647 2.123 108 HA LYS 17 HA LYS 17 -10.155 -0.456 3.490 109 HB2 LYS 17 2HB LYS 17 -8.451 1.109 1.743 110 HB3 LYS 17 1HB LYS 17 -10.148 1.363 1.336 111 HG2 LYS 17 2HG LYS 17 -9.762 1.304 4.213 112 HG3 LYS 17 1HG LYS 17 -8.750 2.539 3.463 113 HD2 LYS 17 2HD LYS 17 -10.870 3.222 2.156 114 HD3 LYS 17 1HD LYS 17 -11.753 2.251 3.336 115 HE2 LYS 17 2HE LYS 17 -11.790 4.331 4.396 116 HE3 LYS 17 1HE LYS 17 -10.282 3.673 5.063 117 HZ1 LYS 17 3HZ LYS 17 -10.122 4.950 2.446 118 HZ2 LYS 17 1HZ LYS 17 -9.009 4.962 3.726 119 HZ3 LYS 17 2HZ LYS 17 -10.366 5.981 3.775 120 H GLN 18 H GLN 18 -9.345 -1.856 0.410 121 HA GLN 18 HA GLN 18 -11.938 -1.621 -0.852 122 HB2 GLN 18 2HB GLN 18 -9.710 -3.652 -1.211 123 HB3 GLN 18 1HB GLN 18 -10.979 -3.288 -2.382 124 HG2 GLN 18 2HG GLN 18 -9.068 -1.186 -1.339 125 HG3 GLN 18 1HG GLN 18 -8.747 -2.132 -2.797 126 HE21 GLN 18 1HE2 GLN 18 -9.005 0.588 -3.190 127 HE22 GLN 18 2HE2 GLN 18 -10.499 0.952 -3.909 128 H ASP 19 H ASP 19 -10.608 -3.714 1.588 129 HA ASP 19 HA ASP 19 -11.657 -5.380 2.897 130 HB2 ASP 19 2HB ASP 19 -13.547 -3.560 2.292 131 HB3 ASP 19 1HB ASP 19 -14.234 -4.961 1.462 132 H LEU 20 H LEU 20 -10.364 -6.159 0.419 133 HA LEU 20 HA LEU 20 -12.181 -8.160 -0.813 134 HB2 LEU 20 2HB LEU 20 -9.244 -7.811 -1.384 135 HB3 LEU 20 1HB LEU 20 -10.526 -8.301 -2.487 136 HG LEU 20 HG LEU 20 -9.983 -5.538 -1.388 137 HD11 LEU 20 1HD1 LEU 20 -9.406 -6.943 -3.830 138 HD12 LEU 20 2HD1 LEU 20 -8.965 -5.296 -3.376 139 HD13 LEU 20 3HD1 LEU 20 -10.506 -5.608 -4.174 140 HD21 LEU 20 3HD2 LEU 20 -12.366 -6.411 -3.049 141 HD22 LEU 20 1HD2 LEU 20 -12.066 -4.808 -2.380 142 HD23 LEU 20 2HD2 LEU 20 -12.439 -6.155 -1.306 143 H SER 21 H SER 21 -9.028 -8.092 0.880 144 HA SER 21 HA SER 21 -9.500 -10.314 2.573 145 HB2 SER 21 2HB SER 21 -8.775 -10.890 -0.251 146 HB3 SER 21 1HB SER 21 -7.912 -11.825 0.965 147 HG SER 21 HG SER 21 -10.078 -12.582 0.132 148 H LYS 22 H LYS 22 -7.805 -10.324 4.036 149 HA LYS 22 HA LYS 22 -5.706 -8.472 4.040 150 HB2 LYS 22 2HB LYS 22 -6.654 -10.185 5.799 151 HB3 LYS 22 1HB LYS 22 -5.376 -11.237 5.189 152 HG2 LYS 22 2HG LYS 22 -3.689 -9.537 5.705 153 HG3 LYS 22 1HG LYS 22 -4.949 -8.426 6.248 154 HD2 LYS 22 2HD LYS 22 -5.591 -10.474 7.820 155 HD3 LYS 22 1HD LYS 22 -3.895 -10.892 7.575 156 HE2 LYS 22 2HE LYS 22 -3.138 -9.066 8.759 157 HE3 LYS 22 1HE LYS 22 -4.492 -8.043 8.241 158 HZ1 LYS 22 3HZ LYS 22 -4.520 -8.885 10.636 159 HZ2 LYS 22 1HZ LYS 22 -4.910 -10.399 9.978 160 HZ3 LYS 22 2HZ LYS 22 -5.943 -9.072 9.726 161 H ASP 23 H ASP 23 -5.953 -11.450 2.260 162 HA ASP 23 HA ASP 23 -3.053 -11.522 1.657 163 HB2 ASP 23 2HB ASP 23 -4.083 -13.640 2.036 164 HB3 ASP 23 1HB ASP 23 -5.472 -13.229 1.027 165 H TRP 24 H TRP 24 -5.846 -10.006 0.485 166 HA TRP 24 HA TRP 24 -5.250 -10.093 -2.362 167 HB2 TRP 24 2HB TRP 24 -7.359 -9.255 -2.408 168 HB3 TRP 24 1HB TRP 24 -7.361 -9.396 -0.651 169 HD1 TRP 24 HD TRP 24 -7.289 -7.205 0.745 170 HE1 TRP 24 1HE TRP 24 -7.323 -4.698 0.144 171 HE3 TRP 24 3HE TRP 24 -6.512 -7.500 -4.282 172 HZ2 TRP 24 2HZ TRP 24 -7.060 -3.037 -2.176 173 HZ3 TRP 24 3HZ TRP 24 -6.409 -5.449 -5.669 174 HH2 TRP 24 HH TRP 24 -6.683 -3.218 -4.621 175 H CYS 25 H CYS 25 -4.950 -7.561 0.160 176 HA CYS 25 HA CYS 25 -3.610 -5.654 -1.517 177 HB2 CYS 25 2HB CYS 25 -4.625 -4.876 0.474 178 HB3 CYS 25 1HB CYS 25 -3.883 -6.147 1.451 179 H CYS 26 H CYS 26 -2.346 -8.071 0.813 180 HA CYS 26 HA CYS 26 0.374 -7.544 0.781 181 HB2 CYS 26 2HB CYS 26 -1.120 -10.174 0.536 182 HB3 CYS 26 1HB CYS 26 0.590 -10.061 0.955 183 H ASP 27 H ASP 27 -1.556 -9.012 -1.793 184 HA ASP 27 HA ASP 27 0.782 -9.501 -3.519 185 HB2 ASP 27 2HB ASP 27 -1.491 -10.799 -3.222 186 HB3 ASP 27 1HB ASP 27 -2.108 -9.593 -4.353 187 H PHE 28 H PHE 28 -1.468 -6.942 -2.911 188 HA PHE 28 HA PHE 28 -1.345 -5.715 -5.548 189 HB2 PHE 28 2HB PHE 28 -3.234 -5.470 -3.998 190 HB3 PHE 28 1HB PHE 28 -2.176 -4.688 -2.818 191 HD1 PHE 28 2HD PHE 28 -1.044 -2.504 -3.440 192 HD2 PHE 28 1HD PHE 28 -4.194 -4.240 -5.789 193 HE1 PHE 28 2HE PHE 28 -1.428 -0.316 -4.543 194 HE2 PHE 28 1HE PHE 28 -4.579 -2.053 -6.891 195 HZ PHE 28 HZ PHE 28 -3.195 -0.090 -6.268 196 H VAL 29 H VAL 29 0.014 -4.712 -2.362 197 HA VAL 29 HA VAL 29 1.463 -2.474 -3.186 198 HB VAL 29 HB VAL 29 2.745 -2.770 -1.216 199 HG11 VAL 29 1HG1 VAL 29 0.482 -4.568 -0.447 200 HG12 VAL 29 2HG1 VAL 29 0.105 -2.952 -1.045 201 HG13 VAL 29 3HG1 VAL 29 1.120 -3.149 0.385 202 HG21 VAL 29 3HG2 VAL 29 2.240 -5.748 -1.491 203 HG22 VAL 29 1HG2 VAL 29 3.145 -4.977 -0.188 204 HG23 VAL 29 2HG2 VAL 29 3.759 -4.921 -1.841 205 H LYS 30 H LYS 30 2.238 -5.868 -3.777 206 HA LYS 30 HA LYS 30 4.923 -5.223 -4.804 207 HB2 LYS 30 2HB LYS 30 5.234 -7.505 -4.666 208 HB3 LYS 30 1HB LYS 30 3.857 -7.371 -3.577 209 HG2 LYS 30 2HG LYS 30 2.324 -7.932 -5.409 210 HG3 LYS 30 1HG LYS 30 3.676 -8.007 -6.538 211 HD2 LYS 30 2HD LYS 30 4.640 -9.888 -5.367 212 HD3 LYS 30 1HD LYS 30 3.457 -9.742 -4.065 213 HE2 LYS 30 2HE LYS 30 2.948 -11.561 -5.783 214 HE3 LYS 30 1HE LYS 30 1.646 -10.376 -5.554 215 HZ1 LYS 30 3HZ LYS 30 2.297 -9.193 -7.455 216 HZ2 LYS 30 1HZ LYS 30 2.352 -10.818 -7.934 217 HZ3 LYS 30 2HZ LYS 30 3.790 -9.995 -7.561 218 H ASP 31 H ASP 31 1.725 -6.058 -6.107 219 HA ASP 31 HA ASP 31 2.440 -6.429 -8.835 220 HB2 ASP 31 2HB ASP 31 0.137 -6.275 -7.215 221 HB3 ASP 31 1HB ASP 31 -0.091 -5.056 -8.470 222 H ILE 32 H ILE 32 2.220 -3.536 -6.892 223 HA ILE 32 HA ILE 32 2.140 -1.728 -9.223 224 HB ILE 32 HB ILE 32 2.309 -0.015 -7.368 225 HG12 ILE 32 2HG1 ILE 32 1.972 -2.333 -5.475 226 HG13 ILE 32 1HG1 ILE 32 3.584 -1.766 -5.911 227 HG21 ILE 32 1HG2 ILE 32 0.061 -0.170 -7.228 228 HG22 ILE 32 2HG2 ILE 32 0.164 -1.683 -6.327 229 HG23 ILE 32 3HG2 ILE 32 0.191 -1.703 -8.090 230 HD11 ILE 32 3HD1 ILE 32 3.311 -0.266 -4.232 231 HD12 ILE 32 1HD1 ILE 32 1.566 -0.510 -4.181 232 HD13 ILE 32 2HD1 ILE 32 2.268 0.593 -5.366 233 H ARG 33 H ARG 33 4.468 -3.654 -8.625 234 HA ARG 33 HA ARG 33 6.815 -3.586 -8.841 235 HB2 ARG 33 2HB ARG 33 6.158 -0.758 -9.731 236 HB3 ARG 33 1HB ARG 33 7.624 -1.657 -10.123 237 HG2 ARG 33 2HG ARG 33 6.062 -3.429 -11.143 238 HG3 ARG 33 1HG ARG 33 4.800 -2.200 -11.047 239 HD2 ARG 33 2HD ARG 33 7.374 -1.310 -12.250 240 HD3 ARG 33 1HD ARG 33 6.409 -2.448 -13.212 241 HE ARG 33 HE ARG 33 4.518 -0.660 -12.324 242 HH11 ARG 33 1HH2 ARG 33 7.591 -0.375 -13.877 243 HH12 ARG 33 2HH2 ARG 33 7.185 1.096 -14.695 244 HH21 ARG 33 1HH1 ARG 33 3.977 1.256 -13.389 245 HH22 ARG 33 2HH1 ARG 33 5.141 2.019 -14.420 246 H MET 34 H MET 34 5.917 -3.147 -6.214 247 HA MET 34 HA MET 34 7.825 -1.032 -5.262 248 HB2 MET 34 2HB MET 34 4.978 -1.595 -4.715 249 HB3 MET 34 1HB MET 34 5.949 -1.299 -3.274 250 HG2 MET 34 2HG MET 34 6.262 0.536 -5.624 251 HG3 MET 34 1HG MET 34 4.850 0.725 -4.580 252 HE1 MET 34 3HE MET 34 5.922 2.805 -1.891 253 HE2 MET 34 1HE MET 34 4.680 1.834 -2.694 254 HE3 MET 34 2HE MET 34 5.469 3.151 -3.558 255 H ASN 35 H ASN 35 8.056 -1.564 -2.670 256 HA ASN 35 HA ASN 35 9.065 -4.374 -2.584 257 HB2 ASN 35 2HB ASN 35 10.739 -2.741 -2.127 258 HB3 ASN 35 1HB ASN 35 9.653 -1.806 -1.099 259 HD21 ASN 35 1HD2 ASN 35 10.197 -2.053 1.063 260 HD22 ASN 35 2HD2 ASN 35 10.767 -3.497 1.773 261 HA PRO 36 HA PRO 36 5.387 -4.849 0.018 262 HB2 PRO 36 2HB PRO 36 5.357 -7.575 -0.140 263 HB3 PRO 36 1HB PRO 36 4.667 -6.527 -1.397 264 HG2 PRO 36 2HG PRO 36 7.279 -7.954 -1.343 265 HG3 PRO 36 1HG PRO 36 6.168 -7.688 -2.695 266 HD2 PRO 36 2HD PRO 36 8.448 -6.242 -2.317 267 HD3 PRO 36 1HD PRO 36 7.012 -5.610 -3.153 268 HA PRO 37 HA PRO 37 7.806 -5.799 3.599 269 HB2 PRO 37 2HB PRO 37 5.804 -5.537 5.442 270 HB3 PRO 37 1HB PRO 37 6.592 -4.146 4.673 271 HG2 PRO 37 2HG PRO 37 3.949 -5.366 4.116 272 HG3 PRO 37 1HG PRO 37 4.457 -3.675 4.021 273 HD2 PRO 37 2HD PRO 37 4.153 -5.369 1.853 274 HD3 PRO 37 1HD PRO 37 5.118 -3.875 1.860 275 H ALA 38 H ALA 38 8.259 -7.759 4.596 276 HA ALA 38 HA ALA 38 6.395 -10.012 4.102 277 HB1 ALA 38 1HB ALA 38 9.269 -9.552 4.610 278 HB2 ALA 38 2HB ALA 38 8.490 -10.776 3.608 279 HB3 ALA 38 3HB ALA 38 8.621 -11.015 5.351 280 H ASP 39 H ASP 39 7.671 -8.076 6.751 281 HA ASP 39 HA ASP 39 6.525 -9.885 8.799 282 HB2 ASP 39 2HB ASP 39 8.497 -7.729 8.581 283 HB3 ASP 39 1HB ASP 39 7.470 -7.562 10.005 284 H LYS 40 H LYS 40 5.003 -7.987 6.772 285 HA LYS 40 HA LYS 40 3.281 -6.681 8.859 286 HB2 LYS 40 2HB LYS 40 4.745 -5.352 7.111 287 HB3 LYS 40 1HB LYS 40 3.446 -5.782 5.997 288 HG2 LYS 40 2HG LYS 40 1.826 -4.605 7.232 289 HG3 LYS 40 1HG LYS 40 2.824 -4.574 8.686 290 HD2 LYS 40 2HD LYS 40 4.401 -3.040 7.596 291 HD3 LYS 40 1HD LYS 40 3.447 -3.095 6.113 292 HE2 LYS 40 2HE LYS 40 1.811 -1.714 6.957 293 HE3 LYS 40 1HE LYS 40 1.975 -2.360 8.601 294 HZ1 LYS 40 3HZ LYS 40 3.371 -0.724 9.096 295 HZ2 LYS 40 1HZ LYS 40 3.161 -0.059 7.551 296 HZ3 LYS 40 2HZ LYS 40 4.410 -1.178 7.830 297 H CYS 41 H CYS 41 3.447 -8.925 6.250 298 HA CYS 41 HA CYS 41 0.460 -8.959 6.000 299 HB2 CYS 41 2HB CYS 41 2.779 -9.362 4.205 300 HB3 CYS 41 1HB CYS 41 1.452 -10.504 3.970 301 HA PRO 42 HA PRO 42 1.724 -12.777 8.314 302 HB2 PRO 42 2HB PRO 42 -0.189 -12.561 10.260 303 HB3 PRO 42 1HB PRO 42 1.403 -11.786 10.379 304 HG2 PRO 42 2HG PRO 42 -1.224 -10.607 9.633 305 HG3 PRO 42 1HG PRO 42 0.095 -9.915 10.590 306 HD2 PRO 42 2HD PRO 42 -0.380 -9.284 7.971 307 HD3 PRO 42 1HD PRO 42 1.219 -9.175 8.743 Start of MODEL 19 1 H1 ILE 1 H ILE 1 -3.809 13.563 2.079 2 HA ILE 1 HA ILE 1 -6.663 12.796 1.554 3 HB ILE 1 HB ILE 1 -4.401 12.775 -0.446 4 HG12 ILE 1 2HG1 ILE 1 -6.011 15.055 -0.890 5 HG13 ILE 1 1HG1 ILE 1 -5.613 15.078 0.828 6 HG21 ILE 1 1HG2 ILE 1 -6.192 12.844 -2.060 7 HG22 ILE 1 2HG2 ILE 1 -7.384 13.166 -0.801 8 HG23 ILE 1 3HG2 ILE 1 -6.593 11.592 -0.884 9 HD11 ILE 1 3HD1 ILE 1 -3.853 15.440 -1.515 10 HD12 ILE 1 1HD1 ILE 1 -3.201 14.385 -0.262 11 HD13 ILE 1 2HD1 ILE 1 -3.670 16.039 0.134 12 HA PRO 2 HA PRO 2 -4.795 8.854 2.667 13 HB2 PRO 2 2HB PRO 2 -7.171 7.570 3.091 14 HB3 PRO 2 1HB PRO 2 -6.429 8.648 4.293 15 HG2 PRO 2 2HG PRO 2 -8.688 9.155 2.436 16 HG3 PRO 2 1HG PRO 2 -8.421 9.745 4.082 17 HD2 PRO 2 2HD PRO 2 -8.000 11.224 1.789 18 HD3 PRO 2 1HD PRO 2 -7.256 11.562 3.367 19 H TYR 3 H TYR 3 -4.039 7.743 0.875 20 HA TYR 3 HA TYR 3 -5.993 6.436 -0.910 21 HB2 TYR 3 2HB TYR 3 -5.806 8.501 -2.047 22 HB3 TYR 3 1HB TYR 3 -4.083 8.634 -1.685 23 HD1 TYR 3 2HD TYR 3 -6.400 6.174 -3.337 24 HD2 TYR 3 1HD TYR 3 -2.639 8.244 -3.457 25 HE1 TYR 3 2HE TYR 3 -5.863 5.072 -5.493 26 HE2 TYR 3 1HE TYR 3 -2.101 7.141 -5.615 27 HH TYR 3 HH TYR 3 -4.145 5.862 -7.582 28 H CYS 4 H CYS 4 -2.566 7.124 -0.319 29 HA CYS 4 HA CYS 4 -1.878 4.301 -0.225 30 HB2 CYS 4 2HB CYS 4 -2.253 5.361 -2.742 31 HB3 CYS 4 1HB CYS 4 -0.512 5.538 -2.521 32 H GLY 5 H GLY 5 -0.101 7.115 -1.530 33 HA2 GLY 5 2HA GLY 5 1.313 8.395 0.179 34 HA3 GLY 5 1HA GLY 5 1.828 6.798 0.737 35 H GLN 6 H GLN 6 4.040 7.095 0.158 36 HA GLN 6 HA GLN 6 4.537 7.279 -2.799 37 HB2 GLN 6 2HB GLN 6 5.876 8.447 -0.373 38 HB3 GLN 6 1HB GLN 6 6.838 8.143 -1.825 39 HG2 GLN 6 2HG GLN 6 4.810 9.360 -3.024 40 HG3 GLN 6 1HG GLN 6 4.569 10.057 -1.421 41 HE21 GLN 6 1HE2 GLN 6 5.236 12.039 -2.972 42 HE22 GLN 6 2HE2 GLN 6 6.899 12.415 -2.961 43 H THR 7 H THR 7 4.357 5.045 -0.472 44 HA THR 7 HA THR 7 6.592 3.447 -1.634 45 HB THR 7 HB THR 7 7.076 2.729 0.771 46 HG1 THR 7 1HG THR 7 6.365 4.479 2.250 47 HG21 THR 7 3HG2 THR 7 7.659 5.565 0.912 48 HG22 THR 7 1HG2 THR 7 7.940 4.948 -0.715 49 HG23 THR 7 2HG2 THR 7 8.764 4.214 0.660 50 H GLY 8 H GLY 8 6.337 1.071 -0.863 51 HA2 GLY 8 2HA GLY 8 3.587 0.250 -1.375 52 HA3 GLY 8 1HA GLY 8 4.954 -0.831 -1.084 53 H ALA 9 H ALA 9 5.696 0.433 1.458 54 HA ALA 9 HA ALA 9 4.255 -1.151 3.293 55 HB1 ALA 9 1HB ALA 9 6.040 -0.355 4.428 56 HB2 ALA 9 2HB ALA 9 5.157 1.156 4.642 57 HB3 ALA 9 3HB ALA 9 6.243 0.956 3.268 58 H GLU 10 H GLU 10 3.847 2.350 2.642 59 HA GLU 10 HA GLU 10 1.602 2.755 4.358 60 HB2 GLU 10 2HB GLU 10 2.533 4.100 1.802 61 HB3 GLU 10 1HB GLU 10 1.308 4.774 2.877 62 HG2 GLU 10 2HG GLU 10 4.153 4.094 3.675 63 HG3 GLU 10 1HG GLU 10 3.539 5.720 3.360 64 H CYS 11 H CYS 11 1.785 1.940 0.891 65 HA CYS 11 HA CYS 11 -1.046 1.985 0.401 66 HB2 CYS 11 2HB CYS 11 1.340 0.648 -0.902 67 HB3 CYS 11 1HB CYS 11 -0.279 0.575 -1.597 68 H TYR 12 H TYR 12 1.113 -0.469 1.715 69 HA TYR 12 HA TYR 12 -0.405 -2.826 1.327 70 HB2 TYR 12 2HB TYR 12 1.895 -1.965 2.660 71 HB3 TYR 12 1HB TYR 12 0.877 -2.648 3.925 72 HD1 TYR 12 2HD TYR 12 -0.455 -4.894 3.006 73 HD2 TYR 12 1HD TYR 12 3.387 -3.457 1.723 74 HE1 TYR 12 2HE TYR 12 0.168 -7.189 2.283 75 HE2 TYR 12 1HE TYR 12 4.007 -5.745 1.005 76 HH TYR 12 HH TYR 12 3.376 -8.058 1.502 77 H SER 13 H SER 13 -0.829 -0.220 3.682 78 HA SER 13 HA SER 13 -2.705 -1.709 5.349 79 HB2 SER 13 2HB SER 13 -2.812 1.228 5.419 80 HB3 SER 13 1HB SER 13 -2.399 0.097 6.702 81 HG SER 13 HG SER 13 -0.787 1.468 4.943 82 H TRP 14 H TRP 14 -2.970 0.753 2.792 83 HA TRP 14 HA TRP 14 -5.767 1.195 2.848 84 HB2 TRP 14 2HB TRP 14 -3.773 2.238 1.508 85 HB3 TRP 14 1HB TRP 14 -4.138 0.984 0.318 86 HD1 TRP 14 HD TRP 14 -5.936 3.831 2.211 87 HE1 TRP 14 1HE TRP 14 -7.798 4.754 0.685 88 HE3 TRP 14 3HE TRP 14 -5.521 0.612 -1.733 89 HZ2 TRP 14 2HZ TRP 14 -8.962 4.196 -1.869 90 HZ3 TRP 14 3HZ TRP 14 -7.020 0.830 -3.696 91 HH2 TRP 14 HH TRP 14 -8.737 2.615 -3.768 92 H CYS 15 H CYS 15 -4.039 -0.941 0.565 93 HA CYS 15 HA CYS 15 -6.163 -2.290 -0.595 94 HB2 CYS 15 2HB CYS 15 -4.456 -4.313 -0.482 95 HB3 CYS 15 1HB CYS 15 -4.061 -2.878 -1.415 96 H ILE 16 H ILE 16 -4.908 -2.759 2.685 97 HA ILE 16 HA ILE 16 -6.660 -5.093 3.154 98 HB ILE 16 HB ILE 16 -4.944 -3.472 5.056 99 HG12 ILE 16 2HG1 ILE 16 -3.759 -4.390 2.991 100 HG13 ILE 16 1HG1 ILE 16 -3.129 -4.953 4.538 101 HG21 ILE 16 1HG2 ILE 16 -6.382 -4.892 6.305 102 HG22 ILE 16 2HG2 ILE 16 -4.869 -5.790 6.182 103 HG23 ILE 16 3HG2 ILE 16 -6.228 -6.206 5.137 104 HD11 ILE 16 3HD1 ILE 16 -3.309 -6.916 3.227 105 HD12 ILE 16 1HD1 ILE 16 -4.877 -6.440 2.578 106 HD13 ILE 16 2HD1 ILE 16 -4.735 -6.954 4.257 107 H LYS 17 H LYS 17 -6.286 -1.841 4.637 108 HA LYS 17 HA LYS 17 -8.473 -1.764 6.328 109 HB2 LYS 17 2HB LYS 17 -7.218 0.251 4.467 110 HB3 LYS 17 1HB LYS 17 -8.544 0.720 5.532 111 HG2 LYS 17 2HG LYS 17 -6.388 -0.836 6.827 112 HG3 LYS 17 1HG LYS 17 -5.918 0.771 6.270 113 HD2 LYS 17 2HD LYS 17 -6.900 1.632 8.102 114 HD3 LYS 17 1HD LYS 17 -8.454 1.085 7.469 115 HE2 LYS 17 2HE LYS 17 -8.075 -1.141 8.544 116 HE3 LYS 17 1HE LYS 17 -6.579 -0.505 9.258 117 HZ1 LYS 17 3HZ LYS 17 -7.700 0.853 10.647 118 HZ2 LYS 17 1HZ LYS 17 -8.950 -0.275 10.438 119 HZ3 LYS 17 2HZ LYS 17 -8.945 1.162 9.532 120 H GLN 18 H GLN 18 -8.521 -1.325 2.789 121 HA GLN 18 HA GLN 18 -11.178 -0.543 2.386 122 HB2 GLN 18 2HB GLN 18 -9.083 -1.027 0.868 123 HB3 GLN 18 1HB GLN 18 -9.827 -2.618 0.695 124 HG2 GLN 18 2HG GLN 18 -11.065 -1.694 -0.923 125 HG3 GLN 18 1HG GLN 18 -11.960 -0.890 0.366 126 HE21 GLN 18 1HE2 GLN 18 -10.115 1.028 1.236 127 HE22 GLN 18 2HE2 GLN 18 -9.763 2.106 -0.029 128 H ASP 19 H ASP 19 -9.890 -3.675 3.316 129 HA ASP 19 HA ASP 19 -11.038 -5.559 4.194 130 HB2 ASP 19 2HB ASP 19 -12.769 -3.391 4.485 131 HB3 ASP 19 1HB ASP 19 -13.745 -4.599 3.642 132 H LEU 20 H LEU 20 -10.169 -5.664 1.547 133 HA LEU 20 HA LEU 20 -12.466 -6.738 -0.034 134 HB2 LEU 20 2HB LEU 20 -9.610 -6.499 -0.971 135 HB3 LEU 20 1HB LEU 20 -11.092 -6.380 -1.915 136 HG LEU 20 HG LEU 20 -9.905 -4.342 -0.036 137 HD11 LEU 20 1HD1 LEU 20 -9.097 -4.082 -2.251 138 HD12 LEU 20 2HD1 LEU 20 -10.413 -2.917 -2.124 139 HD13 LEU 20 3HD1 LEU 20 -10.671 -4.449 -2.955 140 HD21 LEU 20 3HD2 LEU 20 -12.250 -3.247 -1.048 141 HD22 LEU 20 1HD2 LEU 20 -12.034 -3.846 0.597 142 HD23 LEU 20 2HD2 LEU 20 -12.725 -4.896 -0.641 143 H SER 21 H SER 21 -9.105 -7.652 0.799 144 HA SER 21 HA SER 21 -9.748 -10.312 1.642 145 HB2 SER 21 2HB SER 21 -10.189 -11.195 -0.404 146 HB3 SER 21 1HB SER 21 -9.597 -9.753 -1.224 147 HG SER 21 HG SER 21 -8.343 -12.132 -0.684 148 H LYS 22 H LYS 22 -7.873 -11.305 2.476 149 HA LYS 22 HA LYS 22 -5.617 -9.803 3.159 150 HB2 LYS 22 2HB LYS 22 -5.854 -12.780 2.614 151 HB3 LYS 22 1HB LYS 22 -4.599 -12.022 3.597 152 HG2 LYS 22 2HG LYS 22 -6.761 -10.962 4.792 153 HG3 LYS 22 1HG LYS 22 -7.476 -12.470 4.216 154 HD2 LYS 22 2HD LYS 22 -4.899 -12.313 5.805 155 HD3 LYS 22 1HD LYS 22 -6.479 -12.652 6.514 156 HE2 LYS 22 2HE LYS 22 -5.518 -14.302 4.184 157 HE3 LYS 22 1HE LYS 22 -4.965 -14.678 5.828 158 HZ1 LYS 22 3HZ LYS 22 -7.087 -15.789 5.202 159 HZ2 LYS 22 1HZ LYS 22 -7.812 -14.259 5.098 160 HZ3 LYS 22 2HZ LYS 22 -7.204 -14.810 6.585 161 H ASP 23 H ASP 23 -5.687 -12.263 0.538 162 HA ASP 23 HA ASP 23 -3.146 -11.596 -0.568 163 HB2 ASP 23 2HB ASP 23 -5.656 -12.978 -1.441 164 HB3 ASP 23 1HB ASP 23 -4.459 -12.592 -2.677 165 H TRP 24 H TRP 24 -6.346 -10.194 -0.984 166 HA TRP 24 HA TRP 24 -6.202 -8.733 -3.329 167 HB2 TRP 24 2HB TRP 24 -7.867 -8.807 -1.242 168 HB3 TRP 24 1HB TRP 24 -7.010 -7.324 -0.806 169 HD1 TRP 24 HD TRP 24 -9.853 -8.464 -2.759 170 HE1 TRP 24 1HE TRP 24 -10.605 -6.691 -4.473 171 HE3 TRP 24 3HE TRP 24 -5.830 -5.322 -2.606 172 HZ2 TRP 24 2HZ TRP 24 -9.634 -4.268 -5.623 173 HZ3 TRP 24 3HZ TRP 24 -5.770 -3.289 -4.024 174 HH2 TRP 24 HH TRP 24 -7.668 -2.759 -5.529 175 H CYS 25 H CYS 25 -4.682 -7.899 -0.210 176 HA CYS 25 HA CYS 25 -3.398 -5.514 -1.384 177 HB2 CYS 25 2HB CYS 25 -4.331 -5.501 0.888 178 HB3 CYS 25 1HB CYS 25 -3.284 -6.850 1.331 179 H CYS 26 H CYS 26 -2.234 -8.473 0.281 180 HA CYS 26 HA CYS 26 0.495 -8.176 0.064 181 HB2 CYS 26 2HB CYS 26 -1.414 -10.276 0.376 182 HB3 CYS 26 1HB CYS 26 -0.169 -10.844 -0.737 183 H ASP 27 H ASP 27 -1.548 -9.588 -2.544 184 HA ASP 27 HA ASP 27 0.691 -9.652 -4.414 185 HB2 ASP 27 2HB ASP 27 -2.310 -9.938 -4.778 186 HB3 ASP 27 1HB ASP 27 -1.092 -10.384 -5.973 187 H PHE 28 H PHE 28 -1.657 -7.264 -3.482 188 HA PHE 28 HA PHE 28 -1.799 -5.768 -5.935 189 HB2 PHE 28 2HB PHE 28 -3.419 -5.435 -4.203 190 HB3 PHE 28 1HB PHE 28 -2.162 -5.109 -3.003 191 HD1 PHE 28 2HD PHE 28 -3.014 -3.867 -6.447 192 HD2 PHE 28 1HD PHE 28 -1.975 -2.879 -2.401 193 HE1 PHE 28 2HE PHE 28 -3.077 -1.455 -7.022 194 HE2 PHE 28 1HE PHE 28 -2.031 -0.471 -2.972 195 HZ PHE 28 HZ PHE 28 -2.586 0.245 -5.285 196 H VAL 29 H VAL 29 -0.052 -4.820 -2.945 197 HA VAL 29 HA VAL 29 1.535 -2.832 -4.240 198 HB VAL 29 HB VAL 29 1.562 -2.534 -1.955 199 HG11 VAL 29 1HG1 VAL 29 1.923 -4.526 -0.347 200 HG12 VAL 29 2HG1 VAL 29 1.586 -5.543 -1.751 201 HG13 VAL 29 3HG1 VAL 29 0.368 -4.405 -1.170 202 HG21 VAL 29 3HG2 VAL 29 3.959 -2.826 -2.813 203 HG22 VAL 29 1HG2 VAL 29 3.928 -4.412 -2.043 204 HG23 VAL 29 2HG2 VAL 29 3.730 -2.955 -1.069 205 H LYS 30 H LYS 30 2.429 -6.194 -3.343 206 HA LYS 30 HA LYS 30 5.037 -6.302 -4.289 207 HB2 LYS 30 2HB LYS 30 3.668 -8.126 -3.241 208 HB3 LYS 30 1HB LYS 30 2.845 -8.344 -4.785 209 HG2 LYS 30 2HG LYS 30 4.504 -9.717 -5.434 210 HG3 LYS 30 1HG LYS 30 5.621 -8.353 -5.351 211 HD2 LYS 30 2HD LYS 30 6.601 -9.878 -3.869 212 HD3 LYS 30 1HD LYS 30 5.648 -8.863 -2.784 213 HE2 LYS 30 2HE LYS 30 3.745 -10.619 -3.212 214 HE3 LYS 30 1HE LYS 30 5.085 -11.672 -3.714 215 HZ1 LYS 30 3HZ LYS 30 6.173 -10.669 -1.568 216 HZ2 LYS 30 1HZ LYS 30 5.141 -12.011 -1.468 217 HZ3 LYS 30 2HZ LYS 30 4.554 -10.460 -1.096 218 H ASP 31 H ASP 31 2.082 -5.992 -6.171 219 HA ASP 31 HA ASP 31 3.345 -6.644 -8.732 220 HB2 ASP 31 2HB ASP 31 0.684 -5.665 -7.736 221 HB3 ASP 31 1HB ASP 31 1.040 -5.624 -9.463 222 H ILE 32 H ILE 32 2.783 -3.697 -6.863 223 HA ILE 32 HA ILE 32 3.255 -1.961 -9.191 224 HB ILE 32 HB ILE 32 2.738 -0.205 -7.677 225 HG12 ILE 32 2HG1 ILE 32 3.030 -2.027 -5.290 226 HG13 ILE 32 1HG1 ILE 32 4.417 -1.134 -5.909 227 HG21 ILE 32 1HG2 ILE 32 1.147 -2.526 -7.826 228 HG22 ILE 32 2HG2 ILE 32 0.614 -0.894 -7.420 229 HG23 ILE 32 3HG2 ILE 32 1.084 -2.012 -6.140 230 HD11 ILE 32 3HD1 ILE 32 1.977 0.487 -5.627 231 HD12 ILE 32 1HD1 ILE 32 3.632 0.852 -5.144 232 HD13 ILE 32 2HD1 ILE 32 2.609 -0.137 -4.103 233 H ARG 33 H ARG 33 5.421 -3.813 -8.547 234 HA ARG 33 HA ARG 33 7.750 -3.822 -8.075 235 HB2 ARG 33 2HB ARG 33 7.119 -2.435 -10.224 236 HB3 ARG 33 1HB ARG 33 7.665 -1.061 -9.262 237 HG2 ARG 33 2HG ARG 33 9.840 -1.661 -9.440 238 HG3 ARG 33 1HG ARG 33 9.483 -3.359 -9.122 239 HD2 ARG 33 2HD ARG 33 10.362 -3.128 -11.405 240 HD3 ARG 33 1HD ARG 33 8.644 -3.564 -11.490 241 HE ARG 33 HE ARG 33 8.185 -1.394 -12.323 242 HH11 ARG 33 1HH2 ARG 33 11.316 -1.607 -10.882 243 HH12 ARG 33 2HH2 ARG 33 11.789 -0.013 -11.365 244 HH21 ARG 33 1HH1 ARG 33 8.790 0.694 -12.955 245 HH22 ARG 33 2HH1 ARG 33 10.362 1.289 -12.535 246 H MET 34 H MET 34 7.372 -3.562 -5.672 247 HA MET 34 HA MET 34 8.661 -1.058 -4.721 248 HB2 MET 34 2HB MET 34 5.870 -2.011 -4.173 249 HB3 MET 34 1HB MET 34 6.737 -1.154 -2.899 250 HG2 MET 34 2HG MET 34 6.513 -0.078 -5.717 251 HG3 MET 34 1HG MET 34 5.335 0.302 -4.459 252 HE1 MET 34 3HE MET 34 7.502 2.765 -5.906 253 HE2 MET 34 1HE MET 34 6.861 3.576 -4.471 254 HE3 MET 34 2HE MET 34 5.857 2.443 -5.368 255 H ASN 35 H ASN 35 8.501 -1.440 -2.027 256 HA ASN 35 HA ASN 35 9.899 -4.057 -1.637 257 HB2 ASN 35 2HB ASN 35 10.429 -1.357 -0.965 258 HB3 ASN 35 1HB ASN 35 10.070 -2.179 0.554 259 HD21 ASN 35 1HD2 ASN 35 12.705 -1.272 -0.950 260 HD22 ASN 35 2HD2 ASN 35 13.712 -2.637 -0.769 261 HA PRO 36 HA PRO 36 5.918 -4.677 0.541 262 HB2 PRO 36 2HB PRO 36 5.821 -7.367 0.099 263 HB3 PRO 36 1HB PRO 36 5.234 -6.173 -1.080 264 HG2 PRO 36 2HG PRO 36 7.782 -7.706 -1.041 265 HG3 PRO 36 1HG PRO 36 6.769 -7.232 -2.412 266 HD2 PRO 36 2HD PRO 36 9.087 -5.954 -1.706 267 HD3 PRO 36 1HD PRO 36 7.756 -5.185 -2.598 268 HA PRO 37 HA PRO 37 8.369 -6.150 3.984 269 HB2 PRO 37 2HB PRO 37 6.770 -5.093 5.931 270 HB3 PRO 37 1HB PRO 37 7.952 -4.125 5.029 271 HG2 PRO 37 2HG PRO 37 5.015 -4.216 4.787 272 HG3 PRO 37 1HG PRO 37 6.141 -2.901 4.427 273 HD2 PRO 37 2HD PRO 37 4.910 -4.619 2.566 274 HD3 PRO 37 1HD PRO 37 6.239 -3.482 2.245 275 H ALA 38 H ALA 38 7.944 -7.774 5.676 276 HA ALA 38 HA ALA 38 5.606 -9.486 5.027 277 HB1 ALA 38 1HB ALA 38 8.012 -9.907 6.830 278 HB2 ALA 38 2HB ALA 38 7.933 -10.367 5.129 279 HB3 ALA 38 3HB ALA 38 6.879 -11.154 6.304 280 H ASP 39 H ASP 39 5.327 -6.934 6.590 281 HA ASP 39 HA ASP 39 4.268 -8.113 9.140 282 HB2 ASP 39 2HB ASP 39 6.219 -6.709 9.524 283 HB3 ASP 39 1HB ASP 39 5.528 -5.418 8.541 284 H LYS 40 H LYS 40 3.460 -6.626 6.217 285 HA LYS 40 HA LYS 40 1.107 -5.177 7.306 286 HB2 LYS 40 2HB LYS 40 2.217 -5.516 4.498 287 HB3 LYS 40 1HB LYS 40 0.925 -4.407 4.959 288 HG2 LYS 40 2HG LYS 40 3.690 -4.336 6.192 289 HG3 LYS 40 1HG LYS 40 3.219 -3.345 4.810 290 HD2 LYS 40 2HD LYS 40 1.817 -2.014 6.064 291 HD3 LYS 40 1HD LYS 40 1.431 -3.309 7.198 292 HE2 LYS 40 2HE LYS 40 2.900 -2.323 8.621 293 HE3 LYS 40 1HE LYS 40 4.185 -2.889 7.535 294 HZ1 LYS 40 3HZ LYS 40 3.910 -0.906 6.200 295 HZ2 LYS 40 1HZ LYS 40 4.236 -0.466 7.806 296 HZ3 LYS 40 2HZ LYS 40 2.651 -0.362 7.204 297 H CYS 41 H CYS 41 1.925 -8.255 6.032 298 HA CYS 41 HA CYS 41 -0.907 -8.802 5.237 299 HB2 CYS 41 2HB CYS 41 1.577 -9.348 4.079 300 HB3 CYS 41 1HB CYS 41 1.079 -10.895 4.775 301 HA PRO 42 HA PRO 42 -0.894 -10.806 9.278 302 HB2 PRO 42 2HB PRO 42 -3.608 -11.139 9.385 303 HB3 PRO 42 1HB PRO 42 -2.809 -9.603 9.774 304 HG2 PRO 42 2HG PRO 42 -4.203 -10.433 7.280 305 HG3 PRO 42 1HG PRO 42 -4.200 -8.866 8.103 306 HD2 PRO 42 2HD PRO 42 -2.708 -9.408 5.882 307 HD3 PRO 42 1HD PRO 42 -2.250 -8.199 7.106 Start of MODEL 20 1 H1 ILE 1 H ILE 1 -3.040 14.072 7.731 2 HA ILE 1 HA ILE 1 -0.259 15.036 7.209 3 HB ILE 1 HB ILE 1 -0.703 15.189 9.605 4 HG12 ILE 1 2HG1 ILE 1 0.769 12.591 9.369 5 HG13 ILE 1 1HG1 ILE 1 1.440 14.019 8.584 6 HG21 ILE 1 1HG2 ILE 1 -1.096 12.519 10.398 7 HG22 ILE 1 2HG2 ILE 1 -2.209 12.769 9.054 8 HG23 ILE 1 3HG2 ILE 1 -2.279 13.824 10.465 9 HD11 ILE 1 3HD1 ILE 1 1.471 13.317 11.383 10 HD12 ILE 1 1HD1 ILE 1 0.628 14.850 11.162 11 HD13 ILE 1 2HD1 ILE 1 2.279 14.659 10.573 12 HA PRO 2 HA PRO 2 -1.417 10.721 5.627 13 HB2 PRO 2 2HB PRO 2 -1.692 11.306 2.968 14 HB3 PRO 2 1HB PRO 2 -3.052 11.348 4.111 15 HG2 PRO 2 2HG PRO 2 -1.443 13.589 2.998 16 HG3 PRO 2 1HG PRO 2 -3.176 13.508 3.349 17 HD2 PRO 2 2HD PRO 2 -1.350 14.759 4.958 18 HD3 PRO 2 1HD PRO 2 -2.890 14.083 5.542 19 H TYR 3 H TYR 3 0.205 9.402 4.637 20 HA TYR 3 HA TYR 3 2.321 10.469 2.972 21 HB2 TYR 3 2HB TYR 3 2.568 11.323 5.479 22 HB3 TYR 3 1HB TYR 3 3.285 9.724 5.710 23 HD1 TYR 3 2HD TYR 3 5.340 9.075 4.526 24 HD2 TYR 3 1HD TYR 3 3.646 12.999 4.090 25 HE1 TYR 3 2HE TYR 3 7.459 9.877 3.516 26 HE2 TYR 3 1HE TYR 3 5.765 13.801 3.080 27 HH TYR 3 HH TYR 3 8.597 12.352 3.355 28 H CYS 4 H CYS 4 2.527 8.633 1.727 29 HA CYS 4 HA CYS 4 2.474 5.958 3.031 30 HB2 CYS 4 2HB CYS 4 1.585 7.112 0.583 31 HB3 CYS 4 1HB CYS 4 2.827 5.929 0.173 32 H GLY 5 H GLY 5 4.782 8.115 2.852 33 HA2 GLY 5 2HA GLY 5 7.105 8.120 2.440 34 HA3 GLY 5 1HA GLY 5 7.003 6.474 3.077 35 H GLN 6 H GLN 6 5.416 7.518 0.110 36 HA GLN 6 HA GLN 6 5.619 6.626 -2.076 37 HB2 GLN 6 2HB GLN 6 8.032 7.829 -1.119 38 HB3 GLN 6 1HB GLN 6 8.479 6.445 -2.124 39 HG2 GLN 6 2HG GLN 6 8.184 7.893 -3.854 40 HG3 GLN 6 1HG GLN 6 6.468 7.557 -3.611 41 HE21 GLN 6 1HE2 GLN 6 5.897 8.981 -1.279 42 HE22 GLN 6 2HE2 GLN 6 6.178 10.645 -1.530 43 H THR 7 H THR 7 5.715 4.709 0.335 44 HA THR 7 HA THR 7 7.005 2.410 -1.101 45 HB THR 7 HB THR 7 7.284 1.534 1.292 46 HG1 THR 7 1HG THR 7 6.959 4.231 2.011 47 HG21 THR 7 3HG2 THR 7 9.391 2.331 1.150 48 HG22 THR 7 1HG2 THR 7 8.843 3.996 1.349 49 HG23 THR 7 2HG2 THR 7 8.847 3.254 -0.251 50 H GLY 8 H GLY 8 5.835 0.406 -1.010 51 HA2 GLY 8 2HA GLY 8 2.960 0.683 -0.941 52 HA3 GLY 8 1HA GLY 8 3.841 -0.830 -1.149 53 H ALA 9 H ALA 9 5.376 -0.321 1.380 54 HA ALA 9 HA ALA 9 3.800 -1.827 3.188 55 HB1 ALA 9 1HB ALA 9 5.509 -0.825 4.848 56 HB2 ALA 9 2HB ALA 9 6.146 0.060 3.461 57 HB3 ALA 9 3HB ALA 9 6.160 -1.703 3.463 58 H GLU 10 H GLU 10 3.938 1.654 2.630 59 HA GLU 10 HA GLU 10 2.386 2.274 5.055 60 HB2 GLU 10 2HB GLU 10 3.218 3.975 2.682 61 HB3 GLU 10 1HB GLU 10 2.666 4.570 4.248 62 HG2 GLU 10 2HG GLU 10 5.067 2.755 3.965 63 HG3 GLU 10 1HG GLU 10 5.199 4.516 3.906 64 H CYS 11 H CYS 11 1.809 2.014 1.554 65 HA CYS 11 HA CYS 11 -0.913 3.056 1.712 66 HB2 CYS 11 2HB CYS 11 0.397 1.389 -0.452 67 HB3 CYS 11 1HB CYS 11 -0.930 2.534 -0.642 68 H TYR 12 H TYR 12 0.593 -0.114 1.928 69 HA TYR 12 HA TYR 12 -1.352 -1.961 1.357 70 HB2 TYR 12 2HB TYR 12 0.522 -2.898 2.266 71 HB3 TYR 12 1HB TYR 12 0.750 -1.592 3.416 72 HD1 TYR 12 2HD TYR 12 -1.948 -4.130 2.745 73 HD2 TYR 12 1HD TYR 12 0.666 -2.306 5.624 74 HE1 TYR 12 2HE TYR 12 -2.951 -5.520 4.540 75 HE2 TYR 12 1HE TYR 12 -0.341 -3.689 7.416 76 HH TYR 12 HH TYR 12 -1.916 -5.157 7.933 77 H SER 13 H SER 13 -1.389 0.322 4.025 78 HA SER 13 HA SER 13 -3.547 -0.852 5.523 79 HB2 SER 13 2HB SER 13 -2.388 1.937 5.321 80 HB3 SER 13 1HB SER 13 -3.589 1.479 6.525 81 HG SER 13 HG SER 13 -2.010 0.659 7.623 82 H TRP 14 H TRP 14 -3.531 1.499 2.847 83 HA TRP 14 HA TRP 14 -6.355 2.169 3.160 84 HB2 TRP 14 2HB TRP 14 -4.966 3.805 2.167 85 HB3 TRP 14 1HB TRP 14 -4.188 2.626 1.107 86 HD1 TRP 14 HD TRP 14 -7.604 4.351 1.609 87 HE1 TRP 14 1HE TRP 14 -8.803 4.445 -0.673 88 HE3 TRP 14 3HE TRP 14 -4.282 1.723 -1.240 89 HZ2 TRP 14 2HZ TRP 14 -8.401 3.524 -3.356 90 HZ3 TRP 14 3HZ TRP 14 -4.711 1.345 -3.651 91 HH2 TRP 14 HH TRP 14 -6.765 2.241 -4.711 92 H CYS 15 H CYS 15 -4.623 0.466 0.525 93 HA CYS 15 HA CYS 15 -6.699 -0.496 -1.003 94 HB2 CYS 15 2HB CYS 15 -5.168 -2.537 -1.291 95 HB3 CYS 15 1HB CYS 15 -4.428 -0.959 -1.569 96 H ILE 16 H ILE 16 -5.944 -1.547 2.279 97 HA ILE 16 HA ILE 16 -7.433 -4.032 2.159 98 HB ILE 16 HB ILE 16 -6.571 -2.213 4.425 99 HG12 ILE 16 2HG1 ILE 16 -4.835 -3.273 2.865 100 HG13 ILE 16 1HG1 ILE 16 -4.654 -3.631 4.583 101 HG21 ILE 16 1HG2 ILE 16 -7.778 -3.544 5.783 102 HG22 ILE 16 2HG2 ILE 16 -6.790 -4.909 5.261 103 HG23 ILE 16 3HG2 ILE 16 -8.289 -4.530 4.412 104 HD11 ILE 16 3HD1 ILE 16 -6.375 -5.489 3.021 105 HD12 ILE 16 1HD1 ILE 16 -5.237 -5.834 4.324 106 HD13 ILE 16 2HD1 ILE 16 -4.644 -5.553 2.687 107 H LYS 17 H LYS 17 -8.339 -0.681 2.705 108 HA LYS 17 HA LYS 17 -10.806 -1.070 4.079 109 HB2 LYS 17 2HB LYS 17 -11.186 1.195 3.494 110 HB3 LYS 17 1HB LYS 17 -9.428 1.054 3.506 111 HG2 LYS 17 2HG LYS 17 -9.393 0.781 1.083 112 HG3 LYS 17 1HG LYS 17 -11.156 0.799 1.029 113 HD2 LYS 17 2HD LYS 17 -9.481 3.086 2.097 114 HD3 LYS 17 1HD LYS 17 -10.098 3.007 0.447 115 HE2 LYS 17 2HE LYS 17 -12.164 2.489 2.479 116 HE3 LYS 17 1HE LYS 17 -11.472 4.122 2.560 117 HZ1 LYS 17 3HZ LYS 17 -12.368 2.809 0.051 118 HZ2 LYS 17 1HZ LYS 17 -11.837 4.410 0.226 119 HZ3 LYS 17 2HZ LYS 17 -13.306 3.923 0.927 120 H GLN 18 H GLN 18 -9.896 -1.749 0.801 121 HA GLN 18 HA GLN 18 -12.312 -1.545 -0.640 122 HB2 GLN 18 2HB GLN 18 -9.987 -3.474 -0.639 123 HB3 GLN 18 1HB GLN 18 -11.286 -3.623 -1.817 124 HG2 GLN 18 2HG GLN 18 -9.152 -2.219 -2.391 125 HG3 GLN 18 1HG GLN 18 -10.739 -1.624 -2.878 126 HE21 GLN 18 1HE2 GLN 18 -11.500 0.331 -1.887 127 HE22 GLN 18 2HE2 GLN 18 -10.577 1.227 -0.781 128 H ASP 19 H ASP 19 -11.266 -3.847 1.752 129 HA ASP 19 HA ASP 19 -12.591 -5.296 3.102 130 HB2 ASP 19 2HB ASP 19 -14.839 -4.906 1.120 131 HB3 ASP 19 1HB ASP 19 -14.946 -5.331 2.828 132 H LEU 20 H LEU 20 -10.860 -6.116 0.924 133 HA LEU 20 HA LEU 20 -12.290 -8.429 -0.304 134 HB2 LEU 20 2HB LEU 20 -9.491 -7.304 -0.629 135 HB3 LEU 20 1HB LEU 20 -10.159 -8.615 -1.588 136 HG LEU 20 HG LEU 20 -10.499 -5.731 -1.874 137 HD11 LEU 20 1HD1 LEU 20 -10.164 -8.081 -3.441 138 HD12 LEU 20 2HD1 LEU 20 -10.113 -6.401 -3.976 139 HD13 LEU 20 3HD1 LEU 20 -11.639 -7.284 -3.989 140 HD21 LEU 20 3HD2 LEU 20 -12.955 -7.506 -1.776 141 HD22 LEU 20 1HD2 LEU 20 -12.915 -6.000 -2.693 142 HD23 LEU 20 2HD2 LEU 20 -12.697 -5.973 -0.944 143 H SER 21 H SER 21 -9.032 -7.984 1.053 144 HA SER 21 HA SER 21 -9.205 -9.679 3.304 145 HB2 SER 21 2HB SER 21 -8.106 -11.726 2.006 146 HB3 SER 21 1HB SER 21 -9.856 -11.532 2.059 147 HG SER 21 HG SER 21 -9.413 -11.746 -0.058 148 H LYS 22 H LYS 22 -7.091 -10.058 4.223 149 HA LYS 22 HA LYS 22 -5.066 -8.199 3.749 150 HB2 LYS 22 2HB LYS 22 -5.365 -10.846 5.032 151 HB3 LYS 22 1HB LYS 22 -3.703 -10.411 4.636 152 HG2 LYS 22 2HG LYS 22 -3.939 -8.294 5.843 153 HG3 LYS 22 1HG LYS 22 -5.630 -8.661 6.191 154 HD2 LYS 22 2HD LYS 22 -4.728 -9.471 8.139 155 HD3 LYS 22 1HD LYS 22 -4.500 -10.910 7.145 156 HE2 LYS 22 2HE LYS 22 -2.304 -10.713 7.771 157 HE3 LYS 22 1HE LYS 22 -2.245 -9.437 6.538 158 HZ1 LYS 22 3HZ LYS 22 -3.095 -8.989 9.348 159 HZ2 LYS 22 1HZ LYS 22 -2.837 -7.808 8.158 160 HZ3 LYS 22 2HZ LYS 22 -1.523 -8.686 8.780 161 H ASP 23 H ASP 23 -5.795 -11.087 1.930 162 HA ASP 23 HA ASP 23 -3.198 -11.202 0.570 163 HB2 ASP 23 2HB ASP 23 -4.455 -13.229 0.978 164 HB3 ASP 23 1HB ASP 23 -5.889 -12.552 0.205 165 H TRP 24 H TRP 24 -6.342 -9.738 0.038 166 HA TRP 24 HA TRP 24 -6.276 -9.298 -2.755 167 HB2 TRP 24 2HB TRP 24 -8.286 -8.686 -1.833 168 HB3 TRP 24 1HB TRP 24 -7.542 -8.143 -0.331 169 HD1 TRP 24 HD TRP 24 -8.130 -5.687 -0.025 170 HE1 TRP 24 1HE TRP 24 -8.117 -3.589 -1.522 171 HE3 TRP 24 3HE TRP 24 -6.861 -7.801 -4.479 172 HZ2 TRP 24 2HZ TRP 24 -7.631 -2.900 -4.255 173 HZ3 TRP 24 3HZ TRP 24 -6.625 -6.410 -6.519 174 HH2 TRP 24 HH TRP 24 -7.011 -3.962 -6.412 175 H CYS 25 H CYS 25 -5.096 -7.123 -0.152 176 HA CYS 25 HA CYS 25 -3.787 -5.380 -2.127 177 HB2 CYS 25 2HB CYS 25 -4.894 -4.500 -0.117 178 HB3 CYS 25 1HB CYS 25 -3.796 -5.435 0.906 179 H CYS 26 H CYS 26 -2.799 -7.832 0.256 180 HA CYS 26 HA CYS 26 -0.059 -7.460 0.455 181 HB2 CYS 26 2HB CYS 26 -1.169 -9.285 1.554 182 HB3 CYS 26 1HB CYS 26 -1.716 -9.959 0.019 183 H ASP 27 H ASP 27 -1.858 -8.734 -2.324 184 HA ASP 27 HA ASP 27 0.604 -9.196 -3.879 185 HB2 ASP 27 2HB ASP 27 -1.805 -10.386 -3.810 186 HB3 ASP 27 1HB ASP 27 -2.131 -9.201 -5.076 187 H PHE 28 H PHE 28 -1.906 -6.739 -3.545 188 HA PHE 28 HA PHE 28 -1.571 -5.340 -5.995 189 HB2 PHE 28 2HB PHE 28 -3.383 -4.715 -4.641 190 HB3 PHE 28 1HB PHE 28 -2.392 -4.655 -3.180 191 HD1 PHE 28 2HD PHE 28 -2.174 -3.077 -6.589 192 HD2 PHE 28 1HD PHE 28 -2.203 -2.502 -2.333 193 HE1 PHE 28 2HE PHE 28 -1.815 -0.644 -6.914 194 HE2 PHE 28 1HE PHE 28 -1.844 -0.073 -2.656 195 HZ PHE 28 HZ PHE 28 -1.650 0.858 -4.948 196 H VAL 29 H VAL 29 -0.147 -4.318 -2.848 197 HA VAL 29 HA VAL 29 1.727 -2.510 -3.961 198 HB VAL 29 HB VAL 29 1.555 -2.335 -1.652 199 HG11 VAL 29 1HG1 VAL 29 1.106 -5.233 -1.786 200 HG12 VAL 29 2HG1 VAL 29 0.417 -4.030 -0.691 201 HG13 VAL 29 3HG1 VAL 29 2.008 -4.717 -0.361 202 HG21 VAL 29 3HG2 VAL 29 3.938 -4.161 -2.053 203 HG22 VAL 29 1HG2 VAL 29 3.644 -3.216 -0.592 204 HG23 VAL 29 2HG2 VAL 29 3.933 -2.399 -2.129 205 H LYS 30 H LYS 30 1.868 -6.001 -3.522 206 HA LYS 30 HA LYS 30 4.629 -6.377 -4.268 207 HB2 LYS 30 2HB LYS 30 2.788 -7.901 -3.139 208 HB3 LYS 30 1HB LYS 30 2.416 -8.343 -4.806 209 HG2 LYS 30 2HG LYS 30 4.353 -9.515 -5.065 210 HG3 LYS 30 1HG LYS 30 5.292 -8.369 -4.106 211 HD2 LYS 30 2HD LYS 30 5.171 -10.461 -2.881 212 HD3 LYS 30 1HD LYS 30 4.171 -9.266 -2.049 213 HE2 LYS 30 2HE LYS 30 2.564 -10.899 -2.140 214 HE3 LYS 30 1HE LYS 30 2.366 -10.362 -3.820 215 HZ1 LYS 30 3HZ LYS 30 4.050 -12.573 -2.796 216 HZ2 LYS 30 1HZ LYS 30 4.301 -11.892 -4.329 217 HZ3 LYS 30 2HZ LYS 30 2.821 -12.646 -3.967 218 H ASP 31 H ASP 31 1.664 -5.845 -6.036 219 HA ASP 31 HA ASP 31 2.647 -6.803 -8.614 220 HB2 ASP 31 2HB ASP 31 0.241 -6.617 -7.675 221 HB3 ASP 31 1HB ASP 31 0.354 -4.906 -8.085 222 H ILE 32 H ILE 32 2.915 -3.874 -6.786 223 HA ILE 32 HA ILE 32 3.536 -2.234 -9.187 224 HB ILE 32 HB ILE 32 3.828 -1.234 -6.380 225 HG12 ILE 32 2HG1 ILE 32 1.182 -2.012 -7.652 226 HG13 ILE 32 1HG1 ILE 32 1.822 -2.548 -6.100 227 HG21 ILE 32 1HG2 ILE 32 4.147 0.282 -8.260 228 HG22 ILE 32 2HG2 ILE 32 2.665 0.725 -7.410 229 HG23 ILE 32 3HG2 ILE 32 2.578 -0.167 -8.928 230 HD11 ILE 32 3HD1 ILE 32 0.446 -0.036 -6.792 231 HD12 ILE 32 1HD1 ILE 32 1.883 0.170 -5.790 232 HD13 ILE 32 2HD1 ILE 32 0.565 -0.865 -5.239 233 H ARG 33 H ARG 33 5.226 -4.496 -7.694 234 HA ARG 33 HA ARG 33 7.543 -4.892 -7.430 235 HB2 ARG 33 2HB ARG 33 7.146 -3.099 -9.540 236 HB3 ARG 33 1HB ARG 33 8.404 -2.342 -8.563 237 HG2 ARG 33 2HG ARG 33 9.573 -4.609 -8.548 238 HG3 ARG 33 1HG ARG 33 8.429 -5.103 -9.796 239 HD2 ARG 33 2HD ARG 33 9.172 -3.214 -11.224 240 HD3 ARG 33 1HD ARG 33 10.348 -2.752 -9.977 241 HE ARG 33 HE ARG 33 10.890 -5.422 -10.362 242 HH11 ARG 33 1HH2 ARG 33 10.513 -2.694 -12.447 243 HH12 ARG 33 2HH2 ARG 33 11.622 -3.288 -13.636 244 HH21 ARG 33 1HH1 ARG 33 12.335 -6.207 -11.906 245 HH22 ARG 33 2HH1 ARG 33 12.652 -5.276 -13.331 246 H MET 34 H MET 34 5.866 -3.063 -5.573 247 HA MET 34 HA MET 34 7.647 -1.086 -4.460 248 HB2 MET 34 2HB MET 34 5.167 -2.558 -3.566 249 HB3 MET 34 1HB MET 34 5.963 -1.386 -2.513 250 HG2 MET 34 2HG MET 34 5.351 -0.613 -5.346 251 HG3 MET 34 1HG MET 34 4.047 -0.603 -4.154 252 HE1 MET 34 3HE MET 34 4.227 1.535 -5.466 253 HE2 MET 34 1HE MET 34 5.761 2.400 -5.630 254 HE3 MET 34 2HE MET 34 4.546 2.964 -4.485 255 H ASN 35 H ASN 35 7.809 -1.560 -1.775 256 HA ASN 35 HA ASN 35 9.685 -3.880 -1.652 257 HB2 ASN 35 2HB ASN 35 9.738 -1.190 -0.815 258 HB3 ASN 35 1HB ASN 35 9.596 -2.135 0.668 259 HD21 ASN 35 1HD2 ASN 35 11.707 -2.277 1.474 260 HD22 ASN 35 2HD2 ASN 35 13.058 -2.773 0.557 261 HA PRO 36 HA PRO 36 6.264 -5.722 0.641 262 HB2 PRO 36 2HB PRO 36 7.241 -8.266 0.502 263 HB3 PRO 36 1HB PRO 36 6.329 -7.508 -0.820 264 HG2 PRO 36 2HG PRO 36 9.256 -7.927 -0.533 265 HG3 PRO 36 1HG PRO 36 8.243 -7.991 -1.982 266 HD2 PRO 36 2HD PRO 36 9.849 -5.867 -1.321 267 HD3 PRO 36 1HD PRO 36 8.404 -5.746 -2.350 268 HA PRO 37 HA PRO 37 8.871 -5.746 4.288 269 HB2 PRO 37 2HB PRO 37 6.878 -5.123 6.052 270 HB3 PRO 37 1HB PRO 37 7.694 -3.906 5.053 271 HG2 PRO 37 2HG PRO 37 5.013 -5.109 4.746 272 HG3 PRO 37 1HG PRO 37 5.590 -3.501 4.292 273 HD2 PRO 37 2HD PRO 37 5.206 -5.657 2.554 274 HD3 PRO 37 1HD PRO 37 6.128 -4.180 2.200 275 H ALA 38 H ALA 38 9.334 -7.581 5.465 276 HA ALA 38 HA ALA 38 7.765 -9.971 5.264 277 HB1 ALA 38 1HB ALA 38 9.583 -9.727 7.565 278 HB2 ALA 38 2HB ALA 38 10.305 -9.211 6.041 279 HB3 ALA 38 3HB ALA 38 9.650 -10.841 6.199 280 H ASP 39 H ASP 39 7.306 -7.211 7.196 281 HA ASP 39 HA ASP 39 6.245 -8.481 9.585 282 HB2 ASP 39 2HB ASP 39 7.194 -6.151 9.336 283 HB3 ASP 39 1HB ASP 39 5.736 -5.716 8.443 284 H LYS 40 H LYS 40 4.987 -7.725 6.428 285 HA LYS 40 HA LYS 40 2.199 -8.286 7.373 286 HB2 LYS 40 2HB LYS 40 3.123 -7.034 4.775 287 HB3 LYS 40 1HB LYS 40 1.511 -6.967 5.487 288 HG2 LYS 40 2HG LYS 40 2.791 -5.873 7.521 289 HG3 LYS 40 1HG LYS 40 3.997 -5.496 6.289 290 HD2 LYS 40 2HD LYS 40 1.226 -4.944 5.469 291 HD3 LYS 40 1HD LYS 40 1.782 -3.966 6.827 292 HE2 LYS 40 2HE LYS 40 2.483 -2.685 4.980 293 HE3 LYS 40 1HE LYS 40 3.937 -3.642 5.326 294 HZ1 LYS 40 3HZ LYS 40 2.871 -3.640 2.939 295 HZ2 LYS 40 1HZ LYS 40 1.866 -4.823 3.623 296 HZ3 LYS 40 2HZ LYS 40 3.549 -5.054 3.594 297 H CYS 41 H CYS 41 4.021 -8.684 4.309 298 HA CYS 41 HA CYS 41 2.905 -11.469 4.141 299 HB2 CYS 41 2HB CYS 41 2.943 -9.144 2.326 300 HB3 CYS 41 1HB CYS 41 3.414 -10.663 1.558 301 HA PRO 42 HA PRO 42 7.364 -12.168 4.132 302 HB2 PRO 42 2HB PRO 42 7.177 -14.853 4.628 303 HB3 PRO 42 1HB PRO 42 7.056 -13.625 5.903 304 HG2 PRO 42 2HG PRO 42 4.900 -15.150 4.531 305 HG3 PRO 42 1HG PRO 42 5.037 -14.663 6.227 306 HD2 PRO 42 2HD PRO 42 3.461 -13.375 4.405 307 HD3 PRO 42 1HD PRO 42 4.159 -12.587 5.841
Contact the webmaster for help, if required. Thursday, May 23, 2024 4:20:49 PM GMT (wattos1)