NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614218 | 1cqu | 4551 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -9.405 8.583 -2.433 2 2H MET 1 2H MET 1 -9.397 7.519 -3.757 3 3H MET 1 3H MET 1 -8.280 8.795 -3.685 4 HA MET 1 HA MET 1 -7.185 7.787 -1.788 5 1HB MET 1 2HB MET 1 -9.547 6.801 -1.140 6 2HB MET 1 1HB MET 1 -9.052 5.432 -2.148 7 1HG MET 1 2HG MET 1 -7.832 4.638 -0.455 8 2HG MET 1 1HG MET 1 -6.832 6.089 -0.512 9 1HE MET 1 1HE MET 1 -7.303 5.920 3.218 10 2HE MET 1 2HE MET 1 -6.234 5.938 1.817 11 3HE MET 1 3HE MET 1 -7.197 4.505 2.160 12 H LYS 2 H LYS 2 -5.878 7.931 -3.965 13 HA LYS 2 HA LYS 2 -5.879 5.902 -5.926 14 1HB LYS 2 2HB LYS 2 -3.832 7.689 -4.677 15 2HB LYS 2 1HB LYS 2 -3.250 6.366 -5.687 16 1HG LYS 2 2HG LYS 2 -5.438 7.548 -7.046 17 2HG LYS 2 1HG LYS 2 -4.388 8.861 -6.512 18 1HD LYS 2 2HD LYS 2 -3.053 8.383 -8.267 19 2HD LYS 2 1HD LYS 2 -2.636 6.881 -7.440 20 1HE LYS 2 2HE LYS 2 -3.825 5.639 -8.918 21 2HE LYS 2 1HE LYS 2 -5.228 6.719 -8.807 22 1HZ LYS 2 1HZ LYS 2 -2.730 7.299 -10.312 23 2HZ LYS 2 2HZ LYS 2 -4.092 8.308 -10.214 24 3HZ LYS 2 3HZ LYS 2 -4.194 6.811 -11.014 25 H VAL 3 H VAL 3 -4.784 3.772 -5.932 26 HA VAL 3 HA VAL 3 -4.156 2.898 -3.166 27 HB VAL 3 HB VAL 3 -6.064 2.018 -5.261 28 1HG1 VAL 3 1HG1 VAL 3 -4.768 0.024 -4.827 29 2HG1 VAL 3 2HG1 VAL 3 -6.363 -0.126 -4.087 30 3HG1 VAL 3 3HG1 VAL 3 -4.957 0.241 -3.089 31 1HG2 VAL 3 1HG2 VAL 3 -7.491 2.728 -3.704 32 2HG2 VAL 3 2HG2 VAL 3 -6.097 3.362 -2.841 33 3HG2 VAL 3 3HG2 VAL 3 -6.717 1.754 -2.457 34 H ILE 4 H ILE 4 -2.392 1.782 -2.884 35 HA ILE 4 HA ILE 4 -0.811 0.777 -5.176 36 HB ILE 4 HB ILE 4 -0.512 1.675 -2.334 37 1HG1 ILE 4 2HG1 ILE 4 0.193 2.632 -4.849 38 2HG1 ILE 4 1HG1 ILE 4 0.789 3.252 -3.314 39 1HG2 ILE 4 1HG2 ILE 4 1.018 -0.579 -3.524 40 2HG2 ILE 4 2HG2 ILE 4 0.492 -0.320 -1.864 41 3HG2 ILE 4 3HG2 ILE 4 1.872 0.570 -2.495 42 1HD1 ILE 4 1HD1 ILE 4 2.653 1.576 -3.436 43 2HD1 ILE 4 2HD1 ILE 4 2.693 2.774 -4.728 44 3HD1 ILE 4 3HD1 ILE 4 2.096 1.146 -5.053 45 H PHE 5 H PHE 5 -2.182 -1.220 -5.546 46 HA PHE 5 HA PHE 5 -2.843 -2.974 -3.347 47 1HB PHE 5 2HB PHE 5 -2.576 -3.193 -6.313 48 2HB PHE 5 1HB PHE 5 -2.619 -4.681 -5.383 49 HD1 PHE 5 HD1 PHE 5 -4.638 -5.417 -4.256 50 HD2 PHE 5 HD2 PHE 5 -4.543 -1.638 -6.306 51 HE1 PHE 5 HE1 PHE 5 -7.106 -5.294 -4.144 52 HE2 PHE 5 HE2 PHE 5 -7.014 -1.523 -6.189 53 HZ PHE 5 HZ PHE 5 -8.289 -3.355 -5.123 54 H LEU 6 H LEU 6 -1.370 -4.109 -2.162 55 HA LEU 6 HA LEU 6 1.448 -4.136 -2.928 56 1HB LEU 6 2HB LEU 6 1.634 -5.412 -0.766 57 2HB LEU 6 1HB LEU 6 0.760 -3.890 -0.595 58 HG LEU 6 HG LEU 6 -1.122 -5.917 -1.323 59 1HD1 LEU 6 1HD1 LEU 6 -0.648 -7.724 -0.036 60 2HD1 LEU 6 2HD1 LEU 6 -0.080 -6.728 1.302 61 3HD1 LEU 6 3HD1 LEU 6 1.005 -7.110 -0.035 62 1HD2 LEU 6 1HD2 LEU 6 -1.549 -3.828 -0.032 63 2HD2 LEU 6 2HD2 LEU 6 -0.636 -4.500 1.319 64 3HD2 LEU 6 3HD2 LEU 6 -2.145 -5.260 0.811 65 H LYS 7 H LYS 7 -1.302 -6.233 -3.160 66 HA LYS 7 HA LYS 7 0.411 -8.280 -4.523 67 1HB LYS 7 2HB LYS 7 -1.502 -8.534 -2.248 68 2HB LYS 7 1HB LYS 7 -1.512 -9.824 -3.449 69 1HG LYS 7 2HG LYS 7 0.576 -10.548 -2.892 70 2HG LYS 7 1HG LYS 7 1.159 -8.923 -2.536 71 1HD LYS 7 2HD LYS 7 0.807 -9.246 -0.336 72 2HD LYS 7 1HD LYS 7 -0.890 -9.617 -0.641 73 1HE LYS 7 2HE LYS 7 1.204 -11.713 -1.193 74 2HE LYS 7 1HE LYS 7 0.610 -11.465 0.461 75 1HZ LYS 7 1HZ LYS 7 -0.775 -13.057 -0.750 76 2HZ LYS 7 2HZ LYS 7 -1.102 -11.881 -1.934 77 3HZ LYS 7 3HZ LYS 7 -1.652 -11.663 -0.341 78 H ASP 8 H ASP 8 -0.961 -9.682 -5.971 79 HA ASP 8 HA ASP 8 -2.704 -7.990 -7.570 80 1HB ASP 8 2HB ASP 8 -1.135 -9.906 -8.292 81 2HB ASP 8 1HB ASP 8 -2.406 -10.997 -7.735 82 H VAL 9 H VAL 9 -4.991 -8.753 -8.114 83 HA VAL 9 HA VAL 9 -6.305 -9.945 -5.693 84 HB VAL 9 HB VAL 9 -7.589 -7.922 -7.536 85 1HG1 VAL 9 1HG1 VAL 9 -8.367 -9.360 -5.212 86 2HG1 VAL 9 2HG1 VAL 9 -9.272 -8.102 -6.053 87 3HG1 VAL 9 3HG1 VAL 9 -8.184 -7.672 -4.732 88 1HG2 VAL 9 1HG2 VAL 9 -6.516 -6.813 -5.050 89 2HG2 VAL 9 2HG2 VAL 9 -6.414 -6.179 -6.689 90 3HG2 VAL 9 3HG2 VAL 9 -5.239 -7.362 -6.128 91 H LYS 10 H LYS 10 -8.889 -9.665 -7.343 92 HA LYS 10 HA LYS 10 -8.842 -12.313 -8.508 93 1HB LYS 10 2HB LYS 10 -10.701 -10.644 -7.479 94 2HB LYS 10 1HB LYS 10 -10.949 -10.323 -9.196 95 1HG LYS 10 2HG LYS 10 -12.194 -12.200 -9.268 96 2HG LYS 10 1HG LYS 10 -10.701 -13.109 -9.023 97 1HD LYS 10 2HD LYS 10 -11.340 -12.221 -6.467 98 2HD LYS 10 1HD LYS 10 -12.907 -12.632 -7.164 99 1HE LYS 10 2HE LYS 10 -10.486 -14.470 -7.176 100 2HE LYS 10 1HE LYS 10 -11.863 -14.607 -6.064 101 1HZ LYS 10 1HZ LYS 10 -11.927 -14.768 -9.029 102 2HZ LYS 10 2HZ LYS 10 -13.320 -14.640 -8.065 103 3HZ LYS 10 3HZ LYS 10 -12.310 -16.000 -7.929 104 H GLY 11 H GLY 11 -6.785 -11.177 -9.820 105 1HA GLY 11 2HA GLY 11 -5.987 -10.879 -12.007 106 2HA GLY 11 1HA GLY 11 -7.617 -11.222 -12.587 107 H LYS 12 H LYS 12 -7.235 -8.719 -10.220 108 HA LYS 12 HA LYS 12 -7.660 -6.675 -12.377 109 1HB LYS 12 2HB LYS 12 -9.306 -7.483 -10.264 110 2HB LYS 12 1HB LYS 12 -8.586 -5.973 -9.700 111 1HG LYS 12 2HG LYS 12 -9.190 -5.027 -12.020 112 2HG LYS 12 1HG LYS 12 -10.222 -6.446 -12.193 113 1HD LYS 12 2HD LYS 12 -11.798 -5.555 -10.853 114 2HD LYS 12 1HD LYS 12 -10.610 -5.191 -9.602 115 1HE LYS 12 2HE LYS 12 -10.924 -3.486 -12.090 116 2HE LYS 12 1HE LYS 12 -11.782 -3.149 -10.573 117 1HZ LYS 12 1HZ LYS 12 -9.875 -2.047 -10.107 118 2HZ LYS 12 2HZ LYS 12 -8.933 -2.981 -11.167 119 3HZ LYS 12 3HZ LYS 12 -9.352 -3.589 -9.637 120 H GLY 13 H GLY 13 -6.797 -6.641 -8.889 121 1HA GLY 13 2HA GLY 13 -5.046 -4.372 -9.234 122 2HA GLY 13 1HA GLY 13 -5.163 -5.356 -7.778 123 H LYS 14 H LYS 14 -2.660 -4.534 -8.583 124 HA LYS 14 HA LYS 14 -1.399 -7.112 -9.374 125 1HB LYS 14 2HB LYS 14 -1.047 -4.360 -10.592 126 2HB LYS 14 1HB LYS 14 0.125 -5.655 -10.832 127 1HG LYS 14 2HG LYS 14 -2.050 -7.034 -11.491 128 2HG LYS 14 1HG LYS 14 -2.677 -5.425 -11.852 129 1HD LYS 14 2HD LYS 14 0.038 -5.787 -12.853 130 2HD LYS 14 1HD LYS 14 -1.077 -6.974 -13.530 131 1HE LYS 14 2HE LYS 14 -2.647 -4.861 -13.850 132 2HE LYS 14 1HE LYS 14 -1.105 -3.985 -13.805 133 1HZ LYS 14 1HZ LYS 14 -0.897 -4.614 -15.930 134 2HZ LYS 14 2HZ LYS 14 -2.125 -5.780 -15.811 135 3HZ LYS 14 3HZ LYS 14 -0.542 -6.158 -15.326 136 H LYS 15 H LYS 15 0.738 -7.321 -8.502 137 HA LYS 15 HA LYS 15 1.400 -6.594 -5.994 138 1HB LYS 15 2HB LYS 15 3.738 -6.850 -6.676 139 2HB LYS 15 1HB LYS 15 2.735 -7.962 -7.607 140 1HG LYS 15 2HG LYS 15 3.528 -5.213 -8.601 141 2HG LYS 15 1HG LYS 15 4.434 -6.676 -8.977 142 1HD LYS 15 2HD LYS 15 2.110 -7.610 -9.748 143 2HD LYS 15 1HD LYS 15 1.651 -5.903 -9.841 144 1HE LYS 15 2HE LYS 15 4.137 -7.038 -11.185 145 2HE LYS 15 1HE LYS 15 2.578 -6.840 -12.013 146 1HZ LYS 15 1HZ LYS 15 4.230 -4.889 -12.074 147 2HZ LYS 15 2HZ LYS 15 3.760 -4.623 -10.462 148 3HZ LYS 15 3HZ LYS 15 2.608 -4.553 -11.708 149 H GLY 16 H GLY 16 1.997 -4.796 -4.862 150 1HA GLY 16 2HA GLY 16 1.705 -2.419 -4.524 151 2HA GLY 16 1HA GLY 16 3.334 -2.529 -5.144 152 H GLU 17 H GLU 17 0.165 -2.816 -6.855 153 HA GLU 17 HA GLU 17 1.235 -0.890 -8.844 154 1HB GLU 17 2HB GLU 17 -0.224 -1.907 -10.291 155 2HB GLU 17 1HB GLU 17 -0.222 -3.178 -9.077 156 1HG GLU 17 2HG GLU 17 -2.301 -2.473 -8.175 157 2HG GLU 17 1HG GLU 17 -2.204 -0.896 -8.958 158 H ILE 18 H ILE 18 0.674 1.249 -8.789 159 HA ILE 18 HA ILE 18 -1.307 2.121 -6.727 160 HB ILE 18 HB ILE 18 0.475 3.762 -8.546 161 1HG1 ILE 18 2HG1 ILE 18 1.575 3.568 -5.948 162 2HG1 ILE 18 1HG1 ILE 18 1.230 1.923 -6.480 163 1HG2 ILE 18 1HG2 ILE 18 -0.057 4.654 -5.813 164 2HG2 ILE 18 2HG2 ILE 18 -1.529 4.454 -6.763 165 3HG2 ILE 18 3HG2 ILE 18 -0.251 5.528 -7.333 166 1HD1 ILE 18 1HD1 ILE 18 3.525 2.855 -7.129 167 2HD1 ILE 18 2HD1 ILE 18 2.662 3.916 -8.244 168 3HD1 ILE 18 3HD1 ILE 18 2.567 2.165 -8.440 169 H LYS 19 H LYS 19 -3.262 2.359 -7.356 170 HA LYS 19 HA LYS 19 -4.054 3.962 -9.661 171 1HB LYS 19 2HB LYS 19 -3.671 1.434 -10.337 172 2HB LYS 19 1HB LYS 19 -5.191 1.182 -9.480 173 1HG LYS 19 2HG LYS 19 -5.262 3.472 -11.311 174 2HG LYS 19 1HG LYS 19 -4.972 1.935 -12.128 175 1HD LYS 19 2HD LYS 19 -7.142 2.156 -10.054 176 2HD LYS 19 1HD LYS 19 -7.439 2.683 -11.710 177 1HE LYS 19 2HE LYS 19 -6.387 0.326 -12.323 178 2HE LYS 19 1HE LYS 19 -6.909 -0.086 -10.677 179 1HZ LYS 19 1HZ LYS 19 -8.588 1.101 -12.823 180 2HZ LYS 19 2HZ LYS 19 -9.098 0.874 -11.221 181 3HZ LYS 19 3HZ LYS 19 -8.723 -0.467 -12.194 182 H ASN 20 H ASN 20 -6.324 4.564 -9.263 183 HA ASN 20 HA ASN 20 -6.975 4.172 -6.413 184 1HB ASN 20 2HB ASN 20 -8.483 5.975 -6.676 185 2HB ASN 20 1HB ASN 20 -7.146 6.388 -7.761 186 1HD2 ASN 20 1HD2 ASN 20 -10.463 5.051 -7.701 187 2HD2 ASN 20 2HD2 ASN 20 -10.801 5.375 -9.334 188 H VAL 21 H VAL 21 -8.236 2.717 -5.746 189 HA VAL 21 HA VAL 21 -9.820 1.006 -7.550 190 HB VAL 21 HB VAL 21 -8.291 0.508 -5.466 191 1HG1 VAL 21 1HG1 VAL 21 -8.943 1.043 -3.405 192 2HG1 VAL 21 2HG1 VAL 21 -10.645 0.760 -3.762 193 3HG1 VAL 21 3HG1 VAL 21 -9.883 2.281 -4.235 194 1HG2 VAL 21 1HG2 VAL 21 -10.898 -0.712 -6.083 195 2HG2 VAL 21 2HG2 VAL 21 -10.072 -1.194 -4.600 196 3HG2 VAL 21 3HG2 VAL 21 -9.276 -1.405 -6.158 197 H ALA 22 H ALA 22 -11.789 0.816 -5.214 198 HA ALA 22 HA ALA 22 -13.421 3.144 -6.004 199 1HB ALA 22 1HB ALA 22 -13.808 0.633 -4.725 200 2HB ALA 22 2HB ALA 22 -15.044 1.815 -5.147 201 3HB ALA 22 3HB ALA 22 -14.277 1.871 -3.564 202 H ASP 23 H ASP 23 -12.688 5.091 -5.236 203 HA ASP 23 HA ASP 23 -10.716 5.814 -3.597 204 1HB ASP 23 2HB ASP 23 -13.336 6.841 -4.355 205 2HB ASP 23 1HB ASP 23 -12.854 7.455 -2.786 206 H GLY 24 H GLY 24 -13.769 4.438 -2.379 207 1HA GLY 24 2HA GLY 24 -12.742 4.805 0.394 208 2HA GLY 24 1HA GLY 24 -14.399 4.354 -0.022 209 H TYR 25 H TYR 25 -13.673 2.361 -1.966 210 HA TYR 25 HA TYR 25 -13.514 -0.074 -0.546 211 1HB TYR 25 2HB TYR 25 -14.030 0.067 -2.906 212 2HB TYR 25 1HB TYR 25 -12.553 0.955 -3.221 213 HD1 TYR 25 HD1 TYR 25 -12.896 -0.948 -5.101 214 HD2 TYR 25 HD2 TYR 25 -11.491 -1.636 -1.109 215 HE1 TYR 25 HE1 TYR 25 -11.809 -3.039 -5.842 216 HE2 TYR 25 HE2 TYR 25 -10.432 -3.701 -1.861 217 HH TYR 25 HH TYR 25 -11.118 -5.226 -4.729 218 H ALA 26 H ALA 26 -11.023 1.715 -2.222 219 HA ALA 26 HA ALA 26 -8.607 0.580 -1.663 220 1HB ALA 26 1HB ALA 26 -9.443 3.459 -1.043 221 2HB ALA 26 2HB ALA 26 -9.001 2.851 -2.636 222 3HB ALA 26 3HB ALA 26 -7.787 2.942 -1.357 223 H ASN 27 H ASN 27 -10.067 2.773 0.788 224 HA ASN 27 HA ASN 27 -8.329 1.645 2.862 225 1HB ASN 27 2HB ASN 27 -8.955 4.069 2.503 226 2HB ASN 27 1HB ASN 27 -10.563 3.655 3.090 227 1HD2 ASN 27 1HD2 ASN 27 -10.887 3.778 5.244 228 2HD2 ASN 27 2HD2 ASN 27 -9.670 3.798 6.411 229 H ASN 28 H ASN 28 -11.491 0.824 1.748 230 HA ASN 28 HA ASN 28 -12.266 -0.172 4.458 231 1HB ASN 28 2HB ASN 28 -13.691 0.315 1.840 232 2HB ASN 28 1HB ASN 28 -14.459 -0.573 3.156 233 1HD2 ASN 28 1HD2 ASN 28 -15.544 0.701 4.672 234 2HD2 ASN 28 2HD2 ASN 28 -15.276 2.360 4.916 235 H PHE 29 H PHE 29 -10.386 -1.437 2.146 236 HA PHE 29 HA PHE 29 -11.195 -4.202 2.797 237 1HB PHE 29 2HB PHE 29 -12.742 -3.692 0.997 238 2HB PHE 29 1HB PHE 29 -11.482 -2.917 0.079 239 HD1 PHE 29 HD1 PHE 29 -12.547 -4.482 -1.701 240 HD2 PHE 29 HD2 PHE 29 -10.189 -5.889 1.585 241 HE1 PHE 29 HE1 PHE 29 -11.980 -6.514 -2.977 242 HE2 PHE 29 HE2 PHE 29 -9.602 -7.906 0.315 243 HZ PHE 29 HZ PHE 29 -10.517 -8.250 -1.967 244 H LEU 30 H LEU 30 -9.249 -2.346 0.438 245 HA LEU 30 HA LEU 30 -7.211 -4.421 0.290 246 1HB LEU 30 2HB LEU 30 -7.038 -1.538 -0.661 247 2HB LEU 30 1HB LEU 30 -6.242 -2.954 -1.361 248 HG LEU 30 HG LEU 30 -9.196 -2.691 -1.132 249 1HD1 LEU 30 1HD1 LEU 30 -7.367 -1.642 -3.241 250 2HD1 LEU 30 2HD1 LEU 30 -8.880 -0.966 -2.632 251 3HD1 LEU 30 3HD1 LEU 30 -8.909 -2.329 -3.745 252 1HD2 LEU 30 1HD2 LEU 30 -7.346 -4.698 -2.236 253 2HD2 LEU 30 2HD2 LEU 30 -8.672 -4.278 -3.316 254 3HD2 LEU 30 3HD2 LEU 30 -9.015 -4.891 -1.700 255 H PHE 31 H PHE 31 -7.627 -1.404 1.871 256 HA PHE 31 HA PHE 31 -4.897 -1.293 2.918 257 1HB PHE 31 2HB PHE 31 -7.484 0.162 3.357 258 2HB PHE 31 1HB PHE 31 -5.932 0.695 3.966 259 HD1 PHE 31 HD1 PHE 31 -5.327 -0.942 0.829 260 HD2 PHE 31 HD2 PHE 31 -6.870 2.700 2.516 261 HE1 PHE 31 HE1 PHE 31 -4.815 0.296 -1.259 262 HE2 PHE 31 HE2 PHE 31 -6.360 3.902 0.436 263 HZ PHE 31 HZ PHE 31 -5.320 2.700 -1.437 264 H LYS 32 H LYS 32 -8.165 -1.688 4.348 265 HA LYS 32 HA LYS 32 -7.209 -2.127 7.036 266 1HB LYS 32 2HB LYS 32 -9.672 -1.917 5.529 267 2HB LYS 32 1HB LYS 32 -9.784 -3.224 6.704 268 1HG LYS 32 2HG LYS 32 -9.515 -1.805 8.518 269 2HG LYS 32 1HG LYS 32 -8.616 -0.611 7.581 270 1HD LYS 32 2HD LYS 32 -10.524 0.549 7.311 271 2HD LYS 32 1HD LYS 32 -11.163 -0.799 6.370 272 1HE LYS 32 2HE LYS 32 -12.584 -0.122 8.380 273 2HE LYS 32 1HE LYS 32 -12.097 -1.830 8.362 274 1HZ LYS 32 1HZ LYS 32 -11.631 -0.233 10.426 275 2HZ LYS 32 2HZ LYS 32 -10.214 0.055 9.536 276 3HZ LYS 32 3HZ LYS 32 -10.612 -1.525 10.020 277 H GLN 33 H GLN 33 -6.679 -4.123 4.475 278 HA GLN 33 HA GLN 33 -6.875 -6.561 6.214 279 1HB GLN 33 2HB GLN 33 -7.658 -6.156 3.322 280 2HB GLN 33 1HB GLN 33 -7.473 -7.753 4.046 281 1HG GLN 33 2HG GLN 33 -9.257 -5.616 5.229 282 2HG GLN 33 1HG GLN 33 -9.840 -6.824 4.082 283 1HE2 GLN 33 1HE2 GLN 33 -10.610 -6.564 6.953 284 2HE2 GLN 33 2HE2 GLN 33 -10.179 -8.032 7.685 285 H GLY 34 H GLY 34 -5.805 -6.681 2.887 286 1HA GLY 34 2HA GLY 34 -3.002 -6.239 3.379 287 2HA GLY 34 1HA GLY 34 -3.366 -7.963 3.430 288 H LEU 35 H LEU 35 -4.816 -5.452 1.365 289 HA LEU 35 HA LEU 35 -3.860 -7.017 -1.013 290 1HB LEU 35 2HB LEU 35 -6.174 -5.080 -0.837 291 2HB LEU 35 1HB LEU 35 -5.842 -6.221 -2.125 292 HG LEU 35 HG LEU 35 -6.001 -7.949 -0.084 293 1HD1 LEU 35 1HD1 LEU 35 -8.193 -6.052 0.667 294 2HD1 LEU 35 2HD1 LEU 35 -6.593 -5.813 1.362 295 3HD1 LEU 35 3HD1 LEU 35 -7.448 -7.329 1.627 296 1HD2 LEU 35 1HD2 LEU 35 -8.415 -6.764 -1.476 297 2HD2 LEU 35 2HD2 LEU 35 -8.253 -8.413 -0.872 298 3HD2 LEU 35 3HD2 LEU 35 -7.283 -7.875 -2.243 299 H ALA 36 H ALA 36 -4.561 -3.754 0.220 300 HA ALA 36 HA ALA 36 -2.322 -2.644 -1.428 301 1HB ALA 36 1HB ALA 36 -4.580 -2.592 -2.620 302 2HB ALA 36 2HB ALA 36 -3.798 -1.024 -2.413 303 3HB ALA 36 3HB ALA 36 -5.118 -1.498 -1.346 304 H ILE 37 H ILE 37 -2.308 -0.144 -1.005 305 HA ILE 37 HA ILE 37 -3.135 0.512 1.794 306 HB ILE 37 HB ILE 37 -0.955 1.397 2.314 307 1HG1 ILE 37 2HG1 ILE 37 -0.276 0.724 -0.559 308 2HG1 ILE 37 1HG1 ILE 37 -0.416 2.338 0.129 309 1HG2 ILE 37 1HG2 ILE 37 -0.872 -1.330 1.028 310 2HG2 ILE 37 2HG2 ILE 37 -1.080 -0.942 2.735 311 3HG2 ILE 37 3HG2 ILE 37 0.476 -0.669 1.953 312 1HD1 ILE 37 1HD1 ILE 37 1.377 1.193 1.846 313 2HD1 ILE 37 2HD1 ILE 37 1.829 2.159 0.441 314 3HD1 ILE 37 3HD1 ILE 37 1.802 0.399 0.329 315 H GLU 38 H GLU 38 -3.322 2.796 2.112 316 HA GLU 38 HA GLU 38 -4.521 4.248 -0.014 317 1HB GLU 38 2HB GLU 38 -4.195 6.187 1.559 318 2HB GLU 38 1HB GLU 38 -4.889 4.762 2.332 319 1HG GLU 38 2HG GLU 38 -2.694 4.125 3.206 320 2HG GLU 38 1HG GLU 38 -1.945 5.478 2.365 321 H ALA 39 H ALA 39 -3.448 4.668 -1.907 322 HA ALA 39 HA ALA 39 -0.649 4.917 -2.241 323 1HB ALA 39 1HB ALA 39 -1.224 6.196 -4.277 324 2HB ALA 39 2HB ALA 39 -2.836 6.494 -3.634 325 3HB ALA 39 3HB ALA 39 -2.349 4.856 -4.059 326 H THR 40 H THR 40 0.683 6.227 -1.071 327 HA THR 40 HA THR 40 0.016 9.125 -0.850 328 HB THR 40 HB THR 40 -0.690 8.542 1.281 329 HG1 THR 40 HG1 THR 40 1.142 8.795 2.708 330 1HG2 THR 40 1HG2 THR 40 1.354 6.626 2.121 331 2HG2 THR 40 2HG2 THR 40 0.447 6.046 0.731 332 3HG2 THR 40 3HG2 THR 40 -0.398 6.490 2.207 333 HA PRO 41 HA PRO 41 4.174 9.648 -2.042 334 1HB PRO 41 2HB PRO 41 5.023 11.629 -0.345 335 2HB PRO 41 1HB PRO 41 4.002 11.950 -1.762 336 1HG PRO 41 2HG PRO 41 3.239 11.717 1.105 337 2HG PRO 41 1HG PRO 41 2.646 12.835 -0.134 338 1HD PRO 41 2HD PRO 41 1.266 10.633 0.666 339 2HD PRO 41 1HD PRO 41 1.133 11.320 -0.960 340 H ALA 42 H ALA 42 3.653 9.868 1.495 341 HA ALA 42 HA ALA 42 5.998 8.998 2.596 342 1HB ALA 42 1HB ALA 42 4.011 9.417 3.904 343 2HB ALA 42 2HB ALA 42 4.501 7.755 4.230 344 3HB ALA 42 3HB ALA 42 3.159 8.079 3.133 345 H ASN 43 H ASN 43 3.629 6.860 0.957 346 HA ASN 43 HA ASN 43 5.551 4.583 1.202 347 1HB ASN 43 2HB ASN 43 2.641 4.994 1.038 348 2HB ASN 43 1HB ASN 43 3.219 3.653 0.048 349 1HD2 ASN 43 1HD2 ASN 43 1.897 4.050 2.953 350 2HD2 ASN 43 2HD2 ASN 43 2.767 2.913 3.879 351 H LEU 44 H LEU 44 3.491 6.106 -1.315 352 HA LEU 44 HA LEU 44 4.131 4.759 -3.601 353 1HB LEU 44 2HB LEU 44 4.176 7.775 -3.200 354 2HB LEU 44 1HB LEU 44 3.970 6.968 -4.751 355 HG LEU 44 HG LEU 44 2.098 6.439 -2.429 356 1HD1 LEU 44 1HD1 LEU 44 0.592 8.113 -3.356 357 2HD1 LEU 44 2HD1 LEU 44 1.739 8.475 -4.646 358 3HD1 LEU 44 3HD1 LEU 44 2.133 8.880 -2.976 359 1HD2 LEU 44 1HD2 LEU 44 1.627 4.818 -4.004 360 2HD2 LEU 44 2HD2 LEU 44 2.222 5.799 -5.343 361 3HD2 LEU 44 3HD2 LEU 44 0.635 6.125 -4.649 362 H LYS 45 H LYS 45 6.252 7.248 -2.109 363 HA LYS 45 HA LYS 45 8.373 7.196 -3.971 364 1HB LYS 45 2HB LYS 45 8.469 8.822 -2.281 365 2HB LYS 45 1HB LYS 45 8.094 7.663 -1.008 366 1HG LYS 45 2HG LYS 45 10.285 7.264 -0.643 367 2HG LYS 45 1HG LYS 45 10.564 6.936 -2.353 368 1HD LYS 45 2HD LYS 45 10.402 9.707 -1.137 369 2HD LYS 45 1HD LYS 45 11.901 8.868 -1.531 370 1HE LYS 45 2HE LYS 45 11.734 9.496 -3.701 371 2HE LYS 45 1HE LYS 45 10.101 8.812 -3.807 372 1HZ LYS 45 1HZ LYS 45 10.931 11.532 -3.133 373 2HZ LYS 45 2HZ LYS 45 9.590 10.904 -2.298 374 3HZ LYS 45 3HZ LYS 45 9.570 10.999 -3.994 375 H ALA 46 H ALA 46 8.276 5.345 -0.895 376 HA ALA 46 HA ALA 46 10.469 3.698 -1.204 377 1HB ALA 46 1HB ALA 46 7.794 3.526 0.047 378 2HB ALA 46 2HB ALA 46 9.386 3.264 0.760 379 3HB ALA 46 3HB ALA 46 8.613 1.979 -0.169 380 H LEU 47 H LEU 47 7.240 3.140 -2.655 381 HA LEU 47 HA LEU 47 7.657 0.638 -3.843 382 1HB LEU 47 2HB LEU 47 5.953 2.966 -4.164 383 2HB LEU 47 1HB LEU 47 6.296 2.228 -5.730 384 HG LEU 47 HG LEU 47 4.294 1.244 -4.634 385 1HD1 LEU 47 1HD1 LEU 47 5.878 -0.038 -6.174 386 2HD1 LEU 47 2HD1 LEU 47 4.860 -1.025 -5.124 387 3HD1 LEU 47 3HD1 LEU 47 6.556 -0.759 -4.713 388 1HD2 LEU 47 1HD2 LEU 47 4.334 0.730 -2.439 389 2HD2 LEU 47 2HD2 LEU 47 6.008 1.279 -2.359 390 3HD2 LEU 47 3HD2 LEU 47 5.650 -0.409 -2.717 391 H GLU 48 H GLU 48 8.817 3.817 -4.932 392 HA GLU 48 HA GLU 48 10.035 2.646 -7.368 393 1HB GLU 48 2HB GLU 48 8.973 4.874 -7.405 394 2HB GLU 48 1HB GLU 48 10.054 5.423 -6.124 395 1HG GLU 48 2HG GLU 48 10.817 6.139 -8.390 396 2HG GLU 48 1HG GLU 48 11.994 5.109 -7.573 397 H ALA 49 H ALA 49 11.113 4.323 -4.388 398 HA ALA 49 HA ALA 49 13.905 4.076 -4.732 399 1HB ALA 49 1HB ALA 49 12.134 3.919 -2.269 400 2HB ALA 49 2HB ALA 49 12.861 5.373 -2.953 401 3HB ALA 49 3HB ALA 49 13.882 4.143 -2.209 402 H GLN 50 H GLN 50 11.557 1.764 -3.379 403 HA GLN 50 HA GLN 50 13.331 -0.277 -2.557 404 1HB GLN 50 2HB GLN 50 10.537 -0.235 -3.735 405 2HB GLN 50 1HB GLN 50 11.272 -1.720 -3.127 406 1HG GLN 50 2HG GLN 50 10.994 0.818 -1.493 407 2HG GLN 50 1HG GLN 50 9.852 -0.523 -1.427 408 1HE2 GLN 50 1HE2 GLN 50 10.950 -2.748 -0.933 409 2HE2 GLN 50 2HE2 GLN 50 12.216 -2.734 0.197 410 H LYS 51 H LYS 51 12.477 0.842 -5.729 411 HA LYS 51 HA LYS 51 13.454 -1.588 -7.100 412 1HB LYS 51 2HB LYS 51 12.571 1.079 -8.237 413 2HB LYS 51 1HB LYS 51 12.564 -0.489 -9.049 414 1HG LYS 51 2HG LYS 51 10.866 0.336 -6.690 415 2HG LYS 51 1HG LYS 51 10.298 0.025 -8.329 416 1HD LYS 51 2HD LYS 51 11.449 -1.963 -6.358 417 2HD LYS 51 1HD LYS 51 9.829 -1.957 -7.057 418 1HE LYS 51 2HE LYS 51 11.286 -2.036 -9.339 419 2HE LYS 51 1HE LYS 51 12.391 -2.893 -8.246 420 1HZ LYS 51 1HZ LYS 51 11.052 -4.643 -8.536 421 2HZ LYS 51 2HZ LYS 51 9.819 -3.707 -9.237 422 3HZ LYS 51 3HZ LYS 51 9.936 -3.833 -7.548 423 H GLN 52 H GLN 52 15.085 0.779 -5.581 424 HA GLN 52 HA GLN 52 16.929 1.636 -7.691 425 1HB GLN 52 2HB GLN 52 16.126 2.505 -5.169 426 2HB GLN 52 1HB GLN 52 17.776 1.947 -4.904 427 1HG GLN 52 2HG GLN 52 17.623 3.427 -7.379 428 2HG GLN 52 1HG GLN 52 16.965 4.393 -6.058 429 1HE2 GLN 52 1HE2 GLN 52 19.272 5.427 -6.971 430 2HE2 GLN 52 2HE2 GLN 52 20.592 5.044 -5.976 431 H LYS 53 H LYS 53 18.886 0.686 -8.165 432 HA LYS 53 HA LYS 53 19.842 -1.522 -6.381 433 1HB LYS 53 2HB LYS 53 19.121 -1.471 -9.273 434 2HB LYS 53 1HB LYS 53 20.530 -2.432 -8.826 435 1HG LYS 53 2HG LYS 53 19.296 -3.919 -7.564 436 2HG LYS 53 1HG LYS 53 18.076 -2.716 -7.151 437 1HD LYS 53 2HD LYS 53 17.114 -2.836 -9.372 438 2HD LYS 53 1HD LYS 53 18.419 -3.887 -9.925 439 1HE LYS 53 2HE LYS 53 17.388 -5.174 -7.645 440 2HE LYS 53 1HE LYS 53 15.966 -4.617 -8.551 441 1HZ LYS 53 1HZ LYS 53 18.249 -6.208 -9.584 442 2HZ LYS 53 2HZ LYS 53 17.094 -5.474 -10.590 443 3HZ LYS 53 3HZ LYS 53 16.624 -6.684 -9.494 444 H GLU 54 H GLU 54 21.473 -0.958 -9.389 445 HA GLU 54 HA GLU 54 23.554 0.684 -7.983 446 1HB GLU 54 2HB GLU 54 23.955 -1.692 -9.836 447 2HB GLU 54 1HB GLU 54 25.237 -0.762 -9.062 448 1HG GLU 54 2HG GLU 54 23.219 -1.741 -7.168 449 2HG GLU 54 1HG GLU 54 24.072 -3.035 -8.011 450 H GLN 55 H GLN 55 22.713 2.564 -9.160 451 HA GLN 55 HA GLN 55 23.576 2.591 -12.025 452 1HB GLN 55 2HB GLN 55 20.934 3.472 -10.816 453 2HB GLN 55 1HB GLN 55 21.439 3.898 -12.452 454 1HG GLN 55 2HG GLN 55 21.147 1.766 -13.244 455 2HG GLN 55 1HG GLN 55 21.624 1.024 -11.718 456 1HE2 GLN 55 1HE2 GLN 55 18.959 1.487 -13.678 457 2HE2 GLN 55 2HE2 GLN 55 17.737 1.366 -12.508 458 H ARG 56 HN ARG 56 24.482 3.691 -9.281 459 HA ARG 56 HA ARG 56 24.964 6.468 -10.238 460 1HB ARG 56 2HB ARG 56 22.922 6.467 -8.866 461 2HB ARG 56 1HB ARG 56 23.789 5.654 -7.562 462 1HG ARG 56 2HG ARG 56 23.768 7.993 -7.016 463 2HG ARG 56 1HG ARG 56 25.402 7.618 -7.566 464 1HD ARG 56 2HD ARG 56 24.665 8.363 -9.893 465 2HD ARG 56 1HD ARG 56 23.203 9.007 -9.119 466 HE ARG 56 HE ARG 56 25.399 9.909 -7.588 467 1HH1 ARG 56 1HH2 ARG 56 23.295 11.637 -8.951 468 2HH1 ARG 56 2HH2 ARG 56 24.279 12.594 -10.008 469 1HH2 ARG 56 1HH1 ARG 56 27.050 10.524 -9.729 470 2HH2 ARG 56 2HH1 ARG 56 26.410 11.962 -10.448 Start of MODEL 2 1 1H MET 1 1H MET 1 -9.065 8.954 -2.549 2 2H MET 1 2H MET 1 -9.894 7.500 -2.839 3 3H MET 1 3H MET 1 -8.777 8.084 -3.976 4 HA MET 1 HA MET 1 -7.243 7.915 -1.753 5 1HB MET 1 2HB MET 1 -9.412 6.854 -0.794 6 2HB MET 1 1HB MET 1 -9.037 5.472 -1.828 7 1HG MET 1 2HG MET 1 -7.967 4.836 0.108 8 2HG MET 1 1HG MET 1 -6.651 5.681 -0.707 9 1HE MET 1 1HE MET 1 -5.970 6.423 2.888 10 2HE MET 1 2HE MET 1 -6.048 5.141 1.685 11 3HE MET 1 3HE MET 1 -7.340 5.303 2.869 12 H LYS 2 H LYS 2 -6.003 7.965 -3.900 13 HA LYS 2 HA LYS 2 -6.046 5.944 -5.850 14 1HB LYS 2 2HB LYS 2 -4.057 7.834 -4.692 15 2HB LYS 2 1HB LYS 2 -3.376 6.481 -5.597 16 1HG LYS 2 2HG LYS 2 -4.419 7.120 -7.593 17 2HG LYS 2 1HG LYS 2 -5.657 8.056 -6.757 18 1HD LYS 2 2HD LYS 2 -4.061 9.777 -6.177 19 2HD LYS 2 1HD LYS 2 -2.724 8.808 -6.799 20 1HE LYS 2 2HE LYS 2 -4.062 8.845 -9.051 21 2HE LYS 2 1HE LYS 2 -4.881 10.247 -8.335 22 1HZ LYS 2 1HZ LYS 2 -2.533 11.000 -7.722 23 2HZ LYS 2 2HZ LYS 2 -3.006 11.159 -9.345 24 3HZ LYS 2 3HZ LYS 2 -1.997 9.876 -8.874 25 H VAL 3 H VAL 3 -4.891 3.794 -5.889 26 HA VAL 3 HA VAL 3 -4.209 2.931 -3.139 27 HB VAL 3 HB VAL 3 -6.128 2.048 -5.224 28 1HG1 VAL 3 1HG1 VAL 3 -4.720 0.083 -4.734 29 2HG1 VAL 3 2HG1 VAL 3 -6.381 -0.120 -4.171 30 3HG1 VAL 3 3HG1 VAL 3 -5.097 0.261 -3.021 31 1HG2 VAL 3 1HG2 VAL 3 -6.173 3.373 -2.793 32 2HG2 VAL 3 2HG2 VAL 3 -6.747 1.749 -2.410 33 3HG2 VAL 3 3HG2 VAL 3 -7.558 2.705 -3.645 34 H ILE 4 H ILE 4 -2.471 1.755 -2.872 35 HA ILE 4 HA ILE 4 -0.922 0.755 -5.187 36 HB ILE 4 HB ILE 4 -0.535 1.742 -2.401 37 1HG1 ILE 4 2HG1 ILE 4 0.195 2.447 -5.070 38 2HG1 ILE 4 1HG1 ILE 4 0.513 3.349 -3.595 39 1HG2 ILE 4 1HG2 ILE 4 1.005 -0.515 -3.583 40 2HG2 ILE 4 2HG2 ILE 4 0.471 -0.258 -1.926 41 3HG2 ILE 4 3HG2 ILE 4 1.830 0.653 -2.554 42 1HD1 ILE 4 1HD1 ILE 4 2.554 1.818 -3.289 43 2HD1 ILE 4 2HD1 ILE 4 2.647 2.994 -4.599 44 3HD1 ILE 4 3HD1 ILE 4 2.283 1.307 -4.953 45 H PHE 5 H PHE 5 -2.342 -1.230 -5.478 46 HA PHE 5 HA PHE 5 -2.933 -3.003 -3.288 47 1HB PHE 5 2HB PHE 5 -2.584 -3.258 -6.241 48 2HB PHE 5 1HB PHE 5 -2.631 -4.724 -5.281 49 HD1 PHE 5 HD1 PHE 5 -4.663 -5.545 -4.335 50 HD2 PHE 5 HD2 PHE 5 -4.587 -1.686 -6.229 51 HE1 PHE 5 HE1 PHE 5 -7.130 -5.508 -4.343 52 HE2 PHE 5 HE2 PHE 5 -7.060 -1.652 -6.228 53 HZ PHE 5 HZ PHE 5 -8.327 -3.561 -5.302 54 H LEU 6 H LEU 6 -1.379 -4.045 -2.061 55 HA LEU 6 HA LEU 6 1.418 -3.991 -2.887 56 1HB LEU 6 2HB LEU 6 1.724 -5.120 -0.690 57 2HB LEU 6 1HB LEU 6 0.702 -3.687 -0.552 58 HG LEU 6 HG LEU 6 -1.064 -5.781 -1.157 59 1HD1 LEU 6 1HD1 LEU 6 0.686 -7.404 -0.612 60 2HD1 LEU 6 2HD1 LEU 6 -0.547 -7.419 0.648 61 3HD1 LEU 6 3HD1 LEU 6 0.987 -6.594 0.926 62 1HD2 LEU 6 1HD2 LEU 6 -1.090 -5.374 1.637 63 2HD2 LEU 6 2HD2 LEU 6 -2.066 -4.528 0.440 64 3HD2 LEU 6 3HD2 LEU 6 -0.519 -3.856 0.947 65 H LYS 7 H LYS 7 -1.240 -6.243 -3.000 66 HA LYS 7 HA LYS 7 0.616 -8.293 -4.174 67 1HB LYS 7 2HB LYS 7 -1.564 -8.430 -2.141 68 2HB LYS 7 1HB LYS 7 -1.424 -9.787 -3.263 69 1HG LYS 7 2HG LYS 7 0.710 -10.349 -2.533 70 2HG LYS 7 1HG LYS 7 1.029 -8.733 -1.900 71 1HD LYS 7 2HD LYS 7 -0.825 -9.179 -0.196 72 2HD LYS 7 1HD LYS 7 -0.764 -10.863 -0.714 73 1HE LYS 7 2HE LYS 7 1.589 -9.282 0.388 74 2HE LYS 7 1HE LYS 7 0.680 -10.529 1.261 75 1HZ LYS 7 1HZ LYS 7 2.747 -10.883 -0.616 76 2HZ LYS 7 2HZ LYS 7 1.325 -11.560 -1.251 77 3HZ LYS 7 3HZ LYS 7 1.909 -12.065 0.261 78 H ASP 8 H ASP 8 -0.680 -9.848 -5.606 79 HA ASP 8 HA ASP 8 -2.309 -8.220 -7.461 80 1HB ASP 8 2HB ASP 8 -2.077 -10.264 -8.879 81 2HB ASP 8 1HB ASP 8 -0.521 -9.676 -8.296 82 H VAL 9 H VAL 9 -4.530 -8.536 -7.773 83 HA VAL 9 HA VAL 9 -5.893 -10.282 -5.782 84 HB VAL 9 HB VAL 9 -7.324 -8.448 -7.681 85 1HG1 VAL 9 1HG1 VAL 9 -7.924 -9.926 -5.349 86 2HG1 VAL 9 2HG1 VAL 9 -8.976 -8.794 -6.196 87 3HG1 VAL 9 3HG1 VAL 9 -7.960 -8.227 -4.872 88 1HG2 VAL 9 1HG2 VAL 9 -5.322 -7.147 -6.902 89 2HG2 VAL 9 2HG2 VAL 9 -5.801 -7.466 -5.236 90 3HG2 VAL 9 3HG2 VAL 9 -6.838 -6.496 -6.280 91 H LYS 10 H LYS 10 -8.324 -10.530 -7.349 92 HA LYS 10 HA LYS 10 -7.587 -12.863 -8.971 93 1HB LYS 10 2HB LYS 10 -10.229 -11.477 -8.394 94 2HB LYS 10 1HB LYS 10 -10.055 -13.075 -9.124 95 1HG LYS 10 2HG LYS 10 -8.967 -13.919 -7.114 96 2HG LYS 10 1HG LYS 10 -9.001 -12.313 -6.388 97 1HD LYS 10 2HD LYS 10 -11.410 -13.995 -7.137 98 2HD LYS 10 1HD LYS 10 -10.853 -13.635 -5.502 99 1HE LYS 10 2HE LYS 10 -11.076 -11.113 -6.649 100 2HE LYS 10 1HE LYS 10 -12.475 -11.989 -7.299 101 1HZ LYS 10 1HZ LYS 10 -11.766 -11.443 -4.503 102 2HZ LYS 10 2HZ LYS 10 -12.596 -12.882 -4.860 103 3HZ LYS 10 3HZ LYS 10 -13.283 -11.379 -5.259 104 H GLY 11 H GLY 11 -6.319 -11.290 -10.498 105 1HA GLY 11 2HA GLY 11 -6.195 -10.386 -12.663 106 2HA GLY 11 1HA GLY 11 -7.843 -10.960 -12.917 107 H LYS 12 H LYS 12 -7.371 -8.968 -10.158 108 HA LYS 12 HA LYS 12 -8.680 -6.695 -11.611 109 1HB LYS 12 2HB LYS 12 -8.922 -7.915 -8.873 110 2HB LYS 12 1HB LYS 12 -9.363 -6.223 -9.109 111 1HG LYS 12 2HG LYS 12 -10.476 -7.847 -11.230 112 2HG LYS 12 1HG LYS 12 -10.961 -8.479 -9.656 113 1HD LYS 12 2HD LYS 12 -12.134 -6.579 -9.094 114 2HD LYS 12 1HD LYS 12 -11.082 -5.522 -10.035 115 1HE LYS 12 2HE LYS 12 -13.128 -7.445 -11.204 116 2HE LYS 12 1HE LYS 12 -13.307 -5.683 -11.104 117 1HZ LYS 12 1HZ LYS 12 -11.842 -7.203 -12.996 118 2HZ LYS 12 2HZ LYS 12 -10.791 -6.162 -12.166 119 3HZ LYS 12 3HZ LYS 12 -12.144 -5.535 -12.980 120 H GLY 13 H GLY 13 -6.132 -7.599 -9.321 121 1HA GLY 13 2HA GLY 13 -4.953 -4.895 -9.726 122 2HA GLY 13 1HA GLY 13 -5.144 -5.502 -8.077 123 H LYS 14 H LYS 14 -2.584 -4.933 -8.767 124 HA LYS 14 HA LYS 14 -1.356 -7.632 -9.042 125 1HB LYS 14 2HB LYS 14 -0.887 -5.152 -10.705 126 2HB LYS 14 1HB LYS 14 0.342 -6.412 -10.578 127 1HG LYS 14 2HG LYS 14 -1.790 -7.960 -11.119 128 2HG LYS 14 1HG LYS 14 -2.312 -6.482 -11.926 129 1HD LYS 14 2HD LYS 14 -1.102 -7.476 -13.637 130 2HD LYS 14 1HD LYS 14 0.166 -6.519 -12.872 131 1HE LYS 14 2HE LYS 14 1.224 -8.374 -11.991 132 2HE LYS 14 1HE LYS 14 -0.298 -9.268 -11.791 133 1HZ LYS 14 1HZ LYS 14 1.433 -9.651 -13.823 134 2HZ LYS 14 2HZ LYS 14 0.326 -8.570 -14.523 135 3HZ LYS 14 3HZ LYS 14 -0.215 -10.045 -13.878 136 H LYS 15 H LYS 15 1.171 -7.242 -8.688 137 HA LYS 15 HA LYS 15 1.675 -6.553 -6.050 138 1HB LYS 15 2HB LYS 15 3.906 -6.864 -6.654 139 2HB LYS 15 1HB LYS 15 3.070 -7.655 -7.986 140 1HG LYS 15 2HG LYS 15 4.117 -4.803 -8.004 141 2HG LYS 15 1HG LYS 15 4.863 -6.175 -8.822 142 1HD LYS 15 2HD LYS 15 3.056 -6.388 -10.354 143 2HD LYS 15 1HD LYS 15 2.002 -5.349 -9.388 144 1HE LYS 15 2HE LYS 15 4.476 -3.969 -10.112 145 2HE LYS 15 1HE LYS 15 3.576 -4.513 -11.542 146 1HZ LYS 15 1HZ LYS 15 2.564 -2.503 -10.971 147 2HZ LYS 15 2HZ LYS 15 2.624 -2.827 -9.304 148 3HZ LYS 15 3HZ LYS 15 1.535 -3.672 -10.300 149 H GLY 16 H GLY 16 1.981 -4.703 -4.919 150 1HA GLY 16 2HA GLY 16 1.578 -2.369 -4.541 151 2HA GLY 16 1HA GLY 16 3.136 -2.318 -5.344 152 H GLU 17 H GLU 17 -0.012 -3.108 -6.893 153 HA GLU 17 HA GLU 17 0.534 -1.262 -9.055 154 1HB GLU 17 2HB GLU 17 -1.233 -2.332 -9.989 155 2HB GLU 17 1HB GLU 17 -1.172 -3.390 -8.581 156 1HG GLU 17 2HG GLU 17 -2.742 -1.740 -7.433 157 2HG GLU 17 1HG GLU 17 -2.938 -0.962 -9.005 158 H ILE 18 H ILE 18 0.265 0.927 -9.013 159 HA ILE 18 HA ILE 18 -1.391 2.079 -6.769 160 HB ILE 18 HB ILE 18 0.618 3.559 -8.467 161 1HG1 ILE 18 2HG1 ILE 18 2.181 2.892 -6.421 162 2HG1 ILE 18 1HG1 ILE 18 1.156 1.453 -6.414 163 1HG2 ILE 18 1HG2 ILE 18 0.067 5.169 -7.014 164 2HG2 ILE 18 2HG2 ILE 18 0.726 4.182 -5.709 165 3HG2 ILE 18 3HG2 ILE 18 -0.979 4.052 -6.138 166 1HD1 ILE 18 1HD1 ILE 18 2.011 0.691 -8.393 167 2HD1 ILE 18 2HD1 ILE 18 3.364 1.755 -8.008 168 3HD1 ILE 18 3HD1 ILE 18 2.086 2.308 -9.088 169 H LYS 19 H LYS 19 -3.235 2.882 -7.368 170 HA LYS 19 HA LYS 19 -3.562 4.700 -9.627 171 1HB LYS 19 2HB LYS 19 -3.712 2.299 -10.533 172 2HB LYS 19 1HB LYS 19 -5.163 2.118 -9.546 173 1HG LYS 19 2HG LYS 19 -5.702 4.474 -10.803 174 2HG LYS 19 1HG LYS 19 -4.762 3.647 -12.046 175 1HD LYS 19 2HD LYS 19 -6.250 1.676 -11.848 176 2HD LYS 19 1HD LYS 19 -7.203 2.529 -10.633 177 1HE LYS 19 2HE LYS 19 -7.355 4.402 -12.495 178 2HE LYS 19 1HE LYS 19 -7.010 3.045 -13.584 179 1HZ LYS 19 1HZ LYS 19 -9.455 3.611 -12.595 180 2HZ LYS 19 2HZ LYS 19 -8.907 2.445 -11.490 181 3HZ LYS 19 3HZ LYS 19 -8.974 2.082 -13.148 182 H ASN 20 H ASN 20 -6.523 3.473 -9.161 183 HA ASN 20 HA ASN 20 -6.997 4.313 -6.404 184 1HB ASN 20 2HB ASN 20 -8.483 6.119 -6.875 185 2HB ASN 20 1HB ASN 20 -7.059 6.425 -7.897 186 1HD2 ASN 20 1HD2 ASN 20 -10.094 7.035 -8.265 187 2HD2 ASN 20 2HD2 ASN 20 -10.431 6.447 -9.821 188 H VAL 21 H VAL 21 -8.205 2.820 -5.677 189 HA VAL 21 HA VAL 21 -9.876 1.157 -7.449 190 HB VAL 21 HB VAL 21 -8.324 0.608 -5.384 191 1HG1 VAL 21 1HG1 VAL 21 -10.690 0.887 -3.689 192 2HG1 VAL 21 2HG1 VAL 21 -9.837 2.376 -4.102 193 3HG1 VAL 21 3HG1 VAL 21 -8.981 1.064 -3.297 194 1HG2 VAL 21 1HG2 VAL 21 -9.378 -1.244 -6.211 195 2HG2 VAL 21 2HG2 VAL 21 -10.984 -0.558 -5.954 196 3HG2 VAL 21 3HG2 VAL 21 -10.039 -1.144 -4.583 197 H ALA 22 H ALA 22 -11.853 0.981 -5.165 198 HA ALA 22 HA ALA 22 -13.396 3.385 -5.893 199 1HB ALA 22 1HB ALA 22 -13.870 0.877 -4.645 200 2HB ALA 22 2HB ALA 22 -15.062 2.123 -5.006 201 3HB ALA 22 3HB ALA 22 -14.252 2.109 -3.447 202 H ASP 23 H ASP 23 -12.484 5.289 -5.142 203 HA ASP 23 HA ASP 23 -10.493 5.859 -3.491 204 1HB ASP 23 2HB ASP 23 -13.236 7.103 -3.765 205 2HB ASP 23 1HB ASP 23 -11.988 7.865 -2.802 206 H GLY 24 H GLY 24 -13.667 4.715 -2.306 207 1HA GLY 24 2HA GLY 24 -12.713 4.993 0.501 208 2HA GLY 24 1HA GLY 24 -14.363 4.579 0.020 209 H TYR 25 H TYR 25 -13.675 2.582 -1.890 210 HA TYR 25 HA TYR 25 -13.576 0.145 -0.476 211 1HB TYR 25 2HB TYR 25 -14.088 0.269 -2.831 212 2HB TYR 25 1HB TYR 25 -12.595 1.130 -3.155 213 HD1 TYR 25 HD1 TYR 25 -11.639 -1.496 -0.997 214 HD2 TYR 25 HD2 TYR 25 -12.900 -0.759 -5.030 215 HE1 TYR 25 HE1 TYR 25 -10.595 -3.575 -1.722 216 HE2 TYR 25 HE2 TYR 25 -11.853 -2.877 -5.740 217 HH TYR 25 HH TYR 25 -10.838 -4.723 -5.078 218 H ALA 26 H ALA 26 -11.006 1.872 -2.134 219 HA ALA 26 HA ALA 26 -8.634 0.629 -1.543 220 1HB ALA 26 1HB ALA 26 -9.373 3.536 -0.922 221 2HB ALA 26 2HB ALA 26 -8.945 2.915 -2.511 222 3HB ALA 26 3HB ALA 26 -7.735 2.960 -1.226 223 H ASN 27 H ASN 27 -10.025 2.903 0.874 224 HA ASN 27 HA ASN 27 -8.495 1.563 3.009 225 1HB ASN 27 2HB ASN 27 -9.107 3.520 4.278 226 2HB ASN 27 1HB ASN 27 -8.748 4.068 2.646 227 1HD2 ASN 27 1HD2 ASN 27 -10.094 5.894 2.689 228 2HD2 ASN 27 2HD2 ASN 27 -11.775 5.774 2.735 229 H ASN 28 H ASN 28 -10.875 0.179 1.715 230 HA ASN 28 HA ASN 28 -12.394 -0.289 4.250 231 1HB ASN 28 2HB ASN 28 -13.377 1.175 2.239 232 2HB ASN 28 1HB ASN 28 -13.759 -0.419 1.592 233 1HD2 ASN 28 1HD2 ASN 28 -13.879 -1.089 4.785 234 2HD2 ASN 28 2HD2 ASN 28 -15.487 -0.683 5.129 235 H PHE 29 H PHE 29 -10.435 -1.632 1.950 236 HA PHE 29 HA PHE 29 -11.270 -4.376 2.611 237 1HB PHE 29 2HB PHE 29 -12.843 -3.930 0.831 238 2HB PHE 29 1HB PHE 29 -11.645 -3.056 -0.081 239 HD1 PHE 29 HD1 PHE 29 -10.230 -6.079 1.283 240 HD2 PHE 29 HD2 PHE 29 -12.615 -4.560 -1.936 241 HE1 PHE 29 HE1 PHE 29 -9.599 -8.015 -0.091 242 HE2 PHE 29 HE2 PHE 29 -12.000 -6.510 -3.311 243 HZ PHE 29 HZ PHE 29 -10.502 -8.259 -2.390 244 H LEU 30 H LEU 30 -9.313 -2.385 0.386 245 HA LEU 30 HA LEU 30 -7.254 -4.457 0.145 246 1HB LEU 30 2HB LEU 30 -7.088 -1.561 -0.737 247 2HB LEU 30 1HB LEU 30 -6.324 -2.970 -1.485 248 HG LEU 30 HG LEU 30 -9.262 -2.646 -1.212 249 1HD1 LEU 30 1HD1 LEU 30 -8.741 -2.357 -3.909 250 2HD1 LEU 30 2HD1 LEU 30 -7.449 -1.426 -3.154 251 3HD1 LEU 30 3HD1 LEU 30 -9.134 -1.040 -2.803 252 1HD2 LEU 30 1HD2 LEU 30 -7.529 -4.748 -2.206 253 2HD2 LEU 30 2HD2 LEU 30 -8.661 -4.229 -3.446 254 3HD2 LEU 30 3HD2 LEU 30 -9.260 -4.805 -1.892 255 H PHE 31 H PHE 31 -7.703 -1.453 1.789 256 HA PHE 31 HA PHE 31 -4.977 -1.370 2.829 257 1HB PHE 31 2HB PHE 31 -7.572 0.072 3.316 258 2HB PHE 31 1HB PHE 31 -6.026 0.586 3.958 259 HD1 PHE 31 HD1 PHE 31 -7.040 2.619 2.505 260 HD2 PHE 31 HD2 PHE 31 -5.301 -0.943 0.848 261 HE1 PHE 31 HE1 PHE 31 -6.477 3.862 0.450 262 HE2 PHE 31 HE2 PHE 31 -4.730 0.328 -1.202 263 HZ PHE 31 HZ PHE 31 -5.316 2.716 -1.391 264 H LYS 32 H LYS 32 -8.122 -1.384 4.534 265 HA LYS 32 HA LYS 32 -7.201 -2.080 7.083 266 1HB LYS 32 2HB LYS 32 -9.531 -1.404 6.092 267 2HB LYS 32 1HB LYS 32 -9.785 -3.147 5.985 268 1HG LYS 32 2HG LYS 32 -10.639 -2.464 8.121 269 2HG LYS 32 1HG LYS 32 -9.110 -3.286 8.430 270 1HD LYS 32 2HD LYS 32 -8.106 -1.393 9.183 271 2HD LYS 32 1HD LYS 32 -8.851 -0.389 7.936 272 1HE LYS 32 2HE LYS 32 -9.735 0.284 10.120 273 2HE LYS 32 1HE LYS 32 -11.026 -0.547 9.228 274 1HZ LYS 32 1HZ LYS 32 -9.487 -1.455 11.527 275 2HZ LYS 32 2HZ LYS 32 -9.796 -2.620 10.331 276 3HZ LYS 32 3HZ LYS 32 -11.085 -1.813 11.086 277 H GLN 33 H GLN 33 -7.319 -4.135 4.287 278 HA GLN 33 HA GLN 33 -7.099 -6.564 6.029 279 1HB GLN 33 2HB GLN 33 -7.728 -6.188 3.091 280 2HB GLN 33 1HB GLN 33 -7.640 -7.751 3.895 281 1HG GLN 33 2HG GLN 33 -9.360 -6.782 5.559 282 2HG GLN 33 1HG GLN 33 -9.625 -5.524 4.351 283 1HE2 GLN 33 1HE2 GLN 33 -9.150 -9.114 4.150 284 2HE2 GLN 33 2HE2 GLN 33 -10.513 -9.377 3.175 285 H GLY 34 H GLY 34 -5.930 -6.772 2.775 286 1HA GLY 34 2HA GLY 34 -3.179 -6.076 3.357 287 2HA GLY 34 1HA GLY 34 -3.439 -7.819 3.405 288 H LEU 35 H LEU 35 -5.055 -5.504 1.236 289 HA LEU 35 HA LEU 35 -3.901 -7.036 -1.071 290 1HB LEU 35 2HB LEU 35 -6.226 -5.109 -1.000 291 2HB LEU 35 1HB LEU 35 -5.814 -6.204 -2.302 292 HG LEU 35 HG LEU 35 -6.082 -7.987 -0.305 293 1HD1 LEU 35 1HD1 LEU 35 -7.795 -7.415 1.220 294 2HD1 LEU 35 2HD1 LEU 35 -8.278 -6.014 0.267 295 3HD1 LEU 35 3HD1 LEU 35 -6.779 -5.976 1.187 296 1HD2 LEU 35 1HD2 LEU 35 -8.247 -8.469 -1.281 297 2HD2 LEU 35 2HD2 LEU 35 -7.202 -7.857 -2.563 298 3HD2 LEU 35 3HD2 LEU 35 -8.410 -6.800 -1.832 299 H ALA 36 H ALA 36 -4.679 -3.785 0.088 300 HA ALA 36 HA ALA 36 -2.440 -2.651 -1.551 301 1HB ALA 36 1HB ALA 36 -3.921 -1.043 -2.502 302 2HB ALA 36 2HB ALA 36 -5.200 -1.439 -1.354 303 3HB ALA 36 3HB ALA 36 -4.779 -2.578 -2.632 304 H ILE 37 H ILE 37 -2.348 -0.173 -1.038 305 HA ILE 37 HA ILE 37 -3.117 0.420 1.786 306 HB ILE 37 HB ILE 37 -0.808 1.320 2.160 307 1HG1 ILE 37 2HG1 ILE 37 -0.593 0.355 -0.649 308 2HG1 ILE 37 1HG1 ILE 37 0.106 1.787 0.091 309 1HG2 ILE 37 1HG2 ILE 37 -1.592 -1.054 2.751 310 2HG2 ILE 37 2HG2 ILE 37 0.149 -0.788 2.679 311 3HG2 ILE 37 3HG2 ILE 37 -0.679 -1.584 1.339 312 1HD1 ILE 37 1HD1 ILE 37 1.048 -1.054 0.579 313 2HD1 ILE 37 2HD1 ILE 37 1.762 0.405 1.265 314 3HD1 ILE 37 3HD1 ILE 37 1.848 0.114 -0.473 315 H GLU 38 H GLU 38 -3.335 2.673 2.142 316 HA GLU 38 HA GLU 38 -4.454 4.287 0.194 317 1HB GLU 38 2HB GLU 38 -4.434 4.885 2.535 318 2HB GLU 38 1HB GLU 38 -2.675 4.979 2.549 319 1HG GLU 38 2HG GLU 38 -3.337 6.736 0.525 320 2HG GLU 38 1HG GLU 38 -4.643 6.979 1.684 321 H ALA 39 H ALA 39 -3.568 4.682 -1.867 322 HA ALA 39 HA ALA 39 -0.785 4.625 -2.478 323 1HB ALA 39 1HB ALA 39 -1.452 5.890 -4.479 324 2HB ALA 39 2HB ALA 39 -2.955 6.357 -3.691 325 3HB ALA 39 3HB ALA 39 -2.662 4.668 -4.103 326 H THR 40 H THR 40 0.484 5.765 -0.919 327 HA THR 40 HA THR 40 0.033 8.728 -0.735 328 HB THR 40 HB THR 40 0.100 8.072 1.472 329 HG1 THR 40 HG1 THR 40 2.871 7.893 0.995 330 1HG2 THR 40 1HG2 THR 40 0.175 5.747 1.436 331 2HG2 THR 40 2HG2 THR 40 1.741 6.118 2.149 332 3HG2 THR 40 3HG2 THR 40 1.629 5.706 0.441 333 HA PRO 41 HA PRO 41 3.643 9.622 -2.994 334 1HB PRO 41 2HB PRO 41 5.039 11.328 -1.353 335 2HB PRO 41 1HB PRO 41 3.635 11.841 -2.313 336 1HG PRO 41 2HG PRO 41 3.773 11.073 0.567 337 2HG PRO 41 1HG PRO 41 2.908 12.419 -0.199 338 1HD PRO 41 2HD PRO 41 1.643 10.171 0.537 339 2HD PRO 41 1HD PRO 41 1.174 11.069 -0.918 340 H ALA 42 H ALA 42 4.398 9.302 0.506 341 HA ALA 42 HA ALA 42 6.939 8.286 0.547 342 1HB ALA 42 1HB ALA 42 5.839 8.377 2.603 343 2HB ALA 42 2HB ALA 42 5.862 6.636 2.321 344 3HB ALA 42 3HB ALA 42 4.403 7.565 1.982 345 H ASN 43 H ASN 43 4.036 6.289 -0.141 346 HA ASN 43 HA ASN 43 5.625 3.951 -0.871 347 1HB ASN 43 2HB ASN 43 2.698 4.674 -1.223 348 2HB ASN 43 1HB ASN 43 3.374 3.050 -1.362 349 1HD2 ASN 43 1HD2 ASN 43 2.522 2.038 0.491 350 2HD2 ASN 43 2HD2 ASN 43 2.756 2.610 2.080 351 H LEU 44 H LEU 44 3.325 5.974 -2.748 352 HA LEU 44 HA LEU 44 3.798 4.986 -5.304 353 1HB LEU 44 2HB LEU 44 3.106 7.665 -4.132 354 2HB LEU 44 1HB LEU 44 3.366 7.540 -5.874 355 HG LEU 44 HG LEU 44 1.677 5.775 -6.030 356 1HD1 LEU 44 1HD1 LEU 44 0.316 5.227 -4.002 357 2HD1 LEU 44 2HD1 LEU 44 1.453 6.162 -3.035 358 3HD1 LEU 44 3HD1 LEU 44 1.997 4.707 -3.870 359 1HD2 LEU 44 1HD2 LEU 44 -0.327 7.121 -5.214 360 2HD2 LEU 44 2HD2 LEU 44 0.781 7.986 -6.275 361 3HD2 LEU 44 3HD2 LEU 44 0.828 8.267 -4.534 362 H LYS 45 H LYS 45 5.927 6.927 -3.331 363 HA LYS 45 HA LYS 45 7.676 7.793 -5.497 364 1HB LYS 45 2HB LYS 45 7.517 9.062 -3.441 365 2HB LYS 45 1HB LYS 45 7.894 7.635 -2.473 366 1HG LYS 45 2HG LYS 45 10.035 8.387 -2.546 367 2HG LYS 45 1HG LYS 45 10.045 7.749 -4.189 368 1HD LYS 45 2HD LYS 45 10.652 9.911 -4.681 369 2HD LYS 45 1HD LYS 45 8.903 10.140 -4.671 370 1HE LYS 45 2HE LYS 45 9.498 10.416 -2.002 371 2HE LYS 45 1HE LYS 45 10.925 11.139 -2.770 372 1HZ LYS 45 1HZ LYS 45 9.616 12.910 -3.090 373 2HZ LYS 45 2HZ LYS 45 8.188 12.042 -2.775 374 3HZ LYS 45 3HZ LYS 45 8.884 12.004 -4.324 375 H ALA 46 H ALA 46 7.650 5.174 -3.100 376 HA ALA 46 HA ALA 46 10.226 4.070 -3.847 377 1HB ALA 46 1HB ALA 46 8.553 2.110 -2.669 378 2HB ALA 46 2HB ALA 46 8.067 3.652 -1.967 379 3HB ALA 46 3HB ALA 46 9.743 3.119 -1.850 380 H LEU 47 H LEU 47 6.843 3.174 -4.586 381 HA LEU 47 HA LEU 47 7.089 0.873 -6.070 382 1HB LEU 47 2HB LEU 47 5.361 3.204 -5.947 383 2HB LEU 47 1HB LEU 47 5.426 2.560 -7.587 384 HG LEU 47 HG LEU 47 3.623 1.515 -6.227 385 1HD1 LEU 47 1HD1 LEU 47 5.064 -0.891 -6.448 386 2HD1 LEU 47 2HD1 LEU 47 5.735 0.174 -7.683 387 3HD1 LEU 47 3HD1 LEU 47 4.006 -0.175 -7.660 388 1HD2 LEU 47 1HD2 LEU 47 5.116 1.675 -4.095 389 2HD2 LEU 47 2HD2 LEU 47 5.787 0.139 -4.646 390 3HD2 LEU 47 3HD2 LEU 47 4.065 0.271 -4.283 391 H GLU 48 H GLU 48 7.587 4.165 -7.406 392 HA GLU 48 HA GLU 48 8.201 3.671 -10.041 393 1HB GLU 48 2HB GLU 48 8.285 5.893 -9.269 394 2HB GLU 48 1HB GLU 48 9.381 5.488 -7.947 395 1HG GLU 48 2HG GLU 48 10.546 4.846 -10.543 396 2HG GLU 48 1HG GLU 48 10.114 6.551 -10.425 397 H ALA 49 H ALA 49 10.446 3.198 -7.295 398 HA ALA 49 HA ALA 49 12.770 2.500 -8.745 399 1HB ALA 49 1HB ALA 49 13.289 2.637 -6.541 400 2HB ALA 49 2HB ALA 49 12.821 0.940 -6.463 401 3HB ALA 49 3HB ALA 49 11.656 2.196 -6.045 402 H GLN 50 H GLN 50 10.323 0.248 -7.378 403 HA GLN 50 HA GLN 50 11.302 -2.197 -8.206 404 1HB GLN 50 2HB GLN 50 8.986 -1.253 -7.177 405 2HB GLN 50 1HB GLN 50 8.438 -1.657 -8.804 406 1HG GLN 50 2HG GLN 50 10.047 -3.599 -7.145 407 2HG GLN 50 1HG GLN 50 8.290 -3.521 -7.035 408 1HE2 GLN 50 1HE2 GLN 50 7.100 -3.769 -9.211 409 2HE2 GLN 50 2HE2 GLN 50 7.789 -4.800 -10.369 410 H LYS 51 H LYS 51 9.294 -0.039 -10.255 411 HA LYS 51 HA LYS 51 9.462 -1.650 -12.626 412 1HB LYS 51 2HB LYS 51 7.992 0.429 -11.793 413 2HB LYS 51 1HB LYS 51 9.179 1.321 -12.747 414 1HG LYS 51 2HG LYS 51 7.770 0.832 -14.476 415 2HG LYS 51 1HG LYS 51 8.609 -0.719 -14.454 416 1HD LYS 51 2HD LYS 51 6.543 -1.616 -14.176 417 2HD LYS 51 1HD LYS 51 6.701 -1.077 -12.503 418 1HE LYS 51 2HE LYS 51 5.030 0.426 -12.780 419 2HE LYS 51 1HE LYS 51 5.836 1.118 -14.202 420 1HZ LYS 51 1HZ LYS 51 4.671 -1.540 -14.498 421 2HZ LYS 51 2HZ LYS 51 4.760 -0.264 -15.617 422 3HZ LYS 51 3HZ LYS 51 3.581 -0.245 -14.394 423 H GLN 52 H GLN 52 11.392 1.133 -11.494 424 HA GLN 52 HA GLN 52 12.957 1.682 -13.736 425 1HB GLN 52 2HB GLN 52 12.916 2.753 -11.426 426 2HB GLN 52 1HB GLN 52 13.980 1.452 -10.890 427 1HG GLN 52 2HG GLN 52 14.609 3.258 -13.240 428 2HG GLN 52 1HG GLN 52 15.180 3.563 -11.597 429 1HE2 GLN 52 1HE2 GLN 52 15.793 0.922 -10.767 430 2HE2 GLN 52 2HE2 GLN 52 17.059 0.321 -11.723 431 H LYS 53 H LYS 53 13.478 -0.911 -11.336 432 HA LYS 53 HA LYS 53 15.942 -1.911 -12.272 433 1HB LYS 53 2HB LYS 53 13.602 -2.827 -10.716 434 2HB LYS 53 1HB LYS 53 14.579 -4.122 -11.412 435 1HG LYS 53 2HG LYS 53 16.399 -3.634 -10.112 436 2HG LYS 53 1HG LYS 53 16.075 -1.901 -10.126 437 1HD LYS 53 2HD LYS 53 15.646 -2.591 -7.891 438 2HD LYS 53 1HD LYS 53 14.055 -2.427 -8.636 439 1HE LYS 53 2HE LYS 53 15.268 -5.102 -8.970 440 2HE LYS 53 1HE LYS 53 14.875 -4.673 -7.293 441 1HZ LYS 53 1HZ LYS 53 12.970 -4.056 -9.452 442 2HZ LYS 53 2HZ LYS 53 12.672 -4.315 -7.798 443 3HZ LYS 53 3HZ LYS 53 13.027 -5.627 -8.816 444 H GLU 54 H GLU 54 16.491 -2.938 -14.119 445 HA GLU 54 HA GLU 54 14.440 -4.451 -15.663 446 1HB GLU 54 2HB GLU 54 15.636 -1.856 -16.300 447 2HB GLU 54 1HB GLU 54 15.895 -3.037 -17.582 448 1HG GLU 54 2HG GLU 54 13.747 -2.883 -18.232 449 2HG GLU 54 1HG GLU 54 13.185 -3.232 -16.596 450 H GLN 55 H GLN 55 17.618 -3.346 -16.760 451 HA GLN 55 HA GLN 55 18.948 -5.875 -16.058 452 1HB GLN 55 2HB GLN 55 17.431 -6.235 -18.107 453 2HB GLN 55 1HB GLN 55 18.551 -5.185 -18.978 454 1HG GLN 55 2HG GLN 55 19.847 -6.992 -19.337 455 2HG GLN 55 1HG GLN 55 20.184 -7.015 -17.605 456 1HE2 GLN 55 1HE2 GLN 55 19.789 -9.347 -19.494 457 2HE2 GLN 55 2HE2 GLN 55 18.523 -10.252 -18.817 458 H ARG 56 HN ARG 56 19.259 -2.828 -15.900 459 HA ARG 56 HA ARG 56 22.081 -2.761 -16.873 460 1HB ARG 56 2HB ARG 56 20.229 -1.701 -18.402 461 2HB ARG 56 1HB ARG 56 20.236 -0.406 -17.205 462 1HG ARG 56 2HG ARG 56 22.785 -1.408 -18.482 463 2HG ARG 56 1HG ARG 56 21.825 -0.116 -19.204 464 1HD ARG 56 2HD ARG 56 22.021 1.206 -17.122 465 2HD ARG 56 1HD ARG 56 22.997 -0.088 -16.399 466 HE ARG 56 HE ARG 56 24.092 0.637 -18.956 467 1HH1 ARG 56 1HH1 ARG 56 23.497 3.259 -17.423 468 2HH1 ARG 56 2HH1 ARG 56 25.033 3.535 -16.671 469 1HH2 ARG 56 1HH2 ARG 56 26.197 0.322 -17.266 470 2HH2 ARG 56 2HH2 ARG 56 26.565 1.874 -16.588 Start of MODEL 3 1 1H MET 1 1H MET 1 -8.069 9.245 -3.358 2 2H MET 1 2H MET 1 -9.123 8.982 -2.053 3 3H MET 1 3H MET 1 -9.177 7.962 -3.413 4 HA MET 1 HA MET 1 -6.796 8.209 -1.649 5 1HB MET 1 2HB MET 1 -9.169 7.328 -0.748 6 2HB MET 1 1HB MET 1 -8.679 5.867 -1.619 7 1HG MET 1 2HG MET 1 -6.856 5.483 -0.255 8 2HG MET 1 1HG MET 1 -6.665 7.184 0.159 9 1HE MET 1 1HE MET 1 -6.888 4.321 2.144 10 2HE MET 1 2HE MET 1 -7.246 5.363 3.514 11 3HE MET 1 3HE MET 1 -6.079 5.882 2.301 12 H LYS 2 H LYS 2 -5.674 8.150 -3.856 13 HA LYS 2 HA LYS 2 -5.987 6.119 -5.780 14 1HB LYS 2 2HB LYS 2 -3.644 7.657 -4.658 15 2HB LYS 2 1HB LYS 2 -3.364 6.408 -5.871 16 1HG LYS 2 2HG LYS 2 -4.633 7.542 -7.504 17 2HG LYS 2 1HG LYS 2 -5.438 8.554 -6.300 18 1HD LYS 2 2HD LYS 2 -3.890 10.121 -6.825 19 2HD LYS 2 1HD LYS 2 -2.769 9.133 -5.886 20 1HE LYS 2 2HE LYS 2 -3.092 8.078 -8.586 21 2HE LYS 2 1HE LYS 2 -2.503 9.754 -8.596 22 1HZ LYS 2 1HZ LYS 2 -0.559 8.628 -8.217 23 2HZ LYS 2 2HZ LYS 2 -1.313 7.374 -7.355 24 3HZ LYS 2 3HZ LYS 2 -1.067 8.884 -6.618 25 H VAL 3 H VAL 3 -4.884 3.906 -5.868 26 HA VAL 3 HA VAL 3 -4.256 2.967 -3.129 27 HB VAL 3 HB VAL 3 -6.178 2.190 -5.248 28 1HG1 VAL 3 1HG1 VAL 3 -4.920 0.156 -4.951 29 2HG1 VAL 3 2HG1 VAL 3 -6.485 -0.013 -4.151 30 3HG1 VAL 3 3HG1 VAL 3 -5.029 0.290 -3.196 31 1HG2 VAL 3 1HG2 VAL 3 -6.784 1.780 -2.435 32 2HG2 VAL 3 2HG2 VAL 3 -7.613 2.768 -3.635 33 3HG2 VAL 3 3HG2 VAL 3 -6.218 3.418 -2.776 34 H ILE 4 H ILE 4 -2.520 1.742 -2.878 35 HA ILE 4 HA ILE 4 -1.019 0.765 -5.242 36 HB ILE 4 HB ILE 4 -0.505 1.701 -2.450 37 1HG1 ILE 4 2HG1 ILE 4 0.284 2.267 -5.174 38 2HG1 ILE 4 1HG1 ILE 4 0.507 3.271 -3.752 39 1HG2 ILE 4 1HG2 ILE 4 0.911 -0.606 -3.710 40 2HG2 ILE 4 2HG2 ILE 4 0.362 -0.402 -2.051 41 3HG2 ILE 4 3HG2 ILE 4 1.770 0.476 -2.616 42 1HD1 ILE 4 1HD1 ILE 4 2.365 1.183 -4.896 43 2HD1 ILE 4 2HD1 ILE 4 2.520 1.730 -3.227 44 3HD1 ILE 4 3HD1 ILE 4 2.704 2.879 -4.553 45 H PHE 5 H PHE 5 -2.247 -1.253 -5.616 46 HA PHE 5 HA PHE 5 -2.936 -2.981 -3.398 47 1HB PHE 5 2HB PHE 5 -2.617 -3.245 -6.350 48 2HB PHE 5 1HB PHE 5 -2.635 -4.717 -5.394 49 HD1 PHE 5 HD1 PHE 5 -4.632 -5.387 -4.124 50 HD2 PHE 5 HD2 PHE 5 -4.650 -1.821 -6.532 51 HE1 PHE 5 HE1 PHE 5 -7.097 -5.338 -4.031 52 HE2 PHE 5 HE2 PHE 5 -7.118 -1.782 -6.430 53 HZ PHE 5 HZ PHE 5 -8.339 -3.542 -5.195 54 H LEU 6 H LEU 6 -1.475 -4.159 -2.194 55 HA LEU 6 HA LEU 6 1.367 -3.978 -2.868 56 1HB LEU 6 2HB LEU 6 1.579 -5.322 -0.752 57 2HB LEU 6 1HB LEU 6 0.608 -3.867 -0.542 58 HG LEU 6 HG LEU 6 -1.227 -5.803 -1.349 59 1HD1 LEU 6 1HD1 LEU 6 0.148 -7.677 -0.979 60 2HD1 LEU 6 2HD1 LEU 6 -0.756 -7.530 0.528 61 3HD1 LEU 6 3HD1 LEU 6 0.907 -6.951 0.438 62 1HD2 LEU 6 1HD2 LEU 6 -2.268 -5.021 0.512 63 2HD2 LEU 6 2HD2 LEU 6 -0.878 -3.959 0.685 64 3HD2 LEU 6 3HD2 LEU 6 -0.930 -5.492 1.556 65 H LYS 7 H LYS 7 -1.260 -6.238 -3.149 66 HA LYS 7 HA LYS 7 0.564 -8.064 -4.657 67 1HB LYS 7 2HB LYS 7 -1.235 -8.594 -2.337 68 2HB LYS 7 1HB LYS 7 -1.166 -9.824 -3.604 69 1HG LYS 7 2HG LYS 7 1.206 -10.046 -3.384 70 2HG LYS 7 1HG LYS 7 1.300 -8.636 -2.328 71 1HD LYS 7 2HD LYS 7 0.759 -9.855 -0.493 72 2HD LYS 7 1HD LYS 7 -0.570 -10.657 -1.331 73 1HE LYS 7 2HE LYS 7 1.108 -12.337 -0.726 74 2HE LYS 7 1HE LYS 7 1.141 -12.119 -2.489 75 1HZ LYS 7 1HZ LYS 7 2.914 -10.512 -2.237 76 2HZ LYS 7 2HZ LYS 7 3.375 -11.985 -1.525 77 3HZ LYS 7 3HZ LYS 7 2.878 -10.685 -0.550 78 H ASP 8 H ASP 8 -0.840 -9.631 -5.959 79 HA ASP 8 HA ASP 8 -2.704 -8.041 -7.555 80 1HB ASP 8 2HB ASP 8 -1.675 -9.464 -8.997 81 2HB ASP 8 1HB ASP 8 -1.159 -10.520 -7.686 82 H VAL 9 H VAL 9 -4.916 -8.957 -8.075 83 HA VAL 9 HA VAL 9 -6.161 -10.154 -5.617 84 HB VAL 9 HB VAL 9 -7.591 -8.468 -7.685 85 1HG1 VAL 9 1HG1 VAL 9 -8.205 -9.682 -5.127 86 2HG1 VAL 9 2HG1 VAL 9 -9.290 -8.886 -6.266 87 3HG1 VAL 9 3HG1 VAL 9 -8.438 -7.937 -5.048 88 1HG2 VAL 9 1HG2 VAL 9 -5.442 -7.343 -6.688 89 2HG2 VAL 9 2HG2 VAL 9 -6.373 -7.267 -5.196 90 3HG2 VAL 9 3HG2 VAL 9 -6.958 -6.448 -6.642 91 H LYS 10 H LYS 10 -8.713 -10.440 -7.262 92 HA LYS 10 HA LYS 10 -8.223 -13.120 -8.244 93 1HB LYS 10 2HB LYS 10 -10.383 -11.583 -7.444 94 2HB LYS 10 1HB LYS 10 -10.638 -11.731 -9.183 95 1HG LYS 10 2HG LYS 10 -11.596 -13.724 -8.624 96 2HG LYS 10 1HG LYS 10 -9.926 -14.287 -8.564 97 1HD LYS 10 2HD LYS 10 -10.022 -14.590 -6.330 98 2HD LYS 10 1HD LYS 10 -10.691 -12.979 -6.079 99 1HE LYS 10 2HE LYS 10 -12.895 -13.726 -6.192 100 2HE LYS 10 1HE LYS 10 -12.473 -15.120 -7.208 101 1HZ LYS 10 1HZ LYS 10 -11.507 -16.233 -5.415 102 2HZ LYS 10 2HZ LYS 10 -12.919 -15.566 -4.746 103 3HZ LYS 10 3HZ LYS 10 -11.412 -14.834 -4.461 104 H GLY 11 H GLY 11 -6.369 -11.760 -9.649 105 1HA GLY 11 2HA GLY 11 -5.632 -11.637 -11.887 106 2HA GLY 11 1HA GLY 11 -7.258 -12.074 -12.409 107 H LYS 12 H LYS 12 -7.058 -9.453 -10.176 108 HA LYS 12 HA LYS 12 -7.495 -7.530 -12.443 109 1HB LYS 12 2HB LYS 12 -9.309 -8.338 -10.604 110 2HB LYS 12 1HB LYS 12 -8.586 -6.992 -9.724 111 1HG LYS 12 2HG LYS 12 -9.660 -5.491 -11.016 112 2HG LYS 12 1HG LYS 12 -9.069 -6.263 -12.489 113 1HD LYS 12 2HD LYS 12 -10.875 -7.885 -12.433 114 2HD LYS 12 1HD LYS 12 -11.409 -7.292 -10.858 115 1HE LYS 12 2HE LYS 12 -12.847 -6.010 -12.096 116 2HE LYS 12 1HE LYS 12 -11.424 -4.978 -12.356 117 1HZ LYS 12 1HZ LYS 12 -12.446 -5.696 -14.462 118 2HZ LYS 12 2HZ LYS 12 -12.162 -7.317 -14.041 119 3HZ LYS 12 3HZ LYS 12 -10.857 -6.263 -14.301 120 H GLY 13 H GLY 13 -6.918 -7.174 -8.924 121 1HA GLY 13 2HA GLY 13 -5.366 -4.820 -9.181 122 2HA GLY 13 1HA GLY 13 -5.315 -5.889 -7.782 123 H LYS 14 H LYS 14 -2.922 -4.952 -8.219 124 HA LYS 14 HA LYS 14 -1.396 -7.182 -9.391 125 1HB LYS 14 2HB LYS 14 -1.375 -4.304 -10.341 126 2HB LYS 14 1HB LYS 14 -0.018 -5.393 -10.644 127 1HG LYS 14 2HG LYS 14 -1.961 -7.012 -11.469 128 2HG LYS 14 1HG LYS 14 -2.803 -5.485 -11.732 129 1HD LYS 14 2HD LYS 14 -0.081 -5.306 -12.705 130 2HD LYS 14 1HD LYS 14 -0.904 -6.687 -13.435 131 1HE LYS 14 2HE LYS 14 -2.155 -5.321 -14.740 132 2HE LYS 14 1HE LYS 14 -2.673 -4.378 -13.330 133 1HZ LYS 14 1HZ LYS 14 -0.483 -3.288 -13.344 134 2HZ LYS 14 2HZ LYS 14 -1.360 -2.983 -14.767 135 3HZ LYS 14 3HZ LYS 14 -0.088 -4.110 -14.775 136 H LYS 15 H LYS 15 1.003 -6.807 -8.836 137 HA LYS 15 HA LYS 15 1.188 -6.227 -6.038 138 1HB LYS 15 2HB LYS 15 3.024 -6.921 -8.297 139 2HB LYS 15 1HB LYS 15 3.733 -6.398 -6.764 140 1HG LYS 15 2HG LYS 15 3.426 -8.859 -6.820 141 2HG LYS 15 1HG LYS 15 2.446 -8.112 -5.561 142 1HD LYS 15 2HD LYS 15 1.038 -9.703 -6.695 143 2HD LYS 15 1HD LYS 15 0.499 -8.100 -7.206 144 1HE LYS 15 2HE LYS 15 1.000 -8.574 -9.375 145 2HE LYS 15 1HE LYS 15 2.642 -9.073 -8.934 146 1HZ LYS 15 1HZ LYS 15 2.033 -11.187 -9.113 147 2HZ LYS 15 2HZ LYS 15 0.474 -10.714 -9.588 148 3HZ LYS 15 3HZ LYS 15 0.818 -10.977 -7.948 149 H GLY 16 H GLY 16 1.830 -4.412 -4.975 150 1HA GLY 16 2HA GLY 16 1.948 -2.053 -4.720 151 2HA GLY 16 1HA GLY 16 3.377 -2.246 -5.715 152 H GLU 17 H GLU 17 0.159 -3.004 -7.035 153 HA GLU 17 HA GLU 17 0.622 -1.085 -9.178 154 1HB GLU 17 2HB GLU 17 -0.973 -2.326 -10.151 155 2HB GLU 17 1HB GLU 17 -1.050 -3.297 -8.686 156 1HG GLU 17 2HG GLU 17 -2.907 -2.067 -7.849 157 2HG GLU 17 1HG GLU 17 -2.640 -0.738 -8.976 158 H ILE 18 H ILE 18 0.294 1.052 -9.046 159 HA ILE 18 HA ILE 18 -1.440 2.099 -6.806 160 HB ILE 18 HB ILE 18 0.529 3.743 -8.367 161 1HG1 ILE 18 2HG1 ILE 18 2.110 2.879 -6.355 162 2HG1 ILE 18 1HG1 ILE 18 1.191 1.404 -6.655 163 1HG2 ILE 18 1HG2 ILE 18 0.813 4.296 -5.713 164 2HG2 ILE 18 2HG2 ILE 18 -0.869 3.770 -5.776 165 3HG2 ILE 18 3HG2 ILE 18 -0.328 5.115 -6.780 166 1HD1 ILE 18 1HD1 ILE 18 3.400 2.328 -8.115 167 2HD1 ILE 18 2HD1 ILE 18 2.006 2.652 -9.146 168 3HD1 ILE 18 3HD1 ILE 18 2.315 1.014 -8.571 169 H LYS 19 H LYS 19 -3.257 2.955 -7.387 170 HA LYS 19 HA LYS 19 -3.535 4.866 -9.567 171 1HB LYS 19 2HB LYS 19 -3.736 2.362 -10.432 172 2HB LYS 19 1HB LYS 19 -5.340 2.450 -9.706 173 1HG LYS 19 2HG LYS 19 -5.549 3.126 -12.020 174 2HG LYS 19 1HG LYS 19 -5.728 4.570 -11.023 175 1HD LYS 19 2HD LYS 19 -3.496 5.287 -11.489 176 2HD LYS 19 1HD LYS 19 -3.070 3.725 -12.191 177 1HE LYS 19 2HE LYS 19 -3.457 5.080 -14.093 178 2HE LYS 19 1HE LYS 19 -5.009 4.243 -13.883 179 1HZ LYS 19 1HZ LYS 19 -5.034 6.792 -14.064 180 2HZ LYS 19 2HZ LYS 19 -4.451 6.773 -12.467 181 3HZ LYS 19 3HZ LYS 19 -5.951 6.068 -12.835 182 H ASN 20 H ASN 20 -6.526 3.625 -9.137 183 HA ASN 20 HA ASN 20 -6.956 4.397 -6.351 184 1HB ASN 20 2HB ASN 20 -8.603 6.157 -6.883 185 2HB ASN 20 1HB ASN 20 -7.011 6.580 -7.537 186 1HD2 ASN 20 1HD2 ASN 20 -9.080 7.856 -8.787 187 2HD2 ASN 20 2HD2 ASN 20 -9.408 7.170 -10.306 188 H VAL 21 H VAL 21 -8.201 2.934 -5.616 189 HA VAL 21 HA VAL 21 -9.894 1.291 -7.392 190 HB VAL 21 HB VAL 21 -8.368 0.661 -5.356 191 1HG1 VAL 21 1HG1 VAL 21 -10.553 0.975 -3.498 192 2HG1 VAL 21 2HG1 VAL 21 -9.921 2.519 -4.072 193 3HG1 VAL 21 3HG1 VAL 21 -8.843 1.356 -3.305 194 1HG2 VAL 21 1HG2 VAL 21 -11.116 -0.327 -5.826 195 2HG2 VAL 21 2HG2 VAL 21 -10.183 -0.957 -4.470 196 3HG2 VAL 21 3HG2 VAL 21 -9.574 -1.128 -6.115 197 H ALA 22 H ALA 22 -11.798 1.233 -4.933 198 HA ALA 22 HA ALA 22 -13.307 3.645 -5.766 199 1HB ALA 22 1HB ALA 22 -13.890 1.168 -4.516 200 2HB ALA 22 2HB ALA 22 -15.028 2.470 -4.858 201 3HB ALA 22 3HB ALA 22 -14.203 2.409 -3.309 202 H ASP 23 H ASP 23 -12.360 5.500 -5.033 203 HA ASP 23 HA ASP 23 -10.344 6.080 -3.402 204 1HB ASP 23 2HB ASP 23 -11.971 7.651 -4.486 205 2HB ASP 23 1HB ASP 23 -13.071 7.406 -3.140 206 H GLY 24 H GLY 24 -13.500 5.034 -2.161 207 1HA GLY 24 2HA GLY 24 -12.444 5.228 0.620 208 2HA GLY 24 1HA GLY 24 -14.128 4.913 0.193 209 H TYR 25 H TYR 25 -13.580 2.866 -1.746 210 HA TYR 25 HA TYR 25 -13.608 0.419 -0.340 211 1HB TYR 25 2HB TYR 25 -14.104 0.579 -2.691 212 2HB TYR 25 1HB TYR 25 -12.582 1.388 -3.006 213 HD1 TYR 25 HD1 TYR 25 -13.053 -0.475 -4.888 214 HD2 TYR 25 HD2 TYR 25 -11.622 -1.294 -0.930 215 HE1 TYR 25 HE1 TYR 25 -12.122 -2.623 -5.662 216 HE2 TYR 25 HE2 TYR 25 -10.707 -3.400 -1.714 217 HH TYR 25 HH TYR 25 -11.433 -4.720 -4.823 218 H ALA 26 H ALA 26 -10.996 2.009 -2.008 219 HA ALA 26 HA ALA 26 -8.679 0.685 -1.530 220 1HB ALA 26 1HB ALA 26 -9.305 3.587 -0.786 221 2HB ALA 26 2HB ALA 26 -8.942 3.004 -2.404 222 3HB ALA 26 3HB ALA 26 -7.697 2.974 -1.163 223 H ASN 27 H ASN 27 -10.008 2.825 1.065 224 HA ASN 27 HA ASN 27 -8.283 1.544 3.066 225 1HB ASN 27 2HB ASN 27 -9.089 3.330 4.466 226 2HB ASN 27 1HB ASN 27 -8.880 4.006 2.851 227 1HD2 ASN 27 1HD2 ASN 27 -10.526 5.402 2.454 228 2HD2 ASN 27 2HD2 ASN 27 -12.151 5.111 2.794 229 H ASN 28 H ASN 28 -11.294 0.583 1.855 230 HA ASN 28 HA ASN 28 -12.101 -0.413 4.566 231 1HB ASN 28 2HB ASN 28 -13.497 1.104 2.824 232 2HB ASN 28 1HB ASN 28 -13.986 -0.499 2.271 233 1HD2 ASN 28 1HD2 ASN 28 -16.172 0.347 3.242 234 2HD2 ASN 28 2HD2 ASN 28 -16.435 0.045 4.892 235 H PHE 29 H PHE 29 -10.521 -1.566 1.882 236 HA PHE 29 HA PHE 29 -11.318 -4.355 2.535 237 1HB PHE 29 2HB PHE 29 -12.907 -3.776 0.807 238 2HB PHE 29 1HB PHE 29 -11.685 -2.926 -0.103 239 HD1 PHE 29 HD1 PHE 29 -12.700 -4.369 -2.006 240 HD2 PHE 29 HD2 PHE 29 -10.406 -6.015 1.219 241 HE1 PHE 29 HE1 PHE 29 -12.157 -6.332 -3.397 242 HE2 PHE 29 HE2 PHE 29 -9.851 -7.968 -0.169 243 HZ PHE 29 HZ PHE 29 -10.738 -8.152 -2.477 244 H LEU 30 H LEU 30 -9.345 -2.316 0.380 245 HA LEU 30 HA LEU 30 -7.369 -4.442 0.042 246 1HB LEU 30 2HB LEU 30 -7.139 -1.529 -0.770 247 2HB LEU 30 1HB LEU 30 -6.413 -2.933 -1.563 248 HG LEU 30 HG LEU 30 -9.340 -2.509 -1.244 249 1HD1 LEU 30 1HD1 LEU 30 -8.890 -2.296 -3.944 250 2HD1 LEU 30 2HD1 LEU 30 -7.497 -1.448 -3.273 251 3HD1 LEU 30 3HD1 LEU 30 -9.134 -0.926 -2.863 252 1HD2 LEU 30 1HD2 LEU 30 -7.720 -4.706 -2.243 253 2HD2 LEU 30 2HD2 LEU 30 -8.872 -4.156 -3.454 254 3HD2 LEU 30 3HD2 LEU 30 -9.442 -4.682 -1.872 255 H PHE 31 H PHE 31 -7.631 -1.421 1.721 256 HA PHE 31 HA PHE 31 -4.901 -1.509 2.750 257 1HB PHE 31 2HB PHE 31 -7.402 0.031 3.366 258 2HB PHE 31 1HB PHE 31 -5.798 0.461 3.919 259 HD1 PHE 31 HD1 PHE 31 -5.253 -1.011 0.782 260 HD2 PHE 31 HD2 PHE 31 -6.888 2.544 2.536 261 HE1 PHE 31 HE1 PHE 31 -4.772 0.267 -1.291 262 HE2 PHE 31 HE2 PHE 31 -6.420 3.798 0.463 263 HZ PHE 31 HZ PHE 31 -5.346 2.662 -1.430 264 H LYS 32 H LYS 32 -8.132 -1.695 4.272 265 HA LYS 32 HA LYS 32 -7.155 -2.359 6.882 266 1HB LYS 32 2HB LYS 32 -9.391 -1.368 6.032 267 2HB LYS 32 1HB LYS 32 -9.878 -3.048 5.794 268 1HG LYS 32 2HG LYS 32 -10.607 -2.442 7.996 269 2HG LYS 32 1HG LYS 32 -9.185 -3.469 8.207 270 1HD LYS 32 2HD LYS 32 -8.077 -0.951 7.972 271 2HD LYS 32 1HD LYS 32 -9.556 -0.634 8.876 272 1HE LYS 32 2HE LYS 32 -8.382 -1.302 10.714 273 2HE LYS 32 1HE LYS 32 -8.565 -2.947 10.076 274 1HZ LYS 32 1HZ LYS 32 -6.515 -1.506 8.705 275 2HZ LYS 32 2HZ LYS 32 -6.433 -3.010 9.490 276 3HZ LYS 32 3HZ LYS 32 -6.200 -1.576 10.369 277 H GLN 33 H GLN 33 -7.119 -4.356 4.138 278 HA GLN 33 HA GLN 33 -7.207 -6.742 5.933 279 1HB GLN 33 2HB GLN 33 -9.137 -7.170 4.824 280 2HB GLN 33 1HB GLN 33 -8.757 -6.018 3.547 281 1HG GLN 33 2HG GLN 33 -7.452 -7.571 2.372 282 2HG GLN 33 1HG GLN 33 -7.313 -8.635 3.763 283 1HE2 GLN 33 1HE2 GLN 33 -8.534 -10.489 3.430 284 2HE2 GLN 33 2HE2 GLN 33 -10.067 -10.534 2.703 285 H GLY 34 H GLY 34 -5.421 -4.940 3.625 286 1HA GLY 34 2HA GLY 34 -3.070 -5.450 3.334 287 2HA GLY 34 1HA GLY 34 -3.437 -7.146 3.571 288 H LEU 35 H LEU 35 -5.449 -5.444 1.202 289 HA LEU 35 HA LEU 35 -4.158 -7.069 -0.947 290 1HB LEU 35 2HB LEU 35 -6.399 -5.037 -0.998 291 2HB LEU 35 1HB LEU 35 -5.899 -5.992 -2.368 292 HG LEU 35 HG LEU 35 -6.349 -7.964 -0.586 293 1HD1 LEU 35 1HD1 LEU 35 -8.477 -5.896 -0.023 294 2HD1 LEU 35 2HD1 LEU 35 -7.125 -6.192 1.067 295 3HD1 LEU 35 3HD1 LEU 35 -8.290 -7.473 0.738 296 1HD2 LEU 35 1HD2 LEU 35 -8.494 -8.226 -1.781 297 2HD2 LEU 35 2HD2 LEU 35 -7.227 -7.707 -2.894 298 3HD2 LEU 35 3HD2 LEU 35 -8.408 -6.540 -2.299 299 H ALA 36 H ALA 36 -4.758 -3.781 0.021 300 HA ALA 36 HA ALA 36 -2.472 -2.743 -1.629 301 1HB ALA 36 1HB ALA 36 -4.776 -2.608 -2.723 302 2HB ALA 36 2HB ALA 36 -3.935 -1.068 -2.544 303 3HB ALA 36 3HB ALA 36 -5.224 -1.506 -1.422 304 H ILE 37 H ILE 37 -2.461 -0.187 -1.139 305 HA ILE 37 HA ILE 37 -3.105 0.347 1.724 306 HB ILE 37 HB ILE 37 -0.829 1.253 2.054 307 1HG1 ILE 37 2HG1 ILE 37 -0.624 0.477 -0.839 308 2HG1 ILE 37 1HG1 ILE 37 -0.122 1.970 -0.056 309 1HG2 ILE 37 1HG2 ILE 37 0.235 -0.829 2.342 310 2HG2 ILE 37 2HG2 ILE 37 -0.553 -1.526 0.927 311 3HG2 ILE 37 3HG2 ILE 37 -1.482 -1.221 2.395 312 1HD1 ILE 37 1HD1 ILE 37 1.967 1.100 -0.103 313 2HD1 ILE 37 2HD1 ILE 37 1.374 -0.530 -0.424 314 3HD1 ILE 37 3HD1 ILE 37 1.428 0.082 1.230 315 H GLU 38 H GLU 38 -3.242 2.622 2.158 316 HA GLU 38 HA GLU 38 -4.522 4.236 0.239 317 1HB GLU 38 2HB GLU 38 -3.749 6.093 1.818 318 2HB GLU 38 1HB GLU 38 -4.593 4.748 2.585 319 1HG GLU 38 2HG GLU 38 -2.702 3.970 3.624 320 2HG GLU 38 1HG GLU 38 -1.646 4.484 2.307 321 H ALA 39 H ALA 39 -3.613 4.664 -1.788 322 HA ALA 39 HA ALA 39 -0.868 4.776 -2.413 323 1HB ALA 39 1HB ALA 39 -1.637 6.403 -4.217 324 2HB ALA 39 2HB ALA 39 -3.214 6.382 -3.435 325 3HB ALA 39 3HB ALA 39 -2.555 4.900 -4.128 326 H THR 40 H THR 40 0.484 5.849 -0.915 327 HA THR 40 HA THR 40 -0.121 8.741 -0.403 328 HB THR 40 HB THR 40 0.121 7.846 1.713 329 HG1 THR 40 HG1 THR 40 2.870 7.907 1.133 330 1HG2 THR 40 1HG2 THR 40 0.372 5.537 1.274 331 2HG2 THR 40 2HG2 THR 40 1.857 5.954 2.124 332 3HG2 THR 40 3HG2 THR 40 1.865 5.784 0.370 333 HA PRO 41 HA PRO 41 3.234 10.053 -2.875 334 1HB PRO 41 2HB PRO 41 4.519 11.814 -1.206 335 2HB PRO 41 1HB PRO 41 3.021 12.221 -2.068 336 1HG PRO 41 2HG PRO 41 3.404 11.367 0.762 337 2HG PRO 41 1HG PRO 41 2.328 12.606 0.094 338 1HD PRO 41 2HD PRO 41 1.448 10.154 0.812 339 2HD PRO 41 1HD PRO 41 0.723 11.078 -0.517 340 H ALA 42 H ALA 42 4.100 9.604 0.570 341 HA ALA 42 HA ALA 42 6.744 8.910 0.550 342 1HB ALA 42 1HB ALA 42 5.222 6.878 1.954 343 2HB ALA 42 2HB ALA 42 4.474 8.463 2.154 344 3HB ALA 42 3HB ALA 42 6.158 8.215 2.618 345 H ASN 43 H ASN 43 4.113 6.619 -0.275 346 HA ASN 43 HA ASN 43 6.021 4.574 -1.166 347 1HB ASN 43 2HB ASN 43 3.249 4.841 -0.441 348 2HB ASN 43 1HB ASN 43 3.356 4.048 -2.014 349 1HD2 ASN 43 1HD2 ASN 43 2.876 3.049 0.937 350 2HD2 ASN 43 2HD2 ASN 43 3.925 1.708 1.050 351 H LEU 44 H LEU 44 3.443 6.472 -2.796 352 HA LEU 44 HA LEU 44 3.722 5.751 -5.426 353 1HB LEU 44 2HB LEU 44 3.171 8.258 -3.936 354 2HB LEU 44 1HB LEU 44 3.542 8.459 -5.651 355 HG LEU 44 HG LEU 44 1.135 8.159 -5.389 356 1HD1 LEU 44 1HD1 LEU 44 0.855 6.537 -7.044 357 2HD1 LEU 44 2HD1 LEU 44 2.081 5.476 -6.350 358 3HD1 LEU 44 3HD1 LEU 44 2.563 6.930 -7.223 359 1HD2 LEU 44 1HD2 LEU 44 0.287 5.978 -4.449 360 2HD2 LEU 44 2HD2 LEU 44 1.070 7.010 -3.251 361 3HD2 LEU 44 3HD2 LEU 44 1.933 5.626 -3.922 362 H LYS 45 H LYS 45 5.891 8.025 -3.704 363 HA LYS 45 HA LYS 45 7.625 8.556 -5.931 364 1HB LYS 45 2HB LYS 45 7.477 8.988 -3.041 365 2HB LYS 45 1HB LYS 45 9.133 8.701 -3.577 366 1HG LYS 45 2HG LYS 45 8.887 10.452 -5.295 367 2HG LYS 45 1HG LYS 45 7.231 10.744 -4.762 368 1HD LYS 45 2HD LYS 45 9.336 10.824 -2.662 369 2HD LYS 45 1HD LYS 45 9.321 12.158 -3.816 370 1HE LYS 45 2HE LYS 45 7.283 12.953 -3.082 371 2HE LYS 45 1HE LYS 45 6.693 11.334 -2.655 372 1HZ LYS 45 1HZ LYS 45 7.360 12.831 -0.736 373 2HZ LYS 45 2HZ LYS 45 8.966 12.600 -1.243 374 3HZ LYS 45 3HZ LYS 45 8.028 11.273 -0.748 375 H ALA 46 H ALA 46 7.794 6.186 -3.262 376 HA ALA 46 HA ALA 46 10.219 4.896 -3.981 377 1HB ALA 46 1HB ALA 46 9.280 3.058 -2.622 378 2HB ALA 46 2HB ALA 46 7.671 3.767 -2.771 379 3HB ALA 46 3HB ALA 46 8.926 4.615 -1.871 380 H LEU 47 H LEU 47 6.848 4.080 -4.860 381 HA LEU 47 HA LEU 47 7.302 1.860 -6.528 382 1HB LEU 47 2HB LEU 47 5.288 4.020 -6.209 383 2HB LEU 47 1HB LEU 47 5.253 3.184 -7.760 384 HG LEU 47 HG LEU 47 3.770 2.158 -6.007 385 1HD1 LEU 47 1HD1 LEU 47 4.636 0.826 -7.912 386 2HD1 LEU 47 2HD1 LEU 47 4.457 -0.158 -6.460 387 3HD1 LEU 47 3HD1 LEU 47 6.053 0.401 -6.956 388 1HD2 LEU 47 1HD2 LEU 47 5.944 2.548 -4.348 389 2HD2 LEU 47 2HD2 LEU 47 6.004 0.815 -4.664 390 3HD2 LEU 47 3HD2 LEU 47 4.550 1.537 -3.978 391 H GLU 48 H GLU 48 7.570 5.327 -7.217 392 HA GLU 48 HA GLU 48 8.034 5.079 -10.054 393 1HB GLU 48 2HB GLU 48 7.334 7.072 -8.517 394 2HB GLU 48 1HB GLU 48 9.070 7.285 -8.280 395 1HG GLU 48 2HG GLU 48 7.806 7.098 -11.023 396 2HG GLU 48 1HG GLU 48 8.052 8.632 -10.188 397 H ALA 49 H ALA 49 10.249 5.444 -7.256 398 HA ALA 49 HA ALA 49 12.652 5.376 -8.881 399 1HB ALA 49 1HB ALA 49 12.288 6.380 -6.558 400 2HB ALA 49 2HB ALA 49 13.751 5.412 -6.748 401 3HB ALA 49 3HB ALA 49 12.341 4.729 -5.939 402 H GLN 50 H GLN 50 11.345 2.989 -6.527 403 HA GLN 50 HA GLN 50 13.084 0.865 -7.054 404 1HB GLN 50 2HB GLN 50 10.433 1.308 -5.939 405 2HB GLN 50 1HB GLN 50 10.529 -0.261 -6.741 406 1HG GLN 50 2HG GLN 50 11.765 -1.100 -5.059 407 2HG GLN 50 1HG GLN 50 12.944 0.199 -5.243 408 1HE2 GLN 50 1HE2 GLN 50 11.704 -1.035 -2.724 409 2HE2 GLN 50 2HE2 GLN 50 11.090 0.296 -1.868 410 H LYS 51 H LYS 51 10.250 1.893 -8.940 411 HA LYS 51 HA LYS 51 10.184 -0.357 -10.727 412 1HB LYS 51 2HB LYS 51 9.205 2.492 -10.736 413 2HB LYS 51 1HB LYS 51 9.012 1.490 -12.174 414 1HG LYS 51 2HG LYS 51 8.146 0.476 -9.469 415 2HG LYS 51 1HG LYS 51 7.085 1.505 -10.432 416 1HD LYS 51 2HD LYS 51 8.364 -1.002 -11.537 417 2HD LYS 51 1HD LYS 51 6.778 -1.002 -10.768 418 1HE LYS 51 2HE LYS 51 6.064 -0.597 -12.924 419 2HE LYS 51 1HE LYS 51 6.470 1.080 -12.501 420 1HZ LYS 51 1HZ LYS 51 8.825 -0.306 -13.195 421 2HZ LYS 51 2HZ LYS 51 8.131 1.047 -13.951 422 3HZ LYS 51 3HZ LYS 51 7.687 -0.520 -14.435 423 H GLN 52 H GLN 52 11.612 2.922 -11.150 424 HA GLN 52 HA GLN 52 12.720 2.645 -13.699 425 1HB GLN 52 2HB GLN 52 12.774 4.526 -11.817 426 2HB GLN 52 1HB GLN 52 14.361 3.830 -11.484 427 1HG GLN 52 2HG GLN 52 14.709 4.019 -14.072 428 2HG GLN 52 1HG GLN 52 13.386 5.183 -13.988 429 1HE2 GLN 52 1HE2 GLN 52 14.427 7.203 -14.122 430 2HE2 GLN 52 2HE2 GLN 52 15.711 7.684 -13.121 431 H LYS 53 H LYS 53 13.679 0.688 -14.293 432 HA LYS 53 HA LYS 53 15.546 -0.685 -12.477 433 1HB LYS 53 2HB LYS 53 13.982 -1.204 -14.885 434 2HB LYS 53 1HB LYS 53 15.616 -1.860 -15.007 435 1HG LYS 53 2HG LYS 53 15.136 -2.694 -12.548 436 2HG LYS 53 1HG LYS 53 13.453 -2.533 -13.045 437 1HD LYS 53 2HD LYS 53 13.733 -4.636 -13.868 438 2HD LYS 53 1HD LYS 53 14.523 -3.805 -15.211 439 1HE LYS 53 2HE LYS 53 16.608 -3.956 -13.474 440 2HE LYS 53 1HE LYS 53 15.728 -5.436 -13.045 441 1HZ LYS 53 1HZ LYS 53 15.658 -6.081 -15.332 442 2HZ LYS 53 2HZ LYS 53 17.273 -5.727 -14.943 443 3HZ LYS 53 3HZ LYS 53 16.347 -4.614 -15.829 444 H GLU 54 H GLU 54 16.411 1.945 -13.222 445 HA GLU 54 HA GLU 54 18.925 1.245 -14.653 446 1HB GLU 54 2HB GLU 54 16.900 2.341 -16.010 447 2HB GLU 54 1HB GLU 54 17.542 3.820 -15.296 448 1HG GLU 54 2HG GLU 54 19.670 2.127 -16.338 449 2HG GLU 54 1HG GLU 54 18.502 2.549 -17.591 450 H GLN 55 H GLN 55 20.344 1.650 -12.987 451 HA GLN 55 HA GLN 55 20.212 4.351 -11.684 452 1HB GLN 55 2HB GLN 55 19.816 1.747 -10.562 453 2HB GLN 55 1HB GLN 55 21.358 2.354 -9.960 454 1HG GLN 55 2HG GLN 55 20.353 4.302 -9.034 455 2HG GLN 55 1HG GLN 55 18.850 4.040 -9.922 456 1HE2 GLN 55 1HE2 GLN 55 18.139 1.456 -9.410 457 2HE2 GLN 55 2HE2 GLN 55 17.997 1.168 -7.744 458 H ARG 56 HN ARG 56 21.788 3.173 -13.972 459 HA ARG 56 HA ARG 56 24.491 3.882 -12.949 460 1HB ARG 56 2HB ARG 56 23.829 1.360 -12.829 461 2HB ARG 56 1HB ARG 56 24.027 1.391 -14.581 462 1HG ARG 56 2HG ARG 56 26.242 2.699 -13.194 463 2HG ARG 56 1HG ARG 56 26.060 1.009 -12.722 464 1HD ARG 56 2HD ARG 56 26.753 0.259 -14.758 465 2HD ARG 56 1HD ARG 56 25.769 1.460 -15.621 466 HE ARG 56 HE ARG 56 27.576 3.035 -15.428 467 1HH1 ARG 56 1HH2 ARG 56 28.880 0.138 -15.678 468 2HH1 ARG 56 2HH2 ARG 56 30.239 0.369 -14.627 469 1HH2 ARG 56 1HH1 ARG 56 29.011 3.307 -13.250 470 2HH2 ARG 56 2HH1 ARG 56 30.313 2.165 -13.254 Start of MODEL 4 1 1H MET 1 1H MET 1 -9.272 8.592 -3.513 2 2H MET 1 2H MET 1 -10.207 7.374 -2.791 3 3H MET 1 3H MET 1 -9.446 7.091 -4.283 4 HA MET 1 HA MET 1 -7.598 7.886 -2.236 5 1HB MET 1 2HB MET 1 -9.437 6.704 -0.949 6 2HB MET 1 1HB MET 1 -9.147 5.277 -1.950 7 1HG MET 1 2HG MET 1 -7.974 5.296 0.309 8 2HG MET 1 1HG MET 1 -6.947 4.989 -1.090 9 1HE MET 1 1HE MET 1 -4.191 6.659 -0.250 10 2HE MET 1 2HE MET 1 -4.820 7.152 -1.820 11 3HE MET 1 3HE MET 1 -5.141 5.528 -1.218 12 H LYS 2 H LYS 2 -6.174 7.833 -4.131 13 HA LYS 2 HA LYS 2 -6.006 5.794 -6.057 14 1HB LYS 2 2HB LYS 2 -4.215 7.801 -4.827 15 2HB LYS 2 1HB LYS 2 -3.382 6.438 -5.571 16 1HG LYS 2 2HG LYS 2 -5.317 7.062 -7.439 17 2HG LYS 2 1HG LYS 2 -4.819 8.646 -6.841 18 1HD LYS 2 2HD LYS 2 -2.449 7.128 -7.135 19 2HD LYS 2 1HD LYS 2 -3.396 6.855 -8.598 20 1HE LYS 2 2HE LYS 2 -2.988 9.641 -7.488 21 2HE LYS 2 1HE LYS 2 -1.837 8.904 -8.623 22 1HZ LYS 2 1HZ LYS 2 -4.647 8.594 -9.283 23 2HZ LYS 2 2HZ LYS 2 -3.323 8.921 -10.296 24 3HZ LYS 2 3HZ LYS 2 -4.047 10.174 -9.408 25 H VAL 3 H VAL 3 -4.910 3.659 -5.973 26 HA VAL 3 HA VAL 3 -4.219 2.870 -3.201 27 HB VAL 3 HB VAL 3 -6.162 2.007 -5.251 28 1HG1 VAL 3 1HG1 VAL 3 -5.116 -0.062 -5.001 29 2HG1 VAL 3 2HG1 VAL 3 -6.455 -0.116 -3.850 30 3HG1 VAL 3 3HG1 VAL 3 -4.810 0.186 -3.284 31 1HG2 VAL 3 1HG2 VAL 3 -6.142 3.319 -2.826 32 2HG2 VAL 3 2HG2 VAL 3 -6.727 1.702 -2.424 33 3HG2 VAL 3 3HG2 VAL 3 -7.553 2.665 -3.645 34 H ILE 4 H ILE 4 -2.501 1.658 -2.903 35 HA ILE 4 HA ILE 4 -0.980 0.553 -5.203 36 HB ILE 4 HB ILE 4 -0.523 1.692 -2.481 37 1HG1 ILE 4 2HG1 ILE 4 0.225 2.141 -5.221 38 2HG1 ILE 4 1HG1 ILE 4 0.463 3.207 -3.847 39 1HG2 ILE 4 1HG2 ILE 4 0.959 -0.662 -3.567 40 2HG2 ILE 4 2HG2 ILE 4 0.417 -0.330 -1.922 41 3HG2 ILE 4 3HG2 ILE 4 1.800 0.527 -2.575 42 1HD1 ILE 4 1HD1 ILE 4 2.331 1.146 -4.995 43 2HD1 ILE 4 2HD1 ILE 4 2.499 1.651 -3.313 44 3HD1 ILE 4 3HD1 ILE 4 2.658 2.837 -4.610 45 H PHE 5 H PHE 5 -2.029 -1.537 -5.438 46 HA PHE 5 HA PHE 5 -2.757 -3.136 -3.098 47 1HB PHE 5 2HB PHE 5 -2.466 -3.526 -6.039 48 2HB PHE 5 1HB PHE 5 -2.475 -4.952 -5.024 49 HD1 PHE 5 HD1 PHE 5 -4.466 -5.431 -3.552 50 HD2 PHE 5 HD2 PHE 5 -4.521 -2.292 -6.495 51 HE1 PHE 5 HE1 PHE 5 -6.933 -5.446 -3.521 52 HE2 PHE 5 HE2 PHE 5 -6.991 -2.310 -6.447 53 HZ PHE 5 HZ PHE 5 -8.193 -3.885 -4.974 54 H LEU 6 H LEU 6 -1.203 -4.345 -1.867 55 HA LEU 6 HA LEU 6 1.587 -4.283 -2.736 56 1HB LEU 6 2HB LEU 6 0.500 -6.098 -0.588 57 2HB LEU 6 1HB LEU 6 2.045 -5.263 -0.638 58 HG LEU 6 HG LEU 6 1.002 -3.935 0.873 59 1HD1 LEU 6 1HD1 LEU 6 1.184 -2.718 -1.499 60 2HD1 LEU 6 2HD1 LEU 6 0.573 -1.901 -0.059 61 3HD1 LEU 6 3HD1 LEU 6 -0.550 -2.576 -1.234 62 1HD2 LEU 6 1HD2 LEU 6 -1.664 -3.570 0.322 63 2HD2 LEU 6 2HD2 LEU 6 -1.003 -4.740 1.459 64 3HD2 LEU 6 3HD2 LEU 6 -1.370 -5.230 -0.193 65 H LYS 7 H LYS 7 -1.147 -6.472 -2.771 66 HA LYS 7 HA LYS 7 0.561 -8.555 -4.099 67 1HB LYS 7 2HB LYS 7 -1.761 -8.580 -2.236 68 2HB LYS 7 1HB LYS 7 -1.695 -9.867 -3.443 69 1HG LYS 7 2HG LYS 7 0.629 -10.374 -2.737 70 2HG LYS 7 1HG LYS 7 0.491 -9.146 -1.477 71 1HD LYS 7 2HD LYS 7 -0.002 -11.259 -0.436 72 2HD LYS 7 1HD LYS 7 -1.537 -10.409 -0.617 73 1HE LYS 7 2HE LYS 7 -2.234 -12.365 -1.594 74 2HE LYS 7 1HE LYS 7 -1.370 -11.751 -3.017 75 1HZ LYS 7 1HZ LYS 7 0.355 -12.952 -1.052 76 2HZ LYS 7 2HZ LYS 7 0.291 -13.197 -2.731 77 3HZ LYS 7 3HZ LYS 7 -0.762 -14.045 -1.706 78 H ASP 8 H ASP 8 -1.059 -10.005 -5.481 79 HA ASP 8 HA ASP 8 -2.349 -8.121 -7.416 80 1HB ASP 8 2HB ASP 8 -1.795 -9.822 -9.061 81 2HB ASP 8 1HB ASP 8 -0.364 -9.508 -8.077 82 H VAL 9 H VAL 9 -4.473 -8.435 -7.986 83 HA VAL 9 HA VAL 9 -6.000 -10.508 -6.482 84 HB VAL 9 HB VAL 9 -7.177 -8.318 -8.186 85 1HG1 VAL 9 1HG1 VAL 9 -8.768 -8.345 -6.160 86 2HG1 VAL 9 2HG1 VAL 9 -7.935 -9.824 -5.684 87 3HG1 VAL 9 3HG1 VAL 9 -8.797 -9.754 -7.221 88 1HG2 VAL 9 1HG2 VAL 9 -5.731 -8.007 -5.556 89 2HG2 VAL 9 2HG2 VAL 9 -7.085 -6.952 -5.955 90 3HG2 VAL 9 3HG2 VAL 9 -5.654 -6.975 -6.983 91 H LYS 10 H LYS 10 -7.879 -11.481 -7.840 92 HA LYS 10 HA LYS 10 -6.754 -12.738 -10.208 93 1HB LYS 10 2HB LYS 10 -9.459 -12.718 -8.846 94 2HB LYS 10 1HB LYS 10 -9.115 -13.712 -10.262 95 1HG LYS 10 2HG LYS 10 -6.959 -14.274 -8.658 96 2HG LYS 10 1HG LYS 10 -8.242 -14.062 -7.468 97 1HD LYS 10 2HD LYS 10 -8.302 -15.925 -9.861 98 2HD LYS 10 1HD LYS 10 -8.177 -16.401 -8.167 99 1HE LYS 10 2HE LYS 10 -10.540 -15.085 -9.543 100 2HE LYS 10 1HE LYS 10 -10.497 -16.653 -8.711 101 1HZ LYS 10 1HZ LYS 10 -11.324 -15.232 -7.090 102 2HZ LYS 10 2HZ LYS 10 -10.320 -13.941 -7.554 103 3HZ LYS 10 3HZ LYS 10 -9.669 -15.274 -6.726 104 H GLY 11 H GLY 11 -6.370 -10.775 -11.539 105 1HA GLY 11 2HA GLY 11 -6.990 -9.513 -13.426 106 2HA GLY 11 1HA GLY 11 -8.592 -10.247 -13.332 107 H LYS 12 H LYS 12 -7.006 -8.493 -10.706 108 HA LYS 12 HA LYS 12 -8.929 -6.235 -11.093 109 1HB LYS 12 2HB LYS 12 -9.189 -8.313 -9.250 110 2HB LYS 12 1HB LYS 12 -8.496 -6.994 -8.304 111 1HG LYS 12 2HG LYS 12 -10.456 -5.888 -8.309 112 2HG LYS 12 1HG LYS 12 -10.554 -5.984 -10.067 113 1HD LYS 12 2HD LYS 12 -11.089 -8.590 -9.148 114 2HD LYS 12 1HD LYS 12 -11.997 -7.521 -8.080 115 1HE LYS 12 2HE LYS 12 -12.162 -6.697 -10.890 116 2HE LYS 12 1HE LYS 12 -12.831 -8.316 -10.601 117 1HZ LYS 12 1HZ LYS 12 -13.820 -7.195 -8.505 118 2HZ LYS 12 2HZ LYS 12 -14.587 -6.966 -10.003 119 3HZ LYS 12 3HZ LYS 12 -13.587 -5.751 -9.364 120 H GLY 13 H GLY 13 -6.036 -7.431 -9.353 121 1HA GLY 13 2HA GLY 13 -4.763 -4.807 -9.738 122 2HA GLY 13 1HA GLY 13 -5.044 -5.252 -8.055 123 H LYS 14 H LYS 14 -2.440 -4.899 -9.091 124 HA LYS 14 HA LYS 14 -1.394 -7.694 -8.914 125 1HB LYS 14 2HB LYS 14 0.249 -7.064 -10.626 126 2HB LYS 14 1HB LYS 14 -1.387 -6.811 -11.223 127 1HG LYS 14 2HG LYS 14 -1.142 -4.399 -10.422 128 2HG LYS 14 1HG LYS 14 0.581 -4.733 -10.265 129 1HD LYS 14 2HD LYS 14 0.144 -5.714 -12.751 130 2HD LYS 14 1HD LYS 14 -1.085 -4.450 -12.708 131 1HE LYS 14 2HE LYS 14 0.878 -2.962 -11.759 132 2HE LYS 14 1HE LYS 14 1.903 -4.180 -12.543 133 1HZ LYS 14 1HZ LYS 14 -0.401 -2.883 -13.889 134 2HZ LYS 14 2HZ LYS 14 0.799 -3.856 -14.597 135 3HZ LYS 14 3HZ LYS 14 1.188 -2.306 -14.022 136 H LYS 15 H LYS 15 1.095 -7.544 -8.423 137 HA LYS 15 HA LYS 15 1.634 -6.646 -5.891 138 1HB LYS 15 2HB LYS 15 3.936 -6.914 -6.482 139 2HB LYS 15 1HB LYS 15 3.038 -7.993 -7.549 140 1HG LYS 15 2HG LYS 15 3.911 -5.186 -8.292 141 2HG LYS 15 1HG LYS 15 4.752 -6.659 -8.777 142 1HD LYS 15 2HD LYS 15 2.465 -7.426 -9.709 143 2HD LYS 15 1HD LYS 15 1.994 -5.732 -9.574 144 1HE LYS 15 2HE LYS 15 4.385 -6.773 -11.145 145 2HE LYS 15 1HE LYS 15 2.857 -6.200 -11.840 146 1HZ LYS 15 1HZ LYS 15 3.805 -4.328 -9.951 147 2HZ LYS 15 2HZ LYS 15 3.524 -4.111 -11.613 148 3HZ LYS 15 3HZ LYS 15 5.038 -4.654 -11.069 149 H GLY 16 H GLY 16 2.048 -4.757 -4.869 150 1HA GLY 16 2HA GLY 16 1.785 -2.388 -4.605 151 2HA GLY 16 1HA GLY 16 3.311 -2.445 -5.450 152 H GLU 17 H GLU 17 0.137 -3.213 -6.937 153 HA GLU 17 HA GLU 17 0.740 -1.311 -9.069 154 1HB GLU 17 2HB GLU 17 -0.927 -2.416 -10.144 155 2HB GLU 17 1HB GLU 17 -0.822 -3.555 -8.806 156 1HG GLU 17 2HG GLU 17 -2.738 -2.688 -7.759 157 2HG GLU 17 1HG GLU 17 -2.625 -1.144 -8.602 158 H ILE 18 H ILE 18 0.386 0.826 -8.963 159 HA ILE 18 HA ILE 18 -1.398 1.882 -6.781 160 HB ILE 18 HB ILE 18 0.500 3.527 -8.431 161 1HG1 ILE 18 2HG1 ILE 18 2.161 2.864 -6.443 162 2HG1 ILE 18 1HG1 ILE 18 1.260 1.351 -6.534 163 1HG2 ILE 18 1HG2 ILE 18 -0.428 4.946 -6.926 164 2HG2 ILE 18 2HG2 ILE 18 0.770 4.260 -5.826 165 3HG2 ILE 18 3HG2 ILE 18 -0.882 3.640 -5.830 166 1HD1 ILE 18 1HD1 ILE 18 2.235 0.773 -8.487 167 2HD1 ILE 18 2HD1 ILE 18 3.394 2.060 -8.165 168 3HD1 ILE 18 3HD1 ILE 18 1.983 2.377 -9.173 169 H LYS 19 H LYS 19 -3.257 2.662 -7.404 170 HA LYS 19 HA LYS 19 -3.609 4.373 -9.747 171 1HB LYS 19 2HB LYS 19 -3.719 1.816 -10.395 172 2HB LYS 19 1HB LYS 19 -5.291 1.860 -9.595 173 1HG LYS 19 2HG LYS 19 -6.239 2.967 -11.318 174 2HG LYS 19 1HG LYS 19 -4.908 4.121 -11.403 175 1HD LYS 19 2HD LYS 19 -4.996 2.874 -13.488 176 2HD LYS 19 1HD LYS 19 -3.550 2.392 -12.601 177 1HE LYS 19 2HE LYS 19 -4.618 0.353 -11.832 178 2HE LYS 19 1HE LYS 19 -6.177 0.865 -12.508 179 1HZ LYS 19 1HZ LYS 19 -3.819 -0.146 -13.869 180 2HZ LYS 19 2HZ LYS 19 -4.568 1.184 -14.613 181 3HZ LYS 19 3HZ LYS 19 -5.452 -0.236 -14.319 182 H ASN 20 H ASN 20 -6.562 3.166 -9.244 183 HA ASN 20 HA ASN 20 -7.030 4.072 -6.500 184 1HB ASN 20 2HB ASN 20 -8.483 5.889 -6.979 185 2HB ASN 20 1HB ASN 20 -7.094 6.153 -8.058 186 1HD2 ASN 20 1HD2 ASN 20 -7.518 6.210 -10.304 187 2HD2 ASN 20 2HD2 ASN 20 -9.022 5.839 -10.997 188 H VAL 21 H VAL 21 -8.280 2.633 -5.728 189 HA VAL 21 HA VAL 21 -9.955 0.919 -7.449 190 HB VAL 21 HB VAL 21 -8.383 0.503 -5.339 191 1HG1 VAL 21 1HG1 VAL 21 -9.105 0.947 -3.295 192 2HG1 VAL 21 2HG1 VAL 21 -10.774 0.541 -3.685 193 3HG1 VAL 21 3HG1 VAL 21 -10.128 2.128 -4.103 194 1HG2 VAL 21 1HG2 VAL 21 -9.340 -1.364 -6.341 195 2HG2 VAL 21 2HG2 VAL 21 -10.969 -0.861 -5.894 196 3HG2 VAL 21 3HG2 VAL 21 -9.852 -1.435 -4.659 197 H ALA 22 H ALA 22 -11.927 0.802 -5.149 198 HA ALA 22 HA ALA 22 -13.491 3.169 -5.955 199 1HB ALA 22 1HB ALA 22 -13.951 0.703 -4.611 200 2HB ALA 22 2HB ALA 22 -15.149 1.927 -5.029 201 3HB ALA 22 3HB ALA 22 -14.343 1.985 -3.470 202 H ASP 23 H ASP 23 -12.561 5.078 -5.290 203 HA ASP 23 HA ASP 23 -10.592 5.724 -3.653 204 1HB ASP 23 2HB ASP 23 -13.354 6.966 -3.847 205 2HB ASP 23 1HB ASP 23 -11.983 7.778 -3.125 206 H GLY 24 H GLY 24 -13.773 4.647 -2.435 207 1HA GLY 24 2HA GLY 24 -12.841 5.045 0.362 208 2HA GLY 24 1HA GLY 24 -14.480 4.589 -0.112 209 H TYR 25 H TYR 25 -13.761 2.515 -1.908 210 HA TYR 25 HA TYR 25 -13.667 0.150 -0.388 211 1HB TYR 25 2HB TYR 25 -14.170 0.172 -2.738 212 2HB TYR 25 1HB TYR 25 -12.709 1.070 -3.091 213 HD1 TYR 25 HD1 TYR 25 -12.936 -0.839 -4.934 214 HD2 TYR 25 HD2 TYR 25 -11.677 -1.503 -0.886 215 HE1 TYR 25 HE1 TYR 25 -11.848 -2.944 -5.615 216 HE2 TYR 25 HE2 TYR 25 -10.606 -3.572 -1.586 217 HH TYR 25 HH TYR 25 -11.219 -5.129 -4.433 218 H ALA 26 H ALA 26 -11.103 1.749 -2.136 219 HA ALA 26 HA ALA 26 -8.748 0.536 -1.535 220 1HB ALA 26 1HB ALA 26 -7.841 2.889 -1.304 221 2HB ALA 26 2HB ALA 26 -9.496 3.459 -1.106 222 3HB ALA 26 3HB ALA 26 -8.998 2.721 -2.622 223 H ASN 27 H ASN 27 -10.096 2.877 0.873 224 HA ASN 27 HA ASN 27 -8.381 1.674 2.949 225 1HB ASN 27 2HB ASN 27 -8.703 3.699 4.033 226 2HB ASN 27 1HB ASN 27 -9.034 4.192 2.376 227 1HD2 ASN 27 1HD2 ASN 27 -10.897 5.317 2.111 228 2HD2 ASN 27 2HD2 ASN 27 -12.257 5.194 3.099 229 H ASN 28 H ASN 28 -11.174 0.520 1.818 230 HA ASN 28 HA ASN 28 -12.159 -0.109 4.581 231 1HB ASN 28 2HB ASN 28 -13.438 1.209 2.443 232 2HB ASN 28 1HB ASN 28 -14.161 -0.401 2.510 233 1HD2 ASN 28 1HD2 ASN 28 -16.081 1.106 3.268 234 2HD2 ASN 28 2HD2 ASN 28 -16.198 1.370 4.941 235 H PHE 29 H PHE 29 -10.425 -1.457 2.233 236 HA PHE 29 HA PHE 29 -11.294 -4.187 2.905 237 1HB PHE 29 2HB PHE 29 -12.872 -3.717 1.123 238 2HB PHE 29 1HB PHE 29 -11.647 -2.907 0.188 239 HD1 PHE 29 HD1 PHE 29 -10.297 -5.890 1.658 240 HD2 PHE 29 HD2 PHE 29 -12.662 -4.467 -1.618 241 HE1 PHE 29 HE1 PHE 29 -9.686 -7.885 0.364 242 HE2 PHE 29 HE2 PHE 29 -12.063 -6.478 -2.916 243 HZ PHE 29 HZ PHE 29 -10.588 -8.208 -1.924 244 H LEU 30 H LEU 30 -9.381 -2.350 0.511 245 HA LEU 30 HA LEU 30 -7.360 -4.418 0.321 246 1HB LEU 30 2HB LEU 30 -7.158 -1.522 -0.561 247 2HB LEU 30 1HB LEU 30 -6.348 -2.923 -1.280 248 HG LEU 30 HG LEU 30 -9.294 -2.589 -1.080 249 1HD1 LEU 30 1HD1 LEU 30 -9.157 -1.151 -2.815 250 2HD1 LEU 30 2HD1 LEU 30 -8.622 -2.520 -3.789 251 3HD1 LEU 30 3HD1 LEU 30 -7.433 -1.474 -3.014 252 1HD2 LEU 30 1HD2 LEU 30 -9.289 -4.805 -1.575 253 2HD2 LEU 30 2HD2 LEU 30 -7.559 -4.777 -1.903 254 3HD2 LEU 30 3HD2 LEU 30 -8.699 -4.343 -3.172 255 H PHE 31 H PHE 31 -7.645 -1.337 1.849 256 HA PHE 31 HA PHE 31 -4.957 -1.367 2.987 257 1HB PHE 31 2HB PHE 31 -7.491 0.192 3.421 258 2HB PHE 31 1HB PHE 31 -5.910 0.665 4.005 259 HD1 PHE 31 HD1 PHE 31 -5.219 -0.956 0.962 260 HD2 PHE 31 HD2 PHE 31 -6.989 2.662 2.478 261 HE1 PHE 31 HE1 PHE 31 -4.703 0.241 -1.157 262 HE2 PHE 31 HE2 PHE 31 -6.475 3.817 0.370 263 HZ PHE 31 HZ PHE 31 -5.327 2.605 -1.432 264 H LYS 32 H LYS 32 -8.289 -1.781 4.225 265 HA LYS 32 HA LYS 32 -7.557 -2.178 6.974 266 1HB LYS 32 2HB LYS 32 -9.963 -2.856 5.268 267 2HB LYS 32 1HB LYS 32 -9.934 -3.123 7.012 268 1HG LYS 32 2HG LYS 32 -9.118 -0.435 5.982 269 2HG LYS 32 1HG LYS 32 -10.835 -0.836 5.998 270 1HD LYS 32 2HD LYS 32 -10.119 -1.705 8.468 271 2HD LYS 32 1HD LYS 32 -8.983 -0.372 8.262 272 1HE LYS 32 2HE LYS 32 -11.419 0.651 7.315 273 2HE LYS 32 1HE LYS 32 -11.854 -0.262 8.770 274 1HZ LYS 32 1HZ LYS 32 -9.418 1.111 9.193 275 2HZ LYS 32 2HZ LYS 32 -10.883 1.266 10.032 276 3HZ LYS 32 3HZ LYS 32 -10.588 2.210 8.652 277 H GLN 33 H GLN 33 -7.024 -4.197 4.306 278 HA GLN 33 HA GLN 33 -6.913 -6.579 6.140 279 1HB GLN 33 2HB GLN 33 -7.957 -6.272 3.337 280 2HB GLN 33 1HB GLN 33 -7.507 -7.851 3.973 281 1HG GLN 33 2HG GLN 33 -9.467 -5.954 5.293 282 2HG GLN 33 1HG GLN 33 -9.926 -7.340 4.304 283 1HE2 GLN 33 1HE2 GLN 33 -8.936 -9.520 5.100 284 2HE2 GLN 33 2HE2 GLN 33 -8.838 -9.744 6.780 285 H GLY 34 H GLY 34 -5.236 -4.634 3.824 286 1HA GLY 34 2HA GLY 34 -2.818 -4.805 3.650 287 2HA GLY 34 1HA GLY 34 -2.944 -6.517 4.040 288 H LEU 35 H LEU 35 -5.183 -5.331 1.656 289 HA LEU 35 HA LEU 35 -3.909 -6.992 -0.429 290 1HB LEU 35 2HB LEU 35 -6.177 -4.982 -0.560 291 2HB LEU 35 1HB LEU 35 -5.751 -6.097 -1.832 292 HG LEU 35 HG LEU 35 -6.141 -7.902 0.067 293 1HD1 LEU 35 1HD1 LEU 35 -6.834 -5.672 1.517 294 2HD1 LEU 35 2HD1 LEU 35 -7.433 -7.292 1.846 295 3HD1 LEU 35 3HD1 LEU 35 -8.386 -6.179 0.871 296 1HD2 LEU 35 1HD2 LEU 35 -7.323 -7.528 -2.150 297 2HD2 LEU 35 2HD2 LEU 35 -8.462 -6.503 -1.280 298 3HD2 LEU 35 3HD2 LEU 35 -8.335 -8.217 -0.881 299 H ALA 36 H ALA 36 -4.599 -3.645 0.308 300 HA ALA 36 HA ALA 36 -2.356 -2.700 -1.427 301 1HB ALA 36 1HB ALA 36 -3.862 -1.071 -2.388 302 2HB ALA 36 2HB ALA 36 -5.143 -1.533 -1.271 303 3HB ALA 36 3HB ALA 36 -4.632 -2.649 -2.538 304 H ILE 37 H ILE 37 -2.320 -0.139 -1.083 305 HA ILE 37 HA ILE 37 -2.899 0.561 1.754 306 HB ILE 37 HB ILE 37 -0.232 0.417 0.363 307 1HG1 ILE 37 2HG1 ILE 37 -0.855 -0.036 3.275 308 2HG1 ILE 37 1HG1 ILE 37 -1.250 -1.267 2.076 309 1HG2 ILE 37 1HG2 ILE 37 0.242 1.825 2.719 310 2HG2 ILE 37 2HG2 ILE 37 -1.179 2.621 2.045 311 3HG2 ILE 37 3HG2 ILE 37 0.299 2.498 1.091 312 1HD1 ILE 37 1HD1 ILE 37 1.205 -0.996 3.305 313 2HD1 ILE 37 2HD1 ILE 37 1.457 -0.155 1.776 314 3HD1 ILE 37 3HD1 ILE 37 0.930 -1.837 1.779 315 H GLU 38 H GLU 38 -3.575 2.649 1.951 316 HA GLU 38 HA GLU 38 -4.577 4.234 -0.050 317 1HB GLU 38 2HB GLU 38 -4.006 6.159 1.525 318 2HB GLU 38 1HB GLU 38 -4.836 4.799 2.279 319 1HG GLU 38 2HG GLU 38 -2.760 3.926 3.154 320 2HG GLU 38 1HG GLU 38 -1.826 5.107 2.238 321 H ALA 39 H ALA 39 -3.588 4.791 -1.974 322 HA ALA 39 HA ALA 39 -0.818 4.818 -2.483 323 1HB ALA 39 1HB ALA 39 -2.893 6.766 -3.547 324 2HB ALA 39 2HB ALA 39 -2.676 5.116 -4.128 325 3HB ALA 39 3HB ALA 39 -1.395 6.304 -4.352 326 H THR 40 H THR 40 0.486 5.720 -0.881 327 HA THR 40 HA THR 40 0.123 8.636 -0.272 328 HB THR 40 HB THR 40 0.089 7.629 1.813 329 HG1 THR 40 HG1 THR 40 2.001 8.015 2.714 330 1HG2 THR 40 1HG2 THR 40 0.167 5.330 1.416 331 2HG2 THR 40 2HG2 THR 40 1.705 5.580 2.233 332 3HG2 THR 40 3HG2 THR 40 1.655 5.442 0.476 333 HA PRO 41 HA PRO 41 3.797 9.621 -2.409 334 1HB PRO 41 2HB PRO 41 5.201 11.114 -0.587 335 2HB PRO 41 1HB PRO 41 3.833 11.754 -1.522 336 1HG PRO 41 2HG PRO 41 3.905 10.766 1.289 337 2HG PRO 41 1HG PRO 41 3.051 12.156 0.601 338 1HD PRO 41 2HD PRO 41 1.806 9.825 1.166 339 2HD PRO 41 1HD PRO 41 1.304 10.876 -0.168 340 H ALA 42 H ALA 42 4.634 9.097 1.037 341 HA ALA 42 HA ALA 42 7.131 8.028 0.945 342 1HB ALA 42 1HB ALA 42 5.646 6.269 2.588 343 2HB ALA 42 2HB ALA 42 4.778 7.804 2.591 344 3HB ALA 42 3HB ALA 42 6.473 7.748 3.075 345 H ASN 43 H ASN 43 4.219 5.954 0.437 346 HA ASN 43 HA ASN 43 5.872 3.693 -0.403 347 1HB ASN 43 2HB ASN 43 3.154 4.282 0.375 348 2HB ASN 43 1HB ASN 43 3.141 3.342 -1.118 349 1HD2 ASN 43 1HD2 ASN 43 2.391 2.369 1.611 350 2HD2 ASN 43 2HD2 ASN 43 3.453 1.081 1.953 351 H LEU 44 H LEU 44 3.932 6.156 -2.060 352 HA LEU 44 HA LEU 44 3.962 4.955 -4.670 353 1HB LEU 44 2HB LEU 44 3.405 7.593 -3.400 354 2HB LEU 44 1HB LEU 44 3.733 7.616 -5.133 355 HG LEU 44 HG LEU 44 1.920 6.137 -5.599 356 1HD1 LEU 44 1HD1 LEU 44 0.609 5.077 -3.750 357 2HD1 LEU 44 2HD1 LEU 44 1.784 5.709 -2.597 358 3HD1 LEU 44 3HD1 LEU 44 2.283 4.525 -3.803 359 1HD2 LEU 44 1HD2 LEU 44 1.415 8.563 -4.800 360 2HD2 LEU 44 2HD2 LEU 44 0.797 7.791 -3.340 361 3HD2 LEU 44 3HD2 LEU 44 0.070 7.427 -4.905 362 H LYS 45 H LYS 45 5.784 7.861 -3.625 363 HA LYS 45 HA LYS 45 7.592 8.121 -5.685 364 1HB LYS 45 2HB LYS 45 7.298 9.360 -3.417 365 2HB LYS 45 1HB LYS 45 8.483 8.207 -2.802 366 1HG LYS 45 2HG LYS 45 10.187 9.280 -3.821 367 2HG LYS 45 1HG LYS 45 9.313 9.353 -5.352 368 1HD LYS 45 2HD LYS 45 9.611 11.622 -4.699 369 2HD LYS 45 1HD LYS 45 7.936 11.243 -4.296 370 1HE LYS 45 2HE LYS 45 9.323 10.480 -2.006 371 2HE LYS 45 1HE LYS 45 10.137 11.973 -2.513 372 1HZ LYS 45 1HZ LYS 45 8.017 13.057 -2.727 373 2HZ LYS 45 2HZ LYS 45 8.144 12.409 -1.161 374 3HZ LYS 45 3HZ LYS 45 7.192 11.629 -2.332 375 H ALA 46 H ALA 46 8.032 5.948 -2.870 376 HA ALA 46 HA ALA 46 10.506 4.794 -3.698 377 1HB ALA 46 1HB ALA 46 10.180 3.810 -1.687 378 2HB ALA 46 2HB ALA 46 8.782 2.935 -2.306 379 3HB ALA 46 3HB ALA 46 8.581 4.551 -1.633 380 H LEU 47 H LEU 47 7.138 3.690 -4.225 381 HA LEU 47 HA LEU 47 7.537 1.293 -5.593 382 1HB LEU 47 2HB LEU 47 5.527 3.331 -5.297 383 2HB LEU 47 1HB LEU 47 5.556 2.806 -6.979 384 HG LEU 47 HG LEU 47 4.000 1.447 -5.645 385 1HD1 LEU 47 1HD1 LEU 47 4.598 -0.061 -7.217 386 2HD1 LEU 47 2HD1 LEU 47 5.623 -0.780 -5.976 387 3HD1 LEU 47 3HD1 LEU 47 6.300 0.388 -7.110 388 1HD2 LEU 47 1HD2 LEU 47 4.677 0.155 -3.780 389 2HD2 LEU 47 2HD2 LEU 47 5.436 1.726 -3.524 390 3HD2 LEU 47 3HD2 LEU 47 6.390 0.378 -4.145 391 H GLU 48 H GLU 48 7.395 4.548 -7.100 392 HA GLU 48 HA GLU 48 8.008 3.780 -9.754 393 1HB GLU 48 2HB GLU 48 7.229 6.007 -8.644 394 2HB GLU 48 1HB GLU 48 8.951 6.338 -8.465 395 1HG GLU 48 2HG GLU 48 7.414 5.862 -11.030 396 2HG GLU 48 1HG GLU 48 8.288 7.318 -10.552 397 H ALA 49 H ALA 49 10.181 4.552 -7.036 398 HA ALA 49 HA ALA 49 12.645 4.633 -8.444 399 1HB ALA 49 1HB ALA 49 11.809 4.944 -5.892 400 2HB ALA 49 2HB ALA 49 13.505 4.686 -6.304 401 3HB ALA 49 3HB ALA 49 12.512 3.332 -5.767 402 H GLN 50 H GLN 50 11.038 1.856 -6.854 403 HA GLN 50 HA GLN 50 12.980 -0.104 -7.684 404 1HB GLN 50 2HB GLN 50 11.182 -0.125 -5.825 405 2HB GLN 50 1HB GLN 50 10.050 -0.577 -7.101 406 1HG GLN 50 2HG GLN 50 10.699 -2.703 -6.632 407 2HG GLN 50 1HG GLN 50 12.130 -2.298 -7.580 408 1HE2 GLN 50 1HE2 GLN 50 10.895 -2.214 -4.201 409 2HE2 GLN 50 2HE2 GLN 50 12.422 -2.392 -3.480 410 H LYS 51 H LYS 51 10.044 1.198 -9.162 411 HA LYS 51 HA LYS 51 9.997 -0.814 -11.299 412 1HB LYS 51 2HB LYS 51 8.001 0.345 -10.281 413 2HB LYS 51 1HB LYS 51 8.553 1.842 -11.033 414 1HG LYS 51 2HG LYS 51 8.358 -0.524 -12.820 415 2HG LYS 51 1HG LYS 51 6.831 0.145 -12.242 416 1HD LYS 51 2HD LYS 51 7.207 2.225 -13.247 417 2HD LYS 51 1HD LYS 51 8.952 1.979 -13.327 418 1HE LYS 51 2HE LYS 51 8.492 0.086 -14.978 419 2HE LYS 51 1HE LYS 51 6.821 0.685 -15.050 420 1HZ LYS 51 1HZ LYS 51 7.942 2.964 -15.353 421 2HZ LYS 51 2HZ LYS 51 7.872 1.918 -16.691 422 3HZ LYS 51 3HZ LYS 51 9.315 2.075 -15.806 423 H GLN 52 H GLN 52 11.365 2.368 -10.770 424 HA GLN 52 HA GLN 52 11.787 3.044 -13.560 425 1HB GLN 52 2HB GLN 52 11.702 4.729 -11.817 426 2HB GLN 52 1HB GLN 52 13.018 3.946 -10.940 427 1HG GLN 52 2HG GLN 52 14.174 5.629 -12.058 428 2HG GLN 52 1HG GLN 52 14.331 4.295 -13.200 429 1HE2 GLN 52 1HE2 GLN 52 12.708 4.257 -15.033 430 2HE2 GLN 52 2HE2 GLN 52 12.069 5.730 -15.583 431 H LYS 53 H LYS 53 14.400 2.655 -11.192 432 HA LYS 53 HA LYS 53 16.371 1.849 -13.060 433 1HB LYS 53 2HB LYS 53 16.714 2.723 -10.751 434 2HB LYS 53 1HB LYS 53 16.120 1.192 -10.107 435 1HG LYS 53 2HG LYS 53 18.278 0.511 -10.181 436 2HG LYS 53 1HG LYS 53 18.045 0.388 -11.925 437 1HD LYS 53 2HD LYS 53 18.611 2.931 -11.941 438 2HD LYS 53 1HD LYS 53 19.302 2.621 -10.347 439 1HE LYS 53 2HE LYS 53 20.864 1.019 -11.240 440 2HE LYS 53 1HE LYS 53 20.038 1.009 -12.811 441 1HZ LYS 53 1HZ LYS 53 21.894 2.932 -11.739 442 2HZ LYS 53 2HZ LYS 53 20.486 3.643 -12.370 443 3HZ LYS 53 3HZ LYS 53 21.449 2.643 -13.349 444 H GLU 54 H GLU 54 15.432 0.169 -14.399 445 HA GLU 54 HA GLU 54 14.212 -2.222 -13.543 446 1HB GLU 54 2HB GLU 54 15.137 -1.044 -15.895 447 2HB GLU 54 1HB GLU 54 16.069 -2.537 -15.784 448 1HG GLU 54 2HG GLU 54 14.059 -3.100 -16.956 449 2HG GLU 54 1HG GLU 54 13.861 -3.728 -15.319 450 H GLN 55 H GLN 55 15.044 -3.632 -12.046 451 HA GLN 55 HA GLN 55 17.888 -4.498 -12.362 452 1HB GLN 55 2HB GLN 55 17.147 -2.688 -10.492 453 2HB GLN 55 1HB GLN 55 16.765 -4.170 -9.617 454 1HG GLN 55 2HG GLN 55 18.945 -4.547 -9.207 455 2HG GLN 55 1HG GLN 55 19.326 -4.440 -10.926 456 1HE2 GLN 55 1HE2 GLN 55 21.189 -3.357 -9.162 457 2HE2 GLN 55 2HE2 GLN 55 21.139 -1.660 -9.219 458 H ARG 56 HN ARG 56 14.916 -5.467 -12.712 459 HA ARG 56 HA ARG 56 15.405 -8.165 -11.542 460 1HB ARG 56 2HB ARG 56 14.021 -6.580 -10.067 461 2HB ARG 56 1HB ARG 56 12.778 -6.680 -11.315 462 1HG ARG 56 2HG ARG 56 13.680 -9.337 -10.731 463 2HG ARG 56 1HG ARG 56 13.291 -8.532 -9.210 464 1HD ARG 56 2HD ARG 56 11.411 -8.360 -11.571 465 2HD ARG 56 1HD ARG 56 11.337 -9.720 -10.429 466 HE ARG 56 HE ARG 56 10.888 -6.858 -9.719 467 1HH1 ARG 56 1HH2 ARG 56 11.607 -9.975 -8.536 468 2HH1 ARG 56 2HH2 ARG 56 10.495 -9.892 -7.212 469 1HH2 ARG 56 1HH1 ARG 56 9.177 -6.827 -8.164 470 2HH2 ARG 56 2HH1 ARG 56 9.119 -8.108 -6.999 Start of MODEL 5 1 1H MET 1 1H MET 1 -8.998 8.037 -4.009 2 2H MET 1 2H MET 1 -8.960 9.249 -2.816 3 3H MET 1 3H MET 1 -9.847 7.830 -2.558 4 HA MET 1 HA MET 1 -7.142 8.333 -1.949 5 1HB MET 1 2HB MET 1 -9.136 7.173 -0.732 6 2HB MET 1 1HB MET 1 -8.701 5.749 -1.691 7 1HG MET 1 2HG MET 1 -7.019 5.295 -0.281 8 2HG MET 1 1HG MET 1 -6.293 6.863 -0.635 9 1HE MET 1 1HE MET 1 -6.417 5.019 2.142 10 2HE MET 1 2HE MET 1 -8.049 4.599 1.627 11 3HE MET 1 3HE MET 1 -7.799 5.396 3.182 12 H LYS 2 H LYS 2 -5.629 8.124 -3.672 13 HA LYS 2 HA LYS 2 -5.837 6.214 -5.781 14 1HB LYS 2 2HB LYS 2 -3.726 7.918 -4.534 15 2HB LYS 2 1HB LYS 2 -3.171 6.588 -5.551 16 1HG LYS 2 2HG LYS 2 -4.278 7.410 -7.450 17 2HG LYS 2 1HG LYS 2 -5.324 8.458 -6.492 18 1HD LYS 2 2HD LYS 2 -3.111 9.621 -5.767 19 2HD LYS 2 1HD LYS 2 -2.415 8.820 -7.177 20 1HE LYS 2 2HE LYS 2 -4.363 9.829 -8.523 21 2HE LYS 2 1HE LYS 2 -4.644 10.867 -7.110 22 1HZ LYS 2 1HZ LYS 2 -2.938 11.567 -8.959 23 2HZ LYS 2 2HZ LYS 2 -1.897 10.547 -8.086 24 3HZ LYS 2 3HZ LYS 2 -2.625 11.879 -7.322 25 H VAL 3 H VAL 3 -4.873 4.022 -5.884 26 HA VAL 3 HA VAL 3 -4.216 2.984 -3.192 27 HB VAL 3 HB VAL 3 -6.152 2.317 -5.333 28 1HG1 VAL 3 1HG1 VAL 3 -4.812 0.273 -5.071 29 2HG1 VAL 3 2HG1 VAL 3 -6.456 0.058 -4.462 30 3HG1 VAL 3 3HG1 VAL 3 -5.116 0.294 -3.335 31 1HG2 VAL 3 1HG2 VAL 3 -7.562 2.833 -3.668 32 2HG2 VAL 3 2HG2 VAL 3 -6.143 3.421 -2.805 33 3HG2 VAL 3 3HG2 VAL 3 -6.726 1.776 -2.535 34 H ILE 4 H ILE 4 -2.474 1.800 -2.981 35 HA ILE 4 HA ILE 4 -0.935 0.876 -5.338 36 HB ILE 4 HB ILE 4 -0.514 1.716 -2.503 37 1HG1 ILE 4 2HG1 ILE 4 0.340 2.425 -5.169 38 2HG1 ILE 4 1HG1 ILE 4 0.547 3.340 -3.683 39 1HG2 ILE 4 1HG2 ILE 4 0.340 -0.407 -2.186 40 2HG2 ILE 4 2HG2 ILE 4 1.761 0.529 -2.605 41 3HG2 ILE 4 3HG2 ILE 4 0.996 -0.506 -3.813 42 1HD1 ILE 4 1HD1 ILE 4 2.531 1.710 -3.230 43 2HD1 ILE 4 2HD1 ILE 4 2.758 2.992 -4.417 44 3HD1 ILE 4 3HD1 ILE 4 2.419 1.345 -4.952 45 H PHE 5 H PHE 5 -2.055 -1.144 -5.833 46 HA PHE 5 HA PHE 5 -2.818 -2.982 -3.675 47 1HB PHE 5 2HB PHE 5 -2.557 -3.072 -6.643 48 2HB PHE 5 1HB PHE 5 -2.643 -4.574 -5.775 49 HD1 PHE 5 HD1 PHE 5 -4.608 -2.303 -7.534 50 HD2 PHE 5 HD2 PHE 5 -4.604 -4.551 -3.878 51 HE1 PHE 5 HE1 PHE 5 -7.081 -2.369 -7.567 52 HE2 PHE 5 HE2 PHE 5 -7.040 -4.623 -3.930 53 HZ PHE 5 HZ PHE 5 -8.306 -3.513 -5.745 54 H LEU 6 H LEU 6 -1.257 -4.228 -2.609 55 HA LEU 6 HA LEU 6 1.479 -4.342 -3.601 56 1HB LEU 6 2HB LEU 6 0.128 -5.778 -1.299 57 2HB LEU 6 1HB LEU 6 1.850 -5.468 -1.478 58 HG LEU 6 HG LEU 6 1.348 -3.734 -0.115 59 1HD1 LEU 6 1HD1 LEU 6 1.946 -2.829 -2.436 60 2HD1 LEU 6 2HD1 LEU 6 1.270 -1.698 -1.261 61 3HD1 LEU 6 3HD1 LEU 6 0.247 -2.365 -2.535 62 1HD2 LEU 6 1HD2 LEU 6 -1.097 -2.590 -0.690 63 2HD2 LEU 6 2HD2 LEU 6 -0.759 -3.703 0.632 64 3HD2 LEU 6 3HD2 LEU 6 -1.380 -4.316 -0.892 65 H LYS 7 H LYS 7 -1.326 -6.513 -3.550 66 HA LYS 7 HA LYS 7 0.359 -8.889 -4.219 67 1HB LYS 7 2HB LYS 7 -2.418 -8.278 -3.315 68 2HB LYS 7 1HB LYS 7 -2.131 -9.836 -4.082 69 1HG LYS 7 2HG LYS 7 -1.393 -10.566 -2.087 70 2HG LYS 7 1HG LYS 7 0.019 -9.540 -2.335 71 1HD LYS 7 2HD LYS 7 -0.628 -8.428 -0.475 72 2HD LYS 7 1HD LYS 7 -1.930 -7.759 -1.459 73 1HE LYS 7 2HE LYS 7 -3.497 -8.967 -0.345 74 2HE LYS 7 1HE LYS 7 -2.552 -10.459 -0.506 75 1HZ LYS 7 1HZ LYS 7 -1.493 -10.117 1.441 76 2HZ LYS 7 2HZ LYS 7 -2.859 -9.176 1.809 77 3HZ LYS 7 3HZ LYS 7 -1.437 -8.432 1.250 78 H ASP 8 H ASP 8 -1.743 -10.301 -5.686 79 HA ASP 8 HA ASP 8 -1.314 -9.156 -8.407 80 1HB ASP 8 2HB ASP 8 -2.019 -11.472 -9.068 81 2HB ASP 8 1HB ASP 8 -0.636 -11.457 -7.972 82 H VAL 9 H VAL 9 -3.059 -8.326 -9.551 83 HA VAL 9 HA VAL 9 -5.588 -8.027 -8.187 84 HB VAL 9 HB VAL 9 -3.920 -6.597 -9.735 85 1HG1 VAL 9 1HG1 VAL 9 -6.381 -7.125 -11.420 86 2HG1 VAL 9 2HG1 VAL 9 -4.814 -7.871 -11.735 87 3HG1 VAL 9 3HG1 VAL 9 -4.994 -6.120 -11.847 88 1HG2 VAL 9 1HG2 VAL 9 -6.563 -5.476 -9.831 89 2HG2 VAL 9 2HG2 VAL 9 -5.194 -5.018 -8.815 90 3HG2 VAL 9 3HG2 VAL 9 -6.300 -6.287 -8.287 91 H LYS 10 H LYS 10 -4.611 -10.485 -10.133 92 HA LYS 10 HA LYS 10 -6.898 -10.720 -11.887 93 1HB LYS 10 2HB LYS 10 -4.515 -12.102 -11.368 94 2HB LYS 10 1HB LYS 10 -5.766 -13.231 -10.841 95 1HG LYS 10 2HG LYS 10 -6.883 -12.464 -13.152 96 2HG LYS 10 1HG LYS 10 -5.198 -12.167 -13.575 97 1HD LYS 10 2HD LYS 10 -6.239 -14.781 -12.444 98 2HD LYS 10 1HD LYS 10 -5.971 -14.479 -14.160 99 1HE LYS 10 2HE LYS 10 -3.562 -13.689 -13.090 100 2HE LYS 10 1HE LYS 10 -4.004 -15.039 -12.029 101 1HZ LYS 10 1HZ LYS 10 -4.654 -15.601 -14.748 102 2HZ LYS 10 2HZ LYS 10 -3.689 -16.489 -13.670 103 3HZ LYS 10 3HZ LYS 10 -3.005 -15.236 -14.590 104 H GLY 11 H GLY 11 -8.286 -9.795 -10.048 105 1HA GLY 11 2HA GLY 11 -10.319 -10.516 -8.915 106 2HA GLY 11 1HA GLY 11 -9.487 -12.002 -8.459 107 H LYS 12 H LYS 12 -7.395 -9.303 -8.064 108 HA LYS 12 HA LYS 12 -8.329 -8.724 -5.306 109 1HB LYS 12 2HB LYS 12 -6.013 -10.426 -6.066 110 2HB LYS 12 1HB LYS 12 -5.792 -9.342 -4.691 111 1HG LYS 12 2HG LYS 12 -8.300 -10.394 -4.206 112 2HG LYS 12 1HG LYS 12 -7.445 -11.767 -4.911 113 1HD LYS 12 2HD LYS 12 -5.604 -11.443 -3.282 114 2HD LYS 12 1HD LYS 12 -6.492 -10.107 -2.556 115 1HE LYS 12 2HE LYS 12 -7.320 -13.030 -2.635 116 2HE LYS 12 1HE LYS 12 -6.978 -12.041 -1.202 117 1HZ LYS 12 1HZ LYS 12 -8.773 -10.507 -2.077 118 2HZ LYS 12 2HZ LYS 12 -9.297 -11.989 -1.430 119 3HZ LYS 12 3HZ LYS 12 -9.225 -11.772 -3.113 120 H GLY 13 H GLY 13 -4.960 -8.299 -6.377 121 1HA GLY 13 2HA GLY 13 -5.288 -5.437 -7.007 122 2HA GLY 13 1HA GLY 13 -4.410 -5.797 -5.545 123 H LYS 14 H LYS 14 -3.422 -4.748 -8.240 124 HA LYS 14 HA LYS 14 -1.676 -6.971 -9.066 125 1HB LYS 14 2HB LYS 14 -2.657 -4.453 -10.113 126 2HB LYS 14 1HB LYS 14 -0.917 -4.602 -10.357 127 1HG LYS 14 2HG LYS 14 -1.712 -7.102 -11.033 128 2HG LYS 14 1HG LYS 14 -3.140 -6.185 -11.510 129 1HD LYS 14 2HD LYS 14 -0.508 -5.041 -12.303 130 2HD LYS 14 1HD LYS 14 -1.022 -6.504 -13.147 131 1HE LYS 14 2HE LYS 14 -3.251 -5.364 -13.576 132 2HE LYS 14 1HE LYS 14 -2.515 -3.871 -12.966 133 1HZ LYS 14 1HZ LYS 14 -1.602 -5.526 -15.256 134 2HZ LYS 14 2HZ LYS 14 -0.660 -4.292 -14.564 135 3HZ LYS 14 3HZ LYS 14 -2.146 -3.920 -15.296 136 H LYS 15 H LYS 15 0.525 -7.025 -8.793 137 HA LYS 15 HA LYS 15 1.898 -6.450 -6.580 138 1HB LYS 15 2HB LYS 15 3.840 -6.596 -7.916 139 2HB LYS 15 1HB LYS 15 2.601 -7.358 -8.911 140 1HG LYS 15 2HG LYS 15 3.558 -4.492 -9.132 141 2HG LYS 15 1HG LYS 15 3.911 -5.794 -10.260 142 1HD LYS 15 2HD LYS 15 1.561 -5.979 -10.884 143 2HD LYS 15 1HD LYS 15 1.089 -4.802 -9.656 144 1HE LYS 15 2HE LYS 15 3.100 -4.057 -11.786 145 2HE LYS 15 1HE LYS 15 1.355 -3.936 -12.090 146 1HZ LYS 15 1HZ LYS 15 1.099 -2.317 -10.559 147 2HZ LYS 15 2HZ LYS 15 2.747 -2.025 -10.863 148 3HZ LYS 15 3HZ LYS 15 2.279 -2.950 -9.519 149 H GLY 16 H GLY 16 2.109 -4.695 -5.330 150 1HA GLY 16 2HA GLY 16 1.654 -2.359 -4.787 151 2HA GLY 16 1HA GLY 16 3.252 -2.292 -5.508 152 H GLU 17 H GLU 17 0.015 -2.735 -7.055 153 HA GLU 17 HA GLU 17 0.783 -0.803 -9.120 154 1HB GLU 17 2HB GLU 17 -0.833 -1.865 -10.279 155 2HB GLU 17 1HB GLU 17 -0.904 -2.995 -8.930 156 1HG GLU 17 2HG GLU 17 -2.729 -1.733 -7.916 157 2HG GLU 17 1HG GLU 17 -2.584 -0.472 -9.139 158 H ILE 18 H ILE 18 0.537 1.333 -8.891 159 HA ILE 18 HA ILE 18 -1.311 2.349 -6.750 160 HB ILE 18 HB ILE 18 0.620 4.061 -8.276 161 1HG1 ILE 18 2HG1 ILE 18 2.195 3.138 -6.236 162 2HG1 ILE 18 1HG1 ILE 18 1.377 1.662 -6.743 163 1HG2 ILE 18 1HG2 ILE 18 0.913 4.541 -5.602 164 2HG2 ILE 18 2HG2 ILE 18 -0.756 3.987 -5.681 165 3HG2 ILE 18 3HG2 ILE 18 -0.240 5.370 -6.645 166 1HD1 ILE 18 1HD1 ILE 18 3.241 1.720 -8.166 167 2HD1 ILE 18 2HD1 ILE 18 3.169 3.473 -8.341 168 3HD1 ILE 18 3HD1 ILE 18 1.982 2.458 -9.159 169 H LYS 19 H LYS 19 -3.118 3.179 -7.360 170 HA LYS 19 HA LYS 19 -3.414 5.047 -9.575 171 1HB LYS 19 2HB LYS 19 -3.570 2.616 -10.503 172 2HB LYS 19 1HB LYS 19 -5.095 2.522 -9.616 173 1HG LYS 19 2HG LYS 19 -5.844 3.289 -11.680 174 2HG LYS 19 1HG LYS 19 -5.582 4.818 -10.836 175 1HD LYS 19 2HD LYS 19 -3.079 4.147 -11.916 176 2HD LYS 19 1HD LYS 19 -4.240 3.779 -13.190 177 1HE LYS 19 2HE LYS 19 -4.618 5.979 -13.587 178 2HE LYS 19 1HE LYS 19 -4.843 6.317 -11.860 179 1HZ LYS 19 1HZ LYS 19 -2.846 7.411 -12.636 180 2HZ LYS 19 2HZ LYS 19 -2.239 5.949 -13.253 181 3HZ LYS 19 3HZ LYS 19 -2.421 6.156 -11.578 182 H ASN 20 H ASN 20 -6.396 3.859 -9.196 183 HA ASN 20 HA ASN 20 -6.843 4.575 -6.393 184 1HB ASN 20 2HB ASN 20 -8.446 6.373 -6.890 185 2HB ASN 20 1HB ASN 20 -6.848 6.785 -7.548 186 1HD2 ASN 20 1HD2 ASN 20 -6.518 6.271 -9.943 187 2HD2 ASN 20 2HD2 ASN 20 -7.860 6.372 -10.978 188 H VAL 21 H VAL 21 -8.131 3.139 -5.709 189 HA VAL 21 HA VAL 21 -9.884 1.623 -7.536 190 HB VAL 21 HB VAL 21 -8.359 0.917 -5.494 191 1HG1 VAL 21 1HG1 VAL 21 -9.030 1.272 -3.387 192 2HG1 VAL 21 2HG1 VAL 21 -10.739 1.197 -3.810 193 3HG1 VAL 21 3HG1 VAL 21 -9.817 2.670 -4.116 194 1HG2 VAL 21 1HG2 VAL 21 -11.046 -0.092 -6.180 195 2HG2 VAL 21 2HG2 VAL 21 -10.164 -0.798 -4.826 196 3HG2 VAL 21 3HG2 VAL 21 -9.464 -0.831 -6.444 197 H ALA 22 H ALA 22 -11.887 1.415 -5.315 198 HA ALA 22 HA ALA 22 -13.293 3.939 -5.886 199 1HB ALA 22 1HB ALA 22 -15.034 2.730 -5.071 200 2HB ALA 22 2HB ALA 22 -14.228 2.579 -3.518 201 3HB ALA 22 3HB ALA 22 -13.923 1.394 -4.787 202 H ASP 23 H ASP 23 -12.299 5.712 -5.050 203 HA ASP 23 HA ASP 23 -10.279 6.123 -3.406 204 1HB ASP 23 2HB ASP 23 -12.997 7.458 -3.540 205 2HB ASP 23 1HB ASP 23 -11.658 8.170 -2.663 206 H GLY 24 H GLY 24 -13.474 5.050 -2.227 207 1HA GLY 24 2HA GLY 24 -12.434 5.125 0.563 208 2HA GLY 24 1HA GLY 24 -14.127 4.886 0.114 209 H TYR 25 H TYR 25 -13.574 2.945 -1.958 210 HA TYR 25 HA TYR 25 -13.685 0.424 -0.681 211 1HB TYR 25 2HB TYR 25 -14.158 0.689 -3.028 212 2HB TYR 25 1HB TYR 25 -12.625 1.497 -3.293 213 HD1 TYR 25 HD1 TYR 25 -12.959 -0.254 -5.284 214 HD2 TYR 25 HD2 TYR 25 -11.852 -1.298 -1.276 215 HE1 TYR 25 HE1 TYR 25 -11.994 -2.378 -6.096 216 HE2 TYR 25 HE2 TYR 25 -10.893 -3.351 -2.092 217 HH TYR 25 HH TYR 25 -11.391 -4.550 -5.271 218 H ALA 26 H ALA 26 -11.013 2.119 -2.177 219 HA ALA 26 HA ALA 26 -8.734 0.702 -1.666 220 1HB ALA 26 1HB ALA 26 -9.239 3.582 -0.780 221 2HB ALA 26 2HB ALA 26 -8.945 3.085 -2.448 222 3HB ALA 26 3HB ALA 26 -7.677 2.906 -1.234 223 H ASN 27 H ASN 27 -10.165 2.733 0.975 224 HA ASN 27 HA ASN 27 -8.611 1.209 2.980 225 1HB ASN 27 2HB ASN 27 -9.314 2.970 4.462 226 2HB ASN 27 1HB ASN 27 -8.974 3.732 2.911 227 1HD2 ASN 27 1HD2 ASN 27 -10.568 4.930 1.984 228 2HD2 ASN 27 2HD2 ASN 27 -12.183 4.923 2.471 229 H ASN 28 H ASN 28 -11.433 0.525 1.459 230 HA ASN 28 HA ASN 28 -12.861 -0.420 3.912 231 1HB ASN 28 2HB ASN 28 -13.656 1.064 1.749 232 2HB ASN 28 1HB ASN 28 -14.139 -0.558 1.254 233 1HD2 ASN 28 1HD2 ASN 28 -16.079 1.454 1.895 234 2HD2 ASN 28 2HD2 ASN 28 -16.892 0.975 3.307 235 H PHE 29 H PHE 29 -10.757 -1.630 1.590 236 HA PHE 29 HA PHE 29 -11.604 -4.412 2.132 237 1HB PHE 29 2HB PHE 29 -13.101 -3.878 0.311 238 2HB PHE 29 1HB PHE 29 -11.860 -2.979 -0.518 239 HD1 PHE 29 HD1 PHE 29 -12.721 -4.408 -2.488 240 HD2 PHE 29 HD2 PHE 29 -10.556 -6.063 0.821 241 HE1 PHE 29 HE1 PHE 29 -12.048 -6.326 -3.883 242 HE2 PHE 29 HE2 PHE 29 -9.870 -7.968 -0.575 243 HZ PHE 29 HZ PHE 29 -10.629 -8.123 -2.928 244 H LEU 30 H LEU 30 -9.640 -2.482 -0.107 245 HA LEU 30 HA LEU 30 -7.630 -4.506 -0.453 246 1HB LEU 30 2HB LEU 30 -7.361 -1.535 -0.975 247 2HB LEU 30 1HB LEU 30 -6.572 -2.857 -1.850 248 HG LEU 30 HG LEU 30 -9.503 -2.424 -1.654 249 1HD1 LEU 30 1HD1 LEU 30 -9.153 -0.819 -3.232 250 2HD1 LEU 30 2HD1 LEU 30 -8.902 -2.185 -4.320 251 3HD1 LEU 30 3HD1 LEU 30 -7.519 -1.400 -3.557 252 1HD2 LEU 30 1HD2 LEU 30 -7.967 -4.680 -2.441 253 2HD2 LEU 30 2HD2 LEU 30 -8.798 -4.061 -3.869 254 3HD2 LEU 30 3HD2 LEU 30 -9.718 -4.530 -2.444 255 H PHE 31 H PHE 31 -7.752 -1.537 1.351 256 HA PHE 31 HA PHE 31 -5.104 -1.853 2.507 257 1HB PHE 31 2HB PHE 31 -7.546 -0.214 3.126 258 2HB PHE 31 1HB PHE 31 -5.935 0.110 3.726 259 HD1 PHE 31 HD1 PHE 31 -5.402 -1.200 0.485 260 HD2 PHE 31 HD2 PHE 31 -6.900 2.314 2.466 261 HE1 PHE 31 HE1 PHE 31 -4.841 0.205 -1.487 262 HE2 PHE 31 HE2 PHE 31 -6.333 3.686 0.493 263 HZ PHE 31 HZ PHE 31 -5.292 2.621 -1.467 264 H LYS 32 H LYS 32 -8.459 -2.272 3.652 265 HA LYS 32 HA LYS 32 -7.792 -2.979 6.363 266 1HB LYS 32 2HB LYS 32 -9.945 -2.062 5.479 267 2HB LYS 32 1HB LYS 32 -10.242 -3.610 4.689 268 1HG LYS 32 2HG LYS 32 -11.430 -3.645 6.781 269 2HG LYS 32 1HG LYS 32 -10.030 -4.701 6.964 270 1HD LYS 32 2HD LYS 32 -8.845 -2.532 7.842 271 2HD LYS 32 1HD LYS 32 -10.493 -1.964 8.109 272 1HE LYS 32 2HE LYS 32 -10.987 -3.812 9.576 273 2HE LYS 32 1HE LYS 32 -9.465 -4.622 9.155 274 1HZ LYS 32 1HZ LYS 32 -8.790 -2.044 9.894 275 2HZ LYS 32 2HZ LYS 32 -8.506 -3.466 10.777 276 3HZ LYS 32 3HZ LYS 32 -9.916 -2.559 11.054 277 H GLN 33 H GLN 33 -7.153 -4.714 3.580 278 HA GLN 33 HA GLN 33 -7.282 -7.288 5.131 279 1HB GLN 33 2HB GLN 33 -8.217 -6.614 2.362 280 2HB GLN 33 1HB GLN 33 -7.752 -8.266 2.757 281 1HG GLN 33 2HG GLN 33 -9.339 -7.547 4.903 282 2HG GLN 33 1HG GLN 33 -10.143 -6.763 3.543 283 1HE2 GLN 33 1HE2 GLN 33 -9.524 -8.662 1.490 284 2HE2 GLN 33 2HE2 GLN 33 -10.320 -10.117 1.849 285 H GLY 34 H GLY 34 -5.412 -5.172 3.154 286 1HA GLY 34 2HA GLY 34 -2.996 -5.448 3.082 287 2HA GLY 34 1HA GLY 34 -3.228 -7.186 3.236 288 H LEU 35 H LEU 35 -5.305 -5.587 0.955 289 HA LEU 35 HA LEU 35 -4.053 -7.054 -1.285 290 1HB LEU 35 2HB LEU 35 -6.245 -4.970 -1.135 291 2HB LEU 35 1HB LEU 35 -5.833 -5.851 -2.585 292 HG LEU 35 HG LEU 35 -6.257 -7.920 -0.885 293 1HD1 LEU 35 1HD1 LEU 35 -7.062 -5.917 0.719 294 2HD1 LEU 35 2HD1 LEU 35 -7.854 -7.490 0.726 295 3HD1 LEU 35 3HD1 LEU 35 -8.549 -6.154 -0.189 296 1HD2 LEU 35 1HD2 LEU 35 -8.438 -6.437 -2.384 297 2HD2 LEU 35 2HD2 LEU 35 -8.386 -8.163 -2.043 298 3HD2 LEU 35 3HD2 LEU 35 -7.229 -7.453 -3.168 299 H ALA 36 H ALA 36 -4.746 -3.748 -0.372 300 HA ALA 36 HA ALA 36 -2.392 -2.693 -1.894 301 1HB ALA 36 1HB ALA 36 -5.208 -1.576 -1.752 302 2HB ALA 36 2HB ALA 36 -4.590 -2.510 -3.109 303 3HB ALA 36 3HB ALA 36 -3.880 -0.944 -2.726 304 H ILE 37 H ILE 37 -2.361 -0.181 -1.286 305 HA ILE 37 HA ILE 37 -3.154 0.249 1.566 306 HB ILE 37 HB ILE 37 -0.926 1.170 2.053 307 1HG1 ILE 37 2HG1 ILE 37 -0.437 0.442 -0.832 308 2HG1 ILE 37 1HG1 ILE 37 -0.225 2.008 -0.059 309 1HG2 ILE 37 1HG2 ILE 37 -0.905 -1.613 0.870 310 2HG2 ILE 37 2HG2 ILE 37 -1.258 -1.176 2.540 311 3HG2 ILE 37 3HG2 ILE 37 0.371 -0.960 1.897 312 1HD1 ILE 37 1HD1 ILE 37 1.509 -0.437 0.126 313 2HD1 ILE 37 2HD1 ILE 37 1.479 0.713 1.466 314 3HD1 ILE 37 3HD1 ILE 37 1.977 1.242 -0.142 315 H GLU 38 H GLU 38 -3.143 2.601 2.081 316 HA GLU 38 HA GLU 38 -4.443 4.206 0.137 317 1HB GLU 38 2HB GLU 38 -4.548 4.736 2.481 318 2HB GLU 38 1HB GLU 38 -2.794 4.824 2.606 319 1HG GLU 38 2HG GLU 38 -3.172 6.717 0.723 320 2HG GLU 38 1HG GLU 38 -4.721 6.837 1.557 321 H ALA 39 H ALA 39 -3.420 4.507 -1.900 322 HA ALA 39 HA ALA 39 -0.603 4.661 -2.328 323 1HB ALA 39 1HB ALA 39 -2.553 4.549 -3.996 324 2HB ALA 39 2HB ALA 39 -1.201 5.585 -4.459 325 3HB ALA 39 3HB ALA 39 -2.670 6.294 -3.799 326 H THR 40 H THR 40 0.336 5.946 -0.610 327 HA THR 40 HA THR 40 -0.209 8.888 -0.812 328 HB THR 40 HB THR 40 -0.575 7.372 1.326 329 HG1 THR 40 HG1 THR 40 0.366 9.319 2.524 330 1HG2 THR 40 1HG2 THR 40 1.396 7.389 2.818 331 2HG2 THR 40 2HG2 THR 40 2.369 8.031 1.495 332 3HG2 THR 40 3HG2 THR 40 1.678 6.415 1.375 333 HA PRO 41 HA PRO 41 3.803 9.778 -2.277 334 1HB PRO 41 2HB PRO 41 4.714 11.607 -0.461 335 2HB PRO 41 1HB PRO 41 3.505 12.002 -1.697 336 1HG PRO 41 2HG PRO 41 3.177 11.750 1.181 337 2HG PRO 41 1HG PRO 41 2.084 12.454 -0.017 338 1HD PRO 41 2HD PRO 41 1.988 9.817 1.212 339 2HD PRO 41 1HD PRO 41 0.772 10.617 0.194 340 H ALA 42 H ALA 42 3.950 9.853 1.298 341 HA ALA 42 HA ALA 42 6.461 8.997 1.882 342 1HB ALA 42 1HB ALA 42 3.811 8.766 3.041 343 2HB ALA 42 2HB ALA 42 5.357 9.028 3.848 344 3HB ALA 42 3HB ALA 42 4.813 7.387 3.499 345 H ASN 43 H ASN 43 3.919 6.876 0.562 346 HA ASN 43 HA ASN 43 5.809 4.573 0.628 347 1HB ASN 43 2HB ASN 43 3.148 4.836 1.193 348 2HB ASN 43 1HB ASN 43 3.079 4.288 -0.484 349 1HD2 ASN 43 1HD2 ASN 43 2.613 2.881 2.271 350 2HD2 ASN 43 2HD2 ASN 43 3.526 1.446 2.126 351 H LEU 44 H LEU 44 3.658 6.204 -1.710 352 HA LEU 44 HA LEU 44 4.200 4.932 -4.070 353 1HB LEU 44 2HB LEU 44 3.550 7.641 -3.167 354 2HB LEU 44 1HB LEU 44 4.358 7.626 -4.735 355 HG LEU 44 HG LEU 44 1.890 7.442 -4.967 356 1HD1 LEU 44 1HD1 LEU 44 2.934 4.742 -5.707 357 2HD1 LEU 44 2HD1 LEU 44 3.746 6.151 -6.382 358 3HD1 LEU 44 3HD1 LEU 44 2.026 5.898 -6.681 359 1HD2 LEU 44 1HD2 LEU 44 1.893 4.656 -3.944 360 2HD2 LEU 44 2HD2 LEU 44 0.639 5.893 -3.840 361 3HD2 LEU 44 3HD2 LEU 44 1.997 5.919 -2.715 362 H LYS 45 H LYS 45 6.301 7.463 -2.631 363 HA LYS 45 HA LYS 45 8.303 7.482 -4.645 364 1HB LYS 45 2HB LYS 45 8.115 8.132 -1.719 365 2HB LYS 45 1HB LYS 45 9.685 8.217 -2.520 366 1HG LYS 45 2HG LYS 45 7.786 9.467 -4.233 367 2HG LYS 45 1HG LYS 45 7.545 10.120 -2.612 368 1HD LYS 45 2HD LYS 45 10.298 10.051 -2.826 369 2HD LYS 45 1HD LYS 45 9.797 10.492 -4.460 370 1HE LYS 45 2HE LYS 45 8.268 11.931 -2.418 371 2HE LYS 45 1HE LYS 45 10.010 12.258 -2.325 372 1HZ LYS 45 1HZ LYS 45 9.917 12.446 -4.830 373 2HZ LYS 45 2HZ LYS 45 9.201 13.718 -3.959 374 3HZ LYS 45 3HZ LYS 45 8.229 12.523 -4.677 375 H ALA 46 H ALA 46 7.894 5.363 -1.819 376 HA ALA 46 HA ALA 46 10.480 4.078 -2.044 377 1HB ALA 46 1HB ALA 46 7.915 3.763 -0.578 378 2HB ALA 46 2HB ALA 46 9.568 3.758 0.037 379 3HB ALA 46 3HB ALA 46 8.904 2.310 -0.720 380 H LEU 47 H LEU 47 7.226 3.316 -3.253 381 HA LEU 47 HA LEU 47 7.408 0.753 -4.223 382 1HB LEU 47 2HB LEU 47 6.066 3.236 -4.915 383 2HB LEU 47 1HB LEU 47 6.372 2.274 -6.360 384 HG LEU 47 HG LEU 47 4.211 1.644 -5.431 385 1HD1 LEU 47 1HD1 LEU 47 6.060 -0.110 -6.205 386 2HD1 LEU 47 2HD1 LEU 47 4.510 -0.642 -5.555 387 3HD1 LEU 47 3HD1 LEU 47 5.939 -0.618 -4.521 388 1HD2 LEU 47 1HD2 LEU 47 4.271 0.528 -3.101 389 2HD2 LEU 47 2HD2 LEU 47 4.352 2.289 -3.157 390 3HD2 LEU 47 3HD2 LEU 47 5.819 1.348 -2.895 391 H GLU 48 H GLU 48 8.806 3.638 -5.829 392 HA GLU 48 HA GLU 48 9.948 2.167 -8.042 393 1HB GLU 48 2HB GLU 48 9.474 4.520 -8.227 394 2HB GLU 48 1HB GLU 48 10.444 4.887 -6.800 395 1HG GLU 48 2HG GLU 48 12.476 4.414 -7.917 396 2HG GLU 48 1HG GLU 48 11.655 3.563 -9.226 397 H ALA 49 H ALA 49 11.430 3.571 -5.085 398 HA ALA 49 HA ALA 49 14.082 2.722 -5.507 399 1HB ALA 49 1HB ALA 49 12.355 3.625 -3.344 400 2HB ALA 49 2HB ALA 49 14.070 3.944 -3.602 401 3HB ALA 49 3HB ALA 49 13.562 2.479 -2.762 402 H GLN 50 H GLN 50 11.362 0.922 -4.064 403 HA GLN 50 HA GLN 50 12.695 -1.374 -3.152 404 1HB GLN 50 2HB GLN 50 10.006 -0.637 -4.148 405 2HB GLN 50 1HB GLN 50 10.369 -2.364 -4.193 406 1HG GLN 50 2HG GLN 50 11.325 -1.781 -1.738 407 2HG GLN 50 1HG GLN 50 10.059 -0.556 -1.853 408 1HE2 GLN 50 1HE2 GLN 50 10.640 -3.872 -1.186 409 2HE2 GLN 50 2HE2 GLN 50 9.026 -4.398 -1.214 410 H LYS 51 H LYS 51 11.880 -0.427 -6.457 411 HA LYS 51 HA LYS 51 12.390 -2.933 -7.751 412 1HB LYS 51 2HB LYS 51 11.235 -1.113 -8.851 413 2HB LYS 51 1HB LYS 51 12.605 -0.031 -8.605 414 1HG LYS 51 2HG LYS 51 12.888 -0.704 -10.833 415 2HG LYS 51 1HG LYS 51 13.942 -1.819 -9.964 416 1HD LYS 51 2HD LYS 51 11.117 -2.679 -10.247 417 2HD LYS 51 1HD LYS 51 12.058 -2.630 -11.739 418 1HE LYS 51 2HE LYS 51 13.738 -3.808 -9.769 419 2HE LYS 51 1HE LYS 51 12.156 -4.605 -9.651 420 1HZ LYS 51 1HZ LYS 51 14.001 -4.474 -11.913 421 2HZ LYS 51 2HZ LYS 51 12.341 -4.405 -12.265 422 3HZ LYS 51 3HZ LYS 51 12.980 -5.737 -11.424 423 H GLN 52 H GLN 52 14.492 -0.211 -6.850 424 HA GLN 52 HA GLN 52 16.878 -1.332 -8.096 425 1HB GLN 52 2HB GLN 52 16.033 1.010 -6.509 426 2HB GLN 52 1HB GLN 52 17.693 0.500 -6.204 427 1HG GLN 52 2HG GLN 52 18.307 1.523 -8.111 428 2HG GLN 52 1HG GLN 52 17.334 0.356 -9.006 429 1HE2 GLN 52 1HE2 GLN 52 16.293 2.985 -6.787 430 2HE2 GLN 52 2HE2 GLN 52 15.324 3.779 -7.931 431 H LYS 53 H LYS 53 15.996 -0.766 -4.666 432 HA LYS 53 HA LYS 53 18.030 -2.288 -3.452 433 1HB LYS 53 2HB LYS 53 15.407 -1.160 -2.821 434 2HB LYS 53 1HB LYS 53 15.739 -2.621 -1.890 435 1HG LYS 53 2HG LYS 53 17.839 -1.700 -1.089 436 2HG LYS 53 1HG LYS 53 17.663 -0.290 -2.133 437 1HD LYS 53 2HD LYS 53 15.274 -0.430 -0.652 438 2HD LYS 53 1HD LYS 53 16.569 -0.745 0.506 439 1HE LYS 53 2HE LYS 53 17.433 1.385 -1.205 440 2HE LYS 53 1HE LYS 53 15.810 1.778 -0.608 441 1HZ LYS 53 1HZ LYS 53 17.650 0.562 1.295 442 2HZ LYS 53 2HZ LYS 53 16.482 1.772 1.536 443 3HZ LYS 53 3HZ LYS 53 17.986 2.164 0.850 444 H GLU 54 H GLU 54 14.662 -3.477 -3.625 445 HA GLU 54 HA GLU 54 15.504 -6.257 -3.483 446 1HB GLU 54 2HB GLU 54 13.159 -4.669 -3.190 447 2HB GLU 54 1HB GLU 54 12.806 -5.882 -4.419 448 1HG GLU 54 2HG GLU 54 14.204 -6.739 -1.910 449 2HG GLU 54 1HG GLU 54 12.467 -6.446 -1.859 450 H GLN 55 H GLN 55 15.854 -7.656 -5.192 451 HA GLN 55 HA GLN 55 14.904 -6.935 -7.919 452 1HB GLN 55 2HB GLN 55 17.337 -6.100 -7.154 453 2HB GLN 55 1HB GLN 55 17.764 -7.756 -7.584 454 1HG GLN 55 2HG GLN 55 17.296 -7.448 -9.821 455 2HG GLN 55 1HG GLN 55 16.066 -6.224 -9.503 456 1HE2 GLN 55 1HE2 GLN 55 16.872 -4.019 -8.876 457 2HE2 GLN 55 2HE2 GLN 55 18.414 -3.522 -9.380 458 H ARG 56 HN ARG 56 13.721 -8.956 -6.672 459 HA ARG 56 HA ARG 56 14.853 -11.377 -7.965 460 1HB ARG 56 2HB ARG 56 15.666 -10.841 -5.505 461 2HB ARG 56 1HB ARG 56 14.088 -11.492 -5.064 462 1HG ARG 56 2HG ARG 56 14.583 -13.619 -5.911 463 2HG ARG 56 1HG ARG 56 15.855 -13.005 -6.969 464 1HD ARG 56 2HD ARG 56 15.991 -13.111 -3.933 465 2HD ARG 56 1HD ARG 56 16.864 -14.182 -5.048 466 HE ARG 56 HE ARG 56 17.590 -11.723 -5.976 467 1HH1 ARG 56 1HH2 ARG 56 17.497 -13.164 -2.837 468 2HH1 ARG 56 2HH2 ARG 56 18.772 -12.178 -2.208 469 1HH2 ARG 56 1HH1 ARG 56 19.231 -10.412 -5.149 470 2HH2 ARG 56 2HH1 ARG 56 19.750 -10.626 -3.512 Start of MODEL 6 1 1H MET 1 1H MET 1 -9.192 8.820 -2.749 2 2H MET 1 2H MET 1 -9.964 7.355 -3.118 3 3H MET 1 3H MET 1 -8.825 8.011 -4.195 4 HA MET 1 HA MET 1 -7.342 7.807 -1.968 5 1HB MET 1 2HB MET 1 -9.524 6.765 -1.023 6 2HB MET 1 1HB MET 1 -9.150 5.375 -2.047 7 1HG MET 1 2HG MET 1 -8.205 4.879 0.069 8 2HG MET 1 1HG MET 1 -6.852 5.345 -0.961 9 1HE MET 1 1HE MET 1 -6.113 6.514 2.705 10 2HE MET 1 2HE MET 1 -5.861 5.285 1.467 11 3HE MET 1 3HE MET 1 -7.365 5.306 2.377 12 H LYS 2 H LYS 2 -6.024 7.815 -4.051 13 HA LYS 2 HA LYS 2 -6.063 5.781 -6.005 14 1HB LYS 2 2HB LYS 2 -3.945 7.501 -4.737 15 2HB LYS 2 1HB LYS 2 -3.454 6.248 -5.878 16 1HG LYS 2 2HG LYS 2 -4.696 7.206 -7.641 17 2HG LYS 2 1HG LYS 2 -5.628 8.225 -6.543 18 1HD LYS 2 2HD LYS 2 -2.839 8.789 -6.173 19 2HD LYS 2 1HD LYS 2 -3.209 8.872 -7.894 20 1HE LYS 2 2HE LYS 2 -4.909 10.262 -5.799 21 2HE LYS 2 1HE LYS 2 -3.560 11.057 -6.636 22 1HZ LYS 2 1HZ LYS 2 -6.138 10.217 -7.677 23 2HZ LYS 2 2HZ LYS 2 -4.808 9.873 -8.676 24 3HZ LYS 2 3HZ LYS 2 -5.120 11.472 -8.189 25 H VAL 3 H VAL 3 -4.928 3.600 -5.984 26 HA VAL 3 HA VAL 3 -4.319 2.789 -3.198 27 HB VAL 3 HB VAL 3 -6.184 1.870 -5.311 28 1HG1 VAL 3 1HG1 VAL 3 -4.846 -0.103 -4.812 29 2HG1 VAL 3 2HG1 VAL 3 -6.479 -0.270 -4.156 30 3HG1 VAL 3 3HG1 VAL 3 -5.130 0.121 -3.088 31 1HG2 VAL 3 1HG2 VAL 3 -7.656 2.511 -3.755 32 2HG2 VAL 3 2HG2 VAL 3 -6.287 3.252 -2.937 33 3HG2 VAL 3 3HG2 VAL 3 -6.817 1.630 -2.483 34 H ILE 4 H ILE 4 -2.537 1.676 -2.862 35 HA ILE 4 HA ILE 4 -0.942 0.639 -5.128 36 HB ILE 4 HB ILE 4 -0.585 1.674 -2.351 37 1HG1 ILE 4 2HG1 ILE 4 0.215 2.328 -5.023 38 2HG1 ILE 4 1HG1 ILE 4 0.515 3.248 -3.555 39 1HG2 ILE 4 1HG2 ILE 4 0.956 -0.614 -3.472 40 2HG2 ILE 4 2HG2 ILE 4 0.390 -0.331 -1.830 41 3HG2 ILE 4 3HG2 ILE 4 1.772 0.557 -2.437 42 1HD1 ILE 4 1HD1 ILE 4 2.270 1.095 -4.770 43 2HD1 ILE 4 2HD1 ILE 4 2.531 1.754 -3.157 44 3HD1 ILE 4 3HD1 ILE 4 2.660 2.804 -4.566 45 H PHE 5 H PHE 5 -2.280 -1.377 -5.428 46 HA PHE 5 HA PHE 5 -2.863 -3.113 -3.179 47 1HB PHE 5 2HB PHE 5 -2.597 -3.413 -6.128 48 2HB PHE 5 1HB PHE 5 -2.602 -4.859 -5.146 49 HD1 PHE 5 HD1 PHE 5 -4.596 -5.616 -4.011 50 HD2 PHE 5 HD2 PHE 5 -4.622 -1.950 -6.255 51 HE1 PHE 5 HE1 PHE 5 -7.066 -5.635 -4.007 52 HE2 PHE 5 HE2 PHE 5 -7.092 -1.970 -6.239 53 HZ PHE 5 HZ PHE 5 -8.305 -3.811 -5.131 54 H LEU 6 H LEU 6 -1.210 -3.930 -1.953 55 HA LEU 6 HA LEU 6 1.516 -4.114 -2.995 56 1HB LEU 6 2HB LEU 6 1.958 -4.959 -0.698 57 2HB LEU 6 1HB LEU 6 0.994 -3.482 -0.660 58 HG LEU 6 HG LEU 6 -0.711 -5.815 -0.882 59 1HD1 LEU 6 1HD1 LEU 6 0.127 -7.217 0.668 60 2HD1 LEU 6 2HD1 LEU 6 0.285 -5.900 1.828 61 3HD1 LEU 6 3HD1 LEU 6 1.594 -6.239 0.695 62 1HD2 LEU 6 1HD2 LEU 6 -1.896 -4.712 0.868 63 2HD2 LEU 6 2HD2 LEU 6 -1.203 -3.418 -0.114 64 3HD2 LEU 6 3HD2 LEU 6 -0.444 -3.868 1.415 65 H LYS 7 H LYS 7 -1.275 -6.127 -2.635 66 HA LYS 7 HA LYS 7 0.302 -8.558 -3.398 67 1HB LYS 7 2HB LYS 7 -2.131 -7.991 -1.763 68 2HB LYS 7 1HB LYS 7 -2.093 -9.515 -2.650 69 1HG LYS 7 2HG LYS 7 -0.014 -10.148 -1.593 70 2HG LYS 7 1HG LYS 7 0.115 -8.571 -0.810 71 1HD LYS 7 2HD LYS 7 -2.349 -9.305 0.040 72 2HD LYS 7 1HD LYS 7 -1.599 -10.894 -0.117 73 1HE LYS 7 2HE LYS 7 0.406 -9.749 1.175 74 2HE LYS 7 1HE LYS 7 -0.863 -8.633 1.717 75 1HZ LYS 7 1HZ LYS 7 -2.212 -10.556 2.339 76 2HZ LYS 7 2HZ LYS 7 -0.742 -10.540 3.188 77 3HZ LYS 7 3HZ LYS 7 -0.958 -11.600 1.880 78 H ASP 8 H ASP 8 -1.518 -10.108 -4.502 79 HA ASP 8 HA ASP 8 -2.468 -8.573 -6.884 80 1HB ASP 8 2HB ASP 8 -2.190 -10.757 -8.017 81 2HB ASP 8 1HB ASP 8 -0.711 -10.282 -7.182 82 H VAL 9 H VAL 9 -4.605 -9.095 -7.709 83 HA VAL 9 HA VAL 9 -6.350 -10.641 -5.824 84 HB VAL 9 HB VAL 9 -7.719 -8.444 -7.178 85 1HG1 VAL 9 1HG1 VAL 9 -7.350 -9.520 -4.406 86 2HG1 VAL 9 2HG1 VAL 9 -8.835 -9.309 -5.336 87 3HG1 VAL 9 3HG1 VAL 9 -8.046 -7.911 -4.602 88 1HG2 VAL 9 1HG2 VAL 9 -5.551 -7.619 -5.217 89 2HG2 VAL 9 2HG2 VAL 9 -6.673 -6.561 -6.073 90 3HG2 VAL 9 3HG2 VAL 9 -5.411 -7.412 -6.963 91 H LYS 10 H LYS 10 -8.714 -10.223 -7.432 92 HA LYS 10 HA LYS 10 -8.246 -12.226 -9.512 93 1HB LYS 10 2HB LYS 10 -10.520 -10.712 -8.302 94 2HB LYS 10 1HB LYS 10 -10.774 -11.416 -9.900 95 1HG LYS 10 2HG LYS 10 -9.458 -13.188 -7.922 96 2HG LYS 10 1HG LYS 10 -11.146 -12.793 -7.592 97 1HD LYS 10 2HD LYS 10 -10.141 -13.824 -10.258 98 2HD LYS 10 1HD LYS 10 -10.867 -14.843 -9.014 99 1HE LYS 10 2HE LYS 10 -12.913 -13.366 -9.093 100 2HE LYS 10 1HE LYS 10 -12.194 -12.547 -10.493 101 1HZ LYS 10 1HZ LYS 10 -11.946 -15.343 -10.794 102 2HZ LYS 10 2HZ LYS 10 -12.771 -14.239 -11.785 103 3HZ LYS 10 3HZ LYS 10 -13.569 -14.966 -10.477 104 H GLY 11 H GLY 11 -6.625 -10.766 -10.687 105 1HA GLY 11 2HA GLY 11 -6.107 -9.344 -12.480 106 2HA GLY 11 1HA GLY 11 -7.734 -9.703 -13.061 107 H LYS 12 H LYS 12 -7.562 -8.349 -9.911 108 HA LYS 12 HA LYS 12 -8.827 -5.866 -10.904 109 1HB LYS 12 2HB LYS 12 -9.609 -7.362 -8.965 110 2HB LYS 12 1HB LYS 12 -8.243 -6.711 -8.057 111 1HG LYS 12 2HG LYS 12 -9.115 -4.534 -8.054 112 2HG LYS 12 1HG LYS 12 -10.156 -4.849 -9.443 113 1HD LYS 12 2HD LYS 12 -10.951 -6.709 -7.493 114 2HD LYS 12 1HD LYS 12 -10.733 -5.191 -6.623 115 1HE LYS 12 2HE LYS 12 -12.556 -4.247 -7.609 116 2HE LYS 12 1HE LYS 12 -12.114 -4.875 -9.212 117 1HZ LYS 12 1HZ LYS 12 -14.149 -5.863 -7.907 118 2HZ LYS 12 2HZ LYS 12 -12.939 -6.782 -7.144 119 3HZ LYS 12 3HZ LYS 12 -13.136 -6.864 -8.829 120 H GLY 13 H GLY 13 -5.960 -6.904 -9.073 121 1HA GLY 13 2HA GLY 13 -4.585 -4.434 -9.889 122 2HA GLY 13 1HA GLY 13 -4.786 -4.656 -8.147 123 H LYS 14 H LYS 14 -2.263 -4.599 -9.490 124 HA LYS 14 HA LYS 14 -1.355 -7.419 -9.134 125 1HB LYS 14 2HB LYS 14 0.674 -6.215 -10.504 126 2HB LYS 14 1HB LYS 14 -0.638 -7.100 -11.262 127 1HG LYS 14 2HG LYS 14 -1.334 -4.297 -10.765 128 2HG LYS 14 1HG LYS 14 0.076 -4.472 -11.789 129 1HD LYS 14 2HD LYS 14 -1.215 -6.122 -13.178 130 2HD LYS 14 1HD LYS 14 -2.649 -5.711 -12.235 131 1HE LYS 14 2HE LYS 14 -1.237 -3.331 -13.222 132 2HE LYS 14 1HE LYS 14 -1.832 -4.377 -14.526 133 1HZ LYS 14 1HZ LYS 14 -3.992 -4.355 -13.652 134 2HZ LYS 14 2HZ LYS 14 -3.483 -2.735 -13.564 135 3HZ LYS 14 3HZ LYS 14 -3.487 -3.705 -12.169 136 H LYS 15 H LYS 15 1.114 -7.421 -8.538 137 HA LYS 15 HA LYS 15 1.584 -6.718 -5.951 138 1HB LYS 15 2HB LYS 15 3.903 -6.953 -6.476 139 2HB LYS 15 1HB LYS 15 3.050 -7.917 -7.684 140 1HG LYS 15 2HG LYS 15 3.966 -5.055 -8.095 141 2HG LYS 15 1HG LYS 15 4.820 -6.475 -8.697 142 1HD LYS 15 2HD LYS 15 2.570 -7.105 -9.817 143 2HD LYS 15 1HD LYS 15 2.110 -5.430 -9.516 144 1HE LYS 15 2HE LYS 15 3.054 -5.449 -11.722 145 2HE LYS 15 1HE LYS 15 4.330 -4.795 -10.680 146 1HZ LYS 15 1HZ LYS 15 5.199 -6.577 -12.058 147 2HZ LYS 15 2HZ LYS 15 4.015 -7.644 -11.469 148 3HZ LYS 15 3HZ LYS 15 5.212 -7.038 -10.427 149 H GLY 16 H GLY 16 1.902 -4.905 -4.765 150 1HA GLY 16 2HA GLY 16 1.538 -2.556 -4.386 151 2HA GLY 16 1HA GLY 16 3.159 -2.542 -5.056 152 H GLU 17 H GLU 17 0.103 -3.212 -6.799 153 HA GLU 17 HA GLU 17 0.890 -1.312 -8.865 154 1HB GLU 17 2HB GLU 17 -1.057 -2.102 -9.990 155 2HB GLU 17 1HB GLU 17 -0.447 -3.489 -9.100 156 1HG GLU 17 2HG GLU 17 -2.356 -3.654 -7.925 157 2HG GLU 17 1HG GLU 17 -2.292 -1.964 -7.460 158 H ILE 18 H ILE 18 0.349 0.828 -8.966 159 HA ILE 18 HA ILE 18 -1.438 1.886 -6.779 160 HB ILE 18 HB ILE 18 0.491 3.485 -8.446 161 1HG1 ILE 18 2HG1 ILE 18 1.964 2.876 -6.236 162 2HG1 ILE 18 1HG1 ILE 18 1.176 1.328 -6.548 163 1HG2 ILE 18 1HG2 ILE 18 -1.006 3.712 -5.924 164 2HG2 ILE 18 2HG2 ILE 18 -0.486 4.970 -7.043 165 3HG2 ILE 18 3HG2 ILE 18 0.645 4.315 -5.862 166 1HD1 ILE 18 1HD1 ILE 18 3.438 1.819 -7.733 167 2HD1 ILE 18 2HD1 ILE 18 2.490 2.881 -8.773 168 3HD1 ILE 18 3HD1 ILE 18 2.125 1.158 -8.705 169 H LYS 19 H LYS 19 -3.298 2.633 -7.416 170 HA LYS 19 HA LYS 19 -3.634 4.354 -9.748 171 1HB LYS 19 2HB LYS 19 -3.736 1.882 -10.526 172 2HB LYS 19 1HB LYS 19 -5.231 1.773 -9.595 173 1HG LYS 19 2HG LYS 19 -5.883 3.945 -10.927 174 2HG LYS 19 1HG LYS 19 -4.652 3.387 -12.060 175 1HD LYS 19 2HD LYS 19 -6.345 1.182 -11.260 176 2HD LYS 19 1HD LYS 19 -7.324 2.505 -11.892 177 1HE LYS 19 2HE LYS 19 -5.511 2.576 -13.802 178 2HE LYS 19 1HE LYS 19 -5.190 0.908 -13.285 179 1HZ LYS 19 1HZ LYS 19 -7.065 1.350 -14.997 180 2HZ LYS 19 2HZ LYS 19 -7.965 1.828 -13.636 181 3HZ LYS 19 3HZ LYS 19 -7.338 0.253 -13.733 182 H ASN 20 H ASN 20 -6.570 3.099 -9.267 183 HA ASN 20 HA ASN 20 -7.100 4.057 -6.548 184 1HB ASN 20 2HB ASN 20 -8.651 5.786 -7.173 185 2HB ASN 20 1HB ASN 20 -7.176 6.097 -8.114 186 1HD2 ASN 20 1HD2 ASN 20 -10.401 6.214 -8.537 187 2HD2 ASN 20 2HD2 ASN 20 -10.531 5.707 -10.152 188 H VAL 21 H VAL 21 -8.320 2.568 -5.780 189 HA VAL 21 HA VAL 21 -9.909 0.792 -7.525 190 HB VAL 21 HB VAL 21 -8.404 0.349 -5.414 191 1HG1 VAL 21 1HG1 VAL 21 -9.066 0.961 -3.376 192 2HG1 VAL 21 2HG1 VAL 21 -10.761 0.624 -3.727 193 3HG1 VAL 21 3HG1 VAL 21 -10.037 2.146 -4.247 194 1HG2 VAL 21 1HG2 VAL 21 -11.072 -0.853 -5.909 195 2HG2 VAL 21 2HG2 VAL 21 -10.044 -1.421 -4.594 196 3HG2 VAL 21 3HG2 VAL 21 -9.473 -1.511 -6.258 197 H ALA 22 H ALA 22 -11.907 0.687 -5.200 198 HA ALA 22 HA ALA 22 -13.524 2.992 -6.102 199 1HB ALA 22 1HB ALA 22 -15.163 1.729 -5.165 200 2HB ALA 22 2HB ALA 22 -14.378 1.851 -3.598 201 3HB ALA 22 3HB ALA 22 -13.940 0.550 -4.701 202 H ASP 23 H ASP 23 -12.678 4.937 -5.468 203 HA ASP 23 HA ASP 23 -10.703 5.671 -3.848 204 1HB ASP 23 2HB ASP 23 -13.267 6.765 -4.716 205 2HB ASP 23 1HB ASP 23 -12.748 7.486 -3.203 206 H GLY 24 H GLY 24 -13.833 4.498 -2.587 207 1HA GLY 24 2HA GLY 24 -12.875 5.003 0.191 208 2HA GLY 24 1HA GLY 24 -14.522 4.540 -0.249 209 H TYR 25 H TYR 25 -13.810 2.434 -2.030 210 HA TYR 25 HA TYR 25 -13.711 0.082 -0.488 211 1HB TYR 25 2HB TYR 25 -14.173 0.099 -2.849 212 2HB TYR 25 1HB TYR 25 -12.687 0.967 -3.183 213 HD1 TYR 25 HD1 TYR 25 -13.002 -1.023 -4.980 214 HD2 TYR 25 HD2 TYR 25 -11.674 -1.545 -0.928 215 HE1 TYR 25 HE1 TYR 25 -11.922 -3.150 -5.603 216 HE2 TYR 25 HE2 TYR 25 -10.613 -3.630 -1.569 217 HH TYR 25 HH TYR 25 -10.196 -4.610 -4.832 218 H ALA 26 H ALA 26 -11.133 1.683 -2.227 219 HA ALA 26 HA ALA 26 -8.773 0.499 -1.584 220 1HB ALA 26 1HB ALA 26 -7.867 2.831 -1.393 221 2HB ALA 26 2HB ALA 26 -9.493 3.432 -1.084 222 3HB ALA 26 3HB ALA 26 -9.099 2.737 -2.650 223 H ASN 27 H ASN 27 -10.178 2.836 0.801 224 HA ASN 27 HA ASN 27 -8.492 1.639 2.902 225 1HB ASN 27 2HB ASN 27 -8.671 4.049 2.726 226 2HB ASN 27 1HB ASN 27 -10.429 3.967 2.801 227 1HD2 ASN 27 1HD2 ASN 27 -11.353 4.182 4.785 228 2HD2 ASN 27 2HD2 ASN 27 -10.533 4.025 6.251 229 H ASN 28 H ASN 28 -10.738 -0.045 1.879 230 HA ASN 28 HA ASN 28 -12.009 -0.531 4.528 231 1HB ASN 28 2HB ASN 28 -13.266 0.605 2.143 232 2HB ASN 28 1HB ASN 28 -14.101 -0.840 2.710 233 1HD2 ASN 28 1HD2 ASN 28 -14.247 -0.795 5.331 234 2HD2 ASN 28 2HD2 ASN 28 -14.804 0.676 5.969 235 H PHE 29 H PHE 29 -10.270 -1.787 2.110 236 HA PHE 29 HA PHE 29 -11.118 -4.543 2.685 237 1HB PHE 29 2HB PHE 29 -12.732 -3.956 0.963 238 2HB PHE 29 1HB PHE 29 -11.507 -3.134 0.027 239 HD1 PHE 29 HD1 PHE 29 -10.162 -6.172 1.348 240 HD2 PHE 29 HD2 PHE 29 -12.647 -4.636 -1.785 241 HE1 PHE 29 HE1 PHE 29 -9.643 -8.146 -0.021 242 HE2 PHE 29 HE2 PHE 29 -12.144 -6.622 -3.154 243 HZ PHE 29 HZ PHE 29 -10.658 -8.401 -2.269 244 H LEU 30 H LEU 30 -9.216 -2.451 0.525 245 HA LEU 30 HA LEU 30 -7.107 -4.485 0.244 246 1HB LEU 30 2HB LEU 30 -7.077 -1.613 -0.721 247 2HB LEU 30 1HB LEU 30 -6.309 -3.015 -1.473 248 HG LEU 30 HG LEU 30 -9.255 -2.715 -1.107 249 1HD1 LEU 30 1HD1 LEU 30 -9.227 -1.215 -2.794 250 2HD1 LEU 30 2HD1 LEU 30 -8.733 -2.540 -3.844 251 3HD1 LEU 30 3HD1 LEU 30 -7.515 -1.507 -3.097 252 1HD2 LEU 30 1HD2 LEU 30 -8.633 -4.372 -3.322 253 2HD2 LEU 30 2HD2 LEU 30 -9.347 -4.868 -1.791 254 3HD2 LEU 30 3HD2 LEU 30 -7.605 -4.889 -1.999 255 H PHE 31 H PHE 31 -7.660 -1.423 1.776 256 HA PHE 31 HA PHE 31 -4.939 -1.168 2.795 257 1HB PHE 31 2HB PHE 31 -7.608 0.137 3.206 258 2HB PHE 31 1HB PHE 31 -6.110 0.759 3.873 259 HD1 PHE 31 HD1 PHE 31 -7.065 2.725 2.367 260 HD2 PHE 31 HD2 PHE 31 -5.340 -0.876 0.789 261 HE1 PHE 31 HE1 PHE 31 -6.517 3.910 0.277 262 HE2 PHE 31 HE2 PHE 31 -4.787 0.331 -1.295 263 HZ PHE 31 HZ PHE 31 -5.371 2.712 -1.544 264 H LYS 32 H LYS 32 -8.152 -1.776 4.276 265 HA LYS 32 HA LYS 32 -7.113 -2.186 6.936 266 1HB LYS 32 2HB LYS 32 -9.693 -2.904 5.516 267 2HB LYS 32 1HB LYS 32 -9.458 -3.082 7.256 268 1HG LYS 32 2HG LYS 32 -8.597 -0.456 6.391 269 2HG LYS 32 1HG LYS 32 -10.263 -0.751 5.894 270 1HD LYS 32 2HD LYS 32 -10.335 -1.751 8.416 271 2HD LYS 32 1HD LYS 32 -9.115 -0.497 8.618 272 1HE LYS 32 2HE LYS 32 -11.523 0.255 9.038 273 2HE LYS 32 1HE LYS 32 -10.643 1.216 7.834 274 1HZ LYS 32 1HZ LYS 32 -13.001 -0.082 7.404 275 2HZ LYS 32 2HZ LYS 32 -11.857 -1.137 6.723 276 3HZ LYS 32 3HZ LYS 32 -11.947 0.478 6.199 277 H GLN 33 H GLN 33 -6.659 -4.074 4.227 278 HA GLN 33 HA GLN 33 -6.500 -6.556 5.903 279 1HB GLN 33 2HB GLN 33 -7.348 -6.193 3.018 280 2HB GLN 33 1HB GLN 33 -7.168 -7.756 3.816 281 1HG GLN 33 2HG GLN 33 -8.747 -6.300 5.586 282 2HG GLN 33 1HG GLN 33 -9.358 -5.820 4.001 283 1HE2 GLN 33 1HE2 GLN 33 -8.624 -8.429 2.739 284 2HE2 GLN 33 2HE2 GLN 33 -9.750 -9.556 3.324 285 H GLY 34 H GLY 34 -5.514 -7.153 2.733 286 1HA GLY 34 2HA GLY 34 -2.724 -6.258 3.200 287 2HA GLY 34 1HA GLY 34 -3.006 -7.989 3.034 288 H LEU 35 H LEU 35 -5.121 -6.046 1.139 289 HA LEU 35 HA LEU 35 -3.839 -7.040 -1.322 290 1HB LEU 35 2HB LEU 35 -6.136 -5.117 -0.987 291 2HB LEU 35 1HB LEU 35 -5.775 -6.089 -2.399 292 HG LEU 35 HG LEU 35 -5.979 -7.960 -0.360 293 1HD1 LEU 35 1HD1 LEU 35 -8.060 -7.484 0.784 294 2HD1 LEU 35 2HD1 LEU 35 -8.268 -5.990 -0.129 295 3HD1 LEU 35 3HD1 LEU 35 -6.971 -6.126 1.059 296 1HD2 LEU 35 1HD2 LEU 35 -8.385 -8.129 -1.520 297 2HD2 LEU 35 2HD2 LEU 35 -6.913 -8.567 -2.388 298 3HD2 LEU 35 3HD2 LEU 35 -7.645 -6.982 -2.634 299 H ALA 36 H ALA 36 -4.723 -3.850 0.012 300 HA ALA 36 HA ALA 36 -2.405 -2.647 -1.471 301 1HB ALA 36 1HB ALA 36 -5.194 -1.494 -1.360 302 2HB ALA 36 2HB ALA 36 -4.670 -2.561 -2.664 303 3HB ALA 36 3HB ALA 36 -3.867 -1.012 -2.416 304 H ILE 37 H ILE 37 -2.376 -0.223 -0.961 305 HA ILE 37 HA ILE 37 -3.288 0.447 1.782 306 HB ILE 37 HB ILE 37 -0.958 1.292 2.284 307 1HG1 ILE 37 2HG1 ILE 37 -0.562 0.044 -0.399 308 2HG1 ILE 37 1HG1 ILE 37 0.113 1.537 0.232 309 1HG2 ILE 37 1HG2 ILE 37 -1.957 -0.982 2.949 310 2HG2 ILE 37 2HG2 ILE 37 -0.201 -0.834 3.019 311 3HG2 ILE 37 3HG2 ILE 37 -0.965 -1.663 1.661 312 1HD1 ILE 37 1HD1 ILE 37 2.014 0.276 0.443 313 2HD1 ILE 37 2HD1 ILE 37 1.123 -1.244 0.492 314 3HD1 ILE 37 3HD1 ILE 37 1.245 -0.246 1.940 315 H GLU 38 H GLU 38 -3.515 2.684 2.038 316 HA GLU 38 HA GLU 38 -4.493 4.306 0.073 317 1HB GLU 38 2HB GLU 38 -4.382 4.942 2.423 318 2HB GLU 38 1HB GLU 38 -2.626 5.045 2.344 319 1HG GLU 38 2HG GLU 38 -3.040 6.794 0.452 320 2HG GLU 38 1HG GLU 38 -4.667 6.894 1.119 321 H ALA 39 H ALA 39 -3.600 4.527 -2.019 322 HA ALA 39 HA ALA 39 -0.803 4.454 -2.613 323 1HB ALA 39 1HB ALA 39 -1.529 5.635 -4.691 324 2HB ALA 39 2HB ALA 39 -3.069 5.978 -3.910 325 3HB ALA 39 3HB ALA 39 -2.616 4.315 -4.260 326 H THR 40 H THR 40 0.488 5.748 -1.201 327 HA THR 40 HA THR 40 0.017 8.718 -1.333 328 HB THR 40 HB THR 40 -0.165 8.313 0.933 329 HG1 THR 40 HG1 THR 40 2.618 8.063 0.953 330 1HG2 THR 40 1HG2 THR 40 1.438 5.864 0.311 331 2HG2 THR 40 2HG2 THR 40 -0.060 6.017 1.229 332 3HG2 THR 40 3HG2 THR 40 1.473 6.478 1.961 333 HA PRO 41 HA PRO 41 3.890 9.292 -3.276 334 1HB PRO 41 2HB PRO 41 5.125 11.157 -1.679 335 2HB PRO 41 1HB PRO 41 3.861 11.578 -2.855 336 1HG PRO 41 2HG PRO 41 3.628 11.130 0.088 337 2HG PRO 41 1HG PRO 41 2.912 12.404 -0.918 338 1HD PRO 41 2HD PRO 41 1.466 10.292 -0.127 339 2HD PRO 41 1HD PRO 41 1.246 11.012 -1.734 340 H ALA 42 H ALA 42 3.971 9.145 0.296 341 HA ALA 42 HA ALA 42 6.481 8.273 0.945 342 1HB ALA 42 1HB ALA 42 4.324 8.437 2.330 343 2HB ALA 42 2HB ALA 42 5.425 7.129 2.766 344 3HB ALA 42 3HB ALA 42 3.987 6.787 1.805 345 H ASN 43 H ASN 43 3.924 5.986 -0.147 346 HA ASN 43 HA ASN 43 5.970 3.922 -0.706 347 1HB ASN 43 2HB ASN 43 2.974 4.146 -0.626 348 2HB ASN 43 1HB ASN 43 3.711 2.772 -1.455 349 1HD2 ASN 43 1HD2 ASN 43 2.246 2.170 0.821 350 2HD2 ASN 43 2HD2 ASN 43 3.286 1.773 2.112 351 H LEU 44 H LEU 44 3.511 5.762 -2.532 352 HA LEU 44 HA LEU 44 3.661 4.848 -5.089 353 1HB LEU 44 2HB LEU 44 3.460 7.499 -3.789 354 2HB LEU 44 1HB LEU 44 3.893 7.549 -5.497 355 HG LEU 44 HG LEU 44 1.407 7.606 -5.040 356 1HD1 LEU 44 1HD1 LEU 44 2.245 5.127 -6.555 357 2HD1 LEU 44 2HD1 LEU 44 2.542 6.752 -7.172 358 3HD1 LEU 44 3HD1 LEU 44 0.889 6.203 -6.894 359 1HD2 LEU 44 1HD2 LEU 44 0.294 5.649 -4.246 360 2HD2 LEU 44 2HD2 LEU 44 1.631 5.906 -3.129 361 3HD2 LEU 44 3HD2 LEU 44 1.755 4.673 -4.380 362 H LYS 45 H LYS 45 5.933 7.449 -4.099 363 HA LYS 45 HA LYS 45 7.706 7.192 -6.280 364 1HB LYS 45 2HB LYS 45 7.607 9.018 -4.580 365 2HB LYS 45 1HB LYS 45 8.330 7.922 -3.401 366 1HG LYS 45 2HG LYS 45 10.406 8.147 -4.291 367 2HG LYS 45 1HG LYS 45 9.800 8.077 -5.948 368 1HD LYS 45 2HD LYS 45 10.785 10.299 -5.408 369 2HD LYS 45 1HD LYS 45 9.072 10.410 -5.809 370 1HE LYS 45 2HE LYS 45 9.442 9.910 -2.962 371 2HE LYS 45 1HE LYS 45 10.271 11.393 -3.475 372 1HZ LYS 45 1HZ LYS 45 8.187 12.231 -3.301 373 2HZ LYS 45 2HZ LYS 45 7.430 10.732 -3.558 374 3HZ LYS 45 3HZ LYS 45 8.042 11.614 -4.874 375 H ALA 46 H ALA 46 7.650 5.410 -3.195 376 HA ALA 46 HA ALA 46 10.174 4.070 -3.521 377 1HB ALA 46 1HB ALA 46 9.040 2.479 -1.858 378 2HB ALA 46 2HB ALA 46 7.610 3.500 -2.017 379 3HB ALA 46 3HB ALA 46 9.110 4.175 -1.380 380 H LEU 47 H LEU 47 6.850 3.221 -4.489 381 HA LEU 47 HA LEU 47 7.067 0.583 -5.283 382 1HB LEU 47 2HB LEU 47 5.529 2.942 -6.001 383 2HB LEU 47 1HB LEU 47 5.746 1.886 -7.398 384 HG LEU 47 HG LEU 47 3.709 1.401 -5.921 385 1HD1 LEU 47 1HD1 LEU 47 4.118 -1.072 -6.010 386 2HD1 LEU 47 2HD1 LEU 47 5.802 -0.740 -6.409 387 3HD1 LEU 47 3HD1 LEU 47 4.519 -0.247 -7.515 388 1HD2 LEU 47 1HD2 LEU 47 5.394 1.659 -3.848 389 2HD2 LEU 47 2HD2 LEU 47 5.575 -0.076 -4.112 390 3HD2 LEU 47 3HD2 LEU 47 3.984 0.604 -3.767 391 H GLU 48 H GLU 48 8.039 3.402 -7.289 392 HA GLU 48 HA GLU 48 8.988 2.120 -9.568 393 1HB GLU 48 2HB GLU 48 9.020 4.532 -9.288 394 2HB GLU 48 1HB GLU 48 10.169 4.409 -7.957 395 1HG GLU 48 2HG GLU 48 11.690 3.199 -9.698 396 2HG GLU 48 1HG GLU 48 10.636 3.950 -10.896 397 H ALA 49 H ALA 49 10.418 2.197 -6.345 398 HA ALA 49 HA ALA 49 12.890 0.843 -7.208 399 1HB ALA 49 1HB ALA 49 12.306 0.868 -4.356 400 2HB ALA 49 2HB ALA 49 12.025 2.455 -5.074 401 3HB ALA 49 3HB ALA 49 13.605 1.682 -5.229 402 H GLN 50 H GLN 50 10.036 0.052 -5.180 403 HA GLN 50 HA GLN 50 10.645 -2.617 -4.541 404 1HB GLN 50 2HB GLN 50 8.706 -1.333 -3.706 405 2HB GLN 50 1HB GLN 50 7.990 -1.362 -5.320 406 1HG GLN 50 2HG GLN 50 8.774 -3.991 -4.176 407 2HG GLN 50 1HG GLN 50 7.386 -3.194 -3.431 408 1HE2 GLN 50 1HE2 GLN 50 5.937 -4.837 -4.378 409 2HE2 GLN 50 2HE2 GLN 50 5.540 -4.789 -6.027 410 H LYS 51 H LYS 51 9.255 -1.275 -7.523 411 HA LYS 51 HA LYS 51 8.681 -3.743 -8.852 412 1HB LYS 51 2HB LYS 51 7.839 -1.573 -9.590 413 2HB LYS 51 1HB LYS 51 9.483 -0.986 -9.840 414 1HG LYS 51 2HG LYS 51 8.366 -1.708 -11.965 415 2HG LYS 51 1HG LYS 51 9.848 -2.598 -11.619 416 1HD LYS 51 2HD LYS 51 7.910 -4.041 -12.353 417 2HD LYS 51 1HD LYS 51 8.612 -4.494 -10.799 418 1HE LYS 51 2HE LYS 51 6.169 -4.487 -10.605 419 2HE LYS 51 1HE LYS 51 6.818 -3.127 -9.669 420 1HZ LYS 51 1HZ LYS 51 6.291 -2.689 -12.511 421 2HZ LYS 51 2HZ LYS 51 6.149 -1.611 -11.205 422 3HZ LYS 51 3HZ LYS 51 4.945 -2.778 -11.482 423 H GLN 52 H GLN 52 11.530 -1.585 -9.109 424 HA GLN 52 HA GLN 52 13.048 -3.676 -10.548 425 1HB GLN 52 2HB GLN 52 12.983 -0.836 -10.361 426 2HB GLN 52 1HB GLN 52 14.573 -1.355 -9.799 427 1HG GLN 52 2HG GLN 52 14.735 -1.072 -12.181 428 2HG GLN 52 1HG GLN 52 14.719 -2.809 -11.871 429 1HE2 GLN 52 1HE2 GLN 52 13.027 -4.026 -12.804 430 2HE2 GLN 52 2HE2 GLN 52 11.724 -3.341 -13.648 431 H LYS 53 H LYS 53 13.369 -5.267 -8.893 432 HA LYS 53 HA LYS 53 14.539 -4.540 -6.306 433 1HB LYS 53 2HB LYS 53 12.954 -6.499 -7.050 434 2HB LYS 53 1HB LYS 53 14.458 -7.295 -7.512 435 1HG LYS 53 2HG LYS 53 14.023 -7.968 -5.257 436 2HG LYS 53 1HG LYS 53 15.309 -6.762 -5.168 437 1HD LYS 53 2HD LYS 53 12.581 -5.641 -5.071 438 2HD LYS 53 1HD LYS 53 13.000 -6.664 -3.696 439 1HE LYS 53 2HE LYS 53 15.127 -4.769 -4.509 440 2HE LYS 53 1HE LYS 53 13.661 -4.022 -3.840 441 1HZ LYS 53 1HZ LYS 53 14.720 -6.434 -2.554 442 2HZ LYS 53 2HZ LYS 53 13.867 -5.132 -1.870 443 3HZ LYS 53 3HZ LYS 53 15.513 -4.964 -2.261 444 H GLU 54 H GLU 54 16.413 -3.386 -7.527 445 HA GLU 54 HA GLU 54 18.533 -5.372 -8.257 446 1HB GLU 54 2HB GLU 54 19.444 -3.267 -9.469 447 2HB GLU 54 1HB GLU 54 18.017 -4.048 -10.146 448 1HG GLU 54 2HG GLU 54 16.554 -2.422 -9.111 449 2HG GLU 54 1HG GLU 54 17.903 -1.705 -8.230 450 H GLN 55 H GLN 55 20.689 -4.895 -7.513 451 HA GLN 55 HA GLN 55 20.902 -2.874 -5.310 452 1HB GLN 55 2HB GLN 55 20.431 -5.435 -4.756 453 2HB GLN 55 1HB GLN 55 22.164 -5.585 -5.058 454 1HG GLN 55 2HG GLN 55 22.271 -5.046 -2.828 455 2HG GLN 55 1HG GLN 55 22.197 -3.406 -3.476 456 1HE2 GLN 55 1HE2 GLN 55 21.212 -3.195 -1.101 457 2HE2 GLN 55 2HE2 GLN 55 19.524 -3.343 -1.006 458 H ARG 56 HN ARG 56 22.426 -4.917 -7.717 459 HA ARG 56 HA ARG 56 25.145 -4.410 -7.442 460 1HB ARG 56 2HB ARG 56 23.398 -5.573 -9.207 461 2HB ARG 56 1HB ARG 56 24.009 -4.225 -10.165 462 1HG ARG 56 2HG ARG 56 26.173 -5.512 -8.729 463 2HG ARG 56 1HG ARG 56 25.293 -6.687 -9.707 464 1HD ARG 56 2HD ARG 56 26.789 -5.867 -11.299 465 2HD ARG 56 1HD ARG 56 25.446 -4.729 -11.528 466 HE ARG 56 HE ARG 56 26.782 -3.049 -10.541 467 1HH1 ARG 56 1HH2 ARG 56 29.161 -4.807 -11.317 468 2HH1 ARG 56 2HH2 ARG 56 30.033 -4.859 -9.820 469 1HH2 ARG 56 1HH1 ARG 56 27.371 -3.704 -7.926 470 2HH2 ARG 56 2HH1 ARG 56 29.020 -4.230 -7.902 Start of MODEL 7 1 1H MET 1 1H MET 1 -9.202 8.420 -4.430 2 2H MET 1 2H MET 1 -10.251 7.780 -3.254 3 3H MET 1 3H MET 1 -9.701 6.802 -4.532 4 HA MET 1 HA MET 1 -7.763 8.024 -2.675 5 1HB MET 1 2HB MET 1 -9.730 6.835 -1.488 6 2HB MET 1 1HB MET 1 -9.148 5.345 -2.247 7 1HG MET 1 2HG MET 1 -7.617 5.133 -0.626 8 2HG MET 1 1HG MET 1 -6.883 6.654 -1.133 9 1HE MET 1 1HE MET 1 -7.618 4.837 1.492 10 2HE MET 1 2HE MET 1 -7.943 5.934 2.832 11 3HE MET 1 3HE MET 1 -6.466 6.117 1.886 12 H LYS 2 H LYS 2 -6.194 7.866 -4.423 13 HA LYS 2 HA LYS 2 -5.861 5.748 -6.239 14 1HB LYS 2 2HB LYS 2 -4.034 7.665 -4.820 15 2HB LYS 2 1HB LYS 2 -3.331 6.397 -5.825 16 1HG LYS 2 2HG LYS 2 -5.430 7.453 -7.345 17 2HG LYS 2 1HG LYS 2 -4.616 8.850 -6.639 18 1HD LYS 2 2HD LYS 2 -2.431 7.899 -7.424 19 2HD LYS 2 1HD LYS 2 -3.336 6.632 -8.256 20 1HE LYS 2 2HE LYS 2 -3.452 8.054 -10.026 21 2HE LYS 2 1HE LYS 2 -4.577 9.026 -9.056 22 1HZ LYS 2 1HZ LYS 2 -2.711 10.164 -8.060 23 2HZ LYS 2 2HZ LYS 2 -2.621 10.312 -9.750 24 3HZ LYS 2 3HZ LYS 2 -1.612 9.214 -8.935 25 H VAL 3 H VAL 3 -4.849 3.679 -6.018 26 HA VAL 3 HA VAL 3 -4.210 2.934 -3.225 27 HB VAL 3 HB VAL 3 -6.208 2.043 -5.221 28 1HG1 VAL 3 1HG1 VAL 3 -5.068 -0.008 -4.863 29 2HG1 VAL 3 2HG1 VAL 3 -6.523 -0.043 -3.861 30 3HG1 VAL 3 3HG1 VAL 3 -4.950 0.284 -3.132 31 1HG2 VAL 3 1HG2 VAL 3 -7.548 2.810 -3.626 32 2HG2 VAL 3 2HG2 VAL 3 -6.105 3.403 -2.815 33 3HG2 VAL 3 3HG2 VAL 3 -6.759 1.815 -2.408 34 H ILE 4 H ILE 4 -2.422 1.812 -2.966 35 HA ILE 4 HA ILE 4 -0.999 0.636 -5.283 36 HB ILE 4 HB ILE 4 -0.462 1.776 -2.577 37 1HG1 ILE 4 2HG1 ILE 4 0.143 2.328 -5.299 38 2HG1 ILE 4 1HG1 ILE 4 0.600 3.277 -3.894 39 1HG2 ILE 4 1HG2 ILE 4 1.000 -0.566 -3.697 40 2HG2 ILE 4 2HG2 ILE 4 0.493 -0.241 -2.042 41 3HG2 ILE 4 3HG2 ILE 4 1.854 0.632 -2.725 42 1HD1 ILE 4 1HD1 ILE 4 2.657 2.793 -4.976 43 2HD1 ILE 4 2HD1 ILE 4 2.191 1.121 -5.296 44 3HD1 ILE 4 3HD1 ILE 4 2.577 1.632 -3.654 45 H PHE 5 H PHE 5 -2.200 -1.408 -5.480 46 HA PHE 5 HA PHE 5 -2.812 -3.050 -3.172 47 1HB PHE 5 2HB PHE 5 -2.541 -3.404 -6.120 48 2HB PHE 5 1HB PHE 5 -2.562 -4.840 -5.110 49 HD1 PHE 5 HD1 PHE 5 -4.568 -5.487 -3.864 50 HD2 PHE 5 HD2 PHE 5 -4.546 -1.940 -6.296 51 HE1 PHE 5 HE1 PHE 5 -7.030 -5.433 -3.807 52 HE2 PHE 5 HE2 PHE 5 -7.011 -1.894 -6.228 53 HZ PHE 5 HZ PHE 5 -8.252 -3.638 -4.994 54 H LEU 6 H LEU 6 -1.246 -4.072 -1.939 55 HA LEU 6 HA LEU 6 1.537 -4.034 -2.840 56 1HB LEU 6 2HB LEU 6 1.818 -5.313 -0.622 57 2HB LEU 6 1HB LEU 6 1.155 -3.687 -0.509 58 HG LEU 6 HG LEU 6 -0.941 -5.670 -0.924 59 1HD1 LEU 6 1HD1 LEU 6 1.167 -6.204 1.086 60 2HD1 LEU 6 2HD1 LEU 6 -0.027 -7.301 0.390 61 3HD1 LEU 6 3HD1 LEU 6 -0.479 -6.232 1.717 62 1HD2 LEU 6 1HD2 LEU 6 -0.387 -3.220 0.530 63 2HD2 LEU 6 2HD2 LEU 6 -1.166 -4.399 1.585 64 3HD2 LEU 6 3HD2 LEU 6 -1.938 -3.914 0.084 65 H LYS 7 H LYS 7 -1.130 -6.252 -2.842 66 HA LYS 7 HA LYS 7 0.678 -8.386 -3.935 67 1HB LYS 7 2HB LYS 7 -1.639 -8.373 -2.058 68 2HB LYS 7 1HB LYS 7 -1.510 -9.744 -3.160 69 1HG LYS 7 2HG LYS 7 -0.314 -9.887 -0.850 70 2HG LYS 7 1HG LYS 7 0.553 -10.419 -2.290 71 1HD LYS 7 2HD LYS 7 1.832 -8.412 -2.391 72 2HD LYS 7 1HD LYS 7 0.780 -7.594 -1.238 73 1HE LYS 7 2HE LYS 7 1.532 -9.086 0.558 74 2HE LYS 7 1HE LYS 7 2.548 -9.979 -0.591 75 1HZ LYS 7 1HZ LYS 7 2.783 -7.147 0.238 76 2HZ LYS 7 2HZ LYS 7 3.515 -7.731 -1.178 77 3HZ LYS 7 3HZ LYS 7 3.960 -8.364 0.335 78 H ASP 8 H ASP 8 -1.296 -10.021 -4.976 79 HA ASP 8 HA ASP 8 -2.353 -8.308 -7.191 80 1HB ASP 8 2HB ASP 8 -2.123 -10.311 -8.537 81 2HB ASP 8 1HB ASP 8 -0.635 -10.121 -7.608 82 H VAL 9 H VAL 9 -4.544 -8.776 -7.944 83 HA VAL 9 HA VAL 9 -6.198 -10.333 -5.980 84 HB VAL 9 HB VAL 9 -7.281 -8.007 -7.542 85 1HG1 VAL 9 1HG1 VAL 9 -8.141 -7.983 -4.880 86 2HG1 VAL 9 2HG1 VAL 9 -8.026 -9.696 -5.289 87 3HG1 VAL 9 3HG1 VAL 9 -9.034 -8.624 -6.261 88 1HG2 VAL 9 1HG2 VAL 9 -5.628 -6.685 -6.657 89 2HG2 VAL 9 2HG2 VAL 9 -5.208 -7.868 -5.417 90 3HG2 VAL 9 3HG2 VAL 9 -6.601 -6.813 -5.194 91 H LYS 10 H LYS 10 -8.612 -10.169 -7.416 92 HA LYS 10 HA LYS 10 -8.294 -12.242 -9.376 93 1HB LYS 10 2HB LYS 10 -10.491 -10.305 -8.610 94 2HB LYS 10 1HB LYS 10 -10.726 -11.546 -9.841 95 1HG LYS 10 2HG LYS 10 -9.678 -12.219 -7.088 96 2HG LYS 10 1HG LYS 10 -11.407 -12.159 -7.432 97 1HD LYS 10 2HD LYS 10 -10.358 -13.648 -9.541 98 2HD LYS 10 1HD LYS 10 -9.456 -14.210 -8.131 99 1HE LYS 10 2HE LYS 10 -12.085 -14.024 -7.197 100 2HE LYS 10 1HE LYS 10 -12.247 -14.706 -8.829 101 1HZ LYS 10 1HZ LYS 10 -10.933 -16.485 -8.327 102 2HZ LYS 10 2HZ LYS 10 -11.639 -16.230 -6.804 103 3HZ LYS 10 3HZ LYS 10 -10.069 -15.665 -7.120 104 H GLY 11 H GLY 11 -6.627 -11.241 -10.807 105 1HA GLY 11 2HA GLY 11 -5.937 -9.932 -12.643 106 2HA GLY 11 1HA GLY 11 -7.563 -10.275 -13.237 107 H LYS 12 H LYS 12 -7.118 -8.520 -10.259 108 HA LYS 12 HA LYS 12 -8.215 -6.082 -11.606 109 1HB LYS 12 2HB LYS 12 -8.451 -7.375 -8.907 110 2HB LYS 12 1HB LYS 12 -8.710 -5.636 -9.037 111 1HG LYS 12 2HG LYS 12 -10.116 -6.867 -11.189 112 2HG LYS 12 1HG LYS 12 -10.518 -7.753 -9.718 113 1HD LYS 12 2HD LYS 12 -11.884 -6.082 -9.095 114 2HD LYS 12 1HD LYS 12 -10.508 -4.980 -9.064 115 1HE LYS 12 2HE LYS 12 -11.935 -5.678 -11.644 116 2HE LYS 12 1HE LYS 12 -12.417 -4.302 -10.628 117 1HZ LYS 12 1HZ LYS 12 -10.745 -3.652 -12.273 118 2HZ LYS 12 2HZ LYS 12 -9.670 -4.809 -11.645 119 3HZ LYS 12 3HZ LYS 12 -10.155 -3.488 -10.691 120 H GLY 13 H GLY 13 -6.304 -6.697 -8.640 121 1HA GLY 13 2HA GLY 13 -4.588 -4.375 -9.398 122 2HA GLY 13 1HA GLY 13 -4.818 -4.951 -7.746 123 H LYS 14 H LYS 14 -2.253 -4.610 -8.834 124 HA LYS 14 HA LYS 14 -1.329 -7.457 -9.027 125 1HB LYS 14 2HB LYS 14 -0.079 -5.038 -10.366 126 2HB LYS 14 1HB LYS 14 0.304 -6.735 -10.656 127 1HG LYS 14 2HG LYS 14 -2.542 -6.033 -11.045 128 2HG LYS 14 1HG LYS 14 -1.434 -5.273 -12.184 129 1HD LYS 14 2HD LYS 14 -1.719 -7.249 -13.307 130 2HD LYS 14 1HD LYS 14 -0.438 -7.782 -12.213 131 1HE LYS 14 2HE LYS 14 -2.129 -8.634 -10.629 132 2HE LYS 14 1HE LYS 14 -3.421 -8.095 -11.720 133 1HZ LYS 14 1HZ LYS 14 -1.378 -10.180 -12.168 134 2HZ LYS 14 2HZ LYS 14 -2.126 -9.401 -13.483 135 3HZ LYS 14 3HZ LYS 14 -3.061 -10.282 -12.369 136 H LYS 15 H LYS 15 1.324 -7.168 -8.717 137 HA LYS 15 HA LYS 15 1.759 -6.684 -5.982 138 1HB LYS 15 2HB LYS 15 4.031 -7.038 -6.540 139 2HB LYS 15 1HB LYS 15 3.162 -7.853 -7.839 140 1HG LYS 15 2HG LYS 15 4.270 -5.033 -7.969 141 2HG LYS 15 1HG LYS 15 4.993 -6.450 -8.729 142 1HD LYS 15 2HD LYS 15 2.957 -6.761 -10.093 143 2HD LYS 15 1HD LYS 15 2.228 -5.344 -9.336 144 1HE LYS 15 2HE LYS 15 4.829 -5.302 -10.910 145 2HE LYS 15 1HE LYS 15 3.253 -4.774 -11.533 146 1HZ LYS 15 1HZ LYS 15 4.780 -3.657 -9.253 147 2HZ LYS 15 2HZ LYS 15 3.121 -3.351 -9.468 148 3HZ LYS 15 3HZ LYS 15 4.239 -2.850 -10.644 149 H GLY 16 H GLY 16 1.966 -4.825 -4.813 150 1HA GLY 16 2HA GLY 16 1.704 -2.487 -4.440 151 2HA GLY 16 1HA GLY 16 3.297 -2.489 -5.178 152 H GLU 17 H GLU 17 0.218 -3.235 -6.835 153 HA GLU 17 HA GLU 17 0.910 -1.317 -8.927 154 1HB GLU 17 2HB GLU 17 -0.502 -2.621 -10.100 155 2HB GLU 17 1HB GLU 17 -0.678 -3.615 -8.659 156 1HG GLU 17 2HG GLU 17 -2.727 -2.621 -8.080 157 2HG GLU 17 1HG GLU 17 -2.396 -1.158 -9.008 158 H ILE 18 H ILE 18 0.350 0.786 -8.977 159 HA ILE 18 HA ILE 18 -1.465 1.836 -6.829 160 HB ILE 18 HB ILE 18 0.204 3.403 -8.792 161 1HG1 ILE 18 2HG1 ILE 18 1.799 3.176 -6.562 162 2HG1 ILE 18 1HG1 ILE 18 1.135 1.553 -6.709 163 1HG2 ILE 18 1HG2 ILE 18 -1.510 4.347 -7.081 164 2HG2 ILE 18 2HG2 ILE 18 0.075 5.108 -7.195 165 3HG2 ILE 18 3HG2 ILE 18 -0.271 3.988 -5.883 166 1HD1 ILE 18 1HD1 ILE 18 2.483 1.110 -8.455 167 2HD1 ILE 18 2HD1 ILE 18 3.249 2.678 -8.220 168 3HD1 ILE 18 3HD1 ILE 18 1.879 2.522 -9.320 169 H LYS 19 H LYS 19 -3.432 2.169 -7.378 170 HA LYS 19 HA LYS 19 -4.239 3.693 -9.729 171 1HB LYS 19 2HB LYS 19 -4.057 0.914 -9.928 172 2HB LYS 19 1HB LYS 19 -5.756 1.198 -9.554 173 1HG LYS 19 2HG LYS 19 -6.170 2.127 -11.581 174 2HG LYS 19 1HG LYS 19 -4.670 3.053 -11.558 175 1HD LYS 19 2HD LYS 19 -3.442 1.350 -12.542 176 2HD LYS 19 1HD LYS 19 -4.509 0.087 -11.927 177 1HE LYS 19 2HE LYS 19 -6.099 0.419 -13.616 178 2HE LYS 19 1HE LYS 19 -5.557 2.080 -13.932 179 1HZ LYS 19 1HZ LYS 19 -3.343 1.007 -14.523 180 2HZ LYS 19 2HZ LYS 19 -4.609 0.833 -15.644 181 3HZ LYS 19 3HZ LYS 19 -4.198 -0.456 -14.615 182 H ASN 20 H ASN 20 -6.462 4.476 -9.273 183 HA ASN 20 HA ASN 20 -7.089 4.149 -6.401 184 1HB ASN 20 2HB ASN 20 -8.552 6.005 -6.650 185 2HB ASN 20 1HB ASN 20 -7.182 6.377 -7.719 186 1HD2 ASN 20 1HD2 ASN 20 -10.612 5.701 -7.631 187 2HD2 ASN 20 2HD2 ASN 20 -10.885 5.822 -9.303 188 H VAL 21 H VAL 21 -8.364 2.744 -5.719 189 HA VAL 21 HA VAL 21 -10.060 1.092 -7.473 190 HB VAL 21 HB VAL 21 -8.461 0.589 -5.423 191 1HG1 VAL 21 1HG1 VAL 21 -10.782 0.754 -3.670 192 2HG1 VAL 21 2HG1 VAL 21 -10.070 2.303 -4.128 193 3HG1 VAL 21 3HG1 VAL 21 -9.079 1.075 -3.346 194 1HG2 VAL 21 1HG2 VAL 21 -10.103 -1.213 -4.594 195 2HG2 VAL 21 2HG2 VAL 21 -9.467 -1.295 -6.235 196 3HG2 VAL 21 3HG2 VAL 21 -11.090 -0.666 -5.950 197 H ALA 22 H ALA 22 -11.970 0.918 -5.103 198 HA ALA 22 HA ALA 22 -13.582 3.296 -5.808 199 1HB ALA 22 1HB ALA 22 -14.401 2.002 -3.367 200 2HB ALA 22 2HB ALA 22 -14.005 0.770 -4.563 201 3HB ALA 22 3HB ALA 22 -15.217 1.995 -4.923 202 H ASP 23 H ASP 23 -12.750 5.198 -5.039 203 HA ASP 23 HA ASP 23 -10.751 5.822 -3.420 204 1HB ASP 23 2HB ASP 23 -13.554 6.961 -3.560 205 2HB ASP 23 1HB ASP 23 -12.259 7.778 -2.712 206 H GLY 24 H GLY 24 -13.841 4.543 -2.182 207 1HA GLY 24 2HA GLY 24 -12.785 4.854 0.583 208 2HA GLY 24 1HA GLY 24 -14.450 4.428 0.175 209 H TYR 25 H TYR 25 -13.775 2.446 -1.779 210 HA TYR 25 HA TYR 25 -13.620 -0.005 -0.393 211 1HB TYR 25 2HB TYR 25 -14.181 0.175 -2.735 212 2HB TYR 25 1HB TYR 25 -12.713 1.073 -3.061 213 HD1 TYR 25 HD1 TYR 25 -13.080 -0.783 -4.985 214 HD2 TYR 25 HD2 TYR 25 -11.604 -1.565 -1.036 215 HE1 TYR 25 HE1 TYR 25 -12.012 -2.855 -5.793 216 HE2 TYR 25 HE2 TYR 25 -10.576 -3.614 -1.858 217 HH TYR 25 HH TYR 25 -11.166 -5.264 -4.059 218 H ALA 26 H ALA 26 -11.129 1.748 -2.119 219 HA ALA 26 HA ALA 26 -8.728 0.573 -1.601 220 1HB ALA 26 1HB ALA 26 -9.085 2.843 -2.567 221 2HB ALA 26 2HB ALA 26 -7.842 2.894 -1.315 222 3HB ALA 26 3HB ALA 26 -9.469 3.463 -0.962 223 H ASN 27 H ASN 27 -10.016 2.867 0.847 224 HA ASN 27 HA ASN 27 -8.311 1.663 2.906 225 1HB ASN 27 2HB ASN 27 -8.529 4.039 2.828 226 2HB ASN 27 1HB ASN 27 -10.287 3.942 2.808 227 1HD2 ASN 27 1HD2 ASN 27 -11.155 4.467 4.743 228 2HD2 ASN 27 2HD2 ASN 27 -10.466 4.132 6.245 229 H ASN 28 H ASN 28 -11.242 0.616 1.753 230 HA ASN 28 HA ASN 28 -12.130 -0.169 4.518 231 1HB ASN 28 2HB ASN 28 -13.462 1.261 2.562 232 2HB ASN 28 1HB ASN 28 -14.075 -0.375 2.318 233 1HD2 ASN 28 1HD2 ASN 28 -13.070 1.217 5.383 234 2HD2 ASN 28 2HD2 ASN 28 -14.576 1.042 6.145 235 H PHE 29 H PHE 29 -10.401 -1.482 2.132 236 HA PHE 29 HA PHE 29 -11.307 -4.216 2.753 237 1HB PHE 29 2HB PHE 29 -12.897 -3.638 1.017 238 2HB PHE 29 1HB PHE 29 -11.652 -2.871 0.072 239 HD1 PHE 29 HD1 PHE 29 -12.717 -4.353 -1.754 240 HD2 PHE 29 HD2 PHE 29 -10.465 -5.911 1.534 241 HE1 PHE 29 HE1 PHE 29 -12.225 -6.389 -3.058 242 HE2 PHE 29 HE2 PHE 29 -9.951 -7.933 0.239 243 HZ PHE 29 HZ PHE 29 -10.854 -8.204 -2.059 244 H LEU 30 H LEU 30 -9.322 -2.260 0.523 245 HA LEU 30 HA LEU 30 -7.339 -4.398 0.232 246 1HB LEU 30 2HB LEU 30 -7.168 -1.505 -0.660 247 2HB LEU 30 1HB LEU 30 -6.388 -2.908 -1.404 248 HG LEU 30 HG LEU 30 -9.339 -2.589 -1.122 249 1HD1 LEU 30 1HD1 LEU 30 -7.496 -1.493 -3.153 250 2HD1 LEU 30 2HD1 LEU 30 -9.148 -1.011 -2.759 251 3HD1 LEU 30 3HD1 LEU 30 -8.862 -2.386 -3.820 252 1HD2 LEU 30 1HD2 LEU 30 -9.213 -4.812 -1.606 253 2HD2 LEU 30 2HD2 LEU 30 -7.554 -4.681 -2.184 254 3HD2 LEU 30 3HD2 LEU 30 -8.891 -4.269 -3.251 255 H PHE 31 H PHE 31 -7.704 -1.398 1.851 256 HA PHE 31 HA PHE 31 -4.957 -1.281 2.798 257 1HB PHE 31 2HB PHE 31 -7.547 0.125 3.333 258 2HB PHE 31 1HB PHE 31 -6.000 0.657 3.963 259 HD1 PHE 31 HD1 PHE 31 -5.479 -0.917 0.750 260 HD2 PHE 31 HD2 PHE 31 -6.834 2.728 2.588 261 HE1 PHE 31 HE1 PHE 31 -4.938 0.362 -1.299 262 HE2 PHE 31 HE2 PHE 31 -6.295 3.983 0.535 263 HZ PHE 31 HZ PHE 31 -5.334 2.796 -1.393 264 H LYS 32 H LYS 32 -8.079 -1.549 4.548 265 HA LYS 32 HA LYS 32 -6.838 -2.196 7.052 266 1HB LYS 32 2HB LYS 32 -9.379 -1.573 5.992 267 2HB LYS 32 1HB LYS 32 -9.565 -3.121 6.814 268 1HG LYS 32 2HG LYS 32 -8.588 -0.501 7.959 269 2HG LYS 32 1HG LYS 32 -9.940 -1.493 8.505 270 1HD LYS 32 2HD LYS 32 -7.682 -3.177 8.603 271 2HD LYS 32 1HD LYS 32 -7.153 -1.638 9.280 272 1HE LYS 32 2HE LYS 32 -8.074 -2.953 11.101 273 2HE LYS 32 1HE LYS 32 -9.259 -1.686 10.727 274 1HZ LYS 32 1HZ LYS 32 -10.627 -3.140 9.642 275 2HZ LYS 32 2HZ LYS 32 -9.979 -4.193 10.811 276 3HZ LYS 32 3HZ LYS 32 -9.372 -4.202 9.224 277 H GLN 33 H GLN 33 -7.020 -4.131 4.320 278 HA GLN 33 HA GLN 33 -7.180 -6.618 6.005 279 1HB GLN 33 2HB GLN 33 -7.725 -6.150 3.059 280 2HB GLN 33 1HB GLN 33 -7.787 -7.723 3.844 281 1HG GLN 33 2HG GLN 33 -9.347 -6.044 5.468 282 2HG GLN 33 1HG GLN 33 -9.796 -5.628 3.814 283 1HE2 GLN 33 1HE2 GLN 33 -10.744 -7.635 6.247 284 2HE2 GLN 33 2HE2 GLN 33 -11.336 -8.943 5.341 285 H GLY 34 H GLY 34 -5.943 -6.605 2.730 286 1HA GLY 34 2HA GLY 34 -3.157 -6.321 3.411 287 2HA GLY 34 1HA GLY 34 -3.599 -8.026 3.327 288 H LEU 35 H LEU 35 -5.164 -5.621 1.292 289 HA LEU 35 HA LEU 35 -3.990 -6.999 -1.085 290 1HB LEU 35 2HB LEU 35 -6.251 -5.003 -0.881 291 2HB LEU 35 1HB LEU 35 -5.865 -6.000 -2.267 292 HG LEU 35 HG LEU 35 -6.163 -7.890 -0.314 293 1HD1 LEU 35 1HD1 LEU 35 -7.005 -5.971 1.184 294 2HD1 LEU 35 2HD1 LEU 35 -8.058 -7.380 1.042 295 3HD1 LEU 35 3HD1 LEU 35 -8.412 -5.917 0.121 296 1HD2 LEU 35 1HD2 LEU 35 -7.527 -8.576 -1.972 297 2HD2 LEU 35 2HD2 LEU 35 -7.450 -6.962 -2.679 298 3HD2 LEU 35 3HD2 LEU 35 -8.707 -7.353 -1.512 299 H ALA 36 H ALA 36 -4.773 -3.712 0.057 300 HA ALA 36 HA ALA 36 -2.409 -2.626 -1.452 301 1HB ALA 36 1HB ALA 36 -3.856 -0.980 -2.452 302 2HB ALA 36 2HB ALA 36 -5.207 -1.471 -1.432 303 3HB ALA 36 3HB ALA 36 -4.625 -2.546 -2.703 304 H ILE 37 H ILE 37 -2.283 -0.174 -1.015 305 HA ILE 37 HA ILE 37 -3.214 0.557 1.732 306 HB ILE 37 HB ILE 37 -0.971 1.526 2.169 307 1HG1 ILE 37 2HG1 ILE 37 -0.420 0.340 -0.552 308 2HG1 ILE 37 1HG1 ILE 37 -0.154 1.996 -0.016 309 1HG2 ILE 37 1HG2 ILE 37 -1.236 -1.404 1.522 310 2HG2 ILE 37 2HG2 ILE 37 -1.279 -0.616 3.098 311 3HG2 ILE 37 3HG2 ILE 37 0.246 -0.760 2.228 312 1HD1 ILE 37 1HD1 ILE 37 1.991 0.871 -0.071 313 2HD1 ILE 37 2HD1 ILE 37 1.359 -0.466 0.889 314 3HD1 ILE 37 3HD1 ILE 37 1.547 1.130 1.615 315 H GLU 38 H GLU 38 -3.175 2.977 1.948 316 HA GLU 38 HA GLU 38 -4.412 4.299 -0.230 317 1HB GLU 38 2HB GLU 38 -4.579 5.139 2.008 318 2HB GLU 38 1HB GLU 38 -2.827 5.241 2.173 319 1HG GLU 38 2HG GLU 38 -3.044 6.883 0.102 320 2HG GLU 38 1HG GLU 38 -4.699 7.053 0.685 321 H ALA 39 H ALA 39 -3.474 4.788 -2.252 322 HA ALA 39 HA ALA 39 -0.640 4.645 -2.717 323 1HB ALA 39 1HB ALA 39 -2.655 4.718 -4.349 324 2HB ALA 39 2HB ALA 39 -1.163 5.509 -4.854 325 3HB ALA 39 3HB ALA 39 -2.496 6.469 -4.221 326 H THR 40 H THR 40 0.262 5.890 -0.876 327 HA THR 40 HA THR 40 0.028 8.860 -1.196 328 HB THR 40 HB THR 40 -0.588 7.432 0.941 329 HG1 THR 40 HG1 THR 40 -0.783 9.420 1.474 330 1HG2 THR 40 1HG2 THR 40 1.383 7.418 2.534 331 2HG2 THR 40 2HG2 THR 40 2.412 7.667 1.125 332 3HG2 THR 40 3HG2 THR 40 1.431 6.209 1.252 333 HA PRO 41 HA PRO 41 4.168 9.408 -2.435 334 1HB PRO 41 2HB PRO 41 5.299 10.911 -0.446 335 2HB PRO 41 1HB PRO 41 4.193 11.589 -1.655 336 1HG PRO 41 2HG PRO 41 3.755 11.083 1.187 337 2HG PRO 41 1HG PRO 41 2.846 12.110 0.072 338 1HD PRO 41 2HD PRO 41 2.195 9.469 1.008 339 2HD PRO 41 1HD PRO 41 1.236 10.532 -0.040 340 H ALA 42 H ALA 42 4.429 9.203 1.137 341 HA ALA 42 HA ALA 42 6.762 7.839 1.515 342 1HB ALA 42 1HB ALA 42 5.882 7.342 3.587 343 2HB ALA 42 2HB ALA 42 4.388 6.697 2.911 344 3HB ALA 42 3HB ALA 42 4.619 8.442 3.035 345 H ASN 43 H ASN 43 3.833 6.449 0.124 346 HA ASN 43 HA ASN 43 5.018 3.731 0.094 347 1HB ASN 43 2HB ASN 43 2.361 4.878 -0.830 348 2HB ASN 43 1HB ASN 43 2.753 3.158 -0.768 349 1HD2 ASN 43 1HD2 ASN 43 0.693 3.465 0.789 350 2HD2 ASN 43 2HD2 ASN 43 1.078 3.682 2.437 351 H LEU 44 H LEU 44 3.455 5.842 -2.359 352 HA LEU 44 HA LEU 44 4.203 4.549 -4.695 353 1HB LEU 44 2HB LEU 44 3.623 7.303 -3.798 354 2HB LEU 44 1HB LEU 44 4.540 7.222 -5.300 355 HG LEU 44 HG LEU 44 2.027 7.214 -5.613 356 1HD1 LEU 44 1HD1 LEU 44 2.998 6.390 -7.517 357 2HD1 LEU 44 2HD1 LEU 44 2.240 4.895 -6.976 358 3HD1 LEU 44 3HD1 LEU 44 3.946 5.189 -6.640 359 1HD2 LEU 44 1HD2 LEU 44 0.738 5.744 -4.495 360 2HD2 LEU 44 2HD2 LEU 44 2.169 5.265 -3.584 361 3HD2 LEU 44 3HD2 LEU 44 1.721 4.389 -5.047 362 H LYS 45 H LYS 45 6.241 6.694 -2.702 363 HA LYS 45 HA LYS 45 8.517 6.609 -4.511 364 1HB LYS 45 2HB LYS 45 7.767 7.670 -1.861 365 2HB LYS 45 1HB LYS 45 9.470 7.234 -1.997 366 1HG LYS 45 2HG LYS 45 9.393 8.524 -4.255 367 2HG LYS 45 1HG LYS 45 7.907 9.234 -3.622 368 1HD LYS 45 2HD LYS 45 9.096 10.057 -1.655 369 2HD LYS 45 1HD LYS 45 10.583 9.277 -2.199 370 1HE LYS 45 2HE LYS 45 10.201 10.681 -4.394 371 2HE LYS 45 1HE LYS 45 9.195 11.693 -3.339 372 1HZ LYS 45 1HZ LYS 45 11.154 11.509 -1.722 373 2HZ LYS 45 2HZ LYS 45 11.314 12.560 -3.048 374 3HZ LYS 45 3HZ LYS 45 12.060 11.035 -3.076 375 H ALA 46 H ALA 46 7.533 4.797 -1.602 376 HA ALA 46 HA ALA 46 9.874 3.259 -1.187 377 1HB ALA 46 1HB ALA 46 6.937 2.513 -0.943 378 2HB ALA 46 2HB ALA 46 7.895 3.330 0.293 379 3HB ALA 46 3HB ALA 46 8.265 1.664 -0.154 380 H LEU 47 H LEU 47 7.136 2.760 -3.419 381 HA LEU 47 HA LEU 47 7.825 0.202 -4.433 382 1HB LEU 47 2HB LEU 47 6.312 2.618 -5.302 383 2HB LEU 47 1HB LEU 47 6.747 1.482 -6.576 384 HG LEU 47 HG LEU 47 4.498 1.071 -5.432 385 1HD1 LEU 47 1HD1 LEU 47 4.734 -1.294 -5.589 386 2HD1 LEU 47 2HD1 LEU 47 6.442 -1.227 -5.159 387 3HD1 LEU 47 3HD1 LEU 47 5.904 -0.628 -6.729 388 1HD2 LEU 47 1HD2 LEU 47 4.404 0.383 -3.223 389 2HD2 LEU 47 2HD2 LEU 47 5.777 1.487 -3.128 390 3HD2 LEU 47 3HD2 LEU 47 6.050 -0.251 -3.241 391 H GLU 48 H GLU 48 8.981 3.436 -5.358 392 HA GLU 48 HA GLU 48 10.516 2.740 -7.647 393 1HB GLU 48 2HB GLU 48 10.025 5.022 -7.120 394 2HB GLU 48 1HB GLU 48 10.709 4.869 -5.504 395 1HG GLU 48 2HG GLU 48 12.932 4.313 -6.752 396 2HG GLU 48 1HG GLU 48 12.142 5.054 -8.145 397 H ALA 49 H ALA 49 11.124 2.179 -4.247 398 HA ALA 49 HA ALA 49 14.008 1.874 -4.457 399 1HB ALA 49 1HB ALA 49 12.712 0.414 -2.301 400 2HB ALA 49 2HB ALA 49 12.020 2.025 -2.479 401 3HB ALA 49 3HB ALA 49 13.752 1.834 -2.210 402 H GLN 50 H GLN 50 11.284 -0.439 -4.269 403 HA GLN 50 HA GLN 50 12.822 -2.827 -4.395 404 1HB GLN 50 2HB GLN 50 10.529 -2.867 -3.743 405 2HB GLN 50 1HB GLN 50 10.017 -2.044 -5.216 406 1HG GLN 50 2HG GLN 50 10.397 -3.959 -6.554 407 2HG GLN 50 1HG GLN 50 11.385 -4.732 -5.313 408 1HE2 GLN 50 1HE2 GLN 50 8.028 -3.451 -5.684 409 2HE2 GLN 50 2HE2 GLN 50 7.298 -4.698 -4.796 410 H LYS 51 H LYS 51 11.824 -0.587 -6.925 411 HA LYS 51 HA LYS 51 12.476 -2.433 -9.113 412 1HB LYS 51 2HB LYS 51 10.885 -0.235 -8.801 413 2HB LYS 51 1HB LYS 51 12.288 0.483 -9.592 414 1HG LYS 51 2HG LYS 51 10.996 -0.200 -11.422 415 2HG LYS 51 1HG LYS 51 12.091 -1.566 -11.216 416 1HD LYS 51 2HD LYS 51 10.248 -2.523 -9.651 417 2HD LYS 51 1HD LYS 51 9.188 -1.350 -10.434 418 1HE LYS 51 2HE LYS 51 10.905 -3.173 -12.120 419 2HE LYS 51 1HE LYS 51 9.352 -3.743 -11.476 420 1HZ LYS 51 1HZ LYS 51 8.756 -1.256 -12.328 421 2HZ LYS 51 2HZ LYS 51 8.478 -2.675 -13.225 422 3HZ LYS 51 3HZ LYS 51 9.878 -1.753 -13.501 423 H GLN 52 H GLN 52 13.951 0.529 -7.718 424 HA GLN 52 HA GLN 52 16.209 0.665 -9.436 425 1HB GLN 52 2HB GLN 52 15.331 1.681 -6.806 426 2HB GLN 52 1HB GLN 52 17.081 1.621 -7.011 427 1HG GLN 52 2HG GLN 52 16.620 2.734 -9.320 428 2HG GLN 52 1HG GLN 52 15.050 3.146 -8.632 429 1HE2 GLN 52 1HE2 GLN 52 18.570 3.617 -8.184 430 2HE2 GLN 52 2HE2 GLN 52 18.421 5.005 -7.217 431 H LYS 53 H LYS 53 17.566 -1.075 -9.762 432 HA LYS 53 HA LYS 53 18.645 -2.464 -7.330 433 1HB LYS 53 2HB LYS 53 16.842 -3.525 -9.082 434 2HB LYS 53 1HB LYS 53 18.358 -4.003 -9.848 435 1HG LYS 53 2HG LYS 53 18.431 -5.717 -8.383 436 2HG LYS 53 1HG LYS 53 18.770 -4.520 -7.131 437 1HD LYS 53 2HD LYS 53 16.267 -4.203 -6.894 438 2HD LYS 53 1HD LYS 53 16.061 -5.595 -7.956 439 1HE LYS 53 2HE LYS 53 17.928 -6.009 -5.685 440 2HE LYS 53 1HE LYS 53 16.215 -5.829 -5.254 441 1HZ LYS 53 1HZ LYS 53 15.898 -7.357 -7.326 442 2HZ LYS 53 2HZ LYS 53 16.279 -8.037 -5.816 443 3HZ LYS 53 3HZ LYS 53 17.491 -7.829 -6.986 444 H GLU 54 H GLU 54 20.837 -2.119 -7.290 445 HA GLU 54 HA GLU 54 22.276 -1.950 -9.920 446 1HB GLU 54 2HB GLU 54 21.948 0.143 -8.400 447 2HB GLU 54 1HB GLU 54 23.160 -0.614 -7.364 448 1HG GLU 54 2HG GLU 54 23.521 0.005 -10.313 449 2HG GLU 54 1HG GLU 54 24.206 0.942 -8.982 450 H GLN 55 H GLN 55 23.213 -3.990 -10.057 451 HA GLN 55 HA GLN 55 25.144 -4.724 -7.909 452 1HB GLN 55 2HB GLN 55 22.570 -6.010 -8.546 453 2HB GLN 55 1HB GLN 55 23.931 -7.133 -8.550 454 1HG GLN 55 2HG GLN 55 23.716 -7.198 -6.304 455 2HG GLN 55 1HG GLN 55 24.385 -5.565 -6.297 456 1HE2 GLN 55 1HE2 GLN 55 21.993 -7.118 -4.834 457 2HE2 GLN 55 2HE2 GLN 55 20.761 -5.951 -4.858 458 H ARG 56 HN ARG 56 23.703 -5.452 -11.054 459 HA ARG 56 HA ARG 56 25.801 -7.093 -12.101 460 1HB ARG 56 2HB ARG 56 23.303 -6.467 -12.771 461 2HB ARG 56 1HB ARG 56 24.122 -5.282 -13.788 462 1HG ARG 56 2HG ARG 56 24.741 -6.879 -15.261 463 2HG ARG 56 1HG ARG 56 25.445 -7.854 -13.970 464 1HD ARG 56 2HD ARG 56 22.556 -7.946 -13.797 465 2HD ARG 56 1HD ARG 56 23.098 -8.444 -15.414 466 HE ARG 56 HE ARG 56 23.581 -9.911 -12.967 467 1HH1 ARG 56 1HH1 ARG 56 23.666 -10.565 -16.083 468 2HH1 ARG 56 2HH1 ARG 56 25.259 -11.244 -16.165 469 1HH2 ARG 56 1HH2 ARG 56 26.195 -10.100 -13.029 470 2HH2 ARG 56 2HH2 ARG 56 26.688 -10.981 -14.437 Start of MODEL 8 1 1H MET 1 1H MET 1 -9.484 7.332 -4.149 2 2H MET 1 2H MET 1 -8.921 8.886 -3.751 3 3H MET 1 3H MET 1 -9.955 8.056 -2.691 4 HA MET 1 HA MET 1 -7.388 8.124 -2.251 5 1HB MET 1 2HB MET 1 -9.484 6.910 -1.186 6 2HB MET 1 1HB MET 1 -8.823 5.479 -1.989 7 1HG MET 1 2HG MET 1 -7.235 5.269 -0.409 8 2HG MET 1 1HG MET 1 -6.694 6.926 -0.675 9 1HE MET 1 1HE MET 1 -7.706 4.538 1.657 10 2HE MET 1 2HE MET 1 -7.972 5.507 3.103 11 3HE MET 1 3HE MET 1 -6.469 5.684 2.200 12 H LYS 2 H LYS 2 -5.858 7.984 -4.011 13 HA LYS 2 HA LYS 2 -5.851 5.957 -6.026 14 1HB LYS 2 2HB LYS 2 -3.929 7.869 -4.797 15 2HB LYS 2 1HB LYS 2 -3.224 6.508 -5.668 16 1HG LYS 2 2HG LYS 2 -4.263 7.098 -7.694 17 2HG LYS 2 1HG LYS 2 -5.430 8.147 -6.889 18 1HD LYS 2 2HD LYS 2 -2.672 8.950 -6.359 19 2HD LYS 2 1HD LYS 2 -3.056 8.970 -8.080 20 1HE LYS 2 2HE LYS 2 -5.235 10.210 -7.348 21 2HE LYS 2 1HE LYS 2 -4.341 10.541 -5.851 22 1HZ LYS 2 1HZ LYS 2 -4.006 12.206 -7.682 23 2HZ LYS 2 2HZ LYS 2 -3.198 10.990 -8.550 24 3HZ LYS 2 3HZ LYS 2 -2.583 11.525 -7.058 25 H VAL 3 H VAL 3 -4.783 3.840 -5.951 26 HA VAL 3 HA VAL 3 -4.098 3.039 -3.181 27 HB VAL 3 HB VAL 3 -6.113 2.191 -5.174 28 1HG1 VAL 3 1HG1 VAL 3 -4.976 0.129 -4.860 29 2HG1 VAL 3 2HG1 VAL 3 -6.441 0.079 -3.876 30 3HG1 VAL 3 3HG1 VAL 3 -4.874 0.368 -3.116 31 1HG2 VAL 3 1HG2 VAL 3 -6.707 1.922 -2.378 32 2HG2 VAL 3 2HG2 VAL 3 -7.420 2.998 -3.577 33 3HG2 VAL 3 3HG2 VAL 3 -5.974 3.492 -2.710 34 H ILE 4 H ILE 4 -2.339 1.899 -2.930 35 HA ILE 4 HA ILE 4 -0.890 0.737 -5.248 36 HB ILE 4 HB ILE 4 -0.369 1.894 -2.539 37 1HG1 ILE 4 2HG1 ILE 4 0.312 2.378 -5.280 38 2HG1 ILE 4 1HG1 ILE 4 0.676 3.384 -3.888 39 1HG2 ILE 4 1HG2 ILE 4 1.948 0.713 -2.674 40 2HG2 ILE 4 2HG2 ILE 4 1.058 -0.487 -3.613 41 3HG2 ILE 4 3HG2 ILE 4 0.568 -0.109 -1.965 42 1HD1 ILE 4 1HD1 ILE 4 2.703 1.893 -3.488 43 2HD1 ILE 4 2HD1 ILE 4 2.772 2.887 -4.943 44 3HD1 ILE 4 3HD1 ILE 4 2.378 1.172 -5.066 45 H PHE 5 H PHE 5 -1.995 -1.335 -5.455 46 HA PHE 5 HA PHE 5 -2.654 -2.955 -3.126 47 1HB PHE 5 2HB PHE 5 -2.343 -3.340 -6.063 48 2HB PHE 5 1HB PHE 5 -2.396 -4.756 -5.044 49 HD1 PHE 5 HD1 PHE 5 -4.452 -5.342 -3.791 50 HD2 PHE 5 HD2 PHE 5 -4.335 -1.912 -6.391 51 HE1 PHE 5 HE1 PHE 5 -6.922 -5.287 -3.841 52 HE2 PHE 5 HE2 PHE 5 -6.805 -1.866 -6.423 53 HZ PHE 5 HZ PHE 5 -8.091 -3.561 -5.167 54 H LEU 6 H LEU 6 -1.079 -4.078 -1.909 55 HA LEU 6 HA LEU 6 1.704 -3.983 -2.723 56 1HB LEU 6 2HB LEU 6 0.246 -5.547 -0.560 57 2HB LEU 6 1HB LEU 6 1.978 -5.235 -0.614 58 HG LEU 6 HG LEU 6 1.376 -3.530 0.756 59 1HD1 LEU 6 1HD1 LEU 6 0.602 -2.271 -1.869 60 2HD1 LEU 6 2HD1 LEU 6 2.253 -2.439 -1.274 61 3HD1 LEU 6 3HD1 LEU 6 1.106 -1.410 -0.415 62 1HD2 LEU 6 1HD2 LEU 6 -1.262 -4.152 -0.163 63 2HD2 LEU 6 2HD2 LEU 6 -1.035 -2.404 -0.089 64 3HD2 LEU 6 3HD2 LEU 6 -0.762 -3.388 1.344 65 H LYS 7 H LYS 7 -0.968 -6.250 -2.864 66 HA LYS 7 HA LYS 7 0.826 -8.151 -4.342 67 1HB LYS 7 2HB LYS 7 -1.103 -8.528 -2.104 68 2HB LYS 7 1HB LYS 7 -1.035 -9.799 -3.328 69 1HG LYS 7 2HG LYS 7 0.820 -10.585 -2.334 70 2HG LYS 7 1HG LYS 7 1.642 -9.095 -2.799 71 1HD LYS 7 2HD LYS 7 1.339 -8.113 -0.717 72 2HD LYS 7 1HD LYS 7 -0.105 -9.061 -0.363 73 1HE LYS 7 2HE LYS 7 1.384 -11.107 -0.201 74 2HE LYS 7 1HE LYS 7 2.777 -10.009 -0.296 75 1HZ LYS 7 1HZ LYS 7 0.577 -9.922 1.701 76 2HZ LYS 7 2HZ LYS 7 1.776 -8.726 1.545 77 3HZ LYS 7 3HZ LYS 7 2.202 -10.307 2.003 78 H ASP 8 H ASP 8 -0.451 -9.555 -5.863 79 HA ASP 8 HA ASP 8 -2.252 -7.881 -7.440 80 1HB ASP 8 2HB ASP 8 -1.324 -9.192 -9.016 81 2HB ASP 8 1HB ASP 8 -0.547 -10.149 -7.763 82 H VAL 9 H VAL 9 -4.415 -8.487 -8.034 83 HA VAL 9 HA VAL 9 -5.837 -10.020 -5.883 84 HB VAL 9 HB VAL 9 -7.154 -8.104 -7.792 85 1HG1 VAL 9 1HG1 VAL 9 -8.064 -7.696 -5.205 86 2HG1 VAL 9 2HG1 VAL 9 -7.736 -9.428 -5.255 87 3HG1 VAL 9 3HG1 VAL 9 -8.840 -8.705 -6.425 88 1HG2 VAL 9 1HG2 VAL 9 -5.585 -6.544 -7.160 89 2HG2 VAL 9 2HG2 VAL 9 -5.143 -7.430 -5.702 90 3HG2 VAL 9 3HG2 VAL 9 -6.609 -6.453 -5.728 91 H LYS 10 H LYS 10 -7.845 -11.181 -6.733 92 HA LYS 10 HA LYS 10 -7.227 -13.020 -8.790 93 1HB LYS 10 2HB LYS 10 -9.711 -13.461 -8.676 94 2HB LYS 10 1HB LYS 10 -8.929 -13.404 -7.096 95 1HG LYS 10 2HG LYS 10 -9.565 -10.765 -7.487 96 2HG LYS 10 1HG LYS 10 -10.924 -11.576 -8.266 97 1HD LYS 10 2HD LYS 10 -11.645 -12.563 -6.298 98 2HD LYS 10 1HD LYS 10 -10.032 -12.563 -5.585 99 1HE LYS 10 2HE LYS 10 -10.325 -10.500 -4.661 100 2HE LYS 10 1HE LYS 10 -11.060 -9.853 -6.139 101 1HZ LYS 10 1HZ LYS 10 -13.062 -10.158 -5.262 102 2HZ LYS 10 2HZ LYS 10 -12.362 -10.723 -3.821 103 3HZ LYS 10 3HZ LYS 10 -12.763 -11.816 -5.057 104 H GLY 11 H GLY 11 -6.405 -11.606 -10.533 105 1HA GLY 11 2HA GLY 11 -6.651 -10.563 -12.617 106 2HA GLY 11 1HA GLY 11 -8.301 -11.184 -12.617 107 H LYS 12 H LYS 12 -6.673 -8.807 -10.482 108 HA LYS 12 HA LYS 12 -8.580 -6.741 -11.487 109 1HB LYS 12 2HB LYS 12 -8.616 -8.163 -8.944 110 2HB LYS 12 1HB LYS 12 -8.530 -6.415 -8.714 111 1HG LYS 12 2HG LYS 12 -10.403 -7.227 -10.829 112 2HG LYS 12 1HG LYS 12 -10.844 -7.828 -9.230 113 1HD LYS 12 2HD LYS 12 -10.956 -5.651 -8.314 114 2HD LYS 12 1HD LYS 12 -10.045 -4.950 -9.652 115 1HE LYS 12 2HE LYS 12 -12.849 -6.115 -9.845 116 2HE LYS 12 1HE LYS 12 -12.428 -4.392 -9.906 117 1HZ LYS 12 1HZ LYS 12 -12.273 -4.803 -12.109 118 2HZ LYS 12 2HZ LYS 12 -12.012 -6.470 -11.901 119 3HZ LYS 12 3HZ LYS 12 -10.731 -5.375 -11.697 120 H GLY 13 H GLY 13 -6.115 -7.093 -8.877 121 1HA GLY 13 2HA GLY 13 -4.825 -4.628 -9.977 122 2HA GLY 13 1HA GLY 13 -4.930 -4.945 -8.244 123 H LYS 14 H LYS 14 -2.454 -4.525 -9.513 124 HA LYS 14 HA LYS 14 -1.245 -7.270 -9.501 125 1HB LYS 14 2HB LYS 14 -0.111 -4.789 -10.805 126 2HB LYS 14 1HB LYS 14 0.253 -6.475 -11.172 127 1HG LYS 14 2HG LYS 14 -2.531 -6.219 -11.509 128 2HG LYS 14 1HG LYS 14 -1.834 -4.784 -12.260 129 1HD LYS 14 2HD LYS 14 -0.203 -6.345 -13.443 130 2HD LYS 14 1HD LYS 14 -1.206 -7.681 -12.873 131 1HE LYS 14 2HE LYS 14 -2.790 -7.278 -14.454 132 2HE LYS 14 1HE LYS 14 -2.793 -5.539 -14.106 133 1HZ LYS 14 1HZ LYS 14 -1.047 -5.151 -15.520 134 2HZ LYS 14 2HZ LYS 14 -1.842 -6.400 -16.356 135 3HZ LYS 14 3HZ LYS 14 -0.458 -6.741 -15.429 136 H LYS 15 H LYS 15 1.214 -7.054 -9.001 137 HA LYS 15 HA LYS 15 1.753 -6.507 -6.348 138 1HB LYS 15 2HB LYS 15 3.975 -6.869 -6.998 139 2HB LYS 15 1HB LYS 15 3.080 -7.567 -8.346 140 1HG LYS 15 2HG LYS 15 4.242 -4.764 -8.265 141 2HG LYS 15 1HG LYS 15 4.915 -6.127 -9.156 142 1HD LYS 15 2HD LYS 15 3.028 -6.215 -10.629 143 2HD LYS 15 1HD LYS 15 2.096 -5.105 -9.622 144 1HE LYS 15 2HE LYS 15 4.646 -3.925 -10.388 145 2HE LYS 15 1HE LYS 15 3.681 -4.379 -11.807 146 1HZ LYS 15 1HZ LYS 15 3.171 -2.142 -10.699 147 2HZ LYS 15 2HZ LYS 15 2.440 -3.062 -9.471 148 3HZ LYS 15 3HZ LYS 15 1.864 -3.158 -11.065 149 H GLY 16 H GLY 16 2.043 -4.684 -5.102 150 1HA GLY 16 2HA GLY 16 1.840 -2.331 -4.644 151 2HA GLY 16 1HA GLY 16 3.364 -2.336 -5.499 152 H GLU 17 H GLU 17 0.272 -3.118 -7.029 153 HA GLU 17 HA GLU 17 0.781 -1.194 -9.127 154 1HB GLU 17 2HB GLU 17 -1.250 -2.062 -10.044 155 2HB GLU 17 1HB GLU 17 -0.499 -3.411 -9.200 156 1HG GLU 17 2HG GLU 17 -2.346 -3.649 -7.950 157 2HG GLU 17 1HG GLU 17 -2.138 -2.028 -7.323 158 H ILE 18 H ILE 18 0.357 0.967 -9.066 159 HA ILE 18 HA ILE 18 -1.410 1.960 -6.852 160 HB ILE 18 HB ILE 18 0.305 3.688 -8.615 161 1HG1 ILE 18 2HG1 ILE 18 2.055 3.179 -6.643 162 2HG1 ILE 18 1HG1 ILE 18 1.259 1.606 -6.696 163 1HG2 ILE 18 1HG2 ILE 18 -0.263 5.185 -7.047 164 2HG2 ILE 18 2HG2 ILE 18 0.404 4.159 -5.780 165 3HG2 ILE 18 3HG2 ILE 18 -1.271 3.954 -6.287 166 1HD1 ILE 18 1HD1 ILE 18 2.470 1.073 -8.516 167 2HD1 ILE 18 2HD1 ILE 18 3.221 2.669 -8.505 168 3HD1 ILE 18 3HD1 ILE 18 1.717 2.408 -9.389 169 H LYS 19 H LYS 19 -3.323 2.310 -7.410 170 HA LYS 19 HA LYS 19 -4.100 3.995 -9.664 171 1HB LYS 19 2HB LYS 19 -4.025 1.129 -9.853 172 2HB LYS 19 1HB LYS 19 -5.715 1.635 -9.818 173 1HG LYS 19 2HG LYS 19 -4.034 3.331 -11.522 174 2HG LYS 19 1HG LYS 19 -4.104 1.653 -12.063 175 1HD LYS 19 2HD LYS 19 -6.740 2.354 -11.305 176 2HD LYS 19 1HD LYS 19 -6.126 3.698 -12.266 177 1HE LYS 19 2HE LYS 19 -5.234 1.508 -13.699 178 2HE LYS 19 1HE LYS 19 -6.827 0.978 -13.125 179 1HZ LYS 19 1HZ LYS 19 -6.131 3.278 -14.805 180 2HZ LYS 19 2HZ LYS 19 -7.449 3.429 -13.745 181 3HZ LYS 19 3HZ LYS 19 -7.446 2.213 -14.931 182 H ASN 20 H ASN 20 -6.338 4.724 -9.196 183 HA ASN 20 HA ASN 20 -6.971 4.296 -6.343 184 1HB ASN 20 2HB ASN 20 -8.753 6.035 -6.860 185 2HB ASN 20 1HB ASN 20 -7.098 6.565 -7.175 186 1HD2 ASN 20 1HD2 ASN 20 -7.657 8.070 -8.876 187 2HD2 ASN 20 2HD2 ASN 20 -8.256 7.554 -10.379 188 H VAL 21 H VAL 21 -8.259 2.866 -5.686 189 HA VAL 21 HA VAL 21 -9.984 1.316 -7.507 190 HB VAL 21 HB VAL 21 -8.414 0.708 -5.430 191 1HG1 VAL 21 1HG1 VAL 21 -10.888 0.799 -3.855 192 2HG1 VAL 21 2HG1 VAL 21 -9.989 2.304 -4.062 193 3HG1 VAL 21 3HG1 VAL 21 -9.206 0.900 -3.336 194 1HG2 VAL 21 1HG2 VAL 21 -11.042 -0.540 -6.046 195 2HG2 VAL 21 2HG2 VAL 21 -9.912 -1.230 -4.879 196 3HG2 VAL 21 3HG2 VAL 21 -9.436 -1.051 -6.569 197 H ALA 22 H ALA 22 -11.987 1.054 -5.306 198 HA ALA 22 HA ALA 22 -13.485 3.508 -5.872 199 1HB ALA 22 1HB ALA 22 -15.136 2.201 -5.030 200 2HB ALA 22 2HB ALA 22 -14.336 2.198 -3.465 201 3HB ALA 22 3HB ALA 22 -13.937 0.966 -4.658 202 H ASP 23 H ASP 23 -12.485 5.341 -5.116 203 HA ASP 23 HA ASP 23 -10.486 5.836 -3.461 204 1HB ASP 23 2HB ASP 23 -13.216 7.170 -3.531 205 2HB ASP 23 1HB ASP 23 -11.787 7.914 -2.856 206 H GLY 24 H GLY 24 -13.682 4.787 -2.274 207 1HA GLY 24 2HA GLY 24 -12.649 5.010 0.507 208 2HA GLY 24 1HA GLY 24 -14.331 4.693 0.072 209 H TYR 25 H TYR 25 -13.735 2.654 -1.879 210 HA TYR 25 HA TYR 25 -13.792 0.208 -0.488 211 1HB TYR 25 2HB TYR 25 -14.213 0.342 -2.849 212 2HB TYR 25 1HB TYR 25 -12.730 1.230 -3.114 213 HD1 TYR 25 HD1 TYR 25 -11.725 -1.460 -1.068 214 HD2 TYR 25 HD2 TYR 25 -13.001 -0.596 -5.070 215 HE1 TYR 25 HE1 TYR 25 -10.662 -3.482 -1.869 216 HE2 TYR 25 HE2 TYR 25 -11.929 -2.672 -5.851 217 HH TYR 25 HH TYR 25 -10.505 -4.949 -3.573 218 H ALA 26 H ALA 26 -11.116 1.712 -2.133 219 HA ALA 26 HA ALA 26 -8.863 0.352 -1.520 220 1HB ALA 26 1HB ALA 26 -7.834 2.694 -1.130 221 2HB ALA 26 2HB ALA 26 -9.483 3.314 -1.131 222 3HB ALA 26 3HB ALA 26 -8.835 2.547 -2.571 223 H ASN 27 H ASN 27 -10.167 2.675 0.936 224 HA ASN 27 HA ASN 27 -8.404 1.571 2.980 225 1HB ASN 27 2HB ASN 27 -9.063 3.951 2.814 226 2HB ASN 27 1HB ASN 27 -10.729 3.496 3.160 227 1HD2 ASN 27 1HD2 ASN 27 -11.343 3.230 5.273 228 2HD2 ASN 27 2HD2 ASN 27 -10.284 3.296 6.583 229 H ASN 28 H ASN 28 -11.895 1.255 2.291 230 HA ASN 28 HA ASN 28 -12.369 -0.164 4.808 231 1HB ASN 28 2HB ASN 28 -13.920 1.311 3.283 232 2HB ASN 28 1HB ASN 28 -14.191 -0.203 2.417 233 1HD2 ASN 28 1HD2 ASN 28 -13.877 0.651 5.920 234 2HD2 ASN 28 2HD2 ASN 28 -15.295 -0.158 6.390 235 H PHE 29 H PHE 29 -10.507 -1.179 2.454 236 HA PHE 29 HA PHE 29 -11.168 -4.008 2.854 237 1HB PHE 29 2HB PHE 29 -12.709 -3.334 1.048 238 2HB PHE 29 1HB PHE 29 -11.379 -2.599 0.185 239 HD1 PHE 29 HD1 PHE 29 -9.978 -5.442 1.612 240 HD2 PHE 29 HD2 PHE 29 -12.682 -4.290 -1.507 241 HE1 PHE 29 HE1 PHE 29 -9.444 -7.506 0.403 242 HE2 PHE 29 HE2 PHE 29 -12.151 -6.370 -2.726 243 HZ PHE 29 HZ PHE 29 -10.549 -8.002 -1.766 244 H LEU 30 H LEU 30 -9.621 -3.147 -0.050 245 HA LEU 30 HA LEU 30 -7.317 -4.480 -0.077 246 1HB LEU 30 2HB LEU 30 -7.188 -1.524 -0.695 247 2HB LEU 30 1HB LEU 30 -6.389 -2.851 -1.549 248 HG LEU 30 HG LEU 30 -9.324 -2.440 -1.341 249 1HD1 LEU 30 1HD1 LEU 30 -9.072 -0.910 -2.969 250 2HD1 LEU 30 2HD1 LEU 30 -8.694 -2.271 -4.018 251 3HD1 LEU 30 3HD1 LEU 30 -7.394 -1.378 -3.238 252 1HD2 LEU 30 1HD2 LEU 30 -8.798 -4.134 -3.487 253 2HD2 LEU 30 2HD2 LEU 30 -9.371 -4.653 -1.902 254 3HD2 LEU 30 3HD2 LEU 30 -7.649 -4.646 -2.257 255 H PHE 31 H PHE 31 -7.744 -1.478 1.645 256 HA PHE 31 HA PHE 31 -5.057 -1.433 2.720 257 1HB PHE 31 2HB PHE 31 -7.667 -0.036 3.181 258 2HB PHE 31 1HB PHE 31 -6.158 0.471 3.920 259 HD1 PHE 31 HD1 PHE 31 -6.947 2.589 2.537 260 HD2 PHE 31 HD2 PHE 31 -5.413 -1.003 0.733 261 HE1 PHE 31 HE1 PHE 31 -6.298 3.883 0.539 262 HE2 PHE 31 HE2 PHE 31 -4.761 0.318 -1.261 263 HZ PHE 31 HZ PHE 31 -5.188 2.744 -1.338 264 H LYS 32 H LYS 32 -8.253 -1.811 4.341 265 HA LYS 32 HA LYS 32 -6.949 -2.710 6.815 266 1HB LYS 32 2HB LYS 32 -9.096 -1.269 6.387 267 2HB LYS 32 1HB LYS 32 -9.892 -2.829 6.192 268 1HG LYS 32 2HG LYS 32 -10.088 -2.083 8.515 269 2HG LYS 32 1HG LYS 32 -9.058 -3.510 8.435 270 1HD LYS 32 2HD LYS 32 -7.343 -2.370 9.343 271 2HD LYS 32 1HD LYS 32 -7.452 -1.142 8.081 272 1HE LYS 32 2HE LYS 32 -8.503 0.320 9.474 273 2HE LYS 32 1HE LYS 32 -9.626 -0.928 10.047 274 1HZ LYS 32 1HZ LYS 32 -8.272 -1.506 11.734 275 2HZ LYS 32 2HZ LYS 32 -7.643 0.061 11.537 276 3HZ LYS 32 3HZ LYS 32 -6.855 -1.271 10.835 277 H GLN 33 H GLN 33 -7.232 -4.337 4.037 278 HA GLN 33 HA GLN 33 -8.074 -6.880 5.403 279 1HB GLN 33 2HB GLN 33 -8.554 -5.736 2.678 280 2HB GLN 33 1HB GLN 33 -8.533 -7.488 2.873 281 1HG GLN 33 2HG GLN 33 -10.065 -6.504 5.024 282 2HG GLN 33 1HG GLN 33 -10.609 -5.610 3.604 283 1HE2 GLN 33 1HE2 GLN 33 -10.650 -8.722 5.172 284 2HE2 GLN 33 2HE2 GLN 33 -11.530 -9.541 3.975 285 H GLY 34 H GLY 34 -5.574 -5.254 3.609 286 1HA GLY 34 2HA GLY 34 -3.289 -6.093 3.688 287 2HA GLY 34 1HA GLY 34 -3.927 -7.727 3.805 288 H LEU 35 H LEU 35 -4.795 -5.201 1.448 289 HA LEU 35 HA LEU 35 -3.708 -6.975 -0.721 290 1HB LEU 35 2HB LEU 35 -6.006 -5.032 -0.958 291 2HB LEU 35 1HB LEU 35 -5.566 -6.306 -2.076 292 HG LEU 35 HG LEU 35 -6.017 -7.893 -0.056 293 1HD1 LEU 35 1HD1 LEU 35 -7.096 -7.087 1.764 294 2HD1 LEU 35 2HD1 LEU 35 -8.147 -6.062 0.793 295 3HD1 LEU 35 3HD1 LEU 35 -6.540 -5.506 1.234 296 1HD2 LEU 35 1HD2 LEU 35 -8.290 -8.154 -0.857 297 2HD2 LEU 35 2HD2 LEU 35 -7.309 -7.635 -2.224 298 3HD2 LEU 35 3HD2 LEU 35 -8.339 -6.473 -1.390 299 H ALA 36 H ALA 36 -4.597 -3.649 0.161 300 HA ALA 36 HA ALA 36 -2.275 -2.586 -1.402 301 1HB ALA 36 1HB ALA 36 -3.781 -1.008 -2.435 302 2HB ALA 36 2HB ALA 36 -5.096 -1.486 -1.360 303 3HB ALA 36 3HB ALA 36 -4.528 -2.598 -2.604 304 H ILE 37 H ILE 37 -2.163 -0.106 -0.937 305 HA ILE 37 HA ILE 37 -3.092 0.536 1.833 306 HB ILE 37 HB ILE 37 -0.811 1.643 2.138 307 1HG1 ILE 37 2HG1 ILE 37 0.951 0.445 0.685 308 2HG1 ILE 37 1HG1 ILE 37 -0.379 0.104 -0.414 309 1HG2 ILE 37 1HG2 ILE 37 0.330 -0.662 2.470 310 2HG2 ILE 37 2HG2 ILE 37 -1.199 -1.340 1.914 311 3HG2 ILE 37 3HG2 ILE 37 -1.154 -0.341 3.366 312 1HD1 ILE 37 1HD1 ILE 37 0.961 2.247 -0.864 313 2HD1 ILE 37 2HD1 ILE 37 0.204 2.893 0.591 314 3HD1 ILE 37 3HD1 ILE 37 -0.790 2.420 -0.787 315 H GLU 38 H GLU 38 -2.678 3.041 2.126 316 HA GLU 38 HA GLU 38 -4.164 4.433 0.096 317 1HB GLU 38 2HB GLU 38 -4.245 5.272 2.292 318 2HB GLU 38 1HB GLU 38 -2.497 5.157 2.500 319 1HG GLU 38 2HG GLU 38 -2.102 7.154 1.443 320 2HG GLU 38 1HG GLU 38 -3.469 6.963 0.343 321 H ALA 39 H ALA 39 -3.305 4.732 -1.993 322 HA ALA 39 HA ALA 39 -0.529 4.708 -2.636 323 1HB ALA 39 1HB ALA 39 -1.295 6.035 -4.651 324 2HB ALA 39 2HB ALA 39 -2.869 6.159 -3.875 325 3HB ALA 39 3HB ALA 39 -2.239 4.578 -4.335 326 H THR 40 H THR 40 0.807 5.970 -1.302 327 HA THR 40 HA THR 40 0.290 8.929 -1.303 328 HB THR 40 HB THR 40 0.266 7.369 0.826 329 HG1 THR 40 HG1 THR 40 0.032 9.431 1.232 330 1HG2 THR 40 1HG2 THR 40 2.515 7.347 1.929 331 2HG2 THR 40 2HG2 THR 40 3.213 7.851 0.390 332 3HG2 THR 40 3HG2 THR 40 2.399 6.291 0.522 333 HA PRO 41 HA PRO 41 4.027 9.743 -3.425 334 1HB PRO 41 2HB PRO 41 5.406 11.378 -1.728 335 2HB PRO 41 1HB PRO 41 4.016 11.930 -2.679 336 1HG PRO 41 2HG PRO 41 4.229 11.488 0.190 337 2HG PRO 41 1HG PRO 41 2.994 12.362 -0.724 338 1HD PRO 41 2HD PRO 41 2.885 9.668 0.350 339 2HD PRO 41 1HD PRO 41 1.587 10.617 -0.404 340 H ALA 42 H ALA 42 4.917 9.558 0.052 341 HA ALA 42 HA ALA 42 7.422 8.494 0.026 342 1HB ALA 42 1HB ALA 42 5.925 6.881 1.836 343 2HB ALA 42 2HB ALA 42 5.111 8.443 1.731 344 3HB ALA 42 3HB ALA 42 6.811 8.364 2.191 345 H ASN 43 H ASN 43 4.470 6.604 -0.645 346 HA ASN 43 HA ASN 43 6.001 4.135 -1.131 347 1HB ASN 43 2HB ASN 43 3.085 4.911 -1.474 348 2HB ASN 43 1HB ASN 43 3.709 3.263 -1.574 349 1HD2 ASN 43 1HD2 ASN 43 1.778 4.121 0.425 350 2HD2 ASN 43 2HD2 ASN 43 2.528 3.984 1.949 351 H LEU 44 H LEU 44 3.766 6.138 -3.101 352 HA LEU 44 HA LEU 44 4.081 5.031 -5.605 353 1HB LEU 44 2HB LEU 44 3.661 7.751 -4.480 354 2HB LEU 44 1HB LEU 44 4.123 7.695 -6.180 355 HG LEU 44 HG LEU 44 1.640 7.627 -5.843 356 1HD1 LEU 44 1HD1 LEU 44 1.857 5.013 -6.957 357 2HD1 LEU 44 2HD1 LEU 44 3.294 5.914 -7.430 358 3HD1 LEU 44 3HD1 LEU 44 1.691 6.546 -7.811 359 1HD2 LEU 44 1HD2 LEU 44 1.864 6.241 -3.691 360 2HD2 LEU 44 2HD2 LEU 44 2.098 4.843 -4.741 361 3HD2 LEU 44 3HD2 LEU 44 0.587 5.751 -4.805 362 H LYS 45 H LYS 45 6.246 7.598 -4.294 363 HA LYS 45 HA LYS 45 8.149 7.541 -6.410 364 1HB LYS 45 2HB LYS 45 7.899 9.218 -4.529 365 2HB LYS 45 1HB LYS 45 8.645 8.036 -3.454 366 1HG LYS 45 2HG LYS 45 10.536 9.203 -4.095 367 2HG LYS 45 1HG LYS 45 10.493 7.995 -5.380 368 1HD LYS 45 2HD LYS 45 10.812 10.219 -6.351 369 2HD LYS 45 1HD LYS 45 9.230 9.590 -6.808 370 1HE LYS 45 2HE LYS 45 8.203 11.352 -5.821 371 2HE LYS 45 1HE LYS 45 9.042 11.024 -4.292 372 1HZ LYS 45 1HZ LYS 45 10.701 12.450 -4.783 373 2HZ LYS 45 2HZ LYS 45 9.544 13.165 -5.801 374 3HZ LYS 45 3HZ LYS 45 10.686 12.082 -6.440 375 H ALA 46 H ALA 46 7.998 5.685 -3.361 376 HA ALA 46 HA ALA 46 10.440 4.263 -3.569 377 1HB ALA 46 1HB ALA 46 9.514 3.630 -1.603 378 2HB ALA 46 2HB ALA 46 8.470 2.536 -2.512 379 3HB ALA 46 3HB ALA 46 7.921 4.169 -2.134 380 H LEU 47 H LEU 47 7.185 3.337 -4.763 381 HA LEU 47 HA LEU 47 7.771 0.876 -5.959 382 1HB LEU 47 2HB LEU 47 5.889 3.132 -6.361 383 2HB LEU 47 1HB LEU 47 6.065 2.056 -7.744 384 HG LEU 47 HG LEU 47 4.235 1.427 -6.093 385 1HD1 LEU 47 1HD1 LEU 47 5.852 -0.122 -7.649 386 2HD1 LEU 47 2HD1 LEU 47 4.483 -0.750 -6.731 387 3HD1 LEU 47 3HD1 LEU 47 6.114 -0.861 -6.069 388 1HD2 LEU 47 1HD2 LEU 47 6.167 0.081 -4.336 389 2HD2 LEU 47 2HD2 LEU 47 4.709 0.983 -3.922 390 3HD2 LEU 47 3HD2 LEU 47 6.223 1.840 -4.213 391 H GLU 48 H GLU 48 8.568 4.137 -7.062 392 HA GLU 48 HA GLU 48 9.429 3.384 -9.728 393 1HB GLU 48 2HB GLU 48 8.711 5.666 -8.809 394 2HB GLU 48 1HB GLU 48 10.309 5.758 -8.066 395 1HG GLU 48 2HG GLU 48 10.913 6.704 -10.051 396 2HG GLU 48 1HG GLU 48 10.974 5.032 -10.610 397 H ALA 49 H ALA 49 10.926 3.356 -6.561 398 HA ALA 49 HA ALA 49 13.679 3.288 -7.502 399 1HB ALA 49 1HB ALA 49 13.217 4.034 -5.279 400 2HB ALA 49 2HB ALA 49 13.982 2.455 -5.090 401 3HB ALA 49 3HB ALA 49 12.232 2.613 -4.933 402 H GLN 50 H GLN 50 11.622 0.763 -5.994 403 HA GLN 50 HA GLN 50 13.198 -1.486 -6.354 404 1HB GLN 50 2HB GLN 50 10.964 -1.366 -5.275 405 2HB GLN 50 1HB GLN 50 10.218 -1.220 -6.868 406 1HG GLN 50 2HG GLN 50 10.065 -3.535 -6.283 407 2HG GLN 50 1HG GLN 50 11.374 -3.417 -7.462 408 1HE2 GLN 50 1HE2 GLN 50 11.772 -5.615 -6.085 409 2HE2 GLN 50 2HE2 GLN 50 12.865 -5.433 -4.799 410 H LYS 51 H LYS 51 11.222 0.134 -8.836 411 HA LYS 51 HA LYS 51 11.735 -1.892 -10.867 412 1HB LYS 51 2HB LYS 51 9.927 0.118 -10.449 413 2HB LYS 51 1HB LYS 51 10.971 0.847 -11.671 414 1HG LYS 51 2HG LYS 51 10.706 -1.596 -12.758 415 2HG LYS 51 1HG LYS 51 9.182 -1.524 -11.875 416 1HD LYS 51 2HD LYS 51 8.444 -0.436 -13.737 417 2HD LYS 51 1HD LYS 51 9.226 0.959 -12.994 418 1HE LYS 51 2HE LYS 51 9.898 0.589 -15.400 419 2HE LYS 51 1HE LYS 51 11.273 0.540 -14.279 420 1HZ LYS 51 1HZ LYS 51 9.848 -1.964 -14.627 421 2HZ LYS 51 2HZ LYS 51 11.519 -1.670 -14.527 422 3HZ LYS 51 3HZ LYS 51 10.699 -1.429 -15.995 423 H GLN 52 H GLN 52 13.090 1.331 -10.121 424 HA GLN 52 HA GLN 52 14.725 1.685 -12.376 425 1HB GLN 52 2HB GLN 52 14.769 2.474 -9.490 426 2HB GLN 52 1HB GLN 52 16.209 2.804 -10.455 427 1HG GLN 52 2HG GLN 52 14.387 3.711 -12.183 428 2HG GLN 52 1HG GLN 52 13.461 3.947 -10.700 429 1HE2 GLN 52 1HE2 GLN 52 15.285 5.714 -12.697 430 2HE2 GLN 52 2HE2 GLN 52 16.090 6.727 -11.598 431 H LYS 53 H LYS 53 17.340 1.626 -11.852 432 HA LYS 53 HA LYS 53 17.915 -1.200 -11.033 433 1HB LYS 53 2HB LYS 53 19.394 -1.327 -12.946 434 2HB LYS 53 1HB LYS 53 17.839 -0.711 -13.503 435 1HG LYS 53 2HG LYS 53 18.863 1.122 -14.303 436 2HG LYS 53 1HG LYS 53 19.387 1.527 -12.667 437 1HD LYS 53 2HD LYS 53 21.511 1.069 -13.246 438 2HD LYS 53 1HD LYS 53 21.045 -0.600 -13.576 439 1HE LYS 53 2HE LYS 53 20.385 1.437 -15.670 440 2HE LYS 53 1HE LYS 53 22.081 0.942 -15.504 441 1HZ LYS 53 1HZ LYS 53 20.734 -0.525 -16.985 442 2HZ LYS 53 2HZ LYS 53 19.816 -0.973 -15.628 443 3HZ LYS 53 3HZ LYS 53 21.474 -1.334 -15.692 444 H GLU 54 H GLU 54 18.835 2.152 -10.795 445 HA GLU 54 HA GLU 54 21.451 1.404 -9.557 446 1HB GLU 54 2HB GLU 54 21.298 3.085 -11.418 447 2HB GLU 54 1HB GLU 54 20.328 4.106 -10.354 448 1HG GLU 54 2HG GLU 54 23.038 3.092 -9.505 449 2HG GLU 54 1HG GLU 54 22.869 4.572 -10.452 450 H GLN 55 H GLN 55 21.513 1.316 -7.353 451 HA GLN 55 HA GLN 55 20.148 3.349 -5.723 452 1HB GLN 55 2HB GLN 55 18.656 1.211 -6.438 453 2HB GLN 55 1HB GLN 55 19.446 0.544 -5.008 454 1HG GLN 55 2HG GLN 55 17.932 3.173 -5.092 455 2HG GLN 55 1HG GLN 55 17.296 1.660 -4.446 456 1HE2 GLN 55 1HE2 GLN 55 19.494 4.337 -3.810 457 2HE2 GLN 55 2HE2 GLN 55 19.903 3.872 -2.229 458 H ARG 56 HN ARG 56 22.880 2.028 -6.277 459 HA ARG 56 HA ARG 56 23.522 1.286 -3.437 460 1HB ARG 56 2HB ARG 56 23.711 -0.351 -5.474 461 2HB ARG 56 1HB ARG 56 25.165 0.572 -5.857 462 1HG ARG 56 2HG ARG 56 26.265 -0.720 -4.376 463 2HG ARG 56 1HG ARG 56 25.341 0.080 -3.104 464 1HD ARG 56 2HD ARG 56 24.010 -2.165 -4.577 465 2HD ARG 56 1HD ARG 56 25.249 -2.571 -3.373 466 HE ARG 56 HE ARG 56 22.691 -1.189 -2.813 467 1HH1 ARG 56 1HH2 ARG 56 24.626 -3.485 -1.569 468 2HH1 ARG 56 2HH2 ARG 56 24.802 -2.804 0.013 469 1HH2 ARG 56 1HH1 ARG 56 23.431 0.260 -0.860 470 2HH2 ARG 56 2HH1 ARG 56 24.128 -0.683 0.414 Start of MODEL 9 1 1H MET 1 1H MET 1 -9.145 8.690 -3.711 2 2H MET 1 2H MET 1 -10.138 7.750 -2.702 3 3H MET 1 3H MET 1 -9.547 7.104 -4.158 4 HA MET 1 HA MET 1 -7.553 8.042 -2.246 5 1HB MET 1 2HB MET 1 -9.548 6.828 -1.068 6 2HB MET 1 1HB MET 1 -8.940 5.378 -1.882 7 1HG MET 1 2HG MET 1 -7.115 5.248 -0.557 8 2HG MET 1 1HG MET 1 -6.845 6.988 -0.587 9 1HE MET 1 1HE MET 1 -5.993 5.811 1.489 10 2HE MET 1 2HE MET 1 -7.029 4.712 2.394 11 3HE MET 1 3HE MET 1 -6.735 6.337 3.004 12 H LYS 2 H LYS 2 -6.050 7.886 -4.046 13 HA LYS 2 HA LYS 2 -6.003 5.798 -5.951 14 1HB LYS 2 2HB LYS 2 -3.970 7.635 -4.722 15 2HB LYS 2 1HB LYS 2 -3.420 6.355 -5.803 16 1HG LYS 2 2HG LYS 2 -4.345 7.323 -7.650 17 2HG LYS 2 1HG LYS 2 -5.737 7.938 -6.757 18 1HD LYS 2 2HD LYS 2 -3.931 9.510 -5.635 19 2HD LYS 2 1HD LYS 2 -3.020 9.161 -7.104 20 1HE LYS 2 2HE LYS 2 -4.233 11.024 -7.814 21 2HE LYS 2 1HE LYS 2 -5.376 9.739 -8.252 22 1HZ LYS 2 1HZ LYS 2 -5.897 10.089 -5.637 23 2HZ LYS 2 2HZ LYS 2 -6.771 10.832 -6.892 24 3HZ LYS 2 3HZ LYS 2 -5.524 11.676 -6.106 25 H VAL 3 H VAL 3 -4.891 3.657 -5.857 26 HA VAL 3 HA VAL 3 -4.223 2.911 -3.060 27 HB VAL 3 HB VAL 3 -6.125 1.984 -5.129 28 1HG1 VAL 3 1HG1 VAL 3 -4.915 -0.033 -4.724 29 2HG1 VAL 3 2HG1 VAL 3 -6.441 -0.133 -3.843 30 3HG1 VAL 3 3HG1 VAL 3 -4.939 0.221 -2.983 31 1HG2 VAL 3 1HG2 VAL 3 -6.761 1.760 -2.314 32 2HG2 VAL 3 2HG2 VAL 3 -7.544 2.707 -3.578 33 3HG2 VAL 3 3HG2 VAL 3 -6.148 3.362 -2.732 34 H ILE 4 H ILE 4 -2.483 1.723 -2.726 35 HA ILE 4 HA ILE 4 -0.888 0.684 -4.994 36 HB ILE 4 HB ILE 4 -0.569 1.636 -2.179 37 1HG1 ILE 4 2HG1 ILE 4 0.221 2.423 -4.777 38 2HG1 ILE 4 1HG1 ILE 4 0.614 3.218 -3.262 39 1HG2 ILE 4 1HG2 ILE 4 1.784 0.498 -2.278 40 2HG2 ILE 4 2HG2 ILE 4 0.964 -0.635 -3.353 41 3HG2 ILE 4 3HG2 ILE 4 0.387 -0.400 -1.707 42 1HD1 ILE 4 1HD1 ILE 4 2.238 1.142 -4.744 43 2HD1 ILE 4 2HD1 ILE 4 2.558 1.559 -3.061 44 3HD1 ILE 4 3HD1 ILE 4 2.709 2.786 -4.314 45 H PHE 5 H PHE 5 -2.182 -1.345 -5.352 46 HA PHE 5 HA PHE 5 -2.863 -3.055 -3.098 47 1HB PHE 5 2HB PHE 5 -2.591 -3.357 -6.064 48 2HB PHE 5 1HB PHE 5 -2.652 -4.809 -5.084 49 HD1 PHE 5 HD1 PHE 5 -4.696 -5.731 -4.507 50 HD2 PHE 5 HD2 PHE 5 -4.543 -1.584 -5.628 51 HE1 PHE 5 HE1 PHE 5 -7.161 -5.636 -4.476 52 HE2 PHE 5 HE2 PHE 5 -7.020 -1.494 -5.582 53 HZ PHE 5 HZ PHE 5 -8.319 -3.522 -5.021 54 H LEU 6 H LEU 6 -1.356 -4.239 -1.929 55 HA LEU 6 HA LEU 6 1.439 -4.272 -2.775 56 1HB LEU 6 2HB LEU 6 1.702 -5.552 -0.643 57 2HB LEU 6 1HB LEU 6 0.780 -4.069 -0.403 58 HG LEU 6 HG LEU 6 -1.144 -5.987 -1.081 59 1HD1 LEU 6 1HD1 LEU 6 0.643 -7.129 1.070 60 2HD1 LEU 6 2HD1 LEU 6 0.771 -7.635 -0.615 61 3HD1 LEU 6 3HD1 LEU 6 -0.730 -7.899 0.273 62 1HD2 LEU 6 1HD2 LEU 6 -1.872 -4.569 0.563 63 2HD2 LEU 6 2HD2 LEU 6 -0.278 -4.461 1.310 64 3HD2 LEU 6 3HD2 LEU 6 -1.308 -5.855 1.631 65 H LYS 7 H LYS 7 -1.359 -6.340 -2.866 66 HA LYS 7 HA LYS 7 0.258 -8.471 -4.228 67 1HB LYS 7 2HB LYS 7 -1.986 -8.490 -2.256 68 2HB LYS 7 1HB LYS 7 -1.990 -9.755 -3.488 69 1HG LYS 7 2HG LYS 7 0.227 -10.467 -2.858 70 2HG LYS 7 1HG LYS 7 0.398 -9.104 -1.753 71 1HD LYS 7 2HD LYS 7 -0.711 -10.183 -0.104 72 2HD LYS 7 1HD LYS 7 -2.013 -10.654 -1.198 73 1HE LYS 7 2HE LYS 7 0.676 -12.050 -1.239 74 2HE LYS 7 1HE LYS 7 -0.649 -12.583 -0.187 75 1HZ LYS 7 1HZ LYS 7 -2.023 -13.014 -1.980 76 2HZ LYS 7 2HZ LYS 7 -0.515 -13.537 -2.559 77 3HZ LYS 7 3HZ LYS 7 -1.136 -12.031 -3.043 78 H ASP 8 H ASP 8 -1.838 -9.839 -5.375 79 HA ASP 8 HA ASP 8 -3.038 -7.758 -7.174 80 1HB ASP 8 2HB ASP 8 -2.594 -9.204 -8.992 81 2HB ASP 8 1HB ASP 8 -1.165 -9.362 -7.971 82 H VAL 9 H VAL 9 -5.164 -8.369 -8.098 83 HA VAL 9 HA VAL 9 -6.768 -9.999 -6.180 84 HB VAL 9 HB VAL 9 -7.835 -8.270 -8.416 85 1HG1 VAL 9 1HG1 VAL 9 -9.251 -7.890 -6.034 86 2HG1 VAL 9 2HG1 VAL 9 -8.850 -9.607 -6.032 87 3HG1 VAL 9 3HG1 VAL 9 -9.743 -8.912 -7.385 88 1HG2 VAL 9 1HG2 VAL 9 -6.945 -7.271 -5.686 89 2HG2 VAL 9 2HG2 VAL 9 -7.690 -6.309 -6.962 90 3HG2 VAL 9 3HG2 VAL 9 -6.072 -6.970 -7.189 91 H LYS 10 H LYS 10 -8.907 -10.502 -8.140 92 HA LYS 10 HA LYS 10 -7.736 -12.874 -9.416 93 1HB LYS 10 2HB LYS 10 -10.090 -13.331 -9.973 94 2HB LYS 10 1HB LYS 10 -9.936 -12.868 -8.278 95 1HG LYS 10 2HG LYS 10 -10.271 -10.432 -9.542 96 2HG LYS 10 1HG LYS 10 -11.331 -11.496 -10.466 97 1HD LYS 10 2HD LYS 10 -11.340 -11.457 -7.446 98 2HD LYS 10 1HD LYS 10 -12.363 -10.383 -8.402 99 1HE LYS 10 2HE LYS 10 -13.038 -12.623 -9.643 100 2HE LYS 10 1HE LYS 10 -12.499 -13.371 -8.125 101 1HZ LYS 10 1HZ LYS 10 -14.927 -12.306 -8.454 102 2HZ LYS 10 2HZ LYS 10 -14.089 -10.958 -7.848 103 3HZ LYS 10 3HZ LYS 10 -14.140 -12.402 -6.953 104 H GLY 11 H GLY 11 -6.360 -11.126 -10.740 105 1HA GLY 11 2HA GLY 11 -5.890 -10.637 -13.015 106 2HA GLY 11 1HA GLY 11 -7.543 -11.092 -13.426 107 H LYS 12 H LYS 12 -6.963 -8.806 -10.840 108 HA LYS 12 HA LYS 12 -7.853 -6.600 -12.671 109 1HB LYS 12 2HB LYS 12 -9.319 -7.823 -10.691 110 2HB LYS 12 1HB LYS 12 -8.634 -6.441 -9.836 111 1HG LYS 12 2HG LYS 12 -10.088 -6.258 -12.490 112 2HG LYS 12 1HG LYS 12 -10.830 -5.922 -10.925 113 1HD LYS 12 2HD LYS 12 -8.309 -4.513 -11.809 114 2HD LYS 12 1HD LYS 12 -9.906 -3.906 -12.245 115 1HE LYS 12 2HE LYS 12 -10.519 -3.897 -9.810 116 2HE LYS 12 1HE LYS 12 -8.841 -4.340 -9.435 117 1HZ LYS 12 1HZ LYS 12 -9.699 -1.809 -9.779 118 2HZ LYS 12 2HZ LYS 12 -9.119 -2.178 -11.332 119 3HZ LYS 12 3HZ LYS 12 -8.093 -2.313 -9.985 120 H GLY 13 H GLY 13 -6.764 -6.859 -9.255 121 1HA GLY 13 2HA GLY 13 -5.036 -4.499 -9.678 122 2HA GLY 13 1HA GLY 13 -5.340 -5.285 -8.123 123 H LYS 14 H LYS 14 -2.713 -4.661 -8.847 124 HA LYS 14 HA LYS 14 -1.561 -7.394 -9.225 125 1HB LYS 14 2HB LYS 14 -0.866 -4.811 -10.650 126 2HB LYS 14 1HB LYS 14 0.184 -6.227 -10.672 127 1HG LYS 14 2HG LYS 14 -1.868 -7.534 -11.503 128 2HG LYS 14 1HG LYS 14 -2.607 -5.962 -11.799 129 1HD LYS 14 2HD LYS 14 -0.478 -5.388 -13.120 130 2HD LYS 14 1HD LYS 14 -0.112 -7.113 -13.057 131 1HE LYS 14 2HE LYS 14 -2.010 -7.687 -14.352 132 2HE LYS 14 1HE LYS 14 -2.797 -6.127 -14.046 133 1HZ LYS 14 1HZ LYS 14 -0.582 -5.233 -15.094 134 2HZ LYS 14 2HZ LYS 14 -1.877 -5.714 -16.084 135 3HZ LYS 14 3HZ LYS 14 -0.558 -6.758 -15.833 136 H LYS 15 H LYS 15 0.880 -7.275 -8.648 137 HA LYS 15 HA LYS 15 1.308 -6.654 -5.985 138 1HB LYS 15 2HB LYS 15 3.622 -6.985 -6.525 139 2HB LYS 15 1HB LYS 15 2.713 -7.935 -7.702 140 1HG LYS 15 2HG LYS 15 3.802 -5.139 -8.162 141 2HG LYS 15 1HG LYS 15 4.497 -6.625 -8.807 142 1HD LYS 15 2HD LYS 15 2.263 -7.063 -9.930 143 2HD LYS 15 1HD LYS 15 1.786 -5.427 -9.460 144 1HE LYS 15 2HE LYS 15 3.255 -4.429 -10.947 145 2HE LYS 15 1HE LYS 15 4.408 -5.777 -10.877 146 1HZ LYS 15 1HZ LYS 15 2.672 -7.168 -11.954 147 2HZ LYS 15 2HZ LYS 15 3.259 -5.922 -12.948 148 3HZ LYS 15 3HZ LYS 15 1.746 -5.767 -12.194 149 H GLY 16 H GLY 16 1.880 -4.835 -4.815 150 1HA GLY 16 2HA GLY 16 1.624 -2.469 -4.443 151 2HA GLY 16 1HA GLY 16 3.201 -2.532 -5.191 152 H GLU 17 H GLU 17 0.032 -3.080 -6.756 153 HA GLU 17 HA GLU 17 0.774 -1.213 -8.875 154 1HB GLU 17 2HB GLU 17 -0.909 -2.270 -9.987 155 2HB GLU 17 1HB GLU 17 -0.868 -3.408 -8.645 156 1HG GLU 17 2HG GLU 17 -2.745 -2.405 -7.600 157 2HG GLU 17 1HG GLU 17 -2.604 -0.930 -8.550 158 H ILE 18 H ILE 18 0.381 0.947 -8.841 159 HA ILE 18 HA ILE 18 -1.376 2.005 -6.635 160 HB ILE 18 HB ILE 18 0.658 3.471 -8.343 161 1HG1 ILE 18 2HG1 ILE 18 1.899 3.055 -5.951 162 2HG1 ILE 18 1HG1 ILE 18 1.079 1.510 -6.180 163 1HG2 ILE 18 1HG2 ILE 18 -1.144 4.121 -6.186 164 2HG2 ILE 18 2HG2 ILE 18 -0.120 5.196 -7.134 165 3HG2 ILE 18 3HG2 ILE 18 0.521 4.409 -5.695 166 1HD1 ILE 18 1HD1 ILE 18 2.110 1.302 -8.414 167 2HD1 ILE 18 2HD1 ILE 18 3.344 1.482 -7.172 168 3HD1 ILE 18 3HD1 ILE 18 2.912 2.855 -8.191 169 H LYS 19 H LYS 19 -3.256 2.694 -7.294 170 HA LYS 19 HA LYS 19 -3.618 4.427 -9.620 171 1HB LYS 19 2HB LYS 19 -3.645 1.836 -10.236 172 2HB LYS 19 1HB LYS 19 -5.263 1.897 -9.542 173 1HG LYS 19 2HG LYS 19 -5.909 3.661 -11.098 174 2HG LYS 19 1HG LYS 19 -4.263 3.738 -11.734 175 1HD LYS 19 2HD LYS 19 -4.732 2.085 -13.181 176 2HD LYS 19 1HD LYS 19 -5.132 1.016 -11.835 177 1HE LYS 19 2HE LYS 19 -7.411 2.351 -11.825 178 2HE LYS 19 1HE LYS 19 -6.961 2.719 -13.503 179 1HZ LYS 19 1HZ LYS 19 -6.308 0.107 -13.262 180 2HZ LYS 19 2HZ LYS 19 -7.746 0.686 -13.955 181 3HZ LYS 19 3HZ LYS 19 -7.721 0.198 -12.328 182 H ASN 20 H ASN 20 -6.532 3.115 -9.164 183 HA ASN 20 HA ASN 20 -7.066 4.032 -6.430 184 1HB ASN 20 2HB ASN 20 -8.680 5.723 -7.059 185 2HB ASN 20 1HB ASN 20 -7.172 6.087 -7.927 186 1HD2 ASN 20 1HD2 ASN 20 -7.110 5.655 -10.266 187 2HD2 ASN 20 2HD2 ASN 20 -8.539 5.405 -11.148 188 H VAL 21 H VAL 21 -8.277 2.524 -5.654 189 HA VAL 21 HA VAL 21 -9.857 0.732 -7.390 190 HB VAL 21 HB VAL 21 -8.357 0.238 -5.311 191 1HG1 VAL 21 1HG1 VAL 21 -10.610 0.606 -3.525 192 2HG1 VAL 21 2HG1 VAL 21 -9.944 2.119 -4.140 193 3HG1 VAL 21 3HG1 VAL 21 -8.904 0.981 -3.292 194 1HG2 VAL 21 1HG2 VAL 21 -10.178 -1.361 -4.364 195 2HG2 VAL 21 2HG2 VAL 21 -9.483 -1.631 -5.959 196 3HG2 VAL 21 3HG2 VAL 21 -11.060 -0.855 -5.804 197 H ALA 22 H ALA 22 -11.806 0.640 -4.992 198 HA ALA 22 HA ALA 22 -13.495 2.873 -5.937 199 1HB ALA 22 1HB ALA 22 -15.095 1.590 -4.963 200 2HB ALA 22 2HB ALA 22 -14.297 1.743 -3.405 201 3HB ALA 22 3HB ALA 22 -13.840 0.447 -4.503 202 H ASP 23 H ASP 23 -12.818 4.863 -5.316 203 HA ASP 23 HA ASP 23 -10.835 5.748 -3.783 204 1HB ASP 23 2HB ASP 23 -13.405 6.680 -4.656 205 2HB ASP 23 1HB ASP 23 -13.140 7.298 -3.034 206 H GLY 24 H GLY 24 -13.831 4.398 -2.390 207 1HA GLY 24 2HA GLY 24 -12.747 4.926 0.338 208 2HA GLY 24 1HA GLY 24 -14.406 4.437 -0.020 209 H TYR 25 H TYR 25 -13.704 2.327 -1.852 210 HA TYR 25 HA TYR 25 -13.497 -0.015 -0.294 211 1HB TYR 25 2HB TYR 25 -14.047 0.002 -2.647 212 2HB TYR 25 1HB TYR 25 -12.572 0.867 -3.030 213 HD1 TYR 25 HD1 TYR 25 -11.449 -1.592 -0.807 214 HD2 TYR 25 HD2 TYR 25 -12.995 -1.154 -4.784 215 HE1 TYR 25 HE1 TYR 25 -10.416 -3.702 -1.467 216 HE2 TYR 25 HE2 TYR 25 -11.950 -3.290 -5.426 217 HH TYR 25 HH TYR 25 -9.898 -4.660 -4.536 218 H ALA 26 H ALA 26 -11.052 1.694 -2.098 219 HA ALA 26 HA ALA 26 -8.613 0.620 -1.527 220 1HB ALA 26 1HB ALA 26 -9.553 3.497 -1.060 221 2HB ALA 26 2HB ALA 26 -9.066 2.820 -2.607 222 3HB ALA 26 3HB ALA 26 -7.873 3.042 -1.325 223 H ASN 27 H ASN 27 -9.998 2.959 0.853 224 HA ASN 27 HA ASN 27 -8.299 1.776 2.953 225 1HB ASN 27 2HB ASN 27 -8.831 4.271 2.438 226 2HB ASN 27 1HB ASN 27 -10.324 3.961 3.317 227 1HD2 ASN 27 1HD2 ASN 27 -10.251 3.698 5.558 228 2HD2 ASN 27 2HD2 ASN 27 -8.840 3.919 6.455 229 H ASN 28 H ASN 28 -10.602 0.124 1.961 230 HA ASN 28 HA ASN 28 -11.859 -0.251 4.636 231 1HB ASN 28 2HB ASN 28 -13.082 0.939 2.323 232 2HB ASN 28 1HB ASN 28 -13.893 -0.589 2.675 233 1HD2 ASN 28 1HD2 ASN 28 -14.657 2.391 3.213 234 2HD2 ASN 28 2HD2 ASN 28 -15.096 2.389 4.853 235 H PHE 29 H PHE 29 -10.138 -1.606 2.262 236 HA PHE 29 HA PHE 29 -10.952 -4.344 2.963 237 1HB PHE 29 2HB PHE 29 -12.579 -3.858 1.231 238 2HB PHE 29 1HB PHE 29 -11.384 -3.029 0.273 239 HD1 PHE 29 HD1 PHE 29 -12.596 -4.606 -1.448 240 HD2 PHE 29 HD2 PHE 29 -9.878 -5.994 1.559 241 HE1 PHE 29 HE1 PHE 29 -12.092 -6.597 -2.817 242 HE2 PHE 29 HE2 PHE 29 -9.353 -7.960 0.189 243 HZ PHE 29 HZ PHE 29 -10.475 -8.293 -1.996 244 H LEU 30 H LEU 30 -9.129 -2.368 0.628 245 HA LEU 30 HA LEU 30 -6.994 -4.363 0.403 246 1HB LEU 30 2HB LEU 30 -6.989 -1.485 -0.565 247 2HB LEU 30 1HB LEU 30 -6.195 -2.882 -1.300 248 HG LEU 30 HG LEU 30 -9.141 -2.661 -0.957 249 1HD1 LEU 30 1HD1 LEU 30 -7.406 -1.574 -3.094 250 2HD1 LEU 30 2HD1 LEU 30 -8.983 -1.017 -2.534 251 3HD1 LEU 30 3HD1 LEU 30 -8.869 -2.405 -3.616 252 1HD2 LEU 30 1HD2 LEU 30 -8.732 -4.294 -3.096 253 2HD2 LEU 30 2HD2 LEU 30 -8.924 -4.880 -1.446 254 3HD2 LEU 30 3HD2 LEU 30 -7.313 -4.661 -2.129 255 H PHE 31 H PHE 31 -7.592 -1.346 1.960 256 HA PHE 31 HA PHE 31 -4.872 -1.144 3.053 257 1HB PHE 31 2HB PHE 31 -7.495 0.285 3.356 258 2HB PHE 31 1HB PHE 31 -5.981 0.864 4.015 259 HD1 PHE 31 HD1 PHE 31 -6.865 2.825 2.498 260 HD2 PHE 31 HD2 PHE 31 -5.251 -0.839 0.942 261 HE1 PHE 31 HE1 PHE 31 -6.294 3.978 0.405 262 HE2 PHE 31 HE2 PHE 31 -4.671 0.348 -1.160 263 HZ PHE 31 HZ PHE 31 -5.185 2.743 -1.411 264 H LYS 32 H LYS 32 -8.188 -1.435 4.372 265 HA LYS 32 HA LYS 32 -7.437 -1.855 7.095 266 1HB LYS 32 2HB LYS 32 -9.767 -1.749 5.432 267 2HB LYS 32 1HB LYS 32 -9.893 -3.170 6.469 268 1HG LYS 32 2HG LYS 32 -10.668 -1.693 8.017 269 2HG LYS 32 1HG LYS 32 -8.962 -1.305 8.238 270 1HD LYS 32 2HD LYS 32 -9.456 0.296 6.150 271 2HD LYS 32 1HD LYS 32 -11.087 0.233 6.818 272 1HE LYS 32 2HE LYS 32 -10.202 2.027 8.029 273 2HE LYS 32 1HE LYS 32 -9.774 0.683 9.108 274 1HZ LYS 32 1HZ LYS 32 -7.617 0.664 8.395 275 2HZ LYS 32 2HZ LYS 32 -7.944 2.325 8.237 276 3HZ LYS 32 3HZ LYS 32 -7.985 1.313 6.873 277 H GLN 33 H GLN 33 -7.004 -3.917 4.418 278 HA GLN 33 HA GLN 33 -6.826 -6.280 6.258 279 1HB GLN 33 2HB GLN 33 -7.480 -6.280 3.299 280 2HB GLN 33 1HB GLN 33 -7.581 -7.644 4.407 281 1HG GLN 33 2HG GLN 33 -9.176 -5.945 5.734 282 2HG GLN 33 1HG GLN 33 -9.424 -5.322 4.103 283 1HE2 GLN 33 1HE2 GLN 33 -9.291 -7.674 2.570 284 2HE2 GLN 33 2HE2 GLN 33 -10.552 -8.718 3.017 285 H GLY 34 H GLY 34 -5.784 -6.963 3.090 286 1HA GLY 34 2HA GLY 34 -3.034 -6.014 3.541 287 2HA GLY 34 1HA GLY 34 -3.251 -7.761 3.573 288 H LEU 35 H LEU 35 -4.992 -5.505 1.435 289 HA LEU 35 HA LEU 35 -3.798 -6.976 -0.889 290 1HB LEU 35 2HB LEU 35 -6.149 -5.086 -0.820 291 2HB LEU 35 1HB LEU 35 -5.724 -6.195 -2.108 292 HG LEU 35 HG LEU 35 -5.938 -7.917 -0.027 293 1HD1 LEU 35 1HD1 LEU 35 -8.064 -5.800 0.381 294 2HD1 LEU 35 2HD1 LEU 35 -6.713 -6.078 1.476 295 3HD1 LEU 35 3HD1 LEU 35 -7.938 -7.324 1.253 296 1HD2 LEU 35 1HD2 LEU 35 -8.295 -6.940 -1.640 297 2HD2 LEU 35 2HD2 LEU 35 -7.970 -8.586 -1.098 298 3HD2 LEU 35 3HD2 LEU 35 -6.974 -7.860 -2.360 299 H ALA 36 H ALA 36 -4.498 -3.773 0.411 300 HA ALA 36 HA ALA 36 -2.286 -2.608 -1.230 301 1HB ALA 36 1HB ALA 36 -3.736 -1.057 -2.301 302 2HB ALA 36 2HB ALA 36 -5.057 -1.421 -1.189 303 3HB ALA 36 3HB ALA 36 -4.580 -2.603 -2.405 304 H ILE 37 H ILE 37 -2.365 -0.098 -0.839 305 HA ILE 37 HA ILE 37 -3.192 0.606 1.940 306 HB ILE 37 HB ILE 37 -0.963 1.495 2.434 307 1HG1 ILE 37 2HG1 ILE 37 -0.378 0.523 -0.366 308 2HG1 ILE 37 1HG1 ILE 37 -0.217 2.163 0.250 309 1HG2 ILE 37 1HG2 ILE 37 0.271 -0.667 2.477 310 2HG2 ILE 37 2HG2 ILE 37 -0.952 -1.354 1.409 311 3HG2 ILE 37 3HG2 ILE 37 -1.396 -0.823 3.032 312 1HD1 ILE 37 1HD1 ILE 37 1.325 0.368 1.894 313 2HD1 ILE 37 2HD1 ILE 37 1.882 1.742 0.941 314 3HD1 ILE 37 3HD1 ILE 37 1.770 0.145 0.202 315 H GLU 38 H GLU 38 -3.191 2.958 2.243 316 HA GLU 38 HA GLU 38 -4.415 4.455 0.199 317 1HB GLU 38 2HB GLU 38 -4.473 5.153 2.492 318 2HB GLU 38 1HB GLU 38 -2.714 5.203 2.587 319 1HG GLU 38 2HG GLU 38 -3.029 6.972 0.605 320 2HG GLU 38 1HG GLU 38 -4.604 7.168 1.371 321 H ALA 39 H ALA 39 -3.510 4.743 -1.866 322 HA ALA 39 HA ALA 39 -0.735 4.703 -2.471 323 1HB ALA 39 1HB ALA 39 -2.920 6.418 -3.703 324 2HB ALA 39 2HB ALA 39 -2.593 4.734 -4.111 325 3HB ALA 39 3HB ALA 39 -1.401 5.978 -4.486 326 H THR 40 H THR 40 0.590 5.863 -0.974 327 HA THR 40 HA THR 40 0.122 8.823 -0.778 328 HB THR 40 HB THR 40 0.262 8.139 1.421 329 HG1 THR 40 HG1 THR 40 3.023 8.058 0.844 330 1HG2 THR 40 1HG2 THR 40 1.913 6.227 2.070 331 2HG2 THR 40 2HG2 THR 40 1.912 5.860 0.345 332 3HG2 THR 40 3HG2 THR 40 0.408 5.797 1.263 333 HA PRO 41 HA PRO 41 3.610 9.754 -3.218 334 1HB PRO 41 2HB PRO 41 4.970 11.573 -1.675 335 2HB PRO 41 1HB PRO 41 3.519 11.988 -2.611 336 1HG PRO 41 2HG PRO 41 3.783 11.362 0.291 337 2HG PRO 41 1HG PRO 41 2.807 12.603 -0.512 338 1HD PRO 41 2HD PRO 41 1.743 10.292 0.385 339 2HD PRO 41 1HD PRO 41 1.126 11.125 -1.053 340 H ALA 42 H ALA 42 4.585 9.679 0.246 341 HA ALA 42 HA ALA 42 7.160 8.778 0.170 342 1HB ALA 42 1HB ALA 42 4.824 8.429 1.888 343 2HB ALA 42 2HB ALA 42 6.502 8.736 2.337 344 3HB ALA 42 3HB ALA 42 5.957 7.086 2.037 345 H ASN 43 H ASN 43 4.426 6.438 0.137 346 HA ASN 43 HA ASN 43 6.059 4.180 -0.600 347 1HB ASN 43 2HB ASN 43 3.084 4.671 -0.983 348 2HB ASN 43 1HB ASN 43 3.878 3.099 -0.882 349 1HD2 ASN 43 1HD2 ASN 43 1.855 3.689 0.974 350 2HD2 ASN 43 2HD2 ASN 43 2.547 3.920 2.516 351 H LEU 44 H LEU 44 3.803 6.184 -2.518 352 HA LEU 44 HA LEU 44 3.976 4.986 -5.004 353 1HB LEU 44 2HB LEU 44 3.521 7.667 -3.886 354 2HB LEU 44 1HB LEU 44 4.066 7.690 -5.564 355 HG LEU 44 HG LEU 44 1.600 7.553 -5.425 356 1HD1 LEU 44 1HD1 LEU 44 3.230 6.163 -7.074 357 2HD1 LEU 44 2HD1 LEU 44 1.474 6.104 -7.193 358 3HD1 LEU 44 3HD1 LEU 44 2.342 4.826 -6.343 359 1HD2 LEU 44 1HD2 LEU 44 0.476 5.935 -4.215 360 2HD2 LEU 44 2HD2 LEU 44 1.920 6.079 -3.216 361 3HD2 LEU 44 3HD2 LEU 44 1.782 4.760 -4.376 362 H LYS 45 H LYS 45 6.429 7.011 -3.424 363 HA LYS 45 HA LYS 45 8.151 7.345 -5.699 364 1HB LYS 45 2HB LYS 45 8.273 8.638 -3.598 365 2HB LYS 45 1HB LYS 45 8.735 7.176 -2.723 366 1HG LYS 45 2HG LYS 45 10.722 6.978 -4.271 367 2HG LYS 45 1HG LYS 45 10.303 8.567 -4.912 368 1HD LYS 45 2HD LYS 45 11.086 7.879 -2.070 369 2HD LYS 45 1HD LYS 45 11.945 8.930 -3.197 370 1HE LYS 45 2HE LYS 45 10.035 10.507 -3.192 371 2HE LYS 45 1HE LYS 45 9.183 9.459 -2.042 372 1HZ LYS 45 1HZ LYS 45 11.757 9.781 -1.062 373 2HZ LYS 45 2HZ LYS 45 10.326 10.434 -0.422 374 3HZ LYS 45 3HZ LYS 45 11.250 11.331 -1.529 375 H ALA 46 H ALA 46 8.255 4.976 -3.007 376 HA ALA 46 HA ALA 46 10.445 3.430 -3.856 377 1HB ALA 46 1HB ALA 46 9.532 1.782 -2.380 378 2HB ALA 46 2HB ALA 46 7.880 2.313 -2.697 379 3HB ALA 46 3HB ALA 46 8.965 3.326 -1.743 380 H LEU 47 H LEU 47 7.000 3.048 -4.757 381 HA LEU 47 HA LEU 47 7.422 0.824 -6.543 382 1HB LEU 47 2HB LEU 47 5.312 2.962 -6.185 383 2HB LEU 47 1HB LEU 47 5.169 1.741 -7.442 384 HG LEU 47 HG LEU 47 4.098 1.374 -5.044 385 1HD1 LEU 47 1HD1 LEU 47 3.907 -0.868 -5.590 386 2HD1 LEU 47 2HD1 LEU 47 5.581 -0.986 -6.130 387 3HD1 LEU 47 3HD1 LEU 47 4.382 -0.184 -7.144 388 1HD2 LEU 47 1HD2 LEU 47 6.182 1.663 -3.783 389 2HD2 LEU 47 2HD2 LEU 47 6.931 0.355 -4.698 390 3HD2 LEU 47 3HD2 LEU 47 5.588 0.012 -3.607 391 H GLU 48 H GLU 48 6.951 4.315 -7.147 392 HA GLU 48 HA GLU 48 7.264 4.386 -9.927 393 1HB GLU 48 2HB GLU 48 6.617 6.352 -8.809 394 2HB GLU 48 1HB GLU 48 7.934 6.233 -7.641 395 1HG GLU 48 2HG GLU 48 8.483 8.014 -9.176 396 2HG GLU 48 1HG GLU 48 9.543 6.652 -9.546 397 H ALA 49 H ALA 49 9.763 4.055 -7.422 398 HA ALA 49 HA ALA 49 12.014 4.555 -9.170 399 1HB ALA 49 1HB ALA 49 13.216 4.118 -7.246 400 2HB ALA 49 2HB ALA 49 12.219 2.724 -6.823 401 3HB ALA 49 3HB ALA 49 11.629 4.357 -6.514 402 H GLN 50 H GLN 50 10.382 1.559 -8.090 403 HA GLN 50 HA GLN 50 12.125 -0.149 -9.714 404 1HB GLN 50 2HB GLN 50 10.637 -0.508 -7.491 405 2HB GLN 50 1HB GLN 50 9.468 -1.053 -8.695 406 1HG GLN 50 2HG GLN 50 12.012 -2.165 -9.372 407 2HG GLN 50 1HG GLN 50 11.720 -2.475 -7.661 408 1HE2 GLN 50 1HE2 GLN 50 11.653 -4.749 -9.115 409 2HE2 GLN 50 2HE2 GLN 50 10.066 -5.264 -9.428 410 H LYS 51 H LYS 51 9.240 1.688 -10.202 411 HA LYS 51 HA LYS 51 8.331 0.102 -12.526 412 1HB LYS 51 2HB LYS 51 6.852 1.207 -10.786 413 2HB LYS 51 1HB LYS 51 7.356 2.763 -11.446 414 1HG LYS 51 2HG LYS 51 6.466 2.151 -13.645 415 2HG LYS 51 1HG LYS 51 6.022 0.556 -13.040 416 1HD LYS 51 2HD LYS 51 4.983 2.790 -11.422 417 2HD LYS 51 1HD LYS 51 4.342 2.726 -13.064 418 1HE LYS 51 2HE LYS 51 3.291 0.682 -12.722 419 2HE LYS 51 1HE LYS 51 4.463 0.168 -11.493 420 1HZ LYS 51 1HZ LYS 51 2.013 1.361 -11.036 421 2HZ LYS 51 2HZ LYS 51 3.159 2.571 -10.710 422 3HZ LYS 51 3HZ LYS 51 3.235 1.081 -9.896 423 H GLN 52 H GLN 52 10.489 2.711 -11.907 424 HA GLN 52 HA GLN 52 10.184 4.343 -14.212 425 1HB GLN 52 2HB GLN 52 11.617 5.061 -12.469 426 2HB GLN 52 1HB GLN 52 12.498 3.533 -12.449 427 1HG GLN 52 2HG GLN 52 13.779 4.086 -14.288 428 2HG GLN 52 1HG GLN 52 12.523 5.111 -14.984 429 1HE2 GLN 52 1HE2 GLN 52 15.204 6.059 -14.759 430 2HE2 GLN 52 2HE2 GLN 52 15.246 7.305 -13.607 431 H LYS 53 H LYS 53 11.232 1.057 -13.970 432 HA LYS 53 HA LYS 53 12.709 1.132 -16.546 433 1HB LYS 53 2HB LYS 53 12.328 -0.687 -14.226 434 2HB LYS 53 1HB LYS 53 12.591 -1.477 -15.781 435 1HG LYS 53 2HG LYS 53 14.789 -1.181 -15.178 436 2HG LYS 53 1HG LYS 53 14.518 0.385 -15.944 437 1HD LYS 53 2HD LYS 53 14.539 1.515 -13.954 438 2HD LYS 53 1HD LYS 53 13.759 0.196 -13.080 439 1HE LYS 53 2HE LYS 53 16.219 -0.895 -13.789 440 2HE LYS 53 1HE LYS 53 16.614 0.783 -13.366 441 1HZ LYS 53 1HZ LYS 53 15.024 0.410 -11.421 442 2HZ LYS 53 2HZ LYS 53 16.564 -0.299 -11.320 443 3HZ LYS 53 3HZ LYS 53 15.214 -1.245 -11.733 444 H GLU 54 H GLU 54 11.992 -1.291 -17.676 445 HA GLU 54 HA GLU 54 9.026 -1.282 -17.979 446 1HB GLU 54 2HB GLU 54 11.007 -0.202 -19.830 447 2HB GLU 54 1HB GLU 54 10.033 -1.463 -20.585 448 1HG GLU 54 2HG GLU 54 8.669 0.641 -18.940 449 2HG GLU 54 1HG GLU 54 9.178 1.034 -20.582 450 H GLN 55 H GLN 55 12.053 -2.735 -19.239 451 HA GLN 55 HA GLN 55 11.110 -5.424 -18.508 452 1HB GLN 55 2HB GLN 55 10.432 -4.294 -20.992 453 2HB GLN 55 1HB GLN 55 11.772 -5.386 -21.343 454 1HG GLN 55 2HG GLN 55 10.294 -6.924 -19.637 455 2HG GLN 55 1HG GLN 55 9.022 -6.006 -20.447 456 1HE2 GLN 55 1HE2 GLN 55 11.330 -8.576 -20.839 457 2HE2 GLN 55 2HE2 GLN 55 11.003 -8.903 -22.472 458 H ARG 56 HN ARG 56 13.376 -4.080 -17.603 459 HA ARG 56 HA ARG 56 15.528 -5.825 -18.609 460 1HB ARG 56 2HB ARG 56 15.146 -3.548 -19.965 461 2HB ARG 56 1HB ARG 56 16.110 -2.891 -18.642 462 1HG ARG 56 2HG ARG 56 16.917 -5.260 -20.354 463 2HG ARG 56 1HG ARG 56 17.516 -3.615 -20.566 464 1HD ARG 56 2HD ARG 56 18.153 -3.800 -18.021 465 2HD ARG 56 1HD ARG 56 18.065 -5.547 -18.327 466 HE ARG 56 HE ARG 56 19.620 -3.884 -20.236 467 1HH1 ARG 56 1HH2 ARG 56 19.735 -5.671 -17.331 468 2HH1 ARG 56 2HH2 ARG 56 21.220 -6.478 -17.711 469 1HH2 ARG 56 1HH1 ARG 56 21.413 -5.176 -20.919 470 2HH2 ARG 56 2HH1 ARG 56 22.164 -6.207 -19.748 Start of MODEL 10 1 1H MET 1 1H MET 1 -8.979 9.200 -2.932 2 2H MET 1 2H MET 1 -9.916 7.788 -2.809 3 3H MET 1 3H MET 1 -8.931 8.044 -4.169 4 HA MET 1 HA MET 1 -7.210 8.215 -2.019 5 1HB MET 1 2HB MET 1 -9.366 7.166 -0.925 6 2HB MET 1 1HB MET 1 -8.869 5.700 -1.779 7 1HG MET 1 2HG MET 1 -6.972 5.424 -0.511 8 2HG MET 1 1HG MET 1 -6.765 7.154 -0.246 9 1HE MET 1 1HE MET 1 -6.810 4.546 2.226 10 2HE MET 1 2HE MET 1 -6.903 5.966 3.262 11 3HE MET 1 3HE MET 1 -5.951 6.027 1.784 12 H LYS 2 H LYS 2 -5.824 8.026 -3.954 13 HA LYS 2 HA LYS 2 -6.002 5.947 -5.873 14 1HB LYS 2 2HB LYS 2 -3.932 7.805 -4.838 15 2HB LYS 2 1HB LYS 2 -3.308 6.352 -5.619 16 1HG LYS 2 2HG LYS 2 -5.406 7.264 -7.251 17 2HG LYS 2 1HG LYS 2 -4.444 8.683 -6.838 18 1HD LYS 2 2HD LYS 2 -2.449 6.949 -7.350 19 2HD LYS 2 1HD LYS 2 -3.687 6.274 -8.410 20 1HE LYS 2 2HE LYS 2 -3.655 8.091 -9.820 21 2HE LYS 2 1HE LYS 2 -3.351 9.236 -8.499 22 1HZ LYS 2 1HZ LYS 2 -1.446 7.510 -9.931 23 2HZ LYS 2 2HZ LYS 2 -1.133 7.922 -8.312 24 3HZ LYS 2 3HZ LYS 2 -1.290 9.139 -9.487 25 H VAL 3 H VAL 3 -4.784 3.799 -5.865 26 HA VAL 3 HA VAL 3 -4.229 2.950 -3.076 27 HB VAL 3 HB VAL 3 -6.071 2.102 -5.236 28 1HG1 VAL 3 1HG1 VAL 3 -4.871 0.070 -4.855 29 2HG1 VAL 3 2HG1 VAL 3 -6.432 -0.049 -4.037 30 3HG1 VAL 3 3HG1 VAL 3 -4.969 0.276 -3.111 31 1HG2 VAL 3 1HG2 VAL 3 -6.176 3.397 -2.804 32 2HG2 VAL 3 2HG2 VAL 3 -6.768 1.775 -2.439 33 3HG2 VAL 3 3HG2 VAL 3 -7.545 2.742 -3.690 34 H ILE 4 H ILE 4 -2.438 1.835 -2.750 35 HA ILE 4 HA ILE 4 -0.783 0.859 -5.003 36 HB ILE 4 HB ILE 4 -0.523 1.714 -2.144 37 1HG1 ILE 4 2HG1 ILE 4 0.342 2.662 -4.631 38 2HG1 ILE 4 1HG1 ILE 4 0.860 3.260 -3.063 39 1HG2 ILE 4 1HG2 ILE 4 1.825 0.539 -2.234 40 2HG2 ILE 4 2HG2 ILE 4 0.977 -0.571 -3.310 41 3HG2 ILE 4 3HG2 ILE 4 0.398 -0.314 -1.666 42 1HD1 ILE 4 1HD1 ILE 4 2.231 1.143 -4.746 43 2HD1 ILE 4 2HD1 ILE 4 2.681 1.507 -3.081 44 3HD1 ILE 4 3HD1 ILE 4 2.852 2.740 -4.326 45 H PHE 5 H PHE 5 -2.137 -1.138 -5.466 46 HA PHE 5 HA PHE 5 -2.785 -2.959 -3.300 47 1HB PHE 5 2HB PHE 5 -2.526 -3.111 -6.265 48 2HB PHE 5 1HB PHE 5 -2.494 -4.618 -5.367 49 HD1 PHE 5 HD1 PHE 5 -4.424 -5.258 -3.913 50 HD2 PHE 5 HD2 PHE 5 -4.620 -1.871 -6.561 51 HE1 PHE 5 HE1 PHE 5 -6.888 -5.318 -3.801 52 HE2 PHE 5 HE2 PHE 5 -7.092 -1.937 -6.436 53 HZ PHE 5 HZ PHE 5 -8.222 -3.660 -5.069 54 H LEU 6 H LEU 6 -1.250 -4.008 -2.111 55 HA LEU 6 HA LEU 6 1.554 -3.953 -2.955 56 1HB LEU 6 2HB LEU 6 1.711 -5.433 -0.786 57 2HB LEU 6 1HB LEU 6 1.297 -3.728 -0.632 58 HG LEU 6 HG LEU 6 -1.006 -5.534 -1.051 59 1HD1 LEU 6 1HD1 LEU 6 0.430 -5.496 1.615 60 2HD1 LEU 6 2HD1 LEU 6 0.558 -6.829 0.475 61 3HD1 LEU 6 3HD1 LEU 6 -1.002 -6.428 1.187 62 1HD2 LEU 6 1HD2 LEU 6 -0.548 -3.546 1.168 63 2HD2 LEU 6 2HD2 LEU 6 -2.056 -3.985 0.376 64 3HD2 LEU 6 3HD2 LEU 6 -0.876 -2.989 -0.471 65 H LYS 7 H LYS 7 -1.122 -6.109 -3.123 66 HA LYS 7 HA LYS 7 0.598 -8.085 -4.546 67 1HB LYS 7 2HB LYS 7 -1.088 -8.447 -2.113 68 2HB LYS 7 1HB LYS 7 -1.124 -9.743 -3.311 69 1HG LYS 7 2HG LYS 7 0.895 -10.465 -2.649 70 2HG LYS 7 1HG LYS 7 1.591 -8.872 -2.944 71 1HD LYS 7 2HD LYS 7 0.976 -8.121 -0.735 72 2HD LYS 7 1HD LYS 7 0.053 -9.593 -0.435 73 1HE LYS 7 2HE LYS 7 2.951 -9.871 -1.163 74 2HE LYS 7 1HE LYS 7 2.537 -9.364 0.485 75 1HZ LYS 7 1HZ LYS 7 2.129 -11.512 0.870 76 2HZ LYS 7 2HZ LYS 7 2.154 -11.911 -0.780 77 3HZ LYS 7 3HZ LYS 7 0.729 -11.323 -0.067 78 H ASP 8 H ASP 8 -0.888 -9.655 -5.775 79 HA ASP 8 HA ASP 8 -2.805 -8.042 -7.280 80 1HB ASP 8 2HB ASP 8 -1.385 -9.543 -8.479 81 2HB ASP 8 1HB ASP 8 -1.775 -10.884 -7.401 82 H VAL 9 H VAL 9 -5.015 -9.048 -7.772 83 HA VAL 9 HA VAL 9 -6.169 -10.368 -5.334 84 HB VAL 9 HB VAL 9 -7.712 -8.464 -7.088 85 1HG1 VAL 9 1HG1 VAL 9 -9.244 -9.025 -5.530 86 2HG1 VAL 9 2HG1 VAL 9 -8.291 -8.090 -4.377 87 3HG1 VAL 9 3HG1 VAL 9 -8.029 -9.828 -4.534 88 1HG2 VAL 9 1HG2 VAL 9 -5.399 -7.784 -5.413 89 2HG2 VAL 9 2HG2 VAL 9 -6.862 -6.921 -4.942 90 3HG2 VAL 9 3HG2 VAL 9 -6.256 -6.794 -6.592 91 H LYS 10 H LYS 10 -8.807 -10.287 -6.857 92 HA LYS 10 HA LYS 10 -8.510 -12.850 -8.204 93 1HB LYS 10 2HB LYS 10 -10.622 -10.961 -7.374 94 2HB LYS 10 1HB LYS 10 -11.003 -11.872 -8.836 95 1HG LYS 10 2HG LYS 10 -10.473 -13.979 -7.655 96 2HG LYS 10 1HG LYS 10 -10.123 -13.063 -6.191 97 1HD LYS 10 2HD LYS 10 -12.424 -12.231 -6.121 98 2HD LYS 10 1HD LYS 10 -12.794 -13.072 -7.629 99 1HE LYS 10 2HE LYS 10 -13.528 -14.693 -6.151 100 2HE LYS 10 1HE LYS 10 -11.811 -15.147 -6.186 101 1HZ LYS 10 1HZ LYS 10 -11.424 -13.587 -4.356 102 2HZ LYS 10 2HZ LYS 10 -12.512 -14.814 -3.911 103 3HZ LYS 10 3HZ LYS 10 -13.087 -13.258 -4.280 104 H GLY 11 H GLY 11 -6.930 -12.210 -9.874 105 1HA GLY 11 2HA GLY 11 -6.297 -11.328 -11.970 106 2HA GLY 11 1HA GLY 11 -7.932 -11.808 -12.433 107 H LYS 12 H LYS 12 -6.665 -9.255 -10.270 108 HA LYS 12 HA LYS 12 -7.972 -7.209 -12.003 109 1HB LYS 12 2HB LYS 12 -8.813 -8.227 -9.377 110 2HB LYS 12 1HB LYS 12 -8.680 -6.471 -9.436 111 1HG LYS 12 2HG LYS 12 -10.181 -6.345 -11.316 112 2HG LYS 12 1HG LYS 12 -10.182 -8.101 -11.497 113 1HD LYS 12 2HD LYS 12 -10.956 -7.903 -8.909 114 2HD LYS 12 1HD LYS 12 -11.632 -6.401 -9.545 115 1HE LYS 12 2HE LYS 12 -12.145 -8.518 -11.430 116 2HE LYS 12 1HE LYS 12 -12.710 -9.013 -9.822 117 1HZ LYS 12 1HZ LYS 12 -14.460 -7.726 -10.543 118 2HZ LYS 12 2HZ LYS 12 -13.467 -6.648 -11.403 119 3HZ LYS 12 3HZ LYS 12 -13.537 -6.576 -9.707 120 H GLY 13 H GLY 13 -6.773 -7.058 -8.658 121 1HA GLY 13 2HA GLY 13 -5.303 -4.654 -9.076 122 2HA GLY 13 1HA GLY 13 -5.113 -5.720 -7.686 123 H LYS 14 H LYS 14 -2.826 -4.784 -8.207 124 HA LYS 14 HA LYS 14 -1.290 -6.878 -9.615 125 1HB LYS 14 2HB LYS 14 -1.375 -3.917 -10.224 126 2HB LYS 14 1HB LYS 14 0.041 -4.883 -10.624 127 1HG LYS 14 2HG LYS 14 -1.982 -6.446 -11.603 128 2HG LYS 14 1HG LYS 14 -2.620 -4.823 -11.882 129 1HD LYS 14 2HD LYS 14 -0.272 -4.281 -12.834 130 2HD LYS 14 1HD LYS 14 -0.059 -6.030 -12.918 131 1HE LYS 14 2HE LYS 14 -2.525 -5.790 -14.057 132 2HE LYS 14 1HE LYS 14 -1.777 -4.265 -14.568 133 1HZ LYS 14 1HZ LYS 14 -1.330 -6.644 -15.755 134 2HZ LYS 14 2HZ LYS 14 -0.017 -6.554 -14.680 135 3HZ LYS 14 3HZ LYS 14 -0.270 -5.323 -15.822 136 H LYS 15 H LYS 15 1.089 -6.592 -8.974 137 HA LYS 15 HA LYS 15 1.286 -6.277 -6.143 138 1HB LYS 15 2HB LYS 15 3.155 -6.661 -8.460 139 2HB LYS 15 1HB LYS 15 3.813 -6.391 -6.843 140 1HG LYS 15 2HG LYS 15 3.525 -8.809 -7.287 141 2HG LYS 15 1HG LYS 15 2.481 -8.272 -5.972 142 1HD LYS 15 2HD LYS 15 1.185 -9.703 -7.450 143 2HD LYS 15 1HD LYS 15 0.589 -8.052 -7.634 144 1HE LYS 15 2HE LYS 15 0.988 -8.256 -9.863 145 2HE LYS 15 1HE LYS 15 2.722 -8.339 -9.493 146 1HZ LYS 15 1HZ LYS 15 0.788 -10.585 -9.627 147 2HZ LYS 15 2HZ LYS 15 2.331 -10.737 -8.928 148 3HZ LYS 15 3HZ LYS 15 2.174 -10.356 -10.577 149 H GLY 16 H GLY 16 1.857 -4.566 -4.896 150 1HA GLY 16 2HA GLY 16 1.859 -2.239 -4.413 151 2HA GLY 16 1HA GLY 16 3.396 -2.320 -5.243 152 H GLU 17 H GLU 17 0.295 -2.907 -6.870 153 HA GLU 17 HA GLU 17 0.955 -0.890 -8.854 154 1HB GLU 17 2HB GLU 17 -0.555 -2.088 -10.004 155 2HB GLU 17 1HB GLU 17 -0.731 -3.118 -8.589 156 1HG GLU 17 2HG GLU 17 -2.641 -1.905 -7.826 157 2HG GLU 17 1HG GLU 17 -2.323 -0.566 -8.925 158 H ILE 18 H ILE 18 0.556 1.227 -8.736 159 HA ILE 18 HA ILE 18 -1.275 2.244 -6.569 160 HB ILE 18 HB ILE 18 0.756 3.734 -8.261 161 1HG1 ILE 18 2HG1 ILE 18 1.872 3.336 -5.753 162 2HG1 ILE 18 1HG1 ILE 18 1.213 1.756 -6.177 163 1HG2 ILE 18 1HG2 ILE 18 -1.155 4.657 -6.564 164 2HG2 ILE 18 2HG2 ILE 18 0.365 5.491 -6.874 165 3HG2 ILE 18 3HG2 ILE 18 0.200 4.459 -5.453 166 1HD1 ILE 18 1HD1 ILE 18 3.368 3.342 -7.512 167 2HD1 ILE 18 2HD1 ILE 18 2.345 2.319 -8.523 168 3HD1 ILE 18 3HD1 ILE 18 3.280 1.606 -7.209 169 H LYS 19 H LYS 19 -3.159 2.948 -7.243 170 HA LYS 19 HA LYS 19 -3.502 4.653 -9.588 171 1HB LYS 19 2HB LYS 19 -3.527 2.157 -10.328 172 2HB LYS 19 1HB LYS 19 -5.047 2.046 -9.439 173 1HG LYS 19 2HG LYS 19 -6.192 3.196 -11.020 174 2HG LYS 19 1HG LYS 19 -4.897 4.375 -11.227 175 1HD LYS 19 2HD LYS 19 -4.050 1.792 -12.208 176 2HD LYS 19 1HD LYS 19 -5.573 2.260 -12.970 177 1HE LYS 19 2HE LYS 19 -4.591 4.449 -13.596 178 2HE LYS 19 1HE LYS 19 -3.053 3.960 -12.858 179 1HZ LYS 19 1HZ LYS 19 -3.723 1.824 -14.395 180 2HZ LYS 19 2HZ LYS 19 -2.608 3.030 -14.828 181 3HZ LYS 19 3HZ LYS 19 -4.220 3.131 -15.355 182 H ASN 20 H ASN 20 -6.430 3.394 -9.179 183 HA ASN 20 HA ASN 20 -6.988 4.270 -6.442 184 1HB ASN 20 2HB ASN 20 -8.572 6.003 -7.065 185 2HB ASN 20 1HB ASN 20 -7.006 6.380 -7.814 186 1HD2 ASN 20 1HD2 ASN 20 -9.610 7.276 -8.858 187 2HD2 ASN 20 2HD2 ASN 20 -9.791 6.579 -10.394 188 H VAL 21 H VAL 21 -8.227 2.804 -5.716 189 HA VAL 21 HA VAL 21 -9.899 1.136 -7.491 190 HB VAL 21 HB VAL 21 -8.395 0.555 -5.406 191 1HG1 VAL 21 1HG1 VAL 21 -9.873 2.413 -4.175 192 2HG1 VAL 21 2HG1 VAL 21 -9.039 1.106 -3.339 193 3HG1 VAL 21 3HG1 VAL 21 -10.752 0.950 -3.723 194 1HG2 VAL 21 1HG2 VAL 21 -11.090 -0.499 -5.999 195 2HG2 VAL 21 2HG2 VAL 21 -10.221 -1.082 -4.578 196 3HG2 VAL 21 3HG2 VAL 21 -9.512 -1.271 -6.179 197 H ALA 22 H ALA 22 -11.900 1.025 -5.214 198 HA ALA 22 HA ALA 22 -13.395 3.455 -5.969 199 1HB ALA 22 1HB ALA 22 -14.274 2.249 -3.504 200 2HB ALA 22 2HB ALA 22 -13.912 0.975 -4.662 201 3HB ALA 22 3HB ALA 22 -15.083 2.229 -5.065 202 H ASP 23 H ASP 23 -12.426 5.330 -5.249 203 HA ASP 23 HA ASP 23 -10.403 5.846 -3.614 204 1HB ASP 23 2HB ASP 23 -13.029 7.161 -4.148 205 2HB ASP 23 1HB ASP 23 -12.012 7.876 -2.914 206 H GLY 24 H GLY 24 -13.596 4.811 -2.397 207 1HA GLY 24 2HA GLY 24 -12.621 5.149 0.401 208 2HA GLY 24 1HA GLY 24 -14.287 4.781 -0.061 209 H TYR 25 H TYR 25 -13.677 2.719 -1.925 210 HA TYR 25 HA TYR 25 -13.667 0.307 -0.473 211 1HB TYR 25 2HB TYR 25 -14.163 0.426 -2.835 212 2HB TYR 25 1HB TYR 25 -12.645 1.240 -3.155 213 HD1 TYR 25 HD1 TYR 25 -13.006 -0.657 -5.024 214 HD2 TYR 25 HD2 TYR 25 -11.755 -1.400 -0.986 215 HE1 TYR 25 HE1 TYR 25 -12.029 -2.813 -5.716 216 HE2 TYR 25 HE2 TYR 25 -10.770 -3.498 -1.698 217 HH TYR 25 HH TYR 25 -10.903 -4.600 -5.077 218 H ALA 26 H ALA 26 -11.060 1.918 -2.149 219 HA ALA 26 HA ALA 26 -8.746 0.610 -1.605 220 1HB ALA 26 1HB ALA 26 -9.363 3.527 -0.952 221 2HB ALA 26 2HB ALA 26 -8.957 2.896 -2.545 222 3HB ALA 26 3HB ALA 26 -7.750 2.891 -1.259 223 H ASN 27 H ASN 27 -10.048 2.840 0.922 224 HA ASN 27 HA ASN 27 -8.398 1.458 2.942 225 1HB ASN 27 2HB ASN 27 -8.862 4.010 2.561 226 2HB ASN 27 1HB ASN 27 -10.339 3.689 3.468 227 1HD2 ASN 27 1HD2 ASN 27 -10.117 4.112 5.592 228 2HD2 ASN 27 2HD2 ASN 27 -8.712 3.884 6.496 229 H ASN 28 H ASN 28 -11.155 0.414 1.693 230 HA ASN 28 HA ASN 28 -12.345 -0.257 4.372 231 1HB ASN 28 2HB ASN 28 -13.553 1.210 2.507 232 2HB ASN 28 1HB ASN 28 -13.899 -0.374 1.809 233 1HD2 ASN 28 1HD2 ASN 28 -14.063 -1.771 4.405 234 2HD2 ASN 28 2HD2 ASN 28 -15.500 -1.253 5.144 235 H PHE 29 H PHE 29 -10.456 -1.525 2.036 236 HA PHE 29 HA PHE 29 -11.257 -4.288 2.661 237 1HB PHE 29 2HB PHE 29 -12.833 -3.783 0.881 238 2HB PHE 29 1HB PHE 29 -11.600 -2.960 -0.036 239 HD1 PHE 29 HD1 PHE 29 -10.188 -5.930 1.368 240 HD2 PHE 29 HD2 PHE 29 -12.677 -4.543 -1.840 241 HE1 PHE 29 HE1 PHE 29 -9.596 -7.918 0.058 242 HE2 PHE 29 HE2 PHE 29 -12.092 -6.548 -3.151 243 HZ PHE 29 HZ PHE 29 -10.568 -8.259 -2.198 244 H LEU 30 H LEU 30 -9.477 -2.500 0.182 245 HA LEU 30 HA LEU 30 -7.412 -4.458 -0.095 246 1HB LEU 30 2HB LEU 30 -7.257 -1.509 -0.775 247 2HB LEU 30 1HB LEU 30 -6.445 -2.844 -1.606 248 HG LEU 30 HG LEU 30 -9.386 -2.494 -1.346 249 1HD1 LEU 30 1HD1 LEU 30 -7.489 -1.567 -3.407 250 2HD1 LEU 30 2HD1 LEU 30 -9.073 -0.926 -2.972 251 3HD1 LEU 30 3HD1 LEU 30 -8.952 -2.338 -4.018 252 1HD2 LEU 30 1HD2 LEU 30 -9.435 -4.702 -1.833 253 2HD2 LEU 30 2HD2 LEU 30 -7.719 -4.710 -2.225 254 3HD2 LEU 30 3HD2 LEU 30 -8.897 -4.244 -3.446 255 H PHE 31 H PHE 31 -7.675 -1.484 1.634 256 HA PHE 31 HA PHE 31 -4.955 -1.462 2.597 257 1HB PHE 31 2HB PHE 31 -7.541 -0.103 3.238 258 2HB PHE 31 1HB PHE 31 -5.990 0.394 3.893 259 HD1 PHE 31 HD1 PHE 31 -5.311 -0.987 0.707 260 HD2 PHE 31 HD2 PHE 31 -6.998 2.525 2.524 261 HE1 PHE 31 HE1 PHE 31 -4.781 0.356 -1.310 262 HE2 PHE 31 HE2 PHE 31 -6.480 3.837 0.498 263 HZ PHE 31 HZ PHE 31 -5.354 2.748 -1.399 264 H LYS 32 H LYS 32 -8.085 -2.269 4.211 265 HA LYS 32 HA LYS 32 -6.605 -2.936 6.668 266 1HB LYS 32 2HB LYS 32 -8.810 -3.070 7.626 267 2HB LYS 32 1HB LYS 32 -8.789 -1.687 6.531 268 1HG LYS 32 2HG LYS 32 -10.374 -2.597 5.213 269 2HG LYS 32 1HG LYS 32 -9.525 -4.142 5.147 270 1HD LYS 32 2HD LYS 32 -10.807 -5.043 6.777 271 2HD LYS 32 1HD LYS 32 -10.715 -3.585 7.766 272 1HE LYS 32 2HE LYS 32 -12.540 -2.566 6.655 273 2HE LYS 32 1HE LYS 32 -12.433 -3.681 5.279 274 1HZ LYS 32 1HZ LYS 32 -13.710 -4.056 7.826 275 2HZ LYS 32 2HZ LYS 32 -12.655 -5.328 7.435 276 3HZ LYS 32 3HZ LYS 32 -13.920 -4.917 6.380 277 H GLN 33 H GLN 33 -6.848 -4.653 3.918 278 HA GLN 33 HA GLN 33 -7.184 -7.230 5.465 279 1HB GLN 33 2HB GLN 33 -8.200 -6.427 2.763 280 2HB GLN 33 1HB GLN 33 -7.941 -8.119 3.136 281 1HG GLN 33 2HG GLN 33 -9.281 -7.196 5.373 282 2HG GLN 33 1HG GLN 33 -10.060 -6.319 4.053 283 1HE2 GLN 33 1HE2 GLN 33 -12.011 -7.683 4.371 284 2HE2 GLN 33 2HE2 GLN 33 -12.040 -9.277 3.789 285 H GLY 34 H GLY 34 -5.113 -5.371 3.471 286 1HA GLY 34 2HA GLY 34 -2.779 -6.027 3.249 287 2HA GLY 34 1HA GLY 34 -3.284 -7.711 3.319 288 H LEU 35 H LEU 35 -4.954 -5.421 1.215 289 HA LEU 35 HA LEU 35 -3.879 -6.943 -1.133 290 1HB LEU 35 2HB LEU 35 -6.152 -4.948 -0.990 291 2HB LEU 35 1HB LEU 35 -5.779 -6.006 -2.332 292 HG LEU 35 HG LEU 35 -6.105 -7.900 -0.522 293 1HD1 LEU 35 1HD1 LEU 35 -8.293 -6.262 0.532 294 2HD1 LEU 35 2HD1 LEU 35 -6.707 -5.701 1.043 295 3HD1 LEU 35 3HD1 LEU 35 -7.207 -7.354 1.385 296 1HD2 LEU 35 1HD2 LEU 35 -7.421 -7.397 -2.642 297 2HD2 LEU 35 2HD2 LEU 35 -8.493 -6.416 -1.645 298 3HD2 LEU 35 3HD2 LEU 35 -8.358 -8.150 -1.350 299 H ALA 36 H ALA 36 -4.611 -3.679 0.005 300 HA ALA 36 HA ALA 36 -2.320 -2.580 -1.559 301 1HB ALA 36 1HB ALA 36 -3.785 -0.946 -2.536 302 2HB ALA 36 2HB ALA 36 -5.116 -1.423 -1.478 303 3HB ALA 36 3HB ALA 36 -4.577 -2.506 -2.760 304 H ILE 37 H ILE 37 -2.419 -0.046 -1.067 305 HA ILE 37 HA ILE 37 -3.254 0.473 1.741 306 HB ILE 37 HB ILE 37 -1.098 1.205 2.425 307 1HG1 ILE 37 2HG1 ILE 37 0.309 0.650 -0.109 308 2HG1 ILE 37 1HG1 ILE 37 -0.737 2.060 -0.152 309 1HG2 ILE 37 1HG2 ILE 37 -0.420 -1.167 0.708 310 2HG2 ILE 37 2HG2 ILE 37 -1.531 -1.317 2.070 311 3HG2 ILE 37 3HG2 ILE 37 0.132 -0.790 2.339 312 1HD1 ILE 37 1HD1 ILE 37 1.504 2.714 0.585 313 2HD1 ILE 37 2HD1 ILE 37 1.443 1.521 1.883 314 3HD1 ILE 37 3HD1 ILE 37 0.353 2.908 1.907 315 H GLU 38 H GLU 38 -2.998 2.884 2.179 316 HA GLU 38 HA GLU 38 -4.426 4.402 0.228 317 1HB GLU 38 2HB GLU 38 -4.481 5.102 2.497 318 2HB GLU 38 1HB GLU 38 -2.724 5.058 2.638 319 1HG GLU 38 2HG GLU 38 -2.447 7.054 1.432 320 2HG GLU 38 1HG GLU 38 -4.035 6.927 0.674 321 H ALA 39 H ALA 39 -3.518 4.692 -1.854 322 HA ALA 39 HA ALA 39 -0.667 4.894 -2.310 323 1HB ALA 39 1HB ALA 39 -2.727 6.270 -3.989 324 2HB ALA 39 2HB ALA 39 -2.711 4.512 -3.909 325 3HB ALA 39 3HB ALA 39 -1.307 5.384 -4.525 326 H THR 40 H THR 40 0.313 6.481 -0.957 327 HA THR 40 HA THR 40 -0.601 9.309 -1.403 328 HB THR 40 HB THR 40 -0.651 9.135 0.894 329 HG1 THR 40 HG1 THR 40 2.146 9.335 0.519 330 1HG2 THR 40 1HG2 THR 40 -0.264 6.846 1.260 331 2HG2 THR 40 2HG2 THR 40 1.086 7.603 2.103 332 3HG2 THR 40 3HG2 THR 40 1.327 6.903 0.506 333 HA PRO 41 HA PRO 41 2.968 10.037 -3.787 334 1HB PRO 41 2HB PRO 41 3.865 12.421 -2.780 335 2HB PRO 41 1HB PRO 41 2.482 12.301 -3.884 336 1HG PRO 41 2HG PRO 41 2.526 12.671 -0.941 337 2HG PRO 41 1HG PRO 41 1.418 13.340 -2.148 338 1HD PRO 41 2HD PRO 41 0.827 11.214 -0.517 339 2HD PRO 41 1HD PRO 41 0.048 11.520 -2.080 340 H ALA 42 H ALA 42 3.393 11.043 -0.372 341 HA ALA 42 HA ALA 42 6.052 10.670 0.117 342 1HB ALA 42 1HB ALA 42 3.596 9.824 1.650 343 2HB ALA 42 2HB ALA 42 4.615 11.240 1.904 344 3HB ALA 42 3HB ALA 42 5.207 9.638 2.344 345 H ASN 43 H ASN 43 3.711 7.921 0.152 346 HA ASN 43 HA ASN 43 5.873 5.950 0.333 347 1HB ASN 43 2HB ASN 43 2.948 6.109 0.439 348 2HB ASN 43 1HB ASN 43 3.522 4.642 -0.350 349 1HD2 ASN 43 1HD2 ASN 43 2.261 4.806 2.327 350 2HD2 ASN 43 2HD2 ASN 43 3.419 4.231 3.441 351 H LEU 44 H LEU 44 3.487 6.823 -2.205 352 HA LEU 44 HA LEU 44 4.168 5.017 -4.199 353 1HB LEU 44 2HB LEU 44 3.233 7.858 -4.102 354 2HB LEU 44 1HB LEU 44 3.700 7.205 -5.674 355 HG LEU 44 HG LEU 44 2.094 5.435 -5.526 356 1HD1 LEU 44 1HD1 LEU 44 1.682 6.308 -2.655 357 2HD1 LEU 44 2HD1 LEU 44 2.478 4.828 -3.185 358 3HD1 LEU 44 3HD1 LEU 44 0.755 5.059 -3.480 359 1HD2 LEU 44 1HD2 LEU 44 0.836 7.269 -6.206 360 2HD2 LEU 44 2HD2 LEU 44 1.097 8.138 -4.693 361 3HD2 LEU 44 3HD2 LEU 44 -0.040 6.791 -4.751 362 H LYS 45 H LYS 45 6.142 7.603 -2.931 363 HA LYS 45 HA LYS 45 8.019 7.695 -5.175 364 1HB LYS 45 2HB LYS 45 7.636 8.870 -2.480 365 2HB LYS 45 1HB LYS 45 9.317 8.718 -2.994 366 1HG LYS 45 2HG LYS 45 8.995 10.087 -4.885 367 2HG LYS 45 1HG LYS 45 7.240 9.898 -4.835 368 1HD LYS 45 2HD LYS 45 7.364 11.069 -2.538 369 2HD LYS 45 1HD LYS 45 8.998 11.538 -3.008 370 1HE LYS 45 2HE LYS 45 6.850 12.020 -5.025 371 2HE LYS 45 1HE LYS 45 6.873 13.079 -3.600 372 1HZ LYS 45 1HZ LYS 45 8.344 13.954 -5.293 373 2HZ LYS 45 2HZ LYS 45 9.182 12.478 -5.376 374 3HZ LYS 45 3HZ LYS 45 9.255 13.422 -3.965 375 H ALA 46 H ALA 46 7.769 6.006 -2.069 376 HA ALA 46 HA ALA 46 10.428 4.889 -2.027 377 1HB ALA 46 1HB ALA 46 9.170 4.998 -0.012 378 2HB ALA 46 2HB ALA 46 9.197 3.283 -0.424 379 3HB ALA 46 3HB ALA 46 7.760 4.248 -0.763 380 H LEU 47 H LEU 47 7.311 3.764 -3.303 381 HA LEU 47 HA LEU 47 7.662 1.111 -3.911 382 1HB LEU 47 2HB LEU 47 6.248 3.375 -4.973 383 2HB LEU 47 1HB LEU 47 6.811 2.383 -6.317 384 HG LEU 47 HG LEU 47 4.559 1.699 -5.482 385 1HD1 LEU 47 1HD1 LEU 47 6.400 -0.544 -4.756 386 2HD1 LEU 47 2HD1 LEU 47 6.492 0.115 -6.391 387 3HD1 LEU 47 3HD1 LEU 47 4.974 -0.556 -5.792 388 1HD2 LEU 47 1HD2 LEU 47 4.341 0.664 -3.298 389 2HD2 LEU 47 2HD2 LEU 47 5.039 2.269 -3.079 390 3HD2 LEU 47 3HD2 LEU 47 6.069 0.840 -2.996 391 H GLU 48 H GLU 48 9.469 3.785 -5.306 392 HA GLU 48 HA GLU 48 10.615 2.377 -7.541 393 1HB GLU 48 2HB GLU 48 10.415 4.914 -6.866 394 2HB GLU 48 1HB GLU 48 11.947 4.621 -6.045 395 1HG GLU 48 2HG GLU 48 11.523 3.838 -8.929 396 2HG GLU 48 1HG GLU 48 12.073 5.452 -8.477 397 H ALA 49 H ALA 49 11.731 2.925 -4.184 398 HA ALA 49 HA ALA 49 14.264 1.539 -4.606 399 1HB ALA 49 1HB ALA 49 14.678 2.240 -2.440 400 2HB ALA 49 2HB ALA 49 13.029 1.905 -1.908 401 3HB ALA 49 3HB ALA 49 13.375 3.355 -2.851 402 H GLN 50 H GLN 50 11.181 0.690 -2.968 403 HA GLN 50 HA GLN 50 11.807 -1.842 -1.984 404 1HB GLN 50 2HB GLN 50 9.436 -0.425 -3.022 405 2HB GLN 50 1HB GLN 50 9.299 -2.184 -3.072 406 1HG GLN 50 2HG GLN 50 10.481 -1.480 -0.572 407 2HG GLN 50 1HG GLN 50 9.063 -0.457 -0.801 408 1HE2 GLN 50 1HE2 GLN 50 7.072 -1.411 -0.323 409 2HE2 GLN 50 2HE2 GLN 50 6.813 -3.081 -0.165 410 H LYS 51 H LYS 51 10.980 -0.948 -5.334 411 HA LYS 51 HA LYS 51 10.825 -3.393 -6.626 412 1HB LYS 51 2HB LYS 51 10.988 -0.811 -7.359 413 2HB LYS 51 1HB LYS 51 12.627 -1.309 -7.787 414 1HG LYS 51 2HG LYS 51 11.818 -3.011 -9.267 415 2HG LYS 51 1HG LYS 51 10.167 -2.839 -8.667 416 1HD LYS 51 2HD LYS 51 9.747 -1.061 -10.010 417 2HD LYS 51 1HD LYS 51 11.314 -0.327 -9.673 418 1HE LYS 51 2HE LYS 51 12.409 -1.776 -11.293 419 2HE LYS 51 1HE LYS 51 10.902 -2.678 -11.553 420 1HZ LYS 51 1HZ LYS 51 11.575 -0.582 -13.029 421 2HZ LYS 51 2HZ LYS 51 10.748 0.221 -11.781 422 3HZ LYS 51 3HZ LYS 51 9.963 -0.983 -12.689 423 H GLN 52 H GLN 52 13.852 -1.657 -5.802 424 HA GLN 52 HA GLN 52 15.623 -3.720 -6.738 425 1HB GLN 52 2HB GLN 52 16.318 -1.410 -6.410 426 2HB GLN 52 1HB GLN 52 15.893 -1.485 -4.700 427 1HG GLN 52 2HG GLN 52 17.579 -3.574 -4.791 428 2HG GLN 52 1HG GLN 52 18.252 -2.628 -6.118 429 1HE2 GLN 52 1HE2 GLN 52 20.165 -1.966 -4.947 430 2HE2 GLN 52 2HE2 GLN 52 20.091 -0.902 -3.627 431 H LYS 53 H LYS 53 15.464 -5.776 -5.862 432 HA LYS 53 HA LYS 53 15.273 -5.991 -2.874 433 1HB LYS 53 2HB LYS 53 13.440 -6.813 -4.650 434 2HB LYS 53 1HB LYS 53 14.498 -8.224 -4.705 435 1HG LYS 53 2HG LYS 53 14.342 -7.797 -2.009 436 2HG LYS 53 1HG LYS 53 12.738 -7.275 -2.528 437 1HD LYS 53 2HD LYS 53 13.361 -9.672 -3.944 438 2HD LYS 53 1HD LYS 53 13.723 -9.949 -2.240 439 1HE LYS 53 2HE LYS 53 11.463 -10.420 -2.162 440 2HE LYS 53 1HE LYS 53 11.339 -8.657 -2.006 441 1HZ LYS 53 1HZ LYS 53 11.547 -9.933 -4.659 442 2HZ LYS 53 2HZ LYS 53 10.941 -8.396 -4.262 443 3HZ LYS 53 3HZ LYS 53 10.042 -9.789 -3.891 444 H GLU 54 H GLU 54 16.212 -8.253 -2.175 445 HA GLU 54 HA GLU 54 18.437 -9.239 -3.841 446 1HB GLU 54 2HB GLU 54 18.687 -7.260 -1.669 447 2HB GLU 54 1HB GLU 54 19.788 -8.629 -1.521 448 1HG GLU 54 2HG GLU 54 19.993 -8.063 -4.192 449 2HG GLU 54 1HG GLU 54 19.753 -6.452 -3.511 450 H GLN 55 H GLN 55 18.208 -9.192 -0.306 451 HA GLN 55 HA GLN 55 17.405 -12.081 -0.332 452 1HB GLN 55 2HB GLN 55 19.627 -10.748 1.253 453 2HB GLN 55 1HB GLN 55 19.147 -12.438 1.405 454 1HG GLN 55 2HG GLN 55 19.789 -11.451 -1.334 455 2HG GLN 55 1HG GLN 55 21.138 -11.672 -0.221 456 1HE2 GLN 55 1HE2 GLN 55 20.623 -13.925 1.174 457 2HE2 GLN 55 2HE2 GLN 55 20.341 -15.255 0.159 458 H ARG 56 HN ARG 56 16.512 -9.103 0.521 459 HA ARG 56 HA ARG 56 15.801 -9.528 3.340 460 1HB ARG 56 2HB ARG 56 16.516 -7.355 2.515 461 2HB ARG 56 1HB ARG 56 15.272 -7.382 1.265 462 1HG ARG 56 2HG ARG 56 13.518 -7.157 2.860 463 2HG ARG 56 1HG ARG 56 14.590 -7.537 4.207 464 1HD ARG 56 2HD ARG 56 14.955 -5.314 4.461 465 2HD ARG 56 1HD ARG 56 15.742 -5.306 2.870 466 HE ARG 56 HE ARG 56 12.855 -4.733 3.356 467 1HH1 ARG 56 1HH1 ARG 56 15.504 -3.465 1.902 468 2HH1 ARG 56 2HH1 ARG 56 14.822 -3.289 0.321 469 1HH2 ARG 56 1HH2 ARG 56 11.995 -5.166 1.044 470 2HH2 ARG 56 2HH2 ARG 56 12.830 -4.249 -0.164 Start of MODEL 11 1 1H MET 1 1H MET 1 -9.129 7.862 -4.008 2 2H MET 1 2H MET 1 -9.262 8.872 -2.651 3 3H MET 1 3H MET 1 -10.103 7.399 -2.699 4 HA MET 1 HA MET 1 -7.409 7.928 -1.883 5 1HB MET 1 2HB MET 1 -9.533 6.732 -0.842 6 2HB MET 1 1HB MET 1 -8.916 5.320 -1.711 7 1HG MET 1 2HG MET 1 -7.210 5.050 -0.259 8 2HG MET 1 1HG MET 1 -6.799 6.759 -0.300 9 1HE MET 1 1HE MET 1 -6.116 5.810 2.151 10 2HE MET 1 2HE MET 1 -7.120 4.363 2.213 11 3HE MET 1 3HE MET 1 -7.271 5.587 3.472 12 H LYS 2 H LYS 2 -6.058 7.909 -3.845 13 HA LYS 2 HA LYS 2 -6.107 5.910 -5.874 14 1HB LYS 2 2HB LYS 2 -4.420 8.047 -4.945 15 2HB LYS 2 1HB LYS 2 -3.423 6.634 -5.255 16 1HG LYS 2 2HG LYS 2 -5.222 6.734 -7.393 17 2HG LYS 2 1HG LYS 2 -4.679 8.394 -7.151 18 1HD LYS 2 2HD LYS 2 -2.385 6.785 -6.854 19 2HD LYS 2 1HD LYS 2 -3.229 6.165 -8.276 20 1HE LYS 2 2HE LYS 2 -2.020 7.880 -9.274 21 2HE LYS 2 1HE LYS 2 -3.453 8.804 -8.780 22 1HZ LYS 2 1HZ LYS 2 -1.775 8.559 -6.556 23 2HZ LYS 2 2HZ LYS 2 -2.183 9.973 -7.404 24 3HZ LYS 2 3HZ LYS 2 -0.813 9.077 -7.854 25 H VAL 3 H VAL 3 -4.929 3.806 -5.913 26 HA VAL 3 HA VAL 3 -4.092 2.976 -3.187 27 HB VAL 3 HB VAL 3 -6.174 2.108 -5.105 28 1HG1 VAL 3 1HG1 VAL 3 -4.916 0.077 -4.803 29 2HG1 VAL 3 2HG1 VAL 3 -6.423 -0.029 -3.887 30 3HG1 VAL 3 3HG1 VAL 3 -4.901 0.296 -3.055 31 1HG2 VAL 3 1HG2 VAL 3 -7.420 2.897 -3.449 32 2HG2 VAL 3 2HG2 VAL 3 -5.945 3.389 -2.633 33 3HG2 VAL 3 3HG2 VAL 3 -6.654 1.813 -2.293 34 H ILE 4 H ILE 4 -2.355 1.759 -3.003 35 HA ILE 4 HA ILE 4 -0.961 0.695 -5.401 36 HB ILE 4 HB ILE 4 -0.410 1.710 -2.640 37 1HG1 ILE 4 2HG1 ILE 4 0.195 2.412 -5.333 38 2HG1 ILE 4 1HG1 ILE 4 0.624 3.289 -3.874 39 1HG2 ILE 4 1HG2 ILE 4 1.924 0.609 -2.853 40 2HG2 ILE 4 2HG2 ILE 4 1.083 -0.556 -3.875 41 3HG2 ILE 4 3HG2 ILE 4 0.578 -0.315 -2.206 42 1HD1 ILE 4 1HD1 ILE 4 2.635 1.712 -3.685 43 2HD1 ILE 4 2HD1 ILE 4 2.689 2.884 -4.999 44 3HD1 ILE 4 3HD1 ILE 4 2.264 1.203 -5.330 45 H PHE 5 H PHE 5 -2.273 -1.364 -5.626 46 HA PHE 5 HA PHE 5 -2.774 -3.041 -3.323 47 1HB PHE 5 2HB PHE 5 -2.554 -3.446 -6.281 48 2HB PHE 5 1HB PHE 5 -2.500 -4.858 -5.252 49 HD1 PHE 5 HD1 PHE 5 -4.668 -2.525 -6.917 50 HD2 PHE 5 HD2 PHE 5 -4.431 -5.167 -3.544 51 HE1 PHE 5 HE1 PHE 5 -7.133 -2.609 -6.816 52 HE2 PHE 5 HE2 PHE 5 -6.893 -5.265 -3.455 53 HZ PHE 5 HZ PHE 5 -8.250 -3.985 -5.091 54 H LEU 6 H LEU 6 -1.147 -3.886 -2.109 55 HA LEU 6 HA LEU 6 1.609 -3.896 -3.090 56 1HB LEU 6 2HB LEU 6 2.013 -4.852 -0.793 57 2HB LEU 6 1HB LEU 6 1.095 -3.345 -0.763 58 HG LEU 6 HG LEU 6 -0.763 -5.488 -1.060 59 1HD1 LEU 6 1HD1 LEU 6 0.288 -6.056 1.553 60 2HD1 LEU 6 2HD1 LEU 6 1.558 -6.313 0.356 61 3HD1 LEU 6 3HD1 LEU 6 0.022 -7.169 0.210 62 1HD2 LEU 6 1HD2 LEU 6 -0.699 -3.100 0.164 63 2HD2 LEU 6 2HD2 LEU 6 -0.351 -4.119 1.561 64 3HD2 LEU 6 3HD2 LEU 6 -1.837 -4.362 0.644 65 H LYS 7 H LYS 7 -1.058 -6.075 -2.796 66 HA LYS 7 HA LYS 7 0.659 -8.362 -3.698 67 1HB LYS 7 2HB LYS 7 -1.689 -8.040 -1.880 68 2HB LYS 7 1HB LYS 7 -1.598 -9.529 -2.821 69 1HG LYS 7 2HG LYS 7 0.468 -10.144 -1.873 70 2HG LYS 7 1HG LYS 7 0.774 -8.513 -1.275 71 1HD LYS 7 2HD LYS 7 -0.017 -9.308 0.701 72 2HD LYS 7 1HD LYS 7 -1.606 -9.120 -0.041 73 1HE LYS 7 2HE LYS 7 -0.283 -11.630 -0.808 74 2HE LYS 7 1HE LYS 7 -0.604 -11.507 0.932 75 1HZ LYS 7 1HZ LYS 7 -2.870 -10.773 0.394 76 2HZ LYS 7 2HZ LYS 7 -2.560 -12.338 -0.187 77 3HZ LYS 7 3HZ LYS 7 -2.559 -11.017 -1.255 78 H ASP 8 H ASP 8 -1.397 -9.967 -4.604 79 HA ASP 8 HA ASP 8 -2.341 -8.422 -6.987 80 1HB ASP 8 2HB ASP 8 -0.792 -10.488 -7.072 81 2HB ASP 8 1HB ASP 8 -2.231 -11.417 -6.647 82 H VAL 9 H VAL 9 -4.495 -8.975 -7.781 83 HA VAL 9 HA VAL 9 -6.351 -9.861 -5.596 84 HB VAL 9 HB VAL 9 -7.220 -8.036 -7.810 85 1HG1 VAL 9 1HG1 VAL 9 -8.918 -7.543 -6.372 86 2HG1 VAL 9 2HG1 VAL 9 -7.861 -7.541 -4.962 87 3HG1 VAL 9 3HG1 VAL 9 -8.448 -9.069 -5.622 88 1HG2 VAL 9 1HG2 VAL 9 -6.423 -6.045 -6.614 89 2HG2 VAL 9 2HG2 VAL 9 -5.046 -7.066 -7.031 90 3HG2 VAL 9 3HG2 VAL 9 -5.670 -7.058 -5.381 91 H LYS 10 H LYS 10 -8.647 -9.902 -7.312 92 HA LYS 10 HA LYS 10 -8.234 -12.466 -8.649 93 1HB LYS 10 2HB LYS 10 -10.428 -10.586 -7.966 94 2HB LYS 10 1HB LYS 10 -10.712 -11.588 -9.388 95 1HG LYS 10 2HG LYS 10 -9.600 -13.319 -7.465 96 2HG LYS 10 1HG LYS 10 -10.779 -12.338 -6.591 97 1HD LYS 10 2HD LYS 10 -12.564 -13.091 -7.871 98 2HD LYS 10 1HD LYS 10 -11.544 -13.476 -9.256 99 1HE LYS 10 2HE LYS 10 -11.626 -15.637 -8.550 100 2HE LYS 10 1HE LYS 10 -10.577 -15.134 -7.209 101 1HZ LYS 10 1HZ LYS 10 -13.034 -16.106 -6.851 102 2HZ LYS 10 2HZ LYS 10 -13.389 -14.450 -6.946 103 3HZ LYS 10 3HZ LYS 10 -12.296 -15.020 -5.777 104 H GLY 11 H GLY 11 -6.451 -10.837 -9.894 105 1HA GLY 11 2HA GLY 11 -5.819 -10.336 -12.120 106 2HA GLY 11 1HA GLY 11 -7.462 -10.720 -12.634 107 H LYS 12 H LYS 12 -7.694 -8.637 -10.048 108 HA LYS 12 HA LYS 12 -8.288 -6.361 -11.862 109 1HB LYS 12 2HB LYS 12 -9.345 -7.511 -9.483 110 2HB LYS 12 1HB LYS 12 -8.813 -5.879 -9.081 111 1HG LYS 12 2HG LYS 12 -10.021 -5.270 -11.361 112 2HG LYS 12 1HG LYS 12 -10.906 -6.762 -11.033 113 1HD LYS 12 2HD LYS 12 -12.194 -5.664 -9.551 114 2HD LYS 12 1HD LYS 12 -10.757 -5.294 -8.593 115 1HE LYS 12 2HE LYS 12 -10.542 -3.170 -9.483 116 2HE LYS 12 1HE LYS 12 -11.251 -3.639 -11.042 117 1HZ LYS 12 1HZ LYS 12 -12.968 -3.929 -8.717 118 2HZ LYS 12 2HZ LYS 12 -13.341 -3.383 -10.281 119 3HZ LYS 12 3HZ LYS 12 -12.611 -2.333 -9.164 120 H GLY 13 H GLY 13 -6.201 -7.159 -9.071 121 1HA GLY 13 2HA GLY 13 -4.758 -4.589 -9.584 122 2HA GLY 13 1HA GLY 13 -4.945 -5.261 -7.964 123 H LYS 14 H LYS 14 -2.418 -4.722 -8.983 124 HA LYS 14 HA LYS 14 -1.306 -7.481 -9.269 125 1HB LYS 14 2HB LYS 14 -0.521 -4.957 -10.767 126 2HB LYS 14 1HB LYS 14 0.287 -6.516 -10.915 127 1HG LYS 14 2HG LYS 14 -1.492 -7.493 -12.048 128 2HG LYS 14 1HG LYS 14 -2.674 -6.389 -11.351 129 1HD LYS 14 2HD LYS 14 -2.294 -4.767 -12.925 130 2HD LYS 14 1HD LYS 14 -0.582 -5.164 -13.068 131 1HE LYS 14 2HE LYS 14 -1.055 -6.308 -14.962 132 2HE LYS 14 1HE LYS 14 -2.034 -7.433 -14.001 133 1HZ LYS 14 1HZ LYS 14 -2.975 -4.800 -15.014 134 2HZ LYS 14 2HZ LYS 14 -3.901 -5.941 -14.161 135 3HZ LYS 14 3HZ LYS 14 -3.346 -6.294 -15.727 136 H LYS 15 H LYS 15 1.175 -7.335 -8.808 137 HA LYS 15 HA LYS 15 1.725 -6.643 -6.203 138 1HB LYS 15 2HB LYS 15 4.036 -6.787 -6.841 139 2HB LYS 15 1HB LYS 15 3.147 -7.860 -7.924 140 1HG LYS 15 2HG LYS 15 3.922 -5.002 -8.582 141 2HG LYS 15 1HG LYS 15 4.793 -6.429 -9.135 142 1HD LYS 15 2HD LYS 15 2.530 -7.220 -10.092 143 2HD LYS 15 1HD LYS 15 1.989 -5.555 -9.854 144 1HE LYS 15 2HE LYS 15 3.719 -4.712 -11.329 145 2HE LYS 15 1HE LYS 15 4.477 -6.314 -11.431 146 1HZ LYS 15 1HZ LYS 15 1.626 -6.002 -12.088 147 2HZ LYS 15 2HZ LYS 15 2.732 -7.170 -12.636 148 3HZ LYS 15 3HZ LYS 15 2.792 -5.586 -13.247 149 H GLY 16 H GLY 16 2.053 -4.801 -5.065 150 1HA GLY 16 2HA GLY 16 1.691 -2.456 -4.706 151 2HA GLY 16 1HA GLY 16 3.274 -2.448 -5.456 152 H GLU 17 H GLU 17 0.141 -3.138 -7.079 153 HA GLU 17 HA GLU 17 0.856 -1.188 -9.144 154 1HB GLU 17 2HB GLU 17 -0.761 -2.266 -10.349 155 2HB GLU 17 1HB GLU 17 -0.611 -3.480 -9.084 156 1HG GLU 17 2HG GLU 17 -2.576 -2.750 -7.991 157 2HG GLU 17 1HG GLU 17 -2.564 -1.192 -8.811 158 H ILE 18 H ILE 18 0.389 0.955 -9.055 159 HA ILE 18 HA ILE 18 -1.460 1.916 -6.894 160 HB ILE 18 HB ILE 18 0.225 3.652 -8.677 161 1HG1 ILE 18 2HG1 ILE 18 1.898 3.199 -6.604 162 2HG1 ILE 18 1HG1 ILE 18 1.175 1.603 -6.765 163 1HG2 ILE 18 1HG2 ILE 18 -1.386 3.960 -6.370 164 2HG2 ILE 18 2HG2 ILE 18 -0.393 5.186 -7.156 165 3HG2 ILE 18 3HG2 ILE 18 0.281 4.208 -5.852 166 1HD1 ILE 18 1HD1 ILE 18 1.814 2.685 -9.370 167 2HD1 ILE 18 2HD1 ILE 18 2.364 1.181 -8.626 168 3HD1 ILE 18 3HD1 ILE 18 3.244 2.682 -8.338 169 H LYS 19 H LYS 19 -3.375 2.279 -7.453 170 HA LYS 19 HA LYS 19 -4.102 4.038 -9.628 171 1HB LYS 19 2HB LYS 19 -4.104 1.141 -9.901 172 2HB LYS 19 1HB LYS 19 -5.734 1.791 -10.088 173 1HG LYS 19 2HG LYS 19 -4.427 3.595 -11.577 174 2HG LYS 19 1HG LYS 19 -3.307 2.248 -11.767 175 1HD LYS 19 2HD LYS 19 -6.128 1.486 -12.086 176 2HD LYS 19 1HD LYS 19 -5.565 2.644 -13.292 177 1HE LYS 19 2HE LYS 19 -3.916 0.199 -12.624 178 2HE LYS 19 1HE LYS 19 -5.219 0.128 -13.827 179 1HZ LYS 19 1HZ LYS 19 -2.748 0.954 -14.402 180 2HZ LYS 19 2HZ LYS 19 -3.468 2.437 -13.996 181 3HZ LYS 19 3HZ LYS 19 -4.126 1.482 -15.237 182 H ASN 20 H ASN 20 -6.402 4.710 -9.190 183 HA ASN 20 HA ASN 20 -7.029 4.213 -6.348 184 1HB ASN 20 2HB ASN 20 -8.526 6.060 -6.561 185 2HB ASN 20 1HB ASN 20 -7.133 6.480 -7.574 186 1HD2 ASN 20 1HD2 ASN 20 -7.596 6.996 -9.743 187 2HD2 ASN 20 2HD2 ASN 20 -9.069 6.664 -10.516 188 H VAL 21 H VAL 21 -8.326 2.815 -5.693 189 HA VAL 21 HA VAL 21 -9.988 1.171 -7.491 190 HB VAL 21 HB VAL 21 -8.413 0.629 -5.418 191 1HG1 VAL 21 1HG1 VAL 21 -9.078 1.035 -3.338 192 2HG1 VAL 21 2HG1 VAL 21 -10.768 0.706 -3.713 193 3HG1 VAL 21 3HG1 VAL 21 -10.069 2.277 -4.099 194 1HG2 VAL 21 1HG2 VAL 21 -11.042 -0.633 -5.965 195 2HG2 VAL 21 2HG2 VAL 21 -9.974 -1.242 -4.700 196 3HG2 VAL 21 3HG2 VAL 21 -9.428 -1.214 -6.375 197 H ALA 22 H ALA 22 -11.919 0.969 -5.136 198 HA ALA 22 HA ALA 22 -13.521 3.341 -5.847 199 1HB ALA 22 1HB ALA 22 -13.911 0.814 -4.603 200 2HB ALA 22 2HB ALA 22 -15.143 2.015 -4.981 201 3HB ALA 22 3HB ALA 22 -14.342 2.041 -3.417 202 H ASP 23 H ASP 23 -12.718 5.258 -5.060 203 HA ASP 23 HA ASP 23 -10.711 5.848 -3.420 204 1HB ASP 23 2HB ASP 23 -13.406 7.006 -3.942 205 2HB ASP 23 1HB ASP 23 -12.495 7.724 -2.630 206 H GLY 24 H GLY 24 -13.833 4.603 -2.234 207 1HA GLY 24 2HA GLY 24 -12.833 4.925 0.554 208 2HA GLY 24 1HA GLY 24 -14.489 4.493 0.113 209 H TYR 25 H TYR 25 -13.769 2.513 -1.823 210 HA TYR 25 HA TYR 25 -13.654 0.067 -0.431 211 1HB TYR 25 2HB TYR 25 -14.144 0.217 -2.792 212 2HB TYR 25 1HB TYR 25 -12.662 1.102 -3.090 213 HD1 TYR 25 HD1 TYR 25 -12.884 -0.767 -5.005 214 HD2 TYR 25 HD2 TYR 25 -11.722 -1.531 -0.956 215 HE1 TYR 25 HE1 TYR 25 -11.822 -2.881 -5.708 216 HE2 TYR 25 HE2 TYR 25 -10.664 -3.584 -1.668 217 HH TYR 25 HH TYR 25 -10.412 -5.079 -3.326 218 H ALA 26 H ALA 26 -11.101 1.748 -2.118 219 HA ALA 26 HA ALA 26 -8.754 0.519 -1.575 220 1HB ALA 26 1HB ALA 26 -7.840 2.873 -1.228 221 2HB ALA 26 2HB ALA 26 -9.498 3.428 -1.016 222 3HB ALA 26 3HB ALA 26 -8.987 2.763 -2.562 223 H ASN 27 H ASN 27 -10.109 2.734 0.931 224 HA ASN 27 HA ASN 27 -8.342 1.517 2.941 225 1HB ASN 27 2HB ASN 27 -8.908 3.978 2.691 226 2HB ASN 27 1HB ASN 27 -10.521 3.579 3.282 227 1HD2 ASN 27 1HD2 ASN 27 -10.748 2.760 5.442 228 2HD2 ASN 27 2HD2 ASN 27 -9.548 3.048 6.591 229 H ASN 28 H ASN 28 -11.640 1.084 1.896 230 HA ASN 28 HA ASN 28 -12.517 -0.030 4.488 231 1HB ASN 28 2HB ASN 28 -14.008 1.314 3.067 232 2HB ASN 28 1HB ASN 28 -13.818 0.155 1.753 233 1HD2 ASN 28 1HD2 ASN 28 -16.300 0.005 2.041 234 2HD2 ASN 28 2HD2 ASN 28 -16.884 -1.088 3.200 235 H PHE 29 H PHE 29 -10.516 -1.284 2.227 236 HA PHE 29 HA PHE 29 -11.250 -4.063 2.903 237 1HB PHE 29 2HB PHE 29 -12.769 -3.590 1.065 238 2HB PHE 29 1HB PHE 29 -11.495 -2.812 0.169 239 HD1 PHE 29 HD1 PHE 29 -12.667 -4.479 -1.531 240 HD2 PHE 29 HD2 PHE 29 -10.027 -5.680 1.633 241 HE1 PHE 29 HE1 PHE 29 -12.108 -6.529 -2.778 242 HE2 PHE 29 HE2 PHE 29 -9.460 -7.725 0.382 243 HZ PHE 29 HZ PHE 29 -10.509 -8.173 -1.821 244 H LEU 30 H LEU 30 -9.609 -2.812 0.105 245 HA LEU 30 HA LEU 30 -7.405 -4.468 -0.003 246 1HB LEU 30 2HB LEU 30 -7.258 -1.499 -0.598 247 2HB LEU 30 1HB LEU 30 -6.390 -2.803 -1.425 248 HG LEU 30 HG LEU 30 -9.332 -2.460 -1.297 249 1HD1 LEU 30 1HD1 LEU 30 -9.046 -1.002 -2.995 250 2HD1 LEU 30 2HD1 LEU 30 -8.684 -2.428 -3.968 251 3HD1 LEU 30 3HD1 LEU 30 -7.371 -1.505 -3.236 252 1HD2 LEU 30 1HD2 LEU 30 -9.399 -4.673 -1.774 253 2HD2 LEU 30 2HD2 LEU 30 -7.653 -4.708 -1.940 254 3HD2 LEU 30 3HD2 LEU 30 -8.658 -4.283 -3.323 255 H PHE 31 H PHE 31 -7.627 -1.414 1.626 256 HA PHE 31 HA PHE 31 -5.008 -1.576 2.842 257 1HB PHE 31 2HB PHE 31 -7.543 -0.025 3.300 258 2HB PHE 31 1HB PHE 31 -5.988 0.392 3.990 259 HD1 PHE 31 HD1 PHE 31 -5.337 -1.053 0.786 260 HD2 PHE 31 HD2 PHE 31 -6.809 2.544 2.631 261 HE1 PHE 31 HE1 PHE 31 -4.702 0.280 -1.207 262 HE2 PHE 31 HE2 PHE 31 -6.166 3.844 0.636 263 HZ PHE 31 HZ PHE 31 -5.111 2.704 -1.271 264 H LYS 32 H LYS 32 -8.358 -1.963 4.044 265 HA LYS 32 HA LYS 32 -7.630 -2.653 6.741 266 1HB LYS 32 2HB LYS 32 -9.814 -1.763 5.632 267 2HB LYS 32 1HB LYS 32 -10.156 -3.466 5.322 268 1HG LYS 32 2HG LYS 32 -10.377 -3.977 7.569 269 2HG LYS 32 1HG LYS 32 -9.309 -2.667 8.078 270 1HD LYS 32 2HD LYS 32 -10.999 -1.143 8.139 271 2HD LYS 32 1HD LYS 32 -11.761 -1.792 6.686 272 1HE LYS 32 2HE LYS 32 -11.839 -3.322 9.297 273 2HE LYS 32 1HE LYS 32 -13.060 -2.097 8.905 274 1HZ LYS 32 1HZ LYS 32 -12.367 -4.529 7.365 275 2HZ LYS 32 2HZ LYS 32 -13.241 -3.242 6.681 276 3HZ LYS 32 3HZ LYS 32 -13.877 -4.098 8.005 277 H GLN 33 H GLN 33 -7.309 -4.465 3.872 278 HA GLN 33 HA GLN 33 -7.494 -7.013 5.467 279 1HB GLN 33 2HB GLN 33 -8.325 -6.237 2.708 280 2HB GLN 33 1HB GLN 33 -7.851 -7.910 3.001 281 1HG GLN 33 2HG GLN 33 -9.759 -6.554 4.875 282 2HG GLN 33 1HG GLN 33 -10.353 -7.205 3.346 283 1HE2 GLN 33 1HE2 GLN 33 -11.100 -9.318 3.580 284 2HE2 GLN 33 2HE2 GLN 33 -10.457 -10.468 4.650 285 H GLY 34 H GLY 34 -5.403 -5.054 3.497 286 1HA GLY 34 2HA GLY 34 -2.994 -5.455 3.569 287 2HA GLY 34 1HA GLY 34 -3.326 -7.173 3.765 288 H LEU 35 H LEU 35 -5.069 -5.338 1.372 289 HA LEU 35 HA LEU 35 -3.802 -6.932 -0.803 290 1HB LEU 35 2HB LEU 35 -6.058 -4.912 -0.765 291 2HB LEU 35 1HB LEU 35 -5.604 -5.878 -2.147 292 HG LEU 35 HG LEU 35 -6.016 -7.874 -0.443 293 1HD1 LEU 35 1HD1 LEU 35 -7.595 -7.478 1.224 294 2HD1 LEU 35 2HD1 LEU 35 -8.172 -6.003 0.459 295 3HD1 LEU 35 3HD1 LEU 35 -6.642 -6.005 1.314 296 1HD2 LEU 35 1HD2 LEU 35 -7.984 -8.224 -1.646 297 2HD2 LEU 35 2HD2 LEU 35 -7.185 -7.022 -2.660 298 3HD2 LEU 35 3HD2 LEU 35 -8.458 -6.529 -1.543 299 H ALA 36 H ALA 36 -4.538 -3.620 0.148 300 HA ALA 36 HA ALA 36 -2.222 -2.597 -1.456 301 1HB ALA 36 1HB ALA 36 -3.725 -0.942 -2.408 302 2HB ALA 36 2HB ALA 36 -5.046 -1.512 -1.389 303 3HB ALA 36 3HB ALA 36 -4.424 -2.540 -2.676 304 H ILE 37 H ILE 37 -2.066 -0.153 -1.059 305 HA ILE 37 HA ILE 37 -2.821 0.553 1.758 306 HB ILE 37 HB ILE 37 -0.601 1.492 2.085 307 1HG1 ILE 37 2HG1 ILE 37 -0.069 0.624 -0.772 308 2HG1 ILE 37 1HG1 ILE 37 -0.251 2.288 -0.227 309 1HG2 ILE 37 1HG2 ILE 37 0.340 -0.512 2.537 310 2HG2 ILE 37 2HG2 ILE 37 0.267 -1.025 0.850 311 3HG2 ILE 37 3HG2 ILE 37 -1.155 -1.184 1.883 312 1HD1 ILE 37 1HD1 ILE 37 1.945 2.343 0.269 313 2HD1 ILE 37 2HD1 ILE 37 2.109 0.646 -0.186 314 3HD1 ILE 37 3HD1 ILE 37 1.680 1.075 1.469 315 H GLU 38 H GLU 38 -2.700 3.003 2.014 316 HA GLU 38 HA GLU 38 -4.159 4.291 -0.117 317 1HB GLU 38 2HB GLU 38 -4.265 4.971 2.257 318 2HB GLU 38 1HB GLU 38 -2.563 5.432 2.203 319 1HG GLU 38 2HG GLU 38 -3.969 6.660 0.006 320 2HG GLU 38 1HG GLU 38 -4.786 7.040 1.519 321 H ALA 39 H ALA 39 -3.216 4.766 -2.097 322 HA ALA 39 HA ALA 39 -0.440 4.716 -2.651 323 1HB ALA 39 1HB ALA 39 -2.491 5.010 -4.199 324 2HB ALA 39 2HB ALA 39 -1.005 5.840 -4.666 325 3HB ALA 39 3HB ALA 39 -2.306 6.736 -3.885 326 H THR 40 H THR 40 1.050 5.784 -1.380 327 HA THR 40 HA THR 40 0.645 8.729 -0.928 328 HB THR 40 HB THR 40 0.721 7.913 1.234 329 HG1 THR 40 HG1 THR 40 2.585 8.583 1.934 330 1HG2 THR 40 1HG2 THR 40 0.784 5.598 1.051 331 2HG2 THR 40 2HG2 THR 40 2.389 5.905 1.715 332 3HG2 THR 40 3HG2 THR 40 2.189 5.624 -0.009 333 HA PRO 41 HA PRO 41 4.256 9.524 -3.251 334 1HB PRO 41 2HB PRO 41 5.634 11.298 -1.683 335 2HB PRO 41 1HB PRO 41 4.206 11.753 -2.635 336 1HG PRO 41 2HG PRO 41 4.421 11.117 0.268 337 2HG PRO 41 1HG PRO 41 3.478 12.378 -0.544 338 1HD PRO 41 2HD PRO 41 2.371 10.074 0.345 339 2HD PRO 41 1HD PRO 41 1.761 10.939 -1.079 340 H ALA 42 H ALA 42 5.134 9.403 0.228 341 HA ALA 42 HA ALA 42 7.695 8.461 0.226 342 1HB ALA 42 1HB ALA 42 6.047 8.788 2.141 343 2HB ALA 42 2HB ALA 42 7.138 7.412 2.318 344 3HB ALA 42 3HB ALA 42 5.469 7.154 1.812 345 H ASN 43 H ASN 43 4.858 6.271 -0.095 346 HA ASN 43 HA ASN 43 6.490 3.955 -0.754 347 1HB ASN 43 2HB ASN 43 3.588 4.724 -0.702 348 2HB ASN 43 1HB ASN 43 4.052 3.221 -1.494 349 1HD2 ASN 43 1HD2 ASN 43 2.759 4.038 1.313 350 2HD2 ASN 43 2HD2 ASN 43 3.588 3.011 2.392 351 H LEU 44 H LEU 44 4.210 5.921 -2.720 352 HA LEU 44 HA LEU 44 4.535 4.753 -5.208 353 1HB LEU 44 2HB LEU 44 3.947 7.439 -4.120 354 2HB LEU 44 1HB LEU 44 4.527 7.455 -5.783 355 HG LEU 44 HG LEU 44 2.113 7.269 -5.844 356 1HD1 LEU 44 1HD1 LEU 44 3.131 4.467 -6.305 357 2HD1 LEU 44 2HD1 LEU 44 3.592 5.806 -7.352 358 3HD1 LEU 44 3HD1 LEU 44 1.896 5.345 -7.204 359 1HD2 LEU 44 1HD2 LEU 44 1.654 4.711 -4.664 360 2HD2 LEU 44 2HD2 LEU 44 1.003 6.272 -4.165 361 3HD2 LEU 44 3HD2 LEU 44 2.525 5.694 -3.486 362 H LYS 45 H LYS 45 6.893 6.667 -3.440 363 HA LYS 45 HA LYS 45 8.664 7.154 -5.693 364 1HB LYS 45 2HB LYS 45 8.693 8.532 -3.681 365 2HB LYS 45 1HB LYS 45 9.052 7.122 -2.680 366 1HG LYS 45 2HG LYS 45 11.110 6.865 -4.311 367 2HG LYS 45 1HG LYS 45 10.829 8.579 -4.608 368 1HD LYS 45 2HD LYS 45 11.953 9.037 -2.715 369 2HD LYS 45 1HD LYS 45 10.665 8.243 -1.808 370 1HE LYS 45 2HE LYS 45 11.880 6.027 -2.361 371 2HE LYS 45 1HE LYS 45 13.261 7.049 -2.805 372 1HZ LYS 45 1HZ LYS 45 12.686 6.283 -0.284 373 2HZ LYS 45 2HZ LYS 45 11.948 7.813 -0.348 374 3HZ LYS 45 3HZ LYS 45 13.605 7.650 -0.686 375 H ALA 46 H ALA 46 8.710 4.825 -2.974 376 HA ALA 46 HA ALA 46 11.027 3.373 -3.833 377 1HB ALA 46 1HB ALA 46 8.977 1.829 -2.426 378 2HB ALA 46 2HB ALA 46 9.215 3.423 -1.710 379 3HB ALA 46 3HB ALA 46 10.579 2.317 -1.873 380 H LEU 47 H LEU 47 7.548 2.898 -4.412 381 HA LEU 47 HA LEU 47 7.485 0.449 -5.753 382 1HB LEU 47 2HB LEU 47 5.832 2.620 -5.271 383 2HB LEU 47 1HB LEU 47 5.945 2.612 -7.030 384 HG LEU 47 HG LEU 47 4.052 1.239 -6.154 385 1HD1 LEU 47 1HD1 LEU 47 4.658 -0.836 -7.468 386 2HD1 LEU 47 2HD1 LEU 47 6.291 -0.188 -7.618 387 3HD1 LEU 47 3HD1 LEU 47 4.930 0.677 -8.333 388 1HD2 LEU 47 1HD2 LEU 47 4.342 -0.418 -4.614 389 2HD2 LEU 47 2HD2 LEU 47 5.833 0.444 -4.232 390 3HD2 LEU 47 3HD2 LEU 47 5.870 -0.941 -5.325 391 H GLU 48 H GLU 48 8.057 3.662 -7.238 392 HA GLU 48 HA GLU 48 8.480 2.892 -9.903 393 1HB GLU 48 2HB GLU 48 8.339 5.194 -9.298 394 2HB GLU 48 1HB GLU 48 9.649 5.043 -8.126 395 1HG GLU 48 2HG GLU 48 11.197 4.506 -10.037 396 2HG GLU 48 1HG GLU 48 9.875 4.887 -11.143 397 H ALA 49 H ALA 49 10.727 2.762 -7.169 398 HA ALA 49 HA ALA 49 13.153 2.275 -8.539 399 1HB ALA 49 1HB ALA 49 12.208 1.012 -5.953 400 2HB ALA 49 2HB ALA 49 12.711 2.697 -6.080 401 3HB ALA 49 3HB ALA 49 13.866 1.405 -6.402 402 H GLN 50 H GLN 50 10.668 -0.051 -7.446 403 HA GLN 50 HA GLN 50 11.983 -2.436 -8.242 404 1HB GLN 50 2HB GLN 50 9.730 -1.839 -6.948 405 2HB GLN 50 1HB GLN 50 9.019 -2.105 -8.541 406 1HG GLN 50 2HG GLN 50 9.718 -4.349 -8.620 407 2HG GLN 50 1HG GLN 50 10.954 -4.103 -7.387 408 1HE2 GLN 50 1HE2 GLN 50 9.471 -6.185 -6.691 409 2HE2 GLN 50 2HE2 GLN 50 8.265 -5.802 -5.560 410 H LYS 51 H LYS 51 9.530 -0.546 -10.073 411 HA LYS 51 HA LYS 51 9.692 -2.063 -12.480 412 1HB LYS 51 2HB LYS 51 8.881 0.732 -11.709 413 2HB LYS 51 1HB LYS 51 8.874 0.253 -13.406 414 1HG LYS 51 2HG LYS 51 7.473 -1.328 -11.236 415 2HG LYS 51 1HG LYS 51 6.671 -0.087 -12.198 416 1HD LYS 51 2HD LYS 51 8.200 -2.187 -13.668 417 2HD LYS 51 1HD LYS 51 6.662 -2.656 -12.943 418 1HE LYS 51 2HE LYS 51 5.443 -1.410 -14.425 419 2HE LYS 51 1HE LYS 51 6.623 -0.084 -14.424 420 1HZ LYS 51 1HZ LYS 51 7.676 -0.952 -16.167 421 2HZ LYS 51 2HZ LYS 51 6.366 -2.014 -16.357 422 3HZ LYS 51 3HZ LYS 51 7.732 -2.498 -15.470 423 H GLN 52 H GLN 52 11.959 0.095 -11.062 424 HA GLN 52 HA GLN 52 13.214 1.157 -13.421 425 1HB GLN 52 2HB GLN 52 13.390 1.561 -10.760 426 2HB GLN 52 1HB GLN 52 14.800 0.525 -10.979 427 1HG GLN 52 2HG GLN 52 15.938 2.091 -12.189 428 2HG GLN 52 1HG GLN 52 14.477 2.690 -12.975 429 1HE2 GLN 52 1HE2 GLN 52 13.595 4.622 -12.154 430 2HE2 GLN 52 2HE2 GLN 52 14.078 5.348 -10.698 431 H LYS 53 H LYS 53 15.955 0.239 -12.743 432 HA LYS 53 HA LYS 53 16.256 -1.897 -14.578 433 1HB LYS 53 2HB LYS 53 17.907 -0.184 -13.445 434 2HB LYS 53 1HB LYS 53 18.111 -1.460 -12.248 435 1HG LYS 53 2HG LYS 53 19.213 -2.840 -13.705 436 2HG LYS 53 1HG LYS 53 18.257 -2.310 -15.089 437 1HD LYS 53 2HD LYS 53 20.564 -1.542 -15.351 438 2HD LYS 53 1HD LYS 53 19.504 -0.156 -15.091 439 1HE LYS 53 2HE LYS 53 20.440 -1.214 -12.549 440 2HE LYS 53 1HE LYS 53 21.799 -0.779 -13.602 441 1HZ LYS 53 1HZ LYS 53 20.401 1.010 -12.191 442 2HZ LYS 53 2HZ LYS 53 19.546 1.043 -13.658 443 3HZ LYS 53 3HZ LYS 53 21.213 1.376 -13.634 444 H GLU 54 H GLU 54 17.639 -3.941 -13.483 445 HA GLU 54 HA GLU 54 15.887 -5.077 -11.333 446 1HB GLU 54 2HB GLU 54 15.984 -5.765 -14.061 447 2HB GLU 54 1HB GLU 54 16.864 -7.046 -13.232 448 1HG GLU 54 2HG GLU 54 14.816 -6.918 -11.552 449 2HG GLU 54 1HG GLU 54 13.995 -6.233 -12.955 450 H GLN 55 H GLN 55 17.225 -5.432 -9.614 451 HA GLN 55 HA GLN 55 19.718 -6.964 -10.010 452 1HB GLN 55 2HB GLN 55 19.799 -4.224 -10.139 453 2HB GLN 55 1HB GLN 55 20.085 -4.495 -8.420 454 1HG GLN 55 2HG GLN 55 22.135 -5.410 -8.780 455 2HG GLN 55 1HG GLN 55 21.587 -6.305 -10.198 456 1HE2 GLN 55 1HE2 GLN 55 23.987 -4.375 -9.702 457 2HE2 GLN 55 2HE2 GLN 55 23.892 -3.294 -11.007 458 H ARG 56 HN ARG 56 17.053 -7.151 -8.598 459 HA ARG 56 HA ARG 56 18.096 -8.105 -6.018 460 1HB ARG 56 2HB ARG 56 17.600 -5.538 -6.009 461 2HB ARG 56 1HB ARG 56 15.907 -6.033 -5.994 462 1HG ARG 56 2HG ARG 56 16.016 -6.524 -3.801 463 2HG ARG 56 1HG ARG 56 17.390 -7.597 -4.074 464 1HD ARG 56 2HD ARG 56 18.952 -5.946 -3.585 465 2HD ARG 56 1HD ARG 56 17.871 -4.632 -4.086 466 HE ARG 56 HE ARG 56 16.719 -6.031 -1.860 467 1HH1 ARG 56 1HH1 ARG 56 17.111 -3.004 -2.315 468 2HH1 ARG 56 2HH1 ARG 56 18.116 -2.608 -0.961 469 1HH2 ARG 56 1HH2 ARG 56 18.955 -5.906 -0.281 470 2HH2 ARG 56 2HH2 ARG 56 19.152 -4.250 0.195 Start of MODEL 12 1 1H MET 1 1H MET 1 -9.355 8.626 -4.016 2 2H MET 1 2H MET 1 -10.334 7.530 -3.166 3 3H MET 1 3H MET 1 -9.574 7.052 -4.607 4 HA MET 1 HA MET 1 -7.764 8.018 -2.560 5 1HB MET 1 2HB MET 1 -9.760 6.783 -1.436 6 2HB MET 1 1HB MET 1 -9.112 5.325 -2.203 7 1HG MET 1 2HG MET 1 -7.510 5.161 -0.641 8 2HG MET 1 1HG MET 1 -6.966 6.806 -0.977 9 1HE MET 1 1HE MET 1 -7.673 4.650 1.618 10 2HE MET 1 2HE MET 1 -7.821 5.815 2.931 11 3HE MET 1 3HE MET 1 -6.481 5.944 1.792 12 H LYS 2 H LYS 2 -6.158 7.876 -4.246 13 HA LYS 2 HA LYS 2 -5.925 5.821 -6.159 14 1HB LYS 2 2HB LYS 2 -4.187 7.832 -4.865 15 2HB LYS 2 1HB LYS 2 -3.321 6.450 -5.529 16 1HG LYS 2 2HG LYS 2 -4.996 6.949 -7.581 17 2HG LYS 2 1HG LYS 2 -4.816 8.582 -6.933 18 1HD LYS 2 2HD LYS 2 -2.247 7.904 -6.867 19 2HD LYS 2 1HD LYS 2 -2.746 6.779 -8.132 20 1HE LYS 2 2HE LYS 2 -3.970 9.253 -8.774 21 2HE LYS 2 1HE LYS 2 -2.287 9.620 -8.347 22 1HZ LYS 2 1HZ LYS 2 -2.396 8.957 -10.650 23 2HZ LYS 2 2HZ LYS 2 -3.205 7.521 -10.242 24 3HZ LYS 2 3HZ LYS 2 -1.591 7.755 -9.764 25 H VAL 3 H VAL 3 -4.762 3.690 -6.017 26 HA VAL 3 HA VAL 3 -4.191 2.923 -3.212 27 HB VAL 3 HB VAL 3 -6.044 1.946 -5.311 28 1HG1 VAL 3 1HG1 VAL 3 -4.725 -0.013 -4.844 29 2HG1 VAL 3 2HG1 VAL 3 -6.302 -0.188 -4.071 30 3HG1 VAL 3 3HG1 VAL 3 -4.882 0.231 -3.105 31 1HG2 VAL 3 1HG2 VAL 3 -6.737 1.700 -2.515 32 2HG2 VAL 3 2HG2 VAL 3 -7.516 2.638 -3.789 33 3HG2 VAL 3 3HG2 VAL 3 -6.155 3.317 -2.904 34 H ILE 4 H ILE 4 -2.391 1.821 -2.865 35 HA ILE 4 HA ILE 4 -0.826 0.678 -5.117 36 HB ILE 4 HB ILE 4 -0.395 1.843 -2.404 37 1HG1 ILE 4 2HG1 ILE 4 0.395 2.245 -5.134 38 2HG1 ILE 4 1HG1 ILE 4 0.681 3.308 -3.767 39 1HG2 ILE 4 1HG2 ILE 4 0.498 -0.185 -1.797 40 2HG2 ILE 4 2HG2 ILE 4 1.905 0.646 -2.434 41 3HG2 ILE 4 3HG2 ILE 4 1.064 -0.545 -3.425 42 1HD1 ILE 4 1HD1 ILE 4 2.846 2.824 -4.605 43 2HD1 ILE 4 2HD1 ILE 4 2.457 1.121 -4.860 44 3HD1 ILE 4 3HD1 ILE 4 2.672 1.741 -3.223 45 H PHE 5 H PHE 5 -2.027 -1.341 -5.369 46 HA PHE 5 HA PHE 5 -2.738 -2.993 -3.089 47 1HB PHE 5 2HB PHE 5 -2.371 -3.346 -6.028 48 2HB PHE 5 1HB PHE 5 -2.432 -4.781 -5.024 49 HD1 PHE 5 HD1 PHE 5 -4.464 -5.543 -4.035 50 HD2 PHE 5 HD2 PHE 5 -4.365 -1.782 -6.116 51 HE1 PHE 5 HE1 PHE 5 -6.931 -5.505 -4.079 52 HE2 PHE 5 HE2 PHE 5 -6.841 -1.750 -6.146 53 HZ PHE 5 HZ PHE 5 -8.115 -3.618 -5.147 54 H LEU 6 H LEU 6 -1.249 -4.125 -1.842 55 HA LEU 6 HA LEU 6 1.557 -4.131 -2.659 56 1HB LEU 6 2HB LEU 6 1.781 -5.449 -0.506 57 2HB LEU 6 1HB LEU 6 0.983 -3.893 -0.303 58 HG LEU 6 HG LEU 6 -0.936 -5.978 -0.954 59 1HD1 LEU 6 1HD1 LEU 6 1.201 -6.689 0.866 60 2HD1 LEU 6 2HD1 LEU 6 -0.156 -7.671 0.312 61 3HD1 LEU 6 3HD1 LEU 6 -0.340 -6.625 1.720 62 1HD2 LEU 6 1HD2 LEU 6 -2.069 -5.047 0.984 63 2HD2 LEU 6 2HD2 LEU 6 -1.373 -3.718 0.057 64 3HD2 LEU 6 3HD2 LEU 6 -0.579 -4.275 1.530 65 H LYS 7 H LYS 7 -1.222 -6.227 -2.717 66 HA LYS 7 HA LYS 7 0.405 -8.366 -4.029 67 1HB LYS 7 2HB LYS 7 -1.881 -8.351 -2.109 68 2HB LYS 7 1HB LYS 7 -1.850 -9.638 -3.317 69 1HG LYS 7 2HG LYS 7 0.376 -10.302 -2.636 70 2HG LYS 7 1HG LYS 7 0.478 -8.941 -1.520 71 1HD LYS 7 2HD LYS 7 -0.133 -10.706 -0.100 72 2HD LYS 7 1HD LYS 7 -1.688 -9.958 -0.470 73 1HE LYS 7 2HE LYS 7 -1.710 -11.657 -2.488 74 2HE LYS 7 1HE LYS 7 -0.555 -12.554 -1.481 75 1HZ LYS 7 1HZ LYS 7 -2.139 -12.198 0.403 76 2HZ LYS 7 2HZ LYS 7 -2.715 -13.234 -0.814 77 3HZ LYS 7 3HZ LYS 7 -3.275 -11.633 -0.724 78 H ASP 8 H ASP 8 -1.642 -9.761 -5.199 79 HA ASP 8 HA ASP 8 -2.834 -7.752 -7.099 80 1HB ASP 8 2HB ASP 8 -2.289 -9.259 -8.850 81 2HB ASP 8 1HB ASP 8 -0.881 -9.280 -7.790 82 H VAL 9 H VAL 9 -4.961 -8.054 -7.686 83 HA VAL 9 HA VAL 9 -6.534 -10.036 -6.112 84 HB VAL 9 HB VAL 9 -7.538 -7.805 -7.896 85 1HG1 VAL 9 1HG1 VAL 9 -9.543 -8.470 -7.148 86 2HG1 VAL 9 2HG1 VAL 9 -9.017 -8.239 -5.481 87 3HG1 VAL 9 3HG1 VAL 9 -8.758 -9.790 -6.280 88 1HG2 VAL 9 1HG2 VAL 9 -7.137 -7.456 -4.936 89 2HG2 VAL 9 2HG2 VAL 9 -7.303 -6.222 -6.183 90 3HG2 VAL 9 3HG2 VAL 9 -5.800 -7.130 -6.039 91 H LYS 10 H LYS 10 -7.918 -11.529 -7.253 92 HA LYS 10 HA LYS 10 -6.905 -12.341 -9.845 93 1HB LYS 10 2HB LYS 10 -9.360 -13.191 -8.272 94 2HB LYS 10 1HB LYS 10 -8.635 -14.092 -9.604 95 1HG LYS 10 2HG LYS 10 -6.550 -14.346 -8.328 96 2HG LYS 10 1HG LYS 10 -7.232 -13.402 -7.003 97 1HD LYS 10 2HD LYS 10 -9.016 -15.564 -7.758 98 2HD LYS 10 1HD LYS 10 -7.417 -16.181 -7.342 99 1HE LYS 10 2HE LYS 10 -7.794 -15.802 -5.143 100 2HE LYS 10 1HE LYS 10 -8.220 -14.109 -5.470 101 1HZ LYS 10 1HZ LYS 10 -10.023 -16.415 -5.976 102 2HZ LYS 10 2HZ LYS 10 -10.410 -14.766 -6.118 103 3HZ LYS 10 3HZ LYS 10 -10.100 -15.440 -4.590 104 H GLY 11 H GLY 11 -7.495 -9.944 -10.587 105 1HA GLY 11 2HA GLY 11 -9.512 -10.186 -12.563 106 2HA GLY 11 1HA GLY 11 -10.200 -9.306 -11.200 107 H LYS 12 H LYS 12 -8.004 -7.815 -10.351 108 HA LYS 12 HA LYS 12 -7.025 -6.349 -12.751 109 1HB LYS 12 2HB LYS 12 -9.361 -5.681 -11.272 110 2HB LYS 12 1HB LYS 12 -8.150 -4.445 -10.934 111 1HG LYS 12 2HG LYS 12 -7.825 -4.034 -13.304 112 2HG LYS 12 1HG LYS 12 -8.897 -5.373 -13.721 113 1HD LYS 12 2HD LYS 12 -10.481 -3.885 -12.036 114 2HD LYS 12 1HD LYS 12 -9.562 -2.632 -12.872 115 1HE LYS 12 2HE LYS 12 -10.202 -4.235 -14.981 116 2HE LYS 12 1HE LYS 12 -11.621 -4.478 -13.940 117 1HZ LYS 12 1HZ LYS 12 -11.848 -2.107 -13.699 118 2HZ LYS 12 2HZ LYS 12 -11.837 -2.490 -15.354 119 3HZ LYS 12 3HZ LYS 12 -10.452 -1.833 -14.623 120 H GLY 13 H GLY 13 -6.861 -6.854 -9.253 121 1HA GLY 13 2HA GLY 13 -4.981 -4.807 -8.671 122 2HA GLY 13 1HA GLY 13 -5.203 -6.254 -7.698 123 H LYS 14 H LYS 14 -2.703 -5.123 -8.136 124 HA LYS 14 HA LYS 14 -1.267 -7.326 -9.452 125 1HB LYS 14 2HB LYS 14 -1.179 -4.396 -10.245 126 2HB LYS 14 1HB LYS 14 0.080 -5.543 -10.702 127 1HG LYS 14 2HG LYS 14 -2.104 -6.946 -11.464 128 2HG LYS 14 1HG LYS 14 -2.713 -5.306 -11.684 129 1HD LYS 14 2HD LYS 14 -1.719 -5.729 -13.759 130 2HD LYS 14 1HD LYS 14 -0.423 -4.901 -12.896 131 1HE LYS 14 2HE LYS 14 0.858 -6.714 -13.406 132 2HE LYS 14 1HE LYS 14 -0.082 -7.574 -12.170 133 1HZ LYS 14 1HZ LYS 14 -1.434 -8.519 -13.709 134 2HZ LYS 14 2HZ LYS 14 -0.052 -8.357 -14.685 135 3HZ LYS 14 3HZ LYS 14 -1.313 -7.224 -14.795 136 H LYS 15 H LYS 15 1.188 -6.880 -8.976 137 HA LYS 15 HA LYS 15 1.448 -6.505 -6.153 138 1HB LYS 15 2HB LYS 15 3.154 -6.986 -8.532 139 2HB LYS 15 1HB LYS 15 3.973 -6.379 -7.093 140 1HG LYS 15 2HG LYS 15 3.561 -8.997 -7.465 141 2HG LYS 15 1HG LYS 15 3.527 -8.274 -5.863 142 1HD LYS 15 2HD LYS 15 1.296 -8.656 -5.607 143 2HD LYS 15 1HD LYS 15 0.902 -8.211 -7.267 144 1HE LYS 15 2HE LYS 15 2.363 -10.797 -6.687 145 2HE LYS 15 1HE LYS 15 0.595 -10.705 -6.563 146 1HZ LYS 15 1HZ LYS 15 1.851 -9.468 -8.894 147 2HZ LYS 15 2HZ LYS 15 0.359 -10.272 -8.768 148 3HZ LYS 15 3HZ LYS 15 1.804 -11.162 -8.860 149 H GLY 16 H GLY 16 1.851 -4.730 -4.975 150 1HA GLY 16 2HA GLY 16 1.779 -2.392 -4.554 151 2HA GLY 16 1HA GLY 16 3.278 -2.407 -5.464 152 H GLU 17 H GLU 17 0.199 -3.282 -6.983 153 HA GLU 17 HA GLU 17 0.558 -1.405 -9.114 154 1HB GLU 17 2HB GLU 17 -1.241 -2.511 -9.935 155 2HB GLU 17 1HB GLU 17 -1.123 -3.529 -8.503 156 1HG GLU 17 2HG GLU 17 -2.730 -2.106 -7.322 157 2HG GLU 17 1HG GLU 17 -2.773 -0.983 -8.677 158 H ILE 18 H ILE 18 0.263 0.766 -9.104 159 HA ILE 18 HA ILE 18 -1.358 1.946 -6.841 160 HB ILE 18 HB ILE 18 0.677 3.426 -8.493 161 1HG1 ILE 18 2HG1 ILE 18 2.183 2.647 -6.394 162 2HG1 ILE 18 1HG1 ILE 18 1.211 1.191 -6.609 163 1HG2 ILE 18 1HG2 ILE 18 0.844 3.988 -5.756 164 2HG2 ILE 18 2HG2 ILE 18 -0.876 3.799 -6.086 165 3HG2 ILE 18 3HG2 ILE 18 0.074 4.979 -6.993 166 1HD1 ILE 18 1HD1 ILE 18 2.123 2.241 -9.161 167 2HD1 ILE 18 2HD1 ILE 18 2.342 0.629 -8.477 168 3HD1 ILE 18 3HD1 ILE 18 3.479 1.918 -8.080 169 H LYS 19 H LYS 19 -3.178 2.726 -7.499 170 HA LYS 19 HA LYS 19 -3.449 4.579 -9.732 171 1HB LYS 19 2HB LYS 19 -3.575 2.172 -10.682 172 2HB LYS 19 1HB LYS 19 -5.078 2.011 -9.774 173 1HG LYS 19 2HG LYS 19 -6.116 3.792 -11.007 174 2HG LYS 19 1HG LYS 19 -4.579 4.271 -11.728 175 1HD LYS 19 2HD LYS 19 -4.764 1.611 -12.445 176 2HD LYS 19 1HD LYS 19 -6.443 2.148 -12.540 177 1HE LYS 19 2HE LYS 19 -5.840 3.960 -14.048 178 2HE LYS 19 1HE LYS 19 -4.113 3.591 -13.856 179 1HZ LYS 19 1HZ LYS 19 -6.032 1.511 -14.702 180 2HZ LYS 19 2HZ LYS 19 -4.346 1.545 -14.902 181 3HZ LYS 19 3HZ LYS 19 -5.336 2.557 -15.842 182 H ASN 20 H ASN 20 -6.398 3.209 -9.276 183 HA ASN 20 HA ASN 20 -6.909 4.096 -6.534 184 1HB ASN 20 2HB ASN 20 -8.610 5.740 -7.130 185 2HB ASN 20 1HB ASN 20 -7.095 6.193 -7.942 186 1HD2 ASN 20 1HD2 ASN 20 -9.872 6.832 -8.842 187 2HD2 ASN 20 2HD2 ASN 20 -10.030 6.148 -10.387 188 H VAL 21 H VAL 21 -8.092 2.563 -5.762 189 HA VAL 21 HA VAL 21 -9.630 0.760 -7.522 190 HB VAL 21 HB VAL 21 -8.130 0.309 -5.413 191 1HG1 VAL 21 1HG1 VAL 21 -10.497 0.601 -3.735 192 2HG1 VAL 21 2HG1 VAL 21 -9.751 2.116 -4.246 193 3HG1 VAL 21 3HG1 VAL 21 -8.802 0.917 -3.366 194 1HG2 VAL 21 1HG2 VAL 21 -9.923 -1.377 -4.537 195 2HG2 VAL 21 2HG2 VAL 21 -9.137 -1.605 -6.099 196 3HG2 VAL 21 3HG2 VAL 21 -10.752 -0.897 -6.018 197 H ALA 22 H ALA 22 -11.639 0.576 -5.227 198 HA ALA 22 HA ALA 22 -13.287 2.875 -6.092 199 1HB ALA 22 1HB ALA 22 -14.160 1.625 -3.645 200 2HB ALA 22 2HB ALA 22 -13.688 0.381 -4.796 201 3HB ALA 22 3HB ALA 22 -14.922 1.562 -5.226 202 H ASP 23 H ASP 23 -12.534 4.818 -5.362 203 HA ASP 23 HA ASP 23 -10.620 5.577 -3.716 204 1HB ASP 23 2HB ASP 23 -13.473 6.595 -3.907 205 2HB ASP 23 1HB ASP 23 -12.186 7.508 -3.152 206 H GLY 24 H GLY 24 -13.723 4.266 -2.526 207 1HA GLY 24 2HA GLY 24 -12.788 4.641 0.278 208 2HA GLY 24 1HA GLY 24 -14.420 4.160 -0.196 209 H TYR 25 H TYR 25 -13.599 2.147 -2.073 210 HA TYR 25 HA TYR 25 -13.450 -0.260 -0.608 211 1HB TYR 25 2HB TYR 25 -13.914 -0.161 -2.973 212 2HB TYR 25 1HB TYR 25 -12.449 0.752 -3.272 213 HD1 TYR 25 HD1 TYR 25 -12.756 -1.188 -5.130 214 HD2 TYR 25 HD2 TYR 25 -11.349 -1.789 -1.124 215 HE1 TYR 25 HE1 TYR 25 -11.638 -3.273 -5.836 216 HE2 TYR 25 HE2 TYR 25 -10.266 -3.857 -1.841 217 HH TYR 25 HH TYR 25 -9.960 -4.758 -5.180 218 H ALA 26 H ALA 26 -10.946 1.559 -2.228 219 HA ALA 26 HA ALA 26 -8.533 0.463 -1.569 220 1HB ALA 26 1HB ALA 26 -8.900 2.675 -2.625 221 2HB ALA 26 2HB ALA 26 -7.761 2.847 -1.298 222 3HB ALA 26 3HB ALA 26 -9.438 3.344 -1.090 223 H ASN 27 H ASN 27 -9.943 2.807 0.783 224 HA ASN 27 HA ASN 27 -8.387 1.604 2.964 225 1HB ASN 27 2HB ASN 27 -8.444 3.913 3.100 226 2HB ASN 27 1HB ASN 27 -10.085 4.013 2.479 227 1HD2 ASN 27 1HD2 ASN 27 -11.577 4.577 3.969 228 2HD2 ASN 27 2HD2 ASN 27 -11.455 4.303 5.628 229 H ASN 28 H ASN 28 -11.149 0.517 1.599 230 HA ASN 28 HA ASN 28 -12.388 -0.155 4.249 231 1HB ASN 28 2HB ASN 28 -13.649 1.237 2.557 232 2HB ASN 28 1HB ASN 28 -13.632 -0.161 1.485 233 1HD2 ASN 28 1HD2 ASN 28 -14.819 -2.123 2.215 234 2HD2 ASN 28 2HD2 ASN 28 -16.055 -1.988 3.372 235 H PHE 29 H PHE 29 -10.382 -1.532 2.000 236 HA PHE 29 HA PHE 29 -11.182 -4.262 2.787 237 1HB PHE 29 2HB PHE 29 -12.746 -3.865 0.999 238 2HB PHE 29 1HB PHE 29 -11.542 -3.037 0.059 239 HD1 PHE 29 HD1 PHE 29 -10.167 -6.027 1.527 240 HD2 PHE 29 HD2 PHE 29 -12.522 -4.556 -1.734 241 HE1 PHE 29 HE1 PHE 29 -9.557 -8.006 0.205 242 HE2 PHE 29 HE2 PHE 29 -11.937 -6.550 -3.059 243 HZ PHE 29 HZ PHE 29 -10.463 -8.297 -2.085 244 H LEU 30 H LEU 30 -9.150 -2.335 0.560 245 HA LEU 30 HA LEU 30 -7.121 -4.455 0.426 246 1HB LEU 30 2HB LEU 30 -6.960 -1.598 -0.586 247 2HB LEU 30 1HB LEU 30 -6.143 -3.024 -1.240 248 HG LEU 30 HG LEU 30 -9.102 -2.796 -1.065 249 1HD1 LEU 30 1HD1 LEU 30 -7.274 -1.579 -3.041 250 2HD1 LEU 30 2HD1 LEU 30 -8.938 -1.155 -2.641 251 3HD1 LEU 30 3HD1 LEU 30 -8.610 -2.500 -3.734 252 1HD2 LEU 30 1HD2 LEU 30 -8.569 -4.381 -3.215 253 2HD2 LEU 30 2HD2 LEU 30 -8.795 -5.011 -1.585 254 3HD2 LEU 30 3HD2 LEU 30 -7.169 -4.730 -2.208 255 H PHE 31 H PHE 31 -7.618 -1.422 1.947 256 HA PHE 31 HA PHE 31 -4.899 -1.233 2.999 257 1HB PHE 31 2HB PHE 31 -7.519 0.163 3.432 258 2HB PHE 31 1HB PHE 31 -5.976 0.755 4.014 259 HD1 PHE 31 HD1 PHE 31 -7.019 2.694 2.498 260 HD2 PHE 31 HD2 PHE 31 -5.315 -0.930 0.932 261 HE1 PHE 31 HE1 PHE 31 -6.567 3.837 0.372 262 HE2 PHE 31 HE2 PHE 31 -4.854 0.257 -1.196 263 HZ PHE 31 HZ PHE 31 -5.468 2.620 -1.450 264 H LYS 32 H LYS 32 -8.127 -1.474 4.584 265 HA LYS 32 HA LYS 32 -7.087 -1.990 7.196 266 1HB LYS 32 2HB LYS 32 -9.315 -1.166 6.879 267 2HB LYS 32 1HB LYS 32 -9.738 -2.522 5.834 268 1HG LYS 32 2HG LYS 32 -8.760 -3.290 8.515 269 2HG LYS 32 1HG LYS 32 -10.294 -2.420 8.511 270 1HD LYS 32 2HD LYS 32 -10.585 -4.205 6.412 271 2HD LYS 32 1HD LYS 32 -9.699 -5.142 7.613 272 1HE LYS 32 2HE LYS 32 -11.400 -4.873 9.248 273 2HE LYS 32 1HE LYS 32 -12.149 -3.529 8.362 274 1HZ LYS 32 1HZ LYS 32 -13.177 -5.845 8.090 275 2HZ LYS 32 2HZ LYS 32 -11.827 -6.188 7.115 276 3HZ LYS 32 3HZ LYS 32 -12.894 -4.937 6.688 277 H GLN 33 H GLN 33 -7.057 -4.020 4.470 278 HA GLN 33 HA GLN 33 -6.983 -6.464 6.215 279 1HB GLN 33 2HB GLN 33 -7.551 -6.113 3.257 280 2HB GLN 33 1HB GLN 33 -7.511 -7.663 4.093 281 1HG GLN 33 2HG GLN 33 -9.195 -5.955 5.613 282 2HG GLN 33 1HG GLN 33 -9.680 -5.790 3.924 283 1HE2 GLN 33 1HE2 GLN 33 -10.381 -7.766 2.782 284 2HE2 GLN 33 2HE2 GLN 33 -10.857 -9.144 3.651 285 H GLY 34 H GLY 34 -5.776 -6.854 3.025 286 1HA GLY 34 2HA GLY 34 -3.003 -6.161 3.661 287 2HA GLY 34 1HA GLY 34 -3.320 -7.896 3.616 288 H LEU 35 H LEU 35 -5.078 -5.699 1.515 289 HA LEU 35 HA LEU 35 -3.822 -7.046 -0.828 290 1HB LEU 35 2HB LEU 35 -6.146 -5.117 -0.716 291 2HB LEU 35 1HB LEU 35 -5.731 -6.190 -2.035 292 HG LEU 35 HG LEU 35 -5.973 -7.962 0.029 293 1HD1 LEU 35 1HD1 LEU 35 -6.846 -6.083 1.481 294 2HD1 LEU 35 2HD1 LEU 35 -7.965 -7.428 1.290 295 3HD1 LEU 35 3HD1 LEU 35 -8.206 -5.946 0.368 296 1HD2 LEU 35 1HD2 LEU 35 -8.086 -6.924 -1.876 297 2HD2 LEU 35 2HD2 LEU 35 -8.171 -8.473 -1.032 298 3HD2 LEU 35 3HD2 LEU 35 -6.898 -8.181 -2.221 299 H ALA 36 H ALA 36 -4.680 -3.758 0.275 300 HA ALA 36 HA ALA 36 -2.318 -2.688 -1.252 301 1HB ALA 36 1HB ALA 36 -3.749 -1.053 -2.289 302 2HB ALA 36 2HB ALA 36 -5.103 -1.516 -1.265 303 3HB ALA 36 3HB ALA 36 -4.527 -2.621 -2.511 304 H ILE 37 H ILE 37 -2.342 -0.157 -0.889 305 HA ILE 37 HA ILE 37 -3.229 0.590 1.848 306 HB ILE 37 HB ILE 37 -0.916 1.560 2.237 307 1HG1 ILE 37 2HG1 ILE 37 -0.611 0.362 -0.439 308 2HG1 ILE 37 1HG1 ILE 37 0.285 1.673 0.310 309 1HG2 ILE 37 1HG2 ILE 37 -0.668 -1.404 1.872 310 2HG2 ILE 37 2HG2 ILE 37 -1.919 -0.784 2.950 311 3HG2 ILE 37 3HG2 ILE 37 -0.225 -0.403 3.256 312 1HD1 ILE 37 1HD1 ILE 37 1.576 0.024 1.641 313 2HD1 ILE 37 2HD1 ILE 37 1.773 -0.241 -0.092 314 3HD1 ILE 37 3HD1 ILE 37 0.704 -1.287 0.844 315 H GLU 38 H GLU 38 -3.873 2.664 1.893 316 HA GLU 38 HA GLU 38 -4.695 4.182 -0.246 317 1HB GLU 38 2HB GLU 38 -4.678 6.054 1.275 318 2HB GLU 38 1HB GLU 38 -4.966 4.604 2.238 319 1HG GLU 38 2HG GLU 38 -2.311 4.587 2.366 320 2HG GLU 38 1HG GLU 38 -2.523 6.313 2.075 321 H ALA 39 H ALA 39 -3.613 4.806 -2.055 322 HA ALA 39 HA ALA 39 -0.779 4.900 -2.313 323 1HB ALA 39 1HB ALA 39 -2.556 4.954 -4.110 324 2HB ALA 39 2HB ALA 39 -1.224 6.084 -4.367 325 3HB ALA 39 3HB ALA 39 -2.771 6.667 -3.753 326 H THR 40 H THR 40 0.716 6.252 -1.454 327 HA THR 40 HA THR 40 0.047 9.118 -0.945 328 HB THR 40 HB THR 40 -0.244 8.486 1.255 329 HG1 THR 40 HG1 THR 40 2.142 8.129 2.094 330 1HG2 THR 40 1HG2 THR 40 1.120 6.016 0.345 331 2HG2 THR 40 2HG2 THR 40 -0.281 6.204 1.397 332 3HG2 THR 40 3HG2 THR 40 1.343 6.417 2.044 333 HA PRO 41 HA PRO 41 3.966 9.771 -2.756 334 1HB PRO 41 2HB PRO 41 5.131 11.597 -1.079 335 2HB PRO 41 1HB PRO 41 3.897 12.034 -2.278 336 1HG PRO 41 2HG PRO 41 3.626 11.618 0.654 337 2HG PRO 41 1HG PRO 41 2.830 12.796 -0.401 338 1HD PRO 41 2HD PRO 41 1.627 10.520 0.512 339 2HD PRO 41 1HD PRO 41 1.175 11.338 -0.994 340 H ALA 42 H ALA 42 4.234 9.805 0.827 341 HA ALA 42 HA ALA 42 6.725 8.789 1.309 342 1HB ALA 42 1HB ALA 42 5.752 8.648 3.340 343 2HB ALA 42 2HB ALA 42 4.845 7.226 2.823 344 3HB ALA 42 3HB ALA 42 4.173 8.838 2.578 345 H ASN 43 H ASN 43 3.910 6.641 0.645 346 HA ASN 43 HA ASN 43 5.614 4.298 0.306 347 1HB ASN 43 2HB ASN 43 2.829 5.005 0.561 348 2HB ASN 43 1HB ASN 43 3.038 3.891 -0.793 349 1HD2 ASN 43 1HD2 ASN 43 1.695 2.835 1.356 350 2HD2 ASN 43 2HD2 ASN 43 2.695 1.765 2.231 351 H LEU 44 H LEU 44 3.588 6.210 -1.971 352 HA LEU 44 HA LEU 44 4.144 4.889 -4.361 353 1HB LEU 44 2HB LEU 44 4.108 7.900 -3.898 354 2HB LEU 44 1HB LEU 44 3.777 7.086 -5.424 355 HG LEU 44 HG LEU 44 2.135 6.384 -3.005 356 1HD1 LEU 44 1HD1 LEU 44 1.316 8.600 -4.865 357 2HD1 LEU 44 2HD1 LEU 44 2.309 8.958 -3.452 358 3HD1 LEU 44 3HD1 LEU 44 0.717 8.231 -3.247 359 1HD2 LEU 44 1HD2 LEU 44 0.805 5.373 -4.529 360 2HD2 LEU 44 2HD2 LEU 44 2.181 5.522 -5.623 361 3HD2 LEU 44 3HD2 LEU 44 0.900 6.736 -5.643 362 H LYS 45 H LYS 45 6.226 6.921 -2.405 363 HA LYS 45 HA LYS 45 8.361 7.135 -4.399 364 1HB LYS 45 2HB LYS 45 7.718 8.699 -2.421 365 2HB LYS 45 1HB LYS 45 8.573 7.533 -1.408 366 1HG LYS 45 2HG LYS 45 10.344 7.924 -3.492 367 2HG LYS 45 1HG LYS 45 9.649 9.531 -3.272 368 1HD LYS 45 2HD LYS 45 10.922 7.826 -1.111 369 2HD LYS 45 1HD LYS 45 11.607 9.285 -1.826 370 1HE LYS 45 2HE LYS 45 8.868 9.434 -0.599 371 2HE LYS 45 1HE LYS 45 10.293 9.462 0.458 372 1HZ LYS 45 1HZ LYS 45 11.198 11.140 -1.234 373 2HZ LYS 45 2HZ LYS 45 10.025 11.682 -0.130 374 3HZ LYS 45 3HZ LYS 45 9.586 11.317 -1.732 375 H ALA 46 H ALA 46 7.493 5.049 -1.697 376 HA ALA 46 HA ALA 46 9.992 3.646 -1.423 377 1HB ALA 46 1HB ALA 46 8.497 1.990 -0.279 378 2HB ALA 46 2HB ALA 46 7.100 2.871 -0.897 379 3HB ALA 46 3HB ALA 46 8.192 3.646 0.251 380 H LEU 47 H LEU 47 7.036 3.019 -3.320 381 HA LEU 47 HA LEU 47 7.630 0.540 -4.475 382 1HB LEU 47 2HB LEU 47 6.093 2.976 -5.100 383 2HB LEU 47 1HB LEU 47 6.541 2.045 -6.529 384 HG LEU 47 HG LEU 47 4.322 1.417 -5.416 385 1HD1 LEU 47 1HD1 LEU 47 4.752 -1.012 -5.719 386 2HD1 LEU 47 2HD1 LEU 47 6.487 -0.690 -5.722 387 3HD1 LEU 47 3HD1 LEU 47 5.470 -0.057 -7.016 388 1HD2 LEU 47 1HD2 LEU 47 4.315 0.318 -3.357 389 2HD2 LEU 47 2HD2 LEU 47 5.562 1.537 -3.095 390 3HD2 LEU 47 3HD2 LEU 47 6.018 -0.125 -3.473 391 H GLU 48 H GLU 48 8.671 3.784 -5.586 392 HA GLU 48 HA GLU 48 10.323 2.765 -7.744 393 1HB GLU 48 2HB GLU 48 9.187 5.109 -7.217 394 2HB GLU 48 1HB GLU 48 10.724 5.423 -6.412 395 1HG GLU 48 2HG GLU 48 11.201 4.181 -8.975 396 2HG GLU 48 1HG GLU 48 10.175 5.601 -9.182 397 H ALA 49 H ALA 49 10.732 3.246 -4.320 398 HA ALA 49 HA ALA 49 13.676 3.238 -4.410 399 1HB ALA 49 1HB ALA 49 11.955 2.750 -1.982 400 2HB ALA 49 2HB ALA 49 12.003 4.353 -2.713 401 3HB ALA 49 3HB ALA 49 13.483 3.621 -2.092 402 H GLN 50 H GLN 50 11.037 1.000 -3.515 403 HA GLN 50 HA GLN 50 12.586 -1.177 -2.581 404 1HB GLN 50 2HB GLN 50 10.254 -1.313 -2.306 405 2HB GLN 50 1HB GLN 50 9.934 -0.835 -3.972 406 1HG GLN 50 2HG GLN 50 11.492 -3.295 -3.851 407 2HG GLN 50 1HG GLN 50 9.963 -3.449 -2.983 408 1HE2 GLN 50 1HE2 GLN 50 11.398 -3.262 -6.143 409 2HE2 GLN 50 2HE2 GLN 50 9.950 -3.270 -7.029 410 H LYS 51 H LYS 51 11.854 -0.119 -5.888 411 HA LYS 51 HA LYS 51 12.862 -2.460 -7.233 412 1HB LYS 51 2HB LYS 51 11.407 -0.871 -8.340 413 2HB LYS 51 1HB LYS 51 12.535 0.449 -8.025 414 1HG LYS 51 2HG LYS 51 13.843 -0.096 -9.796 415 2HG LYS 51 1HG LYS 51 13.768 -1.819 -9.422 416 1HD LYS 51 2HD LYS 51 11.279 -0.550 -10.452 417 2HD LYS 51 1HD LYS 51 12.595 -0.788 -11.604 418 1HE LYS 51 2HE LYS 51 11.748 -3.040 -9.779 419 2HE LYS 51 1HE LYS 51 10.892 -2.737 -11.304 420 1HZ LYS 51 1HZ LYS 51 13.624 -3.637 -10.866 421 2HZ LYS 51 2HZ LYS 51 13.414 -2.488 -12.102 422 3HZ LYS 51 3HZ LYS 51 12.571 -3.963 -12.154 423 H GLN 52 H GLN 52 14.355 0.566 -6.134 424 HA GLN 52 HA GLN 52 16.849 0.510 -7.388 425 1HB GLN 52 2HB GLN 52 15.818 2.135 -5.688 426 2HB GLN 52 1HB GLN 52 16.429 1.047 -4.441 427 1HG GLN 52 2HG GLN 52 18.202 2.547 -4.651 428 2HG GLN 52 1HG GLN 52 18.694 1.265 -5.758 429 1HE2 GLN 52 1HE2 GLN 52 19.950 3.104 -6.841 430 2HE2 GLN 52 2HE2 GLN 52 19.125 4.079 -7.960 431 H LYS 53 H LYS 53 15.741 -1.450 -4.642 432 HA LYS 53 HA LYS 53 17.936 -3.365 -5.121 433 1HB LYS 53 2HB LYS 53 18.499 -1.294 -3.520 434 2HB LYS 53 1HB LYS 53 17.675 -2.305 -2.335 435 1HG LYS 53 2HG LYS 53 20.087 -2.767 -2.318 436 2HG LYS 53 1HG LYS 53 19.200 -4.178 -2.895 437 1HD LYS 53 2HD LYS 53 20.505 -4.138 -4.733 438 2HD LYS 53 1HD LYS 53 19.688 -2.643 -5.191 439 1HE LYS 53 2HE LYS 53 21.634 -1.525 -4.911 440 2HE LYS 53 1HE LYS 53 21.626 -1.981 -3.196 441 1HZ LYS 53 1HZ LYS 53 23.501 -2.828 -4.825 442 2HZ LYS 53 2HZ LYS 53 22.347 -4.032 -5.157 443 3HZ LYS 53 3HZ LYS 53 22.913 -3.806 -3.570 444 H GLU 54 H GLU 54 15.667 -4.417 -5.582 445 HA GLU 54 HA GLU 54 14.023 -5.045 -3.260 446 1HB GLU 54 2HB GLU 54 12.606 -5.969 -4.847 447 2HB GLU 54 1HB GLU 54 13.550 -4.908 -5.884 448 1HG GLU 54 2HG GLU 54 15.059 -6.832 -6.410 449 2HG GLU 54 1HG GLU 54 13.999 -7.876 -5.463 450 H GLN 55 H GLN 55 14.981 -6.282 -1.686 451 HA GLN 55 HA GLN 55 16.158 -8.900 -2.498 452 1HB GLN 55 2HB GLN 55 18.059 -8.445 -1.054 453 2HB GLN 55 1HB GLN 55 17.876 -7.090 -2.166 454 1HG GLN 55 2HG GLN 55 17.891 -5.773 -0.335 455 2HG GLN 55 1HG GLN 55 16.260 -6.372 -0.030 456 1HE2 GLN 55 1HE2 GLN 55 15.983 -7.998 1.639 457 2HE2 GLN 55 2HE2 GLN 55 17.239 -8.420 2.698 458 H ARG 56 HN ARG 56 13.646 -7.705 -1.103 459 HA ARG 56 HA ARG 56 13.730 -9.522 1.281 460 1HB ARG 56 2HB ARG 56 13.952 -6.917 1.552 461 2HB ARG 56 1HB ARG 56 12.224 -6.922 1.214 462 1HG ARG 56 2HG ARG 56 12.819 -8.989 3.131 463 2HG ARG 56 1HG ARG 56 13.509 -7.468 3.691 464 1HD ARG 56 2HD ARG 56 10.614 -8.121 3.120 465 2HD ARG 56 1HD ARG 56 11.320 -7.369 4.558 466 HE ARG 56 HE ARG 56 11.765 -5.344 3.162 467 1HH1 ARG 56 1HH1 ARG 56 10.194 -7.801 1.384 468 2HH1 ARG 56 2HH1 ARG 56 9.122 -6.725 0.558 469 1HH2 ARG 56 1HH2 ARG 56 10.121 -3.923 2.334 470 2HH2 ARG 56 2HH2 ARG 56 9.077 -4.535 1.096 Start of MODEL 13 1 1H MET 1 1H MET 1 -9.055 8.662 -3.779 2 2H MET 1 2H MET 1 -10.127 7.981 -2.650 3 3H MET 1 3H MET 1 -9.666 7.101 -4.028 4 HA MET 1 HA MET 1 -7.611 7.990 -2.114 5 1HB MET 1 2HB MET 1 -9.722 6.784 -1.096 6 2HB MET 1 1HB MET 1 -9.049 5.345 -1.878 7 1HG MET 1 2HG MET 1 -7.328 5.205 -0.420 8 2HG MET 1 1HG MET 1 -7.062 6.944 -0.408 9 1HE MET 1 1HE MET 1 -7.644 5.519 3.284 10 2HE MET 1 2HE MET 1 -6.434 5.947 2.079 11 3HE MET 1 3HE MET 1 -7.307 4.424 1.935 12 H LYS 2 H LYS 2 -6.200 7.908 -4.046 13 HA LYS 2 HA LYS 2 -6.057 5.839 -5.933 14 1HB LYS 2 2HB LYS 2 -4.086 7.687 -4.624 15 2HB LYS 2 1HB LYS 2 -3.474 6.425 -5.694 16 1HG LYS 2 2HG LYS 2 -4.899 7.220 -7.507 17 2HG LYS 2 1HG LYS 2 -5.608 8.438 -6.446 18 1HD LYS 2 2HD LYS 2 -3.987 9.770 -7.359 19 2HD LYS 2 1HD LYS 2 -2.980 9.012 -6.124 20 1HE LYS 2 2HE LYS 2 -2.640 7.143 -7.962 21 2HE LYS 2 1HE LYS 2 -3.087 8.454 -9.072 22 1HZ LYS 2 1HZ LYS 2 -1.287 9.233 -6.950 23 2HZ LYS 2 2HZ LYS 2 -1.231 9.600 -8.608 24 3HZ LYS 2 3HZ LYS 2 -0.619 8.120 -8.041 25 H VAL 3 H VAL 3 -4.771 3.745 -5.883 26 HA VAL 3 HA VAL 3 -4.200 2.902 -3.094 27 HB VAL 3 HB VAL 3 -6.022 1.992 -5.249 28 1HG1 VAL 3 1HG1 VAL 3 -4.628 0.037 -4.753 29 2HG1 VAL 3 2HG1 VAL 3 -6.289 -0.187 -4.200 30 3HG1 VAL 3 3HG1 VAL 3 -5.015 0.196 -3.042 31 1HG2 VAL 3 1HG2 VAL 3 -6.179 3.289 -2.815 32 2HG2 VAL 3 2HG2 VAL 3 -6.734 1.654 -2.461 33 3HG2 VAL 3 3HG2 VAL 3 -7.520 2.605 -3.721 34 H ILE 4 H ILE 4 -2.401 1.781 -2.773 35 HA ILE 4 HA ILE 4 -0.750 0.759 -5.033 36 HB ILE 4 HB ILE 4 -0.468 1.749 -2.225 37 1HG1 ILE 4 2HG1 ILE 4 0.375 2.606 -4.722 38 2HG1 ILE 4 1HG1 ILE 4 1.001 3.191 -3.190 39 1HG2 ILE 4 1HG2 ILE 4 0.943 -0.646 -3.223 40 2HG2 ILE 4 2HG2 ILE 4 0.441 -0.203 -1.591 41 3HG2 ILE 4 3HG2 ILE 4 1.877 0.527 -2.292 42 1HD1 ILE 4 1HD1 ILE 4 2.172 0.983 -4.908 43 2HD1 ILE 4 2HD1 ILE 4 2.726 1.340 -3.274 44 3HD1 ILE 4 3HD1 ILE 4 2.900 2.546 -4.542 45 H PHE 5 H PHE 5 -2.059 -1.244 -5.403 46 HA PHE 5 HA PHE 5 -2.769 -2.991 -3.176 47 1HB PHE 5 2HB PHE 5 -2.488 -3.249 -6.137 48 2HB PHE 5 1HB PHE 5 -2.626 -4.701 -5.167 49 HD1 PHE 5 HD1 PHE 5 -4.691 -5.391 -4.223 50 HD2 PHE 5 HD2 PHE 5 -4.374 -1.533 -6.094 51 HE1 PHE 5 HE1 PHE 5 -7.152 -5.193 -4.232 52 HE2 PHE 5 HE2 PHE 5 -6.841 -1.340 -6.090 53 HZ PHE 5 HZ PHE 5 -8.219 -3.181 -5.191 54 H LEU 6 H LEU 6 -1.205 -4.172 -1.997 55 HA LEU 6 HA LEU 6 1.542 -4.289 -2.962 56 1HB LEU 6 2HB LEU 6 0.259 -5.866 -0.721 57 2HB LEU 6 1HB LEU 6 1.944 -5.387 -0.865 58 HG LEU 6 HG LEU 6 1.271 -3.790 0.587 59 1HD1 LEU 6 1HD1 LEU 6 0.098 -1.812 -0.852 60 2HD1 LEU 6 2HD1 LEU 6 0.883 -2.735 -2.124 61 3HD1 LEU 6 3HD1 LEU 6 1.831 -2.103 -0.788 62 1HD2 LEU 6 1HD2 LEU 6 -1.275 -2.874 0.029 63 2HD2 LEU 6 2HD2 LEU 6 -0.821 -3.992 1.310 64 3HD2 LEU 6 3HD2 LEU 6 -1.361 -4.611 -0.245 65 H LYS 7 H LYS 7 -1.296 -6.321 -2.946 66 HA LYS 7 HA LYS 7 0.264 -8.502 -4.299 67 1HB LYS 7 2HB LYS 7 -1.976 -8.413 -2.314 68 2HB LYS 7 1HB LYS 7 -1.984 -9.727 -3.490 69 1HG LYS 7 2HG LYS 7 0.030 -10.611 -2.721 70 2HG LYS 7 1HG LYS 7 0.534 -9.085 -1.991 71 1HD LYS 7 2HD LYS 7 -1.092 -9.313 -0.215 72 2HD LYS 7 1HD LYS 7 -1.826 -10.710 -1.004 73 1HE LYS 7 2HE LYS 7 0.394 -11.909 -0.762 74 2HE LYS 7 1HE LYS 7 0.933 -10.553 0.251 75 1HZ LYS 7 1HZ LYS 7 -0.047 -12.152 1.696 76 2HZ LYS 7 2HZ LYS 7 -1.412 -12.320 0.703 77 3HZ LYS 7 3HZ LYS 7 -1.154 -10.875 1.559 78 H ASP 8 H ASP 8 -1.722 -9.872 -5.479 79 HA ASP 8 HA ASP 8 -2.916 -7.865 -7.352 80 1HB ASP 8 2HB ASP 8 -2.785 -9.620 -8.995 81 2HB ASP 8 1HB ASP 8 -1.258 -9.664 -8.113 82 H VAL 9 H VAL 9 -5.197 -8.256 -7.993 83 HA VAL 9 HA VAL 9 -6.706 -9.757 -5.884 84 HB VAL 9 HB VAL 9 -7.942 -7.815 -7.820 85 1HG1 VAL 9 1HG1 VAL 9 -9.650 -7.934 -6.351 86 2HG1 VAL 9 2HG1 VAL 9 -8.582 -7.585 -4.994 87 3HG1 VAL 9 3HG1 VAL 9 -8.778 -9.244 -5.556 88 1HG2 VAL 9 1HG2 VAL 9 -7.354 -6.021 -6.082 89 2HG2 VAL 9 2HG2 VAL 9 -6.050 -6.526 -7.154 90 3HG2 VAL 9 3HG2 VAL 9 -6.122 -7.140 -5.502 91 H LYS 10 H LYS 10 -9.148 -9.891 -7.400 92 HA LYS 10 HA LYS 10 -8.820 -12.356 -8.794 93 1HB LYS 10 2HB LYS 10 -10.874 -11.112 -7.725 94 2HB LYS 10 1HB LYS 10 -11.045 -10.402 -9.331 95 1HG LYS 10 2HG LYS 10 -10.587 -13.181 -9.702 96 2HG LYS 10 1HG LYS 10 -11.818 -13.023 -8.449 97 1HD LYS 10 2HD LYS 10 -12.537 -11.106 -10.339 98 2HD LYS 10 1HD LYS 10 -12.018 -12.486 -11.307 99 1HE LYS 10 2HE LYS 10 -14.383 -12.773 -10.841 100 2HE LYS 10 1HE LYS 10 -13.507 -13.936 -9.824 101 1HZ LYS 10 1HZ LYS 10 -14.870 -11.471 -9.066 102 2HZ LYS 10 2HZ LYS 10 -13.410 -11.809 -8.265 103 3HZ LYS 10 3HZ LYS 10 -14.696 -12.919 -8.202 104 H GLY 11 H GLY 11 -6.925 -11.620 -10.188 105 1HA GLY 11 2HA GLY 11 -6.041 -10.942 -12.252 106 2HA GLY 11 1HA GLY 11 -7.637 -11.330 -12.897 107 H LYS 12 H LYS 12 -6.789 -8.819 -10.522 108 HA LYS 12 HA LYS 12 -7.610 -6.761 -12.543 109 1HB LYS 12 2HB LYS 12 -8.822 -7.571 -10.021 110 2HB LYS 12 1HB LYS 12 -8.409 -5.855 -10.015 111 1HG LYS 12 2HG LYS 12 -9.542 -5.671 -12.271 112 2HG LYS 12 1HG LYS 12 -10.124 -7.320 -12.036 113 1HD LYS 12 2HD LYS 12 -11.780 -6.602 -10.695 114 2HD LYS 12 1HD LYS 12 -10.631 -5.742 -9.669 115 1HE LYS 12 2HE LYS 12 -12.299 -4.190 -10.692 116 2HE LYS 12 1HE LYS 12 -10.652 -3.829 -11.243 117 1HZ LYS 12 1HZ LYS 12 -10.991 -4.958 -13.245 118 2HZ LYS 12 2HZ LYS 12 -12.431 -4.084 -13.030 119 3HZ LYS 12 3HZ LYS 12 -12.384 -5.746 -12.686 120 H GLY 13 H GLY 13 -6.773 -6.295 -9.134 121 1HA GLY 13 2HA GLY 13 -4.783 -4.308 -9.825 122 2HA GLY 13 1HA GLY 13 -5.103 -4.913 -8.196 123 H LYS 14 H LYS 14 -2.482 -4.495 -9.160 124 HA LYS 14 HA LYS 14 -1.471 -7.307 -9.262 125 1HB LYS 14 2HB LYS 14 -0.339 -4.877 -10.688 126 2HB LYS 14 1HB LYS 14 0.205 -6.547 -10.860 127 1HG LYS 14 2HG LYS 14 -2.435 -6.843 -11.429 128 2HG LYS 14 1HG LYS 14 -2.169 -5.205 -12.025 129 1HD LYS 14 2HD LYS 14 -1.050 -5.972 -13.822 130 2HD LYS 14 1HD LYS 14 0.021 -6.936 -12.804 131 1HE LYS 14 2HE LYS 14 -2.466 -8.271 -12.734 132 2HE LYS 14 1HE LYS 14 -2.202 -7.832 -14.432 133 1HZ LYS 14 1HZ LYS 14 0.021 -8.890 -12.815 134 2HZ LYS 14 2HZ LYS 14 -0.186 -8.921 -14.500 135 3HZ LYS 14 3HZ LYS 14 -1.093 -9.960 -13.511 136 H LYS 15 H LYS 15 0.959 -7.266 -8.638 137 HA LYS 15 HA LYS 15 1.375 -6.593 -6.014 138 1HB LYS 15 2HB LYS 15 3.731 -6.820 -6.538 139 2HB LYS 15 1HB LYS 15 2.841 -7.880 -7.631 140 1HG LYS 15 2HG LYS 15 3.649 -5.055 -8.362 141 2HG LYS 15 1HG LYS 15 4.630 -6.468 -8.745 142 1HD LYS 15 2HD LYS 15 2.441 -7.409 -9.805 143 2HD LYS 15 1HD LYS 15 1.900 -5.727 -9.795 144 1HE LYS 15 2HE LYS 15 4.511 -5.592 -10.808 145 2HE LYS 15 1HE LYS 15 3.814 -7.029 -11.580 146 1HZ LYS 15 1HZ LYS 15 3.011 -4.245 -11.795 147 2HZ LYS 15 2HZ LYS 15 1.740 -5.361 -11.646 148 3HZ LYS 15 3HZ LYS 15 2.858 -5.506 -12.917 149 H GLY 16 H GLY 16 1.989 -4.778 -4.849 150 1HA GLY 16 2HA GLY 16 1.640 -2.413 -4.482 151 2HA GLY 16 1HA GLY 16 3.242 -2.458 -5.181 152 H GLU 17 H GLU 17 0.024 -2.889 -6.744 153 HA GLU 17 HA GLU 17 0.860 -1.055 -8.884 154 1HB GLU 17 2HB GLU 17 -0.848 -2.055 -10.029 155 2HB GLU 17 1HB GLU 17 -0.823 -3.221 -8.710 156 1HG GLU 17 2HG GLU 17 -2.649 -2.133 -7.598 157 2HG GLU 17 1HG GLU 17 -2.532 -0.717 -8.638 158 H ILE 18 H ILE 18 0.498 1.132 -8.835 159 HA ILE 18 HA ILE 18 -1.296 2.188 -6.657 160 HB ILE 18 HB ILE 18 0.720 3.662 -8.374 161 1HG1 ILE 18 2HG1 ILE 18 1.828 3.236 -5.853 162 2HG1 ILE 18 1HG1 ILE 18 1.212 1.659 -6.353 163 1HG2 ILE 18 1HG2 ILE 18 0.546 5.372 -6.800 164 2HG2 ILE 18 2HG2 ILE 18 -0.042 4.285 -5.543 165 3HG2 ILE 18 3HG2 ILE 18 -1.106 4.763 -6.866 166 1HD1 ILE 18 1HD1 ILE 18 2.346 2.386 -8.663 167 2HD1 ILE 18 2HD1 ILE 18 3.276 1.597 -7.391 168 3HD1 ILE 18 3HD1 ILE 18 3.349 3.348 -7.579 169 H LYS 19 H LYS 19 -3.177 2.883 -7.317 170 HA LYS 19 HA LYS 19 -3.546 4.656 -9.599 171 1HB LYS 19 2HB LYS 19 -3.566 2.195 -10.445 172 2HB LYS 19 1HB LYS 19 -5.081 2.038 -9.551 173 1HG LYS 19 2HG LYS 19 -6.242 3.330 -11.031 174 2HG LYS 19 1HG LYS 19 -4.885 4.426 -11.290 175 1HD LYS 19 2HD LYS 19 -3.794 2.437 -12.552 176 2HD LYS 19 1HD LYS 19 -5.425 1.764 -12.596 177 1HE LYS 19 2HE LYS 19 -6.263 3.755 -13.746 178 2HE LYS 19 1HE LYS 19 -4.670 4.525 -13.623 179 1HZ LYS 19 1HZ LYS 19 -5.338 3.110 -15.726 180 2HZ LYS 19 2HZ LYS 19 -4.806 1.827 -14.747 181 3HZ LYS 19 3HZ LYS 19 -3.752 3.104 -15.125 182 H ASN 20 H ASN 20 -6.443 3.269 -9.164 183 HA ASN 20 HA ASN 20 -6.994 4.092 -6.415 184 1HB ASN 20 2HB ASN 20 -8.663 5.763 -6.971 185 2HB ASN 20 1HB ASN 20 -7.148 6.220 -7.781 186 1HD2 ASN 20 1HD2 ASN 20 -6.986 5.788 -10.139 187 2HD2 ASN 20 2HD2 ASN 20 -8.390 5.594 -11.070 188 H VAL 21 H VAL 21 -8.193 2.576 -5.685 189 HA VAL 21 HA VAL 21 -9.743 0.823 -7.487 190 HB VAL 21 HB VAL 21 -8.232 0.313 -5.402 191 1HG1 VAL 21 1HG1 VAL 21 -9.882 2.086 -4.177 192 2HG1 VAL 21 2HG1 VAL 21 -8.860 0.913 -3.349 193 3HG1 VAL 21 3HG1 VAL 21 -10.554 0.537 -3.669 194 1HG2 VAL 21 1HG2 VAL 21 -9.267 -1.564 -6.157 195 2HG2 VAL 21 2HG2 VAL 21 -10.877 -0.855 -6.000 196 3HG2 VAL 21 3HG2 VAL 21 -10.003 -1.391 -4.566 197 H ALA 22 H ALA 22 -11.714 0.643 -5.127 198 HA ALA 22 HA ALA 22 -13.363 2.952 -5.973 199 1HB ALA 22 1HB ALA 22 -15.000 1.640 -5.087 200 2HB ALA 22 2HB ALA 22 -14.209 1.678 -3.521 201 3HB ALA 22 3HB ALA 22 -13.768 0.444 -4.696 202 H ASP 23 H ASP 23 -12.569 4.906 -5.218 203 HA ASP 23 HA ASP 23 -10.611 5.565 -3.563 204 1HB ASP 23 2HB ASP 23 -13.406 6.684 -3.842 205 2HB ASP 23 1HB ASP 23 -12.193 7.503 -2.882 206 H GLY 24 H GLY 24 -13.735 4.281 -2.391 207 1HA GLY 24 2HA GLY 24 -12.789 4.614 0.412 208 2HA GLY 24 1HA GLY 24 -14.424 4.141 -0.063 209 H TYR 25 H TYR 25 -13.642 2.151 -1.961 210 HA TYR 25 HA TYR 25 -13.467 -0.269 -0.523 211 1HB TYR 25 2HB TYR 25 -13.978 -0.149 -2.876 212 2HB TYR 25 1HB TYR 25 -12.516 0.761 -3.194 213 HD1 TYR 25 HD1 TYR 25 -12.862 -1.156 -5.063 214 HD2 TYR 25 HD2 TYR 25 -11.385 -1.808 -1.093 215 HE1 TYR 25 HE1 TYR 25 -11.746 -3.229 -5.817 216 HE2 TYR 25 HE2 TYR 25 -10.305 -3.862 -1.856 217 HH TYR 25 HH TYR 25 -10.327 -4.843 -5.260 218 H ALA 26 H ALA 26 -10.966 1.556 -2.168 219 HA ALA 26 HA ALA 26 -8.552 0.430 -1.549 220 1HB ALA 26 1HB ALA 26 -9.408 3.311 -1.008 221 2HB ALA 26 2HB ALA 26 -8.931 2.662 -2.572 222 3HB ALA 26 3HB ALA 26 -7.747 2.787 -1.273 223 H ASN 27 H ASN 27 -9.942 2.758 0.823 224 HA ASN 27 HA ASN 27 -8.332 1.576 2.965 225 1HB ASN 27 2HB ASN 27 -8.378 3.771 3.456 226 2HB ASN 27 1HB ASN 27 -9.707 4.046 2.338 227 1HD2 ASN 27 1HD2 ASN 27 -11.688 4.511 3.202 228 2HD2 ASN 27 2HD2 ASN 27 -12.084 4.350 4.831 229 H ASN 28 H ASN 28 -11.072 0.332 1.731 230 HA ASN 28 HA ASN 28 -12.137 -0.326 4.466 231 1HB ASN 28 2HB ASN 28 -13.376 0.690 2.016 232 2HB ASN 28 1HB ASN 28 -14.206 -0.726 2.663 233 1HD2 ASN 28 1HD2 ASN 28 -14.074 2.630 2.936 234 2HD2 ASN 28 2HD2 ASN 28 -14.733 2.790 4.493 235 H PHE 29 H PHE 29 -10.306 -1.635 2.170 236 HA PHE 29 HA PHE 29 -11.143 -4.382 2.813 237 1HB PHE 29 2HB PHE 29 -12.704 -3.889 1.032 238 2HB PHE 29 1HB PHE 29 -11.477 -3.058 0.120 239 HD1 PHE 29 HD1 PHE 29 -12.519 -4.582 -1.690 240 HD2 PHE 29 HD2 PHE 29 -10.110 -6.057 1.526 241 HE1 PHE 29 HE1 PHE 29 -11.935 -6.565 -3.037 242 HE2 PHE 29 HE2 PHE 29 -9.503 -8.021 0.184 243 HZ PHE 29 HZ PHE 29 -10.434 -8.308 -2.097 244 H LEU 30 H LEU 30 -9.209 -2.461 0.508 245 HA LEU 30 HA LEU 30 -7.118 -4.495 0.347 246 1HB LEU 30 2HB LEU 30 -6.990 -1.616 -0.588 247 2HB LEU 30 1HB LEU 30 -6.184 -3.023 -1.288 248 HG LEU 30 HG LEU 30 -9.134 -2.824 -1.079 249 1HD1 LEU 30 1HD1 LEU 30 -8.970 -1.082 -2.542 250 2HD1 LEU 30 2HD1 LEU 30 -8.761 -2.390 -3.700 251 3HD1 LEU 30 3HD1 LEU 30 -7.350 -1.549 -3.066 252 1HD2 LEU 30 1HD2 LEU 30 -8.836 -5.001 -1.712 253 2HD2 LEU 30 2HD2 LEU 30 -7.197 -4.699 -2.287 254 3HD2 LEU 30 3HD2 LEU 30 -8.574 -4.306 -3.310 255 H PHE 31 H PHE 31 -7.610 -1.455 1.869 256 HA PHE 31 HA PHE 31 -4.914 -1.326 3.002 257 1HB PHE 31 2HB PHE 31 -7.524 0.110 3.348 258 2HB PHE 31 1HB PHE 31 -5.997 0.676 3.986 259 HD1 PHE 31 HD1 PHE 31 -5.284 -0.965 0.886 260 HD2 PHE 31 HD2 PHE 31 -6.955 2.662 2.483 261 HE1 PHE 31 HE1 PHE 31 -4.749 0.265 -1.209 262 HE2 PHE 31 HE2 PHE 31 -6.423 3.846 0.391 263 HZ PHE 31 HZ PHE 31 -5.309 2.644 -1.436 264 H LYS 32 H LYS 32 -8.191 -1.348 4.421 265 HA LYS 32 HA LYS 32 -7.578 -1.796 7.098 266 1HB LYS 32 2HB LYS 32 -9.860 -2.698 5.328 267 2HB LYS 32 1HB LYS 32 -9.895 -2.901 7.080 268 1HG LYS 32 2HG LYS 32 -9.096 -0.205 6.206 269 2HG LYS 32 1HG LYS 32 -10.742 -0.646 5.752 270 1HD LYS 32 2HD LYS 32 -10.640 -1.559 8.328 271 2HD LYS 32 1HD LYS 32 -9.598 -0.140 8.424 272 1HE LYS 32 2HE LYS 32 -11.473 1.130 8.534 273 2HE LYS 32 1HE LYS 32 -11.828 0.646 6.864 274 1HZ LYS 32 1HZ LYS 32 -13.486 0.032 8.747 275 2HZ LYS 32 2HZ LYS 32 -12.384 -1.219 9.068 276 3HZ LYS 32 3HZ LYS 32 -13.125 -1.107 7.544 277 H GLN 33 H GLN 33 -7.317 -4.154 4.481 278 HA GLN 33 HA GLN 33 -6.932 -6.273 6.544 279 1HB GLN 33 2HB GLN 33 -8.717 -6.915 5.200 280 2HB GLN 33 1HB GLN 33 -8.060 -6.118 3.776 281 1HG GLN 33 2HG GLN 33 -7.102 -8.005 3.107 282 2HG GLN 33 1HG GLN 33 -6.246 -8.154 4.638 283 1HE2 GLN 33 1HE2 GLN 33 -7.585 -10.350 3.068 284 2HE2 GLN 33 2HE2 GLN 33 -8.733 -11.021 4.123 285 H GLY 34 H GLY 34 -5.870 -6.478 3.154 286 1HA GLY 34 2HA GLY 34 -3.141 -5.728 3.649 287 2HA GLY 34 1HA GLY 34 -3.317 -7.470 3.827 288 H LEU 35 H LEU 35 -5.039 -5.398 1.486 289 HA LEU 35 HA LEU 35 -3.787 -7.043 -0.684 290 1HB LEU 35 2HB LEU 35 -6.181 -5.196 -0.825 291 2HB LEU 35 1HB LEU 35 -5.693 -6.372 -2.024 292 HG LEU 35 HG LEU 35 -5.966 -8.015 0.087 293 1HD1 LEU 35 1HD1 LEU 35 -8.183 -6.004 0.475 294 2HD1 LEU 35 2HD1 LEU 35 -6.733 -5.995 1.471 295 3HD1 LEU 35 3HD1 LEU 35 -7.801 -7.395 1.484 296 1HD2 LEU 35 1HD2 LEU 35 -8.092 -8.633 -0.903 297 2HD2 LEU 35 2HD2 LEU 35 -7.035 -8.078 -2.202 298 3HD2 LEU 35 3HD2 LEU 35 -8.294 -7.014 -1.575 299 H ALA 36 H ALA 36 -4.692 -3.729 0.216 300 HA ALA 36 HA ALA 36 -2.408 -2.695 -1.433 301 1HB ALA 36 1HB ALA 36 -4.709 -2.654 -2.563 302 2HB ALA 36 2HB ALA 36 -3.861 -1.110 -2.475 303 3HB ALA 36 3HB ALA 36 -5.164 -1.466 -1.343 304 H ILE 37 H ILE 37 -2.411 -0.165 -1.093 305 HA ILE 37 HA ILE 37 -3.034 0.610 1.712 306 HB ILE 37 HB ILE 37 -0.359 0.289 0.396 307 1HG1 ILE 37 2HG1 ILE 37 -1.090 0.223 3.322 308 2HG1 ILE 37 1HG1 ILE 37 -1.400 -1.149 2.256 309 1HG2 ILE 37 1HG2 ILE 37 0.090 2.506 0.782 310 2HG2 ILE 37 2HG2 ILE 37 0.319 1.937 2.436 311 3HG2 ILE 37 3HG2 ILE 37 -1.215 2.668 1.960 312 1HD1 ILE 37 1HD1 ILE 37 0.938 -1.380 1.733 313 2HD1 ILE 37 2HD1 ILE 37 0.830 -1.220 3.489 314 3HD1 ILE 37 3HD1 ILE 37 1.320 0.161 2.505 315 H GLU 38 H GLU 38 -3.741 2.754 1.755 316 HA GLU 38 HA GLU 38 -4.614 4.224 -0.411 317 1HB GLU 38 2HB GLU 38 -4.938 4.863 1.933 318 2HB GLU 38 1HB GLU 38 -3.222 5.248 2.083 319 1HG GLU 38 2HG GLU 38 -3.885 6.738 -0.104 320 2HG GLU 38 1HG GLU 38 -5.393 6.803 0.808 321 H ALA 39 H ALA 39 -3.519 4.692 -2.293 322 HA ALA 39 HA ALA 39 -0.730 4.657 -2.670 323 1HB ALA 39 1HB ALA 39 -2.593 4.961 -4.390 324 2HB ALA 39 2HB ALA 39 -1.155 5.944 -4.665 325 3HB ALA 39 3HB ALA 39 -2.595 6.671 -3.957 326 H THR 40 H THR 40 0.568 5.629 -1.148 327 HA THR 40 HA THR 40 0.172 8.556 -0.633 328 HB THR 40 HB THR 40 0.113 7.629 1.482 329 HG1 THR 40 HG1 THR 40 2.062 7.943 2.417 330 1HG2 THR 40 1HG2 THR 40 0.193 5.324 1.194 331 2HG2 THR 40 2HG2 THR 40 1.743 5.596 1.986 332 3HG2 THR 40 3HG2 THR 40 1.671 5.395 0.240 333 HA PRO 41 HA PRO 41 3.805 9.518 -2.838 334 1HB PRO 41 2HB PRO 41 5.111 11.186 -1.096 335 2HB PRO 41 1HB PRO 41 3.723 11.702 -2.073 336 1HG PRO 41 2HG PRO 41 3.815 10.881 0.789 337 2HG PRO 41 1HG PRO 41 2.900 12.185 0.019 338 1HD PRO 41 2HD PRO 41 1.773 9.820 0.706 339 2HD PRO 41 1HD PRO 41 1.219 10.781 -0.677 340 H ALA 42 H ALA 42 4.569 9.221 0.649 341 HA ALA 42 HA ALA 42 7.111 8.252 0.681 342 1HB ALA 42 1HB ALA 42 4.966 8.346 2.386 343 2HB ALA 42 2HB ALA 42 6.539 7.670 2.802 344 3HB ALA 42 3HB ALA 42 5.239 6.610 2.258 345 H ASN 43 H ASN 43 4.267 6.070 0.181 346 HA ASN 43 HA ASN 43 5.988 3.802 -0.450 347 1HB ASN 43 2HB ASN 43 3.185 4.424 0.002 348 2HB ASN 43 1HB ASN 43 3.381 3.290 -1.333 349 1HD2 ASN 43 1HD2 ASN 43 2.215 2.068 0.727 350 2HD2 ASN 43 2HD2 ASN 43 3.310 1.148 1.657 351 H LEU 44 H LEU 44 3.886 5.934 -2.425 352 HA LEU 44 HA LEU 44 4.159 4.634 -4.896 353 1HB LEU 44 2HB LEU 44 3.719 7.439 -3.944 354 2HB LEU 44 1HB LEU 44 4.017 7.195 -5.664 355 HG LEU 44 HG LEU 44 2.113 5.818 -5.923 356 1HD1 LEU 44 1HD1 LEU 44 0.823 4.941 -3.995 357 2HD1 LEU 44 2HD1 LEU 44 2.002 5.657 -2.899 358 3HD1 LEU 44 3HD1 LEU 44 2.490 4.362 -3.991 359 1HD2 LEU 44 1HD2 LEU 44 0.768 7.614 -5.769 360 2HD2 LEU 44 2HD2 LEU 44 1.833 8.343 -4.568 361 3HD2 LEU 44 3HD2 LEU 44 0.537 7.261 -4.057 362 H LYS 45 H LYS 45 6.409 6.946 -3.369 363 HA LYS 45 HA LYS 45 8.223 6.889 -5.668 364 1HB LYS 45 2HB LYS 45 7.752 8.627 -3.654 365 2HB LYS 45 1HB LYS 45 9.110 7.746 -2.954 366 1HG LYS 45 2HG LYS 45 9.995 9.630 -4.204 367 2HG LYS 45 1HG LYS 45 10.392 8.152 -5.079 368 1HD LYS 45 2HD LYS 45 8.372 8.509 -6.514 369 2HD LYS 45 1HD LYS 45 8.101 10.045 -5.690 370 1HE LYS 45 2HE LYS 45 10.246 10.907 -6.476 371 2HE LYS 45 1HE LYS 45 10.647 9.335 -7.193 372 1HZ LYS 45 1HZ LYS 45 9.522 9.945 -8.994 373 2HZ LYS 45 2HZ LYS 45 9.035 11.398 -8.264 374 3HZ LYS 45 3HZ LYS 45 8.098 9.993 -8.078 375 H ALA 46 H ALA 46 8.050 5.376 -2.456 376 HA ALA 46 HA ALA 46 10.578 4.057 -2.463 377 1HB ALA 46 1HB ALA 46 9.690 2.968 -0.605 378 2HB ALA 46 2HB ALA 46 8.100 2.793 -1.347 379 3HB ALA 46 3HB ALA 46 8.607 4.357 -0.708 380 H LEU 47 H LEU 47 7.433 3.175 -3.853 381 HA LEU 47 HA LEU 47 8.000 0.487 -4.607 382 1HB LEU 47 2HB LEU 47 6.183 2.715 -5.368 383 2HB LEU 47 1HB LEU 47 6.360 1.444 -6.571 384 HG LEU 47 HG LEU 47 4.537 1.332 -4.589 385 1HD1 LEU 47 1HD1 LEU 47 4.731 -1.219 -4.857 386 2HD1 LEU 47 2HD1 LEU 47 6.098 -0.877 -5.917 387 3HD1 LEU 47 3HD1 LEU 47 4.494 -0.264 -6.320 388 1HD2 LEU 47 1HD2 LEU 47 6.556 1.275 -2.935 389 2HD2 LEU 47 2HD2 LEU 47 6.732 -0.401 -3.457 390 3HD2 LEU 47 3HD2 LEU 47 5.236 0.133 -2.690 391 H GLU 48 H GLU 48 8.936 3.571 -6.036 392 HA GLU 48 HA GLU 48 9.925 2.378 -8.527 393 1HB GLU 48 2HB GLU 48 9.088 4.597 -8.653 394 2HB GLU 48 1HB GLU 48 9.962 5.096 -7.204 395 1HG GLU 48 2HG GLU 48 10.985 5.925 -9.352 396 2HG GLU 48 1HG GLU 48 12.082 4.967 -8.358 397 H ALA 49 H ALA 49 11.420 3.865 -5.624 398 HA ALA 49 HA ALA 49 14.134 3.591 -6.286 399 1HB ALA 49 1HB ALA 49 14.476 3.708 -3.897 400 2HB ALA 49 2HB ALA 49 12.878 3.029 -3.584 401 3HB ALA 49 3HB ALA 49 13.030 4.651 -4.260 402 H GLN 50 H GLN 50 11.939 1.159 -4.880 403 HA GLN 50 HA GLN 50 13.805 -0.921 -4.406 404 1HB GLN 50 2HB GLN 50 10.951 -0.486 -4.582 405 2HB GLN 50 1HB GLN 50 11.364 -2.032 -5.322 406 1HG GLN 50 2HG GLN 50 12.494 -1.256 -2.637 407 2HG GLN 50 1HG GLN 50 10.899 -1.994 -2.771 408 1HE2 GLN 50 1HE2 GLN 50 11.688 -3.968 -1.701 409 2HE2 GLN 50 2HE2 GLN 50 12.680 -5.067 -2.532 410 H LYS 51 H LYS 51 12.331 0.198 -7.403 411 HA LYS 51 HA LYS 51 13.267 -2.151 -8.934 412 1HB LYS 51 2HB LYS 51 11.372 0.046 -9.167 413 2HB LYS 51 1HB LYS 51 12.318 -0.143 -10.643 414 1HG LYS 51 2HG LYS 51 10.818 -2.366 -9.230 415 2HG LYS 51 1HG LYS 51 10.282 -1.545 -10.695 416 1HD LYS 51 2HD LYS 51 11.796 -2.628 -12.022 417 2HD LYS 51 1HD LYS 51 13.034 -2.653 -10.765 418 1HE LYS 51 2HE LYS 51 10.559 -4.336 -10.434 419 2HE LYS 51 1HE LYS 51 11.899 -4.917 -11.441 420 1HZ LYS 51 1HZ LYS 51 13.385 -4.247 -9.536 421 2HZ LYS 51 2HZ LYS 51 12.405 -5.608 -9.261 422 3HZ LYS 51 3HZ LYS 51 11.985 -4.106 -8.592 423 H GLN 52 H GLN 52 13.907 1.380 -8.859 424 HA GLN 52 HA GLN 52 16.060 1.169 -10.827 425 1HB GLN 52 2HB GLN 52 14.353 3.115 -9.784 426 2HB GLN 52 1HB GLN 52 15.950 3.593 -9.210 427 1HG GLN 52 2HG GLN 52 16.805 3.370 -11.550 428 2HG GLN 52 1HG GLN 52 15.156 3.041 -12.083 429 1HE2 GLN 52 1HE2 GLN 52 13.760 4.911 -10.419 430 2HE2 GLN 52 2HE2 GLN 52 14.193 6.480 -10.900 431 H LYS 53 H LYS 53 17.600 -0.273 -9.822 432 HA LYS 53 HA LYS 53 18.881 0.663 -7.293 433 1HB LYS 53 2HB LYS 53 18.057 -1.749 -7.850 434 2HB LYS 53 1HB LYS 53 19.495 -1.842 -8.867 435 1HG LYS 53 2HG LYS 53 20.327 -2.658 -6.853 436 2HG LYS 53 1HG LYS 53 20.711 -0.942 -6.707 437 1HD LYS 53 2HD LYS 53 18.895 -0.535 -5.252 438 2HD LYS 53 1HD LYS 53 18.087 -2.039 -5.699 439 1HE LYS 53 2HE LYS 53 20.248 -3.180 -4.718 440 2HE LYS 53 1HE LYS 53 20.441 -1.635 -3.867 441 1HZ LYS 53 1HZ LYS 53 19.037 -2.786 -2.459 442 2HZ LYS 53 2HZ LYS 53 18.215 -3.563 -3.728 443 3HZ LYS 53 3HZ LYS 53 17.928 -1.918 -3.406 444 H GLU 54 H GLU 54 21.271 -1.019 -8.609 445 HA GLU 54 HA GLU 54 22.696 1.354 -9.574 446 1HB GLU 54 2HB GLU 54 23.263 -1.287 -8.580 447 2HB GLU 54 1HB GLU 54 24.095 -1.072 -10.122 448 1HG GLU 54 2HG GLU 54 24.408 1.357 -8.706 449 2HG GLU 54 1HG GLU 54 24.747 0.065 -7.554 450 H GLN 55 H GLN 55 23.232 1.780 -11.759 451 HA GLN 55 HA GLN 55 22.556 -0.190 -13.855 452 1HB GLN 55 2HB GLN 55 20.476 1.160 -13.022 453 2HB GLN 55 1HB GLN 55 21.196 2.502 -13.915 454 1HG GLN 55 2HG GLN 55 21.338 0.242 -15.615 455 2HG GLN 55 1HG GLN 55 19.709 0.255 -14.938 456 1HE2 GLN 55 1HE2 GLN 55 21.815 3.072 -15.663 457 2HE2 GLN 55 2HE2 GLN 55 20.753 3.769 -16.789 458 H ARG 56 HN ARG 56 25.002 0.331 -13.877 459 HA ARG 56 HA ARG 56 25.502 2.355 -15.959 460 1HB ARG 56 2HB ARG 56 25.482 3.244 -13.437 461 2HB ARG 56 1HB ARG 56 27.124 2.600 -13.460 462 1HG ARG 56 2HG ARG 56 27.035 3.943 -15.851 463 2HG ARG 56 1HG ARG 56 26.015 4.963 -14.834 464 1HD ARG 56 2HD ARG 56 28.244 4.254 -13.233 465 2HD ARG 56 1HD ARG 56 28.893 4.736 -14.812 466 HE ARG 56 HE ARG 56 28.267 6.928 -14.222 467 1HH1 ARG 56 1HH1 ARG 56 26.849 4.879 -11.961 468 2HH1 ARG 56 2HH1 ARG 56 25.526 5.932 -11.583 469 1HH2 ARG 56 1HH2 ARG 56 26.247 8.186 -14.113 470 2HH2 ARG 56 2HH2 ARG 56 25.185 7.800 -12.800 Start of MODEL 14 1 1H MET 1 1H MET 1 -9.105 7.517 -4.693 2 2H MET 1 2H MET 1 -9.107 8.796 -3.575 3 3H MET 1 3H MET 1 -10.148 7.473 -3.358 4 HA MET 1 HA MET 1 -7.545 7.785 -2.368 5 1HB MET 1 2HB MET 1 -9.752 6.719 -1.484 6 2HB MET 1 1HB MET 1 -9.263 5.287 -2.402 7 1HG MET 1 2HG MET 1 -8.324 4.844 -0.328 8 2HG MET 1 1HG MET 1 -6.976 5.607 -1.171 9 1HE MET 1 1HE MET 1 -6.152 5.559 1.111 10 2HE MET 1 2HE MET 1 -7.496 5.484 2.248 11 3HE MET 1 3HE MET 1 -6.373 6.842 2.308 12 H LYS 2 H LYS 2 -6.144 7.727 -4.391 13 HA LYS 2 HA LYS 2 -6.065 5.598 -6.220 14 1HB LYS 2 2HB LYS 2 -3.953 7.346 -4.948 15 2HB LYS 2 1HB LYS 2 -3.505 6.119 -6.132 16 1HG LYS 2 2HG LYS 2 -4.396 7.278 -7.864 17 2HG LYS 2 1HG LYS 2 -5.761 7.856 -6.906 18 1HD LYS 2 2HD LYS 2 -4.332 9.495 -5.794 19 2HD LYS 2 1HD LYS 2 -2.923 8.887 -6.664 20 1HE LYS 2 2HE LYS 2 -5.147 9.606 -8.454 21 2HE LYS 2 1HE LYS 2 -4.514 10.981 -7.530 22 1HZ LYS 2 1HZ LYS 2 -2.696 9.027 -8.799 23 2HZ LYS 2 2HZ LYS 2 -2.361 10.613 -8.290 24 3HZ LYS 2 3HZ LYS 2 -3.304 10.343 -9.679 25 H VAL 3 H VAL 3 -4.880 3.449 -6.047 26 HA VAL 3 HA VAL 3 -4.308 2.800 -3.209 27 HB VAL 3 HB VAL 3 -6.132 1.741 -5.298 28 1HG1 VAL 3 1HG1 VAL 3 -4.724 -0.165 -4.663 29 2HG1 VAL 3 2HG1 VAL 3 -6.386 -0.362 -4.099 30 3HG1 VAL 3 3HG1 VAL 3 -5.116 0.110 -2.969 31 1HG2 VAL 3 1HG2 VAL 3 -6.819 1.617 -2.476 32 2HG2 VAL 3 2HG2 VAL 3 -7.638 2.439 -3.801 33 3HG2 VAL 3 3HG2 VAL 3 -6.296 3.225 -2.979 34 H ILE 4 H ILE 4 -2.492 1.714 -2.821 35 HA ILE 4 HA ILE 4 -0.891 0.578 -5.049 36 HB ILE 4 HB ILE 4 -0.534 1.679 -2.286 37 1HG1 ILE 4 2HG1 ILE 4 0.352 2.175 -4.975 38 2HG1 ILE 4 1HG1 ILE 4 0.600 3.177 -3.555 39 1HG2 ILE 4 1HG2 ILE 4 0.321 -0.409 -1.748 40 2HG2 ILE 4 2HG2 ILE 4 1.748 0.487 -2.230 41 3HG2 ILE 4 3HG2 ILE 4 1.005 -0.657 -3.349 42 1HD1 ILE 4 1HD1 ILE 4 2.786 2.689 -4.370 43 2HD1 ILE 4 2HD1 ILE 4 2.392 0.989 -4.625 44 3HD1 ILE 4 3HD1 ILE 4 2.558 1.619 -2.986 45 H PHE 5 H PHE 5 -1.929 -1.514 -5.361 46 HA PHE 5 HA PHE 5 -2.714 -3.128 -3.023 47 1HB PHE 5 2HB PHE 5 -2.482 -3.483 -5.973 48 2HB PHE 5 1HB PHE 5 -2.507 -4.922 -4.977 49 HD1 PHE 5 HD1 PHE 5 -4.521 -5.743 -4.037 50 HD2 PHE 5 HD2 PHE 5 -4.463 -1.848 -5.859 51 HE1 PHE 5 HE1 PHE 5 -6.989 -5.703 -4.018 52 HE2 PHE 5 HE2 PHE 5 -6.934 -1.813 -5.827 53 HZ PHE 5 HZ PHE 5 -8.191 -3.739 -4.925 54 H LEU 6 H LEU 6 -1.153 -4.326 -1.836 55 HA LEU 6 HA LEU 6 1.612 -4.352 -2.743 56 1HB LEU 6 2HB LEU 6 0.374 -6.054 -0.567 57 2HB LEU 6 1HB LEU 6 2.012 -5.422 -0.642 58 HG LEU 6 HG LEU 6 1.212 -3.885 0.796 59 1HD1 LEU 6 1HD1 LEU 6 1.283 -2.805 -1.659 60 2HD1 LEU 6 2HD1 LEU 6 0.910 -1.880 -0.206 61 3HD1 LEU 6 3HD1 LEU 6 -0.394 -2.483 -1.225 62 1HD2 LEU 6 1HD2 LEU 6 -1.600 -3.885 -0.185 63 2HD2 LEU 6 2HD2 LEU 6 -0.991 -3.654 1.446 64 3HD2 LEU 6 3HD2 LEU 6 -1.010 -5.267 0.730 65 H LYS 7 H LYS 7 -1.185 -6.456 -2.784 66 HA LYS 7 HA LYS 7 0.453 -8.607 -4.096 67 1HB LYS 7 2HB LYS 7 -1.875 -8.520 -2.230 68 2HB LYS 7 1HB LYS 7 -1.831 -9.840 -3.399 69 1HG LYS 7 2HG LYS 7 -0.351 -10.907 -2.088 70 2HG LYS 7 1HG LYS 7 0.793 -9.591 -2.354 71 1HD LYS 7 2HD LYS 7 0.431 -9.869 0.044 72 2HD LYS 7 1HD LYS 7 -0.275 -8.338 -0.476 73 1HE LYS 7 2HE LYS 7 -2.502 -9.255 -0.454 74 2HE LYS 7 1HE LYS 7 -1.881 -10.905 -0.240 75 1HZ LYS 7 1HZ LYS 7 -1.128 -10.437 1.888 76 2HZ LYS 7 2HZ LYS 7 -2.614 -9.617 1.840 77 3HZ LYS 7 3HZ LYS 7 -1.159 -8.758 1.651 78 H ASP 8 H ASP 8 -1.344 -10.004 -5.480 79 HA ASP 8 HA ASP 8 -2.497 -8.015 -7.401 80 1HB ASP 8 2HB ASP 8 -2.085 -9.679 -9.067 81 2HB ASP 8 1HB ASP 8 -0.669 -9.720 -8.018 82 H VAL 9 H VAL 9 -4.605 -8.628 -8.395 83 HA VAL 9 HA VAL 9 -6.259 -10.360 -6.586 84 HB VAL 9 HB VAL 9 -7.470 -8.112 -8.147 85 1HG1 VAL 9 1HG1 VAL 9 -8.109 -9.851 -5.931 86 2HG1 VAL 9 2HG1 VAL 9 -9.171 -8.770 -6.833 87 3HG1 VAL 9 3HG1 VAL 9 -8.272 -8.164 -5.443 88 1HG2 VAL 9 1HG2 VAL 9 -5.773 -7.726 -5.654 89 2HG2 VAL 9 2HG2 VAL 9 -6.929 -6.535 -6.252 90 3HG2 VAL 9 3HG2 VAL 9 -5.527 -6.971 -7.228 91 H LYS 10 H LYS 10 -8.519 -10.681 -7.975 92 HA LYS 10 HA LYS 10 -7.832 -12.426 -10.166 93 1HB LYS 10 2HB LYS 10 -10.364 -11.197 -9.062 94 2HB LYS 10 1HB LYS 10 -10.403 -12.269 -10.462 95 1HG LYS 10 2HG LYS 10 -10.290 -14.058 -9.106 96 2HG LYS 10 1HG LYS 10 -8.755 -13.478 -8.459 97 1HD LYS 10 2HD LYS 10 -11.045 -11.982 -7.417 98 2HD LYS 10 1HD LYS 10 -11.128 -13.702 -7.033 99 1HE LYS 10 2HE LYS 10 -8.511 -13.251 -6.478 100 2HE LYS 10 1HE LYS 10 -9.185 -11.656 -6.090 101 1HZ LYS 10 1HZ LYS 10 -9.985 -14.294 -5.012 102 2HZ LYS 10 2HZ LYS 10 -11.014 -12.946 -4.923 103 3HZ LYS 10 3HZ LYS 10 -9.499 -12.913 -4.155 104 H GLY 11 H GLY 11 -6.516 -10.358 -11.092 105 1HA GLY 11 2HA GLY 11 -6.322 -9.089 -13.081 106 2HA GLY 11 1HA GLY 11 -8.001 -9.492 -13.454 107 H LYS 12 H LYS 12 -7.732 -8.371 -10.290 108 HA LYS 12 HA LYS 12 -8.959 -5.781 -11.052 109 1HB LYS 12 2HB LYS 12 -9.201 -7.745 -8.984 110 2HB LYS 12 1HB LYS 12 -8.763 -6.210 -8.232 111 1HG LYS 12 2HG LYS 12 -10.987 -6.490 -10.269 112 2HG LYS 12 1HG LYS 12 -11.254 -6.557 -8.525 113 1HD LYS 12 2HD LYS 12 -11.496 -4.302 -8.699 114 2HD LYS 12 1HD LYS 12 -9.732 -4.296 -8.744 115 1HE LYS 12 2HE LYS 12 -10.625 -4.870 -11.391 116 2HE LYS 12 1HE LYS 12 -11.544 -3.468 -10.809 117 1HZ LYS 12 1HZ LYS 12 -8.647 -3.789 -11.122 118 2HZ LYS 12 2HZ LYS 12 -9.206 -2.832 -9.834 119 3HZ LYS 12 3HZ LYS 12 -9.621 -2.434 -11.433 120 H GLY 13 H GLY 13 -6.081 -7.061 -9.393 121 1HA GLY 13 2HA GLY 13 -4.729 -4.488 -9.772 122 2HA GLY 13 1HA GLY 13 -5.007 -4.901 -8.080 123 H LYS 14 H LYS 14 -2.435 -4.651 -9.293 124 HA LYS 14 HA LYS 14 -1.437 -7.478 -9.135 125 1HB LYS 14 2HB LYS 14 -0.516 -5.103 -10.779 126 2HB LYS 14 1HB LYS 14 0.364 -6.629 -10.688 127 1HG LYS 14 2HG LYS 14 -2.505 -6.936 -11.283 128 2HG LYS 14 1HG LYS 14 -1.604 -6.069 -12.527 129 1HD LYS 14 2HD LYS 14 -0.591 -8.665 -11.362 130 2HD LYS 14 1HD LYS 14 -1.701 -8.635 -12.732 131 1HE LYS 14 2HE LYS 14 -0.130 -7.373 -14.073 132 2HE LYS 14 1HE LYS 14 0.946 -7.144 -12.680 133 1HZ LYS 14 1HZ LYS 14 1.799 -9.006 -13.795 134 2HZ LYS 14 2HZ LYS 14 0.259 -9.669 -14.067 135 3HZ LYS 14 3HZ LYS 14 0.917 -9.658 -12.503 136 H LYS 15 H LYS 15 1.096 -7.357 -8.654 137 HA LYS 15 HA LYS 15 1.624 -6.708 -6.034 138 1HB LYS 15 2HB LYS 15 3.940 -6.866 -6.651 139 2HB LYS 15 1HB LYS 15 3.053 -7.889 -7.782 140 1HG LYS 15 2HG LYS 15 3.845 -5.015 -8.344 141 2HG LYS 15 1HG LYS 15 4.747 -6.423 -8.904 142 1HD LYS 15 2HD LYS 15 2.517 -7.212 -9.940 143 2HD LYS 15 1HD LYS 15 1.965 -5.554 -9.687 144 1HE LYS 15 2HE LYS 15 4.488 -6.297 -11.213 145 2HE LYS 15 1HE LYS 15 2.939 -5.877 -11.970 146 1HZ LYS 15 1HZ LYS 15 4.883 -4.142 -10.890 147 2HZ LYS 15 2HZ LYS 15 3.446 -3.972 -10.001 148 3HZ LYS 15 3HZ LYS 15 3.441 -3.745 -11.684 149 H GLY 16 H GLY 16 2.082 -4.908 -4.837 150 1HA GLY 16 2HA GLY 16 1.685 -2.550 -4.432 151 2HA GLY 16 1HA GLY 16 3.295 -2.558 -5.116 152 H GLU 17 H GLU 17 0.109 -3.056 -6.699 153 HA GLU 17 HA GLU 17 0.948 -1.218 -8.830 154 1HB GLU 17 2HB GLU 17 -1.133 -1.932 -9.873 155 2HB GLU 17 1HB GLU 17 -0.347 -3.343 -9.170 156 1HG GLU 17 2HG GLU 17 -2.089 -3.722 -7.796 157 2HG GLU 17 1HG GLU 17 -2.108 -2.060 -7.246 158 H ILE 18 H ILE 18 0.552 0.960 -8.774 159 HA ILE 18 HA ILE 18 -1.391 1.938 -6.698 160 HB ILE 18 HB ILE 18 0.478 3.682 -8.270 161 1HG1 ILE 18 2HG1 ILE 18 1.944 2.961 -6.015 162 2HG1 ILE 18 1HG1 ILE 18 1.343 1.426 -6.642 163 1HG2 ILE 18 1HG2 ILE 18 0.021 5.158 -6.638 164 2HG2 ILE 18 2HG2 ILE 18 0.296 3.966 -5.374 165 3HG2 ILE 18 3HG2 ILE 18 -1.269 4.051 -6.175 166 1HD1 ILE 18 1HD1 ILE 18 3.589 2.408 -7.590 167 2HD1 ILE 18 2HD1 ILE 18 2.519 3.447 -8.531 168 3HD1 ILE 18 3HD1 ILE 18 2.420 1.695 -8.703 169 H LYS 19 H LYS 19 -3.236 2.590 -7.417 170 HA LYS 19 HA LYS 19 -3.608 4.237 -9.804 171 1HB LYS 19 2HB LYS 19 -3.543 1.628 -10.340 172 2HB LYS 19 1HB LYS 19 -5.165 1.654 -9.651 173 1HG LYS 19 2HG LYS 19 -6.023 2.627 -11.499 174 2HG LYS 19 1HG LYS 19 -4.752 3.849 -11.524 175 1HD LYS 19 2HD LYS 19 -3.732 2.785 -13.221 176 2HD LYS 19 1HD LYS 19 -3.601 1.322 -12.242 177 1HE LYS 19 2HE LYS 19 -5.029 0.390 -13.752 178 2HE LYS 19 1HE LYS 19 -6.292 1.371 -12.978 179 1HZ LYS 19 1HZ LYS 19 -5.936 3.127 -14.479 180 2HZ LYS 19 2HZ LYS 19 -5.963 1.734 -15.449 181 3HZ LYS 19 3HZ LYS 19 -4.482 2.467 -15.053 182 H ASN 20 H ASN 20 -6.497 2.858 -9.339 183 HA ASN 20 HA ASN 20 -7.022 3.772 -6.615 184 1HB ASN 20 2HB ASN 20 -8.745 5.407 -7.249 185 2HB ASN 20 1HB ASN 20 -7.172 5.873 -7.927 186 1HD2 ASN 20 1HD2 ASN 20 -9.284 6.982 -9.240 187 2HD2 ASN 20 2HD2 ASN 20 -9.584 6.203 -10.718 188 H VAL 21 H VAL 21 -8.239 2.352 -5.786 189 HA VAL 21 HA VAL 21 -9.811 0.483 -7.442 190 HB VAL 21 HB VAL 21 -8.297 0.137 -5.320 191 1HG1 VAL 21 1HG1 VAL 21 -8.933 0.885 -3.318 192 2HG1 VAL 21 2HG1 VAL 21 -10.618 0.459 -3.605 193 3HG1 VAL 21 3HG1 VAL 21 -9.974 1.979 -4.224 194 1HG2 VAL 21 1HG2 VAL 21 -10.018 -1.542 -4.389 195 2HG2 VAL 21 2HG2 VAL 21 -9.343 -1.777 -6.001 196 3HG2 VAL 21 3HG2 VAL 21 -10.951 -1.075 -5.810 197 H ALA 22 H ALA 22 -11.776 0.484 -5.078 198 HA ALA 22 HA ALA 22 -13.403 2.748 -6.075 199 1HB ALA 22 1HB ALA 22 -15.059 1.523 -5.125 200 2HB ALA 22 2HB ALA 22 -14.279 1.650 -3.557 201 3HB ALA 22 3HB ALA 22 -13.850 0.335 -4.648 202 H ASP 23 H ASP 23 -12.588 4.706 -5.455 203 HA ASP 23 HA ASP 23 -10.664 5.522 -3.808 204 1HB ASP 23 2HB ASP 23 -11.977 7.563 -3.442 205 2HB ASP 23 1HB ASP 23 -12.358 6.919 -5.034 206 H GLY 24 H GLY 24 -13.836 4.453 -2.614 207 1HA GLY 24 2HA GLY 24 -12.965 4.855 0.196 208 2HA GLY 24 1HA GLY 24 -14.571 4.334 -0.316 209 H TYR 25 H TYR 25 -13.765 2.229 -2.023 210 HA TYR 25 HA TYR 25 -13.607 -0.085 -0.431 211 1HB TYR 25 2HB TYR 25 -14.079 -0.123 -2.792 212 2HB TYR 25 1HB TYR 25 -12.608 0.760 -3.148 213 HD1 TYR 25 HD1 TYR 25 -11.541 -1.685 -0.847 214 HD2 TYR 25 HD2 TYR 25 -12.913 -1.264 -4.893 215 HE1 TYR 25 HE1 TYR 25 -10.463 -3.786 -1.460 216 HE2 TYR 25 HE2 TYR 25 -11.815 -3.392 -5.482 217 HH TYR 25 HH TYR 25 -10.913 -5.278 -4.602 218 H ALA 26 H ALA 26 -11.062 1.565 -2.189 219 HA ALA 26 HA ALA 26 -8.674 0.443 -1.485 220 1HB ALA 26 1HB ALA 26 -9.453 3.375 -1.077 221 2HB ALA 26 2HB ALA 26 -9.038 2.647 -2.626 222 3HB ALA 26 3HB ALA 26 -7.817 2.791 -1.365 223 H ASN 27 H ASN 27 -10.086 2.886 0.767 224 HA ASN 27 HA ASN 27 -8.489 1.743 2.960 225 1HB ASN 27 2HB ASN 27 -8.883 4.214 2.391 226 2HB ASN 27 1HB ASN 27 -10.487 3.999 3.083 227 1HD2 ASN 27 1HD2 ASN 27 -9.968 5.454 4.814 228 2HD2 ASN 27 2HD2 ASN 27 -8.989 4.949 6.089 229 H ASN 28 H ASN 28 -10.714 0.045 1.973 230 HA ASN 28 HA ASN 28 -12.081 -0.292 4.594 231 1HB ASN 28 2HB ASN 28 -13.241 1.003 2.394 232 2HB ASN 28 1HB ASN 28 -13.939 -0.617 2.384 233 1HD2 ASN 28 1HD2 ASN 28 -15.401 -1.181 4.087 234 2HD2 ASN 28 2HD2 ASN 28 -15.872 -0.088 5.298 235 H PHE 29 H PHE 29 -10.285 -1.668 2.270 236 HA PHE 29 HA PHE 29 -11.142 -4.392 2.959 237 1HB PHE 29 2HB PHE 29 -12.723 -3.912 1.184 238 2HB PHE 29 1HB PHE 29 -11.497 -3.102 0.246 239 HD1 PHE 29 HD1 PHE 29 -10.094 -6.088 1.641 240 HD2 PHE 29 HD2 PHE 29 -12.615 -4.670 -1.519 241 HE1 PHE 29 HE1 PHE 29 -9.537 -8.079 0.315 242 HE2 PHE 29 HE2 PHE 29 -12.073 -6.674 -2.846 243 HZ PHE 29 HZ PHE 29 -10.547 -8.402 -1.929 244 H LEU 30 H LEU 30 -9.205 -2.415 0.708 245 HA LEU 30 HA LEU 30 -7.099 -4.467 0.566 246 1HB LEU 30 2HB LEU 30 -7.026 -1.638 -0.518 247 2HB LEU 30 1HB LEU 30 -6.242 -3.073 -1.183 248 HG LEU 30 HG LEU 30 -9.188 -2.800 -0.907 249 1HD1 LEU 30 1HD1 LEU 30 -7.397 -1.683 -2.961 250 2HD1 LEU 30 2HD1 LEU 30 -9.049 -1.223 -2.543 251 3HD1 LEU 30 3HD1 LEU 30 -8.758 -2.607 -3.595 252 1HD2 LEU 30 1HD2 LEU 30 -7.384 -4.870 -1.907 253 2HD2 LEU 30 2HD2 LEU 30 -8.630 -4.451 -3.067 254 3HD2 LEU 30 3HD2 LEU 30 -9.080 -5.003 -1.455 255 H PHE 31 H PHE 31 -7.644 -1.348 1.955 256 HA PHE 31 HA PHE 31 -4.917 -1.030 2.924 257 1HB PHE 31 2HB PHE 31 -7.589 0.272 3.313 258 2HB PHE 31 1HB PHE 31 -6.091 0.933 3.938 259 HD1 PHE 31 HD1 PHE 31 -5.339 -0.819 0.915 260 HD2 PHE 31 HD2 PHE 31 -7.077 2.818 2.386 261 HE1 PHE 31 HE1 PHE 31 -4.814 0.322 -1.211 262 HE2 PHE 31 HE2 PHE 31 -6.561 3.946 0.259 263 HZ PHE 31 HZ PHE 31 -5.428 2.700 -1.536 264 H LYS 32 H LYS 32 -8.065 -1.320 4.655 265 HA LYS 32 HA LYS 32 -6.821 -1.688 7.218 266 1HB LYS 32 2HB LYS 32 -9.053 -1.828 7.963 267 2HB LYS 32 1HB LYS 32 -9.165 -0.846 6.503 268 1HG LYS 32 2HG LYS 32 -10.767 -2.340 5.893 269 2HG LYS 32 1HG LYS 32 -9.397 -3.369 5.470 270 1HD LYS 32 2HD LYS 32 -10.434 -4.824 6.897 271 2HD LYS 32 1HD LYS 32 -9.545 -3.898 8.106 272 1HE LYS 32 2HE LYS 32 -12.054 -2.581 7.411 273 2HE LYS 32 1HE LYS 32 -12.325 -4.224 8.024 274 1HZ LYS 32 1HZ LYS 32 -11.082 -1.932 9.348 275 2HZ LYS 32 2HZ LYS 32 -10.428 -3.463 9.679 276 3HZ LYS 32 3HZ LYS 32 -12.067 -3.148 9.998 277 H GLN 33 H GLN 33 -6.899 -3.829 4.645 278 HA GLN 33 HA GLN 33 -6.926 -6.192 6.499 279 1HB GLN 33 2HB GLN 33 -7.527 -5.998 3.536 280 2HB GLN 33 1HB GLN 33 -7.619 -7.467 4.498 281 1HG GLN 33 2HG GLN 33 -9.188 -5.927 6.016 282 2HG GLN 33 1HG GLN 33 -9.439 -5.101 4.477 283 1HE2 GLN 33 1HE2 GLN 33 -11.665 -6.370 5.466 284 2HE2 GLN 33 2HE2 GLN 33 -11.976 -7.809 4.621 285 H GLY 34 H GLY 34 -5.764 -6.342 3.180 286 1HA GLY 34 2HA GLY 34 -2.984 -5.907 3.773 287 2HA GLY 34 1HA GLY 34 -3.354 -7.627 3.847 288 H LEU 35 H LEU 35 -5.138 -5.627 1.594 289 HA LEU 35 HA LEU 35 -3.841 -7.108 -0.646 290 1HB LEU 35 2HB LEU 35 -6.183 -5.196 -0.640 291 2HB LEU 35 1HB LEU 35 -5.756 -6.314 -1.921 292 HG LEU 35 HG LEU 35 -6.001 -7.995 0.242 293 1HD1 LEU 35 1HD1 LEU 35 -6.919 -6.096 1.590 294 2HD1 LEU 35 2HD1 LEU 35 -8.077 -7.406 1.375 295 3HD1 LEU 35 3HD1 LEU 35 -8.216 -5.939 0.407 296 1HD2 LEU 35 1HD2 LEU 35 -8.093 -8.678 -0.840 297 2HD2 LEU 35 2HD2 LEU 35 -6.902 -8.254 -2.073 298 3HD2 LEU 35 3HD2 LEU 35 -8.192 -7.121 -1.664 299 H ALA 36 H ALA 36 -4.773 -3.793 0.242 300 HA ALA 36 HA ALA 36 -2.431 -2.709 -1.302 301 1HB ALA 36 1HB ALA 36 -4.729 -2.680 -2.482 302 2HB ALA 36 2HB ALA 36 -3.872 -1.141 -2.377 303 3HB ALA 36 3HB ALA 36 -5.197 -1.491 -1.266 304 H ILE 37 H ILE 37 -2.393 -0.208 -0.864 305 HA ILE 37 HA ILE 37 -3.249 0.458 1.882 306 HB ILE 37 HB ILE 37 -1.026 -0.209 2.336 307 1HG1 ILE 37 2HG1 ILE 37 0.408 1.941 2.163 308 2HG1 ILE 37 1HG1 ILE 37 -1.050 2.672 1.500 309 1HG2 ILE 37 1HG2 ILE 37 -0.198 1.008 -0.308 310 2HG2 ILE 37 2HG2 ILE 37 -0.524 -0.707 -0.055 311 3HG2 ILE 37 3HG2 ILE 37 0.820 0.069 0.783 312 1HD1 ILE 37 1HD1 ILE 37 -2.304 1.986 3.531 313 2HD1 ILE 37 2HD1 ILE 37 -0.940 3.033 3.935 314 3HD1 ILE 37 3HD1 ILE 37 -0.822 1.291 4.190 315 H GLU 38 H GLU 38 -3.228 2.832 2.142 316 HA GLU 38 HA GLU 38 -4.483 4.269 0.100 317 1HB GLU 38 2HB GLU 38 -2.572 5.291 2.226 318 2HB GLU 38 1HB GLU 38 -3.801 6.256 1.402 319 1HG GLU 38 2HG GLU 38 -5.152 5.662 3.122 320 2HG GLU 38 1HG GLU 38 -5.262 4.107 2.291 321 H ALA 39 H ALA 39 -3.722 4.642 -1.983 322 HA ALA 39 HA ALA 39 -0.874 4.575 -2.605 323 1HB ALA 39 1HB ALA 39 -3.104 5.926 -4.119 324 2HB ALA 39 2HB ALA 39 -2.811 4.193 -4.179 325 3HB ALA 39 3HB ALA 39 -1.601 5.318 -4.797 326 H THR 40 H THR 40 -0.683 6.213 -0.550 327 HA THR 40 HA THR 40 -0.987 9.037 -1.351 328 HB THR 40 HB THR 40 -1.360 7.788 0.942 329 HG1 THR 40 HG1 THR 40 -1.657 9.980 0.689 330 1HG2 THR 40 1HG2 THR 40 0.673 8.161 2.430 331 2HG2 THR 40 2HG2 THR 40 1.609 8.312 0.946 332 3HG2 THR 40 3HG2 THR 40 0.768 6.805 1.307 333 HA PRO 41 HA PRO 41 3.046 9.870 -2.798 334 1HB PRO 41 2HB PRO 41 4.111 11.639 -1.005 335 2HB PRO 41 1HB PRO 41 2.898 12.107 -2.212 336 1HG PRO 41 2HG PRO 41 2.625 11.821 0.679 337 2HG PRO 41 1HG PRO 41 1.586 12.669 -0.474 338 1HD PRO 41 2HD PRO 41 1.206 10.070 0.709 339 2HD PRO 41 1HD PRO 41 0.115 10.955 -0.375 340 H ALA 42 H ALA 42 3.293 9.944 0.774 341 HA ALA 42 HA ALA 42 5.746 8.885 1.290 342 1HB ALA 42 1HB ALA 42 3.619 7.506 2.781 343 2HB ALA 42 2HB ALA 42 3.359 9.243 2.630 344 3HB ALA 42 3HB ALA 42 4.844 8.635 3.360 345 H ASN 43 H ASN 43 2.893 6.759 0.700 346 HA ASN 43 HA ASN 43 4.494 4.347 0.584 347 1HB ASN 43 2HB ASN 43 1.699 5.040 -0.374 348 2HB ASN 43 1HB ASN 43 2.338 3.399 -0.270 349 1HD2 ASN 43 1HD2 ASN 43 0.079 4.126 1.276 350 2HD2 ASN 43 2HD2 ASN 43 0.522 4.159 2.924 351 H LEU 44 H LEU 44 3.044 6.434 -1.933 352 HA LEU 44 HA LEU 44 3.760 4.912 -4.220 353 1HB LEU 44 2HB LEU 44 3.075 7.718 -3.507 354 2HB LEU 44 1HB LEU 44 3.909 7.510 -5.047 355 HG LEU 44 HG LEU 44 1.353 7.402 -5.128 356 1HD1 LEU 44 1HD1 LEU 44 3.326 6.045 -6.551 357 2HD1 LEU 44 2HD1 LEU 44 1.645 6.250 -7.045 358 3HD1 LEU 44 3HD1 LEU 44 2.138 4.796 -6.178 359 1HD2 LEU 44 1HD2 LEU 44 0.233 5.518 -4.282 360 2HD2 LEU 44 2HD2 LEU 44 1.372 5.911 -2.995 361 3HD2 LEU 44 3HD2 LEU 44 1.723 4.591 -4.111 362 H LYS 45 H LYS 45 5.496 7.802 -2.958 363 HA LYS 45 HA LYS 45 7.828 7.639 -4.493 364 1HB LYS 45 2HB LYS 45 7.249 9.440 -2.902 365 2HB LYS 45 1HB LYS 45 7.513 8.336 -1.552 366 1HG LYS 45 2HG LYS 45 9.782 8.472 -1.709 367 2HG LYS 45 1HG LYS 45 9.755 8.525 -3.471 368 1HD LYS 45 2HD LYS 45 8.802 10.862 -1.817 369 2HD LYS 45 1HD LYS 45 10.505 10.665 -2.237 370 1HE LYS 45 2HE LYS 45 8.260 10.676 -4.284 371 2HE LYS 45 1HE LYS 45 9.250 12.094 -3.885 372 1HZ LYS 45 1HZ LYS 45 11.116 10.191 -4.183 373 2HZ LYS 45 2HZ LYS 45 10.642 11.256 -5.420 374 3HZ LYS 45 3HZ LYS 45 9.975 9.693 -5.338 375 H ALA 46 H ALA 46 7.175 6.005 -1.377 376 HA ALA 46 HA ALA 46 9.671 4.600 -1.204 377 1HB ALA 46 1HB ALA 46 7.181 3.360 -0.152 378 2HB ALA 46 2HB ALA 46 7.490 5.017 0.367 379 3HB ALA 46 3HB ALA 46 8.679 3.756 0.692 380 H LEU 47 H LEU 47 6.554 3.814 -2.694 381 HA LEU 47 HA LEU 47 6.848 1.112 -3.349 382 1HB LEU 47 2HB LEU 47 5.030 2.976 -3.834 383 2HB LEU 47 1HB LEU 47 5.877 3.111 -5.376 384 HG LEU 47 HG LEU 47 4.008 1.507 -5.524 385 1HD1 LEU 47 1HD1 LEU 47 6.148 1.187 -6.824 386 2HD1 LEU 47 2HD1 LEU 47 5.250 -0.304 -6.541 387 3HD1 LEU 47 3HD1 LEU 47 6.675 0.065 -5.571 388 1HD2 LEU 47 1HD2 LEU 47 3.873 -0.432 -4.169 389 2HD2 LEU 47 2HD2 LEU 47 4.295 0.852 -3.035 390 3HD2 LEU 47 3HD2 LEU 47 5.537 -0.261 -3.610 391 H GLU 48 H GLU 48 7.676 3.780 -5.592 392 HA GLU 48 HA GLU 48 9.235 2.220 -7.385 393 1HB GLU 48 2HB GLU 48 8.404 4.429 -7.927 394 2HB GLU 48 1HB GLU 48 9.270 5.143 -6.568 395 1HG GLU 48 2HG GLU 48 11.255 3.819 -8.020 396 2HG GLU 48 1HG GLU 48 10.226 4.542 -9.255 397 H ALA 49 H ALA 49 9.956 3.581 -4.242 398 HA ALA 49 HA ALA 49 12.861 3.385 -4.445 399 1HB ALA 49 1HB ALA 49 11.597 3.271 -1.787 400 2HB ALA 49 2HB ALA 49 10.997 4.587 -2.795 401 3HB ALA 49 3HB ALA 49 12.719 4.462 -2.440 402 H GLN 50 H GLN 50 10.283 1.388 -2.950 403 HA GLN 50 HA GLN 50 12.020 -0.651 -1.919 404 1HB GLN 50 2HB GLN 50 9.166 -0.162 -2.414 405 2HB GLN 50 1HB GLN 50 9.602 -1.864 -2.577 406 1HG GLN 50 2HG GLN 50 10.525 -1.929 -0.362 407 2HG GLN 50 1HG GLN 50 10.421 -0.175 -0.202 408 1HE2 GLN 50 1HE2 GLN 50 8.958 -0.235 1.628 409 2HE2 GLN 50 2HE2 GLN 50 7.353 -0.770 1.478 410 H LYS 51 H LYS 51 11.106 0.214 -5.106 411 HA LYS 51 HA LYS 51 11.564 -2.459 -6.279 412 1HB LYS 51 2HB LYS 51 10.157 -0.090 -6.904 413 2HB LYS 51 1HB LYS 51 11.424 -0.224 -8.123 414 1HG LYS 51 2HG LYS 51 9.727 -1.500 -9.085 415 2HG LYS 51 1HG LYS 51 10.653 -2.738 -8.234 416 1HD LYS 51 2HD LYS 51 8.982 -3.132 -6.741 417 2HD LYS 51 1HD LYS 51 8.593 -1.418 -6.586 418 1HE LYS 51 2HE LYS 51 7.116 -1.451 -8.398 419 2HE LYS 51 1HE LYS 51 7.903 -2.859 -9.141 420 1HZ LYS 51 1HZ LYS 51 7.231 -3.902 -6.816 421 2HZ LYS 51 2HZ LYS 51 6.181 -3.927 -8.151 422 3HZ LYS 51 3HZ LYS 51 5.987 -2.753 -6.937 423 H GLN 52 H GLN 52 13.407 0.323 -5.430 424 HA GLN 52 HA GLN 52 15.392 0.356 -7.475 425 1HB GLN 52 2HB GLN 52 14.891 1.436 -4.826 426 2HB GLN 52 1HB GLN 52 16.594 1.023 -5.019 427 1HG GLN 52 2HG GLN 52 16.166 3.331 -5.765 428 2HG GLN 52 1HG GLN 52 16.671 2.320 -7.117 429 1HE2 GLN 52 1HE2 GLN 52 14.112 4.328 -5.916 430 2HE2 GLN 52 2HE2 GLN 52 13.009 4.039 -7.172 431 H LYS 53 H LYS 53 17.828 -0.119 -6.416 432 HA LYS 53 HA LYS 53 17.802 -2.928 -5.390 433 1HB LYS 53 2HB LYS 53 17.975 -2.724 -7.919 434 2HB LYS 53 1HB LYS 53 19.524 -1.919 -7.668 435 1HG LYS 53 2HG LYS 53 20.337 -4.055 -7.793 436 2HG LYS 53 1HG LYS 53 19.869 -4.098 -6.092 437 1HD LYS 53 2HD LYS 53 17.498 -4.736 -7.244 438 2HD LYS 53 1HD LYS 53 18.609 -5.417 -8.432 439 1HE LYS 53 2HE LYS 53 18.234 -7.165 -6.829 440 2HE LYS 53 1HE LYS 53 19.825 -6.494 -6.420 441 1HZ LYS 53 1HZ LYS 53 17.478 -5.183 -5.280 442 2HZ LYS 53 2HZ LYS 53 19.022 -5.412 -4.611 443 3HZ LYS 53 3HZ LYS 53 17.902 -6.689 -4.629 444 H GLU 54 H GLU 54 18.443 -0.293 -4.135 445 HA GLU 54 HA GLU 54 21.315 -0.836 -3.450 446 1HB GLU 54 2HB GLU 54 19.882 1.833 -3.593 447 2HB GLU 54 1HB GLU 54 21.605 1.583 -3.307 448 1HG GLU 54 2HG GLU 54 20.519 0.311 -5.753 449 2HG GLU 54 1HG GLU 54 20.556 2.074 -5.764 450 H GLN 55 H GLN 55 19.028 -1.920 -2.039 451 HA GLN 55 HA GLN 55 19.514 -0.691 0.619 452 1HB GLN 55 2HB GLN 55 17.575 0.464 -0.483 453 2HB GLN 55 1HB GLN 55 16.749 -1.092 -0.566 454 1HG GLN 55 2HG GLN 55 15.906 -0.430 1.454 455 2HG GLN 55 1HG GLN 55 17.435 -1.075 2.053 456 1HE2 GLN 55 1HE2 GLN 55 18.393 0.373 3.483 457 2HE2 GLN 55 2HE2 GLN 55 18.358 2.064 3.335 458 H ARG 56 HN ARG 56 20.372 -3.207 -0.374 459 HA ARG 56 HA ARG 56 18.783 -5.034 1.377 460 1HB ARG 56 2HB ARG 56 18.078 -5.264 -0.990 461 2HB ARG 56 1HB ARG 56 19.751 -5.588 -1.448 462 1HG ARG 56 2HG ARG 56 18.542 -7.256 0.719 463 2HG ARG 56 1HG ARG 56 18.055 -7.580 -0.945 464 1HD ARG 56 2HD ARG 56 20.962 -7.220 -0.636 465 2HD ARG 56 1HD ARG 56 20.315 -8.624 0.237 466 HE ARG 56 HE ARG 56 20.329 -8.279 -2.672 467 1HH1 ARG 56 1HH2 ARG 56 20.106 -10.514 -0.250 468 2HH1 ARG 56 2HH2 ARG 56 18.896 -11.504 -0.997 469 1HH2 ARG 56 1HH1 ARG 56 18.216 -9.224 -3.521 470 2HH2 ARG 56 2HH1 ARG 56 17.824 -10.771 -2.848 Start of MODEL 15 1 1H MET 1 1H MET 1 -9.484 8.566 -3.514 2 2H MET 1 2H MET 1 -10.304 7.263 -2.804 3 3H MET 1 3H MET 1 -9.559 7.077 -4.319 4 HA MET 1 HA MET 1 -7.672 7.969 -2.384 5 1HB MET 1 2HB MET 1 -9.507 6.744 -1.020 6 2HB MET 1 1HB MET 1 -8.958 5.276 -1.840 7 1HG MET 1 2HG MET 1 -7.065 5.167 -0.619 8 2HG MET 1 1HG MET 1 -6.760 6.896 -0.761 9 1HE MET 1 1HE MET 1 -6.603 6.076 2.994 10 2HE MET 1 2HE MET 1 -5.814 5.767 1.449 11 3HE MET 1 3HE MET 1 -6.907 4.563 2.128 12 H LYS 2 H LYS 2 -6.157 7.767 -4.108 13 HA LYS 2 HA LYS 2 -6.105 5.707 -6.052 14 1HB LYS 2 2HB LYS 2 -4.150 7.608 -4.814 15 2HB LYS 2 1HB LYS 2 -3.508 6.313 -5.827 16 1HG LYS 2 2HG LYS 2 -5.778 7.435 -7.151 17 2HG LYS 2 1HG LYS 2 -4.720 8.758 -6.661 18 1HD LYS 2 2HD LYS 2 -2.834 7.142 -7.615 19 2HD LYS 2 1HD LYS 2 -4.185 6.502 -8.554 20 1HE LYS 2 2HE LYS 2 -4.586 8.584 -9.620 21 2HE LYS 2 1HE LYS 2 -3.644 9.478 -8.410 22 1HZ LYS 2 1HZ LYS 2 -1.969 9.234 -9.865 23 2HZ LYS 2 2HZ LYS 2 -2.731 7.966 -10.700 24 3HZ LYS 2 3HZ LYS 2 -1.872 7.648 -9.270 25 H VAL 3 H VAL 3 -5.000 3.593 -5.976 26 HA VAL 3 HA VAL 3 -4.281 2.811 -3.208 27 HB VAL 3 HB VAL 3 -6.204 1.905 -5.270 28 1HG1 VAL 3 1HG1 VAL 3 -4.879 -0.088 -4.868 29 2HG1 VAL 3 2HG1 VAL 3 -6.477 -0.251 -4.131 30 3HG1 VAL 3 3HG1 VAL 3 -5.072 0.111 -3.127 31 1HG2 VAL 3 1HG2 VAL 3 -6.784 1.614 -2.443 32 2HG2 VAL 3 2HG2 VAL 3 -7.619 2.549 -3.682 33 3HG2 VAL 3 3HG2 VAL 3 -6.226 3.236 -2.855 34 H ILE 4 H ILE 4 -2.509 1.682 -2.935 35 HA ILE 4 HA ILE 4 -0.937 0.658 -5.230 36 HB ILE 4 HB ILE 4 -0.573 1.669 -2.438 37 1HG1 ILE 4 2HG1 ILE 4 0.239 2.348 -5.106 38 2HG1 ILE 4 1HG1 ILE 4 0.514 3.260 -3.628 39 1HG2 ILE 4 1HG2 ILE 4 1.762 0.571 -2.480 40 2HG2 ILE 4 2HG2 ILE 4 1.026 -0.569 -3.604 41 3HG2 ILE 4 3HG2 ILE 4 0.383 -0.386 -1.978 42 1HD1 ILE 4 1HD1 ILE 4 2.309 1.147 -4.855 43 2HD1 ILE 4 2HD1 ILE 4 2.526 1.745 -3.210 44 3HD1 ILE 4 3HD1 ILE 4 2.685 2.850 -4.575 45 H PHE 5 H PHE 5 -2.230 -1.391 -5.547 46 HA PHE 5 HA PHE 5 -2.826 -3.087 -3.269 47 1HB PHE 5 2HB PHE 5 -2.587 -3.422 -6.233 48 2HB PHE 5 1HB PHE 5 -2.610 -4.859 -5.225 49 HD1 PHE 5 HD1 PHE 5 -4.602 -5.445 -3.889 50 HD2 PHE 5 HD2 PHE 5 -4.606 -2.025 -6.496 51 HE1 PHE 5 HE1 PHE 5 -7.067 -5.396 -3.823 52 HE2 PHE 5 HE2 PHE 5 -7.078 -1.978 -6.411 53 HZ PHE 5 HZ PHE 5 -8.302 -3.663 -5.085 54 H LEU 6 H LEU 6 -1.212 -3.946 -2.045 55 HA LEU 6 HA LEU 6 1.551 -3.997 -2.981 56 1HB LEU 6 2HB LEU 6 1.853 -5.054 -0.661 57 2HB LEU 6 1HB LEU 6 1.136 -3.443 -0.688 58 HG LEU 6 HG LEU 6 -0.867 -5.565 -0.929 59 1HD1 LEU 6 1HD1 LEU 6 1.258 -5.993 0.936 60 2HD1 LEU 6 2HD1 LEU 6 -0.234 -6.916 0.756 61 3HD1 LEU 6 3HD1 LEU 6 -0.179 -5.532 1.847 62 1HD2 LEU 6 1HD2 LEU 6 -0.977 -2.996 -0.334 63 2HD2 LEU 6 2HD2 LEU 6 -0.639 -3.563 1.301 64 3HD2 LEU 6 3HD2 LEU 6 -2.081 -4.123 0.453 65 H LYS 7 H LYS 7 -1.120 -6.154 -2.914 66 HA LYS 7 HA LYS 7 0.661 -8.402 -3.789 67 1HB LYS 7 2HB LYS 7 -1.663 -8.211 -1.920 68 2HB LYS 7 1HB LYS 7 -1.534 -9.671 -2.903 69 1HG LYS 7 2HG LYS 7 0.371 -10.378 -1.854 70 2HG LYS 7 1HG LYS 7 0.963 -8.739 -1.597 71 1HD LYS 7 2HD LYS 7 -0.977 -8.514 0.100 72 2HD LYS 7 1HD LYS 7 -1.064 -10.274 0.027 73 1HE LYS 7 2HE LYS 7 1.393 -10.351 0.592 74 2HE LYS 7 1HE LYS 7 1.328 -8.597 0.857 75 1HZ LYS 7 1HZ LYS 7 -0.307 -8.855 2.521 76 2HZ LYS 7 2HZ LYS 7 0.889 -10.006 2.880 77 3HZ LYS 7 3HZ LYS 7 -0.562 -10.488 2.141 78 H ASP 8 H ASP 8 -1.344 -10.053 -4.755 79 HA ASP 8 HA ASP 8 -2.215 -8.519 -7.152 80 1HB ASP 8 2HB ASP 8 -0.886 -10.646 -7.286 81 2HB ASP 8 1HB ASP 8 -2.244 -11.494 -6.547 82 H VAL 9 H VAL 9 -4.421 -9.104 -8.017 83 HA VAL 9 HA VAL 9 -6.412 -9.802 -5.898 84 HB VAL 9 HB VAL 9 -7.022 -7.554 -7.782 85 1HG1 VAL 9 1HG1 VAL 9 -8.785 -8.121 -6.319 86 2HG1 VAL 9 2HG1 VAL 9 -8.043 -6.715 -5.556 87 3HG1 VAL 9 3HG1 VAL 9 -7.696 -8.333 -4.947 88 1HG2 VAL 9 1HG2 VAL 9 -4.750 -6.987 -6.990 89 2HG2 VAL 9 2HG2 VAL 9 -5.267 -7.232 -5.322 90 3HG2 VAL 9 3HG2 VAL 9 -5.950 -5.911 -6.272 91 H LYS 10 H LYS 10 -8.614 -10.229 -6.989 92 HA LYS 10 HA LYS 10 -8.422 -12.158 -9.031 93 1HB LYS 10 2HB LYS 10 -10.338 -11.180 -7.373 94 2HB LYS 10 1HB LYS 10 -10.883 -10.501 -8.908 95 1HG LYS 10 2HG LYS 10 -11.270 -12.585 -9.851 96 2HG LYS 10 1HG LYS 10 -10.072 -13.384 -8.830 97 1HD LYS 10 2HD LYS 10 -11.509 -13.440 -6.970 98 2HD LYS 10 1HD LYS 10 -12.561 -12.187 -7.629 99 1HE LYS 10 2HE LYS 10 -13.887 -13.829 -8.455 100 2HE LYS 10 1HE LYS 10 -12.561 -14.289 -9.537 101 1HZ LYS 10 1HZ LYS 10 -13.525 -15.684 -7.303 102 2HZ LYS 10 2HZ LYS 10 -11.943 -15.183 -6.953 103 3HZ LYS 10 3HZ LYS 10 -12.254 -16.115 -8.337 104 H GLY 11 H GLY 11 -6.986 -11.182 -10.667 105 1HA GLY 11 2HA GLY 11 -6.515 -9.902 -12.589 106 2HA GLY 11 1HA GLY 11 -8.178 -10.312 -13.005 107 H LYS 12 H LYS 12 -6.837 -8.168 -10.468 108 HA LYS 12 HA LYS 12 -8.124 -5.849 -11.824 109 1HB LYS 12 2HB LYS 12 -9.480 -7.282 -9.959 110 2HB LYS 12 1HB LYS 12 -8.655 -6.123 -8.916 111 1HG LYS 12 2HG LYS 12 -9.508 -4.480 -10.915 112 2HG LYS 12 1HG LYS 12 -10.804 -5.678 -10.899 113 1HD LYS 12 2HD LYS 12 -9.823 -4.513 -8.310 114 2HD LYS 12 1HD LYS 12 -10.960 -3.602 -9.304 115 1HE LYS 12 2HE LYS 12 -12.291 -5.886 -9.359 116 2HE LYS 12 1HE LYS 12 -11.374 -6.212 -7.875 117 1HZ LYS 12 1HZ LYS 12 -12.035 -3.715 -7.416 118 2HZ LYS 12 2HZ LYS 12 -13.062 -4.999 -6.990 119 3HZ LYS 12 3HZ LYS 12 -13.346 -4.121 -8.416 120 H GLY 13 H GLY 13 -5.997 -7.069 -9.247 121 1HA GLY 13 2HA GLY 13 -4.510 -4.494 -9.417 122 2HA GLY 13 1HA GLY 13 -4.905 -5.162 -7.829 123 H LYS 14 H LYS 14 -2.243 -4.765 -8.637 124 HA LYS 14 HA LYS 14 -1.288 -7.596 -8.768 125 1HB LYS 14 2HB LYS 14 -0.244 -5.189 -10.302 126 2HB LYS 14 1HB LYS 14 0.461 -6.805 -10.344 127 1HG LYS 14 2HG LYS 14 -1.568 -7.726 -11.311 128 2HG LYS 14 1HG LYS 14 -2.396 -6.177 -11.142 129 1HD LYS 14 2HD LYS 14 0.132 -6.515 -12.770 130 2HD LYS 14 1HD LYS 14 -1.480 -6.673 -13.466 131 1HE LYS 14 2HE LYS 14 -1.032 -4.236 -11.822 132 2HE LYS 14 1HE LYS 14 -0.160 -4.305 -13.366 133 1HZ LYS 14 1HZ LYS 14 -2.137 -3.627 -14.185 134 2HZ LYS 14 2HZ LYS 14 -3.023 -4.213 -12.860 135 3HZ LYS 14 3HZ LYS 14 -2.528 -5.275 -14.090 136 H LYS 15 H LYS 15 1.330 -7.315 -8.428 137 HA LYS 15 HA LYS 15 1.762 -6.690 -5.736 138 1HB LYS 15 2HB LYS 15 4.029 -7.062 -6.272 139 2HB LYS 15 1HB LYS 15 3.179 -7.901 -7.569 140 1HG LYS 15 2HG LYS 15 4.249 -5.068 -7.748 141 2HG LYS 15 1HG LYS 15 5.029 -6.491 -8.438 142 1HD LYS 15 2HD LYS 15 3.102 -6.899 -9.879 143 2HD LYS 15 1HD LYS 15 2.227 -5.557 -9.140 144 1HE LYS 15 2HE LYS 15 4.843 -4.695 -10.069 145 2HE LYS 15 1HE LYS 15 3.880 -5.391 -11.387 146 1HZ LYS 15 1HZ LYS 15 2.240 -3.861 -11.137 147 2HZ LYS 15 2HZ LYS 15 3.529 -2.909 -10.570 148 3HZ LYS 15 3HZ LYS 15 2.492 -3.683 -9.469 149 H GLY 16 H GLY 16 1.997 -4.790 -4.637 150 1HA GLY 16 2HA GLY 16 1.674 -2.438 -4.368 151 2HA GLY 16 1HA GLY 16 3.283 -2.463 -5.066 152 H GLU 17 H GLU 17 0.182 -3.175 -6.748 153 HA GLU 17 HA GLU 17 0.967 -1.300 -8.861 154 1HB GLU 17 2HB GLU 17 -0.448 -2.584 -10.046 155 2HB GLU 17 1HB GLU 17 -0.659 -3.568 -8.603 156 1HG GLU 17 2HG GLU 17 -2.669 -2.467 -8.015 157 2HG GLU 17 1HG GLU 17 -2.328 -1.090 -9.059 158 H ILE 18 H ILE 18 0.465 0.830 -8.899 159 HA ILE 18 HA ILE 18 -1.402 1.898 -6.788 160 HB ILE 18 HB ILE 18 0.431 3.491 -8.583 161 1HG1 ILE 18 2HG1 ILE 18 1.814 2.984 -6.201 162 2HG1 ILE 18 1HG1 ILE 18 1.268 1.403 -6.759 163 1HG2 ILE 18 1HG2 ILE 18 -1.275 4.045 -6.422 164 2HG2 ILE 18 2HG2 ILE 18 -0.117 5.144 -7.173 165 3HG2 ILE 18 3HG2 ILE 18 0.361 4.172 -5.782 166 1HD1 ILE 18 1HD1 ILE 18 2.128 2.415 -9.099 167 2HD1 ILE 18 2HD1 ILE 18 3.200 1.549 -7.998 168 3HD1 ILE 18 3HD1 ILE 18 3.181 3.314 -8.007 169 H LYS 19 H LYS 19 -3.298 2.631 -7.394 170 HA LYS 19 HA LYS 19 -3.751 4.168 -9.833 171 1HB LYS 19 2HB LYS 19 -3.870 1.475 -10.141 172 2HB LYS 19 1HB LYS 19 -5.502 1.744 -9.547 173 1HG LYS 19 2HG LYS 19 -4.206 3.010 -11.978 174 2HG LYS 19 1HG LYS 19 -5.563 1.887 -11.962 175 1HD LYS 19 2HD LYS 19 -7.067 3.494 -11.236 176 2HD LYS 19 1HD LYS 19 -5.825 4.443 -10.427 177 1HE LYS 19 2HE LYS 19 -4.993 5.305 -12.519 178 2HE LYS 19 1HE LYS 19 -6.009 4.184 -13.445 179 1HZ LYS 19 1HZ LYS 19 -6.740 6.687 -12.644 180 2HZ LYS 19 2HZ LYS 19 -7.489 5.684 -11.497 181 3HZ LYS 19 3HZ LYS 19 -7.798 5.465 -13.153 182 H ASN 20 H ASN 20 -6.662 3.037 -9.237 183 HA ASN 20 HA ASN 20 -7.134 4.035 -6.530 184 1HB ASN 20 2HB ASN 20 -8.650 5.797 -7.140 185 2HB ASN 20 1HB ASN 20 -7.184 6.069 -8.110 186 1HD2 ASN 20 1HD2 ASN 20 -10.545 4.928 -8.271 187 2HD2 ASN 20 2HD2 ASN 20 -10.662 4.967 -9.965 188 H VAL 21 H VAL 21 -8.348 2.550 -5.754 189 HA VAL 21 HA VAL 21 -9.992 0.820 -7.482 190 HB VAL 21 HB VAL 21 -8.467 0.298 -5.432 191 1HG1 VAL 21 1HG1 VAL 21 -10.718 0.696 -3.643 192 2HG1 VAL 21 2HG1 VAL 21 -9.980 2.190 -4.224 193 3HG1 VAL 21 3HG1 VAL 21 -8.998 0.991 -3.385 194 1HG2 VAL 21 1HG2 VAL 21 -10.269 -1.296 -4.480 195 2HG2 VAL 21 2HG2 VAL 21 -9.621 -1.544 -6.100 196 3HG2 VAL 21 3HG2 VAL 21 -11.185 -0.759 -5.885 197 H ALA 22 H ALA 22 -11.953 0.727 -5.140 198 HA ALA 22 HA ALA 22 -13.547 3.050 -6.007 199 1HB ALA 22 1HB ALA 22 -15.200 1.823 -5.029 200 2HB ALA 22 2HB ALA 22 -14.364 1.886 -3.486 201 3HB ALA 22 3HB ALA 22 -13.991 0.603 -4.632 202 H ASP 23 H ASP 23 -12.704 5.001 -5.350 203 HA ASP 23 HA ASP 23 -10.690 5.685 -3.771 204 1HB ASP 23 2HB ASP 23 -13.438 6.837 -4.182 205 2HB ASP 23 1HB ASP 23 -12.330 7.654 -3.100 206 H GLY 24 H GLY 24 -13.807 4.503 -2.476 207 1HA GLY 24 2HA GLY 24 -12.793 4.966 0.284 208 2HA GLY 24 1HA GLY 24 -14.449 4.515 -0.129 209 H TYR 25 H TYR 25 -13.763 2.421 -1.945 210 HA TYR 25 HA TYR 25 -13.649 0.052 -0.426 211 1HB TYR 25 2HB TYR 25 -14.172 0.111 -2.779 212 2HB TYR 25 1HB TYR 25 -12.682 0.960 -3.138 213 HD1 TYR 25 HD1 TYR 25 -13.097 -1.007 -4.940 214 HD2 TYR 25 HD2 TYR 25 -11.624 -1.583 -0.950 215 HE1 TYR 25 HE1 TYR 25 -12.073 -3.145 -5.621 216 HE2 TYR 25 HE2 TYR 25 -10.623 -3.686 -1.650 217 HH TYR 25 HH TYR 25 -10.738 -4.798 -5.017 218 H ALA 26 H ALA 26 -11.125 1.703 -2.183 219 HA ALA 26 HA ALA 26 -8.726 0.523 -1.613 220 1HB ALA 26 1HB ALA 26 -9.535 3.434 -1.102 221 2HB ALA 26 2HB ALA 26 -9.058 2.762 -2.653 222 3HB ALA 26 3HB ALA 26 -7.875 2.901 -1.355 223 H ASN 27 H ASN 27 -10.031 2.888 0.760 224 HA ASN 27 HA ASN 27 -8.437 1.621 2.890 225 1HB ASN 27 2HB ASN 27 -8.919 4.156 2.334 226 2HB ASN 27 1HB ASN 27 -10.395 3.871 3.252 227 1HD2 ASN 27 1HD2 ASN 27 -10.171 4.512 5.319 228 2HD2 ASN 27 2HD2 ASN 27 -8.780 4.328 6.256 229 H ASN 28 H ASN 28 -10.283 -0.251 2.121 230 HA ASN 28 HA ASN 28 -11.988 -0.491 4.517 231 1HB ASN 28 2HB ASN 28 -12.929 0.712 2.195 232 2HB ASN 28 1HB ASN 28 -13.534 -0.941 2.082 233 1HD2 ASN 28 1HD2 ASN 28 -13.692 -1.336 5.013 234 2HD2 ASN 28 2HD2 ASN 28 -15.000 -0.400 5.557 235 H PHE 29 H PHE 29 -10.856 -1.824 1.443 236 HA PHE 29 HA PHE 29 -11.260 -4.589 2.540 237 1HB PHE 29 2HB PHE 29 -12.866 -4.201 0.793 238 2HB PHE 29 1HB PHE 29 -11.713 -3.291 -0.140 239 HD1 PHE 29 HD1 PHE 29 -10.293 -6.308 1.248 240 HD2 PHE 29 HD2 PHE 29 -12.579 -4.770 -2.029 241 HE1 PHE 29 HE1 PHE 29 -9.627 -8.247 -0.121 242 HE2 PHE 29 HE2 PHE 29 -11.930 -6.712 -3.402 243 HZ PHE 29 HZ PHE 29 -10.461 -8.474 -2.446 244 H LEU 30 H LEU 30 -9.297 -2.457 0.479 245 HA LEU 30 HA LEU 30 -7.220 -4.548 0.166 246 1HB LEU 30 2HB LEU 30 -7.133 -1.657 -0.753 247 2HB LEU 30 1HB LEU 30 -6.355 -3.055 -1.507 248 HG LEU 30 HG LEU 30 -9.302 -2.744 -1.186 249 1HD1 LEU 30 1HD1 LEU 30 -7.492 -1.777 -3.343 250 2HD1 LEU 30 2HD1 LEU 30 -9.014 -1.091 -2.770 251 3HD1 LEU 30 3HD1 LEU 30 -9.024 -2.492 -3.842 252 1HD2 LEU 30 1HD2 LEU 30 -9.308 -4.928 -1.779 253 2HD2 LEU 30 2HD2 LEU 30 -7.587 -4.878 -2.138 254 3HD2 LEU 30 3HD2 LEU 30 -8.753 -4.410 -3.371 255 H PHE 31 H PHE 31 -7.738 -1.508 1.740 256 HA PHE 31 HA PHE 31 -5.009 -1.313 2.751 257 1HB PHE 31 2HB PHE 31 -7.650 0.055 3.101 258 2HB PHE 31 1HB PHE 31 -6.171 0.642 3.836 259 HD1 PHE 31 HD1 PHE 31 -5.380 -1.009 0.732 260 HD2 PHE 31 HD2 PHE 31 -6.950 2.649 2.353 261 HE1 PHE 31 HE1 PHE 31 -4.735 0.222 -1.322 262 HE2 PHE 31 HE2 PHE 31 -6.301 3.847 0.305 263 HZ PHE 31 HZ PHE 31 -5.191 2.631 -1.533 264 H LYS 32 H LYS 32 -8.233 -1.759 4.293 265 HA LYS 32 HA LYS 32 -7.161 -2.198 6.927 266 1HB LYS 32 2HB LYS 32 -9.780 -2.580 5.504 267 2HB LYS 32 1HB LYS 32 -9.587 -3.202 7.145 268 1HG LYS 32 2HG LYS 32 -8.918 -0.980 7.937 269 2HG LYS 32 1HG LYS 32 -9.039 -0.343 6.296 270 1HD LYS 32 2HD LYS 32 -11.186 0.155 6.778 271 2HD LYS 32 1HD LYS 32 -11.500 -1.579 6.711 272 1HE LYS 32 2HE LYS 32 -12.278 -1.093 8.860 273 2HE LYS 32 1HE LYS 32 -10.584 -1.479 9.222 274 1HZ LYS 32 1HZ LYS 32 -10.781 0.597 10.160 275 2HZ LYS 32 2HZ LYS 32 -11.879 1.152 8.988 276 3HZ LYS 32 3HZ LYS 32 -10.229 1.004 8.608 277 H GLN 33 H GLN 33 -6.956 -4.163 4.212 278 HA GLN 33 HA GLN 33 -6.819 -6.630 5.924 279 1HB GLN 33 2HB GLN 33 -7.818 -6.042 3.174 280 2HB GLN 33 1HB GLN 33 -7.139 -7.639 3.475 281 1HG GLN 33 2HG GLN 33 -8.804 -7.054 5.683 282 2HG GLN 33 1HG GLN 33 -9.720 -6.609 4.242 283 1HE2 GLN 33 1HE2 GLN 33 -10.347 -8.311 2.775 284 2HE2 GLN 33 2HE2 GLN 33 -10.116 -9.953 3.139 285 H GLY 34 H GLY 34 -5.671 -6.839 2.667 286 1HA GLY 34 2HA GLY 34 -2.918 -6.089 3.296 287 2HA GLY 34 1HA GLY 34 -3.163 -7.832 3.196 288 H LEU 35 H LEU 35 -5.194 -5.933 1.134 289 HA LEU 35 HA LEU 35 -3.850 -7.054 -1.242 290 1HB LEU 35 2HB LEU 35 -6.148 -5.104 -0.979 291 2HB LEU 35 1HB LEU 35 -5.716 -5.995 -2.422 292 HG LEU 35 HG LEU 35 -6.001 -8.008 -0.581 293 1HD1 LEU 35 1HD1 LEU 35 -8.309 -6.116 -0.129 294 2HD1 LEU 35 2HD1 LEU 35 -6.952 -6.213 0.988 295 3HD1 LEU 35 3HD1 LEU 35 -7.968 -7.624 0.713 296 1HD2 LEU 35 1HD2 LEU 35 -7.675 -8.675 -2.031 297 2HD2 LEU 35 2HD2 LEU 35 -6.967 -7.385 -3.003 298 3HD2 LEU 35 3HD2 LEU 35 -8.421 -7.076 -2.055 299 H ALA 36 H ALA 36 -4.735 -3.823 -0.038 300 HA ALA 36 HA ALA 36 -2.369 -2.677 -1.490 301 1HB ALA 36 1HB ALA 36 -3.834 -1.012 -2.426 302 2HB ALA 36 2HB ALA 36 -5.186 -1.587 -1.450 303 3HB ALA 36 3HB ALA 36 -4.549 -2.591 -2.754 304 H ILE 37 H ILE 37 -2.342 -0.221 -1.003 305 HA ILE 37 HA ILE 37 -3.189 0.421 1.785 306 HB ILE 37 HB ILE 37 -0.900 1.362 2.180 307 1HG1 ILE 37 2HG1 ILE 37 -0.511 0.175 -0.553 308 2HG1 ILE 37 1HG1 ILE 37 -0.067 1.779 0.011 309 1HG2 ILE 37 1HG2 ILE 37 -1.680 -1.036 2.756 310 2HG2 ILE 37 2HG2 ILE 37 0.055 -0.721 2.764 311 3HG2 ILE 37 3HG2 ILE 37 -0.686 -1.543 1.390 312 1HD1 ILE 37 1HD1 ILE 37 1.352 -0.823 0.401 313 2HD1 ILE 37 2HD1 ILE 37 1.442 0.364 1.702 314 3HD1 ILE 37 3HD1 ILE 37 2.017 0.780 0.087 315 H GLU 38 H GLU 38 -3.130 2.799 2.125 316 HA GLU 38 HA GLU 38 -4.426 4.307 0.146 317 1HB GLU 38 2HB GLU 38 -3.499 6.254 1.535 318 2HB GLU 38 1HB GLU 38 -4.361 5.007 2.439 319 1HG GLU 38 2HG GLU 38 -2.418 4.146 3.374 320 2HG GLU 38 1HG GLU 38 -1.413 4.693 2.033 321 H ALA 39 H ALA 39 -3.604 4.575 -1.964 322 HA ALA 39 HA ALA 39 -0.865 4.604 -2.697 323 1HB ALA 39 1HB ALA 39 -2.640 4.613 -4.341 324 2HB ALA 39 2HB ALA 39 -1.706 6.089 -4.591 325 3HB ALA 39 3HB ALA 39 -3.252 6.153 -3.744 326 H THR 40 H THR 40 0.475 5.772 -1.191 327 HA THR 40 HA THR 40 -0.087 8.710 -0.938 328 HB THR 40 HB THR 40 0.166 8.002 1.241 329 HG1 THR 40 HG1 THR 40 2.603 8.022 1.656 330 1HG2 THR 40 1HG2 THR 40 1.936 6.150 1.782 331 2HG2 THR 40 2HG2 THR 40 1.835 5.794 0.059 332 3HG2 THR 40 3HG2 THR 40 0.397 5.674 1.070 333 HA PRO 41 HA PRO 41 3.210 9.757 -3.586 334 1HB PRO 41 2HB PRO 41 4.541 11.676 -2.160 335 2HB PRO 41 1HB PRO 41 3.021 11.993 -3.021 336 1HG PRO 41 2HG PRO 41 3.483 11.493 -0.123 337 2HG PRO 41 1HG PRO 41 2.367 12.617 -0.912 338 1HD PRO 41 2HD PRO 41 1.587 10.234 0.142 339 2HD PRO 41 1HD PRO 41 0.760 11.015 -1.218 340 H ALA 42 H ALA 42 4.325 9.834 -0.172 341 HA ALA 42 HA ALA 42 6.937 9.056 -0.333 342 1HB ALA 42 1HB ALA 42 4.766 7.919 1.461 343 2HB ALA 42 2HB ALA 42 5.715 9.375 1.759 344 3HB ALA 42 3HB ALA 42 6.496 7.795 1.788 345 H ASN 43 H ASN 43 4.204 6.708 -0.451 346 HA ASN 43 HA ASN 43 5.972 4.486 -1.123 347 1HB ASN 43 2HB ASN 43 3.592 4.648 0.048 348 2HB ASN 43 1HB ASN 43 3.014 4.479 -1.612 349 1HD2 ASN 43 1HD2 ASN 43 3.436 2.574 0.959 350 2HD2 ASN 43 2HD2 ASN 43 4.012 1.148 0.223 351 H LEU 44 H LEU 44 3.400 6.176 -2.966 352 HA LEU 44 HA LEU 44 3.629 4.955 -5.441 353 1HB LEU 44 2HB LEU 44 3.012 7.710 -4.448 354 2HB LEU 44 1HB LEU 44 3.187 7.489 -6.191 355 HG LEU 44 HG LEU 44 1.463 5.815 -6.237 356 1HD1 LEU 44 1HD1 LEU 44 0.320 5.126 -4.105 357 2HD1 LEU 44 2HD1 LEU 44 1.564 5.996 -3.214 358 3HD1 LEU 44 3HD1 LEU 44 2.001 4.605 -4.205 359 1HD2 LEU 44 1HD2 LEU 44 0.014 7.546 -6.257 360 2HD2 LEU 44 2HD2 LEU 44 0.986 8.442 -5.089 361 3HD2 LEU 44 3HD2 LEU 44 -0.220 7.283 -4.529 362 H LYS 45 H LYS 45 5.583 7.780 -4.371 363 HA LYS 45 HA LYS 45 7.271 7.869 -6.687 364 1HB LYS 45 2HB LYS 45 6.873 9.221 -4.248 365 2HB LYS 45 1HB LYS 45 8.552 8.688 -4.212 366 1HG LYS 45 2HG LYS 45 8.883 9.692 -6.473 367 2HG LYS 45 1HG LYS 45 7.231 10.304 -6.413 368 1HD LYS 45 2HD LYS 45 8.936 10.930 -4.063 369 2HD LYS 45 1HD LYS 45 9.362 11.743 -5.569 370 1HE LYS 45 2HE LYS 45 6.545 11.710 -4.436 371 2HE LYS 45 1HE LYS 45 7.702 13.028 -4.168 372 1HZ LYS 45 1HZ LYS 45 6.652 13.697 -6.098 373 2HZ LYS 45 2HZ LYS 45 6.491 12.114 -6.695 374 3HZ LYS 45 3HZ LYS 45 8.006 12.882 -6.715 375 H ALA 46 H ALA 46 7.197 5.781 -3.919 376 HA ALA 46 HA ALA 46 9.990 4.892 -4.144 377 1HB ALA 46 1HB ALA 46 9.463 3.673 -2.195 378 2HB ALA 46 2HB ALA 46 7.763 3.525 -2.636 379 3HB ALA 46 3HB ALA 46 8.399 5.072 -2.079 380 H LEU 47 H LEU 47 6.758 3.524 -4.873 381 HA LEU 47 HA LEU 47 7.319 0.942 -5.665 382 1HB LEU 47 2HB LEU 47 5.480 3.109 -6.483 383 2HB LEU 47 1HB LEU 47 5.661 1.818 -7.671 384 HG LEU 47 HG LEU 47 3.807 1.445 -5.986 385 1HD1 LEU 47 1HD1 LEU 47 5.934 -0.665 -5.673 386 2HD1 LEU 47 2HD1 LEU 47 5.191 -0.369 -7.243 387 3HD1 LEU 47 3HD1 LEU 47 4.195 -0.871 -5.876 388 1HD2 LEU 47 1HD2 LEU 47 6.052 0.843 -4.057 389 2HD2 LEU 47 2HD2 LEU 47 4.326 0.967 -3.718 390 3HD2 LEU 47 3HD2 LEU 47 5.258 2.417 -4.091 391 H GLU 48 H GLU 48 7.727 3.843 -7.722 392 HA GLU 48 HA GLU 48 8.755 2.623 -10.047 393 1HB GLU 48 2HB GLU 48 8.163 4.950 -9.988 394 2HB GLU 48 1HB GLU 48 9.289 5.269 -8.667 395 1HG GLU 48 2HG GLU 48 11.123 5.294 -10.050 396 2HG GLU 48 1HG GLU 48 10.433 4.111 -11.161 397 H ALA 49 H ALA 49 10.726 4.129 -7.452 398 HA ALA 49 HA ALA 49 13.275 3.379 -8.224 399 1HB ALA 49 1HB ALA 49 13.680 3.270 -5.704 400 2HB ALA 49 2HB ALA 49 11.935 3.439 -5.510 401 3HB ALA 49 3HB ALA 49 12.865 4.725 -6.280 402 H GLN 50 H GLN 50 10.899 1.330 -6.534 403 HA GLN 50 HA GLN 50 12.587 -0.934 -6.086 404 1HB GLN 50 2HB GLN 50 10.067 -0.151 -5.442 405 2HB GLN 50 1HB GLN 50 9.709 -1.344 -6.690 406 1HG GLN 50 2HG GLN 50 11.731 -2.489 -5.086 407 2HG GLN 50 1HG GLN 50 10.568 -1.778 -3.966 408 1HE2 GLN 50 1HE2 GLN 50 8.768 -3.053 -3.526 409 2HE2 GLN 50 2HE2 GLN 50 8.208 -4.320 -4.507 410 H LYS 51 H LYS 51 10.842 0.163 -8.944 411 HA LYS 51 HA LYS 51 11.166 -2.398 -10.366 412 1HB LYS 51 2HB LYS 51 10.084 0.358 -10.960 413 2HB LYS 51 1HB LYS 51 10.248 -0.848 -12.236 414 1HG LYS 51 2HG LYS 51 9.005 -1.994 -9.874 415 2HG LYS 51 1HG LYS 51 8.103 -0.592 -10.452 416 1HD LYS 51 2HD LYS 51 8.992 -2.899 -12.206 417 2HD LYS 51 1HD LYS 51 7.374 -2.725 -11.529 418 1HE LYS 51 2HE LYS 51 6.929 -1.610 -13.481 419 2HE LYS 51 1HE LYS 51 7.751 -0.254 -12.687 420 1HZ LYS 51 1HZ LYS 51 9.547 -2.209 -13.811 421 2HZ LYS 51 2HZ LYS 51 9.567 -0.515 -13.942 422 3HZ LYS 51 3HZ LYS 51 8.585 -1.437 -14.974 423 H GLN 52 H GLN 52 12.821 0.683 -10.103 424 HA GLN 52 HA GLN 52 14.422 0.303 -12.520 425 1HB GLN 52 2HB GLN 52 13.594 2.424 -11.032 426 2HB GLN 52 1HB GLN 52 15.233 2.220 -10.411 427 1HG GLN 52 2HG GLN 52 16.218 2.693 -12.446 428 2HG GLN 52 1HG GLN 52 14.831 2.119 -13.371 429 1HE2 GLN 52 1HE2 GLN 52 12.713 3.596 -12.366 430 2HE2 GLN 52 2HE2 GLN 52 12.991 5.256 -12.579 431 H LYS 53 H LYS 53 16.414 -0.638 -12.611 432 HA LYS 53 HA LYS 53 17.852 -1.222 -10.052 433 1HB LYS 53 2HB LYS 53 16.407 -3.060 -11.507 434 2HB LYS 53 1HB LYS 53 18.027 -3.264 -12.175 435 1HG LYS 53 2HG LYS 53 18.633 -4.423 -10.348 436 2HG LYS 53 1HG LYS 53 18.283 -3.014 -9.346 437 1HD LYS 53 2HD LYS 53 15.970 -3.673 -9.108 438 2HD LYS 53 1HD LYS 53 16.178 -4.986 -10.270 439 1HE LYS 53 2HE LYS 53 16.555 -6.271 -8.412 440 2HE LYS 53 1HE LYS 53 18.166 -5.520 -8.418 441 1HZ LYS 53 1HZ LYS 53 17.120 -5.134 -6.293 442 2HZ LYS 53 2HZ LYS 53 15.739 -4.489 -7.043 443 3HZ LYS 53 3HZ LYS 53 17.222 -3.666 -7.134 444 H GLU 54 H GLU 54 19.861 -0.315 -10.222 445 HA GLU 54 HA GLU 54 21.381 -0.625 -12.747 446 1HB GLU 54 2HB GLU 54 19.908 1.708 -12.037 447 2HB GLU 54 1HB GLU 54 21.621 2.097 -11.875 448 1HG GLU 54 2HG GLU 54 21.746 2.293 -14.112 449 2HG GLU 54 1HG GLU 54 21.377 0.573 -14.247 450 H GLN 55 H GLN 55 23.434 -1.153 -12.196 451 HA GLN 55 HA GLN 55 24.710 0.106 -9.824 452 1HB GLN 55 2HB GLN 55 23.692 -1.861 -8.880 453 2HB GLN 55 1HB GLN 55 24.181 -2.849 -10.257 454 1HG GLN 55 2HG GLN 55 26.431 -1.502 -8.934 455 2HG GLN 55 1HG GLN 55 25.579 -2.640 -7.888 456 1HE2 GLN 55 1HE2 GLN 55 25.173 -4.883 -8.938 457 2HE2 GLN 55 2HE2 GLN 55 26.391 -5.494 -9.949 458 H ARG 56 HN ARG 56 24.946 -2.159 -12.539 459 HA ARG 56 HA ARG 56 27.757 -2.330 -12.818 460 1HB ARG 56 2HB ARG 56 25.685 -3.467 -13.968 461 2HB ARG 56 1HB ARG 56 25.837 -2.151 -15.133 462 1HG ARG 56 2HG ARG 56 28.399 -3.453 -14.491 463 2HG ARG 56 1HG ARG 56 27.230 -4.532 -15.254 464 1HD ARG 56 2HD ARG 56 27.960 -3.609 -17.213 465 2HD ARG 56 1HD ARG 56 26.972 -2.208 -16.747 466 HE ARG 56 HE ARG 56 28.978 -1.201 -15.747 467 1HH1 ARG 56 1HH2 ARG 56 30.590 -3.605 -15.149 468 2HH1 ARG 56 2HH2 ARG 56 31.772 -3.602 -16.415 469 1HH2 ARG 56 1HH1 ARG 56 29.989 -1.405 -18.426 470 2HH2 ARG 56 2HH1 ARG 56 31.432 -2.350 -18.275 Start of MODEL 16 1 1H MET 1 1H MET 1 -8.769 8.349 -3.825 2 2H MET 1 2H MET 1 -8.930 9.284 -2.417 3 3H MET 1 3H MET 1 -9.826 7.854 -2.597 4 HA MET 1 HA MET 1 -7.133 8.204 -1.646 5 1HB MET 1 2HB MET 1 -9.238 7.176 -0.575 6 2HB MET 1 1HB MET 1 -8.994 5.807 -1.668 7 1HG MET 1 2HG MET 1 -7.600 4.971 -0.110 8 2HG MET 1 1HG MET 1 -6.467 6.231 -0.597 9 1HE MET 1 1HE MET 1 -7.720 5.321 3.308 10 2HE MET 1 2HE MET 1 -6.089 5.409 2.649 11 3HE MET 1 3HE MET 1 -7.318 4.462 1.817 12 H LYS 2 H LYS 2 -5.850 8.189 -3.727 13 HA LYS 2 HA LYS 2 -6.022 6.207 -5.716 14 1HB LYS 2 2HB LYS 2 -3.941 8.008 -4.593 15 2HB LYS 2 1HB LYS 2 -3.326 6.622 -5.492 16 1HG LYS 2 2HG LYS 2 -4.136 7.361 -7.484 17 2HG LYS 2 1HG LYS 2 -5.575 8.075 -6.756 18 1HD LYS 2 2HD LYS 2 -3.276 9.480 -5.782 19 2HD LYS 2 1HD LYS 2 -3.173 9.392 -7.541 20 1HE LYS 2 2HE LYS 2 -5.867 9.980 -7.043 21 2HE LYS 2 1HE LYS 2 -4.965 10.996 -5.901 22 1HZ LYS 2 1HZ LYS 2 -3.615 11.831 -7.632 23 2HZ LYS 2 2HZ LYS 2 -5.213 11.941 -8.201 24 3HZ LYS 2 3HZ LYS 2 -4.198 10.695 -8.750 25 H VAL 3 H VAL 3 -4.824 4.037 -5.843 26 HA VAL 3 HA VAL 3 -4.284 3.011 -3.100 27 HB VAL 3 HB VAL 3 -6.094 2.315 -5.346 28 1HG1 VAL 3 1HG1 VAL 3 -5.252 0.205 -5.187 29 2HG1 VAL 3 2HG1 VAL 3 -6.491 0.141 -3.929 30 3HG1 VAL 3 3HG1 VAL 3 -4.793 0.370 -3.496 31 1HG2 VAL 3 1HG2 VAL 3 -6.891 1.861 -2.599 32 2HG2 VAL 3 2HG2 VAL 3 -7.604 2.906 -3.825 33 3HG2 VAL 3 3HG2 VAL 3 -6.258 3.487 -2.855 34 H ILE 4 H ILE 4 -2.535 1.762 -2.848 35 HA ILE 4 HA ILE 4 -0.907 0.908 -5.173 36 HB ILE 4 HB ILE 4 -0.621 1.529 -2.266 37 1HG1 ILE 4 2HG1 ILE 4 0.400 2.405 -4.810 38 2HG1 ILE 4 1HG1 ILE 4 0.578 3.179 -3.246 39 1HG2 ILE 4 1HG2 ILE 4 0.938 -0.616 -3.669 40 2HG2 ILE 4 2HG2 ILE 4 0.113 -0.683 -2.114 41 3HG2 ILE 4 3HG2 ILE 4 1.587 0.260 -2.283 42 1HD1 ILE 4 1HD1 ILE 4 2.403 1.131 -4.524 43 2HD1 ILE 4 2HD1 ILE 4 2.489 1.525 -2.807 44 3HD1 ILE 4 3HD1 ILE 4 2.801 2.772 -4.016 45 H PHE 5 H PHE 5 -1.738 -1.119 -5.875 46 HA PHE 5 HA PHE 5 -2.778 -3.051 -3.866 47 1HB PHE 5 2HB PHE 5 -2.469 -2.909 -6.833 48 2HB PHE 5 1HB PHE 5 -2.661 -4.466 -6.080 49 HD1 PHE 5 HD1 PHE 5 -4.597 -2.627 -7.971 50 HD2 PHE 5 HD2 PHE 5 -4.493 -3.777 -3.842 51 HE1 PHE 5 HE1 PHE 5 -7.064 -2.532 -7.886 52 HE2 PHE 5 HE2 PHE 5 -6.926 -3.653 -3.767 53 HZ PHE 5 HZ PHE 5 -8.234 -3.026 -5.764 54 H LEU 6 H LEU 6 -1.320 -4.458 -2.871 55 HA LEU 6 HA LEU 6 1.452 -4.509 -3.747 56 1HB LEU 6 2HB LEU 6 0.083 -6.256 -1.701 57 2HB LEU 6 1HB LEU 6 1.770 -5.769 -1.741 58 HG LEU 6 HG LEU 6 1.109 -4.219 -0.254 59 1HD1 LEU 6 1HD1 LEU 6 1.306 -3.038 -2.618 60 2HD1 LEU 6 2HD1 LEU 6 0.877 -2.138 -1.164 61 3HD1 LEU 6 3HD1 LEU 6 -0.383 -2.662 -2.280 62 1HD2 LEU 6 1HD2 LEU 6 -1.454 -3.396 -0.476 63 2HD2 LEU 6 2HD2 LEU 6 -0.947 -4.784 0.482 64 3HD2 LEU 6 3HD2 LEU 6 -1.569 -5.022 -1.147 65 H LYS 7 H LYS 7 -1.336 -6.712 -4.090 66 HA LYS 7 HA LYS 7 0.574 -8.811 -5.165 67 1HB LYS 7 2HB LYS 7 -2.002 -8.787 -3.687 68 2HB LYS 7 1HB LYS 7 -1.752 -10.129 -4.796 69 1HG LYS 7 2HG LYS 7 -0.217 -11.080 -3.468 70 2HG LYS 7 1HG LYS 7 0.644 -9.554 -3.266 71 1HD LYS 7 2HD LYS 7 -1.186 -8.884 -1.622 72 2HD LYS 7 1HD LYS 7 -1.731 -10.560 -1.684 73 1HE LYS 7 2HE LYS 7 -0.199 -10.992 -0.063 74 2HE LYS 7 1HE LYS 7 1.050 -10.731 -1.295 75 1HZ LYS 7 1HZ LYS 7 0.343 -8.221 -0.739 76 2HZ LYS 7 2HZ LYS 7 1.624 -9.022 0.038 77 3HZ LYS 7 3HZ LYS 7 0.100 -8.934 0.780 78 H ASP 8 H ASP 8 -1.868 -10.216 -6.415 79 HA ASP 8 HA ASP 8 -1.765 -8.741 -9.001 80 1HB ASP 8 2HB ASP 8 -1.218 -11.059 -9.192 81 2HB ASP 8 1HB ASP 8 -2.560 -11.534 -8.155 82 H VAL 9 H VAL 9 -3.835 -8.261 -10.110 83 HA VAL 9 HA VAL 9 -5.810 -7.435 -8.188 84 HB VAL 9 HB VAL 9 -4.709 -6.554 -10.483 85 1HG1 VAL 9 1HG1 VAL 9 -6.332 -6.401 -12.165 86 2HG1 VAL 9 2HG1 VAL 9 -7.653 -6.729 -11.043 87 3HG1 VAL 9 3HG1 VAL 9 -6.586 -8.036 -11.556 88 1HG2 VAL 9 1HG2 VAL 9 -5.262 -4.926 -9.000 89 2HG2 VAL 9 2HG2 VAL 9 -6.762 -5.723 -8.528 90 3HG2 VAL 9 3HG2 VAL 9 -6.694 -4.786 -10.020 91 H LYS 10 H LYS 10 -5.589 -10.263 -9.906 92 HA LYS 10 HA LYS 10 -8.449 -10.617 -10.408 93 1HB LYS 10 2HB LYS 10 -6.129 -12.564 -10.086 94 2HB LYS 10 1HB LYS 10 -7.731 -13.009 -10.673 95 1HG LYS 10 2HG LYS 10 -5.735 -11.149 -11.983 96 2HG LYS 10 1HG LYS 10 -6.384 -12.659 -12.624 97 1HD LYS 10 2HD LYS 10 -7.974 -10.130 -12.102 98 2HD LYS 10 1HD LYS 10 -7.483 -10.728 -13.683 99 1HE LYS 10 2HE LYS 10 -9.330 -12.033 -13.763 100 2HE LYS 10 1HE LYS 10 -8.801 -12.869 -12.291 101 1HZ LYS 10 1HZ LYS 10 -10.965 -11.270 -12.430 102 2HZ LYS 10 2HZ LYS 10 -9.790 -10.189 -11.857 103 3HZ LYS 10 3HZ LYS 10 -10.122 -11.621 -11.002 104 H GLY 11 H GLY 11 -8.433 -9.515 -7.975 105 1HA GLY 11 2HA GLY 11 -9.675 -10.113 -5.987 106 2HA GLY 11 1HA GLY 11 -9.039 -11.749 -6.118 107 H LYS 12 H LYS 12 -6.751 -9.159 -6.593 108 HA LYS 12 HA LYS 12 -5.927 -9.198 -3.731 109 1HB LYS 12 2HB LYS 12 -4.698 -10.672 -5.960 110 2HB LYS 12 1HB LYS 12 -3.556 -9.763 -4.972 111 1HG LYS 12 2HG LYS 12 -3.835 -11.135 -3.185 112 2HG LYS 12 1HG LYS 12 -5.581 -11.219 -3.412 113 1HD LYS 12 2HD LYS 12 -4.857 -13.423 -3.854 114 2HD LYS 12 1HD LYS 12 -5.040 -12.714 -5.458 115 1HE LYS 12 2HE LYS 12 -2.917 -13.722 -5.600 116 2HE LYS 12 1HE LYS 12 -2.500 -12.059 -5.145 117 1HZ LYS 12 1HZ LYS 12 -1.808 -14.263 -3.732 118 2HZ LYS 12 2HZ LYS 12 -3.200 -13.740 -2.910 119 3HZ LYS 12 3HZ LYS 12 -1.878 -12.691 -3.104 120 H GLY 13 H GLY 13 -5.761 -7.708 -6.872 121 1HA GLY 13 2HA GLY 13 -5.425 -5.282 -7.121 122 2HA GLY 13 1HA GLY 13 -4.357 -5.372 -5.726 123 H LYS 14 H LYS 14 -3.458 -4.285 -8.315 124 HA LYS 14 HA LYS 14 -1.863 -6.503 -9.461 125 1HB LYS 14 2HB LYS 14 -2.007 -3.538 -10.033 126 2HB LYS 14 1HB LYS 14 -1.012 -4.657 -10.941 127 1HG LYS 14 2HG LYS 14 -3.072 -5.962 -11.501 128 2HG LYS 14 1HG LYS 14 -4.031 -4.706 -10.713 129 1HD LYS 14 2HD LYS 14 -2.705 -3.078 -12.286 130 2HD LYS 14 1HD LYS 14 -2.397 -4.532 -13.235 131 1HE LYS 14 2HE LYS 14 -4.417 -4.098 -14.206 132 2HE LYS 14 1HE LYS 14 -5.122 -4.698 -12.690 133 1HZ LYS 14 1HZ LYS 14 -5.845 -2.414 -13.249 134 2HZ LYS 14 2HZ LYS 14 -4.230 -1.898 -13.139 135 3HZ LYS 14 3HZ LYS 14 -5.028 -2.502 -11.766 136 H LYS 15 H LYS 15 0.381 -6.672 -9.268 137 HA LYS 15 HA LYS 15 1.775 -6.363 -7.018 138 1HB LYS 15 2HB LYS 15 3.748 -6.361 -8.351 139 2HB LYS 15 1HB LYS 15 2.511 -7.097 -9.372 140 1HG LYS 15 2HG LYS 15 3.400 -4.202 -9.446 141 2HG LYS 15 1HG LYS 15 3.769 -5.431 -10.646 142 1HD LYS 15 2HD LYS 15 1.331 -5.703 -11.093 143 2HD LYS 15 1HD LYS 15 0.983 -4.390 -9.963 144 1HE LYS 15 2HE LYS 15 1.039 -3.308 -12.073 145 2HE LYS 15 1HE LYS 15 2.670 -3.021 -11.436 146 1HZ LYS 15 1HZ LYS 15 2.289 -5.557 -12.789 147 2HZ LYS 15 2HZ LYS 15 3.591 -4.468 -12.869 148 3HZ LYS 15 3HZ LYS 15 2.193 -4.194 -13.794 149 H GLY 16 H GLY 16 2.091 -4.726 -5.605 150 1HA GLY 16 2HA GLY 16 1.628 -2.429 -4.882 151 2HA GLY 16 1HA GLY 16 3.265 -2.352 -5.501 152 H GLU 17 H GLU 17 0.030 -2.472 -7.084 153 HA GLU 17 HA GLU 17 0.949 -0.445 -9.021 154 1HB GLU 17 2HB GLU 17 -0.641 -1.393 -10.326 155 2HB GLU 17 1HB GLU 17 -0.769 -2.621 -9.072 156 1HG GLU 17 2HG GLU 17 -2.657 -1.529 -8.068 157 2HG GLU 17 1HG GLU 17 -2.396 -0.062 -9.008 158 H ILE 18 H ILE 18 0.635 1.700 -8.694 159 HA ILE 18 HA ILE 18 -1.343 2.476 -6.579 160 HB ILE 18 HB ILE 18 0.592 4.402 -7.787 161 1HG1 ILE 18 2HG1 ILE 18 1.998 3.281 -5.654 162 2HG1 ILE 18 1HG1 ILE 18 1.430 1.888 -6.571 163 1HG2 ILE 18 1HG2 ILE 18 0.447 4.243 -4.913 164 2HG2 ILE 18 2HG2 ILE 18 -1.171 4.256 -5.605 165 3HG2 ILE 18 3HG2 ILE 18 -0.044 5.558 -5.975 166 1HD1 ILE 18 1HD1 ILE 18 2.434 4.048 -8.279 167 2HD1 ILE 18 2HD1 ILE 18 2.824 2.330 -8.302 168 3HD1 ILE 18 3HD1 ILE 18 3.661 3.408 -7.185 169 H LYS 19 H LYS 19 -3.141 3.319 -7.242 170 HA LYS 19 HA LYS 19 -3.349 5.263 -9.408 171 1HB LYS 19 2HB LYS 19 -3.465 2.582 -10.075 172 2HB LYS 19 1HB LYS 19 -5.164 2.947 -9.805 173 1HG LYS 19 2HG LYS 19 -4.920 4.924 -11.337 174 2HG LYS 19 1HG LYS 19 -3.275 4.388 -11.685 175 1HD LYS 19 2HD LYS 19 -5.852 2.906 -12.259 176 2HD LYS 19 1HD LYS 19 -4.680 3.511 -13.429 177 1HE LYS 19 2HE LYS 19 -3.805 1.403 -13.350 178 2HE LYS 19 1HE LYS 19 -3.123 1.902 -11.788 179 1HZ LYS 19 1HZ LYS 19 -5.528 0.328 -12.346 180 2HZ LYS 19 2HZ LYS 19 -5.566 1.378 -11.011 181 3HZ LYS 19 3HZ LYS 19 -4.391 0.154 -11.100 182 H ASN 20 H ASN 20 -6.354 4.058 -9.232 183 HA ASN 20 HA ASN 20 -6.920 4.638 -6.418 184 1HB ASN 20 2HB ASN 20 -8.389 6.515 -6.805 185 2HB ASN 20 1HB ASN 20 -6.839 6.887 -7.591 186 1HD2 ASN 20 1HD2 ASN 20 -10.090 7.104 -8.159 187 2HD2 ASN 20 2HD2 ASN 20 -10.099 6.969 -9.852 188 H VAL 21 H VAL 21 -8.218 3.182 -5.832 189 HA VAL 21 HA VAL 21 -9.945 1.725 -7.733 190 HB VAL 21 HB VAL 21 -8.468 0.911 -5.719 191 1HG1 VAL 21 1HG1 VAL 21 -10.730 1.219 -3.926 192 2HG1 VAL 21 2HG1 VAL 21 -9.916 2.731 -4.327 193 3HG1 VAL 21 3HG1 VAL 21 -9.004 1.402 -3.614 194 1HG2 VAL 21 1HG2 VAL 21 -10.319 -0.713 -4.991 195 2HG2 VAL 21 2HG2 VAL 21 -9.714 -0.766 -6.647 196 3HG2 VAL 21 3HG2 VAL 21 -11.240 0.048 -6.291 197 H ALA 22 H ALA 22 -11.899 1.522 -5.367 198 HA ALA 22 HA ALA 22 -13.340 4.034 -5.978 199 1HB ALA 22 1HB ALA 22 -14.302 2.658 -3.637 200 2HB ALA 22 2HB ALA 22 -13.957 1.472 -4.891 201 3HB ALA 22 3HB ALA 22 -15.081 2.791 -5.207 202 H ASP 23 H ASP 23 -12.378 5.823 -5.086 203 HA ASP 23 HA ASP 23 -10.357 6.171 -3.403 204 1HB ASP 23 2HB ASP 23 -12.984 7.565 -3.789 205 2HB ASP 23 1HB ASP 23 -11.906 8.165 -2.545 206 H GLY 24 H GLY 24 -13.580 5.091 -2.297 207 1HA GLY 24 2HA GLY 24 -12.622 5.175 0.525 208 2HA GLY 24 1HA GLY 24 -14.293 4.888 0.027 209 H TYR 25 H TYR 25 -13.703 2.982 -2.006 210 HA TYR 25 HA TYR 25 -13.773 0.452 -0.764 211 1HB TYR 25 2HB TYR 25 -14.245 0.792 -3.102 212 2HB TYR 25 1HB TYR 25 -12.701 1.586 -3.345 213 HD1 TYR 25 HD1 TYR 25 -13.142 -0.136 -5.363 214 HD2 TYR 25 HD2 TYR 25 -11.868 -1.247 -1.418 215 HE1 TYR 25 HE1 TYR 25 -12.237 -2.253 -6.244 216 HE2 TYR 25 HE2 TYR 25 -10.969 -3.304 -2.309 217 HH TYR 25 HH TYR 25 -10.479 -3.904 -5.573 218 H ALA 26 H ALA 26 -11.112 2.096 -2.311 219 HA ALA 26 HA ALA 26 -8.843 0.691 -1.894 220 1HB ALA 26 1HB ALA 26 -8.974 3.038 -2.637 221 2HB ALA 26 2HB ALA 26 -7.807 2.933 -1.323 222 3HB ALA 26 3HB ALA 26 -9.426 3.560 -1.019 223 H ASN 27 H ASN 27 -10.096 2.695 0.856 224 HA ASN 27 HA ASN 27 -8.415 1.130 2.713 225 1HB ASN 27 2HB ASN 27 -8.988 2.891 4.254 226 2HB ASN 27 1HB ASN 27 -8.746 3.653 2.684 227 1HD2 ASN 27 1HD2 ASN 27 -10.285 5.161 2.269 228 2HD2 ASN 27 2HD2 ASN 27 -11.910 5.033 2.697 229 H ASN 28 H ASN 28 -11.213 0.186 1.418 230 HA ASN 28 HA ASN 28 -12.286 -0.751 4.063 231 1HB ASN 28 2HB ASN 28 -13.535 1.014 2.486 232 2HB ASN 28 1HB ASN 28 -14.057 -0.459 1.666 233 1HD2 ASN 28 1HD2 ASN 28 -14.790 1.606 4.277 234 2HD2 ASN 28 2HD2 ASN 28 -15.813 0.558 5.134 235 H PHE 29 H PHE 29 -10.591 -1.825 1.537 236 HA PHE 29 HA PHE 29 -11.567 -4.589 1.845 237 1HB PHE 29 2HB PHE 29 -13.107 -3.824 0.125 238 2HB PHE 29 1HB PHE 29 -11.831 -2.956 -0.693 239 HD1 PHE 29 HD1 PHE 29 -12.889 -4.272 -2.701 240 HD2 PHE 29 HD2 PHE 29 -10.630 -6.149 0.423 241 HE1 PHE 29 HE1 PHE 29 -12.352 -6.148 -4.208 242 HE2 PHE 29 HE2 PHE 29 -10.083 -8.011 -1.083 243 HZ PHE 29 HZ PHE 29 -10.959 -8.036 -3.401 244 H LEU 30 H LEU 30 -9.604 -2.518 -0.273 245 HA LEU 30 HA LEU 30 -7.649 -4.594 -0.770 246 1HB LEU 30 2HB LEU 30 -7.379 -1.617 -1.236 247 2HB LEU 30 1HB LEU 30 -6.651 -2.926 -2.165 248 HG LEU 30 HG LEU 30 -9.563 -2.450 -1.859 249 1HD1 LEU 30 1HD1 LEU 30 -7.619 -1.463 -3.861 250 2HD1 LEU 30 2HD1 LEU 30 -9.131 -0.738 -3.318 251 3HD1 LEU 30 3HD1 LEU 30 -9.154 -2.047 -4.496 252 1HD2 LEU 30 1HD2 LEU 30 -9.823 -4.542 -2.711 253 2HD2 LEU 30 2HD2 LEU 30 -8.080 -4.703 -2.868 254 3HD2 LEU 30 3HD2 LEU 30 -9.020 -3.994 -4.180 255 H PHE 31 H PHE 31 -7.812 -1.741 1.195 256 HA PHE 31 HA PHE 31 -5.081 -1.982 2.174 257 1HB PHE 31 2HB PHE 31 -7.536 -0.433 2.967 258 2HB PHE 31 1HB PHE 31 -5.920 -0.107 3.546 259 HD1 PHE 31 HD1 PHE 31 -6.466 2.155 2.642 260 HD2 PHE 31 HD2 PHE 31 -5.934 -1.221 0.022 261 HE1 PHE 31 HE1 PHE 31 -6.036 3.691 0.773 262 HE2 PHE 31 HE2 PHE 31 -5.524 0.360 -1.840 263 HZ PHE 31 HZ PHE 31 -5.546 2.784 -1.452 264 H LYS 32 H LYS 32 -8.123 -1.857 4.007 265 HA LYS 32 HA LYS 32 -7.256 -2.900 6.434 266 1HB LYS 32 2HB LYS 32 -9.842 -2.895 4.905 267 2HB LYS 32 1HB LYS 32 -9.768 -3.674 6.484 268 1HG LYS 32 2HG LYS 32 -9.035 -0.795 5.876 269 2HG LYS 32 1HG LYS 32 -10.464 -1.346 6.751 270 1HD LYS 32 2HD LYS 32 -8.213 -2.557 7.993 271 2HD LYS 32 1HD LYS 32 -7.830 -0.849 7.777 272 1HE LYS 32 2HE LYS 32 -8.999 -1.226 9.938 273 2HE LYS 32 1HE LYS 32 -9.996 -0.242 8.850 274 1HZ LYS 32 1HZ LYS 32 -11.538 -1.821 8.848 275 2HZ LYS 32 2HZ LYS 32 -10.619 -2.743 9.940 276 3HZ LYS 32 3HZ LYS 32 -10.424 -2.959 8.267 277 H GLN 33 H GLN 33 -7.621 -4.702 3.469 278 HA GLN 33 HA GLN 33 -7.680 -7.259 5.020 279 1HB GLN 33 2HB GLN 33 -8.147 -6.707 2.077 280 2HB GLN 33 1HB GLN 33 -8.436 -8.232 2.905 281 1HG GLN 33 2HG GLN 33 -9.804 -5.617 3.601 282 2HG GLN 33 1HG GLN 33 -10.518 -6.882 2.600 283 1HE2 GLN 33 1HE2 GLN 33 -12.104 -6.599 4.645 284 2HE2 GLN 33 2HE2 GLN 33 -11.815 -7.689 5.914 285 H GLY 34 H GLY 34 -6.394 -7.006 1.738 286 1HA GLY 34 2HA GLY 34 -3.616 -6.889 2.439 287 2HA GLY 34 1HA GLY 34 -4.113 -8.572 2.280 288 H LEU 35 H LEU 35 -5.293 -5.806 0.382 289 HA LEU 35 HA LEU 35 -4.286 -7.191 -2.081 290 1HB LEU 35 2HB LEU 35 -6.418 -5.062 -1.772 291 2HB LEU 35 1HB LEU 35 -6.079 -5.991 -3.216 292 HG LEU 35 HG LEU 35 -6.567 -8.045 -1.616 293 1HD1 LEU 35 1HD1 LEU 35 -8.671 -6.350 -0.462 294 2HD1 LEU 35 2HD1 LEU 35 -7.063 -6.028 0.180 295 3HD1 LEU 35 3HD1 LEU 35 -7.745 -7.648 0.287 296 1HD2 LEU 35 1HD2 LEU 35 -8.883 -6.363 -2.578 297 2HD2 LEU 35 2HD2 LEU 35 -8.749 -8.122 -2.576 298 3HD2 LEU 35 3HD2 LEU 35 -7.793 -7.165 -3.708 299 H ALA 36 H ALA 36 -4.872 -3.959 -0.693 300 HA ALA 36 HA ALA 36 -2.401 -2.901 -2.015 301 1HB ALA 36 1HB ALA 36 -3.696 -1.618 -3.376 302 2HB ALA 36 2HB ALA 36 -4.535 -0.986 -1.975 303 3HB ALA 36 3HB ALA 36 -5.110 -2.445 -2.743 304 H ILE 37 H ILE 37 -2.626 -0.334 -1.403 305 HA ILE 37 HA ILE 37 -3.399 0.058 1.427 306 HB ILE 37 HB ILE 37 -1.209 0.789 2.098 307 1HG1 ILE 37 2HG1 ILE 37 0.080 0.185 -0.511 308 2HG1 ILE 37 1HG1 ILE 37 -0.845 1.678 -0.427 309 1HG2 ILE 37 1HG2 ILE 37 -1.510 -1.633 2.088 310 2HG2 ILE 37 2HG2 ILE 37 0.158 -1.231 1.676 311 3HG2 ILE 37 3HG2 ILE 37 -0.973 -1.710 0.410 312 1HD1 ILE 37 1HD1 ILE 37 1.124 0.987 1.738 313 2HD1 ILE 37 2HD1 ILE 37 0.506 2.571 1.271 314 3HD1 ILE 37 3HD1 ILE 37 1.670 1.741 0.239 315 H GLU 38 H GLU 38 -3.018 2.513 1.908 316 HA GLU 38 HA GLU 38 -4.429 4.052 -0.091 317 1HB GLU 38 2HB GLU 38 -4.089 5.866 1.493 318 2HB GLU 38 1HB GLU 38 -4.397 4.389 2.408 319 1HG GLU 38 2HG GLU 38 -1.805 4.121 2.400 320 2HG GLU 38 1HG GLU 38 -1.793 5.836 1.989 321 H ALA 39 H ALA 39 -3.480 4.589 -2.056 322 HA ALA 39 HA ALA 39 -0.686 4.630 -2.566 323 1HB ALA 39 1HB ALA 39 -1.297 6.130 -4.456 324 2HB ALA 39 2HB ALA 39 -2.868 6.390 -3.706 325 3HB ALA 39 3HB ALA 39 -2.430 4.788 -4.294 326 H THR 40 H THR 40 0.533 5.646 -0.888 327 HA THR 40 HA THR 40 0.018 8.571 -0.462 328 HB THR 40 HB THR 40 0.075 7.709 1.683 329 HG1 THR 40 HG1 THR 40 1.797 8.713 2.268 330 1HG2 THR 40 1HG2 THR 40 1.614 5.753 2.290 331 2HG2 THR 40 2HG2 THR 40 1.888 5.566 0.558 332 3HG2 THR 40 3HG2 THR 40 0.270 5.375 1.223 333 HA PRO 41 HA PRO 41 3.607 9.656 -2.697 334 1HB PRO 41 2HB PRO 41 4.825 11.430 -1.011 335 2HB PRO 41 1HB PRO 41 3.419 11.864 -2.003 336 1HG PRO 41 2HG PRO 41 3.553 11.145 0.881 337 2HG PRO 41 1HG PRO 41 2.568 12.371 0.067 338 1HD PRO 41 2HD PRO 41 1.591 9.957 0.853 339 2HD PRO 41 1HD PRO 41 0.949 10.860 -0.531 340 H ALA 42 H ALA 42 4.085 9.285 0.824 341 HA ALA 42 HA ALA 42 6.694 8.547 1.122 342 1HB ALA 42 1HB ALA 42 4.837 6.593 2.312 343 2HB ALA 42 2HB ALA 42 4.345 8.272 2.541 344 3HB ALA 42 3HB ALA 42 5.926 7.731 3.107 345 H ASN 43 H ASN 43 4.129 6.358 -0.099 346 HA ASN 43 HA ASN 43 6.160 4.303 -0.750 347 1HB ASN 43 2HB ASN 43 3.434 4.405 -0.023 348 2HB ASN 43 1HB ASN 43 3.463 3.793 -1.677 349 1HD2 ASN 43 1HD2 ASN 43 3.175 2.513 1.214 350 2HD2 ASN 43 2HD2 ASN 43 4.201 1.154 1.110 351 H LEU 44 H LEU 44 3.733 6.277 -2.513 352 HA LEU 44 HA LEU 44 3.965 5.445 -5.106 353 1HB LEU 44 2HB LEU 44 3.605 8.031 -3.725 354 2HB LEU 44 1HB LEU 44 4.133 8.180 -5.401 355 HG LEU 44 HG LEU 44 1.620 8.111 -5.089 356 1HD1 LEU 44 1HD1 LEU 44 1.575 5.953 -6.765 357 2HD1 LEU 44 2HD1 LEU 44 3.275 6.411 -6.853 358 3HD1 LEU 44 3HD1 LEU 44 2.023 7.583 -7.268 359 1HD2 LEU 44 1HD2 LEU 44 0.559 6.163 -4.339 360 2HD2 LEU 44 2HD2 LEU 44 1.946 6.271 -3.262 361 3HD2 LEU 44 3HD2 LEU 44 1.981 5.163 -4.630 362 H LYS 45 H LYS 45 6.439 7.333 -3.375 363 HA LYS 45 HA LYS 45 8.159 7.527 -5.742 364 1HB LYS 45 2HB LYS 45 8.300 8.211 -2.808 365 2HB LYS 45 1HB LYS 45 9.724 8.371 -3.839 366 1HG LYS 45 2HG LYS 45 7.814 9.583 -5.379 367 2HG LYS 45 1HG LYS 45 7.265 10.005 -3.757 368 1HD LYS 45 2HD LYS 45 8.758 11.738 -4.152 369 2HD LYS 45 1HD LYS 45 9.834 10.562 -3.394 370 1HE LYS 45 2HE LYS 45 9.810 9.854 -6.116 371 2HE LYS 45 1HE LYS 45 9.928 11.625 -6.095 372 1HZ LYS 45 1HZ LYS 45 11.644 9.682 -4.649 373 2HZ LYS 45 2HZ LYS 45 11.634 11.346 -4.302 374 3HZ LYS 45 3HZ LYS 45 12.121 10.798 -5.834 375 H ALA 46 H ALA 46 7.816 5.434 -2.940 376 HA ALA 46 HA ALA 46 10.378 4.083 -3.225 377 1HB ALA 46 1HB ALA 46 9.443 2.669 -1.487 378 2HB ALA 46 2HB ALA 46 7.807 3.203 -1.878 379 3HB ALA 46 3HB ALA 46 8.953 4.330 -1.152 380 H LEU 47 H LEU 47 7.064 3.528 -4.346 381 HA LEU 47 HA LEU 47 7.183 0.864 -5.209 382 1HB LEU 47 2HB LEU 47 5.718 3.336 -5.837 383 2HB LEU 47 1HB LEU 47 5.730 2.167 -7.160 384 HG LEU 47 HG LEU 47 3.820 1.888 -5.511 385 1HD1 LEU 47 1HD1 LEU 47 4.746 0.060 -6.994 386 2HD1 LEU 47 2HD1 LEU 47 3.973 -0.521 -5.519 387 3HD1 LEU 47 3HD1 LEU 47 5.732 -0.462 -5.627 388 1HD2 LEU 47 1HD2 LEU 47 5.259 2.434 -3.512 389 2HD2 LEU 47 2HD2 LEU 47 6.038 0.865 -3.714 390 3HD2 LEU 47 3HD2 LEU 47 4.318 0.954 -3.333 391 H GLU 48 H GLU 48 8.822 3.646 -6.575 392 HA GLU 48 HA GLU 48 9.365 2.384 -9.160 393 1HB GLU 48 2HB GLU 48 9.235 4.905 -8.347 394 2HB GLU 48 1HB GLU 48 10.944 4.651 -7.994 395 1HG GLU 48 2HG GLU 48 10.481 3.522 -10.549 396 2HG GLU 48 1HG GLU 48 9.678 5.092 -10.548 397 H ALA 49 H ALA 49 11.038 2.746 -6.054 398 HA ALA 49 HA ALA 49 13.603 1.743 -6.958 399 1HB ALA 49 1HB ALA 49 13.363 1.269 -4.226 400 2HB ALA 49 2HB ALA 49 12.242 2.599 -4.510 401 3HB ALA 49 3HB ALA 49 13.939 2.766 -4.959 402 H GLN 50 H GLN 50 10.936 0.246 -5.087 403 HA GLN 50 HA GLN 50 11.898 -2.330 -4.712 404 1HB GLN 50 2HB GLN 50 9.562 -1.079 -4.326 405 2HB GLN 50 1HB GLN 50 9.122 -1.982 -5.777 406 1HG GLN 50 2HG GLN 50 10.236 -3.999 -4.493 407 2HG GLN 50 1HG GLN 50 9.895 -3.013 -3.070 408 1HE2 GLN 50 1HE2 GLN 50 7.442 -1.813 -3.876 409 2HE2 GLN 50 2HE2 GLN 50 6.265 -3.025 -4.036 410 H LYS 51 H LYS 51 10.927 -0.814 -7.719 411 HA LYS 51 HA LYS 51 10.963 -3.359 -9.224 412 1HB LYS 51 2HB LYS 51 9.979 -0.639 -9.490 413 2HB LYS 51 1HB LYS 51 10.839 -1.138 -10.946 414 1HG LYS 51 2HG LYS 51 9.167 -2.520 -11.552 415 2HG LYS 51 1HG LYS 51 9.141 -3.277 -9.958 416 1HD LYS 51 2HD LYS 51 7.315 -2.105 -9.353 417 2HD LYS 51 1HD LYS 51 8.066 -0.585 -9.837 418 1HE LYS 51 2HE LYS 51 7.168 -0.664 -11.982 419 2HE LYS 51 1HE LYS 51 7.057 -2.437 -11.978 420 1HZ LYS 51 1HZ LYS 51 5.316 -0.471 -10.638 421 2HZ LYS 51 2HZ LYS 51 5.469 -2.038 -9.999 422 3HZ LYS 51 3HZ LYS 51 4.881 -1.815 -11.577 423 H GLN 52 H GLN 52 12.614 -0.207 -9.691 424 HA GLN 52 HA GLN 52 14.707 -1.294 -11.334 425 1HB GLN 52 2HB GLN 52 13.881 1.080 -11.209 426 2HB GLN 52 1HB GLN 52 14.682 1.223 -9.645 427 1HG GLN 52 2HG GLN 52 16.845 0.693 -10.689 428 2HG GLN 52 1HG GLN 52 16.055 0.524 -12.257 429 1HE2 GLN 52 1HE2 GLN 52 14.207 2.794 -11.866 430 2HE2 GLN 52 2HE2 GLN 52 15.148 4.204 -11.954 431 H LYS 53 H LYS 53 15.754 -3.039 -10.251 432 HA LYS 53 HA LYS 53 16.807 -2.713 -7.533 433 1HB LYS 53 2HB LYS 53 17.276 -4.839 -9.649 434 2HB LYS 53 1HB LYS 53 17.592 -5.001 -7.922 435 1HG LYS 53 2HG LYS 53 15.114 -4.486 -7.564 436 2HG LYS 53 1HG LYS 53 14.914 -4.727 -9.300 437 1HD LYS 53 2HD LYS 53 16.308 -6.955 -8.740 438 2HD LYS 53 1HD LYS 53 15.543 -6.716 -7.169 439 1HE LYS 53 2HE LYS 53 13.580 -6.272 -9.230 440 2HE LYS 53 1HE LYS 53 14.361 -7.841 -9.497 441 1HZ LYS 53 1HZ LYS 53 12.743 -6.941 -7.259 442 2HZ LYS 53 2HZ LYS 53 14.128 -7.829 -6.839 443 3HZ LYS 53 3HZ LYS 53 12.964 -8.505 -7.874 444 H GLU 54 H GLU 54 18.778 -1.829 -7.091 445 HA GLU 54 HA GLU 54 20.764 -1.596 -9.328 446 1HB GLU 54 2HB GLU 54 19.738 0.509 -8.423 447 2HB GLU 54 1HB GLU 54 20.406 0.109 -6.840 448 1HG GLU 54 2HG GLU 54 22.537 0.657 -7.452 449 2HG GLU 54 1HG GLU 54 22.331 0.040 -9.093 450 H GLN 55 H GLN 55 20.349 -2.206 -5.842 451 HA GLN 55 HA GLN 55 22.754 -3.939 -5.884 452 1HB GLN 55 2HB GLN 55 23.440 -1.547 -5.430 453 2HB GLN 55 1HB GLN 55 22.452 -1.603 -3.970 454 1HG GLN 55 2HG GLN 55 23.939 -3.903 -3.730 455 2HG GLN 55 1HG GLN 55 25.089 -2.802 -4.492 456 1HE2 GLN 55 1HE2 GLN 55 24.812 -0.401 -3.398 457 2HE2 GLN 55 2HE2 GLN 55 24.854 -0.427 -1.702 458 H ARG 56 HN ARG 56 19.872 -4.383 -5.500 459 HA ARG 56 HA ARG 56 19.988 -5.618 -2.784 460 1HB ARG 56 2HB ARG 56 18.839 -3.264 -3.013 461 2HB ARG 56 1HB ARG 56 17.527 -4.179 -3.756 462 1HG ARG 56 2HG ARG 56 16.790 -4.581 -1.661 463 2HG ARG 56 1HG ARG 56 18.171 -5.665 -1.488 464 1HD ARG 56 2HD ARG 56 19.507 -3.968 -0.462 465 2HD ARG 56 1HD ARG 56 18.371 -2.689 -0.938 466 HE ARG 56 HE ARG 56 16.685 -3.930 0.559 467 1HH1 ARG 56 1HH1 ARG 56 19.719 -5.312 0.881 468 2HH1 ARG 56 2HH1 ARG 56 19.809 -5.154 2.603 469 1HH2 ARG 56 1HH2 ARG 56 16.949 -3.206 2.841 470 2HH2 ARG 56 2HH2 ARG 56 18.238 -3.965 3.714 Start of MODEL 17 1 1H MET 1 1H MET 1 -10.070 7.540 -2.971 2 2H MET 1 2H MET 1 -9.199 7.431 -4.426 3 3H MET 1 3H MET 1 -9.104 8.837 -3.481 4 HA MET 1 HA MET 1 -7.397 8.011 -2.334 5 1HB MET 1 2HB MET 1 -9.492 6.892 -1.179 6 2HB MET 1 1HB MET 1 -8.892 5.413 -1.943 7 1HG MET 1 2HG MET 1 -7.098 5.274 -0.563 8 2HG MET 1 1HG MET 1 -6.806 7.008 -0.600 9 1HE MET 1 1HE MET 1 -6.076 5.943 1.805 10 2HE MET 1 2HE MET 1 -7.076 4.496 1.859 11 3HE MET 1 3HE MET 1 -7.208 5.695 3.140 12 H LYS 2 H LYS 2 -5.997 7.802 -4.225 13 HA LYS 2 HA LYS 2 -6.013 5.714 -6.106 14 1HB LYS 2 2HB LYS 2 -3.950 7.512 -4.873 15 2HB LYS 2 1HB LYS 2 -3.389 6.195 -5.902 16 1HG LYS 2 2HG LYS 2 -4.919 6.994 -7.693 17 2HG LYS 2 1HG LYS 2 -5.350 8.364 -6.671 18 1HD LYS 2 2HD LYS 2 -2.473 8.110 -6.837 19 2HD LYS 2 1HD LYS 2 -3.174 8.204 -8.454 20 1HE LYS 2 2HE LYS 2 -3.953 10.128 -6.241 21 2HE LYS 2 1HE LYS 2 -2.641 10.462 -7.390 22 1HZ LYS 2 1HZ LYS 2 -4.400 9.711 -9.122 23 2HZ LYS 2 2HZ LYS 2 -4.451 11.296 -8.514 24 3HZ LYS 2 3HZ LYS 2 -5.516 10.119 -7.912 25 H VAL 3 H VAL 3 -4.880 3.550 -6.030 26 HA VAL 3 HA VAL 3 -4.294 2.775 -3.222 27 HB VAL 3 HB VAL 3 -6.155 1.824 -5.332 28 1HG1 VAL 3 1HG1 VAL 3 -4.861 -0.157 -4.869 29 2HG1 VAL 3 2HG1 VAL 3 -6.443 -0.306 -4.096 30 3HG1 VAL 3 3HG1 VAL 3 -5.019 0.091 -3.132 31 1HG2 VAL 3 1HG2 VAL 3 -6.255 3.208 -2.947 32 2HG2 VAL 3 2HG2 VAL 3 -6.813 1.588 -2.516 33 3HG2 VAL 3 3HG2 VAL 3 -7.622 2.492 -3.791 34 H ILE 4 H ILE 4 -2.488 1.692 -2.897 35 HA ILE 4 HA ILE 4 -0.899 0.599 -5.160 36 HB ILE 4 HB ILE 4 -0.530 1.680 -2.391 37 1HG1 ILE 4 2HG1 ILE 4 0.365 2.173 -5.087 38 2HG1 ILE 4 1HG1 ILE 4 0.533 3.206 -3.679 39 1HG2 ILE 4 1HG2 ILE 4 0.357 -0.382 -1.852 40 2HG2 ILE 4 2HG2 ILE 4 1.775 0.510 -2.375 41 3HG2 ILE 4 3HG2 ILE 4 1.008 -0.646 -3.468 42 1HD1 ILE 4 1HD1 ILE 4 2.432 1.027 -4.593 43 2HD1 ILE 4 2HD1 ILE 4 2.553 1.821 -3.024 44 3HD1 ILE 4 3HD1 ILE 4 2.759 2.760 -4.502 45 H PHE 5 H PHE 5 -1.831 -1.528 -5.483 46 HA PHE 5 HA PHE 5 -2.582 -3.145 -3.125 47 1HB PHE 5 2HB PHE 5 -2.351 -3.527 -6.078 48 2HB PHE 5 1HB PHE 5 -2.369 -4.949 -5.060 49 HD1 PHE 5 HD1 PHE 5 -4.367 -2.166 -6.391 50 HD2 PHE 5 HD2 PHE 5 -4.363 -5.495 -3.677 51 HE1 PHE 5 HE1 PHE 5 -6.832 -2.104 -6.306 52 HE2 PHE 5 HE2 PHE 5 -6.828 -5.428 -3.599 53 HZ PHE 5 HZ PHE 5 -8.060 -3.735 -4.924 54 H LEU 6 H LEU 6 -0.959 -4.258 -1.931 55 HA LEU 6 HA LEU 6 1.790 -4.226 -2.925 56 1HB LEU 6 2HB LEU 6 0.885 -5.980 -0.659 57 2HB LEU 6 1HB LEU 6 2.356 -5.032 -0.800 58 HG LEU 6 HG LEU 6 1.263 -3.754 0.725 59 1HD1 LEU 6 1HD1 LEU 6 1.239 -2.635 -1.752 60 2HD1 LEU 6 2HD1 LEU 6 0.816 -1.780 -0.267 61 3HD1 LEU 6 3HD1 LEU 6 -0.447 -2.480 -1.271 62 1HD2 LEU 6 1HD2 LEU 6 -1.487 -3.844 -0.227 63 2HD2 LEU 6 2HD2 LEU 6 -0.851 -4.138 1.384 64 3HD2 LEU 6 3HD2 LEU 6 -0.841 -5.426 0.181 65 H LYS 7 H LYS 7 -0.918 -6.414 -2.757 66 HA LYS 7 HA LYS 7 0.739 -8.552 -4.068 67 1HB LYS 7 2HB LYS 7 -1.437 -8.498 -2.015 68 2HB LYS 7 1HB LYS 7 -1.386 -9.879 -3.113 69 1HG LYS 7 2HG LYS 7 0.406 -10.749 -2.067 70 2HG LYS 7 1HG LYS 7 1.269 -9.213 -2.145 71 1HD LYS 7 2HD LYS 7 -0.926 -9.156 -0.210 72 2HD LYS 7 1HD LYS 7 0.269 -10.399 0.168 73 1HE LYS 7 2HE LYS 7 1.878 -8.857 0.690 74 2HE LYS 7 1HE LYS 7 1.407 -7.783 -0.642 75 1HZ LYS 7 1HZ LYS 7 0.273 -7.995 2.057 76 2HZ LYS 7 2HZ LYS 7 -0.761 -7.571 0.776 77 3HZ LYS 7 3HZ LYS 7 0.595 -6.612 1.131 78 H ASP 8 H ASP 8 -0.936 -10.066 -5.338 79 HA ASP 8 HA ASP 8 -2.221 -8.281 -7.321 80 1HB ASP 8 2HB ASP 8 -2.329 -10.351 -8.634 81 2HB ASP 8 1HB ASP 8 -0.723 -10.183 -7.924 82 H VAL 9 H VAL 9 -4.443 -8.206 -7.690 83 HA VAL 9 HA VAL 9 -6.176 -9.445 -5.604 84 HB VAL 9 HB VAL 9 -7.222 -7.583 -7.690 85 1HG1 VAL 9 1HG1 VAL 9 -8.849 -7.843 -6.123 86 2HG1 VAL 9 2HG1 VAL 9 -7.929 -6.621 -5.243 87 3HG1 VAL 9 3HG1 VAL 9 -7.703 -8.331 -4.874 88 1HG2 VAL 9 1HG2 VAL 9 -5.070 -6.529 -7.262 89 2HG2 VAL 9 2HG2 VAL 9 -5.262 -6.743 -5.524 90 3HG2 VAL 9 3HG2 VAL 9 -6.307 -5.621 -6.395 91 H LYS 10 H LYS 10 -8.574 -9.624 -6.921 92 HA LYS 10 HA LYS 10 -8.248 -12.044 -8.512 93 1HB LYS 10 2HB LYS 10 -10.120 -11.704 -6.970 94 2HB LYS 10 1HB LYS 10 -10.614 -10.256 -7.846 95 1HG LYS 10 2HG LYS 10 -11.513 -11.449 -9.594 96 2HG LYS 10 1HG LYS 10 -10.358 -12.771 -9.425 97 1HD LYS 10 2HD LYS 10 -11.883 -12.707 -7.029 98 2HD LYS 10 1HD LYS 10 -13.026 -12.578 -8.365 99 1HE LYS 10 2HE LYS 10 -10.925 -14.738 -7.976 100 2HE LYS 10 1HE LYS 10 -12.688 -14.939 -7.957 101 1HZ LYS 10 1HZ LYS 10 -10.906 -14.418 -10.220 102 2HZ LYS 10 2HZ LYS 10 -12.451 -13.711 -10.255 103 3HZ LYS 10 3HZ LYS 10 -12.287 -15.399 -10.138 104 H GLY 11 H GLY 11 -6.786 -10.484 -10.014 105 1HA GLY 11 2HA GLY 11 -6.581 -9.763 -12.251 106 2HA GLY 11 1HA GLY 11 -8.290 -10.141 -12.473 107 H LYS 12 H LYS 12 -7.576 -8.121 -9.786 108 HA LYS 12 HA LYS 12 -8.684 -5.779 -11.286 109 1HB LYS 12 2HB LYS 12 -8.619 -6.536 -8.347 110 2HB LYS 12 1HB LYS 12 -9.312 -5.038 -8.966 111 1HG LYS 12 2HG LYS 12 -10.541 -6.881 -10.568 112 2HG LYS 12 1HG LYS 12 -10.387 -7.787 -9.062 113 1HD LYS 12 2HD LYS 12 -11.202 -5.191 -8.316 114 2HD LYS 12 1HD LYS 12 -12.201 -5.629 -9.703 115 1HE LYS 12 2HE LYS 12 -13.360 -6.457 -7.764 116 2HE LYS 12 1HE LYS 12 -12.596 -7.878 -8.503 117 1HZ LYS 12 1HZ LYS 12 -11.769 -8.089 -6.411 118 2HZ LYS 12 2HZ LYS 12 -11.865 -6.429 -6.072 119 3HZ LYS 12 3HZ LYS 12 -10.593 -7.032 -7.024 120 H GLY 13 H GLY 13 -6.174 -6.716 -8.922 121 1HA GLY 13 2HA GLY 13 -4.646 -4.313 -9.783 122 2HA GLY 13 1HA GLY 13 -4.827 -4.663 -8.060 123 H LYS 14 H LYS 14 -2.267 -4.568 -8.957 124 HA LYS 14 HA LYS 14 -1.455 -7.440 -8.894 125 1HB LYS 14 2HB LYS 14 -0.464 -5.273 -10.779 126 2HB LYS 14 1HB LYS 14 0.197 -6.906 -10.684 127 1HG LYS 14 2HG LYS 14 -2.235 -7.700 -11.096 128 2HG LYS 14 1HG LYS 14 -2.540 -6.041 -11.615 129 1HD LYS 14 2HD LYS 14 -1.949 -7.078 -13.628 130 2HD LYS 14 1HD LYS 14 -0.412 -6.392 -13.103 131 1HE LYS 14 2HE LYS 14 0.521 -8.449 -12.887 132 2HE LYS 14 1HE LYS 14 -0.872 -9.053 -11.969 133 1HZ LYS 14 1HZ LYS 14 -0.616 -10.114 -14.186 134 2HZ LYS 14 2HZ LYS 14 -0.881 -8.598 -14.908 135 3HZ LYS 14 3HZ LYS 14 -2.106 -9.329 -13.983 136 H LYS 15 H LYS 15 1.084 -7.438 -8.551 137 HA LYS 15 HA LYS 15 1.861 -6.643 -6.088 138 1HB LYS 15 2HB LYS 15 4.115 -6.781 -6.893 139 2HB LYS 15 1HB LYS 15 3.159 -7.830 -7.935 140 1HG LYS 15 2HG LYS 15 3.804 -4.951 -8.622 141 2HG LYS 15 1HG LYS 15 4.772 -6.319 -9.163 142 1HD LYS 15 2HD LYS 15 2.316 -7.190 -9.889 143 2HD LYS 15 1HD LYS 15 2.072 -5.449 -10.047 144 1HE LYS 15 2HE LYS 15 4.567 -6.690 -11.196 145 2HE LYS 15 1HE LYS 15 3.044 -6.807 -12.096 146 1HZ LYS 15 1HZ LYS 15 3.263 -4.689 -12.685 147 2HZ LYS 15 2HZ LYS 15 4.723 -4.571 -11.822 148 3HZ LYS 15 3HZ LYS 15 3.251 -4.214 -11.058 149 H GLY 16 H GLY 16 2.274 -4.793 -4.969 150 1HA GLY 16 2HA GLY 16 1.787 -2.444 -4.607 151 2HA GLY 16 1HA GLY 16 3.373 -2.402 -5.339 152 H GLU 17 H GLU 17 0.153 -3.022 -6.855 153 HA GLU 17 HA GLU 17 0.901 -1.129 -8.976 154 1HB GLU 17 2HB GLU 17 -0.699 -2.221 -10.164 155 2HB GLU 17 1HB GLU 17 -0.622 -3.398 -8.861 156 1HG GLU 17 2HG GLU 17 -2.624 -2.650 -7.899 157 2HG GLU 17 1HG GLU 17 -2.499 -1.048 -8.625 158 H ILE 18 H ILE 18 0.474 1.014 -8.884 159 HA ILE 18 HA ILE 18 -1.462 1.953 -6.784 160 HB ILE 18 HB ILE 18 0.367 3.769 -8.303 161 1HG1 ILE 18 2HG1 ILE 18 1.901 2.986 -6.121 162 2HG1 ILE 18 1HG1 ILE 18 1.323 1.464 -6.798 163 1HG2 ILE 18 1HG2 ILE 18 0.356 4.003 -5.439 164 2HG2 ILE 18 2HG2 ILE 18 -1.291 3.909 -6.045 165 3HG2 ILE 18 3HG2 ILE 18 -0.199 5.156 -6.644 166 1HD1 ILE 18 1HD1 ILE 18 3.485 2.868 -7.745 167 2HD1 ILE 18 2HD1 ILE 18 2.199 3.425 -8.815 168 3HD1 ILE 18 3HD1 ILE 18 2.561 1.701 -8.692 169 H LYS 19 H LYS 19 -3.279 2.673 -7.442 170 HA LYS 19 HA LYS 19 -3.661 4.277 -9.863 171 1HB LYS 19 2HB LYS 19 -4.299 1.372 -9.540 172 2HB LYS 19 1HB LYS 19 -5.555 2.345 -10.289 173 1HG LYS 19 2HG LYS 19 -2.683 2.206 -11.225 174 2HG LYS 19 1HG LYS 19 -4.040 1.380 -11.980 175 1HD LYS 19 2HD LYS 19 -4.481 3.224 -13.182 176 2HD LYS 19 1HD LYS 19 -4.786 4.109 -11.687 177 1HE LYS 19 2HE LYS 19 -2.896 5.309 -12.019 178 2HE LYS 19 1HE LYS 19 -1.941 3.813 -12.016 179 1HZ LYS 19 1HZ LYS 19 -1.739 4.863 -14.160 180 2HZ LYS 19 2HZ LYS 19 -3.429 4.959 -14.321 181 3HZ LYS 19 3HZ LYS 19 -2.656 3.445 -14.327 182 H ASN 20 H ASN 20 -6.585 3.082 -9.300 183 HA ASN 20 HA ASN 20 -7.041 4.014 -6.579 184 1HB ASN 20 2HB ASN 20 -8.752 5.690 -7.284 185 2HB ASN 20 1HB ASN 20 -7.122 6.134 -7.816 186 1HD2 ASN 20 1HD2 ASN 20 -8.715 7.434 -9.392 187 2HD2 ASN 20 2HD2 ASN 20 -9.077 6.653 -10.855 188 H VAL 21 H VAL 21 -8.262 2.548 -5.793 189 HA VAL 21 HA VAL 21 -9.894 0.807 -7.522 190 HB VAL 21 HB VAL 21 -8.371 0.331 -5.428 191 1HG1 VAL 21 1HG1 VAL 21 -10.022 2.134 -4.241 192 2HG1 VAL 21 2HG1 VAL 21 -8.979 0.991 -3.399 193 3HG1 VAL 21 3HG1 VAL 21 -10.673 0.591 -3.689 194 1HG2 VAL 21 1HG2 VAL 21 -10.101 -1.370 -4.563 195 2HG2 VAL 21 2HG2 VAL 21 -9.433 -1.542 -6.185 196 3HG2 VAL 21 3HG2 VAL 21 -11.035 -0.837 -5.960 197 H ALA 22 H ALA 22 -11.882 0.685 -5.233 198 HA ALA 22 HA ALA 22 -13.483 3.007 -6.081 199 1HB ALA 22 1HB ALA 22 -14.303 1.828 -3.575 200 2HB ALA 22 2HB ALA 22 -13.885 0.547 -4.709 201 3HB ALA 22 3HB ALA 22 -15.115 1.736 -5.131 202 H ASP 23 H ASP 23 -12.611 4.949 -5.435 203 HA ASP 23 HA ASP 23 -10.613 5.651 -3.844 204 1HB ASP 23 2HB ASP 23 -13.279 6.766 -4.485 205 2HB ASP 23 1HB ASP 23 -12.498 7.515 -3.108 206 H GLY 24 H GLY 24 -13.715 4.457 -2.544 207 1HA GLY 24 2HA GLY 24 -12.688 4.892 0.219 208 2HA GLY 24 1HA GLY 24 -14.356 4.487 -0.191 209 H TYR 25 H TYR 25 -13.706 2.369 -2.043 210 HA TYR 25 HA TYR 25 -13.629 0.003 -0.506 211 1HB TYR 25 2HB TYR 25 -14.126 0.002 -2.868 212 2HB TYR 25 1HB TYR 25 -12.647 0.872 -3.224 213 HD1 TYR 25 HD1 TYR 25 -11.650 -1.670 -0.962 214 HD2 TYR 25 HD2 TYR 25 -12.922 -1.082 -5.022 215 HE1 TYR 25 HE1 TYR 25 -10.582 -3.743 -1.626 216 HE2 TYR 25 HE2 TYR 25 -11.841 -3.203 -5.662 217 HH TYR 25 HH TYR 25 -11.110 -5.266 -4.635 218 H ALA 26 H ALA 26 -11.076 1.658 -2.226 219 HA ALA 26 HA ALA 26 -8.705 0.460 -1.621 220 1HB ALA 26 1HB ALA 26 -9.034 2.709 -2.651 221 2HB ALA 26 2HB ALA 26 -7.816 2.801 -1.380 222 3HB ALA 26 3HB ALA 26 -9.454 3.378 -1.080 223 H ASN 27 H ASN 27 -10.055 2.800 0.774 224 HA ASN 27 HA ASN 27 -8.429 1.577 2.895 225 1HB ASN 27 2HB ASN 27 -8.738 4.025 2.599 226 2HB ASN 27 1HB ASN 27 -10.457 3.828 2.926 227 1HD2 ASN 27 1HD2 ASN 27 -10.606 4.898 4.892 228 2HD2 ASN 27 2HD2 ASN 27 -9.788 4.400 6.280 229 H ASN 28 H ASN 28 -10.759 -0.016 1.763 230 HA ASN 28 HA ASN 28 -12.165 -0.421 4.376 231 1HB ASN 28 2HB ASN 28 -13.343 0.836 2.390 232 2HB ASN 28 1HB ASN 28 -13.523 -0.783 1.719 233 1HD2 ASN 28 1HD2 ASN 28 -13.700 0.255 5.167 234 2HD2 ASN 28 2HD2 ASN 28 -15.280 -0.316 5.412 235 H PHE 29 H PHE 29 -10.722 -1.807 1.517 236 HA PHE 29 HA PHE 29 -11.196 -4.549 2.636 237 1HB PHE 29 2HB PHE 29 -12.764 -4.268 0.826 238 2HB PHE 29 1HB PHE 29 -11.608 -3.360 -0.111 239 HD1 PHE 29 HD1 PHE 29 -12.320 -4.923 -1.990 240 HD2 PHE 29 HD2 PHE 29 -10.197 -6.299 1.466 241 HE1 PHE 29 HE1 PHE 29 -11.557 -6.893 -3.255 242 HE2 PHE 29 HE2 PHE 29 -9.421 -8.271 0.206 243 HZ PHE 29 HZ PHE 29 -10.111 -8.590 -2.155 244 H LEU 30 H LEU 30 -9.280 -2.555 0.405 245 HA LEU 30 HA LEU 30 -7.165 -4.574 0.165 246 1HB LEU 30 2HB LEU 30 -7.120 -1.673 -0.718 247 2HB LEU 30 1HB LEU 30 -6.296 -3.045 -1.468 248 HG LEU 30 HG LEU 30 -9.249 -2.786 -1.195 249 1HD1 LEU 30 1HD1 LEU 30 -7.407 -1.915 -3.375 250 2HD1 LEU 30 2HD1 LEU 30 -8.888 -1.151 -2.796 251 3HD1 LEU 30 3HD1 LEU 30 -8.976 -2.579 -3.827 252 1HD2 LEU 30 1HD2 LEU 30 -7.542 -4.963 -1.947 253 2HD2 LEU 30 2HD2 LEU 30 -8.545 -4.516 -3.323 254 3HD2 LEU 30 3HD2 LEU 30 -9.296 -4.958 -1.793 255 H PHE 31 H PHE 31 -7.686 -1.519 1.734 256 HA PHE 31 HA PHE 31 -4.979 -1.405 2.851 257 1HB PHE 31 2HB PHE 31 -7.572 0.066 3.217 258 2HB PHE 31 1HB PHE 31 -6.029 0.602 3.850 259 HD1 PHE 31 HD1 PHE 31 -5.348 -1.047 0.748 260 HD2 PHE 31 HD2 PHE 31 -6.971 2.594 2.365 261 HE1 PHE 31 HE1 PHE 31 -4.804 0.177 -1.338 262 HE2 PHE 31 HE2 PHE 31 -6.423 3.783 0.276 263 HZ PHE 31 HZ PHE 31 -5.327 2.571 -1.561 264 H LYS 32 H LYS 32 -8.291 -1.649 4.201 265 HA LYS 32 HA LYS 32 -7.506 -2.105 6.907 266 1HB LYS 32 2HB LYS 32 -9.743 -1.399 5.790 267 2HB LYS 32 1HB LYS 32 -10.038 -3.131 5.631 268 1HG LYS 32 2HG LYS 32 -10.493 -3.354 7.834 269 2HG LYS 32 1HG LYS 32 -9.080 -2.407 8.298 270 1HD LYS 32 2HD LYS 32 -10.319 -0.548 8.609 271 2HD LYS 32 1HD LYS 32 -11.140 -0.754 7.060 272 1HE LYS 32 2HE LYS 32 -12.620 -2.478 8.108 273 2HE LYS 32 1HE LYS 32 -11.847 -2.142 9.671 274 1HZ LYS 32 1HZ LYS 32 -12.687 0.189 8.166 275 2HZ LYS 32 2HZ LYS 32 -12.815 -0.135 9.829 276 3HZ LYS 32 3HZ LYS 32 -13.953 -0.779 8.745 277 H GLN 33 H GLN 33 -7.071 -4.193 4.272 278 HA GLN 33 HA GLN 33 -7.086 -6.552 6.136 279 1HB GLN 33 2HB GLN 33 -7.754 -6.391 3.186 280 2HB GLN 33 1HB GLN 33 -7.653 -7.891 4.100 281 1HG GLN 33 2HG GLN 33 -9.318 -6.498 5.712 282 2HG GLN 33 1HG GLN 33 -9.740 -5.777 4.158 283 1HE2 GLN 33 1HE2 GLN 33 -10.848 -8.107 6.134 284 2HE2 GLN 33 2HE2 GLN 33 -11.386 -9.257 5.007 285 H GLY 34 H GLY 34 -5.951 -7.065 2.911 286 1HA GLY 34 2HA GLY 34 -3.174 -6.363 3.498 287 2HA GLY 34 1HA GLY 34 -3.486 -8.096 3.519 288 H LEU 35 H LEU 35 -4.770 -5.531 1.364 289 HA LEU 35 HA LEU 35 -3.654 -7.104 -0.941 290 1HB LEU 35 2HB LEU 35 -6.017 -5.218 -0.948 291 2HB LEU 35 1HB LEU 35 -5.563 -6.357 -2.202 292 HG LEU 35 HG LEU 35 -5.864 -8.105 -0.219 293 1HD1 LEU 35 1HD1 LEU 35 -7.315 -7.508 1.467 294 2HD1 LEU 35 2HD1 LEU 35 -8.111 -6.294 0.470 295 3HD1 LEU 35 3HD1 LEU 35 -6.547 -5.944 1.204 296 1HD2 LEU 35 1HD2 LEU 35 -8.242 -6.879 -1.629 297 2HD2 LEU 35 2HD2 LEU 35 -8.053 -8.559 -1.130 298 3HD2 LEU 35 3HD2 LEU 35 -7.069 -7.912 -2.442 299 H ALA 36 H ALA 36 -4.588 -3.821 0.121 300 HA ALA 36 HA ALA 36 -2.267 -2.688 -1.399 301 1HB ALA 36 1HB ALA 36 -3.747 -1.089 -2.432 302 2HB ALA 36 2HB ALA 36 -5.098 -1.630 -1.433 303 3HB ALA 36 3HB ALA 36 -4.449 -2.688 -2.687 304 H ILE 37 H ILE 37 -2.345 -0.175 -0.994 305 HA ILE 37 HA ILE 37 -3.220 0.453 1.783 306 HB ILE 37 HB ILE 37 -1.045 1.397 2.320 307 1HG1 ILE 37 2HG1 ILE 37 0.230 0.388 -0.151 308 2HG1 ILE 37 1HG1 ILE 37 -0.753 1.829 -0.333 309 1HG2 ILE 37 1HG2 ILE 37 0.395 -0.700 2.013 310 2HG2 ILE 37 2HG2 ILE 37 -0.992 -1.391 1.172 311 3HG2 ILE 37 3HG2 ILE 37 -1.138 -0.904 2.860 312 1HD1 ILE 37 1HD1 ILE 37 0.505 2.845 1.595 313 2HD1 ILE 37 2HD1 ILE 37 1.504 2.536 0.174 314 3HD1 ILE 37 3HD1 ILE 37 1.582 1.448 1.562 315 H GLU 38 H GLU 38 -3.059 2.874 2.103 316 HA GLU 38 HA GLU 38 -4.504 4.283 0.088 317 1HB GLU 38 2HB GLU 38 -3.716 6.282 1.491 318 2HB GLU 38 1HB GLU 38 -4.539 4.998 2.379 319 1HG GLU 38 2HG GLU 38 -2.584 4.237 3.374 320 2HG GLU 38 1HG GLU 38 -1.564 4.850 2.072 321 H ALA 39 H ALA 39 -3.625 4.524 -1.986 322 HA ALA 39 HA ALA 39 -0.810 4.663 -2.528 323 1HB ALA 39 1HB ALA 39 -1.532 5.431 -4.715 324 2HB ALA 39 2HB ALA 39 -3.049 6.007 -4.036 325 3HB ALA 39 3HB ALA 39 -2.735 4.280 -4.127 326 H THR 40 H THR 40 0.211 6.168 -1.079 327 HA THR 40 HA THR 40 -0.588 9.040 -1.382 328 HB THR 40 HB THR 40 -0.462 8.710 0.898 329 HG1 THR 40 HG1 THR 40 2.318 8.845 0.532 330 1HG2 THR 40 1HG2 THR 40 1.513 6.529 0.233 331 2HG2 THR 40 2HG2 THR 40 -0.032 6.392 1.071 332 3HG2 THR 40 3HG2 THR 40 1.348 7.123 1.885 333 HA PRO 41 HA PRO 41 2.890 9.950 -3.845 334 1HB PRO 41 2HB PRO 41 3.902 12.199 -2.649 335 2HB PRO 41 1HB PRO 41 2.451 12.217 -3.672 336 1HG PRO 41 2HG PRO 41 2.663 12.181 -0.698 337 2HG PRO 41 1HG PRO 41 1.567 13.104 -1.740 338 1HD PRO 41 2HD PRO 41 0.790 10.862 -0.446 339 2HD PRO 41 1HD PRO 41 0.128 11.330 -2.025 340 H ALA 42 H ALA 42 3.571 10.579 -0.389 341 HA ALA 42 HA ALA 42 6.245 10.117 -0.118 342 1HB ALA 42 1HB ALA 42 5.727 9.420 2.104 343 2HB ALA 42 2HB ALA 42 4.207 8.682 1.594 344 3HB ALA 42 3HB ALA 42 4.370 10.438 1.618 345 H ASN 43 H ASN 43 3.832 7.447 -0.258 346 HA ASN 43 HA ASN 43 5.951 5.419 -0.448 347 1HB ASN 43 2HB ASN 43 2.943 5.519 -0.407 348 2HB ASN 43 1HB ASN 43 3.764 4.018 -0.837 349 1HD2 ASN 43 1HD2 ASN 43 2.306 3.936 1.505 350 2HD2 ASN 43 2HD2 ASN 43 3.345 3.954 2.861 351 H LEU 44 H LEU 44 3.378 6.612 -2.614 352 HA LEU 44 HA LEU 44 3.768 5.015 -4.851 353 1HB LEU 44 2HB LEU 44 2.875 7.788 -4.271 354 2HB LEU 44 1HB LEU 44 3.257 7.444 -5.959 355 HG LEU 44 HG LEU 44 1.668 5.666 -6.062 356 1HD1 LEU 44 1HD1 LEU 44 1.741 5.874 -3.056 357 2HD1 LEU 44 2HD1 LEU 44 1.952 4.447 -4.070 358 3HD1 LEU 44 3HD1 LEU 44 0.351 5.155 -3.866 359 1HD2 LEU 44 1HD2 LEU 44 0.817 8.225 -4.842 360 2HD2 LEU 44 2HD2 LEU 44 -0.355 6.913 -4.716 361 3HD2 LEU 44 3HD2 LEU 44 0.227 7.425 -6.300 362 H LYS 45 H LYS 45 5.604 7.997 -4.024 363 HA LYS 45 HA LYS 45 7.277 8.068 -6.316 364 1HB LYS 45 2HB LYS 45 7.004 9.395 -3.865 365 2HB LYS 45 1HB LYS 45 8.640 8.732 -3.815 366 1HG LYS 45 2HG LYS 45 8.959 9.685 -6.160 367 2HG LYS 45 1HG LYS 45 7.448 10.558 -5.912 368 1HD LYS 45 2HD LYS 45 9.038 10.960 -3.587 369 2HD LYS 45 1HD LYS 45 10.072 11.250 -4.987 370 1HE LYS 45 2HE LYS 45 8.856 13.083 -5.674 371 2HE LYS 45 1HE LYS 45 7.323 12.410 -5.089 372 1HZ LYS 45 1HZ LYS 45 7.890 12.883 -2.874 373 2HZ LYS 45 2HZ LYS 45 8.294 14.290 -3.736 374 3HZ LYS 45 3HZ LYS 45 9.511 13.205 -3.260 375 H ALA 46 H ALA 46 7.352 6.043 -3.448 376 HA ALA 46 HA ALA 46 10.005 4.938 -3.843 377 1HB ALA 46 1HB ALA 46 7.690 3.580 -2.463 378 2HB ALA 46 2HB ALA 46 8.412 5.034 -1.772 379 3HB ALA 46 3HB ALA 46 9.393 3.588 -2.004 380 H LEU 47 H LEU 47 6.703 3.906 -4.690 381 HA LEU 47 HA LEU 47 7.250 1.370 -5.819 382 1HB LEU 47 2HB LEU 47 5.192 3.454 -5.876 383 2HB LEU 47 1HB LEU 47 5.276 2.562 -7.393 384 HG LEU 47 HG LEU 47 3.708 1.497 -5.814 385 1HD1 LEU 47 1HD1 LEU 47 5.435 -0.688 -5.606 386 2HD1 LEU 47 2HD1 LEU 47 6.058 0.219 -6.986 387 3HD1 LEU 47 3HD1 LEU 47 4.380 -0.325 -6.972 388 1HD2 LEU 47 1HD2 LEU 47 5.272 2.296 -3.827 389 2HD2 LEU 47 2HD2 LEU 47 6.011 0.711 -4.061 390 3HD2 LEU 47 3HD2 LEU 47 4.297 0.835 -3.663 391 H GLU 48 H GLU 48 7.384 4.617 -7.302 392 HA GLU 48 HA GLU 48 7.888 4.042 -9.969 393 1HB GLU 48 2HB GLU 48 7.753 6.296 -9.090 394 2HB GLU 48 1HB GLU 48 9.186 6.043 -8.091 395 1HG GLU 48 2HG GLU 48 10.623 5.974 -9.984 396 2HG GLU 48 1HG GLU 48 9.270 5.768 -11.097 397 H ALA 49 H ALA 49 10.245 3.951 -7.275 398 HA ALA 49 HA ALA 49 12.641 3.421 -8.562 399 1HB ALA 49 1HB ALA 49 13.074 1.940 -6.540 400 2HB ALA 49 2HB ALA 49 11.368 2.122 -6.130 401 3HB ALA 49 3HB ALA 49 12.425 3.534 -6.153 402 H GLN 50 H GLN 50 9.964 1.148 -7.999 403 HA GLN 50 HA GLN 50 11.243 -1.169 -9.142 404 1HB GLN 50 2HB GLN 50 9.374 -1.524 -7.736 405 2HB GLN 50 1HB GLN 50 8.437 -0.253 -8.514 406 1HG GLN 50 2HG GLN 50 7.491 -2.301 -9.281 407 2HG GLN 50 1HG GLN 50 8.468 -1.710 -10.621 408 1HE2 GLN 50 1HE2 GLN 50 8.557 -3.994 -7.856 409 2HE2 GLN 50 2HE2 GLN 50 9.699 -5.037 -8.555 410 H LYS 51 H LYS 51 9.158 1.396 -10.431 411 HA LYS 51 HA LYS 51 9.258 0.267 -13.165 412 1HB LYS 51 2HB LYS 51 7.877 2.540 -11.740 413 2HB LYS 51 1HB LYS 51 7.866 2.449 -13.503 414 1HG LYS 51 2HG LYS 51 6.936 0.244 -11.641 415 2HG LYS 51 1HG LYS 51 5.874 1.349 -12.518 416 1HD LYS 51 2HD LYS 51 7.137 0.545 -14.636 417 2HD LYS 51 1HD LYS 51 7.678 -0.795 -13.625 418 1HE LYS 51 2HE LYS 51 5.277 -1.287 -13.076 419 2HE LYS 51 1HE LYS 51 4.803 -0.043 -14.251 420 1HZ LYS 51 1HZ LYS 51 6.018 -1.179 -15.958 421 2HZ LYS 51 2HZ LYS 51 4.954 -2.292 -15.239 422 3HZ LYS 51 3HZ LYS 51 6.609 -2.323 -14.855 423 H GLN 52 H GLN 52 11.528 1.771 -11.459 424 HA GLN 52 HA GLN 52 12.307 4.180 -12.545 425 1HB GLN 52 2HB GLN 52 13.453 2.557 -10.877 426 2HB GLN 52 1HB GLN 52 14.230 1.861 -12.298 427 1HG GLN 52 2HG GLN 52 15.177 4.032 -12.892 428 2HG GLN 52 1HG GLN 52 14.327 4.796 -11.549 429 1HE2 GLN 52 1HE2 GLN 52 16.862 2.357 -12.270 430 2HE2 GLN 52 2HE2 GLN 52 17.651 2.511 -10.776 431 H LYS 53 H LYS 53 13.535 1.116 -13.934 432 HA LYS 53 HA LYS 53 14.071 2.475 -16.489 433 1HB LYS 53 2HB LYS 53 14.582 -0.191 -15.209 434 2HB LYS 53 1HB LYS 53 14.774 -0.028 -16.954 435 1HG LYS 53 2HG LYS 53 16.666 1.216 -16.750 436 2HG LYS 53 1HG LYS 53 16.003 2.162 -15.417 437 1HD LYS 53 2HD LYS 53 16.597 0.522 -13.810 438 2HD LYS 53 1HD LYS 53 16.863 -0.707 -15.048 439 1HE LYS 53 2HE LYS 53 18.524 1.778 -15.212 440 2HE LYS 53 1HE LYS 53 18.928 0.593 -13.952 441 1HZ LYS 53 1HZ LYS 53 18.422 -0.149 -16.779 442 2HZ LYS 53 2HZ LYS 53 19.064 -1.130 -15.551 443 3HZ LYS 53 3HZ LYS 53 19.975 0.161 -16.175 444 H GLU 54 H GLU 54 12.006 2.918 -17.398 445 HA GLU 54 HA GLU 54 10.075 0.688 -17.708 446 1HB GLU 54 2HB GLU 54 10.023 3.637 -18.445 447 2HB GLU 54 1HB GLU 54 8.651 2.539 -18.592 448 1HG GLU 54 2HG GLU 54 8.994 2.041 -16.089 449 2HG GLU 54 1HG GLU 54 10.034 3.466 -16.069 450 H GLN 55 H GLN 55 9.989 2.947 -20.267 451 HA GLN 55 HA GLN 55 11.723 1.355 -22.067 452 1HB GLN 55 2HB GLN 55 8.876 1.009 -21.769 453 2HB GLN 55 1HB GLN 55 9.215 1.654 -23.375 454 1HG GLN 55 2HG GLN 55 11.003 -0.527 -22.439 455 2HG GLN 55 1HG GLN 55 9.340 -0.984 -22.807 456 1HE2 GLN 55 1HE2 GLN 55 8.838 -1.290 -24.995 457 2HE2 GLN 55 2HE2 GLN 55 9.823 -0.798 -26.287 458 H ARG 56 HN ARG 56 11.205 4.221 -20.961 459 HA ARG 56 HA ARG 56 11.109 5.616 -23.617 460 1HB ARG 56 2HB ARG 56 9.233 5.942 -21.913 461 2HB ARG 56 1HB ARG 56 10.427 6.734 -20.885 462 1HG ARG 56 2HG ARG 56 10.455 8.611 -22.162 463 2HG ARG 56 1HG ARG 56 10.403 7.696 -23.669 464 1HD ARG 56 2HD ARG 56 7.890 7.272 -22.458 465 2HD ARG 56 1HD ARG 56 8.224 9.006 -22.286 466 HE ARG 56 HE ARG 56 8.971 8.099 -24.917 467 1HH1 ARG 56 1HH2 ARG 56 7.613 10.666 -24.571 468 2HH1 ARG 56 2HH2 ARG 56 6.010 10.354 -25.148 469 1HH2 ARG 56 1HH1 ARG 56 6.323 6.904 -24.934 470 2HH2 ARG 56 2HH1 ARG 56 5.280 8.220 -25.358 Start of MODEL 18 1 1H MET 1 1H MET 1 -8.846 9.051 -3.241 2 2H MET 1 2H MET 1 -9.887 7.799 -2.766 3 3H MET 1 3H MET 1 -9.053 7.699 -4.242 4 HA MET 1 HA MET 1 -7.212 8.066 -2.107 5 1HB MET 1 2HB MET 1 -9.352 6.962 -1.041 6 2HB MET 1 1HB MET 1 -8.834 5.523 -1.929 7 1HG MET 1 2HG MET 1 -7.406 5.086 -0.257 8 2HG MET 1 1HG MET 1 -6.490 6.507 -0.753 9 1HE MET 1 1HE MET 1 -7.767 5.675 3.146 10 2HE MET 1 2HE MET 1 -6.191 5.808 2.365 11 3HE MET 1 3HE MET 1 -7.398 4.706 1.714 12 H LYS 2 H LYS 2 -5.945 7.977 -4.192 13 HA LYS 2 HA LYS 2 -6.012 5.863 -6.047 14 1HB LYS 2 2HB LYS 2 -3.731 7.493 -4.877 15 2HB LYS 2 1HB LYS 2 -3.503 6.387 -6.232 16 1HG LYS 2 2HG LYS 2 -3.971 8.305 -7.413 17 2HG LYS 2 1HG LYS 2 -5.623 7.733 -7.164 18 1HD LYS 2 2HD LYS 2 -6.100 9.356 -5.622 19 2HD LYS 2 1HD LYS 2 -4.458 9.370 -4.975 20 1HE LYS 2 2HE LYS 2 -4.214 10.289 -7.633 21 2HE LYS 2 1HE LYS 2 -5.624 11.131 -6.960 22 1HZ LYS 2 1HZ LYS 2 -3.362 12.139 -6.459 23 2HZ LYS 2 2HZ LYS 2 -3.107 10.812 -5.430 24 3HZ LYS 2 3HZ LYS 2 -4.390 11.887 -5.133 25 H VAL 3 H VAL 3 -4.887 3.706 -5.995 26 HA VAL 3 HA VAL 3 -4.157 2.951 -3.221 27 HB VAL 3 HB VAL 3 -6.128 2.042 -5.228 28 1HG1 VAL 3 1HG1 VAL 3 -4.749 0.042 -4.774 29 2HG1 VAL 3 2HG1 VAL 3 -6.386 -0.107 -4.127 30 3HG1 VAL 3 3HG1 VAL 3 -5.038 0.258 -3.049 31 1HG2 VAL 3 1HG2 VAL 3 -6.688 1.729 -2.432 32 2HG2 VAL 3 2HG2 VAL 3 -7.446 2.798 -3.612 33 3HG2 VAL 3 3HG2 VAL 3 -6.002 3.323 -2.752 34 H ILE 4 H ILE 4 -2.390 1.785 -2.948 35 HA ILE 4 HA ILE 4 -0.896 0.755 -5.283 36 HB ILE 4 HB ILE 4 -0.432 1.717 -2.494 37 1HG1 ILE 4 2HG1 ILE 4 0.307 2.381 -5.188 38 2HG1 ILE 4 1HG1 ILE 4 0.600 3.311 -3.729 39 1HG2 ILE 4 1HG2 ILE 4 1.053 -0.556 -3.730 40 2HG2 ILE 4 2HG2 ILE 4 0.515 -0.334 -2.067 41 3HG2 ILE 4 3HG2 ILE 4 1.891 0.570 -2.665 42 1HD1 ILE 4 1HD1 ILE 4 2.609 1.716 -3.358 43 2HD1 ILE 4 2HD1 ILE 4 2.765 2.942 -4.612 44 3HD1 ILE 4 3HD1 ILE 4 2.394 1.276 -5.051 45 H PHE 5 H PHE 5 -2.249 -1.221 -5.594 46 HA PHE 5 HA PHE 5 -2.826 -2.997 -3.397 47 1HB PHE 5 2HB PHE 5 -2.559 -3.218 -6.366 48 2HB PHE 5 1HB PHE 5 -2.564 -4.699 -5.423 49 HD1 PHE 5 HD1 PHE 5 -4.536 -5.323 -4.053 50 HD2 PHE 5 HD2 PHE 5 -4.599 -1.875 -6.623 51 HE1 PHE 5 HE1 PHE 5 -7.003 -5.298 -3.960 52 HE2 PHE 5 HE2 PHE 5 -7.070 -1.855 -6.517 53 HZ PHE 5 HZ PHE 5 -8.268 -3.568 -5.199 54 H LEU 6 H LEU 6 -1.260 -4.014 -2.201 55 HA LEU 6 HA LEU 6 1.530 -3.917 -3.047 56 1HB LEU 6 2HB LEU 6 1.846 -5.103 -0.846 57 2HB LEU 6 1HB LEU 6 0.921 -3.609 -0.715 58 HG LEU 6 HG LEU 6 -0.870 -5.795 -1.280 59 1HD1 LEU 6 1HD1 LEU 6 0.123 -7.472 -0.135 60 2HD1 LEU 6 2HD1 LEU 6 -0.210 -6.535 1.321 61 3HD1 LEU 6 3HD1 LEU 6 1.353 -6.391 0.519 62 1HD2 LEU 6 1HD2 LEU 6 -1.963 -4.971 0.730 63 2HD2 LEU 6 2HD2 LEU 6 -1.373 -3.587 -0.190 64 3HD2 LEU 6 3HD2 LEU 6 -0.491 -4.141 1.234 65 H LYS 7 H LYS 7 -1.098 -6.165 -3.229 66 HA LYS 7 HA LYS 7 0.779 -8.138 -4.476 67 1HB LYS 7 2HB LYS 7 -1.203 -8.469 -2.276 68 2HB LYS 7 1HB LYS 7 -1.075 -9.779 -3.452 69 1HG LYS 7 2HG LYS 7 1.413 -9.726 -3.117 70 2HG LYS 7 1HG LYS 7 1.149 -8.604 -1.784 71 1HD LYS 7 2HD LYS 7 -0.334 -10.302 -0.705 72 2HD LYS 7 1HD LYS 7 0.070 -11.428 -2.002 73 1HE LYS 7 2HE LYS 7 2.186 -11.813 -1.186 74 2HE LYS 7 1HE LYS 7 2.373 -10.143 -0.613 75 1HZ LYS 7 1HZ LYS 7 1.128 -10.551 1.272 76 2HZ LYS 7 2HZ LYS 7 1.976 -12.014 1.107 77 3HZ LYS 7 3HZ LYS 7 0.354 -11.907 0.611 78 H ASP 8 H ASP 8 -0.621 -9.832 -5.674 79 HA ASP 8 HA ASP 8 -2.233 -8.366 -7.625 80 1HB ASP 8 2HB ASP 8 -2.251 -10.520 -8.768 81 2HB ASP 8 1HB ASP 8 -0.634 -10.242 -8.121 82 H VAL 9 H VAL 9 -4.498 -8.554 -7.909 83 HA VAL 9 HA VAL 9 -5.956 -9.778 -5.599 84 HB VAL 9 HB VAL 9 -7.243 -7.946 -7.593 85 1HG1 VAL 9 1HG1 VAL 9 -8.709 -8.527 -5.885 86 2HG1 VAL 9 2HG1 VAL 9 -8.020 -7.041 -5.235 87 3HG1 VAL 9 3HG1 VAL 9 -7.429 -8.607 -4.677 88 1HG2 VAL 9 1HG2 VAL 9 -5.365 -6.965 -5.412 89 2HG2 VAL 9 2HG2 VAL 9 -6.321 -5.957 -6.498 90 3HG2 VAL 9 3HG2 VAL 9 -4.993 -6.927 -7.137 91 H LYS 10 H LYS 10 -8.434 -10.182 -6.651 92 HA LYS 10 HA LYS 10 -8.100 -12.567 -8.240 93 1HB LYS 10 2HB LYS 10 -10.348 -10.893 -7.162 94 2HB LYS 10 1HB LYS 10 -10.716 -12.149 -8.346 95 1HG LYS 10 2HG LYS 10 -9.419 -13.764 -6.884 96 2HG LYS 10 1HG LYS 10 -9.372 -12.498 -5.657 97 1HD LYS 10 2HD LYS 10 -11.794 -12.439 -5.541 98 2HD LYS 10 1HD LYS 10 -11.927 -13.557 -6.899 99 1HE LYS 10 2HE LYS 10 -10.224 -14.803 -4.992 100 2HE LYS 10 1HE LYS 10 -11.636 -14.191 -4.108 101 1HZ LYS 10 1HZ LYS 10 -12.857 -15.075 -6.246 102 2HZ LYS 10 2HZ LYS 10 -12.520 -16.105 -4.938 103 3HZ LYS 10 3HZ LYS 10 -11.521 -16.116 -6.313 104 H GLY 11 H GLY 11 -6.805 -11.146 -9.937 105 1HA GLY 11 2HA GLY 11 -6.763 -10.466 -12.188 106 2HA GLY 11 1HA GLY 11 -8.465 -10.926 -12.290 107 H LYS 12 H LYS 12 -7.022 -8.565 -10.059 108 HA LYS 12 HA LYS 12 -8.507 -6.405 -11.513 109 1HB LYS 12 2HB LYS 12 -9.291 -7.655 -9.162 110 2HB LYS 12 1HB LYS 12 -8.490 -6.191 -8.590 111 1HG LYS 12 2HG LYS 12 -10.113 -5.494 -10.843 112 2HG LYS 12 1HG LYS 12 -11.098 -6.438 -9.723 113 1HD LYS 12 2HD LYS 12 -11.364 -4.426 -8.677 114 2HD LYS 12 1HD LYS 12 -9.796 -4.818 -7.973 115 1HE LYS 12 2HE LYS 12 -8.809 -3.674 -10.107 116 2HE LYS 12 1HE LYS 12 -10.419 -2.940 -10.245 117 1HZ LYS 12 1HZ LYS 12 -8.581 -2.826 -7.916 118 2HZ LYS 12 2HZ LYS 12 -10.212 -2.358 -7.841 119 3HZ LYS 12 3HZ LYS 12 -9.134 -1.526 -8.856 120 H GLY 13 H GLY 13 -6.250 -6.896 -8.731 121 1HA GLY 13 2HA GLY 13 -4.755 -4.507 -9.749 122 2HA GLY 13 1HA GLY 13 -4.901 -4.889 -8.033 123 H LYS 14 H LYS 14 -2.376 -4.560 -9.078 124 HA LYS 14 HA LYS 14 -1.292 -7.346 -9.119 125 1HB LYS 14 2HB LYS 14 -0.601 -4.871 -10.729 126 2HB LYS 14 1HB LYS 14 0.511 -6.231 -10.590 127 1HG LYS 14 2HG LYS 14 -1.935 -7.420 -11.218 128 2HG LYS 14 1HG LYS 14 -1.885 -5.974 -12.227 129 1HD LYS 14 2HD LYS 14 0.715 -7.100 -12.312 130 2HD LYS 14 1HD LYS 14 -0.418 -8.431 -12.541 131 1HE LYS 14 2HE LYS 14 -1.588 -7.019 -14.298 132 2HE LYS 14 1HE LYS 14 -0.233 -5.879 -14.174 133 1HZ LYS 14 1HZ LYS 14 0.469 -7.355 -15.809 134 2HZ LYS 14 2HZ LYS 14 -0.193 -8.709 -15.024 135 3HZ LYS 14 3HZ LYS 14 1.210 -7.969 -14.413 136 H LYS 15 H LYS 15 1.048 -7.318 -8.346 137 HA LYS 15 HA LYS 15 1.439 -6.413 -5.786 138 1HB LYS 15 2HB LYS 15 3.799 -6.709 -6.226 139 2HB LYS 15 1HB LYS 15 2.918 -7.869 -7.222 140 1HG LYS 15 2HG LYS 15 3.775 -5.146 -8.228 141 2HG LYS 15 1HG LYS 15 4.749 -6.600 -8.430 142 1HD LYS 15 2HD LYS 15 2.524 -7.613 -9.396 143 2HD LYS 15 1HD LYS 15 2.093 -5.917 -9.665 144 1HE LYS 15 2HE LYS 15 4.490 -5.754 -10.734 145 2HE LYS 15 1HE LYS 15 4.357 -7.519 -10.861 146 1HZ LYS 15 1HZ LYS 15 3.361 -5.968 -12.710 147 2HZ LYS 15 2HZ LYS 15 2.048 -5.893 -11.637 148 3HZ LYS 15 3HZ LYS 15 2.568 -7.393 -12.243 149 H GLY 16 H GLY 16 2.095 -4.554 -4.777 150 1HA GLY 16 2HA GLY 16 1.891 -2.179 -4.548 151 2HA GLY 16 1HA GLY 16 3.447 -2.334 -5.334 152 H GLU 17 H GLU 17 0.219 -2.861 -6.821 153 HA GLU 17 HA GLU 17 1.019 -0.986 -8.951 154 1HB GLU 17 2HB GLU 17 -0.480 -2.137 -10.188 155 2HB GLU 17 1HB GLU 17 -0.544 -3.270 -8.844 156 1HG GLU 17 2HG GLU 17 -2.523 -2.260 -7.967 157 2HG GLU 17 1HG GLU 17 -2.341 -0.835 -8.989 158 H ILE 18 H ILE 18 0.634 1.120 -8.793 159 HA ILE 18 HA ILE 18 -1.300 2.106 -6.727 160 HB ILE 18 HB ILE 18 0.513 3.833 -8.385 161 1HG1 ILE 18 2HG1 ILE 18 2.170 3.222 -6.328 162 2HG1 ILE 18 1HG1 ILE 18 1.406 1.651 -6.587 163 1HG2 ILE 18 1HG2 ILE 18 0.555 4.232 -5.536 164 2HG2 ILE 18 2HG2 ILE 18 -1.108 4.107 -6.100 165 3HG2 ILE 18 3HG2 ILE 18 -0.027 5.314 -6.798 166 1HD1 ILE 18 1HD1 ILE 18 3.430 2.939 -8.173 167 2HD1 ILE 18 2HD1 ILE 18 1.978 2.726 -9.151 168 3HD1 ILE 18 3HD1 ILE 18 2.733 1.331 -8.380 169 H LYS 19 H LYS 19 -3.165 2.810 -7.366 170 HA LYS 19 HA LYS 19 -3.595 4.374 -9.798 171 1HB LYS 19 2HB LYS 19 -3.597 1.786 -10.302 172 2HB LYS 19 1HB LYS 19 -5.152 1.794 -9.471 173 1HG LYS 19 2HG LYS 19 -6.198 2.765 -11.221 174 2HG LYS 19 1HG LYS 19 -4.907 3.950 -11.437 175 1HD LYS 19 2HD LYS 19 -4.690 2.721 -13.396 176 2HD LYS 19 1HD LYS 19 -3.569 1.857 -12.342 177 1HE LYS 19 2HE LYS 19 -4.929 0.159 -13.355 178 2HE LYS 19 1HE LYS 19 -5.585 0.363 -11.718 179 1HZ LYS 19 1HZ LYS 19 -7.317 1.686 -12.487 180 2HZ LYS 19 2HZ LYS 19 -7.213 0.478 -13.678 181 3HZ LYS 19 3HZ LYS 19 -6.554 2.017 -13.964 182 H ASN 20 H ASN 20 -6.487 3.132 -9.278 183 HA ASN 20 HA ASN 20 -7.028 4.138 -6.581 184 1HB ASN 20 2HB ASN 20 -8.579 5.852 -7.226 185 2HB ASN 20 1HB ASN 20 -7.094 6.151 -8.158 186 1HD2 ASN 20 1HD2 ASN 20 -7.162 4.612 -10.342 187 2HD2 ASN 20 2HD2 ASN 20 -8.600 4.780 -11.226 188 H VAL 21 H VAL 21 -8.208 2.653 -5.783 189 HA VAL 21 HA VAL 21 -9.902 0.917 -7.469 190 HB VAL 21 HB VAL 21 -8.337 0.410 -5.427 191 1HG1 VAL 21 1HG1 VAL 21 -10.672 0.907 -3.711 192 2HG1 VAL 21 2HG1 VAL 21 -9.682 2.295 -4.161 193 3HG1 VAL 21 3HG1 VAL 21 -8.955 0.928 -3.317 194 1HG2 VAL 21 1HG2 VAL 21 -10.142 -1.205 -4.497 195 2HG2 VAL 21 2HG2 VAL 21 -9.455 -1.440 -6.104 196 3HG2 VAL 21 3HG2 VAL 21 -11.034 -0.671 -5.919 197 H ALA 22 H ALA 22 -11.856 0.848 -5.146 198 HA ALA 22 HA ALA 22 -13.368 3.252 -5.951 199 1HB ALA 22 1HB ALA 22 -13.894 0.808 -4.608 200 2HB ALA 22 2HB ALA 22 -15.054 2.076 -4.995 201 3HB ALA 22 3HB ALA 22 -14.220 2.092 -3.452 202 H ASP 23 H ASP 23 -12.431 5.136 -5.296 203 HA ASP 23 HA ASP 23 -10.409 5.799 -3.699 204 1HB ASP 23 2HB ASP 23 -11.624 7.887 -3.226 205 2HB ASP 23 1HB ASP 23 -12.071 7.307 -4.826 206 H GLY 24 H GLY 24 -13.579 4.828 -2.430 207 1HA GLY 24 2HA GLY 24 -12.584 5.073 0.361 208 2HA GLY 24 1HA GLY 24 -14.244 4.692 -0.102 209 H TYR 25 H TYR 25 -13.616 2.599 -1.946 210 HA TYR 25 HA TYR 25 -13.579 0.215 -0.444 211 1HB TYR 25 2HB TYR 25 -14.078 0.261 -2.795 212 2HB TYR 25 1HB TYR 25 -12.578 1.097 -3.148 213 HD1 TYR 25 HD1 TYR 25 -11.605 -1.488 -0.937 214 HD2 TYR 25 HD2 TYR 25 -12.952 -0.847 -4.965 215 HE1 TYR 25 HE1 TYR 25 -10.615 -3.594 -1.633 216 HE2 TYR 25 HE2 TYR 25 -11.942 -2.992 -5.639 217 HH TYR 25 HH TYR 25 -11.283 -5.115 -4.574 218 H ALA 26 H ALA 26 -10.975 1.815 -2.154 219 HA ALA 26 HA ALA 26 -8.637 0.544 -1.542 220 1HB ALA 26 1HB ALA 26 -7.674 2.839 -1.300 221 2HB ALA 26 2HB ALA 26 -9.271 3.478 -0.939 222 3HB ALA 26 3HB ALA 26 -8.929 2.836 -2.541 223 H ASN 27 H ASN 27 -9.925 2.908 0.880 224 HA ASN 27 HA ASN 27 -8.462 1.442 2.997 225 1HB ASN 27 2HB ASN 27 -8.369 3.864 2.988 226 2HB ASN 27 1HB ASN 27 -10.123 3.979 2.979 227 1HD2 ASN 27 1HD2 ASN 27 -10.573 4.863 4.970 228 2HD2 ASN 27 2HD2 ASN 27 -10.074 4.191 6.435 229 H ASN 28 H ASN 28 -10.358 -0.252 2.094 230 HA ASN 28 HA ASN 28 -12.207 -0.449 4.393 231 1HB ASN 28 2HB ASN 28 -12.928 0.708 1.900 232 2HB ASN 28 1HB ASN 28 -13.723 -0.865 1.978 233 1HD2 ASN 28 1HD2 ASN 28 -14.917 1.910 2.292 234 2HD2 ASN 28 2HD2 ASN 28 -15.692 1.884 3.802 235 H PHE 29 H PHE 29 -10.875 -1.800 1.414 236 HA PHE 29 HA PHE 29 -11.386 -4.547 2.491 237 1HB PHE 29 2HB PHE 29 -12.945 -4.229 0.702 238 2HB PHE 29 1HB PHE 29 -11.812 -3.266 -0.198 239 HD1 PHE 29 HD1 PHE 29 -10.385 -6.290 1.222 240 HD2 PHE 29 HD2 PHE 29 -12.483 -4.718 -2.166 241 HE1 PHE 29 HE1 PHE 29 -9.593 -8.183 -0.142 242 HE2 PHE 29 HE2 PHE 29 -11.703 -6.612 -3.532 243 HZ PHE 29 HZ PHE 29 -10.269 -8.369 -2.522 244 H LEU 30 H LEU 30 -9.390 -2.532 0.326 245 HA LEU 30 HA LEU 30 -7.328 -4.602 0.049 246 1HB LEU 30 2HB LEU 30 -7.153 -1.667 -0.688 247 2HB LEU 30 1HB LEU 30 -6.335 -3.028 -1.472 248 HG LEU 30 HG LEU 30 -9.277 -2.722 -1.277 249 1HD1 LEU 30 1HD1 LEU 30 -7.396 -1.621 -3.275 250 2HD1 LEU 30 2HD1 LEU 30 -8.980 -1.025 -2.772 251 3HD1 LEU 30 3HD1 LEU 30 -8.861 -2.364 -3.910 252 1HD2 LEU 30 1HD2 LEU 30 -8.585 -4.308 -3.503 253 2HD2 LEU 30 2HD2 LEU 30 -9.326 -4.849 -1.997 254 3HD2 LEU 30 3HD2 LEU 30 -7.574 -4.857 -2.166 255 H PHE 31 H PHE 31 -7.761 -1.587 1.709 256 HA PHE 31 HA PHE 31 -5.095 -1.586 2.891 257 1HB PHE 31 2HB PHE 31 -7.676 -0.100 3.270 258 2HB PHE 31 1HB PHE 31 -6.151 0.383 3.978 259 HD1 PHE 31 HD1 PHE 31 -5.421 -1.122 0.810 260 HD2 PHE 31 HD2 PHE 31 -6.984 2.476 2.571 261 HE1 PHE 31 HE1 PHE 31 -4.808 0.190 -1.206 262 HE2 PHE 31 HE2 PHE 31 -6.373 3.750 0.558 263 HZ PHE 31 HZ PHE 31 -5.277 2.603 -1.319 264 H LYS 32 H LYS 32 -8.430 -1.889 4.199 265 HA LYS 32 HA LYS 32 -7.687 -2.408 6.899 266 1HB LYS 32 2HB LYS 32 -10.134 -3.247 5.311 267 2HB LYS 32 1HB LYS 32 -10.037 -3.168 7.071 268 1HG LYS 32 2HG LYS 32 -9.115 -0.673 6.004 269 2HG LYS 32 1HG LYS 32 -10.667 -1.058 5.262 270 1HD LYS 32 2HD LYS 32 -11.636 -0.301 7.150 271 2HD LYS 32 1HD LYS 32 -10.999 -1.738 7.952 272 1HE LYS 32 2HE LYS 32 -9.204 0.653 7.601 273 2HE LYS 32 1HE LYS 32 -10.386 0.630 8.924 274 1HZ LYS 32 1HZ LYS 32 -8.703 -1.731 8.383 275 2HZ LYS 32 2HZ LYS 32 -9.479 -1.281 9.826 276 3HZ LYS 32 3HZ LYS 32 -8.091 -0.448 9.311 277 H GLN 33 H GLN 33 -7.242 -4.420 4.190 278 HA GLN 33 HA GLN 33 -7.200 -6.842 5.971 279 1HB GLN 33 2HB GLN 33 -7.946 -6.402 3.090 280 2HB GLN 33 1HB GLN 33 -7.439 -7.995 3.643 281 1HG GLN 33 2HG GLN 33 -9.180 -7.655 5.538 282 2HG GLN 33 1HG GLN 33 -9.846 -6.398 4.491 283 1HE2 GLN 33 1HE2 GLN 33 -8.472 -9.676 3.841 284 2HE2 GLN 33 2HE2 GLN 33 -9.796 -10.206 2.922 285 H GLY 34 H GLY 34 -5.920 -6.863 2.719 286 1HA GLY 34 2HA GLY 34 -3.197 -6.213 3.387 287 2HA GLY 34 1HA GLY 34 -3.432 -7.959 3.416 288 H LEU 35 H LEU 35 -4.938 -5.568 1.242 289 HA LEU 35 HA LEU 35 -3.773 -7.083 -1.074 290 1HB LEU 35 2HB LEU 35 -6.119 -5.172 -0.996 291 2HB LEU 35 1HB LEU 35 -5.682 -6.239 -2.315 292 HG LEU 35 HG LEU 35 -5.968 -8.088 -0.404 293 1HD1 LEU 35 1HD1 LEU 35 -7.367 -7.551 1.328 294 2HD1 LEU 35 2HD1 LEU 35 -8.269 -6.394 0.352 295 3HD1 LEU 35 3HD1 LEU 35 -6.722 -5.933 1.059 296 1HD2 LEU 35 1HD2 LEU 35 -7.142 -7.837 -2.625 297 2HD2 LEU 35 2HD2 LEU 35 -8.322 -6.806 -1.816 298 3HD2 LEU 35 3HD2 LEU 35 -8.165 -8.500 -1.350 299 H ALA 36 H ALA 36 -4.655 -3.796 0.014 300 HA ALA 36 HA ALA 36 -2.362 -2.686 -1.583 301 1HB ALA 36 1HB ALA 36 -3.871 -1.047 -2.505 302 2HB ALA 36 2HB ALA 36 -5.175 -1.582 -1.444 303 3HB ALA 36 3HB ALA 36 -4.611 -2.629 -2.746 304 H ILE 37 H ILE 37 -2.229 -0.217 -1.111 305 HA ILE 37 HA ILE 37 -2.970 0.365 1.732 306 HB ILE 37 HB ILE 37 -0.780 1.343 2.094 307 1HG1 ILE 37 2HG1 ILE 37 -0.315 0.687 -0.829 308 2HG1 ILE 37 1HG1 ILE 37 -0.380 2.294 -0.110 309 1HG2 ILE 37 1HG2 ILE 37 -0.034 -1.173 0.684 310 2HG2 ILE 37 2HG2 ILE 37 -1.226 -1.275 1.980 311 3HG2 ILE 37 3HG2 ILE 37 0.381 -0.627 2.310 312 1HD1 ILE 37 1HD1 ILE 37 1.895 2.053 -0.029 313 2HD1 ILE 37 2HD1 ILE 37 1.810 0.291 -0.063 314 3HD1 ILE 37 3HD1 ILE 37 1.531 1.159 1.446 315 H GLU 38 H GLU 38 -2.983 2.739 2.132 316 HA GLU 38 HA GLU 38 -4.498 4.160 0.164 317 1HB GLU 38 2HB GLU 38 -4.629 4.703 2.511 318 2HB GLU 38 1HB GLU 38 -2.891 4.992 2.596 319 1HG GLU 38 2HG GLU 38 -3.168 6.871 0.977 320 2HG GLU 38 1HG GLU 38 -4.913 6.624 1.038 321 H ALA 39 H ALA 39 -3.679 4.826 -1.817 322 HA ALA 39 HA ALA 39 -0.898 5.011 -2.428 323 1HB ALA 39 1HB ALA 39 -3.323 6.419 -3.547 324 2HB ALA 39 2HB ALA 39 -2.572 4.946 -4.160 325 3HB ALA 39 3HB ALA 39 -1.736 6.494 -4.308 326 H THR 40 H THR 40 -0.008 6.181 -0.515 327 HA THR 40 HA THR 40 -0.583 9.112 -0.515 328 HB THR 40 HB THR 40 -0.579 8.516 1.713 329 HG1 THR 40 HG1 THR 40 1.541 8.854 2.569 330 1HG2 THR 40 1HG2 THR 40 1.224 6.269 0.851 331 2HG2 THR 40 2HG2 THR 40 -0.324 6.188 1.694 332 3HG2 THR 40 3HG2 THR 40 1.121 6.711 2.553 333 HA PRO 41 HA PRO 41 2.998 10.060 -2.812 334 1HB PRO 41 2HB PRO 41 4.059 12.118 -1.347 335 2HB PRO 41 1HB PRO 41 2.653 12.323 -2.414 336 1HG PRO 41 2HG PRO 41 2.750 11.984 0.543 337 2HG PRO 41 1HG PRO 41 1.722 13.040 -0.437 338 1HD PRO 41 2HD PRO 41 0.855 10.694 0.621 339 2HD PRO 41 1HD PRO 41 0.214 11.372 -0.891 340 H ALA 42 H ALA 42 3.454 10.212 0.741 341 HA ALA 42 HA ALA 42 6.089 9.605 1.143 342 1HB ALA 42 1HB ALA 42 3.900 9.635 2.665 343 2HB ALA 42 2HB ALA 42 5.366 8.820 3.214 344 3HB ALA 42 3HB ALA 42 4.048 7.885 2.507 345 H ASN 43 H ASN 43 3.645 7.018 0.688 346 HA ASN 43 HA ASN 43 5.605 4.933 0.264 347 1HB ASN 43 2HB ASN 43 2.630 5.172 -0.283 348 2HB ASN 43 1HB ASN 43 3.534 3.654 -0.300 349 1HD2 ASN 43 1HD2 ASN 43 2.813 2.625 1.588 350 2HD2 ASN 43 2HD2 ASN 43 2.876 3.317 3.148 351 H LEU 44 H LEU 44 3.339 6.604 -1.959 352 HA LEU 44 HA LEU 44 3.819 5.376 -4.372 353 1HB LEU 44 2HB LEU 44 3.253 8.114 -3.402 354 2HB LEU 44 1HB LEU 44 3.915 8.053 -5.036 355 HG LEU 44 HG LEU 44 1.453 7.926 -5.097 356 1HD1 LEU 44 1HD1 LEU 44 3.228 6.309 -6.424 357 2HD1 LEU 44 2HD1 LEU 44 1.506 6.413 -6.789 358 3HD1 LEU 44 3HD1 LEU 44 2.111 5.128 -5.744 359 1HD2 LEU 44 1HD2 LEU 44 1.973 5.698 -3.150 360 2HD2 LEU 44 2HD2 LEU 44 0.546 5.635 -4.185 361 3HD2 LEU 44 3HD2 LEU 44 0.770 6.986 -3.074 362 H LYS 45 H LYS 45 6.036 7.601 -2.684 363 HA LYS 45 HA LYS 45 8.017 7.563 -4.838 364 1HB LYS 45 2HB LYS 45 7.696 8.676 -2.087 365 2HB LYS 45 1HB LYS 45 9.348 8.474 -2.674 366 1HG LYS 45 2HG LYS 45 8.742 9.727 -4.737 367 2HG LYS 45 1HG LYS 45 7.129 9.991 -4.078 368 1HD LYS 45 2HD LYS 45 7.879 11.782 -2.952 369 2HD LYS 45 1HD LYS 45 9.021 10.758 -2.083 370 1HE LYS 45 2HE LYS 45 10.558 10.956 -4.118 371 2HE LYS 45 1HE LYS 45 9.475 12.243 -4.687 372 1HZ LYS 45 1HZ LYS 45 10.609 12.177 -1.950 373 2HZ LYS 45 2HZ LYS 45 9.809 13.468 -2.712 374 3HZ LYS 45 3HZ LYS 45 11.360 12.999 -3.230 375 H ALA 46 H ALA 46 7.372 5.753 -1.890 376 HA ALA 46 HA ALA 46 9.878 4.398 -1.621 377 1HB ALA 46 1HB ALA 46 8.584 3.917 0.193 378 2HB ALA 46 2HB ALA 46 7.889 2.640 -0.806 379 3HB ALA 46 3HB ALA 46 7.092 4.209 -0.699 380 H LEU 47 H LEU 47 6.964 3.736 -3.544 381 HA LEU 47 HA LEU 47 7.410 1.184 -4.566 382 1HB LEU 47 2HB LEU 47 6.018 3.613 -5.248 383 2HB LEU 47 1HB LEU 47 6.723 2.952 -6.718 384 HG LEU 47 HG LEU 47 4.343 2.174 -6.023 385 1HD1 LEU 47 1HD1 LEU 47 4.702 0.479 -7.475 386 2HD1 LEU 47 2HD1 LEU 47 5.893 -0.281 -6.419 387 3HD1 LEU 47 3HD1 LEU 47 6.378 1.022 -7.503 388 1HD2 LEU 47 1HD2 LEU 47 4.107 0.621 -4.314 389 2HD2 LEU 47 2HD2 LEU 47 5.389 1.627 -3.637 390 3HD2 LEU 47 3HD2 LEU 47 5.789 0.097 -4.418 391 H GLU 48 H GLU 48 9.317 4.081 -5.116 392 HA GLU 48 HA GLU 48 10.701 3.150 -7.481 393 1HB GLU 48 2HB GLU 48 10.389 5.506 -6.227 394 2HB GLU 48 1HB GLU 48 11.922 5.025 -5.505 395 1HG GLU 48 2HG GLU 48 11.772 4.614 -8.422 396 2HG GLU 48 1HG GLU 48 11.689 6.301 -7.920 397 H ALA 49 H ALA 49 11.249 2.923 -3.967 398 HA ALA 49 HA ALA 49 13.888 1.987 -3.865 399 1HB ALA 49 1HB ALA 49 11.428 1.791 -2.281 400 2HB ALA 49 2HB ALA 49 13.091 1.981 -1.731 401 3HB ALA 49 3HB ALA 49 12.458 0.373 -2.082 402 H GLN 50 H GLN 50 10.922 0.210 -4.689 403 HA GLN 50 HA GLN 50 11.921 -2.411 -4.877 404 1HB GLN 50 2HB GLN 50 9.553 -1.456 -5.183 405 2HB GLN 50 1HB GLN 50 10.023 -1.100 -6.845 406 1HG GLN 50 2HG GLN 50 10.652 -3.845 -5.926 407 2HG GLN 50 1HG GLN 50 8.931 -3.473 -6.065 408 1HE2 GLN 50 1HE2 GLN 50 8.874 -4.959 -7.969 409 2HE2 GLN 50 2HE2 GLN 50 9.432 -4.411 -9.475 410 H LYS 51 H LYS 51 12.639 0.371 -6.833 411 HA LYS 51 HA LYS 51 13.722 -1.206 -9.093 412 1HB LYS 51 2HB LYS 51 12.522 0.810 -9.598 413 2HB LYS 51 1HB LYS 51 13.441 1.730 -8.412 414 1HG LYS 51 2HG LYS 51 15.461 0.808 -9.995 415 2HG LYS 51 1HG LYS 51 14.165 0.976 -11.180 416 1HD LYS 51 2HD LYS 51 14.234 3.235 -11.088 417 2HD LYS 51 1HD LYS 51 14.293 3.236 -9.325 418 1HE LYS 51 2HE LYS 51 16.711 2.523 -11.009 419 2HE LYS 51 1HE LYS 51 16.368 4.183 -10.484 420 1HZ LYS 51 1HZ LYS 51 17.753 2.969 -8.872 421 2HZ LYS 51 2HZ LYS 51 16.510 1.828 -8.675 422 3HZ LYS 51 3HZ LYS 51 16.267 3.444 -8.211 423 H GLN 52 H GLN 52 14.934 0.516 -6.243 424 HA GLN 52 HA GLN 52 17.670 0.707 -7.135 425 1HB GLN 52 2HB GLN 52 18.055 1.367 -4.826 426 2HB GLN 52 1HB GLN 52 16.527 2.067 -5.357 427 1HG GLN 52 2HG GLN 52 15.309 0.810 -3.912 428 2HG GLN 52 1HG GLN 52 16.301 -0.625 -4.162 429 1HE2 GLN 52 1HE2 GLN 52 17.806 2.436 -3.301 430 2HE2 GLN 52 2HE2 GLN 52 18.215 2.005 -1.710 431 H LYS 53 H LYS 53 19.457 -0.531 -6.259 432 HA LYS 53 HA LYS 53 18.774 -3.412 -5.878 433 1HB LYS 53 2HB LYS 53 20.844 -1.825 -7.210 434 2HB LYS 53 1HB LYS 53 21.520 -3.135 -6.244 435 1HG LYS 53 2HG LYS 53 20.232 -4.785 -7.417 436 2HG LYS 53 1HG LYS 53 19.255 -3.547 -8.212 437 1HD LYS 53 2HD LYS 53 20.786 -3.269 -9.848 438 2HD LYS 53 1HD LYS 53 22.101 -3.131 -8.681 439 1HE LYS 53 2HE LYS 53 22.613 -5.091 -9.952 440 2HE LYS 53 1HE LYS 53 21.904 -5.710 -8.448 441 1HZ LYS 53 1HZ LYS 53 20.262 -5.062 -10.826 442 2HZ LYS 53 2HZ LYS 53 19.819 -5.970 -9.460 443 3HZ LYS 53 3HZ LYS 53 20.925 -6.605 -10.583 444 H GLU 54 H GLU 54 21.235 -4.190 -4.728 445 HA GLU 54 HA GLU 54 20.762 -3.900 -1.944 446 1HB GLU 54 2HB GLU 54 22.677 -5.090 -3.770 447 2HB GLU 54 1HB GLU 54 23.496 -4.451 -2.345 448 1HG GLU 54 2HG GLU 54 21.813 -5.670 -0.920 449 2HG GLU 54 1HG GLU 54 21.195 -6.424 -2.391 450 H GLN 55 H GLN 55 23.712 -2.662 -3.566 451 HA GLN 55 HA GLN 55 23.432 -0.086 -2.075 452 1HB GLN 55 2HB GLN 55 24.996 -2.281 -1.274 453 2HB GLN 55 1HB GLN 55 26.138 -1.157 -2.009 454 1HG GLN 55 2HG GLN 55 24.712 0.597 -0.551 455 2HG GLN 55 1HG GLN 55 24.484 -0.842 0.446 456 1HE2 GLN 55 1HE2 GLN 55 27.314 0.338 -1.468 457 2HE2 GLN 55 2HE2 GLN 55 28.404 0.271 -0.168 458 H ARG 56 HN ARG 56 23.135 -0.597 -4.894 459 HA ARG 56 HA ARG 56 25.582 0.781 -5.956 460 1HB ARG 56 2HB ARG 56 25.333 -1.664 -6.520 461 2HB ARG 56 1HB ARG 56 23.826 -1.263 -7.347 462 1HG ARG 56 2HG ARG 56 25.010 0.225 -8.880 463 2HG ARG 56 1HG ARG 56 26.521 -0.037 -8.010 464 1HD ARG 56 2HD ARG 56 24.946 -2.254 -9.370 465 2HD ARG 56 1HD ARG 56 26.356 -1.443 -10.082 466 HE ARG 56 HE ARG 56 27.322 -2.152 -7.636 467 1HH1 ARG 56 1HH1 ARG 56 25.930 -3.770 -10.328 468 2HH1 ARG 56 2HH1 ARG 56 26.425 -5.349 -9.813 469 1HH2 ARG 56 1HH2 ARG 56 27.775 -4.238 -6.819 470 2HH2 ARG 56 2HH2 ARG 56 27.475 -5.612 -7.829
Contact the webmaster for help, if required. Friday, May 10, 2024 2:07:17 AM GMT (wattos1)