NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20355 | 2flg | 7010 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASN 1 1HT ASN 1 1.808 0.001 0.855 2 HA ASN 1 HA ASN 1 1.399 -0.132 -2.058 3 1HB ASN 1 1HB ASN 1 3.465 1.500 -0.566 4 2HB ASN 1 2HB ASN 1 3.422 1.293 -2.315 5 1HD2 ASN 1 1HD2 ASN 1 1.976 2.434 -3.516 6 2HD2 ASN 1 2HD2 ASN 1 0.952 3.663 -2.864 7 H ILE 2 H ILE 2 1.847 -2.301 -0.211 8 HA ILE 2 HA ILE 2 4.594 -3.097 -0.359 9 HB ILE 2 HB ILE 2 2.177 -4.806 0.240 10 1HG1 ILE 2 1HG1 ILE 2 2.362 -2.869 1.762 11 2HG1 ILE 2 2HG1 ILE 2 2.666 -4.390 2.595 12 1HG2 ILE 2 1HG2 ILE 2 3.945 -6.261 -0.227 13 2HG2 ILE 2 2HG2 ILE 2 5.131 -5.217 0.554 14 3HG2 ILE 2 3HG2 ILE 2 3.964 -6.110 1.530 15 1HD1 ILE 2 1HD1 ILE 2 4.250 -2.122 2.632 16 2HD1 ILE 2 2HD1 ILE 2 4.686 -3.729 3.214 17 3HD1 ILE 2 3HD1 ILE 2 5.107 -3.241 1.573 18 H SER 3 H SER 3 5.614 -4.233 -1.891 19 HA SER 3 HA SER 3 4.458 -4.602 -4.435 20 1HB SER 3 1HB SER 3 7.041 -5.435 -3.159 21 2HB SER 3 2HB SER 3 6.602 -6.084 -4.739 22 HG SER 3 HG SER 3 7.298 -3.495 -4.004 23 H GLN 4 H GLN 4 2.820 -5.980 -4.730 24 HA GLN 4 HA GLN 4 2.997 -8.657 -3.526 25 1HB GLN 4 1HB GLN 4 0.602 -8.820 -3.811 26 2HB GLN 4 2HB GLN 4 0.985 -7.321 -2.975 27 1HG GLN 4 1HG GLN 4 -0.530 -6.536 -4.465 28 2HG GLN 4 2HG GLN 4 0.935 -6.353 -5.429 29 1HE2 GLN 4 1HE2 GLN 4 0.997 -7.285 -7.357 30 2HE2 GLN 4 2HE2 GLN 4 -0.125 -8.460 -7.943 31 H HIS 5 H HIS 5 1.470 -10.189 -5.047 32 HA HIS 5 HA HIS 5 2.293 -9.882 -7.835 33 1HB HIS 5 1HB HIS 5 2.977 -12.344 -7.818 34 2HB HIS 5 2HB HIS 5 4.089 -11.209 -7.059 35 HD1 HIS 5 HD1 HIS 5 5.082 -13.103 -5.594 36 HD2 HIS 5 HD2 HIS 5 1.033 -12.407 -4.976 37 HE1 HIS 5 HE1 HIS 5 4.506 -14.323 -3.472 38 H GLN 6 H GLN 6 1.280 -11.656 -9.211 39 HA GLN 6 HA GLN 6 -1.135 -12.838 -8.148 40 1HB GLN 6 1HB GLN 6 -1.391 -10.298 -9.092 41 2HB GLN 6 2HB GLN 6 -1.699 -11.229 -10.551 42 1HG GLN 6 1HG GLN 6 -3.642 -12.096 -9.762 43 2HG GLN 6 2HG GLN 6 -3.109 -12.056 -8.083 44 1HE2 GLN 6 1HE2 GLN 6 -5.526 -11.259 -8.278 45 2HE2 GLN 6 2HE2 GLN 6 -5.698 -9.540 -8.259 46 H CYS 7 H CYS 7 -2.441 -13.518 -10.420 47 HA CYS 7 HA CYS 7 -0.534 -15.338 -11.670 48 1HB CYS 7 1HB CYS 7 -3.514 -15.318 -12.110 49 2HB CYS 7 2HB CYS 7 -2.389 -16.657 -12.311 50 H VAL 8 H VAL 8 -0.218 -15.497 -13.884 51 HA VAL 8 HA VAL 8 -1.250 -13.240 -15.477 52 HB VAL 8 HB VAL 8 1.423 -14.591 -15.861 53 1HG1 VAL 8 1HG1 VAL 8 1.574 -13.448 -17.760 54 2HG1 VAL 8 2HG1 VAL 8 -0.114 -12.975 -17.557 55 3HG1 VAL 8 3HG1 VAL 8 1.173 -11.940 -16.939 56 1HG2 VAL 8 1HG2 VAL 8 0.846 -11.913 -14.598 57 2HG2 VAL 8 2HG2 VAL 8 1.321 -13.368 -13.720 58 3HG2 VAL 8 3HG2 VAL 8 2.436 -12.627 -14.868 59 H LYS 9 H LYS 9 -0.573 -16.647 -15.311 60 HA LYS 9 HA LYS 9 -2.091 -17.030 -17.788 61 1HB LYS 9 1HB LYS 9 0.586 -18.268 -17.148 62 2HB LYS 9 2HB LYS 9 -0.494 -18.904 -18.382 63 1HG LYS 9 1HG LYS 9 0.223 -16.027 -18.512 64 2HG LYS 9 2HG LYS 9 1.450 -17.215 -18.958 65 1HD LYS 9 1HD LYS 9 0.447 -16.906 -20.990 66 2HD LYS 9 2HD LYS 9 -0.544 -18.226 -20.365 67 1HE LYS 9 1HE LYS 9 -2.340 -16.842 -19.921 68 2HE LYS 9 2HE LYS 9 -1.334 -15.397 -19.822 69 1HZ LYS 9 1HZ LYS 9 -0.960 -15.659 -22.263 70 2HZ LYS 9 2HZ LYS 9 -2.550 -15.275 -21.831 71 3HZ LYS 9 3HZ LYS 9 -2.152 -16.860 -22.268 72 H LYS 10 H LYS 10 -2.971 -17.266 -15.115 73 HA LYS 10 HA LYS 10 -3.477 -20.164 -14.987 74 1HB LYS 10 1HB LYS 10 -1.938 -19.251 -13.169 75 2HB LYS 10 2HB LYS 10 -3.340 -18.381 -12.559 76 1HG LYS 10 1HG LYS 10 -3.077 -20.403 -11.309 77 2HG LYS 10 2HG LYS 10 -4.520 -20.545 -12.317 78 1HD LYS 10 1HD LYS 10 -3.545 -22.089 -13.726 79 2HD LYS 10 2HD LYS 10 -1.906 -21.550 -13.353 80 1HE LYS 10 1HE LYS 10 -3.312 -22.591 -11.027 81 2HE LYS 10 2HE LYS 10 -3.167 -23.778 -12.323 82 1HZ LYS 10 1HZ LYS 10 -1.049 -22.450 -10.778 83 2HZ LYS 10 2HZ LYS 10 -0.715 -22.974 -12.350 84 3HZ LYS 10 3HZ LYS 10 -1.220 -24.085 -11.178 85 H GLN 11 H GLN 11 -5.559 -20.712 -15.043 86 HA GLN 11 HA GLN 11 -7.575 -18.673 -15.184 87 1HB GLN 11 1HB GLN 11 -7.796 -21.687 -15.229 88 2HB GLN 11 2HB GLN 11 -9.126 -20.578 -15.540 89 1HG GLN 11 1HG GLN 11 -6.752 -20.106 -17.184 90 2HG GLN 11 2HG GLN 11 -7.522 -21.671 -17.438 91 1HE2 GLN 11 1HE2 GLN 11 -9.999 -21.486 -17.568 92 2HE2 GLN 11 2HE2 GLN 11 -10.596 -20.231 -18.594 93 H CYS 12 H CYS 12 -8.680 -17.858 -13.541 94 HA CYS 12 HA CYS 12 -9.260 -19.534 -11.214 95 1HB CYS 12 1HB CYS 12 -8.149 -16.736 -10.940 96 2HB CYS 12 2HB CYS 12 -8.532 -17.859 -9.639 97 HA PRO 13 HA PRO 13 -13.234 -17.682 -11.388 98 1HB PRO 13 1HB PRO 13 -13.947 -17.704 -8.768 99 2HB PRO 13 2HB PRO 13 -13.869 -19.168 -9.755 100 1HG PRO 13 1HG PRO 13 -11.868 -18.087 -7.809 101 2HG PRO 13 2HG PRO 13 -12.415 -19.758 -8.039 102 1HD PRO 13 1HD PRO 13 -10.076 -18.839 -9.046 103 2HD PRO 13 2HD PRO 13 -11.038 -20.091 -9.857 104 H GLN 14 H GLN 14 -14.543 -15.856 -10.610 105 HA GLN 14 HA GLN 14 -12.861 -13.529 -10.152 106 1HB GLN 14 1HB GLN 14 -14.854 -12.226 -10.696 107 2HB GLN 14 2HB GLN 14 -14.553 -13.446 -11.926 108 1HG GLN 14 1HG GLN 14 -16.306 -14.831 -11.077 109 2HG GLN 14 2HG GLN 14 -16.527 -13.776 -9.682 110 1HE2 GLN 14 1HE2 GLN 14 -17.363 -11.650 -10.047 111 2HE2 GLN 14 2HE2 GLN 14 -18.379 -11.339 -11.409 112 H ASN 15 H ASN 15 -14.325 -15.714 -8.216 113 HA ASN 15 HA ASN 15 -15.045 -13.730 -6.166 114 1HB ASN 15 1HB ASN 15 -15.904 -16.585 -6.602 115 2HB ASN 15 2HB ASN 15 -16.141 -15.773 -5.057 116 1HD2 ASN 15 1HD2 ASN 15 -17.607 -14.079 -4.911 117 2HD2 ASN 15 2HD2 ASN 15 -18.802 -13.792 -6.125 118 H SER 16 H SER 16 -12.347 -14.911 -6.980 119 HA SER 16 HA SER 16 -11.511 -15.589 -4.248 120 1HB SER 16 1HB SER 16 -10.536 -17.011 -6.737 121 2HB SER 16 2HB SER 16 -9.998 -17.318 -5.085 122 HG SER 16 HG SER 16 -11.536 -18.811 -5.391 123 H GLY 17 H GLY 17 -8.973 -15.587 -4.199 124 1HA GLY 17 1HA GLY 17 -8.034 -13.274 -5.778 125 2HA GLY 17 2HA GLY 17 -7.718 -13.407 -4.054 126 H CYS 18 H CYS 18 -7.295 -15.318 -7.035 127 HA CYS 18 HA CYS 18 -5.317 -17.027 -6.195 128 1HB CYS 18 1HB CYS 18 -4.958 -17.522 -8.418 129 2HB CYS 18 2HB CYS 18 -6.531 -16.737 -8.518 130 H PHE 19 H PHE 19 -2.973 -16.995 -6.858 131 HA PHE 19 HA PHE 19 -1.593 -14.564 -7.237 132 1HB PHE 19 1HB PHE 19 -0.673 -14.139 -5.079 133 2HB PHE 19 2HB PHE 19 -2.415 -14.274 -4.862 134 HD1 PHE 19 HD1 PHE 19 -3.182 -16.820 -4.403 135 HD2 PHE 19 HD2 PHE 19 0.627 -15.152 -3.498 136 HE1 PHE 19 HE1 PHE 19 -2.836 -18.551 -2.688 137 HE2 PHE 19 HE2 PHE 19 0.981 -16.880 -1.783 138 HZ PHE 19 HZ PHE 19 -0.752 -18.583 -1.376 139 H ARG 20 H ARG 20 0.511 -14.927 -7.775 140 HA ARG 20 HA ARG 20 1.321 -17.692 -8.024 141 1HB ARG 20 1HB ARG 20 1.630 -15.694 -9.717 142 2HB ARG 20 2HB ARG 20 3.093 -15.409 -8.784 143 1HG ARG 20 1HG ARG 20 4.151 -17.158 -9.685 144 2HG ARG 20 2HG ARG 20 2.727 -18.195 -9.582 145 1HD ARG 20 1HD ARG 20 2.258 -17.872 -11.732 146 2HD ARG 20 2HD ARG 20 2.334 -16.121 -11.539 147 HE ARG 20 HE ARG 20 4.305 -17.778 -12.718 148 1HH1 ARG 20 1HH1 ARG 20 3.925 -14.960 -10.709 149 2HH1 ARG 20 2HH1 ARG 20 5.434 -14.256 -11.186 150 1HH2 ARG 20 1HH2 ARG 20 6.294 -16.860 -13.354 151 2HH2 ARG 20 2HH2 ARG 20 6.781 -15.337 -12.692 152 H HIS 21 H HIS 21 2.330 -18.699 -6.425 153 HA HIS 21 HA HIS 21 3.439 -17.453 -4.174 154 1HB HIS 21 1HB HIS 21 3.502 -20.211 -5.306 155 2HB HIS 21 2HB HIS 21 4.653 -19.813 -4.033 156 HD1 HIS 21 HD1 HIS 21 3.443 -18.755 -1.793 157 HD2 HIS 21 HD2 HIS 21 1.089 -21.004 -4.373 158 HE1 HIS 21 HE1 HIS 21 1.426 -19.427 -0.450 159 H LEU 22 H LEU 22 5.782 -17.886 -3.472 160 HA LEU 22 HA LEU 22 7.493 -16.442 -5.201 161 1HB LEU 22 1HB LEU 22 8.423 -18.140 -2.908 162 2HB LEU 22 2HB LEU 22 9.140 -16.658 -3.536 163 HG LEU 22 HG LEU 22 6.608 -16.914 -1.919 164 1HD1 LEU 22 1HD1 LEU 22 8.647 -17.075 -0.612 165 2HD1 LEU 22 2HD1 LEU 22 7.840 -15.537 -0.309 166 3HD1 LEU 22 3HD1 LEU 22 9.260 -15.596 -1.352 167 1HD2 LEU 22 1HD2 LEU 22 6.286 -15.219 -3.617 168 2HD2 LEU 22 2HD2 LEU 22 7.835 -14.479 -3.211 169 3HD2 LEU 22 3HD2 LEU 22 6.513 -14.457 -2.042 170 H ASP 23 H ASP 23 6.792 -19.795 -4.859 171 HA ASP 23 HA ASP 23 9.188 -20.585 -6.336 172 1HB ASP 23 1HB ASP 23 6.988 -22.317 -5.189 173 2HB ASP 23 2HB ASP 23 8.521 -22.878 -5.851 174 H GLU 24 H GLU 24 6.947 -19.026 -7.515 175 HA GLU 24 HA GLU 24 5.775 -18.919 -9.462 176 1HB GLU 24 1HB GLU 24 7.296 -21.362 -10.353 177 2HB GLU 24 2HB GLU 24 6.638 -20.072 -11.349 178 1HG GLU 24 1HG GLU 24 8.269 -18.514 -10.414 179 2HG GLU 24 2HG GLU 24 8.932 -19.810 -9.419 180 H ARG 25 H ARG 25 4.376 -20.094 -7.483 181 HA ARG 25 HA ARG 25 2.899 -22.211 -8.897 182 1HB ARG 25 1HB ARG 25 4.065 -23.333 -7.138 183 2HB ARG 25 2HB ARG 25 3.628 -22.091 -5.972 184 1HG ARG 25 1HG ARG 25 1.571 -22.953 -5.618 185 2HG ARG 25 2HG ARG 25 1.391 -23.496 -7.287 186 1HD ARG 25 1HD ARG 25 3.091 -24.804 -5.166 187 2HD ARG 25 2HD ARG 25 1.533 -25.387 -5.749 188 HE ARG 25 HE ARG 25 3.267 -25.117 -7.934 189 1HH1 ARG 25 1HH1 ARG 25 2.854 -27.068 -5.080 190 2HH1 ARG 25 2HH1 ARG 25 3.615 -28.465 -5.766 191 1HH2 ARG 25 1HH2 ARG 25 4.272 -26.950 -8.848 192 2HH2 ARG 25 2HH2 ARG 25 4.423 -28.396 -7.909 193 H GLU 26 H GLU 26 1.111 -21.179 -9.555 194 HA GLU 26 HA GLU 26 -0.113 -19.079 -8.033 195 1HB GLU 26 1HB GLU 26 -1.317 -20.548 -10.377 196 2HB GLU 26 2HB GLU 26 -1.701 -18.928 -9.811 197 1HG GLU 26 1HG GLU 26 -0.366 -18.337 -11.520 198 2HG GLU 26 2HG GLU 26 0.900 -18.597 -10.322 199 H GLU 27 H GLU 27 -1.783 -19.177 -6.649 200 HA GLU 27 HA GLU 27 -3.207 -21.738 -6.373 201 1HB GLU 27 1HB GLU 27 -1.377 -20.935 -4.563 202 2HB GLU 27 2HB GLU 27 -2.800 -20.128 -3.921 203 1HG GLU 27 1HG GLU 27 -2.852 -22.127 -2.803 204 2HG GLU 27 2HG GLU 27 -3.916 -22.456 -4.169 205 H CYS 28 H CYS 28 -5.073 -21.089 -7.362 206 HA CYS 28 HA CYS 28 -6.315 -18.570 -6.877 207 1HB CYS 28 1HB CYS 28 -7.659 -21.043 -7.968 208 2HB CYS 28 2HB CYS 28 -8.099 -19.362 -8.252 209 H LYS 29 H LYS 29 -6.329 -18.581 -4.540 210 HA LYS 29 HA LYS 29 -8.344 -20.343 -3.332 211 1HB LYS 29 1HB LYS 29 -6.268 -20.427 -2.155 212 2HB LYS 29 2HB LYS 29 -6.133 -18.673 -2.138 213 1HG LYS 29 1HG LYS 29 -7.536 -18.441 -0.378 214 2HG LYS 29 2HG LYS 29 -8.514 -19.840 -0.830 215 1HD LYS 29 1HD LYS 29 -7.486 -20.862 0.882 216 2HD LYS 29 2HD LYS 29 -6.115 -20.998 -0.223 217 1HE LYS 29 1HE LYS 29 -5.283 -20.091 1.809 218 2HE LYS 29 2HE LYS 29 -5.331 -18.773 0.639 219 1HZ LYS 29 1HZ LYS 29 -7.649 -19.179 2.387 220 2HZ LYS 29 2HZ LYS 29 -7.039 -17.748 1.723 221 3HZ LYS 29 3HZ LYS 29 -6.263 -18.464 3.044 222 H CYS 30 H CYS 30 -10.099 -19.536 -2.214 223 HA CYS 30 HA CYS 30 -11.289 -17.197 -3.137 224 1HB CYS 30 1HB CYS 30 -11.894 -18.460 -0.464 225 2HB CYS 30 2HB CYS 30 -12.992 -17.565 -1.509 226 H LEU 31 H LEU 31 -11.626 -15.159 -2.228 227 HA LEU 31 HA LEU 31 -9.445 -13.929 -1.025 228 1HB LEU 31 1HB LEU 31 -12.327 -13.047 -0.956 229 2HB LEU 31 2HB LEU 31 -10.928 -12.024 -0.636 230 HG LEU 31 HG LEU 31 -10.992 -13.368 -3.268 231 1HD1 LEU 31 1HD1 LEU 31 -13.050 -11.407 -2.370 232 2HD1 LEU 31 2HD1 LEU 31 -13.212 -12.802 -3.436 233 3HD1 LEU 31 3HD1 LEU 31 -12.439 -11.330 -4.022 234 1HD2 LEU 31 1HD2 LEU 31 -9.810 -11.514 -3.955 235 2HD2 LEU 31 2HD2 LEU 31 -9.314 -11.640 -2.267 236 3HD2 LEU 31 3HD2 LEU 31 -10.540 -10.464 -2.740 237 H LEU 32 H LEU 32 -9.896 -12.511 1.089 238 HA LEU 32 HA LEU 32 -9.978 -14.408 3.235 239 1HB LEU 32 1HB LEU 32 -9.453 -11.492 2.970 240 2HB LEU 32 2HB LEU 32 -9.871 -12.124 4.561 241 HG LEU 32 HG LEU 32 -7.427 -11.894 4.156 242 1HD1 LEU 32 1HD1 LEU 32 -7.914 -14.804 4.457 243 2HD1 LEU 32 2HD1 LEU 32 -8.697 -13.715 5.601 244 3HD1 LEU 32 3HD1 LEU 32 -6.941 -13.707 5.438 245 1HD2 LEU 32 1HD2 LEU 32 -7.809 -12.745 1.693 246 2HD2 LEU 32 2HD2 LEU 32 -7.519 -14.320 2.433 247 3HD2 LEU 32 3HD2 LEU 32 -6.294 -13.055 2.542 248 H ASN 33 H ASN 33 -12.365 -12.839 1.559 249 HA ASN 33 HA ASN 33 -14.169 -12.764 3.883 250 1HB ASN 33 1HB ASN 33 -14.687 -11.502 1.190 251 2HB ASN 33 2HB ASN 33 -15.526 -11.195 2.707 252 1HD2 ASN 33 1HD2 ASN 33 -12.669 -10.600 0.836 253 2HD2 ASN 33 2HD2 ASN 33 -12.052 -9.312 1.809 254 H TYR 34 H TYR 34 -13.390 -15.179 2.459 255 HA TYR 34 HA TYR 34 -16.070 -16.050 1.643 256 1HB TYR 34 1HB TYR 34 -13.498 -16.514 0.136 257 2HB TYR 34 2HB TYR 34 -14.934 -17.501 -0.112 258 HD1 TYR 34 HD1 TYR 34 -16.444 -16.875 -1.750 259 HD2 TYR 34 HD2 TYR 34 -13.879 -13.919 -0.083 260 HE1 TYR 34 HE1 TYR 34 -17.302 -15.230 -3.363 261 HE2 TYR 34 HE2 TYR 34 -14.731 -12.264 -1.691 262 HH TYR 34 HH TYR 34 -15.943 -12.663 -4.271 263 H LYS 35 H LYS 35 -16.498 -17.258 3.418 264 HA LYS 35 HA LYS 35 -14.517 -19.046 4.532 265 1HB LYS 35 1HB LYS 35 -17.437 -18.939 5.267 266 2HB LYS 35 2HB LYS 35 -16.087 -19.481 6.256 267 1HG LYS 35 1HG LYS 35 -15.267 -17.224 6.454 268 2HG LYS 35 2HG LYS 35 -16.514 -16.641 5.350 269 1HD LYS 35 1HD LYS 35 -17.115 -16.186 7.672 270 2HD LYS 35 2HD LYS 35 -18.244 -17.327 6.938 271 1HE LYS 35 1HE LYS 35 -17.668 -18.044 9.181 272 2HE LYS 35 2HE LYS 35 -17.031 -19.183 7.997 273 1HZ LYS 35 1HZ LYS 35 -15.311 -17.000 8.945 274 2HZ LYS 35 2HZ LYS 35 -14.885 -18.543 8.398 275 3HZ LYS 35 3HZ LYS 35 -15.548 -18.347 9.942 276 H GLN 36 H GLN 36 -14.067 -20.732 3.216 277 HA GLN 36 HA GLN 36 -15.717 -22.023 1.434 278 1HB GLN 36 1HB GLN 36 -13.142 -22.329 2.156 279 2HB GLN 36 2HB GLN 36 -13.830 -23.750 2.931 280 1HG GLN 36 1HG GLN 36 -12.958 -24.211 0.682 281 2HG GLN 36 2HG GLN 36 -14.682 -24.547 0.832 282 1HE2 GLN 36 1HE2 GLN 36 -14.464 -24.435 -1.555 283 2HE2 GLN 36 2HE2 GLN 36 -14.653 -22.892 -2.308 284 H GLU 37 H GLU 37 -17.633 -22.926 1.764 285 HA GLU 37 HA GLU 37 -18.204 -24.188 4.345 286 1HB GLU 37 1HB GLU 37 -19.769 -22.467 3.446 287 2HB GLU 37 2HB GLU 37 -20.107 -23.533 2.090 288 1HG GLU 37 1HG GLU 37 -21.102 -25.159 3.517 289 2HG GLU 37 2HG GLU 37 -20.575 -24.294 4.960 290 H GLY 38 H GLY 38 -18.317 -24.853 0.863 291 1HA GLY 38 1HA GLY 38 -18.260 -27.728 1.519 292 2HA GLY 38 2HA GLY 38 -19.352 -27.112 0.287 293 H ASP 39 H ASP 39 -18.635 -26.917 -1.752 294 HA ASP 39 HA ASP 39 -15.740 -27.229 -2.212 295 1HB ASP 39 1HB ASP 39 -18.043 -28.473 -3.719 296 2HB ASP 39 2HB ASP 39 -16.393 -28.437 -4.334 297 H LYS 40 H LYS 40 -17.174 -24.761 -2.000 298 HA LYS 40 HA LYS 40 -16.333 -23.547 -4.457 299 1HB LYS 40 1HB LYS 40 -18.613 -22.474 -4.845 300 2HB LYS 40 2HB LYS 40 -18.442 -24.160 -5.316 301 1HG LYS 40 1HG LYS 40 -19.797 -24.915 -3.625 302 2HG LYS 40 2HG LYS 40 -19.481 -23.512 -2.600 303 1HD LYS 40 1HD LYS 40 -20.975 -23.270 -5.195 304 2HD LYS 40 2HD LYS 40 -21.793 -23.698 -3.691 305 1HE LYS 40 1HE LYS 40 -21.252 -21.641 -2.689 306 2HE LYS 40 2HE LYS 40 -20.033 -21.273 -3.908 307 1HZ LYS 40 1HZ LYS 40 -22.587 -20.367 -3.909 308 2HZ LYS 40 2HZ LYS 40 -22.658 -21.650 -5.009 309 3HZ LYS 40 3HZ LYS 40 -21.557 -20.389 -5.250 310 H CYS 41 H CYS 41 -16.324 -21.232 -4.356 311 HA CYS 41 HA CYS 41 -15.845 -20.249 -1.715 312 1HB CYS 41 1HB CYS 41 -15.961 -18.773 -4.354 313 2HB CYS 41 2HB CYS 41 -15.343 -18.114 -2.843 314 H VAL 42 H VAL 42 -17.034 -18.853 -0.485 315 HA VAL 42 HA VAL 42 -19.614 -17.932 -1.538 316 HB VAL 42 HB VAL 42 -20.586 -18.475 0.771 317 1HG1 VAL 42 1HG1 VAL 42 -21.642 -19.868 -0.614 318 2HG1 VAL 42 2HG1 VAL 42 -20.183 -20.152 -1.566 319 3HG1 VAL 42 3HG1 VAL 42 -20.480 -21.092 -0.103 320 1HG2 VAL 42 1HG2 VAL 42 -19.546 -20.429 1.884 321 2HG2 VAL 42 2HG2 VAL 42 -18.166 -20.276 0.797 322 3HG2 VAL 42 3HG2 VAL 42 -18.537 -18.983 1.938 323 H GLU 43 H GLU 43 -19.542 -15.791 -1.399 324 HA GLU 43 HA GLU 43 -17.828 -14.371 0.352 325 1HB GLU 43 1HB GLU 43 -18.861 -13.634 -1.908 326 2HB GLU 43 2HB GLU 43 -20.251 -13.157 -0.944 327 1HG GLU 43 1HG GLU 43 -18.438 -11.896 0.470 328 2HG GLU 43 2HG GLU 43 -17.513 -12.004 -1.027 329 H ASN 44 H ASN 44 -18.291 -15.086 2.454 330 HA ASN 44 HA ASN 44 -19.341 -15.137 4.476 331 1HB ASN 44 1HB ASN 44 -18.968 -12.755 4.390 332 2HB ASN 44 2HB ASN 44 -20.396 -12.522 3.384 333 1HD2 ASN 44 1HD2 ASN 44 -19.786 -14.348 6.364 334 2HD2 ASN 44 2HD2 ASN 44 -21.051 -13.606 7.278 335 HA PRO 45 HA PRO 45 -23.238 -16.875 2.673 336 1HB PRO 45 1HB PRO 45 -22.962 -19.307 3.848 337 2HB PRO 45 2HB PRO 45 -22.223 -18.901 2.295 338 1HG PRO 45 1HG PRO 45 -20.994 -18.943 5.024 339 2HG PRO 45 2HG PRO 45 -20.332 -19.537 3.490 340 1HD PRO 45 1HD PRO 45 -19.612 -17.157 4.563 341 2HD PRO 45 2HD PRO 45 -19.683 -17.432 2.811 342 H ASN 46 H ASN 46 -21.905 -16.513 5.848 343 HA ASN 46 HA ASN 46 -24.614 -16.689 6.996 344 1HB ASN 46 1HB ASN 46 -22.828 -18.408 7.739 345 2HB ASN 46 2HB ASN 46 -22.106 -17.060 8.615 346 1HD2 ASN 46 1HD2 ASN 46 -24.887 -19.141 8.339 347 2HD2 ASN 46 2HD2 ASN 46 -25.543 -18.800 9.901 348 HA PRO 47 HA PRO 47 -23.041 -12.325 7.386 349 1HB PRO 47 1HB PRO 47 -25.331 -11.164 6.505 350 2HB PRO 47 2HB PRO 47 -24.040 -11.689 5.417 351 1HG PRO 47 1HG PRO 47 -26.603 -13.068 6.121 352 2HG PRO 47 2HG PRO 47 -25.826 -12.890 4.537 353 1HD PRO 47 1HD PRO 47 -25.651 -15.163 5.998 354 2HD PRO 47 2HD PRO 47 -24.345 -14.612 4.929 355 H THR 48 H THR 48 -26.139 -13.810 8.222 356 HA THR 48 HA THR 48 -26.712 -11.889 10.290 357 HB THR 48 HB THR 48 -28.031 -14.549 9.713 358 HG1 THR 48 HG1 THR 48 -28.644 -11.885 8.910 359 1HG2 THR 48 1HG2 THR 48 -29.902 -12.966 10.913 360 2HG2 THR 48 2HG2 THR 48 -28.436 -12.506 11.780 361 3HG2 THR 48 3HG2 THR 48 -28.944 -14.194 11.740 362 1HN NH2 49 1HN THR 49 -25.070 -13.248 13.028 363 2HN NH2 49 2HN THR 49 -25.583 -11.859 12.131 Start of MODEL 2 1 1H ASN 1 1HT ASN 1 -1.964 -1.591 0.675 2 HA ASN 1 HA ASN 1 -1.609 -3.334 -1.655 3 1HB ASN 1 1HB ASN 1 -2.430 -0.969 -1.949 4 2HB ASN 1 2HB ASN 1 -0.852 -0.419 -1.393 5 1HD2 ASN 1 1HD2 ASN 1 -2.187 -2.752 -3.714 6 2HD2 ASN 1 2HD2 ASN 1 -1.110 -2.343 -5.001 7 H ILE 2 H ILE 2 -0.094 -4.709 -0.531 8 HA ILE 2 HA ILE 2 2.512 -3.498 0.044 9 HB ILE 2 HB ILE 2 3.097 -5.661 1.060 10 1HG1 ILE 2 1HG1 ILE 2 0.624 -6.924 1.376 11 2HG1 ILE 2 2HG1 ILE 2 0.687 -6.490 -0.328 12 1HG2 ILE 2 1HG2 ILE 2 1.863 -5.373 3.037 13 2HG2 ILE 2 2HG2 ILE 2 1.900 -3.778 2.285 14 3HG2 ILE 2 3HG2 ILE 2 0.450 -4.775 2.167 15 1HD1 ILE 2 1HD1 ILE 2 2.087 -8.147 -0.756 16 2HD1 ILE 2 2HD1 ILE 2 3.186 -7.626 0.522 17 3HD1 ILE 2 3HD1 ILE 2 1.840 -8.702 0.900 18 H SER 3 H SER 3 1.402 -3.991 -2.682 19 HA SER 3 HA SER 3 2.071 -4.774 -4.713 20 1HB SER 3 1HB SER 3 4.818 -5.095 -3.509 21 2HB SER 3 2HB SER 3 4.393 -4.673 -5.168 22 HG SER 3 HG SER 3 4.254 -3.084 -2.842 23 H GLN 4 H GLN 4 0.863 -6.716 -3.262 24 HA GLN 4 HA GLN 4 2.416 -9.083 -2.984 25 1HB GLN 4 1HB GLN 4 0.348 -8.740 -1.721 26 2HB GLN 4 2HB GLN 4 -0.577 -8.732 -3.216 27 1HG GLN 4 1HG GLN 4 0.315 -11.077 -3.602 28 2HG GLN 4 2HG GLN 4 0.846 -11.031 -1.921 29 1HE2 GLN 4 1HE2 GLN 4 -0.540 -11.696 -0.443 30 2HE2 GLN 4 2HE2 GLN 4 -2.246 -11.865 -0.655 31 H HIS 5 H HIS 5 3.011 -10.529 -4.461 32 HA HIS 5 HA HIS 5 2.806 -10.142 -7.185 33 1HB HIS 5 1HB HIS 5 3.324 -12.645 -7.333 34 2HB HIS 5 2HB HIS 5 4.466 -11.644 -6.442 35 HD1 HIS 5 HD1 HIS 5 5.327 -13.326 -4.793 36 HD2 HIS 5 HD2 HIS 5 1.177 -13.160 -4.884 37 HE1 HIS 5 HE1 HIS 5 4.555 -14.750 -2.869 38 H GLN 6 H GLN 6 1.764 -11.707 -8.766 39 HA GLN 6 HA GLN 6 -0.822 -12.731 -7.916 40 1HB GLN 6 1HB GLN 6 -2.057 -11.495 -9.625 41 2HB GLN 6 2HB GLN 6 -1.292 -10.395 -8.486 42 1HG GLN 6 1HG GLN 6 0.345 -9.751 -10.037 43 2HG GLN 6 2HG GLN 6 -0.020 -11.104 -11.106 44 1HE2 GLN 6 1HE2 GLN 6 -2.002 -11.066 -12.280 45 2HE2 GLN 6 2HE2 GLN 6 -2.765 -9.563 -12.659 46 H CYS 7 H CYS 7 -1.980 -13.349 -10.249 47 HA CYS 7 HA CYS 7 -0.139 -15.323 -11.346 48 1HB CYS 7 1HB CYS 7 -3.069 -15.016 -11.998 49 2HB CYS 7 2HB CYS 7 -2.061 -16.446 -12.197 50 H VAL 8 H VAL 8 0.392 -15.504 -13.507 51 HA VAL 8 HA VAL 8 -0.266 -13.162 -15.175 52 HB VAL 8 HB VAL 8 1.902 -13.635 -16.360 53 1HG1 VAL 8 1HG1 VAL 8 2.134 -11.793 -15.043 54 2HG1 VAL 8 2HG1 VAL 8 1.645 -12.642 -13.575 55 3HG1 VAL 8 3HG1 VAL 8 3.273 -12.859 -14.221 56 1HG2 VAL 8 1HG2 VAL 8 2.124 -15.970 -15.556 57 2HG2 VAL 8 2HG2 VAL 8 3.569 -14.998 -15.279 58 3HG2 VAL 8 3HG2 VAL 8 2.472 -15.347 -13.943 59 H LYS 9 H LYS 9 -0.071 -16.622 -14.972 60 HA LYS 9 HA LYS 9 -1.362 -16.810 -17.602 61 1HB LYS 9 1HB LYS 9 0.844 -18.638 -16.631 62 2HB LYS 9 2HB LYS 9 -0.048 -18.813 -18.137 63 1HG LYS 9 1HG LYS 9 1.335 -16.237 -17.667 64 2HG LYS 9 2HG LYS 9 2.331 -17.651 -18.016 65 1HD LYS 9 1HD LYS 9 1.912 -17.320 -20.176 66 2HD LYS 9 2HD LYS 9 0.231 -17.752 -19.858 67 1HE LYS 9 1HE LYS 9 0.415 -15.596 -21.007 68 2HE LYS 9 2HE LYS 9 -0.302 -15.423 -19.406 69 1HZ LYS 9 1HZ LYS 9 2.485 -15.140 -19.196 70 2HZ LYS 9 2HZ LYS 9 1.283 -13.995 -18.873 71 3HZ LYS 9 3HZ LYS 9 1.937 -14.118 -20.428 72 H LYS 10 H LYS 10 -2.923 -16.776 -15.486 73 HA LYS 10 HA LYS 10 -3.827 -19.546 -15.271 74 1HB LYS 10 1HB LYS 10 -2.397 -18.653 -13.227 75 2HB LYS 10 2HB LYS 10 -3.921 -17.895 -12.786 76 1HG LYS 10 1HG LYS 10 -3.715 -20.007 -11.660 77 2HG LYS 10 2HG LYS 10 -5.010 -20.104 -12.855 78 1HD LYS 10 1HD LYS 10 -3.909 -21.624 -14.114 79 2HD LYS 10 2HD LYS 10 -2.333 -20.890 -13.808 80 1HE LYS 10 1HE LYS 10 -2.656 -21.825 -11.407 81 2HE LYS 10 2HE LYS 10 -3.854 -22.875 -12.162 82 1HZ LYS 10 1HZ LYS 10 -1.642 -23.892 -12.041 83 2HZ LYS 10 2HZ LYS 10 -1.016 -22.656 -13.010 84 3HZ LYS 10 3HZ LYS 10 -2.171 -23.721 -13.639 85 H GLN 11 H GLN 11 -6.029 -19.777 -15.147 86 HA GLN 11 HA GLN 11 -7.592 -17.480 -15.890 87 1HB GLN 11 1HB GLN 11 -8.128 -20.410 -15.588 88 2HB GLN 11 2HB GLN 11 -9.480 -19.290 -15.683 89 1HG GLN 11 1HG GLN 11 -7.298 -19.308 -17.736 90 2HG GLN 11 2HG GLN 11 -8.691 -20.383 -17.841 91 1HE2 GLN 11 1HE2 GLN 11 -10.589 -19.609 -18.565 92 2HE2 GLN 11 2HE2 GLN 11 -10.859 -17.970 -19.042 93 H CYS 12 H CYS 12 -8.400 -19.942 -13.458 94 HA CYS 12 HA CYS 12 -9.273 -19.790 -11.363 95 1HB CYS 12 1HB CYS 12 -8.205 -16.967 -11.284 96 2HB CYS 12 2HB CYS 12 -8.539 -18.028 -9.920 97 HA PRO 13 HA PRO 13 -13.240 -17.959 -11.778 98 1HB PRO 13 1HB PRO 13 -14.004 -17.752 -9.182 99 2HB PRO 13 2HB PRO 13 -13.910 -19.297 -10.035 100 1HG PRO 13 1HG PRO 13 -11.945 -18.051 -8.151 101 2HG PRO 13 2HG PRO 13 -12.491 -19.736 -8.246 102 1HD PRO 13 1HD PRO 13 -10.131 -18.909 -9.283 103 2HD PRO 13 2HD PRO 13 -11.080 -20.227 -10.000 104 H GLN 14 H GLN 14 -14.617 -16.110 -10.922 105 HA GLN 14 HA GLN 14 -12.926 -13.732 -10.737 106 1HB GLN 14 1HB GLN 14 -14.907 -12.481 -11.396 107 2HB GLN 14 2HB GLN 14 -14.624 -13.808 -12.515 108 1HG GLN 14 1HG GLN 14 -16.325 -15.127 -11.239 109 2HG GLN 14 2HG GLN 14 -16.694 -13.655 -10.342 110 1HE2 GLN 14 1HE2 GLN 14 -17.413 -15.489 -13.039 111 2HE2 GLN 14 2HE2 GLN 14 -18.336 -14.320 -13.915 112 H ASN 15 H ASN 15 -14.362 -15.771 -8.638 113 HA ASN 15 HA ASN 15 -15.062 -13.633 -6.738 114 1HB ASN 15 1HB ASN 15 -16.058 -16.448 -7.064 115 2HB ASN 15 2HB ASN 15 -16.190 -15.632 -5.509 116 1HD2 ASN 15 1HD2 ASN 15 -18.352 -15.389 -5.419 117 2HD2 ASN 15 2HD2 ASN 15 -19.272 -14.444 -6.537 118 H SER 16 H SER 16 -12.392 -14.875 -7.433 119 HA SER 16 HA SER 16 -11.608 -15.468 -4.667 120 1HB SER 16 1HB SER 16 -10.603 -16.990 -7.083 121 2HB SER 16 2HB SER 16 -10.111 -17.248 -5.410 122 HG SER 16 HG SER 16 -11.666 -18.741 -5.787 123 H GLY 17 H GLY 17 -9.050 -15.532 -4.620 124 1HA GLY 17 1HA GLY 17 -8.047 -13.306 -6.278 125 2HA GLY 17 2HA GLY 17 -7.798 -13.321 -4.538 126 H CYS 18 H CYS 18 -7.250 -15.378 -7.394 127 HA CYS 18 HA CYS 18 -5.366 -17.096 -6.393 128 1HB CYS 18 1HB CYS 18 -4.774 -17.587 -8.594 129 2HB CYS 18 2HB CYS 18 -6.397 -16.927 -8.769 130 H PHE 19 H PHE 19 -2.992 -17.136 -6.806 131 HA PHE 19 HA PHE 19 -1.543 -14.717 -7.134 132 1HB PHE 19 1HB PHE 19 -0.746 -14.335 -4.918 133 2HB PHE 19 2HB PHE 19 -2.500 -14.436 -4.810 134 HD1 PHE 19 HD1 PHE 19 0.435 -15.393 -3.274 135 HD2 PHE 19 HD2 PHE 19 -3.345 -16.972 -4.429 136 HE1 PHE 19 HE1 PHE 19 0.649 -17.146 -1.562 137 HE2 PHE 19 HE2 PHE 19 -3.138 -18.727 -2.718 138 HZ PHE 19 HZ PHE 19 -1.140 -18.816 -1.281 139 H ARG 20 H ARG 20 0.565 -15.123 -7.589 140 HA ARG 20 HA ARG 20 1.345 -17.888 -7.837 141 1HB ARG 20 1HB ARG 20 1.825 -15.840 -9.431 142 2HB ARG 20 2HB ARG 20 3.222 -15.627 -8.384 143 1HG ARG 20 1HG ARG 20 4.304 -17.353 -9.291 144 2HG ARG 20 2HG ARG 20 2.866 -18.376 -9.285 145 1HD ARG 20 1HD ARG 20 2.455 -17.962 -11.438 146 2HD ARG 20 2HD ARG 20 2.663 -16.225 -11.217 147 HE ARG 20 HE ARG 20 4.567 -18.053 -12.287 148 1HH1 ARG 20 1HH1 ARG 20 4.241 -15.128 -10.428 149 2HH1 ARG 20 2HH1 ARG 20 5.800 -14.517 -10.871 150 1HH2 ARG 20 1HH2 ARG 20 6.623 -17.260 -12.878 151 2HH2 ARG 20 2HH2 ARG 20 7.154 -15.730 -12.266 152 H HIS 21 H HIS 21 2.167 -18.959 -6.171 153 HA HIS 21 HA HIS 21 3.140 -17.826 -3.812 154 1HB HIS 21 1HB HIS 21 3.227 -20.538 -5.040 155 2HB HIS 21 2HB HIS 21 4.312 -20.219 -3.690 156 HD1 HIS 21 HD1 HIS 21 3.075 -19.376 -1.435 157 HD2 HIS 21 HD2 HIS 21 0.672 -21.149 -4.323 158 HE1 HIS 21 HE1 HIS 21 0.951 -20.009 -0.246 159 H LEU 22 H LEU 22 5.475 -18.638 -3.025 160 HA LEU 22 HA LEU 22 7.328 -17.041 -4.500 161 1HB LEU 22 1HB LEU 22 7.504 -18.736 -2.038 162 2HB LEU 22 2HB LEU 22 8.956 -18.057 -2.769 163 HG LEU 22 HG LEU 22 8.247 -16.664 -0.939 164 1HD1 LEU 22 1HD1 LEU 22 9.076 -15.690 -3.171 165 2HD1 LEU 22 2HD1 LEU 22 8.336 -14.598 -2.001 166 3HD1 LEU 22 3HD1 LEU 22 7.408 -15.162 -3.391 167 1HD2 LEU 22 1HD2 LEU 22 6.083 -15.581 -0.880 168 2HD2 LEU 22 2HD2 LEU 22 5.875 -17.332 -0.936 169 3HD2 LEU 22 3HD2 LEU 22 5.619 -16.366 -2.390 170 H ASP 23 H ASP 23 6.527 -20.401 -4.399 171 HA ASP 23 HA ASP 23 8.968 -21.145 -5.830 172 1HB ASP 23 1HB ASP 23 6.788 -22.700 -4.470 173 2HB ASP 23 2HB ASP 23 7.850 -23.486 -5.635 174 H GLU 24 H GLU 24 6.882 -19.476 -7.046 175 HA GLU 24 HA GLU 24 5.777 -19.250 -9.022 176 1HB GLU 24 1HB GLU 24 7.429 -21.662 -9.792 177 2HB GLU 24 2HB GLU 24 6.570 -20.615 -10.913 178 1HG GLU 24 1HG GLU 24 8.010 -18.812 -10.509 179 2HG GLU 24 2HG GLU 24 8.671 -19.558 -9.055 180 H ARG 25 H ARG 25 4.250 -20.430 -7.147 181 HA ARG 25 HA ARG 25 2.759 -22.451 -8.683 182 1HB ARG 25 1HB ARG 25 4.010 -23.352 -6.653 183 2HB ARG 25 2HB ARG 25 2.897 -22.408 -5.672 184 1HG ARG 25 1HG ARG 25 1.918 -24.495 -5.683 185 2HG ARG 25 2HG ARG 25 1.054 -23.664 -6.978 186 1HD ARG 25 1HD ARG 25 1.563 -25.672 -7.984 187 2HD ARG 25 2HD ARG 25 2.925 -24.673 -8.488 188 HE ARG 25 HE ARG 25 3.532 -26.011 -6.073 189 1HH1 ARG 25 1HH1 ARG 25 3.149 -26.571 -9.488 190 2HH1 ARG 25 2HH1 ARG 25 4.236 -27.920 -9.521 191 1HH2 ARG 25 1HH2 ARG 25 4.965 -27.786 -6.104 192 2HH2 ARG 25 2HH2 ARG 25 5.268 -28.611 -7.596 193 H GLU 26 H GLU 26 1.069 -21.312 -9.431 194 HA GLU 26 HA GLU 26 -0.156 -19.193 -7.945 195 1HB GLU 26 1HB GLU 26 -1.192 -20.603 -10.409 196 2HB GLU 26 2HB GLU 26 -1.708 -19.036 -9.802 197 1HG GLU 26 1HG GLU 26 0.298 -18.007 -10.414 198 2HG GLU 26 2HG GLU 26 1.133 -19.548 -10.601 199 H GLU 27 H GLU 27 -1.807 -19.284 -6.560 200 HA GLU 27 HA GLU 27 -3.358 -21.785 -6.409 201 1HB GLU 27 1HB GLU 27 -1.827 -20.391 -4.359 202 2HB GLU 27 2HB GLU 27 -3.498 -20.650 -3.881 203 1HG GLU 27 1HG GLU 27 -2.228 -22.994 -5.076 204 2HG GLU 27 2HG GLU 27 -1.473 -22.444 -3.580 205 H CYS 28 H CYS 28 -5.193 -21.175 -7.438 206 HA CYS 28 HA CYS 28 -6.395 -18.605 -7.109 207 1HB CYS 28 1HB CYS 28 -7.731 -21.090 -8.183 208 2HB CYS 28 2HB CYS 28 -8.135 -19.412 -8.534 209 H LYS 29 H LYS 29 -6.428 -18.647 -4.731 210 HA LYS 29 HA LYS 29 -8.579 -20.281 -3.591 211 1HB LYS 29 1HB LYS 29 -6.568 -20.442 -2.325 212 2HB LYS 29 2HB LYS 29 -6.335 -18.699 -2.343 213 1HG LYS 29 1HG LYS 29 -8.078 -18.345 -0.802 214 2HG LYS 29 2HG LYS 29 -8.690 -19.988 -1.000 215 1HD LYS 29 1HD LYS 29 -7.343 -20.746 0.602 216 2HD LYS 29 2HD LYS 29 -5.930 -20.031 -0.179 217 1HE LYS 29 1HE LYS 29 -6.126 -19.102 2.020 218 2HE LYS 29 2HE LYS 29 -6.546 -17.850 0.851 219 1HZ LYS 29 1HZ LYS 29 -8.800 -18.031 1.363 220 2HZ LYS 29 2HZ LYS 29 -8.037 -18.109 2.870 221 3HZ LYS 29 3HZ LYS 29 -8.615 -19.521 2.141 222 H CYS 30 H CYS 30 -10.319 -19.378 -2.500 223 HA CYS 30 HA CYS 30 -11.433 -17.053 -3.514 224 1HB CYS 30 1HB CYS 30 -12.045 -18.156 -0.771 225 2HB CYS 30 2HB CYS 30 -13.126 -17.269 -1.842 226 H LEU 31 H LEU 31 -11.719 -14.961 -2.695 227 HA LEU 31 HA LEU 31 -9.485 -13.725 -1.600 228 1HB LEU 31 1HB LEU 31 -12.348 -12.782 -1.542 229 2HB LEU 31 2HB LEU 31 -10.932 -11.771 -1.262 230 HG LEU 31 HG LEU 31 -11.014 -13.212 -3.840 231 1HD1 LEU 31 1HD1 LEU 31 -12.443 -11.226 -4.698 232 2HD1 LEU 31 2HD1 LEU 31 -13.031 -11.159 -3.037 233 3HD1 LEU 31 3HD1 LEU 31 -13.243 -12.629 -3.989 234 1HD2 LEU 31 1HD2 LEU 31 -10.477 -10.311 -3.270 235 2HD2 LEU 31 2HD2 LEU 31 -9.925 -11.285 -4.633 236 3HD2 LEU 31 3HD2 LEU 31 -9.259 -11.562 -3.022 237 H LEU 32 H LEU 32 -9.864 -12.190 0.448 238 HA LEU 32 HA LEU 32 -9.955 -13.978 2.688 239 1HB LEU 32 1HB LEU 32 -9.585 -10.997 2.478 240 2HB LEU 32 2HB LEU 32 -9.533 -11.881 4.002 241 HG LEU 32 HG LEU 32 -7.682 -12.606 1.759 242 1HD1 LEU 32 1HD1 LEU 32 -6.075 -11.026 2.451 243 2HD1 LEU 32 2HD1 LEU 32 -7.025 -10.560 3.861 244 3HD1 LEU 32 3HD1 LEU 32 -7.577 -10.126 2.243 245 1HD2 LEU 32 1HD2 LEU 32 -8.108 -13.395 4.490 246 2HD2 LEU 32 2HD2 LEU 32 -6.474 -12.764 4.281 247 3HD2 LEU 32 3HD2 LEU 32 -7.041 -14.098 3.274 248 H ASN 33 H ASN 33 -12.324 -12.424 0.979 249 HA ASN 33 HA ASN 33 -14.076 -12.165 3.331 250 1HB ASN 33 1HB ASN 33 -14.538 -11.007 0.576 251 2HB ASN 33 2HB ASN 33 -15.440 -10.650 2.047 252 1HD2 ASN 33 1HD2 ASN 33 -12.643 -9.980 0.181 253 2HD2 ASN 33 2HD2 ASN 33 -12.005 -8.724 1.180 254 H TYR 34 H TYR 34 -13.381 -14.660 1.943 255 HA TYR 34 HA TYR 34 -16.113 -15.482 1.236 256 1HB TYR 34 1HB TYR 34 -13.570 -16.126 -0.254 257 2HB TYR 34 2HB TYR 34 -15.042 -17.074 -0.438 258 HD1 TYR 34 HD1 TYR 34 -16.447 -16.527 -2.182 259 HD2 TYR 34 HD2 TYR 34 -13.953 -13.497 -0.540 260 HE1 TYR 34 HE1 TYR 34 -17.258 -14.947 -3.883 261 HE2 TYR 34 HE2 TYR 34 -14.757 -11.907 -2.236 262 HH TYR 34 HH TYR 34 -17.431 -12.624 -4.305 263 H LYS 35 H LYS 35 -16.246 -16.251 3.405 264 HA LYS 35 HA LYS 35 -14.438 -18.111 4.521 265 1HB LYS 35 1HB LYS 35 -16.360 -18.630 6.076 266 2HB LYS 35 2HB LYS 35 -15.879 -16.940 6.006 267 1HG LYS 35 1HG LYS 35 -17.847 -16.281 5.159 268 2HG LYS 35 2HG LYS 35 -17.994 -17.699 4.118 269 1HD LYS 35 1HD LYS 35 -18.391 -17.819 7.099 270 2HD LYS 35 2HD LYS 35 -19.708 -17.479 5.975 271 1HE LYS 35 1HE LYS 35 -19.414 -19.601 4.899 272 2HE LYS 35 2HE LYS 35 -17.949 -19.922 5.824 273 1HZ LYS 35 1HZ LYS 35 -19.845 -19.458 7.724 274 2HZ LYS 35 2HZ LYS 35 -19.276 -20.976 7.242 275 3HZ LYS 35 3HZ LYS 35 -20.683 -20.342 6.550 276 H GLN 36 H GLN 36 -14.008 -19.743 3.040 277 HA GLN 36 HA GLN 36 -15.791 -21.206 1.534 278 1HB GLN 36 1HB GLN 36 -13.164 -21.289 1.747 279 2HB GLN 36 2HB GLN 36 -13.507 -22.629 2.833 280 1HG GLN 36 1HG GLN 36 -14.665 -23.811 1.086 281 2HG GLN 36 2HG GLN 36 -14.485 -22.439 -0.006 282 1HE2 GLN 36 1HE2 GLN 36 -13.633 -24.846 -0.838 283 2HE2 GLN 36 2HE2 GLN 36 -11.907 -24.908 -0.871 284 H GLU 37 H GLU 37 -17.293 -22.710 1.924 285 HA GLU 37 HA GLU 37 -17.575 -23.667 4.690 286 1HB GLU 37 1HB GLU 37 -19.472 -22.364 3.834 287 2HB GLU 37 2HB GLU 37 -19.644 -23.488 2.494 288 1HG GLU 37 1HG GLU 37 -19.893 -25.262 4.389 289 2HG GLU 37 2HG GLU 37 -20.305 -23.859 5.374 290 H GLY 38 H GLY 38 -17.488 -24.678 1.321 291 1HA GLY 38 1HA GLY 38 -16.916 -27.408 2.224 292 2HA GLY 38 2HA GLY 38 -18.240 -27.173 1.092 293 H ASP 39 H ASP 39 -17.798 -27.151 -1.025 294 HA ASP 39 HA ASP 39 -14.966 -26.956 -1.820 295 1HB ASP 39 1HB ASP 39 -16.076 -29.236 -2.044 296 2HB ASP 39 2HB ASP 39 -17.077 -28.519 -3.303 297 H LYS 40 H LYS 40 -16.205 -24.615 -1.673 298 HA LYS 40 HA LYS 40 -16.103 -23.626 -4.318 299 1HB LYS 40 1HB LYS 40 -18.511 -22.767 -4.332 300 2HB LYS 40 2HB LYS 40 -18.265 -24.468 -4.708 301 1HG LYS 40 1HG LYS 40 -19.122 -25.173 -2.666 302 2HG LYS 40 2HG LYS 40 -18.901 -23.589 -1.919 303 1HD LYS 40 1HD LYS 40 -20.761 -23.921 -4.241 304 2HD LYS 40 2HD LYS 40 -21.284 -24.350 -2.611 305 1HE LYS 40 1HE LYS 40 -21.920 -22.177 -2.577 306 2HE LYS 40 2HE LYS 40 -20.237 -21.939 -2.109 307 1HZ LYS 40 1HZ LYS 40 -21.393 -20.659 -4.128 308 2HZ LYS 40 2HZ LYS 40 -20.766 -21.989 -4.964 309 3HZ LYS 40 3HZ LYS 40 -19.735 -20.989 -4.071 310 H CYS 41 H CYS 41 -16.796 -21.259 -4.384 311 HA CYS 41 HA CYS 41 -15.850 -20.000 -1.925 312 1HB CYS 41 1HB CYS 41 -16.220 -18.946 -4.733 313 2HB CYS 41 2HB CYS 41 -15.708 -17.947 -3.377 314 H VAL 42 H VAL 42 -16.983 -18.440 -0.805 315 HA VAL 42 HA VAL 42 -19.718 -17.840 -1.676 316 HB VAL 42 HB VAL 42 -20.451 -18.129 0.745 317 1HG1 VAL 42 1HG1 VAL 42 -20.076 -20.096 -1.349 318 2HG1 VAL 42 2HG1 VAL 42 -20.136 -20.838 0.251 319 3HG1 VAL 42 3HG1 VAL 42 -21.465 -19.816 -0.299 320 1HG2 VAL 42 1HG2 VAL 42 -17.747 -18.647 1.124 321 2HG2 VAL 42 2HG2 VAL 42 -19.043 -18.888 2.296 322 3HG2 VAL 42 3HG2 VAL 42 -18.526 -20.223 1.266 323 H GLU 43 H GLU 43 -19.628 -15.695 -1.916 324 HA GLU 43 HA GLU 43 -17.925 -13.997 -0.404 325 1HB GLU 43 1HB GLU 43 -18.893 -13.614 -2.756 326 2HB GLU 43 2HB GLU 43 -20.347 -13.071 -1.930 327 1HG GLU 43 1HG GLU 43 -19.089 -11.325 -0.811 328 2HG GLU 43 2HG GLU 43 -17.603 -11.887 -1.576 329 H ASN 44 H ASN 44 -18.482 -14.542 1.772 330 HA ASN 44 HA ASN 44 -19.593 -14.328 3.752 331 1HB ASN 44 1HB ASN 44 -19.045 -12.002 3.463 332 2HB ASN 44 2HB ASN 44 -20.407 -11.765 2.370 333 1HD2 ASN 44 1HD2 ASN 44 -19.870 -13.105 5.617 334 2HD2 ASN 44 2HD2 ASN 44 -21.187 -12.270 6.361 335 HA PRO 45 HA PRO 45 -23.563 -15.942 1.978 336 1HB PRO 45 1HB PRO 45 -23.485 -18.286 3.345 337 2HB PRO 45 2HB PRO 45 -22.688 -18.057 1.784 338 1HG PRO 45 1HG PRO 45 -21.519 -17.969 4.538 339 2HG PRO 45 2HG PRO 45 -20.872 -18.728 3.072 340 1HD PRO 45 1HD PRO 45 -20.004 -16.327 3.975 341 2HD PRO 45 2HD PRO 45 -20.060 -16.734 2.248 342 H ASN 46 H ASN 46 -22.288 -15.993 5.282 343 HA ASN 46 HA ASN 46 -24.929 -15.146 6.241 344 1HB ASN 46 1HB ASN 46 -23.329 -17.497 7.134 345 2HB ASN 46 2HB ASN 46 -24.193 -16.579 8.364 346 1HD2 ASN 46 1HD2 ASN 46 -24.504 -19.306 7.037 347 2HD2 ASN 46 2HD2 ASN 46 -26.183 -19.371 6.632 348 HA PRO 47 HA PRO 47 -22.821 -12.083 8.570 349 1HB PRO 47 1HB PRO 47 -24.263 -11.995 10.868 350 2HB PRO 47 2HB PRO 47 -24.873 -11.379 9.327 351 1HG PRO 47 1HG PRO 47 -25.421 -13.998 10.671 352 2HG PRO 47 2HG PRO 47 -26.549 -12.906 9.845 353 1HD PRO 47 1HD PRO 47 -25.555 -15.135 8.672 354 2HD PRO 47 2HD PRO 47 -25.951 -13.668 7.754 355 H THR 48 H THR 48 -23.493 -15.076 10.340 356 HA THR 48 HA THR 48 -21.736 -14.687 12.482 357 HB THR 48 HB THR 48 -21.637 -17.314 12.388 358 HG1 THR 48 HG1 THR 48 -22.463 -17.760 10.410 359 1HG2 THR 48 1HG2 THR 48 -24.409 -16.723 12.867 360 2HG2 THR 48 2HG2 THR 48 -23.395 -15.431 13.508 361 3HG2 THR 48 3HG2 THR 48 -23.133 -17.096 14.025 362 1HN NH2 49 1HN THR 49 -19.487 -16.347 9.430 363 2HN NH2 49 2HN THR 49 -21.217 -16.404 9.380 Start of MODEL 3 1 1H ASN 1 1HT ASN 1 5.036 2.743 0.379 2 HA ASN 1 HA ASN 1 4.458 1.608 -2.054 3 1HB ASN 1 1HB ASN 1 7.191 1.608 -0.756 4 2HB ASN 1 2HB ASN 1 6.844 1.562 -2.482 5 1HD2 ASN 1 1HD2 ASN 1 7.520 3.513 0.149 6 2HD2 ASN 1 2HD2 ASN 1 7.146 5.044 -0.559 7 H ILE 2 H ILE 2 3.224 -0.305 -1.409 8 HA ILE 2 HA ILE 2 4.993 -2.632 -1.049 9 HB ILE 2 HB ILE 2 3.229 -3.764 0.215 10 1HG1 ILE 2 1HG1 ILE 2 1.469 -1.969 1.150 11 2HG1 ILE 2 2HG1 ILE 2 1.750 -1.270 -0.440 12 1HG2 ILE 2 1HG2 ILE 2 4.993 -2.478 1.375 13 2HG2 ILE 2 2HG2 ILE 2 3.907 -1.090 1.429 14 3HG2 ILE 2 3HG2 ILE 2 3.490 -2.569 2.294 15 1HD1 ILE 2 1HD1 ILE 2 1.227 -4.162 -0.397 16 2HD1 ILE 2 2HD1 ILE 2 -0.118 -3.124 0.077 17 3HD1 ILE 2 3HD1 ILE 2 0.647 -2.913 -1.498 18 H SER 3 H SER 3 4.293 -4.586 -2.048 19 HA SER 3 HA SER 3 2.036 -4.471 -3.871 20 1HB SER 3 1HB SER 3 4.050 -3.495 -5.080 21 2HB SER 3 2HB SER 3 4.777 -5.099 -4.976 22 HG SER 3 HG SER 3 3.740 -5.272 -6.832 23 H GLN 4 H GLN 4 1.510 -6.549 -4.797 24 HA GLN 4 HA GLN 4 2.824 -8.836 -3.509 25 1HB GLN 4 1HB GLN 4 0.859 -8.356 -2.168 26 2HB GLN 4 2HB GLN 4 -0.153 -8.328 -3.605 27 1HG GLN 4 1HG GLN 4 0.375 -10.714 -3.974 28 2HG GLN 4 2HG GLN 4 1.276 -10.714 -2.459 29 1HE2 GLN 4 1HE2 GLN 4 -1.063 -12.265 -3.222 30 2HE2 GLN 4 2HE2 GLN 4 -2.287 -11.898 -2.059 31 H HIS 5 H HIS 5 3.206 -10.494 -4.843 32 HA HIS 5 HA HIS 5 2.919 -10.296 -7.596 33 1HB HIS 5 1HB HIS 5 3.334 -12.810 -7.571 34 2HB HIS 5 2HB HIS 5 4.543 -11.810 -6.772 35 HD1 HIS 5 HD1 HIS 5 5.307 -13.724 -5.237 36 HD2 HIS 5 HD2 HIS 5 1.285 -12.758 -4.844 37 HE1 HIS 5 HE1 HIS 5 4.532 -14.906 -3.157 38 H GLN 6 H GLN 6 1.752 -12.018 -8.958 39 HA GLN 6 HA GLN 6 -0.752 -12.994 -7.972 40 1HB GLN 6 1HB GLN 6 -0.898 -10.388 -8.581 41 2HB GLN 6 2HB GLN 6 -1.160 -11.058 -10.186 42 1HG GLN 6 1HG GLN 6 -3.181 -11.939 -9.647 43 2HG GLN 6 2HG GLN 6 -2.743 -12.196 -7.958 44 1HE2 GLN 6 1HE2 GLN 6 -4.408 -10.252 -10.133 45 2HE2 GLN 6 2HE2 GLN 6 -4.780 -8.941 -9.072 46 H CYS 7 H CYS 7 -2.146 -13.709 -9.987 47 HA CYS 7 HA CYS 7 -0.466 -15.479 -11.489 48 1HB CYS 7 1HB CYS 7 -3.411 -14.992 -11.933 49 2HB CYS 7 2HB CYS 7 -2.485 -16.439 -12.320 50 H VAL 8 H VAL 8 -0.001 -15.467 -13.658 51 HA VAL 8 HA VAL 8 -0.704 -13.003 -15.117 52 HB VAL 8 HB VAL 8 1.790 -14.649 -15.537 53 1HG1 VAL 8 1HG1 VAL 8 1.941 -11.904 -16.354 54 2HG1 VAL 8 2HG1 VAL 8 2.147 -13.369 -17.316 55 3HG1 VAL 8 3HG1 VAL 8 0.540 -12.677 -17.095 56 1HG2 VAL 8 1HG2 VAL 8 1.496 -12.060 -14.017 57 2HG2 VAL 8 2HG2 VAL 8 1.776 -13.643 -13.292 58 3HG2 VAL 8 3HG2 VAL 8 3.002 -12.921 -14.334 59 H LYS 9 H LYS 9 -0.579 -16.457 -15.150 60 HA LYS 9 HA LYS 9 -1.913 -16.453 -17.762 61 1HB LYS 9 1HB LYS 9 0.386 -18.241 -16.959 62 2HB LYS 9 2HB LYS 9 -0.638 -18.530 -18.360 63 1HG LYS 9 1HG LYS 9 0.681 -15.880 -18.105 64 2HG LYS 9 2HG LYS 9 1.664 -17.272 -18.564 65 1HD LYS 9 1HD LYS 9 0.994 -16.561 -20.634 66 2HD LYS 9 2HD LYS 9 -0.321 -17.678 -20.257 67 1HE LYS 9 1HE LYS 9 -1.810 -15.957 -19.780 68 2HE LYS 9 2HE LYS 9 -0.521 -14.784 -19.514 69 1HZ LYS 9 1HZ LYS 9 -0.188 -15.549 -22.105 70 2HZ LYS 9 2HZ LYS 9 -0.930 -14.122 -21.582 71 3HZ LYS 9 3HZ LYS 9 -1.871 -15.482 -21.939 72 H LYS 10 H LYS 10 -2.967 -16.660 -15.090 73 HA LYS 10 HA LYS 10 -4.022 -19.411 -15.186 74 1HB LYS 10 1HB LYS 10 -2.537 -18.567 -13.161 75 2HB LYS 10 2HB LYS 10 -4.057 -17.851 -12.640 76 1HG LYS 10 1HG LYS 10 -3.763 -20.005 -11.603 77 2HG LYS 10 2HG LYS 10 -5.113 -20.069 -12.738 78 1HD LYS 10 1HD LYS 10 -4.035 -21.486 -14.149 79 2HD LYS 10 2HD LYS 10 -2.448 -20.797 -13.799 80 1HE LYS 10 1HE LYS 10 -3.623 -22.118 -11.493 81 2HE LYS 10 2HE LYS 10 -3.438 -23.206 -12.868 82 1HZ LYS 10 1HZ LYS 10 -1.487 -22.518 -11.097 83 2HZ LYS 10 2HZ LYS 10 -1.130 -21.567 -12.449 84 3HZ LYS 10 3HZ LYS 10 -1.244 -23.248 -12.604 85 H GLN 11 H GLN 11 -6.208 -19.684 -15.057 86 HA GLN 11 HA GLN 11 -7.837 -17.391 -15.632 87 1HB GLN 11 1HB GLN 11 -8.259 -20.339 -15.507 88 2HB GLN 11 2HB GLN 11 -9.670 -19.296 -15.392 89 1HG GLN 11 1HG GLN 11 -8.754 -18.178 -17.517 90 2HG GLN 11 2HG GLN 11 -7.752 -19.621 -17.663 91 1HE2 GLN 11 1HE2 GLN 11 -10.393 -18.313 -18.859 92 2HE2 GLN 11 2HE2 GLN 11 -11.367 -19.710 -19.144 93 H CYS 12 H CYS 12 -8.536 -19.973 -13.294 94 HA CYS 12 HA CYS 12 -9.354 -19.930 -11.172 95 1HB CYS 12 1HB CYS 12 -8.284 -17.108 -11.014 96 2HB CYS 12 2HB CYS 12 -8.621 -18.197 -9.672 97 HA PRO 13 HA PRO 13 -13.350 -18.129 -11.387 98 1HB PRO 13 1HB PRO 13 -14.040 -18.049 -8.762 99 2HB PRO 13 2HB PRO 13 -13.954 -19.553 -9.687 100 1HG PRO 13 1HG PRO 13 -11.949 -18.369 -7.806 101 2HG PRO 13 2HG PRO 13 -12.479 -20.054 -7.961 102 1HD PRO 13 1HD PRO 13 -10.159 -19.153 -9.027 103 2HD PRO 13 2HD PRO 13 -11.114 -20.449 -9.776 104 H GLN 14 H GLN 14 -14.679 -16.292 -10.646 105 HA GLN 14 HA GLN 14 -13.017 -13.928 -10.309 106 1HB GLN 14 1HB GLN 14 -15.153 -14.387 -11.902 107 2HB GLN 14 2HB GLN 14 -15.953 -13.643 -10.524 108 1HG GLN 14 1HG GLN 14 -14.011 -11.875 -10.809 109 2HG GLN 14 2HG GLN 14 -14.036 -12.482 -12.464 110 1HE2 GLN 14 1HE2 GLN 14 -16.165 -11.252 -9.921 111 2HE2 GLN 14 2HE2 GLN 14 -17.256 -10.437 -10.985 112 H ASN 15 H ASN 15 -14.434 -16.048 -8.272 113 HA ASN 15 HA ASN 15 -15.152 -13.988 -6.297 114 1HB ASN 15 1HB ASN 15 -15.963 -16.892 -6.511 115 2HB ASN 15 2HB ASN 15 -16.312 -15.886 -5.107 116 1HD2 ASN 15 1HD2 ASN 15 -18.351 -15.310 -5.114 117 2HD2 ASN 15 2HD2 ASN 15 -19.265 -14.802 -6.490 118 H SER 16 H SER 16 -12.454 -15.159 -7.073 119 HA SER 16 HA SER 16 -11.605 -15.760 -4.328 120 1HB SER 16 1HB SER 16 -10.633 -17.244 -6.782 121 2HB SER 16 2HB SER 16 -10.074 -17.495 -5.128 122 HG SER 16 HG SER 16 -12.783 -17.792 -5.896 123 H GLY 17 H GLY 17 -9.051 -15.763 -4.321 124 1HA GLY 17 1HA GLY 17 -8.135 -13.488 -5.966 125 2HA GLY 17 2HA GLY 17 -7.828 -13.547 -4.237 126 H CYS 18 H CYS 18 -7.362 -15.560 -7.142 127 HA CYS 18 HA CYS 18 -5.387 -17.231 -6.231 128 1HB CYS 18 1HB CYS 18 -4.912 -17.727 -8.457 129 2HB CYS 18 2HB CYS 18 -6.552 -17.094 -8.552 130 H PHE 19 H PHE 19 -3.035 -17.209 -6.816 131 HA PHE 19 HA PHE 19 -1.651 -14.788 -7.254 132 1HB PHE 19 1HB PHE 19 -0.785 -14.283 -5.090 133 2HB PHE 19 2HB PHE 19 -2.532 -14.414 -4.912 134 HD1 PHE 19 HD1 PHE 19 0.476 -15.234 -3.440 135 HD2 PHE 19 HD2 PHE 19 -3.306 -16.946 -4.381 136 HE1 PHE 19 HE1 PHE 19 0.789 -16.898 -1.655 137 HE2 PHE 19 HE2 PHE 19 -2.999 -18.612 -2.597 138 HZ PHE 19 HZ PHE 19 -0.951 -18.589 -1.231 139 H ARG 20 H ARG 20 0.458 -15.170 -7.744 140 HA ARG 20 HA ARG 20 1.286 -17.944 -7.831 141 1HB ARG 20 1HB ARG 20 1.591 -16.013 -9.628 142 2HB ARG 20 2HB ARG 20 3.071 -15.729 -8.723 143 1HG ARG 20 1HG ARG 20 4.067 -17.561 -9.537 144 2HG ARG 20 2HG ARG 20 2.600 -18.534 -9.415 145 1HD ARG 20 1HD ARG 20 2.500 -18.411 -11.640 146 2HD ARG 20 2HD ARG 20 2.008 -16.733 -11.416 147 HE ARG 20 HE ARG 20 4.839 -16.992 -11.414 148 1HH1 ARG 20 1HH1 ARG 20 2.057 -16.926 -13.506 149 2HH1 ARG 20 2HH1 ARG 20 2.940 -16.342 -14.878 150 1HH2 ARG 20 1HH2 ARG 20 6.012 -16.223 -13.212 151 2HH2 ARG 20 2HH2 ARG 20 5.190 -15.943 -14.710 152 H HIS 21 H HIS 21 2.531 -18.887 -6.363 153 HA HIS 21 HA HIS 21 3.564 -17.459 -4.130 154 1HB HIS 21 1HB HIS 21 3.643 -20.300 -5.060 155 2HB HIS 21 2HB HIS 21 4.750 -19.793 -3.788 156 HD1 HIS 21 HD1 HIS 21 3.507 -18.661 -1.637 157 HD2 HIS 21 HD2 HIS 21 1.165 -20.968 -4.178 158 HE1 HIS 21 HE1 HIS 21 1.445 -19.232 -0.317 159 H LEU 22 H LEU 22 5.971 -18.177 -3.473 160 HA LEU 22 HA LEU 22 7.669 -16.708 -5.211 161 1HB LEU 22 1HB LEU 22 8.664 -18.526 -3.049 162 2HB LEU 22 2HB LEU 22 9.342 -16.999 -3.610 163 HG LEU 22 HG LEU 22 6.884 -17.381 -1.905 164 1HD1 LEU 22 1HD1 LEU 22 8.319 -15.865 -0.400 165 2HD1 LEU 22 2HD1 LEU 22 9.666 -16.388 -1.411 166 3HD1 LEU 22 3HD1 LEU 22 8.729 -17.577 -0.507 167 1HD2 LEU 22 1HD2 LEU 22 6.403 -15.576 -3.377 168 2HD2 LEU 22 2HD2 LEU 22 8.024 -14.906 -3.188 169 3HD2 LEU 22 3HD2 LEU 22 6.892 -14.873 -1.835 170 H ASP 23 H ASP 23 6.865 -20.052 -4.917 171 HA ASP 23 HA ASP 23 9.130 -20.847 -6.597 172 1HB ASP 23 1HB ASP 23 7.187 -22.351 -4.873 173 2HB ASP 23 2HB ASP 23 8.072 -23.189 -6.145 174 H GLU 24 H GLU 24 7.033 -19.243 -7.712 175 HA GLU 24 HA GLU 24 5.611 -19.135 -9.490 176 1HB GLU 24 1HB GLU 24 7.490 -21.353 -10.235 177 2HB GLU 24 2HB GLU 24 6.167 -20.913 -11.307 178 1HG GLU 24 1HG GLU 24 7.015 -18.624 -11.413 179 2HG GLU 24 2HG GLU 24 8.344 -19.070 -10.346 180 H ARG 25 H ARG 25 4.414 -20.322 -7.350 181 HA ARG 25 HA ARG 25 2.829 -22.480 -8.583 182 1HB ARG 25 1HB ARG 25 4.309 -22.964 -6.483 183 2HB ARG 25 2HB ARG 25 3.026 -22.132 -5.613 184 1HG ARG 25 1HG ARG 25 2.313 -24.290 -5.437 185 2HG ARG 25 2HG ARG 25 1.488 -23.809 -6.922 186 1HD ARG 25 1HD ARG 25 2.408 -25.796 -7.590 187 2HD ARG 25 2HD ARG 25 3.697 -24.683 -8.045 188 HE ARG 25 HE ARG 25 4.326 -25.436 -5.502 189 1HH1 ARG 25 1HH1 ARG 25 3.674 -27.134 -8.471 190 2HH1 ARG 25 2HH1 ARG 25 4.708 -28.470 -8.086 191 1HH2 ARG 25 1HH2 ARG 25 5.690 -27.189 -4.984 192 2HH2 ARG 25 2HH2 ARG 25 5.853 -28.500 -6.102 193 H GLU 26 H GLU 26 1.060 -21.463 -9.333 194 HA GLU 26 HA GLU 26 -0.169 -19.292 -7.880 195 1HB GLU 26 1HB GLU 26 -1.266 -20.726 -10.298 196 2HB GLU 26 2HB GLU 26 -1.674 -19.112 -9.732 197 1HG GLU 26 1HG GLU 26 0.543 -18.321 -10.290 198 2HG GLU 26 2HG GLU 26 1.022 -19.945 -10.779 199 H GLU 27 H GLU 27 -1.838 -19.409 -6.514 200 HA GLU 27 HA GLU 27 -3.342 -21.936 -6.363 201 1HB GLU 27 1HB GLU 27 -1.622 -21.538 -4.501 202 2HB GLU 27 2HB GLU 27 -2.694 -20.259 -3.948 203 1HG GLU 27 1HG GLU 27 -3.036 -22.353 -2.733 204 2HG GLU 27 2HG GLU 27 -4.479 -21.847 -3.609 205 H CYS 28 H CYS 28 -5.225 -21.335 -7.286 206 HA CYS 28 HA CYS 28 -6.415 -18.768 -6.897 207 1HB CYS 28 1HB CYS 28 -7.810 -21.240 -7.920 208 2HB CYS 28 2HB CYS 28 -8.197 -19.558 -8.267 209 H LYS 29 H LYS 29 -6.348 -18.826 -4.518 210 HA LYS 29 HA LYS 29 -8.417 -20.489 -3.282 211 1HB LYS 29 1HB LYS 29 -6.342 -20.541 -2.101 212 2HB LYS 29 2HB LYS 29 -6.205 -18.788 -2.134 213 1HG LYS 29 1HG LYS 29 -7.868 -18.512 -0.513 214 2HG LYS 29 2HG LYS 29 -8.463 -20.161 -0.719 215 1HD LYS 29 1HD LYS 29 -7.067 -20.912 0.842 216 2HD LYS 29 2HD LYS 29 -5.684 -20.199 0.007 217 1HE LYS 29 1HE LYS 29 -5.859 -19.319 2.263 218 2HE LYS 29 2HE LYS 29 -6.161 -18.046 1.082 219 1HZ LYS 29 1HZ LYS 29 -8.509 -19.473 2.007 220 2HZ LYS 29 2HZ LYS 29 -8.281 -17.818 1.743 221 3HZ LYS 29 3HZ LYS 29 -7.734 -18.529 3.177 222 H CYS 30 H CYS 30 -10.167 -19.641 -2.182 223 HA CYS 30 HA CYS 30 -11.358 -17.336 -3.181 224 1HB CYS 30 1HB CYS 30 -11.953 -18.496 -0.460 225 2HB CYS 30 2HB CYS 30 -13.055 -17.643 -1.535 226 H LEU 31 H LEU 31 -11.703 -15.269 -2.331 227 HA LEU 31 HA LEU 31 -9.512 -13.993 -1.195 228 1HB LEU 31 1HB LEU 31 -12.396 -13.117 -1.128 229 2HB LEU 31 2HB LEU 31 -10.998 -12.080 -0.853 230 HG LEU 31 HG LEU 31 -11.074 -13.508 -3.439 231 1HD1 LEU 31 1HD1 LEU 31 -13.122 -11.499 -2.606 232 2HD1 LEU 31 2HD1 LEU 31 -13.313 -12.963 -3.570 233 3HD1 LEU 31 3HD1 LEU 31 -12.545 -11.540 -4.272 234 1HD2 LEU 31 1HD2 LEU 31 -10.314 -10.772 -2.452 235 2HD2 LEU 31 2HD2 LEU 31 -10.372 -11.181 -4.167 236 3HD2 LEU 31 3HD2 LEU 31 -9.266 -12.038 -3.093 237 H LEU 32 H LEU 32 -9.957 -12.500 0.875 238 HA LEU 32 HA LEU 32 -10.006 -14.325 3.085 239 1HB LEU 32 1HB LEU 32 -8.574 -12.214 2.786 240 2HB LEU 32 2HB LEU 32 -10.009 -11.333 3.307 241 HG LEU 32 HG LEU 32 -9.907 -12.889 5.380 242 1HD1 LEU 32 1HD1 LEU 32 -7.525 -13.455 5.942 243 2HD1 LEU 32 2HD1 LEU 32 -7.134 -13.168 4.246 244 3HD1 LEU 32 3HD1 LEU 32 -8.262 -14.450 4.685 245 1HD2 LEU 32 1HD2 LEU 32 -9.130 -11.093 6.466 246 2HD2 LEU 32 2HD2 LEU 32 -9.083 -10.336 4.874 247 3HD2 LEU 32 3HD2 LEU 32 -7.625 -11.067 5.546 248 H ASN 33 H ASN 33 -12.417 -12.832 1.378 249 HA ASN 33 HA ASN 33 -14.201 -12.687 3.715 250 1HB ASN 33 1HB ASN 33 -14.767 -11.520 0.991 251 2HB ASN 33 2HB ASN 33 -15.567 -11.153 2.517 252 1HD2 ASN 33 1HD2 ASN 33 -12.595 -10.802 0.695 253 2HD2 ASN 33 2HD2 ASN 33 -12.015 -9.415 1.547 254 H TYR 34 H TYR 34 -13.414 -15.138 2.341 255 HA TYR 34 HA TYR 34 -16.101 -16.055 1.602 256 1HB TYR 34 1HB TYR 34 -13.557 -16.536 0.051 257 2HB TYR 34 2HB TYR 34 -14.996 -17.531 -0.148 258 HD1 TYR 34 HD1 TYR 34 -13.935 -13.951 -0.224 259 HD2 TYR 34 HD2 TYR 34 -16.553 -16.935 -1.754 260 HE1 TYR 34 HE1 TYR 34 -14.821 -12.331 -1.849 261 HE2 TYR 34 HE2 TYR 34 -17.446 -15.324 -3.384 262 HH TYR 34 HH TYR 34 -15.983 -12.237 -3.908 263 H LYS 35 H LYS 35 -16.554 -17.344 3.279 264 HA LYS 35 HA LYS 35 -14.515 -19.015 4.482 265 1HB LYS 35 1HB LYS 35 -17.457 -19.012 5.139 266 2HB LYS 35 2HB LYS 35 -16.119 -19.515 6.164 267 1HG LYS 35 1HG LYS 35 -15.351 -17.199 6.300 268 2HG LYS 35 2HG LYS 35 -16.696 -16.695 5.274 269 1HD LYS 35 1HD LYS 35 -17.215 -16.282 7.611 270 2HD LYS 35 2HD LYS 35 -18.276 -17.534 6.960 271 1HE LYS 35 1HE LYS 35 -17.173 -19.234 8.115 272 2HE LYS 35 2HE LYS 35 -15.736 -18.248 8.382 273 1HZ LYS 35 1HZ LYS 35 -16.610 -17.327 10.210 274 2HZ LYS 35 2HZ LYS 35 -17.640 -18.669 10.215 275 3HZ LYS 35 3HZ LYS 35 -18.164 -17.202 9.554 276 H GLN 36 H GLN 36 -13.960 -20.741 3.286 277 HA GLN 36 HA GLN 36 -15.451 -22.101 1.421 278 1HB GLN 36 1HB GLN 36 -12.941 -22.342 2.233 279 2HB GLN 36 2HB GLN 36 -13.609 -23.683 3.155 280 1HG GLN 36 1HG GLN 36 -14.660 -24.267 0.783 281 2HG GLN 36 2HG GLN 36 -13.237 -23.380 0.238 282 1HE2 GLN 36 1HE2 GLN 36 -13.753 -26.135 -0.194 283 2HE2 GLN 36 2HE2 GLN 36 -12.512 -27.032 0.607 284 H GLU 37 H GLU 37 -17.470 -22.804 1.754 285 HA GLU 37 HA GLU 37 -18.218 -24.036 4.273 286 1HB GLU 37 1HB GLU 37 -19.659 -23.009 1.886 287 2HB GLU 37 2HB GLU 37 -20.438 -24.295 2.798 288 1HG GLU 37 1HG GLU 37 -19.384 -21.905 4.234 289 2HG GLU 37 2HG GLU 37 -20.913 -21.801 3.364 290 H GLY 38 H GLY 38 -18.315 -24.957 0.826 291 1HA GLY 38 1HA GLY 38 -18.008 -27.764 1.693 292 2HA GLY 38 2HA GLY 38 -19.147 -27.313 0.432 293 H ASP 39 H ASP 39 -18.442 -27.057 -1.631 294 HA ASP 39 HA ASP 39 -15.548 -27.377 -2.089 295 1HB ASP 39 1HB ASP 39 -16.013 -28.741 -4.022 296 2HB ASP 39 2HB ASP 39 -16.875 -29.419 -2.644 297 H LYS 40 H LYS 40 -16.930 -24.892 -1.871 298 HA LYS 40 HA LYS 40 -16.107 -23.701 -4.351 299 1HB LYS 40 1HB LYS 40 -18.372 -22.556 -4.659 300 2HB LYS 40 2HB LYS 40 -18.252 -24.239 -5.156 301 1HG LYS 40 1HG LYS 40 -19.449 -24.988 -3.271 302 2HG LYS 40 2HG LYS 40 -19.294 -23.428 -2.460 303 1HD LYS 40 1HD LYS 40 -20.684 -23.587 -5.100 304 2HD LYS 40 2HD LYS 40 -21.535 -24.085 -3.635 305 1HE LYS 40 1HE LYS 40 -20.686 -21.799 -2.708 306 2HE LYS 40 2HE LYS 40 -20.506 -21.388 -4.413 307 1HZ LYS 40 1HZ LYS 40 -22.729 -21.357 -4.736 308 2HZ LYS 40 2HZ LYS 40 -22.746 -20.989 -3.086 309 3HZ LYS 40 3HZ LYS 40 -23.044 -22.572 -3.602 310 H CYS 41 H CYS 41 -16.730 -21.242 -4.277 311 HA CYS 41 HA CYS 41 -15.941 -20.308 -1.621 312 1HB CYS 41 1HB CYS 41 -16.023 -18.830 -4.261 313 2HB CYS 41 2HB CYS 41 -15.374 -18.201 -2.750 314 H VAL 42 H VAL 42 -17.133 -18.914 -0.403 315 HA VAL 42 HA VAL 42 -19.688 -17.960 -1.492 316 HB VAL 42 HB VAL 42 -20.676 -18.465 0.824 317 1HG1 VAL 42 1HG1 VAL 42 -21.413 -20.638 0.131 318 2HG1 VAL 42 2HG1 VAL 42 -21.247 -19.627 -1.305 319 3HG1 VAL 42 3HG1 VAL 42 -20.013 -20.829 -0.924 320 1HG2 VAL 42 1HG2 VAL 42 -18.304 -20.327 0.860 321 2HG2 VAL 42 2HG2 VAL 42 -18.620 -19.003 1.981 322 3HG2 VAL 42 3HG2 VAL 42 -19.677 -20.414 1.963 323 H GLU 43 H GLU 43 -19.629 -15.820 -1.357 324 HA GLU 43 HA GLU 43 -17.893 -14.388 0.359 325 1HB GLU 43 1HB GLU 43 -19.246 -12.393 -0.391 326 2HB GLU 43 2HB GLU 43 -18.529 -13.348 -1.681 327 1HG GLU 43 1HG GLU 43 -20.511 -13.622 -2.610 328 2HG GLU 43 2HG GLU 43 -21.117 -14.383 -1.141 329 H ASN 44 H ASN 44 -18.308 -15.077 2.475 330 HA ASN 44 HA ASN 44 -19.314 -15.109 4.520 331 1HB ASN 44 1HB ASN 44 -18.987 -12.721 4.389 332 2HB ASN 44 2HB ASN 44 -20.440 -12.530 3.413 333 1HD2 ASN 44 1HD2 ASN 44 -19.498 -13.991 6.510 334 2HD2 ASN 44 2HD2 ASN 44 -20.847 -13.379 7.400 335 HA PRO 45 HA PRO 45 -23.211 -16.952 2.832 336 1HB PRO 45 1HB PRO 45 -22.873 -19.349 4.062 337 2HB PRO 45 2HB PRO 45 -22.165 -18.969 2.488 338 1HG PRO 45 1HG PRO 45 -20.893 -18.921 5.197 339 2HG PRO 45 2HG PRO 45 -20.245 -19.542 3.668 340 1HD PRO 45 1HD PRO 45 -19.551 -17.124 4.670 341 2HD PRO 45 2HD PRO 45 -19.644 -17.444 2.926 342 H ASN 46 H ASN 46 -21.868 -16.341 5.932 343 HA ASN 46 HA ASN 46 -24.500 -16.749 7.193 344 1HB ASN 46 1HB ASN 46 -21.713 -16.887 8.340 345 2HB ASN 46 2HB ASN 46 -23.143 -16.747 9.358 346 1HD2 ASN 46 1HD2 ASN 46 -23.763 -18.606 10.156 347 2HD2 ASN 46 2HD2 ASN 46 -23.658 -20.143 9.375 348 HA PRO 47 HA PRO 47 -23.719 -12.172 7.022 349 1HB PRO 47 1HB PRO 47 -26.232 -11.537 6.216 350 2HB PRO 47 2HB PRO 47 -24.939 -11.958 5.087 351 1HG PRO 47 1HG PRO 47 -27.161 -13.664 6.143 352 2HG PRO 47 2HG PRO 47 -26.530 -13.545 4.490 353 1HD PRO 47 1HD PRO 47 -25.856 -15.563 6.165 354 2HD PRO 47 2HD PRO 47 -24.741 -14.927 4.939 355 H THR 48 H THR 48 -26.353 -14.116 8.324 356 HA THR 48 HA THR 48 -26.713 -12.127 10.468 357 HB THR 48 HB THR 48 -28.785 -12.403 9.312 358 HG1 THR 48 HG1 THR 48 -30.015 -12.922 11.046 359 1HG2 THR 48 1HG2 THR 48 -28.252 -14.547 8.209 360 2HG2 THR 48 2HG2 THR 48 -29.850 -14.558 8.956 361 3HG2 THR 48 3HG2 THR 48 -28.502 -15.378 9.744 362 1HN NH2 49 1HN THR 49 -25.953 -16.081 11.345 363 2HN NH2 49 2HN THR 49 -26.368 -15.585 9.738 Start of MODEL 4 1 1H ASN 1 1HT ASN 1 2.393 1.856 -1.795 2 HA ASN 1 HA ASN 1 -0.293 0.738 -1.498 3 1HB ASN 1 1HB ASN 1 1.026 0.980 -4.205 4 2HB ASN 1 2HB ASN 1 -0.604 0.414 -3.853 5 1HD2 ASN 1 1HD2 ASN 1 -0.049 2.433 -5.678 6 2HD2 ASN 1 2HD2 ASN 1 -0.704 3.916 -5.081 7 H ILE 2 H ILE 2 -0.326 -1.439 -1.349 8 HA ILE 2 HA ILE 2 2.220 -2.810 -1.237 9 HB ILE 2 HB ILE 2 -0.561 -3.873 -0.728 10 1HG1 ILE 2 1HG1 ILE 2 0.073 -2.074 0.827 11 2HG1 ILE 2 2HG1 ILE 2 -0.006 -3.630 1.645 12 1HG2 ILE 2 1HG2 ILE 2 2.157 -5.068 -0.556 13 2HG2 ILE 2 2HG2 ILE 2 0.955 -5.533 0.647 14 3HG2 ILE 2 3HG2 ILE 2 0.633 -5.793 -1.067 15 1HD1 ILE 2 1HD1 ILE 2 1.909 -2.384 2.405 16 2HD1 ILE 2 2HD1 ILE 2 2.440 -3.801 1.498 17 3HD1 ILE 2 3HD1 ILE 2 2.487 -2.206 0.749 18 H SER 3 H SER 3 3.087 -3.887 -2.871 19 HA SER 3 HA SER 3 1.309 -4.896 -4.995 20 1HB SER 3 1HB SER 3 2.527 -3.143 -6.005 21 2HB SER 3 2HB SER 3 4.021 -3.595 -5.185 22 HG SER 3 HG SER 3 3.407 -4.260 -7.570 23 H GLN 4 H GLN 4 1.155 -7.025 -4.664 24 HA GLN 4 HA GLN 4 3.628 -8.526 -4.109 25 1HB GLN 4 1HB GLN 4 0.815 -8.874 -3.184 26 2HB GLN 4 2HB GLN 4 1.799 -10.314 -3.408 27 1HG GLN 4 1HG GLN 4 3.392 -9.572 -1.808 28 2HG GLN 4 2HG GLN 4 2.645 -7.978 -1.718 29 1HE2 GLN 4 1HE2 GLN 4 2.377 -11.329 -0.823 30 2HE2 GLN 4 2HE2 GLN 4 1.159 -11.118 0.384 31 H HIS 5 H HIS 5 3.738 -10.705 -5.040 32 HA HIS 5 HA HIS 5 3.453 -10.733 -7.787 33 1HB HIS 5 1HB HIS 5 3.665 -13.258 -7.556 34 2HB HIS 5 2HB HIS 5 4.941 -12.300 -6.811 35 HD1 HIS 5 HD1 HIS 5 5.616 -13.729 -4.883 36 HD2 HIS 5 HD2 HIS 5 1.496 -13.250 -5.122 37 HE1 HIS 5 HE1 HIS 5 4.695 -14.786 -2.796 38 H GLN 6 H GLN 6 2.121 -12.264 -9.101 39 HA GLN 6 HA GLN 6 -0.459 -13.004 -8.041 40 1HB GLN 6 1HB GLN 6 -0.090 -10.642 -9.829 41 2HB GLN 6 2HB GLN 6 -1.511 -11.653 -10.057 42 1HG GLN 6 1HG GLN 6 -1.741 -11.331 -7.456 43 2HG GLN 6 2HG GLN 6 -0.777 -9.891 -7.783 44 1HE2 GLN 6 1HE2 GLN 6 -3.858 -11.203 -7.726 45 2HE2 GLN 6 2HE2 GLN 6 -4.694 -9.941 -8.557 46 H CYS 7 H CYS 7 -1.898 -13.724 -10.042 47 HA CYS 7 HA CYS 7 -0.335 -15.738 -11.390 48 1HB CYS 7 1HB CYS 7 -3.267 -15.162 -11.804 49 2HB CYS 7 2HB CYS 7 -2.413 -16.678 -12.071 50 H VAL 8 H VAL 8 0.453 -15.642 -13.389 51 HA VAL 8 HA VAL 8 -0.503 -13.485 -15.159 52 HB VAL 8 HB VAL 8 1.759 -13.608 -16.234 53 1HG1 VAL 8 1HG1 VAL 8 2.796 -12.176 -14.659 54 2HG1 VAL 8 2HG1 VAL 8 1.058 -11.926 -14.484 55 3HG1 VAL 8 3HG1 VAL 8 1.931 -12.913 -13.311 56 1HG2 VAL 8 1HG2 VAL 8 2.014 -15.892 -14.644 57 2HG2 VAL 8 2HG2 VAL 8 3.255 -15.149 -15.654 58 3HG2 VAL 8 3HG2 VAL 8 3.125 -14.710 -13.951 59 H LYS 9 H LYS 9 -0.251 -16.821 -14.733 60 HA LYS 9 HA LYS 9 -0.987 -17.260 -17.541 61 1HB LYS 9 1HB LYS 9 0.876 -19.070 -15.996 62 2HB LYS 9 2HB LYS 9 0.383 -19.250 -17.675 63 1HG LYS 9 1HG LYS 9 1.971 -16.924 -16.615 64 2HG LYS 9 2HG LYS 9 2.672 -18.348 -17.386 65 1HD LYS 9 1HD LYS 9 1.797 -17.810 -19.466 66 2HD LYS 9 2HD LYS 9 0.538 -16.780 -18.780 67 1HE LYS 9 1HE LYS 9 2.009 -15.017 -18.413 68 2HE LYS 9 2HE LYS 9 3.428 -16.060 -18.476 69 1HZ LYS 9 1HZ LYS 9 2.851 -14.532 -20.472 70 2HZ LYS 9 2HZ LYS 9 1.755 -15.756 -20.874 71 3HZ LYS 9 3HZ LYS 9 3.406 -16.105 -20.756 72 H LYS 10 H LYS 10 -2.527 -17.057 -15.048 73 HA LYS 10 HA LYS 10 -3.809 -19.701 -15.168 74 1HB LYS 10 1HB LYS 10 -2.408 -19.200 -13.038 75 2HB LYS 10 2HB LYS 10 -3.733 -18.124 -12.613 76 1HG LYS 10 1HG LYS 10 -4.118 -20.202 -11.534 77 2HG LYS 10 2HG LYS 10 -5.284 -20.067 -12.852 78 1HD LYS 10 1HD LYS 10 -4.371 -22.303 -12.810 79 2HD LYS 10 2HD LYS 10 -3.802 -21.464 -14.256 80 1HE LYS 10 1HE LYS 10 -1.665 -21.045 -13.227 81 2HE LYS 10 2HE LYS 10 -2.229 -21.710 -11.694 82 1HZ LYS 10 1HZ LYS 10 -2.576 -23.848 -12.930 83 2HZ LYS 10 2HZ LYS 10 -0.962 -23.383 -12.734 84 3HZ LYS 10 3HZ LYS 10 -1.729 -23.166 -14.226 85 H GLN 11 H GLN 11 -6.086 -19.688 -14.587 86 HA GLN 11 HA GLN 11 -7.364 -17.205 -15.448 87 1HB GLN 11 1HB GLN 11 -8.470 -19.998 -15.115 88 2HB GLN 11 2HB GLN 11 -9.396 -18.616 -15.684 89 1HG GLN 11 1HG GLN 11 -7.469 -18.467 -17.460 90 2HG GLN 11 2HG GLN 11 -7.267 -20.171 -17.056 91 1HE2 GLN 11 1HE2 GLN 11 -7.927 -19.570 -19.574 92 2HE2 GLN 11 2HE2 GLN 11 -9.573 -19.982 -19.901 93 H CYS 12 H CYS 12 -8.363 -19.727 -13.140 94 HA CYS 12 HA CYS 12 -9.238 -19.614 -11.043 95 1HB CYS 12 1HB CYS 12 -8.039 -16.847 -10.866 96 2HB CYS 12 2HB CYS 12 -8.446 -17.926 -9.536 97 HA PRO 13 HA PRO 13 -13.120 -17.600 -11.412 98 1HB PRO 13 1HB PRO 13 -13.894 -17.461 -8.814 99 2HB PRO 13 2HB PRO 13 -13.859 -18.974 -9.726 100 1HG PRO 13 1HG PRO 13 -11.857 -17.887 -7.784 101 2HG PRO 13 2HG PRO 13 -12.474 -19.541 -7.946 102 1HD PRO 13 1HD PRO 13 -10.072 -18.778 -8.938 103 2HD PRO 13 2HD PRO 13 -11.072 -20.025 -9.711 104 H GLN 14 H GLN 14 -14.415 -15.720 -10.541 105 HA GLN 14 HA GLN 14 -12.629 -13.429 -10.243 106 1HB GLN 14 1HB GLN 14 -14.787 -13.794 -11.849 107 2HB GLN 14 2HB GLN 14 -15.536 -12.975 -10.485 108 1HG GLN 14 1HG GLN 14 -13.513 -11.327 -10.783 109 2HG GLN 14 2HG GLN 14 -13.515 -11.979 -12.421 110 1HE2 GLN 14 1HE2 GLN 14 -16.058 -11.097 -10.105 111 2HE2 GLN 14 2HE2 GLN 14 -16.913 -10.052 -11.182 112 H ASN 15 H ASN 15 -14.206 -15.477 -8.235 113 HA ASN 15 HA ASN 15 -14.823 -13.383 -6.260 114 1HB ASN 15 1HB ASN 15 -15.852 -16.195 -6.604 115 2HB ASN 15 2HB ASN 15 -16.051 -15.313 -5.092 116 1HD2 ASN 15 1HD2 ASN 15 -18.206 -15.029 -5.107 117 2HD2 ASN 15 2HD2 ASN 15 -19.064 -14.134 -6.310 118 H SER 16 H SER 16 -12.190 -14.711 -7.001 119 HA SER 16 HA SER 16 -11.422 -15.379 -4.247 120 1HB SER 16 1HB SER 16 -10.475 -16.895 -6.691 121 2HB SER 16 2HB SER 16 -9.998 -17.203 -5.021 122 HG SER 16 HG SER 16 -11.608 -18.625 -5.413 123 H GLY 17 H GLY 17 -8.921 -15.442 -4.099 124 1HA GLY 17 1HA GLY 17 -7.839 -13.226 -5.729 125 2HA GLY 17 2HA GLY 17 -7.548 -13.351 -4.000 126 H CYS 18 H CYS 18 -7.202 -15.350 -6.934 127 HA CYS 18 HA CYS 18 -5.309 -17.126 -6.050 128 1HB CYS 18 1HB CYS 18 -4.889 -17.640 -8.279 129 2HB CYS 18 2HB CYS 18 -6.485 -16.902 -8.364 130 H PHE 19 H PHE 19 -2.965 -17.225 -6.640 131 HA PHE 19 HA PHE 19 -1.454 -14.886 -7.089 132 1HB PHE 19 1HB PHE 19 -0.569 -14.401 -4.935 133 2HB PHE 19 2HB PHE 19 -2.317 -14.465 -4.742 134 HD1 PHE 19 HD1 PHE 19 -3.176 -16.971 -4.200 135 HD2 PHE 19 HD2 PHE 19 0.665 -15.382 -3.282 136 HE1 PHE 19 HE1 PHE 19 -2.917 -18.640 -2.410 137 HE2 PHE 19 HE2 PHE 19 0.930 -17.048 -1.491 138 HZ PHE 19 HZ PHE 19 -0.861 -18.680 -1.053 139 H ARG 20 H ARG 20 0.666 -15.362 -7.509 140 HA ARG 20 HA ARG 20 1.329 -18.175 -7.658 141 1HB ARG 20 1HB ARG 20 1.817 -16.202 -9.370 142 2HB ARG 20 2HB ARG 20 3.283 -16.054 -8.410 143 1HG ARG 20 1HG ARG 20 4.185 -17.897 -9.290 144 2HG ARG 20 2HG ARG 20 2.670 -18.797 -9.200 145 1HD ARG 20 1HD ARG 20 2.262 -18.452 -11.359 146 2HD ARG 20 2HD ARG 20 2.493 -16.713 -11.176 147 HE ARG 20 HE ARG 20 4.324 -18.552 -12.314 148 1HH1 ARG 20 1HH1 ARG 20 4.166 -15.688 -10.341 149 2HH1 ARG 20 2HH1 ARG 20 5.737 -15.124 -10.805 150 1HH2 ARG 20 1HH2 ARG 20 6.393 -17.819 -12.933 151 2HH2 ARG 20 2HH2 ARG 20 7.003 -16.336 -12.280 152 H HIS 21 H HIS 21 2.400 -19.232 -6.134 153 HA HIS 21 HA HIS 21 3.458 -17.951 -3.836 154 1HB HIS 21 1HB HIS 21 3.284 -20.739 -4.847 155 2HB HIS 21 2HB HIS 21 4.520 -20.409 -3.636 156 HD1 HIS 21 HD1 HIS 21 3.394 -18.952 -1.480 157 HD2 HIS 21 HD2 HIS 21 0.967 -21.489 -3.701 158 HE1 HIS 21 HE1 HIS 21 1.412 -19.443 -0.012 159 H LEU 22 H LEU 22 5.744 -18.480 -3.058 160 HA LEU 22 HA LEU 22 7.589 -17.226 -4.779 161 1HB LEU 22 1HB LEU 22 8.229 -18.929 -2.380 162 2HB LEU 22 2HB LEU 22 9.236 -17.669 -3.090 163 HG LEU 22 HG LEU 22 6.658 -17.300 -1.570 164 1HD1 LEU 22 1HD1 LEU 22 9.488 -16.442 -0.984 165 2HD1 LEU 22 2HD1 LEU 22 8.615 -17.749 -0.185 166 3HD1 LEU 22 3HD1 LEU 22 8.069 -16.083 0.001 167 1HD2 LEU 22 1HD2 LEU 22 6.695 -15.712 -3.380 168 2HD2 LEU 22 2HD2 LEU 22 8.366 -15.281 -3.019 169 3HD2 LEU 22 3HD2 LEU 22 7.084 -14.879 -1.875 170 H ASP 23 H ASP 23 6.652 -20.518 -4.390 171 HA ASP 23 HA ASP 23 9.005 -21.497 -5.822 172 1HB ASP 23 1HB ASP 23 6.797 -22.802 -4.272 173 2HB ASP 23 2HB ASP 23 7.709 -23.746 -5.447 174 H GLU 24 H GLU 24 6.886 -19.810 -7.055 175 HA GLU 24 HA GLU 24 5.738 -19.661 -9.014 176 1HB GLU 24 1HB GLU 24 7.153 -22.193 -9.839 177 2HB GLU 24 2HB GLU 24 6.543 -20.911 -10.876 178 1HG GLU 24 1HG GLU 24 8.222 -19.380 -9.908 179 2HG GLU 24 2HG GLU 24 8.869 -20.730 -8.976 180 H ARG 25 H ARG 25 4.236 -20.713 -7.054 181 HA ARG 25 HA ARG 25 2.670 -22.774 -8.454 182 1HB ARG 25 1HB ARG 25 3.766 -23.895 -6.631 183 2HB ARG 25 2HB ARG 25 3.305 -22.625 -5.507 184 1HG ARG 25 1HG ARG 25 1.907 -24.529 -5.138 185 2HG ARG 25 2HG ARG 25 0.932 -23.245 -5.854 186 1HD ARG 25 1HD ARG 25 1.744 -24.524 -8.081 187 2HD ARG 25 2HD ARG 25 1.715 -25.872 -6.944 188 HE ARG 25 HE ARG 25 -0.667 -24.268 -6.885 189 1HH1 ARG 25 1HH1 ARG 25 0.956 -26.919 -8.453 190 2HH1 ARG 25 2HH1 ARG 25 -0.509 -27.660 -9.006 191 1HH2 ARG 25 1HH2 ARG 25 -2.603 -25.234 -7.608 192 2HH2 ARG 25 2HH2 ARG 25 -2.533 -26.700 -8.526 193 H GLU 26 H GLU 26 0.939 -21.686 -9.160 194 HA GLU 26 HA GLU 26 -0.186 -19.472 -7.726 195 1HB GLU 26 1HB GLU 26 -1.494 -20.934 -10.010 196 2HB GLU 26 2HB GLU 26 -1.698 -19.254 -9.536 197 1HG GLU 26 1HG GLU 26 -0.316 -18.912 -11.278 198 2HG GLU 26 2HG GLU 26 0.919 -19.227 -10.059 199 H GLU 27 H GLU 27 -1.877 -19.433 -6.363 200 HA GLU 27 HA GLU 27 -3.424 -21.913 -6.009 201 1HB GLU 27 1HB GLU 27 -1.599 -21.046 -4.193 202 2HB GLU 27 2HB GLU 27 -3.045 -20.228 -3.616 203 1HG GLU 27 1HG GLU 27 -4.198 -22.448 -3.629 204 2HG GLU 27 2HG GLU 27 -2.634 -23.184 -3.974 205 H CYS 28 H CYS 28 -5.221 -21.212 -7.102 206 HA CYS 28 HA CYS 28 -6.374 -18.631 -6.713 207 1HB CYS 28 1HB CYS 28 -7.775 -21.058 -7.833 208 2HB CYS 28 2HB CYS 28 -8.120 -19.363 -8.162 209 H LYS 29 H LYS 29 -6.439 -18.680 -4.351 210 HA LYS 29 HA LYS 29 -8.616 -20.305 -3.241 211 1HB LYS 29 1HB LYS 29 -7.683 -19.903 -1.082 212 2HB LYS 29 2HB LYS 29 -6.351 -20.333 -2.147 213 1HG LYS 29 1HG LYS 29 -5.883 -17.892 -2.411 214 2HG LYS 29 2HG LYS 29 -7.090 -17.589 -1.160 215 1HD LYS 29 1HD LYS 29 -5.660 -19.355 0.173 216 2HD LYS 29 2HD LYS 29 -4.394 -18.841 -0.943 217 1HE LYS 29 1HE LYS 29 -6.010 -17.023 0.841 218 2HE LYS 29 2HE LYS 29 -4.359 -17.558 1.151 219 1HZ LYS 29 1HZ LYS 29 -5.344 -15.571 -0.734 220 2HZ LYS 29 2HZ LYS 29 -4.066 -16.539 -1.271 221 3HZ LYS 29 3HZ LYS 29 -3.893 -15.615 0.135 222 H CYS 30 H CYS 30 -10.358 -19.393 -2.188 223 HA CYS 30 HA CYS 30 -11.373 -16.991 -3.132 224 1HB CYS 30 1HB CYS 30 -12.109 -18.189 -0.461 225 2HB CYS 30 2HB CYS 30 -13.129 -17.238 -1.536 226 H LEU 31 H LEU 31 -11.616 -14.930 -2.233 227 HA LEU 31 HA LEU 31 -9.385 -13.819 -1.005 228 1HB LEU 31 1HB LEU 31 -12.213 -12.776 -0.988 229 2HB LEU 31 2HB LEU 31 -10.766 -11.831 -0.644 230 HG LEU 31 HG LEU 31 -10.829 -13.175 -3.270 231 1HD1 LEU 31 1HD1 LEU 31 -12.833 -11.122 -2.443 232 2HD1 LEU 31 2HD1 LEU 31 -13.036 -12.541 -3.468 233 3HD1 LEU 31 3HD1 LEU 31 -12.195 -11.120 -4.087 234 1HD2 LEU 31 1HD2 LEU 31 -9.407 -11.525 -3.831 235 2HD2 LEU 31 2HD2 LEU 31 -9.244 -11.327 -2.086 236 3HD2 LEU 31 3HD2 LEU 31 -10.345 -10.288 -2.994 237 H LEU 32 H LEU 32 -9.786 -12.365 1.095 238 HA LEU 32 HA LEU 32 -10.011 -14.243 3.249 239 1HB LEU 32 1HB LEU 32 -9.652 -11.250 3.294 240 2HB LEU 32 2HB LEU 32 -9.480 -12.322 4.682 241 HG LEU 32 HG LEU 32 -7.727 -12.366 2.226 242 1HD1 LEU 32 1HD1 LEU 32 -6.971 -11.433 4.979 243 2HD1 LEU 32 2HD1 LEU 32 -7.566 -10.332 3.737 244 3HD1 LEU 32 3HD1 LEU 32 -6.080 -11.242 3.468 245 1HD2 LEU 32 1HD2 LEU 32 -7.409 -14.469 2.989 246 2HD2 LEU 32 2HD2 LEU 32 -7.986 -14.087 4.612 247 3HD2 LEU 32 3HD2 LEU 32 -6.345 -13.651 4.133 248 H ASN 33 H ASN 33 -12.274 -12.544 1.529 249 HA ASN 33 HA ASN 33 -14.099 -12.317 3.826 250 1HB ASN 33 1HB ASN 33 -14.520 -11.114 1.089 251 2HB ASN 33 2HB ASN 33 -15.355 -10.713 2.587 252 1HD2 ASN 33 1HD2 ASN 33 -12.395 -10.402 0.780 253 2HD2 ASN 33 2HD2 ASN 33 -11.738 -9.095 1.699 254 H TYR 34 H TYR 34 -13.393 -14.785 2.347 255 HA TYR 34 HA TYR 34 -16.129 -15.553 1.601 256 1HB TYR 34 1HB TYR 34 -13.594 -16.177 0.084 257 2HB TYR 34 2HB TYR 34 -15.097 -17.060 -0.156 258 HD1 TYR 34 HD1 TYR 34 -16.527 -16.349 -1.825 259 HD2 TYR 34 HD2 TYR 34 -13.824 -13.547 -0.110 260 HE1 TYR 34 HE1 TYR 34 -17.270 -14.652 -3.443 261 HE2 TYR 34 HE2 TYR 34 -14.560 -11.841 -1.722 262 HH TYR 34 HH TYR 34 -16.224 -11.317 -3.217 263 H LYS 35 H LYS 35 -16.814 -17.151 2.844 264 HA LYS 35 HA LYS 35 -14.837 -18.873 4.167 265 1HB LYS 35 1HB LYS 35 -16.825 -19.489 5.631 266 2HB LYS 35 2HB LYS 35 -16.223 -17.844 5.779 267 1HG LYS 35 1HG LYS 35 -18.072 -16.928 4.783 268 2HG LYS 35 2HG LYS 35 -18.447 -18.398 3.879 269 1HD LYS 35 1HD LYS 35 -18.685 -18.190 6.876 270 2HD LYS 35 2HD LYS 35 -20.020 -17.850 5.772 271 1HE LYS 35 1HE LYS 35 -18.522 -20.456 6.034 272 2HE LYS 35 2HE LYS 35 -20.162 -20.130 6.594 273 1HZ LYS 35 1HZ LYS 35 -20.877 -20.767 4.614 274 2HZ LYS 35 2HZ LYS 35 -19.298 -20.940 4.033 275 3HZ LYS 35 3HZ LYS 35 -20.087 -19.448 3.909 276 H GLN 36 H GLN 36 -14.475 -20.298 2.435 277 HA GLN 36 HA GLN 36 -16.323 -21.561 0.840 278 1HB GLN 36 1HB GLN 36 -13.892 -21.764 0.544 279 2HB GLN 36 2HB GLN 36 -13.798 -22.763 1.988 280 1HG GLN 36 1HG GLN 36 -15.570 -24.205 0.643 281 2HG GLN 36 2HG GLN 36 -14.772 -23.431 -0.725 282 1HE2 GLN 36 1HE2 GLN 36 -14.118 -25.601 -1.282 283 2HE2 GLN 36 2HE2 GLN 36 -12.725 -26.291 -0.528 284 H GLU 37 H GLU 37 -18.033 -22.766 1.292 285 HA GLU 37 HA GLU 37 -18.186 -24.128 3.874 286 1HB GLU 37 1HB GLU 37 -20.070 -22.707 3.287 287 2HB GLU 37 2HB GLU 37 -20.296 -23.583 1.780 288 1HG GLU 37 1HG GLU 37 -20.807 -25.617 3.082 289 2HG GLU 37 2HG GLU 37 -20.679 -24.667 4.561 290 H GLY 38 H GLY 38 -18.428 -24.793 0.406 291 1HA GLY 38 1HA GLY 38 -18.016 -27.648 1.032 292 2HA GLY 38 2HA GLY 38 -19.184 -27.142 -0.180 293 H ASP 39 H ASP 39 -18.514 -26.757 -2.223 294 HA ASP 39 HA ASP 39 -15.610 -26.849 -2.720 295 1HB ASP 39 1HB ASP 39 -17.860 -28.192 -4.212 296 2HB ASP 39 2HB ASP 39 -16.275 -27.940 -4.937 297 H LYS 40 H LYS 40 -16.714 -24.425 -2.346 298 HA LYS 40 HA LYS 40 -16.205 -23.118 -4.818 299 1HB LYS 40 1HB LYS 40 -18.494 -21.980 -4.892 300 2HB LYS 40 2HB LYS 40 -18.400 -23.632 -5.486 301 1HG LYS 40 1HG LYS 40 -19.447 -24.493 -3.562 302 2HG LYS 40 2HG LYS 40 -19.238 -22.980 -2.678 303 1HD LYS 40 1HD LYS 40 -20.835 -23.028 -5.207 304 2HD LYS 40 2HD LYS 40 -21.561 -23.577 -3.695 305 1HE LYS 40 1HE LYS 40 -22.127 -21.362 -3.630 306 2HE LYS 40 2HE LYS 40 -20.578 -21.308 -2.791 307 1HZ LYS 40 1HZ LYS 40 -20.410 -21.032 -5.663 308 2HZ LYS 40 2HZ LYS 40 -19.635 -20.153 -4.444 309 3HZ LYS 40 3HZ LYS 40 -21.221 -19.767 -4.886 310 H CYS 41 H CYS 41 -17.109 -20.662 -4.506 311 HA CYS 41 HA CYS 41 -16.119 -19.864 -1.852 312 1HB CYS 41 1HB CYS 41 -16.110 -18.334 -4.463 313 2HB CYS 41 2HB CYS 41 -15.532 -17.705 -2.923 314 H VAL 42 H VAL 42 -17.186 -18.267 -0.680 315 HA VAL 42 HA VAL 42 -19.772 -17.342 -1.713 316 HB VAL 42 HB VAL 42 -20.765 -17.767 0.571 317 1HG1 VAL 42 1HG1 VAL 42 -20.603 -20.441 -0.011 318 2HG1 VAL 42 2HG1 VAL 42 -21.723 -19.296 -0.753 319 3HG1 VAL 42 3HG1 VAL 42 -20.201 -19.688 -1.553 320 1HG2 VAL 42 1HG2 VAL 42 -19.093 -20.001 1.220 321 2HG2 VAL 42 2HG2 VAL 42 -18.121 -18.531 1.154 322 3HG2 VAL 42 3HG2 VAL 42 -19.528 -18.610 2.214 323 H GLU 43 H GLU 43 -19.692 -15.200 -1.650 324 HA GLU 43 HA GLU 43 -17.891 -13.752 0.009 325 1HB GLU 43 1HB GLU 43 -19.147 -11.747 -0.864 326 2HB GLU 43 2HB GLU 43 -18.447 -12.791 -2.093 327 1HG GLU 43 1HG GLU 43 -20.423 -12.980 -3.053 328 2HG GLU 43 2HG GLU 43 -21.064 -13.724 -1.589 329 H ASN 44 H ASN 44 -18.544 -14.619 2.095 330 HA ASN 44 HA ASN 44 -19.676 -14.593 4.076 331 1HB ASN 44 1HB ASN 44 -18.836 -12.335 4.151 332 2HB ASN 44 2HB ASN 44 -20.141 -11.765 3.115 333 1HD2 ASN 44 1HD2 ASN 44 -19.939 -13.752 6.052 334 2HD2 ASN 44 2HD2 ASN 44 -21.109 -12.849 6.946 335 HA PRO 45 HA PRO 45 -23.773 -15.389 2.050 336 1HB PRO 45 1HB PRO 45 -24.013 -17.919 3.006 337 2HB PRO 45 2HB PRO 45 -23.162 -17.536 1.506 338 1HG PRO 45 1HG PRO 45 -22.049 -18.051 4.236 339 2HG PRO 45 2HG PRO 45 -21.469 -18.632 2.664 340 1HD PRO 45 1HD PRO 45 -20.332 -16.541 3.955 341 2HD PRO 45 2HD PRO 45 -20.401 -16.646 2.184 342 H ASN 46 H ASN 46 -22.557 -16.044 5.299 343 HA ASN 46 HA ASN 46 -25.056 -15.004 6.399 344 1HB ASN 46 1HB ASN 46 -23.973 -17.754 6.822 345 2HB ASN 46 2HB ASN 46 -24.731 -16.941 8.188 346 1HD2 ASN 46 1HD2 ASN 46 -26.780 -15.606 7.126 347 2HD2 ASN 46 2HD2 ASN 46 -27.898 -16.682 6.368 348 HA PRO 47 HA PRO 47 -22.492 -12.949 9.306 349 1HB PRO 47 1HB PRO 47 -23.992 -13.024 11.568 350 2HB PRO 47 2HB PRO 47 -24.398 -12.007 10.179 351 1HG PRO 47 1HG PRO 47 -25.512 -14.672 10.965 352 2HG PRO 47 2HG PRO 47 -26.363 -13.235 10.370 353 1HD PRO 47 1HD PRO 47 -25.776 -15.344 8.777 354 2HD PRO 47 2HD PRO 47 -25.832 -13.676 8.171 355 H THR 48 H THR 48 -23.887 -15.968 10.563 356 HA THR 48 HA THR 48 -21.296 -16.533 11.845 357 HB THR 48 HB THR 48 -22.403 -17.577 13.728 358 HG1 THR 48 HG1 THR 48 -24.380 -18.248 13.415 359 1HG2 THR 48 1HG2 THR 48 -23.344 -15.626 14.805 360 2HG2 THR 48 2HG2 THR 48 -23.620 -14.856 13.242 361 3HG2 THR 48 3HG2 THR 48 -21.974 -15.135 13.810 362 1HN NH2 49 1HN THR 49 -21.649 -20.062 11.235 363 2HN NH2 49 2HN THR 49 -21.085 -18.929 12.419 Start of MODEL 5 1 1H ASN 1 1HT ASN 1 0.437 -0.661 -8.062 2 HA ASN 1 HA ASN 1 2.210 -0.143 -5.850 3 1HB ASN 1 1HB ASN 1 -0.669 -0.617 -5.125 4 2HB ASN 1 2HB ASN 1 0.641 -0.023 -4.109 5 1HD2 ASN 1 1HD2 ASN 1 -2.070 0.841 -5.753 6 2HD2 ASN 1 2HD2 ASN 1 -1.775 2.535 -5.923 7 H ILE 2 H ILE 2 3.257 -2.023 -5.838 8 HA ILE 2 HA ILE 2 1.660 -4.500 -5.848 9 HB ILE 2 HB ILE 2 4.436 -4.178 -6.993 10 1HG1 ILE 2 1HG1 ILE 2 2.777 -3.043 -8.387 11 2HG1 ILE 2 2HG1 ILE 2 3.354 -4.503 -9.184 12 1HG2 ILE 2 1HG2 ILE 2 3.908 -6.464 -7.934 13 2HG2 ILE 2 2HG2 ILE 2 4.191 -6.389 -6.196 14 3HG2 ILE 2 3HG2 ILE 2 2.545 -6.510 -6.817 15 1HD1 ILE 2 1HD1 ILE 2 0.684 -3.751 -8.448 16 2HD1 ILE 2 2HD1 ILE 2 1.239 -5.077 -9.470 17 3HD1 ILE 2 3HD1 ILE 2 1.118 -5.299 -7.725 18 H SER 3 H SER 3 1.606 -4.803 -3.652 19 HA SER 3 HA SER 3 4.149 -4.849 -2.197 20 1HB SER 3 1HB SER 3 1.269 -4.708 -1.343 21 2HB SER 3 2HB SER 3 2.522 -5.196 -0.201 22 HG SER 3 HG SER 3 3.444 -3.225 -0.348 23 H GLN 4 H GLN 4 1.574 -6.906 -3.325 24 HA GLN 4 HA GLN 4 3.058 -9.235 -2.309 25 1HB GLN 4 1HB GLN 4 0.873 -10.395 -2.018 26 2HB GLN 4 2HB GLN 4 1.095 -9.030 -0.932 27 1HG GLN 4 1HG GLN 4 -0.262 -7.651 -2.496 28 2HG GLN 4 2HG GLN 4 -0.587 -9.115 -3.422 29 1HE2 GLN 4 1HE2 GLN 4 -2.573 -7.531 -2.256 30 2HE2 GLN 4 2HE2 GLN 4 -3.355 -8.453 -1.022 31 H HIS 5 H HIS 5 3.426 -10.835 -3.743 32 HA HIS 5 HA HIS 5 3.244 -10.399 -6.476 33 1HB HIS 5 1HB HIS 5 3.613 -12.913 -6.653 34 2HB HIS 5 2HB HIS 5 4.807 -12.013 -5.723 35 HD1 HIS 5 HD1 HIS 5 5.426 -14.194 -4.439 36 HD2 HIS 5 HD2 HIS 5 1.504 -12.931 -3.908 37 HE1 HIS 5 HE1 HIS 5 4.558 -15.503 -2.476 38 H GLN 6 H GLN 6 2.093 -11.946 -8.031 39 HA GLN 6 HA GLN 6 -0.489 -12.908 -7.201 40 1HB GLN 6 1HB GLN 6 -1.738 -11.446 -8.804 41 2HB GLN 6 2HB GLN 6 -1.091 -10.600 -7.405 42 1HG GLN 6 1HG GLN 6 0.787 -9.808 -8.766 43 2HG GLN 6 2HG GLN 6 0.103 -10.630 -10.167 44 1HE2 GLN 6 1HE2 GLN 6 -1.678 -9.775 -11.187 45 2HE2 GLN 6 2HE2 GLN 6 -2.273 -8.186 -10.861 46 H CYS 7 H CYS 7 -1.797 -13.279 -9.470 47 HA CYS 7 HA CYS 7 -0.106 -15.141 -10.896 48 1HB CYS 7 1HB CYS 7 -2.998 -14.507 -11.478 49 2HB CYS 7 2HB CYS 7 -2.112 -15.974 -11.881 50 H VAL 8 H VAL 8 0.645 -14.957 -12.938 51 HA VAL 8 HA VAL 8 0.017 -12.459 -14.374 52 HB VAL 8 HB VAL 8 2.267 -12.758 -15.466 53 1HG1 VAL 8 1HG1 VAL 8 3.532 -12.011 -13.389 54 2HG1 VAL 8 2HG1 VAL 8 2.102 -11.075 -13.829 55 3HG1 VAL 8 3HG1 VAL 8 2.020 -12.248 -12.514 56 1HG2 VAL 8 1HG2 VAL 8 2.908 -14.589 -13.176 57 2HG2 VAL 8 2HG2 VAL 8 2.369 -15.215 -14.735 58 3HG2 VAL 8 3HG2 VAL 8 3.851 -14.264 -14.631 59 H LYS 9 H LYS 9 0.079 -15.888 -14.497 60 HA LYS 9 HA LYS 9 -0.944 -15.797 -17.240 61 1HB LYS 9 1HB LYS 9 1.237 -17.655 -16.275 62 2HB LYS 9 2HB LYS 9 0.388 -17.829 -17.805 63 1HG LYS 9 1HG LYS 9 1.450 -16.049 -18.760 64 2HG LYS 9 2HG LYS 9 1.706 -15.232 -17.216 65 1HD LYS 9 1HD LYS 9 3.107 -17.740 -17.247 66 2HD LYS 9 2HD LYS 9 3.544 -16.786 -18.667 67 1HE LYS 9 1HE LYS 9 3.599 -14.902 -16.701 68 2HE LYS 9 2HE LYS 9 4.134 -16.336 -15.827 69 1HZ LYS 9 1HZ LYS 9 5.964 -15.056 -16.840 70 2HZ LYS 9 2HZ LYS 9 5.331 -15.389 -18.372 71 3HZ LYS 9 3HZ LYS 9 5.893 -16.652 -17.397 72 H LYS 10 H LYS 10 -2.610 -15.972 -15.164 73 HA LYS 10 HA LYS 10 -3.572 -18.728 -15.351 74 1HB LYS 10 1HB LYS 10 -2.258 -18.249 -13.166 75 2HB LYS 10 2HB LYS 10 -3.669 -17.304 -12.706 76 1HG LYS 10 1HG LYS 10 -3.801 -19.531 -11.778 77 2HG LYS 10 2HG LYS 10 -5.078 -19.289 -12.972 78 1HD LYS 10 1HD LYS 10 -2.846 -20.303 -14.364 79 2HD LYS 10 2HD LYS 10 -3.021 -21.281 -12.904 80 1HE LYS 10 1HE LYS 10 -5.593 -21.138 -13.691 81 2HE LYS 10 2HE LYS 10 -4.788 -21.035 -15.257 82 1HZ LYS 10 1HZ LYS 10 -4.040 -23.145 -15.114 83 2HZ LYS 10 2HZ LYS 10 -5.380 -23.332 -14.101 84 3HZ LYS 10 3HZ LYS 10 -3.843 -23.101 -13.435 85 H GLN 11 H GLN 11 -5.854 -18.944 -14.764 86 HA GLN 11 HA GLN 11 -7.336 -16.558 -15.562 87 1HB GLN 11 1HB GLN 11 -7.944 -19.491 -15.509 88 2HB GLN 11 2HB GLN 11 -9.264 -18.329 -15.554 89 1HG GLN 11 1HG GLN 11 -8.304 -17.361 -17.604 90 2HG GLN 11 2HG GLN 11 -7.046 -18.595 -17.571 91 1HE2 GLN 11 1HE2 GLN 11 -9.051 -18.064 -19.604 92 2HE2 GLN 11 2HE2 GLN 11 -9.958 -19.523 -19.783 93 H CYS 12 H CYS 12 -8.260 -19.200 -13.374 94 HA CYS 12 HA CYS 12 -9.176 -19.208 -11.292 95 1HB CYS 12 1HB CYS 12 -8.003 -16.446 -10.945 96 2HB CYS 12 2HB CYS 12 -8.426 -17.597 -9.681 97 HA PRO 13 HA PRO 13 -13.069 -17.209 -11.613 98 1HB PRO 13 1HB PRO 13 -13.884 -17.213 -9.023 99 2HB PRO 13 2HB PRO 13 -13.822 -18.676 -10.013 100 1HG PRO 13 1HG PRO 13 -11.859 -17.676 -7.986 101 2HG PRO 13 2HG PRO 13 -12.458 -19.325 -8.244 102 1HD PRO 13 1HD PRO 13 -10.049 -18.491 -9.157 103 2HD PRO 13 2HD PRO 13 -11.026 -19.703 -10.010 104 H GLN 14 H GLN 14 -14.393 -15.386 -10.668 105 HA GLN 14 HA GLN 14 -12.633 -13.100 -10.222 106 1HB GLN 14 1HB GLN 14 -15.535 -13.330 -11.010 107 2HB GLN 14 2HB GLN 14 -14.775 -11.793 -10.619 108 1HG GLN 14 1HG GLN 14 -13.484 -11.789 -12.514 109 2HG GLN 14 2HG GLN 14 -13.522 -13.544 -12.673 110 1HE2 GLN 14 1HE2 GLN 14 -15.590 -14.504 -13.302 111 2HE2 GLN 14 2HE2 GLN 14 -16.616 -13.628 -14.381 112 H ASN 15 H ASN 15 -14.199 -15.265 -8.342 113 HA ASN 15 HA ASN 15 -14.856 -13.281 -6.267 114 1HB ASN 15 1HB ASN 15 -15.916 -16.040 -6.827 115 2HB ASN 15 2HB ASN 15 -16.086 -15.311 -5.233 116 1HD2 ASN 15 1HD2 ASN 15 -18.251 -15.040 -5.222 117 2HD2 ASN 15 2HD2 ASN 15 -19.103 -14.001 -6.309 118 H SER 16 H SER 16 -12.208 -14.518 -7.018 119 HA SER 16 HA SER 16 -11.489 -15.363 -4.303 120 1HB SER 16 1HB SER 16 -10.502 -16.752 -6.806 121 2HB SER 16 2HB SER 16 -10.070 -17.155 -5.145 122 HG SER 16 HG SER 16 -11.717 -18.519 -5.950 123 H GLY 17 H GLY 17 -9.003 -15.426 -4.099 124 1HA GLY 17 1HA GLY 17 -7.875 -13.152 -5.615 125 2HA GLY 17 2HA GLY 17 -7.629 -13.344 -3.885 126 H CYS 18 H CYS 18 -7.188 -15.187 -6.905 127 HA CYS 18 HA CYS 18 -5.346 -17.031 -6.058 128 1HB CYS 18 1HB CYS 18 -4.816 -17.396 -8.299 129 2HB CYS 18 2HB CYS 18 -6.419 -16.674 -8.394 130 H PHE 19 H PHE 19 -2.982 -17.118 -6.540 131 HA PHE 19 HA PHE 19 -1.437 -14.767 -6.779 132 1HB PHE 19 1HB PHE 19 -0.632 -14.444 -4.559 133 2HB PHE 19 2HB PHE 19 -2.388 -14.484 -4.450 134 HD1 PHE 19 HD1 PHE 19 0.504 -15.555 -2.919 135 HD2 PHE 19 HD2 PHE 19 -3.315 -17.004 -4.116 136 HE1 PHE 19 HE1 PHE 19 0.656 -17.339 -1.232 137 HE2 PHE 19 HE2 PHE 19 -3.170 -18.790 -2.431 138 HZ PHE 19 HZ PHE 19 -1.183 -18.959 -0.985 139 H ARG 20 H ARG 20 0.705 -15.229 -7.120 140 HA ARG 20 HA ARG 20 1.357 -18.052 -7.363 141 1HB ARG 20 1HB ARG 20 1.818 -16.096 -9.076 142 2HB ARG 20 2HB ARG 20 3.267 -15.879 -8.104 143 1HG ARG 20 1HG ARG 20 4.240 -17.734 -8.905 144 2HG ARG 20 2HG ARG 20 2.729 -18.646 -8.917 145 1HD ARG 20 1HD ARG 20 2.654 -18.388 -11.122 146 2HD ARG 20 2HD ARG 20 2.439 -16.657 -10.868 147 HE ARG 20 HE ARG 20 5.109 -16.937 -10.714 148 1HH1 ARG 20 1HH1 ARG 20 2.760 -18.035 -13.037 149 2HH1 ARG 20 2HH1 ARG 20 3.861 -17.975 -14.374 150 1HH2 ARG 20 1HH2 ARG 20 6.568 -16.854 -12.465 151 2HH2 ARG 20 2HH2 ARG 20 6.027 -17.304 -14.047 152 H HIS 21 H HIS 21 2.462 -19.122 -5.872 153 HA HIS 21 HA HIS 21 3.517 -17.849 -3.561 154 1HB HIS 21 1HB HIS 21 3.400 -20.643 -4.595 155 2HB HIS 21 2HB HIS 21 4.560 -20.284 -3.320 156 HD1 HIS 21 HD1 HIS 21 3.317 -18.900 -1.206 157 HD2 HIS 21 HD2 HIS 21 1.011 -21.393 -3.600 158 HE1 HIS 21 HE1 HIS 21 1.263 -19.420 0.148 159 H LEU 22 H LEU 22 5.851 -18.740 -2.858 160 HA LEU 22 HA LEU 22 7.695 -17.316 -4.479 161 1HB LEU 22 1HB LEU 22 8.510 -19.283 -2.375 162 2HB LEU 22 2HB LEU 22 9.288 -17.772 -2.841 163 HG LEU 22 HG LEU 22 6.766 -18.102 -1.223 164 1HD1 LEU 22 1HD1 LEU 22 8.437 -18.376 0.303 165 2HD1 LEU 22 2HD1 LEU 22 8.333 -16.616 0.297 166 3HD1 LEU 22 3HD1 LEU 22 9.597 -17.427 -0.626 167 1HD2 LEU 22 1HD2 LEU 22 6.556 -16.211 -2.767 168 2HD2 LEU 22 2HD2 LEU 22 8.088 -15.564 -2.179 169 3HD2 LEU 22 3HD2 LEU 22 6.701 -15.673 -1.093 170 H ASP 23 H ASP 23 6.658 -20.601 -4.378 171 HA ASP 23 HA ASP 23 8.944 -21.507 -5.960 172 1HB ASP 23 1HB ASP 23 7.934 -22.828 -3.992 173 2HB ASP 23 2HB ASP 23 6.620 -23.216 -5.099 174 H GLU 24 H GLU 24 6.982 -19.637 -7.047 175 HA GLU 24 HA GLU 24 5.736 -19.283 -8.921 176 1HB GLU 24 1HB GLU 24 7.046 -21.755 -10.038 177 2HB GLU 24 2HB GLU 24 6.490 -20.333 -10.910 178 1HG GLU 24 1HG GLU 24 8.248 -19.009 -9.774 179 2HG GLU 24 2HG GLU 24 8.845 -20.500 -9.046 180 H ARG 25 H ARG 25 4.379 -20.672 -6.943 181 HA ARG 25 HA ARG 25 2.738 -22.557 -8.506 182 1HB ARG 25 1HB ARG 25 3.838 -23.700 -6.671 183 2HB ARG 25 2HB ARG 25 3.260 -22.493 -5.531 184 1HG ARG 25 1HG ARG 25 1.122 -23.318 -5.525 185 2HG ARG 25 2HG ARG 25 1.276 -24.026 -7.134 186 1HD ARG 25 1HD ARG 25 1.257 -25.851 -5.653 187 2HD ARG 25 2HD ARG 25 2.948 -25.633 -6.101 188 HE ARG 25 HE ARG 25 2.308 -24.211 -3.723 189 1HH1 ARG 25 1HH1 ARG 25 3.012 -27.387 -4.962 190 2HH1 ARG 25 2HH1 ARG 25 3.634 -27.979 -3.457 191 1HH2 ARG 25 1HH2 ARG 25 3.125 -24.978 -1.736 192 2HH2 ARG 25 2HH2 ARG 25 3.697 -26.608 -1.623 193 H GLU 26 H GLU 26 1.002 -21.474 -9.195 194 HA GLU 26 HA GLU 26 -0.149 -19.318 -7.663 195 1HB GLU 26 1HB GLU 26 -1.332 -20.577 -10.131 196 2HB GLU 26 2HB GLU 26 -1.569 -18.944 -9.526 197 1HG GLU 26 1HG GLU 26 0.706 -18.364 -10.082 198 2HG GLU 26 2HG GLU 26 1.032 -20.020 -10.589 199 H GLU 27 H GLU 27 -1.917 -19.373 -6.400 200 HA GLU 27 HA GLU 27 -3.505 -21.850 -6.346 201 1HB GLU 27 1HB GLU 27 -1.788 -21.496 -4.422 202 2HB GLU 27 2HB GLU 27 -2.938 -20.301 -3.839 203 1HG GLU 27 1HG GLU 27 -4.681 -22.049 -3.805 204 2HG GLU 27 2HG GLU 27 -3.463 -23.231 -4.279 205 H CYS 28 H CYS 28 -5.277 -21.059 -7.386 206 HA CYS 28 HA CYS 28 -6.388 -18.485 -6.851 207 1HB CYS 28 1HB CYS 28 -7.809 -20.805 -8.157 208 2HB CYS 28 2HB CYS 28 -8.118 -19.086 -8.378 209 H LYS 29 H LYS 29 -6.495 -18.698 -4.496 210 HA LYS 29 HA LYS 29 -8.718 -20.352 -3.534 211 1HB LYS 29 1HB LYS 29 -6.726 -20.673 -2.255 212 2HB LYS 29 2HB LYS 29 -6.467 -18.940 -2.105 213 1HG LYS 29 1HG LYS 29 -8.020 -18.708 -0.450 214 2HG LYS 29 2HG LYS 29 -8.978 -20.083 -1.004 215 1HD LYS 29 1HD LYS 29 -8.056 -21.148 0.748 216 2HD LYS 29 2HD LYS 29 -6.646 -21.298 -0.303 217 1HE LYS 29 1HE LYS 29 -5.770 -19.187 0.637 218 2HE LYS 29 2HE LYS 29 -7.147 -19.133 1.737 219 1HZ LYS 29 1HZ LYS 29 -5.463 -21.536 1.692 220 2HZ LYS 29 2HZ LYS 29 -6.351 -20.869 2.968 221 3HZ LYS 29 3HZ LYS 29 -4.891 -20.159 2.491 222 H CYS 30 H CYS 30 -10.465 -19.485 -2.441 223 HA CYS 30 HA CYS 30 -11.466 -17.041 -3.274 224 1HB CYS 30 1HB CYS 30 -12.203 -18.357 -0.658 225 2HB CYS 30 2HB CYS 30 -13.218 -17.341 -1.677 226 H LEU 31 H LEU 31 -11.720 -15.022 -2.272 227 HA LEU 31 HA LEU 31 -9.481 -13.962 -1.014 228 1HB LEU 31 1HB LEU 31 -12.315 -12.938 -0.955 229 2HB LEU 31 2HB LEU 31 -10.883 -12.002 -0.531 230 HG LEU 31 HG LEU 31 -10.888 -13.187 -3.234 231 1HD1 LEU 31 1HD1 LEU 31 -13.110 -12.570 -3.407 232 2HD1 LEU 31 2HD1 LEU 31 -12.270 -11.124 -3.966 233 3HD1 LEU 31 3HD1 LEU 31 -12.919 -11.188 -2.328 234 1HD2 LEU 31 1HD2 LEU 31 -10.402 -10.328 -2.512 235 2HD2 LEU 31 2HD2 LEU 31 -9.656 -11.311 -3.773 236 3HD2 LEU 31 3HD2 LEU 31 -9.215 -11.561 -2.083 237 H LEU 32 H LEU 32 -9.881 -12.599 1.153 238 HA LEU 32 HA LEU 32 -10.085 -14.577 3.221 239 1HB LEU 32 1HB LEU 32 -9.413 -11.674 3.101 240 2HB LEU 32 2HB LEU 32 -9.818 -12.396 4.656 241 HG LEU 32 HG LEU 32 -7.404 -12.282 4.315 242 1HD1 LEU 32 1HD1 LEU 32 -8.522 -14.164 5.576 243 2HD1 LEU 32 2HD1 LEU 32 -6.887 -14.483 4.995 244 3HD1 LEU 32 3HD1 LEU 32 -8.274 -15.155 4.138 245 1HD2 LEU 32 1HD2 LEU 32 -7.903 -14.100 1.960 246 2HD2 LEU 32 2HD2 LEU 32 -6.324 -13.640 2.597 247 3HD2 LEU 32 3HD2 LEU 32 -7.374 -12.419 1.877 248 H ASN 33 H ASN 33 -12.360 -12.812 1.594 249 HA ASN 33 HA ASN 33 -14.174 -12.723 3.912 250 1HB ASN 33 1HB ASN 33 -14.584 -11.289 1.288 251 2HB ASN 33 2HB ASN 33 -15.413 -11.007 2.816 252 1HD2 ASN 33 1HD2 ASN 33 -12.536 -10.471 0.972 253 2HD2 ASN 33 2HD2 ASN 33 -11.832 -9.293 2.022 254 H TYR 34 H TYR 34 -13.541 -15.106 2.368 255 HA TYR 34 HA TYR 34 -16.262 -15.742 1.465 256 1HB TYR 34 1HB TYR 34 -13.687 -16.326 0.007 257 2HB TYR 34 2HB TYR 34 -15.173 -17.215 -0.312 258 HD1 TYR 34 HD1 TYR 34 -16.540 -16.462 -2.012 259 HD2 TYR 34 HD2 TYR 34 -13.963 -13.685 -0.077 260 HE1 TYR 34 HE1 TYR 34 -17.254 -14.712 -3.586 261 HE2 TYR 34 HE2 TYR 34 -14.671 -11.927 -1.645 262 HH TYR 34 HH TYR 34 -15.653 -11.671 -3.801 263 H LYS 35 H LYS 35 -16.377 -16.631 3.642 264 HA LYS 35 HA LYS 35 -14.712 -18.716 4.545 265 1HB LYS 35 1HB LYS 35 -16.646 -19.226 6.090 266 2HB LYS 35 2HB LYS 35 -16.035 -17.578 6.157 267 1HG LYS 35 1HG LYS 35 -17.962 -16.699 5.429 268 2HG LYS 35 2HG LYS 35 -18.224 -17.989 4.252 269 1HD LYS 35 1HD LYS 35 -18.623 -18.338 7.218 270 2HD LYS 35 2HD LYS 35 -19.915 -17.866 6.112 271 1HE LYS 35 1HE LYS 35 -19.799 -19.917 4.949 272 2HE LYS 35 2HE LYS 35 -18.259 -20.341 5.695 273 1HZ LYS 35 1HZ LYS 35 -19.265 -20.911 7.662 274 2HZ LYS 35 2HZ LYS 35 -20.440 -21.407 6.551 275 3HZ LYS 35 3HZ LYS 35 -20.630 -19.949 7.389 276 H GLN 36 H GLN 36 -14.415 -20.299 3.011 277 HA GLN 36 HA GLN 36 -16.275 -21.472 1.358 278 1HB GLN 36 1HB GLN 36 -13.680 -21.845 1.657 279 2HB GLN 36 2HB GLN 36 -14.206 -23.210 2.632 280 1HG GLN 36 1HG GLN 36 -15.487 -24.065 0.727 281 2HG GLN 36 2HG GLN 36 -14.921 -22.709 -0.248 282 1HE2 GLN 36 1HE2 GLN 36 -14.538 -25.462 -0.824 283 2HE2 GLN 36 2HE2 GLN 36 -12.838 -25.767 -0.812 284 H GLU 37 H GLU 37 -17.917 -22.866 1.579 285 HA GLU 37 HA GLU 37 -18.369 -24.018 4.253 286 1HB GLU 37 1HB GLU 37 -20.059 -22.363 3.571 287 2HB GLU 37 2HB GLU 37 -20.400 -23.308 2.128 288 1HG GLU 37 1HG GLU 37 -20.947 -25.215 3.760 289 2HG GLU 37 2HG GLU 37 -21.021 -23.948 4.983 290 H GLY 38 H GLY 38 -18.403 -24.636 0.792 291 1HA GLY 38 1HA GLY 38 -18.341 -27.516 1.388 292 2HA GLY 38 2HA GLY 38 -19.484 -26.910 0.199 293 H ASP 39 H ASP 39 -18.847 -26.880 -1.852 294 HA ASP 39 HA ASP 39 -15.953 -26.997 -2.402 295 1HB ASP 39 1HB ASP 39 -17.545 -29.050 -2.892 296 2HB ASP 39 2HB ASP 39 -17.936 -28.119 -4.335 297 H LYS 40 H LYS 40 -17.017 -24.538 -2.179 298 HA LYS 40 HA LYS 40 -16.478 -23.367 -4.683 299 1HB LYS 40 1HB LYS 40 -18.773 -22.349 -5.033 300 2HB LYS 40 2HB LYS 40 -18.620 -24.057 -5.427 301 1HG LYS 40 1HG LYS 40 -19.870 -24.726 -3.602 302 2HG LYS 40 2HG LYS 40 -19.579 -23.223 -2.724 303 1HD LYS 40 1HD LYS 40 -21.073 -23.131 -5.304 304 2HD LYS 40 2HD LYS 40 -21.903 -23.693 -3.852 305 1HE LYS 40 1HE LYS 40 -21.476 -21.633 -2.725 306 2HE LYS 40 2HE LYS 40 -20.395 -21.091 -4.007 307 1HZ LYS 40 1HZ LYS 40 -23.280 -21.630 -4.428 308 2HZ LYS 40 2HZ LYS 40 -22.210 -20.867 -5.493 309 3HZ LYS 40 3HZ LYS 40 -22.664 -20.099 -4.056 310 H CYS 41 H CYS 41 -16.642 -21.017 -4.635 311 HA CYS 41 HA CYS 41 -16.001 -19.988 -2.040 312 1HB CYS 41 1HB CYS 41 -16.305 -18.639 -4.729 313 2HB CYS 41 2HB CYS 41 -15.773 -17.811 -3.269 314 H VAL 42 H VAL 42 -17.127 -18.511 -0.800 315 HA VAL 42 HA VAL 42 -19.813 -17.736 -1.665 316 HB VAL 42 HB VAL 42 -20.609 -18.309 0.716 317 1HG1 VAL 42 1HG1 VAL 42 -21.748 -19.831 -0.428 318 2HG1 VAL 42 2HG1 VAL 42 -20.531 -19.792 -1.705 319 3HG1 VAL 42 3HG1 VAL 42 -20.366 -20.923 -0.362 320 1HG2 VAL 42 1HG2 VAL 42 -19.466 -20.239 1.736 321 2HG2 VAL 42 2HG2 VAL 42 -18.191 -20.105 0.525 322 3HG2 VAL 42 3HG2 VAL 42 -18.443 -18.803 1.688 323 H GLU 43 H GLU 43 -19.681 -15.585 -1.588 324 HA GLU 43 HA GLU 43 -17.972 -14.162 0.179 325 1HB GLU 43 1HB GLU 43 -18.962 -13.463 -2.130 326 2HB GLU 43 2HB GLU 43 -20.331 -12.903 -1.180 327 1HG GLU 43 1HG GLU 43 -18.923 -11.395 0.054 328 2HG GLU 43 2HG GLU 43 -17.486 -12.027 -0.747 329 H ASN 44 H ASN 44 -18.571 -14.954 2.255 330 HA ASN 44 HA ASN 44 -19.711 -14.983 4.229 331 1HB ASN 44 1HB ASN 44 -19.245 -12.436 3.631 332 2HB ASN 44 2HB ASN 44 -21.004 -12.378 3.556 333 1HD2 ASN 44 1HD2 ASN 44 -18.725 -14.101 5.658 334 2HD2 ASN 44 2HD2 ASN 44 -19.364 -13.486 7.141 335 HA PRO 45 HA PRO 45 -23.672 -16.270 2.147 336 1HB PRO 45 1HB PRO 45 -23.585 -18.835 3.031 337 2HB PRO 45 2HB PRO 45 -22.799 -18.306 1.539 338 1HG PRO 45 1HG PRO 45 -21.611 -18.754 4.250 339 2HG PRO 45 2HG PRO 45 -20.974 -19.212 2.660 340 1HD PRO 45 1HD PRO 45 -20.100 -17.032 4.007 341 2HD PRO 45 2HD PRO 45 -20.167 -17.096 2.234 342 H ASN 46 H ASN 46 -22.483 -17.395 5.321 343 HA ASN 46 HA ASN 46 -24.898 -16.317 6.562 344 1HB ASN 46 1HB ASN 46 -24.969 -18.496 7.961 345 2HB ASN 46 2HB ASN 46 -25.646 -18.522 6.335 346 1HD2 ASN 46 1HD2 ASN 46 -23.232 -19.738 8.436 347 2HD2 ASN 46 2HD2 ASN 46 -22.506 -20.845 7.326 348 HA PRO 47 HA PRO 47 -21.089 -15.288 8.942 349 1HB PRO 47 1HB PRO 47 -21.889 -12.762 9.536 350 2HB PRO 47 2HB PRO 47 -21.069 -13.180 8.027 351 1HG PRO 47 1HG PRO 47 -23.990 -12.783 8.549 352 2HG PRO 47 2HG PRO 47 -23.011 -12.221 7.181 353 1HD PRO 47 1HD PRO 47 -24.606 -14.404 7.031 354 2HD PRO 47 2HD PRO 47 -23.086 -14.268 6.124 355 H THR 48 H THR 48 -24.423 -14.307 9.744 356 HA THR 48 HA THR 48 -23.932 -14.446 12.572 357 HB THR 48 HB THR 48 -26.389 -14.067 12.780 358 HG1 THR 48 HG1 THR 48 -27.589 -14.458 11.091 359 1HG2 THR 48 1HG2 THR 48 -25.176 -12.082 12.796 360 2HG2 THR 48 2HG2 THR 48 -26.329 -11.818 11.488 361 3HG2 THR 48 3HG2 THR 48 -24.664 -12.266 11.119 362 1HN NH2 49 1HN THR 49 -25.925 -17.799 11.199 363 2HN NH2 49 2HN THR 49 -25.797 -16.381 10.213 Start of MODEL 6 1 1H ASN 1 1HT ASN 1 9.802 -5.934 -1.654 2 HA ASN 1 HA ASN 1 9.124 -4.920 -4.315 3 1HB ASN 1 1HB ASN 1 8.139 -7.543 -3.171 4 2HB ASN 1 2HB ASN 1 7.476 -6.770 -4.608 5 1HD2 ASN 1 1HD2 ASN 1 9.638 -9.006 -3.500 6 2HD2 ASN 1 2HD2 ASN 1 10.646 -9.137 -4.897 7 H ILE 2 H ILE 2 7.793 -3.273 -3.996 8 HA ILE 2 HA ILE 2 6.074 -3.238 -1.630 9 HB ILE 2 HB ILE 2 5.701 -0.871 -2.144 10 1HG1 ILE 2 1HG1 ILE 2 7.668 -0.266 -4.031 11 2HG1 ILE 2 2HG1 ILE 2 6.840 -1.670 -4.695 12 1HG2 ILE 2 1HG2 ILE 2 7.995 -0.078 -1.728 13 2HG2 ILE 2 2HG2 ILE 2 7.568 -1.460 -0.721 14 3HG2 ILE 2 3HG2 ILE 2 8.605 -1.683 -2.130 15 1HD1 ILE 2 1HD1 ILE 2 5.232 0.610 -3.659 16 2HD1 ILE 2 2HD1 ILE 2 6.011 0.735 -5.237 17 3HD1 ILE 2 3HD1 ILE 2 4.852 -0.556 -4.925 18 H SER 3 H SER 3 5.493 -4.930 -3.954 19 HA SER 3 HA SER 3 2.760 -4.021 -4.392 20 1HB SER 3 1HB SER 3 3.747 -3.113 -6.353 21 2HB SER 3 2HB SER 3 4.740 -4.548 -6.609 22 HG SER 3 HG SER 3 2.184 -4.044 -7.393 23 H GLN 4 H GLN 4 1.343 -5.711 -5.156 24 HA GLN 4 HA GLN 4 2.007 -8.255 -4.013 25 1HB GLN 4 1HB GLN 4 -0.422 -7.254 -5.498 26 2HB GLN 4 2HB GLN 4 -0.289 -8.889 -4.864 27 1HG GLN 4 1HG GLN 4 -0.344 -8.176 -2.658 28 2HG GLN 4 2HG GLN 4 0.112 -6.526 -3.079 29 1HE2 GLN 4 1HE2 GLN 4 -1.886 -6.574 -1.463 30 2HE2 GLN 4 2HE2 GLN 4 -3.407 -6.328 -2.245 31 H HIS 5 H HIS 5 1.078 -10.218 -5.463 32 HA HIS 5 HA HIS 5 2.243 -10.030 -8.148 33 1HB HIS 5 1HB HIS 5 3.216 -12.368 -7.717 34 2HB HIS 5 2HB HIS 5 4.048 -10.997 -6.990 35 HD1 HIS 5 HD1 HIS 5 5.051 -12.456 -5.120 36 HD2 HIS 5 HD2 HIS 5 0.898 -12.442 -5.205 37 HE1 HIS 5 HE1 HIS 5 4.331 -13.497 -2.947 38 H GLN 6 H GLN 6 -0.132 -9.916 -8.545 39 HA GLN 6 HA GLN 6 -1.857 -12.068 -8.014 40 1HB GLN 6 1HB GLN 6 -1.892 -9.937 -10.147 41 2HB GLN 6 2HB GLN 6 -3.178 -11.123 -9.972 42 1HG GLN 6 1HG GLN 6 -2.318 -9.101 -7.916 43 2HG GLN 6 2HG GLN 6 -3.786 -9.053 -8.891 44 1HE2 GLN 6 1HE2 GLN 6 -4.702 -11.587 -8.748 45 2HE2 GLN 6 2HE2 GLN 6 -5.100 -11.995 -7.117 46 H CYS 7 H CYS 7 -2.985 -13.051 -10.185 47 HA CYS 7 HA CYS 7 -0.900 -14.753 -11.299 48 1HB CYS 7 1HB CYS 7 -3.866 -15.001 -11.783 49 2HB CYS 7 2HB CYS 7 -2.633 -16.251 -11.918 50 H VAL 8 H VAL 8 -0.363 -14.879 -13.431 51 HA VAL 8 HA VAL 8 -1.655 -12.939 -15.238 52 HB VAL 8 HB VAL 8 1.231 -13.807 -15.392 53 1HG1 VAL 8 1HG1 VAL 8 1.280 -12.724 -17.330 54 2HG1 VAL 8 2HG1 VAL 8 -0.467 -12.503 -17.214 55 3HG1 VAL 8 3HG1 VAL 8 0.623 -11.271 -16.577 56 1HG2 VAL 8 1HG2 VAL 8 0.115 -11.251 -14.243 57 2HG2 VAL 8 2HG2 VAL 8 0.813 -12.572 -13.307 58 3HG2 VAL 8 3HG2 VAL 8 1.821 -11.657 -14.428 59 H LYS 9 H LYS 9 -0.603 -16.174 -14.727 60 HA LYS 9 HA LYS 9 -1.666 -16.916 -17.358 61 1HB LYS 9 1HB LYS 9 0.800 -18.221 -16.217 62 2HB LYS 9 2HB LYS 9 0.131 -18.399 -17.834 63 1HG LYS 9 1HG LYS 9 1.741 -16.941 -18.385 64 2HG LYS 9 2HG LYS 9 0.593 -15.740 -17.787 65 1HD LYS 9 1HD LYS 9 1.662 -15.769 -15.607 66 2HD LYS 9 2HD LYS 9 2.770 -17.034 -16.144 67 1HE LYS 9 1HE LYS 9 2.579 -14.254 -17.301 68 2HE LYS 9 2HE LYS 9 3.817 -14.813 -16.176 69 1HZ LYS 9 1HZ LYS 9 4.141 -16.628 -18.015 70 2HZ LYS 9 2HZ LYS 9 4.881 -15.113 -18.151 71 3HZ LYS 9 3HZ LYS 9 3.465 -15.442 -19.015 72 H LYS 10 H LYS 10 -2.978 -17.012 -14.869 73 HA LYS 10 HA LYS 10 -3.405 -19.902 -14.657 74 1HB LYS 10 1HB LYS 10 -1.918 -19.095 -12.782 75 2HB LYS 10 2HB LYS 10 -3.266 -18.111 -12.230 76 1HG LYS 10 1HG LYS 10 -3.241 -20.099 -10.932 77 2HG LYS 10 2HG LYS 10 -4.615 -20.202 -12.036 78 1HD LYS 10 1HD LYS 10 -3.600 -21.819 -13.350 79 2HD LYS 10 2HD LYS 10 -1.977 -21.380 -12.814 80 1HE LYS 10 1HE LYS 10 -3.827 -22.365 -10.732 81 2HE LYS 10 2HE LYS 10 -3.301 -23.546 -11.931 82 1HZ LYS 10 1HZ LYS 10 -1.824 -22.336 -9.785 83 2HZ LYS 10 2HZ LYS 10 -1.004 -22.280 -11.263 84 3HZ LYS 10 3HZ LYS 10 -1.517 -23.765 -10.637 85 H GLN 11 H GLN 11 -5.496 -20.437 -14.723 86 HA GLN 11 HA GLN 11 -7.475 -18.354 -14.922 87 1HB GLN 11 1HB GLN 11 -7.707 -21.364 -15.064 88 2HB GLN 11 2HB GLN 11 -9.041 -20.252 -15.343 89 1HG GLN 11 1HG GLN 11 -7.516 -19.223 -17.145 90 2HG GLN 11 2HG GLN 11 -6.605 -20.726 -17.009 91 1HE2 GLN 11 1HE2 GLN 11 -7.187 -21.062 -19.232 92 2HE2 GLN 11 2HE2 GLN 11 -8.736 -21.718 -19.627 93 H CYS 12 H CYS 12 -8.661 -17.578 -13.315 94 HA CYS 12 HA CYS 12 -9.297 -19.290 -11.028 95 1HB CYS 12 1HB CYS 12 -8.239 -16.478 -10.694 96 2HB CYS 12 2HB CYS 12 -8.652 -17.615 -9.415 97 HA PRO 13 HA PRO 13 -13.294 -17.503 -11.321 98 1HB PRO 13 1HB PRO 13 -14.097 -17.571 -8.729 99 2HB PRO 13 2HB PRO 13 -13.960 -19.021 -9.730 100 1HG PRO 13 1HG PRO 13 -12.047 -17.933 -7.702 101 2HG PRO 13 2HG PRO 13 -12.557 -19.609 -7.972 102 1HD PRO 13 1HD PRO 13 -10.200 -18.638 -8.885 103 2HD PRO 13 2HD PRO 13 -11.112 -19.896 -9.745 104 H GLN 14 H GLN 14 -14.707 -15.757 -10.379 105 HA GLN 14 HA GLN 14 -13.076 -13.382 -9.923 106 1HB GLN 14 1HB GLN 14 -15.216 -12.159 -10.344 107 2HB GLN 14 2HB GLN 14 -14.686 -13.167 -11.685 108 1HG GLN 14 1HG GLN 14 -16.389 -14.678 -11.405 109 2HG GLN 14 2HG GLN 14 -16.603 -14.284 -9.701 110 1HE2 GLN 14 1HE2 GLN 14 -18.307 -13.111 -9.210 111 2HE2 GLN 14 2HE2 GLN 14 -19.186 -12.088 -10.289 112 H ASN 15 H ASN 15 -14.521 -15.643 -8.045 113 HA ASN 15 HA ASN 15 -15.285 -13.717 -5.956 114 1HB ASN 15 1HB ASN 15 -16.085 -16.575 -6.468 115 2HB ASN 15 2HB ASN 15 -16.332 -15.820 -4.897 116 1HD2 ASN 15 1HD2 ASN 15 -18.515 -15.757 -4.901 117 2HD2 ASN 15 2HD2 ASN 15 -19.454 -14.835 -6.020 118 H SER 16 H SER 16 -12.564 -14.874 -6.795 119 HA SER 16 HA SER 16 -11.723 -15.567 -4.066 120 1HB SER 16 1HB SER 16 -10.695 -16.927 -6.568 121 2HB SER 16 2HB SER 16 -10.195 -17.267 -4.911 122 HG SER 16 HG SER 16 -12.860 -17.541 -5.840 123 H GLY 17 H GLY 17 -9.299 -15.354 -3.816 124 1HA GLY 17 1HA GLY 17 -8.358 -13.050 -5.412 125 2HA GLY 17 2HA GLY 17 -8.044 -13.226 -3.692 126 H CYS 18 H CYS 18 -7.600 -15.109 -6.690 127 HA CYS 18 HA CYS 18 -5.553 -16.749 -5.876 128 1HB CYS 18 1HB CYS 18 -5.197 -17.232 -8.108 129 2HB CYS 18 2HB CYS 18 -6.814 -16.537 -8.171 130 H PHE 19 H PHE 19 -3.225 -16.649 -6.562 131 HA PHE 19 HA PHE 19 -1.916 -14.196 -7.005 132 1HB PHE 19 1HB PHE 19 -1.029 -13.648 -4.875 133 2HB PHE 19 2HB PHE 19 -2.754 -13.890 -4.620 134 HD1 PHE 19 HD1 PHE 19 -3.316 -16.501 -4.117 135 HD2 PHE 19 HD2 PHE 19 0.337 -14.494 -3.253 136 HE1 PHE 19 HE1 PHE 19 -2.825 -18.156 -2.363 137 HE2 PHE 19 HE2 PHE 19 0.834 -16.146 -1.499 138 HZ PHE 19 HZ PHE 19 -0.748 -17.980 -1.052 139 H ARG 20 H ARG 20 0.273 -14.465 -7.377 140 HA ARG 20 HA ARG 20 1.137 -17.223 -7.633 141 1HB ARG 20 1HB ARG 20 1.457 -15.133 -9.277 142 2HB ARG 20 2HB ARG 20 2.945 -14.979 -8.352 143 1HG ARG 20 1HG ARG 20 3.887 -16.729 -9.362 144 2HG ARG 20 2HG ARG 20 2.419 -17.702 -9.245 145 1HD ARG 20 1HD ARG 20 1.797 -17.207 -11.337 146 2HD ARG 20 2HD ARG 20 2.190 -15.499 -11.139 147 HE ARG 20 HE ARG 20 3.781 -17.464 -12.419 148 1HH1 ARG 20 1HH1 ARG 20 3.993 -14.640 -10.394 149 2HH1 ARG 20 2HH1 ARG 20 5.576 -14.202 -10.946 150 1HH2 ARG 20 1HH2 ARG 20 5.865 -16.899 -13.154 151 2HH2 ARG 20 2HH2 ARG 20 6.640 -15.487 -12.517 152 H HIS 21 H HIS 21 2.383 -18.234 -6.210 153 HA HIS 21 HA HIS 21 3.345 -16.925 -3.872 154 1HB HIS 21 1HB HIS 21 3.358 -19.693 -4.943 155 2HB HIS 21 2HB HIS 21 4.598 -19.301 -3.755 156 HD1 HIS 21 HD1 HIS 21 3.469 -18.044 -1.509 157 HD2 HIS 21 HD2 HIS 21 1.088 -20.574 -3.788 158 HE1 HIS 21 HE1 HIS 21 1.556 -18.696 -0.013 159 H LEU 22 H LEU 22 5.621 -17.059 -3.133 160 HA LEU 22 HA LEU 22 7.344 -15.711 -4.860 161 1HB LEU 22 1HB LEU 22 8.197 -17.394 -2.516 162 2HB LEU 22 2HB LEU 22 9.038 -16.006 -3.201 163 HG LEU 22 HG LEU 22 6.469 -15.983 -1.624 164 1HD1 LEU 22 1HD1 LEU 22 7.735 -14.726 -0.008 165 2HD1 LEU 22 2HD1 LEU 22 9.156 -14.744 -1.052 166 3HD1 LEU 22 3HD1 LEU 22 8.565 -16.246 -0.341 167 1HD2 LEU 22 1HD2 LEU 22 7.898 -13.735 -3.037 168 2HD2 LEU 22 2HD2 LEU 22 6.601 -13.522 -1.861 169 3HD2 LEU 22 3HD2 LEU 22 6.282 -14.350 -3.386 170 H ASP 23 H ASP 23 6.708 -19.080 -4.519 171 HA ASP 23 HA ASP 23 9.116 -19.820 -6.002 172 1HB ASP 23 1HB ASP 23 6.955 -21.591 -4.841 173 2HB ASP 23 2HB ASP 23 8.489 -22.128 -5.520 174 H GLU 24 H GLU 24 6.830 -18.310 -7.169 175 HA GLU 24 HA GLU 24 5.626 -18.236 -9.098 176 1HB GLU 24 1HB GLU 24 7.258 -20.585 -10.043 177 2HB GLU 24 2HB GLU 24 6.543 -19.300 -11.007 178 1HG GLU 24 1HG GLU 24 8.123 -17.757 -9.641 179 2HG GLU 24 2HG GLU 24 8.998 -19.253 -9.316 180 H ARG 25 H ARG 25 4.249 -19.466 -7.176 181 HA ARG 25 HA ARG 25 2.897 -21.652 -8.606 182 1HB ARG 25 1HB ARG 25 4.108 -22.739 -6.857 183 2HB ARG 25 2HB ARG 25 3.615 -21.530 -5.679 184 1HG ARG 25 1HG ARG 25 1.417 -22.352 -5.595 185 2HG ARG 25 2HG ARG 25 1.633 -23.306 -7.064 186 1HD ARG 25 1HD ARG 25 2.825 -24.948 -5.984 187 2HD ARG 25 2HD ARG 25 3.386 -23.856 -4.719 188 HE ARG 25 HE ARG 25 0.637 -24.084 -4.431 189 1HH1 ARG 25 1HH1 ARG 25 3.436 -26.147 -4.265 190 2HH1 ARG 25 2HH1 ARG 25 2.732 -27.229 -3.109 191 1HH2 ARG 25 1HH2 ARG 25 -0.301 -25.501 -2.909 192 2HH2 ARG 25 2HH2 ARG 25 0.606 -26.861 -2.339 193 H GLU 26 H GLU 26 1.031 -20.768 -9.234 194 HA GLU 26 HA GLU 26 -0.284 -18.702 -7.746 195 1HB GLU 26 1HB GLU 26 -1.490 -20.301 -9.997 196 2HB GLU 26 2HB GLU 26 -1.884 -18.662 -9.499 197 1HG GLU 26 1HG GLU 26 -0.606 -18.116 -11.259 198 2HG GLU 26 2HG GLU 26 0.707 -18.335 -10.103 199 H GLU 27 H GLU 27 -1.977 -18.838 -6.376 200 HA GLU 27 HA GLU 27 -3.232 -21.467 -5.981 201 1HB GLU 27 1HB GLU 27 -1.408 -20.657 -4.242 202 2HB GLU 27 2HB GLU 27 -2.751 -19.712 -3.615 203 1HG GLU 27 1HG GLU 27 -3.989 -21.616 -3.067 204 2HG GLU 27 2HG GLU 27 -2.996 -22.660 -4.083 205 H CYS 28 H CYS 28 -5.058 -20.768 -7.115 206 HA CYS 28 HA CYS 28 -6.438 -18.360 -6.546 207 1HB CYS 28 1HB CYS 28 -7.641 -20.865 -7.727 208 2HB CYS 28 2HB CYS 28 -8.178 -19.204 -7.957 209 H LYS 29 H LYS 29 -6.665 -18.265 -4.288 210 HA LYS 29 HA LYS 29 -8.571 -20.191 -3.134 211 1HB LYS 29 1HB LYS 29 -7.640 -19.751 -0.987 212 2HB LYS 29 2HB LYS 29 -6.288 -20.017 -2.080 213 1HG LYS 29 1HG LYS 29 -5.950 -17.603 -2.252 214 2HG LYS 29 2HG LYS 29 -7.304 -17.338 -1.151 215 1HD LYS 29 1HD LYS 29 -6.114 -18.579 0.598 216 2HD LYS 29 2HD LYS 29 -4.757 -18.825 -0.504 217 1HE LYS 29 1HE LYS 29 -4.362 -16.970 1.059 218 2HE LYS 29 2HE LYS 29 -4.382 -16.433 -0.620 219 1HZ LYS 29 1HZ LYS 29 -5.735 -15.217 1.297 220 2HZ LYS 29 2HZ LYS 29 -6.916 -16.325 0.809 221 3HZ LYS 29 3HZ LYS 29 -6.258 -15.243 -0.312 222 H CYS 30 H CYS 30 -10.354 -19.455 -1.996 223 HA CYS 30 HA CYS 30 -11.601 -17.134 -2.893 224 1HB CYS 30 1HB CYS 30 -12.201 -18.461 -0.250 225 2HB CYS 30 2HB CYS 30 -13.312 -17.581 -1.294 226 H LEU 31 H LEU 31 -12.008 -15.125 -1.944 227 HA LEU 31 HA LEU 31 -9.873 -13.860 -0.692 228 1HB LEU 31 1HB LEU 31 -12.780 -13.063 -0.669 229 2HB LEU 31 2HB LEU 31 -11.426 -12.007 -0.272 230 HG LEU 31 HG LEU 31 -11.328 -13.261 -2.940 231 1HD1 LEU 31 1HD1 LEU 31 -13.522 -11.413 -2.095 232 2HD1 LEU 31 2HD1 LEU 31 -13.595 -12.839 -3.129 233 3HD1 LEU 31 3HD1 LEU 31 -12.877 -11.347 -3.735 234 1HD2 LEU 31 1HD2 LEU 31 -11.057 -10.366 -2.196 235 2HD2 LEU 31 2HD2 LEU 31 -10.336 -11.233 -3.552 236 3HD2 LEU 31 3HD2 LEU 31 -9.756 -11.523 -1.912 237 H LEU 32 H LEU 32 -10.407 -12.487 1.441 238 HA LEU 32 HA LEU 32 -10.461 -14.427 3.551 239 1HB LEU 32 1HB LEU 32 -10.233 -11.429 3.514 240 2HB LEU 32 2HB LEU 32 -10.256 -12.366 5.007 241 HG LEU 32 HG LEU 32 -8.217 -12.917 2.878 242 1HD1 LEU 32 1HD1 LEU 32 -6.832 -11.230 3.535 243 2HD1 LEU 32 2HD1 LEU 32 -7.553 -11.109 5.140 244 3HD1 LEU 32 3HD1 LEU 32 -8.389 -10.429 3.744 245 1HD2 LEU 32 1HD2 LEU 32 -7.486 -14.397 4.359 246 2HD2 LEU 32 2HD2 LEU 32 -8.847 -14.000 5.408 247 3HD2 LEU 32 3HD2 LEU 32 -7.319 -13.134 5.578 248 H ASN 33 H ASN 33 -12.866 -12.895 1.867 249 HA ASN 33 HA ASN 33 -14.707 -12.923 4.165 250 1HB ASN 33 1HB ASN 33 -14.992 -11.513 1.501 251 2HB ASN 33 2HB ASN 33 -16.167 -11.466 2.812 252 1HD2 ASN 33 1HD2 ASN 33 -13.199 -10.253 1.594 253 2HD2 ASN 33 2HD2 ASN 33 -12.911 -9.087 2.836 254 H TYR 34 H TYR 34 -13.841 -15.276 2.686 255 HA TYR 34 HA TYR 34 -16.485 -16.189 1.796 256 1HB TYR 34 1HB TYR 34 -13.867 -16.557 0.342 257 2HB TYR 34 2HB TYR 34 -15.269 -17.578 0.040 258 HD1 TYR 34 HD1 TYR 34 -16.728 -16.968 -1.646 259 HD2 TYR 34 HD2 TYR 34 -14.344 -13.961 0.191 260 HE1 TYR 34 HE1 TYR 34 -17.594 -15.313 -3.246 261 HE2 TYR 34 HE2 TYR 34 -15.204 -12.297 -1.404 262 HH TYR 34 HH TYR 34 -16.408 -11.975 -3.257 263 H LYS 35 H LYS 35 -16.936 -17.458 3.517 264 HA LYS 35 HA LYS 35 -14.980 -19.142 4.763 265 1HB LYS 35 1HB LYS 35 -17.969 -19.364 5.080 266 2HB LYS 35 2HB LYS 35 -16.720 -19.821 6.230 267 1HG LYS 35 1HG LYS 35 -16.119 -17.408 6.423 268 2HG LYS 35 2HG LYS 35 -17.527 -17.037 5.425 269 1HD LYS 35 1HD LYS 35 -18.110 -16.779 7.752 270 2HD LYS 35 2HD LYS 35 -18.957 -18.181 7.094 271 1HE LYS 35 1HE LYS 35 -17.539 -19.691 8.195 272 2HE LYS 35 2HE LYS 35 -16.327 -18.452 8.515 273 1HZ LYS 35 1HZ LYS 35 -18.400 -17.432 9.812 274 2HZ LYS 35 2HZ LYS 35 -17.290 -18.483 10.536 275 3HZ LYS 35 3HZ LYS 35 -18.767 -19.077 9.965 276 H GLN 36 H GLN 36 -14.173 -20.603 3.301 277 HA GLN 36 HA GLN 36 -15.515 -22.029 1.366 278 1HB GLN 36 1HB GLN 36 -12.982 -21.941 1.993 279 2HB GLN 36 2HB GLN 36 -13.357 -23.354 2.970 280 1HG GLN 36 1HG GLN 36 -14.247 -24.459 0.938 281 2HG GLN 36 2HG GLN 36 -13.708 -23.070 -0.004 282 1HE2 GLN 36 1HE2 GLN 36 -12.756 -25.417 -0.761 283 2HE2 GLN 36 2HE2 GLN 36 -11.103 -25.615 -0.300 284 H GLU 37 H GLU 37 -17.289 -23.217 1.571 285 HA GLU 37 HA GLU 37 -17.887 -24.580 4.059 286 1HB GLU 37 1HB GLU 37 -19.716 -23.442 2.993 287 2HB GLU 37 2HB GLU 37 -19.421 -24.279 1.476 288 1HG GLU 37 1HG GLU 37 -20.126 -26.366 2.423 289 2HG GLU 37 2HG GLU 37 -20.269 -25.638 4.022 290 H GLY 38 H GLY 38 -17.628 -25.527 0.626 291 1HA GLY 38 1HA GLY 38 -16.619 -28.142 1.528 292 2HA GLY 38 2HA GLY 38 -17.942 -28.072 0.374 293 H ASP 39 H ASP 39 -17.541 -27.474 -1.753 294 HA ASP 39 HA ASP 39 -14.696 -27.223 -2.478 295 1HB ASP 39 1HB ASP 39 -15.094 -28.579 -4.449 296 2HB ASP 39 2HB ASP 39 -15.604 -29.470 -3.018 297 H LYS 40 H LYS 40 -16.282 -25.002 -2.029 298 HA LYS 40 HA LYS 40 -16.046 -23.654 -4.536 299 1HB LYS 40 1HB LYS 40 -18.479 -22.904 -4.544 300 2HB LYS 40 2HB LYS 40 -18.162 -24.548 -5.083 301 1HG LYS 40 1HG LYS 40 -19.065 -25.488 -3.164 302 2HG LYS 40 2HG LYS 40 -18.901 -23.994 -2.238 303 1HD LYS 40 1HD LYS 40 -20.693 -24.102 -4.634 304 2HD LYS 40 2HD LYS 40 -21.247 -24.724 -3.078 305 1HE LYS 40 1HE LYS 40 -21.949 -22.571 -2.866 306 2HE LYS 40 2HE LYS 40 -20.310 -22.382 -2.246 307 1HZ LYS 40 1HZ LYS 40 -20.738 -22.054 -5.123 308 2HZ LYS 40 2HZ LYS 40 -19.634 -21.281 -4.101 309 3HZ LYS 40 3HZ LYS 40 -21.258 -20.810 -4.101 310 H CYS 41 H CYS 41 -16.714 -21.329 -4.340 311 HA CYS 41 HA CYS 41 -15.999 -20.377 -1.673 312 1HB CYS 41 1HB CYS 41 -16.164 -18.931 -4.325 313 2HB CYS 41 2HB CYS 41 -15.666 -18.190 -2.807 314 H VAL 42 H VAL 42 -17.236 -18.937 -0.494 315 HA VAL 42 HA VAL 42 -19.880 -18.225 -1.536 316 HB VAL 42 HB VAL 42 -20.804 -18.797 0.794 317 1HG1 VAL 42 1HG1 VAL 42 -21.813 -20.277 -0.526 318 2HG1 VAL 42 2HG1 VAL 42 -20.391 -20.416 -1.562 319 3HG1 VAL 42 3HG1 VAL 42 -20.530 -21.414 -0.114 320 1HG2 VAL 42 1HG2 VAL 42 -18.704 -19.199 1.923 321 2HG2 VAL 42 2HG2 VAL 42 -19.661 -20.681 1.910 322 3HG2 VAL 42 3HG2 VAL 42 -18.310 -20.494 0.793 323 H GLU 43 H GLU 43 -19.894 -16.078 -1.442 324 HA GLU 43 HA GLU 43 -18.290 -14.557 0.335 325 1HB GLU 43 1HB GLU 43 -19.286 -13.907 -1.973 326 2HB GLU 43 2HB GLU 43 -20.716 -13.460 -1.053 327 1HG GLU 43 1HG GLU 43 -19.333 -11.929 0.296 328 2HG GLU 43 2HG GLU 43 -17.946 -12.335 -0.713 329 H ASN 44 H ASN 44 -18.807 -15.290 2.427 330 HA ASN 44 HA ASN 44 -19.926 -15.354 4.412 331 1HB ASN 44 1HB ASN 44 -19.627 -12.966 4.331 332 2HB ASN 44 2HB ASN 44 -21.008 -12.780 3.255 333 1HD2 ASN 44 1HD2 ASN 44 -20.621 -14.699 6.200 334 2HD2 ASN 44 2HD2 ASN 44 -21.901 -13.935 7.074 335 HA PRO 45 HA PRO 45 -23.705 -17.213 2.470 336 1HB PRO 45 1HB PRO 45 -23.378 -19.648 3.625 337 2HB PRO 45 2HB PRO 45 -22.612 -19.199 2.096 338 1HG PRO 45 1HG PRO 45 -21.455 -19.233 4.857 339 2HG PRO 45 2HG PRO 45 -20.733 -19.786 3.335 340 1HD PRO 45 1HD PRO 45 -20.123 -17.397 4.453 341 2HD PRO 45 2HD PRO 45 -20.137 -17.653 2.696 342 H ASN 46 H ASN 46 -22.484 -16.775 5.666 343 HA ASN 46 HA ASN 46 -25.202 -17.116 6.753 344 1HB ASN 46 1HB ASN 46 -23.427 -18.739 7.583 345 2HB ASN 46 2HB ASN 46 -22.655 -17.357 8.355 346 1HD2 ASN 46 1HD2 ASN 46 -25.757 -19.041 8.132 347 2HD2 ASN 46 2HD2 ASN 46 -26.225 -18.759 9.771 348 HA PRO 47 HA PRO 47 -23.905 -12.654 7.130 349 1HB PRO 47 1HB PRO 47 -26.219 -11.641 6.135 350 2HB PRO 47 2HB PRO 47 -24.852 -12.101 5.112 351 1HG PRO 47 1HG PRO 47 -27.358 -13.622 5.722 352 2HG PRO 47 2HG PRO 47 -26.524 -13.416 4.171 353 1HD PRO 47 1HD PRO 47 -26.280 -15.658 5.670 354 2HD PRO 47 2HD PRO 47 -24.963 -15.042 4.651 355 H THR 48 H THR 48 -27.175 -13.989 7.639 356 HA THR 48 HA THR 48 -27.287 -12.514 10.189 357 HB THR 48 HB THR 48 -29.794 -12.805 9.983 358 HG1 THR 48 HG1 THR 48 -30.188 -14.245 8.429 359 1HG2 THR 48 1HG2 THR 48 -29.896 -10.732 9.122 360 2HG2 THR 48 2HG2 THR 48 -29.119 -11.220 7.616 361 3HG2 THR 48 3HG2 THR 48 -28.139 -10.842 9.032 362 1HN NH2 49 1HN THR 49 -28.652 -15.303 12.027 363 2HN NH2 49 2HN THR 49 -28.844 -13.595 11.814 Start of MODEL 7 1 1H ASN 1 1HT ASN 1 10.456 -0.751 -1.063 2 HA ASN 1 HA ASN 1 10.633 -2.709 -3.199 3 1HB ASN 1 1HB ASN 1 11.119 -2.740 -0.245 4 2HB ASN 1 2HB ASN 1 10.852 -4.263 -1.088 5 1HD2 ASN 1 1HD2 ASN 1 13.128 -2.070 -0.120 6 2HD2 ASN 1 2HD2 ASN 1 14.423 -2.533 -1.165 7 H ILE 2 H ILE 2 8.097 -1.302 -2.642 8 HA ILE 2 HA ILE 2 6.368 -3.353 -1.530 9 HB ILE 2 HB ILE 2 5.900 -1.000 -1.023 10 1HG1 ILE 2 1HG1 ILE 2 3.480 -1.011 -1.674 11 2HG1 ILE 2 2HG1 ILE 2 3.812 -2.394 -2.710 12 1HG2 ILE 2 1HG2 ILE 2 4.721 -0.209 -3.513 13 2HG2 ILE 2 2HG2 ILE 2 5.972 0.594 -2.566 14 3HG2 ILE 2 3HG2 ILE 2 6.417 -0.628 -3.757 15 1HD1 ILE 2 1HD1 ILE 2 4.523 -3.672 -0.741 16 2HD1 ILE 2 2HD1 ILE 2 4.125 -2.289 0.280 17 3HD1 ILE 2 3HD1 ILE 2 2.853 -3.117 -0.620 18 H SER 3 H SER 3 4.983 -4.634 -2.653 19 HA SER 3 HA SER 3 4.249 -4.220 -5.358 20 1HB SER 3 1HB SER 3 6.685 -4.939 -5.563 21 2HB SER 3 2HB SER 3 6.170 -6.518 -4.969 22 HG SER 3 HG SER 3 4.941 -6.800 -6.768 23 H GLN 4 H GLN 4 2.817 -5.852 -6.153 24 HA GLN 4 HA GLN 4 1.963 -7.829 -4.153 25 1HB GLN 4 1HB GLN 4 -0.411 -7.328 -4.835 26 2HB GLN 4 2HB GLN 4 0.385 -6.063 -3.908 27 1HG GLN 4 1HG GLN 4 0.934 -5.010 -6.174 28 2HG GLN 4 2HG GLN 4 -0.276 -6.113 -6.828 29 1HE2 GLN 4 1HE2 GLN 4 -1.354 -4.117 -7.442 30 2HE2 GLN 4 2HE2 GLN 4 -2.364 -3.319 -6.290 31 H HIS 5 H HIS 5 2.939 -9.486 -5.324 32 HA HIS 5 HA HIS 5 2.824 -9.956 -8.041 33 1HB HIS 5 1HB HIS 5 3.011 -12.417 -7.385 34 2HB HIS 5 2HB HIS 5 4.254 -11.336 -6.760 35 HD1 HIS 5 HD1 HIS 5 4.720 -12.976 -4.801 36 HD2 HIS 5 HD2 HIS 5 0.861 -11.439 -4.871 37 HE1 HIS 5 HE1 HIS 5 3.738 -13.523 -2.552 38 H GLN 6 H GLN 6 1.603 -11.814 -9.100 39 HA GLN 6 HA GLN 6 -0.981 -12.507 -8.147 40 1HB GLN 6 1HB GLN 6 -0.982 -9.981 -9.080 41 2HB GLN 6 2HB GLN 6 -1.264 -10.845 -10.585 42 1HG GLN 6 1HG GLN 6 -3.311 -11.629 -9.917 43 2HG GLN 6 2HG GLN 6 -2.912 -11.525 -8.203 44 1HE2 GLN 6 1HE2 GLN 6 -4.757 -10.218 -10.550 45 2HE2 GLN 6 2HE2 GLN 6 -5.002 -8.637 -9.897 46 H CYS 7 H CYS 7 -2.344 -13.307 -10.208 47 HA CYS 7 HA CYS 7 -0.639 -15.285 -11.453 48 1HB CYS 7 1HB CYS 7 -3.593 -14.915 -11.931 49 2HB CYS 7 2HB CYS 7 -2.638 -16.383 -12.111 50 H VAL 8 H VAL 8 0.114 -15.246 -13.474 51 HA VAL 8 HA VAL 8 -0.843 -13.104 -15.257 52 HB VAL 8 HB VAL 8 1.509 -12.859 -14.640 53 1HG1 VAL 8 1HG1 VAL 8 2.604 -15.065 -16.126 54 2HG1 VAL 8 2HG1 VAL 8 2.904 -14.580 -14.456 55 3HG1 VAL 8 3HG1 VAL 8 1.554 -15.650 -14.836 56 1HG2 VAL 8 1HG2 VAL 8 2.188 -12.247 -16.722 57 2HG2 VAL 8 2HG2 VAL 8 1.706 -13.778 -17.453 58 3HG2 VAL 8 3HG2 VAL 8 0.490 -12.556 -17.082 59 H LYS 9 H LYS 9 -0.517 -16.491 -14.855 60 HA LYS 9 HA LYS 9 -1.655 -16.910 -17.520 61 1HB LYS 9 1HB LYS 9 0.612 -18.582 -16.422 62 2HB LYS 9 2HB LYS 9 -0.181 -18.784 -17.979 63 1HG LYS 9 1HG LYS 9 1.249 -16.252 -17.246 64 2HG LYS 9 2HG LYS 9 2.087 -17.634 -17.954 65 1HD LYS 9 1HD LYS 9 0.970 -17.441 -19.973 66 2HD LYS 9 2HD LYS 9 -0.380 -16.557 -19.257 67 1HE LYS 9 1HE LYS 9 0.814 -14.558 -19.180 68 2HE LYS 9 2HE LYS 9 2.371 -15.372 -19.321 69 1HZ LYS 9 1HZ LYS 9 1.296 -14.145 -21.350 70 2HZ LYS 9 2HZ LYS 9 0.474 -15.611 -21.540 71 3HZ LYS 9 3HZ LYS 9 2.165 -15.581 -21.566 72 H LYS 10 H LYS 10 -3.194 -16.875 -15.328 73 HA LYS 10 HA LYS 10 -3.921 -19.696 -15.024 74 1HB LYS 10 1HB LYS 10 -2.606 -18.618 -13.009 75 2HB LYS 10 2HB LYS 10 -4.171 -17.901 -12.645 76 1HG LYS 10 1HG LYS 10 -3.906 -19.923 -11.380 77 2HG LYS 10 2HG LYS 10 -5.158 -20.163 -12.601 78 1HD LYS 10 1HD LYS 10 -3.897 -21.641 -13.800 79 2HD LYS 10 2HD LYS 10 -2.371 -20.891 -13.324 80 1HE LYS 10 1HE LYS 10 -2.431 -21.927 -11.190 81 2HE LYS 10 2HE LYS 10 -4.101 -22.445 -11.413 82 1HZ LYS 10 1HZ LYS 10 -1.819 -23.883 -11.992 83 2HZ LYS 10 2HZ LYS 10 -2.462 -23.448 -13.494 84 3HZ LYS 10 3HZ LYS 10 -3.412 -24.298 -12.383 85 H GLN 11 H GLN 11 -6.128 -20.081 -14.718 86 HA GLN 11 HA GLN 11 -7.842 -17.965 -15.696 87 1HB GLN 11 1HB GLN 11 -8.249 -20.890 -15.122 88 2HB GLN 11 2HB GLN 11 -9.603 -19.832 -15.496 89 1HG GLN 11 1HG GLN 11 -8.199 -19.199 -17.582 90 2HG GLN 11 2HG GLN 11 -7.346 -20.703 -17.242 91 1HE2 GLN 11 1HE2 GLN 11 -9.044 -19.957 -19.505 92 2HE2 GLN 11 2HE2 GLN 11 -10.300 -21.142 -19.565 93 H CYS 12 H CYS 12 -8.488 -20.324 -13.117 94 HA CYS 12 HA CYS 12 -9.394 -20.106 -11.042 95 1HB CYS 12 1HB CYS 12 -8.546 -17.210 -11.131 96 2HB CYS 12 2HB CYS 12 -8.804 -18.213 -9.707 97 HA PRO 13 HA PRO 13 -13.481 -18.607 -11.598 98 1HB PRO 13 1HB PRO 13 -14.287 -18.296 -9.025 99 2HB PRO 13 2HB PRO 13 -14.069 -19.880 -9.779 100 1HG PRO 13 1HG PRO 13 -12.224 -18.376 -7.964 101 2HG PRO 13 2HG PRO 13 -12.642 -20.099 -7.956 102 1HD PRO 13 1HD PRO 13 -10.338 -19.164 -9.028 103 2HD PRO 13 2HD PRO 13 -11.178 -20.591 -9.667 104 H GLN 14 H GLN 14 -15.011 -16.824 -10.789 105 HA GLN 14 HA GLN 14 -13.503 -14.315 -10.777 106 1HB GLN 14 1HB GLN 14 -15.650 -15.116 -12.281 107 2HB GLN 14 2HB GLN 14 -16.424 -14.162 -11.023 108 1HG GLN 14 1HG GLN 14 -14.574 -12.419 -11.611 109 2HG GLN 14 2HG GLN 14 -14.494 -13.317 -13.127 110 1HE2 GLN 14 1HE2 GLN 14 -17.136 -12.314 -10.978 111 2HE2 GLN 14 2HE2 GLN 14 -18.066 -11.532 -12.206 112 H ASN 15 H ASN 15 -14.801 -16.330 -8.561 113 HA ASN 15 HA ASN 15 -15.652 -14.138 -6.787 114 1HB ASN 15 1HB ASN 15 -16.447 -17.033 -6.940 115 2HB ASN 15 2HB ASN 15 -16.652 -16.126 -5.444 116 1HD2 ASN 15 1HD2 ASN 15 -18.831 -16.050 -5.391 117 2HD2 ASN 15 2HD2 ASN 15 -19.801 -15.243 -6.571 118 H SER 16 H SER 16 -12.900 -15.225 -7.409 119 HA SER 16 HA SER 16 -12.089 -15.608 -4.613 120 1HB SER 16 1HB SER 16 -10.962 -17.185 -6.940 121 2HB SER 16 2HB SER 16 -10.471 -17.319 -5.251 122 HG SER 16 HG SER 16 -11.974 -18.948 -5.895 123 H GLY 17 H GLY 17 -9.552 -15.458 -4.528 124 1HA GLY 17 1HA GLY 17 -8.692 -13.274 -6.320 125 2HA GLY 17 2HA GLY 17 -8.456 -13.172 -4.581 126 H CYS 18 H CYS 18 -7.739 -15.340 -7.316 127 HA CYS 18 HA CYS 18 -5.742 -16.857 -6.209 128 1HB CYS 18 1HB CYS 18 -5.102 -17.431 -8.377 129 2HB CYS 18 2HB CYS 18 -6.769 -16.907 -8.591 130 H PHE 19 H PHE 19 -3.367 -16.747 -6.630 131 HA PHE 19 HA PHE 19 -2.057 -14.306 -7.144 132 1HB PHE 19 1HB PHE 19 -1.399 -13.574 -4.980 133 2HB PHE 19 2HB PHE 19 -3.142 -13.810 -4.903 134 HD1 PHE 19 HD1 PHE 19 -3.765 -16.369 -4.243 135 HD2 PHE 19 HD2 PHE 19 -0.223 -14.275 -3.153 136 HE1 PHE 19 HE1 PHE 19 -3.478 -17.866 -2.311 137 HE2 PHE 19 HE2 PHE 19 0.071 -15.770 -1.221 138 HZ PHE 19 HZ PHE 19 -1.558 -17.568 -0.798 139 H ARG 20 H ARG 20 0.175 -14.537 -7.221 140 HA ARG 20 HA ARG 20 1.107 -17.265 -7.292 141 1HB ARG 20 1HB ARG 20 1.693 -15.291 -8.898 142 2HB ARG 20 2HB ARG 20 2.885 -14.882 -7.671 143 1HG ARG 20 1HG ARG 20 4.243 -16.260 -8.770 144 2HG ARG 20 2HG ARG 20 3.306 -17.564 -8.038 145 1HD ARG 20 1HD ARG 20 2.594 -18.212 -10.038 146 2HD ARG 20 2HD ARG 20 1.919 -16.611 -10.340 147 HE ARG 20 HE ARG 20 4.330 -17.691 -11.424 148 1HH1 ARG 20 1HH1 ARG 20 2.765 -14.744 -10.431 149 2HH1 ARG 20 2HH1 ARG 20 3.699 -13.738 -11.488 150 1HH2 ARG 20 1HH2 ARG 20 5.566 -16.377 -12.820 151 2HH2 ARG 20 2HH2 ARG 20 5.292 -14.668 -12.847 152 H HIS 21 H HIS 21 1.900 -18.288 -5.587 153 HA HIS 21 HA HIS 21 2.427 -17.099 -3.110 154 1HB HIS 21 1HB HIS 21 2.999 -19.770 -4.321 155 2HB HIS 21 2HB HIS 21 3.774 -19.354 -2.796 156 HD1 HIS 21 HD1 HIS 21 1.903 -18.431 -0.927 157 HD2 HIS 21 HD2 HIS 21 0.598 -20.946 -3.966 158 HE1 HIS 21 HE1 HIS 21 -0.277 -19.389 -0.117 159 H LEU 22 H LEU 22 4.715 -17.709 -2.034 160 HA LEU 22 HA LEU 22 6.593 -15.957 -3.337 161 1HB LEU 22 1HB LEU 22 6.485 -17.392 -0.720 162 2HB LEU 22 2HB LEU 22 8.012 -16.718 -1.284 163 HG LEU 22 HG LEU 22 6.933 -15.197 0.260 164 1HD1 LEU 22 1HD1 LEU 22 8.205 -14.367 -1.760 165 2HD1 LEU 22 2HD1 LEU 22 7.097 -13.218 -1.011 166 3HD1 LEU 22 3HD1 LEU 22 6.637 -14.044 -2.500 167 1HD2 LEU 22 1HD2 LEU 22 4.785 -14.159 -0.273 168 2HD2 LEU 22 2HD2 LEU 22 4.623 -15.904 -0.072 169 3HD2 LEU 22 3HD2 LEU 22 4.631 -15.199 -1.689 170 H ASP 23 H ASP 23 5.878 -19.131 -3.750 171 HA ASP 23 HA ASP 23 8.639 -19.773 -4.558 172 1HB ASP 23 1HB ASP 23 6.535 -21.520 -3.301 173 2HB ASP 23 2HB ASP 23 7.857 -22.211 -4.238 174 H GLU 24 H GLU 24 6.756 -18.436 -6.197 175 HA GLU 24 HA GLU 24 5.772 -18.513 -8.252 176 1HB GLU 24 1HB GLU 24 7.511 -20.914 -8.784 177 2HB GLU 24 2HB GLU 24 6.956 -19.698 -9.927 178 1HG GLU 24 1HG GLU 24 8.346 -18.026 -8.698 179 2HG GLU 24 2HG GLU 24 9.007 -19.361 -7.756 180 H ARG 25 H ARG 25 3.967 -19.440 -6.706 181 HA ARG 25 HA ARG 25 2.820 -21.704 -8.139 182 1HB ARG 25 1HB ARG 25 3.962 -22.706 -6.203 183 2HB ARG 25 2HB ARG 25 3.066 -21.644 -5.126 184 1HG ARG 25 1HG ARG 25 1.276 -22.966 -5.141 185 2HG ARG 25 2HG ARG 25 1.334 -23.168 -6.893 186 1HD ARG 25 1HD ARG 25 1.663 -25.320 -5.979 187 2HD ARG 25 2HD ARG 25 3.250 -24.771 -6.516 188 HE ARG 25 HE ARG 25 3.166 -24.032 -3.907 189 1HH1 ARG 25 1HH1 ARG 25 2.633 -27.035 -5.586 190 2HH1 ARG 25 2HH1 ARG 25 3.179 -28.019 -4.269 191 1HH2 ARG 25 1HH2 ARG 25 3.887 -25.317 -2.166 192 2HH2 ARG 25 2HH2 ARG 25 3.891 -27.041 -2.324 193 H GLU 26 H GLU 26 1.076 -20.698 -8.941 194 HA GLU 26 HA GLU 26 -0.333 -18.641 -7.561 195 1HB GLU 26 1HB GLU 26 -1.341 -20.250 -9.906 196 2HB GLU 26 2HB GLU 26 -1.831 -18.631 -9.427 197 1HG GLU 26 1HG GLU 26 0.278 -17.723 -10.070 198 2HG GLU 26 2HG GLU 26 0.947 -19.332 -10.338 199 H GLU 27 H GLU 27 -2.038 -18.753 -6.230 200 HA GLU 27 HA GLU 27 -3.369 -21.362 -5.906 201 1HB GLU 27 1HB GLU 27 -1.764 -20.673 -4.037 202 2HB GLU 27 2HB GLU 27 -2.928 -19.413 -3.651 203 1HG GLU 27 1HG GLU 27 -3.345 -21.236 -2.200 204 2HG GLU 27 2HG GLU 27 -4.652 -21.196 -3.381 205 H CYS 28 H CYS 28 -5.225 -20.960 -7.004 206 HA CYS 28 HA CYS 28 -6.635 -18.481 -6.836 207 1HB CYS 28 1HB CYS 28 -7.722 -21.127 -7.806 208 2HB CYS 28 2HB CYS 28 -8.289 -19.515 -8.231 209 H LYS 29 H LYS 29 -6.712 -18.403 -4.459 210 HA LYS 29 HA LYS 29 -8.761 -20.138 -3.277 211 1HB LYS 29 1HB LYS 29 -7.917 -19.487 -1.133 212 2HB LYS 29 2HB LYS 29 -6.539 -19.905 -2.143 213 1HG LYS 29 1HG LYS 29 -6.185 -17.495 -2.581 214 2HG LYS 29 2HG LYS 29 -7.494 -17.134 -1.453 215 1HD LYS 29 1HD LYS 29 -5.287 -18.896 -0.521 216 2HD LYS 29 2HD LYS 29 -4.958 -17.170 -0.687 217 1HE LYS 29 1HE LYS 29 -5.672 -17.407 1.525 218 2HE LYS 29 2HE LYS 29 -7.100 -16.824 0.672 219 1HZ LYS 29 1HZ LYS 29 -6.827 -19.704 0.791 220 2HZ LYS 29 2HZ LYS 29 -8.193 -18.735 1.026 221 3HZ LYS 29 3HZ LYS 29 -7.085 -18.953 2.285 222 H CYS 30 H CYS 30 -10.571 -19.305 -2.239 223 HA CYS 30 HA CYS 30 -11.829 -17.114 -3.375 224 1HB CYS 30 1HB CYS 30 -12.395 -18.115 -0.584 225 2HB CYS 30 2HB CYS 30 -13.521 -17.364 -1.709 226 H LEU 31 H LEU 31 -12.266 -15.009 -2.664 227 HA LEU 31 HA LEU 31 -10.133 -13.569 -1.618 228 1HB LEU 31 1HB LEU 31 -13.054 -12.821 -1.622 229 2HB LEU 31 2HB LEU 31 -11.710 -11.704 -1.389 230 HG LEU 31 HG LEU 31 -11.673 -13.278 -3.890 231 1HD1 LEU 31 1HD1 LEU 31 -13.935 -12.864 -4.083 232 2HD1 LEU 31 2HD1 LEU 31 -13.234 -11.442 -4.854 233 3HD1 LEU 31 3HD1 LEU 31 -13.840 -11.339 -3.201 234 1HD2 LEU 31 1HD2 LEU 31 -10.105 -11.380 -3.052 235 2HD2 LEU 31 2HD2 LEU 31 -11.398 -10.315 -3.603 236 3HD2 LEU 31 3HD2 LEU 31 -10.613 -11.411 -4.741 237 H LEU 32 H LEU 32 -10.636 -11.964 0.348 238 HA LEU 32 HA LEU 32 -10.625 -13.640 2.675 239 1HB LEU 32 1HB LEU 32 -9.232 -11.548 2.272 240 2HB LEU 32 2HB LEU 32 -10.693 -10.636 2.646 241 HG LEU 32 HG LEU 32 -10.648 -12.026 4.859 242 1HD1 LEU 32 1HD1 LEU 32 -8.222 -12.853 3.600 243 2HD1 LEU 32 2HD1 LEU 32 -8.910 -13.369 5.139 244 3HD1 LEU 32 3HD1 LEU 32 -7.843 -11.966 5.077 245 1HD2 LEU 32 1HD2 LEU 32 -9.797 -10.178 5.902 246 2HD2 LEU 32 2HD2 LEU 32 -10.142 -9.499 4.311 247 3HD2 LEU 32 3HD2 LEU 32 -8.495 -9.976 4.728 248 H ASN 33 H ASN 33 -13.079 -12.340 0.875 249 HA ASN 33 HA ASN 33 -14.867 -12.084 3.200 250 1HB ASN 33 1HB ASN 33 -15.361 -11.100 0.383 251 2HB ASN 33 2HB ASN 33 -16.330 -10.753 1.812 252 1HD2 ASN 33 1HD2 ASN 33 -13.287 -10.168 0.202 253 2HD2 ASN 33 2HD2 ASN 33 -12.879 -8.734 1.076 254 H TYR 34 H TYR 34 -13.984 -14.593 1.943 255 HA TYR 34 HA TYR 34 -16.646 -15.644 1.276 256 1HB TYR 34 1HB TYR 34 -14.058 -16.180 -0.181 257 2HB TYR 34 2HB TYR 34 -15.462 -17.232 -0.321 258 HD1 TYR 34 HD1 TYR 34 -16.901 -16.861 -2.084 259 HD2 TYR 34 HD2 TYR 34 -14.607 -13.601 -0.597 260 HE1 TYR 34 HE1 TYR 34 -17.808 -15.421 -3.860 261 HE2 TYR 34 HE2 TYR 34 -15.508 -12.152 -2.368 262 HH TYR 34 HH TYR 34 -17.346 -12.004 -3.869 263 H LYS 35 H LYS 35 -17.172 -16.971 2.874 264 HA LYS 35 HA LYS 35 -15.081 -18.492 4.245 265 1HB LYS 35 1HB LYS 35 -16.945 -19.016 5.867 266 2HB LYS 35 2HB LYS 35 -16.489 -17.321 5.761 267 1HG LYS 35 1HG LYS 35 -18.485 -16.697 4.933 268 2HG LYS 35 2HG LYS 35 -18.663 -18.163 3.966 269 1HD LYS 35 1HD LYS 35 -20.298 -18.530 5.521 270 2HD LYS 35 2HD LYS 35 -18.930 -19.274 6.353 271 1HE LYS 35 1HE LYS 35 -19.585 -16.379 6.760 272 2HE LYS 35 2HE LYS 35 -20.452 -17.630 7.648 273 1HZ LYS 35 1HZ LYS 35 -17.609 -16.883 7.800 274 2HZ LYS 35 2HZ LYS 35 -18.085 -18.453 8.212 275 3HZ LYS 35 3HZ LYS 35 -18.718 -17.130 9.053 276 H GLN 36 H GLN 36 -14.701 -20.088 2.678 277 HA GLN 36 HA GLN 36 -16.526 -21.606 1.296 278 1HB GLN 36 1HB GLN 36 -14.097 -21.738 0.955 279 2HB GLN 36 2HB GLN 36 -13.922 -22.559 2.500 280 1HG GLN 36 1HG GLN 36 -15.676 -24.206 1.356 281 2HG GLN 36 2HG GLN 36 -14.897 -23.579 -0.095 282 1HE2 GLN 36 1HE2 GLN 36 -14.088 -25.687 -0.480 283 2HE2 GLN 36 2HE2 GLN 36 -12.714 -26.279 0.384 284 H GLU 37 H GLU 37 -18.151 -22.856 1.914 285 HA GLU 37 HA GLU 37 -18.153 -23.943 4.635 286 1HB GLU 37 1HB GLU 37 -20.095 -22.598 4.005 287 2HB GLU 37 2HB GLU 37 -20.397 -23.651 2.630 288 1HG GLU 37 1HG GLU 37 -20.832 -25.514 4.147 289 2HG GLU 37 2HG GLU 37 -20.530 -24.458 5.526 290 H GLY 38 H GLY 38 -18.237 -24.885 1.267 291 1HA GLY 38 1HA GLY 38 -17.995 -27.697 2.130 292 2HA GLY 38 2HA GLY 38 -19.033 -27.250 0.785 293 H ASP 39 H ASP 39 -18.181 -27.121 -1.209 294 HA ASP 39 HA ASP 39 -15.246 -27.203 -1.447 295 1HB ASP 39 1HB ASP 39 -16.586 -29.394 -1.910 296 2HB ASP 39 2HB ASP 39 -17.021 -28.601 -3.421 297 H LYS 40 H LYS 40 -16.912 -24.886 -1.562 298 HA LYS 40 HA LYS 40 -16.100 -23.895 -4.156 299 1HB LYS 40 1HB LYS 40 -18.417 -22.916 -4.555 300 2HB LYS 40 2HB LYS 40 -18.232 -24.642 -4.841 301 1HG LYS 40 1HG LYS 40 -19.392 -25.204 -2.885 302 2HG LYS 40 2HG LYS 40 -19.245 -23.572 -2.228 303 1HD LYS 40 1HD LYS 40 -20.702 -24.011 -4.801 304 2HD LYS 40 2HD LYS 40 -21.504 -24.368 -3.269 305 1HE LYS 40 1HE LYS 40 -21.165 -22.105 -2.513 306 2HE LYS 40 2HE LYS 40 -20.207 -21.731 -3.946 307 1HZ LYS 40 1HZ LYS 40 -22.113 -21.030 -4.820 308 2HZ LYS 40 2HZ LYS 40 -23.051 -21.754 -3.613 309 3HZ LYS 40 3HZ LYS 40 -22.557 -22.656 -4.956 310 H CYS 41 H CYS 41 -17.044 -21.472 -4.290 311 HA CYS 41 HA CYS 41 -16.199 -20.227 -1.772 312 1HB CYS 41 1HB CYS 41 -16.371 -19.112 -4.579 313 2HB CYS 41 2HB CYS 41 -15.878 -18.184 -3.167 314 H VAL 42 H VAL 42 -17.423 -18.689 -0.730 315 HA VAL 42 HA VAL 42 -20.079 -18.085 -1.822 316 HB VAL 42 HB VAL 42 -21.013 -18.364 0.516 317 1HG1 VAL 42 1HG1 VAL 42 -21.874 -20.083 -0.621 318 2HG1 VAL 42 2HG1 VAL 42 -20.353 -20.403 -1.457 319 3HG1 VAL 42 3HG1 VAL 42 -20.631 -21.065 0.155 320 1HG2 VAL 42 1HG2 VAL 42 -18.322 -18.846 1.125 321 2HG2 VAL 42 2HG2 VAL 42 -19.709 -18.990 2.205 322 3HG2 VAL 42 3HG2 VAL 42 -19.141 -20.397 1.306 323 H GLU 43 H GLU 43 -20.107 -15.945 -2.012 324 HA GLU 43 HA GLU 43 -18.468 -14.208 -0.466 325 1HB GLU 43 1HB GLU 43 -19.404 -13.854 -2.844 326 2HB GLU 43 2HB GLU 43 -20.874 -13.323 -2.039 327 1HG GLU 43 1HG GLU 43 -19.574 -11.597 -0.859 328 2HG GLU 43 2HG GLU 43 -18.138 -12.103 -1.747 329 H ASN 44 H ASN 44 -19.109 -14.854 1.687 330 HA ASN 44 HA ASN 44 -20.291 -14.686 3.630 331 1HB ASN 44 1HB ASN 44 -19.681 -12.363 3.431 332 2HB ASN 44 2HB ASN 44 -21.005 -12.062 2.310 333 1HD2 ASN 44 1HD2 ASN 44 -20.700 -13.645 5.474 334 2HD2 ASN 44 2HD2 ASN 44 -21.978 -12.759 6.228 335 HA PRO 45 HA PRO 45 -24.226 -16.145 1.653 336 1HB PRO 45 1HB PRO 45 -24.245 -18.544 2.923 337 2HB PRO 45 2HB PRO 45 -23.390 -18.270 1.401 338 1HG PRO 45 1HG PRO 45 -22.315 -18.319 4.195 339 2HG PRO 45 2HG PRO 45 -21.633 -19.031 2.721 340 1HD PRO 45 1HD PRO 45 -20.748 -16.689 3.751 341 2HD PRO 45 2HD PRO 45 -20.752 -17.025 2.008 342 H ASN 46 H ASN 46 -23.092 -16.477 5.003 343 HA ASN 46 HA ASN 46 -25.208 -15.015 6.113 344 1HB ASN 46 1HB ASN 46 -26.166 -17.136 7.371 345 2HB ASN 46 2HB ASN 46 -26.800 -16.649 5.802 346 1HD2 ASN 46 1HD2 ASN 46 -27.426 -18.610 5.075 347 2HD2 ASN 46 2HD2 ASN 46 -26.342 -19.917 4.760 348 HA PRO 47 HA PRO 47 -22.550 -15.083 9.603 349 1HB PRO 47 1HB PRO 47 -24.293 -14.815 11.667 350 2HB PRO 47 2HB PRO 47 -23.914 -13.496 10.553 351 1HG PRO 47 1HG PRO 47 -26.270 -15.343 10.572 352 2HG PRO 47 2HG PRO 47 -26.224 -13.592 10.298 353 1HD PRO 47 1HD PRO 47 -26.416 -15.378 8.272 354 2HD PRO 47 2HD PRO 47 -25.572 -13.826 8.099 355 H THR 48 H THR 48 -21.735 -17.207 9.510 356 HA THR 48 HA THR 48 -23.128 -19.172 11.206 357 HB THR 48 HB THR 48 -21.829 -20.912 10.038 358 HG1 THR 48 HG1 THR 48 -20.070 -19.482 9.423 359 1HG2 THR 48 1HG2 THR 48 -23.568 -21.047 8.654 360 2HG2 THR 48 2HG2 THR 48 -22.873 -19.784 7.637 361 3HG2 THR 48 3HG2 THR 48 -23.944 -19.353 8.970 362 1HN NH2 49 1HN THR 49 -20.299 -20.004 13.194 363 2HN NH2 49 2HN THR 49 -21.772 -20.614 12.517 Start of MODEL 8 1 1H ASN 1 1HT ASN 1 -0.333 0.862 -3.614 2 HA ASN 1 HA ASN 1 0.655 0.320 -6.303 3 1HB ASN 1 1HB ASN 1 2.246 1.850 -4.839 4 2HB ASN 1 2HB ASN 1 2.689 0.307 -4.114 5 1HD2 ASN 1 1HD2 ASN 1 3.444 2.455 -6.475 6 2HD2 ASN 1 2HD2 ASN 1 4.314 1.416 -7.546 7 H ILE 2 H ILE 2 0.228 -1.749 -6.652 8 HA ILE 2 HA ILE 2 0.114 -3.604 -4.394 9 HB ILE 2 HB ILE 2 -0.750 -3.998 -7.262 10 1HG1 ILE 2 1HG1 ILE 2 -2.119 -2.346 -6.060 11 2HG1 ILE 2 2HG1 ILE 2 -3.030 -3.817 -6.382 12 1HG2 ILE 2 1HG2 ILE 2 -2.057 -5.901 -5.922 13 2HG2 ILE 2 2HG2 ILE 2 -0.465 -6.158 -6.634 14 3HG2 ILE 2 3HG2 ILE 2 -0.613 -5.794 -4.915 15 1HD1 ILE 2 1HD1 ILE 2 -1.804 -2.984 -3.766 16 2HD1 ILE 2 2HD1 ILE 2 -3.520 -3.061 -4.169 17 3HD1 ILE 2 3HD1 ILE 2 -2.572 -4.544 -4.061 18 H SER 3 H SER 3 2.121 -4.313 -3.922 19 HA SER 3 HA SER 3 3.750 -5.379 -6.134 20 1HB SER 3 1HB SER 3 4.617 -3.462 -4.584 21 2HB SER 3 2HB SER 3 4.875 -4.760 -3.419 22 HG SER 3 HG SER 3 6.081 -4.358 -5.932 23 H GLN 4 H GLN 4 2.315 -7.294 -5.920 24 HA GLN 4 HA GLN 4 3.368 -9.106 -3.856 25 1HB GLN 4 1HB GLN 4 0.533 -8.579 -4.634 26 2HB GLN 4 2HB GLN 4 0.985 -10.207 -4.148 27 1HG GLN 4 1HG GLN 4 2.025 -9.028 -2.086 28 2HG GLN 4 2HG GLN 4 0.970 -7.692 -2.544 29 1HE2 GLN 4 1HE2 GLN 4 0.785 -9.117 -0.132 30 2HE2 GLN 4 2HE2 GLN 4 -0.732 -9.943 -0.107 31 H HIS 5 H HIS 5 3.413 -11.349 -4.442 32 HA HIS 5 HA HIS 5 4.054 -11.728 -7.229 33 1HB HIS 5 1HB HIS 5 4.699 -14.016 -6.512 34 2HB HIS 5 2HB HIS 5 5.483 -12.758 -5.562 35 HD1 HIS 5 HD1 HIS 5 5.713 -14.994 -3.945 36 HD2 HIS 5 HD2 HIS 5 1.987 -13.180 -4.236 37 HE1 HIS 5 HE1 HIS 5 4.418 -15.793 -1.943 38 H GLN 6 H GLN 6 1.548 -11.116 -7.431 39 HA GLN 6 HA GLN 6 -0.315 -13.230 -7.058 40 1HB GLN 6 1HB GLN 6 -0.383 -10.712 -8.716 41 2HB GLN 6 2HB GLN 6 -1.728 -11.843 -8.656 42 1HG GLN 6 1HG GLN 6 -1.950 -11.499 -6.270 43 2HG GLN 6 2HG GLN 6 -0.551 -10.425 -6.277 44 1HE2 GLN 6 1HE2 GLN 6 -3.786 -10.454 -6.140 45 2HE2 GLN 6 2HE2 GLN 6 -4.142 -8.915 -6.839 46 H CYS 7 H CYS 7 -1.689 -13.733 -9.232 47 HA CYS 7 HA CYS 7 0.019 -15.462 -10.740 48 1HB CYS 7 1HB CYS 7 -2.849 -14.795 -11.391 49 2HB CYS 7 2HB CYS 7 -1.965 -16.269 -11.773 50 H VAL 8 H VAL 8 0.573 -15.363 -12.906 51 HA VAL 8 HA VAL 8 0.164 -12.744 -14.199 52 HB VAL 8 HB VAL 8 2.540 -14.562 -14.604 53 1HG1 VAL 8 1HG1 VAL 8 1.924 -13.016 -16.459 54 2HG1 VAL 8 2HG1 VAL 8 2.166 -11.665 -15.349 55 3HG1 VAL 8 3HG1 VAL 8 3.519 -12.714 -15.773 56 1HG2 VAL 8 1HG2 VAL 8 3.810 -13.006 -13.229 57 2HG2 VAL 8 2HG2 VAL 8 2.351 -12.064 -12.920 58 3HG2 VAL 8 3HG2 VAL 8 2.485 -13.711 -12.303 59 H LYS 9 H LYS 9 0.106 -16.201 -14.526 60 HA LYS 9 HA LYS 9 -1.099 -15.888 -17.187 61 1HB LYS 9 1HB LYS 9 0.827 -18.104 -16.474 62 2HB LYS 9 2HB LYS 9 0.091 -17.803 -18.043 63 1HG LYS 9 1HG LYS 9 1.964 -16.717 -18.544 64 2HG LYS 9 2HG LYS 9 1.365 -15.430 -17.496 65 1HD LYS 9 1HD LYS 9 2.528 -16.481 -15.590 66 2HD LYS 9 2HD LYS 9 3.171 -17.709 -16.684 67 1HE LYS 9 1HE LYS 9 4.023 -15.619 -18.020 68 2HE LYS 9 2HE LYS 9 3.846 -14.810 -16.464 69 1HZ LYS 9 1HZ LYS 9 5.752 -16.848 -17.291 70 2HZ LYS 9 2HZ LYS 9 5.165 -16.974 -15.710 71 3HZ LYS 9 3HZ LYS 9 5.945 -15.559 -16.212 72 H LYS 10 H LYS 10 -2.406 -16.163 -14.684 73 HA LYS 10 HA LYS 10 -3.634 -18.819 -15.029 74 1HB LYS 10 1HB LYS 10 -2.229 -18.323 -12.872 75 2HB LYS 10 2HB LYS 10 -3.657 -17.421 -12.380 76 1HG LYS 10 1HG LYS 10 -3.812 -19.606 -11.454 77 2HG LYS 10 2HG LYS 10 -5.003 -19.485 -12.751 78 1HD LYS 10 1HD LYS 10 -3.856 -21.621 -12.864 79 2HD LYS 10 2HD LYS 10 -3.438 -20.634 -14.266 80 1HE LYS 10 1HE LYS 10 -1.318 -20.058 -13.300 81 2HE LYS 10 2HE LYS 10 -1.747 -20.840 -11.779 82 1HZ LYS 10 1HZ LYS 10 -1.066 -22.080 -14.366 83 2HZ LYS 10 2HZ LYS 10 -1.985 -22.929 -13.228 84 3HZ LYS 10 3HZ LYS 10 -0.428 -22.399 -12.832 85 H GLN 11 H GLN 11 -5.877 -18.951 -14.789 86 HA GLN 11 HA GLN 11 -7.276 -16.490 -15.387 87 1HB GLN 11 1HB GLN 11 -8.151 -19.373 -15.249 88 2HB GLN 11 2HB GLN 11 -9.266 -18.052 -15.572 89 1HG GLN 11 1HG GLN 11 -6.905 -18.876 -17.245 90 2HG GLN 11 2HG GLN 11 -8.612 -19.071 -17.641 91 1HE2 GLN 11 1HE2 GLN 11 -6.020 -17.347 -18.415 92 2HE2 GLN 11 2HE2 GLN 11 -6.747 -15.843 -18.854 93 H CYS 12 H CYS 12 -8.295 -19.136 -13.246 94 HA CYS 12 HA CYS 12 -9.213 -19.148 -11.165 95 1HB CYS 12 1HB CYS 12 -7.875 -16.461 -10.803 96 2HB CYS 12 2HB CYS 12 -8.425 -17.546 -9.531 97 HA PRO 13 HA PRO 13 -13.019 -16.979 -11.430 98 1HB PRO 13 1HB PRO 13 -13.821 -16.987 -8.836 99 2HB PRO 13 2HB PRO 13 -13.826 -18.436 -9.847 100 1HG PRO 13 1HG PRO 13 -11.813 -17.551 -7.816 101 2HG PRO 13 2HG PRO 13 -12.483 -19.169 -8.096 102 1HD PRO 13 1HD PRO 13 -10.045 -18.424 -9.008 103 2HD PRO 13 2HD PRO 13 -11.075 -19.581 -9.874 104 H GLN 14 H GLN 14 -14.172 -15.048 -10.750 105 HA GLN 14 HA GLN 14 -12.338 -12.878 -10.168 106 1HB GLN 14 1HB GLN 14 -15.205 -13.014 -11.067 107 2HB GLN 14 2HB GLN 14 -14.485 -11.498 -10.540 108 1HG GLN 14 1HG GLN 14 -13.037 -11.405 -12.337 109 2HG GLN 14 2HG GLN 14 -13.145 -13.138 -12.643 110 1HE2 GLN 14 1HE2 GLN 14 -15.165 -13.950 -13.509 111 2HE2 GLN 14 2HE2 GLN 14 -16.111 -12.937 -14.540 112 H ASN 15 H ASN 15 -14.080 -14.956 -8.322 113 HA ASN 15 HA ASN 15 -14.678 -12.946 -6.260 114 1HB ASN 15 1HB ASN 15 -15.750 -15.725 -6.738 115 2HB ASN 15 2HB ASN 15 -15.999 -14.871 -5.218 116 1HD2 ASN 15 1HD2 ASN 15 -17.400 -13.153 -5.136 117 2HD2 ASN 15 2HD2 ASN 15 -18.478 -12.757 -6.427 118 H SER 16 H SER 16 -12.053 -14.286 -6.985 119 HA SER 16 HA SER 16 -11.368 -15.073 -4.245 120 1HB SER 16 1HB SER 16 -10.458 -16.582 -6.708 121 2HB SER 16 2HB SER 16 -9.998 -16.935 -5.042 122 HG SER 16 HG SER 16 -12.672 -16.963 -5.988 123 H GLY 17 H GLY 17 -8.897 -15.200 -4.013 124 1HA GLY 17 1HA GLY 17 -7.681 -13.030 -5.611 125 2HA GLY 17 2HA GLY 17 -7.446 -13.169 -3.875 126 H CYS 18 H CYS 18 -7.074 -15.150 -6.817 127 HA CYS 18 HA CYS 18 -5.292 -17.017 -5.891 128 1HB CYS 18 1HB CYS 18 -4.797 -17.507 -8.112 129 2HB CYS 18 2HB CYS 18 -6.363 -16.713 -8.243 130 H PHE 19 H PHE 19 -2.934 -17.205 -6.375 131 HA PHE 19 HA PHE 19 -1.300 -14.941 -6.741 132 1HB PHE 19 1HB PHE 19 -0.497 -14.493 -4.543 133 2HB PHE 19 2HB PHE 19 -2.255 -14.457 -4.447 134 HD1 PHE 19 HD1 PHE 19 -3.285 -16.902 -3.938 135 HD2 PHE 19 HD2 PHE 19 0.588 -15.534 -2.824 136 HE1 PHE 19 HE1 PHE 19 -3.220 -18.569 -2.129 137 HE2 PHE 19 HE2 PHE 19 0.660 -17.198 -1.014 138 HZ PHE 19 HZ PHE 19 -1.245 -18.719 -0.665 139 H ARG 20 H ARG 20 0.828 -15.505 -7.020 140 HA ARG 20 HA ARG 20 1.367 -18.338 -7.186 141 1HB ARG 20 1HB ARG 20 2.099 -16.341 -8.780 142 2HB ARG 20 2HB ARG 20 3.484 -16.304 -7.698 143 1HG ARG 20 1HG ARG 20 4.384 -18.097 -8.648 144 2HG ARG 20 2HG ARG 20 2.869 -18.997 -8.553 145 1HD ARG 20 1HD ARG 20 2.915 -18.869 -10.795 146 2HD ARG 20 2HD ARG 20 2.306 -17.235 -10.536 147 HE ARG 20 HE ARG 20 5.178 -17.433 -10.530 148 1HH1 ARG 20 1HH1 ARG 20 2.327 -17.007 -12.483 149 2HH1 ARG 20 2HH1 ARG 20 3.169 -16.210 -13.770 150 1HH2 ARG 20 1HH2 ARG 20 6.298 -16.384 -12.218 151 2HH2 ARG 20 2HH2 ARG 20 5.428 -15.857 -13.619 152 H HIS 21 H HIS 21 2.467 -19.527 -5.764 153 HA HIS 21 HA HIS 21 3.361 -18.338 -3.303 154 1HB HIS 21 1HB HIS 21 2.998 -21.091 -4.353 155 2HB HIS 21 2HB HIS 21 4.187 -20.885 -3.070 156 HD1 HIS 21 HD1 HIS 21 3.040 -19.267 -1.003 157 HD2 HIS 21 HD2 HIS 21 0.597 -21.712 -3.309 158 HE1 HIS 21 HE1 HIS 21 0.951 -19.604 0.355 159 H LEU 22 H LEU 22 5.534 -19.046 -2.386 160 HA LEU 22 HA LEU 22 7.596 -17.907 -3.870 161 1HB LEU 22 1HB LEU 22 8.013 -19.959 -1.713 162 2HB LEU 22 2HB LEU 22 9.070 -18.621 -2.160 163 HG LEU 22 HG LEU 22 6.429 -18.456 -0.715 164 1HD1 LEU 22 1HD1 LEU 22 7.867 -18.901 0.970 165 2HD1 LEU 22 2HD1 LEU 22 8.197 -17.175 0.829 166 3HD1 LEU 22 3HD1 LEU 22 9.275 -18.344 0.066 167 1HD2 LEU 22 1HD2 LEU 22 7.309 -15.967 -0.573 168 2HD2 LEU 22 2HD2 LEU 22 6.300 -16.518 -1.911 169 3HD2 LEU 22 3HD2 LEU 22 8.048 -16.396 -2.116 170 H ASP 23 H ASP 23 6.332 -21.119 -3.904 171 HA ASP 23 HA ASP 23 8.640 -22.121 -5.404 172 1HB ASP 23 1HB ASP 23 7.407 -23.372 -3.450 173 2HB ASP 23 2HB ASP 23 6.266 -23.811 -4.718 174 H GLU 24 H GLU 24 6.838 -20.170 -6.560 175 HA GLU 24 HA GLU 24 5.638 -19.760 -8.454 176 1HB GLU 24 1HB GLU 24 6.888 -22.287 -9.523 177 2HB GLU 24 2HB GLU 24 6.382 -20.868 -10.428 178 1HG GLU 24 1HG GLU 24 8.195 -19.786 -8.727 179 2HG GLU 24 2HG GLU 24 8.870 -21.395 -8.977 180 H ARG 25 H ARG 25 4.217 -21.163 -6.484 181 HA ARG 25 HA ARG 25 2.519 -22.946 -8.104 182 1HB ARG 25 1HB ARG 25 3.456 -24.193 -6.291 183 2HB ARG 25 2HB ARG 25 3.069 -22.924 -5.138 184 1HG ARG 25 1HG ARG 25 0.784 -23.428 -5.176 185 2HG ARG 25 2HG ARG 25 0.932 -24.375 -6.658 186 1HD ARG 25 1HD ARG 25 0.672 -25.904 -4.847 187 2HD ARG 25 2HD ARG 25 2.348 -25.993 -5.386 188 HE ARG 25 HE ARG 25 2.016 -24.139 -3.247 189 1HH1 ARG 25 1HH1 ARG 25 2.306 -27.527 -3.995 190 2HH1 ARG 25 2HH1 ARG 25 2.951 -27.948 -2.443 191 1HH2 ARG 25 1HH2 ARG 25 2.864 -24.681 -1.200 192 2HH2 ARG 25 2HH2 ARG 25 3.267 -26.329 -0.853 193 H GLU 26 H GLU 26 0.889 -21.731 -8.855 194 HA GLU 26 HA GLU 26 -0.213 -19.539 -7.363 195 1HB GLU 26 1HB GLU 26 -1.440 -20.797 -9.809 196 2HB GLU 26 2HB GLU 26 -1.591 -19.138 -9.247 197 1HG GLU 26 1HG GLU 26 -0.073 -18.740 -10.845 198 2HG GLU 26 2HG GLU 26 1.067 -19.260 -9.605 199 H GLU 27 H GLU 27 -1.977 -19.498 -6.100 200 HA GLU 27 HA GLU 27 -3.677 -21.900 -6.012 201 1HB GLU 27 1HB GLU 27 -1.938 -21.515 -4.076 202 2HB GLU 27 2HB GLU 27 -3.124 -20.344 -3.517 203 1HG GLU 27 1HG GLU 27 -4.831 -22.167 -3.581 204 2HG GLU 27 2HG GLU 27 -3.520 -23.297 -3.914 205 H CYS 28 H CYS 28 -5.430 -21.082 -7.047 206 HA CYS 28 HA CYS 28 -6.422 -18.443 -6.613 207 1HB CYS 28 1HB CYS 28 -7.955 -20.757 -7.799 208 2HB CYS 28 2HB CYS 28 -8.201 -19.038 -8.089 209 H LYS 29 H LYS 29 -6.515 -18.534 -4.254 210 HA LYS 29 HA LYS 29 -8.758 -20.074 -3.171 211 1HB LYS 29 1HB LYS 29 -6.284 -19.726 -2.157 212 2HB LYS 29 2HB LYS 29 -7.108 -18.376 -1.388 213 1HG LYS 29 1HG LYS 29 -8.879 -20.155 -0.738 214 2HG LYS 29 2HG LYS 29 -7.586 -21.307 -1.078 215 1HD LYS 29 1HD LYS 29 -7.520 -20.799 1.257 216 2HD LYS 29 2HD LYS 29 -6.133 -20.016 0.497 217 1HE LYS 29 1HE LYS 29 -7.017 -17.905 0.750 218 2HE LYS 29 2HE LYS 29 -8.679 -18.492 0.800 219 1HZ LYS 29 1HZ LYS 29 -8.100 -17.791 2.972 220 2HZ LYS 29 2HZ LYS 29 -6.647 -18.657 2.954 221 3HZ LYS 29 3HZ LYS 29 -8.123 -19.482 3.005 222 H CYS 30 H CYS 30 -10.522 -19.132 -2.204 223 HA CYS 30 HA CYS 30 -11.468 -16.716 -3.181 224 1HB CYS 30 1HB CYS 30 -12.307 -17.912 -0.539 225 2HB CYS 30 2HB CYS 30 -13.275 -16.929 -1.633 226 H LEU 31 H LEU 31 -11.747 -14.657 -2.258 227 HA LEU 31 HA LEU 31 -9.532 -13.565 -0.978 228 1HB LEU 31 1HB LEU 31 -12.364 -12.551 -1.137 229 2HB LEU 31 2HB LEU 31 -11.003 -11.595 -0.555 230 HG LEU 31 HG LEU 31 -10.701 -12.767 -3.249 231 1HD1 LEU 31 1HD1 LEU 31 -12.931 -12.162 -3.587 232 2HD1 LEU 31 2HD1 LEU 31 -12.015 -10.769 -4.160 233 3HD1 LEU 31 3HD1 LEU 31 -12.791 -10.723 -2.577 234 1HD2 LEU 31 1HD2 LEU 31 -8.973 -11.360 -2.394 235 2HD2 LEU 31 2HD2 LEU 31 -10.131 -10.101 -1.964 236 3HD2 LEU 31 3HD2 LEU 31 -9.813 -10.467 -3.661 237 H LEU 32 H LEU 32 -10.012 -12.102 1.118 238 HA LEU 32 HA LEU 32 -10.277 -13.995 3.258 239 1HB LEU 32 1HB LEU 32 -9.911 -11.948 4.688 240 2HB LEU 32 2HB LEU 32 -8.622 -12.357 3.559 241 HG LEU 32 HG LEU 32 -10.587 -10.416 2.548 242 1HD1 LEU 32 1HD1 LEU 32 -10.573 -9.032 4.280 243 2HD1 LEU 32 2HD1 LEU 32 -8.834 -8.842 4.053 244 3HD1 LEU 32 3HD1 LEU 32 -9.450 -10.066 5.164 245 1HD2 LEU 32 1HD2 LEU 32 -8.833 -9.714 1.317 246 2HD2 LEU 32 2HD2 LEU 32 -8.165 -11.287 1.753 247 3HD2 LEU 32 3HD2 LEU 32 -7.698 -9.848 2.660 248 H ASN 33 H ASN 33 -12.504 -12.314 1.485 249 HA ASN 33 HA ASN 33 -14.390 -12.123 3.737 250 1HB ASN 33 1HB ASN 33 -14.744 -10.836 1.031 251 2HB ASN 33 2HB ASN 33 -15.594 -10.466 2.528 252 1HD2 ASN 33 1HD2 ASN 33 -12.795 -9.919 0.625 253 2HD2 ASN 33 2HD2 ASN 33 -12.065 -8.728 1.642 254 H TYR 34 H TYR 34 -13.692 -14.576 2.329 255 HA TYR 34 HA TYR 34 -16.388 -15.295 1.422 256 1HB TYR 34 1HB TYR 34 -13.803 -15.888 -0.016 257 2HB TYR 34 2HB TYR 34 -15.286 -16.786 -0.318 258 HD1 TYR 34 HD1 TYR 34 -13.985 -13.288 -0.246 259 HD2 TYR 34 HD2 TYR 34 -16.747 -16.036 -1.956 260 HE1 TYR 34 HE1 TYR 34 -14.689 -11.568 -1.858 261 HE2 TYR 34 HE2 TYR 34 -17.457 -14.325 -3.573 262 HH TYR 34 HH TYR 34 -15.745 -11.552 -4.188 263 H LYS 35 H LYS 35 -16.973 -16.553 3.096 264 HA LYS 35 HA LYS 35 -15.144 -18.347 4.394 265 1HB LYS 35 1HB LYS 35 -18.143 -18.361 4.684 266 2HB LYS 35 2HB LYS 35 -16.936 -18.882 5.853 267 1HG LYS 35 1HG LYS 35 -16.202 -16.338 5.648 268 2HG LYS 35 2HG LYS 35 -17.900 -16.160 5.199 269 1HD LYS 35 1HD LYS 35 -16.871 -17.477 7.714 270 2HD LYS 35 2HD LYS 35 -17.559 -15.854 7.609 271 1HE LYS 35 1HE LYS 35 -19.627 -16.994 6.628 272 2HE LYS 35 2HE LYS 35 -18.924 -18.501 7.213 273 1HZ LYS 35 1HZ LYS 35 -18.922 -16.469 9.218 274 2HZ LYS 35 2HZ LYS 35 -19.547 -18.040 9.280 275 3HZ LYS 35 3HZ LYS 35 -20.485 -16.782 8.650 276 H GLN 36 H GLN 36 -14.430 -19.884 2.967 277 HA GLN 36 HA GLN 36 -15.835 -21.220 1.017 278 1HB GLN 36 1HB GLN 36 -13.318 -21.332 1.723 279 2HB GLN 36 2HB GLN 36 -13.840 -22.713 2.679 280 1HG GLN 36 1HG GLN 36 -14.936 -23.413 0.368 281 2HG GLN 36 2HG GLN 36 -13.633 -22.402 -0.257 282 1HE2 GLN 36 1HE2 GLN 36 -13.876 -25.175 -0.684 283 2HE2 GLN 36 2HE2 GLN 36 -12.529 -25.952 0.069 284 H GLU 37 H GLU 37 -17.749 -22.178 1.237 285 HA GLU 37 HA GLU 37 -18.479 -23.511 3.703 286 1HB GLU 37 1HB GLU 37 -20.015 -22.063 2.219 287 2HB GLU 37 2HB GLU 37 -20.122 -23.481 1.184 288 1HG GLU 37 1HG GLU 37 -22.009 -23.458 2.641 289 2HG GLU 37 2HG GLU 37 -20.946 -24.778 3.124 290 H GLY 38 H GLY 38 -18.315 -24.447 0.261 291 1HA GLY 38 1HA GLY 38 -17.506 -27.138 1.120 292 2HA GLY 38 2HA GLY 38 -18.885 -26.970 0.043 293 H ASP 39 H ASP 39 -18.563 -26.391 -2.106 294 HA ASP 39 HA ASP 39 -15.753 -26.382 -2.995 295 1HB ASP 39 1HB ASP 39 -18.123 -27.870 -4.096 296 2HB ASP 39 2HB ASP 39 -16.742 -27.485 -5.120 297 H LYS 40 H LYS 40 -16.925 -24.005 -2.472 298 HA LYS 40 HA LYS 40 -16.723 -22.643 -4.932 299 1HB LYS 40 1HB LYS 40 -19.101 -21.728 -4.920 300 2HB LYS 40 2HB LYS 40 -18.893 -23.374 -5.501 301 1HG LYS 40 1HG LYS 40 -19.842 -24.301 -3.589 302 2HG LYS 40 2HG LYS 40 -19.612 -22.826 -2.647 303 1HD LYS 40 1HD LYS 40 -21.416 -22.910 -5.048 304 2HD LYS 40 2HD LYS 40 -21.984 -23.369 -3.441 305 1HE LYS 40 1HE LYS 40 -20.978 -21.081 -2.725 306 2HE LYS 40 2HE LYS 40 -21.077 -20.699 -4.443 307 1HZ LYS 40 1HZ LYS 40 -23.502 -21.571 -4.136 308 2HZ LYS 40 2HZ LYS 40 -23.104 -19.981 -3.720 309 3HZ LYS 40 3HZ LYS 40 -23.238 -21.162 -2.516 310 H CYS 41 H CYS 41 -16.896 -20.332 -4.697 311 HA CYS 41 HA CYS 41 -16.254 -19.483 -1.998 312 1HB CYS 41 1HB CYS 41 -16.245 -17.968 -4.617 313 2HB CYS 41 2HB CYS 41 -15.682 -17.324 -3.078 314 H VAL 42 H VAL 42 -17.396 -18.025 -0.777 315 HA VAL 42 HA VAL 42 -19.937 -17.024 -1.851 316 HB VAL 42 HB VAL 42 -20.941 -17.545 0.454 317 1HG1 VAL 42 1HG1 VAL 42 -20.899 -20.162 -0.469 318 2HG1 VAL 42 2HG1 VAL 42 -22.050 -18.903 -0.920 319 3HG1 VAL 42 3HG1 VAL 42 -20.617 -19.185 -1.909 320 1HG2 VAL 42 1HG2 VAL 42 -19.983 -19.540 1.558 321 2HG2 VAL 42 2HG2 VAL 42 -18.599 -19.447 0.469 322 3HG2 VAL 42 3HG2 VAL 42 -18.908 -18.143 1.615 323 H GLU 43 H GLU 43 -19.770 -14.886 -1.715 324 HA GLU 43 HA GLU 43 -18.046 -13.538 0.084 325 1HB GLU 43 1HB GLU 43 -19.272 -11.483 -0.717 326 2HB GLU 43 2HB GLU 43 -18.538 -12.464 -1.978 327 1HG GLU 43 1HG GLU 43 -20.486 -12.718 -2.989 328 2HG GLU 43 2HG GLU 43 -21.223 -13.340 -1.513 329 H ASN 44 H ASN 44 -18.610 -14.254 2.167 330 HA ASN 44 HA ASN 44 -19.722 -14.261 4.157 331 1HB ASN 44 1HB ASN 44 -19.233 -11.903 4.110 332 2HB ASN 44 2HB ASN 44 -20.601 -11.590 3.046 333 1HD2 ASN 44 1HD2 ASN 44 -20.288 -13.524 5.997 334 2HD2 ASN 44 2HD2 ASN 44 -21.524 -12.697 6.876 335 HA PRO 45 HA PRO 45 -23.644 -15.789 2.216 336 1HB PRO 45 1HB PRO 45 -23.516 -18.249 3.359 337 2HB PRO 45 2HB PRO 45 -22.717 -17.856 1.832 338 1HG PRO 45 1HG PRO 45 -21.566 -17.998 4.592 339 2HG PRO 45 2HG PRO 45 -20.891 -18.600 3.066 340 1HD PRO 45 1HD PRO 45 -20.089 -16.274 4.196 341 2HD PRO 45 2HD PRO 45 -20.124 -16.519 2.438 342 H ASN 46 H ASN 46 -22.481 -16.544 5.506 343 HA ASN 46 HA ASN 46 -24.451 -15.086 6.845 344 1HB ASN 46 1HB ASN 46 -25.641 -17.266 7.756 345 2HB ASN 46 2HB ASN 46 -26.204 -16.472 6.288 346 1HD2 ASN 46 1HD2 ASN 46 -23.773 -18.871 7.260 347 2HD2 ASN 46 2HD2 ASN 46 -24.089 -19.965 5.960 348 HA PRO 47 HA PRO 47 -21.853 -15.988 10.263 349 1HB PRO 47 1HB PRO 47 -23.579 -15.866 12.355 350 2HB PRO 47 2HB PRO 47 -23.051 -14.436 11.461 351 1HG PRO 47 1HG PRO 47 -25.590 -16.001 11.201 352 2HG PRO 47 2HG PRO 47 -25.355 -14.244 11.209 353 1HD PRO 47 1HD PRO 47 -25.713 -15.656 8.926 354 2HD PRO 47 2HD PRO 47 -24.708 -14.194 8.997 355 H THR 48 H THR 48 -21.604 -18.246 9.423 356 HA THR 48 HA THR 48 -23.178 -20.386 10.338 357 HB THR 48 HB THR 48 -21.189 -21.811 9.821 358 HG1 THR 48 HG1 THR 48 -19.518 -20.400 8.636 359 1HG2 THR 48 1HG2 THR 48 -21.240 -21.429 7.441 360 2HG2 THR 48 2HG2 THR 48 -21.802 -19.774 7.678 361 3HG2 THR 48 3HG2 THR 48 -22.850 -21.130 8.096 362 1HN NH2 49 1HN THR 49 -20.328 -19.628 13.224 363 2HN NH2 49 2HN THR 49 -20.262 -18.848 11.679 Start of MODEL 9 1 1H ASN 1 1HT ASN 1 5.803 -0.286 -1.579 2 HA ASN 1 HA ASN 1 4.768 -2.495 -2.151 3 1HB ASN 1 1HB ASN 1 4.865 -3.405 0.260 4 2HB ASN 1 2HB ASN 1 6.331 -2.696 -0.410 5 1HD2 ASN 1 1HD2 ASN 1 3.603 -2.133 1.717 6 2HD2 ASN 1 2HD2 ASN 1 4.355 -0.900 2.665 7 H ILE 2 H ILE 2 2.586 -0.957 -2.574 8 HA ILE 2 HA ILE 2 0.540 -1.750 -0.645 9 HB ILE 2 HB ILE 2 -0.977 -0.314 -1.914 10 1HG1 ILE 2 1HG1 ILE 2 0.554 1.176 -3.628 11 2HG1 ILE 2 2HG1 ILE 2 1.222 -0.436 -3.866 12 1HG2 ILE 2 1HG2 ILE 2 1.274 0.506 -0.435 13 2HG2 ILE 2 2HG2 ILE 2 1.090 1.653 -1.761 14 3HG2 ILE 2 3HG2 ILE 2 -0.252 1.363 -0.655 15 1HD1 ILE 2 1HD1 ILE 2 -0.721 -1.255 -4.756 16 2HD1 ILE 2 2HD1 ILE 2 -1.729 -0.066 -3.930 17 3HD1 ILE 2 3HD1 ILE 2 -0.761 0.414 -5.324 18 H SER 3 H SER 3 1.942 -3.585 -2.601 19 HA SER 3 HA SER 3 -0.376 -5.096 -3.332 20 1HB SER 3 1HB SER 3 -0.507 -3.711 -5.250 21 2HB SER 3 2HB SER 3 1.242 -3.720 -5.474 22 HG SER 3 HG SER 3 1.146 -5.752 -6.255 23 H GLN 4 H GLN 4 0.194 -7.188 -4.293 24 HA GLN 4 HA GLN 4 3.002 -7.939 -3.849 25 1HB GLN 4 1HB GLN 4 0.536 -9.349 -2.837 26 2HB GLN 4 2HB GLN 4 2.106 -10.134 -2.939 27 1HG GLN 4 1HG GLN 4 3.031 -8.395 -1.450 28 2HG GLN 4 2HG GLN 4 1.413 -7.714 -1.292 29 1HE2 GLN 4 1HE2 GLN 4 2.102 -8.179 1.017 30 2HE2 GLN 4 2HE2 GLN 4 1.637 -9.714 1.659 31 H HIS 5 H HIS 5 3.176 -10.415 -4.623 32 HA HIS 5 HA HIS 5 3.025 -10.381 -7.396 33 1HB HIS 5 1HB HIS 5 3.320 -12.904 -7.192 34 2HB HIS 5 2HB HIS 5 4.538 -11.908 -6.402 35 HD1 HIS 5 HD1 HIS 5 5.100 -13.870 -4.790 36 HD2 HIS 5 HD2 HIS 5 1.201 -12.464 -4.498 37 HE1 HIS 5 HE1 HIS 5 4.190 -14.848 -2.659 38 H GLN 6 H GLN 6 1.848 -12.193 -8.670 39 HA GLN 6 HA GLN 6 -0.710 -13.037 -7.774 40 1HB GLN 6 1HB GLN 6 -0.832 -10.445 -8.340 41 2HB GLN 6 2HB GLN 6 -0.983 -11.054 -9.983 42 1HG GLN 6 1HG GLN 6 -3.018 -12.038 -9.581 43 2HG GLN 6 2HG GLN 6 -2.728 -12.178 -7.848 44 1HE2 GLN 6 1HE2 GLN 6 -2.325 -9.882 -6.844 45 2HE2 GLN 6 2HE2 GLN 6 -3.535 -8.714 -7.239 46 H CYS 7 H CYS 7 -2.062 -13.801 -9.757 47 HA CYS 7 HA CYS 7 -0.389 -15.578 -11.240 48 1HB CYS 7 1HB CYS 7 -3.320 -15.041 -11.728 49 2HB CYS 7 2HB CYS 7 -2.414 -16.500 -12.115 50 H VAL 8 H VAL 8 0.220 -15.525 -13.349 51 HA VAL 8 HA VAL 8 -0.494 -13.103 -14.873 52 HB VAL 8 HB VAL 8 2.063 -14.673 -15.180 53 1HG1 VAL 8 1HG1 VAL 8 2.327 -13.424 -16.995 54 2HG1 VAL 8 2HG1 VAL 8 0.815 -12.575 -16.670 55 3HG1 VAL 8 3HG1 VAL 8 2.325 -11.985 -15.976 56 1HG2 VAL 8 1HG2 VAL 8 1.943 -13.710 -12.929 57 2HG2 VAL 8 2HG2 VAL 8 3.172 -12.914 -13.911 58 3HG2 VAL 8 3HG2 VAL 8 1.621 -12.123 -13.628 59 H LYS 9 H LYS 9 -0.383 -16.533 -14.822 60 HA LYS 9 HA LYS 9 -1.470 -16.593 -17.548 61 1HB LYS 9 1HB LYS 9 0.437 -18.699 -16.540 62 2HB LYS 9 2HB LYS 9 -0.152 -18.468 -18.181 63 1HG LYS 9 1HG LYS 9 1.871 -17.524 -18.460 64 2HG LYS 9 2HG LYS 9 1.050 -16.103 -17.810 65 1HD LYS 9 1HD LYS 9 1.863 -16.638 -15.576 66 2HD LYS 9 2HD LYS 9 2.646 -18.093 -16.196 67 1HE LYS 9 1HE LYS 9 3.283 -15.347 -17.243 68 2HE LYS 9 2HE LYS 9 4.114 -16.040 -15.852 69 1HZ LYS 9 1HZ LYS 9 5.492 -16.874 -17.379 70 2HZ LYS 9 2HZ LYS 9 4.404 -16.645 -18.654 71 3HZ LYS 9 3HZ LYS 9 4.280 -18.018 -17.674 72 H LYS 10 H LYS 10 -2.725 -16.680 -14.917 73 HA LYS 10 HA LYS 10 -3.983 -19.335 -15.125 74 1HB LYS 10 1HB LYS 10 -2.472 -18.746 -13.035 75 2HB LYS 10 2HB LYS 10 -3.920 -17.900 -12.505 76 1HG LYS 10 1HG LYS 10 -3.879 -20.114 -11.566 77 2HG LYS 10 2HG LYS 10 -5.198 -19.991 -12.733 78 1HD LYS 10 1HD LYS 10 -4.213 -21.426 -14.203 79 2HD LYS 10 2HD LYS 10 -2.578 -20.953 -13.737 80 1HE LYS 10 1HE LYS 10 -2.925 -22.167 -11.583 81 2HE LYS 10 2HE LYS 10 -4.462 -22.752 -12.220 82 1HZ LYS 10 1HZ LYS 10 -1.788 -23.263 -13.408 83 2HZ LYS 10 2HZ LYS 10 -3.260 -23.818 -14.028 84 3HZ LYS 10 3HZ LYS 10 -2.709 -24.378 -12.530 85 H GLN 11 H GLN 11 -6.200 -19.421 -14.944 86 HA GLN 11 HA GLN 11 -7.591 -16.945 -15.450 87 1HB GLN 11 1HB GLN 11 -8.445 -19.832 -15.359 88 2HB GLN 11 2HB GLN 11 -9.605 -18.525 -15.552 89 1HG GLN 11 1HG GLN 11 -8.106 -17.800 -17.525 90 2HG GLN 11 2HG GLN 11 -7.467 -19.440 -17.426 91 1HE2 GLN 11 1HE2 GLN 11 -8.286 -20.328 -19.224 92 2HE2 GLN 11 2HE2 GLN 11 -9.972 -20.459 -19.579 93 H CYS 12 H CYS 12 -8.489 -19.610 -13.268 94 HA CYS 12 HA CYS 12 -9.329 -19.632 -11.154 95 1HB CYS 12 1HB CYS 12 -8.155 -16.866 -10.841 96 2HB CYS 12 2HB CYS 12 -8.537 -18.016 -9.564 97 HA PRO 13 HA PRO 13 -13.243 -17.655 -11.337 98 1HB PRO 13 1HB PRO 13 -13.973 -17.683 -8.722 99 2HB PRO 13 2HB PRO 13 -13.935 -19.138 -9.725 100 1HG PRO 13 1HG PRO 13 -11.913 -18.142 -7.755 101 2HG PRO 13 2HG PRO 13 -12.511 -19.792 -8.006 102 1HD PRO 13 1HD PRO 13 -10.138 -18.937 -8.990 103 2HD PRO 13 2HD PRO 13 -11.134 -20.149 -9.820 104 H GLN 14 H GLN 14 -14.507 -15.806 -10.515 105 HA GLN 14 HA GLN 14 -12.755 -13.533 -10.036 106 1HB GLN 14 1HB GLN 14 -14.760 -12.176 -10.517 107 2HB GLN 14 2HB GLN 14 -14.399 -13.315 -11.807 108 1HG GLN 14 1HG GLN 14 -16.300 -14.185 -9.710 109 2HG GLN 14 2HG GLN 14 -16.846 -12.961 -10.856 110 1HE2 GLN 14 1HE2 GLN 14 -17.712 -15.731 -10.491 111 2HE2 GLN 14 2HE2 GLN 14 -17.490 -16.503 -12.020 112 H ASN 15 H ASN 15 -14.313 -15.696 -8.136 113 HA ASN 15 HA ASN 15 -14.971 -13.716 -6.062 114 1HB ASN 15 1HB ASN 15 -15.913 -16.536 -6.543 115 2HB ASN 15 2HB ASN 15 -16.120 -15.751 -4.980 116 1HD2 ASN 15 1HD2 ASN 15 -17.535 -14.019 -4.791 117 2HD2 ASN 15 2HD2 ASN 15 -18.725 -13.669 -5.993 118 H SER 16 H SER 16 -12.307 -14.979 -6.887 119 HA SER 16 HA SER 16 -11.500 -15.712 -4.159 120 1HB SER 16 1HB SER 16 -10.553 -17.119 -6.668 121 2HB SER 16 2HB SER 16 -10.026 -17.464 -5.021 122 HG SER 16 HG SER 16 -12.760 -17.563 -5.650 123 H GLY 17 H GLY 17 -8.963 -15.775 -4.098 124 1HA GLY 17 1HA GLY 17 -7.956 -13.463 -5.636 125 2HA GLY 17 2HA GLY 17 -7.654 -13.630 -3.913 126 H CYS 18 H CYS 18 -7.281 -15.541 -6.902 127 HA CYS 18 HA CYS 18 -5.338 -17.292 -6.072 128 1HB CYS 18 1HB CYS 18 -4.938 -17.756 -8.312 129 2HB CYS 18 2HB CYS 18 -6.545 -17.040 -8.371 130 H PHE 19 H PHE 19 -2.998 -17.318 -6.709 131 HA PHE 19 HA PHE 19 -1.574 -14.896 -7.076 132 1HB PHE 19 1HB PHE 19 -0.626 -14.539 -4.925 133 2HB PHE 19 2HB PHE 19 -2.362 -14.682 -4.673 134 HD1 PHE 19 HD1 PHE 19 -3.109 -17.257 -4.298 135 HD2 PHE 19 HD2 PHE 19 0.701 -15.590 -3.391 136 HE1 PHE 19 HE1 PHE 19 -2.724 -19.043 -2.651 137 HE2 PHE 19 HE2 PHE 19 1.093 -17.374 -1.743 138 HZ PHE 19 HZ PHE 19 -0.620 -19.104 -1.371 139 H ARG 20 H ARG 20 0.515 -15.281 -7.657 140 HA ARG 20 HA ARG 20 1.276 -18.068 -7.944 141 1HB ARG 20 1HB ARG 20 1.495 -16.163 -9.715 142 2HB ARG 20 2HB ARG 20 2.965 -15.758 -8.839 143 1HG ARG 20 1HG ARG 20 4.088 -17.507 -9.669 144 2HG ARG 20 2HG ARG 20 2.707 -18.594 -9.514 145 1HD ARG 20 1HD ARG 20 2.243 -18.388 -11.677 146 2HD ARG 20 2HD ARG 20 2.176 -16.632 -11.533 147 HE ARG 20 HE ARG 20 4.289 -18.169 -12.651 148 1HH1 ARG 20 1HH1 ARG 20 3.619 -15.281 -10.826 149 2HH1 ARG 20 2HH1 ARG 20 5.045 -14.456 -11.360 150 1HH2 ARG 20 1HH2 ARG 20 6.171 -17.093 -13.362 151 2HH2 ARG 20 2HH2 ARG 20 6.496 -15.487 -12.803 152 H HIS 21 H HIS 21 2.249 -19.009 -6.273 153 HA HIS 21 HA HIS 21 3.480 -17.777 -4.125 154 1HB HIS 21 1HB HIS 21 3.583 -20.519 -5.290 155 2HB HIS 21 2HB HIS 21 4.777 -20.099 -4.065 156 HD1 HIS 21 HD1 HIS 21 3.632 -19.090 -1.764 157 HD2 HIS 21 HD2 HIS 21 1.248 -21.409 -4.254 158 HE1 HIS 21 HE1 HIS 21 1.702 -19.842 -0.338 159 H LEU 22 H LEU 22 5.861 -18.137 -3.517 160 HA LEU 22 HA LEU 22 7.454 -16.645 -5.335 161 1HB LEU 22 1HB LEU 22 8.431 -18.219 -2.964 162 2HB LEU 22 2HB LEU 22 9.195 -16.820 -3.716 163 HG LEU 22 HG LEU 22 6.579 -16.752 -2.214 164 1HD1 LEU 22 1HD1 LEU 22 7.799 -15.722 -0.412 165 2HD1 LEU 22 2HD1 LEU 22 9.303 -15.819 -1.326 166 3HD1 LEU 22 3HD1 LEU 22 8.512 -17.294 -0.773 167 1HD2 LEU 22 1HD2 LEU 22 8.046 -14.833 -3.864 168 2HD2 LEU 22 2HD2 LEU 22 7.606 -14.222 -2.269 169 3HD2 LEU 22 3HD2 LEU 22 6.358 -14.837 -3.354 170 H ASP 23 H ASP 23 6.879 -20.002 -4.896 171 HA ASP 23 HA ASP 23 9.283 -20.757 -6.378 172 1HB ASP 23 1HB ASP 23 7.163 -22.395 -4.980 173 2HB ASP 23 2HB ASP 23 8.473 -23.102 -5.920 174 H GLU 24 H GLU 24 6.982 -19.291 -7.568 175 HA GLU 24 HA GLU 24 5.793 -19.262 -9.507 176 1HB GLU 24 1HB GLU 24 7.421 -21.665 -10.328 177 2HB GLU 24 2HB GLU 24 6.656 -20.478 -11.375 178 1HG GLU 24 1HG GLU 24 8.199 -18.766 -10.325 179 2HG GLU 24 2HG GLU 24 9.073 -20.132 -9.634 180 H ARG 25 H ARG 25 4.358 -20.343 -7.574 181 HA ARG 25 HA ARG 25 2.942 -22.538 -8.914 182 1HB ARG 25 1HB ARG 25 4.197 -23.626 -7.180 183 2HB ARG 25 2HB ARG 25 3.711 -22.418 -5.998 184 1HG ARG 25 1HG ARG 25 1.528 -23.245 -5.877 185 2HG ARG 25 2HG ARG 25 1.702 -24.163 -7.374 186 1HD ARG 25 1HD ARG 25 3.000 -25.806 -6.361 187 2HD ARG 25 2HD ARG 25 3.435 -24.762 -5.008 188 HE ARG 25 HE ARG 25 0.649 -25.224 -5.020 189 1HH1 ARG 25 1HH1 ARG 25 3.672 -26.813 -4.344 190 2HH1 ARG 25 2HH1 ARG 25 2.990 -27.904 -3.184 191 1HH2 ARG 25 1HH2 ARG 25 -0.261 -26.655 -3.495 192 2HH2 ARG 25 2HH2 ARG 25 0.752 -27.813 -2.702 193 H GLU 26 H GLU 26 1.105 -21.563 -9.510 194 HA GLU 26 HA GLU 26 -0.120 -19.495 -7.937 195 1HB GLU 26 1HB GLU 26 -1.187 -20.964 -10.354 196 2HB GLU 26 2HB GLU 26 -1.846 -19.483 -9.672 197 1HG GLU 26 1HG GLU 26 -0.244 -18.184 -10.581 198 2HG GLU 26 2HG GLU 26 1.005 -19.417 -10.418 199 H GLU 27 H GLU 27 -1.845 -19.623 -6.598 200 HA GLU 27 HA GLU 27 -3.203 -22.214 -6.329 201 1HB GLU 27 1HB GLU 27 -1.337 -21.604 -4.559 202 2HB GLU 27 2HB GLU 27 -2.622 -20.621 -3.871 203 1HG GLU 27 1HG GLU 27 -3.981 -22.494 -3.460 204 2HG GLU 27 2HG GLU 27 -2.993 -23.533 -4.484 205 H CYS 28 H CYS 28 -4.960 -21.297 -7.462 206 HA CYS 28 HA CYS 28 -6.228 -18.885 -6.772 207 1HB CYS 28 1HB CYS 28 -7.561 -21.310 -7.986 208 2HB CYS 28 2HB CYS 28 -8.058 -19.628 -8.142 209 H LYS 29 H LYS 29 -6.569 -18.686 -4.585 210 HA LYS 29 HA LYS 29 -8.500 -20.574 -3.402 211 1HB LYS 29 1HB LYS 29 -7.541 -19.939 -1.198 212 2HB LYS 29 2HB LYS 29 -6.387 -20.747 -2.251 213 1HG LYS 29 1HG LYS 29 -4.994 -19.078 -1.815 214 2HG LYS 29 2HG LYS 29 -6.035 -18.060 -2.813 215 1HD LYS 29 1HD LYS 29 -5.714 -16.965 -0.706 216 2HD LYS 29 2HD LYS 29 -7.377 -17.553 -0.772 217 1HE LYS 29 1HE LYS 29 -6.942 -18.431 1.242 218 2HE LYS 29 2HE LYS 29 -6.069 -19.673 0.346 219 1HZ LYS 29 1HZ LYS 29 -4.197 -17.789 0.562 220 2HZ LYS 29 2HZ LYS 29 -4.390 -19.046 1.677 221 3HZ LYS 29 3HZ LYS 29 -5.048 -17.522 2.000 222 H CYS 30 H CYS 30 -10.242 -19.757 -2.279 223 HA CYS 30 HA CYS 30 -11.357 -17.358 -3.104 224 1HB CYS 30 1HB CYS 30 -11.979 -18.678 -0.462 225 2HB CYS 30 2HB CYS 30 -13.057 -17.715 -1.467 226 H LEU 31 H LEU 31 -11.604 -15.330 -2.160 227 HA LEU 31 HA LEU 31 -9.383 -14.210 -0.926 228 1HB LEU 31 1HB LEU 31 -12.227 -13.216 -0.834 229 2HB LEU 31 2HB LEU 31 -10.786 -12.257 -0.506 230 HG LEU 31 HG LEU 31 -10.926 -13.554 -3.160 231 1HD1 LEU 31 1HD1 LEU 31 -12.895 -11.536 -2.204 232 2HD1 LEU 31 2HD1 LEU 31 -13.107 -12.878 -3.328 233 3HD1 LEU 31 3HD1 LEU 31 -12.275 -11.415 -3.851 234 1HD2 LEU 31 1HD2 LEU 31 -9.723 -11.681 -3.845 235 2HD2 LEU 31 2HD2 LEU 31 -9.126 -11.981 -2.212 236 3HD2 LEU 31 3HD2 LEU 31 -10.303 -10.697 -2.500 237 H LEU 32 H LEU 32 -9.772 -12.826 1.217 238 HA LEU 32 HA LEU 32 -9.934 -14.762 3.322 239 1HB LEU 32 1HB LEU 32 -9.562 -12.738 4.784 240 2HB LEU 32 2HB LEU 32 -8.307 -13.093 3.598 241 HG LEU 32 HG LEU 32 -10.349 -11.179 2.699 242 1HD1 LEU 32 1HD1 LEU 32 -8.335 -10.053 4.567 243 2HD1 LEU 32 2HD1 LEU 32 -9.785 -10.785 5.252 244 3HD1 LEU 32 3HD1 LEU 32 -9.928 -9.445 4.114 245 1HD2 LEU 32 1HD2 LEU 32 -7.470 -10.545 2.737 246 2HD2 LEU 32 2HD2 LEU 32 -8.651 -10.397 1.436 247 3HD2 LEU 32 3HD2 LEU 32 -7.937 -11.968 1.805 248 H ASN 33 H ASN 33 -12.255 -13.054 1.680 249 HA ASN 33 HA ASN 33 -14.058 -12.950 4.002 250 1HB ASN 33 1HB ASN 33 -14.454 -11.637 1.307 251 2HB ASN 33 2HB ASN 33 -15.402 -11.371 2.767 252 1HD2 ASN 33 1HD2 ASN 33 -12.587 -10.548 1.012 253 2HD2 ASN 33 2HD2 ASN 33 -11.973 -9.364 2.111 254 H TYR 34 H TYR 34 -13.340 -15.369 2.508 255 HA TYR 34 HA TYR 34 -16.057 -16.157 1.722 256 1HB TYR 34 1HB TYR 34 -13.512 -16.690 0.191 257 2HB TYR 34 2HB TYR 34 -14.988 -17.615 -0.063 258 HD1 TYR 34 HD1 TYR 34 -13.798 -14.074 0.022 259 HD2 TYR 34 HD2 TYR 34 -16.473 -16.906 -1.689 260 HE1 TYR 34 HE1 TYR 34 -14.591 -12.363 -1.557 261 HE2 TYR 34 HE2 TYR 34 -17.273 -15.203 -3.273 262 HH TYR 34 HH TYR 34 -15.678 -12.350 -3.865 263 H LYS 35 H LYS 35 -16.432 -17.292 3.585 264 HA LYS 35 HA LYS 35 -14.667 -18.938 4.955 265 1HB LYS 35 1HB LYS 35 -17.645 -19.380 4.695 266 2HB LYS 35 2HB LYS 35 -16.608 -19.930 6.004 267 1HG LYS 35 1HG LYS 35 -16.146 -17.548 6.554 268 2HG LYS 35 2HG LYS 35 -17.342 -17.088 5.340 269 1HD LYS 35 1HD LYS 35 -18.519 -17.065 7.368 270 2HD LYS 35 2HD LYS 35 -18.960 -18.600 6.617 271 1HE LYS 35 1HE LYS 35 -18.511 -19.089 8.883 272 2HE LYS 35 2HE LYS 35 -17.106 -19.649 7.979 273 1HZ LYS 35 1HZ LYS 35 -15.796 -17.979 8.800 274 2HZ LYS 35 2HZ LYS 35 -16.806 -18.249 10.130 275 3HZ LYS 35 3HZ LYS 35 -17.093 -16.936 9.104 276 H GLN 36 H GLN 36 -16.403 -19.503 2.011 277 HA GLN 36 HA GLN 36 -16.391 -21.219 0.518 278 1HB GLN 36 1HB GLN 36 -13.881 -20.984 1.036 279 2HB GLN 36 2HB GLN 36 -14.084 -22.420 2.030 280 1HG GLN 36 1HG GLN 36 -15.163 -23.394 -0.150 281 2HG GLN 36 2HG GLN 36 -14.220 -22.123 -0.925 282 1HE2 GLN 36 1HE2 GLN 36 -13.790 -24.823 -1.398 283 2HE2 GLN 36 2HE2 GLN 36 -12.239 -25.260 -0.775 284 H GLU 37 H GLU 37 -18.213 -22.358 0.830 285 HA GLU 37 HA GLU 37 -18.978 -23.780 3.071 286 1HB GLU 37 1HB GLU 37 -20.527 -23.254 1.268 287 2HB GLU 37 2HB GLU 37 -19.663 -24.329 0.179 288 1HG GLU 37 1HG GLU 37 -20.247 -26.219 1.691 289 2HG GLU 37 2HG GLU 37 -21.250 -25.100 2.613 290 H GLY 38 H GLY 38 -17.563 -25.161 0.095 291 1HA GLY 38 1HA GLY 38 -15.886 -26.952 1.543 292 2HA GLY 38 2HA GLY 38 -17.313 -27.781 0.939 293 H ASP 39 H ASP 39 -17.767 -27.070 -1.487 294 HA ASP 39 HA ASP 39 -15.215 -27.405 -2.923 295 1HB ASP 39 1HB ASP 39 -17.938 -28.582 -3.400 296 2HB ASP 39 2HB ASP 39 -16.785 -28.430 -4.722 297 H LYS 40 H LYS 40 -16.725 -24.929 -2.160 298 HA LYS 40 HA LYS 40 -16.413 -23.563 -4.652 299 1HB LYS 40 1HB LYS 40 -18.798 -22.657 -4.616 300 2HB LYS 40 2HB LYS 40 -18.583 -24.303 -5.199 301 1HG LYS 40 1HG LYS 40 -19.523 -25.237 -3.296 302 2HG LYS 40 2HG LYS 40 -19.262 -23.780 -2.333 303 1HD LYS 40 1HD LYS 40 -21.095 -23.763 -4.709 304 2HD LYS 40 2HD LYS 40 -21.655 -24.319 -3.129 305 1HE LYS 40 1HE LYS 40 -21.294 -22.215 -2.145 306 2HE LYS 40 2HE LYS 40 -20.294 -21.665 -3.489 307 1HZ LYS 40 1HZ LYS 40 -22.256 -20.620 -3.946 308 2HZ LYS 40 2HZ LYS 40 -23.214 -21.857 -3.304 309 3HZ LYS 40 3HZ LYS 40 -22.488 -22.050 -4.820 310 H CYS 41 H CYS 41 -16.684 -21.235 -4.436 311 HA CYS 41 HA CYS 41 -15.950 -20.358 -1.769 312 1HB CYS 41 1HB CYS 41 -16.104 -18.857 -4.392 313 2HB CYS 41 2HB CYS 41 -15.508 -18.180 -2.880 314 H VAL 42 H VAL 42 -17.061 -18.873 -0.527 315 HA VAL 42 HA VAL 42 -19.690 -17.988 -1.477 316 HB VAL 42 HB VAL 42 -20.555 -18.512 0.889 317 1HG1 VAL 42 1HG1 VAL 42 -20.381 -20.096 -1.499 318 2HG1 VAL 42 2HG1 VAL 42 -20.435 -21.141 -0.078 319 3HG1 VAL 42 3HG1 VAL 42 -21.709 -19.951 -0.348 320 1HG2 VAL 42 1HG2 VAL 42 -19.489 -20.462 1.956 321 2HG2 VAL 42 2HG2 VAL 42 -18.179 -20.369 0.779 322 3HG2 VAL 42 3HG2 VAL 42 -18.431 -19.051 1.923 323 H GLU 43 H GLU 43 -19.588 -15.844 -1.373 324 HA GLU 43 HA GLU 43 -17.827 -14.423 0.338 325 1HB GLU 43 1HB GLU 43 -19.131 -12.414 -0.445 326 2HB GLU 43 2HB GLU 43 -18.433 -13.398 -1.723 327 1HG GLU 43 1HG GLU 43 -20.419 -13.629 -2.654 328 2HG GLU 43 2HG GLU 43 -21.042 -14.374 -1.183 329 H ASN 44 H ASN 44 -18.300 -15.143 2.447 330 HA ASN 44 HA ASN 44 -19.336 -15.151 4.477 331 1HB ASN 44 1HB ASN 44 -18.906 -12.776 4.366 332 2HB ASN 44 2HB ASN 44 -20.344 -12.519 3.381 333 1HD2 ASN 44 1HD2 ASN 44 -19.848 -14.454 6.302 334 2HD2 ASN 44 2HD2 ASN 44 -21.036 -13.637 7.254 335 HA PRO 45 HA PRO 45 -23.288 -16.793 2.694 336 1HB PRO 45 1HB PRO 45 -23.052 -19.243 3.839 337 2HB PRO 45 2HB PRO 45 -22.324 -18.837 2.281 338 1HG PRO 45 1HG PRO 45 -21.062 -18.936 4.993 339 2HG PRO 45 2HG PRO 45 -20.433 -19.528 3.445 340 1HD PRO 45 1HD PRO 45 -19.646 -17.177 4.533 341 2HD PRO 45 2HD PRO 45 -19.745 -17.431 2.779 342 H ASN 46 H ASN 46 -21.940 -16.326 5.811 343 HA ASN 46 HA ASN 46 -24.609 -16.603 7.029 344 1HB ASN 46 1HB ASN 46 -22.025 -16.780 8.569 345 2HB ASN 46 2HB ASN 46 -23.633 -17.297 9.068 346 1HD2 ASN 46 1HD2 ASN 46 -20.887 -18.603 8.629 347 2HD2 ASN 46 2HD2 ASN 46 -21.272 -20.044 7.756 348 HA PRO 47 HA PRO 47 -23.271 -12.143 7.202 349 1HB PRO 47 1HB PRO 47 -25.629 -11.146 6.297 350 2HB PRO 47 2HB PRO 47 -24.321 -11.648 5.219 351 1HG PRO 47 1HG PRO 47 -26.799 -13.131 6.009 352 2HG PRO 47 2HG PRO 47 -26.047 -12.980 4.410 353 1HD PRO 47 1HD PRO 47 -25.736 -15.175 5.966 354 2HD PRO 47 2HD PRO 47 -24.471 -14.601 4.860 355 H THR 48 H THR 48 -23.295 -12.419 9.498 356 HA THR 48 HA THR 48 -25.834 -11.572 10.720 357 HB THR 48 HB THR 48 -25.557 -13.945 11.217 358 HG1 THR 48 HG1 THR 48 -25.463 -13.689 13.575 359 1HG2 THR 48 1HG2 THR 48 -23.258 -14.371 11.048 360 2HG2 THR 48 2HG2 THR 48 -23.596 -14.537 12.771 361 3HG2 THR 48 3HG2 THR 48 -22.843 -13.066 12.158 362 1HN NH2 49 1HN THR 49 -24.168 -9.547 13.111 363 2HN NH2 49 2HN THR 49 -25.613 -10.440 12.775 Start of MODEL 10 1 1H ASN 1 1HT ASN 1 -4.159 -0.960 -2.064 2 HA ASN 1 HA ASN 1 -2.694 -0.303 0.113 3 1HB ASN 1 1HB ASN 1 -3.903 -2.164 1.327 4 2HB ASN 1 2HB ASN 1 -4.936 -1.067 0.415 5 1HD2 ASN 1 1HD2 ASN 1 -4.268 -4.237 1.067 6 2HD2 ASN 1 2HD2 ASN 1 -5.052 -4.971 -0.286 7 H ILE 2 H ILE 2 -2.564 -3.451 -1.537 8 HA ILE 2 HA ILE 2 0.102 -3.855 -0.362 9 HB ILE 2 HB ILE 2 -1.495 -5.273 0.846 10 1HG1 ILE 2 1HG1 ILE 2 0.035 -7.148 -0.919 11 2HG1 ILE 2 2HG1 ILE 2 0.912 -5.988 0.071 12 1HG2 ILE 2 1HG2 ILE 2 -1.993 -6.974 -1.525 13 2HG2 ILE 2 2HG2 ILE 2 -3.011 -6.656 -0.122 14 3HG2 ILE 2 3HG2 ILE 2 -2.894 -5.462 -1.414 15 1HD1 ILE 2 1HD1 ILE 2 -0.742 -8.318 0.899 16 2HD1 ILE 2 2HD1 ILE 2 0.863 -7.824 1.438 17 3HD1 ILE 2 3HD1 ILE 2 -0.562 -6.946 1.992 18 H SER 3 H SER 3 1.640 -4.434 -1.770 19 HA SER 3 HA SER 3 0.791 -5.144 -4.500 20 1HB SER 3 1HB SER 3 2.090 -2.949 -4.050 21 2HB SER 3 2HB SER 3 3.490 -3.997 -3.819 22 HG SER 3 HG SER 3 2.837 -3.092 -6.052 23 H GLN 4 H GLN 4 0.880 -7.310 -4.613 24 HA GLN 4 HA GLN 4 3.457 -8.580 -4.004 25 1HB GLN 4 1HB GLN 4 0.735 -9.400 -3.061 26 2HB GLN 4 2HB GLN 4 1.960 -10.628 -3.353 27 1HG GLN 4 1HG GLN 4 2.129 -8.325 -1.425 28 2HG GLN 4 2HG GLN 4 1.965 -10.036 -1.032 29 1HE2 GLN 4 1HE2 GLN 4 4.049 -7.885 -0.512 30 2HE2 GLN 4 2HE2 GLN 4 5.539 -8.640 -0.951 31 H HIS 5 H HIS 5 3.654 -10.752 -5.062 32 HA HIS 5 HA HIS 5 3.340 -10.573 -7.805 33 1HB HIS 5 1HB HIS 5 3.679 -13.106 -7.759 34 2HB HIS 5 2HB HIS 5 4.930 -12.125 -7.002 35 HD1 HIS 5 HD1 HIS 5 5.726 -13.850 -5.332 36 HD2 HIS 5 HD2 HIS 5 1.638 -13.143 -5.113 37 HE1 HIS 5 HE1 HIS 5 4.951 -15.025 -3.248 38 H GLN 6 H GLN 6 2.119 -12.248 -9.163 39 HA GLN 6 HA GLN 6 -0.444 -13.075 -8.127 40 1HB GLN 6 1HB GLN 6 -0.400 -10.529 -9.012 41 2HB GLN 6 2HB GLN 6 -0.718 -11.363 -10.528 42 1HG GLN 6 1HG GLN 6 -2.789 -12.034 -9.890 43 2HG GLN 6 2HG GLN 6 -2.356 -12.128 -8.184 44 1HE2 GLN 6 1HE2 GLN 6 -2.277 -9.550 -10.623 45 2HE2 GLN 6 2HE2 GLN 6 -3.181 -8.408 -9.693 46 H CYS 7 H CYS 7 -1.829 -13.864 -10.143 47 HA CYS 7 HA CYS 7 -0.208 -15.864 -11.417 48 1HB CYS 7 1HB CYS 7 -3.119 -15.277 -11.961 49 2HB CYS 7 2HB CYS 7 -2.260 -16.794 -12.212 50 H VAL 8 H VAL 8 0.589 -15.875 -13.427 51 HA VAL 8 HA VAL 8 -0.189 -13.670 -15.224 52 HB VAL 8 HB VAL 8 2.136 -13.486 -14.435 53 1HG1 VAL 8 1HG1 VAL 8 3.130 -15.736 -16.014 54 2HG1 VAL 8 2HG1 VAL 8 3.603 -15.179 -14.408 55 3HG1 VAL 8 3HG1 VAL 8 2.189 -16.215 -14.602 56 1HG2 VAL 8 1HG2 VAL 8 1.239 -13.044 -16.902 57 2HG2 VAL 8 2HG2 VAL 8 2.922 -12.777 -16.448 58 3HG2 VAL 8 3HG2 VAL 8 2.458 -14.262 -17.278 59 H LYS 9 H LYS 9 -0.067 -17.035 -14.795 60 HA LYS 9 HA LYS 9 -0.853 -17.430 -17.595 61 1HB LYS 9 1HB LYS 9 1.158 -19.069 -16.051 62 2HB LYS 9 2HB LYS 9 0.394 -19.630 -17.533 63 1HG LYS 9 1HG LYS 9 1.770 -16.993 -17.545 64 2HG LYS 9 2HG LYS 9 2.742 -18.466 -17.570 65 1HD LYS 9 1HD LYS 9 2.467 -18.255 -19.807 66 2HD LYS 9 2HD LYS 9 0.945 -19.082 -19.467 67 1HE LYS 9 1HE LYS 9 -0.302 -17.146 -19.669 68 2HE LYS 9 2HE LYS 9 1.075 -16.101 -19.323 69 1HZ LYS 9 1HZ LYS 9 0.266 -16.165 -21.699 70 2HZ LYS 9 2HZ LYS 9 0.915 -17.725 -21.792 71 3HZ LYS 9 3HZ LYS 9 1.925 -16.407 -21.470 72 H LYS 10 H LYS 10 -2.384 -17.192 -15.124 73 HA LYS 10 HA LYS 10 -3.712 -19.814 -15.213 74 1HB LYS 10 1HB LYS 10 -2.301 -19.286 -13.083 75 2HB LYS 10 2HB LYS 10 -3.636 -18.216 -12.674 76 1HG LYS 10 1HG LYS 10 -4.046 -20.265 -11.578 77 2HG LYS 10 2HG LYS 10 -5.165 -20.193 -12.941 78 1HD LYS 10 1HD LYS 10 -4.345 -22.361 -13.065 79 2HD LYS 10 2HD LYS 10 -3.319 -21.494 -14.210 80 1HE LYS 10 1HE LYS 10 -1.646 -22.484 -13.075 81 2HE LYS 10 2HE LYS 10 -1.905 -21.169 -11.929 82 1HZ LYS 10 1HZ LYS 10 -3.108 -22.547 -10.510 83 2HZ LYS 10 2HZ LYS 10 -1.827 -23.527 -11.019 84 3HZ LYS 10 3HZ LYS 10 -3.365 -23.728 -11.694 85 H GLN 11 H GLN 11 -5.985 -19.768 -14.732 86 HA GLN 11 HA GLN 11 -7.217 -17.272 -15.597 87 1HB GLN 11 1HB GLN 11 -8.077 -20.130 -15.485 88 2HB GLN 11 2HB GLN 11 -9.312 -18.878 -15.485 89 1HG GLN 11 1HG GLN 11 -7.809 -18.025 -17.534 90 2HG GLN 11 2HG GLN 11 -7.500 -19.757 -17.634 91 1HE2 GLN 11 1HE2 GLN 11 -8.896 -18.127 -19.530 92 2HE2 GLN 11 2HE2 GLN 11 -10.506 -18.744 -19.642 93 H CYS 12 H CYS 12 -8.293 -19.735 -13.262 94 HA CYS 12 HA CYS 12 -9.181 -19.571 -11.174 95 1HB CYS 12 1HB CYS 12 -7.894 -16.842 -11.023 96 2HB CYS 12 2HB CYS 12 -8.353 -17.884 -9.681 97 HA PRO 13 HA PRO 13 -12.997 -17.446 -11.597 98 1HB PRO 13 1HB PRO 13 -13.787 -17.254 -9.006 99 2HB PRO 13 2HB PRO 13 -13.791 -18.778 -9.902 100 1HG PRO 13 1HG PRO 13 -11.772 -17.730 -7.956 101 2HG PRO 13 2HG PRO 13 -12.437 -19.367 -8.105 102 1HD PRO 13 1HD PRO 13 -10.006 -18.688 -9.085 103 2HD PRO 13 2HD PRO 13 -11.037 -19.912 -9.853 104 H GLN 14 H GLN 14 -14.224 -15.505 -10.836 105 HA GLN 14 HA GLN 14 -12.377 -13.272 -10.521 106 1HB GLN 14 1HB GLN 14 -14.514 -13.585 -12.153 107 2HB GLN 14 2HB GLN 14 -15.272 -12.748 -10.805 108 1HG GLN 14 1HG GLN 14 -13.199 -11.148 -11.076 109 2HG GLN 14 2HG GLN 14 -13.208 -11.797 -12.715 110 1HE2 GLN 14 1HE2 GLN 14 -15.649 -10.731 -10.363 111 2HE2 GLN 14 2HE2 GLN 14 -16.507 -9.711 -11.462 112 H ASN 15 H ASN 15 -14.004 -15.242 -8.490 113 HA ASN 15 HA ASN 15 -14.576 -13.099 -6.553 114 1HB ASN 15 1HB ASN 15 -15.712 -15.874 -6.868 115 2HB ASN 15 2HB ASN 15 -15.895 -14.959 -5.374 116 1HD2 ASN 15 1HD2 ASN 15 -17.182 -13.119 -5.353 117 2HD2 ASN 15 2HD2 ASN 15 -18.321 -12.783 -6.608 118 H SER 16 H SER 16 -11.980 -14.482 -7.234 119 HA SER 16 HA SER 16 -11.267 -15.158 -4.471 120 1HB SER 16 1HB SER 16 -10.371 -16.758 -6.880 121 2HB SER 16 2HB SER 16 -9.909 -17.051 -5.203 122 HG SER 16 HG SER 16 -12.599 -17.078 -6.088 123 H GLY 17 H GLY 17 -8.800 -15.264 -4.246 124 1HA GLY 17 1HA GLY 17 -7.611 -13.136 -5.919 125 2HA GLY 17 2HA GLY 17 -7.330 -13.259 -4.189 126 H CYS 18 H CYS 18 -7.068 -15.313 -7.094 127 HA CYS 18 HA CYS 18 -5.236 -17.140 -6.183 128 1HB CYS 18 1HB CYS 18 -4.844 -17.713 -8.405 129 2HB CYS 18 2HB CYS 18 -6.420 -16.932 -8.490 130 H PHE 19 H PHE 19 -2.902 -17.337 -6.791 131 HA PHE 19 HA PHE 19 -1.307 -15.071 -7.304 132 1HB PHE 19 1HB PHE 19 -0.400 -14.548 -5.172 133 2HB PHE 19 2HB PHE 19 -2.148 -14.559 -4.962 134 HD1 PHE 19 HD1 PHE 19 -3.062 -17.039 -4.357 135 HD2 PHE 19 HD2 PHE 19 0.811 -15.502 -3.488 136 HE1 PHE 19 HE1 PHE 19 -2.833 -18.663 -2.523 137 HE2 PHE 19 HE2 PHE 19 1.047 -17.124 -1.653 138 HZ PHE 19 HZ PHE 19 -0.776 -18.708 -1.169 139 H ARG 20 H ARG 20 0.763 -15.656 -7.774 140 HA ARG 20 HA ARG 20 1.334 -18.500 -7.753 141 1HB ARG 20 1HB ARG 20 1.752 -16.796 -9.686 142 2HB ARG 20 2HB ARG 20 3.217 -16.411 -8.792 143 1HG ARG 20 1HG ARG 20 4.242 -18.287 -9.435 144 2HG ARG 20 2HG ARG 20 2.801 -19.273 -9.181 145 1HD ARG 20 1HD ARG 20 2.496 -19.354 -11.378 146 2HD ARG 20 2HD ARG 20 2.278 -17.605 -11.394 147 HE ARG 20 HE ARG 20 4.956 -17.855 -11.413 148 1HH1 ARG 20 1HH1 ARG 20 2.444 -19.319 -13.328 149 2HH1 ARG 20 2HH1 ARG 20 3.434 -19.479 -14.741 150 1HH2 ARG 20 1HH2 ARG 20 6.269 -18.060 -13.267 151 2HH2 ARG 20 2HH2 ARG 20 5.610 -18.763 -14.705 152 H HIS 21 H HIS 21 2.226 -19.365 -6.003 153 HA HIS 21 HA HIS 21 3.471 -17.992 -3.928 154 1HB HIS 21 1HB HIS 21 3.253 -20.827 -4.758 155 2HB HIS 21 2HB HIS 21 4.570 -20.443 -3.654 156 HD1 HIS 21 HD1 HIS 21 3.667 -18.971 -1.458 157 HD2 HIS 21 HD2 HIS 21 0.949 -21.383 -3.471 158 HE1 HIS 21 HE1 HIS 21 1.771 -19.336 0.153 159 H LEU 22 H LEU 22 5.826 -18.764 -3.224 160 HA LEU 22 HA LEU 22 7.607 -17.471 -5.024 161 1HB LEU 22 1HB LEU 22 7.975 -18.962 -2.446 162 2HB LEU 22 2HB LEU 22 9.350 -18.350 -3.362 163 HG LEU 22 HG LEU 22 8.854 -16.802 -1.608 164 1HD1 LEU 22 1HD1 LEU 22 9.463 -15.915 -3.859 165 2HD1 LEU 22 2HD1 LEU 22 8.562 -14.785 -2.849 166 3HD1 LEU 22 3HD1 LEU 22 7.746 -15.642 -4.157 167 1HD2 LEU 22 1HD2 LEU 22 6.056 -16.599 -2.712 168 2HD2 LEU 22 2HD2 LEU 22 6.708 -15.770 -1.298 169 3HD2 LEU 22 3HD2 LEU 22 6.500 -17.522 -1.276 170 H ASP 23 H ASP 23 6.629 -20.740 -4.565 171 HA ASP 23 HA ASP 23 8.908 -21.769 -6.084 172 1HB ASP 23 1HB ASP 23 7.938 -22.880 -3.957 173 2HB ASP 23 2HB ASP 23 6.648 -23.440 -5.017 174 H GLU 24 H GLU 24 6.782 -20.075 -7.259 175 HA GLU 24 HA GLU 24 5.556 -19.941 -9.171 176 1HB GLU 24 1HB GLU 24 6.805 -22.554 -9.999 177 2HB GLU 24 2HB GLU 24 6.240 -21.247 -11.029 178 1HG GLU 24 1HG GLU 24 8.059 -19.836 -9.901 179 2HG GLU 24 2HG GLU 24 8.715 -21.378 -9.353 180 H ARG 25 H ARG 25 4.315 -21.140 -6.944 181 HA ARG 25 HA ARG 25 2.585 -23.153 -8.224 182 1HB ARG 25 1HB ARG 25 3.656 -24.141 -6.334 183 2HB ARG 25 2HB ARG 25 3.317 -22.739 -5.328 184 1HG ARG 25 1HG ARG 25 1.214 -23.404 -4.869 185 2HG ARG 25 2HG ARG 25 0.968 -24.098 -6.474 186 1HD ARG 25 1HD ARG 25 2.592 -25.320 -4.244 187 2HD ARG 25 2HD ARG 25 0.977 -25.823 -4.740 188 HE ARG 25 HE ARG 25 2.759 -25.912 -6.936 189 1HH1 ARG 25 1HH1 ARG 25 1.942 -27.591 -3.998 190 2HH1 ARG 25 2HH1 ARG 25 2.494 -29.130 -4.570 191 1HH2 ARG 25 1HH2 ARG 25 3.490 -27.933 -7.700 192 2HH2 ARG 25 2HH2 ARG 25 3.375 -29.323 -6.676 193 H GLU 26 H GLU 26 0.890 -22.066 -9.034 194 HA GLU 26 HA GLU 26 -0.213 -19.750 -7.741 195 1HB GLU 26 1HB GLU 26 -1.490 -21.306 -9.983 196 2HB GLU 26 2HB GLU 26 -1.695 -19.605 -9.588 197 1HG GLU 26 1HG GLU 26 -0.253 -19.299 -11.271 198 2HG GLU 26 2HG GLU 26 0.958 -19.673 -10.046 199 H GLU 27 H GLU 27 -1.937 -19.614 -6.424 200 HA GLU 27 HA GLU 27 -3.559 -22.032 -6.004 201 1HB GLU 27 1HB GLU 27 -1.713 -21.268 -4.199 202 2HB GLU 27 2HB GLU 27 -3.069 -20.288 -3.658 203 1HG GLU 27 1HG GLU 27 -4.405 -22.488 -3.734 204 2HG GLU 27 2HG GLU 27 -2.823 -23.265 -3.766 205 H CYS 28 H CYS 28 -5.294 -21.249 -7.161 206 HA CYS 28 HA CYS 28 -6.351 -18.626 -6.798 207 1HB CYS 28 1HB CYS 28 -7.835 -20.998 -7.928 208 2HB CYS 28 2HB CYS 28 -8.099 -19.292 -8.275 209 H LYS 29 H LYS 29 -6.476 -18.632 -4.448 210 HA LYS 29 HA LYS 29 -8.730 -20.169 -3.362 211 1HB LYS 29 1HB LYS 29 -7.822 -19.764 -1.184 212 2HB LYS 29 2HB LYS 29 -6.503 -20.298 -2.218 213 1HG LYS 29 1HG LYS 29 -5.809 -17.953 -2.500 214 2HG LYS 29 2HG LYS 29 -7.094 -17.462 -1.394 215 1HD LYS 29 1HD LYS 29 -5.246 -19.567 -0.439 216 2HD LYS 29 2HD LYS 29 -4.580 -17.940 -0.599 217 1HE LYS 29 1HE LYS 29 -6.139 -17.043 0.922 218 2HE LYS 29 2HE LYS 29 -7.160 -18.479 0.845 219 1HZ LYS 29 1HZ LYS 29 -5.528 -19.727 2.027 220 2HZ LYS 29 2HZ LYS 29 -5.814 -18.306 2.898 221 3HZ LYS 29 3HZ LYS 29 -4.411 -18.458 1.964 222 H CYS 30 H CYS 30 -10.462 -19.182 -2.374 223 HA CYS 30 HA CYS 30 -11.368 -16.757 -3.345 224 1HB CYS 30 1HB CYS 30 -12.165 -17.894 -0.663 225 2HB CYS 30 2HB CYS 30 -13.139 -16.903 -1.745 226 H LEU 31 H LEU 31 -11.562 -14.677 -2.461 227 HA LEU 31 HA LEU 31 -9.293 -13.623 -1.248 228 1HB LEU 31 1HB LEU 31 -12.092 -12.505 -1.299 229 2HB LEU 31 2HB LEU 31 -10.642 -11.592 -0.884 230 HG LEU 31 HG LEU 31 -10.616 -12.912 -3.523 231 1HD1 LEU 31 1HD1 LEU 31 -12.607 -10.815 -2.771 232 2HD1 LEU 31 2HD1 LEU 31 -12.807 -12.235 -3.796 233 3HD1 LEU 31 3HD1 LEU 31 -11.908 -10.840 -4.390 234 1HD2 LEU 31 1HD2 LEU 31 -10.080 -10.095 -3.472 235 2HD2 LEU 31 2HD2 LEU 31 -8.989 -11.434 -3.828 236 3HD2 LEU 31 3HD2 LEU 31 -9.214 -10.898 -2.162 237 H LEU 32 H LEU 32 -9.681 -12.111 0.829 238 HA LEU 32 HA LEU 32 -9.961 -13.953 3.010 239 1HB LEU 32 1HB LEU 32 -9.163 -11.107 2.694 240 2HB LEU 32 2HB LEU 32 -9.677 -11.654 4.289 241 HG LEU 32 HG LEU 32 -7.246 -11.693 4.057 242 1HD1 LEU 32 1HD1 LEU 32 -6.872 -13.917 4.881 243 2HD1 LEU 32 2HD1 LEU 32 -8.375 -14.485 4.156 244 3HD1 LEU 32 3HD1 LEU 32 -8.421 -13.337 5.493 245 1HD2 LEU 32 1HD2 LEU 32 -7.640 -12.415 1.491 246 2HD2 LEU 32 2HD2 LEU 32 -7.267 -13.985 2.204 247 3HD2 LEU 32 3HD2 LEU 32 -6.120 -12.653 2.355 248 H ASN 33 H ASN 33 -12.170 -12.236 1.251 249 HA ASN 33 HA ASN 33 -14.004 -11.951 3.537 250 1HB ASN 33 1HB ASN 33 -14.318 -10.674 0.817 251 2HB ASN 33 2HB ASN 33 -15.203 -10.293 2.292 252 1HD2 ASN 33 1HD2 ASN 33 -12.240 -9.911 0.544 253 2HD2 ASN 33 2HD2 ASN 33 -11.563 -8.682 1.552 254 H TYR 34 H TYR 34 -13.420 -14.445 2.161 255 HA TYR 34 HA TYR 34 -16.150 -15.076 1.291 256 1HB TYR 34 1HB TYR 34 -13.596 -15.796 -0.143 257 2HB TYR 34 2HB TYR 34 -15.107 -16.657 -0.413 258 HD1 TYR 34 HD1 TYR 34 -13.738 -13.182 -0.411 259 HD2 TYR 34 HD2 TYR 34 -16.519 -15.927 -2.095 260 HE1 TYR 34 HE1 TYR 34 -14.401 -11.486 -2.065 261 HE2 TYR 34 HE2 TYR 34 -17.188 -14.239 -3.755 262 HH TYR 34 HH TYR 34 -15.755 -10.988 -3.750 263 H LYS 35 H LYS 35 -16.901 -16.472 2.732 264 HA LYS 35 HA LYS 35 -15.151 -18.172 4.262 265 1HB LYS 35 1HB LYS 35 -18.168 -18.230 4.206 266 2HB LYS 35 2HB LYS 35 -17.109 -18.817 5.482 267 1HG LYS 35 1HG LYS 35 -17.196 -15.925 4.684 268 2HG LYS 35 2HG LYS 35 -18.297 -16.612 5.881 269 1HD LYS 35 1HD LYS 35 -16.575 -15.818 7.205 270 2HD LYS 35 2HD LYS 35 -16.118 -17.509 6.983 271 1HE LYS 35 1HE LYS 35 -14.304 -16.988 5.748 272 2HE LYS 35 2HE LYS 35 -15.115 -15.653 4.932 273 1HZ LYS 35 1HZ LYS 35 -14.464 -14.175 6.500 274 2HZ LYS 35 2HZ LYS 35 -13.187 -15.271 6.674 275 3HZ LYS 35 3HZ LYS 35 -14.484 -15.304 7.760 276 H GLN 36 H GLN 36 -14.229 -19.517 2.666 277 HA GLN 36 HA GLN 36 -15.500 -20.985 0.723 278 1HB GLN 36 1HB GLN 36 -12.979 -20.815 1.374 279 2HB GLN 36 2HB GLN 36 -13.314 -22.243 2.344 280 1HG GLN 36 1HG GLN 36 -13.537 -23.589 0.544 281 2HG GLN 36 2HG GLN 36 -14.217 -22.313 -0.465 282 1HE2 GLN 36 1HE2 GLN 36 -12.924 -22.554 -2.212 283 2HE2 GLN 36 2HE2 GLN 36 -11.218 -22.282 -2.198 284 H GLU 37 H GLU 37 -17.365 -22.040 1.056 285 HA GLU 37 HA GLU 37 -18.084 -23.346 3.450 286 1HB GLU 37 1HB GLU 37 -19.712 -22.534 1.771 287 2HB GLU 37 2HB GLU 37 -19.176 -23.792 0.666 288 1HG GLU 37 1HG GLU 37 -19.872 -25.474 2.382 289 2HG GLU 37 2HG GLU 37 -20.588 -24.148 3.295 290 H GLY 38 H GLY 38 -17.129 -24.708 0.291 291 1HA GLY 38 1HA GLY 38 -15.662 -26.827 1.576 292 2HA GLY 38 2HA GLY 38 -17.156 -27.375 0.831 293 H ASP 39 H ASP 39 -17.359 -26.145 -1.487 294 HA ASP 39 HA ASP 39 -14.793 -26.356 -2.879 295 1HB ASP 39 1HB ASP 39 -17.278 -27.939 -3.541 296 2HB ASP 39 2HB ASP 39 -15.966 -27.693 -4.691 297 H LYS 40 H LYS 40 -16.414 -24.091 -2.176 298 HA LYS 40 HA LYS 40 -16.541 -22.830 -4.740 299 1HB LYS 40 1HB LYS 40 -18.957 -22.137 -4.485 300 2HB LYS 40 2HB LYS 40 -18.695 -23.821 -4.920 301 1HG LYS 40 1HG LYS 40 -19.278 -24.584 -2.791 302 2HG LYS 40 2HG LYS 40 -19.085 -22.986 -2.068 303 1HD LYS 40 1HD LYS 40 -21.115 -23.355 -4.220 304 2HD LYS 40 2HD LYS 40 -21.473 -23.958 -2.600 305 1HE LYS 40 1HE LYS 40 -21.175 -21.774 -1.657 306 2HE LYS 40 2HE LYS 40 -20.586 -21.139 -3.192 307 1HZ LYS 40 1HZ LYS 40 -23.268 -21.451 -2.276 308 2HZ LYS 40 2HZ LYS 40 -23.039 -22.204 -3.773 309 3HZ LYS 40 3HZ LYS 40 -22.678 -20.562 -3.589 310 H CYS 41 H CYS 41 -16.930 -20.529 -4.589 311 HA CYS 41 HA CYS 41 -16.081 -19.484 -1.999 312 1HB CYS 41 1HB CYS 41 -16.247 -18.198 -4.732 313 2HB CYS 41 2HB CYS 41 -15.704 -17.367 -3.277 314 H VAL 42 H VAL 42 -17.142 -17.771 -0.946 315 HA VAL 42 HA VAL 42 -19.730 -16.892 -1.913 316 HB VAL 42 HB VAL 42 -20.811 -17.499 0.307 317 1HG1 VAL 42 1HG1 VAL 42 -21.744 -19.341 -0.643 318 2HG1 VAL 42 2HG1 VAL 42 -20.883 -18.726 -2.055 319 3HG1 VAL 42 3HG1 VAL 42 -20.188 -20.033 -1.097 320 1HG2 VAL 42 1HG2 VAL 42 -19.095 -19.833 0.627 321 2HG2 VAL 42 2HG2 VAL 42 -18.272 -18.313 0.974 322 3HG2 VAL 42 3HG2 VAL 42 -19.748 -18.733 1.841 323 H GLU 43 H GLU 43 -19.372 -14.764 -1.761 324 HA GLU 43 HA GLU 43 -17.719 -13.520 0.147 325 1HB GLU 43 1HB GLU 43 -18.877 -11.409 -0.611 326 2HB GLU 43 2HB GLU 43 -18.134 -12.364 -1.887 327 1HG GLU 43 1HG GLU 43 -20.061 -12.531 -2.954 328 2HG GLU 43 2HG GLU 43 -20.847 -13.195 -1.523 329 H ASN 44 H ASN 44 -18.256 -14.099 2.229 330 HA ASN 44 HA ASN 44 -19.383 -14.115 4.210 331 1HB ASN 44 1HB ASN 44 -19.044 -11.660 3.826 332 2HB ASN 44 2HB ASN 44 -20.663 -11.594 3.135 333 1HD2 ASN 44 1HD2 ASN 44 -19.117 -12.983 6.017 334 2HD2 ASN 44 2HD2 ASN 44 -20.295 -12.396 7.137 335 HA PRO 45 HA PRO 45 -23.159 -16.026 2.389 336 1HB PRO 45 1HB PRO 45 -22.970 -18.303 3.856 337 2HB PRO 45 2HB PRO 45 -22.112 -18.070 2.328 338 1HG PRO 45 1HG PRO 45 -21.101 -17.783 5.131 339 2HG PRO 45 2HG PRO 45 -20.319 -18.542 3.732 340 1HD PRO 45 1HD PRO 45 -19.692 -16.046 4.575 341 2HD PRO 45 2HD PRO 45 -19.624 -16.522 2.866 342 H ASN 46 H ASN 46 -22.073 -15.963 5.770 343 HA ASN 46 HA ASN 46 -24.656 -14.933 6.588 344 1HB ASN 46 1HB ASN 46 -23.700 -17.676 7.263 345 2HB ASN 46 2HB ASN 46 -24.530 -16.761 8.518 346 1HD2 ASN 46 1HD2 ASN 46 -25.107 -19.112 6.550 347 2HD2 ASN 46 2HD2 ASN 46 -26.720 -18.774 6.033 348 HA PRO 47 HA PRO 47 -22.304 -12.753 9.581 349 1HB PRO 47 1HB PRO 47 -23.996 -12.654 11.701 350 2HB PRO 47 2HB PRO 47 -24.252 -11.719 10.223 351 1HG PRO 47 1HG PRO 47 -25.500 -14.305 11.068 352 2HG PRO 47 2HG PRO 47 -26.259 -12.891 10.314 353 1HD PRO 47 1HD PRO 47 -25.590 -15.108 8.910 354 2HD PRO 47 2HD PRO 47 -25.550 -13.481 8.201 355 H THR 48 H THR 48 -23.809 -15.728 10.777 356 HA THR 48 HA THR 48 -21.737 -15.986 12.825 357 HB THR 48 HB THR 48 -23.100 -18.022 13.512 358 HG1 THR 48 HG1 THR 48 -24.259 -18.248 11.533 359 1HG2 THR 48 1HG2 THR 48 -24.131 -15.207 13.612 360 2HG2 THR 48 2HG2 THR 48 -23.370 -16.159 14.887 361 3HG2 THR 48 3HG2 THR 48 -25.020 -16.520 14.381 362 1HN NH2 49 1HN THR 49 -20.450 -19.203 11.768 363 2HN NH2 49 2HN THR 49 -21.013 -18.382 13.185 Start of MODEL 11 1 1H ASN 1 1HT ASN 1 4.774 1.433 1.071 2 HA ASN 1 HA ASN 1 3.393 0.863 -1.168 3 1HB ASN 1 1HB ASN 1 6.303 1.678 -1.031 4 2HB ASN 1 2HB ASN 1 5.312 1.770 -2.484 5 1HD2 ASN 1 1HD2 ASN 1 6.383 3.406 0.208 6 2HD2 ASN 1 2HD2 ASN 1 5.263 4.722 0.186 7 H ILE 2 H ILE 2 4.008 -1.647 0.045 8 HA ILE 2 HA ILE 2 5.936 -3.062 -1.506 9 HB ILE 2 HB ILE 2 4.981 -5.091 -0.525 10 1HG1 ILE 2 1HG1 ILE 2 3.137 -4.448 1.313 11 2HG1 ILE 2 2HG1 ILE 2 2.756 -3.223 0.108 12 1HG2 ILE 2 1HG2 ILE 2 5.199 -4.363 1.926 13 2HG2 ILE 2 2HG2 ILE 2 6.574 -4.092 0.857 14 3HG2 ILE 2 3HG2 ILE 2 5.507 -2.752 1.277 15 1HD1 ILE 2 1HD1 ILE 2 1.701 -5.696 0.143 16 2HD1 ILE 2 2HD1 ILE 2 1.878 -4.718 -1.314 17 3HD1 ILE 2 3HD1 ILE 2 3.078 -5.952 -0.928 18 H SER 3 H SER 3 5.235 -5.086 -2.744 19 HA SER 3 HA SER 3 2.883 -4.487 -4.413 20 1HB SER 3 1HB SER 3 4.932 -3.891 -5.635 21 2HB SER 3 2HB SER 3 5.563 -5.518 -5.379 22 HG SER 3 HG SER 3 4.446 -6.145 -7.032 23 H GLN 4 H GLN 4 1.450 -6.076 -4.405 24 HA GLN 4 HA GLN 4 2.247 -8.717 -3.455 25 1HB GLN 4 1HB GLN 4 0.250 -7.532 -2.504 26 2HB GLN 4 2HB GLN 4 -0.530 -7.701 -4.071 27 1HG GLN 4 1HG GLN 4 -1.389 -9.471 -2.864 28 2HG GLN 4 2HG GLN 4 -0.084 -10.215 -3.786 29 1HE2 GLN 4 1HE2 GLN 4 -1.148 -11.357 -1.494 30 2HE2 GLN 4 2HE2 GLN 4 0.055 -11.351 -0.255 31 H HIS 5 H HIS 5 2.870 -10.164 -4.906 32 HA HIS 5 HA HIS 5 2.517 -9.956 -7.670 33 1HB HIS 5 1HB HIS 5 3.149 -12.416 -7.674 34 2HB HIS 5 2HB HIS 5 4.285 -11.330 -6.879 35 HD1 HIS 5 HD1 HIS 5 5.176 -13.376 -5.509 36 HD2 HIS 5 HD2 HIS 5 1.204 -12.390 -4.791 37 HE1 HIS 5 HE1 HIS 5 4.549 -14.599 -3.403 38 H GLN 6 H GLN 6 1.468 -11.822 -8.973 39 HA GLN 6 HA GLN 6 -0.938 -12.948 -7.900 40 1HB GLN 6 1HB GLN 6 -1.024 -10.438 -9.483 41 2HB GLN 6 2HB GLN 6 -2.219 -11.667 -9.879 42 1HG GLN 6 1HG GLN 6 -2.615 -11.690 -7.297 43 2HG GLN 6 2HG GLN 6 -1.875 -10.092 -7.377 44 1HE2 GLN 6 1HE2 GLN 6 -4.519 -10.586 -6.574 45 2HE2 GLN 6 2HE2 GLN 6 -5.579 -9.849 -7.722 46 H CYS 7 H CYS 7 -2.321 -13.799 -9.891 47 HA CYS 7 HA CYS 7 -0.598 -15.576 -11.301 48 1HB CYS 7 1HB CYS 7 -3.520 -15.083 -11.877 49 2HB CYS 7 2HB CYS 7 -2.590 -16.542 -12.201 50 H VAL 8 H VAL 8 0.023 -15.600 -13.416 51 HA VAL 8 HA VAL 8 -0.641 -13.206 -15.005 52 HB VAL 8 HB VAL 8 1.900 -14.817 -15.235 53 1HG1 VAL 8 1HG1 VAL 8 2.364 -12.271 -16.155 54 2HG1 VAL 8 2HG1 VAL 8 2.022 -13.683 -17.158 55 3HG1 VAL 8 3HG1 VAL 8 0.716 -12.590 -16.697 56 1HG2 VAL 8 1HG2 VAL 8 1.471 -12.211 -13.777 57 2HG2 VAL 8 2HG2 VAL 8 1.756 -13.776 -13.016 58 3HG2 VAL 8 3HG2 VAL 8 3.013 -13.035 -14.006 59 H LYS 9 H LYS 9 -0.527 -16.644 -14.886 60 HA LYS 9 HA LYS 9 -1.608 -16.753 -17.614 61 1HB LYS 9 1HB LYS 9 0.286 -18.842 -16.547 62 2HB LYS 9 2HB LYS 9 -0.296 -18.651 -18.196 63 1HG LYS 9 1HG LYS 9 1.719 -17.708 -18.502 64 2HG LYS 9 2HG LYS 9 0.912 -16.275 -17.860 65 1HD LYS 9 1HD LYS 9 1.740 -16.790 -15.629 66 2HD LYS 9 2HD LYS 9 2.502 -18.262 -16.235 67 1HE LYS 9 1HE LYS 9 3.188 -15.419 -16.968 68 2HE LYS 9 2HE LYS 9 4.170 -16.540 -16.027 69 1HZ LYS 9 1HZ LYS 9 3.642 -16.513 -18.918 70 2HZ LYS 9 2HZ LYS 9 3.996 -17.982 -18.158 71 3HZ LYS 9 3HZ LYS 9 5.109 -16.709 -18.097 72 H LYS 10 H LYS 10 -2.910 -16.768 -15.021 73 HA LYS 10 HA LYS 10 -4.187 -19.414 -15.190 74 1HB LYS 10 1HB LYS 10 -2.658 -18.875 -13.115 75 2HB LYS 10 2HB LYS 10 -4.062 -17.963 -12.577 76 1HG LYS 10 1HG LYS 10 -4.100 -20.174 -11.622 77 2HG LYS 10 2HG LYS 10 -5.432 -19.995 -12.767 78 1HD LYS 10 1HD LYS 10 -4.488 -21.430 -14.295 79 2HD LYS 10 2HD LYS 10 -2.844 -21.115 -13.735 80 1HE LYS 10 1HE LYS 10 -4.863 -22.553 -12.037 81 2HE LYS 10 2HE LYS 10 -3.853 -23.401 -13.207 82 1HZ LYS 10 1HZ LYS 10 -2.689 -23.547 -11.216 83 2HZ LYS 10 2HZ LYS 10 -3.021 -21.949 -10.774 84 3HZ LYS 10 3HZ LYS 10 -1.922 -22.271 -12.019 85 H GLN 11 H GLN 11 -6.407 -19.466 -14.967 86 HA GLN 11 HA GLN 11 -7.755 -16.955 -15.458 87 1HB GLN 11 1HB GLN 11 -8.959 -19.714 -15.211 88 2HB GLN 11 2HB GLN 11 -9.707 -18.294 -15.929 89 1HG GLN 11 1HG GLN 11 -7.418 -19.920 -16.985 90 2HG GLN 11 2HG GLN 11 -9.000 -19.651 -17.715 91 1HE2 GLN 11 1HE2 GLN 11 -9.468 -17.208 -18.008 92 2HE2 GLN 11 2HE2 GLN 11 -8.195 -16.305 -18.749 93 H CYS 12 H CYS 12 -8.609 -19.659 -13.299 94 HA CYS 12 HA CYS 12 -9.449 -19.714 -11.186 95 1HB CYS 12 1HB CYS 12 -8.279 -16.939 -10.902 96 2HB CYS 12 2HB CYS 12 -8.723 -18.033 -9.596 97 HA PRO 13 HA PRO 13 -13.404 -17.817 -11.335 98 1HB PRO 13 1HB PRO 13 -14.116 -17.864 -8.715 99 2HB PRO 13 2HB PRO 13 -14.054 -19.317 -9.720 100 1HG PRO 13 1HG PRO 13 -12.041 -18.281 -7.762 101 2HG PRO 13 2HG PRO 13 -12.606 -19.943 -8.012 102 1HD PRO 13 1HD PRO 13 -10.257 -19.037 -9.009 103 2HD PRO 13 2HD PRO 13 -11.233 -20.268 -9.835 104 H GLN 14 H GLN 14 -14.659 -15.962 -10.643 105 HA GLN 14 HA GLN 14 -12.969 -13.665 -10.142 106 1HB GLN 14 1HB GLN 14 -14.959 -12.343 -10.640 107 2HB GLN 14 2HB GLN 14 -14.695 -13.559 -11.882 108 1HG GLN 14 1HG GLN 14 -16.440 -14.937 -10.990 109 2HG GLN 14 2HG GLN 14 -16.631 -13.868 -9.601 110 1HE2 GLN 14 1HE2 GLN 14 -18.167 -12.397 -9.721 111 2HE2 GLN 14 2HE2 GLN 14 -18.926 -11.836 -11.168 112 H ASN 15 H ASN 15 -14.512 -15.846 -8.216 113 HA ASN 15 HA ASN 15 -15.160 -13.873 -6.137 114 1HB ASN 15 1HB ASN 15 -15.954 -16.770 -6.468 115 2HB ASN 15 2HB ASN 15 -16.288 -15.834 -5.013 116 1HD2 ASN 15 1HD2 ASN 15 -18.048 -14.597 -4.953 117 2HD2 ASN 15 2HD2 ASN 15 -19.094 -14.291 -6.294 118 H SER 16 H SER 16 -12.474 -15.093 -7.013 119 HA SER 16 HA SER 16 -11.567 -15.684 -4.287 120 1HB SER 16 1HB SER 16 -10.681 -17.250 -6.722 121 2HB SER 16 2HB SER 16 -10.156 -17.508 -5.058 122 HG SER 16 HG SER 16 -11.749 -18.961 -5.340 123 H GLY 17 H GLY 17 -9.209 -15.423 -4.025 124 1HA GLY 17 1HA GLY 17 -8.199 -13.338 -5.859 125 2HA GLY 17 2HA GLY 17 -7.853 -13.385 -4.137 126 H CYS 18 H CYS 18 -7.503 -15.450 -7.022 127 HA CYS 18 HA CYS 18 -5.538 -17.146 -6.136 128 1HB CYS 18 1HB CYS 18 -5.152 -17.701 -8.358 129 2HB CYS 18 2HB CYS 18 -6.764 -16.998 -8.435 130 H PHE 19 H PHE 19 -3.203 -17.182 -6.773 131 HA PHE 19 HA PHE 19 -1.783 -14.796 -7.287 132 1HB PHE 19 1HB PHE 19 -0.865 -14.260 -5.161 133 2HB PHE 19 2HB PHE 19 -2.604 -14.393 -4.918 134 HD1 PHE 19 HD1 PHE 19 -3.337 -16.940 -4.351 135 HD2 PHE 19 HD2 PHE 19 0.444 -15.168 -3.525 136 HE1 PHE 19 HE1 PHE 19 -2.962 -18.584 -2.559 137 HE2 PHE 19 HE2 PHE 19 0.825 -16.810 -1.733 138 HZ PHE 19 HZ PHE 19 -0.878 -18.521 -1.248 139 H ARG 20 H ARG 20 0.306 -15.226 -7.823 140 HA ARG 20 HA ARG 20 1.070 -18.010 -7.937 141 1HB ARG 20 1HB ARG 20 1.425 -16.064 -9.701 142 2HB ARG 20 2HB ARG 20 2.909 -15.820 -8.789 143 1HG ARG 20 1HG ARG 20 3.880 -17.624 -9.671 144 2HG ARG 20 2HG ARG 20 2.428 -18.609 -9.483 145 1HD ARG 20 1HD ARG 20 2.074 -18.456 -11.669 146 2HD ARG 20 2HD ARG 20 1.871 -16.714 -11.491 147 HE ARG 20 HE ARG 20 4.153 -18.093 -12.559 148 1HH1 ARG 20 1HH1 ARG 20 3.037 -15.178 -11.018 149 2HH1 ARG 20 2HH1 ARG 20 4.335 -14.204 -11.627 150 1HH2 ARG 20 1HH2 ARG 20 5.866 -16.822 -13.367 151 2HH2 ARG 20 2HH2 ARG 20 5.943 -15.141 -12.963 152 H HIS 21 H HIS 21 2.090 -18.974 -6.320 153 HA HIS 21 HA HIS 21 3.200 -17.660 -4.108 154 1HB HIS 21 1HB HIS 21 3.179 -20.447 -5.134 155 2HB HIS 21 2HB HIS 21 4.420 -20.047 -3.951 156 HD1 HIS 21 HD1 HIS 21 3.304 -18.745 -1.727 157 HD2 HIS 21 HD2 HIS 21 0.895 -21.280 -3.970 158 HE1 HIS 21 HE1 HIS 21 1.382 -19.350 -0.223 159 H LEU 22 H LEU 22 5.594 -18.379 -3.441 160 HA LEU 22 HA LEU 22 7.311 -16.885 -5.166 161 1HB LEU 22 1HB LEU 22 7.724 -18.422 -2.623 162 2HB LEU 22 2HB LEU 22 9.082 -17.722 -3.503 163 HG LEU 22 HG LEU 22 8.475 -16.248 -1.714 164 1HD1 LEU 22 1HD1 LEU 22 8.774 -15.469 -4.283 165 2HD1 LEU 22 2HD1 LEU 22 8.633 -14.358 -2.920 166 3HD1 LEU 22 3HD1 LEU 22 7.216 -14.737 -3.899 167 1HD2 LEU 22 1HD2 LEU 22 5.701 -16.140 -2.890 168 2HD2 LEU 22 2HD2 LEU 22 6.278 -15.313 -1.442 169 3HD2 LEU 22 3HD2 LEU 22 6.147 -17.072 -1.461 170 H ASP 23 H ASP 23 6.549 -20.229 -4.786 171 HA ASP 23 HA ASP 23 8.891 -21.061 -6.329 172 1HB ASP 23 1HB ASP 23 8.155 -22.320 -4.263 173 2HB ASP 23 2HB ASP 23 6.730 -22.823 -5.169 174 H GLU 24 H GLU 24 6.702 -19.486 -7.499 175 HA GLU 24 HA GLU 24 5.455 -19.400 -9.399 176 1HB GLU 24 1HB GLU 24 6.878 -21.911 -10.265 177 2HB GLU 24 2HB GLU 24 6.219 -20.635 -11.279 178 1HG GLU 24 1HG GLU 24 7.934 -19.111 -10.138 179 2HG GLU 24 2HG GLU 24 8.700 -20.607 -9.606 180 H ARG 25 H ARG 25 4.075 -20.464 -7.355 181 HA ARG 25 HA ARG 25 2.513 -22.599 -8.647 182 1HB ARG 25 1HB ARG 25 3.671 -23.661 -6.847 183 2HB ARG 25 2HB ARG 25 3.289 -22.347 -5.743 184 1HG ARG 25 1HG ARG 25 1.229 -23.141 -5.296 185 2HG ARG 25 2HG ARG 25 0.981 -23.730 -6.941 186 1HD ARG 25 1HD ARG 25 2.696 -25.031 -4.827 187 2HD ARG 25 2HD ARG 25 1.100 -25.573 -5.342 188 HE ARG 25 HE ARG 25 2.818 -25.429 -7.570 189 1HH1 ARG 25 1HH1 ARG 25 2.255 -27.317 -4.700 190 2HH1 ARG 25 2HH1 ARG 25 2.902 -28.776 -5.375 191 1HH2 ARG 25 1HH2 ARG 25 3.673 -27.342 -8.470 192 2HH2 ARG 25 2HH2 ARG 25 3.710 -28.788 -7.519 193 H GLU 26 H GLU 26 0.757 -21.533 -9.345 194 HA GLU 26 HA GLU 26 -0.401 -19.349 -7.881 195 1HB GLU 26 1HB GLU 26 -1.491 -20.850 -10.269 196 2HB GLU 26 2HB GLU 26 -2.069 -19.303 -9.665 197 1HG GLU 26 1HG GLU 26 -0.291 -18.148 -10.502 198 2HG GLU 26 2HG GLU 26 0.794 -19.534 -10.412 199 H GLU 27 H GLU 27 -2.042 -19.386 -6.470 200 HA GLU 27 HA GLU 27 -3.554 -21.894 -6.165 201 1HB GLU 27 1HB GLU 27 -1.773 -21.403 -4.373 202 2HB GLU 27 2HB GLU 27 -2.848 -20.118 -3.841 203 1HG GLU 27 1HG GLU 27 -3.253 -22.025 -2.485 204 2HG GLU 27 2HG GLU 27 -4.638 -21.817 -3.555 205 H CYS 28 H CYS 28 -5.412 -21.253 -7.156 206 HA CYS 28 HA CYS 28 -6.592 -18.685 -6.759 207 1HB CYS 28 1HB CYS 28 -8.001 -21.144 -7.793 208 2HB CYS 28 2HB CYS 28 -8.370 -19.458 -8.142 209 H LYS 29 H LYS 29 -6.563 -18.713 -4.393 210 HA LYS 29 HA LYS 29 -8.622 -20.389 -3.158 211 1HB LYS 29 1HB LYS 29 -7.675 -19.743 -1.037 212 2HB LYS 29 2HB LYS 29 -6.374 -20.256 -2.103 213 1HG LYS 29 1HG LYS 29 -6.118 -17.750 -2.637 214 2HG LYS 29 2HG LYS 29 -7.070 -17.500 -1.172 215 1HD LYS 29 1HD LYS 29 -4.593 -19.208 -1.228 216 2HD LYS 29 2HD LYS 29 -4.546 -17.474 -0.903 217 1HE LYS 29 1HE LYS 29 -6.378 -19.256 0.653 218 2HE LYS 29 2HE LYS 29 -4.670 -19.151 1.078 219 1HZ LYS 29 1HZ LYS 29 -6.069 -16.627 0.705 220 2HZ LYS 29 2HZ LYS 29 -4.896 -17.057 1.846 221 3HZ LYS 29 3HZ LYS 29 -6.506 -17.526 2.070 222 H CYS 30 H CYS 30 -10.431 -19.572 -2.181 223 HA CYS 30 HA CYS 30 -11.632 -17.296 -3.174 224 1HB CYS 30 1HB CYS 30 -12.192 -18.434 -0.433 225 2HB CYS 30 2HB CYS 30 -13.309 -17.570 -1.484 226 H LEU 31 H LEU 31 -11.980 -15.208 -2.398 227 HA LEU 31 HA LEU 31 -9.812 -13.881 -1.284 228 1HB LEU 31 1HB LEU 31 -12.714 -13.072 -1.336 229 2HB LEU 31 2HB LEU 31 -11.381 -11.992 -0.935 230 HG LEU 31 HG LEU 31 -11.471 -13.397 -3.582 231 1HD1 LEU 31 1HD1 LEU 31 -12.409 -10.904 -4.130 232 2HD1 LEU 31 2HD1 LEU 31 -13.249 -11.277 -2.625 233 3HD1 LEU 31 3HD1 LEU 31 -13.405 -12.355 -4.011 234 1HD2 LEU 31 1HD2 LEU 31 -10.128 -11.506 -4.284 235 2HD2 LEU 31 2HD2 LEU 31 -9.402 -12.272 -2.871 236 3HD2 LEU 31 3HD2 LEU 31 -10.299 -10.764 -2.694 237 H LEU 32 H LEU 32 -10.237 -12.353 0.744 238 HA LEU 32 HA LEU 32 -10.287 -14.109 3.001 239 1HB LEU 32 1HB LEU 32 -10.020 -11.952 4.286 240 2HB LEU 32 2HB LEU 32 -8.753 -12.338 3.123 241 HG LEU 32 HG LEU 32 -10.900 -10.620 2.084 242 1HD1 LEU 32 1HD1 LEU 32 -8.953 -9.192 3.793 243 2HD1 LEU 32 2HD1 LEU 32 -10.296 -9.996 4.605 244 3HD1 LEU 32 3HD1 LEU 32 -10.615 -8.778 3.370 245 1HD2 LEU 32 1HD2 LEU 32 -8.067 -9.817 2.041 246 2HD2 LEU 32 2HD2 LEU 32 -9.255 -9.869 0.739 247 3HD2 LEU 32 3HD2 LEU 32 -8.442 -11.349 1.251 248 H ASN 33 H ASN 33 -12.710 -12.663 1.254 249 HA ASN 33 HA ASN 33 -14.496 -12.437 3.577 250 1HB ASN 33 1HB ASN 33 -15.160 -11.517 0.788 251 2HB ASN 33 2HB ASN 33 -15.871 -10.996 2.313 252 1HD2 ASN 33 1HD2 ASN 33 -13.037 -10.818 0.270 253 2HD2 ASN 33 2HD2 ASN 33 -12.398 -9.367 0.956 254 H TYR 34 H TYR 34 -13.635 -14.956 2.318 255 HA TYR 34 HA TYR 34 -16.310 -16.003 1.715 256 1HB TYR 34 1HB TYR 34 -13.786 -16.529 0.143 257 2HB TYR 34 2HB TYR 34 -15.222 -17.541 0.025 258 HD1 TYR 34 HD1 TYR 34 -16.837 -17.032 -1.559 259 HD2 TYR 34 HD2 TYR 34 -14.158 -13.978 -0.295 260 HE1 TYR 34 HE1 TYR 34 -17.769 -15.519 -3.259 261 HE2 TYR 34 HE2 TYR 34 -15.084 -12.456 -1.991 262 HH TYR 34 HH TYR 34 -16.542 -12.204 -3.640 263 H LYS 35 H LYS 35 -16.723 -17.280 3.396 264 HA LYS 35 HA LYS 35 -14.875 -18.474 5.093 265 1HB LYS 35 1HB LYS 35 -17.693 -19.360 4.450 266 2HB LYS 35 2HB LYS 35 -16.751 -19.922 5.825 267 1HG LYS 35 1HG LYS 35 -16.581 -17.316 6.289 268 2HG LYS 35 2HG LYS 35 -18.090 -17.319 5.374 269 1HD LYS 35 1HD LYS 35 -17.610 -19.174 7.692 270 2HD LYS 35 2HD LYS 35 -18.271 -17.551 7.904 271 1HE LYS 35 1HE LYS 35 -20.270 -18.101 6.991 272 2HE LYS 35 2HE LYS 35 -19.556 -19.232 5.843 273 1HZ LYS 35 1HZ LYS 35 -19.685 -20.942 7.304 274 2HZ LYS 35 2HZ LYS 35 -20.988 -20.036 7.888 275 3HZ LYS 35 3HZ LYS 35 -19.490 -19.964 8.670 276 H GLN 36 H GLN 36 -16.004 -19.472 1.981 277 HA GLN 36 HA GLN 36 -15.545 -21.263 0.653 278 1HB GLN 36 1HB GLN 36 -13.244 -20.390 1.048 279 2HB GLN 36 2HB GLN 36 -13.086 -21.512 2.393 280 1HG GLN 36 1HG GLN 36 -13.917 -23.008 0.148 281 2HG GLN 36 2HG GLN 36 -12.605 -21.952 -0.374 282 1HE2 GLN 36 1HE2 GLN 36 -13.219 -24.927 0.708 283 2HE2 GLN 36 2HE2 GLN 36 -11.738 -25.282 1.523 284 H GLU 37 H GLU 37 -17.230 -22.613 1.244 285 HA GLU 37 HA GLU 37 -17.452 -24.157 3.526 286 1HB GLU 37 1HB GLU 37 -19.293 -23.923 1.974 287 2HB GLU 37 2HB GLU 37 -18.391 -24.762 0.720 288 1HG GLU 37 1HG GLU 37 -18.639 -26.827 1.738 289 2HG GLU 37 2HG GLU 37 -18.998 -26.118 3.312 290 H GLY 38 H GLY 38 -16.386 -25.408 0.353 291 1HA GLY 38 1HA GLY 38 -14.182 -26.828 1.532 292 2HA GLY 38 2HA GLY 38 -15.517 -27.885 1.097 293 H ASP 39 H ASP 39 -16.393 -27.302 -1.228 294 HA ASP 39 HA ASP 39 -14.035 -27.174 -2.991 295 1HB ASP 39 1HB ASP 39 -16.552 -28.810 -3.140 296 2HB ASP 39 2HB ASP 39 -15.614 -28.469 -4.592 297 H LYS 40 H LYS 40 -15.984 -25.063 -1.966 298 HA LYS 40 HA LYS 40 -16.251 -23.689 -4.493 299 1HB LYS 40 1HB LYS 40 -18.698 -23.148 -3.974 300 2HB LYS 40 2HB LYS 40 -18.348 -24.744 -4.623 301 1HG LYS 40 1HG LYS 40 -18.665 -25.779 -2.539 302 2HG LYS 40 2HG LYS 40 -18.600 -24.241 -1.675 303 1HD LYS 40 1HD LYS 40 -20.721 -24.711 -3.730 304 2HD LYS 40 2HD LYS 40 -20.899 -25.390 -2.111 305 1HE LYS 40 1HE LYS 40 -20.980 -23.295 -1.108 306 2HE LYS 40 2HE LYS 40 -20.215 -22.499 -2.482 307 1HZ LYS 40 1HZ LYS 40 -22.577 -21.994 -2.351 308 2HZ LYS 40 2HZ LYS 40 -22.958 -23.638 -2.463 309 3HZ LYS 40 3HZ LYS 40 -22.223 -22.849 -3.768 310 H CYS 41 H CYS 41 -16.998 -21.424 -4.185 311 HA CYS 41 HA CYS 41 -15.989 -20.406 -1.626 312 1HB CYS 41 1HB CYS 41 -16.364 -19.046 -4.301 313 2HB CYS 41 2HB CYS 41 -15.801 -18.232 -2.845 314 H VAL 42 H VAL 42 -17.166 -19.044 -0.337 315 HA VAL 42 HA VAL 42 -19.909 -18.404 -1.181 316 HB VAL 42 HB VAL 42 -20.605 -18.851 1.228 317 1HG1 VAL 42 1HG1 VAL 42 -21.244 -20.272 -0.670 318 2HG1 VAL 42 2HG1 VAL 42 -19.770 -21.217 -0.446 319 3HG1 VAL 42 3HG1 VAL 42 -21.012 -21.207 0.807 320 1HG2 VAL 42 1HG2 VAL 42 -17.893 -19.299 1.564 321 2HG2 VAL 42 2HG2 VAL 42 -19.170 -19.690 2.716 322 3HG2 VAL 42 3HG2 VAL 42 -18.600 -20.915 1.582 323 H GLU 43 H GLU 43 -19.984 -16.256 -1.237 324 HA GLU 43 HA GLU 43 -18.269 -14.578 0.290 325 1HB GLU 43 1HB GLU 43 -19.740 -12.737 -0.598 326 2HB GLU 43 2HB GLU 43 -19.009 -13.765 -1.822 327 1HG GLU 43 1HG GLU 43 -20.999 -14.216 -2.661 328 2HG GLU 43 2HG GLU 43 -21.525 -14.876 -1.114 329 H ASN 44 H ASN 44 -18.706 -15.340 2.444 330 HA ASN 44 HA ASN 44 -19.727 -15.321 4.484 331 1HB ASN 44 1HB ASN 44 -19.225 -12.946 4.291 332 2HB ASN 44 2HB ASN 44 -20.719 -12.677 3.398 333 1HD2 ASN 44 1HD2 ASN 44 -20.027 -14.559 6.317 334 2HD2 ASN 44 2HD2 ASN 44 -21.153 -13.728 7.328 335 HA PRO 45 HA PRO 45 -23.747 -16.870 2.777 336 1HB PRO 45 1HB PRO 45 -23.576 -19.301 3.973 337 2HB PRO 45 2HB PRO 45 -22.849 -18.951 2.401 338 1HG PRO 45 1HG PRO 45 -21.566 -19.031 5.104 339 2HG PRO 45 2HG PRO 45 -20.970 -19.675 3.564 340 1HD PRO 45 1HD PRO 45 -20.102 -17.327 4.595 341 2HD PRO 45 2HD PRO 45 -20.224 -17.615 2.848 342 H ASN 46 H ASN 46 -22.331 -16.539 5.917 343 HA ASN 46 HA ASN 46 -25.016 -16.593 7.131 344 1HB ASN 46 1HB ASN 46 -22.370 -17.555 8.128 345 2HB ASN 46 2HB ASN 46 -23.521 -16.915 9.297 346 1HD2 ASN 46 1HD2 ASN 46 -25.840 -17.793 8.848 347 2HD2 ASN 46 2HD2 ASN 46 -25.932 -19.507 8.655 348 HA PRO 47 HA PRO 47 -23.283 -12.269 7.371 349 1HB PRO 47 1HB PRO 47 -25.522 -11.052 6.435 350 2HB PRO 47 2HB PRO 47 -24.243 -11.656 5.375 351 1HG PRO 47 1HG PRO 47 -26.860 -12.918 6.096 352 2HG PRO 47 2HG PRO 47 -26.065 -12.817 4.515 353 1HD PRO 47 1HD PRO 47 -25.985 -15.050 6.044 354 2HD PRO 47 2HD PRO 47 -24.652 -14.579 4.971 355 H THR 48 H THR 48 -26.553 -13.450 8.114 356 HA THR 48 HA THR 48 -26.634 -11.670 10.448 357 HB THR 48 HB THR 48 -29.043 -12.169 10.544 358 HG1 THR 48 HG1 THR 48 -29.736 -13.875 9.520 359 1HG2 THR 48 1HG2 THR 48 -28.354 -10.248 9.247 360 2HG2 THR 48 2HG2 THR 48 -29.694 -11.049 8.427 361 3HG2 THR 48 3HG2 THR 48 -28.045 -11.266 7.842 362 1HN NH2 49 1HN THR 49 -27.047 -15.737 11.088 363 2HN NH2 49 2HN THR 49 -27.312 -15.060 9.516 Start of MODEL 12 1 1H ASN 1 1HT ASN 1 7.608 -9.265 -2.636 2 HA ASN 1 HA ASN 1 5.301 -8.296 -3.464 3 1HB ASN 1 1HB ASN 1 6.093 -8.789 -0.595 4 2HB ASN 1 2HB ASN 1 4.433 -8.428 -1.062 5 1HD2 ASN 1 1HD2 ASN 1 3.190 -10.099 -1.471 6 2HD2 ASN 1 2HD2 ASN 1 3.723 -11.679 -1.923 7 H ILE 2 H ILE 2 6.265 -6.114 -4.192 8 HA ILE 2 HA ILE 2 5.721 -4.058 -2.156 9 HB ILE 2 HB ILE 2 6.978 -2.511 -3.658 10 1HG1 ILE 2 1HG1 ILE 2 8.482 -4.486 -5.084 11 2HG1 ILE 2 2HG1 ILE 2 6.773 -4.708 -5.445 12 1HG2 ILE 2 1HG2 ILE 2 8.334 -3.118 -1.942 13 2HG2 ILE 2 2HG2 ILE 2 8.157 -4.842 -2.265 14 3HG2 ILE 2 3HG2 ILE 2 9.237 -3.865 -3.260 15 1HD1 ILE 2 1HD1 ILE 2 7.737 -1.934 -5.540 16 2HD1 ILE 2 2HD1 ILE 2 8.387 -3.020 -6.769 17 3HD1 ILE 2 3HD1 ILE 2 6.644 -2.801 -6.619 18 H SER 3 H SER 3 3.946 -5.599 -4.185 19 HA SER 3 HA SER 3 2.184 -3.413 -4.711 20 1HB SER 3 1HB SER 3 3.835 -3.191 -6.586 21 2HB SER 3 2HB SER 3 3.360 -4.799 -7.131 22 HG SER 3 HG SER 3 2.259 -2.654 -7.904 23 H GLN 4 H GLN 4 2.261 -6.074 -3.438 24 HA GLN 4 HA GLN 4 0.997 -7.958 -3.222 25 1HB GLN 4 1HB GLN 4 -0.893 -5.945 -4.386 26 2HB GLN 4 2HB GLN 4 -1.435 -7.597 -4.120 27 1HG GLN 4 1HG GLN 4 -0.504 -7.238 -1.724 28 2HG GLN 4 2HG GLN 4 -0.627 -5.527 -2.130 29 1HE2 GLN 4 1HE2 GLN 4 -2.650 -4.609 -2.446 30 2HE2 GLN 4 2HE2 GLN 4 -4.105 -5.387 -1.936 31 H HIS 5 H HIS 5 2.403 -9.088 -4.722 32 HA HIS 5 HA HIS 5 2.105 -9.290 -7.453 33 1HB HIS 5 1HB HIS 5 3.145 -11.503 -7.275 34 2HB HIS 5 2HB HIS 5 3.941 -10.345 -6.213 35 HD1 HIS 5 HD1 HIS 5 4.386 -13.198 -5.524 36 HD2 HIS 5 HD2 HIS 5 1.100 -11.082 -4.115 37 HE1 HIS 5 HE1 HIS 5 3.630 -14.425 -3.464 38 H GLN 6 H GLN 6 1.095 -10.908 -8.794 39 HA GLN 6 HA GLN 6 -1.103 -12.427 -7.669 40 1HB GLN 6 1HB GLN 6 -1.530 -10.153 -9.606 41 2HB GLN 6 2HB GLN 6 -2.716 -11.424 -9.341 42 1HG GLN 6 1HG GLN 6 -2.510 -10.755 -6.849 43 2HG GLN 6 2HG GLN 6 -1.815 -9.266 -7.487 44 1HE2 GLN 6 1HE2 GLN 6 -4.559 -11.405 -8.206 45 2HE2 GLN 6 2HE2 GLN 6 -5.720 -10.138 -8.379 46 H CYS 7 H CYS 7 -2.418 -13.295 -9.788 47 HA CYS 7 HA CYS 7 -0.487 -14.931 -11.139 48 1HB CYS 7 1HB CYS 7 -3.429 -14.769 -11.779 49 2HB CYS 7 2HB CYS 7 -2.339 -16.131 -12.014 50 H VAL 8 H VAL 8 0.015 -14.978 -13.318 51 HA VAL 8 HA VAL 8 -0.801 -12.599 -14.859 52 HB VAL 8 HB VAL 8 1.398 -12.892 -16.076 53 1HG1 VAL 8 1HG1 VAL 8 1.851 -12.294 -13.175 54 2HG1 VAL 8 2HG1 VAL 8 2.532 -11.498 -14.596 55 3HG1 VAL 8 3HG1 VAL 8 0.838 -11.249 -14.171 56 1HG2 VAL 8 1HG2 VAL 8 3.172 -14.105 -14.931 57 2HG2 VAL 8 2HG2 VAL 8 2.033 -14.627 -13.690 58 3HG2 VAL 8 3HG2 VAL 8 1.847 -15.191 -15.350 59 H LYS 9 H LYS 9 -0.313 -16.043 -14.843 60 HA LYS 9 HA LYS 9 -1.776 -16.244 -17.357 61 1HB LYS 9 1HB LYS 9 0.978 -17.372 -16.890 62 2HB LYS 9 2HB LYS 9 -0.111 -18.050 -18.093 63 1HG LYS 9 1HG LYS 9 0.569 -15.134 -18.091 64 2HG LYS 9 2HG LYS 9 1.626 -16.327 -18.851 65 1HD LYS 9 1HD LYS 9 0.352 -16.041 -20.670 66 2HD LYS 9 2HD LYS 9 -0.849 -17.014 -19.819 67 1HE LYS 9 1HE LYS 9 -1.835 -14.956 -20.678 68 2HE LYS 9 2HE LYS 9 -1.861 -14.983 -18.915 69 1HZ LYS 9 1HZ LYS 9 -0.335 -13.322 -18.773 70 2HZ LYS 9 2HZ LYS 9 -1.056 -12.883 -20.239 71 3HZ LYS 9 3HZ LYS 9 0.419 -13.710 -20.237 72 H LYS 10 H LYS 10 -3.023 -16.755 -15.126 73 HA LYS 10 HA LYS 10 -3.231 -19.675 -15.084 74 1HB LYS 10 1HB LYS 10 -1.884 -19.192 -13.145 75 2HB LYS 10 2HB LYS 10 -2.983 -17.915 -12.641 76 1HG LYS 10 1HG LYS 10 -3.344 -19.839 -11.265 77 2HG LYS 10 2HG LYS 10 -4.746 -19.624 -12.316 78 1HD LYS 10 1HD LYS 10 -4.443 -21.843 -12.660 79 2HD LYS 10 2HD LYS 10 -3.287 -21.260 -13.860 80 1HE LYS 10 1HE LYS 10 -1.459 -21.737 -12.513 81 2HE LYS 10 2HE LYS 10 -2.421 -21.737 -11.036 82 1HZ LYS 10 1HZ LYS 10 -3.502 -23.750 -12.504 83 2HZ LYS 10 2HZ LYS 10 -2.398 -23.939 -11.238 84 3HZ LYS 10 3HZ LYS 10 -1.849 -23.891 -12.837 85 H GLN 11 H GLN 11 -5.292 -20.461 -14.733 86 HA GLN 11 HA GLN 11 -7.423 -18.516 -15.092 87 1HB GLN 11 1HB GLN 11 -7.528 -21.537 -15.083 88 2HB GLN 11 2HB GLN 11 -8.844 -20.463 -15.539 89 1HG GLN 11 1HG GLN 11 -7.656 -19.705 -17.461 90 2HG GLN 11 2HG GLN 11 -6.193 -20.548 -16.954 91 1HE2 GLN 11 1HE2 GLN 11 -7.772 -20.759 -19.420 92 2HE2 GLN 11 2HE2 GLN 11 -8.204 -22.426 -19.558 93 H CYS 12 H CYS 12 -8.611 -17.770 -13.474 94 HA CYS 12 HA CYS 12 -9.161 -19.475 -11.168 95 1HB CYS 12 1HB CYS 12 -8.072 -16.666 -10.889 96 2HB CYS 12 2HB CYS 12 -8.558 -17.729 -9.572 97 HA PRO 13 HA PRO 13 -13.183 -17.735 -11.394 98 1HB PRO 13 1HB PRO 13 -13.940 -17.794 -8.787 99 2HB PRO 13 2HB PRO 13 -13.803 -19.249 -9.781 100 1HG PRO 13 1HG PRO 13 -11.868 -18.123 -7.794 101 2HG PRO 13 2HG PRO 13 -12.362 -19.807 -8.043 102 1HD PRO 13 1HD PRO 13 -10.033 -18.815 -9.004 103 2HD PRO 13 2HD PRO 13 -10.945 -20.089 -9.839 104 H GLN 14 H GLN 14 -14.577 -15.972 -10.551 105 HA GLN 14 HA GLN 14 -12.973 -13.586 -10.104 106 1HB GLN 14 1HB GLN 14 -15.018 -12.353 -10.615 107 2HB GLN 14 2HB GLN 14 -14.685 -13.550 -11.859 108 1HG GLN 14 1HG GLN 14 -16.306 -15.064 -10.634 109 2HG GLN 14 2HG GLN 14 -16.774 -13.639 -9.709 110 1HE2 GLN 14 1HE2 GLN 14 -17.357 -15.442 -12.449 111 2HE2 GLN 14 2HE2 GLN 14 -18.315 -14.301 -13.322 112 H ASN 15 H ASN 15 -14.309 -15.836 -8.162 113 HA ASN 15 HA ASN 15 -15.085 -13.893 -6.091 114 1HB ASN 15 1HB ASN 15 -15.794 -16.813 -6.428 115 2HB ASN 15 2HB ASN 15 -16.175 -15.878 -4.984 116 1HD2 ASN 15 1HD2 ASN 15 -17.864 -14.483 -5.005 117 2HD2 ASN 15 2HD2 ASN 15 -18.942 -14.298 -6.342 118 H SER 16 H SER 16 -12.369 -15.070 -6.974 119 HA SER 16 HA SER 16 -11.460 -15.663 -4.245 120 1HB SER 16 1HB SER 16 -10.489 -17.135 -6.706 121 2HB SER 16 2HB SER 16 -9.986 -17.421 -5.040 122 HG SER 16 HG SER 16 -11.551 -18.928 -5.622 123 H GLY 17 H GLY 17 -9.162 -15.258 -3.906 124 1HA GLY 17 1HA GLY 17 -8.195 -13.118 -5.696 125 2HA GLY 17 2HA GLY 17 -7.866 -13.195 -3.972 126 H CYS 18 H CYS 18 -7.418 -15.196 -6.890 127 HA CYS 18 HA CYS 18 -5.388 -16.822 -6.022 128 1HB CYS 18 1HB CYS 18 -4.990 -17.341 -8.244 129 2HB CYS 18 2HB CYS 18 -6.614 -16.667 -8.331 130 H PHE 19 H PHE 19 -3.052 -16.755 -6.639 131 HA PHE 19 HA PHE 19 -1.737 -14.291 -7.100 132 1HB PHE 19 1HB PHE 19 -0.810 -13.812 -4.953 133 2HB PHE 19 2HB PHE 19 -2.548 -13.977 -4.727 134 HD1 PHE 19 HD1 PHE 19 0.517 -14.773 -3.362 135 HD2 PHE 19 HD2 PHE 19 -3.265 -16.529 -4.220 136 HE1 PHE 19 HE1 PHE 19 0.910 -16.464 -1.619 137 HE2 PHE 19 HE2 PHE 19 -2.877 -18.222 -2.478 138 HZ PHE 19 HZ PHE 19 -0.788 -18.191 -1.174 139 H ARG 20 H ARG 20 0.327 -14.640 -7.731 140 HA ARG 20 HA ARG 20 1.231 -17.389 -7.838 141 1HB ARG 20 1HB ARG 20 1.360 -15.618 -9.727 142 2HB ARG 20 2HB ARG 20 2.777 -15.029 -8.868 143 1HG ARG 20 1HG ARG 20 4.055 -16.741 -9.545 144 2HG ARG 20 2HG ARG 20 2.757 -17.920 -9.348 145 1HD ARG 20 1HD ARG 20 2.390 -17.912 -11.537 146 2HD ARG 20 2HD ARG 20 2.082 -16.176 -11.494 147 HE ARG 20 HE ARG 20 4.814 -16.425 -11.473 148 1HH1 ARG 20 1HH1 ARG 20 2.225 -17.438 -13.568 149 2HH1 ARG 20 2HH1 ARG 20 3.190 -17.375 -15.006 150 1HH2 ARG 20 1HH2 ARG 20 6.094 -16.339 -13.358 151 2HH2 ARG 20 2HH2 ARG 20 5.390 -16.751 -14.885 152 H HIS 21 H HIS 21 2.181 -18.160 -6.060 153 HA HIS 21 HA HIS 21 3.391 -16.739 -4.023 154 1HB HIS 21 1HB HIS 21 3.456 -19.556 -4.941 155 2HB HIS 21 2HB HIS 21 4.757 -19.059 -3.862 156 HD1 HIS 21 HD1 HIS 21 3.744 -17.731 -1.608 157 HD2 HIS 21 HD2 HIS 21 1.293 -20.435 -3.594 158 HE1 HIS 21 HE1 HIS 21 1.958 -18.360 0.047 159 H LEU 22 H LEU 22 5.772 -16.982 -3.388 160 HA LEU 22 HA LEU 22 7.339 -15.612 -5.313 161 1HB LEU 22 1HB LEU 22 8.463 -16.999 -2.905 162 2HB LEU 22 2HB LEU 22 9.021 -15.521 -3.687 163 HG LEU 22 HG LEU 22 6.581 -15.858 -1.948 164 1HD1 LEU 22 1HD1 LEU 22 7.734 -14.218 -0.530 165 2HD1 LEU 22 2HD1 LEU 22 9.118 -14.263 -1.621 166 3HD1 LEU 22 3HD1 LEU 22 8.662 -15.707 -0.717 167 1HD2 LEU 22 1HD2 LEU 22 6.045 -14.365 -3.784 168 2HD2 LEU 22 2HD2 LEU 22 7.520 -13.443 -3.493 169 3HD2 LEU 22 3HD2 LEU 22 6.232 -13.450 -2.288 170 H ASP 23 H ASP 23 6.660 -18.884 -4.886 171 HA ASP 23 HA ASP 23 9.138 -19.729 -6.216 172 1HB ASP 23 1HB ASP 23 8.148 -22.068 -5.685 173 2HB ASP 23 2HB ASP 23 8.825 -21.116 -4.366 174 H GLU 24 H GLU 24 6.737 -18.361 -7.436 175 HA GLU 24 HA GLU 24 5.612 -18.422 -9.412 176 1HB GLU 24 1HB GLU 24 7.176 -20.901 -10.109 177 2HB GLU 24 2HB GLU 24 6.489 -19.709 -11.203 178 1HG GLU 24 1HG GLU 24 8.092 -18.041 -10.261 179 2HG GLU 24 2HG GLU 24 8.852 -19.364 -9.378 180 H ARG 25 H ARG 25 4.458 -19.677 -7.169 181 HA ARG 25 HA ARG 25 2.951 -21.866 -8.445 182 1HB ARG 25 1HB ARG 25 4.206 -22.747 -6.588 183 2HB ARG 25 2HB ARG 25 3.645 -21.455 -5.536 184 1HG ARG 25 1HG ARG 25 1.558 -22.378 -5.281 185 2HG ARG 25 2HG ARG 25 1.649 -23.267 -6.803 186 1HD ARG 25 1HD ARG 25 2.976 -24.941 -5.890 187 2HD ARG 25 2HD ARG 25 3.503 -23.925 -4.549 188 HE ARG 25 HE ARG 25 0.706 -24.390 -4.438 189 1HH1 ARG 25 1HH1 ARG 25 3.786 -25.894 -3.831 190 2HH1 ARG 25 2HH1 ARG 25 3.170 -26.966 -2.617 191 1HH2 ARG 25 1HH2 ARG 25 -0.117 -25.795 -2.841 192 2HH2 ARG 25 2HH2 ARG 25 0.950 -26.909 -2.055 193 H GLU 26 H GLU 26 1.134 -20.940 -9.183 194 HA GLU 26 HA GLU 26 -0.168 -18.794 -7.771 195 1HB GLU 26 1HB GLU 26 -1.246 -20.358 -10.116 196 2HB GLU 26 2HB GLU 26 -1.718 -18.746 -9.596 197 1HG GLU 26 1HG GLU 26 -0.214 -17.865 -10.948 198 2HG GLU 26 2HG GLU 26 1.069 -18.706 -10.079 199 H GLU 27 H GLU 27 -1.824 -18.923 -6.384 200 HA GLU 27 HA GLU 27 -3.226 -21.497 -6.120 201 1HB GLU 27 1HB GLU 27 -1.423 -20.674 -4.292 202 2HB GLU 27 2HB GLU 27 -2.860 -19.877 -3.667 203 1HG GLU 27 1HG GLU 27 -2.594 -22.823 -4.219 204 2HG GLU 27 2HG GLU 27 -2.495 -22.058 -2.634 205 H CYS 28 H CYS 28 -5.116 -20.916 -7.076 206 HA CYS 28 HA CYS 28 -6.380 -18.395 -6.655 207 1HB CYS 28 1HB CYS 28 -7.712 -20.904 -7.674 208 2HB CYS 28 2HB CYS 28 -8.154 -19.233 -8.009 209 H LYS 29 H LYS 29 -6.343 -18.394 -4.300 210 HA LYS 29 HA LYS 29 -8.314 -20.151 -3.031 211 1HB LYS 29 1HB LYS 29 -6.221 -20.078 -1.869 212 2HB LYS 29 2HB LYS 29 -6.195 -18.320 -1.903 213 1HG LYS 29 1HG LYS 29 -7.578 -18.128 -0.131 214 2HG LYS 29 2HG LYS 29 -8.512 -19.562 -0.564 215 1HD LYS 29 1HD LYS 29 -7.453 -20.515 1.173 216 2HD LYS 29 2HD LYS 29 -6.093 -20.652 0.056 217 1HE LYS 29 1HE LYS 29 -5.058 -18.720 0.923 218 2HE LYS 29 2HE LYS 29 -6.521 -18.219 1.769 219 1HZ LYS 29 1HZ LYS 29 -5.800 -20.768 2.679 220 2HZ LYS 29 2HZ LYS 29 -5.829 -19.315 3.545 221 3HZ LYS 29 3HZ LYS 29 -4.421 -19.789 2.736 222 H CYS 30 H CYS 30 -10.064 -19.355 -1.859 223 HA CYS 30 HA CYS 30 -11.360 -17.102 -2.902 224 1HB CYS 30 1HB CYS 30 -11.953 -18.308 -0.202 225 2HB CYS 30 2HB CYS 30 -13.072 -17.509 -1.302 226 H LEU 31 H LEU 31 -11.785 -15.058 -2.048 227 HA LEU 31 HA LEU 31 -9.668 -13.720 -0.844 228 1HB LEU 31 1HB LEU 31 -12.582 -12.949 -0.863 229 2HB LEU 31 2HB LEU 31 -11.237 -11.864 -0.514 230 HG LEU 31 HG LEU 31 -11.124 -13.237 -3.121 231 1HD1 LEU 31 1HD1 LEU 31 -13.350 -11.401 -2.353 232 2HD1 LEU 31 2HD1 LEU 31 -13.382 -12.847 -3.362 233 3HD1 LEU 31 3HD1 LEU 31 -12.689 -11.351 -3.987 234 1HD2 LEU 31 1HD2 LEU 31 -9.522 -11.502 -2.272 235 2HD2 LEU 31 2HD2 LEU 31 -10.834 -10.329 -2.391 236 3HD2 LEU 31 3HD2 LEU 31 -10.246 -11.146 -3.840 237 H LEU 32 H LEU 32 -10.219 -12.261 1.225 238 HA LEU 32 HA LEU 32 -10.264 -14.106 3.418 239 1HB LEU 32 1HB LEU 32 -10.064 -11.999 4.787 240 2HB LEU 32 2HB LEU 32 -8.771 -12.303 3.629 241 HG LEU 32 HG LEU 32 -10.948 -10.596 2.634 242 1HD1 LEU 32 1HD1 LEU 32 -10.520 -10.024 5.142 243 2HD1 LEU 32 2HD1 LEU 32 -10.601 -8.736 3.940 244 3HD1 LEU 32 3HD1 LEU 32 -9.035 -9.302 4.522 245 1HD2 LEU 32 1HD2 LEU 32 -9.301 -9.726 1.355 246 2HD2 LEU 32 2HD2 LEU 32 -8.485 -11.233 1.775 247 3HD2 LEU 32 3HD2 LEU 32 -8.119 -9.753 2.664 248 H ASN 33 H ASN 33 -12.677 -12.668 1.661 249 HA ASN 33 HA ASN 33 -14.526 -12.609 3.950 250 1HB ASN 33 1HB ASN 33 -14.927 -11.387 1.212 251 2HB ASN 33 2HB ASN 33 -15.966 -11.183 2.619 252 1HD2 ASN 33 1HD2 ASN 33 -13.136 -10.156 0.995 253 2HD2 ASN 33 2HD2 ASN 33 -12.684 -8.906 2.100 254 H TYR 34 H TYR 34 -13.619 -15.018 2.572 255 HA TYR 34 HA TYR 34 -16.253 -16.013 1.739 256 1HB TYR 34 1HB TYR 34 -13.637 -16.413 0.291 257 2HB TYR 34 2HB TYR 34 -15.030 -17.458 0.039 258 HD1 TYR 34 HD1 TYR 34 -16.503 -16.933 -1.663 259 HD2 TYR 34 HD2 TYR 34 -14.134 -13.830 0.028 260 HE1 TYR 34 HE1 TYR 34 -17.390 -15.356 -3.329 261 HE2 TYR 34 HE2 TYR 34 -15.014 -12.244 -1.633 262 HH TYR 34 HH TYR 34 -17.671 -13.020 -3.687 263 H LYS 35 H LYS 35 -16.744 -17.329 3.381 264 HA LYS 35 HA LYS 35 -14.705 -18.948 4.662 265 1HB LYS 35 1HB LYS 35 -17.670 -18.976 5.217 266 2HB LYS 35 2HB LYS 35 -16.371 -19.504 6.278 267 1HG LYS 35 1HG LYS 35 -15.603 -17.201 6.501 268 2HG LYS 35 2HG LYS 35 -16.890 -16.664 5.418 269 1HD LYS 35 1HD LYS 35 -17.512 -16.291 7.742 270 2HD LYS 35 2HD LYS 35 -18.563 -17.504 7.006 271 1HE LYS 35 1HE LYS 35 -17.524 -19.262 8.154 272 2HE LYS 35 2HE LYS 35 -16.114 -18.283 8.556 273 1HZ LYS 35 1HZ LYS 35 -17.205 -17.243 10.256 274 2HZ LYS 35 2HZ LYS 35 -17.940 -18.764 10.329 275 3HZ LYS 35 3HZ LYS 35 -18.741 -17.473 9.585 276 H GLN 36 H GLN 36 -14.077 -20.667 3.495 277 HA GLN 36 HA GLN 36 -15.484 -22.055 1.580 278 1HB GLN 36 1HB GLN 36 -12.992 -22.239 2.466 279 2HB GLN 36 2HB GLN 36 -13.656 -23.599 3.362 280 1HG GLN 36 1HG GLN 36 -14.618 -24.226 0.980 281 2HG GLN 36 2HG GLN 36 -13.241 -23.262 0.447 282 1HE2 GLN 36 1HE2 GLN 36 -13.667 -26.077 0.072 283 2HE2 GLN 36 2HE2 GLN 36 -12.361 -26.892 0.854 284 H GLU 37 H GLU 37 -17.460 -22.881 1.809 285 HA GLU 37 HA GLU 37 -18.236 -24.143 4.320 286 1HB GLU 37 1HB GLU 37 -19.698 -23.131 1.920 287 2HB GLU 37 2HB GLU 37 -20.463 -24.361 2.916 288 1HG GLU 37 1HG GLU 37 -20.048 -22.845 4.889 289 2HG GLU 37 2HG GLU 37 -19.609 -21.599 3.722 290 H GLY 38 H GLY 38 -18.221 -24.943 0.845 291 1HA GLY 38 1HA GLY 38 -17.964 -27.781 1.622 292 2HA GLY 38 2HA GLY 38 -19.041 -27.279 0.328 293 H ASP 39 H ASP 39 -18.252 -27.044 -1.692 294 HA ASP 39 HA ASP 39 -15.334 -27.292 -2.028 295 1HB ASP 39 1HB ASP 39 -15.741 -28.595 -4.061 296 2HB ASP 39 2HB ASP 39 -16.484 -29.369 -2.664 297 H LYS 40 H LYS 40 -16.677 -24.825 -1.839 298 HA LYS 40 HA LYS 40 -15.794 -23.596 -4.261 299 1HB LYS 40 1HB LYS 40 -18.068 -22.515 -4.706 300 2HB LYS 40 2HB LYS 40 -17.865 -24.188 -5.208 301 1HG LYS 40 1HG LYS 40 -19.164 -24.992 -3.420 302 2HG LYS 40 2HG LYS 40 -19.097 -23.444 -2.573 303 1HD LYS 40 1HD LYS 40 -20.351 -23.674 -5.289 304 2HD LYS 40 2HD LYS 40 -21.261 -24.069 -3.829 305 1HE LYS 40 1HE LYS 40 -21.125 -21.881 -3.015 306 2HE LYS 40 2HE LYS 40 -19.797 -21.465 -4.098 307 1HZ LYS 40 1HZ LYS 40 -21.375 -20.561 -5.362 308 2HZ LYS 40 2HZ LYS 40 -22.630 -21.357 -4.555 309 3HZ LYS 40 3HZ LYS 40 -21.793 -22.141 -5.798 310 H CYS 41 H CYS 41 -16.337 -21.171 -4.211 311 HA CYS 41 HA CYS 41 -15.791 -20.236 -1.507 312 1HB CYS 41 1HB CYS 41 -15.797 -18.695 -4.111 313 2HB CYS 41 2HB CYS 41 -15.183 -18.124 -2.563 314 H VAL 42 H VAL 42 -17.110 -18.954 -0.319 315 HA VAL 42 HA VAL 42 -19.621 -18.034 -1.542 316 HB VAL 42 HB VAL 42 -20.718 -18.603 0.708 317 1HG1 VAL 42 1HG1 VAL 42 -21.698 -20.177 -0.512 318 2HG1 VAL 42 2HG1 VAL 42 -20.379 -20.062 -1.678 319 3HG1 VAL 42 3HG1 VAL 42 -20.288 -21.223 -0.353 320 1HG2 VAL 42 1HG2 VAL 42 -19.725 -20.532 1.880 321 2HG2 VAL 42 2HG2 VAL 42 -18.296 -20.397 0.855 322 3HG2 VAL 42 3HG2 VAL 42 -18.709 -19.093 1.968 323 H GLU 43 H GLU 43 -19.668 -15.899 -1.359 324 HA GLU 43 HA GLU 43 -18.056 -14.432 0.447 325 1HB GLU 43 1HB GLU 43 -19.189 -13.763 -1.844 326 2HB GLU 43 2HB GLU 43 -20.486 -13.215 -0.792 327 1HG GLU 43 1HG GLU 43 -17.732 -12.357 -0.124 328 2HG GLU 43 2HG GLU 43 -18.494 -11.638 -1.541 329 H ASN 44 H ASN 44 -18.515 -15.149 2.538 330 HA ASN 44 HA ASN 44 -19.595 -15.257 4.541 331 1HB ASN 44 1HB ASN 44 -19.371 -12.843 4.410 332 2HB ASN 44 2HB ASN 44 -20.834 -12.728 3.437 333 1HD2 ASN 44 1HD2 ASN 44 -20.037 -14.501 6.403 334 2HD2 ASN 44 2HD2 ASN 44 -21.327 -13.842 7.346 335 HA PRO 45 HA PRO 45 -23.336 -17.257 2.690 336 1HB PRO 45 1HB PRO 45 -22.937 -19.648 3.913 337 2HB PRO 45 2HB PRO 45 -22.186 -19.221 2.371 338 1HG PRO 45 1HG PRO 45 -21.024 -19.142 5.128 339 2HG PRO 45 2HG PRO 45 -20.289 -19.717 3.621 340 1HD PRO 45 1HD PRO 45 -19.746 -17.280 4.668 341 2HD PRO 45 2HD PRO 45 -19.757 -17.587 2.920 342 H ASN 46 H ASN 46 -22.139 -16.636 5.851 343 HA ASN 46 HA ASN 46 -24.819 -17.111 6.982 344 1HB ASN 46 1HB ASN 46 -22.110 -17.240 8.321 345 2HB ASN 46 2HB ASN 46 -23.639 -17.289 9.195 346 1HD2 ASN 46 1HD2 ASN 46 -25.090 -19.052 8.738 347 2HD2 ASN 46 2HD2 ASN 46 -24.448 -20.577 8.241 348 HA PRO 47 HA PRO 47 -23.925 -12.536 7.041 349 1HB PRO 47 1HB PRO 47 -26.324 -11.804 6.001 350 2HB PRO 47 2HB PRO 47 -24.925 -12.209 4.998 351 1HG PRO 47 1HG PRO 47 -27.282 -13.901 5.734 352 2HG PRO 47 2HG PRO 47 -26.476 -13.728 4.165 353 1HD PRO 47 1HD PRO 47 -26.027 -15.832 5.809 354 2HD PRO 47 2HD PRO 47 -24.773 -15.173 4.739 355 H THR 48 H THR 48 -27.051 -14.133 7.679 356 HA THR 48 HA THR 48 -27.476 -12.342 9.957 357 HB THR 48 HB THR 48 -29.350 -12.578 8.396 358 HG1 THR 48 HG1 THR 48 -30.523 -12.346 10.131 359 1HG2 THR 48 1HG2 THR 48 -29.057 -14.766 7.513 360 2HG2 THR 48 2HG2 THR 48 -30.584 -14.785 8.394 361 3HG2 THR 48 3HG2 THR 48 -29.141 -15.497 9.115 362 1HN NH2 49 1HN THR 49 -27.408 -14.673 12.579 363 2HN NH2 49 2HN THR 49 -27.834 -13.076 12.062 Start of MODEL 13 1 1H ASN 1 1HT ASN 1 -2.381 -8.155 2.892 2 HA ASN 1 HA ASN 1 -3.433 -7.034 0.867 3 1HB ASN 1 1HB ASN 1 -3.771 -4.831 2.042 4 2HB ASN 1 2HB ASN 1 -4.152 -6.250 3.014 5 1HD2 ASN 1 1HD2 ASN 1 -2.450 -3.374 2.870 6 2HD2 ASN 1 2HD2 ASN 1 -1.440 -3.600 4.254 7 H ILE 2 H ILE 2 -1.064 -7.406 -0.276 8 HA ILE 2 HA ILE 2 -0.427 -4.755 -1.303 9 HB ILE 2 HB ILE 2 1.996 -5.135 -1.188 10 1HG1 ILE 2 1HG1 ILE 2 2.524 -6.975 0.698 11 2HG1 ILE 2 2HG1 ILE 2 1.091 -7.709 -0.013 12 1HG2 ILE 2 1HG2 ILE 2 0.871 -5.393 1.584 13 2HG2 ILE 2 2HG2 ILE 2 2.277 -4.475 1.049 14 3HG2 ILE 2 3HG2 ILE 2 0.656 -3.937 0.614 15 1HD1 ILE 2 1HD1 ILE 2 2.352 -8.541 -1.621 16 2HD1 ILE 2 2HD1 ILE 2 2.754 -6.904 -2.141 17 3HD1 ILE 2 3HD1 ILE 2 3.770 -7.728 -0.958 18 H SER 3 H SER 3 0.487 -4.765 -3.392 19 HA SER 3 HA SER 3 0.028 -7.274 -4.840 20 1HB SER 3 1HB SER 3 0.189 -4.408 -5.795 21 2HB SER 3 2HB SER 3 0.025 -5.795 -6.873 22 HG SER 3 HG SER 3 -1.964 -6.229 -6.000 23 H GLN 4 H GLN 4 1.866 -8.440 -4.821 24 HA GLN 4 HA GLN 4 4.325 -7.102 -5.741 25 1HB GLN 4 1HB GLN 4 5.635 -8.525 -4.368 26 2HB GLN 4 2HB GLN 4 4.333 -7.926 -3.349 27 1HG GLN 4 1HG GLN 4 3.112 -10.070 -3.844 28 2HG GLN 4 2HG GLN 4 4.604 -10.650 -4.583 29 1HE2 GLN 4 1HE2 GLN 4 6.470 -10.867 -3.252 30 2HE2 GLN 4 2HE2 GLN 4 6.308 -11.120 -1.551 31 H HIS 5 H HIS 5 1.957 -9.286 -6.540 32 HA HIS 5 HA HIS 5 3.134 -10.074 -8.944 33 1HB HIS 5 1HB HIS 5 3.352 -12.567 -8.375 34 2HB HIS 5 2HB HIS 5 4.643 -11.499 -7.834 35 HD1 HIS 5 HD1 HIS 5 5.281 -13.148 -5.942 36 HD2 HIS 5 HD2 HIS 5 1.406 -11.673 -5.684 37 HE1 HIS 5 HE1 HIS 5 4.485 -13.750 -3.634 38 H GLN 6 H GLN 6 1.852 -11.814 -10.056 39 HA GLN 6 HA GLN 6 -0.760 -12.368 -8.927 40 1HB GLN 6 1HB GLN 6 -0.461 -10.745 -11.460 41 2HB GLN 6 2HB GLN 6 -1.974 -11.389 -10.838 42 1HG GLN 6 1HG GLN 6 -1.686 -10.018 -8.809 43 2HG GLN 6 2HG GLN 6 -0.227 -9.326 -9.516 44 1HE2 GLN 6 1HE2 GLN 6 -3.696 -9.711 -10.001 45 2HE2 GLN 6 2HE2 GLN 6 -3.916 -8.253 -10.901 46 H CYS 7 H CYS 7 -2.119 -13.341 -10.992 47 HA CYS 7 HA CYS 7 -0.440 -15.566 -11.885 48 1HB CYS 7 1HB CYS 7 -3.439 -15.379 -12.130 49 2HB CYS 7 2HB CYS 7 -2.434 -16.824 -12.156 50 H VAL 8 H VAL 8 0.177 -15.783 -13.934 51 HA VAL 8 HA VAL 8 -1.266 -14.267 -16.008 52 HB VAL 8 HB VAL 8 0.977 -14.046 -17.172 53 1HG1 VAL 8 1HG1 VAL 8 1.563 -12.034 -15.981 54 2HG1 VAL 8 2HG1 VAL 8 -0.194 -12.193 -16.021 55 3HG1 VAL 8 3HG1 VAL 8 0.695 -12.586 -14.549 56 1HG2 VAL 8 1HG2 VAL 8 2.841 -14.847 -16.257 57 2HG2 VAL 8 2HG2 VAL 8 2.497 -14.059 -14.717 58 3HG2 VAL 8 3HG2 VAL 8 1.827 -15.654 -15.060 59 H LYS 9 H LYS 9 -0.529 -17.246 -14.913 60 HA LYS 9 HA LYS 9 -0.949 -18.435 -17.539 61 1HB LYS 9 1HB LYS 9 1.344 -19.258 -15.747 62 2HB LYS 9 2HB LYS 9 0.868 -20.063 -17.236 63 1HG LYS 9 1HG LYS 9 1.787 -17.202 -17.080 64 2HG LYS 9 2HG LYS 9 2.835 -18.568 -17.467 65 1HD LYS 9 1HD LYS 9 1.721 -18.992 -19.487 66 2HD LYS 9 2HD LYS 9 0.323 -18.020 -19.020 67 1HE LYS 9 1HE LYS 9 1.647 -16.839 -20.671 68 2HE LYS 9 2HE LYS 9 1.719 -15.999 -19.123 69 1HZ LYS 9 1HZ LYS 9 3.890 -16.730 -18.751 70 2HZ LYS 9 2HZ LYS 9 3.881 -16.293 -20.384 71 3HZ LYS 9 3HZ LYS 9 3.807 -17.925 -19.945 72 H LYS 10 H LYS 10 -2.371 -18.086 -14.914 73 HA LYS 10 HA LYS 10 -3.149 -20.896 -14.610 74 1HB LYS 10 1HB LYS 10 -1.696 -20.520 -12.734 75 2HB LYS 10 2HB LYS 10 -2.487 -18.995 -12.359 76 1HG LYS 10 1HG LYS 10 -3.205 -20.647 -10.787 77 2HG LYS 10 2HG LYS 10 -4.560 -20.249 -11.846 78 1HD LYS 10 1HD LYS 10 -4.719 -22.523 -11.892 79 2HD LYS 10 2HD LYS 10 -3.587 -22.296 -13.228 80 1HE LYS 10 1HE LYS 10 -1.804 -22.465 -11.296 81 2HE LYS 10 2HE LYS 10 -3.105 -23.323 -10.473 82 1HZ LYS 10 1HZ LYS 10 -2.089 -25.037 -11.547 83 2HZ LYS 10 2HZ LYS 10 -1.590 -24.092 -12.858 84 3HZ LYS 10 3HZ LYS 10 -3.201 -24.596 -12.743 85 H GLN 11 H GLN 11 -5.282 -21.165 -14.738 86 HA GLN 11 HA GLN 11 -6.999 -18.877 -15.005 87 1HB GLN 11 1HB GLN 11 -7.367 -21.842 -15.238 88 2HB GLN 11 2HB GLN 11 -8.772 -20.789 -15.147 89 1HG GLN 11 1HG GLN 11 -7.729 -19.505 -17.083 90 2HG GLN 11 2HG GLN 11 -6.648 -20.887 -17.258 91 1HE2 GLN 11 1HE2 GLN 11 -7.627 -22.976 -17.641 92 2HE2 GLN 11 2HE2 GLN 11 -9.123 -23.067 -18.500 93 H CYS 12 H CYS 12 -8.198 -17.945 -13.483 94 HA CYS 12 HA CYS 12 -8.925 -19.468 -11.088 95 1HB CYS 12 1HB CYS 12 -7.746 -16.686 -10.976 96 2HB CYS 12 2HB CYS 12 -8.245 -17.674 -9.607 97 HA PRO 13 HA PRO 13 -12.857 -17.571 -11.540 98 1HB PRO 13 1HB PRO 13 -13.672 -17.419 -8.955 99 2HB PRO 13 2HB PRO 13 -13.582 -18.943 -9.846 100 1HG PRO 13 1HG PRO 13 -11.640 -17.774 -7.890 101 2HG PRO 13 2HG PRO 13 -12.207 -19.448 -8.039 102 1HD PRO 13 1HD PRO 13 -9.814 -18.629 -9.006 103 2HD PRO 13 2HD PRO 13 -10.766 -19.914 -9.777 104 H GLN 14 H GLN 14 -14.233 -15.732 -10.617 105 HA GLN 14 HA GLN 14 -12.518 -13.377 -10.381 106 1HB GLN 14 1HB GLN 14 -15.336 -13.847 -11.262 107 2HB GLN 14 2HB GLN 14 -14.882 -12.252 -10.678 108 1HG GLN 14 1HG GLN 14 -14.713 -12.338 -13.079 109 2HG GLN 14 2HG GLN 14 -13.113 -12.146 -12.367 110 1HE2 GLN 14 1HE2 GLN 14 -15.191 -14.968 -12.903 111 2HE2 GLN 14 2HE2 GLN 14 -14.028 -15.868 -13.809 112 H ASN 15 H ASN 15 -13.979 -15.457 -8.329 113 HA ASN 15 HA ASN 15 -14.676 -13.370 -6.375 114 1HB ASN 15 1HB ASN 15 -15.502 -16.270 -6.570 115 2HB ASN 15 2HB ASN 15 -15.829 -15.266 -5.160 116 1HD2 ASN 15 1HD2 ASN 15 -17.414 -13.732 -5.247 117 2HD2 ASN 15 2HD2 ASN 15 -18.514 -13.580 -6.571 118 H SER 16 H SER 16 -12.021 -14.796 -7.191 119 HA SER 16 HA SER 16 -11.149 -15.258 -4.419 120 1HB SER 16 1HB SER 16 -10.195 -16.837 -6.819 121 2HB SER 16 2HB SER 16 -9.711 -17.079 -5.141 122 HG SER 16 HG SER 16 -12.378 -17.322 -6.077 123 H GLY 17 H GLY 17 -8.820 -14.942 -4.089 124 1HA GLY 17 1HA GLY 17 -7.787 -12.869 -5.921 125 2HA GLY 17 2HA GLY 17 -7.466 -12.914 -4.194 126 H CYS 18 H CYS 18 -7.087 -15.035 -7.037 127 HA CYS 18 HA CYS 18 -5.089 -16.669 -6.106 128 1HB CYS 18 1HB CYS 18 -4.721 -17.304 -8.306 129 2HB CYS 18 2HB CYS 18 -6.338 -16.614 -8.402 130 H PHE 19 H PHE 19 -2.758 -16.690 -6.779 131 HA PHE 19 HA PHE 19 -1.377 -14.313 -7.396 132 1HB PHE 19 1HB PHE 19 -0.459 -13.661 -5.301 133 2HB PHE 19 2HB PHE 19 -2.196 -13.799 -5.050 134 HD1 PHE 19 HD1 PHE 19 -2.907 -16.315 -4.348 135 HD2 PHE 19 HD2 PHE 19 0.864 -14.478 -3.628 136 HE1 PHE 19 HE1 PHE 19 -2.515 -17.863 -2.476 137 HE2 PHE 19 HE2 PHE 19 1.263 -16.023 -1.756 138 HZ PHE 19 HZ PHE 19 -0.427 -17.719 -1.178 139 H ARG 20 H ARG 20 0.697 -14.753 -7.953 140 HA ARG 20 HA ARG 20 1.507 -17.520 -7.934 141 1HB ARG 20 1HB ARG 20 1.843 -15.667 -9.781 142 2HB ARG 20 2HB ARG 20 3.303 -15.320 -8.864 143 1HG ARG 20 1HG ARG 20 4.354 -17.123 -9.645 144 2HG ARG 20 2HG ARG 20 2.943 -18.157 -9.410 145 1HD ARG 20 1HD ARG 20 2.411 -18.042 -11.568 146 2HD ARG 20 2HD ARG 20 2.503 -16.282 -11.555 147 HE ARG 20 HE ARG 20 4.435 -18.066 -12.605 148 1HH1 ARG 20 1HH1 ARG 20 4.122 -15.058 -10.880 149 2HH1 ARG 20 2HH1 ARG 20 5.624 -14.419 -11.459 150 1HH2 ARG 20 1HH2 ARG 20 6.415 -17.235 -13.374 151 2HH2 ARG 20 2HH2 ARG 20 6.928 -15.658 -12.878 152 H HIS 21 H HIS 21 2.454 -18.384 -6.215 153 HA HIS 21 HA HIS 21 3.549 -16.998 -4.064 154 1HB HIS 21 1HB HIS 21 3.668 -19.816 -5.025 155 2HB HIS 21 2HB HIS 21 4.812 -19.326 -3.779 156 HD1 HIS 21 HD1 HIS 21 3.593 -18.166 -1.600 157 HD2 HIS 21 HD2 HIS 21 1.260 -20.577 -4.050 158 HE1 HIS 21 HE1 HIS 21 1.584 -18.784 -0.219 159 H LEU 22 H LEU 22 5.912 -17.434 -3.318 160 HA LEU 22 HA LEU 22 7.614 -16.066 -5.155 161 1HB LEU 22 1HB LEU 22 8.423 -17.450 -2.608 162 2HB LEU 22 2HB LEU 22 9.268 -16.143 -3.434 163 HG LEU 22 HG LEU 22 6.663 -15.964 -1.928 164 1HD1 LEU 22 1HD1 LEU 22 8.021 -14.282 -0.620 165 2HD1 LEU 22 2HD1 LEU 22 9.442 -14.925 -1.443 166 3HD1 LEU 22 3HD1 LEU 22 8.471 -15.975 -0.412 167 1HD2 LEU 22 1HD2 LEU 22 6.468 -14.548 -3.848 168 2HD2 LEU 22 2HD2 LEU 22 8.094 -13.907 -3.604 169 3HD2 LEU 22 3HD2 LEU 22 6.814 -13.532 -2.448 170 H ASP 23 H ASP 23 6.755 -19.278 -4.858 171 HA ASP 23 HA ASP 23 9.284 -20.203 -6.049 172 1HB ASP 23 1HB ASP 23 8.156 -22.519 -5.483 173 2HB ASP 23 2HB ASP 23 8.998 -21.601 -4.238 174 H GLU 24 H GLU 24 6.962 -18.831 -7.361 175 HA GLU 24 HA GLU 24 5.871 -18.930 -9.355 176 1HB GLU 24 1HB GLU 24 7.350 -21.491 -9.926 177 2HB GLU 24 2HB GLU 24 6.731 -20.315 -11.077 178 1HG GLU 24 1HG GLU 24 8.384 -18.679 -10.044 179 2HG GLU 24 2HG GLU 24 9.119 -20.088 -9.281 180 H ARG 25 H ARG 25 4.532 -19.939 -7.166 181 HA ARG 25 HA ARG 25 2.972 -22.125 -8.376 182 1HB ARG 25 1HB ARG 25 4.408 -22.731 -6.329 183 2HB ARG 25 2HB ARG 25 3.264 -21.768 -5.403 184 1HG ARG 25 1HG ARG 25 2.429 -23.903 -5.170 185 2HG ARG 25 2HG ARG 25 1.472 -23.267 -6.509 186 1HD ARG 25 1HD ARG 25 2.097 -25.360 -7.282 187 2HD ARG 25 2HD ARG 25 3.313 -24.304 -8.001 188 HE ARG 25 HE ARG 25 4.163 -25.328 -5.484 189 1HH1 ARG 25 1HH1 ARG 25 3.799 -26.143 -8.849 190 2HH1 ARG 25 2HH1 ARG 25 5.059 -27.332 -8.832 191 1HH2 ARG 25 1HH2 ARG 25 5.824 -26.892 -5.449 192 2HH2 ARG 25 2HH2 ARG 25 6.209 -27.758 -6.897 193 H GLU 26 H GLU 26 1.209 -21.097 -9.116 194 HA GLU 26 HA GLU 26 0.036 -18.861 -7.756 195 1HB GLU 26 1HB GLU 26 -0.995 -20.511 -10.070 196 2HB GLU 26 2HB GLU 26 -1.698 -19.000 -9.511 197 1HG GLU 26 1HG GLU 26 -0.272 -17.815 -10.716 198 2HG GLU 26 2HG GLU 26 1.107 -18.663 -10.019 199 H GLU 27 H GLU 27 -1.592 -18.832 -6.329 200 HA GLU 27 HA GLU 27 -3.056 -21.342 -5.847 201 1HB GLU 27 1HB GLU 27 -1.240 -20.290 -4.107 202 2HB GLU 27 2HB GLU 27 -2.725 -19.542 -3.538 203 1HG GLU 27 1HG GLU 27 -2.620 -22.485 -4.032 204 2HG GLU 27 2HG GLU 27 -1.963 -21.804 -2.544 205 H CYS 28 H CYS 28 -4.911 -20.785 -6.913 206 HA CYS 28 HA CYS 28 -6.154 -18.229 -6.652 207 1HB CYS 28 1HB CYS 28 -7.489 -20.769 -7.585 208 2HB CYS 28 2HB CYS 28 -7.901 -19.111 -8.011 209 H LYS 29 H LYS 29 -6.155 -18.142 -4.288 210 HA LYS 29 HA LYS 29 -8.213 -19.793 -3.011 211 1HB LYS 29 1HB LYS 29 -7.260 -19.186 -0.920 212 2HB LYS 29 2HB LYS 29 -5.914 -19.561 -1.988 213 1HG LYS 29 1HG LYS 29 -5.768 -17.063 -2.429 214 2HG LYS 29 2HG LYS 29 -6.857 -16.870 -1.053 215 1HD LYS 29 1HD LYS 29 -4.317 -18.460 -0.846 216 2HD LYS 29 2HD LYS 29 -4.337 -16.710 -0.614 217 1HE LYS 29 1HE LYS 29 -5.897 -16.924 1.210 218 2HE LYS 29 2HE LYS 29 -6.055 -18.656 0.921 219 1HZ LYS 29 1HZ LYS 29 -4.576 -18.480 2.693 220 2HZ LYS 29 2HZ LYS 29 -3.735 -17.183 2.007 221 3HZ LYS 29 3HZ LYS 29 -3.567 -18.736 1.359 222 H CYS 30 H CYS 30 -9.943 -18.888 -1.880 223 HA CYS 30 HA CYS 30 -11.132 -16.621 -3.015 224 1HB CYS 30 1HB CYS 30 -11.806 -17.701 -0.281 225 2HB CYS 30 2HB CYS 30 -12.878 -16.903 -1.427 226 H LEU 31 H LEU 31 -11.475 -14.531 -2.243 227 HA LEU 31 HA LEU 31 -9.319 -13.242 -1.055 228 1HB LEU 31 1HB LEU 31 -12.195 -12.342 -1.139 229 2HB LEU 31 2HB LEU 31 -10.802 -11.308 -0.826 230 HG LEU 31 HG LEU 31 -10.731 -12.792 -3.371 231 1HD1 LEU 31 1HD1 LEU 31 -12.986 -12.320 -3.611 232 2HD1 LEU 31 2HD1 LEU 31 -12.215 -10.918 -4.352 233 3HD1 LEU 31 3HD1 LEU 31 -12.869 -10.803 -2.718 234 1HD2 LEU 31 1HD2 LEU 31 -9.818 -10.249 -2.213 235 2HD2 LEU 31 2HD2 LEU 31 -10.298 -10.175 -3.909 236 3HD2 LEU 31 3HD2 LEU 31 -9.045 -11.305 -3.395 237 H LEU 32 H LEU 32 -9.840 -11.684 0.950 238 HA LEU 32 HA LEU 32 -9.994 -13.442 3.208 239 1HB LEU 32 1HB LEU 32 -9.554 -10.505 2.842 240 2HB LEU 32 2HB LEU 32 -9.848 -11.170 4.447 241 HG LEU 32 HG LEU 32 -7.863 -12.663 4.090 242 1HD1 LEU 32 1HD1 LEU 32 -7.645 -10.979 1.615 243 2HD1 LEU 32 2HD1 LEU 32 -7.603 -12.736 1.761 244 3HD1 LEU 32 3HD1 LEU 32 -6.246 -11.771 2.340 245 1HD2 LEU 32 1HD2 LEU 32 -7.578 -9.671 4.123 246 2HD2 LEU 32 2HD2 LEU 32 -6.207 -10.757 4.344 247 3HD2 LEU 32 3HD2 LEU 32 -7.551 -10.791 5.485 248 H ASN 33 H ASN 33 -12.321 -11.982 1.359 249 HA ASN 33 HA ASN 33 -14.198 -11.745 3.614 250 1HB ASN 33 1HB ASN 33 -14.621 -10.684 0.819 251 2HB ASN 33 2HB ASN 33 -15.520 -10.274 2.277 252 1HD2 ASN 33 1HD2 ASN 33 -12.507 -9.886 0.563 253 2HD2 ASN 33 2HD2 ASN 33 -11.965 -8.495 1.433 254 H TYR 34 H TYR 34 -13.352 -14.246 2.327 255 HA TYR 34 HA TYR 34 -16.018 -15.188 1.537 256 1HB TYR 34 1HB TYR 34 -13.417 -15.743 0.111 257 2HB TYR 34 2HB TYR 34 -14.856 -16.731 -0.111 258 HD1 TYR 34 HD1 TYR 34 -13.774 -13.158 -0.258 259 HD2 TYR 34 HD2 TYR 34 -16.321 -16.189 -1.817 260 HE1 TYR 34 HE1 TYR 34 -14.576 -11.592 -1.976 261 HE2 TYR 34 HE2 TYR 34 -17.129 -14.631 -3.540 262 HH TYR 34 HH TYR 34 -16.107 -11.247 -3.583 263 H LYS 35 H LYS 35 -16.641 -16.683 2.932 264 HA LYS 35 HA LYS 35 -14.599 -18.326 4.267 265 1HB LYS 35 1HB LYS 35 -16.528 -18.815 5.878 266 2HB LYS 35 2HB LYS 35 -15.837 -17.198 5.916 267 1HG LYS 35 1HG LYS 35 -17.683 -16.375 4.543 268 2HG LYS 35 2HG LYS 35 -18.378 -17.997 4.510 269 1HD LYS 35 1HD LYS 35 -17.900 -16.348 6.993 270 2HD LYS 35 2HD LYS 35 -19.457 -16.555 6.187 271 1HE LYS 35 1HE LYS 35 -17.786 -18.715 7.469 272 2HE LYS 35 2HE LYS 35 -19.300 -18.053 8.083 273 1HZ LYS 35 1HZ LYS 35 -20.391 -18.890 6.057 274 2HZ LYS 35 2HZ LYS 35 -19.724 -20.129 6.995 275 3HZ LYS 35 3HZ LYS 35 -18.939 -19.619 5.586 276 H GLN 36 H GLN 36 -14.318 -20.036 2.910 277 HA GLN 36 HA GLN 36 -16.149 -21.311 1.313 278 1HB GLN 36 1HB GLN 36 -13.573 -21.704 1.712 279 2HB GLN 36 2HB GLN 36 -14.148 -22.976 2.781 280 1HG GLN 36 1HG GLN 36 -15.484 -23.857 0.847 281 2HG GLN 36 2HG GLN 36 -14.626 -22.701 -0.172 282 1HE2 GLN 36 1HE2 GLN 36 -14.601 -25.780 1.139 283 2HE2 GLN 36 2HE2 GLN 36 -12.968 -26.208 0.771 284 H GLU 37 H GLU 37 -17.987 -22.337 1.703 285 HA GLU 37 HA GLU 37 -18.395 -23.522 4.368 286 1HB GLU 37 1HB GLU 37 -19.900 -21.624 3.745 287 2HB GLU 37 2HB GLU 37 -20.512 -22.602 2.419 288 1HG GLU 37 1HG GLU 37 -21.454 -24.189 3.917 289 2HG GLU 37 2HG GLU 37 -20.648 -23.449 5.299 290 H GLY 38 H GLY 38 -18.410 -24.091 0.949 291 1HA GLY 38 1HA GLY 38 -18.940 -26.937 1.481 292 2HA GLY 38 2HA GLY 38 -19.826 -26.117 0.204 293 H ASP 39 H ASP 39 -18.977 -26.112 -1.777 294 HA ASP 39 HA ASP 39 -16.115 -26.759 -2.055 295 1HB ASP 39 1HB ASP 39 -18.485 -27.855 -3.551 296 2HB ASP 39 2HB ASP 39 -16.871 -27.876 -4.257 297 H LYS 40 H LYS 40 -16.904 -24.152 -1.942 298 HA LYS 40 HA LYS 40 -15.861 -23.074 -4.306 299 1HB LYS 40 1HB LYS 40 -17.924 -21.885 -5.118 300 2HB LYS 40 2HB LYS 40 -17.905 -23.620 -5.409 301 1HG LYS 40 1HG LYS 40 -19.518 -24.038 -3.794 302 2HG LYS 40 2HG LYS 40 -19.242 -22.496 -2.980 303 1HD LYS 40 1HD LYS 40 -20.226 -22.511 -5.800 304 2HD LYS 40 2HD LYS 40 -21.357 -22.842 -4.485 305 1HE LYS 40 1HE LYS 40 -20.977 -20.729 -3.500 306 2HE LYS 40 2HE LYS 40 -19.552 -20.437 -4.496 307 1HZ LYS 40 1HZ LYS 40 -21.904 -19.396 -5.052 308 2HZ LYS 40 2HZ LYS 40 -22.082 -20.856 -5.887 309 3HZ LYS 40 3HZ LYS 40 -20.800 -19.818 -6.262 310 H CYS 41 H CYS 41 -16.067 -20.650 -4.358 311 HA CYS 41 HA CYS 41 -15.703 -19.642 -1.684 312 1HB CYS 41 1HB CYS 41 -15.604 -18.203 -4.344 313 2HB CYS 41 2HB CYS 41 -15.077 -17.541 -2.800 314 H VAL 42 H VAL 42 -16.958 -18.179 -0.594 315 HA VAL 42 HA VAL 42 -19.468 -17.321 -1.857 316 HB VAL 42 HB VAL 42 -20.591 -17.724 0.390 317 1HG1 VAL 42 1HG1 VAL 42 -21.492 -19.281 -0.924 318 2HG1 VAL 42 2HG1 VAL 42 -19.959 -19.584 -1.744 319 3HG1 VAL 42 3HG1 VAL 42 -20.327 -20.407 -0.228 320 1HG2 VAL 42 1HG2 VAL 42 -18.097 -19.369 0.779 321 2HG2 VAL 42 2HG2 VAL 42 -18.688 -18.055 1.796 322 3HG2 VAL 42 3HG2 VAL 42 -19.571 -19.580 1.725 323 H GLU 43 H GLU 43 -19.493 -15.179 -1.820 324 HA GLU 43 HA GLU 43 -17.847 -13.621 -0.113 325 1HB GLU 43 1HB GLU 43 -19.188 -11.695 -1.045 326 2HB GLU 43 2HB GLU 43 -18.387 -12.708 -2.239 327 1HG GLU 43 1HG GLU 43 -20.308 -13.144 -3.239 328 2HG GLU 43 2HG GLU 43 -21.019 -13.712 -1.729 329 H ASN 44 H ASN 44 -18.427 -14.335 1.996 330 HA ASN 44 HA ASN 44 -19.577 -14.314 3.966 331 1HB ASN 44 1HB ASN 44 -19.067 -11.952 3.852 332 2HB ASN 44 2HB ASN 44 -20.451 -11.663 2.801 333 1HD2 ASN 44 1HD2 ASN 44 -20.028 -13.479 5.818 334 2HD2 ASN 44 2HD2 ASN 44 -21.278 -12.660 6.685 335 HA PRO 45 HA PRO 45 -23.476 -15.871 2.016 336 1HB PRO 45 1HB PRO 45 -23.395 -18.285 3.255 337 2HB PRO 45 2HB PRO 45 -22.559 -17.958 1.732 338 1HG PRO 45 1HG PRO 45 -21.468 -18.002 4.519 339 2HG PRO 45 2HG PRO 45 -20.767 -18.668 3.033 340 1HD PRO 45 1HD PRO 45 -19.968 -16.307 4.090 341 2HD PRO 45 2HD PRO 45 -19.969 -16.620 2.342 342 H ASN 46 H ASN 46 -22.323 -16.258 5.358 343 HA ASN 46 HA ASN 46 -24.925 -15.301 6.304 344 1HB ASN 46 1HB ASN 46 -23.676 -17.937 6.895 345 2HB ASN 46 2HB ASN 46 -24.467 -17.103 8.229 346 1HD2 ASN 46 1HD2 ASN 46 -24.926 -19.316 5.893 347 2HD2 ASN 46 2HD2 ASN 46 -26.636 -19.185 5.681 348 HA PRO 47 HA PRO 47 -22.640 -12.872 9.153 349 1HB PRO 47 1HB PRO 47 -24.209 -12.931 11.368 350 2HB PRO 47 2HB PRO 47 -24.644 -12.037 9.906 351 1HG PRO 47 1HG PRO 47 -25.570 -14.731 10.825 352 2HG PRO 47 2HG PRO 47 -26.511 -13.407 10.114 353 1HD PRO 47 1HD PRO 47 -25.702 -15.554 8.677 354 2HD PRO 47 2HD PRO 47 -25.868 -13.936 7.965 355 H THR 48 H THR 48 -23.381 -16.150 9.952 356 HA THR 48 HA THR 48 -21.283 -16.133 12.023 357 HB THR 48 HB THR 48 -22.474 -18.436 12.586 358 HG1 THR 48 HG1 THR 48 -24.444 -18.607 11.818 359 1HG2 THR 48 1HG2 THR 48 -23.078 -17.390 14.479 360 2HG2 THR 48 2HG2 THR 48 -24.113 -16.248 13.622 361 3HG2 THR 48 3HG2 THR 48 -22.379 -15.949 13.742 362 1HN NH2 49 1HN THR 49 -19.317 -18.572 10.506 363 2HN NH2 49 2HN THR 49 -19.538 -17.431 11.790 Start of MODEL 14 1 1H ASN 1 1HT ASN 1 -2.522 -1.586 -2.074 2 HA ASN 1 HA ASN 1 -0.083 -2.832 -1.177 3 1HB ASN 1 1HB ASN 1 -2.731 -3.856 -2.168 4 2HB ASN 1 2HB ASN 1 -1.365 -4.947 -1.956 5 1HD2 ASN 1 1HD2 ASN 1 -3.102 -2.393 -0.213 6 2HD2 ASN 1 2HD2 ASN 1 -3.046 -3.172 1.328 7 H ILE 2 H ILE 2 1.629 -2.785 -2.487 8 HA ILE 2 HA ILE 2 1.254 -3.650 -5.272 9 HB ILE 2 HB ILE 2 3.307 -2.075 -5.707 10 1HG1 ILE 2 1HG1 ILE 2 3.184 0.002 -4.388 11 2HG1 ILE 2 2HG1 ILE 2 1.940 -0.717 -3.372 12 1HG2 ILE 2 1HG2 ILE 2 0.998 -0.341 -5.533 13 2HG2 ILE 2 2HG2 ILE 2 1.832 -0.969 -6.953 14 3HG2 ILE 2 3HG2 ILE 2 0.577 -1.930 -6.172 15 1HD1 ILE 2 1HD1 ILE 2 4.529 -2.139 -3.615 16 2HD1 ILE 2 2HD1 ILE 2 4.468 -0.664 -2.648 17 3HD1 ILE 2 3HD1 ILE 2 3.419 -2.024 -2.249 18 H SER 3 H SER 3 2.215 -4.889 -2.676 19 HA SER 3 HA SER 3 4.807 -5.844 -3.702 20 1HB SER 3 1HB SER 3 5.775 -5.786 -1.608 21 2HB SER 3 2HB SER 3 4.697 -4.396 -1.487 22 HG SER 3 HG SER 3 4.203 -5.512 0.287 23 H GLN 4 H GLN 4 2.023 -6.845 -4.035 24 HA GLN 4 HA GLN 4 2.427 -9.526 -2.881 25 1HB GLN 4 1HB GLN 4 -0.077 -7.902 -3.189 26 2HB GLN 4 2HB GLN 4 -0.157 -9.658 -3.151 27 1HG GLN 4 1HG GLN 4 1.273 -9.364 -0.976 28 2HG GLN 4 2HG GLN 4 0.578 -7.744 -0.998 29 1HE2 GLN 4 1HE2 GLN 4 -0.459 -8.323 0.984 30 2HE2 GLN 4 2HE2 GLN 4 -1.912 -9.258 0.965 31 H HIS 5 H HIS 5 3.216 -10.701 -4.520 32 HA HIS 5 HA HIS 5 2.882 -10.302 -7.230 33 1HB HIS 5 1HB HIS 5 3.373 -12.811 -7.409 34 2HB HIS 5 2HB HIS 5 4.567 -11.817 -6.579 35 HD1 HIS 5 HD1 HIS 5 5.442 -13.821 -5.216 36 HD2 HIS 5 HD2 HIS 5 1.416 -12.995 -4.609 37 HE1 HIS 5 HE1 HIS 5 4.778 -15.160 -3.193 38 H GLN 6 H GLN 6 1.747 -11.820 -8.774 39 HA GLN 6 HA GLN 6 -0.800 -12.841 -7.801 40 1HB GLN 6 1HB GLN 6 -2.047 -11.606 -9.575 41 2HB GLN 6 2HB GLN 6 -1.392 -10.571 -8.314 42 1HG GLN 6 1HG GLN 6 0.543 -10.103 -9.836 43 2HG GLN 6 2HG GLN 6 -0.342 -10.952 -11.102 44 1HE2 GLN 6 1HE2 GLN 6 -2.732 -10.151 -11.210 45 2HE2 GLN 6 2HE2 GLN 6 -2.911 -8.434 -11.276 46 H CYS 7 H CYS 7 -2.078 -13.501 -10.027 47 HA CYS 7 HA CYS 7 -0.316 -15.481 -11.216 48 1HB CYS 7 1HB CYS 7 -3.251 -15.120 -11.800 49 2HB CYS 7 2HB CYS 7 -2.279 -16.577 -11.972 50 H VAL 8 H VAL 8 0.419 -15.470 -13.260 51 HA VAL 8 HA VAL 8 -0.487 -13.284 -15.019 52 HB VAL 8 HB VAL 8 1.827 -12.963 -14.275 53 1HG1 VAL 8 1HG1 VAL 8 3.317 -14.610 -14.131 54 2HG1 VAL 8 2HG1 VAL 8 2.005 -15.727 -14.512 55 3HG1 VAL 8 3HG1 VAL 8 3.035 -15.101 -15.800 56 1HG2 VAL 8 1HG2 VAL 8 0.893 -12.624 -16.750 57 2HG2 VAL 8 2HG2 VAL 8 2.555 -12.240 -16.303 58 3HG2 VAL 8 3HG2 VAL 8 2.188 -13.768 -17.103 59 H LYS 9 H LYS 9 -0.052 -16.657 -14.647 60 HA LYS 9 HA LYS 9 -1.103 -17.096 -17.332 61 1HB LYS 9 1HB LYS 9 1.490 -18.210 -16.296 62 2HB LYS 9 2HB LYS 9 0.565 -19.062 -17.525 63 1HG LYS 9 1HG LYS 9 1.290 -16.187 -17.903 64 2HG LYS 9 2HG LYS 9 2.461 -17.463 -18.243 65 1HD LYS 9 1HD LYS 9 1.524 -17.434 -20.292 66 2HD LYS 9 2HD LYS 9 0.280 -18.426 -19.527 67 1HE LYS 9 1HE LYS 9 -1.226 -16.698 -19.425 68 2HE LYS 9 2HE LYS 9 0.031 -15.463 -19.382 69 1HZ LYS 9 1HZ LYS 9 -1.430 -15.980 -21.532 70 2HZ LYS 9 2HZ LYS 9 -0.138 -17.032 -21.823 71 3HZ LYS 9 3HZ LYS 9 0.148 -15.377 -21.616 72 H LYS 10 H LYS 10 -2.610 -17.268 -15.119 73 HA LYS 10 HA LYS 10 -3.155 -20.132 -14.970 74 1HB LYS 10 1HB LYS 10 -1.776 -19.624 -12.992 75 2HB LYS 10 2HB LYS 10 -2.920 -18.375 -12.520 76 1HG LYS 10 1HG LYS 10 -3.359 -20.295 -11.195 77 2HG LYS 10 2HG LYS 10 -4.672 -20.147 -12.365 78 1HD LYS 10 1HD LYS 10 -3.102 -21.734 -13.785 79 2HD LYS 10 2HD LYS 10 -2.499 -22.171 -12.185 80 1HE LYS 10 1HE LYS 10 -5.125 -22.305 -11.703 81 2HE LYS 10 2HE LYS 10 -5.142 -22.666 -13.428 82 1HZ LYS 10 1HZ LYS 10 -4.118 -24.244 -11.213 83 2HZ LYS 10 2HZ LYS 10 -3.184 -24.263 -12.623 84 3HZ LYS 10 3HZ LYS 10 -4.804 -24.746 -12.676 85 H GLN 11 H GLN 11 -5.306 -20.635 -14.761 86 HA GLN 11 HA GLN 11 -7.156 -18.430 -15.178 87 1HB GLN 11 1HB GLN 11 -7.636 -21.414 -15.250 88 2HB GLN 11 2HB GLN 11 -8.786 -20.175 -15.736 89 1HG GLN 11 1HG GLN 11 -7.086 -19.445 -17.451 90 2HG GLN 11 2HG GLN 11 -6.201 -20.920 -17.066 91 1HE2 GLN 11 1HE2 GLN 11 -8.540 -19.559 -19.003 92 2HE2 GLN 11 2HE2 GLN 11 -9.255 -21.006 -19.618 93 H CYS 12 H CYS 12 -8.343 -17.580 -13.610 94 HA CYS 12 HA CYS 12 -9.191 -19.243 -11.363 95 1HB CYS 12 1HB CYS 12 -7.810 -16.577 -10.990 96 2HB CYS 12 2HB CYS 12 -8.484 -17.585 -9.713 97 HA PRO 13 HA PRO 13 -12.983 -17.070 -11.752 98 1HB PRO 13 1HB PRO 13 -13.872 -17.081 -9.186 99 2HB PRO 13 2HB PRO 13 -13.844 -18.529 -10.199 100 1HG PRO 13 1HG PRO 13 -11.900 -17.648 -8.101 101 2HG PRO 13 2HG PRO 13 -12.561 -19.265 -8.405 102 1HD PRO 13 1HD PRO 13 -10.093 -18.521 -9.234 103 2HD PRO 13 2HD PRO 13 -11.095 -19.677 -10.135 104 H GLN 14 H GLN 14 -14.262 -15.215 -10.784 105 HA GLN 14 HA GLN 14 -12.424 -13.004 -10.290 106 1HB GLN 14 1HB GLN 14 -14.262 -11.551 -10.873 107 2HB GLN 14 2HB GLN 14 -14.129 -12.819 -12.084 108 1HG GLN 14 1HG GLN 14 -16.002 -13.987 -11.157 109 2HG GLN 14 2HG GLN 14 -16.075 -12.874 -9.792 110 1HE2 GLN 14 1HE2 GLN 14 -16.988 -10.869 -10.054 111 2HE2 GLN 14 2HE2 GLN 14 -17.873 -10.415 -11.466 112 H ASN 15 H ASN 15 -14.089 -15.142 -8.451 113 HA ASN 15 HA ASN 15 -14.718 -13.180 -6.353 114 1HB ASN 15 1HB ASN 15 -15.638 -16.035 -6.736 115 2HB ASN 15 2HB ASN 15 -16.004 -15.068 -5.311 116 1HD2 ASN 15 1HD2 ASN 15 -17.594 -13.570 -5.395 117 2HD2 ASN 15 2HD2 ASN 15 -18.597 -13.303 -6.777 118 H SER 16 H SER 16 -12.131 -14.753 -7.241 119 HA SER 16 HA SER 16 -11.318 -15.375 -4.483 120 1HB SER 16 1HB SER 16 -10.416 -16.927 -6.918 121 2HB SER 16 2HB SER 16 -10.041 -17.282 -5.232 122 HG SER 16 HG SER 16 -12.702 -17.191 -6.172 123 H GLY 17 H GLY 17 -9.125 -14.980 -3.978 124 1HA GLY 17 1HA GLY 17 -7.875 -13.024 -5.789 125 2HA GLY 17 2HA GLY 17 -7.597 -13.129 -4.056 126 H CYS 18 H CYS 18 -7.262 -15.176 -6.959 127 HA CYS 18 HA CYS 18 -5.405 -16.970 -6.042 128 1HB CYS 18 1HB CYS 18 -4.968 -17.509 -8.263 129 2HB CYS 18 2HB CYS 18 -6.553 -16.749 -8.369 130 H PHE 19 H PHE 19 -3.060 -17.115 -6.577 131 HA PHE 19 HA PHE 19 -1.519 -14.776 -7.012 132 1HB PHE 19 1HB PHE 19 -0.601 -14.390 -4.840 133 2HB PHE 19 2HB PHE 19 -2.353 -14.386 -4.662 134 HD1 PHE 19 HD1 PHE 19 -3.335 -16.842 -4.167 135 HD2 PHE 19 HD2 PHE 19 0.590 -15.489 -3.229 136 HE1 PHE 19 HE1 PHE 19 -3.163 -18.565 -2.419 137 HE2 PHE 19 HE2 PHE 19 0.769 -17.210 -1.480 138 HZ PHE 19 HZ PHE 19 -1.109 -18.752 -1.074 139 H ARG 20 H ARG 20 0.515 -15.309 -7.603 140 HA ARG 20 HA ARG 20 1.179 -18.130 -7.673 141 1HB ARG 20 1HB ARG 20 1.478 -16.403 -9.584 142 2HB ARG 20 2HB ARG 20 2.931 -15.925 -8.716 143 1HG ARG 20 1HG ARG 20 4.063 -17.755 -9.345 144 2HG ARG 20 2HG ARG 20 2.660 -18.810 -9.167 145 1HD ARG 20 1HD ARG 20 2.356 -18.794 -11.365 146 2HD ARG 20 2HD ARG 20 2.173 -17.041 -11.336 147 HE ARG 20 HE ARG 20 4.859 -17.396 -11.276 148 1HH1 ARG 20 1HH1 ARG 20 2.321 -18.566 -13.353 149 2HH1 ARG 20 2HH1 ARG 20 3.334 -18.661 -14.755 150 1HH2 ARG 20 1HH2 ARG 20 6.203 -17.517 -13.115 151 2HH2 ARG 20 2HH2 ARG 20 5.542 -18.065 -14.618 152 H HIS 21 H HIS 21 2.135 -19.007 -5.962 153 HA HIS 21 HA HIS 21 3.421 -17.637 -3.904 154 1HB HIS 21 1HB HIS 21 3.227 -20.469 -4.764 155 2HB HIS 21 2HB HIS 21 4.554 -20.069 -3.676 156 HD1 HIS 21 HD1 HIS 21 3.701 -18.710 -1.423 157 HD2 HIS 21 HD2 HIS 21 0.912 -21.006 -3.475 158 HE1 HIS 21 HE1 HIS 21 1.827 -19.107 0.207 159 H LEU 22 H LEU 22 5.811 -18.427 -3.292 160 HA LEU 22 HA LEU 22 7.516 -17.091 -5.147 161 1HB LEU 22 1HB LEU 22 7.731 -18.239 -2.457 162 2HB LEU 22 2HB LEU 22 9.215 -18.322 -3.405 163 HG LEU 22 HG LEU 22 9.017 -16.331 -1.898 164 1HD1 LEU 22 1HD1 LEU 22 9.371 -14.747 -4.081 165 2HD1 LEU 22 2HD1 LEU 22 9.659 -16.351 -4.754 166 3HD1 LEU 22 3HD1 LEU 22 10.607 -15.790 -3.378 167 1HD2 LEU 22 1HD2 LEU 22 6.635 -15.908 -2.179 168 2HD2 LEU 22 2HD2 LEU 22 6.892 -15.522 -3.880 169 3HD2 LEU 22 3HD2 LEU 22 7.582 -14.489 -2.627 170 H ASP 23 H ASP 23 6.576 -20.361 -4.665 171 HA ASP 23 HA ASP 23 8.837 -21.384 -6.213 172 1HB ASP 23 1HB ASP 23 6.601 -23.089 -5.164 173 2HB ASP 23 2HB ASP 23 8.285 -23.519 -5.449 174 H GLU 24 H GLU 24 6.663 -19.695 -7.343 175 HA GLU 24 HA GLU 24 5.424 -19.560 -9.245 176 1HB GLU 24 1HB GLU 24 6.682 -22.163 -10.094 177 2HB GLU 24 2HB GLU 24 6.088 -20.863 -11.116 178 1HG GLU 24 1HG GLU 24 7.891 -19.415 -10.317 179 2HG GLU 24 2HG GLU 24 8.493 -20.732 -9.312 180 H ARG 25 H ARG 25 4.196 -20.746 -7.021 181 HA ARG 25 HA ARG 25 2.461 -22.765 -8.285 182 1HB ARG 25 1HB ARG 25 3.782 -23.536 -6.295 183 2HB ARG 25 2HB ARG 25 2.905 -22.361 -5.325 184 1HG ARG 25 1HG ARG 25 1.764 -24.340 -4.943 185 2HG ARG 25 2HG ARG 25 0.790 -23.543 -6.180 186 1HD ARG 25 1HD ARG 25 2.955 -25.433 -6.991 187 2HD ARG 25 2HD ARG 25 1.415 -26.069 -6.414 188 HE ARG 25 HE ARG 25 0.862 -24.150 -8.355 189 1HH1 ARG 25 1HH1 ARG 25 2.398 -27.265 -8.115 190 2HH1 ARG 25 2HH1 ARG 25 2.018 -27.723 -9.742 191 1HH2 ARG 25 1HH2 ARG 25 0.355 -24.742 -10.499 192 2HH2 ARG 25 2HH2 ARG 25 0.856 -26.287 -11.097 193 H GLU 26 H GLU 26 0.747 -21.677 -9.051 194 HA GLU 26 HA GLU 26 -0.349 -19.399 -7.662 195 1HB GLU 26 1HB GLU 26 -1.600 -20.824 -10.003 196 2HB GLU 26 2HB GLU 26 -1.800 -19.145 -9.519 197 1HG GLU 26 1HG GLU 26 -0.263 -18.640 -11.028 198 2HG GLU 26 2HG GLU 26 0.918 -19.390 -9.955 199 H GLU 27 H GLU 27 -2.024 -19.369 -6.295 200 HA GLU 27 HA GLU 27 -3.668 -21.799 -6.053 201 1HB GLU 27 1HB GLU 27 -1.851 -21.155 -4.193 202 2HB GLU 27 2HB GLU 27 -3.186 -20.163 -3.621 203 1HG GLU 27 1HG GLU 27 -4.597 -22.272 -3.727 204 2HG GLU 27 2HG GLU 27 -3.078 -23.145 -3.919 205 H CYS 28 H CYS 28 -5.477 -21.072 -7.062 206 HA CYS 28 HA CYS 28 -6.527 -18.443 -6.699 207 1HB CYS 28 1HB CYS 28 -8.048 -20.831 -7.741 208 2HB CYS 28 2HB CYS 28 -8.320 -19.130 -8.106 209 H LYS 29 H LYS 29 -6.530 -18.466 -4.329 210 HA LYS 29 HA LYS 29 -8.689 -20.025 -3.115 211 1HB LYS 29 1HB LYS 29 -6.637 -20.124 -1.890 212 2HB LYS 29 2HB LYS 29 -6.452 -18.375 -1.940 213 1HG LYS 29 1HG LYS 29 -7.921 -18.029 -0.243 214 2HG LYS 29 2HG LYS 29 -8.886 -19.453 -0.640 215 1HD LYS 29 1HD LYS 29 -7.894 -20.222 1.259 216 2HD LYS 29 2HD LYS 29 -6.648 -20.688 0.099 217 1HE LYS 29 1HE LYS 29 -6.488 -17.963 1.258 218 2HE LYS 29 2HE LYS 29 -6.107 -19.317 2.320 219 1HZ LYS 29 1HZ LYS 29 -4.584 -18.212 0.158 220 2HZ LYS 29 2HZ LYS 29 -4.751 -19.891 0.037 221 3HZ LYS 29 3HZ LYS 29 -4.083 -19.206 1.433 222 H CYS 30 H CYS 30 -10.371 -19.062 -1.939 223 HA CYS 30 HA CYS 30 -11.447 -16.712 -3.047 224 1HB CYS 30 1HB CYS 30 -12.233 -17.856 -0.370 225 2HB CYS 30 2HB CYS 30 -13.242 -16.974 -1.513 226 H LEU 31 H LEU 31 -11.724 -14.640 -2.195 227 HA LEU 31 HA LEU 31 -9.538 -13.493 -0.917 228 1HB LEU 31 1HB LEU 31 -12.372 -12.473 -1.041 229 2HB LEU 31 2HB LEU 31 -10.956 -11.509 -0.628 230 HG LEU 31 HG LEU 31 -10.835 -12.870 -3.237 231 1HD1 LEU 31 1HD1 LEU 31 -13.058 -12.322 -3.554 232 2HD1 LEU 31 2HD1 LEU 31 -12.227 -10.895 -4.173 233 3HD1 LEU 31 3HD1 LEU 31 -12.950 -10.866 -2.564 234 1HD2 LEU 31 1HD2 LEU 31 -10.107 -10.490 -3.834 235 2HD2 LEU 31 2HD2 LEU 31 -9.068 -11.417 -2.752 236 3HD2 LEU 31 3HD2 LEU 31 -10.143 -10.181 -2.098 237 H LEU 32 H LEU 32 -10.047 -11.986 1.136 238 HA LEU 32 HA LEU 32 -10.322 -13.824 3.320 239 1HB LEU 32 1HB LEU 32 -8.776 -11.769 3.115 240 2HB LEU 32 2HB LEU 32 -10.195 -10.842 3.598 241 HG LEU 32 HG LEU 32 -10.208 -12.556 5.605 242 1HD1 LEU 32 1HD1 LEU 32 -7.599 -12.948 4.332 243 2HD1 LEU 32 2HD1 LEU 32 -8.485 -13.980 5.455 244 3HD1 LEU 32 3HD1 LEU 32 -7.531 -12.628 6.065 245 1HD2 LEU 32 1HD2 LEU 32 -9.563 -9.935 5.297 246 2HD2 LEU 32 2HD2 LEU 32 -8.066 -10.583 5.968 247 3HD2 LEU 32 3HD2 LEU 32 -9.586 -10.788 6.841 248 H ASN 33 H ASN 33 -12.542 -12.200 1.482 249 HA ASN 33 HA ASN 33 -14.459 -11.983 3.706 250 1HB ASN 33 1HB ASN 33 -14.769 -10.742 0.972 251 2HB ASN 33 2HB ASN 33 -15.670 -10.367 2.438 252 1HD2 ASN 33 1HD2 ASN 33 -12.605 -10.054 0.799 253 2HD2 ASN 33 2HD2 ASN 33 -12.009 -8.741 1.752 254 H TYR 34 H TYR 34 -13.732 -14.459 2.369 255 HA TYR 34 HA TYR 34 -16.402 -15.203 1.406 256 1HB TYR 34 1HB TYR 34 -13.769 -15.834 0.078 257 2HB TYR 34 2HB TYR 34 -15.231 -16.761 -0.237 258 HD1 TYR 34 HD1 TYR 34 -14.029 -13.223 -0.212 259 HD2 TYR 34 HD2 TYR 34 -16.589 -16.117 -1.995 260 HE1 TYR 34 HE1 TYR 34 -14.699 -11.575 -1.911 261 HE2 TYR 34 HE2 TYR 34 -17.265 -14.477 -3.699 262 HH TYR 34 HH TYR 34 -15.878 -11.209 -3.757 263 H LYS 35 H LYS 35 -17.179 -16.693 2.727 264 HA LYS 35 HA LYS 35 -15.415 -18.292 4.372 265 1HB LYS 35 1HB LYS 35 -18.428 -18.418 4.212 266 2HB LYS 35 2HB LYS 35 -17.406 -19.015 5.512 267 1HG LYS 35 1HG LYS 35 -17.491 -16.110 4.768 268 2HG LYS 35 2HG LYS 35 -18.641 -16.827 5.899 269 1HD LYS 35 1HD LYS 35 -15.643 -16.967 6.203 270 2HD LYS 35 2HD LYS 35 -16.668 -15.766 6.992 271 1HE LYS 35 1HE LYS 35 -17.956 -17.708 7.977 272 2HE LYS 35 2HE LYS 35 -16.660 -18.750 7.389 273 1HZ LYS 35 1HZ LYS 35 -15.579 -16.556 8.808 274 2HZ LYS 35 2HZ LYS 35 -15.428 -18.209 9.131 275 3HZ LYS 35 3HZ LYS 35 -16.732 -17.340 9.768 276 H GLN 36 H GLN 36 -14.400 -19.605 2.800 277 HA GLN 36 HA GLN 36 -15.563 -21.122 0.828 278 1HB GLN 36 1HB GLN 36 -13.064 -20.865 1.598 279 2HB GLN 36 2HB GLN 36 -13.398 -22.339 2.497 280 1HG GLN 36 1HG GLN 36 -13.397 -23.616 0.659 281 2HG GLN 36 2HG GLN 36 -14.240 -22.406 -0.307 282 1HE2 GLN 36 1HE2 GLN 36 -12.899 -22.657 -2.069 283 2HE2 GLN 36 2HE2 GLN 36 -11.261 -22.110 -2.081 284 H GLU 37 H GLU 37 -17.398 -22.241 1.107 285 HA GLU 37 HA GLU 37 -18.098 -23.596 3.497 286 1HB GLU 37 1HB GLU 37 -19.856 -22.846 2.062 287 2HB GLU 37 2HB GLU 37 -19.197 -23.728 0.691 288 1HG GLU 37 1HG GLU 37 -21.174 -24.817 1.611 289 2HG GLU 37 2HG GLU 37 -19.742 -25.837 1.744 290 H GLY 38 H GLY 38 -17.271 -24.898 0.274 291 1HA GLY 38 1HA GLY 38 -15.794 -27.065 1.529 292 2HA GLY 38 2HA GLY 38 -17.236 -27.544 0.646 293 H ASP 39 H ASP 39 -17.289 -26.234 -1.603 294 HA ASP 39 HA ASP 39 -14.631 -26.300 -2.823 295 1HB ASP 39 1HB ASP 39 -16.996 -27.957 -3.693 296 2HB ASP 39 2HB ASP 39 -15.655 -27.585 -4.774 297 H LYS 40 H LYS 40 -16.382 -24.128 -2.138 298 HA LYS 40 HA LYS 40 -16.416 -22.785 -4.675 299 1HB LYS 40 1HB LYS 40 -18.875 -22.121 -4.383 300 2HB LYS 40 2HB LYS 40 -18.538 -23.730 -5.010 301 1HG LYS 40 1HG LYS 40 -19.142 -24.767 -3.012 302 2HG LYS 40 2HG LYS 40 -19.005 -23.270 -2.087 303 1HD LYS 40 1HD LYS 40 -21.005 -23.483 -4.301 304 2HD LYS 40 2HD LYS 40 -21.358 -24.190 -2.723 305 1HE LYS 40 1HE LYS 40 -21.280 -22.115 -1.649 306 2HE LYS 40 2HE LYS 40 -20.418 -21.354 -2.985 307 1HZ LYS 40 1HZ LYS 40 -22.827 -20.770 -2.787 308 2HZ LYS 40 2HZ LYS 40 -23.195 -22.363 -3.221 309 3HZ LYS 40 3HZ LYS 40 -22.362 -21.362 -4.302 310 H CYS 41 H CYS 41 -16.689 -20.513 -4.480 311 HA CYS 41 HA CYS 41 -16.049 -19.534 -1.808 312 1HB CYS 41 1HB CYS 41 -16.010 -18.111 -4.479 313 2HB CYS 41 2HB CYS 41 -15.437 -17.442 -2.954 314 H VAL 42 H VAL 42 -17.255 -18.053 -0.687 315 HA VAL 42 HA VAL 42 -19.744 -17.082 -1.888 316 HB VAL 42 HB VAL 42 -20.915 -17.619 0.310 317 1HG1 VAL 42 1HG1 VAL 42 -21.870 -19.328 -0.767 318 2HG1 VAL 42 2HG1 VAL 42 -20.692 -19.019 -2.044 319 3HG1 VAL 42 3HG1 VAL 42 -20.367 -20.248 -0.820 320 1HG2 VAL 42 1HG2 VAL 42 -19.044 -18.140 1.701 321 2HG2 VAL 42 2HG2 VAL 42 -19.985 -19.618 1.497 322 3HG2 VAL 42 3HG2 VAL 42 -18.491 -19.389 0.586 323 H GLU 43 H GLU 43 -19.598 -14.945 -1.727 324 HA GLU 43 HA GLU 43 -17.971 -13.600 0.158 325 1HB GLU 43 1HB GLU 43 -19.174 -11.547 -0.678 326 2HB GLU 43 2HB GLU 43 -18.385 -12.514 -1.916 327 1HG GLU 43 1HG GLU 43 -20.288 -12.666 -3.020 328 2HG GLU 43 2HG GLU 43 -21.034 -13.470 -1.640 329 H ASN 44 H ASN 44 -18.603 -14.308 2.216 330 HA ASN 44 HA ASN 44 -19.793 -14.333 4.160 331 1HB ASN 44 1HB ASN 44 -19.338 -11.916 3.965 332 2HB ASN 44 2HB ASN 44 -20.840 -11.712 3.068 333 1HD2 ASN 44 1HD2 ASN 44 -20.007 -13.545 5.986 334 2HD2 ASN 44 2HD2 ASN 44 -21.203 -12.812 6.994 335 HA PRO 45 HA PRO 45 -23.595 -15.969 2.086 336 1HB PRO 45 1HB PRO 45 -23.473 -18.402 3.285 337 2HB PRO 45 2HB PRO 45 -22.610 -18.024 1.790 338 1HG PRO 45 1HG PRO 45 -21.588 -18.085 4.603 339 2HG PRO 45 2HG PRO 45 -20.831 -18.704 3.123 340 1HD PRO 45 1HD PRO 45 -20.128 -16.340 4.239 341 2HD PRO 45 2HD PRO 45 -20.076 -16.621 2.487 342 H ASN 46 H ASN 46 -22.493 -16.250 5.444 343 HA ASN 46 HA ASN 46 -25.059 -15.284 6.378 344 1HB ASN 46 1HB ASN 46 -24.172 -18.097 6.708 345 2HB ASN 46 2HB ASN 46 -24.873 -17.322 8.126 346 1HD2 ASN 46 1HD2 ASN 46 -25.604 -19.253 5.665 347 2HD2 ASN 46 2HD2 ASN 46 -27.265 -18.849 5.419 348 HA PRO 47 HA PRO 47 -22.661 -13.434 9.551 349 1HB PRO 47 1HB PRO 47 -24.339 -13.521 11.683 350 2HB PRO 47 2HB PRO 47 -24.592 -12.444 10.305 351 1HG PRO 47 1HG PRO 47 -25.868 -15.085 10.904 352 2HG PRO 47 2HG PRO 47 -26.612 -13.594 10.296 353 1HD PRO 47 1HD PRO 47 -25.981 -15.672 8.679 354 2HD PRO 47 2HD PRO 47 -25.924 -13.985 8.131 355 H THR 48 H THR 48 -24.270 -16.429 10.591 356 HA THR 48 HA THR 48 -21.771 -17.274 11.858 357 HB THR 48 HB THR 48 -23.124 -16.290 13.666 358 HG1 THR 48 HG1 THR 48 -23.321 -18.470 14.846 359 1HG2 THR 48 1HG2 THR 48 -25.275 -16.953 14.203 360 2HG2 THR 48 2HG2 THR 48 -25.121 -18.496 13.360 361 3HG2 THR 48 3HG2 THR 48 -25.318 -17.004 12.441 362 1HN NH2 49 1HN THR 49 -22.426 -20.604 11.023 363 2HN NH2 49 2HN THR 49 -21.371 -19.459 11.781 Start of MODEL 15 1 1H ASN 1 1HT ASN 1 -0.479 -0.341 0.504 2 HA ASN 1 HA ASN 1 1.459 0.874 -0.755 3 1HB ASN 1 1HB ASN 1 1.786 -0.481 1.925 4 2HB ASN 1 2HB ASN 1 2.944 0.680 1.283 5 1HD2 ASN 1 1HD2 ASN 1 2.647 2.719 1.810 6 2HD2 ASN 1 2HD2 ASN 1 1.172 3.418 2.375 7 H ILE 2 H ILE 2 1.463 -2.548 -0.207 8 HA ILE 2 HA ILE 2 4.102 -2.757 -1.499 9 HB ILE 2 HB ILE 2 4.021 -3.758 0.744 10 1HG1 ILE 2 1HG1 ILE 2 4.202 -5.822 -1.462 11 2HG1 ILE 2 2HG1 ILE 2 5.489 -4.713 -1.000 12 1HG2 ILE 2 1HG2 ILE 2 2.399 -5.120 1.474 13 2HG2 ILE 2 2HG2 ILE 2 1.477 -4.496 0.108 14 3HG2 ILE 2 3HG2 ILE 2 2.344 -6.024 -0.038 15 1HD1 ILE 2 1HD1 ILE 2 6.196 -6.172 0.496 16 2HD1 ILE 2 2HD1 ILE 2 4.645 -6.080 1.330 17 3HD1 ILE 2 3HD1 ILE 2 4.890 -7.270 0.051 18 H SER 3 H SER 3 4.274 -3.761 -3.411 19 HA SER 3 HA SER 3 1.846 -4.597 -4.744 20 1HB SER 3 1HB SER 3 3.221 -3.346 -6.165 21 2HB SER 3 2HB SER 3 4.689 -4.153 -5.613 22 HG SER 3 HG SER 3 3.867 -4.785 -7.744 23 H GLN 4 H GLN 4 1.105 -6.585 -4.423 24 HA GLN 4 HA GLN 4 2.982 -8.766 -3.903 25 1HB GLN 4 1HB GLN 4 0.946 -8.337 -2.443 26 2HB GLN 4 2HB GLN 4 -0.029 -8.895 -3.796 27 1HG GLN 4 1HG GLN 4 0.195 -10.767 -2.440 28 2HG GLN 4 2HG GLN 4 1.387 -11.014 -3.715 29 1HE2 GLN 4 1HE2 GLN 4 3.382 -11.488 -3.122 30 2HE2 GLN 4 2HE2 GLN 4 4.046 -11.271 -1.542 31 H HIS 5 H HIS 5 3.330 -10.415 -5.280 32 HA HIS 5 HA HIS 5 2.849 -10.194 -7.989 33 1HB HIS 5 1HB HIS 5 3.301 -12.712 -8.028 34 2HB HIS 5 2HB HIS 5 4.548 -11.690 -7.318 35 HD1 HIS 5 HD1 HIS 5 5.529 -13.338 -5.689 36 HD2 HIS 5 HD2 HIS 5 1.406 -12.978 -5.323 37 HE1 HIS 5 HE1 HIS 5 4.925 -14.613 -3.607 38 H GLN 6 H GLN 6 1.601 -11.777 -9.362 39 HA GLN 6 HA GLN 6 -0.862 -12.770 -8.200 40 1HB GLN 6 1HB GLN 6 -0.867 -10.610 -10.314 41 2HB GLN 6 2HB GLN 6 -2.282 -11.525 -9.812 42 1HG GLN 6 1HG GLN 6 -1.808 -10.658 -7.467 43 2HG GLN 6 2HG GLN 6 -0.701 -9.524 -8.238 44 1HE2 GLN 6 1HE2 GLN 6 -1.509 -7.855 -9.465 45 2HE2 GLN 6 2HE2 GLN 6 -3.183 -7.427 -9.479 46 H CYS 7 H CYS 7 -2.324 -13.406 -10.324 47 HA CYS 7 HA CYS 7 -0.647 -15.347 -11.694 48 1HB CYS 7 1HB CYS 7 -3.632 -15.038 -11.980 49 2HB CYS 7 2HB CYS 7 -2.654 -16.471 -12.277 50 H VAL 8 H VAL 8 0.062 -15.121 -13.709 51 HA VAL 8 HA VAL 8 -1.265 -13.148 -15.452 52 HB VAL 8 HB VAL 8 0.978 -12.776 -16.507 53 1HG1 VAL 8 1HG1 VAL 8 1.016 -12.062 -13.588 54 2HG1 VAL 8 2HG1 VAL 8 1.638 -11.135 -14.955 55 3HG1 VAL 8 3HG1 VAL 8 -0.102 -11.313 -14.728 56 1HG2 VAL 8 1HG2 VAL 8 1.971 -14.895 -15.613 57 2HG2 VAL 8 2HG2 VAL 8 2.975 -13.462 -15.396 58 3HG2 VAL 8 3HG2 VAL 8 2.063 -14.113 -14.035 59 H LYS 9 H LYS 9 -0.547 -16.351 -15.002 60 HA LYS 9 HA LYS 9 -1.090 -16.939 -17.809 61 1HB LYS 9 1HB LYS 9 1.285 -17.978 -16.268 62 2HB LYS 9 2HB LYS 9 0.668 -18.776 -17.708 63 1HG LYS 9 1HG LYS 9 1.363 -15.875 -17.804 64 2HG LYS 9 2HG LYS 9 2.635 -17.095 -17.896 65 1HD LYS 9 1HD LYS 9 2.193 -16.959 -20.112 66 2HD LYS 9 2HD LYS 9 0.916 -18.104 -19.694 67 1HE LYS 9 1HE LYS 9 -0.736 -16.455 -19.733 68 2HE LYS 9 2HE LYS 9 0.437 -15.146 -19.596 69 1HZ LYS 9 1HZ LYS 9 1.207 -15.682 -21.840 70 2HZ LYS 9 2HZ LYS 9 -0.431 -15.262 -21.827 71 3HZ LYS 9 3HZ LYS 9 0.025 -16.885 -21.968 72 H LYS 10 H LYS 10 -2.563 -17.093 -15.255 73 HA LYS 10 HA LYS 10 -3.337 -19.912 -15.462 74 1HB LYS 10 1HB LYS 10 -1.947 -19.866 -13.503 75 2HB LYS 10 2HB LYS 10 -2.757 -18.428 -12.896 76 1HG LYS 10 1HG LYS 10 -3.514 -20.333 -11.659 77 2HG LYS 10 2HG LYS 10 -4.838 -19.746 -12.668 78 1HD LYS 10 1HD LYS 10 -4.990 -21.983 -13.106 79 2HD LYS 10 2HD LYS 10 -3.846 -21.517 -14.367 80 1HE LYS 10 1HE LYS 10 -3.051 -23.507 -13.263 81 2HE LYS 10 2HE LYS 10 -1.989 -22.157 -12.867 82 1HZ LYS 10 1HZ LYS 10 -3.994 -22.246 -10.935 83 2HZ LYS 10 2HZ LYS 10 -2.347 -22.575 -10.738 84 3HZ LYS 10 3HZ LYS 10 -3.420 -23.826 -11.119 85 H GLN 11 H GLN 11 -5.516 -20.340 -14.995 86 HA GLN 11 HA GLN 11 -7.235 -17.979 -15.179 87 1HB GLN 11 1HB GLN 11 -9.013 -19.709 -15.710 88 2HB GLN 11 2HB GLN 11 -7.716 -19.544 -16.886 89 1HG GLN 11 1HG GLN 11 -6.754 -21.570 -16.305 90 2HG GLN 11 2HG GLN 11 -7.557 -21.612 -14.736 91 1HE2 GLN 11 1HE2 GLN 11 -8.709 -21.164 -18.062 92 2HE2 GLN 11 2HE2 GLN 11 -9.872 -22.440 -18.012 93 H CYS 12 H CYS 12 -8.494 -17.322 -13.557 94 HA CYS 12 HA CYS 12 -9.242 -19.178 -11.436 95 1HB CYS 12 1HB CYS 12 -7.820 -16.566 -10.878 96 2HB CYS 12 2HB CYS 12 -8.495 -17.648 -9.665 97 HA PRO 13 HA PRO 13 -13.042 -16.985 -11.488 98 1HB PRO 13 1HB PRO 13 -13.836 -17.220 -8.903 99 2HB PRO 13 2HB PRO 13 -13.847 -18.575 -10.038 100 1HG PRO 13 1HG PRO 13 -11.827 -17.875 -7.943 101 2HG PRO 13 2HG PRO 13 -12.501 -19.461 -8.361 102 1HD PRO 13 1HD PRO 13 -10.064 -18.643 -9.212 103 2HD PRO 13 2HD PRO 13 -11.100 -19.718 -10.173 104 H GLN 14 H GLN 14 -14.283 -15.224 -10.315 105 HA GLN 14 HA GLN 14 -12.431 -13.053 -9.718 106 1HB GLN 14 1HB GLN 14 -15.361 -13.154 -10.399 107 2HB GLN 14 2HB GLN 14 -14.598 -11.683 -9.810 108 1HG GLN 14 1HG GLN 14 -13.868 -13.200 -12.304 109 2HG GLN 14 2HG GLN 14 -14.729 -11.664 -12.221 110 1HE2 GLN 14 1HE2 GLN 14 -11.668 -13.255 -11.955 111 2HE2 GLN 14 2HE2 GLN 14 -10.693 -11.829 -11.918 112 H ASN 15 H ASN 15 -14.069 -15.345 -8.001 113 HA ASN 15 HA ASN 15 -14.609 -13.588 -5.716 114 1HB ASN 15 1HB ASN 15 -15.383 -16.466 -6.238 115 2HB ASN 15 2HB ASN 15 -15.756 -15.589 -4.757 116 1HD2 ASN 15 1HD2 ASN 15 -17.492 -14.295 -4.697 117 2HD2 ASN 15 2HD2 ASN 15 -18.533 -13.984 -6.040 118 H SER 16 H SER 16 -12.090 -15.269 -6.912 119 HA SER 16 HA SER 16 -11.047 -15.885 -4.225 120 1HB SER 16 1HB SER 16 -10.239 -17.329 -6.754 121 2HB SER 16 2HB SER 16 -9.847 -17.766 -5.091 122 HG SER 16 HG SER 16 -12.535 -17.588 -5.889 123 H GLY 17 H GLY 17 -9.015 -15.176 -3.731 124 1HA GLY 17 1HA GLY 17 -7.859 -13.249 -5.602 125 2HA GLY 17 2HA GLY 17 -7.473 -13.397 -3.893 126 H CYS 18 H CYS 18 -7.248 -15.323 -6.886 127 HA CYS 18 HA CYS 18 -5.290 -17.094 -6.137 128 1HB CYS 18 1HB CYS 18 -4.972 -17.549 -8.397 129 2HB CYS 18 2HB CYS 18 -6.584 -16.842 -8.382 130 H PHE 19 H PHE 19 -2.978 -17.143 -6.865 131 HA PHE 19 HA PHE 19 -1.527 -14.769 -7.324 132 1HB PHE 19 1HB PHE 19 -0.542 -14.319 -5.212 133 2HB PHE 19 2HB PHE 19 -2.273 -14.443 -4.915 134 HD1 PHE 19 HD1 PHE 19 -3.003 -17.020 -4.438 135 HD2 PHE 19 HD2 PHE 19 0.797 -15.280 -3.632 136 HE1 PHE 19 HE1 PHE 19 -2.587 -18.732 -2.721 137 HE2 PHE 19 HE2 PHE 19 1.219 -16.990 -1.915 138 HZ PHE 19 HZ PHE 19 -0.473 -18.720 -1.457 139 H ARG 20 H ARG 20 0.559 -15.207 -7.898 140 HA ARG 20 HA ARG 20 1.262 -18.010 -8.118 141 1HB ARG 20 1HB ARG 20 1.556 -16.076 -9.886 142 2HB ARG 20 2HB ARG 20 3.065 -15.805 -9.025 143 1HG ARG 20 1HG ARG 20 4.037 -17.574 -9.962 144 2HG ARG 20 2HG ARG 20 2.633 -18.604 -9.675 145 1HD ARG 20 1HD ARG 20 2.278 -18.542 -11.873 146 2HD ARG 20 2HD ARG 20 1.798 -16.859 -11.658 147 HE ARG 20 HE ARG 20 4.608 -17.059 -11.916 148 1HH1 ARG 20 1HH1 ARG 20 1.667 -17.255 -13.768 149 2HH1 ARG 20 2HH1 ARG 20 2.413 -16.758 -15.250 150 1HH2 ARG 20 1HH2 ARG 20 5.602 -16.404 -13.861 151 2HH2 ARG 20 2HH2 ARG 20 4.652 -16.275 -15.302 152 H HIS 21 H HIS 21 2.250 -18.974 -6.474 153 HA HIS 21 HA HIS 21 3.491 -17.720 -4.323 154 1HB HIS 21 1HB HIS 21 3.367 -20.480 -5.382 155 2HB HIS 21 2HB HIS 21 4.719 -20.133 -4.308 156 HD1 HIS 21 HD1 HIS 21 3.879 -18.921 -1.946 157 HD2 HIS 21 HD2 HIS 21 1.135 -21.219 -4.056 158 HE1 HIS 21 HE1 HIS 21 2.074 -19.499 -0.293 159 H LEU 22 H LEU 22 5.900 -18.417 -3.748 160 HA LEU 22 HA LEU 22 7.559 -16.901 -5.494 161 1HB LEU 22 1HB LEU 22 8.045 -18.516 -3.018 162 2HB LEU 22 2HB LEU 22 9.388 -17.834 -3.933 163 HG LEU 22 HG LEU 22 8.877 -16.395 -2.078 164 1HD1 LEU 22 1HD1 LEU 22 7.729 -15.035 -4.495 165 2HD1 LEU 22 2HD1 LEU 22 9.439 -15.447 -4.370 166 3HD1 LEU 22 3HD1 LEU 22 8.711 -14.344 -3.203 167 1HD2 LEU 22 1HD2 LEU 22 6.537 -17.121 -1.770 168 2HD2 LEU 22 2HD2 LEU 22 6.083 -16.185 -3.195 169 3HD2 LEU 22 3HD2 LEU 22 6.715 -15.366 -1.765 170 H ASP 23 H ASP 23 6.742 -20.230 -5.270 171 HA ASP 23 HA ASP 23 9.038 -21.032 -6.900 172 1HB ASP 23 1HB ASP 23 8.246 -22.350 -4.846 173 2HB ASP 23 2HB ASP 23 6.889 -22.862 -5.846 174 H GLU 24 H GLU 24 6.794 -19.380 -7.901 175 HA GLU 24 HA GLU 24 5.508 -19.182 -9.767 176 1HB GLU 24 1HB GLU 24 6.865 -21.662 -10.806 177 2HB GLU 24 2HB GLU 24 6.205 -20.319 -11.728 178 1HG GLU 24 1HG GLU 24 7.960 -18.859 -10.840 179 2HG GLU 24 2HG GLU 24 8.631 -20.223 -9.949 180 H ARG 25 H ARG 25 4.340 -20.527 -7.627 181 HA ARG 25 HA ARG 25 2.687 -22.548 -8.996 182 1HB ARG 25 1HB ARG 25 3.875 -23.631 -7.229 183 2HB ARG 25 2HB ARG 25 3.500 -22.337 -6.099 184 1HG ARG 25 1HG ARG 25 1.350 -23.064 -5.765 185 2HG ARG 25 2HG ARG 25 1.268 -23.876 -7.329 186 1HD ARG 25 1HD ARG 25 2.556 -25.692 -6.571 187 2HD ARG 25 2HD ARG 25 3.097 -24.815 -5.141 188 HE ARG 25 HE ARG 25 0.364 -24.984 -4.911 189 1HH1 ARG 25 1HH1 ARG 25 3.010 -27.228 -5.200 190 2HH1 ARG 25 2HH1 ARG 25 2.221 -28.476 -4.294 191 1HH2 ARG 25 1HH2 ARG 25 -0.685 -26.620 -3.717 192 2HH2 ARG 25 2HH2 ARG 25 0.119 -28.130 -3.452 193 H GLU 26 H GLU 26 0.922 -21.470 -9.660 194 HA GLU 26 HA GLU 26 -0.232 -19.319 -8.154 195 1HB GLU 26 1HB GLU 26 -1.548 -20.773 -10.441 196 2HB GLU 26 2HB GLU 26 -1.793 -19.110 -9.925 197 1HG GLU 26 1HG GLU 26 -0.357 -18.508 -11.494 198 2HG GLU 26 2HG GLU 26 0.911 -19.252 -10.521 199 H GLU 27 H GLU 27 -1.848 -19.376 -6.714 200 HA GLU 27 HA GLU 27 -3.371 -21.878 -6.424 201 1HB GLU 27 1HB GLU 27 -1.469 -21.318 -4.675 202 2HB GLU 27 2HB GLU 27 -2.703 -20.262 -4.004 203 1HG GLU 27 1HG GLU 27 -4.125 -22.043 -3.502 204 2HG GLU 27 2HG GLU 27 -3.260 -23.149 -4.567 205 H CYS 28 H CYS 28 -5.264 -21.182 -7.292 206 HA CYS 28 HA CYS 28 -6.371 -18.602 -6.778 207 1HB CYS 28 1HB CYS 28 -7.877 -21.010 -7.795 208 2HB CYS 28 2HB CYS 28 -8.232 -19.310 -8.085 209 H LYS 29 H LYS 29 -6.222 -18.688 -4.417 210 HA LYS 29 HA LYS 29 -8.229 -20.365 -3.107 211 1HB LYS 29 1HB LYS 29 -5.726 -19.819 -2.329 212 2HB LYS 29 2HB LYS 29 -6.546 -18.472 -1.550 213 1HG LYS 29 1HG LYS 29 -6.788 -19.925 0.138 214 2HG LYS 29 2HG LYS 29 -8.154 -20.511 -0.815 215 1HD LYS 29 1HD LYS 29 -7.172 -22.486 -1.126 216 2HD LYS 29 2HD LYS 29 -5.689 -21.720 -1.701 217 1HE LYS 29 1HE LYS 29 -5.347 -23.139 0.299 218 2HE LYS 29 2HE LYS 29 -4.896 -21.454 0.556 219 1HZ LYS 29 1HZ LYS 29 -6.365 -21.283 2.190 220 2HZ LYS 29 2HZ LYS 29 -6.609 -22.953 2.095 221 3HZ LYS 29 3HZ LYS 29 -7.618 -21.902 1.237 222 H CYS 30 H CYS 30 -9.828 -19.482 -1.726 223 HA CYS 30 HA CYS 30 -11.103 -17.174 -2.736 224 1HB CYS 30 1HB CYS 30 -11.660 -18.392 -0.036 225 2HB CYS 30 2HB CYS 30 -12.782 -17.561 -1.109 226 H LEU 31 H LEU 31 -11.360 -15.122 -1.875 227 HA LEU 31 HA LEU 31 -9.158 -13.924 -0.680 228 1HB LEU 31 1HB LEU 31 -12.013 -12.960 -0.592 229 2HB LEU 31 2HB LEU 31 -10.571 -11.975 -0.354 230 HG LEU 31 HG LEU 31 -10.855 -13.421 -2.936 231 1HD1 LEU 31 1HD1 LEU 31 -12.946 -12.588 -3.160 232 2HD1 LEU 31 2HD1 LEU 31 -12.059 -11.126 -3.591 233 3HD1 LEU 31 3HD1 LEU 31 -12.693 -11.323 -1.957 234 1HD2 LEU 31 1HD2 LEU 31 -8.958 -11.824 -2.031 235 2HD2 LEU 31 2HD2 LEU 31 -10.057 -10.574 -2.615 236 3HD2 LEU 31 3HD2 LEU 31 -9.449 -11.804 -3.725 237 H LEU 32 H LEU 32 -9.564 -12.476 1.414 238 HA LEU 32 HA LEU 32 -9.695 -14.337 3.584 239 1HB LEU 32 1HB LEU 32 -8.212 -12.255 3.348 240 2HB LEU 32 2HB LEU 32 -9.633 -11.350 3.865 241 HG LEU 32 HG LEU 32 -9.508 -13.147 5.854 242 1HD1 LEU 32 1HD1 LEU 32 -6.666 -12.646 5.878 243 2HD1 LEU 32 2HD1 LEU 32 -7.134 -13.631 4.492 244 3HD1 LEU 32 3HD1 LEU 32 -7.548 -14.153 6.125 245 1HD2 LEU 32 1HD2 LEU 32 -8.905 -11.385 7.176 246 2HD2 LEU 32 2HD2 LEU 32 -9.355 -10.517 5.708 247 3HD2 LEU 32 3HD2 LEU 32 -7.655 -10.830 6.063 248 H ASN 33 H ASN 33 -12.046 -12.726 1.885 249 HA ASN 33 HA ASN 33 -13.852 -12.573 4.202 250 1HB ASN 33 1HB ASN 33 -14.389 -11.412 1.471 251 2HB ASN 33 2HB ASN 33 -15.173 -11.012 2.997 252 1HD2 ASN 33 1HD2 ASN 33 -12.250 -10.698 1.110 253 2HD2 ASN 33 2HD2 ASN 33 -11.615 -9.337 1.965 254 H TYR 34 H TYR 34 -13.075 -15.027 2.772 255 HA TYR 34 HA TYR 34 -15.779 -15.903 2.030 256 1HB TYR 34 1HB TYR 34 -13.221 -16.451 0.526 257 2HB TYR 34 2HB TYR 34 -14.683 -17.406 0.303 258 HD1 TYR 34 HD1 TYR 34 -16.138 -16.794 -1.383 259 HD2 TYR 34 HD2 TYR 34 -13.574 -13.836 0.285 260 HE1 TYR 34 HE1 TYR 34 -16.957 -15.163 -3.032 261 HE2 TYR 34 HE2 TYR 34 -14.386 -12.197 -1.359 262 HH TYR 34 HH TYR 34 -15.429 -12.202 -3.602 263 H LYS 35 H LYS 35 -16.409 -17.494 3.311 264 HA LYS 35 HA LYS 35 -14.366 -19.167 4.606 265 1HB LYS 35 1HB LYS 35 -16.305 -19.748 6.168 266 2HB LYS 35 2HB LYS 35 -15.647 -18.120 6.279 267 1HG LYS 35 1HG LYS 35 -17.491 -17.279 4.915 268 2HG LYS 35 2HG LYS 35 -18.152 -18.912 4.804 269 1HD LYS 35 1HD LYS 35 -17.646 -17.588 7.453 270 2HD LYS 35 2HD LYS 35 -19.149 -17.335 6.562 271 1HE LYS 35 1HE LYS 35 -19.737 -19.609 6.706 272 2HE LYS 35 2HE LYS 35 -18.108 -20.084 7.187 273 1HZ LYS 35 1HZ LYS 35 -19.397 -18.203 8.964 274 2HZ LYS 35 2HZ LYS 35 -18.511 -19.598 9.321 275 3HZ LYS 35 3HZ LYS 35 -20.142 -19.720 8.891 276 H GLN 36 H GLN 36 -14.036 -20.925 3.377 277 HA GLN 36 HA GLN 36 -15.735 -22.127 1.586 278 1HB GLN 36 1HB GLN 36 -13.208 -22.625 2.444 279 2HB GLN 36 2HB GLN 36 -14.060 -24.003 3.131 280 1HG GLN 36 1HG GLN 36 -13.120 -24.515 0.942 281 2HG GLN 36 2HG GLN 36 -14.879 -24.625 0.940 282 1HE2 GLN 36 1HE2 GLN 36 -14.207 -24.495 -1.441 283 2HE2 GLN 36 2HE2 GLN 36 -14.223 -22.914 -2.138 284 H GLU 37 H GLU 37 -17.748 -22.795 1.921 285 HA GLU 37 HA GLU 37 -18.478 -23.971 4.495 286 1HB GLU 37 1HB GLU 37 -20.044 -22.856 2.188 287 2HB GLU 37 2HB GLU 37 -20.823 -23.885 3.382 288 1HG GLU 37 1HG GLU 37 -19.319 -21.372 4.060 289 2HG GLU 37 2HG GLU 37 -21.060 -21.443 3.794 290 H GLY 38 H GLY 38 -18.494 -24.737 1.037 291 1HA GLY 38 1HA GLY 38 -18.765 -27.583 1.778 292 2HA GLY 38 2HA GLY 38 -19.661 -26.903 0.428 293 H ASP 39 H ASP 39 -18.640 -26.541 -1.515 294 HA ASP 39 HA ASP 39 -15.793 -27.244 -1.683 295 1HB ASP 39 1HB ASP 39 -16.188 -28.628 -3.642 296 2HB ASP 39 2HB ASP 39 -17.143 -29.231 -2.290 297 H LYS 40 H LYS 40 -16.916 -24.662 -1.677 298 HA LYS 40 HA LYS 40 -15.757 -23.599 -4.041 299 1HB LYS 40 1HB LYS 40 -17.868 -22.455 -4.845 300 2HB LYS 40 2HB LYS 40 -17.765 -24.182 -5.163 301 1HG LYS 40 1HG LYS 40 -19.418 -24.699 -3.666 302 2HG LYS 40 2HG LYS 40 -19.127 -23.262 -2.682 303 1HD LYS 40 1HD LYS 40 -20.265 -23.149 -5.469 304 2HD LYS 40 2HD LYS 40 -21.268 -23.265 -4.021 305 1HE LYS 40 1HE LYS 40 -19.891 -21.208 -3.228 306 2HE LYS 40 2HE LYS 40 -19.512 -21.024 -4.939 307 1HZ LYS 40 1HZ LYS 40 -21.882 -20.333 -3.559 308 2HZ LYS 40 2HZ LYS 40 -22.240 -21.436 -4.790 309 3HZ LYS 40 3HZ LYS 40 -21.443 -19.990 -5.157 310 H CYS 41 H CYS 41 -15.720 -21.259 -4.048 311 HA CYS 41 HA CYS 41 -15.470 -20.185 -1.426 312 1HB CYS 41 1HB CYS 41 -15.452 -18.739 -4.084 313 2HB CYS 41 2HB CYS 41 -14.864 -18.100 -2.552 314 H VAL 42 H VAL 42 -16.778 -18.844 -0.286 315 HA VAL 42 HA VAL 42 -19.268 -17.923 -1.540 316 HB VAL 42 HB VAL 42 -20.406 -18.467 0.697 317 1HG1 VAL 42 1HG1 VAL 42 -19.578 -20.643 -1.217 318 2HG1 VAL 42 2HG1 VAL 42 -20.871 -20.801 -0.027 319 3HG1 VAL 42 3HG1 VAL 42 -21.005 -19.614 -1.325 320 1HG2 VAL 42 1HG2 VAL 42 -19.454 -20.425 1.873 321 2HG2 VAL 42 2HG2 VAL 42 -18.002 -20.280 0.882 322 3HG2 VAL 42 3HG2 VAL 42 -18.440 -18.987 1.998 323 H GLU 43 H GLU 43 -19.265 -15.785 -1.376 324 HA GLU 43 HA GLU 43 -17.672 -14.341 0.466 325 1HB GLU 43 1HB GLU 43 -19.006 -12.362 -0.355 326 2HB GLU 43 2HB GLU 43 -18.187 -13.291 -1.603 327 1HG GLU 43 1HG GLU 43 -20.092 -13.699 -2.648 328 2HG GLU 43 2HG GLU 43 -20.839 -14.309 -1.172 329 H ASN 44 H ASN 44 -18.251 -15.137 2.527 330 HA ASN 44 HA ASN 44 -19.432 -15.262 4.476 331 1HB ASN 44 1HB ASN 44 -18.954 -12.898 4.524 332 2HB ASN 44 2HB ASN 44 -20.309 -12.556 3.452 333 1HD2 ASN 44 1HD2 ASN 44 -19.840 -14.419 6.440 334 2HD2 ASN 44 2HD2 ASN 44 -21.167 -13.709 7.289 335 HA PRO 45 HA PRO 45 -23.289 -16.750 2.392 336 1HB PRO 45 1HB PRO 45 -23.193 -19.229 3.494 337 2HB PRO 45 2HB PRO 45 -22.343 -18.807 2.003 338 1HG PRO 45 1HG PRO 45 -21.287 -18.996 4.798 339 2HG PRO 45 2HG PRO 45 -20.559 -19.569 3.286 340 1HD PRO 45 1HD PRO 45 -19.802 -17.262 4.484 341 2HD PRO 45 2HD PRO 45 -19.776 -17.476 2.722 342 H ASN 46 H ASN 46 -22.157 -16.418 5.619 343 HA ASN 46 HA ASN 46 -24.912 -16.669 6.635 344 1HB ASN 46 1HB ASN 46 -22.267 -17.227 7.970 345 2HB ASN 46 2HB ASN 46 -23.747 -16.989 8.894 346 1HD2 ASN 46 1HD2 ASN 46 -21.792 -19.280 7.786 347 2HD2 ASN 46 2HD2 ASN 46 -22.912 -20.573 7.543 348 HA PRO 47 HA PRO 47 -23.590 -12.214 6.954 349 1HB PRO 47 1HB PRO 47 -25.885 -11.205 5.914 350 2HB PRO 47 2HB PRO 47 -24.511 -11.694 4.915 351 1HG PRO 47 1HG PRO 47 -27.034 -13.185 5.527 352 2HG PRO 47 2HG PRO 47 -26.182 -13.015 3.981 353 1HD PRO 47 1HD PRO 47 -25.970 -15.229 5.526 354 2HD PRO 47 2HD PRO 47 -24.638 -14.643 4.510 355 H THR 48 H THR 48 -26.357 -14.082 7.921 356 HA THR 48 HA THR 48 -26.927 -12.129 10.054 357 HB THR 48 HB THR 48 -28.865 -12.376 8.645 358 HG1 THR 48 HG1 THR 48 -30.322 -13.310 10.254 359 1HG2 THR 48 1HG2 THR 48 -28.227 -14.597 7.702 360 2HG2 THR 48 2HG2 THR 48 -29.921 -14.488 8.182 361 3HG2 THR 48 3HG2 THR 48 -28.766 -15.340 9.207 362 1HN NH2 49 1HN THR 49 -26.299 -16.114 10.892 363 2HN NH2 49 2HN THR 49 -26.547 -15.570 9.267 Start of MODEL 16 1 1H ASN 1 1HT ASN 1 -2.505 -2.523 -5.657 2 HA ASN 1 HA ASN 1 -2.042 -5.144 -4.390 3 1HB ASN 1 1HB ASN 1 -0.741 -3.899 -6.816 4 2HB ASN 1 2HB ASN 1 -0.101 -5.325 -6.005 5 1HD2 ASN 1 1HD2 ASN 1 -2.976 -4.042 -7.595 6 2HD2 ASN 1 2HD2 ASN 1 -3.538 -5.560 -8.198 7 H ILE 2 H ILE 2 -0.803 -5.097 -2.644 8 HA ILE 2 HA ILE 2 1.049 -2.833 -2.293 9 HB ILE 2 HB ILE 2 -0.153 -4.554 -0.123 10 1HG1 ILE 2 1HG1 ILE 2 -1.902 -3.239 -1.192 11 2HG1 ILE 2 2HG1 ILE 2 -1.542 -2.570 0.396 12 1HG2 ILE 2 1HG2 ILE 2 2.033 -2.737 -0.157 13 2HG2 ILE 2 2HG2 ILE 2 0.732 -2.026 0.797 14 3HG2 ILE 2 3HG2 ILE 2 1.356 -3.623 1.209 15 1HD1 ILE 2 1HD1 ILE 2 0.018 -0.971 -0.890 16 2HD1 ILE 2 2HD1 ILE 2 -0.917 -1.463 -2.303 17 3HD1 ILE 2 3HD1 ILE 2 -1.723 -0.696 -0.935 18 H SER 3 H SER 3 2.621 -4.048 -3.558 19 HA SER 3 HA SER 3 4.420 -5.424 -3.817 20 1HB SER 3 1HB SER 3 4.583 -5.524 -0.809 21 2HB SER 3 2HB SER 3 5.901 -5.548 -1.980 22 HG SER 3 HG SER 3 5.781 -3.429 -2.187 23 H GLN 4 H GLN 4 1.976 -6.758 -3.892 24 HA GLN 4 HA GLN 4 2.651 -9.329 -2.620 25 1HB GLN 4 1HB GLN 4 0.019 -7.961 -3.020 26 2HB GLN 4 2HB GLN 4 0.081 -9.718 -2.976 27 1HG GLN 4 1HG GLN 4 1.051 -9.665 -0.765 28 2HG GLN 4 2HG GLN 4 1.113 -7.903 -0.809 29 1HE2 GLN 4 1HE2 GLN 4 -0.523 -10.395 0.448 30 2HE2 GLN 4 2HE2 GLN 4 -2.083 -9.679 0.645 31 H HIS 5 H HIS 5 3.291 -10.804 -4.031 32 HA HIS 5 HA HIS 5 3.299 -10.557 -6.780 33 1HB HIS 5 1HB HIS 5 3.539 -13.108 -6.762 34 2HB HIS 5 2HB HIS 5 4.731 -12.185 -5.852 35 HD1 HIS 5 HD1 HIS 5 5.281 -13.970 -4.145 36 HD2 HIS 5 HD2 HIS 5 1.221 -13.115 -4.352 37 HE1 HIS 5 HE1 HIS 5 4.244 -15.152 -2.182 38 H GLN 6 H GLN 6 2.179 -12.026 -8.366 39 HA GLN 6 HA GLN 6 -0.500 -12.859 -7.663 40 1HB GLN 6 1HB GLN 6 -0.308 -10.273 -8.373 41 2HB GLN 6 2HB GLN 6 -0.440 -10.996 -9.971 42 1HG GLN 6 1HG GLN 6 -2.586 -11.669 -9.648 43 2HG GLN 6 2HG GLN 6 -2.382 -11.860 -7.907 44 1HE2 GLN 6 1HE2 GLN 6 -3.426 -9.830 -10.423 45 2HE2 GLN 6 2HE2 GLN 6 -3.853 -8.460 -9.461 46 H CYS 7 H CYS 7 -1.665 -13.456 -9.893 47 HA CYS 7 HA CYS 7 0.081 -15.407 -11.113 48 1HB CYS 7 1HB CYS 7 -2.794 -14.837 -11.834 49 2HB CYS 7 2HB CYS 7 -1.890 -16.323 -12.104 50 H VAL 8 H VAL 8 0.791 -15.454 -13.203 51 HA VAL 8 HA VAL 8 0.291 -13.028 -14.804 52 HB VAL 8 HB VAL 8 2.528 -13.561 -15.879 53 1HG1 VAL 8 1HG1 VAL 8 3.033 -12.983 -13.014 54 2HG1 VAL 8 2HG1 VAL 8 3.579 -12.127 -14.457 55 3HG1 VAL 8 3HG1 VAL 8 1.924 -11.920 -13.880 56 1HG2 VAL 8 1HG2 VAL 8 2.348 -15.898 -14.494 57 2HG2 VAL 8 2HG2 VAL 8 3.841 -15.234 -15.156 58 3HG2 VAL 8 3HG2 VAL 8 3.428 -14.958 -13.464 59 H LYS 9 H LYS 9 0.272 -16.477 -14.714 60 HA LYS 9 HA LYS 9 -0.792 -16.518 -17.446 61 1HB LYS 9 1HB LYS 9 1.232 -18.509 -16.406 62 2HB LYS 9 2HB LYS 9 0.485 -18.518 -17.998 63 1HG LYS 9 1HG LYS 9 2.111 -16.186 -17.053 64 2HG LYS 9 2HG LYS 9 2.864 -17.607 -17.783 65 1HD LYS 9 1HD LYS 9 1.877 -17.228 -19.847 66 2HD LYS 9 2HD LYS 9 0.584 -16.241 -19.160 67 1HE LYS 9 1HE LYS 9 2.127 -14.436 -18.741 68 2HE LYS 9 2HE LYS 9 3.487 -15.428 -19.263 69 1HZ LYS 9 1HZ LYS 9 1.543 -15.370 -21.297 70 2HZ LYS 9 2HZ LYS 9 3.133 -14.796 -21.340 71 3HZ LYS 9 3HZ LYS 9 1.882 -13.780 -20.826 72 H LYS 10 H LYS 10 -2.503 -16.497 -15.449 73 HA LYS 10 HA LYS 10 -3.540 -19.225 -15.422 74 1HB LYS 10 1HB LYS 10 -2.205 -18.593 -13.262 75 2HB LYS 10 2HB LYS 10 -3.640 -17.655 -12.870 76 1HG LYS 10 1HG LYS 10 -3.808 -19.788 -11.810 77 2HG LYS 10 2HG LYS 10 -4.993 -19.720 -13.116 78 1HD LYS 10 1HD LYS 10 -4.142 -21.687 -13.762 79 2HD LYS 10 2HD LYS 10 -2.774 -20.748 -14.366 80 1HE LYS 10 1HE LYS 10 -1.857 -22.474 -13.034 81 2HE LYS 10 2HE LYS 10 -1.749 -21.000 -12.073 82 1HZ LYS 10 1HZ LYS 10 -2.878 -23.372 -11.299 83 2HZ LYS 10 2HZ LYS 10 -4.205 -22.375 -11.624 84 3HZ LYS 10 3HZ LYS 10 -3.031 -21.883 -10.510 85 H GLN 11 H GLN 11 -5.802 -19.359 -15.142 86 HA GLN 11 HA GLN 11 -7.195 -16.935 -15.937 87 1HB GLN 11 1HB GLN 11 -7.815 -19.850 -15.957 88 2HB GLN 11 2HB GLN 11 -9.162 -18.720 -15.914 89 1HG GLN 11 1HG GLN 11 -6.973 -18.702 -17.979 90 2HG GLN 11 2HG GLN 11 -8.556 -19.448 -18.190 91 1HE2 GLN 11 1HE2 GLN 11 -6.753 -16.688 -18.632 92 2HE2 GLN 11 2HE2 GLN 11 -8.037 -15.570 -18.925 93 H CYS 12 H CYS 12 -8.253 -19.532 -13.754 94 HA CYS 12 HA CYS 12 -9.250 -19.496 -11.711 95 1HB CYS 12 1HB CYS 12 -7.959 -16.780 -11.393 96 2HB CYS 12 2HB CYS 12 -8.559 -17.816 -10.103 97 HA PRO 13 HA PRO 13 -13.079 -17.404 -12.180 98 1HB PRO 13 1HB PRO 13 -13.971 -17.334 -9.618 99 2HB PRO 13 2HB PRO 13 -13.917 -18.818 -10.575 100 1HG PRO 13 1HG PRO 13 -11.992 -17.825 -8.509 101 2HG PRO 13 2HG PRO 13 -12.625 -19.464 -8.753 102 1HD PRO 13 1HD PRO 13 -10.169 -18.709 -9.606 103 2HD PRO 13 2HD PRO 13 -11.149 -19.915 -10.465 104 H GLN 14 H GLN 14 -14.420 -15.569 -11.128 105 HA GLN 14 HA GLN 14 -12.619 -13.290 -10.793 106 1HB GLN 14 1HB GLN 14 -15.601 -13.312 -11.283 107 2HB GLN 14 2HB GLN 14 -14.547 -11.905 -11.330 108 1HG GLN 14 1HG GLN 14 -14.783 -12.380 -13.557 109 2HG GLN 14 2HG GLN 14 -13.293 -13.239 -13.172 110 1HE2 GLN 14 1HE2 GLN 14 -13.170 -15.265 -13.810 111 2HE2 GLN 14 2HE2 GLN 14 -14.503 -16.292 -14.200 112 H ASN 15 H ASN 15 -14.430 -15.377 -8.913 113 HA ASN 15 HA ASN 15 -14.999 -13.383 -6.848 114 1HB ASN 15 1HB ASN 15 -15.806 -16.278 -7.157 115 2HB ASN 15 2HB ASN 15 -16.144 -15.333 -5.710 116 1HD2 ASN 15 1HD2 ASN 15 -17.751 -13.828 -5.735 117 2HD2 ASN 15 2HD2 ASN 15 -18.841 -13.621 -7.059 118 H SER 16 H SER 16 -12.388 -15.007 -7.737 119 HA SER 16 HA SER 16 -11.481 -15.398 -4.963 120 1HB SER 16 1HB SER 16 -10.525 -17.076 -7.285 121 2HB SER 16 2HB SER 16 -10.244 -17.347 -5.565 122 HG SER 16 HG SER 16 -11.891 -18.703 -6.350 123 H GLY 17 H GLY 17 -9.254 -14.975 -4.568 124 1HA GLY 17 1HA GLY 17 -8.069 -13.172 -6.583 125 2HA GLY 17 2HA GLY 17 -7.837 -13.015 -4.848 126 H CYS 18 H CYS 18 -7.230 -15.240 -7.552 127 HA CYS 18 HA CYS 18 -5.464 -16.984 -6.411 128 1HB CYS 18 1HB CYS 18 -4.718 -17.512 -8.565 129 2HB CYS 18 2HB CYS 18 -6.325 -16.848 -8.844 130 H PHE 19 H PHE 19 -3.087 -17.110 -6.588 131 HA PHE 19 HA PHE 19 -1.551 -14.717 -6.848 132 1HB PHE 19 1HB PHE 19 -0.860 -14.411 -4.579 133 2HB PHE 19 2HB PHE 19 -2.621 -14.442 -4.581 134 HD1 PHE 19 HD1 PHE 19 0.179 -15.552 -2.895 135 HD2 PHE 19 HD2 PHE 19 -3.593 -16.940 -4.297 136 HE1 PHE 19 HE1 PHE 19 0.216 -17.344 -1.210 137 HE2 PHE 19 HE2 PHE 19 -3.562 -18.733 -2.613 138 HZ PHE 19 HZ PHE 19 -1.657 -18.937 -1.066 139 H ARG 20 H ARG 20 0.602 -15.144 -7.107 140 HA ARG 20 HA ARG 20 1.320 -17.941 -7.360 141 1HB ARG 20 1HB ARG 20 1.894 -15.909 -8.951 142 2HB ARG 20 2HB ARG 20 3.261 -15.727 -7.860 143 1HG ARG 20 1HG ARG 20 4.307 -17.545 -8.657 144 2HG ARG 20 2HG ARG 20 2.807 -18.459 -8.831 145 1HD ARG 20 1HD ARG 20 2.760 -18.029 -11.009 146 2HD ARG 20 2HD ARG 20 2.803 -16.295 -10.692 147 HE ARG 20 HE ARG 20 4.963 -17.926 -11.589 148 1HH1 ARG 20 1HH1 ARG 20 4.173 -15.109 -9.702 149 2HH1 ARG 20 2HH1 ARG 20 5.717 -14.358 -9.937 150 1HH2 ARG 20 1HH2 ARG 20 6.999 -16.948 -11.906 151 2HH2 ARG 20 2HH2 ARG 20 7.323 -15.404 -11.192 152 H HIS 21 H HIS 21 2.317 -19.059 -5.829 153 HA HIS 21 HA HIS 21 3.180 -17.862 -3.397 154 1HB HIS 21 1HB HIS 21 3.140 -20.620 -4.526 155 2HB HIS 21 2HB HIS 21 4.207 -20.307 -3.161 156 HD1 HIS 21 HD1 HIS 21 2.921 -19.208 -1.006 157 HD2 HIS 21 HD2 HIS 21 0.582 -21.175 -3.821 158 HE1 HIS 21 HE1 HIS 21 0.748 -19.710 0.157 159 H LEU 22 H LEU 22 5.446 -18.711 -2.528 160 HA LEU 22 HA LEU 22 7.407 -17.291 -4.025 161 1HB LEU 22 1HB LEU 22 7.979 -19.167 -1.752 162 2HB LEU 22 2HB LEU 22 8.888 -17.741 -2.249 163 HG LEU 22 HG LEU 22 6.213 -17.802 -0.859 164 1HD1 LEU 22 1HD1 LEU 22 7.483 -16.549 0.877 165 2HD1 LEU 22 2HD1 LEU 22 8.959 -16.889 -0.025 166 3HD1 LEU 22 3HD1 LEU 22 8.017 -18.215 0.656 167 1HD2 LEU 22 1HD2 LEU 22 6.474 -15.313 -0.835 168 2HD2 LEU 22 2HD2 LEU 22 6.129 -16.004 -2.421 169 3HD2 LEU 22 3HD2 LEU 22 7.770 -15.498 -2.017 170 H ASP 23 H ASP 23 6.389 -20.579 -3.911 171 HA ASP 23 HA ASP 23 8.819 -21.517 -5.239 172 1HB ASP 23 1HB ASP 23 7.488 -22.745 -3.326 173 2HB ASP 23 2HB ASP 23 6.483 -23.295 -4.663 174 H GLU 24 H GLU 24 6.920 -19.702 -6.549 175 HA GLU 24 HA GLU 24 5.878 -19.415 -8.553 176 1HB GLU 24 1HB GLU 24 7.505 -21.864 -9.259 177 2HB GLU 24 2HB GLU 24 6.691 -20.827 -10.422 178 1HG GLU 24 1HG GLU 24 8.137 -19.037 -10.015 179 2HG GLU 24 2HG GLU 24 8.725 -19.741 -8.510 180 H ARG 25 H ARG 25 4.227 -20.559 -6.763 181 HA ARG 25 HA ARG 25 2.730 -22.502 -8.392 182 1HB ARG 25 1HB ARG 25 3.648 -23.741 -6.553 183 2HB ARG 25 2HB ARG 25 3.146 -22.509 -5.402 184 1HG ARG 25 1HG ARG 25 0.887 -23.104 -5.579 185 2HG ARG 25 2HG ARG 25 1.161 -24.031 -7.056 186 1HD ARG 25 1HD ARG 25 0.916 -25.649 -5.381 187 2HD ARG 25 2HD ARG 25 2.658 -25.528 -5.631 188 HE ARG 25 HE ARG 25 1.659 -23.834 -3.531 189 1HH1 ARG 25 1HH1 ARG 25 2.835 -27.008 -4.345 190 2HH1 ARG 25 2HH1 ARG 25 3.346 -27.376 -2.730 191 1HH2 ARG 25 1HH2 ARG 25 2.327 -24.306 -1.402 192 2HH2 ARG 25 2HH2 ARG 25 3.055 -25.838 -1.057 193 H GLU 26 H GLU 26 1.059 -21.375 -9.166 194 HA GLU 26 HA GLU 26 -0.148 -19.225 -7.670 195 1HB GLU 26 1HB GLU 26 -1.066 -20.464 -10.269 196 2HB GLU 26 2HB GLU 26 -1.557 -18.908 -9.614 197 1HG GLU 26 1HG GLU 26 0.534 -17.943 -10.033 198 2HG GLU 26 2HG GLU 26 1.305 -19.511 -10.265 199 H GLU 27 H GLU 27 -1.949 -19.291 -6.469 200 HA GLU 27 HA GLU 27 -3.592 -21.733 -6.560 201 1HB GLU 27 1HB GLU 27 -1.960 -20.935 -4.434 202 2HB GLU 27 2HB GLU 27 -3.587 -20.482 -3.947 203 1HG GLU 27 1HG GLU 27 -2.624 -23.217 -4.742 204 2HG GLU 27 2HG GLU 27 -3.119 -22.681 -3.137 205 H CYS 28 H CYS 28 -5.471 -21.118 -7.411 206 HA CYS 28 HA CYS 28 -6.505 -18.466 -7.168 207 1HB CYS 28 1HB CYS 28 -8.039 -20.902 -8.075 208 2HB CYS 28 2HB CYS 28 -8.326 -19.220 -8.509 209 H LYS 29 H LYS 29 -6.412 -18.469 -4.765 210 HA LYS 29 HA LYS 29 -8.534 -19.955 -3.436 211 1HB LYS 29 1HB LYS 29 -6.233 -18.273 -2.511 212 2HB LYS 29 2HB LYS 29 -7.573 -18.592 -1.417 213 1HG LYS 29 1HG LYS 29 -6.106 -20.798 -2.825 214 2HG LYS 29 2HG LYS 29 -5.565 -20.138 -1.280 215 1HD LYS 29 1HD LYS 29 -8.328 -21.243 -1.768 216 2HD LYS 29 2HD LYS 29 -6.994 -22.183 -1.094 217 1HE LYS 29 1HE LYS 29 -7.818 -21.483 0.878 218 2HE LYS 29 2HE LYS 29 -6.934 -20.003 0.507 219 1HZ LYS 29 1HZ LYS 29 -9.544 -20.091 1.078 220 2HZ LYS 29 2HZ LYS 29 -9.600 -20.154 -0.611 221 3HZ LYS 29 3HZ LYS 29 -8.820 -18.867 0.162 222 H CYS 30 H CYS 30 -10.239 -18.982 -2.300 223 HA CYS 30 HA CYS 30 -11.419 -16.752 -3.554 224 1HB CYS 30 1HB CYS 30 -12.153 -17.790 -0.818 225 2HB CYS 30 2HB CYS 30 -13.198 -16.993 -1.990 226 H LEU 31 H LEU 31 -11.791 -14.650 -2.812 227 HA LEU 31 HA LEU 31 -9.656 -13.332 -1.623 228 1HB LEU 31 1HB LEU 31 -12.545 -12.498 -1.823 229 2HB LEU 31 2HB LEU 31 -11.228 -11.424 -1.358 230 HG LEU 31 HG LEU 31 -10.962 -12.822 -3.957 231 1HD1 LEU 31 1HD1 LEU 31 -13.194 -12.260 -4.290 232 2HD1 LEU 31 2HD1 LEU 31 -12.320 -10.884 -4.960 233 3HD1 LEU 31 3HD1 LEU 31 -13.058 -10.765 -3.363 234 1HD2 LEU 31 1HD2 LEU 31 -10.411 -10.024 -2.973 235 2HD2 LEU 31 2HD2 LEU 31 -10.051 -10.619 -4.594 236 3HD2 LEU 31 3HD2 LEU 31 -9.231 -11.316 -3.196 237 H LEU 32 H LEU 32 -10.179 -11.762 0.363 238 HA LEU 32 HA LEU 32 -10.348 -13.496 2.638 239 1HB LEU 32 1HB LEU 32 -8.830 -11.513 2.433 240 2HB LEU 32 2HB LEU 32 -10.252 -10.486 2.604 241 HG LEU 32 HG LEU 32 -9.981 -12.429 4.763 242 1HD1 LEU 32 1HD1 LEU 32 -7.862 -10.302 4.499 243 2HD1 LEU 32 2HD1 LEU 32 -7.592 -12.029 4.263 244 3HD1 LEU 32 3HD1 LEU 32 -8.083 -11.422 5.844 245 1HD2 LEU 32 1HD2 LEU 32 -11.034 -10.812 5.887 246 2HD2 LEU 32 2HD2 LEU 32 -11.226 -10.020 4.323 247 3HD2 LEU 32 3HD2 LEU 32 -9.880 -9.581 5.375 248 H ASN 33 H ASN 33 -12.667 -12.073 0.762 249 HA ASN 33 HA ASN 33 -14.550 -11.783 3.004 250 1HB ASN 33 1HB ASN 33 -15.128 -10.844 0.211 251 2HB ASN 33 2HB ASN 33 -15.790 -10.261 1.735 252 1HD2 ASN 33 1HD2 ASN 33 -13.462 -9.907 3.181 253 2HD2 ASN 33 2HD2 ASN 33 -12.548 -8.624 2.472 254 H TYR 34 H TYR 34 -13.681 -14.309 1.743 255 HA TYR 34 HA TYR 34 -16.350 -15.287 1.005 256 1HB TYR 34 1HB TYR 34 -13.759 -15.858 -0.437 257 2HB TYR 34 2HB TYR 34 -15.203 -16.846 -0.632 258 HD1 TYR 34 HD1 TYR 34 -16.688 -16.323 -2.328 259 HD2 TYR 34 HD2 TYR 34 -14.107 -13.282 -0.848 260 HE1 TYR 34 HE1 TYR 34 -17.508 -14.789 -4.067 261 HE2 TYR 34 HE2 TYR 34 -14.921 -11.739 -2.582 262 HH TYR 34 HH TYR 34 -15.989 -12.048 -4.965 263 H LYS 35 H LYS 35 -16.654 -16.201 3.019 264 HA LYS 35 HA LYS 35 -14.691 -17.913 4.224 265 1HB LYS 35 1HB LYS 35 -17.598 -17.847 4.984 266 2HB LYS 35 2HB LYS 35 -16.202 -18.158 6.007 267 1HG LYS 35 1HG LYS 35 -15.564 -15.705 5.407 268 2HG LYS 35 2HG LYS 35 -17.278 -15.564 5.007 269 1HD LYS 35 1HD LYS 35 -16.166 -16.498 7.653 270 2HD LYS 35 2HD LYS 35 -16.810 -14.887 7.324 271 1HE LYS 35 1HE LYS 35 -18.672 -15.858 8.212 272 2HE LYS 35 2HE LYS 35 -18.905 -16.290 6.518 273 1HZ LYS 35 1HZ LYS 35 -18.976 -18.048 8.514 274 2HZ LYS 35 2HZ LYS 35 -17.343 -18.163 8.090 275 3HZ LYS 35 3HZ LYS 35 -18.539 -18.455 6.931 276 H GLN 36 H GLN 36 -14.221 -19.711 3.077 277 HA GLN 36 HA GLN 36 -15.857 -21.181 1.424 278 1HB GLN 36 1HB GLN 36 -13.273 -21.390 2.212 279 2HB GLN 36 2HB GLN 36 -13.969 -22.773 3.045 280 1HG GLN 36 1HG GLN 36 -13.050 -23.353 0.848 281 2HG GLN 36 2HG GLN 36 -14.779 -23.676 0.967 282 1HE2 GLN 36 1HE2 GLN 36 -14.400 -23.686 -1.433 283 2HE2 GLN 36 2HE2 GLN 36 -14.598 -22.183 -2.262 284 H GLU 37 H GLU 37 -17.753 -22.091 1.834 285 HA GLU 37 HA GLU 37 -18.326 -23.082 4.527 286 1HB GLU 37 1HB GLU 37 -19.863 -21.516 3.100 287 2HB GLU 37 2HB GLU 37 -20.339 -23.012 2.309 288 1HG GLU 37 1HG GLU 37 -21.367 -23.843 4.186 289 2HG GLU 37 2HG GLU 37 -20.406 -22.853 5.282 290 H GLY 38 H GLY 38 -18.336 -24.145 1.146 291 1HA GLY 38 1HA GLY 38 -18.196 -26.922 2.125 292 2HA GLY 38 2HA GLY 38 -19.310 -26.493 0.835 293 H ASP 39 H ASP 39 -18.579 -26.343 -1.229 294 HA ASP 39 HA ASP 39 -15.682 -26.637 -1.658 295 1HB ASP 39 1HB ASP 39 -17.909 -28.151 -3.032 296 2HB ASP 39 2HB ASP 39 -16.242 -28.130 -3.601 297 H LYS 40 H LYS 40 -16.928 -24.188 -1.714 298 HA LYS 40 HA LYS 40 -16.245 -23.250 -4.295 299 1HB LYS 40 1HB LYS 40 -18.559 -22.327 -4.826 300 2HB LYS 40 2HB LYS 40 -18.319 -24.049 -5.089 301 1HG LYS 40 1HG LYS 40 -19.655 -24.647 -3.317 302 2HG LYS 40 2HG LYS 40 -19.421 -23.109 -2.484 303 1HD LYS 40 1HD LYS 40 -20.856 -23.226 -5.112 304 2HD LYS 40 2HD LYS 40 -21.701 -23.591 -3.607 305 1HE LYS 40 1HE LYS 40 -21.264 -21.422 -2.740 306 2HE LYS 40 2HE LYS 40 -20.125 -21.062 -4.037 307 1HZ LYS 40 1HZ LYS 40 -22.666 -21.749 -5.092 308 2HZ LYS 40 2HZ LYS 40 -21.772 -20.329 -5.304 309 3HZ LYS 40 3HZ LYS 40 -22.818 -20.480 -3.983 310 H CYS 41 H CYS 41 -16.331 -20.940 -4.460 311 HA CYS 41 HA CYS 41 -15.892 -19.638 -1.963 312 1HB CYS 41 1HB CYS 41 -16.138 -18.484 -4.749 313 2HB CYS 41 2HB CYS 41 -15.549 -17.612 -3.337 314 H VAL 42 H VAL 42 -17.140 -18.191 -0.861 315 HA VAL 42 HA VAL 42 -19.759 -17.471 -1.955 316 HB VAL 42 HB VAL 42 -20.767 -17.952 0.329 317 1HG1 VAL 42 1HG1 VAL 42 -20.715 -20.543 -0.225 318 2HG1 VAL 42 2HG1 VAL 42 -21.580 -19.390 -1.243 319 3HG1 VAL 42 3HG1 VAL 42 -19.977 -19.955 -1.715 320 1HG2 VAL 42 1HG2 VAL 42 -18.164 -18.496 1.024 321 2HG2 VAL 42 2HG2 VAL 42 -19.594 -18.947 1.953 322 3HG2 VAL 42 3HG2 VAL 42 -18.867 -20.103 0.838 323 H GLU 43 H GLU 43 -19.685 -15.320 -1.959 324 HA GLU 43 HA GLU 43 -18.072 -13.758 -0.253 325 1HB GLU 43 1HB GLU 43 -19.066 -13.146 -2.543 326 2HB GLU 43 2HB GLU 43 -20.528 -12.734 -1.658 327 1HG GLU 43 1HG GLU 43 -18.788 -11.331 -0.220 328 2HG GLU 43 2HG GLU 43 -17.911 -11.360 -1.749 329 H ASN 44 H ASN 44 -18.462 -14.211 1.894 330 HA ASN 44 HA ASN 44 -19.456 -14.067 3.935 331 1HB ASN 44 1HB ASN 44 -19.587 -11.713 3.540 332 2HB ASN 44 2HB ASN 44 -20.969 -11.906 2.464 333 1HD2 ASN 44 1HD2 ASN 44 -20.229 -13.173 5.692 334 2HD2 ASN 44 2HD2 ASN 44 -21.658 -12.560 6.446 335 HA PRO 45 HA PRO 45 -22.887 -16.853 2.600 336 1HB PRO 45 1HB PRO 45 -22.167 -18.885 4.251 337 2HB PRO 45 2HB PRO 45 -21.472 -18.663 2.641 338 1HG PRO 45 1HG PRO 45 -20.354 -17.895 5.310 339 2HG PRO 45 2HG PRO 45 -19.534 -18.642 3.926 340 1HD PRO 45 1HD PRO 45 -19.345 -15.998 4.477 341 2HD PRO 45 2HD PRO 45 -19.299 -16.634 2.820 342 H ASN 46 H ASN 46 -21.609 -16.500 5.913 343 HA ASN 46 HA ASN 46 -24.105 -15.505 6.891 344 1HB ASN 46 1HB ASN 46 -23.414 -18.372 7.240 345 2HB ASN 46 2HB ASN 46 -24.049 -17.535 8.653 346 1HD2 ASN 46 1HD2 ASN 46 -24.880 -19.343 6.065 347 2HD2 ASN 46 2HD2 ASN 46 -26.530 -18.863 5.884 348 HA PRO 47 HA PRO 47 -21.537 -13.809 10.017 349 1HB PRO 47 1HB PRO 47 -23.188 -13.758 12.171 350 2HB PRO 47 2HB PRO 47 -23.382 -12.676 10.787 351 1HG PRO 47 1HG PRO 47 -24.836 -15.214 11.425 352 2HG PRO 47 2HG PRO 47 -25.480 -13.678 10.814 353 1HD PRO 47 1HD PRO 47 -25.022 -15.808 9.206 354 2HD PRO 47 2HD PRO 47 -24.851 -14.133 8.644 355 H THR 48 H THR 48 -23.249 -16.766 10.926 356 HA THR 48 HA THR 48 -21.590 -17.361 13.166 357 HB THR 48 HB THR 48 -23.211 -19.362 11.593 358 HG1 THR 48 HG1 THR 48 -24.896 -18.765 13.134 359 1HG2 THR 48 1HG2 THR 48 -22.873 -19.343 14.560 360 2HG2 THR 48 2HG2 THR 48 -21.553 -19.933 13.550 361 3HG2 THR 48 3HG2 THR 48 -23.138 -20.701 13.467 362 1HN NH2 49 1HN THR 49 -20.106 -19.190 9.775 363 2HN NH2 49 2HN THR 49 -21.667 -18.440 9.770 Start of MODEL 17 1 1H ASN 1 1HT ASN 1 6.304 0.195 -2.102 2 HA ASN 1 HA ASN 1 7.294 -1.824 -4.000 3 1HB ASN 1 1HB ASN 1 9.054 -2.367 -2.247 4 2HB ASN 1 2HB ASN 1 9.279 -0.857 -3.125 5 1HD2 ASN 1 1HD2 ASN 1 8.844 -2.329 -0.091 6 2HD2 ASN 1 2HD2 ASN 1 8.827 -0.891 0.867 7 H ILE 2 H ILE 2 4.722 -1.700 -2.780 8 HA ILE 2 HA ILE 2 4.864 -4.067 -1.029 9 HB ILE 2 HB ILE 2 2.776 -3.307 0.045 10 1HG1 ILE 2 1HG1 ILE 2 2.701 -0.579 -0.472 11 2HG1 ILE 2 2HG1 ILE 2 2.940 -1.297 -2.062 12 1HG2 ILE 2 1HG2 ILE 2 4.692 -1.042 0.337 13 2HG2 ILE 2 2HG2 ILE 2 3.831 -1.955 1.574 14 3HG2 ILE 2 3HG2 ILE 2 5.215 -2.674 0.751 15 1HD1 ILE 2 1HD1 ILE 2 0.836 -2.407 -0.276 16 2HD1 ILE 2 2HD1 ILE 2 0.542 -0.891 -1.128 17 3HD1 ILE 2 3HD1 ILE 2 0.913 -2.357 -2.037 18 H SER 3 H SER 3 4.588 -3.850 -3.965 19 HA SER 3 HA SER 3 1.855 -4.531 -4.566 20 1HB SER 3 1HB SER 3 2.850 -3.485 -6.381 21 2HB SER 3 2HB SER 3 4.393 -4.304 -6.141 22 HG SER 3 HG SER 3 3.714 -5.940 -7.299 23 H GLN 4 H GLN 4 1.224 -6.388 -3.586 24 HA GLN 4 HA GLN 4 2.831 -8.684 -3.267 25 1HB GLN 4 1HB GLN 4 0.841 -9.794 -2.533 26 2HB GLN 4 2HB GLN 4 0.781 -8.141 -1.936 27 1HG GLN 4 1HG GLN 4 -0.655 -7.605 -3.942 28 2HG GLN 4 2HG GLN 4 -0.761 -9.344 -4.213 29 1HE2 GLN 4 1HE2 GLN 4 -2.547 -6.980 -3.180 30 2HE2 GLN 4 2HE2 GLN 4 -3.408 -7.720 -1.878 31 H HIS 5 H HIS 5 3.112 -10.484 -4.485 32 HA HIS 5 HA HIS 5 2.879 -10.379 -7.244 33 1HB HIS 5 1HB HIS 5 3.176 -12.905 -7.124 34 2HB HIS 5 2HB HIS 5 4.412 -11.936 -6.328 35 HD1 HIS 5 HD1 HIS 5 5.005 -13.947 -4.790 36 HD2 HIS 5 HD2 HIS 5 1.113 -12.553 -4.376 37 HE1 HIS 5 HE1 HIS 5 4.137 -14.993 -2.674 38 H GLN 6 H GLN 6 1.657 -12.086 -8.572 39 HA GLN 6 HA GLN 6 -0.868 -12.999 -7.643 40 1HB GLN 6 1HB GLN 6 -0.869 -10.316 -8.265 41 2HB GLN 6 2HB GLN 6 -1.424 -11.056 -9.761 42 1HG GLN 6 1HG GLN 6 -2.965 -12.383 -8.026 43 2HG GLN 6 2HG GLN 6 -2.736 -10.886 -7.124 44 1HE2 GLN 6 1HE2 GLN 6 -4.088 -9.296 -7.543 45 2HE2 GLN 6 2HE2 GLN 6 -5.059 -9.133 -8.963 46 H CYS 7 H CYS 7 -2.311 -13.441 -9.771 47 HA CYS 7 HA CYS 7 -0.676 -15.201 -11.361 48 1HB CYS 7 1HB CYS 7 -3.613 -14.625 -11.744 49 2HB CYS 7 2HB CYS 7 -2.722 -16.063 -12.232 50 H VAL 8 H VAL 8 0.009 -14.918 -13.401 51 HA VAL 8 HA VAL 8 -0.920 -12.519 -14.842 52 HB VAL 8 HB VAL 8 1.436 -12.613 -15.912 53 1HG1 VAL 8 1HG1 VAL 8 0.430 -10.937 -14.226 54 2HG1 VAL 8 2HG1 VAL 8 1.452 -11.755 -13.043 55 3HG1 VAL 8 3HG1 VAL 8 2.179 -10.971 -14.446 56 1HG2 VAL 8 1HG2 VAL 8 3.042 -13.899 -15.018 57 2HG2 VAL 8 2HG2 VAL 8 2.497 -13.603 -13.367 58 3HG2 VAL 8 3HG2 VAL 8 1.703 -14.833 -14.350 59 H LYS 9 H LYS 9 -0.818 -15.825 -14.840 60 HA LYS 9 HA LYS 9 -1.445 -15.921 -17.686 61 1HB LYS 9 1HB LYS 9 -0.003 -17.935 -17.993 62 2HB LYS 9 2HB LYS 9 0.899 -16.452 -17.711 63 1HG LYS 9 1HG LYS 9 0.703 -17.340 -15.189 64 2HG LYS 9 2HG LYS 9 0.670 -18.879 -16.054 65 1HD LYS 9 1HD LYS 9 2.900 -18.742 -16.086 66 2HD LYS 9 2HD LYS 9 2.693 -17.487 -17.309 67 1HE LYS 9 1HE LYS 9 3.112 -15.790 -15.835 68 2HE LYS 9 2HE LYS 9 2.505 -16.697 -14.450 69 1HZ LYS 9 1HZ LYS 9 4.682 -18.115 -15.237 70 2HZ LYS 9 2HZ LYS 9 4.638 -17.012 -13.956 71 3HZ LYS 9 3HZ LYS 9 5.173 -16.515 -15.482 72 H LYS 10 H LYS 10 -2.646 -16.341 -14.875 73 HA LYS 10 HA LYS 10 -3.778 -19.015 -15.367 74 1HB LYS 10 1HB LYS 10 -2.521 -18.489 -13.172 75 2HB LYS 10 2HB LYS 10 -3.945 -17.549 -12.746 76 1HG LYS 10 1HG LYS 10 -4.086 -19.751 -11.777 77 2HG LYS 10 2HG LYS 10 -5.333 -19.559 -13.012 78 1HD LYS 10 1HD LYS 10 -3.082 -20.572 -14.343 79 2HD LYS 10 2HD LYS 10 -3.211 -21.495 -12.844 80 1HE LYS 10 1HE LYS 10 -5.796 -21.459 -13.628 81 2HE LYS 10 2HE LYS 10 -4.987 -21.429 -15.194 82 1HZ LYS 10 1HZ LYS 10 -4.291 -23.528 -14.960 83 2HZ LYS 10 2HZ LYS 10 -5.506 -23.656 -13.791 84 3HZ LYS 10 3HZ LYS 10 -3.911 -23.347 -13.321 85 H GLN 11 H GLN 11 -6.061 -19.301 -14.838 86 HA GLN 11 HA GLN 11 -7.606 -16.979 -15.694 87 1HB GLN 11 1HB GLN 11 -8.020 -19.922 -15.703 88 2HB GLN 11 2HB GLN 11 -9.453 -18.912 -15.565 89 1HG GLN 11 1HG GLN 11 -8.450 -17.663 -17.607 90 2HG GLN 11 2HG GLN 11 -7.510 -19.140 -17.816 91 1HE2 GLN 11 1HE2 GLN 11 -9.302 -18.262 -19.720 92 2HE2 GLN 11 2HE2 GLN 11 -10.631 -19.363 -19.802 93 H CYS 12 H CYS 12 -8.480 -19.603 -13.464 94 HA CYS 12 HA CYS 12 -9.436 -19.598 -11.401 95 1HB CYS 12 1HB CYS 12 -8.283 -16.817 -11.124 96 2HB CYS 12 2HB CYS 12 -8.788 -17.884 -9.818 97 HA PRO 13 HA PRO 13 -13.372 -17.701 -11.818 98 1HB PRO 13 1HB PRO 13 -14.226 -17.675 -9.241 99 2HB PRO 13 2HB PRO 13 -14.113 -19.155 -10.201 100 1HG PRO 13 1HG PRO 13 -12.207 -18.069 -8.164 101 2HG PRO 13 2HG PRO 13 -12.762 -19.736 -8.400 102 1HD PRO 13 1HD PRO 13 -10.360 -18.861 -9.291 103 2HD PRO 13 2HD PRO 13 -11.293 -20.113 -10.135 104 H GLN 14 H GLN 14 -14.796 -15.983 -10.527 105 HA GLN 14 HA GLN 14 -13.103 -13.597 -10.292 106 1HB GLN 14 1HB GLN 14 -15.115 -12.309 -10.768 107 2HB GLN 14 2HB GLN 14 -14.862 -13.530 -12.008 108 1HG GLN 14 1HG GLN 14 -16.588 -14.308 -9.748 109 2HG GLN 14 2HG GLN 14 -17.223 -13.072 -10.833 110 1HE2 GLN 14 1HE2 GLN 14 -16.890 -13.644 -13.220 111 2HE2 GLN 14 2HE2 GLN 14 -17.301 -15.262 -13.667 112 H ASN 15 H ASN 15 -14.532 -15.815 -8.341 113 HA ASN 15 HA ASN 15 -15.178 -13.856 -6.245 114 1HB ASN 15 1HB ASN 15 -15.991 -16.747 -6.584 115 2HB ASN 15 2HB ASN 15 -16.306 -15.815 -5.123 116 1HD2 ASN 15 1HD2 ASN 15 -17.908 -14.300 -5.112 117 2HD2 ASN 15 2HD2 ASN 15 -19.025 -14.090 -6.413 118 H SER 16 H SER 16 -12.575 -15.373 -7.238 119 HA SER 16 HA SER 16 -11.615 -15.922 -4.509 120 1HB SER 16 1HB SER 16 -10.681 -17.401 -6.975 121 2HB SER 16 2HB SER 16 -10.291 -17.764 -5.294 122 HG SER 16 HG SER 16 -11.914 -19.149 -6.014 123 H GLY 17 H GLY 17 -9.507 -15.294 -4.030 124 1HA GLY 17 1HA GLY 17 -8.396 -13.327 -5.913 125 2HA GLY 17 2HA GLY 17 -8.092 -13.371 -4.183 126 H CYS 18 H CYS 18 -7.615 -15.379 -7.087 127 HA CYS 18 HA CYS 18 -5.673 -17.082 -6.178 128 1HB CYS 18 1HB CYS 18 -5.145 -17.528 -8.408 129 2HB CYS 18 2HB CYS 18 -6.788 -16.902 -8.512 130 H PHE 19 H PHE 19 -3.316 -17.084 -6.659 131 HA PHE 19 HA PHE 19 -1.897 -14.662 -7.031 132 1HB PHE 19 1HB PHE 19 -1.072 -14.222 -4.842 133 2HB PHE 19 2HB PHE 19 -2.820 -14.362 -4.689 134 HD1 PHE 19 HD1 PHE 19 0.163 -15.212 -3.196 135 HD2 PHE 19 HD2 PHE 19 -3.586 -16.922 -4.261 136 HE1 PHE 19 HE1 PHE 19 0.459 -16.931 -1.461 137 HE2 PHE 19 HE2 PHE 19 -3.297 -18.644 -2.527 138 HZ PHE 19 HZ PHE 19 -1.273 -18.649 -1.124 139 H ARG 20 H ARG 20 0.257 -15.025 -7.408 140 HA ARG 20 HA ARG 20 1.041 -17.794 -7.680 141 1HB ARG 20 1HB ARG 20 1.521 -15.667 -9.230 142 2HB ARG 20 2HB ARG 20 2.965 -15.596 -8.229 143 1HG ARG 20 1HG ARG 20 3.890 -17.369 -9.228 144 2HG ARG 20 2HG ARG 20 2.369 -18.263 -9.264 145 1HD ARG 20 1HD ARG 20 2.031 -17.729 -11.396 146 2HD ARG 20 2HD ARG 20 2.262 -16.015 -11.055 147 HE ARG 20 HE ARG 20 4.124 -17.762 -12.287 148 1HH1 ARG 20 1HH1 ARG 20 3.905 -15.066 -10.094 149 2HH1 ARG 20 2HH1 ARG 20 5.490 -14.470 -10.462 150 1HH2 ARG 20 1HH2 ARG 20 6.212 -16.987 -12.780 151 2HH2 ARG 20 2HH2 ARG 20 6.801 -15.563 -11.991 152 H HIS 21 H HIS 21 2.318 -18.905 -6.343 153 HA HIS 21 HA HIS 21 3.205 -17.693 -3.891 154 1HB HIS 21 1HB HIS 21 3.091 -20.449 -5.006 155 2HB HIS 21 2HB HIS 21 4.271 -20.142 -3.735 156 HD1 HIS 21 HD1 HIS 21 3.043 -18.785 -1.576 157 HD2 HIS 21 HD2 HIS 21 0.732 -21.254 -3.989 158 HE1 HIS 21 HE1 HIS 21 1.009 -19.347 -0.209 159 H LEU 22 H LEU 22 5.493 -18.320 -3.102 160 HA LEU 22 HA LEU 22 7.361 -16.956 -4.717 161 1HB LEU 22 1HB LEU 22 8.085 -18.822 -2.479 162 2HB LEU 22 2HB LEU 22 8.939 -17.378 -3.020 163 HG LEU 22 HG LEU 22 6.343 -17.493 -1.491 164 1HD1 LEU 22 1HD1 LEU 22 8.399 -17.885 -0.190 165 2HD1 LEU 22 2HD1 LEU 22 7.589 -16.382 0.253 166 3HD1 LEU 22 3HD1 LEU 22 9.031 -16.340 -0.761 167 1HD2 LEU 22 1HD2 LEU 22 7.722 -15.241 -2.903 168 2HD2 LEU 22 2HD2 LEU 22 6.753 -14.941 -1.460 169 3HD2 LEU 22 3HD2 LEU 22 6.010 -15.668 -2.885 170 H ASP 23 H ASP 23 6.409 -20.262 -4.545 171 HA ASP 23 HA ASP 23 8.782 -21.161 -5.997 172 1HB ASP 23 1HB ASP 23 6.435 -22.716 -4.887 173 2HB ASP 23 2HB ASP 23 7.832 -23.429 -5.688 174 H GLU 24 H GLU 24 6.680 -19.392 -7.153 175 HA GLU 24 HA GLU 24 5.552 -19.119 -9.109 176 1HB GLU 24 1HB GLU 24 6.983 -21.572 -10.114 177 2HB GLU 24 2HB GLU 24 6.420 -20.187 -11.040 178 1HG GLU 24 1HG GLU 24 8.089 -18.794 -9.798 179 2HG GLU 24 2HG GLU 24 8.730 -20.290 -9.121 180 H ARG 25 H ARG 25 4.006 -20.291 -7.282 181 HA ARG 25 HA ARG 25 2.493 -22.268 -8.847 182 1HB ARG 25 1HB ARG 25 3.575 -23.529 -7.113 183 2HB ARG 25 2HB ARG 25 3.102 -22.354 -5.892 184 1HG ARG 25 1HG ARG 25 0.856 -23.027 -5.956 185 2HG ARG 25 2HG ARG 25 1.078 -23.904 -7.471 186 1HD ARG 25 1HD ARG 25 2.466 -24.653 -4.908 187 2HD ARG 25 2HD ARG 25 0.909 -25.322 -5.392 188 HE ARG 25 HE ARG 25 3.494 -25.983 -6.470 189 1HH1 ARG 25 1HH1 ARG 25 0.061 -25.951 -7.051 190 2HH1 ARG 25 2HH1 ARG 25 0.118 -27.216 -8.233 191 1HH2 ARG 25 1HH2 ARG 25 3.581 -27.649 -8.024 192 2HH2 ARG 25 2HH2 ARG 25 2.120 -28.182 -8.785 193 H GLU 26 H GLU 26 0.706 -21.228 -9.451 194 HA GLU 26 HA GLU 26 -0.441 -19.116 -7.868 195 1HB GLU 26 1HB GLU 26 -1.534 -20.450 -10.351 196 2HB GLU 26 2HB GLU 26 -2.078 -18.927 -9.661 197 1HG GLU 26 1HG GLU 26 -0.428 -17.767 -10.614 198 2HG GLU 26 2HG GLU 26 0.780 -18.995 -10.242 199 H GLU 27 H GLU 27 -2.095 -19.231 -6.476 200 HA GLU 27 HA GLU 27 -3.604 -21.757 -6.328 201 1HB GLU 27 1HB GLU 27 -1.838 -21.132 -4.460 202 2HB GLU 27 2HB GLU 27 -3.150 -20.120 -3.872 203 1HG GLU 27 1HG GLU 27 -3.258 -22.192 -2.721 204 2HG GLU 27 2HG GLU 27 -4.607 -22.139 -3.854 205 H CYS 28 H CYS 28 -5.477 -21.152 -7.283 206 HA CYS 28 HA CYS 28 -6.692 -18.599 -6.873 207 1HB CYS 28 1HB CYS 28 -8.059 -21.066 -7.944 208 2HB CYS 28 2HB CYS 28 -8.449 -19.381 -8.276 209 H LYS 29 H LYS 29 -6.655 -18.684 -4.497 210 HA LYS 29 HA LYS 29 -8.722 -20.382 -3.307 211 1HB LYS 29 1HB LYS 29 -6.210 -19.592 -2.419 212 2HB LYS 29 2HB LYS 29 -7.318 -18.602 -1.479 213 1HG LYS 29 1HG LYS 29 -8.142 -20.367 -0.328 214 2HG LYS 29 2HG LYS 29 -7.953 -21.482 -1.684 215 1HD LYS 29 1HD LYS 29 -6.115 -22.269 -0.712 216 2HD LYS 29 2HD LYS 29 -5.358 -20.694 -0.957 217 1HE LYS 29 1HE LYS 29 -5.137 -20.898 1.311 218 2HE LYS 29 2HE LYS 29 -6.699 -20.086 1.226 219 1HZ LYS 29 1HZ LYS 29 -6.141 -22.487 2.457 220 2HZ LYS 29 2HZ LYS 29 -7.020 -22.899 1.073 221 3HZ LYS 29 3HZ LYS 29 -7.669 -21.810 2.193 222 H CYS 30 H CYS 30 -10.375 -19.501 -1.981 223 HA CYS 30 HA CYS 30 -11.627 -17.214 -3.035 224 1HB CYS 30 1HB CYS 30 -12.208 -18.386 -0.318 225 2HB CYS 30 2HB CYS 30 -13.319 -17.557 -1.402 226 H LEU 31 H LEU 31 -11.935 -15.149 -2.197 227 HA LEU 31 HA LEU 31 -9.748 -13.900 -1.024 228 1HB LEU 31 1HB LEU 31 -12.624 -12.999 -1.026 229 2HB LEU 31 2HB LEU 31 -11.231 -11.973 -0.690 230 HG LEU 31 HG LEU 31 -11.184 -13.360 -3.290 231 1HD1 LEU 31 1HD1 LEU 31 -13.338 -11.436 -2.527 232 2HD1 LEU 31 2HD1 LEU 31 -13.432 -12.891 -3.518 233 3HD1 LEU 31 3HD1 LEU 31 -12.686 -11.431 -4.166 234 1HD2 LEU 31 1HD2 LEU 31 -9.450 -11.855 -2.973 235 2HD2 LEU 31 2HD2 LEU 31 -10.485 -10.673 -2.171 236 3HD2 LEU 31 3HD2 LEU 31 -10.609 -10.917 -3.914 237 H LEU 32 H LEU 32 -10.220 -12.399 1.038 238 HA LEU 32 HA LEU 32 -10.322 -14.224 3.246 239 1HB LEU 32 1HB LEU 32 -8.839 -12.176 3.020 240 2HB LEU 32 2HB LEU 32 -10.270 -11.222 3.404 241 HG LEU 32 HG LEU 32 -10.323 -12.816 5.517 242 1HD1 LEU 32 1HD1 LEU 32 -7.563 -13.054 4.435 243 2HD1 LEU 32 2HD1 LEU 32 -8.553 -14.242 5.282 244 3HD1 LEU 32 3HD1 LEU 32 -7.780 -12.936 6.182 245 1HD2 LEU 32 1HD2 LEU 32 -9.554 -10.194 4.985 246 2HD2 LEU 32 2HD2 LEU 32 -8.257 -10.854 5.982 247 3HD2 LEU 32 3HD2 LEU 32 -9.923 -10.895 6.561 248 H ASN 33 H ASN 33 -12.686 -12.686 1.501 249 HA ASN 33 HA ASN 33 -14.511 -12.541 3.805 250 1HB ASN 33 1HB ASN 33 -14.955 -11.334 1.071 251 2HB ASN 33 2HB ASN 33 -15.867 -11.017 2.544 252 1HD2 ASN 33 1HD2 ASN 33 -12.839 -10.515 0.884 253 2HD2 ASN 33 2HD2 ASN 33 -12.317 -9.170 1.835 254 H TYR 34 H TYR 34 -13.735 -14.998 2.459 255 HA TYR 34 HA TYR 34 -16.412 -15.868 1.623 256 1HB TYR 34 1HB TYR 34 -13.812 -16.406 0.193 257 2HB TYR 34 2HB TYR 34 -15.244 -17.399 -0.048 258 HD1 TYR 34 HD1 TYR 34 -16.683 -16.846 -1.770 259 HD2 TYR 34 HD2 TYR 34 -14.214 -13.807 -0.106 260 HE1 TYR 34 HE1 TYR 34 -17.501 -15.262 -3.464 261 HE2 TYR 34 HE2 TYR 34 -15.026 -12.214 -1.794 262 HH TYR 34 HH TYR 34 -17.197 -12.013 -3.242 263 H LYS 35 H LYS 35 -16.969 -17.122 3.295 264 HA LYS 35 HA LYS 35 -15.141 -18.652 4.833 265 1HB LYS 35 1HB LYS 35 -18.138 -18.991 4.629 266 2HB LYS 35 2HB LYS 35 -17.105 -19.565 5.931 267 1HG LYS 35 1HG LYS 35 -17.235 -16.652 5.273 268 2HG LYS 35 2HG LYS 35 -18.479 -17.411 6.269 269 1HD LYS 35 1HD LYS 35 -15.524 -17.569 6.849 270 2HD LYS 35 2HD LYS 35 -16.606 -16.368 7.559 271 1HE LYS 35 1HE LYS 35 -18.011 -18.390 8.307 272 2HE LYS 35 2HE LYS 35 -16.570 -19.342 7.953 273 1HZ LYS 35 1HZ LYS 35 -15.469 -17.487 9.436 274 2HZ LYS 35 2HZ LYS 35 -16.188 -18.856 10.122 275 3HZ LYS 35 3HZ LYS 35 -17.032 -17.390 10.079 276 H GLN 36 H GLN 36 -13.977 -19.977 3.427 277 HA GLN 36 HA GLN 36 -14.925 -21.618 1.433 278 1HB GLN 36 1HB GLN 36 -12.492 -21.179 2.445 279 2HB GLN 36 2HB GLN 36 -12.810 -22.735 3.199 280 1HG GLN 36 1HG GLN 36 -13.539 -23.204 0.615 281 2HG GLN 36 2HG GLN 36 -12.196 -22.079 0.422 282 1HE2 GLN 36 1HE2 GLN 36 -12.739 -25.134 0.152 283 2HE2 GLN 36 2HE2 GLN 36 -11.321 -25.829 0.853 284 H GLU 37 H GLU 37 -16.704 -22.839 1.654 285 HA GLU 37 HA GLU 37 -17.382 -24.211 4.061 286 1HB GLU 37 1HB GLU 37 -19.084 -23.419 2.469 287 2HB GLU 37 2HB GLU 37 -18.483 -24.551 1.266 288 1HG GLU 37 1HG GLU 37 -19.006 -26.371 2.980 289 2HG GLU 37 2HG GLU 37 -19.938 -25.132 3.818 290 H GLY 38 H GLY 38 -16.703 -25.534 0.812 291 1HA GLY 38 1HA GLY 38 -15.117 -27.658 2.059 292 2HA GLY 38 2HA GLY 38 -16.514 -28.132 1.105 293 H ASP 39 H ASP 39 -16.538 -26.933 -1.131 294 HA ASP 39 HA ASP 39 -13.832 -26.776 -2.240 295 1HB ASP 39 1HB ASP 39 -15.128 -29.102 -2.487 296 2HB ASP 39 2HB ASP 39 -15.844 -28.257 -3.856 297 H LYS 40 H LYS 40 -16.051 -24.880 -1.644 298 HA LYS 40 HA LYS 40 -16.054 -23.559 -4.238 299 1HB LYS 40 1HB LYS 40 -18.536 -23.026 -3.906 300 2HB LYS 40 2HB LYS 40 -18.127 -24.641 -4.470 301 1HG LYS 40 1HG LYS 40 -18.621 -25.616 -2.412 302 2HG LYS 40 2HG LYS 40 -18.541 -24.073 -1.558 303 1HD LYS 40 1HD LYS 40 -20.601 -24.606 -3.680 304 2HD LYS 40 2HD LYS 40 -20.858 -25.069 -1.996 305 1HE LYS 40 1HE LYS 40 -21.754 -22.998 -1.872 306 2HE LYS 40 2HE LYS 40 -20.070 -22.531 -1.643 307 1HZ LYS 40 1HZ LYS 40 -21.728 -21.560 -3.553 308 2HZ LYS 40 2HZ LYS 40 -20.830 -22.712 -4.406 309 3HZ LYS 40 3HZ LYS 40 -20.039 -21.463 -3.583 310 H CYS 41 H CYS 41 -16.642 -21.291 -4.105 311 HA CYS 41 HA CYS 41 -15.898 -20.166 -1.510 312 1HB CYS 41 1HB CYS 41 -16.137 -18.802 -4.200 313 2HB CYS 41 2HB CYS 41 -15.469 -18.097 -2.732 314 H VAL 42 H VAL 42 -17.193 -18.841 -0.333 315 HA VAL 42 HA VAL 42 -19.804 -18.090 -1.444 316 HB VAL 42 HB VAL 42 -20.783 -18.632 0.861 317 1HG1 VAL 42 1HG1 VAL 42 -21.745 -20.255 -0.306 318 2HG1 VAL 42 2HG1 VAL 42 -20.429 -20.191 -1.480 319 3HG1 VAL 42 3HG1 VAL 42 -20.320 -21.271 -0.089 320 1HG2 VAL 42 1HG2 VAL 42 -18.273 -20.301 0.971 321 2HG2 VAL 42 2HG2 VAL 42 -18.720 -18.993 2.067 322 3HG2 VAL 42 3HG2 VAL 42 -19.657 -20.487 2.048 323 H GLU 43 H GLU 43 -19.900 -15.950 -1.330 324 HA GLU 43 HA GLU 43 -18.270 -14.380 0.368 325 1HB GLU 43 1HB GLU 43 -19.413 -13.771 -1.886 326 2HB GLU 43 2HB GLU 43 -20.796 -13.352 -0.885 327 1HG GLU 43 1HG GLU 43 -18.039 -12.192 -0.563 328 2HG GLU 43 2HG GLU 43 -19.356 -11.427 -1.450 329 H ASN 44 H ASN 44 -18.629 -15.052 2.495 330 HA ASN 44 HA ASN 44 -19.631 -15.134 4.541 331 1HB ASN 44 1HB ASN 44 -19.478 -12.736 4.393 332 2HB ASN 44 2HB ASN 44 -20.925 -12.655 3.392 333 1HD2 ASN 44 1HD2 ASN 44 -19.999 -14.123 6.492 334 2HD2 ASN 44 2HD2 ASN 44 -21.375 -13.550 7.365 335 HA PRO 45 HA PRO 45 -23.383 -17.281 2.888 336 1HB PRO 45 1HB PRO 45 -22.875 -19.624 4.160 337 2HB PRO 45 2HB PRO 45 -22.194 -19.222 2.579 338 1HG PRO 45 1HG PRO 45 -20.933 -19.035 5.287 339 2HG PRO 45 2HG PRO 45 -20.239 -19.634 3.769 340 1HD PRO 45 1HD PRO 45 -19.723 -17.155 4.728 341 2HD PRO 45 2HD PRO 45 -19.790 -17.512 2.990 342 H ASN 46 H ASN 46 -22.145 -16.386 5.928 343 HA ASN 46 HA ASN 46 -24.726 -17.001 7.210 344 1HB ASN 46 1HB ASN 46 -22.581 -18.146 8.090 345 2HB ASN 46 2HB ASN 46 -22.174 -16.561 8.741 346 1HD2 ASN 46 1HD2 ASN 46 -24.780 -18.951 8.675 347 2HD2 ASN 46 2HD2 ASN 46 -25.325 -18.658 10.288 348 HA PRO 47 HA PRO 47 -24.163 -12.377 6.948 349 1HB PRO 47 1HB PRO 47 -26.635 -11.882 5.940 350 2HB PRO 47 2HB PRO 47 -25.238 -12.250 4.921 351 1HG PRO 47 1HG PRO 47 -27.447 -14.054 5.832 352 2HG PRO 47 2HG PRO 47 -26.697 -13.924 4.231 353 1HD PRO 47 1HD PRO 47 -26.054 -15.883 5.986 354 2HD PRO 47 2HD PRO 47 -24.880 -15.206 4.839 355 H THR 48 H THR 48 -26.946 -14.332 7.952 356 HA THR 48 HA THR 48 -27.274 -12.534 10.263 357 HB THR 48 HB THR 48 -29.695 -12.987 10.226 358 HG1 THR 48 HG1 THR 48 -30.458 -13.902 8.127 359 1HG2 THR 48 1HG2 THR 48 -28.491 -11.807 7.727 360 2HG2 THR 48 2HG2 THR 48 -29.032 -10.959 9.176 361 3HG2 THR 48 3HG2 THR 48 -30.211 -11.715 8.105 362 1HN NH2 49 1HN THR 49 -26.593 -15.412 12.155 363 2HN NH2 49 2HN THR 49 -26.050 -13.851 11.637 Start of MODEL 18 1 1H ASN 1 1HT ASN 1 4.358 -2.060 1.747 2 HA ASN 1 HA ASN 1 7.049 -0.881 1.752 3 1HB ASN 1 1HB ASN 1 5.786 -3.140 3.273 4 2HB ASN 1 2HB ASN 1 7.536 -3.073 3.084 5 1HD2 ASN 1 1HD2 ASN 1 8.677 -1.321 3.986 6 2HD2 ASN 1 2HD2 ASN 1 8.006 -0.390 5.278 7 H ILE 2 H ILE 2 5.145 -3.570 0.530 8 HA ILE 2 HA ILE 2 7.219 -4.066 -1.472 9 HB ILE 2 HB ILE 2 7.603 -5.717 0.319 10 1HG1 ILE 2 1HG1 ILE 2 7.471 -7.747 -1.127 11 2HG1 ILE 2 2HG1 ILE 2 6.483 -6.833 -2.261 12 1HG2 ILE 2 1HG2 ILE 2 5.173 -7.250 -0.259 13 2HG2 ILE 2 2HG2 ILE 2 5.997 -6.960 1.272 14 3HG2 ILE 2 3HG2 ILE 2 4.902 -5.743 0.615 15 1HD1 ILE 2 1HD1 ILE 2 8.251 -5.531 -2.952 16 2HD1 ILE 2 2HD1 ILE 2 9.175 -5.818 -1.478 17 3HD1 ILE 2 3HD1 ILE 2 9.019 -7.095 -2.684 18 H SER 3 H SER 3 6.450 -4.654 -3.452 19 HA SER 3 HA SER 3 3.679 -4.198 -3.970 20 1HB SER 3 1HB SER 3 4.230 -4.406 -6.272 21 2HB SER 3 2HB SER 3 5.632 -3.646 -5.518 22 HG SER 3 HG SER 3 6.366 -5.292 -6.822 23 H GLN 4 H GLN 4 2.141 -5.647 -4.787 24 HA GLN 4 HA GLN 4 2.480 -8.371 -3.828 25 1HB GLN 4 1HB GLN 4 0.109 -6.802 -4.823 26 2HB GLN 4 2HB GLN 4 0.020 -8.530 -4.513 27 1HG GLN 4 1HG GLN 4 0.647 -6.363 -2.523 28 2HG GLN 4 2HG GLN 4 -0.818 -7.339 -2.612 29 1HE2 GLN 4 1HE2 GLN 4 -0.388 -9.754 -2.503 30 2HE2 GLN 4 2HE2 GLN 4 0.752 -10.273 -1.314 31 H HIS 5 H HIS 5 1.061 -9.962 -5.363 32 HA HIS 5 HA HIS 5 1.899 -9.606 -8.143 33 1HB HIS 5 1HB HIS 5 2.635 -12.074 -8.095 34 2HB HIS 5 2HB HIS 5 3.727 -10.878 -7.403 35 HD1 HIS 5 HD1 HIS 5 4.844 -12.543 -5.814 36 HD2 HIS 5 HD2 HIS 5 0.734 -12.245 -5.290 37 HE1 HIS 5 HE1 HIS 5 4.353 -13.742 -3.659 38 H GLN 6 H GLN 6 0.909 -11.269 -9.585 39 HA GLN 6 HA GLN 6 -1.508 -12.513 -8.528 40 1HB GLN 6 1HB GLN 6 -1.448 -10.314 -10.564 41 2HB GLN 6 2HB GLN 6 -2.711 -11.535 -10.627 42 1HG GLN 6 1HG GLN 6 -2.113 -9.748 -8.280 43 2HG GLN 6 2HG GLN 6 -3.432 -9.538 -9.431 44 1HE2 GLN 6 1HE2 GLN 6 -2.660 -10.676 -6.456 45 2HE2 GLN 6 2HE2 GLN 6 -3.956 -11.795 -6.224 46 H CYS 7 H CYS 7 -2.694 -13.542 -10.609 47 HA CYS 7 HA CYS 7 -0.676 -15.298 -11.761 48 1HB CYS 7 1HB CYS 7 -3.645 -15.549 -12.180 49 2HB CYS 7 2HB CYS 7 -2.419 -16.812 -12.214 50 H VAL 8 H VAL 8 -0.180 -15.436 -13.890 51 HA VAL 8 HA VAL 8 -1.524 -13.531 -15.696 52 HB VAL 8 HB VAL 8 0.751 -12.817 -15.295 53 1HG1 VAL 8 1HG1 VAL 8 2.327 -14.304 -14.817 54 2HG1 VAL 8 2HG1 VAL 8 1.285 -15.630 -15.338 55 3HG1 VAL 8 3HG1 VAL 8 2.323 -14.810 -16.506 56 1HG2 VAL 8 1HG2 VAL 8 1.241 -13.938 -17.941 57 2HG2 VAL 8 2HG2 VAL 8 -0.367 -13.235 -17.771 58 3HG2 VAL 8 3HG2 VAL 8 1.063 -12.257 -17.439 59 H LYS 9 H LYS 9 -0.447 -16.778 -15.191 60 HA LYS 9 HA LYS 9 -1.389 -17.508 -17.887 61 1HB LYS 9 1HB LYS 9 0.906 -18.426 -16.266 62 2HB LYS 9 2HB LYS 9 0.017 -19.690 -17.106 63 1HG LYS 9 1HG LYS 9 1.910 -18.875 -18.416 64 2HG LYS 9 2HG LYS 9 0.372 -18.569 -19.226 65 1HD LYS 9 1HD LYS 9 1.137 -16.366 -17.508 66 2HD LYS 9 2HD LYS 9 2.381 -16.718 -18.710 67 1HE LYS 9 1HE LYS 9 -0.386 -16.703 -19.715 68 2HE LYS 9 2HE LYS 9 0.223 -15.145 -19.158 69 1HZ LYS 9 1HZ LYS 9 0.596 -15.949 -21.607 70 2HZ LYS 9 2HZ LYS 9 1.923 -16.747 -20.926 71 3HZ LYS 9 3HZ LYS 9 1.787 -15.066 -20.793 72 H LYS 10 H LYS 10 -2.786 -17.209 -15.193 73 HA LYS 10 HA LYS 10 -4.061 -19.863 -15.219 74 1HB LYS 10 1HB LYS 10 -2.574 -19.024 -13.137 75 2HB LYS 10 2HB LYS 10 -4.121 -18.316 -12.690 76 1HG LYS 10 1HG LYS 10 -3.942 -20.450 -11.645 77 2HG LYS 10 2HG LYS 10 -5.151 -20.566 -12.925 78 1HD LYS 10 1HD LYS 10 -3.720 -22.521 -12.960 79 2HD LYS 10 2HD LYS 10 -3.446 -21.551 -14.410 80 1HE LYS 10 1HE LYS 10 -1.383 -20.772 -13.638 81 2HE LYS 10 2HE LYS 10 -1.738 -21.212 -11.968 82 1HZ LYS 10 1HZ LYS 10 -0.282 -22.851 -12.645 83 2HZ LYS 10 2HZ LYS 10 -0.927 -22.949 -14.206 84 3HZ LYS 10 3HZ LYS 10 -1.780 -23.596 -12.896 85 H GLN 11 H GLN 11 -6.303 -19.906 -14.826 86 HA GLN 11 HA GLN 11 -7.650 -17.434 -15.567 87 1HB GLN 11 1HB GLN 11 -8.521 -20.311 -15.412 88 2HB GLN 11 2HB GLN 11 -9.678 -19.007 -15.642 89 1HG GLN 11 1HG GLN 11 -8.608 -18.360 -17.699 90 2HG GLN 11 2HG GLN 11 -7.336 -19.554 -17.450 91 1HE2 GLN 11 1HE2 GLN 11 -8.319 -19.916 -19.736 92 2HE2 GLN 11 2HE2 GLN 11 -9.519 -21.156 -19.819 93 H CYS 12 H CYS 12 -8.416 -20.023 -13.233 94 HA CYS 12 HA CYS 12 -9.256 -19.965 -11.120 95 1HB CYS 12 1HB CYS 12 -8.326 -17.093 -11.011 96 2HB CYS 12 2HB CYS 12 -8.609 -18.178 -9.654 97 HA PRO 13 HA PRO 13 -13.325 -18.350 -11.423 98 1HB PRO 13 1HB PRO 13 -14.050 -18.241 -8.809 99 2HB PRO 13 2HB PRO 13 -13.887 -19.760 -9.698 100 1HG PRO 13 1HG PRO 13 -11.958 -18.445 -7.823 101 2HG PRO 13 2HG PRO 13 -12.412 -20.155 -7.944 102 1HD PRO 13 1HD PRO 13 -10.121 -19.177 -9.005 103 2HD PRO 13 2HD PRO 13 -11.009 -20.530 -9.734 104 H GLN 14 H GLN 14 -14.755 -16.567 -10.689 105 HA GLN 14 HA GLN 14 -13.202 -14.118 -10.411 106 1HB GLN 14 1HB GLN 14 -15.215 -12.960 -11.078 107 2HB GLN 14 2HB GLN 14 -14.933 -14.303 -12.177 108 1HG GLN 14 1HG GLN 14 -16.560 -15.622 -10.748 109 2HG GLN 14 2HG GLN 14 -16.982 -14.084 -9.998 110 1HE2 GLN 14 1HE2 GLN 14 -17.830 -16.209 -12.339 111 2HE2 GLN 14 2HE2 GLN 14 -18.711 -15.157 -13.388 112 H ASN 15 H ASN 15 -14.536 -16.259 -8.338 113 HA ASN 15 HA ASN 15 -15.354 -14.192 -6.408 114 1HB ASN 15 1HB ASN 15 -16.108 -17.089 -6.711 115 2HB ASN 15 2HB ASN 15 -16.335 -16.247 -5.181 116 1HD2 ASN 15 1HD2 ASN 15 -18.503 -16.153 -5.108 117 2HD2 ASN 15 2HD2 ASN 15 -19.486 -15.337 -6.271 118 H SER 16 H SER 16 -12.603 -15.256 -7.146 119 HA SER 16 HA SER 16 -11.745 -15.768 -4.386 120 1HB SER 16 1HB SER 16 -10.689 -17.251 -6.806 121 2HB SER 16 2HB SER 16 -10.136 -17.449 -5.143 122 HG SER 16 HG SER 16 -11.629 -19.062 -5.670 123 H GLY 17 H GLY 17 -9.190 -15.662 -4.372 124 1HA GLY 17 1HA GLY 17 -8.370 -13.373 -6.048 125 2HA GLY 17 2HA GLY 17 -8.065 -13.394 -4.318 126 H CYS 18 H CYS 18 -7.508 -15.432 -7.189 127 HA CYS 18 HA CYS 18 -5.455 -16.992 -6.244 128 1HB CYS 18 1HB CYS 18 -5.031 -17.569 -8.439 129 2HB CYS 18 2HB CYS 18 -6.651 -16.894 -8.586 130 H PHE 19 H PHE 19 -3.108 -16.871 -6.881 131 HA PHE 19 HA PHE 19 -1.858 -14.381 -7.356 132 1HB PHE 19 1HB PHE 19 -0.972 -13.834 -5.212 133 2HB PHE 19 2HB PHE 19 -2.704 -14.059 -4.992 134 HD1 PHE 19 HD1 PHE 19 -3.323 -16.635 -4.458 135 HD2 PHE 19 HD2 PHE 19 0.373 -14.712 -3.588 136 HE1 PHE 19 HE1 PHE 19 -2.885 -18.286 -2.687 137 HE2 PHE 19 HE2 PHE 19 0.817 -16.360 -1.817 138 HZ PHE 19 HZ PHE 19 -0.812 -18.151 -1.364 139 H ARG 20 H ARG 20 0.210 -14.691 -7.982 140 HA ARG 20 HA ARG 20 1.200 -17.417 -7.992 141 1HB ARG 20 1HB ARG 20 1.246 -15.757 -9.970 142 2HB ARG 20 2HB ARG 20 2.628 -15.039 -9.152 143 1HG ARG 20 1HG ARG 20 4.002 -16.715 -9.727 144 2HG ARG 20 2HG ARG 20 2.766 -17.951 -9.479 145 1HD ARG 20 1HD ARG 20 2.417 -18.068 -11.667 146 2HD ARG 20 2HD ARG 20 2.014 -16.352 -11.710 147 HE ARG 20 HE ARG 20 4.734 -16.392 -11.678 148 1HH1 ARG 20 1HH1 ARG 20 2.296 -17.859 -13.684 149 2HH1 ARG 20 2HH1 ARG 20 3.284 -17.864 -15.107 150 1HH2 ARG 20 1HH2 ARG 20 6.045 -16.393 -13.545 151 2HH2 ARG 20 2HH2 ARG 20 5.417 -17.031 -15.027 152 H HIS 21 H HIS 21 2.249 -18.097 -6.240 153 HA HIS 21 HA HIS 21 3.417 -16.530 -4.270 154 1HB HIS 21 1HB HIS 21 3.555 -19.385 -5.052 155 2HB HIS 21 2HB HIS 21 4.858 -18.798 -4.023 156 HD1 HIS 21 HD1 HIS 21 3.896 -17.459 -1.786 157 HD2 HIS 21 HD2 HIS 21 1.390 -20.194 -3.655 158 HE1 HIS 21 HE1 HIS 21 2.145 -18.042 -0.078 159 H LEU 22 H LEU 22 5.857 -16.822 -3.671 160 HA LEU 22 HA LEU 22 7.346 -15.410 -5.634 161 1HB LEU 22 1HB LEU 22 7.755 -16.365 -2.890 162 2HB LEU 22 2HB LEU 22 9.223 -16.274 -3.861 163 HG LEU 22 HG LEU 22 8.750 -14.259 -2.456 164 1HD1 LEU 22 1HD1 LEU 22 9.903 -14.441 -4.881 165 2HD1 LEU 22 2HD1 LEU 22 9.819 -12.950 -3.943 166 3HD1 LEU 22 3HD1 LEU 22 8.643 -13.254 -5.222 167 1HD2 LEU 22 1HD2 LEU 22 6.320 -14.229 -2.709 168 2HD2 LEU 22 2HD2 LEU 22 6.498 -13.871 -4.427 169 3HD2 LEU 22 3HD2 LEU 22 7.035 -12.700 -3.221 170 H ASP 23 H ASP 23 6.888 -18.746 -4.957 171 HA ASP 23 HA ASP 23 9.263 -19.529 -6.471 172 1HB ASP 23 1HB ASP 23 7.231 -21.177 -4.954 173 2HB ASP 23 2HB ASP 23 8.618 -21.844 -5.811 174 H GLU 24 H GLU 24 6.853 -18.220 -7.655 175 HA GLU 24 HA GLU 24 5.615 -18.351 -9.559 176 1HB GLU 24 1HB GLU 24 7.226 -20.790 -10.291 177 2HB GLU 24 2HB GLU 24 6.457 -19.634 -11.370 178 1HG GLU 24 1HG GLU 24 8.044 -17.924 -10.715 179 2HG GLU 24 2HG GLU 24 8.789 -19.032 -9.565 180 H ARG 25 H ARG 25 4.548 -19.570 -7.283 181 HA ARG 25 HA ARG 25 3.106 -21.864 -8.443 182 1HB ARG 25 1HB ARG 25 4.368 -22.648 -6.573 183 2HB ARG 25 2HB ARG 25 3.861 -21.288 -5.580 184 1HG ARG 25 1HG ARG 25 1.791 -22.178 -5.170 185 2HG ARG 25 2HG ARG 25 1.788 -23.133 -6.654 186 1HD ARG 25 1HD ARG 25 2.411 -24.894 -5.451 187 2HD ARG 25 2HD ARG 25 3.946 -24.081 -5.144 188 HE ARG 25 HE ARG 25 1.747 -24.398 -3.309 189 1HH1 ARG 25 1HH1 ARG 25 4.605 -22.574 -4.098 190 2HH1 ARG 25 2HH1 ARG 25 4.858 -22.020 -2.476 191 1HH2 ARG 25 1HH2 ARG 25 2.069 -23.676 -1.170 192 2HH2 ARG 25 2HH2 ARG 25 3.415 -22.648 -0.811 193 H GLU 26 H GLU 26 1.255 -21.035 -9.215 194 HA GLU 26 HA GLU 26 -0.124 -18.888 -7.869 195 1HB GLU 26 1HB GLU 26 -1.021 -20.554 -10.226 196 2HB GLU 26 2HB GLU 26 -1.728 -19.034 -9.695 197 1HG GLU 26 1HG GLU 26 -0.204 -17.822 -10.769 198 2HG GLU 26 2HG GLU 26 1.126 -18.832 -10.207 199 H GLU 27 H GLU 27 -1.842 -19.026 -6.547 200 HA GLU 27 HA GLU 27 -3.141 -21.643 -6.217 201 1HB GLU 27 1HB GLU 27 -1.374 -20.810 -4.400 202 2HB GLU 27 2HB GLU 27 -2.777 -19.932 -3.809 203 1HG GLU 27 1HG GLU 27 -2.613 -22.010 -2.640 204 2HG GLU 27 2HG GLU 27 -4.019 -22.065 -3.701 205 H CYS 28 H CYS 28 -5.016 -21.092 -7.243 206 HA CYS 28 HA CYS 28 -6.362 -18.615 -6.848 207 1HB CYS 28 1HB CYS 28 -7.603 -21.172 -7.864 208 2HB CYS 28 2HB CYS 28 -8.099 -19.519 -8.212 209 H LYS 29 H LYS 29 -6.422 -18.524 -4.522 210 HA LYS 29 HA LYS 29 -8.372 -20.328 -3.268 211 1HB LYS 29 1HB LYS 29 -5.890 -19.509 -2.401 212 2HB LYS 29 2HB LYS 29 -6.972 -18.438 -1.521 213 1HG LYS 29 1HG LYS 29 -8.237 -20.511 -0.816 214 2HG LYS 29 2HG LYS 29 -6.882 -21.439 -1.462 215 1HD LYS 29 1HD LYS 29 -6.552 -21.142 0.899 216 2HD LYS 29 2HD LYS 29 -5.367 -20.156 0.039 217 1HE LYS 29 1HE LYS 29 -6.369 -18.184 0.644 218 2HE LYS 29 2HE LYS 29 -7.964 -18.918 0.802 219 1HZ LYS 29 1HZ LYS 29 -7.625 -19.099 2.966 220 2HZ LYS 29 2HZ LYS 29 -6.094 -18.397 2.814 221 3HZ LYS 29 3HZ LYS 29 -6.268 -20.076 2.704 222 H CYS 30 H CYS 30 -10.165 -19.547 -2.187 223 HA CYS 30 HA CYS 30 -11.458 -17.317 -3.208 224 1HB CYS 30 1HB CYS 30 -11.972 -18.448 -0.456 225 2HB CYS 30 2HB CYS 30 -13.122 -17.656 -1.529 226 H LEU 31 H LEU 31 -11.888 -15.248 -2.402 227 HA LEU 31 HA LEU 31 -9.747 -13.848 -1.317 228 1HB LEU 31 1HB LEU 31 -12.670 -13.110 -1.259 229 2HB LEU 31 2HB LEU 31 -11.327 -12.000 -0.991 230 HG LEU 31 HG LEU 31 -11.312 -13.463 -3.558 231 1HD1 LEU 31 1HD1 LEU 31 -13.579 -13.047 -3.704 232 2HD1 LEU 31 2HD1 LEU 31 -12.887 -11.596 -4.428 233 3HD1 LEU 31 3HD1 LEU 31 -13.474 -11.557 -2.766 234 1HD2 LEU 31 1HD2 LEU 31 -11.092 -10.528 -3.375 235 2HD2 LEU 31 2HD2 LEU 31 -10.095 -11.692 -4.248 236 3HD2 LEU 31 3HD2 LEU 31 -9.859 -11.451 -2.516 237 H LEU 32 H LEU 32 -10.237 -12.330 0.722 238 HA LEU 32 HA LEU 32 -10.191 -14.104 2.973 239 1HB LEU 32 1HB LEU 32 -10.169 -11.091 2.882 240 2HB LEU 32 2HB LEU 32 -9.795 -12.085 4.289 241 HG LEU 32 HG LEU 32 -8.180 -12.239 1.758 242 1HD1 LEU 32 1HD1 LEU 32 -7.302 -10.608 4.094 243 2HD1 LEU 32 2HD1 LEU 32 -8.375 -9.893 2.892 244 3HD1 LEU 32 3HD1 LEU 32 -6.801 -10.521 2.405 245 1HD2 LEU 32 1HD2 LEU 32 -6.641 -12.678 4.049 246 2HD2 LEU 32 2HD2 LEU 32 -7.196 -13.881 2.885 247 3HD2 LEU 32 3HD2 LEU 32 -8.155 -13.539 4.326 248 H ASN 33 H ASN 33 -12.675 -12.748 1.257 249 HA ASN 33 HA ASN 33 -14.442 -12.627 3.609 250 1HB ASN 33 1HB ASN 33 -15.007 -11.499 0.863 251 2HB ASN 33 2HB ASN 33 -15.907 -11.202 2.347 252 1HD2 ASN 33 1HD2 ASN 33 -12.958 -10.557 0.604 253 2HD2 ASN 33 2HD2 ASN 33 -12.482 -9.177 1.528 254 H TYR 34 H TYR 34 -13.585 -15.073 2.292 255 HA TYR 34 HA TYR 34 -16.237 -16.087 1.548 256 1HB TYR 34 1HB TYR 34 -13.653 -16.530 0.057 257 2HB TYR 34 2HB TYR 34 -15.042 -17.596 -0.124 258 HD1 TYR 34 HD1 TYR 34 -14.193 -13.959 -0.278 259 HD2 TYR 34 HD2 TYR 34 -16.549 -17.150 -1.817 260 HE1 TYR 34 HE1 TYR 34 -15.126 -12.443 -1.976 261 HE2 TYR 34 HE2 TYR 34 -17.488 -15.643 -3.520 262 HH TYR 34 HH TYR 34 -16.252 -12.415 -4.000 263 H LYS 35 H LYS 35 -16.441 -16.989 3.605 264 HA LYS 35 HA LYS 35 -14.437 -18.769 4.654 265 1HB LYS 35 1HB LYS 35 -16.188 -19.230 6.403 266 2HB LYS 35 2HB LYS 35 -15.713 -17.544 6.253 267 1HG LYS 35 1HG LYS 35 -17.782 -16.909 5.751 268 2HG LYS 35 2HG LYS 35 -17.968 -18.192 4.552 269 1HD LYS 35 1HD LYS 35 -19.610 -18.631 6.178 270 2HD LYS 35 2HD LYS 35 -18.304 -19.766 6.529 271 1HE LYS 35 1HE LYS 35 -17.457 -18.117 8.218 272 2HE LYS 35 2HE LYS 35 -18.928 -17.184 7.952 273 1HZ LYS 35 1HZ LYS 35 -20.147 -18.620 9.136 274 2HZ LYS 35 2HZ LYS 35 -18.669 -19.115 9.793 275 3HZ LYS 35 3HZ LYS 35 -19.361 -19.984 8.517 276 H GLN 36 H GLN 36 -14.156 -20.491 3.293 277 HA GLN 36 HA GLN 36 -16.037 -21.898 1.866 278 1HB GLN 36 1HB GLN 36 -13.479 -22.158 1.907 279 2HB GLN 36 2HB GLN 36 -13.741 -23.279 3.237 280 1HG GLN 36 1HG GLN 36 -15.266 -24.567 1.713 281 2HG GLN 36 2HG GLN 36 -14.700 -23.533 0.402 282 1HE2 GLN 36 1HE2 GLN 36 -14.405 -26.326 0.477 283 2HE2 GLN 36 2HE2 GLN 36 -12.717 -26.688 0.550 284 H GLU 37 H GLU 37 -17.642 -23.266 2.325 285 HA GLU 37 HA GLU 37 -17.847 -24.267 5.089 286 1HB GLU 37 1HB GLU 37 -19.560 -22.543 4.292 287 2HB GLU 37 2HB GLU 37 -20.184 -23.809 3.244 288 1HG GLU 37 1HG GLU 37 -21.554 -24.036 5.053 289 2HG GLU 37 2HG GLU 37 -20.283 -25.188 5.459 290 H GLY 38 H GLY 38 -18.074 -25.018 1.691 291 1HA GLY 38 1HA GLY 38 -18.259 -27.873 2.409 292 2HA GLY 38 2HA GLY 38 -19.255 -27.211 1.121 293 H ASP 39 H ASP 39 -18.478 -27.296 -0.884 294 HA ASP 39 HA ASP 39 -15.572 -27.636 -1.234 295 1HB ASP 39 1HB ASP 39 -17.046 -29.726 -1.585 296 2HB ASP 39 2HB ASP 39 -17.593 -28.924 -3.055 297 H LYS 40 H LYS 40 -16.646 -25.142 -1.314 298 HA LYS 40 HA LYS 40 -15.864 -24.201 -3.843 299 1HB LYS 40 1HB LYS 40 -18.079 -23.283 -4.585 300 2HB LYS 40 2HB LYS 40 -17.934 -25.032 -4.704 301 1HG LYS 40 1HG LYS 40 -19.418 -25.411 -2.992 302 2HG LYS 40 2HG LYS 40 -19.135 -23.833 -2.254 303 1HD LYS 40 1HD LYS 40 -20.379 -24.005 -4.967 304 2HD LYS 40 2HD LYS 40 -21.363 -24.295 -3.530 305 1HE LYS 40 1HE LYS 40 -20.544 -22.094 -2.646 306 2HE LYS 40 2HE LYS 40 -19.804 -21.810 -4.221 307 1HZ LYS 40 1HZ LYS 40 -21.939 -20.753 -4.136 308 2HZ LYS 40 2HZ LYS 40 -22.697 -22.191 -3.672 309 3HZ LYS 40 3HZ LYS 40 -22.026 -22.050 -5.218 310 H CYS 41 H CYS 41 -16.214 -21.831 -4.071 311 HA CYS 41 HA CYS 41 -15.715 -20.540 -1.569 312 1HB CYS 41 1HB CYS 41 -16.088 -19.416 -4.353 313 2HB CYS 41 2HB CYS 41 -15.579 -18.472 -2.957 314 H VAL 42 H VAL 42 -16.963 -19.044 -0.476 315 HA VAL 42 HA VAL 42 -19.692 -18.572 -1.430 316 HB VAL 42 HB VAL 42 -20.455 -18.931 1.001 317 1HG1 VAL 42 1HG1 VAL 42 -20.228 -21.591 0.438 318 2HG1 VAL 42 2HG1 VAL 42 -21.453 -20.514 -0.236 319 3HG1 VAL 42 3HG1 VAL 42 -19.984 -20.862 -1.149 320 1HG2 VAL 42 1HG2 VAL 42 -17.892 -20.522 1.019 321 2HG2 VAL 42 2HG2 VAL 42 -18.266 -19.121 2.024 322 3HG2 VAL 42 3HG2 VAL 42 -19.162 -20.625 2.239 323 H GLU 43 H GLU 43 -19.797 -16.428 -1.569 324 HA GLU 43 HA GLU 43 -18.191 -14.658 -0.041 325 1HB GLU 43 1HB GLU 43 -19.698 -12.889 -1.023 326 2HB GLU 43 2HB GLU 43 -18.888 -13.924 -2.191 327 1HG GLU 43 1HG GLU 43 -20.832 -14.456 -3.088 328 2HG GLU 43 2HG GLU 43 -21.378 -15.116 -1.548 329 H ASN 44 H ASN 44 -18.616 -15.249 2.135 330 HA ASN 44 HA ASN 44 -19.664 -15.160 4.157 331 1HB ASN 44 1HB ASN 44 -19.389 -12.785 3.862 332 2HB ASN 44 2HB ASN 44 -20.816 -12.698 2.834 333 1HD2 ASN 44 1HD2 ASN 44 -20.201 -14.270 5.951 334 2HD2 ASN 44 2HD2 ASN 44 -21.485 -13.480 6.795 335 HA PRO 45 HA PRO 45 -23.499 -17.186 2.502 336 1HB PRO 45 1HB PRO 45 -23.100 -19.532 3.807 337 2HB PRO 45 2HB PRO 45 -22.404 -19.186 2.220 338 1HG PRO 45 1HG PRO 45 -21.131 -19.020 4.924 339 2HG PRO 45 2HG PRO 45 -20.469 -19.673 3.414 340 1HD PRO 45 1HD PRO 45 -19.835 -17.207 4.338 341 2HD PRO 45 2HD PRO 45 -19.921 -17.585 2.605 342 H ASN 46 H ASN 46 -22.137 -16.567 5.620 343 HA ASN 46 HA ASN 46 -24.803 -16.850 6.844 344 1HB ASN 46 1HB ASN 46 -22.061 -17.177 8.073 345 2HB ASN 46 2HB ASN 46 -23.541 -17.068 9.021 346 1HD2 ASN 46 1HD2 ASN 46 -24.853 -18.810 9.189 347 2HD2 ASN 46 2HD2 ASN 46 -24.498 -20.355 8.500 348 HA PRO 47 HA PRO 47 -23.596 -12.346 6.828 349 1HB PRO 47 1HB PRO 47 -25.971 -11.459 5.856 350 2HB PRO 47 2HB PRO 47 -24.636 -11.966 4.814 351 1HG PRO 47 1HG PRO 47 -27.079 -13.487 5.640 352 2HG PRO 47 2HG PRO 47 -26.312 -13.382 4.044 353 1HD PRO 47 1HD PRO 47 -25.957 -15.499 5.695 354 2HD PRO 47 2HD PRO 47 -24.696 -14.936 4.579 355 H THR 48 H THR 48 -26.141 -14.284 8.122 356 HA THR 48 HA THR 48 -27.588 -14.026 9.874 357 HB THR 48 HB THR 48 -26.453 -12.672 11.829 358 HG1 THR 48 HG1 THR 48 -24.622 -11.821 11.208 359 1HG2 THR 48 1HG2 THR 48 -25.044 -15.168 10.928 360 2HG2 THR 48 2HG2 THR 48 -26.718 -15.205 11.483 361 3HG2 THR 48 3HG2 THR 48 -25.441 -14.653 12.566 362 1HN NH2 49 1HN THR 49 -29.107 -10.942 8.756 363 2HN NH2 49 2HN THR 49 -28.760 -12.550 8.212 Start of MODEL 19 1 1H ASN 1 1HT ASN 1 0.733 2.015 -4.297 2 HA ASN 1 HA ASN 1 1.844 0.505 -6.213 3 1HB ASN 1 1HB ASN 1 3.633 -0.131 -4.472 4 2HB ASN 1 2HB ASN 1 3.340 1.582 -4.757 5 1HD2 ASN 1 1HD2 ASN 1 3.284 2.739 -2.986 6 2HD2 ASN 1 2HD2 ASN 1 2.734 2.213 -1.435 7 H ILE 2 H ILE 2 2.510 -1.655 -6.502 8 HA ILE 2 HA ILE 2 0.613 -3.611 -5.951 9 HB ILE 2 HB ILE 2 2.324 -3.752 -7.753 10 1HG1 ILE 2 1HG1 ILE 2 2.821 -6.244 -7.352 11 2HG1 ILE 2 2HG1 ILE 2 1.958 -6.043 -5.831 12 1HG2 ILE 2 1HG2 ILE 2 4.551 -4.561 -7.252 13 2HG2 ILE 2 2HG2 ILE 2 4.251 -3.050 -6.395 14 3HG2 ILE 2 3HG2 ILE 2 4.180 -4.584 -5.528 15 1HD1 ILE 2 1HD1 ILE 2 0.367 -4.943 -7.905 16 2HD1 ILE 2 2HD1 ILE 2 0.904 -6.549 -8.398 17 3HD1 ILE 2 3HD1 ILE 2 0.039 -6.338 -6.876 18 H SER 3 H SER 3 0.300 -5.058 -4.352 19 HA SER 3 HA SER 3 1.756 -4.669 -1.885 20 1HB SER 3 1HB SER 3 -0.783 -5.034 -2.121 21 2HB SER 3 2HB SER 3 -0.387 -6.738 -2.342 22 HG SER 3 HG SER 3 0.702 -6.630 -0.302 23 H GLN 4 H GLN 4 0.850 -7.610 -3.694 24 HA GLN 4 HA GLN 4 3.549 -8.653 -3.298 25 1HB GLN 4 1HB GLN 4 2.735 -10.783 -2.437 26 2HB GLN 4 2HB GLN 4 2.249 -9.466 -1.378 27 1HG GLN 4 1HG GLN 4 0.373 -10.394 -3.495 28 2HG GLN 4 2HG GLN 4 0.567 -11.353 -2.029 29 1HE2 GLN 4 1HE2 GLN 4 -1.665 -9.679 -3.146 30 2HE2 GLN 4 2HE2 GLN 4 -2.113 -8.635 -1.845 31 H HIS 5 H HIS 5 3.704 -10.888 -4.439 32 HA HIS 5 HA HIS 5 3.333 -10.542 -7.152 33 1HB HIS 5 1HB HIS 5 3.582 -13.089 -7.260 34 2HB HIS 5 2HB HIS 5 4.886 -12.188 -6.491 35 HD1 HIS 5 HD1 HIS 5 5.707 -13.878 -4.837 36 HD2 HIS 5 HD2 HIS 5 1.589 -13.352 -4.661 37 HE1 HIS 5 HE1 HIS 5 4.949 -15.176 -2.821 38 H GLN 6 H GLN 6 2.008 -11.954 -8.623 39 HA GLN 6 HA GLN 6 -0.560 -12.798 -7.574 40 1HB GLN 6 1HB GLN 6 -1.776 -11.390 -9.286 41 2HB GLN 6 2HB GLN 6 -1.097 -10.513 -7.921 42 1HG GLN 6 1HG GLN 6 0.671 -9.655 -9.224 43 2HG GLN 6 2HG GLN 6 0.329 -10.765 -10.550 44 1HE2 GLN 6 1HE2 GLN 6 -1.018 -10.139 -12.114 45 2HE2 GLN 6 2HE2 GLN 6 -1.940 -8.679 -12.105 46 H CYS 7 H CYS 7 -2.001 -13.298 -9.714 47 HA CYS 7 HA CYS 7 -0.409 -15.266 -11.148 48 1HB CYS 7 1HB CYS 7 -3.376 -14.810 -11.433 49 2HB CYS 7 2HB CYS 7 -2.463 -16.276 -11.774 50 H VAL 8 H VAL 8 0.319 -15.000 -13.150 51 HA VAL 8 HA VAL 8 -0.899 -12.895 -14.818 52 HB VAL 8 HB VAL 8 1.348 -12.590 -15.859 53 1HG1 VAL 8 1HG1 VAL 8 2.201 -11.160 -14.144 54 2HG1 VAL 8 2HG1 VAL 8 0.439 -11.120 -14.053 55 3HG1 VAL 8 3HG1 VAL 8 1.362 -12.073 -12.891 56 1HG2 VAL 8 1HG2 VAL 8 2.159 -14.862 -15.027 57 2HG2 VAL 8 2HG2 VAL 8 3.299 -13.520 -14.940 58 3HG2 VAL 8 3HG2 VAL 8 2.459 -14.059 -13.486 59 H LYS 9 H LYS 9 -0.337 -16.153 -14.493 60 HA LYS 9 HA LYS 9 -0.935 -16.601 -17.317 61 1HB LYS 9 1HB LYS 9 1.372 -17.860 -15.831 62 2HB LYS 9 2HB LYS 9 0.720 -18.516 -17.327 63 1HG LYS 9 1HG LYS 9 1.554 -15.660 -17.254 64 2HG LYS 9 2HG LYS 9 2.791 -16.916 -17.343 65 1HD LYS 9 1HD LYS 9 2.443 -16.666 -19.569 66 2HD LYS 9 2HD LYS 9 1.131 -17.803 -19.250 67 1HE LYS 9 1HE LYS 9 -0.488 -16.117 -19.276 68 2HE LYS 9 2HE LYS 9 0.707 -14.840 -19.053 69 1HZ LYS 9 1HZ LYS 9 -0.143 -14.917 -21.324 70 2HZ LYS 9 2HZ LYS 9 0.418 -16.503 -21.497 71 3HZ LYS 9 3HZ LYS 9 1.518 -15.236 -21.280 72 H LYS 10 H LYS 10 -2.444 -16.762 -14.811 73 HA LYS 10 HA LYS 10 -3.387 -19.511 -15.123 74 1HB LYS 10 1HB LYS 10 -1.951 -19.690 -13.206 75 2HB LYS 10 2HB LYS 10 -2.635 -18.237 -12.491 76 1HG LYS 10 1HG LYS 10 -3.476 -20.201 -11.368 77 2HG LYS 10 2HG LYS 10 -4.784 -19.387 -12.229 78 1HD LYS 10 1HD LYS 10 -4.875 -21.029 -13.887 79 2HD LYS 10 2HD LYS 10 -3.264 -21.638 -13.501 80 1HE LYS 10 1HE LYS 10 -5.427 -21.783 -11.448 81 2HE LYS 10 2HE LYS 10 -5.397 -22.959 -12.760 82 1HZ LYS 10 1HZ LYS 10 -3.601 -23.978 -11.919 83 2HZ LYS 10 2HZ LYS 10 -4.070 -23.252 -10.465 84 3HZ LYS 10 3HZ LYS 10 -2.866 -22.539 -11.416 85 H GLN 11 H GLN 11 -5.549 -19.652 -15.178 86 HA GLN 11 HA GLN 11 -7.089 -17.217 -14.940 87 1HB GLN 11 1HB GLN 11 -7.671 -20.001 -15.893 88 2HB GLN 11 2HB GLN 11 -8.989 -18.884 -15.569 89 1HG GLN 11 1HG GLN 11 -8.378 -17.459 -17.288 90 2HG GLN 11 2HG GLN 11 -6.730 -18.080 -17.350 91 1HE2 GLN 11 1HE2 GLN 11 -8.566 -17.757 -19.531 92 2HE2 GLN 11 2HE2 GLN 11 -8.823 -19.325 -20.211 93 H CYS 12 H CYS 12 -8.242 -16.608 -13.231 94 HA CYS 12 HA CYS 12 -9.111 -18.626 -11.290 95 1HB CYS 12 1HB CYS 12 -7.720 -16.046 -10.540 96 2HB CYS 12 2HB CYS 12 -8.382 -17.228 -9.416 97 HA PRO 13 HA PRO 13 -12.917 -16.442 -11.260 98 1HB PRO 13 1HB PRO 13 -13.750 -16.852 -8.709 99 2HB PRO 13 2HB PRO 13 -13.740 -18.127 -9.933 100 1HG PRO 13 1HG PRO 13 -11.755 -17.567 -7.764 101 2HG PRO 13 2HG PRO 13 -12.418 -19.122 -8.300 102 1HD PRO 13 1HD PRO 13 -9.970 -18.245 -9.055 103 2HD PRO 13 2HD PRO 13 -10.988 -19.254 -10.103 104 H GLN 14 H GLN 14 -14.152 -14.719 -10.105 105 HA GLN 14 HA GLN 14 -12.317 -12.618 -9.275 106 1HB GLN 14 1HB GLN 14 -15.283 -12.531 -9.856 107 2HB GLN 14 2HB GLN 14 -14.277 -11.133 -9.502 108 1HG GLN 14 1HG GLN 14 -14.316 -11.034 -11.773 109 2HG GLN 14 2HG GLN 14 -12.880 -12.028 -11.535 110 1HE2 GLN 14 1HE2 GLN 14 -12.816 -13.997 -12.414 111 2HE2 GLN 14 2HE2 GLN 14 -14.136 -14.769 -13.217 112 H ASN 15 H ASN 15 -13.943 -15.011 -7.743 113 HA ASN 15 HA ASN 15 -14.550 -13.384 -5.371 114 1HB ASN 15 1HB ASN 15 -15.445 -16.168 -6.144 115 2HB ASN 15 2HB ASN 15 -15.804 -15.411 -4.595 116 1HD2 ASN 15 1HD2 ASN 15 -17.925 -15.076 -4.676 117 2HD2 ASN 15 2HD2 ASN 15 -18.749 -14.193 -5.912 118 H SER 16 H SER 16 -11.968 -14.794 -6.525 119 HA SER 16 HA SER 16 -11.090 -15.774 -3.895 120 1HB SER 16 1HB SER 16 -10.251 -17.001 -6.530 121 2HB SER 16 2HB SER 16 -9.838 -17.570 -4.912 122 HG SER 16 HG SER 16 -11.523 -18.813 -5.438 123 H GLY 17 H GLY 17 -8.931 -15.371 -3.354 124 1HA GLY 17 1HA GLY 17 -7.708 -13.223 -4.944 125 2HA GLY 17 2HA GLY 17 -7.389 -13.551 -3.248 126 H CYS 18 H CYS 18 -7.124 -15.207 -6.396 127 HA CYS 18 HA CYS 18 -5.230 -17.086 -5.751 128 1HB CYS 18 1HB CYS 18 -4.900 -17.383 -8.025 129 2HB CYS 18 2HB CYS 18 -6.465 -16.576 -8.003 130 H PHE 19 H PHE 19 -2.901 -17.131 -6.439 131 HA PHE 19 HA PHE 19 -1.381 -14.772 -6.670 132 1HB PHE 19 1HB PHE 19 -0.443 -14.508 -4.504 133 2HB PHE 19 2HB PHE 19 -2.184 -14.605 -4.263 134 HD1 PHE 19 HD1 PHE 19 0.830 -15.625 -2.975 135 HD2 PHE 19 HD2 PHE 19 -2.997 -17.184 -3.993 136 HE1 PHE 19 HE1 PHE 19 1.160 -17.469 -1.379 137 HE2 PHE 19 HE2 PHE 19 -2.674 -19.030 -2.399 138 HZ PHE 19 HZ PHE 19 -0.593 -19.174 -1.089 139 H ARG 20 H ARG 20 0.673 -15.235 -7.289 140 HA ARG 20 HA ARG 20 1.330 -18.040 -7.628 141 1HB ARG 20 1HB ARG 20 1.621 -16.136 -9.370 142 2HB ARG 20 2HB ARG 20 3.084 -15.755 -8.473 143 1HG ARG 20 1HG ARG 20 4.200 -17.497 -9.318 144 2HG ARG 20 2HG ARG 20 2.818 -18.582 -9.163 145 1HD ARG 20 1HD ARG 20 2.449 -18.420 -11.345 146 2HD ARG 20 2HD ARG 20 2.201 -16.683 -11.172 147 HE ARG 20 HE ARG 20 4.880 -16.875 -11.253 148 1HH1 ARG 20 1HH1 ARG 20 2.374 -18.197 -13.276 149 2HH1 ARG 20 2HH1 ARG 20 3.348 -18.193 -14.709 150 1HH2 ARG 20 1HH2 ARG 20 6.172 -16.865 -13.132 151 2HH2 ARG 20 2HH2 ARG 20 5.509 -17.436 -14.626 152 H HIS 21 H HIS 21 2.351 -19.092 -6.065 153 HA HIS 21 HA HIS 21 3.621 -17.926 -3.869 154 1HB HIS 21 1HB HIS 21 3.443 -20.649 -5.019 155 2HB HIS 21 2HB HIS 21 4.795 -20.358 -3.929 156 HD1 HIS 21 HD1 HIS 21 3.985 -19.243 -1.524 157 HD2 HIS 21 HD2 HIS 21 1.174 -21.360 -3.734 158 HE1 HIS 21 HE1 HIS 21 2.159 -19.836 0.101 159 H LEU 22 H LEU 22 6.026 -18.739 -3.358 160 HA LEU 22 HA LEU 22 7.699 -17.180 -5.057 161 1HB LEU 22 1HB LEU 22 8.246 -18.968 -2.704 162 2HB LEU 22 2HB LEU 22 9.531 -18.131 -3.573 163 HG LEU 22 HG LEU 22 9.036 -16.863 -1.625 164 1HD1 LEU 22 1HD1 LEU 22 9.397 -15.610 -3.730 165 2HD1 LEU 22 2HD1 LEU 22 8.417 -14.736 -2.554 166 3HD1 LEU 22 3HD1 LEU 22 7.647 -15.516 -3.935 167 1HD2 LEU 22 1HD2 LEU 22 6.861 -16.139 -0.982 168 2HD2 LEU 22 2HD2 LEU 22 6.766 -17.874 -1.284 169 3HD2 LEU 22 3HD2 LEU 22 6.152 -16.735 -2.483 170 H ASP 23 H ASP 23 6.820 -20.505 -4.942 171 HA ASP 23 HA ASP 23 9.068 -21.294 -6.640 172 1HB ASP 23 1HB ASP 23 6.915 -22.882 -5.240 173 2HB ASP 23 2HB ASP 23 8.062 -23.603 -6.364 174 H GLU 24 H GLU 24 6.834 -19.538 -7.525 175 HA GLU 24 HA GLU 24 5.557 -19.214 -9.379 176 1HB GLU 24 1HB GLU 24 6.832 -21.686 -10.537 177 2HB GLU 24 2HB GLU 24 6.200 -20.289 -11.396 178 1HG GLU 24 1HG GLU 24 8.015 -18.943 -10.250 179 2HG GLU 24 2HG GLU 24 8.715 -20.489 -9.773 180 H ARG 25 H ARG 25 4.413 -20.682 -7.267 181 HA ARG 25 HA ARG 25 2.681 -22.579 -8.711 182 1HB ARG 25 1HB ARG 25 3.843 -23.746 -6.981 183 2HB ARG 25 2HB ARG 25 3.499 -22.480 -5.810 184 1HG ARG 25 1HG ARG 25 1.334 -23.168 -5.495 185 2HG ARG 25 2HG ARG 25 1.228 -23.920 -7.087 186 1HD ARG 25 1HD ARG 25 2.430 -25.807 -6.402 187 2HD ARG 25 2HD ARG 25 3.064 -24.992 -4.973 188 HE ARG 25 HE ARG 25 1.147 -25.545 -3.843 189 1HH1 ARG 25 1HH1 ARG 25 0.667 -26.055 -7.253 190 2HH1 ARG 25 2HH1 ARG 25 -0.856 -26.857 -7.051 191 1HH2 ARG 25 1HH2 ARG 25 -0.857 -26.598 -3.564 192 2HH2 ARG 25 2HH2 ARG 25 -1.722 -27.164 -4.953 193 H GLU 26 H GLU 26 0.938 -21.445 -9.336 194 HA GLU 26 HA GLU 26 -0.175 -19.347 -7.701 195 1HB GLU 26 1HB GLU 26 -1.223 -20.583 -10.253 196 2HB GLU 26 2HB GLU 26 -1.823 -19.111 -9.503 197 1HG GLU 26 1HG GLU 26 -0.205 -17.866 -10.389 198 2HG GLU 26 2HG GLU 26 1.043 -19.049 -9.998 199 H GLU 27 H GLU 27 -1.899 -19.451 -6.381 200 HA GLU 27 HA GLU 27 -3.490 -21.924 -6.358 201 1HB GLU 27 1HB GLU 27 -1.650 -21.609 -4.496 202 2HB GLU 27 2HB GLU 27 -2.856 -20.549 -3.781 203 1HG GLU 27 1HG GLU 27 -2.945 -22.835 -2.893 204 2HG GLU 27 2HG GLU 27 -4.448 -22.346 -3.673 205 H CYS 28 H CYS 28 -5.288 -21.036 -7.282 206 HA CYS 28 HA CYS 28 -6.342 -18.494 -6.538 207 1HB CYS 28 1HB CYS 28 -7.858 -20.719 -7.902 208 2HB CYS 28 2HB CYS 28 -8.152 -18.986 -8.011 209 H LYS 29 H LYS 29 -6.380 -18.780 -4.211 210 HA LYS 29 HA LYS 29 -8.506 -20.528 -3.204 211 1HB LYS 29 1HB LYS 29 -7.573 -20.119 -0.995 212 2HB LYS 29 2HB LYS 29 -6.307 -20.645 -2.097 213 1HG LYS 29 1HG LYS 29 -5.838 -18.135 -2.416 214 2HG LYS 29 2HG LYS 29 -6.789 -17.926 -0.944 215 1HD LYS 29 1HD LYS 29 -4.416 -19.773 -1.159 216 2HD LYS 29 2HD LYS 29 -4.313 -18.106 -0.587 217 1HE LYS 29 1HE LYS 29 -6.159 -20.140 0.641 218 2HE LYS 29 2HE LYS 29 -4.500 -19.907 1.189 219 1HZ LYS 29 1HZ LYS 29 -5.096 -17.520 1.530 220 2HZ LYS 29 2HZ LYS 29 -5.885 -18.599 2.566 221 3HZ LYS 29 3HZ LYS 29 -6.712 -17.934 1.248 222 H CYS 30 H CYS 30 -10.227 -19.754 -1.981 223 HA CYS 30 HA CYS 30 -11.366 -17.336 -2.757 224 1HB CYS 30 1HB CYS 30 -11.992 -18.748 -0.164 225 2HB CYS 30 2HB CYS 30 -13.072 -17.763 -1.145 226 H LEU 31 H LEU 31 -11.592 -15.335 -1.774 227 HA LEU 31 HA LEU 31 -9.390 -14.263 -0.472 228 1HB LEU 31 1HB LEU 31 -12.230 -13.257 -0.379 229 2HB LEU 31 2HB LEU 31 -10.783 -12.315 -0.022 230 HG LEU 31 HG LEU 31 -11.210 -13.552 -2.723 231 1HD1 LEU 31 1HD1 LEU 31 -12.543 -11.191 -1.536 232 2HD1 LEU 31 2HD1 LEU 31 -13.088 -12.287 -2.805 233 3HD1 LEU 31 3HD1 LEU 31 -11.917 -11.023 -3.176 234 1HD2 LEU 31 1HD2 LEU 31 -8.975 -12.649 -1.979 235 2HD2 LEU 31 2HD2 LEU 31 -9.729 -11.055 -1.929 236 3HD2 LEU 31 3HD2 LEU 31 -9.637 -11.940 -3.453 237 H LEU 32 H LEU 32 -9.771 -12.958 1.707 238 HA LEU 32 HA LEU 32 -9.974 -14.947 3.750 239 1HB LEU 32 1HB LEU 32 -9.739 -11.954 4.021 240 2HB LEU 32 2HB LEU 32 -9.444 -13.143 5.288 241 HG LEU 32 HG LEU 32 -7.813 -13.228 2.786 242 1HD1 LEU 32 1HD1 LEU 32 -7.642 -11.195 4.968 243 2HD1 LEU 32 2HD1 LEU 32 -7.442 -10.995 3.227 244 3HD1 LEU 32 3HD1 LEU 32 -6.174 -11.770 4.176 245 1HD2 LEU 32 1HD2 LEU 32 -7.860 -14.547 5.309 246 2HD2 LEU 32 2HD2 LEU 32 -6.354 -13.638 5.176 247 3HD2 LEU 32 3HD2 LEU 32 -6.785 -14.819 3.938 248 H ASN 33 H ASN 33 -12.272 -13.170 2.136 249 HA ASN 33 HA ASN 33 -14.102 -13.116 4.435 250 1HB ASN 33 1HB ASN 33 -14.649 -11.852 1.758 251 2HB ASN 33 2HB ASN 33 -15.367 -11.468 3.320 252 1HD2 ASN 33 1HD2 ASN 33 -12.623 -11.061 1.244 253 2HD2 ASN 33 2HD2 ASN 33 -11.869 -9.795 2.145 254 H TYR 34 H TYR 34 -13.334 -15.512 2.883 255 HA TYR 34 HA TYR 34 -16.047 -16.335 2.117 256 1HB TYR 34 1HB TYR 34 -13.508 -16.834 0.560 257 2HB TYR 34 2HB TYR 34 -14.996 -17.734 0.291 258 HD1 TYR 34 HD1 TYR 34 -16.476 -16.970 -1.315 259 HD2 TYR 34 HD2 TYR 34 -13.761 -14.212 0.454 260 HE1 TYR 34 HE1 TYR 34 -17.259 -15.220 -2.855 261 HE2 TYR 34 HE2 TYR 34 -14.538 -12.454 -1.080 262 HH TYR 34 HH TYR 34 -16.079 -11.893 -2.609 263 H LYS 35 H LYS 35 -16.472 -17.601 3.846 264 HA LYS 35 HA LYS 35 -14.563 -19.294 5.094 265 1HB LYS 35 1HB LYS 35 -16.569 -20.264 6.245 266 2HB LYS 35 2HB LYS 35 -16.416 -18.518 6.393 267 1HG LYS 35 1HG LYS 35 -18.357 -18.153 5.365 268 2HG LYS 35 2HG LYS 35 -18.007 -19.327 4.094 269 1HD LYS 35 1HD LYS 35 -19.962 -20.021 5.349 270 2HD LYS 35 2HD LYS 35 -18.633 -21.146 5.634 271 1HE LYS 35 1HE LYS 35 -18.415 -20.546 7.812 272 2HE LYS 35 2HE LYS 35 -18.873 -18.871 7.508 273 1HZ LYS 35 1HZ LYS 35 -20.466 -20.389 8.815 274 2HZ LYS 35 2HZ LYS 35 -20.881 -21.015 7.300 275 3HZ LYS 35 3HZ LYS 35 -21.107 -19.371 7.625 276 H GLN 36 H GLN 36 -16.246 -19.574 2.204 277 HA GLN 36 HA GLN 36 -16.441 -21.243 0.671 278 1HB GLN 36 1HB GLN 36 -14.028 -21.646 1.620 279 2HB GLN 36 2HB GLN 36 -14.764 -23.067 2.350 280 1HG GLN 36 1HG GLN 36 -15.615 -23.561 -0.038 281 2HG GLN 36 2HG GLN 36 -14.367 -22.422 -0.539 282 1HE2 GLN 36 1HE2 GLN 36 -14.700 -25.147 1.716 283 2HE2 GLN 36 2HE2 GLN 36 -13.218 -25.916 1.271 284 H GLU 37 H GLU 37 -17.523 -23.261 0.281 285 HA GLU 37 HA GLU 37 -18.971 -24.300 2.626 286 1HB GLU 37 1HB GLU 37 -20.185 -22.768 0.799 287 2HB GLU 37 2HB GLU 37 -20.324 -24.317 -0.021 288 1HG GLU 37 1HG GLU 37 -21.129 -24.947 2.506 289 2HG GLU 37 2HG GLU 37 -21.727 -23.299 2.328 290 H GLY 38 H GLY 38 -18.602 -25.078 -0.842 291 1HA GLY 38 1HA GLY 38 -17.251 -27.539 -0.307 292 2HA GLY 38 2HA GLY 38 -18.947 -27.805 -0.681 293 H ASP 39 H ASP 39 -15.835 -27.123 -1.930 294 HA ASP 39 HA ASP 39 -15.005 -27.077 -4.049 295 1HB ASP 39 1HB ASP 39 -16.864 -28.976 -4.180 296 2HB ASP 39 2HB ASP 39 -17.631 -27.811 -5.256 297 H LYS 40 H LYS 40 -16.143 -24.717 -2.910 298 HA LYS 40 HA LYS 40 -16.143 -23.026 -5.153 299 1HB LYS 40 1HB LYS 40 -18.581 -22.194 -4.725 300 2HB LYS 40 2HB LYS 40 -18.302 -23.582 -5.768 301 1HG LYS 40 1HG LYS 40 -19.198 -25.060 -4.282 302 2HG LYS 40 2HG LYS 40 -18.769 -24.079 -2.878 303 1HD LYS 40 1HD LYS 40 -20.639 -22.686 -4.578 304 2HD LYS 40 2HD LYS 40 -21.269 -24.268 -4.112 305 1HE LYS 40 1HE LYS 40 -20.219 -23.334 -1.761 306 2HE LYS 40 2HE LYS 40 -20.838 -21.861 -2.506 307 1HZ LYS 40 1HZ LYS 40 -22.482 -24.311 -2.296 308 2HZ LYS 40 2HZ LYS 40 -22.994 -22.724 -2.575 309 3HZ LYS 40 3HZ LYS 40 -22.420 -23.171 -1.048 310 H CYS 41 H CYS 41 -16.663 -20.739 -4.553 311 HA CYS 41 HA CYS 41 -15.874 -20.281 -1.764 312 1HB CYS 41 1HB CYS 41 -15.782 -18.387 -4.122 313 2HB CYS 41 2HB CYS 41 -15.148 -18.066 -2.511 314 H VAL 42 H VAL 42 -17.135 -19.199 -0.361 315 HA VAL 42 HA VAL 42 -19.638 -18.030 -1.392 316 HB VAL 42 HB VAL 42 -20.603 -18.658 0.889 317 1HG1 VAL 42 1HG1 VAL 42 -21.326 -19.764 -1.120 318 2HG1 VAL 42 2HG1 VAL 42 -19.894 -20.795 -1.117 319 3HG1 VAL 42 3HG1 VAL 42 -21.112 -20.971 0.147 320 1HG2 VAL 42 1HG2 VAL 42 -17.998 -19.469 1.369 321 2HG2 VAL 42 2HG2 VAL 42 -19.410 -19.833 2.362 322 3HG2 VAL 42 3HG2 VAL 42 -18.881 -20.977 1.129 323 H GLU 43 H GLU 43 -19.637 -15.905 -1.120 324 HA GLU 43 HA GLU 43 -17.868 -14.574 0.674 325 1HB GLU 43 1HB GLU 43 -19.152 -12.523 -0.034 326 2HB GLU 43 2HB GLU 43 -18.423 -13.442 -1.343 327 1HG GLU 43 1HG GLU 43 -20.384 -13.703 -2.325 328 2HG GLU 43 2HG GLU 43 -21.077 -14.395 -0.860 329 H ASN 44 H ASN 44 -18.512 -15.614 2.673 330 HA ASN 44 HA ASN 44 -19.655 -15.779 4.641 331 1HB ASN 44 1HB ASN 44 -18.901 -13.503 4.895 332 2HB ASN 44 2HB ASN 44 -20.223 -12.903 3.898 333 1HD2 ASN 44 1HD2 ASN 44 -20.148 -15.243 6.556 334 2HD2 ASN 44 2HD2 ASN 44 -21.281 -14.405 7.554 335 HA PRO 45 HA PRO 45 -23.703 -16.585 2.532 336 1HB PRO 45 1HB PRO 45 -23.867 -19.171 3.342 337 2HB PRO 45 2HB PRO 45 -23.011 -18.675 1.877 338 1HG PRO 45 1HG PRO 45 -21.914 -19.306 4.590 339 2HG PRO 45 2HG PRO 45 -21.295 -19.777 2.996 340 1HD PRO 45 1HD PRO 45 -20.247 -17.724 4.418 341 2HD PRO 45 2HD PRO 45 -20.291 -17.732 2.644 342 H ASN 46 H ASN 46 -22.462 -16.735 5.727 343 HA ASN 46 HA ASN 46 -25.206 -16.654 6.796 344 1HB ASN 46 1HB ASN 46 -23.852 -18.774 7.312 345 2HB ASN 46 2HB ASN 46 -22.863 -17.747 8.345 346 1HD2 ASN 46 1HD2 ASN 46 -25.569 -19.681 8.184 347 2HD2 ASN 46 2HD2 ASN 46 -26.329 -19.200 9.659 348 HA PRO 47 HA PRO 47 -22.885 -12.766 7.872 349 1HB PRO 47 1HB PRO 47 -24.890 -11.083 7.150 350 2HB PRO 47 2HB PRO 47 -23.673 -11.672 6.011 351 1HG PRO 47 1HG PRO 47 -26.469 -12.641 6.465 352 2HG PRO 47 2HG PRO 47 -25.611 -12.378 4.936 353 1HD PRO 47 1HD PRO 47 -25.909 -14.834 6.036 354 2HD PRO 47 2HD PRO 47 -24.483 -14.384 5.080 355 H THR 48 H THR 48 -22.995 -13.138 10.076 356 HA THR 48 HA THR 48 -25.567 -12.847 11.428 357 HB THR 48 HB THR 48 -24.008 -13.295 13.493 358 HG1 THR 48 HG1 THR 48 -22.039 -13.141 12.348 359 1HG2 THR 48 1HG2 THR 48 -25.079 -15.247 13.427 360 2HG2 THR 48 2HG2 THR 48 -24.036 -15.808 12.120 361 3HG2 THR 48 3HG2 THR 48 -25.515 -14.922 11.750 362 1HN NH2 49 1HN THR 49 -25.206 -9.647 12.718 363 2HN NH2 49 2HN THR 49 -26.222 -10.983 12.293 Start of MODEL 20 1 1H ASN 1 1HT ASN 1 -1.251 1.272 -4.104 2 HA ASN 1 HA ASN 1 1.338 0.503 -5.264 3 1HB ASN 1 1HB ASN 1 0.566 2.301 -2.982 4 2HB ASN 1 2HB ASN 1 2.189 1.623 -3.077 5 1HD2 ASN 1 1HD2 ASN 1 3.017 3.731 -3.293 6 2HD2 ASN 1 2HD2 ASN 1 2.926 4.578 -4.795 7 H ILE 2 H ILE 2 1.195 -1.724 -5.047 8 HA ILE 2 HA ILE 2 1.500 -2.696 -2.302 9 HB ILE 2 HB ILE 2 -0.861 -3.085 -2.968 10 1HG1 ILE 2 1HG1 ILE 2 -0.891 -5.491 -2.381 11 2HG1 ILE 2 2HG1 ILE 2 0.842 -5.570 -2.674 12 1HG2 ILE 2 1HG2 ILE 2 0.227 -3.728 -5.426 13 2HG2 ILE 2 2HG2 ILE 2 -0.296 -5.281 -4.776 14 3HG2 ILE 2 3HG2 ILE 2 -1.450 -3.957 -4.933 15 1HD1 ILE 2 1HD1 ILE 2 -0.393 -5.062 -0.268 16 2HD1 ILE 2 2HD1 ILE 2 1.306 -4.785 -0.652 17 3HD1 ILE 2 3HD1 ILE 2 0.141 -3.470 -0.807 18 H SER 3 H SER 3 2.868 -4.437 -2.073 19 HA SER 3 HA SER 3 4.282 -5.267 -4.521 20 1HB SER 3 1HB SER 3 6.226 -5.719 -3.007 21 2HB SER 3 2HB SER 3 5.756 -4.021 -3.067 22 HG SER 3 HG SER 3 5.399 -4.112 -1.008 23 H GLN 4 H GLN 4 2.624 -6.923 -4.771 24 HA GLN 4 HA GLN 4 3.364 -9.342 -3.320 25 1HB GLN 4 1HB GLN 4 1.444 -8.465 -2.084 26 2HB GLN 4 2HB GLN 4 0.510 -8.375 -3.571 27 1HG GLN 4 1HG GLN 4 0.671 -10.819 -3.793 28 2HG GLN 4 2HG GLN 4 1.543 -10.881 -2.262 29 1HE2 GLN 4 1HE2 GLN 4 -1.492 -9.780 -3.704 30 2HE2 GLN 4 2HE2 GLN 4 -2.468 -10.083 -2.311 31 H HIS 5 H HIS 5 3.716 -10.923 -4.723 32 HA HIS 5 HA HIS 5 3.440 -10.718 -7.461 33 1HB HIS 5 1HB HIS 5 3.579 -13.273 -7.422 34 2HB HIS 5 2HB HIS 5 4.896 -12.390 -6.654 35 HD1 HIS 5 HD1 HIS 5 5.476 -14.368 -5.112 36 HD2 HIS 5 HD2 HIS 5 1.594 -12.960 -4.659 37 HE1 HIS 5 HE1 HIS 5 4.618 -15.432 -3.002 38 H GLN 6 H GLN 6 2.104 -12.209 -8.874 39 HA GLN 6 HA GLN 6 -0.538 -12.840 -7.862 40 1HB GLN 6 1HB GLN 6 -1.707 -11.483 -9.541 41 2HB GLN 6 2HB GLN 6 -0.777 -10.481 -8.435 42 1HG GLN 6 1HG GLN 6 0.798 -9.939 -10.041 43 2HG GLN 6 2HG GLN 6 0.392 -11.327 -11.050 44 1HE2 GLN 6 1HE2 GLN 6 -0.574 -8.129 -10.049 45 2HE2 GLN 6 2HE2 GLN 6 -1.670 -7.837 -11.351 46 H CYS 7 H CYS 7 -1.913 -13.339 -10.101 47 HA CYS 7 HA CYS 7 -0.367 -15.501 -11.313 48 1HB CYS 7 1HB CYS 7 -3.314 -14.969 -11.670 49 2HB CYS 7 2HB CYS 7 -2.447 -16.479 -11.930 50 H VAL 8 H VAL 8 0.396 -15.405 -13.320 51 HA VAL 8 HA VAL 8 -0.725 -13.383 -15.151 52 HB VAL 8 HB VAL 8 1.557 -13.221 -16.162 53 1HG1 VAL 8 1HG1 VAL 8 1.031 -12.371 -13.336 54 2HG1 VAL 8 2HG1 VAL 8 2.526 -11.927 -14.162 55 3HG1 VAL 8 3HG1 VAL 8 0.970 -11.412 -14.814 56 1HG2 VAL 8 1HG2 VAL 8 3.229 -14.539 -15.521 57 2HG2 VAL 8 2HG2 VAL 8 3.005 -14.091 -13.830 58 3HG2 VAL 8 3HG2 VAL 8 2.077 -15.423 -14.520 59 H LYS 9 H LYS 9 -0.283 -16.620 -14.590 60 HA LYS 9 HA LYS 9 -0.851 -17.253 -17.378 61 1HB LYS 9 1HB LYS 9 1.340 -18.654 -15.835 62 2HB LYS 9 2HB LYS 9 0.811 -19.036 -17.468 63 1HG LYS 9 1HG LYS 9 1.998 -16.390 -16.665 64 2HG LYS 9 2HG LYS 9 2.927 -17.732 -17.338 65 1HD LYS 9 1HD LYS 9 1.905 -17.560 -19.418 66 2HD LYS 9 2HD LYS 9 0.511 -16.693 -18.770 67 1HE LYS 9 1HE LYS 9 1.974 -15.224 -20.080 68 2HE LYS 9 2HE LYS 9 1.883 -14.724 -18.392 69 1HZ LYS 9 1HZ LYS 9 4.029 -15.372 -17.989 70 2HZ LYS 9 2HZ LYS 9 4.165 -14.856 -19.594 71 3HZ LYS 9 3HZ LYS 9 4.057 -16.507 -19.243 72 H LYS 10 H LYS 10 -2.307 -17.246 -14.803 73 HA LYS 10 HA LYS 10 -3.245 -20.023 -14.920 74 1HB LYS 10 1HB LYS 10 -1.846 -19.926 -12.948 75 2HB LYS 10 2HB LYS 10 -2.654 -18.464 -12.399 76 1HG LYS 10 1HG LYS 10 -3.446 -20.336 -11.126 77 2HG LYS 10 2HG LYS 10 -4.748 -19.750 -12.163 78 1HD LYS 10 1HD LYS 10 -4.979 -21.880 -12.804 79 2HD LYS 10 2HD LYS 10 -3.504 -21.629 -13.740 80 1HE LYS 10 1HE LYS 10 -3.266 -23.626 -12.419 81 2HE LYS 10 2HE LYS 10 -2.188 -22.384 -11.784 82 1HZ LYS 10 1HZ LYS 10 -4.842 -23.099 -10.658 83 2HZ LYS 10 2HZ LYS 10 -3.792 -21.924 -10.042 84 3HZ LYS 10 3HZ LYS 10 -3.346 -23.556 -10.013 85 H GLN 11 H GLN 11 -5.405 -20.219 -15.008 86 HA GLN 11 HA GLN 11 -6.993 -17.807 -15.106 87 1HB GLN 11 1HB GLN 11 -7.483 -20.696 -15.733 88 2HB GLN 11 2HB GLN 11 -8.845 -19.598 -15.550 89 1HG GLN 11 1HG GLN 11 -7.719 -18.130 -17.274 90 2HG GLN 11 2HG GLN 11 -6.633 -19.486 -17.573 91 1HE2 GLN 11 1HE2 GLN 11 -8.102 -21.645 -17.614 92 2HE2 GLN 11 2HE2 GLN 11 -9.362 -21.563 -18.794 93 H CYS 12 H CYS 12 -8.193 -17.010 -13.512 94 HA CYS 12 HA CYS 12 -9.148 -18.780 -11.389 95 1HB CYS 12 1HB CYS 12 -7.685 -16.194 -10.820 96 2HB CYS 12 2HB CYS 12 -8.373 -17.292 -9.628 97 HA PRO 13 HA PRO 13 -12.842 -16.427 -11.670 98 1HB PRO 13 1HB PRO 13 -13.763 -16.579 -9.121 99 2HB PRO 13 2HB PRO 13 -13.783 -17.953 -10.233 100 1HG PRO 13 1HG PRO 13 -11.831 -17.304 -8.058 101 2HG PRO 13 2HG PRO 13 -12.555 -18.866 -8.481 102 1HD PRO 13 1HD PRO 13 -10.048 -18.172 -9.232 103 2HD PRO 13 2HD PRO 13 -11.086 -19.218 -10.222 104 H GLN 14 H GLN 14 -14.062 -14.600 -10.558 105 HA GLN 14 HA GLN 14 -12.136 -12.507 -9.897 106 1HB GLN 14 1HB GLN 14 -15.087 -12.279 -10.512 107 2HB GLN 14 2HB GLN 14 -13.953 -10.944 -10.352 108 1HG GLN 14 1HG GLN 14 -13.950 -13.066 -12.485 109 2HG GLN 14 2HG GLN 14 -14.390 -11.369 -12.676 110 1HE2 GLN 14 1HE2 GLN 14 -11.907 -13.639 -12.805 111 2HE2 GLN 14 2HE2 GLN 14 -10.579 -12.549 -12.993 112 H ASN 15 H ASN 15 -13.872 -14.703 -8.225 113 HA ASN 15 HA ASN 15 -14.491 -12.868 -6.012 114 1HB ASN 15 1HB ASN 15 -15.465 -15.676 -6.575 115 2HB ASN 15 2HB ASN 15 -15.848 -14.769 -5.115 116 1HD2 ASN 15 1HD2 ASN 15 -17.902 -14.217 -5.245 117 2HD2 ASN 15 2HD2 ASN 15 -18.669 -13.484 -6.608 118 H SER 16 H SER 16 -11.981 -14.596 -7.008 119 HA SER 16 HA SER 16 -11.211 -15.382 -4.275 120 1HB SER 16 1HB SER 16 -10.317 -16.757 -6.818 121 2HB SER 16 2HB SER 16 -9.951 -17.248 -5.164 122 HG SER 16 HG SER 16 -11.658 -18.482 -5.933 123 H GLY 17 H GLY 17 -8.977 -15.155 -3.743 124 1HA GLY 17 1HA GLY 17 -7.667 -13.054 -5.340 125 2HA GLY 17 2HA GLY 17 -7.405 -13.336 -3.625 126 H CYS 18 H CYS 18 -7.128 -15.130 -6.697 127 HA CYS 18 HA CYS 18 -5.302 -17.032 -5.929 128 1HB CYS 18 1HB CYS 18 -4.914 -17.428 -8.188 129 2HB CYS 18 2HB CYS 18 -6.481 -16.628 -8.217 130 H PHE 19 H PHE 19 -2.965 -17.177 -6.574 131 HA PHE 19 HA PHE 19 -1.375 -14.868 -6.878 132 1HB PHE 19 1HB PHE 19 -0.445 -14.571 -4.706 133 2HB PHE 19 2HB PHE 19 -2.193 -14.574 -4.498 134 HD1 PHE 19 HD1 PHE 19 -3.157 -17.068 -4.114 135 HD2 PHE 19 HD2 PHE 19 0.760 -15.718 -3.141 136 HE1 PHE 19 HE1 PHE 19 -2.957 -18.864 -2.444 137 HE2 PHE 19 HE2 PHE 19 0.968 -17.512 -1.471 138 HZ PHE 19 HZ PHE 19 -0.892 -19.089 -1.121 139 H ARG 20 H ARG 20 0.677 -15.408 -7.444 140 HA ARG 20 HA ARG 20 1.262 -18.248 -7.646 141 1HB ARG 20 1HB ARG 20 1.582 -16.444 -9.494 142 2HB ARG 20 2HB ARG 20 3.065 -16.061 -8.631 143 1HG ARG 20 1HG ARG 20 4.117 -17.895 -9.369 144 2HG ARG 20 2HG ARG 20 2.686 -18.912 -9.185 145 1HD ARG 20 1HD ARG 20 2.345 -18.823 -11.376 146 2HD ARG 20 2HD ARG 20 2.173 -17.071 -11.275 147 HE ARG 20 HE ARG 20 4.840 -17.378 -11.320 148 1HH1 ARG 20 1HH1 ARG 20 2.302 -18.688 -13.311 149 2HH1 ARG 20 2HH1 ARG 20 3.289 -18.789 -14.731 150 1HH2 ARG 20 1HH2 ARG 20 6.150 -17.506 -13.183 151 2HH2 ARG 20 2HH2 ARG 20 5.479 -18.118 -14.656 152 H HIS 21 H HIS 21 2.222 -19.202 -5.979 153 HA HIS 21 HA HIS 21 3.543 -17.940 -3.881 154 1HB HIS 21 1HB HIS 21 3.336 -20.730 -4.871 155 2HB HIS 21 2HB HIS 21 4.660 -20.382 -3.762 156 HD1 HIS 21 HD1 HIS 21 3.820 -19.161 -1.441 157 HD2 HIS 21 HD2 HIS 21 0.997 -21.285 -3.627 158 HE1 HIS 21 HE1 HIS 21 1.936 -19.620 0.160 159 H LEU 22 H LEU 22 5.927 -18.717 -3.312 160 HA LEU 22 HA LEU 22 7.620 -17.350 -5.162 161 1HB LEU 22 1HB LEU 22 8.586 -19.032 -2.876 162 2HB LEU 22 2HB LEU 22 9.324 -17.590 -3.572 163 HG LEU 22 HG LEU 22 6.780 -17.617 -1.949 164 1HD1 LEU 22 1HD1 LEU 22 8.595 -18.196 -0.510 165 2HD1 LEU 22 2HD1 LEU 22 8.203 -16.499 -0.233 166 3HD1 LEU 22 3HD1 LEU 22 9.615 -16.931 -1.197 167 1HD2 LEU 22 1HD2 LEU 22 7.439 -15.781 -3.771 168 2HD2 LEU 22 2HD2 LEU 22 8.375 -15.167 -2.408 169 3HD2 LEU 22 3HD2 LEU 22 6.630 -15.377 -2.257 170 H ASP 23 H ASP 23 6.470 -20.478 -5.064 171 HA ASP 23 HA ASP 23 8.818 -21.541 -6.484 172 1HB ASP 23 1HB ASP 23 7.480 -23.769 -6.069 173 2HB ASP 23 2HB ASP 23 8.451 -23.058 -4.782 174 H GLU 24 H GLU 24 6.579 -19.816 -7.523 175 HA GLU 24 HA GLU 24 5.390 -19.608 -9.451 176 1HB GLU 24 1HB GLU 24 6.598 -22.218 -10.353 177 2HB GLU 24 2HB GLU 24 6.029 -20.885 -11.348 178 1HG GLU 24 1HG GLU 24 7.860 -19.492 -10.548 179 2HG GLU 24 2HG GLU 24 8.426 -20.814 -9.529 180 H ARG 25 H ARG 25 4.257 -20.985 -7.187 181 HA ARG 25 HA ARG 25 2.437 -22.875 -8.522 182 1HB ARG 25 1HB ARG 25 3.707 -23.816 -6.629 183 2HB ARG 25 2HB ARG 25 3.038 -22.578 -5.574 184 1HG ARG 25 1HG ARG 25 1.035 -23.608 -5.407 185 2HG ARG 25 2HG ARG 25 1.092 -24.226 -7.058 186 1HD ARG 25 1HD ARG 25 2.645 -25.295 -4.704 187 2HD ARG 25 2HD ARG 25 1.221 -26.039 -5.430 188 HE ARG 25 HE ARG 25 3.143 -25.703 -7.429 189 1HH1 ARG 25 1HH1 ARG 25 2.662 -27.534 -4.507 190 2HH1 ARG 25 2HH1 ARG 25 3.637 -28.868 -5.028 191 1HH2 ARG 25 1HH2 ARG 25 4.429 -27.453 -8.126 192 2HH2 ARG 25 2HH2 ARG 25 4.643 -28.820 -7.085 193 H GLU 26 H GLU 26 0.698 -21.785 -9.205 194 HA GLU 26 HA GLU 26 -0.342 -19.527 -7.731 195 1HB GLU 26 1HB GLU 26 -1.634 -20.855 -10.106 196 2HB GLU 26 2HB GLU 26 -1.818 -19.195 -9.559 197 1HG GLU 26 1HG GLU 26 -0.409 -18.848 -11.295 198 2HG GLU 26 2HG GLU 26 0.781 -19.133 -10.027 199 H GLU 27 H GLU 27 -2.026 -19.513 -6.369 200 HA GLU 27 HA GLU 27 -3.691 -21.934 -6.188 201 1HB GLU 27 1HB GLU 27 -1.837 -21.402 -4.331 202 2HB GLU 27 2HB GLU 27 -3.142 -20.408 -3.698 203 1HG GLU 27 1HG GLU 27 -3.659 -23.253 -4.430 204 2HG GLU 27 2HG GLU 27 -2.875 -22.859 -2.901 205 H CYS 28 H CYS 28 -5.428 -21.036 -7.249 206 HA CYS 28 HA CYS 28 -6.450 -18.442 -6.661 207 1HB CYS 28 1HB CYS 28 -7.976 -20.702 -7.953 208 2HB CYS 28 2HB CYS 28 -8.227 -18.972 -8.160 209 H LYS 29 H LYS 29 -6.571 -18.591 -4.330 210 HA LYS 29 HA LYS 29 -8.790 -20.221 -3.314 211 1HB LYS 29 1HB LYS 29 -7.884 -19.777 -1.091 212 2HB LYS 29 2HB LYS 29 -6.645 -20.450 -2.143 213 1HG LYS 29 1HG LYS 29 -5.447 -18.503 -2.212 214 2HG LYS 29 2HG LYS 29 -6.862 -17.492 -1.908 215 1HD LYS 29 1HD LYS 29 -5.437 -17.460 0.035 216 2HD LYS 29 2HD LYS 29 -6.914 -18.348 0.419 217 1HE LYS 29 1HE LYS 29 -4.552 -19.861 -0.582 218 2HE LYS 29 2HE LYS 29 -4.538 -19.279 1.082 219 1HZ LYS 29 1HZ LYS 29 -5.845 -20.950 1.659 220 2HZ LYS 29 2HZ LYS 29 -5.801 -21.545 0.076 221 3HZ LYS 29 3HZ LYS 29 -7.025 -20.474 0.544 222 H CYS 30 H CYS 30 -10.453 -19.305 -2.074 223 HA CYS 30 HA CYS 30 -11.417 -16.823 -2.961 224 1HB CYS 30 1HB CYS 30 -12.267 -18.150 -0.391 225 2HB CYS 30 2HB CYS 30 -13.232 -17.144 -1.467 226 H LEU 31 H LEU 31 -11.611 -14.822 -1.937 227 HA LEU 31 HA LEU 31 -9.387 -13.877 -0.563 228 1HB LEU 31 1HB LEU 31 -12.180 -12.743 -0.607 229 2HB LEU 31 2HB LEU 31 -10.735 -11.873 -0.095 230 HG LEU 31 HG LEU 31 -10.647 -12.996 -2.820 231 1HD1 LEU 31 1HD1 LEU 31 -12.672 -10.973 -1.967 232 2HD1 LEU 31 2HD1 LEU 31 -12.830 -12.308 -3.108 233 3HD1 LEU 31 3HD1 LEU 31 -11.927 -10.863 -3.562 234 1HD2 LEU 31 1HD2 LEU 31 -9.976 -10.390 -2.984 235 2HD2 LEU 31 2HD2 LEU 31 -8.846 -11.671 -2.546 236 3HD2 LEU 31 3HD2 LEU 31 -9.614 -10.704 -1.286 237 H LEU 32 H LEU 32 -9.832 -12.540 1.613 238 HA LEU 32 HA LEU 32 -10.197 -14.548 3.629 239 1HB LEU 32 1HB LEU 32 -9.437 -11.661 3.612 240 2HB LEU 32 2HB LEU 32 -9.904 -12.427 5.129 241 HG LEU 32 HG LEU 32 -8.083 -14.155 4.591 242 1HD1 LEU 32 1HD1 LEU 32 -6.214 -12.938 3.253 243 2HD1 LEU 32 2HD1 LEU 32 -7.561 -12.058 2.532 244 3HD1 LEU 32 3HD1 LEU 32 -7.482 -13.814 2.393 245 1HD2 LEU 32 1HD2 LEU 32 -7.505 -12.889 6.385 246 2HD2 LEU 32 2HD2 LEU 32 -7.781 -11.365 5.541 247 3HD2 LEU 32 3HD2 LEU 32 -6.305 -12.283 5.243 248 H ASN 33 H ASN 33 -12.335 -12.669 1.943 249 HA ASN 33 HA ASN 33 -14.246 -12.567 4.181 250 1HB ASN 33 1HB ASN 33 -14.435 -11.040 1.581 251 2HB ASN 33 2HB ASN 33 -15.392 -10.795 3.039 252 1HD2 ASN 33 1HD2 ASN 33 -12.514 -10.047 1.376 253 2HD2 ASN 33 2HD2 ASN 33 -11.820 -9.009 2.571 254 H TYR 34 H TYR 34 -13.638 -14.935 2.615 255 HA TYR 34 HA TYR 34 -16.334 -15.442 1.571 256 1HB TYR 34 1HB TYR 34 -13.719 -16.086 0.214 257 2HB TYR 34 2HB TYR 34 -15.218 -16.912 -0.194 258 HD1 TYR 34 HD1 TYR 34 -13.893 -13.437 0.182 259 HD2 TYR 34 HD2 TYR 34 -16.488 -16.067 -1.927 260 HE1 TYR 34 HE1 TYR 34 -14.466 -11.617 -1.370 261 HE2 TYR 34 HE2 TYR 34 -17.067 -14.255 -3.486 262 HH TYR 34 HH TYR 34 -17.080 -11.731 -3.450 263 H LYS 35 H LYS 35 -16.637 -16.409 3.671 264 HA LYS 35 HA LYS 35 -15.086 -18.535 4.660 265 1HB LYS 35 1HB LYS 35 -17.172 -19.082 5.987 266 2HB LYS 35 2HB LYS 35 -16.553 -17.447 6.173 267 1HG LYS 35 1HG LYS 35 -18.388 -16.515 5.289 268 2HG LYS 35 2HG LYS 35 -18.546 -17.760 4.047 269 1HD LYS 35 1HD LYS 35 -19.169 -18.367 6.916 270 2HD LYS 35 2HD LYS 35 -20.363 -17.582 5.879 271 1HE LYS 35 1HE LYS 35 -20.113 -19.459 4.271 272 2HE LYS 35 2HE LYS 35 -19.039 -20.254 5.421 273 1HZ LYS 35 1HZ LYS 35 -20.974 -21.206 6.044 274 2HZ LYS 35 2HZ LYS 35 -21.932 -19.921 5.505 275 3HZ LYS 35 3HZ LYS 35 -21.118 -19.807 6.984 276 H GLN 36 H GLN 36 -14.655 -20.215 3.336 277 HA GLN 36 HA GLN 36 -16.169 -21.298 1.333 278 1HB GLN 36 1HB GLN 36 -13.776 -21.911 2.395 279 2HB GLN 36 2HB GLN 36 -14.720 -23.254 3.027 280 1HG GLN 36 1HG GLN 36 -15.508 -23.545 0.587 281 2HG GLN 36 2HG GLN 36 -14.108 -22.550 0.189 282 1HE2 GLN 36 1HE2 GLN 36 -14.709 -25.163 2.516 283 2HE2 GLN 36 2HE2 GLN 36 -13.377 -26.144 2.017 284 H GLU 37 H GLU 37 -17.727 -22.882 1.135 285 HA GLU 37 HA GLU 37 -19.007 -23.755 3.642 286 1HB GLU 37 1HB GLU 37 -20.276 -21.982 2.373 287 2HB GLU 37 2HB GLU 37 -20.458 -23.144 1.066 288 1HG GLU 37 1HG GLU 37 -22.438 -23.009 2.512 289 2HG GLU 37 2HG GLU 37 -21.721 -24.619 2.481 290 H GLY 38 H GLY 38 -19.059 -24.471 0.141 291 1HA GLY 38 1HA GLY 38 -18.678 -27.312 0.815 292 2HA GLY 38 2HA GLY 38 -19.994 -26.839 -0.249 293 H ASP 39 H ASP 39 -16.484 -26.295 0.073 294 HA ASP 39 HA ASP 39 -14.802 -26.317 -1.458 295 1HB ASP 39 1HB ASP 39 -16.768 -28.239 -2.634 296 2HB ASP 39 2HB ASP 39 -15.375 -27.751 -3.596 297 H LYS 40 H LYS 40 -16.268 -24.044 -1.487 298 HA LYS 40 HA LYS 40 -15.841 -23.097 -4.160 299 1HB LYS 40 1HB LYS 40 -18.271 -22.136 -4.192 300 2HB LYS 40 2HB LYS 40 -17.973 -23.781 -4.740 301 1HG LYS 40 1HG LYS 40 -18.935 -24.722 -2.861 302 2HG LYS 40 2HG LYS 40 -18.721 -23.260 -1.895 303 1HD LYS 40 1HD LYS 40 -20.383 -22.763 -4.209 304 2HD LYS 40 2HD LYS 40 -21.033 -24.073 -3.221 305 1HE LYS 40 1HE LYS 40 -20.274 -22.179 -1.363 306 2HE LYS 40 2HE LYS 40 -20.912 -21.213 -2.692 307 1HZ LYS 40 1HZ LYS 40 -22.940 -22.541 -2.620 308 2HZ LYS 40 2HZ LYS 40 -22.652 -21.784 -1.135 309 3HZ LYS 40 3HZ LYS 40 -22.328 -23.434 -1.319 310 H CYS 41 H CYS 41 -16.859 -20.700 -4.229 311 HA CYS 41 HA CYS 41 -15.899 -19.413 -1.765 312 1HB CYS 41 1HB CYS 41 -16.104 -18.282 -4.565 313 2HB CYS 41 2HB CYS 41 -15.460 -17.437 -3.161 314 H VAL 42 H VAL 42 -17.127 -17.924 -0.701 315 HA VAL 42 HA VAL 42 -19.654 -17.044 -1.851 316 HB VAL 42 HB VAL 42 -20.798 -17.650 0.374 317 1HG1 VAL 42 1HG1 VAL 42 -21.479 -18.681 -1.668 318 2HG1 VAL 42 2HG1 VAL 42 -20.057 -19.727 -1.680 319 3HG1 VAL 42 3HG1 VAL 42 -21.310 -19.953 -0.459 320 1HG2 VAL 42 1HG2 VAL 42 -18.470 -19.567 0.444 321 2HG2 VAL 42 2HG2 VAL 42 -18.815 -18.293 1.613 322 3HG2 VAL 42 3HG2 VAL 42 -19.905 -19.672 1.464 323 H GLU 43 H GLU 43 -19.468 -14.908 -1.653 324 HA GLU 43 HA GLU 43 -17.900 -13.607 0.304 325 1HB GLU 43 1HB GLU 43 -19.092 -11.537 -0.502 326 2HB GLU 43 2HB GLU 43 -18.280 -12.472 -1.751 327 1HG GLU 43 1HG GLU 43 -20.165 -12.583 -2.891 328 2HG GLU 43 2HG GLU 43 -20.925 -13.444 -1.554 329 H ASN 44 H ASN 44 -18.643 -14.515 2.291 330 HA ASN 44 HA ASN 44 -19.932 -14.662 4.170 331 1HB ASN 44 1HB ASN 44 -19.323 -12.069 3.731 332 2HB ASN 44 2HB ASN 44 -21.082 -11.965 3.729 333 1HD2 ASN 44 1HD2 ASN 44 -21.673 -13.944 5.581 334 2HD2 ASN 44 2HD2 ASN 44 -21.118 -13.436 7.136 335 HA PRO 45 HA PRO 45 -23.811 -15.563 1.786 336 1HB PRO 45 1HB PRO 45 -23.977 -18.151 2.589 337 2HB PRO 45 2HB PRO 45 -23.039 -17.641 1.181 338 1HG PRO 45 1HG PRO 45 -22.106 -18.248 3.960 339 2HG PRO 45 2HG PRO 45 -21.378 -18.708 2.410 340 1HD PRO 45 1HD PRO 45 -20.462 -16.635 3.892 341 2HD PRO 45 2HD PRO 45 -20.392 -16.645 2.118 342 H ASN 46 H ASN 46 -22.800 -16.293 5.085 343 HA ASN 46 HA ASN 46 -25.232 -15.223 6.152 344 1HB ASN 46 1HB ASN 46 -24.846 -18.165 5.964 345 2HB ASN 46 2HB ASN 46 -25.490 -17.540 7.480 346 1HD2 ASN 46 1HD2 ASN 46 -26.341 -18.780 4.604 347 2HD2 ASN 46 2HD2 ASN 46 -27.912 -18.084 4.423 348 HA PRO 47 HA PRO 47 -22.684 -14.453 9.640 349 1HB PRO 47 1HB PRO 47 -24.439 -14.641 11.703 350 2HB PRO 47 2HB PRO 47 -24.446 -13.297 10.555 351 1HG PRO 47 1HG PRO 47 -26.180 -15.737 10.627 352 2HG PRO 47 2HG PRO 47 -26.632 -14.052 10.311 353 1HD PRO 47 1HD PRO 47 -26.301 -15.868 8.330 354 2HD PRO 47 2HD PRO 47 -25.933 -14.144 8.116 355 H THR 48 H THR 48 -24.504 -17.422 9.557 356 HA THR 48 HA THR 48 -23.276 -18.622 11.842 357 HB THR 48 HB THR 48 -24.163 -20.782 10.735 358 HG1 THR 48 HG1 THR 48 -24.472 -20.087 8.641 359 1HG2 THR 48 1HG2 THR 48 -25.288 -19.700 12.598 360 2HG2 THR 48 2HG2 THR 48 -26.476 -20.257 11.419 361 3HG2 THR 48 3HG2 THR 48 -26.047 -18.548 11.499 362 1HN NH2 49 1HN THR 49 -20.167 -19.542 10.564 363 2HN NH2 49 2HN THR 49 -21.081 -18.736 11.795
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