NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599404 | 2mz4 | 25472 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 12.642 -20.438 3.746 2 HB1 ALA 1 HB1 ALA 1 13.113 -19.116 1.982 3 HB2 ALA 1 HB2 ALA 1 12.240 -17.760 2.695 4 HB3 ALA 1 HB3 ALA 1 11.376 -18.955 1.728 5 H ASP 2 HN ASP 2 14.038 -18.706 4.736 6 HA ASP 2 HA ASP 2 12.834 -17.843 7.225 7 HB2 ASP 2 HB2 ASP 2 15.057 -18.780 7.319 8 HB3 ASP 2 HB1 ASP 2 15.645 -17.615 6.134 9 H ASN 3 HN ASN 3 11.326 -16.316 6.189 10 HA ASN 3 HA ASN 3 10.655 -14.168 5.732 11 HB2 ASN 3 HB2 ASN 3 13.402 -13.242 6.552 12 HB3 ASN 3 HB1 ASN 3 11.863 -12.396 6.712 13 HD21 ASN 3 HD21 ASN 3 10.280 -13.355 8.318 14 HD22 ASN 3 HD22 ASN 3 10.895 -14.199 9.656 15 H LYS 4 HN LYS 4 10.375 -13.614 3.684 16 HA LYS 4 HA LYS 4 12.754 -13.062 2.025 17 HB2 LYS 4 HB2 LYS 4 11.610 -14.089 0.101 18 HB3 LYS 4 HB1 LYS 4 11.845 -15.260 1.396 19 HG2 LYS 4 HG2 LYS 4 9.503 -14.707 2.190 20 HG3 LYS 4 HG1 LYS 4 9.295 -13.783 0.701 21 HD2 LYS 4 HD2 LYS 4 9.841 -15.820 -0.615 22 HD3 LYS 4 HD1 LYS 4 9.966 -16.735 0.888 23 HE2 LYS 4 HE2 LYS 4 7.597 -16.061 1.410 24 HE3 LYS 4 HE1 LYS 4 7.499 -15.356 -0.204 25 HZ1 LYS 4 HZ1 LYS 4 8.412 -18.131 0.103 26 HZ2 LYS 4 HZ2 LYS 4 7.619 -17.396 -1.207 27 HZ3 LYS 4 HZ3 LYS 4 6.753 -17.794 0.199 28 H CYS 5 HN CYS 5 11.073 -12.467 -0.276 29 HA CYS 5 HA CYS 5 10.544 -9.716 0.273 30 HB2 CYS 5 HB2 CYS 5 9.262 -10.538 -2.149 31 HB3 CYS 5 HB1 CYS 5 10.730 -9.582 -1.953 32 H GLU 6 HN GLU 6 8.941 -11.969 1.635 33 HA GLU 6 HA GLU 6 6.222 -11.307 0.794 34 HB2 GLU 6 HB2 GLU 6 5.513 -13.093 2.213 35 HB3 GLU 6 HB1 GLU 6 6.955 -13.666 1.373 36 HG2 GLU 6 HG2 GLU 6 7.605 -14.230 3.493 37 HG3 GLU 6 HG1 GLU 6 8.121 -12.545 3.533 38 H ASN 7 HN ASN 7 8.548 -10.320 3.093 39 HA ASN 7 HA ASN 7 6.657 -9.390 5.078 40 HB2 ASN 7 HB2 ASN 7 8.989 -10.129 5.634 41 HB3 ASN 7 HB1 ASN 7 9.587 -8.697 4.798 42 HD21 ASN 7 HD21 ASN 7 10.449 -7.863 6.867 43 HD22 ASN 7 HD22 ASN 7 9.400 -7.198 8.025 44 H SER 8 HN SER 8 8.805 -6.981 5.006 45 HA SER 8 HA SER 8 6.926 -5.160 3.718 46 HB2 SER 8 HB2 SER 8 9.004 -4.969 5.759 47 HB3 SER 8 HB1 SER 8 9.091 -3.663 4.580 48 HG SER 8 HG SER 8 7.576 -3.573 6.538 49 H LEU 9 HN LEU 9 7.258 -4.152 1.812 50 HA LEU 9 HA LEU 9 9.099 -5.130 -0.051 51 HB2 LEU 9 HB2 LEU 9 7.891 -2.370 -0.164 52 HB3 LEU 9 HB1 LEU 9 8.307 -3.437 -1.505 53 HG LEU 9 HG LEU 9 6.562 -4.988 -0.022 54 HD11 LEU 9 HD11 LEU 9 5.436 -2.176 -0.137 55 HD12 LEU 9 HD12 LEU 9 6.060 -2.912 1.338 56 HD13 LEU 9 HD13 LEU 9 4.656 -3.609 0.530 57 HD21 LEU 9 HD21 LEU 9 6.117 -3.140 -2.371 58 HD22 LEU 9 HD22 LEU 9 4.921 -4.322 -1.846 59 HD23 LEU 9 HD23 LEU 9 6.500 -4.859 -2.421 60 H ARG 10 HN ARG 10 9.726 -3.247 2.618 61 HA ARG 10 HA ARG 10 11.553 -1.332 1.730 62 HB2 ARG 10 HB2 ARG 10 12.270 -1.175 3.976 63 HB3 ARG 10 HB1 ARG 10 10.579 -1.666 4.077 64 HG2 ARG 10 HG2 ARG 10 11.401 -4.063 4.160 65 HG3 ARG 10 HG1 ARG 10 13.020 -3.414 4.380 66 HD2 ARG 10 HD2 ARG 10 11.481 -1.998 6.218 67 HD3 ARG 10 HD1 ARG 10 10.858 -3.643 6.315 68 HE ARG 10 HE ARG 10 13.729 -3.575 6.340 69 HH11 ARG 10 HH21 ARG 10 10.861 -3.136 8.224 70 HH12 ARG 10 HH22 ARG 10 11.622 -3.531 9.729 71 HH21 ARG 10 HH11 ARG 10 14.736 -4.094 8.311 72 HH22 ARG 10 HH12 ARG 10 13.816 -4.073 9.778 73 H ARG 11 HN ARG 11 11.944 -4.764 2.374 74 HA ARG 11 HA ARG 11 14.814 -4.639 1.864 75 HB2 ARG 11 HB2 ARG 11 14.492 -7.217 2.115 76 HB3 ARG 11 HB1 ARG 11 14.347 -6.190 3.541 77 HG2 ARG 11 HG2 ARG 11 11.996 -6.323 3.553 78 HG3 ARG 11 HG1 ARG 11 11.926 -6.851 1.871 79 HD2 ARG 11 HD2 ARG 11 11.488 -8.730 3.413 80 HD3 ARG 11 HD1 ARG 11 12.961 -8.994 2.485 81 HE ARG 11 HE ARG 11 13.684 -7.729 4.881 82 HH11 ARG 11 HH21 ARG 11 12.276 -10.682 3.752 83 HH12 ARG 11 HH22 ARG 11 12.883 -11.635 5.065 84 HH21 ARG 11 HH11 ARG 11 14.483 -8.973 6.607 85 HH22 ARG 11 HH12 ARG 11 14.132 -10.667 6.681 86 H GLU 12 HN GLU 12 11.856 -5.476 0.235 87 HA GLU 12 HA GLU 12 12.971 -7.012 -1.885 88 HB2 GLU 12 HB2 GLU 12 10.539 -6.946 -1.255 89 HB3 GLU 12 HB1 GLU 12 10.459 -5.328 -1.952 90 HG2 GLU 12 HG2 GLU 12 11.205 -6.219 -4.127 91 HG3 GLU 12 HG1 GLU 12 11.291 -7.838 -3.437 92 H ILE 13 HN ILE 13 12.417 -3.563 -1.406 93 HA ILE 13 HA ILE 13 12.931 -2.762 -4.075 94 HB ILE 13 HB ILE 13 13.259 -1.266 -1.462 95 HG12 ILE 13 HG12 ILE 13 11.104 -0.818 -3.503 96 HG13 ILE 13 HG11 ILE 13 10.959 -2.182 -2.396 97 HG21 ILE 13 HG21 ILE 13 13.121 0.751 -2.983 98 HG22 ILE 13 HG22 ILE 13 13.339 -0.341 -4.350 99 HG23 ILE 13 HG23 ILE 13 14.614 -0.172 -3.144 100 HD11 ILE 13 HD11 ILE 13 10.028 0.252 -1.769 101 HD12 ILE 13 HD12 ILE 13 11.690 0.461 -1.218 102 HD13 ILE 13 HD13 ILE 13 10.694 -0.830 -0.545 103 H ALA 14 HN ALA 14 14.980 -3.064 -1.216 104 HA ALA 14 HA ALA 14 17.373 -2.113 -2.238 105 HB1 ALA 14 HB1 ALA 14 18.435 -3.593 -0.557 106 HB2 ALA 14 HB2 ALA 14 16.860 -4.325 -0.299 107 HB3 ALA 14 HB3 ALA 14 17.102 -2.631 0.092 108 H CYS 15 HN CYS 15 16.681 -5.524 -1.795 109 HA CYS 15 HA CYS 15 18.614 -6.689 -3.300 110 HB2 CYS 15 HB2 CYS 15 16.866 -7.845 -1.983 111 HB3 CYS 15 HB1 CYS 15 15.706 -7.532 -3.252 112 H GLY 16 HN GLY 16 15.566 -5.336 -4.436 113 HA2 GLY 16 HA2 GLY 16 15.700 -6.087 -7.107 114 HA3 GLY 16 HA1 GLY 16 14.907 -4.626 -6.521 115 H GLN 17 HN GLN 17 16.163 -2.688 -6.319 116 HA GLN 17 HA GLN 17 17.643 -1.914 -8.468 117 HB2 GLN 17 HB2 GLN 17 18.153 -0.929 -5.662 118 HB3 GLN 17 HB1 GLN 17 18.444 -0.054 -7.166 119 HG2 GLN 17 HG2 GLN 17 15.775 -0.850 -7.347 120 HG3 GLN 17 HG1 GLN 17 15.963 -0.368 -5.662 121 HE21 GLN 17 HE21 GLN 17 15.319 1.778 -5.459 122 HE22 GLN 17 HE22 GLN 17 15.697 3.015 -6.559 123 H CYS 18 HN CYS 18 18.802 -3.473 -5.538 124 HA CYS 18 HA CYS 18 21.542 -3.225 -5.897 125 HB2 CYS 18 HB2 CYS 18 20.369 -4.145 -3.873 126 HB3 CYS 18 HB1 CYS 18 20.158 -5.658 -4.754 127 H ARG 19 HN ARG 19 20.105 -6.437 -6.340 128 HA ARG 19 HA ARG 19 22.091 -7.254 -8.158 129 HB2 ARG 19 HB2 ARG 19 19.348 -8.440 -7.758 130 HB3 ARG 19 HB1 ARG 19 20.747 -9.244 -8.482 131 HG2 ARG 19 HG2 ARG 19 20.633 -8.161 -5.645 132 HG3 ARG 19 HG1 ARG 19 20.451 -9.857 -6.083 133 HD2 ARG 19 HD2 ARG 19 22.703 -9.866 -5.656 134 HD3 ARG 19 HD1 ARG 19 22.766 -9.377 -7.344 135 HE ARG 19 HE ARG 19 22.652 -6.990 -6.152 136 HH11 ARG 19 HH21 ARG 19 24.469 -9.846 -5.408 137 HH12 ARG 19 HH22 ARG 19 25.780 -8.984 -4.675 138 HH21 ARG 19 HH11 ARG 19 24.368 -5.859 -5.183 139 HH22 ARG 19 HH12 ARG 19 25.724 -6.731 -4.549 140 H ASP 20 HN ASP 20 19.927 -4.950 -8.728 141 HA ASP 20 HA ASP 20 19.375 -5.773 -11.504 142 HB2 ASP 20 HB2 ASP 20 17.416 -5.100 -10.196 143 HB3 ASP 20 HB1 ASP 20 18.186 -3.563 -9.844 144 H LYS 21 HN LYS 21 21.451 -3.825 -9.635 145 HA LYS 21 HA LYS 21 22.038 -2.095 -11.967 146 HB2 LYS 21 HB2 LYS 21 22.720 -0.402 -10.526 147 HB3 LYS 21 HB1 LYS 21 21.374 -1.112 -9.634 148 HG2 LYS 21 HG2 LYS 21 23.162 -2.641 -8.567 149 HG3 LYS 21 HG1 LYS 21 24.327 -1.467 -9.165 150 HD2 LYS 21 HD2 LYS 21 22.967 0.321 -7.993 151 HD3 LYS 21 HD1 LYS 21 22.051 -0.981 -7.234 152 HE2 LYS 21 HE2 LYS 21 23.665 -0.811 -5.624 153 HE3 LYS 21 HE1 LYS 21 24.578 -1.830 -6.736 154 HZ1 LYS 21 HZ1 LYS 21 24.930 0.727 -7.657 155 HZ2 LYS 21 HZ2 LYS 21 26.064 -0.207 -6.804 156 HZ3 LYS 21 HZ3 LYS 21 25.048 0.870 -5.971 157 H VAL 22 HN VAL 22 23.233 -4.548 -9.855 158 HA VAL 22 HA VAL 22 25.945 -4.249 -10.964 159 HB VAL 22 HB VAL 22 26.359 -5.963 -9.026 160 HG11 VAL 22 HG11 VAL 22 26.111 -2.997 -8.987 161 HG12 VAL 22 HG12 VAL 22 27.554 -3.995 -8.800 162 HG13 VAL 22 HG13 VAL 22 26.423 -3.815 -7.458 163 HG21 VAL 22 HG21 VAL 22 24.857 -6.068 -7.316 164 HG22 VAL 22 HG22 VAL 22 23.747 -5.784 -8.651 165 HG23 VAL 22 HG23 VAL 22 24.246 -4.443 -7.625 166 H LYS 23 HN LYS 23 23.359 -6.577 -10.262 167 HA LYS 23 HA LYS 23 24.658 -8.499 -12.090 168 HB2 LYS 23 HB2 LYS 23 22.627 -9.018 -9.913 169 HB3 LYS 23 HB1 LYS 23 23.356 -10.241 -10.951 170 HG2 LYS 23 HG2 LYS 23 24.882 -8.423 -9.058 171 HG3 LYS 23 HG1 LYS 23 24.491 -10.113 -8.746 172 HD2 LYS 23 HD2 LYS 23 25.677 -10.476 -11.094 173 HD3 LYS 23 HD1 LYS 23 26.458 -8.950 -10.680 174 HE2 LYS 23 HE2 LYS 23 26.508 -11.536 -9.110 175 HE3 LYS 23 HE1 LYS 23 27.876 -10.666 -9.806 176 HZ1 LYS 23 HZ1 LYS 23 28.035 -9.842 -7.737 177 HZ2 LYS 23 HZ2 LYS 23 26.411 -10.162 -7.354 178 HZ3 LYS 23 HZ3 LYS 23 26.817 -8.781 -8.257 179 H THR 24 HN THR 24 21.690 -9.651 -11.561 180 HA THR 24 HA THR 24 20.306 -8.040 -13.575 181 HB THR 24 HB THR 24 21.567 -9.768 -14.835 182 HG1 THR 24 HG1 THR 24 19.880 -10.128 -16.084 183 HG21 THR 24 HG21 THR 24 19.837 -11.949 -13.861 184 HG22 THR 24 HG22 THR 24 21.033 -11.384 -12.694 185 HG23 THR 24 HG23 THR 24 21.551 -11.969 -14.275 186 H ASP 25 HN ASP 25 18.070 -9.254 -14.002 187 HA ASP 25 HA ASP 25 16.731 -9.264 -11.473 188 HB2 ASP 25 HB2 ASP 25 14.726 -9.856 -12.867 189 HB3 ASP 25 HB1 ASP 25 15.563 -8.393 -13.384 190 H GLY 26 HN GLY 26 18.733 -11.482 -12.505 191 HA2 GLY 26 HA2 GLY 26 17.033 -13.810 -11.840 192 HA3 GLY 26 HA1 GLY 26 18.539 -13.885 -12.750 193 H TYR 27 HN TYR 27 19.288 -11.714 -10.520 194 HA TYR 27 HA TYR 27 20.363 -13.749 -8.675 195 HB2 TYR 27 HB2 TYR 27 21.397 -11.245 -9.801 196 HB3 TYR 27 HB1 TYR 27 21.644 -11.396 -8.061 197 HD1 TYR 27 HD2 TYR 27 22.785 -13.453 -7.143 198 HD2 TYR 27 HD1 TYR 27 22.628 -12.582 -11.347 199 HE1 TYR 27 HE2 TYR 27 24.641 -15.050 -7.544 200 HE2 TYR 27 HE1 TYR 27 24.483 -14.178 -11.747 201 HH TYR 27 HH TYR 27 25.685 -15.869 -10.816 202 H PHE 28 HN PHE 28 18.247 -11.016 -8.878 203 HA PHE 28 HA PHE 28 18.154 -10.022 -6.327 204 HB2 PHE 28 HB2 PHE 28 16.164 -9.079 -6.932 205 HB3 PHE 28 HB1 PHE 28 16.684 -9.615 -8.528 206 HD1 PHE 28 HD2 PHE 28 16.098 -12.155 -9.081 207 HD2 PHE 28 HD1 PHE 28 14.030 -9.713 -6.215 208 HE1 PHE 28 HE2 PHE 28 14.116 -13.635 -9.251 209 HE2 PHE 28 HE1 PHE 28 12.048 -11.192 -6.386 210 HZ PHE 28 HZ PHE 28 12.090 -13.153 -7.904 211 H TYR 29 HN TYR 29 17.473 -13.206 -7.335 212 HA TYR 29 HA TYR 29 15.628 -13.891 -5.253 213 HB2 TYR 29 HB2 TYR 29 16.350 -15.111 -7.547 214 HB3 TYR 29 HB1 TYR 29 17.351 -16.008 -6.406 215 HD1 TYR 29 HD1 TYR 29 13.847 -14.694 -6.715 216 HD2 TYR 29 HD2 TYR 29 16.406 -17.858 -5.338 217 HE1 TYR 29 HE1 TYR 29 11.858 -15.993 -6.005 218 HE2 TYR 29 HE2 TYR 29 14.418 -19.156 -4.628 219 HH TYR 29 HH TYR 29 11.317 -18.464 -5.634 220 H GLU 30 HN GLU 30 19.090 -13.699 -5.514 221 HA GLU 30 HA GLU 30 19.903 -15.373 -3.442 222 HB2 GLU 30 HB2 GLU 30 21.099 -13.344 -5.040 223 HB3 GLU 30 HB1 GLU 30 21.489 -13.003 -3.358 224 HG2 GLU 30 HG2 GLU 30 22.275 -15.329 -3.078 225 HG3 GLU 30 HG1 GLU 30 21.908 -15.649 -4.774 226 H CYS 31 HN CYS 31 19.154 -11.852 -3.266 227 HA CYS 31 HA CYS 31 19.387 -11.868 -0.421 228 HB2 CYS 31 HB2 CYS 31 17.816 -9.693 -1.160 229 HB3 CYS 31 HB1 CYS 31 19.534 -9.686 -0.830 230 H CYS 32 HN CYS 32 16.601 -11.591 -2.629 231 HA CYS 32 HA CYS 32 14.545 -11.422 -0.863 232 HB2 CYS 32 HB2 CYS 32 14.844 -12.386 -3.567 233 HB3 CYS 32 HB1 CYS 32 13.656 -13.353 -2.698 234 H THR 33 HN THR 33 16.644 -14.158 -1.372 235 HA THR 33 HA THR 33 14.929 -15.903 0.257 236 HB THR 33 HB THR 33 16.545 -17.676 -0.394 237 HG1 THR 33 HG1 THR 33 18.398 -16.551 -0.715 238 HG21 THR 33 HG21 THR 33 15.133 -15.991 -2.437 239 HG22 THR 33 HG22 THR 33 14.727 -17.605 -1.853 240 HG23 THR 33 HG23 THR 33 16.081 -17.383 -2.961 241 H SER 34 HN SER 34 18.264 -14.665 0.152 242 HA SER 34 HA SER 34 18.641 -15.513 2.944 243 HB2 SER 34 HB2 SER 34 20.359 -15.332 0.652 244 HB3 SER 34 HB1 SER 34 20.990 -14.303 1.934 245 HG SER 34 HG SER 34 21.745 -16.401 2.216 246 H ASP 35 HN ASP 35 18.888 -14.087 4.589 247 HA ASP 35 HA ASP 35 18.200 -11.313 4.060 248 HB2 ASP 35 HB2 ASP 35 18.820 -12.629 6.709 249 HB3 ASP 35 HB1 ASP 35 17.980 -11.102 6.448 250 H SER 36 HN SER 36 20.942 -13.162 5.329 251 HA SER 36 HA SER 36 22.603 -11.158 6.221 252 HB2 SER 36 HB2 SER 36 22.969 -13.740 6.061 253 HB3 SER 36 HB1 SER 36 23.725 -13.360 4.516 254 HG SER 36 HG SER 36 24.528 -11.656 6.456 255 H THR 37 HN THR 37 22.021 -12.176 2.884 256 HA THR 37 HA THR 37 23.999 -10.481 1.719 257 HB THR 37 HB THR 37 21.523 -11.731 0.508 258 HG1 THR 37 HG1 THR 37 24.185 -12.543 0.892 259 HG21 THR 37 HG21 THR 37 23.675 -10.007 -0.560 260 HG22 THR 37 HG22 THR 37 22.042 -10.280 -1.169 261 HG23 THR 37 HG23 THR 37 23.319 -11.447 -1.513 262 H PHE 38 HN PHE 38 20.463 -10.203 2.082 263 HA PHE 38 HA PHE 38 19.991 -7.828 0.785 264 HB2 PHE 38 HB2 PHE 38 17.986 -8.463 1.592 265 HB3 PHE 38 HB1 PHE 38 18.716 -9.320 2.950 266 HD1 PHE 38 HD1 PHE 38 17.712 -5.953 1.722 267 HD2 PHE 38 HD2 PHE 38 18.852 -8.331 5.112 268 HE1 PHE 38 HE1 PHE 38 17.083 -4.094 3.237 269 HE2 PHE 38 HE2 PHE 38 18.223 -6.472 6.628 270 HZ PHE 38 HZ PHE 38 17.338 -4.353 5.690 271 H LYS 39 HN LYS 39 21.373 -8.304 4.001 272 HA LYS 39 HA LYS 39 21.366 -5.590 4.802 273 HB2 LYS 39 HB2 LYS 39 22.162 -8.035 5.912 274 HB3 LYS 39 HB1 LYS 39 23.630 -7.059 5.850 275 HG2 LYS 39 HG2 LYS 39 22.383 -5.187 6.937 276 HG3 LYS 39 HG1 LYS 39 20.986 -6.252 7.094 277 HD2 LYS 39 HD2 LYS 39 22.896 -7.838 8.177 278 HD3 LYS 39 HD1 LYS 39 23.540 -6.252 8.604 279 HE2 LYS 39 HE2 LYS 39 22.057 -7.035 10.383 280 HE3 LYS 39 HE1 LYS 39 21.328 -5.648 9.575 281 HZ1 LYS 39 HZ1 LYS 39 20.365 -7.632 8.099 282 HZ2 LYS 39 HZ2 LYS 39 19.567 -7.020 9.468 283 HZ3 LYS 39 HZ3 LYS 39 20.503 -8.433 9.588 284 H LYS 40 HN LYS 40 23.404 -7.410 2.667 285 HA LYS 40 HA LYS 40 25.537 -5.429 2.690 286 HB2 LYS 40 HB2 LYS 40 25.660 -8.053 2.282 287 HB3 LYS 40 HB1 LYS 40 25.368 -7.564 0.613 288 HG2 LYS 40 HG2 LYS 40 27.272 -5.935 0.829 289 HG3 LYS 40 HG1 LYS 40 27.615 -6.623 2.416 290 HD2 LYS 40 HD2 LYS 40 28.124 -8.767 1.481 291 HD3 LYS 40 HD1 LYS 40 27.474 -8.309 -0.094 292 HE2 LYS 40 HE2 LYS 40 29.360 -7.172 -0.690 293 HE3 LYS 40 HE1 LYS 40 29.626 -6.560 0.943 294 HZ1 LYS 40 HZ1 LYS 40 31.308 -8.195 0.172 295 HZ2 LYS 40 HZ2 LYS 40 30.090 -9.379 0.143 296 HZ3 LYS 40 HZ3 LYS 40 30.526 -8.640 1.609 297 H CYS 41 HN CYS 41 22.695 -6.219 0.852 298 HA CYS 41 HA CYS 41 23.431 -4.639 -1.455 299 HB2 CYS 41 HB2 CYS 41 21.125 -6.301 -0.617 300 HB3 CYS 41 HB1 CYS 41 20.771 -4.981 -1.731 301 H GLN 42 HN GLN 42 21.092 -4.308 1.209 302 HA GLN 42 HA GLN 42 20.052 -1.813 0.531 303 HB2 GLN 42 HB2 GLN 42 19.236 -1.704 2.768 304 HB3 GLN 42 HB1 GLN 42 19.240 -3.411 2.334 305 HG2 GLN 42 HG2 GLN 42 20.268 -3.495 4.415 306 HG3 GLN 42 HG1 GLN 42 21.667 -3.376 3.354 307 HE21 GLN 42 HE21 GLN 42 22.794 -2.411 5.291 308 HE22 GLN 42 HE22 GLN 42 22.561 -0.766 5.639 309 H ASP 43 HN ASP 43 23.027 -2.711 2.169 310 HA ASP 43 HA ASP 43 23.736 -0.225 3.258 311 HB2 ASP 43 HB2 ASP 43 24.958 -2.249 3.822 312 HB3 ASP 43 HB1 ASP 43 25.496 -2.426 2.153 313 H LEU 44 HN LEU 44 23.990 -1.495 -0.000 314 HA LEU 44 HA LEU 44 25.585 0.734 -0.940 315 HB2 LEU 44 HB2 LEU 44 24.662 -1.830 -1.993 316 HB3 LEU 44 HB1 LEU 44 24.578 -0.527 -3.177 317 HG LEU 44 HG LEU 44 27.028 -1.080 -1.486 318 HD11 LEU 44 HD11 LEU 44 26.678 -3.024 -2.876 319 HD12 LEU 44 HD12 LEU 44 27.955 -2.058 -3.614 320 HD13 LEU 44 HD13 LEU 44 26.323 -2.016 -4.280 321 HD21 LEU 44 HD21 LEU 44 26.251 1.083 -3.159 322 HD22 LEU 44 HD22 LEU 44 27.486 0.180 -4.037 323 HD23 LEU 44 HD23 LEU 44 27.830 0.804 -2.424 324 H LEU 45 HN LEU 45 22.254 -0.449 -1.449 325 HA LEU 45 HA LEU 45 21.393 1.616 -3.102 326 HB2 LEU 45 HB2 LEU 45 20.176 -0.502 -1.518 327 HB3 LEU 45 HB1 LEU 45 19.180 0.949 -1.526 328 HG LEU 45 HG LEU 45 18.566 -0.510 -3.390 329 HD11 LEU 45 HD11 LEU 45 19.927 1.525 -4.984 330 HD12 LEU 45 HD12 LEU 45 19.132 2.192 -3.561 331 HD13 LEU 45 HD13 LEU 45 18.202 1.257 -4.732 332 HD21 LEU 45 HD21 LEU 45 20.694 -0.351 -5.186 333 HD22 LEU 45 HD22 LEU 45 20.196 -1.780 -4.277 334 HD23 LEU 45 HD23 LEU 45 21.466 -0.734 -3.646 335 H HIS 46 HN HIS 46 21.214 1.337 0.442 336 HA HIS 46 HA HIS 46 20.689 2.943 2.039 337 HB2 HIS 46 HB2 HIS 46 23.028 3.562 0.766 338 HB3 HIS 46 HB1 HIS 46 22.111 5.052 0.552 339 HD1 HIS 46 HD1 HIS 46 24.343 3.570 2.867 340 HD2 HIS 46 HD2 HIS 46 20.810 5.740 3.286 341 HE1 HIS 46 HE1 HIS 46 24.319 4.444 5.243 Start of MODEL 2 1 HA ALA 1 HA ALA 1 9.318 -19.681 8.184 2 HB1 ALA 1 HB1 ALA 1 11.433 -19.626 9.696 3 HB2 ALA 1 HB2 ALA 1 10.676 -18.091 9.266 4 HB3 ALA 1 HB3 ALA 1 12.130 -18.625 8.422 5 H ASP 2 HN ASP 2 8.466 -18.545 6.563 6 HA ASP 2 HA ASP 2 10.155 -17.920 4.226 7 HB2 ASP 2 HB2 ASP 2 7.141 -18.031 4.480 8 HB3 ASP 2 HB1 ASP 2 8.034 -17.684 3.000 9 H ASN 3 HN ASN 3 11.110 -16.013 4.934 10 HA ASN 3 HA ASN 3 9.323 -13.689 4.927 11 HB2 ASN 3 HB2 ASN 3 10.548 -14.714 7.295 12 HB3 ASN 3 HB1 ASN 3 11.317 -13.181 6.890 13 HD21 ASN 3 HD21 ASN 3 8.638 -14.512 8.468 14 HD22 ASN 3 HD22 ASN 3 7.650 -13.130 8.488 15 H LYS 4 HN LYS 4 10.103 -12.817 3.076 16 HA LYS 4 HA LYS 4 12.809 -11.751 3.128 17 HB2 LYS 4 HB2 LYS 4 13.096 -12.670 0.700 18 HB3 LYS 4 HB1 LYS 4 13.451 -13.723 2.065 19 HG2 LYS 4 HG2 LYS 4 11.292 -14.789 1.906 20 HG3 LYS 4 HG1 LYS 4 10.752 -13.627 0.695 21 HD2 LYS 4 HD2 LYS 4 12.486 -14.432 -0.862 22 HD3 LYS 4 HD1 LYS 4 13.031 -15.597 0.345 23 HE2 LYS 4 HE2 LYS 4 11.590 -16.949 -0.848 24 HE3 LYS 4 HE1 LYS 4 10.446 -16.273 0.310 25 HZ1 LYS 4 HZ1 LYS 4 9.759 -16.172 -2.083 26 HZ2 LYS 4 HZ2 LYS 4 10.993 -15.028 -2.322 27 HZ3 LYS 4 HZ3 LYS 4 9.715 -14.692 -1.254 28 H CYS 5 HN CYS 5 11.495 -12.130 0.029 29 HA CYS 5 HA CYS 5 11.130 -9.331 -0.327 30 HB2 CYS 5 HB2 CYS 5 9.784 -11.029 -2.285 31 HB3 CYS 5 HB1 CYS 5 11.082 -9.862 -2.509 32 H GLU 6 HN GLU 6 9.202 -11.635 1.144 33 HA GLU 6 HA GLU 6 6.688 -10.271 0.450 34 HB2 GLU 6 HB2 GLU 6 5.565 -12.169 1.461 35 HB3 GLU 6 HB1 GLU 6 6.769 -12.758 0.313 36 HG2 GLU 6 HG2 GLU 6 8.203 -12.531 2.680 37 HG3 GLU 6 HG1 GLU 6 6.632 -13.130 3.211 38 H ASN 7 HN ASN 7 9.080 -9.752 2.536 39 HA ASN 7 HA ASN 7 7.580 -9.498 5.003 40 HB2 ASN 7 HB2 ASN 7 10.026 -10.050 4.930 41 HB3 ASN 7 HB1 ASN 7 10.326 -8.418 4.334 42 HD21 ASN 7 HD21 ASN 7 9.971 -6.619 5.826 43 HD22 ASN 7 HD22 ASN 7 9.807 -6.882 7.495 44 H SER 8 HN SER 8 9.398 -7.133 3.030 45 HA SER 8 HA SER 8 7.190 -5.238 3.233 46 HB2 SER 8 HB2 SER 8 9.534 -5.100 4.931 47 HB3 SER 8 HB1 SER 8 9.414 -3.676 3.902 48 HG SER 8 HG SER 8 8.013 -3.089 5.371 49 H LEU 9 HN LEU 9 7.446 -3.409 1.815 50 HA LEU 9 HA LEU 9 8.547 -4.059 -0.698 51 HB2 LEU 9 HB2 LEU 9 8.197 -1.522 -1.099 52 HB3 LEU 9 HB1 LEU 9 6.782 -2.518 -0.759 53 HG LEU 9 HG LEU 9 8.105 -1.478 1.656 54 HD11 LEU 9 HD11 LEU 9 8.501 0.458 0.249 55 HD12 LEU 9 HD12 LEU 9 7.158 0.815 1.335 56 HD13 LEU 9 HD13 LEU 9 6.844 0.406 -0.352 57 HD21 LEU 9 HD21 LEU 9 5.832 -1.147 2.347 58 HD22 LEU 9 HD22 LEU 9 5.847 -2.653 1.431 59 HD23 LEU 9 HD23 LEU 9 5.254 -1.172 0.680 60 H ARG 10 HN ARG 10 9.788 -2.191 2.019 61 HA ARG 10 HA ARG 10 11.956 -0.916 0.824 62 HB2 ARG 10 HB2 ARG 10 11.629 -2.081 3.595 63 HB3 ARG 10 HB1 ARG 10 13.026 -1.119 3.113 64 HG2 ARG 10 HG2 ARG 10 10.453 0.098 2.381 65 HG3 ARG 10 HG1 ARG 10 10.676 -0.087 4.121 66 HD2 ARG 10 HD2 ARG 10 12.796 1.098 4.025 67 HD3 ARG 10 HD1 ARG 10 12.715 1.173 2.267 68 HE ARG 10 HE ARG 10 10.402 2.383 3.375 69 HH11 ARG 10 HH21 ARG 10 13.815 2.815 3.007 70 HH12 ARG 10 HH22 ARG 10 13.738 4.546 3.028 71 HH21 ARG 10 HH11 ARG 10 10.292 4.650 3.404 72 HH22 ARG 10 HH12 ARG 10 11.743 5.585 3.254 73 H ARG 11 HN ARG 11 11.795 -4.176 2.254 74 HA ARG 11 HA ARG 11 14.488 -4.870 1.729 75 HB2 ARG 11 HB2 ARG 11 12.281 -6.905 1.791 76 HB3 ARG 11 HB1 ARG 11 13.917 -7.018 2.439 77 HG2 ARG 11 HG2 ARG 11 12.967 -4.900 3.866 78 HG3 ARG 11 HG1 ARG 11 11.487 -5.838 3.648 79 HD2 ARG 11 HD2 ARG 11 12.753 -7.858 4.466 80 HD3 ARG 11 HD1 ARG 11 14.098 -6.789 4.852 81 HE ARG 11 HE ARG 11 11.729 -5.798 6.051 82 HH11 ARG 11 HH21 ARG 11 14.017 -8.387 6.234 83 HH12 ARG 11 HH22 ARG 11 13.799 -8.642 7.934 84 HH21 ARG 11 HH11 ARG 11 11.438 -6.128 8.280 85 HH22 ARG 11 HH12 ARG 11 12.340 -7.363 9.092 86 H GLU 12 HN GLU 12 11.502 -5.283 -0.124 87 HA GLU 12 HA GLU 12 12.572 -6.880 -2.194 88 HB2 GLU 12 HB2 GLU 12 10.124 -6.456 -1.734 89 HB3 GLU 12 HB1 GLU 12 10.333 -4.867 -2.471 90 HG2 GLU 12 HG2 GLU 12 11.061 -5.891 -4.563 91 HG3 GLU 12 HG1 GLU 12 10.981 -7.496 -3.837 92 H ILE 13 HN ILE 13 12.398 -3.376 -1.741 93 HA ILE 13 HA ILE 13 13.421 -2.748 -4.351 94 HB ILE 13 HB ILE 13 13.236 -1.076 -1.837 95 HG12 ILE 13 HG12 ILE 13 11.483 -0.839 -4.271 96 HG13 ILE 13 HG11 ILE 13 11.124 -2.066 -3.055 97 HG21 ILE 13 HG21 ILE 13 13.373 0.812 -3.538 98 HG22 ILE 13 HG22 ILE 13 13.880 -0.398 -4.717 99 HG23 ILE 13 HG23 ILE 13 14.871 -0.086 -3.293 100 HD11 ILE 13 HD11 ILE 13 10.090 0.362 -2.851 101 HD12 ILE 13 HD12 ILE 13 11.662 0.740 -2.150 102 HD13 ILE 13 HD13 ILE 13 10.641 -0.497 -1.413 103 H ALA 14 HN ALA 14 14.792 -2.886 -1.075 104 HA ALA 14 HA ALA 14 17.348 -1.987 -1.549 105 HB1 ALA 14 HB1 ALA 14 18.046 -3.519 0.289 106 HB2 ALA 14 HB2 ALA 14 16.423 -4.175 0.255 107 HB3 ALA 14 HB3 ALA 14 16.659 -2.493 0.678 108 H CYS 15 HN CYS 15 16.700 -5.447 -1.248 109 HA CYS 15 HA CYS 15 19.002 -6.329 -2.546 110 HB2 CYS 15 HB2 CYS 15 16.473 -7.503 -1.685 111 HB3 CYS 15 HB1 CYS 15 17.137 -8.288 -3.122 112 H GLY 16 HN GLY 16 15.857 -5.441 -3.867 113 HA2 GLY 16 HA2 GLY 16 15.993 -6.415 -6.439 114 HA3 GLY 16 HA1 GLY 16 15.249 -4.873 -6.020 115 H GLN 17 HN GLN 17 16.512 -2.953 -6.132 116 HA GLN 17 HA GLN 17 18.018 -2.505 -8.334 117 HB2 GLN 17 HB2 GLN 17 18.469 -1.204 -5.653 118 HB3 GLN 17 HB1 GLN 17 18.975 -0.557 -7.214 119 HG2 GLN 17 HG2 GLN 17 16.183 -1.269 -7.320 120 HG3 GLN 17 HG1 GLN 17 16.472 -0.205 -5.944 121 HE21 GLN 17 HE21 GLN 17 18.140 1.702 -6.642 122 HE22 GLN 17 HE22 GLN 17 17.731 2.469 -8.100 123 H CYS 18 HN CYS 18 19.197 -3.698 -5.226 124 HA CYS 18 HA CYS 18 21.902 -3.547 -5.492 125 HB2 CYS 18 HB2 CYS 18 20.337 -4.769 -3.718 126 HB3 CYS 18 HB1 CYS 18 20.820 -6.190 -4.639 127 H ARG 19 HN ARG 19 19.871 -6.137 -6.842 128 HA ARG 19 HA ARG 19 22.144 -6.981 -8.505 129 HB2 ARG 19 HB2 ARG 19 19.568 -8.403 -7.841 130 HB3 ARG 19 HB1 ARG 19 20.843 -9.051 -8.868 131 HG2 ARG 19 HG2 ARG 19 21.255 -8.179 -5.987 132 HG3 ARG 19 HG1 ARG 19 20.964 -9.847 -6.481 133 HD2 ARG 19 HD2 ARG 19 23.257 -9.871 -6.510 134 HD3 ARG 19 HD1 ARG 19 22.989 -9.302 -8.149 135 HE ARG 19 HE ARG 19 23.125 -6.973 -6.878 136 HH11 ARG 19 HH21 ARG 19 25.014 -9.855 -6.541 137 HH12 ARG 19 HH22 ARG 19 26.449 -9.019 -6.061 138 HH21 ARG 19 HH11 ARG 19 25.004 -5.873 -6.245 139 HH22 ARG 19 HH12 ARG 19 26.446 -6.767 -5.893 140 H ASP 20 HN ASP 20 19.836 -4.813 -8.776 141 HA ASP 20 HA ASP 20 19.032 -5.561 -11.518 142 HB2 ASP 20 HB2 ASP 20 17.574 -4.485 -9.387 143 HB3 ASP 20 HB1 ASP 20 17.794 -3.152 -10.523 144 H LYS 21 HN LYS 21 21.319 -3.759 -9.872 145 HA LYS 21 HA LYS 21 21.523 -1.783 -12.076 146 HB2 LYS 21 HB2 LYS 21 22.641 -0.318 -10.569 147 HB3 LYS 21 HB1 LYS 21 21.233 -0.938 -9.707 148 HG2 LYS 21 HG2 LYS 21 22.641 -2.623 -8.608 149 HG3 LYS 21 HG1 LYS 21 24.061 -2.015 -9.449 150 HD2 LYS 21 HD2 LYS 21 24.164 -0.977 -7.352 151 HD3 LYS 21 HD1 LYS 21 23.519 0.257 -8.434 152 HE2 LYS 21 HE2 LYS 21 21.314 -0.012 -7.613 153 HE3 LYS 21 HE1 LYS 21 21.690 -1.557 -6.854 154 HZ1 LYS 21 HZ1 LYS 21 22.321 1.154 -5.962 155 HZ2 LYS 21 HZ2 LYS 21 23.391 -0.102 -5.555 156 HZ3 LYS 21 HZ3 LYS 21 21.765 -0.178 -5.073 157 H VAL 22 HN VAL 22 22.976 -4.513 -10.586 158 HA VAL 22 HA VAL 22 25.438 -4.082 -12.154 159 HB VAL 22 HB VAL 22 26.239 -5.842 -10.341 160 HG11 VAL 22 HG11 VAL 22 26.810 -3.698 -8.905 161 HG12 VAL 22 HG12 VAL 22 26.104 -2.855 -10.282 162 HG13 VAL 22 HG13 VAL 22 27.514 -3.890 -10.511 163 HG21 VAL 22 HG21 VAL 22 24.190 -4.246 -8.882 164 HG22 VAL 22 HG22 VAL 22 25.295 -5.378 -8.150 165 HG23 VAL 22 HG23 VAL 22 24.044 -5.935 -9.251 166 H LYS 23 HN LYS 23 23.156 -6.486 -10.878 167 HA LYS 23 HA LYS 23 23.999 -8.312 -13.027 168 HB2 LYS 23 HB2 LYS 23 22.585 -9.047 -10.469 169 HB3 LYS 23 HB1 LYS 23 23.274 -10.154 -11.654 170 HG2 LYS 23 HG2 LYS 23 24.852 -8.123 -10.045 171 HG3 LYS 23 HG1 LYS 23 24.773 -9.850 -9.695 172 HD2 LYS 23 HD2 LYS 23 25.522 -10.073 -12.227 173 HD3 LYS 23 HD1 LYS 23 26.128 -8.438 -11.964 174 HE2 LYS 23 HE2 LYS 23 27.259 -9.355 -9.858 175 HE3 LYS 23 HE1 LYS 23 26.884 -10.962 -10.483 176 HZ1 LYS 23 HZ1 LYS 23 28.123 -9.119 -12.356 177 HZ2 LYS 23 HZ2 LYS 23 28.393 -10.780 -12.122 178 HZ3 LYS 23 HZ3 LYS 23 29.110 -9.647 -11.080 179 H THR 24 HN THR 24 21.486 -9.858 -12.070 180 HA THR 24 HA THR 24 19.404 -8.199 -13.312 181 HB THR 24 HB THR 24 20.220 -9.420 -15.201 182 HG1 THR 24 HG1 THR 24 18.229 -11.200 -14.593 183 HG21 THR 24 HG21 THR 24 19.886 -12.135 -14.537 184 HG22 THR 24 HG22 THR 24 20.779 -11.423 -13.195 185 HG23 THR 24 HG23 THR 24 21.406 -11.295 -14.837 186 H ASP 25 HN ASP 25 17.332 -9.855 -13.407 187 HA ASP 25 HA ASP 25 16.475 -10.117 -10.755 188 HB2 ASP 25 HB2 ASP 25 14.803 -11.810 -11.954 189 HB3 ASP 25 HB1 ASP 25 14.686 -10.068 -12.192 190 H GLY 26 HN GLY 26 17.709 -12.577 -13.012 191 HA2 GLY 26 HA2 GLY 26 17.395 -14.900 -11.631 192 HA3 GLY 26 HA1 GLY 26 18.849 -14.544 -12.559 193 H TYR 27 HN TYR 27 19.514 -12.242 -10.806 194 HA TYR 27 HA TYR 27 20.875 -13.773 -8.730 195 HB2 TYR 27 HB2 TYR 27 21.215 -11.107 -10.003 196 HB3 TYR 27 HB1 TYR 27 21.737 -11.267 -8.323 197 HD1 TYR 27 HD1 TYR 27 22.124 -12.704 -11.734 198 HD2 TYR 27 HD2 TYR 27 23.706 -12.479 -7.747 199 HE1 TYR 27 HE1 TYR 27 24.178 -13.875 -12.483 200 HE2 TYR 27 HE2 TYR 27 25.760 -13.650 -8.496 201 HH TYR 27 HH TYR 27 26.225 -15.380 -10.595 202 H PHE 28 HN PHE 28 18.594 -11.068 -9.011 203 HA PHE 28 HA PHE 28 18.322 -10.199 -6.451 204 HB2 PHE 28 HB2 PHE 28 16.937 -9.210 -8.103 205 HB3 PHE 28 HB1 PHE 28 16.196 -10.755 -8.517 206 HD1 PHE 28 HD1 PHE 28 16.689 -8.497 -5.559 207 HD2 PHE 28 HD2 PHE 28 14.126 -11.292 -7.579 208 HE1 PHE 28 HE1 PHE 28 14.923 -8.107 -3.862 209 HE2 PHE 28 HE2 PHE 28 12.362 -10.901 -5.882 210 HZ PHE 28 HZ PHE 28 12.762 -9.307 -4.025 211 H TYR 29 HN TYR 29 16.970 -13.189 -7.795 212 HA TYR 29 HA TYR 29 15.401 -14.038 -5.675 213 HB2 TYR 29 HB2 TYR 29 16.138 -15.135 -8.040 214 HB3 TYR 29 HB1 TYR 29 17.085 -16.126 -6.930 215 HD1 TYR 29 HD1 TYR 29 13.674 -15.066 -7.882 216 HD2 TYR 29 HD2 TYR 29 16.021 -17.621 -5.347 217 HE1 TYR 29 HE1 TYR 29 11.634 -16.341 -7.277 218 HE2 TYR 29 HE2 TYR 29 13.981 -18.895 -4.742 219 HH TYR 29 HH TYR 29 10.990 -18.478 -6.419 220 H GLU 30 HN GLU 30 18.886 -14.626 -6.166 221 HA GLU 30 HA GLU 30 19.285 -16.036 -3.748 222 HB2 GLU 30 HB2 GLU 30 21.342 -14.394 -5.234 223 HB3 GLU 30 HB1 GLU 30 21.627 -15.773 -4.177 224 HG2 GLU 30 HG2 GLU 30 20.007 -16.998 -5.876 225 HG3 GLU 30 HG1 GLU 30 20.548 -15.720 -6.964 226 H CYS 31 HN CYS 31 19.336 -12.621 -4.573 227 HA CYS 31 HA CYS 31 20.564 -11.652 -2.218 228 HB2 CYS 31 HB2 CYS 31 20.030 -10.403 -4.414 229 HB3 CYS 31 HB1 CYS 31 18.425 -10.158 -3.730 230 H CYS 32 HN CYS 32 17.200 -12.395 -3.022 231 HA CYS 32 HA CYS 32 16.078 -11.335 -0.628 232 HB2 CYS 32 HB2 CYS 32 15.132 -12.591 -3.004 233 HB3 CYS 32 HB1 CYS 32 14.475 -13.470 -1.624 234 H THR 33 HN THR 33 17.296 -14.508 -1.572 235 HA THR 33 HA THR 33 16.458 -15.778 0.885 236 HB THR 33 HB THR 33 17.675 -17.721 0.039 237 HG1 THR 33 HG1 THR 33 19.227 -17.475 -1.340 238 HG21 THR 33 HG21 THR 33 15.978 -16.186 -1.928 239 HG22 THR 33 HG22 THR 33 15.509 -17.536 -0.898 240 HG23 THR 33 HG23 THR 33 16.566 -17.807 -2.284 241 H SER 34 HN SER 34 19.658 -15.076 -0.544 242 HA SER 34 HA SER 34 21.215 -15.710 1.669 243 HB2 SER 34 HB2 SER 34 22.218 -15.259 -0.497 244 HB3 SER 34 HB1 SER 34 21.664 -13.588 -0.443 245 HG SER 34 HG SER 34 22.972 -14.074 1.802 246 H ASP 35 HN ASP 35 21.720 -14.719 3.547 247 HA ASP 35 HA ASP 35 20.173 -12.369 4.301 248 HB2 ASP 35 HB2 ASP 35 21.787 -14.429 5.728 249 HB3 ASP 35 HB1 ASP 35 21.602 -12.854 6.497 250 H SER 36 HN SER 36 23.601 -13.312 4.087 251 HA SER 36 HA SER 36 24.757 -10.919 4.926 252 HB2 SER 36 HB2 SER 36 26.062 -12.956 4.550 253 HB3 SER 36 HB1 SER 36 25.749 -12.854 2.819 254 HG SER 36 HG SER 36 26.663 -10.509 3.538 255 H THR 37 HN THR 37 23.384 -11.817 1.813 256 HA THR 37 HA THR 37 24.378 -9.564 0.368 257 HB THR 37 HB THR 37 21.839 -10.989 -0.359 258 HG1 THR 37 HG1 THR 37 23.558 -12.430 -1.419 259 HG21 THR 37 HG21 THR 37 22.752 -9.130 -1.750 260 HG22 THR 37 HG22 THR 37 22.700 -10.665 -2.614 261 HG23 THR 37 HG23 THR 37 24.230 -10.062 -1.974 262 H PHE 38 HN PHE 38 21.168 -10.317 1.738 263 HA PHE 38 HA PHE 38 19.916 -7.898 1.125 264 HB2 PHE 38 HB2 PHE 38 18.461 -9.542 1.892 265 HB3 PHE 38 HB1 PHE 38 19.500 -9.970 3.251 266 HD1 PHE 38 HD1 PHE 38 17.514 -7.090 1.900 267 HD2 PHE 38 HD2 PHE 38 19.019 -9.115 5.377 268 HE1 PHE 38 HE1 PHE 38 16.250 -5.530 3.357 269 HE2 PHE 38 HE2 PHE 38 17.757 -7.556 6.832 270 HZ PHE 38 HZ PHE 38 16.373 -5.763 5.823 271 H LYS 39 HN LYS 39 21.915 -8.797 3.903 272 HA LYS 39 HA LYS 39 21.533 -6.320 5.293 273 HB2 LYS 39 HB2 LYS 39 22.398 -8.702 6.117 274 HB3 LYS 39 HB1 LYS 39 23.966 -7.984 5.748 275 HG2 LYS 39 HG2 LYS 39 23.381 -6.028 7.167 276 HG3 LYS 39 HG1 LYS 39 21.855 -6.812 7.582 277 HD2 LYS 39 HD2 LYS 39 23.226 -8.786 8.411 278 HD3 LYS 39 HD1 LYS 39 24.652 -7.765 8.233 279 HE2 LYS 39 HE2 LYS 39 22.234 -7.151 9.957 280 HE3 LYS 39 HE1 LYS 39 23.819 -7.657 10.541 281 HZ1 LYS 39 HZ1 LYS 39 24.792 -5.671 9.834 282 HZ2 LYS 39 HZ2 LYS 39 23.324 -5.187 10.540 283 HZ3 LYS 39 HZ3 LYS 39 23.474 -5.257 8.849 284 H LYS 40 HN LYS 40 23.727 -7.481 2.848 285 HA LYS 40 HA LYS 40 25.478 -5.157 3.138 286 HB2 LYS 40 HB2 LYS 40 26.531 -7.315 2.694 287 HB3 LYS 40 HB1 LYS 40 25.565 -7.506 1.229 288 HG2 LYS 40 HG2 LYS 40 26.680 -5.734 0.123 289 HG3 LYS 40 HG1 LYS 40 27.352 -5.107 1.629 290 HD2 LYS 40 HD2 LYS 40 28.700 -7.205 1.844 291 HD3 LYS 40 HD1 LYS 40 28.097 -7.710 0.265 292 HE2 LYS 40 HE2 LYS 40 28.993 -5.472 -0.615 293 HE3 LYS 40 HE1 LYS 40 29.855 -5.341 0.918 294 HZ1 LYS 40 HZ1 LYS 40 31.184 -7.120 0.433 295 HZ2 LYS 40 HZ2 LYS 40 30.965 -6.478 -1.125 296 HZ3 LYS 40 HZ3 LYS 40 30.064 -7.829 -0.625 297 H CYS 41 HN CYS 41 22.645 -5.987 1.519 298 HA CYS 41 HA CYS 41 23.151 -4.214 -0.760 299 HB2 CYS 41 HB2 CYS 41 21.017 -6.201 -0.062 300 HB3 CYS 41 HB1 CYS 41 20.695 -4.956 -1.269 301 H GLN 42 HN GLN 42 21.104 -4.475 2.112 302 HA GLN 42 HA GLN 42 19.450 -2.255 1.669 303 HB2 GLN 42 HB2 GLN 42 19.103 -2.261 4.105 304 HB3 GLN 42 HB1 GLN 42 19.036 -3.898 3.449 305 HG2 GLN 42 HG2 GLN 42 21.458 -4.171 4.057 306 HG3 GLN 42 HG1 GLN 42 21.385 -2.602 4.858 307 HE21 GLN 42 HE21 GLN 42 18.389 -4.207 5.115 308 HE22 GLN 42 HE22 GLN 42 18.599 -4.846 6.673 309 H ASP 43 HN ASP 43 22.734 -2.512 2.902 310 HA ASP 43 HA ASP 43 22.909 0.199 3.831 311 HB2 ASP 43 HB2 ASP 43 24.512 -2.101 3.949 312 HB3 ASP 43 HB1 ASP 43 25.453 -0.919 3.039 313 H LEU 44 HN LEU 44 23.156 -1.336 0.745 314 HA LEU 44 HA LEU 44 24.677 0.768 -0.518 315 HB2 LEU 44 HB2 LEU 44 23.586 -1.836 -1.262 316 HB3 LEU 44 HB1 LEU 44 23.384 -0.632 -2.533 317 HG LEU 44 HG LEU 44 26.009 -1.090 -1.100 318 HD11 LEU 44 HD11 LEU 44 26.625 -2.235 -3.306 319 HD12 LEU 44 HD12 LEU 44 24.895 -2.313 -3.633 320 HD13 LEU 44 HD13 LEU 44 25.565 -3.147 -2.231 321 HD21 LEU 44 HD21 LEU 44 25.063 0.940 -2.823 322 HD22 LEU 44 HD22 LEU 44 26.115 -0.073 -3.809 323 HD23 LEU 44 HD23 LEU 44 26.730 0.659 -2.329 324 H LEU 45 HN LEU 45 21.276 -0.289 -0.551 325 HA LEU 45 HA LEU 45 20.479 2.008 -2.090 326 HB2 LEU 45 HB2 LEU 45 19.084 -0.360 -0.891 327 HB3 LEU 45 HB1 LEU 45 18.118 1.033 -1.368 328 HG LEU 45 HG LEU 45 18.288 -0.637 -3.199 329 HD11 LEU 45 HD11 LEU 45 18.362 1.001 -4.776 330 HD12 LEU 45 HD12 LEU 45 19.965 1.531 -4.287 331 HD13 LEU 45 HD13 LEU 45 18.542 2.080 -3.397 332 HD21 LEU 45 HD21 LEU 45 20.433 -1.089 -4.248 333 HD22 LEU 45 HD22 LEU 45 20.557 -1.469 -2.531 334 HD23 LEU 45 HD23 LEU 45 21.244 0.033 -3.165 335 H HIS 46 HN HIS 46 20.050 0.909 1.235 336 HA HIS 46 HA HIS 46 19.603 2.076 3.163 337 HB2 HIS 46 HB2 HIS 46 21.428 3.579 2.021 338 HB3 HIS 46 HB1 HIS 46 20.073 4.671 1.742 339 HD1 HIS 46 HD1 HIS 46 21.114 2.538 4.741 340 HD2 HIS 46 HD2 HIS 46 20.000 6.453 3.841 341 HE1 HIS 46 HE1 HIS 46 21.102 3.802 6.937 Start of MODEL 3 1 HA ALA 1 HA ALA 1 13.181 -17.044 8.525 2 HB1 ALA 1 HB1 ALA 1 12.175 -19.750 9.435 3 HB2 ALA 1 HB2 ALA 1 13.456 -18.873 10.272 4 HB3 ALA 1 HB3 ALA 1 13.687 -19.387 8.602 5 H ASP 2 HN ASP 2 10.352 -16.344 8.137 6 HA ASP 2 HA ASP 2 9.974 -17.737 5.588 7 HB2 ASP 2 HB2 ASP 2 8.075 -17.800 7.898 8 HB3 ASP 2 HB1 ASP 2 7.424 -17.741 6.261 9 H ASN 3 HN ASN 3 10.596 -14.970 6.845 10 HA ASN 3 HA ASN 3 8.631 -13.472 5.216 11 HB2 ASN 3 HB2 ASN 3 9.814 -12.812 7.906 12 HB3 ASN 3 HB1 ASN 3 9.141 -11.566 6.856 13 HD21 ASN 3 HD21 ASN 3 8.052 -14.928 7.607 14 HD22 ASN 3 HD22 ASN 3 6.487 -14.465 8.074 15 H LYS 4 HN LYS 4 10.390 -14.003 3.583 16 HA LYS 4 HA LYS 4 12.685 -12.165 3.812 17 HB2 LYS 4 HB2 LYS 4 12.192 -14.479 1.927 18 HB3 LYS 4 HB1 LYS 4 13.628 -13.461 1.930 19 HG2 LYS 4 HG2 LYS 4 12.937 -14.545 4.576 20 HG3 LYS 4 HG1 LYS 4 13.354 -15.778 3.385 21 HD2 LYS 4 HD2 LYS 4 15.492 -14.816 2.982 22 HD3 LYS 4 HD1 LYS 4 15.057 -13.317 3.803 23 HE2 LYS 4 HE2 LYS 4 16.536 -14.968 5.111 24 HE3 LYS 4 HE1 LYS 4 15.109 -14.348 5.942 25 HZ1 LYS 4 HZ1 LYS 4 14.609 -16.714 4.382 26 HZ2 LYS 4 HZ2 LYS 4 14.172 -16.355 5.984 27 HZ3 LYS 4 HZ3 LYS 4 15.721 -16.960 5.640 28 H CYS 5 HN CYS 5 11.744 -13.260 0.701 29 HA CYS 5 HA CYS 5 11.448 -10.593 -0.281 30 HB2 CYS 5 HB2 CYS 5 11.888 -13.149 -1.386 31 HB3 CYS 5 HB1 CYS 5 10.378 -12.566 -2.087 32 H GLU 6 HN GLU 6 9.475 -11.901 1.742 33 HA GLU 6 HA GLU 6 7.042 -10.935 0.374 34 HB2 GLU 6 HB2 GLU 6 5.762 -12.690 1.582 35 HB3 GLU 6 HB1 GLU 6 6.921 -13.365 0.435 36 HG2 GLU 6 HG2 GLU 6 8.335 -13.038 2.855 37 HG3 GLU 6 HG1 GLU 6 6.778 -13.737 3.298 38 H ASN 7 HN ASN 7 9.089 -9.930 2.458 39 HA ASN 7 HA ASN 7 7.523 -9.616 4.866 40 HB2 ASN 7 HB2 ASN 7 10.021 -9.696 4.853 41 HB3 ASN 7 HB1 ASN 7 10.027 -8.142 4.020 42 HD21 ASN 7 HD21 ASN 7 8.355 -9.545 6.908 43 HD22 ASN 7 HD22 ASN 7 8.627 -8.188 7.892 44 H SER 8 HN SER 8 9.026 -7.056 2.904 45 HA SER 8 HA SER 8 6.438 -5.666 2.764 46 HB2 SER 8 HB2 SER 8 7.884 -4.915 4.775 47 HB3 SER 8 HB1 SER 8 8.922 -4.168 3.564 48 HG SER 8 HG SER 8 7.484 -2.613 3.935 49 H LEU 9 HN LEU 9 6.476 -3.854 1.220 50 HA LEU 9 HA LEU 9 7.652 -4.598 -1.234 51 HB2 LEU 9 HB2 LEU 9 6.233 -2.141 -0.242 52 HB3 LEU 9 HB1 LEU 9 6.979 -2.138 -1.835 53 HG LEU 9 HG LEU 9 4.562 -2.837 -1.858 54 HD11 LEU 9 HD11 LEU 9 5.884 -5.327 -2.675 55 HD12 LEU 9 HD12 LEU 9 6.710 -3.887 -3.259 56 HD13 LEU 9 HD13 LEU 9 5.015 -4.146 -3.654 57 HD21 LEU 9 HD21 LEU 9 4.865 -4.075 0.395 58 HD22 LEU 9 HD22 LEU 9 5.522 -5.396 -0.573 59 HD23 LEU 9 HD23 LEU 9 3.863 -4.855 -0.830 60 H ARG 10 HN ARG 10 8.613 -2.309 1.261 61 HA ARG 10 HA ARG 10 10.634 -0.950 -0.122 62 HB2 ARG 10 HB2 ARG 10 10.195 -1.603 2.783 63 HB3 ARG 10 HB1 ARG 10 11.652 -0.757 2.257 64 HG2 ARG 10 HG2 ARG 10 9.030 0.241 1.233 65 HG3 ARG 10 HG1 ARG 10 9.430 0.573 2.919 66 HD2 ARG 10 HD2 ARG 10 11.283 1.181 0.602 67 HD3 ARG 10 HD1 ARG 10 10.186 2.361 1.313 68 HE ARG 10 HE ARG 10 11.624 1.373 3.442 69 HH11 ARG 10 HH21 ARG 10 12.334 2.836 0.388 70 HH12 ARG 10 HH22 ARG 10 13.797 3.585 0.931 71 HH21 ARG 10 HH11 ARG 10 13.542 2.353 4.162 72 HH22 ARG 10 HH12 ARG 10 14.482 3.313 3.068 73 H ARG 11 HN ARG 11 10.727 -3.996 1.692 74 HA ARG 11 HA ARG 11 13.521 -4.421 1.466 75 HB2 ARG 11 HB2 ARG 11 11.347 -6.508 1.726 76 HB3 ARG 11 HB1 ARG 11 13.046 -6.699 2.149 77 HG2 ARG 11 HG2 ARG 11 11.197 -4.659 3.421 78 HG3 ARG 11 HG1 ARG 11 11.572 -6.229 4.130 79 HD2 ARG 11 HD2 ARG 11 14.057 -5.508 3.840 80 HD3 ARG 11 HD1 ARG 11 13.403 -3.880 3.681 81 HE ARG 11 HE ARG 11 12.984 -3.892 5.953 82 HH11 ARG 11 HH21 ARG 11 13.433 -7.112 4.769 83 HH12 ARG 11 HH22 ARG 11 13.407 -7.841 6.340 84 HH21 ARG 11 HH11 ARG 11 12.948 -4.840 8.016 85 HH22 ARG 11 HH12 ARG 11 13.132 -6.556 8.179 86 H GLU 12 HN GLU 12 10.772 -5.484 -0.504 87 HA GLU 12 HA GLU 12 12.220 -7.096 -2.307 88 HB2 GLU 12 HB2 GLU 12 9.724 -5.476 -2.873 89 HB3 GLU 12 HB1 GLU 12 10.291 -6.884 -3.771 90 HG2 GLU 12 HG2 GLU 12 10.188 -7.603 -1.013 91 HG3 GLU 12 HG1 GLU 12 8.659 -6.825 -1.422 92 H ILE 13 HN ILE 13 11.369 -3.647 -2.413 93 HA ILE 13 HA ILE 13 12.506 -3.123 -4.956 94 HB ILE 13 HB ILE 13 12.047 -1.277 -2.605 95 HG12 ILE 13 HG12 ILE 13 10.368 -1.440 -5.100 96 HG13 ILE 13 HG11 ILE 13 10.106 -2.601 -3.798 97 HG21 ILE 13 HG21 ILE 13 12.031 0.468 -4.463 98 HG22 ILE 13 HG22 ILE 13 12.718 -0.770 -5.514 99 HG23 ILE 13 HG23 ILE 13 13.610 -0.227 -4.097 100 HD11 ILE 13 HD11 ILE 13 8.869 -0.204 -3.878 101 HD12 ILE 13 HD12 ILE 13 10.322 0.253 -2.993 102 HD13 ILE 13 HD13 ILE 13 9.271 -1.017 -2.367 103 H ALA 14 HN ALA 14 13.786 -2.890 -1.656 104 HA ALA 14 HA ALA 14 16.242 -1.725 -2.178 105 HB1 ALA 14 HB1 ALA 14 17.025 -2.768 -0.126 106 HB2 ALA 14 HB2 ALA 14 15.676 -3.880 -0.177 107 HB3 ALA 14 HB3 ALA 14 15.374 -2.172 0.083 108 H CYS 15 HN CYS 15 15.974 -5.177 -1.499 109 HA CYS 15 HA CYS 15 18.370 -5.993 -2.586 110 HB2 CYS 15 HB2 CYS 15 16.110 -7.255 -1.540 111 HB3 CYS 15 HB1 CYS 15 16.299 -7.951 -3.161 112 H GLY 16 HN GLY 16 15.302 -5.406 -4.229 113 HA2 GLY 16 HA2 GLY 16 15.835 -6.512 -6.720 114 HA3 GLY 16 HA1 GLY 16 14.807 -5.112 -6.455 115 H GLN 17 HN GLN 17 15.798 -3.000 -6.446 116 HA GLN 17 HA GLN 17 17.318 -2.320 -8.562 117 HB2 GLN 17 HB2 GLN 17 17.422 -1.050 -5.824 118 HB3 GLN 17 HB1 GLN 17 18.057 -0.309 -7.294 119 HG2 GLN 17 HG2 GLN 17 15.221 -1.301 -7.232 120 HG3 GLN 17 HG1 GLN 17 15.617 0.264 -6.523 121 HE21 GLN 17 HE21 GLN 17 14.718 -1.212 -9.422 122 HE22 GLN 17 HE22 GLN 17 15.237 -0.000 -10.492 123 H CYS 18 HN CYS 18 18.647 -3.054 -5.337 124 HA CYS 18 HA CYS 18 21.312 -2.686 -5.708 125 HB2 CYS 18 HB2 CYS 18 20.590 -3.473 -3.589 126 HB3 CYS 18 HB1 CYS 18 19.876 -4.926 -4.287 127 H ARG 19 HN ARG 19 19.866 -5.916 -6.207 128 HA ARG 19 HA ARG 19 22.079 -6.869 -7.706 129 HB2 ARG 19 HB2 ARG 19 19.247 -7.926 -7.560 130 HB3 ARG 19 HB1 ARG 19 20.636 -8.805 -8.188 131 HG2 ARG 19 HG2 ARG 19 20.411 -7.723 -5.361 132 HG3 ARG 19 HG1 ARG 19 20.130 -9.402 -5.818 133 HD2 ARG 19 HD2 ARG 19 22.346 -9.575 -5.255 134 HD3 ARG 19 HD1 ARG 19 22.533 -9.103 -6.936 135 HE ARG 19 HE ARG 19 22.500 -6.708 -5.735 136 HH11 ARG 19 HH21 ARG 19 24.122 -9.671 -4.984 137 HH12 ARG 19 HH22 ARG 19 25.484 -8.898 -4.244 138 HH21 ARG 19 HH11 ARG 19 24.281 -5.688 -4.765 139 HH22 ARG 19 HH12 ARG 19 25.574 -6.643 -4.120 140 H ASP 20 HN ASP 20 19.727 -4.681 -8.531 141 HA ASP 20 HA ASP 20 19.561 -5.475 -11.344 142 HB2 ASP 20 HB2 ASP 20 17.736 -4.302 -9.696 143 HB3 ASP 20 HB1 ASP 20 18.403 -2.896 -10.527 144 H LYS 21 HN LYS 21 21.622 -3.730 -9.378 145 HA LYS 21 HA LYS 21 22.440 -1.936 -11.582 146 HB2 LYS 21 HB2 LYS 21 22.938 -1.789 -8.607 147 HB3 LYS 21 HB1 LYS 21 23.693 -0.715 -9.784 148 HG2 LYS 21 HG2 LYS 21 21.284 -0.222 -10.588 149 HG3 LYS 21 HG1 LYS 21 20.772 -0.953 -9.072 150 HD2 LYS 21 HD2 LYS 21 22.294 0.647 -7.868 151 HD3 LYS 21 HD1 LYS 21 22.581 1.449 -9.412 152 HE2 LYS 21 HE2 LYS 21 20.006 1.618 -9.583 153 HE3 LYS 21 HE1 LYS 21 20.004 1.248 -7.858 154 HZ1 LYS 21 HZ1 LYS 21 20.087 3.688 -8.577 155 HZ2 LYS 21 HZ2 LYS 21 21.718 3.388 -8.945 156 HZ3 LYS 21 HZ3 LYS 21 21.150 3.180 -7.358 157 H VAL 22 HN VAL 22 23.513 -4.418 -9.342 158 HA VAL 22 HA VAL 22 26.184 -4.399 -10.596 159 HB VAL 22 HB VAL 22 26.259 -6.264 -8.581 160 HG11 VAL 22 HG11 VAL 22 27.916 -4.477 -9.053 161 HG12 VAL 22 HG12 VAL 22 27.498 -4.526 -7.341 162 HG13 VAL 22 HG13 VAL 22 26.797 -3.289 -8.384 163 HG21 VAL 22 HG21 VAL 22 25.106 -5.414 -6.684 164 HG22 VAL 22 HG22 VAL 22 23.932 -5.480 -7.982 165 HG23 VAL 22 HG23 VAL 22 24.658 -3.935 -7.536 166 H LYS 23 HN LYS 23 23.907 -6.863 -9.363 167 HA LYS 23 HA LYS 23 24.907 -8.786 -11.287 168 HB2 LYS 23 HB2 LYS 23 22.671 -9.058 -9.278 169 HB3 LYS 23 HB1 LYS 23 23.437 -10.372 -10.162 170 HG2 LYS 23 HG2 LYS 23 24.857 -8.506 -8.236 171 HG3 LYS 23 HG1 LYS 23 24.355 -10.156 -7.864 172 HD2 LYS 23 HD2 LYS 23 25.726 -10.732 -10.050 173 HD3 LYS 23 HD1 LYS 23 26.537 -9.211 -9.680 174 HE2 LYS 23 HE2 LYS 23 26.443 -11.742 -8.067 175 HE3 LYS 23 HE1 LYS 23 27.834 -10.743 -8.489 176 HZ1 LYS 23 HZ1 LYS 23 25.683 -10.081 -6.555 177 HZ2 LYS 23 HZ2 LYS 23 26.888 -8.990 -7.048 178 HZ3 LYS 23 HZ3 LYS 23 27.311 -10.400 -6.200 179 H THR 24 HN THR 24 21.825 -9.667 -10.916 180 HA THR 24 HA THR 24 20.715 -8.038 -13.088 181 HB THR 24 HB THR 24 21.775 -9.891 -14.258 182 HG1 THR 24 HG1 THR 24 19.838 -9.353 -15.135 183 HG21 THR 24 HG21 THR 24 20.050 -11.797 -12.683 184 HG22 THR 24 HG22 THR 24 21.673 -11.374 -12.141 185 HG23 THR 24 HG23 THR 24 21.443 -12.161 -13.700 186 H ASP 25 HN ASP 25 18.379 -8.605 -13.466 187 HA ASP 25 HA ASP 25 16.917 -8.440 -11.078 188 HB2 ASP 25 HB2 ASP 25 16.358 -8.174 -13.777 189 HB3 ASP 25 HB1 ASP 25 15.405 -9.579 -13.300 190 H GLY 26 HN GLY 26 18.362 -11.126 -12.561 191 HA2 GLY 26 HA2 GLY 26 16.505 -13.128 -11.613 192 HA3 GLY 26 HA1 GLY 26 18.088 -13.422 -12.324 193 H TYR 27 HN TYR 27 19.692 -11.899 -10.630 194 HA TYR 27 HA TYR 27 20.101 -13.675 -8.467 195 HB2 TYR 27 HB2 TYR 27 21.400 -11.377 -9.585 196 HB3 TYR 27 HB1 TYR 27 21.290 -11.181 -7.836 197 HD1 TYR 27 HD1 TYR 27 22.631 -13.251 -10.572 198 HD2 TYR 27 HD2 TYR 27 22.380 -12.748 -6.313 199 HE1 TYR 27 HE1 TYR 27 24.464 -14.893 -10.269 200 HE2 TYR 27 HE2 TYR 27 24.214 -14.390 -6.011 201 HH TYR 27 HH TYR 27 25.261 -16.445 -8.462 202 H PHE 28 HN PHE 28 18.279 -10.699 -8.790 203 HA PHE 28 HA PHE 28 17.914 -9.764 -6.274 204 HB2 PHE 28 HB2 PHE 28 16.412 -8.612 -7.471 205 HB3 PHE 28 HB1 PHE 28 16.277 -9.896 -8.660 206 HD1 PHE 28 HD2 PHE 28 14.656 -11.737 -8.359 207 HD2 PHE 28 HD1 PHE 28 14.878 -8.454 -5.598 208 HE1 PHE 28 HE2 PHE 28 12.449 -12.374 -7.425 209 HE2 PHE 28 HE1 PHE 28 12.671 -9.091 -4.664 210 HZ PHE 28 HZ PHE 28 11.457 -11.052 -5.577 211 H TYR 29 HN TYR 29 16.694 -12.811 -7.528 212 HA TYR 29 HA TYR 29 15.043 -13.397 -5.257 213 HB2 TYR 29 HB2 TYR 29 15.244 -14.419 -7.783 214 HB3 TYR 29 HB1 TYR 29 16.049 -15.669 -6.838 215 HD1 TYR 29 HD2 TYR 29 14.775 -16.068 -4.435 216 HD2 TYR 29 HD1 TYR 29 12.959 -14.741 -8.096 217 HE1 TYR 29 HE2 TYR 29 12.575 -16.895 -3.645 218 HE2 TYR 29 HE1 TYR 29 10.762 -15.568 -7.306 219 HH TYR 29 HH TYR 29 9.814 -15.998 -4.631 220 H GLU 30 HN GLU 30 18.290 -14.376 -6.309 221 HA GLU 30 HA GLU 30 18.839 -16.204 -4.260 222 HB2 GLU 30 HB2 GLU 30 20.329 -14.797 -6.314 223 HB3 GLU 30 HB1 GLU 30 21.264 -14.918 -4.825 224 HG2 GLU 30 HG2 GLU 30 19.827 -17.286 -6.042 225 HG3 GLU 30 HG1 GLU 30 21.496 -16.883 -6.434 226 H CYS 31 HN CYS 31 19.253 -12.673 -4.376 227 HA CYS 31 HA CYS 31 20.588 -12.442 -1.901 228 HB2 CYS 31 HB2 CYS 31 20.388 -10.152 -2.202 229 HB3 CYS 31 HB1 CYS 31 20.310 -10.729 -3.854 230 H CYS 32 HN CYS 32 17.171 -12.161 -2.826 231 HA CYS 32 HA CYS 32 16.101 -11.400 -0.370 232 HB2 CYS 32 HB2 CYS 32 15.119 -12.548 -2.850 233 HB3 CYS 32 HB1 CYS 32 14.248 -13.185 -1.450 234 H THR 33 HN THR 33 17.124 -14.567 -1.518 235 HA THR 33 HA THR 33 16.088 -15.938 0.821 236 HB THR 33 HB THR 33 17.137 -17.927 -0.168 237 HG1 THR 33 HG1 THR 33 18.078 -16.086 -2.110 238 HG21 THR 33 HG21 THR 33 15.461 -16.107 -1.872 239 HG22 THR 33 HG22 THR 33 15.008 -17.609 -1.066 240 HG23 THR 33 HG23 THR 33 16.007 -17.652 -2.520 241 H SER 34 HN SER 34 19.317 -15.232 -0.527 242 HA SER 34 HA SER 34 20.670 -16.155 1.842 243 HB2 SER 34 HB2 SER 34 21.453 -14.960 -0.763 244 HB3 SER 34 HB1 SER 34 22.572 -14.743 0.579 245 HG SER 34 HG SER 34 23.066 -16.677 -0.381 246 H ASP 35 HN ASP 35 21.542 -14.970 3.495 247 HA ASP 35 HA ASP 35 20.491 -12.264 3.826 248 HB2 ASP 35 HB2 ASP 35 20.965 -14.417 5.567 249 HB3 ASP 35 HB1 ASP 35 22.145 -13.184 6.007 250 H SER 36 HN SER 36 23.625 -13.949 3.914 251 HA SER 36 HA SER 36 25.334 -11.880 4.477 252 HB2 SER 36 HB2 SER 36 25.550 -14.463 3.270 253 HB3 SER 36 HB1 SER 36 26.523 -13.327 2.341 254 HG SER 36 HG SER 36 26.959 -14.362 4.793 255 H THR 37 HN THR 37 23.615 -12.503 1.483 256 HA THR 37 HA THR 37 25.046 -10.463 0.005 257 HB THR 37 HB THR 37 22.507 -11.952 -0.692 258 HG1 THR 37 HG1 THR 37 24.957 -12.491 -1.873 259 HG21 THR 37 HG21 THR 37 22.748 -9.914 -1.996 260 HG22 THR 37 HG22 THR 37 23.148 -11.296 -3.020 261 HG23 THR 37 HG23 THR 37 24.436 -10.297 -2.338 262 H PHE 38 HN PHE 38 21.636 -10.870 1.000 263 HA PHE 38 HA PHE 38 20.666 -8.385 0.329 264 HB2 PHE 38 HB2 PHE 38 19.086 -9.933 1.125 265 HB3 PHE 38 HB1 PHE 38 19.997 -10.239 2.602 266 HD1 PHE 38 HD1 PHE 38 18.530 -7.288 0.791 267 HD2 PHE 38 HD2 PHE 38 19.151 -9.280 4.547 268 HE1 PHE 38 HE1 PHE 38 17.251 -5.507 1.949 269 HE2 PHE 38 HE2 PHE 38 17.873 -7.500 5.703 270 HZ PHE 38 HZ PHE 38 16.922 -5.612 4.405 271 H LYS 39 HN LYS 39 22.815 -9.232 2.930 272 HA LYS 39 HA LYS 39 22.454 -6.869 4.493 273 HB2 LYS 39 HB2 LYS 39 23.430 -8.873 5.475 274 HB3 LYS 39 HB1 LYS 39 24.776 -8.806 4.337 275 HG2 LYS 39 HG2 LYS 39 25.845 -7.199 5.525 276 HG3 LYS 39 HG1 LYS 39 24.358 -6.292 5.798 277 HD2 LYS 39 HD2 LYS 39 23.712 -7.862 7.579 278 HD3 LYS 39 HD1 LYS 39 25.185 -8.792 7.301 279 HE2 LYS 39 HE2 LYS 39 26.480 -6.650 7.770 280 HE3 LYS 39 HE1 LYS 39 24.958 -5.957 8.332 281 HZ1 LYS 39 HZ1 LYS 39 26.707 -7.758 9.660 282 HZ2 LYS 39 HZ2 LYS 39 25.143 -8.414 9.550 283 HZ3 LYS 39 HZ3 LYS 39 25.382 -6.897 10.278 284 H LYS 40 HN LYS 40 24.400 -7.706 1.712 285 HA LYS 40 HA LYS 40 26.057 -5.331 1.902 286 HB2 LYS 40 HB2 LYS 40 26.842 -7.520 0.921 287 HB3 LYS 40 HB1 LYS 40 25.765 -7.218 -0.443 288 HG2 LYS 40 HG2 LYS 40 26.921 -5.083 -0.888 289 HG3 LYS 40 HG1 LYS 40 28.002 -5.385 0.473 290 HD2 LYS 40 HD2 LYS 40 28.723 -7.512 -0.644 291 HD3 LYS 40 HD1 LYS 40 27.753 -7.053 -2.045 292 HE2 LYS 40 HE2 LYS 40 29.311 -4.786 -1.406 293 HE3 LYS 40 HE1 LYS 40 30.403 -6.168 -1.314 294 HZ1 LYS 40 HZ1 LYS 40 29.483 -6.865 -3.513 295 HZ2 LYS 40 HZ2 LYS 40 30.395 -5.431 -3.545 296 HZ3 LYS 40 HZ3 LYS 40 28.698 -5.364 -3.601 297 H CYS 41 HN CYS 41 23.138 -6.356 0.274 298 HA CYS 41 HA CYS 41 23.046 -4.271 -1.666 299 HB2 CYS 41 HB2 CYS 41 21.019 -6.164 -0.506 300 HB3 CYS 41 HB1 CYS 41 20.518 -4.863 -1.586 301 H GLN 42 HN GLN 42 20.889 -4.695 1.146 302 HA GLN 42 HA GLN 42 19.796 -2.195 1.257 303 HB2 GLN 42 HB2 GLN 42 19.375 -2.581 3.610 304 HB3 GLN 42 HB1 GLN 42 19.202 -4.107 2.749 305 HG2 GLN 42 HG2 GLN 42 20.600 -4.885 4.377 306 HG3 GLN 42 HG1 GLN 42 21.849 -4.199 3.343 307 HE21 GLN 42 HE21 GLN 42 20.786 -1.390 4.062 308 HE22 GLN 42 HE22 GLN 42 21.429 -1.098 5.602 309 H ASP 43 HN ASP 43 23.013 -3.177 2.249 310 HA ASP 43 HA ASP 43 23.704 -0.867 3.736 311 HB2 ASP 43 HB2 ASP 43 24.974 -3.024 3.737 312 HB3 ASP 43 HB1 ASP 43 25.554 -2.630 2.120 313 H LEU 44 HN LEU 44 23.732 -1.611 0.303 314 HA LEU 44 HA LEU 44 25.154 0.810 -0.413 315 HB2 LEU 44 HB2 LEU 44 23.930 -1.485 -1.885 316 HB3 LEU 44 HB1 LEU 44 24.191 0.027 -2.759 317 HG LEU 44 HG LEU 44 26.422 -1.041 -1.070 318 HD11 LEU 44 HD11 LEU 44 25.425 -2.206 -3.661 319 HD12 LEU 44 HD12 LEU 44 26.000 -3.043 -2.218 320 HD13 LEU 44 HD13 LEU 44 27.147 -2.228 -3.282 321 HD21 LEU 44 HD21 LEU 44 26.359 1.187 -2.377 322 HD22 LEU 44 HD22 LEU 44 26.492 0.195 -3.828 323 HD23 LEU 44 HD23 LEU 44 27.771 0.159 -2.613 324 H LEU 45 HN LEU 45 21.807 -0.390 -0.608 325 HA LEU 45 HA LEU 45 20.728 1.889 -1.826 326 HB2 LEU 45 HB2 LEU 45 19.725 -0.529 -0.523 327 HB3 LEU 45 HB1 LEU 45 18.680 0.865 -0.242 328 HG LEU 45 HG LEU 45 18.020 -0.315 -2.295 329 HD11 LEU 45 HD11 LEU 45 17.510 1.653 -3.279 330 HD12 LEU 45 HD12 LEU 45 19.206 2.022 -3.577 331 HD13 LEU 45 HD13 LEU 45 18.474 2.407 -2.014 332 HD21 LEU 45 HD21 LEU 45 20.105 0.353 -4.072 333 HD22 LEU 45 HD22 LEU 45 19.622 -1.267 -3.544 334 HD23 LEU 45 HD23 LEU 45 20.878 -0.399 -2.684 335 H HIS 46 HN HIS 46 20.637 0.927 1.599 336 HA HIS 46 HA HIS 46 20.999 3.687 2.428 337 HB2 HIS 46 HB2 HIS 46 18.460 3.202 1.922 338 HB3 HIS 46 HB1 HIS 46 18.519 2.384 3.485 339 HD1 HIS 46 HD1 HIS 46 18.189 5.691 1.988 340 HD2 HIS 46 HD2 HIS 46 19.553 4.188 5.631 341 HE1 HIS 46 HE1 HIS 46 18.239 7.647 3.596 Start of MODEL 4 1 HA ALA 1 HA ALA 1 11.656 -15.770 11.006 2 HB1 ALA 1 HB1 ALA 1 13.967 -16.310 10.149 3 HB2 ALA 1 HB2 ALA 1 13.564 -18.019 10.305 4 HB3 ALA 1 HB3 ALA 1 13.611 -16.990 11.737 5 H ASP 2 HN ASP 2 9.747 -15.837 9.432 6 HA ASP 2 HA ASP 2 10.585 -16.481 6.686 7 HB2 ASP 2 HB2 ASP 2 8.087 -15.834 6.273 8 HB3 ASP 2 HB1 ASP 2 8.465 -17.390 7.011 9 H ASN 3 HN ASN 3 12.092 -14.575 6.902 10 HA ASN 3 HA ASN 3 10.666 -12.075 6.200 11 HB2 ASN 3 HB2 ASN 3 13.358 -12.249 7.564 12 HB3 ASN 3 HB1 ASN 3 12.390 -10.804 7.281 13 HD21 ASN 3 HD21 ASN 3 9.862 -11.517 8.126 14 HD22 ASN 3 HD22 ASN 3 9.886 -11.975 9.760 15 H LYS 4 HN LYS 4 10.786 -12.751 3.979 16 HA LYS 4 HA LYS 4 13.382 -12.090 2.782 17 HB2 LYS 4 HB2 LYS 4 11.913 -14.401 1.595 18 HB3 LYS 4 HB1 LYS 4 13.635 -14.050 1.607 19 HG2 LYS 4 HG2 LYS 4 13.695 -14.561 4.045 20 HG3 LYS 4 HG1 LYS 4 11.994 -15.023 3.960 21 HD2 LYS 4 HD2 LYS 4 12.762 -17.097 3.488 22 HD3 LYS 4 HD1 LYS 4 13.102 -16.455 1.880 23 HE2 LYS 4 HE2 LYS 4 15.370 -15.776 2.671 24 HE3 LYS 4 HE1 LYS 4 15.025 -16.541 4.223 25 HZ1 LYS 4 HZ1 LYS 4 16.065 -18.228 3.111 26 HZ2 LYS 4 HZ2 LYS 4 15.449 -17.776 1.593 27 HZ3 LYS 4 HZ3 LYS 4 14.449 -18.564 2.720 28 H CYS 5 HN CYS 5 12.190 -13.166 0.202 29 HA CYS 5 HA CYS 5 11.094 -10.722 -0.735 30 HB2 CYS 5 HB2 CYS 5 11.878 -13.273 -1.844 31 HB3 CYS 5 HB1 CYS 5 10.342 -12.747 -2.529 32 H GLU 6 HN GLU 6 9.707 -12.628 1.411 33 HA GLU 6 HA GLU 6 7.015 -12.573 0.208 34 HB2 GLU 6 HB2 GLU 6 6.387 -14.147 1.975 35 HB3 GLU 6 HB1 GLU 6 7.778 -14.755 1.077 36 HG2 GLU 6 HG2 GLU 6 9.229 -13.646 2.877 37 HG3 GLU 6 HG1 GLU 6 7.746 -13.475 3.814 38 H ASN 7 HN ASN 7 8.955 -10.679 2.055 39 HA ASN 7 HA ASN 7 6.938 -9.870 4.006 40 HB2 ASN 7 HB2 ASN 7 9.703 -9.896 4.035 41 HB3 ASN 7 HB1 ASN 7 9.325 -8.193 3.792 42 HD21 ASN 7 HD21 ASN 7 10.052 -10.173 6.244 43 HD22 ASN 7 HD22 ASN 7 9.053 -9.552 7.467 44 H SER 8 HN SER 8 7.654 -7.103 4.070 45 HA SER 8 HA SER 8 5.758 -6.012 2.318 46 HB2 SER 8 HB2 SER 8 6.792 -5.033 4.490 47 HB3 SER 8 HB1 SER 8 8.052 -4.413 3.425 48 HG SER 8 HG SER 8 6.668 -3.049 2.579 49 H LEU 9 HN LEU 9 6.572 -3.967 0.928 50 HA LEU 9 HA LEU 9 8.145 -5.155 -1.201 51 HB2 LEU 9 HB2 LEU 9 6.552 -2.603 -0.945 52 HB3 LEU 9 HB1 LEU 9 7.541 -2.958 -2.362 53 HG LEU 9 HG LEU 9 6.293 -5.043 -2.729 54 HD11 LEU 9 HD11 LEU 9 4.092 -5.173 -1.303 55 HD12 LEU 9 HD12 LEU 9 5.006 -4.213 -0.140 56 HD13 LEU 9 HD13 LEU 9 5.595 -5.803 -0.630 57 HD21 LEU 9 HD21 LEU 9 4.332 -2.778 -2.288 58 HD22 LEU 9 HD22 LEU 9 4.256 -4.055 -3.500 59 HD23 LEU 9 HD23 LEU 9 5.487 -2.799 -3.624 60 H ARG 10 HN ARG 10 8.557 -2.905 1.381 61 HA ARG 10 HA ARG 10 10.528 -1.192 0.491 62 HB2 ARG 10 HB2 ARG 10 10.478 -2.556 3.193 63 HB3 ARG 10 HB1 ARG 10 11.253 -1.019 2.801 64 HG2 ARG 10 HG2 ARG 10 8.831 -0.367 1.967 65 HG3 ARG 10 HG1 ARG 10 8.334 -1.658 3.062 66 HD2 ARG 10 HD2 ARG 10 9.585 -0.569 4.899 67 HD3 ARG 10 HD1 ARG 10 10.047 0.731 3.805 68 HE ARG 10 HE ARG 10 7.234 0.482 3.791 69 HH11 ARG 10 HH21 ARG 10 9.869 1.409 5.833 70 HH12 ARG 10 HH22 ARG 10 8.938 2.545 6.751 71 HH21 ARG 10 HH11 ARG 10 6.006 1.970 4.990 72 HH22 ARG 10 HH12 ARG 10 6.752 2.863 6.275 73 H ARG 11 HN ARG 11 10.922 -4.498 1.731 74 HA ARG 11 HA ARG 11 13.754 -4.549 1.491 75 HB2 ARG 11 HB2 ARG 11 13.515 -6.987 1.761 76 HB3 ARG 11 HB1 ARG 11 12.530 -6.114 2.932 77 HG2 ARG 11 HG2 ARG 11 10.877 -7.501 2.194 78 HG3 ARG 11 HG1 ARG 11 10.745 -6.312 0.907 79 HD2 ARG 11 HD2 ARG 11 12.689 -7.887 -0.142 80 HD3 ARG 11 HD1 ARG 11 11.833 -9.075 0.828 81 HE ARG 11 HE ARG 11 10.929 -7.934 -1.609 82 HH11 ARG 11 HH21 ARG 11 9.892 -8.937 1.532 83 HH12 ARG 11 HH22 ARG 11 8.280 -9.320 1.026 84 HH21 ARG 11 HH11 ARG 11 8.830 -8.429 -2.281 85 HH22 ARG 11 HH12 ARG 11 7.677 -9.031 -1.135 86 H GLU 12 HN GLU 12 11.116 -5.576 -0.652 87 HA GLU 12 HA GLU 12 12.641 -6.821 -2.638 88 HB2 GLU 12 HB2 GLU 12 9.969 -6.272 -2.267 89 HB3 GLU 12 HB1 GLU 12 10.374 -5.244 -3.642 90 HG2 GLU 12 HG2 GLU 12 11.461 -7.256 -4.713 91 HG3 GLU 12 HG1 GLU 12 10.794 -8.233 -3.407 92 H ILE 13 HN ILE 13 11.940 -3.417 -2.067 93 HA ILE 13 HA ILE 13 12.968 -2.464 -4.546 94 HB ILE 13 HB ILE 13 12.633 -1.073 -1.879 95 HG12 ILE 13 HG12 ILE 13 10.907 -0.850 -4.354 96 HG13 ILE 13 HG11 ILE 13 10.591 -2.061 -3.112 97 HG21 ILE 13 HG21 ILE 13 12.646 0.986 -3.372 98 HG22 ILE 13 HG22 ILE 13 13.253 -0.052 -4.663 99 HG23 ILE 13 HG23 ILE 13 14.206 0.180 -3.199 100 HD11 ILE 13 HD11 ILE 13 9.603 0.498 -3.070 101 HD12 ILE 13 HD12 ILE 13 11.038 0.655 -2.059 102 HD13 ILE 13 HD13 ILE 13 9.792 -0.522 -1.644 103 H ALA 14 HN ALA 14 14.345 -2.839 -1.296 104 HA ALA 14 HA ALA 14 16.857 -1.707 -1.780 105 HB1 ALA 14 HB1 ALA 14 17.626 -3.059 0.111 106 HB2 ALA 14 HB2 ALA 14 16.142 -3.992 0.020 107 HB3 ALA 14 HB3 ALA 14 16.071 -2.289 0.447 108 H CYS 15 HN CYS 15 16.400 -5.180 -1.410 109 HA CYS 15 HA CYS 15 18.702 -6.045 -2.653 110 HB2 CYS 15 HB2 CYS 15 16.317 -7.248 -1.724 111 HB3 CYS 15 HB1 CYS 15 16.583 -7.858 -3.364 112 H GLY 16 HN GLY 16 15.784 -4.809 -4.094 113 HA2 GLY 16 HA2 GLY 16 16.170 -5.766 -6.739 114 HA3 GLY 16 HA1 GLY 16 15.187 -4.378 -6.275 115 H GLN 17 HN GLN 17 16.337 -2.337 -5.844 116 HA GLN 17 HA GLN 17 17.775 -1.309 -7.884 117 HB2 GLN 17 HB2 GLN 17 18.266 -0.637 -4.981 118 HB3 GLN 17 HB1 GLN 17 18.648 0.383 -6.370 119 HG2 GLN 17 HG2 GLN 17 15.890 -0.520 -6.477 120 HG3 GLN 17 HG1 GLN 17 16.218 0.322 -4.964 121 HE21 GLN 17 HE21 GLN 17 17.705 0.927 -8.178 122 HE22 GLN 17 HE22 GLN 17 17.147 2.526 -8.299 123 H CYS 18 HN CYS 18 19.024 -3.269 -5.275 124 HA CYS 18 HA CYS 18 21.780 -2.892 -5.702 125 HB2 CYS 18 HB2 CYS 18 20.116 -4.989 -4.394 126 HB3 CYS 18 HB1 CYS 18 21.789 -5.389 -4.777 127 H ARG 19 HN ARG 19 20.221 -5.998 -6.428 128 HA ARG 19 HA ARG 19 22.101 -6.488 -8.563 129 HB2 ARG 19 HB2 ARG 19 19.644 -8.092 -7.850 130 HB3 ARG 19 HB1 ARG 19 21.074 -8.650 -8.715 131 HG2 ARG 19 HG2 ARG 19 21.099 -7.643 -5.850 132 HG3 ARG 19 HG1 ARG 19 21.050 -9.343 -6.303 133 HD2 ARG 19 HD2 ARG 19 23.333 -8.968 -5.975 134 HD3 ARG 19 HD1 ARG 19 23.166 -8.793 -7.717 135 HE ARG 19 HE ARG 19 22.879 -6.255 -6.963 136 HH11 ARG 19 HH21 ARG 19 25.079 -8.701 -5.882 137 HH12 ARG 19 HH22 ARG 19 26.333 -7.581 -5.477 138 HH21 ARG 19 HH11 ARG 19 24.517 -4.789 -6.438 139 HH22 ARG 19 HH12 ARG 19 26.018 -5.365 -5.793 140 H ASP 20 HN ASP 20 19.918 -4.315 -8.680 141 HA ASP 20 HA ASP 20 18.755 -5.142 -11.272 142 HB2 ASP 20 HB2 ASP 20 17.093 -4.611 -9.515 143 HB3 ASP 20 HB1 ASP 20 17.791 -3.002 -9.374 144 H LYS 21 HN LYS 21 21.255 -3.403 -9.969 145 HA LYS 21 HA LYS 21 21.195 -1.473 -12.226 146 HB2 LYS 21 HB2 LYS 21 22.386 0.108 -10.846 147 HB3 LYS 21 HB1 LYS 21 20.950 -0.422 -9.967 148 HG2 LYS 21 HG2 LYS 21 22.342 -0.881 -8.268 149 HG3 LYS 21 HG1 LYS 21 22.844 -2.269 -9.224 150 HD2 LYS 21 HD2 LYS 21 24.857 -1.123 -8.658 151 HD3 LYS 21 HD1 LYS 21 24.535 -0.704 -10.341 152 HE2 LYS 21 HE2 LYS 21 23.119 1.226 -8.950 153 HE3 LYS 21 HE1 LYS 21 24.566 1.015 -7.966 154 HZ1 LYS 21 HZ1 LYS 21 24.875 2.677 -9.708 155 HZ2 LYS 21 HZ2 LYS 21 24.544 1.507 -10.894 156 HZ3 LYS 21 HZ3 LYS 21 25.924 1.359 -9.914 157 H VAL 22 HN VAL 22 22.621 -4.208 -11.070 158 HA VAL 22 HA VAL 22 25.093 -3.706 -12.573 159 HB VAL 22 HB VAL 22 25.856 -5.481 -10.644 160 HG11 VAL 22 HG11 VAL 22 27.243 -3.649 -11.303 161 HG12 VAL 22 HG12 VAL 22 26.930 -3.404 -9.585 162 HG13 VAL 22 HG13 VAL 22 26.042 -2.466 -10.785 163 HG21 VAL 22 HG21 VAL 22 23.498 -4.493 -9.585 164 HG22 VAL 22 HG22 VAL 22 24.725 -3.461 -8.856 165 HG23 VAL 22 HG23 VAL 22 24.793 -5.199 -8.679 166 H LYS 23 HN LYS 23 23.566 -6.404 -10.789 167 HA LYS 23 HA LYS 23 24.279 -8.253 -12.903 168 HB2 LYS 23 HB2 LYS 23 22.570 -8.778 -10.472 169 HB3 LYS 23 HB1 LYS 23 23.422 -9.966 -11.457 170 HG2 LYS 23 HG2 LYS 23 24.730 -7.780 -9.808 171 HG3 LYS 23 HG1 LYS 23 24.668 -9.489 -9.379 172 HD2 LYS 23 HD2 LYS 23 25.742 -9.824 -11.763 173 HD3 LYS 23 HD1 LYS 23 26.229 -8.141 -11.558 174 HE2 LYS 23 HE2 LYS 23 27.248 -8.748 -9.360 175 HE3 LYS 23 HE1 LYS 23 26.852 -10.437 -9.677 176 HZ1 LYS 23 HZ1 LYS 23 28.877 -10.456 -10.608 177 HZ2 LYS 23 HZ2 LYS 23 28.923 -8.773 -10.828 178 HZ3 LYS 23 HZ3 LYS 23 28.094 -9.755 -11.939 179 H THR 24 HN THR 24 21.620 -9.663 -12.007 180 HA THR 24 HA THR 24 19.753 -8.173 -13.720 181 HB THR 24 HB THR 24 20.827 -9.763 -15.222 182 HG1 THR 24 HG1 THR 24 18.923 -10.098 -15.991 183 HG21 THR 24 HG21 THR 24 20.903 -12.119 -14.778 184 HG22 THR 24 HG22 THR 24 19.886 -11.944 -13.348 185 HG23 THR 24 HG23 THR 24 21.532 -11.313 -13.342 186 H ASP 25 HN ASP 25 17.691 -9.932 -13.813 187 HA ASP 25 HA ASP 25 16.501 -9.660 -11.275 188 HB2 ASP 25 HB2 ASP 25 14.792 -11.298 -12.252 189 HB3 ASP 25 HB1 ASP 25 15.029 -9.777 -13.110 190 H GLY 26 HN GLY 26 18.073 -12.400 -12.866 191 HA2 GLY 26 HA2 GLY 26 17.427 -14.478 -11.169 192 HA3 GLY 26 HA1 GLY 26 18.974 -14.334 -11.997 193 H TYR 27 HN TYR 27 20.256 -12.316 -10.855 194 HA TYR 27 HA TYR 27 21.182 -13.334 -8.412 195 HB2 TYR 27 HB2 TYR 27 21.573 -10.836 -9.964 196 HB3 TYR 27 HB1 TYR 27 21.997 -10.778 -8.254 197 HD1 TYR 27 HD1 TYR 27 22.490 -12.838 -11.339 198 HD2 TYR 27 HD2 TYR 27 24.043 -11.664 -7.511 199 HE1 TYR 27 HE1 TYR 27 24.594 -14.060 -11.818 200 HE2 TYR 27 HE2 TYR 27 26.147 -12.887 -7.989 201 HH TYR 27 HH TYR 27 27.019 -14.570 -9.371 202 H PHE 28 HN PHE 28 18.928 -10.673 -9.096 203 HA PHE 28 HA PHE 28 18.550 -9.677 -6.537 204 HB2 PHE 28 HB2 PHE 28 17.304 -8.406 -7.934 205 HB3 PHE 28 HB1 PHE 28 16.992 -9.753 -9.025 206 HD1 PHE 28 HD1 PHE 28 16.135 -8.628 -5.554 207 HD2 PHE 28 HD2 PHE 28 14.825 -10.626 -9.124 208 HE1 PHE 28 HE1 PHE 28 13.874 -8.899 -4.572 209 HE2 PHE 28 HE2 PHE 28 12.564 -10.897 -8.142 210 HZ PHE 28 HZ PHE 28 12.089 -10.034 -5.866 211 H TYR 29 HN TYR 29 17.024 -12.494 -8.063 212 HA TYR 29 HA TYR 29 15.270 -13.077 -5.899 213 HB2 TYR 29 HB2 TYR 29 15.487 -13.990 -8.434 214 HB3 TYR 29 HB1 TYR 29 16.245 -15.324 -7.563 215 HD1 TYR 29 HD2 TYR 29 14.989 -16.318 -5.552 216 HD2 TYR 29 HD1 TYR 29 13.139 -13.747 -8.454 217 HE1 TYR 29 HE2 TYR 29 12.755 -17.131 -4.847 218 HE2 TYR 29 HE1 TYR 29 10.905 -14.561 -7.749 219 HH TYR 29 HH TYR 29 9.954 -16.598 -6.650 220 H GLU 30 HN GLU 30 18.518 -14.191 -6.761 221 HA GLU 30 HA GLU 30 18.820 -16.156 -4.784 222 HB2 GLU 30 HB2 GLU 30 20.580 -14.634 -6.565 223 HB3 GLU 30 HB1 GLU 30 21.346 -15.098 -5.048 224 HG2 GLU 30 HG2 GLU 30 21.622 -16.842 -6.797 225 HG3 GLU 30 HG1 GLU 30 20.717 -17.435 -5.405 226 H CYS 31 HN CYS 31 19.451 -12.636 -4.669 227 HA CYS 31 HA CYS 31 20.579 -12.615 -2.092 228 HB2 CYS 31 HB2 CYS 31 20.525 -10.316 -2.297 229 HB3 CYS 31 HB1 CYS 31 20.498 -10.806 -3.982 230 H CYS 32 HN CYS 32 17.251 -12.110 -3.250 231 HA CYS 32 HA CYS 32 16.024 -11.447 -0.845 232 HB2 CYS 32 HB2 CYS 32 15.206 -12.234 -3.455 233 HB3 CYS 32 HB1 CYS 32 14.299 -13.202 -2.293 234 H THR 33 HN THR 33 16.950 -14.610 -2.102 235 HA THR 33 HA THR 33 15.696 -16.037 0.076 236 HB THR 33 HB THR 33 16.773 -18.013 -0.908 237 HG1 THR 33 HG1 THR 33 18.472 -17.771 -2.092 238 HG21 THR 33 HG21 THR 33 15.360 -16.056 -2.706 239 HG22 THR 33 HG22 THR 33 14.740 -17.537 -1.977 240 HG23 THR 33 HG23 THR 33 15.875 -17.625 -3.324 241 H SER 34 HN SER 34 19.002 -15.121 -0.833 242 HA SER 34 HA SER 34 20.167 -16.340 1.508 243 HB2 SER 34 HB2 SER 34 21.485 -16.177 -0.529 244 HB3 SER 34 HB1 SER 34 21.303 -14.425 -0.544 245 HG SER 34 HG SER 34 22.935 -16.050 0.984 246 H ASP 35 HN ASP 35 20.862 -15.350 3.367 247 HA ASP 35 HA ASP 35 19.654 -12.755 3.951 248 HB2 ASP 35 HB2 ASP 35 21.012 -14.832 5.672 249 HB3 ASP 35 HB1 ASP 35 20.460 -13.276 6.290 250 H SER 36 HN SER 36 22.855 -14.276 4.401 251 HA SER 36 HA SER 36 24.295 -12.036 5.147 252 HB2 SER 36 HB2 SER 36 25.042 -14.513 4.902 253 HB3 SER 36 HB1 SER 36 25.470 -14.054 3.256 254 HG SER 36 HG SER 36 27.215 -13.285 4.124 255 H THR 37 HN THR 37 22.666 -12.518 2.245 256 HA THR 37 HA THR 37 24.427 -10.721 0.727 257 HB THR 37 HB THR 37 21.945 -12.131 -0.259 258 HG1 THR 37 HG1 THR 37 23.648 -13.574 -1.140 259 HG21 THR 37 HG21 THR 37 23.030 -10.165 -1.522 260 HG22 THR 37 HG22 THR 37 22.785 -11.660 -2.427 261 HG23 THR 37 HG23 THR 37 24.386 -11.258 -1.805 262 H PHE 38 HN PHE 38 21.021 -11.057 1.713 263 HA PHE 38 HA PHE 38 20.107 -8.611 0.671 264 HB2 PHE 38 HB2 PHE 38 18.361 -9.981 1.299 265 HB3 PHE 38 HB1 PHE 38 19.161 -10.498 2.784 266 HD1 PHE 38 HD1 PHE 38 17.686 -7.460 1.161 267 HD2 PHE 38 HD2 PHE 38 18.567 -9.515 4.829 268 HE1 PHE 38 HE1 PHE 38 16.452 -5.722 2.431 269 HE2 PHE 38 HE2 PHE 38 17.333 -7.778 6.098 270 HZ PHE 38 HZ PHE 38 16.276 -5.883 4.899 271 H LYS 39 HN LYS 39 21.610 -9.428 3.760 272 HA LYS 39 HA LYS 39 21.204 -6.866 4.956 273 HB2 LYS 39 HB2 LYS 39 22.536 -7.673 6.736 274 HB3 LYS 39 HB1 LYS 39 21.727 -9.106 6.107 275 HG2 LYS 39 HG2 LYS 39 23.881 -9.921 6.131 276 HG3 LYS 39 HG1 LYS 39 23.874 -9.199 4.528 277 HD2 LYS 39 HD2 LYS 39 25.706 -8.055 5.199 278 HD3 LYS 39 HD1 LYS 39 24.619 -7.071 6.176 279 HE2 LYS 39 HE2 LYS 39 26.181 -9.513 7.024 280 HE3 LYS 39 HE1 LYS 39 26.290 -7.878 7.671 281 HZ1 LYS 39 HZ1 LYS 39 24.480 -8.166 8.944 282 HZ2 LYS 39 HZ2 LYS 39 24.824 -9.819 8.767 283 HZ3 LYS 39 HZ3 LYS 39 23.655 -9.081 7.779 284 H LYS 40 HN LYS 40 23.414 -8.093 2.628 285 HA LYS 40 HA LYS 40 25.427 -6.047 3.128 286 HB2 LYS 40 HB2 LYS 40 26.064 -8.345 2.387 287 HB3 LYS 40 HB1 LYS 40 25.236 -8.044 0.859 288 HG2 LYS 40 HG2 LYS 40 26.758 -6.322 0.249 289 HG3 LYS 40 HG1 LYS 40 27.405 -6.208 1.886 290 HD2 LYS 40 HD2 LYS 40 28.542 -8.284 1.699 291 HD3 LYS 40 HD1 LYS 40 27.624 -8.748 0.265 292 HE2 LYS 40 HE2 LYS 40 28.722 -7.061 -1.068 293 HE3 LYS 40 HE1 LYS 40 29.501 -6.372 0.356 294 HZ1 LYS 40 HZ1 LYS 40 30.045 -9.146 0.159 295 HZ2 LYS 40 HZ2 LYS 40 31.132 -7.841 0.201 296 HZ3 LYS 40 HZ3 LYS 40 30.483 -8.364 -1.280 297 H CYS 41 HN CYS 41 22.605 -6.493 1.219 298 HA CYS 41 HA CYS 41 23.287 -4.588 -0.833 299 HB2 CYS 41 HB2 CYS 41 21.705 -6.240 -1.461 300 HB3 CYS 41 HB1 CYS 41 20.722 -5.954 -0.023 301 H GLN 42 HN GLN 42 20.751 -4.527 1.684 302 HA GLN 42 HA GLN 42 19.952 -1.938 1.537 303 HB2 GLN 42 HB2 GLN 42 19.659 -2.094 4.085 304 HB3 GLN 42 HB1 GLN 42 18.853 -3.322 3.110 305 HG2 GLN 42 HG2 GLN 42 20.093 -4.985 3.998 306 HG3 GLN 42 HG1 GLN 42 21.591 -4.077 3.801 307 HE21 GLN 42 HE21 GLN 42 19.772 -5.473 6.165 308 HE22 GLN 42 HE22 GLN 42 20.140 -4.442 7.462 309 H ASP 43 HN ASP 43 22.929 -3.175 2.987 310 HA ASP 43 HA ASP 43 23.768 -0.839 4.311 311 HB2 ASP 43 HB2 ASP 43 24.780 -3.157 4.488 312 HB3 ASP 43 HB1 ASP 43 25.590 -2.833 2.957 313 H LEU 44 HN LEU 44 23.932 -1.809 0.952 314 HA LEU 44 HA LEU 44 25.649 0.411 0.208 315 HB2 LEU 44 HB2 LEU 44 24.343 -1.861 -1.259 316 HB3 LEU 44 HB1 LEU 44 24.953 -0.471 -2.159 317 HG LEU 44 HG LEU 44 26.736 -1.684 -0.089 318 HD11 LEU 44 HD11 LEU 44 26.235 -3.721 -1.105 319 HD12 LEU 44 HD12 LEU 44 27.560 -3.150 -2.120 320 HD13 LEU 44 HD13 LEU 44 25.892 -2.974 -2.666 321 HD21 LEU 44 HD21 LEU 44 28.450 -0.844 -1.502 322 HD22 LEU 44 HD22 LEU 44 27.191 0.389 -1.562 323 HD23 LEU 44 HD23 LEU 44 27.371 -0.752 -2.894 324 H LEU 45 HN LEU 45 22.292 -0.605 -0.504 325 HA LEU 45 HA LEU 45 21.514 1.608 -1.949 326 HB2 LEU 45 HB2 LEU 45 20.214 -0.570 -0.552 327 HB3 LEU 45 HB1 LEU 45 19.288 0.919 -0.366 328 HG LEU 45 HG LEU 45 18.577 -0.296 -2.365 329 HD11 LEU 45 HD11 LEU 45 19.966 1.818 -3.783 330 HD12 LEU 45 HD12 LEU 45 19.320 2.389 -2.244 331 HD13 LEU 45 HD13 LEU 45 18.246 1.651 -3.434 332 HD21 LEU 45 HD21 LEU 45 20.740 0.042 -4.133 333 HD22 LEU 45 HD22 LEU 45 20.103 -1.474 -3.491 334 HD23 LEU 45 HD23 LEU 45 21.430 -0.663 -2.669 335 H HIS 46 HN HIS 46 21.435 1.130 1.557 336 HA HIS 46 HA HIS 46 21.072 2.635 3.282 337 HB2 HIS 46 HB2 HIS 46 23.333 3.304 2.230 338 HB3 HIS 46 HB1 HIS 46 22.450 4.658 1.523 339 HD1 HIS 46 HD1 HIS 46 23.584 3.258 4.823 340 HD2 HIS 46 HD2 HIS 46 21.617 6.639 3.384 341 HE1 HIS 46 HE1 HIS 46 23.476 4.899 6.749 Start of MODEL 5 1 HA ALA 1 HA ALA 1 12.652 -20.093 5.449 2 HB1 ALA 1 HB1 ALA 1 12.518 -22.687 5.629 3 HB2 ALA 1 HB2 ALA 1 12.125 -21.934 4.083 4 HB3 ALA 1 HB3 ALA 1 10.832 -22.475 5.153 5 H ASP 2 HN ASP 2 10.897 -18.532 6.810 6 HA ASP 2 HA ASP 2 8.799 -18.129 4.822 7 HB2 ASP 2 HB2 ASP 2 8.042 -18.200 7.740 8 HB3 ASP 2 HB1 ASP 2 6.980 -18.155 6.335 9 H ASN 3 HN ASN 3 10.755 -16.479 4.776 10 HA ASN 3 HA ASN 3 9.708 -13.966 5.546 11 HB2 ASN 3 HB2 ASN 3 11.552 -13.350 7.157 12 HB3 ASN 3 HB1 ASN 3 10.365 -14.490 7.790 13 HD21 ASN 3 HD21 ASN 3 13.289 -14.132 8.526 14 HD22 ASN 3 HD22 ASN 3 13.980 -15.668 8.305 15 H LYS 4 HN LYS 4 10.248 -14.100 3.190 16 HA LYS 4 HA LYS 4 13.105 -13.549 2.672 17 HB2 LYS 4 HB2 LYS 4 12.510 -14.023 0.286 18 HB3 LYS 4 HB1 LYS 4 12.284 -15.402 1.362 19 HG2 LYS 4 HG2 LYS 4 9.886 -13.790 1.304 20 HG3 LYS 4 HG1 LYS 4 10.354 -14.241 -0.336 21 HD2 LYS 4 HD2 LYS 4 10.156 -16.206 1.963 22 HD3 LYS 4 HD1 LYS 4 8.866 -15.930 0.792 23 HE2 LYS 4 HE2 LYS 4 9.869 -17.289 -0.694 24 HE3 LYS 4 HE1 LYS 4 11.354 -16.343 -0.603 25 HZ1 LYS 4 HZ1 LYS 4 11.292 -17.728 1.744 26 HZ2 LYS 4 HZ2 LYS 4 12.233 -18.110 0.382 27 HZ3 LYS 4 HZ3 LYS 4 10.722 -18.853 0.610 28 H CYS 5 HN CYS 5 11.353 -12.640 0.050 29 HA CYS 5 HA CYS 5 11.652 -9.807 0.716 30 HB2 CYS 5 HB2 CYS 5 11.423 -11.403 -1.789 31 HB3 CYS 5 HB1 CYS 5 10.841 -9.739 -1.827 32 H GLU 6 HN GLU 6 9.372 -11.859 1.458 33 HA GLU 6 HA GLU 6 7.091 -10.281 0.472 34 HB2 GLU 6 HB2 GLU 6 5.708 -12.144 1.238 35 HB3 GLU 6 HB1 GLU 6 6.997 -12.738 0.190 36 HG2 GLU 6 HG2 GLU 6 7.570 -14.150 1.848 37 HG3 GLU 6 HG1 GLU 6 8.114 -12.743 2.759 38 H ASN 7 HN ASN 7 9.143 -9.906 2.858 39 HA ASN 7 HA ASN 7 7.326 -9.722 5.117 40 HB2 ASN 7 HB2 ASN 7 10.187 -9.722 4.708 41 HB3 ASN 7 HB1 ASN 7 9.707 -8.365 5.725 42 HD21 ASN 7 HD21 ASN 7 9.944 -9.003 7.871 43 HD22 ASN 7 HD22 ASN 7 9.451 -10.501 8.499 44 H SER 8 HN SER 8 9.458 -7.364 3.477 45 HA SER 8 HA SER 8 7.316 -5.365 3.665 46 HB2 SER 8 HB2 SER 8 10.127 -4.968 4.710 47 HB3 SER 8 HB1 SER 8 8.937 -3.684 4.516 48 HG SER 8 HG SER 8 8.288 -6.017 5.947 49 H LEU 9 HN LEU 9 7.419 -3.749 2.104 50 HA LEU 9 HA LEU 9 8.641 -4.438 -0.346 51 HB2 LEU 9 HB2 LEU 9 7.238 -1.978 0.660 52 HB3 LEU 9 HB1 LEU 9 7.988 -2.006 -0.937 53 HG LEU 9 HG LEU 9 6.647 -3.942 -1.577 54 HD11 LEU 9 HD11 LEU 9 6.379 -5.205 0.388 55 HD12 LEU 9 HD12 LEU 9 4.763 -4.553 0.117 56 HD13 LEU 9 HD13 LEU 9 5.822 -3.814 1.317 57 HD21 LEU 9 HD21 LEU 9 4.775 -1.981 -0.240 58 HD22 LEU 9 HD22 LEU 9 4.541 -2.853 -1.754 59 HD23 LEU 9 HD23 LEU 9 5.719 -1.545 -1.665 60 H ARG 10 HN ARG 10 9.691 -2.558 2.370 61 HA ARG 10 HA ARG 10 11.607 -0.891 1.218 62 HB2 ARG 10 HB2 ARG 10 11.734 -2.315 3.884 63 HB3 ARG 10 HB1 ARG 10 12.700 -0.913 3.420 64 HG2 ARG 10 HG2 ARG 10 10.507 0.304 2.983 65 HG3 ARG 10 HG1 ARG 10 9.697 -1.049 3.773 66 HD2 ARG 10 HD2 ARG 10 11.548 0.997 4.948 67 HD3 ARG 10 HD1 ARG 10 10.012 0.399 5.567 68 HE ARG 10 HE ARG 10 11.852 -1.734 5.548 69 HH11 ARG 10 HH21 ARG 10 11.272 1.308 7.087 70 HH12 ARG 10 HH22 ARG 10 12.046 0.858 8.570 71 HH21 ARG 10 HH11 ARG 10 12.867 -2.330 7.484 72 HH22 ARG 10 HH12 ARG 10 12.949 -1.201 8.796 73 H ARG 11 HN ARG 11 12.303 -3.997 2.840 74 HA ARG 11 HA ARG 11 14.928 -4.239 1.886 75 HB2 ARG 11 HB2 ARG 11 14.678 -6.656 2.443 76 HB3 ARG 11 HB1 ARG 11 14.158 -5.585 3.742 77 HG2 ARG 11 HG2 ARG 11 11.817 -5.832 3.028 78 HG3 ARG 11 HG1 ARG 11 12.321 -6.898 1.716 79 HD2 ARG 11 HD2 ARG 11 12.464 -7.400 4.689 80 HD3 ARG 11 HD1 ARG 11 11.629 -8.349 3.463 81 HE ARG 11 HE ARG 11 14.335 -8.366 2.787 82 HH11 ARG 11 HH21 ARG 11 12.278 -9.361 5.382 83 HH12 ARG 11 HH22 ARG 11 13.282 -10.691 5.849 84 HH21 ARG 11 HH11 ARG 11 15.660 -10.102 3.394 85 HH22 ARG 11 HH12 ARG 11 15.199 -11.112 4.724 86 H GLU 12 HN GLU 12 11.845 -5.165 0.464 87 HA GLU 12 HA GLU 12 12.866 -6.803 -1.615 88 HB2 GLU 12 HB2 GLU 12 10.452 -6.639 -0.914 89 HB3 GLU 12 HB1 GLU 12 10.391 -5.067 -1.710 90 HG2 GLU 12 HG2 GLU 12 10.970 -6.070 -3.846 91 HG3 GLU 12 HG1 GLU 12 11.176 -7.647 -3.085 92 H ILE 13 HN ILE 13 11.991 -3.341 -1.581 93 HA ILE 13 HA ILE 13 12.717 -2.794 -4.247 94 HB ILE 13 HB ILE 13 12.638 -1.018 -1.806 95 HG12 ILE 13 HG12 ILE 13 10.713 -0.979 -4.118 96 HG13 ILE 13 HG11 ILE 13 10.538 -2.218 -2.875 97 HG21 ILE 13 HG21 ILE 13 12.491 0.815 -3.579 98 HG22 ILE 13 HG22 ILE 13 13.044 -0.391 -4.740 99 HG23 ILE 13 HG23 ILE 13 14.077 0.069 -3.389 100 HD11 ILE 13 HD11 ILE 13 9.331 0.139 -2.636 101 HD12 ILE 13 HD12 ILE 13 10.903 0.617 -1.995 102 HD13 ILE 13 HD13 ILE 13 9.996 -0.687 -1.228 103 H ALA 14 HN ALA 14 14.549 -2.576 -1.214 104 HA ALA 14 HA ALA 14 16.897 -1.457 -2.150 105 HB1 ALA 14 HB1 ALA 14 17.992 -2.452 -0.266 106 HB2 ALA 14 HB2 ALA 14 16.720 -3.652 -0.128 107 HB3 ALA 14 HB3 ALA 14 16.368 -1.966 0.225 108 H CYS 15 HN CYS 15 16.762 -4.890 -1.425 109 HA CYS 15 HA CYS 15 18.905 -5.668 -2.997 110 HB2 CYS 15 HB2 CYS 15 16.925 -6.960 -1.444 111 HB3 CYS 15 HB1 CYS 15 16.959 -7.780 -3.009 112 H GLY 16 HN GLY 16 15.597 -5.027 -3.893 113 HA2 GLY 16 HA2 GLY 16 15.415 -6.333 -6.348 114 HA3 GLY 16 HA1 GLY 16 14.578 -4.836 -5.943 115 H GLN 17 HN GLN 17 15.581 -2.825 -6.424 116 HA GLN 17 HA GLN 17 16.764 -2.582 -8.900 117 HB2 GLN 17 HB2 GLN 17 17.181 -0.717 -6.553 118 HB3 GLN 17 HB1 GLN 17 17.374 -0.310 -8.259 119 HG2 GLN 17 HG2 GLN 17 14.867 -1.311 -8.325 120 HG3 GLN 17 HG1 GLN 17 14.890 -0.694 -6.674 121 HE21 GLN 17 HE21 GLN 17 16.366 0.571 -9.718 122 HE22 GLN 17 HE22 GLN 17 15.643 2.102 -9.596 123 H CYS 18 HN CYS 18 18.333 -2.974 -5.756 124 HA CYS 18 HA CYS 18 20.944 -2.407 -6.247 125 HB2 CYS 18 HB2 CYS 18 20.101 -3.330 -4.113 126 HB3 CYS 18 HB1 CYS 18 19.956 -4.911 -4.877 127 H ARG 19 HN ARG 19 20.028 -5.831 -6.443 128 HA ARG 19 HA ARG 19 22.137 -6.560 -8.126 129 HB2 ARG 19 HB2 ARG 19 19.433 -7.887 -7.833 130 HB3 ARG 19 HB1 ARG 19 20.885 -8.640 -8.488 131 HG2 ARG 19 HG2 ARG 19 20.610 -7.525 -5.679 132 HG3 ARG 19 HG1 ARG 19 20.538 -9.235 -6.101 133 HD2 ARG 19 HD2 ARG 19 22.760 -9.093 -5.568 134 HD3 ARG 19 HD1 ARG 19 22.859 -8.662 -7.269 135 HE ARG 19 HE ARG 19 22.598 -6.246 -6.248 136 HH11 ARG 19 HH21 ARG 19 24.417 -8.949 -5.066 137 HH12 ARG 19 HH22 ARG 19 25.615 -7.972 -4.289 138 HH21 ARG 19 HH11 ARG 19 24.174 -4.968 -5.239 139 HH22 ARG 19 HH12 ARG 19 25.481 -5.723 -4.389 140 H ASP 20 HN ASP 20 19.167 -5.011 -8.851 141 HA ASP 20 HA ASP 20 19.120 -5.756 -11.647 142 HB2 ASP 20 HB2 ASP 20 17.241 -4.741 -9.887 143 HB3 ASP 20 HB1 ASP 20 17.604 -3.366 -10.925 144 H LYS 21 HN LYS 21 20.903 -3.588 -9.771 145 HA LYS 21 HA LYS 21 21.301 -1.716 -12.005 146 HB2 LYS 21 HB2 LYS 21 21.788 -1.590 -9.051 147 HB3 LYS 21 HB1 LYS 21 22.698 -0.538 -10.134 148 HG2 LYS 21 HG2 LYS 21 19.778 -0.657 -10.633 149 HG3 LYS 21 HG1 LYS 21 20.266 0.104 -9.119 150 HD2 LYS 21 HD2 LYS 21 21.615 1.711 -10.236 151 HD3 LYS 21 HD1 LYS 21 21.556 0.811 -11.753 152 HE2 LYS 21 HE2 LYS 21 19.120 1.244 -11.910 153 HE3 LYS 21 HE1 LYS 21 19.193 2.166 -10.408 154 HZ1 LYS 21 HZ1 LYS 21 20.630 2.807 -12.927 155 HZ2 LYS 21 HZ2 LYS 21 20.770 3.675 -11.474 156 HZ3 LYS 21 HZ3 LYS 21 19.287 3.635 -12.302 157 H VAL 22 HN VAL 22 22.832 -4.204 -10.130 158 HA VAL 22 HA VAL 22 25.342 -3.781 -11.648 159 HB VAL 22 HB VAL 22 25.900 -5.455 -9.508 160 HG11 VAL 22 HG11 VAL 22 26.283 -2.472 -9.900 161 HG12 VAL 22 HG12 VAL 22 27.414 -3.747 -10.350 162 HG13 VAL 22 HG13 VAL 22 27.103 -3.403 -8.647 163 HG21 VAL 22 HG21 VAL 22 25.046 -4.359 -7.566 164 HG22 VAL 22 HG22 VAL 22 23.679 -4.770 -8.592 165 HG23 VAL 22 HG23 VAL 22 24.269 -3.104 -8.534 166 H LYS 23 HN LYS 23 23.909 -6.490 -9.827 167 HA LYS 23 HA LYS 23 24.880 -8.373 -11.763 168 HB2 LYS 23 HB2 LYS 23 22.904 -8.972 -9.576 169 HB3 LYS 23 HB1 LYS 23 24.088 -10.057 -10.303 170 HG2 LYS 23 HG2 LYS 23 24.693 -7.647 -8.562 171 HG3 LYS 23 HG1 LYS 23 24.893 -9.341 -8.110 172 HD2 LYS 23 HD2 LYS 23 26.445 -9.530 -10.147 173 HD3 LYS 23 HD1 LYS 23 26.452 -7.766 -10.157 174 HE2 LYS 23 HE2 LYS 23 27.235 -9.507 -7.802 175 HE3 LYS 23 HE1 LYS 23 28.357 -8.652 -8.860 176 HZ1 LYS 23 HZ1 LYS 23 28.076 -6.837 -7.655 177 HZ2 LYS 23 HZ2 LYS 23 27.025 -7.672 -6.614 178 HZ3 LYS 23 HZ3 LYS 23 26.408 -6.847 -7.965 179 H THR 24 HN THR 24 22.433 -10.089 -11.356 180 HA THR 24 HA THR 24 20.616 -8.739 -13.261 181 HB THR 24 HB THR 24 21.976 -10.405 -14.452 182 HG1 THR 24 HG1 THR 24 20.173 -11.686 -15.164 183 HG21 THR 24 HG21 THR 24 20.826 -12.770 -13.245 184 HG22 THR 24 HG22 THR 24 21.723 -11.837 -12.047 185 HG23 THR 24 HG23 THR 24 22.523 -12.377 -13.523 186 H ASP 25 HN ASP 25 18.555 -10.311 -13.440 187 HA ASP 25 HA ASP 25 17.171 -10.033 -11.012 188 HB2 ASP 25 HB2 ASP 25 16.595 -10.927 -13.675 189 HB3 ASP 25 HB1 ASP 25 15.899 -12.062 -12.521 190 H GLY 26 HN GLY 26 18.931 -12.746 -12.401 191 HA2 GLY 26 HA2 GLY 26 18.056 -14.846 -10.809 192 HA3 GLY 26 HA1 GLY 26 19.692 -14.702 -11.448 193 H TYR 27 HN TYR 27 20.434 -12.321 -10.092 194 HA TYR 27 HA TYR 27 21.213 -13.426 -7.568 195 HB2 TYR 27 HB2 TYR 27 22.047 -11.281 -9.239 196 HB3 TYR 27 HB1 TYR 27 21.690 -10.628 -7.641 197 HD1 TYR 27 HD2 TYR 27 22.775 -11.626 -5.607 198 HD2 TYR 27 HD1 TYR 27 23.943 -12.693 -9.601 199 HE1 TYR 27 HE2 TYR 27 24.893 -12.576 -4.734 200 HE2 TYR 27 HE1 TYR 27 26.061 -13.643 -8.728 201 HH TYR 27 HH TYR 27 26.573 -14.310 -5.482 202 H PHE 28 HN PHE 28 19.011 -10.845 -8.613 203 HA PHE 28 HA PHE 28 18.265 -9.751 -6.196 204 HB2 PHE 28 HB2 PHE 28 17.272 -8.739 -8.041 205 HB3 PHE 28 HB1 PHE 28 16.755 -10.276 -8.729 206 HD1 PHE 28 HD1 PHE 28 16.335 -8.608 -5.393 207 HD2 PHE 28 HD2 PHE 28 14.435 -10.495 -8.752 208 HE1 PHE 28 HE1 PHE 28 14.130 -8.360 -4.286 209 HE2 PHE 28 HE2 PHE 28 12.232 -10.248 -7.645 210 HZ PHE 28 HZ PHE 28 12.078 -9.181 -5.412 211 H TYR 29 HN TYR 29 17.065 -12.750 -7.663 212 HA TYR 29 HA TYR 29 15.167 -13.305 -5.599 213 HB2 TYR 29 HB2 TYR 29 15.259 -14.255 -7.996 214 HB3 TYR 29 HB1 TYR 29 16.448 -15.390 -7.355 215 HD1 TYR 29 HD1 TYR 29 12.950 -14.191 -7.040 216 HD2 TYR 29 HD2 TYR 29 15.809 -17.186 -5.900 217 HE1 TYR 29 HE1 TYR 29 11.122 -15.576 -6.096 218 HE2 TYR 29 HE2 TYR 29 13.982 -18.571 -4.955 219 HH TYR 29 HH TYR 29 10.599 -17.681 -5.372 220 H GLU 30 HN GLU 30 18.449 -14.502 -6.299 221 HA GLU 30 HA GLU 30 18.734 -16.338 -4.239 222 HB2 GLU 30 HB2 GLU 30 20.461 -14.924 -6.023 223 HB3 GLU 30 HB1 GLU 30 21.181 -14.911 -4.416 224 HG2 GLU 30 HG2 GLU 30 21.889 -16.913 -5.637 225 HG3 GLU 30 HG1 GLU 30 20.857 -17.367 -4.282 226 H CYS 31 HN CYS 31 19.121 -12.811 -4.141 227 HA CYS 31 HA CYS 31 20.019 -12.693 -1.452 228 HB2 CYS 31 HB2 CYS 31 20.469 -10.677 -2.414 229 HB3 CYS 31 HB1 CYS 31 19.079 -10.773 -3.497 230 H CYS 32 HN CYS 32 16.827 -12.000 -2.896 231 HA CYS 32 HA CYS 32 15.309 -11.408 -0.740 232 HB2 CYS 32 HB2 CYS 32 14.727 -13.122 -3.135 233 HB3 CYS 32 HB1 CYS 32 13.504 -12.912 -1.882 234 H THR 33 HN THR 33 16.562 -14.592 -1.578 235 HA THR 33 HA THR 33 15.176 -15.907 0.609 236 HB THR 33 HB THR 33 16.315 -17.915 -0.136 237 HG1 THR 33 HG1 THR 33 18.050 -17.842 -1.367 238 HG21 THR 33 HG21 THR 33 15.163 -16.109 -2.253 239 HG22 THR 33 HG22 THR 33 14.452 -17.537 -1.505 240 HG23 THR 33 HG23 THR 33 15.756 -17.714 -2.678 241 H SER 34 HN SER 34 18.523 -15.017 -0.189 242 HA SER 34 HA SER 34 19.413 -15.788 2.486 243 HB2 SER 34 HB2 SER 34 20.729 -15.134 -0.094 244 HB3 SER 34 HB1 SER 34 21.621 -14.749 1.374 245 HG SER 34 HG SER 34 21.854 -16.948 0.460 246 H ASP 35 HN ASP 35 19.466 -14.399 4.120 247 HA ASP 35 HA ASP 35 18.933 -11.591 3.697 248 HB2 ASP 35 HB2 ASP 35 19.330 -13.329 6.118 249 HB3 ASP 35 HB1 ASP 35 19.280 -11.573 6.262 250 H SER 36 HN SER 36 21.696 -13.610 4.433 251 HA SER 36 HA SER 36 23.466 -11.617 5.353 252 HB2 SER 36 HB2 SER 36 23.694 -14.234 5.273 253 HB3 SER 36 HB1 SER 36 24.436 -13.926 3.706 254 HG SER 36 HG SER 36 25.683 -12.271 5.003 255 H THR 37 HN THR 37 21.970 -11.866 2.396 256 HA THR 37 HA THR 37 24.203 -10.652 0.914 257 HB THR 37 HB THR 37 21.530 -11.553 -0.150 258 HG1 THR 37 HG1 THR 37 22.392 -13.412 0.446 259 HG21 THR 37 HG21 THR 37 22.681 -10.000 -1.616 260 HG22 THR 37 HG22 THR 37 22.829 -11.621 -2.295 261 HG23 THR 37 HG23 THR 37 24.189 -10.895 -1.438 262 H PHE 38 HN PHE 38 20.770 -10.128 1.695 263 HA PHE 38 HA PHE 38 20.466 -7.636 0.446 264 HB2 PHE 38 HB2 PHE 38 18.386 -8.078 1.156 265 HB3 PHE 38 HB1 PHE 38 18.982 -9.273 2.309 266 HD1 PHE 38 HD2 PHE 38 19.676 -8.581 4.594 267 HD2 PHE 38 HD1 PHE 38 17.882 -5.822 1.834 268 HE1 PHE 38 HE2 PHE 38 19.217 -7.012 6.460 269 HE2 PHE 38 HE1 PHE 38 17.424 -4.253 3.699 270 HZ PHE 38 HZ PHE 38 18.091 -4.849 6.013 271 H LYS 39 HN LYS 39 21.981 -8.537 3.455 272 HA LYS 39 HA LYS 39 21.991 -6.031 4.744 273 HB2 LYS 39 HB2 LYS 39 23.786 -6.920 6.099 274 HB3 LYS 39 HB1 LYS 39 22.603 -8.198 5.816 275 HG2 LYS 39 HG2 LYS 39 24.349 -9.446 5.103 276 HG3 LYS 39 HG1 LYS 39 24.311 -8.446 3.650 277 HD2 LYS 39 HD2 LYS 39 25.885 -6.856 4.703 278 HD3 LYS 39 HD1 LYS 39 25.937 -7.872 6.146 279 HE2 LYS 39 HE2 LYS 39 26.604 -8.986 3.422 280 HE3 LYS 39 HE1 LYS 39 27.825 -8.183 4.409 281 HZ1 LYS 39 HZ1 LYS 39 27.536 -10.703 4.639 282 HZ2 LYS 39 HZ2 LYS 39 26.143 -10.328 5.537 283 HZ3 LYS 39 HZ3 LYS 39 27.666 -9.780 6.057 284 H LYS 40 HN LYS 40 23.763 -7.242 2.042 285 HA LYS 40 HA LYS 40 25.823 -5.180 2.229 286 HB2 LYS 40 HB2 LYS 40 26.674 -7.242 1.456 287 HB3 LYS 40 HB1 LYS 40 25.324 -7.479 0.345 288 HG2 LYS 40 HG2 LYS 40 26.141 -5.931 -1.194 289 HG3 LYS 40 HG1 LYS 40 27.076 -5.063 0.024 290 HD2 LYS 40 HD2 LYS 40 28.500 -6.416 -1.533 291 HD3 LYS 40 HD1 LYS 40 28.684 -6.881 0.159 292 HE2 LYS 40 HE2 LYS 40 28.404 -8.798 -1.523 293 HE3 LYS 40 HE1 LYS 40 27.334 -8.825 -0.121 294 HZ1 LYS 40 HZ1 LYS 40 25.538 -8.404 -1.374 295 HZ2 LYS 40 HZ2 LYS 40 26.490 -9.015 -2.642 296 HZ3 LYS 40 HZ3 LYS 40 26.357 -7.337 -2.407 297 H CYS 41 HN CYS 41 23.114 -6.088 0.120 298 HA CYS 41 HA CYS 41 23.429 -4.003 -1.759 299 HB2 CYS 41 HB2 CYS 41 21.269 -5.897 -1.001 300 HB3 CYS 41 HB1 CYS 41 20.781 -4.449 -1.882 301 H GLN 42 HN GLN 42 21.202 -4.246 1.026 302 HA GLN 42 HA GLN 42 20.067 -1.723 0.868 303 HB2 GLN 42 HB2 GLN 42 19.545 -1.975 3.241 304 HB3 GLN 42 HB1 GLN 42 19.300 -3.508 2.403 305 HG2 GLN 42 HG2 GLN 42 20.559 -4.314 4.127 306 HG3 GLN 42 HG1 GLN 42 21.891 -3.794 3.096 307 HE21 GLN 42 HE21 GLN 42 23.405 -2.602 4.251 308 HE22 GLN 42 HE22 GLN 42 23.048 -1.562 5.545 309 H ASP 43 HN ASP 43 23.227 -2.702 1.963 310 HA ASP 43 HA ASP 43 23.873 -0.325 3.405 311 HB2 ASP 43 HB2 ASP 43 25.058 -2.764 3.127 312 HB3 ASP 43 HB1 ASP 43 26.080 -1.771 2.090 313 H LEU 44 HN LEU 44 23.670 -1.104 0.028 314 HA LEU 44 HA LEU 44 25.358 1.140 -0.721 315 HB2 LEU 44 HB2 LEU 44 25.775 -0.604 -2.212 316 HB3 LEU 44 HB1 LEU 44 24.115 -1.194 -2.150 317 HG LEU 44 HG LEU 44 23.365 0.727 -3.456 318 HD11 LEU 44 HD11 LEU 44 26.085 1.661 -2.828 319 HD12 LEU 44 HD12 LEU 44 24.665 2.601 -3.284 320 HD13 LEU 44 HD13 LEU 44 25.666 1.853 -4.527 321 HD21 LEU 44 HD21 LEU 44 24.403 0.148 -5.578 322 HD22 LEU 44 HD22 LEU 44 24.120 -1.306 -4.620 323 HD23 LEU 44 HD23 LEU 44 25.744 -0.625 -4.732 324 H LEU 45 HN LEU 45 22.035 -0.036 -1.297 325 HA LEU 45 HA LEU 45 21.066 2.207 -2.587 326 HB2 LEU 45 HB2 LEU 45 19.932 -0.125 -1.255 327 HB3 LEU 45 HB1 LEU 45 18.910 1.296 -1.053 328 HG LEU 45 HG LEU 45 18.295 0.070 -3.085 329 HD11 LEU 45 HD11 LEU 45 17.860 2.000 -4.160 330 HD12 LEU 45 HD12 LEU 45 19.576 2.330 -4.408 331 HD13 LEU 45 HD13 LEU 45 18.807 2.785 -2.892 332 HD21 LEU 45 HD21 LEU 45 20.408 0.559 -4.849 333 HD22 LEU 45 HD22 LEU 45 19.932 -1.001 -4.177 334 HD23 LEU 45 HD23 LEU 45 21.184 -0.052 -3.385 335 H HIS 46 HN HIS 46 21.104 1.478 0.868 336 HA HIS 46 HA HIS 46 20.262 4.254 1.423 337 HB2 HIS 46 HB2 HIS 46 19.383 1.931 2.530 338 HB3 HIS 46 HB1 HIS 46 20.640 2.391 3.678 339 HD1 HIS 46 HD1 HIS 46 20.281 4.549 5.052 340 HD2 HIS 46 HD2 HIS 46 17.184 3.760 2.376 341 HE1 HIS 46 HE1 HIS 46 18.393 6.123 5.659 Start of MODEL 6 1 HA ALA 1 HA ALA 1 12.812 -19.457 4.876 2 HB1 ALA 1 HB1 ALA 1 10.612 -21.203 3.934 3 HB2 ALA 1 HB2 ALA 1 11.903 -22.021 4.814 4 HB3 ALA 1 HB3 ALA 1 12.278 -21.084 3.367 5 H ASP 2 HN ASP 2 10.132 -18.955 6.713 6 HA ASP 2 HA ASP 2 8.616 -17.526 4.639 7 HB2 ASP 2 HB2 ASP 2 7.066 -17.167 6.731 8 HB3 ASP 2 HB1 ASP 2 7.092 -18.726 5.908 9 H ASN 3 HN ASN 3 10.503 -15.993 4.534 10 HA ASN 3 HA ASN 3 9.861 -13.550 5.756 11 HB2 ASN 3 HB2 ASN 3 12.118 -13.482 7.122 12 HB3 ASN 3 HB1 ASN 3 10.652 -14.138 7.846 13 HD21 ASN 3 HD21 ASN 3 13.736 -15.066 6.315 14 HD22 ASN 3 HD22 ASN 3 13.736 -16.656 6.909 15 H LYS 4 HN LYS 4 10.177 -13.015 3.536 16 HA LYS 4 HA LYS 4 12.954 -12.344 2.928 17 HB2 LYS 4 HB2 LYS 4 12.722 -13.314 0.619 18 HB3 LYS 4 HB1 LYS 4 12.772 -14.517 1.902 19 HG2 LYS 4 HG2 LYS 4 10.347 -14.738 1.866 20 HG3 LYS 4 HG1 LYS 4 10.214 -13.450 0.672 21 HD2 LYS 4 HD2 LYS 4 11.690 -14.870 -0.846 22 HD3 LYS 4 HD1 LYS 4 11.450 -16.185 0.307 23 HE2 LYS 4 HE2 LYS 4 9.805 -16.324 -1.523 24 HE3 LYS 4 HE1 LYS 4 9.005 -16.000 0.015 25 HZ1 LYS 4 HZ1 LYS 4 8.239 -14.589 -1.863 26 HZ2 LYS 4 HZ2 LYS 4 9.784 -13.884 -1.915 27 HZ3 LYS 4 HZ3 LYS 4 8.813 -13.710 -0.531 28 H CYS 5 HN CYS 5 11.678 -12.103 0.044 29 HA CYS 5 HA CYS 5 11.123 -9.302 0.247 30 HB2 CYS 5 HB2 CYS 5 10.198 -10.411 -2.238 31 HB3 CYS 5 HB1 CYS 5 11.592 -9.373 -1.944 32 H GLU 6 HN GLU 6 9.329 -11.482 1.536 33 HA GLU 6 HA GLU 6 6.761 -10.736 0.311 34 HB2 GLU 6 HB2 GLU 6 5.806 -12.590 1.473 35 HB3 GLU 6 HB1 GLU 6 7.332 -13.161 0.796 36 HG2 GLU 6 HG2 GLU 6 8.382 -12.522 3.053 37 HG3 GLU 6 HG1 GLU 6 6.730 -12.404 3.658 38 H ASN 7 HN ASN 7 8.803 -9.811 2.809 39 HA ASN 7 HA ASN 7 6.761 -9.095 4.730 40 HB2 ASN 7 HB2 ASN 7 9.709 -8.443 4.561 41 HB3 ASN 7 HB1 ASN 7 8.665 -7.963 5.896 42 HD21 ASN 7 HD21 ASN 7 7.781 -10.991 4.510 43 HD22 ASN 7 HD22 ASN 7 8.491 -11.985 5.688 44 H SER 8 HN SER 8 8.958 -6.612 4.610 45 HA SER 8 HA SER 8 6.950 -4.735 3.703 46 HB2 SER 8 HB2 SER 8 9.675 -3.731 4.165 47 HB3 SER 8 HB1 SER 8 8.143 -3.191 4.846 48 HG SER 8 HG SER 8 8.349 -4.590 6.449 49 H LEU 9 HN LEU 9 7.001 -3.502 1.863 50 HA LEU 9 HA LEU 9 8.124 -4.553 -0.465 51 HB2 LEU 9 HB2 LEU 9 7.341 -1.674 0.045 52 HB3 LEU 9 HB1 LEU 9 7.485 -2.452 -1.530 53 HG LEU 9 HG LEU 9 5.567 -3.298 0.663 54 HD11 LEU 9 HD11 LEU 9 4.142 -1.755 -0.133 55 HD12 LEU 9 HD12 LEU 9 4.299 -2.423 -1.757 56 HD13 LEU 9 HD13 LEU 9 5.406 -1.164 -1.211 57 HD21 LEU 9 HD21 LEU 9 6.275 -4.373 -2.045 58 HD22 LEU 9 HD22 LEU 9 4.595 -4.470 -1.520 59 HD23 LEU 9 HD23 LEU 9 5.862 -5.243 -0.568 60 H ARG 10 HN ARG 10 9.414 -2.275 1.861 61 HA ARG 10 HA ARG 10 11.477 -1.118 0.397 62 HB2 ARG 10 HB2 ARG 10 11.377 -1.923 3.311 63 HB3 ARG 10 HB1 ARG 10 12.651 -0.926 2.609 64 HG2 ARG 10 HG2 ARG 10 10.849 0.651 1.799 65 HG3 ARG 10 HG1 ARG 10 9.696 -0.284 2.749 66 HD2 ARG 10 HD2 ARG 10 11.937 1.470 3.683 67 HD3 ARG 10 HD1 ARG 10 10.282 1.368 4.275 68 HE ARG 10 HE ARG 10 12.519 -0.303 5.084 69 HH11 ARG 10 HH21 ARG 10 9.092 0.138 4.909 70 HH12 ARG 10 HH22 ARG 10 8.747 -0.940 6.220 71 HH21 ARG 10 HH11 ARG 10 12.075 -1.716 6.806 72 HH22 ARG 10 HH12 ARG 10 10.436 -1.989 7.295 73 H ARG 11 HN ARG 11 11.287 -4.289 1.922 74 HA ARG 11 HA ARG 11 14.016 -4.997 1.645 75 HB2 ARG 11 HB2 ARG 11 11.647 -6.877 1.627 76 HB3 ARG 11 HB1 ARG 11 13.304 -7.246 2.108 77 HG2 ARG 11 HG2 ARG 11 12.607 -5.038 3.673 78 HG3 ARG 11 HG1 ARG 11 11.160 -6.047 3.672 79 HD2 ARG 11 HD2 ARG 11 13.961 -6.989 4.349 80 HD3 ARG 11 HD1 ARG 11 12.680 -6.671 5.515 81 HE ARG 11 HE ARG 11 11.669 -8.508 3.669 82 HH11 ARG 11 HH21 ARG 11 14.203 -8.252 6.011 83 HH12 ARG 11 HH22 ARG 11 14.218 -9.943 6.383 84 HH21 ARG 11 HH11 ARG 11 11.683 -10.728 4.152 85 HH22 ARG 11 HH12 ARG 11 12.791 -11.345 5.331 86 H GLU 12 HN GLU 12 11.175 -5.604 -0.404 87 HA GLU 12 HA GLU 12 12.541 -7.076 -2.399 88 HB2 GLU 12 HB2 GLU 12 10.059 -7.030 -2.109 89 HB3 GLU 12 HB1 GLU 12 10.056 -5.378 -2.728 90 HG2 GLU 12 HG2 GLU 12 11.580 -7.012 -4.524 91 HG3 GLU 12 HG1 GLU 12 10.036 -7.805 -4.221 92 H ILE 13 HN ILE 13 12.019 -3.635 -1.891 93 HA ILE 13 HA ILE 13 12.928 -2.822 -4.480 94 HB ILE 13 HB ILE 13 12.748 -1.283 -1.875 95 HG12 ILE 13 HG12 ILE 13 10.891 -1.083 -4.244 96 HG13 ILE 13 HG11 ILE 13 10.636 -2.320 -3.014 97 HG21 ILE 13 HG21 ILE 13 12.738 0.698 -3.434 98 HG22 ILE 13 HG22 ILE 13 13.180 -0.398 -4.742 99 HG23 ILE 13 HG23 ILE 13 14.276 -0.161 -3.383 100 HD11 ILE 13 HD11 ILE 13 9.629 0.213 -2.860 101 HD12 ILE 13 HD12 ILE 13 11.131 0.399 -1.957 102 HD13 ILE 13 HD13 ILE 13 9.943 -0.806 -1.456 103 H ALA 14 HN ALA 14 14.414 -3.021 -1.277 104 HA ALA 14 HA ALA 14 16.904 -1.972 -1.852 105 HB1 ALA 14 HB1 ALA 14 17.716 -3.353 0.026 106 HB2 ALA 14 HB2 ALA 14 16.172 -4.190 0.009 107 HB3 ALA 14 HB3 ALA 14 16.230 -2.480 0.402 108 H CYS 15 HN CYS 15 16.403 -5.431 -1.435 109 HA CYS 15 HA CYS 15 18.682 -6.311 -2.732 110 HB2 CYS 15 HB2 CYS 15 16.328 -7.487 -1.655 111 HB3 CYS 15 HB1 CYS 15 16.593 -8.188 -3.255 112 H GLY 16 HN GLY 16 15.623 -5.269 -4.058 113 HA2 GLY 16 HA2 GLY 16 15.890 -6.302 -6.677 114 HA3 GLY 16 HA1 GLY 16 14.902 -4.918 -6.210 115 H GLN 17 HN GLN 17 16.007 -2.832 -5.961 116 HA GLN 17 HA GLN 17 17.306 -1.889 -8.133 117 HB2 GLN 17 HB2 GLN 17 17.773 -1.038 -5.270 118 HB3 GLN 17 HB1 GLN 17 18.252 -0.101 -6.686 119 HG2 GLN 17 HG2 GLN 17 15.446 -1.017 -6.711 120 HG3 GLN 17 HG1 GLN 17 15.827 0.137 -5.436 121 HE21 GLN 17 HE21 GLN 17 15.294 -0.212 -8.857 122 HE22 GLN 17 HE22 GLN 17 15.604 1.403 -9.274 123 H CYS 18 HN CYS 18 18.765 -3.546 -5.405 124 HA CYS 18 HA CYS 18 21.470 -3.121 -6.008 125 HB2 CYS 18 HB2 CYS 18 19.982 -5.240 -4.498 126 HB3 CYS 18 HB1 CYS 18 21.701 -5.446 -4.826 127 H ARG 19 HN ARG 19 20.049 -6.359 -6.367 128 HA ARG 19 HA ARG 19 21.912 -7.113 -8.337 129 HB2 ARG 19 HB2 ARG 19 19.348 -8.253 -7.325 130 HB3 ARG 19 HB1 ARG 19 20.094 -8.941 -8.765 131 HG2 ARG 19 HG2 ARG 19 20.850 -10.121 -6.735 132 HG3 ARG 19 HG1 ARG 19 22.191 -9.302 -7.521 133 HD2 ARG 19 HD2 ARG 19 20.738 -7.735 -5.466 134 HD3 ARG 19 HD1 ARG 19 21.680 -9.097 -4.882 135 HE ARG 19 HE ARG 19 23.057 -7.297 -6.718 136 HH11 ARG 19 HH21 ARG 19 22.338 -8.239 -3.462 137 HH12 ARG 19 HH22 ARG 19 23.745 -7.488 -2.790 138 HH21 ARG 19 HH11 ARG 19 24.905 -6.311 -5.835 139 HH22 ARG 19 HH12 ARG 19 25.195 -6.396 -4.130 140 H ASP 20 HN ASP 20 19.731 -4.787 -8.720 141 HA ASP 20 HA ASP 20 18.948 -5.569 -11.453 142 HB2 ASP 20 HB2 ASP 20 17.034 -4.927 -10.230 143 HB3 ASP 20 HB1 ASP 20 17.876 -3.575 -9.495 144 H LYS 21 HN LYS 21 21.050 -3.525 -9.647 145 HA LYS 21 HA LYS 21 21.502 -1.806 -12.013 146 HB2 LYS 21 HB2 LYS 21 22.468 -0.179 -10.541 147 HB3 LYS 21 HB1 LYS 21 20.953 -0.702 -9.803 148 HG2 LYS 21 HG2 LYS 21 22.242 -2.300 -8.405 149 HG3 LYS 21 HG1 LYS 21 23.738 -1.660 -9.062 150 HD2 LYS 21 HD2 LYS 21 22.213 0.557 -8.204 151 HD3 LYS 21 HD1 LYS 21 22.129 -0.647 -6.916 152 HE2 LYS 21 HE2 LYS 21 24.584 -0.874 -6.969 153 HE3 LYS 21 HE1 LYS 21 24.669 0.358 -8.228 154 HZ1 LYS 21 HZ1 LYS 21 23.680 1.940 -6.724 155 HZ2 LYS 21 HZ2 LYS 21 25.067 1.267 -6.012 156 HZ3 LYS 21 HZ3 LYS 21 23.523 0.756 -5.520 157 H VAL 22 HN VAL 22 22.818 -4.335 -10.130 158 HA VAL 22 HA VAL 22 25.430 -4.016 -11.471 159 HB VAL 22 HB VAL 22 26.001 -5.674 -9.471 160 HG11 VAL 22 HG11 VAL 22 26.693 -3.612 -8.172 161 HG12 VAL 22 HG12 VAL 22 25.847 -2.665 -9.393 162 HG13 VAL 22 HG13 VAL 22 27.239 -3.648 -9.850 163 HG21 VAL 22 HG21 VAL 22 23.914 -3.877 -8.312 164 HG22 VAL 22 HG22 VAL 22 24.846 -5.081 -7.445 165 HG23 VAL 22 HG23 VAL 22 23.652 -5.574 -8.639 166 H LYS 23 HN LYS 23 23.175 -6.439 -10.111 167 HA LYS 23 HA LYS 23 24.263 -8.387 -12.004 168 HB2 LYS 23 HB2 LYS 23 22.302 -8.937 -9.797 169 HB3 LYS 23 HB1 LYS 23 23.315 -10.094 -10.657 170 HG2 LYS 23 HG2 LYS 23 24.294 -7.896 -8.814 171 HG3 LYS 23 HG1 LYS 23 24.299 -9.625 -8.468 172 HD2 LYS 23 HD2 LYS 23 25.682 -9.799 -10.687 173 HD3 LYS 23 HD1 LYS 23 25.997 -8.086 -10.413 174 HE2 LYS 23 HE2 LYS 23 26.866 -8.595 -8.165 175 HE3 LYS 23 HE1 LYS 23 26.542 -10.309 -8.423 176 HZ1 LYS 23 HZ1 LYS 23 28.462 -8.594 -9.891 177 HZ2 LYS 23 HZ2 LYS 23 28.022 -10.151 -10.407 178 HZ3 LYS 23 HZ3 LYS 23 28.811 -9.938 -8.918 179 H THR 24 HN THR 24 21.396 -9.605 -11.207 180 HA THR 24 HA THR 24 19.722 -8.125 -13.077 181 HB THR 24 HB THR 24 20.854 -9.551 -14.645 182 HG1 THR 24 HG1 THR 24 18.465 -10.909 -13.994 183 HG21 THR 24 HG21 THR 24 20.269 -12.172 -13.903 184 HG22 THR 24 HG22 THR 24 20.785 -11.408 -12.400 185 HG23 THR 24 HG23 THR 24 21.848 -11.393 -13.807 186 H ASP 25 HN ASP 25 17.574 -9.506 -13.357 187 HA ASP 25 HA ASP 25 16.444 -9.719 -10.758 188 HB2 ASP 25 HB2 ASP 25 14.442 -10.593 -11.997 189 HB3 ASP 25 HB1 ASP 25 15.039 -9.044 -12.588 190 H GLY 26 HN GLY 26 18.406 -11.814 -12.437 191 HA2 GLY 26 HA2 GLY 26 17.161 -14.285 -11.514 192 HA3 GLY 26 HA1 GLY 26 18.640 -14.147 -12.462 193 H TYR 27 HN TYR 27 19.526 -12.009 -10.462 194 HA TYR 27 HA TYR 27 20.665 -13.908 -8.529 195 HB2 TYR 27 HB2 TYR 27 21.542 -11.314 -9.702 196 HB3 TYR 27 HB1 TYR 27 22.056 -11.675 -8.054 197 HD1 TYR 27 HD1 TYR 27 21.795 -13.319 -11.417 198 HD2 TYR 27 HD2 TYR 27 23.984 -12.964 -7.738 199 HE1 TYR 27 HE1 TYR 27 23.525 -14.863 -12.298 200 HE2 TYR 27 HE2 TYR 27 25.714 -14.508 -8.619 201 HH TYR 27 HH TYR 27 25.321 -16.110 -11.758 202 H PHE 28 HN PHE 28 18.544 -11.177 -8.799 203 HA PHE 28 HA PHE 28 18.564 -10.142 -6.217 204 HB2 PHE 28 HB2 PHE 28 17.095 -8.869 -7.365 205 HB3 PHE 28 HB1 PHE 28 16.706 -10.180 -8.478 206 HD1 PHE 28 HD2 PHE 28 15.015 -11.905 -7.846 207 HD2 PHE 28 HD1 PHE 28 15.752 -8.436 -5.424 208 HE1 PHE 28 HE2 PHE 28 12.881 -12.293 -6.644 209 HE2 PHE 28 HE1 PHE 28 13.617 -8.823 -4.221 210 HZ PHE 28 HZ PHE 28 12.183 -10.751 -4.831 211 H TYR 29 HN TYR 29 17.171 -13.112 -7.445 212 HA TYR 29 HA TYR 29 15.525 -13.686 -5.192 213 HB2 TYR 29 HB2 TYR 29 15.836 -14.780 -7.679 214 HB3 TYR 29 HB1 TYR 29 16.625 -15.987 -6.661 215 HD1 TYR 29 HD2 TYR 29 15.369 -16.920 -4.662 216 HD2 TYR 29 HD1 TYR 29 13.473 -14.550 -7.701 217 HE1 TYR 29 HE2 TYR 29 13.152 -17.756 -3.930 218 HE2 TYR 29 HE1 TYR 29 11.256 -15.386 -6.969 219 HH TYR 29 HH TYR 29 10.947 -17.562 -4.168 220 H GLU 30 HN GLU 30 18.823 -14.613 -6.110 221 HA GLU 30 HA GLU 30 19.359 -16.365 -3.994 222 HB2 GLU 30 HB2 GLU 30 20.956 -14.809 -5.934 223 HB3 GLU 30 HB1 GLU 30 21.795 -15.255 -4.450 224 HG2 GLU 30 HG2 GLU 30 21.475 -17.562 -4.814 225 HG3 GLU 30 HG1 GLU 30 20.183 -17.289 -5.983 226 H CYS 31 HN CYS 31 19.645 -12.822 -4.181 227 HA CYS 31 HA CYS 31 20.861 -12.570 -1.610 228 HB2 CYS 31 HB2 CYS 31 20.762 -10.274 -2.009 229 HB3 CYS 31 HB1 CYS 31 20.883 -10.943 -3.623 230 H CYS 32 HN CYS 32 17.556 -12.252 -2.864 231 HA CYS 32 HA CYS 32 16.292 -11.311 -0.566 232 HB2 CYS 32 HB2 CYS 32 15.499 -12.325 -3.086 233 HB3 CYS 32 HB1 CYS 32 14.613 -13.244 -1.867 234 H THR 33 HN THR 33 17.391 -14.539 -1.393 235 HA THR 33 HA THR 33 16.041 -15.775 0.859 236 HB THR 33 HB THR 33 17.257 -17.811 0.131 237 HG1 THR 33 HG1 THR 33 18.198 -16.284 -2.036 238 HG21 THR 33 HG21 THR 33 15.683 -16.150 -1.815 239 HG22 THR 33 HG22 THR 33 15.196 -17.608 -0.950 240 HG23 THR 33 HG23 THR 33 16.313 -17.721 -2.310 241 H SER 34 HN SER 34 19.408 -15.057 -0.066 242 HA SER 34 HA SER 34 20.483 -15.941 2.444 243 HB2 SER 34 HB2 SER 34 21.666 -14.290 0.205 244 HB3 SER 34 HB1 SER 34 22.574 -14.832 1.614 245 HG SER 34 HG SER 34 22.223 -16.938 1.006 246 H ASP 35 HN ASP 35 21.286 -14.692 4.143 247 HA ASP 35 HA ASP 35 19.927 -12.132 4.500 248 HB2 ASP 35 HB2 ASP 35 21.480 -13.939 6.351 249 HB3 ASP 35 HB1 ASP 35 20.916 -12.340 6.836 250 H SER 36 HN SER 36 23.244 -13.335 5.088 251 HA SER 36 HA SER 36 24.591 -11.020 5.519 252 HB2 SER 36 HB2 SER 36 26.165 -12.636 5.519 253 HB3 SER 36 HB1 SER 36 25.277 -13.618 4.359 254 HG SER 36 HG SER 36 27.307 -11.814 3.975 255 H THR 37 HN THR 37 23.352 -12.165 2.433 256 HA THR 37 HA THR 37 24.651 -10.164 0.845 257 HB THR 37 HB THR 37 22.129 -11.657 0.125 258 HG1 THR 37 HG1 THR 37 24.272 -12.780 0.921 259 HG21 THR 37 HG21 THR 37 23.076 -9.766 -1.317 260 HG22 THR 37 HG22 THR 37 22.843 -11.319 -2.121 261 HG23 THR 37 HG23 THR 37 24.456 -10.824 -1.611 262 H PHE 38 HN PHE 38 21.245 -10.601 1.835 263 HA PHE 38 HA PHE 38 20.206 -8.225 0.882 264 HB2 PHE 38 HB2 PHE 38 18.573 -9.616 1.737 265 HB3 PHE 38 HB1 PHE 38 19.513 -10.013 3.175 266 HD1 PHE 38 HD1 PHE 38 18.005 -6.999 1.516 267 HD2 PHE 38 HD2 PHE 38 18.839 -9.054 5.196 268 HE1 PHE 38 HE1 PHE 38 16.814 -5.228 2.776 269 HE2 PHE 38 HE2 PHE 38 17.646 -7.282 6.455 270 HZ PHE 38 HZ PHE 38 16.634 -5.368 5.245 271 H LYS 39 HN LYS 39 21.985 -8.824 3.872 272 HA LYS 39 HA LYS 39 21.602 -6.248 5.009 273 HB2 LYS 39 HB2 LYS 39 23.559 -8.485 5.460 274 HB3 LYS 39 HB1 LYS 39 23.775 -6.931 6.270 275 HG2 LYS 39 HG2 LYS 39 21.046 -8.117 6.336 276 HG3 LYS 39 HG1 LYS 39 22.274 -8.896 7.332 277 HD2 LYS 39 HD2 LYS 39 21.762 -5.910 7.363 278 HD3 LYS 39 HD1 LYS 39 20.973 -7.027 8.473 279 HE2 LYS 39 HE2 LYS 39 22.773 -6.908 9.819 280 HE3 LYS 39 HE1 LYS 39 23.757 -7.625 8.545 281 HZ1 LYS 39 HZ1 LYS 39 23.325 -4.963 7.863 282 HZ2 LYS 39 HZ2 LYS 39 24.785 -5.693 8.334 283 HZ3 LYS 39 HZ3 LYS 39 23.774 -4.979 9.498 284 H LYS 40 HN LYS 40 23.742 -7.498 2.579 285 HA LYS 40 HA LYS 40 25.584 -5.262 2.723 286 HB2 LYS 40 HB2 LYS 40 26.199 -7.635 2.015 287 HB3 LYS 40 HB1 LYS 40 25.361 -7.295 0.500 288 HG2 LYS 40 HG2 LYS 40 26.942 -5.062 0.787 289 HG3 LYS 40 HG1 LYS 40 27.973 -6.330 1.453 290 HD2 LYS 40 HD2 LYS 40 27.510 -7.692 -0.614 291 HD3 LYS 40 HD1 LYS 40 26.675 -6.290 -1.286 292 HE2 LYS 40 HE2 LYS 40 29.589 -6.710 -0.801 293 HE3 LYS 40 HE1 LYS 40 28.780 -5.884 -2.133 294 HZ1 LYS 40 HZ1 LYS 40 29.957 -4.355 -0.641 295 HZ2 LYS 40 HZ2 LYS 40 28.963 -4.849 0.645 296 HZ3 LYS 40 HZ3 LYS 40 28.290 -4.043 -0.691 297 H CYS 41 HN CYS 41 22.724 -6.168 0.952 298 HA CYS 41 HA CYS 41 23.032 -4.306 -1.189 299 HB2 CYS 41 HB2 CYS 41 21.542 -6.137 -1.529 300 HB3 CYS 41 HB1 CYS 41 20.632 -5.755 -0.066 301 H GLN 42 HN GLN 42 20.652 -4.253 1.469 302 HA GLN 42 HA GLN 42 19.669 -1.744 1.242 303 HB2 GLN 42 HB2 GLN 42 19.084 -1.830 3.537 304 HB3 GLN 42 HB1 GLN 42 19.147 -3.516 3.024 305 HG2 GLN 42 HG2 GLN 42 21.618 -3.444 3.800 306 HG3 GLN 42 HG1 GLN 42 21.159 -1.975 4.658 307 HE21 GLN 42 HE21 GLN 42 19.272 -5.002 4.154 308 HE22 GLN 42 HE22 GLN 42 19.070 -5.322 5.808 309 H ASP 43 HN ASP 43 22.822 -2.668 2.519 310 HA ASP 43 HA ASP 43 23.552 -0.152 3.595 311 HB2 ASP 43 HB2 ASP 43 24.701 -2.662 3.475 312 HB3 ASP 43 HB1 ASP 43 25.762 -1.695 2.452 313 H LEU 44 HN LEU 44 23.799 -1.549 0.375 314 HA LEU 44 HA LEU 44 25.349 0.621 -0.707 315 HB2 LEU 44 HB2 LEU 44 24.023 -1.830 -1.776 316 HB3 LEU 44 HB1 LEU 44 24.377 -0.527 -2.909 317 HG LEU 44 HG LEU 44 26.544 -1.330 -1.014 318 HD11 LEU 44 HD11 LEU 44 25.440 -3.034 -3.226 319 HD12 LEU 44 HD12 LEU 44 26.073 -3.520 -1.652 320 HD13 LEU 44 HD13 LEU 44 27.178 -3.020 -2.932 321 HD21 LEU 44 HD21 LEU 44 27.929 -0.471 -2.681 322 HD22 LEU 44 HD22 LEU 44 26.481 0.507 -2.921 323 HD23 LEU 44 HD23 LEU 44 26.797 -0.875 -3.972 324 H LEU 45 HN LEU 45 21.951 -0.436 -1.117 325 HA LEU 45 HA LEU 45 21.098 1.669 -2.701 326 HB2 LEU 45 HB2 LEU 45 19.867 -0.364 -1.022 327 HB3 LEU 45 HB1 LEU 45 18.945 1.138 -1.005 328 HG LEU 45 HG LEU 45 18.201 -0.344 -2.821 329 HD11 LEU 45 HD11 LEU 45 17.782 1.451 -4.101 330 HD12 LEU 45 HD12 LEU 45 19.486 1.646 -4.506 331 HD13 LEU 45 HD13 LEU 45 18.848 2.355 -3.023 332 HD21 LEU 45 HD21 LEU 45 20.406 -0.093 -4.625 333 HD22 LEU 45 HD22 LEU 45 19.689 -1.563 -3.963 334 HD23 LEU 45 HD23 LEU 45 21.007 -0.773 -3.112 335 H HIS 46 HN HIS 46 21.120 1.432 0.848 336 HA HIS 46 HA HIS 46 20.806 3.074 2.457 337 HB2 HIS 46 HB2 HIS 46 22.923 3.883 2.230 338 HB3 HIS 46 HB1 HIS 46 22.772 4.073 0.482 339 HD1 HIS 46 HD1 HIS 46 20.750 5.661 3.309 340 HD2 HIS 46 HD2 HIS 46 23.104 6.785 0.056 341 HE1 HIS 46 HE1 HIS 46 20.637 8.188 3.182 Start of MODEL 7 1 HA ALA 1 HA ALA 1 16.482 -15.086 8.496 2 HB1 ALA 1 HB1 ALA 1 16.711 -16.828 10.092 3 HB2 ALA 1 HB2 ALA 1 15.515 -17.431 8.946 4 HB3 ALA 1 HB3 ALA 1 14.996 -16.785 10.503 5 H ASP 2 HN ASP 2 13.262 -14.542 9.719 6 HA ASP 2 HA ASP 2 12.016 -15.395 7.214 7 HB2 ASP 2 HB2 ASP 2 10.739 -14.193 9.681 8 HB3 ASP 2 HB1 ASP 2 9.909 -14.987 8.344 9 H ASN 3 HN ASN 3 13.148 -13.729 5.957 10 HA ASN 3 HA ASN 3 11.502 -11.365 5.691 11 HB2 ASN 3 HB2 ASN 3 14.351 -11.198 6.659 12 HB3 ASN 3 HB1 ASN 3 13.584 -9.865 5.796 13 HD21 ASN 3 HD21 ASN 3 11.484 -9.036 6.796 14 HD22 ASN 3 HD22 ASN 3 11.319 -9.116 8.483 15 H LYS 4 HN LYS 4 11.105 -12.149 3.614 16 HA LYS 4 HA LYS 4 13.386 -11.903 1.748 17 HB2 LYS 4 HB2 LYS 4 11.217 -13.737 0.959 18 HB3 LYS 4 HB1 LYS 4 12.958 -13.903 0.766 19 HG2 LYS 4 HG2 LYS 4 13.040 -14.268 3.311 20 HG3 LYS 4 HG1 LYS 4 11.295 -14.497 3.215 21 HD2 LYS 4 HD2 LYS 4 13.445 -16.116 1.832 22 HD3 LYS 4 HD1 LYS 4 12.286 -16.677 3.037 23 HE2 LYS 4 HE2 LYS 4 10.465 -15.961 1.363 24 HE3 LYS 4 HE1 LYS 4 11.763 -15.879 0.173 25 HZ1 LYS 4 HZ1 LYS 4 10.404 -18.142 1.111 26 HZ2 LYS 4 HZ2 LYS 4 12.033 -18.275 1.576 27 HZ3 LYS 4 HZ3 LYS 4 11.627 -18.059 -0.060 28 H CYS 5 HN CYS 5 11.729 -12.431 -0.540 29 HA CYS 5 HA CYS 5 10.806 -9.805 -1.076 30 HB2 CYS 5 HB2 CYS 5 10.642 -12.438 -2.500 31 HB3 CYS 5 HB1 CYS 5 9.696 -11.070 -3.085 32 H GLU 6 HN GLU 6 9.479 -11.978 0.945 33 HA GLU 6 HA GLU 6 6.689 -11.314 0.237 34 HB2 GLU 6 HB2 GLU 6 6.137 -13.146 1.881 35 HB3 GLU 6 HB1 GLU 6 7.001 -13.682 0.440 36 HG2 GLU 6 HG2 GLU 6 8.960 -14.093 1.594 37 HG3 GLU 6 HG1 GLU 6 8.621 -12.876 2.821 38 H ASN 7 HN ASN 7 9.102 -10.102 2.050 39 HA ASN 7 HA ASN 7 7.729 -9.692 4.553 40 HB2 ASN 7 HB2 ASN 7 10.208 -9.790 4.383 41 HB3 ASN 7 HB1 ASN 7 10.180 -8.297 3.451 42 HD21 ASN 7 HD21 ASN 7 9.132 -9.611 6.635 43 HD22 ASN 7 HD22 ASN 7 9.310 -8.139 7.462 44 H SER 8 HN SER 8 9.166 -7.097 2.630 45 HA SER 8 HA SER 8 6.554 -5.770 2.434 46 HB2 SER 8 HB2 SER 8 8.866 -4.099 3.291 47 HB3 SER 8 HB1 SER 8 7.148 -3.895 3.622 48 HG SER 8 HG SER 8 9.063 -5.490 4.894 49 H LEU 9 HN LEU 9 6.795 -3.700 1.104 50 HA LEU 9 HA LEU 9 7.977 -4.371 -1.400 51 HB2 LEU 9 HB2 LEU 9 7.329 -1.977 -1.978 52 HB3 LEU 9 HB1 LEU 9 6.011 -3.028 -1.456 53 HG LEU 9 HG LEU 9 7.267 -1.758 0.829 54 HD11 LEU 9 HD11 LEU 9 6.433 0.551 0.285 55 HD12 LEU 9 HD12 LEU 9 6.225 0.027 -1.386 56 HD13 LEU 9 HD13 LEU 9 7.833 0.056 -0.663 57 HD21 LEU 9 HD21 LEU 9 4.960 -1.180 1.330 58 HD22 LEU 9 HD22 LEU 9 4.991 -2.818 0.677 59 HD23 LEU 9 HD23 LEU 9 4.482 -1.471 -0.343 60 H ARG 10 HN ARG 10 8.928 -2.324 1.300 61 HA ARG 10 HA ARG 10 11.016 -0.903 0.076 62 HB2 ARG 10 HB2 ARG 10 10.693 -1.834 2.939 63 HB3 ARG 10 HB1 ARG 10 11.922 -0.690 2.400 64 HG2 ARG 10 HG2 ARG 10 9.088 -0.138 1.637 65 HG3 ARG 10 HG1 ARG 10 9.553 0.140 3.315 66 HD2 ARG 10 HD2 ARG 10 11.358 1.620 2.614 67 HD3 ARG 10 HD1 ARG 10 11.025 1.275 0.920 68 HE ARG 10 HE ARG 10 9.322 2.836 1.019 69 HH11 ARG 10 HH21 ARG 10 10.119 1.701 4.189 70 HH12 ARG 10 HH22 ARG 10 9.055 2.802 5.001 71 HH21 ARG 10 HH11 ARG 10 7.925 4.281 2.076 72 HH22 ARG 10 HH12 ARG 10 7.814 4.262 3.804 73 H ARG 11 HN ARG 11 10.981 -4.065 1.682 74 HA ARG 11 HA ARG 11 13.763 -4.564 1.502 75 HB2 ARG 11 HB2 ARG 11 11.532 -6.609 1.495 76 HB3 ARG 11 HB1 ARG 11 13.203 -6.865 1.997 77 HG2 ARG 11 HG2 ARG 11 11.279 -4.924 3.315 78 HG3 ARG 11 HG1 ARG 11 11.667 -6.527 3.937 79 HD2 ARG 11 HD2 ARG 11 13.266 -5.389 5.106 80 HD3 ARG 11 HD1 ARG 11 14.170 -5.535 3.604 81 HE ARG 11 HE ARG 11 12.545 -3.204 3.544 82 HH11 ARG 11 HH21 ARG 11 15.384 -4.573 4.973 83 HH12 ARG 11 HH22 ARG 11 16.174 -3.048 5.197 84 HH21 ARG 11 HH11 ARG 11 13.576 -1.201 3.834 85 HH22 ARG 11 HH12 ARG 11 15.151 -1.139 4.553 86 H GLU 12 HN GLU 12 11.041 -5.510 -0.587 87 HA GLU 12 HA GLU 12 12.467 -6.993 -2.473 88 HB2 GLU 12 HB2 GLU 12 9.905 -6.586 -2.228 89 HB3 GLU 12 HB1 GLU 12 10.193 -5.201 -3.283 90 HG2 GLU 12 HG2 GLU 12 11.374 -6.796 -4.869 91 HG3 GLU 12 HG1 GLU 12 10.754 -8.114 -3.877 92 H ILE 13 HN ILE 13 11.793 -3.499 -2.384 93 HA ILE 13 HA ILE 13 13.053 -2.880 -4.846 94 HB ILE 13 HB ILE 13 12.572 -1.170 -2.399 95 HG12 ILE 13 HG12 ILE 13 11.031 -1.067 -4.981 96 HG13 ILE 13 HG11 ILE 13 10.637 -2.304 -3.786 97 HG21 ILE 13 HG21 ILE 13 12.745 0.693 -4.131 98 HG22 ILE 13 HG22 ILE 13 13.436 -0.507 -5.224 99 HG23 ILE 13 HG23 ILE 13 14.265 -0.102 -3.721 100 HD11 ILE 13 HD11 ILE 13 9.528 0.159 -3.755 101 HD12 ILE 13 HD12 ILE 13 10.948 0.469 -2.756 102 HD13 ILE 13 HD13 ILE 13 9.797 -0.783 -2.289 103 H ALA 14 HN ALA 14 14.208 -2.902 -1.490 104 HA ALA 14 HA ALA 14 16.738 -1.831 -1.825 105 HB1 ALA 14 HB1 ALA 14 17.386 -3.108 0.142 106 HB2 ALA 14 HB2 ALA 14 15.949 -4.100 -0.041 107 HB3 ALA 14 HB3 ALA 14 15.784 -2.394 0.347 108 H CYS 15 HN CYS 15 16.167 -5.314 -1.569 109 HA CYS 15 HA CYS 15 18.621 -6.106 -2.656 110 HB2 CYS 15 HB2 CYS 15 16.366 -7.375 -1.609 111 HB3 CYS 15 HB1 CYS 15 16.509 -7.994 -3.256 112 H GLY 16 HN GLY 16 15.572 -5.291 -4.187 113 HA2 GLY 16 HA2 GLY 16 15.981 -6.339 -6.738 114 HA3 GLY 16 HA1 GLY 16 15.029 -4.900 -6.384 115 H GLN 17 HN GLN 17 16.175 -2.843 -6.224 116 HA GLN 17 HA GLN 17 17.728 -2.209 -8.393 117 HB2 GLN 17 HB2 GLN 17 17.905 -0.860 -5.692 118 HB3 GLN 17 HB1 GLN 17 18.312 -0.151 -7.256 119 HG2 GLN 17 HG2 GLN 17 15.953 -0.515 -7.991 120 HG3 GLN 17 HG1 GLN 17 15.570 -1.095 -6.371 121 HE21 GLN 17 HE21 GLN 17 16.344 1.786 -8.266 122 HE22 GLN 17 HE22 GLN 17 16.000 2.902 -7.035 123 H CYS 18 HN CYS 18 18.814 -3.279 -5.205 124 HA CYS 18 HA CYS 18 21.526 -2.827 -5.373 125 HB2 CYS 18 HB2 CYS 18 20.463 -3.749 -3.374 126 HB3 CYS 18 HB1 CYS 18 20.139 -5.255 -4.227 127 H ARG 19 HN ARG 19 19.707 -5.606 -6.686 128 HA ARG 19 HA ARG 19 22.130 -6.589 -7.982 129 HB2 ARG 19 HB2 ARG 19 19.451 -7.697 -7.322 130 HB3 ARG 19 HB1 ARG 19 20.291 -8.349 -8.727 131 HG2 ARG 19 HG2 ARG 19 20.800 -9.585 -6.618 132 HG3 ARG 19 HG1 ARG 19 22.225 -8.896 -7.391 133 HD2 ARG 19 HD2 ARG 19 20.829 -7.182 -5.419 134 HD3 ARG 19 HD1 ARG 19 21.691 -8.566 -4.777 135 HE ARG 19 HE ARG 19 22.884 -6.318 -6.256 136 HH11 ARG 19 HH21 ARG 19 23.206 -9.316 -4.537 137 HH12 ARG 19 HH22 ARG 19 24.910 -9.150 -4.294 138 HH21 ARG 19 HH11 ARG 19 25.129 -6.106 -5.925 139 HH22 ARG 19 HH12 ARG 19 25.996 -7.344 -5.082 140 H ASP 20 HN ASP 20 19.539 -4.550 -8.650 141 HA ASP 20 HA ASP 20 19.394 -5.184 -11.493 142 HB2 ASP 20 HB2 ASP 20 17.580 -4.130 -9.678 143 HB3 ASP 20 HB1 ASP 20 18.052 -2.737 -10.650 144 H LYS 21 HN LYS 21 21.493 -3.511 -9.574 145 HA LYS 21 HA LYS 21 22.071 -1.536 -11.703 146 HB2 LYS 21 HB2 LYS 21 22.952 -0.063 -10.061 147 HB3 LYS 21 HB1 LYS 21 21.417 -0.650 -9.418 148 HG2 LYS 21 HG2 LYS 21 22.726 -2.429 -8.190 149 HG3 LYS 21 HG1 LYS 21 24.198 -1.590 -8.675 150 HD2 LYS 21 HD2 LYS 21 22.030 -0.022 -7.322 151 HD3 LYS 21 HD1 LYS 21 23.073 -1.062 -6.352 152 HE2 LYS 21 HE2 LYS 21 24.347 0.749 -8.365 153 HE3 LYS 21 HE1 LYS 21 23.769 1.442 -6.850 154 HZ1 LYS 21 HZ1 LYS 21 25.049 -0.326 -5.692 155 HZ2 LYS 21 HZ2 LYS 21 26.013 0.785 -6.544 156 HZ3 LYS 21 HZ3 LYS 21 25.725 -0.761 -7.186 157 H VAL 22 HN VAL 22 23.045 -4.426 -10.392 158 HA VAL 22 HA VAL 22 25.740 -4.081 -11.496 159 HB VAL 22 HB VAL 22 26.274 -5.748 -9.477 160 HG11 VAL 22 HG11 VAL 22 26.356 -2.752 -9.673 161 HG12 VAL 22 HG12 VAL 22 27.690 -3.900 -9.766 162 HG13 VAL 22 HG13 VAL 22 26.940 -3.545 -8.210 163 HG21 VAL 22 HG21 VAL 22 25.077 -5.381 -7.543 164 HG22 VAL 22 HG22 VAL 22 23.803 -5.221 -8.745 165 HG23 VAL 22 HG23 VAL 22 24.551 -3.784 -8.061 166 H LYS 23 HN LYS 23 23.343 -6.373 -10.179 167 HA LYS 23 HA LYS 23 24.373 -8.433 -12.022 168 HB2 LYS 23 HB2 LYS 23 22.350 -8.807 -9.812 169 HB3 LYS 23 HB1 LYS 23 23.299 -10.045 -10.640 170 HG2 LYS 23 HG2 LYS 23 24.427 -7.854 -8.870 171 HG3 LYS 23 HG1 LYS 23 24.251 -9.550 -8.419 172 HD2 LYS 23 HD2 LYS 23 25.658 -10.035 -10.551 173 HD3 LYS 23 HD1 LYS 23 26.104 -8.331 -10.459 174 HE2 LYS 23 HE2 LYS 23 26.753 -8.757 -8.034 175 HE3 LYS 23 HE1 LYS 23 26.579 -10.478 -8.382 176 HZ1 LYS 23 HZ1 LYS 23 28.258 -8.731 -10.071 177 HZ2 LYS 23 HZ2 LYS 23 28.305 -10.422 -9.916 178 HZ3 LYS 23 HZ3 LYS 23 28.872 -9.434 -8.656 179 H THR 24 HN THR 24 21.622 -9.725 -11.525 180 HA THR 24 HA THR 24 20.033 -8.114 -13.416 181 HB THR 24 HB THR 24 21.193 -9.836 -14.726 182 HG1 THR 24 HG1 THR 24 18.741 -9.314 -14.786 183 HG21 THR 24 HG21 THR 24 19.824 -12.155 -13.693 184 HG22 THR 24 HG22 THR 24 20.761 -11.393 -12.407 185 HG23 THR 24 HG23 THR 24 21.556 -11.894 -13.899 186 H ASP 25 HN ASP 25 17.921 -9.874 -13.711 187 HA ASP 25 HA ASP 25 16.497 -9.456 -11.272 188 HB2 ASP 25 HB2 ASP 25 15.720 -11.168 -13.644 189 HB3 ASP 25 HB1 ASP 25 14.639 -10.542 -12.402 190 H GLY 26 HN GLY 26 17.923 -12.290 -12.847 191 HA2 GLY 26 HA2 GLY 26 16.924 -14.301 -11.189 192 HA3 GLY 26 HA1 GLY 26 18.473 -14.368 -12.025 193 H TYR 27 HN TYR 27 19.796 -12.248 -10.789 194 HA TYR 27 HA TYR 27 20.715 -13.489 -8.402 195 HB2 TYR 27 HB2 TYR 27 21.300 -10.976 -9.878 196 HB3 TYR 27 HB1 TYR 27 21.776 -11.050 -8.182 197 HD1 TYR 27 HD1 TYR 27 21.868 -13.190 -11.268 198 HD2 TYR 27 HD2 TYR 27 23.869 -11.954 -7.672 199 HE1 TYR 27 HE1 TYR 27 23.829 -14.581 -11.878 200 HE2 TYR 27 HE2 TYR 27 25.827 -13.345 -8.283 201 HH TYR 27 HH TYR 27 25.989 -15.650 -9.970 202 H PHE 28 HN PHE 28 18.727 -10.600 -9.015 203 HA PHE 28 HA PHE 28 18.433 -9.628 -6.453 204 HB2 PHE 28 HB2 PHE 28 17.226 -8.235 -7.749 205 HB3 PHE 28 HB1 PHE 28 16.918 -9.491 -8.948 206 HD1 PHE 28 HD1 PHE 28 15.938 -8.524 -5.460 207 HD2 PHE 28 HD2 PHE 28 14.744 -10.322 -9.173 208 HE1 PHE 28 HE1 PHE 28 13.627 -8.772 -4.595 209 HE2 PHE 28 HE2 PHE 28 12.434 -10.570 -8.309 210 HZ PHE 28 HZ PHE 28 11.875 -9.796 -6.021 211 H TYR 29 HN TYR 29 16.798 -12.371 -7.967 212 HA TYR 29 HA TYR 29 14.974 -12.827 -5.809 213 HB2 TYR 29 HB2 TYR 29 14.451 -13.683 -8.010 214 HB3 TYR 29 HB1 TYR 29 15.941 -14.626 -8.042 215 HD1 TYR 29 HD2 TYR 29 16.208 -16.622 -6.633 216 HD2 TYR 29 HD1 TYR 29 12.550 -14.371 -6.654 217 HE1 TYR 29 HE2 TYR 29 15.048 -18.497 -5.497 218 HE2 TYR 29 HE1 TYR 29 11.389 -16.245 -5.518 219 HH TYR 29 HH TYR 29 12.172 -18.214 -3.959 220 H GLU 30 HN GLU 30 18.110 -14.205 -6.745 221 HA GLU 30 HA GLU 30 18.289 -16.201 -4.790 222 HB2 GLU 30 HB2 GLU 30 20.062 -14.912 -6.656 223 HB3 GLU 30 HB1 GLU 30 20.880 -15.143 -5.112 224 HG2 GLU 30 HG2 GLU 30 20.326 -17.511 -5.114 225 HG3 GLU 30 HG1 GLU 30 19.358 -17.317 -6.575 226 H CYS 31 HN CYS 31 19.177 -12.746 -4.613 227 HA CYS 31 HA CYS 31 20.282 -12.884 -2.015 228 HB2 CYS 31 HB2 CYS 31 20.439 -10.564 -2.163 229 HB3 CYS 31 HB1 CYS 31 20.531 -11.065 -3.843 230 H CYS 32 HN CYS 32 17.057 -12.083 -3.259 231 HA CYS 32 HA CYS 32 15.843 -11.219 -0.905 232 HB2 CYS 32 HB2 CYS 32 15.001 -11.701 -3.471 233 HB3 CYS 32 HB1 CYS 32 14.162 -12.962 -2.568 234 H THR 33 HN THR 33 16.537 -14.479 -2.035 235 HA THR 33 HA THR 33 15.075 -15.747 0.110 236 HB THR 33 HB THR 33 15.990 -17.824 -0.778 237 HG1 THR 33 HG1 THR 33 17.473 -16.202 -2.560 238 HG21 THR 33 HG21 THR 33 14.976 -15.783 -2.749 239 HG22 THR 33 HG22 THR 33 14.122 -17.150 -2.034 240 HG23 THR 33 HG23 THR 33 15.353 -17.426 -3.265 241 H SER 34 HN SER 34 18.516 -15.332 -0.713 242 HA SER 34 HA SER 34 19.456 -16.504 1.723 243 HB2 SER 34 HB2 SER 34 20.597 -15.672 -0.706 244 HB3 SER 34 HB1 SER 34 21.348 -14.672 0.533 245 HG SER 34 HG SER 34 21.062 -17.494 0.686 246 H ASP 35 HN ASP 35 20.399 -15.472 3.513 247 HA ASP 35 HA ASP 35 19.214 -12.872 4.124 248 HB2 ASP 35 HB2 ASP 35 19.195 -14.868 5.714 249 HB3 ASP 35 HB1 ASP 35 20.916 -14.567 5.949 250 H SER 36 HN SER 36 22.446 -14.321 4.604 251 HA SER 36 HA SER 36 23.907 -12.081 5.151 252 HB2 SER 36 HB2 SER 36 24.544 -14.620 3.719 253 HB3 SER 36 HB1 SER 36 25.733 -13.320 3.675 254 HG SER 36 HG SER 36 26.168 -13.710 5.690 255 H THR 37 HN THR 37 23.244 -13.342 1.875 256 HA THR 37 HA THR 37 24.534 -11.343 0.421 257 HB THR 37 HB THR 37 21.954 -12.629 -0.450 258 HG1 THR 37 HG1 THR 37 24.474 -13.794 -0.827 259 HG21 THR 37 HG21 THR 37 23.391 -10.835 -1.763 260 HG22 THR 37 HG22 THR 37 22.701 -12.221 -2.608 261 HG23 THR 37 HG23 THR 37 24.398 -12.235 -2.130 262 H PHE 38 HN PHE 38 21.112 -11.511 1.427 263 HA PHE 38 HA PHE 38 20.342 -9.015 0.373 264 HB2 PHE 38 HB2 PHE 38 18.548 -10.380 0.956 265 HB3 PHE 38 HB1 PHE 38 19.254 -10.814 2.513 266 HD1 PHE 38 HD1 PHE 38 17.840 -7.923 0.609 267 HD2 PHE 38 HD2 PHE 38 18.682 -9.621 4.462 268 HE1 PHE 38 HE1 PHE 38 16.585 -6.080 1.694 269 HE2 PHE 38 HE2 PHE 38 17.427 -7.780 5.548 270 HZ PHE 38 HZ PHE 38 16.382 -6.009 4.165 271 H LYS 39 HN LYS 39 21.797 -9.936 3.445 272 HA LYS 39 HA LYS 39 21.428 -7.496 4.810 273 HB2 LYS 39 HB2 LYS 39 22.148 -9.617 5.894 274 HB3 LYS 39 HB1 LYS 39 23.715 -9.460 5.102 275 HG2 LYS 39 HG2 LYS 39 22.985 -6.994 6.454 276 HG3 LYS 39 HG1 LYS 39 22.983 -8.357 7.572 277 HD2 LYS 39 HD2 LYS 39 25.256 -7.771 5.660 278 HD3 LYS 39 HD1 LYS 39 25.221 -7.210 7.332 279 HE2 LYS 39 HE2 LYS 39 24.579 -10.031 7.205 280 HE3 LYS 39 HE1 LYS 39 26.121 -9.714 6.410 281 HZ1 LYS 39 HZ1 LYS 39 26.239 -8.177 8.635 282 HZ2 LYS 39 HZ2 LYS 39 26.957 -9.706 8.457 283 HZ3 LYS 39 HZ3 LYS 39 25.433 -9.560 9.192 284 H LYS 40 HN LYS 40 23.636 -8.458 2.312 285 HA LYS 40 HA LYS 40 25.430 -6.210 2.760 286 HB2 LYS 40 HB2 LYS 40 26.077 -8.554 1.858 287 HB3 LYS 40 HB1 LYS 40 25.429 -7.976 0.322 288 HG2 LYS 40 HG2 LYS 40 27.530 -7.160 0.008 289 HG3 LYS 40 HG1 LYS 40 26.988 -5.854 1.062 290 HD2 LYS 40 HD2 LYS 40 27.837 -7.110 3.027 291 HD3 LYS 40 HD1 LYS 40 28.425 -8.375 1.946 292 HE2 LYS 40 HE2 LYS 40 30.351 -7.186 1.877 293 HE3 LYS 40 HE1 LYS 40 29.475 -6.082 0.816 294 HZ1 LYS 40 HZ1 LYS 40 30.430 -4.845 2.606 295 HZ2 LYS 40 HZ2 LYS 40 29.742 -5.878 3.766 296 HZ3 LYS 40 HZ3 LYS 40 28.749 -4.873 2.823 297 H CYS 41 HN CYS 41 22.615 -6.967 0.908 298 HA CYS 41 HA CYS 41 23.013 -4.836 -1.024 299 HB2 CYS 41 HB2 CYS 41 20.988 -6.961 -0.545 300 HB3 CYS 41 HB1 CYS 41 20.456 -5.507 -1.387 301 H GLN 42 HN GLN 42 20.870 -5.482 1.743 302 HA GLN 42 HA GLN 42 19.364 -3.132 1.642 303 HB2 GLN 42 HB2 GLN 42 18.743 -3.595 3.896 304 HB3 GLN 42 HB1 GLN 42 18.982 -5.161 3.122 305 HG2 GLN 42 HG2 GLN 42 20.217 -5.479 5.056 306 HG3 GLN 42 HG1 GLN 42 21.467 -4.845 3.988 307 HE21 GLN 42 HE21 GLN 42 22.692 -3.830 5.703 308 HE22 GLN 42 HE22 GLN 42 22.102 -2.486 6.553 309 H ASP 43 HN ASP 43 22.644 -3.685 2.635 310 HA ASP 43 HA ASP 43 22.918 -1.261 4.167 311 HB2 ASP 43 HB2 ASP 43 24.401 -3.128 4.615 312 HB3 ASP 43 HB1 ASP 43 24.970 -3.120 2.947 313 H LEU 44 HN LEU 44 23.110 -2.139 0.818 314 HA LEU 44 HA LEU 44 24.649 0.147 -0.007 315 HB2 LEU 44 HB2 LEU 44 23.144 -2.037 -1.402 316 HB3 LEU 44 HB1 LEU 44 23.609 -0.604 -2.315 317 HG LEU 44 HG LEU 44 25.566 -2.160 -0.613 318 HD11 LEU 44 HD11 LEU 44 24.720 -2.565 -3.480 319 HD12 LEU 44 HD12 LEU 44 24.889 -3.772 -2.204 320 HD13 LEU 44 HD13 LEU 44 26.324 -3.039 -2.922 321 HD21 LEU 44 HD21 LEU 44 26.987 -0.520 -1.218 322 HD22 LEU 44 HD22 LEU 44 25.684 0.300 -2.078 323 HD23 LEU 44 HD23 LEU 44 26.689 -0.881 -2.916 324 H LEU 45 HN LEU 45 21.221 -0.777 -0.304 325 HA LEU 45 HA LEU 45 20.496 1.838 -1.266 326 HB2 LEU 45 HB2 LEU 45 18.937 -0.630 -0.507 327 HB3 LEU 45 HB1 LEU 45 18.122 0.875 -0.924 328 HG LEU 45 HG LEU 45 18.336 -0.618 -2.889 329 HD11 LEU 45 HD11 LEU 45 18.758 1.094 -4.324 330 HD12 LEU 45 HD12 LEU 45 20.296 1.495 -3.557 331 HD13 LEU 45 HD13 LEU 45 18.784 2.045 -2.839 332 HD21 LEU 45 HD21 LEU 45 20.450 -1.308 -3.737 333 HD22 LEU 45 HD22 LEU 45 20.482 -1.650 -2.006 334 HD23 LEU 45 HD23 LEU 45 21.318 -0.229 -2.646 335 H HIS 46 HN HIS 46 20.308 0.092 1.772 336 HA HIS 46 HA HIS 46 19.870 2.648 3.132 337 HB2 HIS 46 HB2 HIS 46 17.958 0.353 3.113 338 HB3 HIS 46 HB1 HIS 46 18.163 1.269 4.606 339 HD1 HIS 46 HD1 HIS 46 16.102 1.261 1.736 340 HD2 HIS 46 HD2 HIS 46 18.051 4.289 3.837 341 HE1 HIS 46 HE1 HIS 46 14.937 3.424 1.120 Start of MODEL 8 1 HA ALA 1 HA ALA 1 8.844 -18.533 10.354 2 HB1 ALA 1 HB1 ALA 1 8.511 -20.450 8.722 3 HB2 ALA 1 HB2 ALA 1 7.049 -19.629 8.177 4 HB3 ALA 1 HB3 ALA 1 7.177 -20.186 9.846 5 H ASP 2 HN ASP 2 7.824 -17.748 7.022 6 HA ASP 2 HA ASP 2 10.658 -17.177 6.378 7 HB2 ASP 2 HB2 ASP 2 8.530 -18.626 4.892 8 HB3 ASP 2 HB1 ASP 2 9.609 -17.599 3.949 9 H ASN 3 HN ASN 3 10.652 -14.992 6.769 10 HA ASN 3 HA ASN 3 8.740 -13.366 5.200 11 HB2 ASN 3 HB2 ASN 3 10.300 -12.512 7.644 12 HB3 ASN 3 HB1 ASN 3 9.025 -11.611 6.826 13 HD21 ASN 3 HD21 ASN 3 9.629 -14.546 8.778 14 HD22 ASN 3 HD22 ASN 3 8.022 -14.723 9.294 15 H LYS 4 HN LYS 4 10.404 -13.958 3.462 16 HA LYS 4 HA LYS 4 12.707 -12.108 3.562 17 HB2 LYS 4 HB2 LYS 4 12.240 -14.544 1.824 18 HB3 LYS 4 HB1 LYS 4 13.664 -13.506 1.758 19 HG2 LYS 4 HG2 LYS 4 12.737 -15.004 4.227 20 HG3 LYS 4 HG1 LYS 4 14.018 -15.556 3.149 21 HD2 LYS 4 HD2 LYS 4 14.965 -13.099 3.621 22 HD3 LYS 4 HD1 LYS 4 14.022 -13.291 5.098 23 HE2 LYS 4 HE2 LYS 4 15.179 -15.581 5.324 24 HE3 LYS 4 HE1 LYS 4 16.310 -14.986 4.107 25 HZ1 LYS 4 HZ1 LYS 4 16.481 -12.951 5.626 26 HZ2 LYS 4 HZ2 LYS 4 17.284 -14.372 6.098 27 HZ3 LYS 4 HZ3 LYS 4 15.806 -13.947 6.820 28 H CYS 5 HN CYS 5 11.726 -13.424 0.547 29 HA CYS 5 HA CYS 5 11.345 -10.820 -0.576 30 HB2 CYS 5 HB2 CYS 5 11.863 -13.427 -1.543 31 HB3 CYS 5 HB1 CYS 5 10.348 -12.904 -2.283 32 H GLU 6 HN GLU 6 9.442 -12.009 1.543 33 HA GLU 6 HA GLU 6 6.977 -11.184 0.156 34 HB2 GLU 6 HB2 GLU 6 5.788 -12.978 1.530 35 HB3 GLU 6 HB1 GLU 6 6.755 -13.550 0.170 36 HG2 GLU 6 HG2 GLU 6 8.469 -14.344 1.553 37 HG3 GLU 6 HG1 GLU 6 7.997 -13.306 2.897 38 H ASN 7 HN ASN 7 9.017 -10.167 2.271 39 HA ASN 7 HA ASN 7 7.354 -9.847 4.627 40 HB2 ASN 7 HB2 ASN 7 9.791 -10.072 4.852 41 HB3 ASN 7 HB1 ASN 7 10.018 -8.607 3.899 42 HD21 ASN 7 HD21 ASN 7 7.724 -9.374 6.581 43 HD22 ASN 7 HD22 ASN 7 8.190 -8.055 7.542 44 H SER 8 HN SER 8 9.168 -7.256 3.050 45 HA SER 8 HA SER 8 6.684 -5.782 2.536 46 HB2 SER 8 HB2 SER 8 8.467 -5.252 4.732 47 HB3 SER 8 HB1 SER 8 8.490 -3.897 3.607 48 HG SER 8 HG SER 8 6.615 -4.559 5.364 49 H LEU 9 HN LEU 9 7.001 -3.923 1.148 50 HA LEU 9 HA LEU 9 8.541 -4.417 -1.103 51 HB2 LEU 9 HB2 LEU 9 7.554 -1.756 -0.049 52 HB3 LEU 9 HB1 LEU 9 8.142 -2.040 -1.687 53 HG LEU 9 HG LEU 9 6.005 -3.849 -0.654 54 HD11 LEU 9 HD11 LEU 9 4.376 -2.059 -1.650 55 HD12 LEU 9 HD12 LEU 9 5.677 -0.925 -1.284 56 HD13 LEU 9 HD13 LEU 9 4.939 -1.869 0.011 57 HD21 LEU 9 HD21 LEU 9 7.036 -4.136 -2.893 58 HD22 LEU 9 HD22 LEU 9 6.526 -2.505 -3.326 59 HD23 LEU 9 HD23 LEU 9 5.319 -3.752 -3.016 60 H ARG 10 HN ARG 10 9.452 -2.993 1.928 61 HA ARG 10 HA ARG 10 11.668 -1.475 1.211 62 HB2 ARG 10 HB2 ARG 10 12.396 -1.701 3.473 63 HB3 ARG 10 HB1 ARG 10 10.632 -1.676 3.503 64 HG2 ARG 10 HG2 ARG 10 10.784 -4.235 3.357 65 HG3 ARG 10 HG1 ARG 10 12.476 -4.030 3.794 66 HD2 ARG 10 HD2 ARG 10 11.138 -4.409 5.819 67 HD3 ARG 10 HD1 ARG 10 11.790 -2.772 5.822 68 HE ARG 10 HE ARG 10 9.375 -2.389 4.696 69 HH11 ARG 10 HH21 ARG 10 10.413 -4.179 7.471 70 HH12 ARG 10 HH22 ARG 10 8.932 -3.956 8.340 71 HH21 ARG 10 HH11 ARG 10 7.430 -2.094 5.830 72 HH22 ARG 10 HH12 ARG 10 7.243 -2.776 7.411 73 H ARG 11 HN ARG 11 11.426 -4.947 1.831 74 HA ARG 11 HA ARG 11 14.228 -5.424 1.407 75 HB2 ARG 11 HB2 ARG 11 11.946 -7.412 1.348 76 HB3 ARG 11 HB1 ARG 11 13.657 -7.769 1.585 77 HG2 ARG 11 HG2 ARG 11 13.480 -6.135 3.605 78 HG3 ARG 11 HG1 ARG 11 11.742 -6.400 3.460 79 HD2 ARG 11 HD2 ARG 11 12.448 -8.054 4.992 80 HD3 ARG 11 HD1 ARG 11 12.312 -8.914 3.460 81 HE ARG 11 HE ARG 11 14.913 -8.125 3.482 82 HH11 ARG 11 HH21 ARG 11 12.850 -9.718 5.757 83 HH12 ARG 11 HH22 ARG 11 14.127 -10.637 6.481 84 HH21 ARG 11 HH11 ARG 11 16.594 -9.325 4.427 85 HH22 ARG 11 HH12 ARG 11 16.247 -10.414 5.729 86 H GLU 12 HN GLU 12 11.263 -5.818 -0.503 87 HA GLU 12 HA GLU 12 12.407 -7.071 -2.744 88 HB2 GLU 12 HB2 GLU 12 9.925 -6.673 -2.229 89 HB3 GLU 12 HB1 GLU 12 10.159 -5.059 -2.901 90 HG2 GLU 12 HG2 GLU 12 9.698 -6.028 -4.896 91 HG3 GLU 12 HG1 GLU 12 11.346 -6.648 -4.808 92 H ILE 13 HN ILE 13 12.103 -3.629 -1.927 93 HA ILE 13 HA ILE 13 13.171 -2.702 -4.417 94 HB ILE 13 HB ILE 13 12.915 -1.328 -1.731 95 HG12 ILE 13 HG12 ILE 13 11.193 -0.861 -4.156 96 HG13 ILE 13 HG11 ILE 13 10.835 -2.207 -3.077 97 HG21 ILE 13 HG21 ILE 13 13.081 0.751 -3.131 98 HG22 ILE 13 HG22 ILE 13 13.506 -0.264 -4.510 99 HG23 ILE 13 HG23 ILE 13 14.572 -0.191 -3.108 100 HD11 ILE 13 HD11 ILE 13 9.800 0.223 -2.669 101 HD12 ILE 13 HD12 ILE 13 11.335 0.461 -1.834 102 HD13 ILE 13 HD13 ILE 13 10.244 -0.827 -1.323 103 H ALA 14 HN ALA 14 14.493 -2.977 -1.115 104 HA ALA 14 HA ALA 14 17.044 -2.064 -1.543 105 HB1 ALA 14 HB1 ALA 14 17.737 -3.556 0.281 106 HB2 ALA 14 HB2 ALA 14 16.176 -4.358 0.170 107 HB3 ALA 14 HB3 ALA 14 16.255 -2.668 0.649 108 H CYS 15 HN CYS 15 16.565 -5.518 -1.222 109 HA CYS 15 HA CYS 15 18.838 -6.337 -2.576 110 HB2 CYS 15 HB2 CYS 15 16.322 -7.577 -1.718 111 HB3 CYS 15 HB1 CYS 15 17.050 -8.352 -3.122 112 H GLY 16 HN GLY 16 15.700 -5.409 -3.837 113 HA2 GLY 16 HA2 GLY 16 15.898 -6.414 -6.440 114 HA3 GLY 16 HA1 GLY 16 14.973 -4.989 -5.970 115 H GLN 17 HN GLN 17 16.016 -2.934 -5.956 116 HA GLN 17 HA GLN 17 17.312 -2.096 -8.135 117 HB2 GLN 17 HB2 GLN 17 17.715 -1.157 -5.300 118 HB3 GLN 17 HB1 GLN 17 18.449 -0.339 -6.680 119 HG2 GLN 17 HG2 GLN 17 15.577 -0.949 -6.993 120 HG3 GLN 17 HG1 GLN 17 15.950 0.220 -5.728 121 HE21 GLN 17 HE21 GLN 17 17.473 2.072 -6.461 122 HE22 GLN 17 HE22 GLN 17 17.281 2.643 -8.048 123 H CYS 18 HN CYS 18 19.037 -3.181 -5.213 124 HA CYS 18 HA CYS 18 21.639 -2.951 -5.910 125 HB2 CYS 18 HB2 CYS 18 20.179 -5.154 -4.485 126 HB3 CYS 18 HB1 CYS 18 21.906 -5.301 -4.801 127 H ARG 19 HN ARG 19 20.042 -6.091 -6.490 128 HA ARG 19 HA ARG 19 21.942 -6.859 -8.461 129 HB2 ARG 19 HB2 ARG 19 19.358 -7.974 -7.449 130 HB3 ARG 19 HB1 ARG 19 20.064 -8.624 -8.932 131 HG2 ARG 19 HG2 ARG 19 20.831 -9.887 -6.942 132 HG3 ARG 19 HG1 ARG 19 22.172 -9.082 -7.749 133 HD2 ARG 19 HD2 ARG 19 20.802 -7.529 -5.631 134 HD3 ARG 19 HD1 ARG 19 21.731 -8.923 -5.098 135 HE ARG 19 HE ARG 19 23.084 -7.091 -6.931 136 HH11 ARG 19 HH21 ARG 19 22.491 -8.170 -3.691 137 HH12 ARG 19 HH22 ARG 19 23.944 -7.478 -3.051 138 HH21 ARG 19 HH11 ARG 19 24.984 -6.175 -6.089 139 HH22 ARG 19 HH12 ARG 19 25.351 -6.348 -4.405 140 H ASP 20 HN ASP 20 19.677 -4.536 -8.658 141 HA ASP 20 HA ASP 20 18.927 -5.131 -11.446 142 HB2 ASP 20 HB2 ASP 20 17.449 -4.092 -9.343 143 HB3 ASP 20 HB1 ASP 20 17.845 -2.676 -10.311 144 H LYS 21 HN LYS 21 21.297 -3.516 -9.729 145 HA LYS 21 HA LYS 21 21.671 -1.535 -11.894 146 HB2 LYS 21 HB2 LYS 21 22.959 -0.214 -10.230 147 HB3 LYS 21 HB1 LYS 21 21.278 -0.442 -9.752 148 HG2 LYS 21 HG2 LYS 21 21.815 -1.868 -8.020 149 HG3 LYS 21 HG1 LYS 21 23.273 -2.457 -8.810 150 HD2 LYS 21 HD2 LYS 21 23.741 -1.012 -6.834 151 HD3 LYS 21 HD1 LYS 21 24.434 -0.389 -8.333 152 HE2 LYS 21 HE2 LYS 21 22.964 1.379 -8.442 153 HE3 LYS 21 HE1 LYS 21 21.675 0.494 -7.623 154 HZ1 LYS 21 HZ1 LYS 21 23.320 2.349 -6.490 155 HZ2 LYS 21 HZ2 LYS 21 23.968 0.870 -5.960 156 HZ3 LYS 21 HZ3 LYS 21 22.339 1.246 -5.657 157 H VAL 22 HN VAL 22 22.978 -4.213 -10.148 158 HA VAL 22 HA VAL 22 25.535 -3.921 -11.587 159 HB VAL 22 HB VAL 22 26.286 -5.548 -9.752 160 HG11 VAL 22 HG11 VAL 22 27.076 -3.234 -9.927 161 HG12 VAL 22 HG12 VAL 22 26.788 -3.644 -8.235 162 HG13 VAL 22 HG13 VAL 22 25.616 -2.665 -9.117 163 HG21 VAL 22 HG21 VAL 22 24.359 -4.299 -7.947 164 HG22 VAL 22 HG22 VAL 22 24.983 -5.940 -7.956 165 HG23 VAL 22 HG23 VAL 22 23.674 -5.486 -9.035 166 H LYS 23 HN LYS 23 23.126 -6.272 -10.392 167 HA LYS 23 HA LYS 23 24.105 -8.168 -12.402 168 HB2 LYS 23 HB2 LYS 23 22.368 -8.790 -10.027 169 HB3 LYS 23 HB1 LYS 23 23.228 -9.933 -11.059 170 HG2 LYS 23 HG2 LYS 23 24.507 -7.865 -9.244 171 HG3 LYS 23 HG1 LYS 23 24.469 -9.606 -8.967 172 HD2 LYS 23 HD2 LYS 23 25.569 -9.711 -11.362 173 HD3 LYS 23 HD1 LYS 23 26.033 -8.048 -10.999 174 HE2 LYS 23 HE2 LYS 23 26.842 -9.046 -8.717 175 HE3 LYS 23 HE1 LYS 23 26.832 -10.579 -9.588 176 HZ1 LYS 23 HZ1 LYS 23 28.047 -8.495 -11.110 177 HZ2 LYS 23 HZ2 LYS 23 28.662 -10.021 -10.684 178 HZ3 LYS 23 HZ3 LYS 23 28.826 -8.708 -9.619 179 H THR 24 HN THR 24 21.482 -9.635 -11.730 180 HA THR 24 HA THR 24 19.574 -7.954 -13.196 181 HB THR 24 HB THR 24 20.613 -9.212 -14.970 182 HG1 THR 24 HG1 THR 24 18.531 -9.252 -15.424 183 HG21 THR 24 HG21 THR 24 20.749 -11.668 -14.896 184 HG22 THR 24 HG22 THR 24 20.062 -11.660 -13.273 185 HG23 THR 24 HG23 THR 24 21.649 -10.948 -13.562 186 H ASP 25 HN ASP 25 17.591 -9.820 -13.576 187 HA ASP 25 HA ASP 25 16.412 -9.972 -11.011 188 HB2 ASP 25 HB2 ASP 25 14.881 -11.669 -12.399 189 HB3 ASP 25 HB1 ASP 25 14.777 -9.922 -12.607 190 H GLY 26 HN GLY 26 18.075 -12.342 -13.038 191 HA2 GLY 26 HA2 GLY 26 17.515 -14.697 -11.700 192 HA3 GLY 26 HA1 GLY 26 19.041 -14.367 -12.513 193 H TYR 27 HN TYR 27 20.044 -12.305 -10.968 194 HA TYR 27 HA TYR 27 21.056 -13.754 -8.711 195 HB2 TYR 27 HB2 TYR 27 21.508 -11.042 -9.889 196 HB3 TYR 27 HB1 TYR 27 22.059 -11.366 -8.246 197 HD1 TYR 27 HD1 TYR 27 22.318 -12.493 -11.776 198 HD2 TYR 27 HD2 TYR 27 23.946 -12.755 -7.810 199 HE1 TYR 27 HE1 TYR 27 24.294 -13.696 -12.667 200 HE2 TYR 27 HE2 TYR 27 25.922 -13.960 -8.701 201 HH TYR 27 HH TYR 27 26.233 -14.650 -12.188 202 H PHE 28 HN PHE 28 18.951 -10.908 -9.097 203 HA PHE 28 HA PHE 28 18.543 -10.031 -6.575 204 HB2 PHE 28 HB2 PHE 28 17.249 -8.990 -8.233 205 HB3 PHE 28 HB1 PHE 28 16.571 -10.519 -8.786 206 HD1 PHE 28 HD1 PHE 28 16.781 -8.465 -5.657 207 HD2 PHE 28 HD2 PHE 28 14.409 -11.071 -8.115 208 HE1 PHE 28 HE1 PHE 28 14.863 -8.181 -4.111 209 HE2 PHE 28 HE2 PHE 28 12.493 -10.785 -6.570 210 HZ PHE 28 HZ PHE 28 12.720 -9.341 -4.568 211 H TYR 29 HN TYR 29 17.009 -12.922 -7.975 212 HA TYR 29 HA TYR 29 15.404 -13.688 -5.855 213 HB2 TYR 29 HB2 TYR 29 16.213 -14.837 -8.243 214 HB3 TYR 29 HB1 TYR 29 16.826 -15.955 -7.024 215 HD1 TYR 29 HD2 TYR 29 15.222 -16.788 -5.218 216 HD2 TYR 29 HD1 TYR 29 13.906 -14.755 -8.767 217 HE1 TYR 29 HE2 TYR 29 12.930 -17.674 -4.877 218 HE2 TYR 29 HE1 TYR 29 11.616 -15.641 -8.425 219 HH TYR 29 HH TYR 29 10.235 -16.618 -6.881 220 H GLU 30 HN GLU 30 18.841 -14.472 -6.358 221 HA GLU 30 HA GLU 30 19.171 -15.984 -3.999 222 HB2 GLU 30 HB2 GLU 30 21.083 -14.483 -5.779 223 HB3 GLU 30 HB1 GLU 30 21.632 -15.322 -4.332 224 HG2 GLU 30 HG2 GLU 30 19.850 -16.831 -6.181 225 HG3 GLU 30 HG1 GLU 30 21.505 -16.543 -6.714 226 H CYS 31 HN CYS 31 19.222 -12.546 -4.643 227 HA CYS 31 HA CYS 31 20.506 -11.700 -2.265 228 HB2 CYS 31 HB2 CYS 31 19.981 -10.338 -4.380 229 HB3 CYS 31 HB1 CYS 31 18.369 -10.141 -3.700 230 H CYS 32 HN CYS 32 17.136 -12.391 -3.058 231 HA CYS 32 HA CYS 32 16.054 -11.450 -0.585 232 HB2 CYS 32 HB2 CYS 32 15.073 -12.780 -2.994 233 HB3 CYS 32 HB1 CYS 32 14.283 -13.362 -1.527 234 H THR 33 HN THR 33 17.233 -14.562 -1.747 235 HA THR 33 HA THR 33 16.399 -15.990 0.623 236 HB THR 33 HB THR 33 17.586 -17.879 -0.352 237 HG1 THR 33 HG1 THR 33 18.924 -15.864 -1.577 238 HG21 THR 33 HG21 THR 33 15.994 -16.193 -2.293 239 HG22 THR 33 HG22 THR 33 15.424 -17.538 -1.305 240 HG23 THR 33 HG23 THR 33 16.509 -17.838 -2.663 241 H SER 34 HN SER 34 19.578 -15.120 -0.754 242 HA SER 34 HA SER 34 21.097 -15.901 1.487 243 HB2 SER 34 HB2 SER 34 21.900 -15.339 -0.892 244 HB3 SER 34 HB1 SER 34 21.875 -13.657 -0.369 245 HG SER 34 HG SER 34 23.116 -15.583 1.248 246 H ASP 35 HN ASP 35 21.819 -14.809 3.273 247 HA ASP 35 HA ASP 35 20.295 -12.426 4.013 248 HB2 ASP 35 HB2 ASP 35 22.285 -13.835 5.773 249 HB3 ASP 35 HB1 ASP 35 20.860 -12.905 6.237 250 H SER 36 HN SER 36 23.685 -13.476 3.787 251 HA SER 36 HA SER 36 24.956 -11.155 4.603 252 HB2 SER 36 HB2 SER 36 25.661 -13.409 2.804 253 HB3 SER 36 HB1 SER 36 26.648 -11.956 2.676 254 HG SER 36 HG SER 36 26.185 -13.626 4.906 255 H THR 37 HN THR 37 23.561 -11.946 1.457 256 HA THR 37 HA THR 37 24.543 -9.655 0.086 257 HB THR 37 HB THR 37 22.014 -11.174 -0.562 258 HG1 THR 37 HG1 THR 37 24.717 -11.856 -0.769 259 HG21 THR 37 HG21 THR 37 22.648 -9.030 -1.793 260 HG22 THR 37 HG22 THR 37 22.431 -10.460 -2.803 261 HG23 THR 37 HG23 THR 37 24.055 -9.907 -2.397 262 H PHE 38 HN PHE 38 21.412 -10.374 1.628 263 HA PHE 38 HA PHE 38 20.184 -7.902 1.061 264 HB2 PHE 38 HB2 PHE 38 18.568 -9.292 1.834 265 HB3 PHE 38 HB1 PHE 38 19.690 -10.183 2.863 266 HD1 PHE 38 HD1 PHE 38 17.631 -7.108 2.601 267 HD2 PHE 38 HD2 PHE 38 20.033 -9.582 5.163 268 HE1 PHE 38 HE1 PHE 38 16.832 -5.838 4.575 269 HE2 PHE 38 HE2 PHE 38 19.235 -8.311 7.138 270 HZ PHE 38 HZ PHE 38 17.634 -6.439 6.844 271 H LYS 39 HN LYS 39 22.573 -8.816 3.394 272 HA LYS 39 HA LYS 39 22.134 -6.533 5.121 273 HB2 LYS 39 HB2 LYS 39 22.996 -8.404 6.257 274 HB3 LYS 39 HB1 LYS 39 24.190 -8.729 5.001 275 HG2 LYS 39 HG2 LYS 39 25.593 -7.000 5.693 276 HG3 LYS 39 HG1 LYS 39 24.280 -6.112 6.469 277 HD2 LYS 39 HD2 LYS 39 24.935 -8.819 7.543 278 HD3 LYS 39 HD1 LYS 39 26.057 -7.505 7.899 279 HE2 LYS 39 HE2 LYS 39 23.070 -7.349 8.384 280 HE3 LYS 39 HE1 LYS 39 24.246 -7.783 9.624 281 HZ1 LYS 39 HZ1 LYS 39 25.390 -5.630 9.028 282 HZ2 LYS 39 HZ2 LYS 39 23.907 -5.491 9.847 283 HZ3 LYS 39 HZ3 LYS 39 23.985 -5.219 8.172 284 H LYS 40 HN LYS 40 24.266 -7.424 2.472 285 HA LYS 40 HA LYS 40 25.893 -5.037 2.768 286 HB2 LYS 40 HB2 LYS 40 26.699 -7.324 1.907 287 HB3 LYS 40 HB1 LYS 40 25.890 -6.900 0.398 288 HG2 LYS 40 HG2 LYS 40 27.974 -6.017 -0.044 289 HG3 LYS 40 HG1 LYS 40 27.241 -4.623 0.750 290 HD2 LYS 40 HD2 LYS 40 28.155 -5.619 2.946 291 HD3 LYS 40 HD1 LYS 40 29.153 -6.647 1.917 292 HE2 LYS 40 HE2 LYS 40 29.147 -3.626 2.062 293 HE3 LYS 40 HE1 LYS 40 30.483 -4.722 2.417 294 HZ1 LYS 40 HZ1 LYS 40 30.761 -5.232 0.184 295 HZ2 LYS 40 HZ2 LYS 40 30.449 -3.562 0.159 296 HZ3 LYS 40 HZ3 LYS 40 29.225 -4.665 -0.252 297 H CYS 41 HN CYS 41 23.168 -6.139 0.879 298 HA CYS 41 HA CYS 41 23.264 -4.164 -1.153 299 HB2 CYS 41 HB2 CYS 41 21.891 -6.092 -1.506 300 HB3 CYS 41 HB1 CYS 41 20.989 -5.798 -0.019 301 H GLN 42 HN GLN 42 20.908 -4.354 1.523 302 HA GLN 42 HA GLN 42 19.813 -1.877 1.406 303 HB2 GLN 42 HB2 GLN 42 19.417 -2.030 3.820 304 HB3 GLN 42 HB1 GLN 42 19.169 -3.600 3.056 305 HG2 GLN 42 HG2 GLN 42 20.508 -4.238 4.829 306 HG3 GLN 42 HG1 GLN 42 21.745 -3.901 3.622 307 HE21 GLN 42 HE21 GLN 42 23.393 -3.160 5.069 308 HE22 GLN 42 HE22 GLN 42 23.223 -1.761 6.014 309 H ASP 43 HN ASP 43 22.939 -2.721 2.859 310 HA ASP 43 HA ASP 43 23.575 -0.267 4.025 311 HB2 ASP 43 HB2 ASP 43 24.837 -2.561 4.033 312 HB3 ASP 43 HB1 ASP 43 25.670 -1.898 2.628 313 H LEU 44 HN LEU 44 23.850 -1.358 0.683 314 HA LEU 44 HA LEU 44 25.245 1.006 -0.194 315 HB2 LEU 44 HB2 LEU 44 24.022 -1.376 -1.556 316 HB3 LEU 44 HB1 LEU 44 24.496 0.034 -2.503 317 HG LEU 44 HG LEU 44 26.486 -0.943 -0.524 318 HD11 LEU 44 HD11 LEU 44 25.759 -2.458 -3.046 319 HD12 LEU 44 HD12 LEU 44 25.743 -3.076 -1.394 320 HD13 LEU 44 HD13 LEU 44 27.275 -2.675 -2.170 321 HD21 LEU 44 HD21 LEU 44 26.717 0.987 -2.201 322 HD22 LEU 44 HD22 LEU 44 26.801 -0.253 -3.453 323 HD23 LEU 44 HD23 LEU 44 28.026 -0.195 -2.186 324 H LEU 45 HN LEU 45 21.939 -0.269 -0.652 325 HA LEU 45 HA LEU 45 20.922 1.893 -2.065 326 HB2 LEU 45 HB2 LEU 45 19.855 -0.399 -0.614 327 HB3 LEU 45 HB1 LEU 45 18.802 1.006 -0.483 328 HG LEU 45 HG LEU 45 18.220 -0.342 -2.451 329 HD11 LEU 45 HD11 LEU 45 17.718 1.520 -3.611 330 HD12 LEU 45 HD12 LEU 45 19.422 1.901 -3.879 331 HD13 LEU 45 HD13 LEU 45 18.635 2.395 -2.383 332 HD21 LEU 45 HD21 LEU 45 20.370 0.186 -4.208 333 HD22 LEU 45 HD22 LEU 45 19.853 -1.380 -3.572 334 HD23 LEU 45 HD23 LEU 45 21.090 -0.453 -2.727 335 H HIS 46 HN HIS 46 20.888 1.303 1.433 336 HA HIS 46 HA HIS 46 21.261 4.034 2.089 337 HB2 HIS 46 HB2 HIS 46 19.039 4.471 1.359 338 HB3 HIS 46 HB1 HIS 46 18.418 3.022 2.149 339 HD1 HIS 46 HD1 HIS 46 17.819 3.186 4.613 340 HD2 HIS 46 HD2 HIS 46 19.787 6.587 3.220 341 HE1 HIS 46 HE1 HIS 46 17.674 4.906 6.466 Start of MODEL 9 1 HA ALA 1 HA ALA 1 11.603 -17.929 4.193 2 HB1 ALA 1 HB1 ALA 1 10.626 -19.122 6.206 3 HB2 ALA 1 HB2 ALA 1 12.101 -18.703 7.078 4 HB3 ALA 1 HB3 ALA 1 12.181 -19.747 5.659 5 H ASP 2 HN ASP 2 11.911 -16.469 7.443 6 HA ASP 2 HA ASP 2 9.475 -14.900 6.903 7 HB2 ASP 2 HB2 ASP 2 9.486 -14.494 9.361 8 HB3 ASP 2 HB1 ASP 2 9.377 -16.204 8.945 9 H ASN 3 HN ASN 3 11.844 -14.112 5.605 10 HA ASN 3 HA ASN 3 11.980 -11.377 6.384 11 HB2 ASN 3 HB2 ASN 3 13.441 -12.504 8.133 12 HB3 ASN 3 HB1 ASN 3 14.543 -12.910 6.819 13 HD21 ASN 3 HD21 ASN 3 13.666 -10.433 9.033 14 HD22 ASN 3 HD22 ASN 3 14.588 -9.185 8.344 15 H LYS 4 HN LYS 4 11.341 -12.523 4.002 16 HA LYS 4 HA LYS 4 13.646 -11.799 2.301 17 HB2 LYS 4 HB2 LYS 4 12.890 -13.546 0.698 18 HB3 LYS 4 HB1 LYS 4 13.409 -14.212 2.238 19 HG2 LYS 4 HG2 LYS 4 11.301 -14.888 2.828 20 HG3 LYS 4 HG1 LYS 4 10.520 -13.526 2.036 21 HD2 LYS 4 HD2 LYS 4 9.977 -15.596 0.854 22 HD3 LYS 4 HD1 LYS 4 10.986 -14.578 -0.173 23 HE2 LYS 4 HE2 LYS 4 11.733 -16.954 -0.171 24 HE3 LYS 4 HE1 LYS 4 12.968 -15.865 0.452 25 HZ1 LYS 4 HZ1 LYS 4 12.499 -17.958 1.775 26 HZ2 LYS 4 HZ2 LYS 4 11.043 -17.215 2.240 27 HZ3 LYS 4 HZ3 LYS 4 12.532 -16.499 2.639 28 H CYS 5 HN CYS 5 11.718 -12.525 0.021 29 HA CYS 5 HA CYS 5 10.707 -9.867 -0.373 30 HB2 CYS 5 HB2 CYS 5 10.642 -12.430 -1.943 31 HB3 CYS 5 HB1 CYS 5 9.662 -11.050 -2.440 32 H GLU 6 HN GLU 6 9.650 -11.845 1.783 33 HA GLU 6 HA GLU 6 6.799 -11.796 1.033 34 HB2 GLU 6 HB2 GLU 6 6.440 -13.429 2.749 35 HB3 GLU 6 HB1 GLU 6 7.860 -13.947 1.839 36 HG2 GLU 6 HG2 GLU 6 8.778 -14.130 3.923 37 HG3 GLU 6 HG1 GLU 6 9.055 -12.402 3.709 38 H ASN 7 HN ASN 7 9.092 -10.070 2.798 39 HA ASN 7 HA ASN 7 7.225 -9.139 4.840 40 HB2 ASN 7 HB2 ASN 7 9.917 -9.493 4.888 41 HB3 ASN 7 HB1 ASN 7 9.826 -7.774 4.508 42 HD21 ASN 7 HD21 ASN 7 10.102 -9.768 7.114 43 HD22 ASN 7 HD22 ASN 7 9.292 -8.839 8.281 44 H SER 8 HN SER 8 8.249 -6.462 4.955 45 HA SER 8 HA SER 8 6.395 -5.061 3.459 46 HB2 SER 8 HB2 SER 8 9.031 -3.784 4.061 47 HB3 SER 8 HB1 SER 8 7.405 -3.135 4.247 48 HG SER 8 HG SER 8 7.144 -4.720 5.952 49 H LEU 9 HN LEU 9 6.243 -4.438 1.397 50 HA LEU 9 HA LEU 9 7.734 -5.485 -0.644 51 HB2 LEU 9 HB2 LEU 9 6.544 -2.718 -0.812 52 HB3 LEU 9 HB1 LEU 9 6.679 -3.928 -2.088 53 HG LEU 9 HG LEU 9 5.250 -5.273 -0.144 54 HD11 LEU 9 HD11 LEU 9 5.072 -3.053 1.069 55 HD12 LEU 9 HD12 LEU 9 3.525 -3.794 0.663 56 HD13 LEU 9 HD13 LEU 9 4.144 -2.456 -0.305 57 HD21 LEU 9 HD21 LEU 9 4.352 -3.639 -2.528 58 HD22 LEU 9 HD22 LEU 9 3.279 -4.733 -1.656 59 HD23 LEU 9 HD23 LEU 9 4.701 -5.366 -2.484 60 H ARG 10 HN ARG 10 8.640 -3.001 1.522 61 HA ARG 10 HA ARG 10 10.439 -1.505 -0.035 62 HB2 ARG 10 HB2 ARG 10 10.465 -2.176 2.915 63 HB3 ARG 10 HB1 ARG 10 11.527 -0.985 2.162 64 HG2 ARG 10 HG2 ARG 10 8.634 -0.720 1.546 65 HG3 ARG 10 HG1 ARG 10 9.107 -0.355 3.206 66 HD2 ARG 10 HD2 ARG 10 10.805 1.229 2.380 67 HD3 ARG 10 HD1 ARG 10 10.349 0.859 0.720 68 HE ARG 10 HE ARG 10 8.895 2.541 2.580 69 HH11 ARG 10 HH21 ARG 10 8.787 0.563 -0.257 70 HH12 ARG 10 HH22 ARG 10 7.391 1.346 -0.918 71 HH21 ARG 10 HH11 ARG 10 7.065 3.573 1.720 72 HH22 ARG 10 HH12 ARG 10 6.416 3.050 0.203 73 H ARG 11 HN ARG 11 10.990 -4.377 2.001 74 HA ARG 11 HA ARG 11 13.747 -4.628 1.542 75 HB2 ARG 11 HB2 ARG 11 11.995 -7.045 1.845 76 HB3 ARG 11 HB1 ARG 11 13.582 -6.721 2.545 77 HG2 ARG 11 HG2 ARG 11 12.303 -4.741 3.742 78 HG3 ARG 11 HG1 ARG 11 10.888 -5.745 3.425 79 HD2 ARG 11 HD2 ARG 11 11.590 -6.504 5.527 80 HD3 ARG 11 HD1 ARG 11 12.320 -7.672 4.429 81 HE ARG 11 HE ARG 11 14.251 -5.764 4.696 82 HH11 ARG 11 HH21 ARG 11 12.315 -7.614 6.889 83 HH12 ARG 11 HH22 ARG 11 13.517 -7.650 8.136 84 HH21 ARG 11 HH11 ARG 11 15.831 -5.808 6.327 85 HH22 ARG 11 HH12 ARG 11 15.507 -6.627 7.818 86 H GLU 12 HN GLU 12 10.972 -5.918 -0.244 87 HA GLU 12 HA GLU 12 12.419 -7.498 -2.077 88 HB2 GLU 12 HB2 GLU 12 10.052 -7.824 -1.911 89 HB3 GLU 12 HB1 GLU 12 9.730 -6.127 -2.265 90 HG2 GLU 12 HG2 GLU 12 10.194 -6.363 -4.524 91 HG3 GLU 12 HG1 GLU 12 11.270 -7.735 -4.267 92 H ILE 13 HN ILE 13 11.275 -4.131 -2.298 93 HA ILE 13 HA ILE 13 12.257 -3.652 -4.901 94 HB ILE 13 HB ILE 13 11.788 -1.727 -2.613 95 HG12 ILE 13 HG12 ILE 13 9.993 -2.129 -4.994 96 HG13 ILE 13 HG11 ILE 13 9.890 -3.250 -3.637 97 HG21 ILE 13 HG21 ILE 13 11.544 -0.087 -4.544 98 HG22 ILE 13 HG22 ILE 13 12.257 -1.325 -5.577 99 HG23 ILE 13 HG23 ILE 13 13.189 -0.651 -4.244 100 HD11 ILE 13 HD11 ILE 13 8.439 -1.005 -3.713 101 HD12 ILE 13 HD12 ILE 13 9.911 -0.331 -3.012 102 HD13 ILE 13 HD13 ILE 13 9.068 -1.648 -2.195 103 H ALA 14 HN ALA 14 13.665 -3.127 -1.695 104 HA ALA 14 HA ALA 14 16.009 -1.841 -2.429 105 HB1 ALA 14 HB1 ALA 14 16.927 -2.645 -0.336 106 HB2 ALA 14 HB2 ALA 14 15.673 -3.866 -0.247 107 HB3 ALA 14 HB3 ALA 14 15.241 -2.170 -0.110 108 H CYS 15 HN CYS 15 16.026 -5.209 -1.407 109 HA CYS 15 HA CYS 15 18.407 -6.000 -2.503 110 HB2 CYS 15 HB2 CYS 15 16.367 -7.285 -1.216 111 HB3 CYS 15 HB1 CYS 15 16.272 -8.009 -2.829 112 H GLY 16 HN GLY 16 15.306 -5.618 -4.117 113 HA2 GLY 16 HA2 GLY 16 15.869 -6.896 -6.544 114 HA3 GLY 16 HA1 GLY 16 14.733 -5.564 -6.341 115 H GLN 17 HN GLN 17 15.636 -3.366 -6.338 116 HA GLN 17 HA GLN 17 17.041 -2.689 -8.576 117 HB2 GLN 17 HB2 GLN 17 17.039 -1.279 -5.898 118 HB3 GLN 17 HB1 GLN 17 17.649 -0.565 -7.392 119 HG2 GLN 17 HG2 GLN 17 14.880 -1.736 -7.304 120 HG3 GLN 17 HG1 GLN 17 15.171 -0.109 -6.693 121 HE21 GLN 17 HE21 GLN 17 16.752 1.166 -8.396 122 HE22 GLN 17 HE22 GLN 17 16.212 1.078 -10.003 123 H CYS 18 HN CYS 18 18.422 -3.261 -5.348 124 HA CYS 18 HA CYS 18 21.053 -2.673 -5.703 125 HB2 CYS 18 HB2 CYS 18 20.484 -3.521 -3.593 126 HB3 CYS 18 HB1 CYS 18 19.735 -4.964 -4.272 127 H ARG 19 HN ARG 19 20.065 -6.076 -6.076 128 HA ARG 19 HA ARG 19 22.275 -6.857 -7.584 129 HB2 ARG 19 HB2 ARG 19 19.466 -7.980 -7.623 130 HB3 ARG 19 HB1 ARG 19 20.895 -8.806 -8.238 131 HG2 ARG 19 HG2 ARG 19 20.542 -7.857 -5.377 132 HG3 ARG 19 HG1 ARG 19 20.299 -9.516 -5.918 133 HD2 ARG 19 HD2 ARG 19 22.483 -9.664 -5.225 134 HD3 ARG 19 HD1 ARG 19 22.750 -9.185 -6.896 135 HE ARG 19 HE ARG 19 22.680 -6.794 -5.727 136 HH11 ARG 19 HH21 ARG 19 24.179 -9.761 -4.744 137 HH12 ARG 19 HH22 ARG 19 25.462 -8.983 -3.885 138 HH21 ARG 19 HH11 ARG 19 24.362 -5.777 -4.612 139 HH22 ARG 19 HH12 ARG 19 25.568 -6.727 -3.812 140 H ASP 20 HN ASP 20 19.400 -5.194 -8.546 141 HA ASP 20 HA ASP 20 19.741 -5.711 -11.370 142 HB2 ASP 20 HB2 ASP 20 17.604 -4.923 -9.812 143 HB3 ASP 20 HB1 ASP 20 18.051 -3.431 -10.634 144 H LYS 21 HN LYS 21 21.264 -3.726 -9.147 145 HA LYS 21 HA LYS 21 21.823 -1.621 -11.120 146 HB2 LYS 21 HB2 LYS 21 22.041 -1.808 -8.137 147 HB3 LYS 21 HB1 LYS 21 23.022 -0.639 -9.013 148 HG2 LYS 21 HG2 LYS 21 20.152 -0.751 -9.765 149 HG3 LYS 21 HG1 LYS 21 20.512 -0.115 -8.163 150 HD2 LYS 21 HD2 LYS 21 21.821 1.638 -9.011 151 HD3 LYS 21 HD1 LYS 21 22.072 0.826 -10.555 152 HE2 LYS 21 HE2 LYS 21 20.439 2.746 -10.669 153 HE3 LYS 21 HE1 LYS 21 19.771 1.203 -11.205 154 HZ1 LYS 21 HZ1 LYS 21 18.190 1.477 -9.699 155 HZ2 LYS 21 HZ2 LYS 21 18.946 2.856 -9.056 156 HZ3 LYS 21 HZ3 LYS 21 19.356 1.311 -8.480 157 H VAL 22 HN VAL 22 23.199 -4.293 -9.407 158 HA VAL 22 HA VAL 22 25.821 -3.717 -10.662 159 HB VAL 22 HB VAL 22 26.243 -5.555 -8.634 160 HG11 VAL 22 HG11 VAL 22 26.616 -2.549 -8.730 161 HG12 VAL 22 HG12 VAL 22 27.786 -3.773 -9.223 162 HG13 VAL 22 HG13 VAL 22 27.363 -3.596 -7.521 163 HG21 VAL 22 HG21 VAL 22 25.235 -4.626 -6.675 164 HG22 VAL 22 HG22 VAL 22 23.961 -4.984 -7.823 165 HG23 VAL 22 HG23 VAL 22 24.503 -3.314 -7.604 166 H LYS 23 HN LYS 23 23.863 -6.426 -9.382 167 HA LYS 23 HA LYS 23 25.152 -8.228 -11.264 168 HB2 LYS 23 HB2 LYS 23 23.008 -8.780 -9.209 169 HB3 LYS 23 HB1 LYS 23 23.910 -9.993 -10.114 170 HG2 LYS 23 HG2 LYS 23 25.132 -7.949 -8.237 171 HG3 LYS 23 HG1 LYS 23 24.842 -9.641 -7.837 172 HD2 LYS 23 HD2 LYS 23 26.235 -9.970 -10.130 173 HD3 LYS 23 HD1 LYS 23 26.922 -8.438 -9.591 174 HE2 LYS 23 HE2 LYS 23 26.992 -11.121 -8.241 175 HE3 LYS 23 HE1 LYS 23 28.308 -9.980 -8.519 176 HZ1 LYS 23 HZ1 LYS 23 26.190 -9.905 -6.477 177 HZ2 LYS 23 HZ2 LYS 23 26.930 -8.460 -6.981 178 HZ3 LYS 23 HZ3 LYS 23 27.864 -9.701 -6.292 179 H THR 24 HN THR 24 22.019 -9.220 -10.623 180 HA THR 24 HA THR 24 20.680 -7.872 -12.792 181 HB THR 24 HB THR 24 21.942 -9.399 -14.154 182 HG1 THR 24 HG1 THR 24 20.151 -9.744 -15.155 183 HG21 THR 24 HG21 THR 24 21.708 -11.893 -13.708 184 HG22 THR 24 HG22 THR 24 21.045 -11.459 -12.132 185 HG23 THR 24 HG23 THR 24 22.696 -11.004 -12.549 186 H ASP 25 HN ASP 25 18.531 -9.171 -13.261 187 HA ASP 25 HA ASP 25 17.105 -9.247 -10.802 188 HB2 ASP 25 HB2 ASP 25 15.183 -9.844 -12.145 189 HB3 ASP 25 HB1 ASP 25 16.105 -8.607 -12.996 190 H GLY 26 HN GLY 26 19.002 -11.549 -12.424 191 HA2 GLY 26 HA2 GLY 26 17.616 -13.927 -11.639 192 HA3 GLY 26 HA1 GLY 26 19.285 -13.830 -12.193 193 H TYR 27 HN TYR 27 19.961 -11.815 -10.131 194 HA TYR 27 HA TYR 27 20.477 -13.703 -7.969 195 HB2 TYR 27 HB2 TYR 27 21.879 -11.518 -9.100 196 HB3 TYR 27 HB1 TYR 27 21.503 -11.085 -7.432 197 HD1 TYR 27 HD1 TYR 27 22.825 -13.924 -9.490 198 HD2 TYR 27 HD2 TYR 27 22.810 -11.938 -5.680 199 HE1 TYR 27 HE1 TYR 27 24.613 -15.445 -8.690 200 HE2 TYR 27 HE2 TYR 27 24.598 -13.459 -4.881 201 HH TYR 27 HH TYR 27 26.029 -15.066 -5.442 202 H PHE 28 HN PHE 28 18.665 -10.768 -8.613 203 HA PHE 28 HA PHE 28 18.027 -9.757 -6.170 204 HB2 PHE 28 HB2 PHE 28 16.868 -8.646 -7.793 205 HB3 PHE 28 HB1 PHE 28 16.486 -10.121 -8.680 206 HD1 PHE 28 HD1 PHE 28 15.863 -8.834 -5.203 207 HD2 PHE 28 HD2 PHE 28 14.205 -10.598 -8.753 208 HE1 PHE 28 HE1 PHE 28 13.628 -8.897 -4.129 209 HE2 PHE 28 HE2 PHE 28 11.971 -10.660 -7.678 210 HZ PHE 28 HZ PHE 28 11.683 -9.810 -5.367 211 H TYR 29 HN TYR 29 16.469 -12.605 -7.640 212 HA TYR 29 HA TYR 29 14.759 -13.150 -5.453 213 HB2 TYR 29 HB2 TYR 29 15.732 -14.667 -7.827 214 HB3 TYR 29 HB1 TYR 29 14.966 -15.569 -6.518 215 HD1 TYR 29 HD2 TYR 29 12.621 -15.197 -5.927 216 HD2 TYR 29 HD1 TYR 29 14.484 -13.015 -9.123 217 HE1 TYR 29 HE2 TYR 29 10.391 -14.464 -6.726 218 HE2 TYR 29 HE1 TYR 29 12.255 -12.282 -9.922 219 HH TYR 29 HH TYR 29 9.352 -13.678 -8.803 220 H GLU 30 HN GLU 30 17.950 -14.452 -6.336 221 HA GLU 30 HA GLU 30 18.189 -16.268 -4.201 222 HB2 GLU 30 HB2 GLU 30 19.903 -15.166 -6.265 223 HB3 GLU 30 HB1 GLU 30 20.774 -15.367 -4.748 224 HG2 GLU 30 HG2 GLU 30 20.911 -17.418 -6.088 225 HG3 GLU 30 HG1 GLU 30 19.983 -17.711 -4.619 226 H CYS 31 HN CYS 31 18.966 -12.798 -4.419 227 HA CYS 31 HA CYS 31 20.308 -12.664 -1.927 228 HB2 CYS 31 HB2 CYS 31 20.442 -10.403 -2.352 229 HB3 CYS 31 HB1 CYS 31 20.226 -11.026 -3.977 230 H CYS 32 HN CYS 32 16.956 -12.151 -2.952 231 HA CYS 32 HA CYS 32 15.950 -11.135 -0.535 232 HB2 CYS 32 HB2 CYS 32 14.890 -11.636 -2.988 233 HB3 CYS 32 HB1 CYS 32 14.169 -12.940 -2.046 234 H THR 33 HN THR 33 16.542 -14.430 -1.623 235 HA THR 33 HA THR 33 15.269 -15.622 0.687 236 HB THR 33 HB THR 33 16.047 -17.740 -0.245 237 HG1 THR 33 HG1 THR 33 18.074 -16.683 -0.993 238 HG21 THR 33 HG21 THR 33 14.852 -15.729 -2.151 239 HG22 THR 33 HG22 THR 33 14.045 -17.028 -1.274 240 HG23 THR 33 HG23 THR 33 15.104 -17.406 -2.633 241 H SER 34 HN SER 34 18.528 -14.802 -0.348 242 HA SER 34 HA SER 34 19.714 -16.084 1.988 243 HB2 SER 34 HB2 SER 34 20.986 -16.277 -0.033 244 HB3 SER 34 HB1 SER 34 20.873 -14.547 -0.342 245 HG SER 34 HG SER 34 22.870 -15.449 0.693 246 H ASP 35 HN ASP 35 20.869 -14.953 3.597 247 HA ASP 35 HA ASP 35 19.781 -12.301 4.155 248 HB2 ASP 35 HB2 ASP 35 20.604 -14.523 5.721 249 HB3 ASP 35 HB1 ASP 35 21.656 -13.171 6.134 250 H SER 36 HN SER 36 23.037 -13.772 4.313 251 HA SER 36 HA SER 36 24.599 -11.565 4.579 252 HB2 SER 36 HB2 SER 36 26.265 -12.792 3.062 253 HB3 SER 36 HB1 SER 36 25.697 -13.656 4.488 254 HG SER 36 HG SER 36 24.187 -13.904 2.166 255 H THR 37 HN THR 37 23.943 -12.932 1.344 256 HA THR 37 HA THR 37 24.861 -10.878 -0.211 257 HB THR 37 HB THR 37 22.294 -12.352 -0.793 258 HG1 THR 37 HG1 THR 37 24.035 -13.729 -0.097 259 HG21 THR 37 HG21 THR 37 23.011 -10.500 -2.326 260 HG22 THR 37 HG22 THR 37 22.967 -12.081 -3.105 261 HG23 THR 37 HG23 THR 37 24.510 -11.383 -2.615 262 H PHE 38 HN PHE 38 21.637 -11.139 1.264 263 HA PHE 38 HA PHE 38 20.641 -8.696 0.201 264 HB2 PHE 38 HB2 PHE 38 18.932 -10.079 0.925 265 HB3 PHE 38 HB1 PHE 38 19.807 -10.577 2.372 266 HD1 PHE 38 HD1 PHE 38 18.429 -7.456 0.804 267 HD2 PHE 38 HD2 PHE 38 19.143 -9.664 4.420 268 HE1 PHE 38 HE1 PHE 38 17.263 -5.699 2.108 269 HE2 PHE 38 HE2 PHE 38 17.976 -7.906 5.723 270 HZ PHE 38 HZ PHE 38 17.037 -5.924 4.567 271 H LYS 39 HN LYS 39 22.531 -9.526 3.024 272 HA LYS 39 HA LYS 39 22.135 -7.109 4.470 273 HB2 LYS 39 HB2 LYS 39 23.403 -9.513 4.960 274 HB3 LYS 39 HB1 LYS 39 24.746 -8.375 4.838 275 HG2 LYS 39 HG2 LYS 39 23.426 -6.856 6.410 276 HG3 LYS 39 HG1 LYS 39 22.365 -8.237 6.695 277 HD2 LYS 39 HD2 LYS 39 24.659 -9.493 7.124 278 HD3 LYS 39 HD1 LYS 39 25.237 -7.862 7.461 279 HE2 LYS 39 HE2 LYS 39 23.437 -7.558 9.119 280 HE3 LYS 39 HE1 LYS 39 22.845 -9.184 8.779 281 HZ1 LYS 39 HZ1 LYS 39 24.866 -8.420 10.548 282 HZ2 LYS 39 HZ2 LYS 39 25.594 -9.324 9.305 283 HZ3 LYS 39 HZ3 LYS 39 24.313 -9.986 10.205 284 H LYS 40 HN LYS 40 24.056 -7.946 1.725 285 HA LYS 40 HA LYS 40 25.841 -5.659 2.027 286 HB2 LYS 40 HB2 LYS 40 26.538 -7.919 1.068 287 HB3 LYS 40 HB1 LYS 40 25.612 -7.482 -0.367 288 HG2 LYS 40 HG2 LYS 40 27.671 -6.636 -0.978 289 HG3 LYS 40 HG1 LYS 40 27.018 -5.227 -0.143 290 HD2 LYS 40 HD2 LYS 40 28.085 -6.299 1.987 291 HD3 LYS 40 HD1 LYS 40 29.045 -7.226 0.835 292 HE2 LYS 40 HE2 LYS 40 28.976 -4.245 1.257 293 HE3 LYS 40 HE1 LYS 40 30.371 -5.323 1.221 294 HZ1 LYS 40 HZ1 LYS 40 30.375 -4.211 -0.825 295 HZ2 LYS 40 HZ2 LYS 40 28.704 -4.416 -1.049 296 HZ3 LYS 40 HZ3 LYS 40 29.750 -5.750 -1.171 297 H CYS 41 HN CYS 41 22.984 -6.600 0.241 298 HA CYS 41 HA CYS 41 23.048 -4.555 -1.719 299 HB2 CYS 41 HB2 CYS 41 20.953 -6.377 -0.607 300 HB3 CYS 41 HB1 CYS 41 20.452 -5.013 -1.607 301 H GLN 42 HN GLN 42 21.124 -4.785 1.284 302 HA GLN 42 HA GLN 42 19.987 -2.267 1.243 303 HB2 GLN 42 HB2 GLN 42 19.645 -2.516 3.613 304 HB3 GLN 42 HB1 GLN 42 19.500 -4.116 2.885 305 HG2 GLN 42 HG2 GLN 42 21.979 -4.434 3.423 306 HG3 GLN 42 HG1 GLN 42 21.848 -2.983 4.416 307 HE21 GLN 42 HE21 GLN 42 18.843 -4.175 4.728 308 HE22 GLN 42 HE22 GLN 42 19.050 -5.213 6.054 309 H ASP 43 HN ASP 43 23.192 -3.257 2.362 310 HA ASP 43 HA ASP 43 24.036 -0.937 3.630 311 HB2 ASP 43 HB2 ASP 43 25.215 -3.304 3.016 312 HB3 ASP 43 HB1 ASP 43 26.034 -2.236 1.878 313 H LEU 44 HN LEU 44 23.770 -1.672 0.211 314 HA LEU 44 HA LEU 44 25.096 0.775 -0.593 315 HB2 LEU 44 HB2 LEU 44 23.644 -1.392 -2.122 316 HB3 LEU 44 HB1 LEU 44 24.301 0.052 -2.895 317 HG LEU 44 HG LEU 44 26.153 -1.373 -1.073 318 HD11 LEU 44 HD11 LEU 44 26.688 -3.075 -2.806 319 HD12 LEU 44 HD12 LEU 44 25.288 -2.541 -3.736 320 HD13 LEU 44 HD13 LEU 44 25.063 -3.284 -2.153 321 HD21 LEU 44 HD21 LEU 44 26.593 0.655 -2.611 322 HD22 LEU 44 HD22 LEU 44 26.555 -0.504 -3.940 323 HD23 LEU 44 HD23 LEU 44 27.765 -0.662 -2.666 324 H LEU 45 HN LEU 45 21.781 -0.540 -0.856 325 HA LEU 45 HA LEU 45 20.579 1.713 -1.940 326 HB2 LEU 45 HB2 LEU 45 19.730 -0.730 -0.613 327 HB3 LEU 45 HB1 LEU 45 18.674 0.622 -0.211 328 HG LEU 45 HG LEU 45 17.896 -0.554 -2.221 329 HD11 LEU 45 HD11 LEU 45 17.188 1.393 -3.106 330 HD12 LEU 45 HD12 LEU 45 18.826 1.882 -3.535 331 HD13 LEU 45 HD13 LEU 45 18.213 2.180 -1.907 332 HD21 LEU 45 HD21 LEU 45 19.830 0.289 -4.135 333 HD22 LEU 45 HD22 LEU 45 19.379 -1.359 -3.690 334 HD23 LEU 45 HD23 LEU 45 20.691 -0.555 -2.848 335 H HIS 46 HN HIS 46 20.925 0.815 1.480 336 HA HIS 46 HA HIS 46 20.813 3.669 2.166 337 HB2 HIS 46 HB2 HIS 46 18.653 1.857 2.619 338 HB3 HIS 46 HB1 HIS 46 19.362 2.273 4.180 339 HD1 HIS 46 HD1 HIS 46 18.990 4.461 1.079 340 HD2 HIS 46 HD2 HIS 46 17.744 4.348 5.055 341 HE1 HIS 46 HE1 HIS 46 17.754 6.630 1.504 Start of MODEL 10 1 HA ALA 1 HA ALA 1 11.610 -20.089 9.442 2 HB1 ALA 1 HB1 ALA 1 10.096 -21.914 7.853 3 HB2 ALA 1 HB2 ALA 1 9.339 -21.830 9.443 4 HB3 ALA 1 HB3 ALA 1 11.043 -22.261 9.300 5 H ASP 2 HN ASP 2 9.410 -18.095 8.212 6 HA ASP 2 HA ASP 2 10.774 -17.944 5.626 7 HB2 ASP 2 HB2 ASP 2 7.861 -17.583 5.409 8 HB3 ASP 2 HB1 ASP 2 8.984 -18.390 4.316 9 H ASN 3 HN ASN 3 11.531 -15.928 5.616 10 HA ASN 3 HA ASN 3 9.708 -13.697 5.923 11 HB2 ASN 3 HB2 ASN 3 10.475 -14.249 8.267 12 HB3 ASN 3 HB1 ASN 3 12.111 -13.844 7.749 13 HD21 ASN 3 HD21 ASN 3 12.055 -12.000 9.303 14 HD22 ASN 3 HD22 ASN 3 11.214 -10.583 8.895 15 H LYS 4 HN LYS 4 10.639 -14.068 3.607 16 HA LYS 4 HA LYS 4 13.298 -12.913 3.249 17 HB2 LYS 4 HB2 LYS 4 11.297 -13.962 1.235 18 HB3 LYS 4 HB1 LYS 4 12.931 -13.420 0.859 19 HG2 LYS 4 HG2 LYS 4 13.854 -15.346 1.595 20 HG3 LYS 4 HG1 LYS 4 12.857 -15.361 3.051 21 HD2 LYS 4 HD2 LYS 4 10.987 -16.305 1.833 22 HD3 LYS 4 HD1 LYS 4 11.847 -16.140 0.302 23 HE2 LYS 4 HE2 LYS 4 13.298 -17.896 0.770 24 HE3 LYS 4 HE1 LYS 4 13.121 -17.711 2.515 25 HZ1 LYS 4 HZ1 LYS 4 11.665 -19.369 0.750 26 HZ2 LYS 4 HZ2 LYS 4 10.604 -18.293 1.527 27 HZ3 LYS 4 HZ3 LYS 4 11.611 -19.309 2.444 28 H CYS 5 HN CYS 5 11.827 -12.053 0.541 29 HA CYS 5 HA CYS 5 11.465 -9.289 1.446 30 HB2 CYS 5 HB2 CYS 5 11.360 -8.916 -1.113 31 HB3 CYS 5 HB1 CYS 5 12.912 -9.356 -0.402 32 H GLU 6 HN GLU 6 9.492 -11.611 1.713 33 HA GLU 6 HA GLU 6 7.252 -10.541 0.133 34 HB2 GLU 6 HB2 GLU 6 6.138 -12.585 0.513 35 HB3 GLU 6 HB1 GLU 6 7.820 -13.049 0.253 36 HG2 GLU 6 HG2 GLU 6 7.991 -12.757 2.868 37 HG3 GLU 6 HG1 GLU 6 6.246 -12.991 2.806 38 H ASN 7 HN ASN 7 8.626 -9.671 2.858 39 HA ASN 7 HA ASN 7 6.208 -9.578 4.522 40 HB2 ASN 7 HB2 ASN 7 8.171 -10.247 5.720 41 HB3 ASN 7 HB1 ASN 7 9.097 -8.893 5.073 42 HD21 ASN 7 HD21 ASN 7 6.051 -9.434 6.945 43 HD22 ASN 7 HD22 ASN 7 6.280 -8.099 7.967 44 H SER 8 HN SER 8 8.806 -7.235 3.827 45 HA SER 8 HA SER 8 6.724 -5.147 3.540 46 HB2 SER 8 HB2 SER 8 8.726 -5.235 5.425 47 HB3 SER 8 HB1 SER 8 9.437 -4.230 4.166 48 HG SER 8 HG SER 8 6.781 -3.734 4.774 49 H LEU 9 HN LEU 9 6.929 -3.666 1.882 50 HA LEU 9 HA LEU 9 8.122 -4.549 -0.514 51 HB2 LEU 9 HB2 LEU 9 7.673 -2.118 -1.235 52 HB3 LEU 9 HB1 LEU 9 6.284 -3.092 -0.751 53 HG LEU 9 HG LEU 9 7.570 -1.713 1.501 54 HD11 LEU 9 HD11 LEU 9 6.448 0.492 0.797 55 HD12 LEU 9 HD12 LEU 9 6.463 -0.161 -0.842 56 HD13 LEU 9 HD13 LEU 9 7.981 0.094 0.020 57 HD21 LEU 9 HD21 LEU 9 4.731 -1.655 0.430 58 HD22 LEU 9 HD22 LEU 9 5.252 -1.232 2.060 59 HD23 LEU 9 HD23 LEU 9 5.353 -2.904 1.509 60 H ARG 10 HN ARG 10 9.294 -2.558 2.098 61 HA ARG 10 HA ARG 10 11.376 -1.180 0.867 62 HB2 ARG 10 HB2 ARG 10 11.285 -2.389 3.641 63 HB3 ARG 10 HB1 ARG 10 12.455 -1.186 3.101 64 HG2 ARG 10 HG2 ARG 10 9.671 -0.442 2.531 65 HG3 ARG 10 HG1 ARG 10 10.014 -0.612 4.253 66 HD2 ARG 10 HD2 ARG 10 11.798 0.980 4.147 67 HD3 ARG 10 HD1 ARG 10 11.784 0.976 2.386 68 HE ARG 10 HE ARG 10 9.998 2.451 4.123 69 HH11 ARG 10 HH21 ARG 10 10.512 1.027 1.011 70 HH12 ARG 10 HH22 ARG 10 9.389 2.064 0.198 71 HH21 ARG 10 HH11 ARG 10 8.523 3.816 3.062 72 HH22 ARG 10 HH12 ARG 10 8.263 3.644 1.359 73 H ARG 11 HN ARG 11 11.139 -4.546 1.818 74 HA ARG 11 HA ARG 11 13.920 -5.153 1.555 75 HB2 ARG 11 HB2 ARG 11 11.490 -6.955 1.431 76 HB3 ARG 11 HB1 ARG 11 13.160 -7.505 1.580 77 HG2 ARG 11 HG2 ARG 11 12.223 -5.471 3.548 78 HG3 ARG 11 HG1 ARG 11 11.598 -7.111 3.728 79 HD2 ARG 11 HD2 ARG 11 14.539 -6.689 3.297 80 HD3 ARG 11 HD1 ARG 11 13.855 -6.443 4.901 81 HE ARG 11 HE ARG 11 14.112 -8.983 3.491 82 HH11 ARG 11 HH21 ARG 11 12.689 -7.159 6.068 83 HH12 ARG 11 HH22 ARG 11 12.318 -8.551 7.031 84 HH21 ARG 11 HH11 ARG 11 13.627 -10.809 4.749 85 HH22 ARG 11 HH12 ARG 11 12.850 -10.616 6.284 86 H GLU 12 HN GLU 12 11.110 -5.896 -0.523 87 HA GLU 12 HA GLU 12 12.460 -7.010 -2.670 88 HB2 GLU 12 HB2 GLU 12 9.978 -6.913 -2.418 89 HB3 GLU 12 HB1 GLU 12 10.036 -5.203 -2.846 90 HG2 GLU 12 HG2 GLU 12 10.050 -5.743 -5.026 91 HG3 GLU 12 HG1 GLU 12 11.548 -6.644 -4.795 92 H ILE 13 HN ILE 13 12.117 -3.629 -1.755 93 HA ILE 13 HA ILE 13 13.059 -2.565 -4.244 94 HB ILE 13 HB ILE 13 12.858 -1.389 -1.470 95 HG12 ILE 13 HG12 ILE 13 11.191 -0.802 -3.928 96 HG13 ILE 13 HG11 ILE 13 10.749 -2.059 -2.776 97 HG21 ILE 13 HG21 ILE 13 14.211 0.234 -2.276 98 HG22 ILE 13 HG22 ILE 13 12.865 0.685 -3.307 99 HG23 ILE 13 HG23 ILE 13 14.118 -0.385 -3.924 100 HD11 ILE 13 HD11 ILE 13 10.227 0.723 -2.595 101 HD12 ILE 13 HD12 ILE 13 11.391 0.348 -1.329 102 HD13 ILE 13 HD13 ILE 13 9.858 -0.521 -1.401 103 H ALA 14 HN ALA 14 14.536 -2.809 -1.003 104 HA ALA 14 HA ALA 14 17.061 -1.929 -1.603 105 HB1 ALA 14 HB1 ALA 14 17.838 -3.394 0.252 106 HB2 ALA 14 HB2 ALA 14 16.246 -4.137 0.253 107 HB3 ALA 14 HB3 ALA 14 16.409 -2.435 0.656 108 H CYS 15 HN CYS 15 16.458 -5.403 -1.200 109 HA CYS 15 HA CYS 15 18.697 -6.310 -2.550 110 HB2 CYS 15 HB2 CYS 15 16.143 -7.429 -1.672 111 HB3 CYS 15 HB1 CYS 15 16.810 -8.253 -3.083 112 H GLY 16 HN GLY 16 15.572 -5.332 -3.827 113 HA2 GLY 16 HA2 GLY 16 15.776 -6.334 -6.424 114 HA3 GLY 16 HA1 GLY 16 14.880 -4.885 -5.973 115 H GLN 17 HN GLN 17 15.908 -2.856 -6.060 116 HA GLN 17 HA GLN 17 17.326 -2.112 -8.207 117 HB2 GLN 17 HB2 GLN 17 17.756 -1.019 -5.420 118 HB3 GLN 17 HB1 GLN 17 18.248 -0.215 -6.910 119 HG2 GLN 17 HG2 GLN 17 15.714 -0.578 -7.582 120 HG3 GLN 17 HG1 GLN 17 15.485 -0.694 -5.838 121 HE21 GLN 17 HE21 GLN 17 15.418 1.256 -4.676 122 HE22 GLN 17 HE22 GLN 17 15.792 2.772 -5.341 123 H CYS 18 HN CYS 18 18.798 -3.275 -5.190 124 HA CYS 18 HA CYS 18 21.459 -2.989 -5.651 125 HB2 CYS 18 HB2 CYS 18 20.360 -4.184 -3.700 126 HB3 CYS 18 HB1 CYS 18 20.294 -5.611 -4.720 127 H ARG 19 HN ARG 19 20.051 -6.179 -6.386 128 HA ARG 19 HA ARG 19 22.070 -6.764 -8.310 129 HB2 ARG 19 HB2 ARG 19 19.403 -8.112 -7.896 130 HB3 ARG 19 HB1 ARG 19 20.800 -8.789 -8.739 131 HG2 ARG 19 HG2 ARG 19 20.748 -7.961 -5.820 132 HG3 ARG 19 HG1 ARG 19 20.649 -9.618 -6.408 133 HD2 ARG 19 HD2 ARG 19 22.902 -9.521 -6.053 134 HD3 ARG 19 HD1 ARG 19 22.874 -8.890 -7.694 135 HE ARG 19 HE ARG 19 22.703 -6.611 -6.385 136 HH11 ARG 19 HH21 ARG 19 24.582 -9.428 -5.632 137 HH12 ARG 19 HH22 ARG 19 25.826 -8.540 -4.821 138 HH21 ARG 19 HH11 ARG 19 24.331 -5.456 -5.323 139 HH22 ARG 19 HH12 ARG 19 25.687 -6.296 -4.650 140 H ASP 20 HN ASP 20 19.701 -4.574 -8.561 141 HA ASP 20 HA ASP 20 19.091 -5.170 -11.384 142 HB2 ASP 20 HB2 ASP 20 17.532 -4.159 -9.262 143 HB3 ASP 20 HB1 ASP 20 17.737 -2.839 -10.406 144 H LYS 21 HN LYS 21 21.337 -3.502 -9.606 145 HA LYS 21 HA LYS 21 21.650 -1.466 -11.733 146 HB2 LYS 21 HB2 LYS 21 22.278 0.134 -10.184 147 HB3 LYS 21 HB1 LYS 21 21.078 -0.764 -9.256 148 HG2 LYS 21 HG2 LYS 21 23.050 -2.211 -8.459 149 HG3 LYS 21 HG1 LYS 21 24.078 -0.927 -9.082 150 HD2 LYS 21 HD2 LYS 21 21.901 -0.606 -7.007 151 HD3 LYS 21 HD1 LYS 21 23.639 -0.568 -6.704 152 HE2 LYS 21 HE2 LYS 21 23.246 1.699 -6.909 153 HE3 LYS 21 HE1 LYS 21 23.562 1.304 -8.598 154 HZ1 LYS 21 HZ1 LYS 21 21.155 0.999 -8.897 155 HZ2 LYS 21 HZ2 LYS 21 21.561 2.586 -8.443 156 HZ3 LYS 21 HZ3 LYS 21 20.902 1.515 -7.300 157 H VAL 22 HN VAL 22 23.071 -3.995 -9.833 158 HA VAL 22 HA VAL 22 25.685 -3.519 -11.113 159 HB VAL 22 HB VAL 22 26.336 -5.271 -9.288 160 HG11 VAL 22 HG11 VAL 22 26.332 -3.171 -7.620 161 HG12 VAL 22 HG12 VAL 22 25.915 -2.331 -9.113 162 HG13 VAL 22 HG13 VAL 22 27.413 -3.255 -9.012 163 HG21 VAL 22 HG21 VAL 22 24.947 -5.614 -7.539 164 HG22 VAL 22 HG22 VAL 22 23.714 -5.231 -8.730 165 HG23 VAL 22 HG23 VAL 22 24.274 -3.986 -7.617 166 H LYS 23 HN LYS 23 23.377 -6.078 -10.211 167 HA LYS 23 HA LYS 23 24.566 -7.800 -12.294 168 HB2 LYS 23 HB2 LYS 23 22.779 -8.669 -10.020 169 HB3 LYS 23 HB1 LYS 23 23.756 -9.691 -11.075 170 HG2 LYS 23 HG2 LYS 23 24.792 -7.673 -9.060 171 HG3 LYS 23 HG1 LYS 23 24.898 -9.429 -8.934 172 HD2 LYS 23 HD2 LYS 23 26.119 -9.267 -11.243 173 HD3 LYS 23 HD1 LYS 23 26.371 -7.582 -10.795 174 HE2 LYS 23 HE2 LYS 23 27.401 -10.064 -9.451 175 HE3 LYS 23 HE1 LYS 23 28.279 -8.608 -9.918 176 HZ1 LYS 23 HZ1 LYS 23 27.567 -9.056 -7.440 177 HZ2 LYS 23 HZ2 LYS 23 26.122 -8.331 -7.965 178 HZ3 LYS 23 HZ3 LYS 23 27.593 -7.487 -8.086 179 H THR 24 HN THR 24 21.786 -9.209 -11.424 180 HA THR 24 HA THR 24 19.936 -7.642 -13.018 181 HB THR 24 HB THR 24 21.261 -8.918 -14.709 182 HG1 THR 24 HG1 THR 24 18.902 -10.213 -14.940 183 HG21 THR 24 HG21 THR 24 19.955 -11.460 -13.994 184 HG22 THR 24 HG22 THR 24 21.199 -10.939 -12.856 185 HG23 THR 24 HG23 THR 24 21.598 -11.158 -14.560 186 H ASP 25 HN ASP 25 18.188 -9.832 -13.579 187 HA ASP 25 HA ASP 25 16.864 -10.032 -11.055 188 HB2 ASP 25 HB2 ASP 25 16.045 -10.196 -13.646 189 HB3 ASP 25 HB1 ASP 25 16.046 -11.898 -13.187 190 H GLY 26 HN GLY 26 18.586 -12.356 -13.123 191 HA2 GLY 26 HA2 GLY 26 18.199 -14.723 -11.829 192 HA3 GLY 26 HA1 GLY 26 19.745 -14.272 -12.540 193 H TYR 27 HN TYR 27 20.278 -12.062 -10.793 194 HA TYR 27 HA TYR 27 21.331 -13.537 -8.534 195 HB2 TYR 27 HB2 TYR 27 21.690 -10.812 -9.685 196 HB3 TYR 27 HB1 TYR 27 22.059 -11.041 -7.976 197 HD1 TYR 27 HD1 TYR 27 22.506 -13.096 -11.089 198 HD2 TYR 27 HD2 TYR 27 24.330 -11.407 -7.584 199 HE1 TYR 27 HE1 TYR 27 24.662 -14.160 -11.696 200 HE2 TYR 27 HE2 TYR 27 26.484 -12.472 -8.192 201 HH TYR 27 HH TYR 27 27.214 -14.485 -9.564 202 H PHE 28 HN PHE 28 19.007 -10.904 -9.059 203 HA PHE 28 HA PHE 28 18.379 -10.118 -6.526 204 HB2 PHE 28 HB2 PHE 28 17.219 -9.127 -8.366 205 HB3 PHE 28 HB1 PHE 28 16.527 -10.677 -8.844 206 HD1 PHE 28 HD1 PHE 28 16.729 -8.488 -5.799 207 HD2 PHE 28 HD2 PHE 28 14.329 -11.116 -8.207 208 HE1 PHE 28 HE1 PHE 28 14.790 -8.086 -4.308 209 HE2 PHE 28 HE2 PHE 28 12.393 -10.713 -6.716 210 HZ PHE 28 HZ PHE 28 12.622 -9.200 -4.766 211 H TYR 29 HN TYR 29 17.385 -13.121 -8.108 212 HA TYR 29 HA TYR 29 15.538 -14.063 -6.251 213 HB2 TYR 29 HB2 TYR 29 17.273 -15.245 -8.311 214 HB3 TYR 29 HB1 TYR 29 16.841 -16.352 -7.006 215 HD1 TYR 29 HD1 TYR 29 15.492 -14.125 -9.646 216 HD2 TYR 29 HD2 TYR 29 14.582 -17.123 -6.709 217 HE1 TYR 29 HE1 TYR 29 13.226 -14.391 -10.620 218 HE2 TYR 29 HE2 TYR 29 12.317 -17.390 -7.682 219 HH TYR 29 HH TYR 29 10.899 -16.721 -9.244 220 H GLU 30 HN GLU 30 19.073 -14.365 -6.250 221 HA GLU 30 HA GLU 30 19.202 -15.911 -3.854 222 HB2 GLU 30 HB2 GLU 30 21.127 -14.528 -5.633 223 HB3 GLU 30 HB1 GLU 30 21.644 -14.780 -3.965 224 HG2 GLU 30 HG2 GLU 30 20.471 -16.991 -5.662 225 HG3 GLU 30 HG1 GLU 30 22.202 -16.667 -5.583 226 H CYS 31 HN CYS 31 19.331 -12.460 -4.575 227 HA CYS 31 HA CYS 31 20.156 -11.543 -2.046 228 HB2 CYS 31 HB2 CYS 31 19.869 -10.273 -4.306 229 HB3 CYS 31 HB1 CYS 31 18.216 -10.010 -3.750 230 H CYS 32 HN CYS 32 16.969 -12.351 -3.334 231 HA CYS 32 HA CYS 32 15.518 -11.380 -1.058 232 HB2 CYS 32 HB2 CYS 32 14.910 -12.765 -3.577 233 HB3 CYS 32 HB1 CYS 32 13.866 -13.226 -2.232 234 H THR 33 HN THR 33 16.847 -14.496 -2.041 235 HA THR 33 HA THR 33 15.639 -15.924 0.158 236 HB THR 33 HB THR 33 16.993 -17.816 -0.634 237 HG1 THR 33 HG1 THR 33 18.593 -17.531 -2.016 238 HG21 THR 33 HG21 THR 33 15.429 -16.152 -2.583 239 HG22 THR 33 HG22 THR 33 15.018 -17.707 -1.859 240 HG23 THR 33 HG23 THR 33 16.223 -17.624 -3.144 241 H SER 34 HN SER 34 19.021 -15.168 -0.710 242 HA SER 34 HA SER 34 20.026 -15.890 1.869 243 HB2 SER 34 HB2 SER 34 21.119 -15.288 -0.659 244 HB3 SER 34 HB1 SER 34 21.778 -14.093 0.454 245 HG SER 34 HG SER 34 22.416 -16.664 0.198 246 H ASP 35 HN ASP 35 19.977 -14.733 3.675 247 HA ASP 35 HA ASP 35 19.041 -11.995 3.646 248 HB2 ASP 35 HB2 ASP 35 19.427 -14.116 5.640 249 HB3 ASP 35 HB1 ASP 35 19.809 -12.500 6.231 250 H SER 36 HN SER 36 22.059 -13.707 4.323 251 HA SER 36 HA SER 36 23.566 -11.589 5.349 252 HB2 SER 36 HB2 SER 36 24.301 -13.966 5.294 253 HB3 SER 36 HB1 SER 36 24.551 -13.820 3.556 254 HG SER 36 HG SER 36 26.007 -12.783 5.683 255 H THR 37 HN THR 37 22.463 -12.215 2.128 256 HA THR 37 HA THR 37 24.357 -10.376 0.898 257 HB THR 37 HB THR 37 21.926 -11.641 -0.372 258 HG1 THR 37 HG1 THR 37 23.757 -13.105 -1.100 259 HG21 THR 37 HG21 THR 37 23.639 -9.728 -1.320 260 HG22 THR 37 HG22 THR 37 22.758 -10.867 -2.339 261 HG23 THR 37 HG23 THR 37 24.425 -11.206 -1.873 262 H PHE 38 HN PHE 38 21.004 -10.437 1.946 263 HA PHE 38 HA PHE 38 20.135 -8.075 0.669 264 HB2 PHE 38 HB2 PHE 38 18.315 -9.166 1.506 265 HB3 PHE 38 HB1 PHE 38 19.195 -9.773 2.909 266 HD1 PHE 38 HD1 PHE 38 17.703 -6.680 1.444 267 HD2 PHE 38 HD2 PHE 38 19.061 -8.675 4.998 268 HE1 PHE 38 HE1 PHE 38 16.760 -4.853 2.831 269 HE2 PHE 38 HE2 PHE 38 18.118 -6.848 6.384 270 HZ PHE 38 HZ PHE 38 16.968 -4.937 5.301 271 H LYS 39 HN LYS 39 22.034 -8.633 3.530 272 HA LYS 39 HA LYS 39 21.705 -5.987 4.616 273 HB2 LYS 39 HB2 LYS 39 22.647 -8.381 5.599 274 HB3 LYS 39 HB1 LYS 39 24.127 -7.442 5.395 275 HG2 LYS 39 HG2 LYS 39 22.981 -5.542 6.607 276 HG3 LYS 39 HG1 LYS 39 21.665 -6.657 6.974 277 HD2 LYS 39 HD2 LYS 39 22.853 -7.270 8.793 278 HD3 LYS 39 HD1 LYS 39 23.960 -8.075 7.678 279 HE2 LYS 39 HE2 LYS 39 24.177 -5.244 8.737 280 HE3 LYS 39 HE1 LYS 39 25.268 -6.590 9.069 281 HZ1 LYS 39 HZ1 LYS 39 24.861 -6.015 6.265 282 HZ2 LYS 39 HZ2 LYS 39 26.296 -6.350 7.111 283 HZ3 LYS 39 HZ3 LYS 39 25.643 -4.781 7.129 284 H LYS 40 HN LYS 40 24.125 -7.638 2.630 285 HA LYS 40 HA LYS 40 25.886 -5.353 2.545 286 HB2 LYS 40 HB2 LYS 40 26.476 -7.878 2.251 287 HB3 LYS 40 HB1 LYS 40 25.962 -7.630 0.583 288 HG2 LYS 40 HG2 LYS 40 27.579 -5.809 0.323 289 HG3 LYS 40 HG1 LYS 40 28.069 -5.980 2.009 290 HD2 LYS 40 HD2 LYS 40 28.721 -8.357 1.507 291 HD3 LYS 40 HD1 LYS 40 28.402 -8.029 -0.198 292 HE2 LYS 40 HE2 LYS 40 30.585 -6.972 1.560 293 HE3 LYS 40 HE1 LYS 40 30.672 -7.556 -0.102 294 HZ1 LYS 40 HZ1 LYS 40 29.451 -5.004 0.799 295 HZ2 LYS 40 HZ2 LYS 40 29.446 -5.575 -0.801 296 HZ3 LYS 40 HZ3 LYS 40 30.913 -5.172 -0.044 297 H CYS 41 HN CYS 41 23.044 -6.282 0.929 298 HA CYS 41 HA CYS 41 23.630 -4.805 -1.509 299 HB2 CYS 41 HB2 CYS 41 21.596 -6.696 -0.603 300 HB3 CYS 41 HB1 CYS 41 20.916 -5.342 -1.504 301 H GLN 42 HN GLN 42 21.338 -4.546 1.214 302 HA GLN 42 HA GLN 42 20.144 -2.129 0.499 303 HB2 GLN 42 HB2 GLN 42 19.247 -2.088 2.635 304 HB3 GLN 42 HB1 GLN 42 19.616 -3.801 2.436 305 HG2 GLN 42 HG2 GLN 42 21.931 -3.176 3.461 306 HG3 GLN 42 HG1 GLN 42 21.105 -1.725 4.028 307 HE21 GLN 42 HE21 GLN 42 21.117 -2.346 6.282 308 HE22 GLN 42 HE22 GLN 42 20.201 -3.654 6.857 309 H ASP 43 HN ASP 43 23.283 -2.796 1.818 310 HA ASP 43 HA ASP 43 23.849 -0.267 2.952 311 HB2 ASP 43 HB2 ASP 43 25.159 -2.433 3.238 312 HB3 ASP 43 HB1 ASP 43 25.879 -2.093 1.665 313 H LEU 44 HN LEU 44 23.898 -1.460 -0.326 314 HA LEU 44 HA LEU 44 25.468 0.688 -1.401 315 HB2 LEU 44 HB2 LEU 44 24.076 -1.675 -2.418 316 HB3 LEU 44 HB1 LEU 44 23.959 -0.293 -3.506 317 HG LEU 44 HG LEU 44 26.561 -1.254 -2.293 318 HD11 LEU 44 HD11 LEU 44 26.609 -1.770 -5.026 319 HD12 LEU 44 HD12 LEU 44 24.990 -2.275 -4.540 320 HD13 LEU 44 HD13 LEU 44 26.405 -2.975 -3.754 321 HD21 LEU 44 HD21 LEU 44 27.424 0.608 -3.225 322 HD22 LEU 44 HD22 LEU 44 25.796 1.116 -3.673 323 HD23 LEU 44 HD23 LEU 44 26.761 0.156 -4.795 324 H LEU 45 HN LEU 45 22.011 0.005 -1.181 325 HA LEU 45 HA LEU 45 21.306 2.546 -2.412 326 HB2 LEU 45 HB2 LEU 45 19.430 0.571 -1.089 327 HB3 LEU 45 HB1 LEU 45 19.033 1.797 -2.289 328 HG LEU 45 HG LEU 45 19.110 -0.259 -3.487 329 HD11 LEU 45 HD11 LEU 45 20.791 0.156 -5.103 330 HD12 LEU 45 HD12 LEU 45 21.894 0.835 -3.905 331 HD13 LEU 45 HD13 LEU 45 20.463 1.738 -4.398 332 HD21 LEU 45 HD21 LEU 45 21.871 -1.039 -2.851 333 HD22 LEU 45 HD22 LEU 45 20.414 -2.023 -2.940 334 HD23 LEU 45 HD23 LEU 45 20.785 -1.140 -1.470 335 H HIS 46 HN HIS 46 20.716 0.972 0.729 336 HA HIS 46 HA HIS 46 21.136 3.498 2.083 337 HB2 HIS 46 HB2 HIS 46 18.667 3.367 1.247 338 HB3 HIS 46 HB1 HIS 46 18.469 2.209 2.563 339 HD1 HIS 46 HD1 HIS 46 18.258 3.140 4.897 340 HD2 HIS 46 HD2 HIS 46 19.601 6.003 2.180 341 HE1 HIS 46 HE1 HIS 46 18.287 5.347 6.139 Start of MODEL 11 1 HA ALA 1 HA ALA 1 11.300 -19.852 7.318 2 HB1 ALA 1 HB1 ALA 1 12.817 -17.513 7.098 3 HB2 ALA 1 HB2 ALA 1 14.004 -18.774 7.428 4 HB3 ALA 1 HB3 ALA 1 12.656 -18.521 8.536 5 H ASP 2 HN ASP 2 9.878 -18.350 6.416 6 HA ASP 2 HA ASP 2 10.252 -17.888 3.526 7 HB2 ASP 2 HB2 ASP 2 7.766 -17.501 3.549 8 HB3 ASP 2 HB1 ASP 2 8.256 -19.138 3.982 9 H ASN 3 HN ASN 3 11.212 -16.278 5.967 10 HA ASN 3 HA ASN 3 9.792 -13.754 5.595 11 HB2 ASN 3 HB2 ASN 3 12.122 -14.518 7.369 12 HB3 ASN 3 HB1 ASN 3 11.358 -12.929 7.346 13 HD21 ASN 3 HD21 ASN 3 11.424 -15.386 9.356 14 HD22 ASN 3 HD22 ASN 3 9.796 -15.510 9.819 15 H LYS 4 HN LYS 4 10.719 -14.230 3.208 16 HA LYS 4 HA LYS 4 13.427 -13.241 2.847 17 HB2 LYS 4 HB2 LYS 4 11.779 -13.402 0.445 18 HB3 LYS 4 HB1 LYS 4 13.295 -14.220 0.826 19 HG2 LYS 4 HG2 LYS 4 11.962 -15.780 2.316 20 HG3 LYS 4 HG1 LYS 4 10.501 -15.060 1.635 21 HD2 LYS 4 HD2 LYS 4 10.689 -16.640 0.024 22 HD3 LYS 4 HD1 LYS 4 11.983 -15.628 -0.619 23 HE2 LYS 4 HE2 LYS 4 13.591 -16.873 0.872 24 HE3 LYS 4 HE1 LYS 4 12.273 -17.972 1.279 25 HZ1 LYS 4 HZ1 LYS 4 12.655 -19.076 -0.583 26 HZ2 LYS 4 HZ2 LYS 4 13.939 -18.029 -0.962 27 HZ3 LYS 4 HZ3 LYS 4 12.367 -17.681 -1.505 28 H CYS 5 HN CYS 5 13.531 -11.609 0.839 29 HA CYS 5 HA CYS 5 12.566 -9.134 1.855 30 HB2 CYS 5 HB2 CYS 5 13.711 -8.118 0.063 31 HB3 CYS 5 HB1 CYS 5 14.650 -9.563 0.420 32 H GLU 6 HN GLU 6 10.431 -11.015 1.320 33 HA GLU 6 HA GLU 6 8.936 -9.524 -0.744 34 HB2 GLU 6 HB2 GLU 6 7.587 -11.575 -1.041 35 HB3 GLU 6 HB1 GLU 6 9.288 -11.840 -1.425 36 HG2 GLU 6 HG2 GLU 6 9.216 -13.571 0.020 37 HG3 GLU 6 HG1 GLU 6 9.140 -12.366 1.304 38 H ASN 7 HN ASN 7 9.307 -9.836 2.488 39 HA ASN 7 HA ASN 7 6.547 -10.022 3.310 40 HB2 ASN 7 HB2 ASN 7 9.135 -9.996 4.574 41 HB3 ASN 7 HB1 ASN 7 8.075 -8.828 5.361 42 HD21 ASN 7 HD21 ASN 7 5.697 -9.818 5.690 43 HD22 ASN 7 HD22 ASN 7 5.670 -11.401 6.302 44 H SER 8 HN SER 8 8.728 -7.490 2.358 45 HA SER 8 HA SER 8 6.558 -5.554 2.551 46 HB2 SER 8 HB2 SER 8 9.229 -4.895 3.786 47 HB3 SER 8 HB1 SER 8 7.733 -3.970 3.872 48 HG SER 8 HG SER 8 7.560 -5.048 5.692 49 H LEU 9 HN LEU 9 7.037 -3.567 1.377 50 HA LEU 9 HA LEU 9 8.342 -4.081 -1.090 51 HB2 LEU 9 HB2 LEU 9 7.551 -1.372 -0.028 52 HB3 LEU 9 HB1 LEU 9 7.701 -1.871 -1.713 53 HG LEU 9 HG LEU 9 5.686 -2.955 0.280 54 HD11 LEU 9 HD11 LEU 9 5.598 -0.867 -1.866 55 HD12 LEU 9 HD12 LEU 9 4.799 -0.891 -0.296 56 HD13 LEU 9 HD13 LEU 9 4.174 -1.874 -1.618 57 HD21 LEU 9 HD21 LEU 9 6.424 -3.664 -2.550 58 HD22 LEU 9 HD22 LEU 9 4.760 -3.873 -2.002 59 HD23 LEU 9 HD23 LEU 9 6.069 -4.735 -1.193 60 H ARG 10 HN ARG 10 9.254 -2.348 1.835 61 HA ARG 10 HA ARG 10 11.454 -0.909 1.011 62 HB2 ARG 10 HB2 ARG 10 10.969 -2.448 3.564 63 HB3 ARG 10 HB1 ARG 10 12.379 -1.410 3.328 64 HG2 ARG 10 HG2 ARG 10 10.953 0.522 2.929 65 HG3 ARG 10 HG1 ARG 10 9.509 -0.488 3.009 66 HD2 ARG 10 HD2 ARG 10 10.239 -1.123 5.366 67 HD3 ARG 10 HD1 ARG 10 11.431 0.168 5.249 68 HE ARG 10 HE ARG 10 8.637 0.495 5.732 69 HH11 ARG 10 HH21 ARG 10 11.370 1.847 4.096 70 HH12 ARG 10 HH22 ARG 10 10.766 3.470 4.135 71 HH21 ARG 10 HH11 ARG 10 7.838 2.621 5.788 72 HH22 ARG 10 HH12 ARG 10 8.766 3.907 5.093 73 H ARG 11 HN ARG 11 11.566 -4.244 2.292 74 HA ARG 11 HA ARG 11 14.266 -4.710 1.654 75 HB2 ARG 11 HB2 ARG 11 12.174 -6.870 1.687 76 HB3 ARG 11 HB1 ARG 11 13.860 -6.965 2.202 77 HG2 ARG 11 HG2 ARG 11 12.941 -4.976 3.825 78 HG3 ARG 11 HG1 ARG 11 11.491 -5.966 3.667 79 HD2 ARG 11 HD2 ARG 11 12.912 -7.978 4.244 80 HD3 ARG 11 HD1 ARG 11 14.224 -6.862 4.616 81 HE ARG 11 HE ARG 11 12.138 -5.923 6.112 82 HH11 ARG 11 HH21 ARG 11 13.667 -8.998 5.678 83 HH12 ARG 11 HH22 ARG 11 13.343 -9.542 7.289 84 HH21 ARG 11 HH11 ARG 11 11.711 -6.630 8.228 85 HH22 ARG 11 HH12 ARG 11 12.236 -8.201 8.733 86 H GLU 12 HN GLU 12 11.291 -5.518 -0.126 87 HA GLU 12 HA GLU 12 12.355 -6.890 -2.274 88 HB2 GLU 12 HB2 GLU 12 9.943 -6.577 -1.956 89 HB3 GLU 12 HB1 GLU 12 10.114 -4.862 -2.322 90 HG2 GLU 12 HG2 GLU 12 11.290 -6.634 -4.350 91 HG3 GLU 12 HG1 GLU 12 9.542 -6.794 -4.182 92 H ILE 13 HN ILE 13 12.247 -3.396 -1.735 93 HA ILE 13 HA ILE 13 13.286 -2.706 -4.313 94 HB ILE 13 HB ILE 13 13.181 -1.139 -1.730 95 HG12 ILE 13 HG12 ILE 13 11.440 -0.674 -4.135 96 HG13 ILE 13 HG11 ILE 13 11.038 -1.994 -3.040 97 HG21 ILE 13 HG21 ILE 13 13.370 0.814 -3.378 98 HG22 ILE 13 HG22 ILE 13 13.883 -0.378 -4.573 99 HG23 ILE 13 HG23 ILE 13 14.841 -0.124 -3.116 100 HD11 ILE 13 HD11 ILE 13 10.134 0.502 -2.647 101 HD12 ILE 13 HD12 ILE 13 11.676 0.646 -1.806 102 HD13 ILE 13 HD13 ILE 13 10.507 -0.577 -1.304 103 H ALA 14 HN ALA 14 14.682 -3.073 -1.071 104 HA ALA 14 HA ALA 14 17.266 -2.224 -1.528 105 HB1 ALA 14 HB1 ALA 14 17.904 -3.972 0.200 106 HB2 ALA 14 HB2 ALA 14 16.204 -4.394 0.210 107 HB3 ALA 14 HB3 ALA 14 16.685 -2.781 0.677 108 H CYS 15 HN CYS 15 16.506 -5.666 -1.399 109 HA CYS 15 HA CYS 15 18.751 -6.589 -2.743 110 HB2 CYS 15 HB2 CYS 15 16.042 -7.675 -2.208 111 HB3 CYS 15 HB1 CYS 15 17.003 -8.491 -3.445 112 H GLY 16 HN GLY 16 15.669 -5.443 -4.031 113 HA2 GLY 16 HA2 GLY 16 15.893 -6.240 -6.691 114 HA3 GLY 16 HA1 GLY 16 15.065 -4.778 -6.151 115 H GLN 17 HN GLN 17 16.347 -2.825 -5.880 116 HA GLN 17 HA GLN 17 17.779 -1.960 -7.981 117 HB2 GLN 17 HB2 GLN 17 18.183 -1.271 -5.083 118 HB3 GLN 17 HB1 GLN 17 18.987 -0.409 -6.397 119 HG2 GLN 17 HG2 GLN 17 16.121 -0.754 -6.867 120 HG3 GLN 17 HG1 GLN 17 16.459 0.160 -5.402 121 HE21 GLN 17 HE21 GLN 17 16.517 2.363 -5.845 122 HE22 GLN 17 HE22 GLN 17 17.137 3.056 -7.265 123 H CYS 18 HN CYS 18 19.093 -3.756 -5.230 124 HA CYS 18 HA CYS 18 21.806 -3.592 -5.815 125 HB2 CYS 18 HB2 CYS 18 20.263 -4.933 -3.954 126 HB3 CYS 18 HB1 CYS 18 21.014 -6.238 -4.853 127 H ARG 19 HN ARG 19 20.088 -6.644 -6.352 128 HA ARG 19 HA ARG 19 21.887 -7.465 -8.376 129 HB2 ARG 19 HB2 ARG 19 19.154 -8.533 -7.701 130 HB3 ARG 19 HB1 ARG 19 20.362 -9.365 -8.673 131 HG2 ARG 19 HG2 ARG 19 20.686 -8.531 -5.769 132 HG3 ARG 19 HG1 ARG 19 20.382 -10.174 -6.336 133 HD2 ARG 19 HD2 ARG 19 22.677 -10.270 -6.215 134 HD3 ARG 19 HD1 ARG 19 22.523 -9.650 -7.842 135 HE ARG 19 HE ARG 19 23.174 -7.511 -7.075 136 HH11 ARG 19 HH21 ARG 19 22.944 -9.880 -4.560 137 HH12 ARG 19 HH22 ARG 19 23.833 -8.950 -3.408 138 HH21 ARG 19 HH11 ARG 19 24.354 -6.282 -5.560 139 HH22 ARG 19 HH12 ARG 19 24.631 -6.913 -3.971 140 H ASP 20 HN ASP 20 19.904 -5.006 -8.607 141 HA ASP 20 HA ASP 20 18.997 -5.629 -11.350 142 HB2 ASP 20 HB2 ASP 20 17.283 -4.904 -9.645 143 HB3 ASP 20 HB1 ASP 20 18.090 -3.349 -9.633 144 H LYS 21 HN LYS 21 21.358 -3.982 -9.588 145 HA LYS 21 HA LYS 21 21.829 -2.085 -11.814 146 HB2 LYS 21 HB2 LYS 21 23.056 -0.713 -10.261 147 HB3 LYS 21 HB1 LYS 21 21.480 -1.079 -9.554 148 HG2 LYS 21 HG2 LYS 21 22.463 -2.053 -7.785 149 HG3 LYS 21 HG1 LYS 21 23.330 -3.143 -8.826 150 HD2 LYS 21 HD2 LYS 21 25.105 -1.515 -9.175 151 HD3 LYS 21 HD1 LYS 21 24.214 -0.326 -8.228 152 HE2 LYS 21 HE2 LYS 21 24.444 -2.743 -6.695 153 HE3 LYS 21 HE1 LYS 21 26.045 -2.282 -7.276 154 HZ1 LYS 21 HZ1 LYS 21 24.260 -0.246 -6.122 155 HZ2 LYS 21 HZ2 LYS 21 25.957 -0.267 -6.201 156 HZ3 LYS 21 HZ3 LYS 21 25.143 -1.267 -5.095 157 H VAL 22 HN VAL 22 22.948 -4.899 -10.252 158 HA VAL 22 HA VAL 22 25.542 -4.685 -11.655 159 HB VAL 22 HB VAL 22 26.126 -6.493 -9.853 160 HG11 VAL 22 HG11 VAL 22 26.122 -3.529 -9.736 161 HG12 VAL 22 HG12 VAL 22 27.489 -4.639 -9.717 162 HG13 VAL 22 HG13 VAL 22 26.540 -4.379 -8.253 163 HG21 VAL 22 HG21 VAL 22 24.838 -6.636 -7.993 164 HG22 VAL 22 HG22 VAL 22 23.589 -6.067 -9.072 165 HG23 VAL 22 HG23 VAL 22 24.439 -4.928 -8.035 166 H LYS 23 HN LYS 23 23.038 -6.943 -10.509 167 HA LYS 23 HA LYS 23 23.858 -8.825 -12.627 168 HB2 LYS 23 HB2 LYS 23 22.210 -9.325 -10.141 169 HB3 LYS 23 HB1 LYS 23 22.704 -10.544 -11.310 170 HG2 LYS 23 HG2 LYS 23 24.613 -8.818 -9.698 171 HG3 LYS 23 HG1 LYS 23 24.199 -10.489 -9.314 172 HD2 LYS 23 HD2 LYS 23 24.913 -10.800 -11.903 173 HD3 LYS 23 HD1 LYS 23 25.922 -9.417 -11.487 174 HE2 LYS 23 HE2 LYS 23 25.891 -12.160 -10.230 175 HE3 LYS 23 HE1 LYS 23 27.252 -11.299 -10.949 176 HZ1 LYS 23 HZ1 LYS 23 27.713 -10.446 -8.976 177 HZ2 LYS 23 HZ2 LYS 23 26.403 -11.279 -8.284 178 HZ3 LYS 23 HZ3 LYS 23 26.185 -9.713 -8.908 179 H THR 24 HN THR 24 21.044 -9.982 -11.734 180 HA THR 24 HA THR 24 19.326 -8.188 -13.285 181 HB THR 24 HB THR 24 20.200 -9.651 -15.001 182 HG1 THR 24 HG1 THR 24 18.045 -11.020 -15.098 183 HG21 THR 24 HG21 THR 24 19.205 -12.193 -14.148 184 HG22 THR 24 HG22 THR 24 20.233 -11.543 -12.870 185 HG23 THR 24 HG23 THR 24 20.871 -11.735 -14.503 186 H ASP 25 HN ASP 25 17.098 -9.682 -13.518 187 HA ASP 25 HA ASP 25 16.068 -9.717 -10.863 188 HB2 ASP 25 HB2 ASP 25 14.017 -9.982 -11.844 189 HB3 ASP 25 HB1 ASP 25 14.910 -9.420 -13.255 190 H GLY 26 HN GLY 26 17.574 -12.087 -12.877 191 HA2 GLY 26 HA2 GLY 26 16.506 -14.442 -11.709 192 HA3 GLY 26 HA1 GLY 26 18.027 -14.328 -12.589 193 H TYR 27 HN TYR 27 19.111 -12.270 -10.802 194 HA TYR 27 HA TYR 27 20.105 -14.054 -8.732 195 HB2 TYR 27 HB2 TYR 27 21.010 -11.627 -10.058 196 HB3 TYR 27 HB1 TYR 27 21.206 -11.534 -8.308 197 HD1 TYR 27 HD1 TYR 27 21.753 -13.901 -11.166 198 HD2 TYR 27 HD2 TYR 27 23.077 -12.529 -7.315 199 HE1 TYR 27 HE1 TYR 27 23.721 -15.403 -11.307 200 HE2 TYR 27 HE2 TYR 27 25.043 -14.032 -7.457 201 HH TYR 27 HH TYR 27 26.369 -15.118 -9.698 202 H PHE 28 HN PHE 28 18.149 -11.131 -9.002 203 HA PHE 28 HA PHE 28 17.967 -10.154 -6.489 204 HB2 PHE 28 HB2 PHE 28 16.479 -9.065 -7.839 205 HB3 PHE 28 HB1 PHE 28 15.969 -10.546 -8.650 206 HD1 PHE 28 HD2 PHE 28 14.278 -12.022 -7.646 207 HD2 PHE 28 HD1 PHE 28 15.449 -8.348 -5.754 208 HE1 PHE 28 HE2 PHE 28 12.289 -12.149 -6.169 209 HE2 PHE 28 HE1 PHE 28 13.461 -8.476 -4.277 210 HZ PHE 28 HZ PHE 28 11.881 -10.376 -4.485 211 H TYR 29 HN TYR 29 16.743 -13.255 -7.576 212 HA TYR 29 HA TYR 29 15.119 -13.883 -5.360 213 HB2 TYR 29 HB2 TYR 29 15.970 -15.172 -7.718 214 HB3 TYR 29 HB1 TYR 29 16.447 -16.225 -6.385 215 HD1 TYR 29 HD2 TYR 29 14.776 -17.146 -4.838 216 HD2 TYR 29 HD1 TYR 29 13.628 -14.676 -8.160 217 HE1 TYR 29 HE2 TYR 29 12.420 -17.872 -4.564 218 HE2 TYR 29 HE1 TYR 29 11.273 -15.402 -7.886 219 HH TYR 29 HH TYR 29 10.359 -18.045 -6.116 220 H GLU 30 HN GLU 30 18.489 -14.858 -6.043 221 HA GLU 30 HA GLU 30 19.019 -16.167 -3.654 222 HB2 GLU 30 HB2 GLU 30 20.699 -14.740 -5.664 223 HB3 GLU 30 HB1 GLU 30 21.435 -15.217 -4.137 224 HG2 GLU 30 HG2 GLU 30 19.775 -17.222 -5.610 225 HG3 GLU 30 HG1 GLU 30 21.406 -16.888 -6.190 226 H CYS 31 HN CYS 31 19.026 -12.728 -4.392 227 HA CYS 31 HA CYS 31 20.246 -11.904 -1.940 228 HB2 CYS 31 HB2 CYS 31 20.175 -10.528 -4.037 229 HB3 CYS 31 HB1 CYS 31 18.452 -10.288 -3.762 230 H CYS 32 HN CYS 32 16.949 -12.465 -3.004 231 HA CYS 32 HA CYS 32 15.629 -11.216 -0.845 232 HB2 CYS 32 HB2 CYS 32 14.742 -12.220 -3.133 233 HB3 CYS 32 HB1 CYS 32 14.439 -13.628 -2.118 234 H THR 33 HN THR 33 17.045 -14.387 -1.257 235 HA THR 33 HA THR 33 16.015 -15.273 1.349 236 HB THR 33 HB THR 33 16.052 -17.291 0.380 237 HG1 THR 33 HG1 THR 33 18.459 -17.664 -0.543 238 HG21 THR 33 HG21 THR 33 15.773 -16.034 -1.740 239 HG22 THR 33 HG22 THR 33 16.690 -17.523 -1.978 240 HG23 THR 33 HG23 THR 33 17.527 -15.978 -1.906 241 H SER 34 HN SER 34 19.151 -14.936 -0.324 242 HA SER 34 HA SER 34 20.833 -15.546 1.806 243 HB2 SER 34 HB2 SER 34 21.572 -15.173 -0.543 244 HB3 SER 34 HB1 SER 34 21.314 -13.445 -0.321 245 HG SER 34 HG SER 34 23.025 -13.343 0.952 246 H ASP 35 HN ASP 35 21.309 -14.575 3.675 247 HA ASP 35 HA ASP 35 19.998 -12.092 4.370 248 HB2 ASP 35 HB2 ASP 35 20.581 -14.268 5.825 249 HB3 ASP 35 HB1 ASP 35 22.013 -13.307 6.184 250 H SER 36 HN SER 36 23.390 -13.210 4.402 251 HA SER 36 HA SER 36 24.662 -10.854 5.009 252 HB2 SER 36 HB2 SER 36 26.105 -12.663 4.822 253 HB3 SER 36 HB1 SER 36 25.415 -13.188 3.290 254 HG SER 36 HG SER 36 27.002 -12.117 2.433 255 H THR 37 HN THR 37 22.939 -11.652 2.123 256 HA THR 37 HA THR 37 24.150 -9.591 0.495 257 HB THR 37 HB THR 37 21.538 -10.990 -0.062 258 HG1 THR 37 HG1 THR 37 24.162 -11.941 -0.078 259 HG21 THR 37 HG21 THR 37 22.390 -9.055 -1.479 260 HG22 THR 37 HG22 THR 37 22.093 -10.557 -2.351 261 HG23 THR 37 HG23 THR 37 23.740 -10.096 -1.932 262 H PHE 38 HN PHE 38 20.816 -10.095 1.679 263 HA PHE 38 HA PHE 38 19.846 -7.550 1.090 264 HB2 PHE 38 HB2 PHE 38 18.065 -8.790 1.736 265 HB3 PHE 38 HB1 PHE 38 19.036 -9.791 2.816 266 HD1 PHE 38 HD1 PHE 38 17.287 -6.531 2.491 267 HD2 PHE 38 HD2 PHE 38 19.228 -9.290 5.150 268 HE1 PHE 38 HE1 PHE 38 16.454 -5.241 4.439 269 HE2 PHE 38 HE2 PHE 38 18.394 -8.001 7.098 270 HZ PHE 38 HZ PHE 38 17.006 -5.976 6.742 271 H LYS 39 HN LYS 39 21.858 -8.643 3.719 272 HA LYS 39 HA LYS 39 21.447 -6.319 5.368 273 HB2 LYS 39 HB2 LYS 39 22.334 -8.775 5.941 274 HB3 LYS 39 HB1 LYS 39 23.891 -7.992 5.667 275 HG2 LYS 39 HG2 LYS 39 23.188 -6.180 7.259 276 HG3 LYS 39 HG1 LYS 39 21.739 -7.121 7.617 277 HD2 LYS 39 HD2 LYS 39 23.371 -9.062 8.140 278 HD3 LYS 39 HD1 LYS 39 24.617 -7.815 8.199 279 HE2 LYS 39 HE2 LYS 39 22.238 -8.195 9.994 280 HE3 LYS 39 HE1 LYS 39 23.920 -7.891 10.428 281 HZ1 LYS 39 HZ1 LYS 39 22.495 -5.941 10.751 282 HZ2 LYS 39 HZ2 LYS 39 22.130 -5.934 9.092 283 HZ3 LYS 39 HZ3 LYS 39 23.721 -5.651 9.617 284 H LYS 40 HN LYS 40 23.762 -7.339 2.926 285 HA LYS 40 HA LYS 40 25.495 -5.055 3.385 286 HB2 LYS 40 HB2 LYS 40 26.598 -7.059 2.690 287 HB3 LYS 40 HB1 LYS 40 25.487 -7.279 1.337 288 HG2 LYS 40 HG2 LYS 40 26.491 -5.634 0.061 289 HG3 LYS 40 HG1 LYS 40 27.034 -4.725 1.471 290 HD2 LYS 40 HD2 LYS 40 28.940 -5.793 0.316 291 HD3 LYS 40 HD1 LYS 40 28.733 -6.449 1.940 292 HE2 LYS 40 HE2 LYS 40 28.119 -8.509 1.172 293 HE3 LYS 40 HE1 LYS 40 27.222 -7.843 -0.194 294 HZ1 LYS 40 HZ1 LYS 40 29.558 -9.081 -0.440 295 HZ2 LYS 40 HZ2 LYS 40 30.102 -7.481 -0.263 296 HZ3 LYS 40 HZ3 LYS 40 29.025 -7.882 -1.514 297 H CYS 41 HN CYS 41 23.031 -6.068 1.079 298 HA CYS 41 HA CYS 41 23.424 -3.963 -0.787 299 HB2 CYS 41 HB2 CYS 41 21.178 -5.870 -0.204 300 HB3 CYS 41 HB1 CYS 41 20.953 -4.551 -1.353 301 H GLN 42 HN GLN 42 20.855 -4.406 1.655 302 HA GLN 42 HA GLN 42 19.534 -2.038 1.474 303 HB2 GLN 42 HB2 GLN 42 18.969 -2.270 3.835 304 HB3 GLN 42 HB1 GLN 42 18.949 -3.852 3.059 305 HG2 GLN 42 HG2 GLN 42 20.206 -4.351 4.937 306 HG3 GLN 42 HG1 GLN 42 21.491 -3.890 3.822 307 HE21 GLN 42 HE21 GLN 42 22.932 -3.003 5.411 308 HE22 GLN 42 HE22 GLN 42 22.551 -1.617 6.316 309 H ASP 43 HN ASP 43 22.619 -2.633 3.119 310 HA ASP 43 HA ASP 43 22.897 -0.025 4.221 311 HB2 ASP 43 HB2 ASP 43 24.368 -2.448 4.215 312 HB3 ASP 43 HB1 ASP 43 25.450 -1.185 3.631 313 H LEU 44 HN LEU 44 23.670 -1.443 1.106 314 HA LEU 44 HA LEU 44 25.232 0.814 0.210 315 HB2 LEU 44 HB2 LEU 44 24.167 -1.682 -1.083 316 HB3 LEU 44 HB1 LEU 44 24.844 -0.384 -2.067 317 HG LEU 44 HG LEU 44 26.405 -1.299 0.312 318 HD11 LEU 44 HD11 LEU 44 26.035 -2.837 -2.261 319 HD12 LEU 44 HD12 LEU 44 25.935 -3.438 -0.610 320 HD13 LEU 44 HD13 LEU 44 27.498 -2.993 -1.289 321 HD21 LEU 44 HD21 LEU 44 27.078 0.621 -1.175 322 HD22 LEU 44 HD22 LEU 44 27.214 -0.522 -2.506 323 HD23 LEU 44 HD23 LEU 44 28.275 -0.669 -1.105 324 H LEU 45 HN LEU 45 21.984 -0.476 -0.509 325 HA LEU 45 HA LEU 45 21.207 1.498 -2.301 326 HB2 LEU 45 HB2 LEU 45 19.919 -0.604 -0.749 327 HB3 LEU 45 HB1 LEU 45 18.883 0.817 -0.890 328 HG LEU 45 HG LEU 45 18.507 -0.720 -2.775 329 HD11 LEU 45 HD11 LEU 45 19.948 1.347 -4.252 330 HD12 LEU 45 HD12 LEU 45 18.988 2.006 -2.924 331 HD13 LEU 45 HD13 LEU 45 18.218 1.033 -4.171 332 HD21 LEU 45 HD21 LEU 45 20.829 -0.422 -4.320 333 HD22 LEU 45 HD22 LEU 45 20.273 -1.899 -3.514 334 HD23 LEU 45 HD23 LEU 45 21.412 -0.832 -2.710 335 H HIS 46 HN HIS 46 20.779 1.350 1.214 336 HA HIS 46 HA HIS 46 20.050 2.986 2.702 337 HB2 HIS 46 HB2 HIS 46 22.317 3.665 2.589 338 HB3 HIS 46 HB1 HIS 46 22.110 4.368 0.985 339 HD1 HIS 46 HD1 HIS 46 22.668 6.787 1.577 340 HD2 HIS 46 HD2 HIS 46 19.665 5.190 3.988 341 HE1 HIS 46 HE1 HIS 46 21.708 8.721 2.901 Start of MODEL 12 1 HA ALA 1 HA ALA 1 10.335 -20.071 7.326 2 HB1 ALA 1 HB1 ALA 1 12.343 -19.212 7.990 3 HB2 ALA 1 HB2 ALA 1 13.017 -19.263 6.360 4 HB3 ALA 1 HB3 ALA 1 12.976 -20.726 7.345 5 H ASP 2 HN ASP 2 10.477 -17.693 6.719 6 HA ASP 2 HA ASP 2 10.573 -17.171 3.845 7 HB2 ASP 2 HB2 ASP 2 8.332 -16.259 3.745 8 HB3 ASP 2 HB1 ASP 2 8.242 -17.924 4.316 9 H ASN 3 HN ASN 3 8.778 -14.760 4.713 10 HA ASN 3 HA ASN 3 9.164 -12.551 5.218 11 HB2 ASN 3 HB2 ASN 3 9.366 -13.669 7.496 12 HB3 ASN 3 HB1 ASN 3 11.113 -13.588 7.275 13 HD21 ASN 3 HD21 ASN 3 12.093 -11.400 7.105 14 HD22 ASN 3 HD22 ASN 3 11.270 -10.053 7.729 15 H LYS 4 HN LYS 4 10.271 -12.528 3.065 16 HA LYS 4 HA LYS 4 13.077 -11.682 3.413 17 HB2 LYS 4 HB2 LYS 4 13.443 -12.683 1.073 18 HB3 LYS 4 HB1 LYS 4 13.333 -13.805 2.423 19 HG2 LYS 4 HG2 LYS 4 10.999 -14.269 1.923 20 HG3 LYS 4 HG1 LYS 4 10.996 -13.056 0.645 21 HD2 LYS 4 HD2 LYS 4 12.445 -14.333 -0.730 22 HD3 LYS 4 HD1 LYS 4 12.923 -15.379 0.609 23 HE2 LYS 4 HE2 LYS 4 10.023 -15.280 -0.085 24 HE3 LYS 4 HE1 LYS 4 11.093 -16.148 -1.187 25 HZ1 LYS 4 HZ1 LYS 4 10.155 -17.536 0.620 26 HZ2 LYS 4 HZ2 LYS 4 11.015 -16.596 1.745 27 HZ3 LYS 4 HZ3 LYS 4 11.851 -17.517 0.588 28 H CYS 5 HN CYS 5 12.239 -11.732 0.196 29 HA CYS 5 HA CYS 5 12.054 -8.860 0.068 30 HB2 CYS 5 HB2 CYS 5 11.952 -11.047 -2.012 31 HB3 CYS 5 HB1 CYS 5 11.802 -9.337 -2.413 32 H GLU 6 HN GLU 6 9.866 -10.646 1.275 33 HA GLU 6 HA GLU 6 7.622 -9.378 -0.169 34 HB2 GLU 6 HB2 GLU 6 6.267 -11.412 0.378 35 HB3 GLU 6 HB1 GLU 6 7.565 -11.713 -0.778 36 HG2 GLU 6 HG2 GLU 6 8.377 -13.303 0.585 37 HG3 GLU 6 HG1 GLU 6 8.672 -12.075 1.814 38 H ASN 7 HN ASN 7 9.336 -9.368 2.572 39 HA ASN 7 HA ASN 7 7.204 -9.426 4.524 40 HB2 ASN 7 HB2 ASN 7 9.537 -10.071 5.085 41 HB3 ASN 7 HB1 ASN 7 10.039 -8.405 4.800 42 HD21 ASN 7 HD21 ASN 7 7.140 -9.734 6.490 43 HD22 ASN 7 HD22 ASN 7 7.439 -8.913 7.945 44 H SER 8 HN SER 8 9.282 -6.905 3.094 45 HA SER 8 HA SER 8 7.123 -4.967 3.507 46 HB2 SER 8 HB2 SER 8 9.274 -5.086 5.266 47 HB3 SER 8 HB1 SER 8 9.714 -3.799 4.147 48 HG SER 8 HG SER 8 7.092 -3.918 5.131 49 H LEU 9 HN LEU 9 7.371 -3.047 2.209 50 HA LEU 9 HA LEU 9 8.227 -3.555 -0.406 51 HB2 LEU 9 HB2 LEU 9 7.057 -1.344 1.066 52 HB3 LEU 9 HB1 LEU 9 8.255 -0.763 -0.090 53 HG LEU 9 HG LEU 9 5.981 -0.918 -1.086 54 HD11 LEU 9 HD11 LEU 9 7.157 -3.036 -2.649 55 HD12 LEU 9 HD12 LEU 9 8.416 -1.918 -2.124 56 HD13 LEU 9 HD13 LEU 9 7.029 -1.320 -3.031 57 HD21 LEU 9 HD21 LEU 9 4.684 -2.762 -0.867 58 HD22 LEU 9 HD22 LEU 9 5.830 -3.277 0.370 59 HD23 LEU 9 HD23 LEU 9 6.013 -3.842 -1.290 60 H ARG 10 HN ARG 10 9.827 -1.892 2.270 61 HA ARG 10 HA ARG 10 12.013 -0.818 0.921 62 HB2 ARG 10 HB2 ARG 10 11.945 -2.025 3.696 63 HB3 ARG 10 HB1 ARG 10 13.178 -0.922 3.083 64 HG2 ARG 10 HG2 ARG 10 11.427 0.795 2.693 65 HG3 ARG 10 HG1 ARG 10 10.223 -0.303 3.367 66 HD2 ARG 10 HD2 ARG 10 10.879 1.174 5.142 67 HD3 ARG 10 HD1 ARG 10 11.625 -0.386 5.474 68 HE ARG 10 HE ARG 10 13.686 0.636 5.235 69 HH11 ARG 10 HH21 ARG 10 11.220 2.487 3.662 70 HH12 ARG 10 HH22 ARG 10 12.274 3.797 3.251 71 HH21 ARG 10 HH11 ARG 10 15.074 2.353 4.699 72 HH22 ARG 10 HH12 ARG 10 14.456 3.722 3.838 73 H ARG 11 HN ARG 11 11.656 -4.045 2.382 74 HA ARG 11 HA ARG 11 14.209 -5.026 1.805 75 HB2 ARG 11 HB2 ARG 11 11.643 -6.627 1.795 76 HB3 ARG 11 HB1 ARG 11 13.271 -7.230 2.107 77 HG2 ARG 11 HG2 ARG 11 12.831 -5.045 3.877 78 HG3 ARG 11 HG1 ARG 11 11.409 -6.085 3.968 79 HD2 ARG 11 HD2 ARG 11 12.816 -8.029 4.413 80 HD3 ARG 11 HD1 ARG 11 14.271 -7.055 4.214 81 HE ARG 11 HE ARG 11 12.767 -5.823 6.206 82 HH11 ARG 11 HH21 ARG 11 14.278 -8.875 5.598 83 HH12 ARG 11 HH22 ARG 11 14.606 -9.202 7.267 84 HH21 ARG 11 HH11 ARG 11 13.194 -6.243 8.397 85 HH22 ARG 11 HH12 ARG 11 13.992 -7.712 8.852 86 H GLU 12 HN GLU 12 11.203 -5.424 -0.086 87 HA GLU 12 HA GLU 12 12.279 -6.808 -2.248 88 HB2 GLU 12 HB2 GLU 12 9.865 -6.475 -1.934 89 HB3 GLU 12 HB1 GLU 12 10.052 -4.752 -2.259 90 HG2 GLU 12 HG2 GLU 12 10.451 -5.079 -4.519 91 HG3 GLU 12 HG1 GLU 12 11.094 -6.703 -4.276 92 H ILE 13 HN ILE 13 12.079 -3.306 -1.701 93 HA ILE 13 HA ILE 13 13.174 -2.562 -4.214 94 HB ILE 13 HB ILE 13 13.118 -1.081 -1.578 95 HG12 ILE 13 HG12 ILE 13 11.363 -0.563 -3.967 96 HG13 ILE 13 HG11 ILE 13 10.941 -1.848 -2.835 97 HG21 ILE 13 HG21 ILE 13 13.314 0.918 -3.171 98 HG22 ILE 13 HG22 ILE 13 13.816 -0.244 -4.398 99 HG23 ILE 13 HG23 ILE 13 14.778 -0.035 -2.935 100 HD11 ILE 13 HD11 ILE 13 10.062 0.623 -2.458 101 HD12 ILE 13 HD12 ILE 13 11.655 0.847 -1.739 102 HD13 ILE 13 HD13 ILE 13 10.556 -0.369 -1.088 103 H ALA 14 HN ALA 14 14.596 -2.929 -0.984 104 HA ALA 14 HA ALA 14 17.177 -2.161 -1.427 105 HB1 ALA 14 HB1 ALA 14 17.832 -3.737 0.299 106 HB2 ALA 14 HB2 ALA 14 16.308 -4.580 0.100 107 HB3 ALA 14 HB3 ALA 14 16.318 -2.943 0.733 108 H CYS 15 HN CYS 15 16.425 -5.598 -1.388 109 HA CYS 15 HA CYS 15 18.632 -6.438 -2.853 110 HB2 CYS 15 HB2 CYS 15 16.203 -7.620 -1.842 111 HB3 CYS 15 HB1 CYS 15 16.562 -8.259 -3.454 112 H GLY 16 HN GLY 16 15.538 -5.214 -3.932 113 HA2 GLY 16 HA2 GLY 16 15.607 -6.031 -6.618 114 HA3 GLY 16 HA1 GLY 16 14.778 -4.598 -6.012 115 H GLN 17 HN GLN 17 15.917 -2.599 -5.919 116 HA GLN 17 HA GLN 17 17.319 -1.760 -8.066 117 HB2 GLN 17 HB2 GLN 17 17.695 -0.867 -5.214 118 HB3 GLN 17 HB1 GLN 17 18.335 -0.000 -6.610 119 HG2 GLN 17 HG2 GLN 17 15.512 -0.705 -6.912 120 HG3 GLN 17 HG1 GLN 17 15.802 0.338 -5.521 121 HE21 GLN 17 HE21 GLN 17 16.312 0.118 -9.062 122 HE22 GLN 17 HE22 GLN 17 16.464 1.792 -9.297 123 H CYS 18 HN CYS 18 18.695 -3.271 -5.172 124 HA CYS 18 HA CYS 18 21.398 -3.041 -5.658 125 HB2 CYS 18 HB2 CYS 18 20.299 -4.113 -3.644 126 HB3 CYS 18 HB1 CYS 18 20.098 -5.564 -4.605 127 H ARG 19 HN ARG 19 19.951 -6.223 -6.199 128 HA ARG 19 HA ARG 19 21.840 -6.790 -8.278 129 HB2 ARG 19 HB2 ARG 19 19.413 -8.369 -7.440 130 HB3 ARG 19 HB1 ARG 19 20.810 -8.970 -8.343 131 HG2 ARG 19 HG2 ARG 19 20.901 -7.829 -5.530 132 HG3 ARG 19 HG1 ARG 19 20.941 -9.546 -5.924 133 HD2 ARG 19 HD2 ARG 19 23.204 -9.160 -5.797 134 HD3 ARG 19 HD1 ARG 19 22.959 -8.756 -7.489 135 HE ARG 19 HE ARG 19 22.630 -6.359 -6.448 136 HH11 ARG 19 HH21 ARG 19 24.917 -8.833 -5.592 137 HH12 ARG 19 HH22 ARG 19 26.113 -7.713 -5.035 138 HH21 ARG 19 HH11 ARG 19 24.205 -4.906 -5.725 139 HH22 ARG 19 HH12 ARG 19 25.713 -5.498 -5.113 140 H ASP 20 HN ASP 20 19.606 -4.679 -8.593 141 HA ASP 20 HA ASP 20 18.528 -5.717 -11.149 142 HB2 ASP 20 HB2 ASP 20 16.791 -5.186 -9.484 143 HB3 ASP 20 HB1 ASP 20 17.411 -3.548 -9.388 144 H LYS 21 HN LYS 21 20.731 -3.572 -9.749 145 HA LYS 21 HA LYS 21 20.717 -1.868 -12.176 146 HB2 LYS 21 HB2 LYS 21 21.724 -0.120 -10.893 147 HB3 LYS 21 HB1 LYS 21 20.363 -0.720 -9.942 148 HG2 LYS 21 HG2 LYS 21 21.988 -2.218 -8.751 149 HG3 LYS 21 HG1 LYS 21 23.297 -1.363 -9.553 150 HD2 LYS 21 HD2 LYS 21 21.974 0.750 -8.602 151 HD3 LYS 21 HD1 LYS 21 21.447 -0.436 -7.408 152 HE2 LYS 21 HE2 LYS 21 23.803 -1.034 -6.965 153 HE3 LYS 21 HE1 LYS 21 24.326 0.179 -8.134 154 HZ1 LYS 21 HZ1 LYS 21 24.237 1.661 -6.514 155 HZ2 LYS 21 HZ2 LYS 21 23.595 0.521 -5.430 156 HZ3 LYS 21 HZ3 LYS 21 22.558 1.437 -6.417 157 H VAL 22 HN VAL 22 22.548 -4.053 -10.155 158 HA VAL 22 HA VAL 22 24.932 -3.622 -11.848 159 HB VAL 22 HB VAL 22 25.770 -5.289 -9.917 160 HG11 VAL 22 HG11 VAL 22 26.322 -3.069 -8.639 161 HG12 VAL 22 HG12 VAL 22 25.573 -2.296 -10.035 162 HG13 VAL 22 HG13 VAL 22 26.997 -3.315 -10.251 163 HG21 VAL 22 HG21 VAL 22 24.740 -4.917 -7.846 164 HG22 VAL 22 HG22 VAL 22 23.406 -5.147 -8.968 165 HG23 VAL 22 HG23 VAL 22 23.851 -3.523 -8.455 166 H LYS 23 HN LYS 23 23.560 -6.431 -10.119 167 HA LYS 23 HA LYS 23 24.429 -8.216 -12.209 168 HB2 LYS 23 HB2 LYS 23 22.685 -8.860 -9.832 169 HB3 LYS 23 HB1 LYS 23 23.666 -9.980 -10.779 170 HG2 LYS 23 HG2 LYS 23 24.706 -7.718 -9.045 171 HG3 LYS 23 HG1 LYS 23 24.825 -9.442 -8.692 172 HD2 LYS 23 HD2 LYS 23 25.995 -9.546 -11.049 173 HD3 LYS 23 HD1 LYS 23 26.288 -7.832 -10.755 174 HE2 LYS 23 HE2 LYS 23 27.097 -10.127 -8.948 175 HE3 LYS 23 HE1 LYS 23 28.180 -9.122 -9.912 176 HZ1 LYS 23 HZ1 LYS 23 26.432 -7.608 -8.209 177 HZ2 LYS 23 HZ2 LYS 23 28.116 -7.498 -8.410 178 HZ3 LYS 23 HZ3 LYS 23 27.458 -8.645 -7.344 179 H THR 24 HN THR 24 21.839 -9.787 -11.381 180 HA THR 24 HA THR 24 19.912 -8.408 -13.109 181 HB THR 24 HB THR 24 21.217 -9.845 -14.619 182 HG1 THR 24 HG1 THR 24 18.792 -9.634 -14.623 183 HG21 THR 24 HG21 THR 24 20.210 -12.201 -13.023 184 HG22 THR 24 HG22 THR 24 21.791 -11.479 -12.722 185 HG23 THR 24 HG23 THR 24 21.429 -12.186 -14.297 186 H ASP 25 HN ASP 25 18.185 -10.654 -13.361 187 HA ASP 25 HA ASP 25 16.820 -10.502 -10.867 188 HB2 ASP 25 HB2 ASP 25 16.267 -12.542 -13.008 189 HB3 ASP 25 HB1 ASP 25 15.133 -11.800 -11.880 190 H GLY 26 HN GLY 26 18.721 -13.038 -12.466 191 HA2 GLY 26 HA2 GLY 26 18.294 -15.196 -10.821 192 HA3 GLY 26 HA1 GLY 26 19.853 -14.839 -11.560 193 H TYR 27 HN TYR 27 20.550 -12.499 -10.273 194 HA TYR 27 HA TYR 27 21.529 -13.496 -7.791 195 HB2 TYR 27 HB2 TYR 27 21.770 -10.992 -9.347 196 HB3 TYR 27 HB1 TYR 27 22.010 -10.856 -7.606 197 HD1 TYR 27 HD2 TYR 27 23.819 -12.070 -6.473 198 HD2 TYR 27 HD1 TYR 27 23.290 -12.304 -10.730 199 HE1 TYR 27 HE2 TYR 27 26.089 -13.044 -6.702 200 HE2 TYR 27 HE1 TYR 27 25.560 -13.277 -10.958 201 HH TYR 27 HH TYR 27 27.295 -14.516 -8.377 202 H PHE 28 HN PHE 28 19.075 -11.071 -8.656 203 HA PHE 28 HA PHE 28 18.388 -10.103 -6.167 204 HB2 PHE 28 HB2 PHE 28 17.299 -9.162 -8.055 205 HB3 PHE 28 HB1 PHE 28 16.676 -10.727 -8.565 206 HD1 PHE 28 HD1 PHE 28 16.477 -8.207 -5.822 207 HD2 PHE 28 HD2 PHE 28 14.591 -11.519 -7.803 208 HE1 PHE 28 HE1 PHE 28 14.421 -7.839 -4.483 209 HE2 PHE 28 HE2 PHE 28 12.537 -11.152 -6.465 210 HZ PHE 28 HZ PHE 28 12.451 -9.311 -4.805 211 H TYR 29 HN TYR 29 17.291 -13.115 -7.694 212 HA TYR 29 HA TYR 29 15.530 -13.868 -5.592 213 HB2 TYR 29 HB2 TYR 29 16.001 -14.801 -8.108 214 HB3 TYR 29 HB1 TYR 29 16.800 -16.037 -7.138 215 HD1 TYR 29 HD2 TYR 29 15.424 -16.813 -4.989 216 HD2 TYR 29 HD1 TYR 29 13.706 -15.021 -8.497 217 HE1 TYR 29 HE2 TYR 29 13.221 -17.792 -4.412 218 HE2 TYR 29 HE1 TYR 29 11.504 -16.002 -7.918 219 HH TYR 29 HH TYR 29 10.967 -17.636 -4.856 220 H GLU 30 HN GLU 30 18.895 -14.720 -6.359 221 HA GLU 30 HA GLU 30 19.309 -16.527 -4.252 222 HB2 GLU 30 HB2 GLU 30 21.003 -14.967 -6.087 223 HB3 GLU 30 HB1 GLU 30 21.766 -15.385 -4.558 224 HG2 GLU 30 HG2 GLU 30 22.090 -17.121 -6.340 225 HG3 GLU 30 HG1 GLU 30 21.293 -17.736 -4.892 226 H CYS 31 HN CYS 31 19.587 -12.979 -4.356 227 HA CYS 31 HA CYS 31 20.685 -12.763 -1.741 228 HB2 CYS 31 HB2 CYS 31 20.602 -10.473 -2.108 229 HB3 CYS 31 HB1 CYS 31 20.729 -11.095 -3.741 230 H CYS 32 HN CYS 32 17.426 -12.410 -3.105 231 HA CYS 32 HA CYS 32 16.048 -11.546 -0.871 232 HB2 CYS 32 HB2 CYS 32 15.284 -13.351 -3.153 233 HB3 CYS 32 HB1 CYS 32 14.138 -12.984 -1.865 234 H THR 33 HN THR 33 17.155 -14.791 -1.684 235 HA THR 33 HA THR 33 15.846 -15.997 0.600 236 HB THR 33 HB THR 33 16.935 -18.054 -0.127 237 HG1 THR 33 HG1 THR 33 18.776 -16.470 -0.965 238 HG21 THR 33 HG21 THR 33 15.626 -16.308 -2.195 239 HG22 THR 33 HG22 THR 33 15.002 -17.751 -1.398 240 HG23 THR 33 HG23 THR 33 16.230 -17.899 -2.655 241 H SER 34 HN SER 34 19.185 -15.216 -0.352 242 HA SER 34 HA SER 34 20.313 -16.106 2.134 243 HB2 SER 34 HB2 SER 34 22.370 -15.475 1.243 244 HB3 SER 34 HB1 SER 34 21.438 -15.824 -0.210 245 HG SER 34 HG SER 34 21.973 -13.304 0.978 246 H ASP 35 HN ASP 35 21.066 -14.868 3.855 247 HA ASP 35 HA ASP 35 19.680 -12.323 4.221 248 HB2 ASP 35 HB2 ASP 35 20.518 -14.461 5.924 249 HB3 ASP 35 HB1 ASP 35 21.284 -12.971 6.474 250 H SER 36 HN SER 36 23.004 -13.553 4.678 251 HA SER 36 HA SER 36 24.373 -11.275 5.239 252 HB2 SER 36 HB2 SER 36 25.165 -13.748 4.637 253 HB3 SER 36 HB1 SER 36 25.554 -12.980 3.100 254 HG SER 36 HG SER 36 27.320 -12.627 4.311 255 H THR 37 HN THR 37 23.429 -12.337 1.974 256 HA THR 37 HA THR 37 24.565 -10.148 0.594 257 HB THR 37 HB THR 37 22.084 -11.566 -0.326 258 HG1 THR 37 HG1 THR 37 23.291 -13.311 -0.838 259 HG21 THR 37 HG21 THR 37 23.110 -9.733 -1.683 260 HG22 THR 37 HG22 THR 37 23.111 -11.292 -2.512 261 HG23 THR 37 HG23 THR 37 24.593 -10.683 -1.773 262 H PHE 38 HN PHE 38 21.172 -10.758 1.531 263 HA PHE 38 HA PHE 38 20.039 -8.382 0.703 264 HB2 PHE 38 HB2 PHE 38 18.400 -9.747 1.507 265 HB3 PHE 38 HB1 PHE 38 19.414 -10.375 2.807 266 HD1 PHE 38 HD1 PHE 38 17.491 -7.367 1.712 267 HD2 PHE 38 HD2 PHE 38 19.285 -9.480 4.994 268 HE1 PHE 38 HE1 PHE 38 16.425 -5.796 3.307 269 HE2 PHE 38 HE2 PHE 38 18.219 -7.907 6.589 270 HZ PHE 38 HZ PHE 38 16.789 -6.066 5.745 271 H LYS 39 HN LYS 39 22.195 -8.950 3.364 272 HA LYS 39 HA LYS 39 21.613 -6.429 4.676 273 HB2 LYS 39 HB2 LYS 39 22.284 -8.219 6.111 274 HB3 LYS 39 HB1 LYS 39 23.709 -8.557 5.131 275 HG2 LYS 39 HG2 LYS 39 24.838 -6.648 5.869 276 HG3 LYS 39 HG1 LYS 39 23.346 -5.831 6.341 277 HD2 LYS 39 HD2 LYS 39 23.059 -7.308 8.236 278 HD3 LYS 39 HD1 LYS 39 24.413 -8.313 7.715 279 HE2 LYS 39 HE2 LYS 39 25.169 -6.830 9.493 280 HE3 LYS 39 HE1 LYS 39 25.922 -6.338 7.976 281 HZ1 LYS 39 HZ1 LYS 39 24.172 -4.666 7.720 282 HZ2 LYS 39 HZ2 LYS 39 25.075 -4.423 9.139 283 HZ3 LYS 39 HZ3 LYS 39 23.523 -5.110 9.223 284 H LYS 40 HN LYS 40 23.971 -7.728 2.423 285 HA LYS 40 HA LYS 40 25.658 -5.366 2.551 286 HB2 LYS 40 HB2 LYS 40 26.681 -7.553 2.141 287 HB3 LYS 40 HB1 LYS 40 25.700 -7.753 0.688 288 HG2 LYS 40 HG2 LYS 40 26.897 -6.169 -0.508 289 HG3 LYS 40 HG1 LYS 40 27.384 -5.290 0.943 290 HD2 LYS 40 HD2 LYS 40 28.973 -7.021 1.535 291 HD3 LYS 40 HD1 LYS 40 28.400 -8.055 0.226 292 HE2 LYS 40 HE2 LYS 40 29.798 -7.056 -1.225 293 HE3 LYS 40 HE1 LYS 40 29.109 -5.478 -0.843 294 HZ1 LYS 40 HZ1 LYS 40 31.212 -5.149 -0.109 295 HZ2 LYS 40 HZ2 LYS 40 31.480 -6.789 0.248 296 HZ3 LYS 40 HZ3 LYS 40 30.568 -5.823 1.308 297 H CYS 41 HN CYS 41 22.855 -6.356 0.877 298 HA CYS 41 HA CYS 41 23.299 -4.639 -1.425 299 HB2 CYS 41 HB2 CYS 41 21.259 -6.608 -0.572 300 HB3 CYS 41 HB1 CYS 41 20.672 -5.273 -1.565 301 H GLN 42 HN GLN 42 20.978 -4.745 1.292 302 HA GLN 42 HA GLN 42 19.678 -2.339 0.844 303 HB2 GLN 42 HB2 GLN 42 19.192 -2.330 3.263 304 HB3 GLN 42 HB1 GLN 42 18.964 -3.932 2.562 305 HG2 GLN 42 HG2 GLN 42 21.240 -4.565 3.324 306 HG3 GLN 42 HG1 GLN 42 21.412 -2.983 4.081 307 HE21 GLN 42 HE21 GLN 42 18.178 -3.868 4.338 308 HE22 GLN 42 HE22 GLN 42 18.223 -4.550 5.892 309 H ASP 43 HN ASP 43 22.877 -2.942 2.076 310 HA ASP 43 HA ASP 43 23.377 -0.477 3.346 311 HB2 ASP 43 HB2 ASP 43 24.835 -2.810 2.733 312 HB3 ASP 43 HB1 ASP 43 25.729 -1.472 2.011 313 H LEU 44 HN LEU 44 23.369 -1.426 -0.019 314 HA LEU 44 HA LEU 44 24.750 0.919 -0.954 315 HB2 LEU 44 HB2 LEU 44 23.557 -1.481 -2.132 316 HB3 LEU 44 HB1 LEU 44 23.329 -0.037 -3.117 317 HG LEU 44 HG LEU 44 26.014 -0.790 -1.950 318 HD11 LEU 44 HD11 LEU 44 24.923 -1.451 -4.702 319 HD12 LEU 44 HD12 LEU 44 25.180 -2.622 -3.409 320 HD13 LEU 44 HD13 LEU 44 26.556 -1.783 -4.126 321 HD21 LEU 44 HD21 LEU 44 25.067 1.516 -3.195 322 HD22 LEU 44 HD22 LEU 44 25.874 0.644 -4.498 323 HD23 LEU 44 HD23 LEU 44 26.761 1.055 -3.030 324 H LEU 45 HN LEU 45 21.360 -0.091 -0.718 325 HA LEU 45 HA LEU 45 20.445 2.478 -1.764 326 HB2 LEU 45 HB2 LEU 45 18.763 0.227 -0.657 327 HB3 LEU 45 HB1 LEU 45 18.253 1.524 -1.728 328 HG LEU 45 HG LEU 45 18.499 -0.370 -3.122 329 HD11 LEU 45 HD11 LEU 45 19.685 1.766 -3.864 330 HD12 LEU 45 HD12 LEU 45 20.187 0.277 -4.664 331 HD13 LEU 45 HD13 LEU 45 21.187 0.977 -3.393 332 HD21 LEU 45 HD21 LEU 45 19.981 -2.058 -2.832 333 HD22 LEU 45 HD22 LEU 45 20.153 -1.408 -1.218 334 HD23 LEU 45 HD23 LEU 45 21.306 -0.979 -2.466 335 H HIS 46 HN HIS 46 19.495 0.586 1.116 336 HA HIS 46 HA HIS 46 20.019 2.835 2.851 337 HB2 HIS 46 HB2 HIS 46 17.637 2.915 3.648 338 HB3 HIS 46 HB1 HIS 46 17.888 3.564 2.029 339 HD1 HIS 46 HD1 HIS 46 17.164 0.097 3.472 340 HD2 HIS 46 HD2 HIS 46 15.976 2.556 0.323 341 HE1 HIS 46 HE1 HIS 46 15.406 -1.191 2.182 Start of MODEL 13 1 HA ALA 1 HA ALA 1 7.524 -19.156 5.906 2 HB1 ALA 1 HB1 ALA 1 5.820 -19.281 7.372 3 HB2 ALA 1 HB2 ALA 1 6.945 -19.334 8.730 4 HB3 ALA 1 HB3 ALA 1 6.466 -20.828 7.922 5 H ASP 2 HN ASP 2 9.099 -17.665 5.799 6 HA ASP 2 HA ASP 2 10.625 -17.087 8.264 7 HB2 ASP 2 HB2 ASP 2 11.726 -16.999 5.444 8 HB3 ASP 2 HB1 ASP 2 12.607 -16.621 6.925 9 H ASN 3 HN ASN 3 11.980 -15.040 6.351 10 HA ASN 3 HA ASN 3 9.861 -13.134 5.848 11 HB2 ASN 3 HB2 ASN 3 10.863 -11.410 7.368 12 HB3 ASN 3 HB1 ASN 3 10.099 -12.753 8.216 13 HD21 ASN 3 HD21 ASN 3 12.865 -14.050 6.910 14 HD22 ASN 3 HD22 ASN 3 13.927 -13.809 8.212 15 H LYS 4 HN LYS 4 10.917 -13.554 3.752 16 HA LYS 4 HA LYS 4 13.392 -11.962 3.425 17 HB2 LYS 4 HB2 LYS 4 13.622 -13.417 1.291 18 HB3 LYS 4 HB1 LYS 4 14.010 -14.149 2.843 19 HG2 LYS 4 HG2 LYS 4 11.897 -15.269 2.951 20 HG3 LYS 4 HG1 LYS 4 11.264 -14.346 1.591 21 HD2 LYS 4 HD2 LYS 4 12.959 -15.388 0.110 22 HD3 LYS 4 HD1 LYS 4 13.543 -16.342 1.474 23 HE2 LYS 4 HE2 LYS 4 10.670 -16.588 1.244 24 HE3 LYS 4 HE1 LYS 4 11.444 -17.011 -0.284 25 HZ1 LYS 4 HZ1 LYS 4 12.159 -18.111 2.380 26 HZ2 LYS 4 HZ2 LYS 4 12.905 -18.516 0.909 27 HZ3 LYS 4 HZ3 LYS 4 11.278 -18.923 1.180 28 H CYS 5 HN CYS 5 12.015 -13.040 0.547 29 HA CYS 5 HA CYS 5 11.382 -10.377 -0.299 30 HB2 CYS 5 HB2 CYS 5 11.800 -12.935 -1.517 31 HB3 CYS 5 HB1 CYS 5 10.275 -12.268 -2.099 32 H GLU 6 HN GLU 6 9.754 -12.315 1.727 33 HA GLU 6 HA GLU 6 7.091 -11.523 0.710 34 HB2 GLU 6 HB2 GLU 6 6.230 -13.327 2.217 35 HB3 GLU 6 HB1 GLU 6 7.265 -13.922 0.919 36 HG2 GLU 6 HG2 GLU 6 8.735 -14.765 2.396 37 HG3 GLU 6 HG1 GLU 6 8.862 -13.212 3.222 38 H ASN 7 HN ASN 7 9.291 -10.248 2.584 39 HA ASN 7 HA ASN 7 7.808 -9.863 5.045 40 HB2 ASN 7 HB2 ASN 7 10.219 -9.917 5.179 41 HB3 ASN 7 HB1 ASN 7 10.356 -8.625 3.987 42 HD21 ASN 7 HD21 ASN 7 11.599 -7.577 5.902 43 HD22 ASN 7 HD22 ASN 7 10.676 -6.700 7.025 44 H SER 8 HN SER 8 9.313 -7.302 3.129 45 HA SER 8 HA SER 8 6.711 -5.985 2.789 46 HB2 SER 8 HB2 SER 8 9.083 -4.539 3.978 47 HB3 SER 8 HB1 SER 8 7.445 -3.924 3.767 48 HG SER 8 HG SER 8 7.249 -4.645 5.748 49 H LEU 9 HN LEU 9 6.939 -3.991 1.406 50 HA LEU 9 HA LEU 9 8.180 -4.637 -1.032 51 HB2 LEU 9 HB2 LEU 9 7.509 -1.809 -0.270 52 HB3 LEU 9 HB1 LEU 9 7.338 -2.608 -1.832 53 HG LEU 9 HG LEU 9 5.717 -4.165 -0.273 54 HD11 LEU 9 HD11 LEU 9 4.506 -2.865 1.278 55 HD12 LEU 9 HD12 LEU 9 5.114 -1.348 0.614 56 HD13 LEU 9 HD13 LEU 9 6.176 -2.381 1.568 57 HD21 LEU 9 HD21 LEU 9 5.051 -1.634 -1.796 58 HD22 LEU 9 HD22 LEU 9 3.855 -2.827 -1.293 59 HD23 LEU 9 HD23 LEU 9 5.111 -3.272 -2.448 60 H ARG 10 HN ARG 10 9.147 -2.424 1.572 61 HA ARG 10 HA ARG 10 11.322 -1.172 0.457 62 HB2 ARG 10 HB2 ARG 10 10.829 -2.184 3.250 63 HB3 ARG 10 HB1 ARG 10 12.314 -1.326 2.833 64 HG2 ARG 10 HG2 ARG 10 11.064 0.613 2.107 65 HG3 ARG 10 HG1 ARG 10 9.535 -0.245 2.294 66 HD2 ARG 10 HD2 ARG 10 11.276 -0.169 4.694 67 HD3 ARG 10 HD1 ARG 10 10.573 1.371 4.207 68 HE ARG 10 HE ARG 10 8.439 -0.307 4.146 69 HH11 ARG 10 HH21 ARG 10 10.929 0.342 6.459 70 HH12 ARG 10 HH22 ARG 10 9.935 -0.006 7.833 71 HH21 ARG 10 HH11 ARG 10 7.130 -0.766 5.943 72 HH22 ARG 10 HH12 ARG 10 7.784 -0.634 7.541 73 H ARG 11 HN ARG 11 11.269 -4.375 2.008 74 HA ARG 11 HA ARG 11 14.015 -4.947 1.668 75 HB2 ARG 11 HB2 ARG 11 11.825 -7.022 1.685 76 HB3 ARG 11 HB1 ARG 11 13.478 -7.170 2.286 77 HG2 ARG 11 HG2 ARG 11 11.287 -5.428 3.454 78 HG3 ARG 11 HG1 ARG 11 11.973 -6.880 4.181 79 HD2 ARG 11 HD2 ARG 11 14.247 -5.618 3.956 80 HD3 ARG 11 HD1 ARG 11 13.243 -4.179 3.805 81 HE ARG 11 HE ARG 11 12.501 -5.780 6.071 82 HH11 ARG 11 HH21 ARG 11 14.757 -3.460 4.844 83 HH12 ARG 11 HH22 ARG 11 15.141 -2.805 6.401 84 HH21 ARG 11 HH11 ARG 11 13.000 -4.926 8.115 85 HH22 ARG 11 HH12 ARG 11 14.146 -3.635 8.253 86 H GLU 12 HN GLU 12 11.172 -5.730 -0.316 87 HA GLU 12 HA GLU 12 12.490 -7.237 -2.289 88 HB2 GLU 12 HB2 GLU 12 10.040 -5.469 -2.513 89 HB3 GLU 12 HB1 GLU 12 10.555 -6.628 -3.738 90 HG2 GLU 12 HG2 GLU 12 10.297 -8.472 -2.183 91 HG3 GLU 12 HG1 GLU 12 9.953 -7.359 -0.860 92 H ILE 13 HN ILE 13 11.920 -3.747 -2.042 93 HA ILE 13 HA ILE 13 13.013 -3.104 -4.587 94 HB ILE 13 HB ILE 13 12.742 -1.391 -2.105 95 HG12 ILE 13 HG12 ILE 13 10.914 -1.346 -4.496 96 HG13 ILE 13 HG11 ILE 13 10.662 -2.549 -3.231 97 HG21 ILE 13 HG21 ILE 13 12.699 0.447 -3.866 98 HG22 ILE 13 HG22 ILE 13 13.261 -0.762 -5.018 99 HG23 ILE 13 HG23 ILE 13 14.264 -0.333 -3.633 100 HD11 ILE 13 HD11 ILE 13 9.443 -0.248 -3.042 101 HD12 ILE 13 HD12 ILE 13 11.011 0.349 -2.507 102 HD13 ILE 13 HD13 ILE 13 10.198 -0.930 -1.603 103 H ALA 14 HN ALA 14 14.333 -3.079 -1.301 104 HA ALA 14 HA ALA 14 16.830 -2.049 -1.756 105 HB1 ALA 14 HB1 ALA 14 17.577 -3.427 0.152 106 HB2 ALA 14 HB2 ALA 14 16.054 -4.289 0.058 107 HB3 ALA 14 HB3 ALA 14 16.055 -2.583 0.458 108 H CYS 15 HN CYS 15 16.480 -5.503 -1.282 109 HA CYS 15 HA CYS 15 18.817 -6.311 -2.518 110 HB2 CYS 15 HB2 CYS 15 16.334 -7.579 -1.685 111 HB3 CYS 15 HB1 CYS 15 17.039 -8.362 -3.104 112 H GLY 16 HN GLY 16 15.717 -5.507 -3.965 113 HA2 GLY 16 HA2 GLY 16 16.114 -6.560 -6.537 114 HA3 GLY 16 HA1 GLY 16 15.091 -5.179 -6.151 115 H GLN 17 HN GLN 17 16.045 -3.065 -6.091 116 HA GLN 17 HA GLN 17 17.431 -2.187 -8.208 117 HB2 GLN 17 HB2 GLN 17 17.853 -1.150 -5.396 118 HB3 GLN 17 HB1 GLN 17 18.204 -0.270 -6.884 119 HG2 GLN 17 HG2 GLN 17 15.608 -1.044 -7.312 120 HG3 GLN 17 HG1 GLN 17 15.612 -0.780 -5.570 121 HE21 GLN 17 HE21 GLN 17 14.377 0.899 -7.775 122 HE22 GLN 17 HE22 GLN 17 15.040 2.447 -7.560 123 H CYS 18 HN CYS 18 18.947 -3.322 -5.215 124 HA CYS 18 HA CYS 18 21.604 -2.929 -5.727 125 HB2 CYS 18 HB2 CYS 18 20.113 -5.112 -4.332 126 HB3 CYS 18 HB1 CYS 18 21.844 -5.303 -4.596 127 H ARG 19 HN ARG 19 19.993 -6.044 -6.499 128 HA ARG 19 HA ARG 19 22.107 -6.749 -8.317 129 HB2 ARG 19 HB2 ARG 19 19.584 -8.007 -7.366 130 HB3 ARG 19 HB1 ARG 19 20.322 -8.611 -8.851 131 HG2 ARG 19 HG2 ARG 19 21.130 -9.838 -6.851 132 HG3 ARG 19 HG1 ARG 19 22.436 -8.991 -7.678 133 HD2 ARG 19 HD2 ARG 19 21.018 -7.498 -5.534 134 HD3 ARG 19 HD1 ARG 19 22.048 -8.824 -5.026 135 HE ARG 19 HE ARG 19 23.222 -6.899 -6.887 136 HH11 ARG 19 HH21 ARG 19 22.815 -8.040 -3.634 137 HH12 ARG 19 HH22 ARG 19 24.241 -7.262 -3.042 138 HH21 ARG 19 HH11 ARG 19 25.089 -5.877 -6.102 139 HH22 ARG 19 HH12 ARG 19 25.524 -6.038 -4.433 140 H ASP 20 HN ASP 20 19.817 -4.519 -8.663 141 HA ASP 20 HA ASP 20 19.129 -5.232 -11.437 142 HB2 ASP 20 HB2 ASP 20 17.585 -4.170 -9.395 143 HB3 ASP 20 HB1 ASP 20 17.960 -2.774 -10.399 144 H LYS 21 HN LYS 21 21.392 -3.453 -9.694 145 HA LYS 21 HA LYS 21 21.764 -1.571 -11.953 146 HB2 LYS 21 HB2 LYS 21 22.664 0.034 -10.452 147 HB3 LYS 21 HB1 LYS 21 21.236 -0.604 -9.633 148 HG2 LYS 21 HG2 LYS 21 22.777 -2.251 -8.501 149 HG3 LYS 21 HG1 LYS 21 24.131 -1.318 -9.115 150 HD2 LYS 21 HD2 LYS 21 22.599 0.651 -8.028 151 HD3 LYS 21 HD1 LYS 21 22.217 -0.695 -6.951 152 HE2 LYS 21 HE2 LYS 21 24.155 0.429 -6.046 153 HE3 LYS 21 HE1 LYS 21 24.688 -1.112 -6.718 154 HZ1 LYS 21 HZ1 LYS 21 26.057 -0.019 -8.044 155 HZ2 LYS 21 HZ2 LYS 21 25.532 1.466 -7.409 156 HZ3 LYS 21 HZ3 LYS 21 24.750 0.793 -8.758 157 H VAL 22 HN VAL 22 22.888 -4.390 -10.708 158 HA VAL 22 HA VAL 22 25.513 -3.977 -11.932 159 HB VAL 22 HB VAL 22 26.202 -5.632 -9.972 160 HG11 VAL 22 HG11 VAL 22 27.369 -3.564 -10.472 161 HG12 VAL 22 HG12 VAL 22 27.034 -3.612 -8.742 162 HG13 VAL 22 HG13 VAL 22 26.034 -2.620 -9.806 163 HG21 VAL 22 HG21 VAL 22 25.093 -5.346 -7.965 164 HG22 VAL 22 HG22 VAL 22 23.757 -5.290 -9.105 165 HG23 VAL 22 HG23 VAL 22 24.425 -3.798 -8.447 166 H LYS 23 HN LYS 23 23.379 -6.422 -10.400 167 HA LYS 23 HA LYS 23 24.310 -8.401 -12.356 168 HB2 LYS 23 HB2 LYS 23 22.408 -8.872 -10.065 169 HB3 LYS 23 HB1 LYS 23 23.385 -10.058 -10.932 170 HG2 LYS 23 HG2 LYS 23 24.408 -7.849 -9.125 171 HG3 LYS 23 HG1 LYS 23 24.452 -9.582 -8.797 172 HD2 LYS 23 HD2 LYS 23 25.791 -9.743 -11.021 173 HD3 LYS 23 HD1 LYS 23 26.042 -8.010 -10.816 174 HE2 LYS 23 HE2 LYS 23 26.912 -8.482 -8.503 175 HE3 LYS 23 HE1 LYS 23 26.819 -10.203 -8.875 176 HZ1 LYS 23 HZ1 LYS 23 28.331 -9.878 -10.705 177 HZ2 LYS 23 HZ2 LYS 23 29.033 -9.278 -9.279 178 HZ3 LYS 23 HZ3 LYS 23 28.379 -8.206 -10.424 179 H THR 24 HN THR 24 21.607 -9.756 -11.694 180 HA THR 24 HA THR 24 19.830 -8.159 -13.401 181 HB THR 24 HB THR 24 21.057 -9.663 -14.925 182 HG1 THR 24 HG1 THR 24 18.934 -9.240 -15.444 183 HG21 THR 24 HG21 THR 24 19.752 -12.010 -13.587 184 HG22 THR 24 HG22 THR 24 21.290 -11.404 -12.971 185 HG23 THR 24 HG23 THR 24 21.169 -11.972 -14.636 186 H ASP 25 HN ASP 25 17.843 -10.051 -13.751 187 HA ASP 25 HA ASP 25 16.512 -9.958 -11.243 188 HB2 ASP 25 HB2 ASP 25 15.723 -10.299 -13.842 189 HB3 ASP 25 HB1 ASP 25 15.513 -11.924 -13.189 190 H GLY 26 HN GLY 26 17.758 -12.721 -13.133 191 HA2 GLY 26 HA2 GLY 26 17.192 -14.787 -11.401 192 HA3 GLY 26 HA1 GLY 26 18.611 -14.750 -12.442 193 H TYR 27 HN TYR 27 19.501 -12.231 -11.014 194 HA TYR 27 HA TYR 27 20.997 -13.592 -8.929 195 HB2 TYR 27 HB2 TYR 27 21.425 -11.347 -10.621 196 HB3 TYR 27 HB1 TYR 27 21.493 -10.780 -8.954 197 HD1 TYR 27 HD2 TYR 27 23.141 -11.693 -7.369 198 HD2 TYR 27 HD1 TYR 27 23.037 -12.954 -11.474 199 HE1 TYR 27 HE2 TYR 27 25.392 -12.702 -7.117 200 HE2 TYR 27 HE1 TYR 27 25.288 -13.963 -11.222 201 HH TYR 27 HH TYR 27 27.247 -13.749 -9.799 202 H PHE 28 HN PHE 28 18.835 -10.764 -9.139 203 HA PHE 28 HA PHE 28 18.725 -10.006 -6.501 204 HB2 PHE 28 HB2 PHE 28 17.340 -8.585 -7.572 205 HB3 PHE 28 HB1 PHE 28 16.972 -9.766 -8.826 206 HD1 PHE 28 HD1 PHE 28 16.203 -8.861 -5.286 207 HD2 PHE 28 HD2 PHE 28 14.916 -10.918 -8.828 208 HE1 PHE 28 HE1 PHE 28 13.996 -9.283 -4.237 209 HE2 PHE 28 HE2 PHE 28 12.709 -11.342 -7.781 210 HZ PHE 28 HZ PHE 28 12.249 -10.524 -5.486 211 H TYR 29 HN TYR 29 17.169 -12.757 -8.043 212 HA TYR 29 HA TYR 29 15.343 -13.505 -6.088 213 HB2 TYR 29 HB2 TYR 29 16.377 -14.637 -8.423 214 HB3 TYR 29 HB1 TYR 29 16.749 -15.809 -7.159 215 HD1 TYR 29 HD2 TYR 29 14.784 -16.250 -5.430 216 HD2 TYR 29 HD1 TYR 29 14.250 -14.690 -9.399 217 HE1 TYR 29 HE2 TYR 29 12.415 -16.981 -5.400 218 HE2 TYR 29 HE1 TYR 29 11.881 -15.423 -9.366 219 HH TYR 29 HH TYR 29 10.348 -16.632 -8.265 220 H GLU 30 HN GLU 30 18.812 -14.205 -6.287 221 HA GLU 30 HA GLU 30 18.873 -15.802 -3.919 222 HB2 GLU 30 HB2 GLU 30 20.941 -14.544 -5.688 223 HB3 GLU 30 HB1 GLU 30 21.410 -15.226 -4.132 224 HG2 GLU 30 HG2 GLU 30 21.588 -16.872 -6.006 225 HG3 GLU 30 HG1 GLU 30 20.474 -17.386 -4.739 226 H CYS 31 HN CYS 31 19.431 -12.395 -4.652 227 HA CYS 31 HA CYS 31 20.563 -11.575 -2.228 228 HB2 CYS 31 HB2 CYS 31 20.274 -10.197 -4.333 229 HB3 CYS 31 HB1 CYS 31 18.591 -9.967 -3.866 230 H CYS 32 HN CYS 32 17.215 -12.211 -3.104 231 HA CYS 32 HA CYS 32 16.139 -11.135 -0.650 232 HB2 CYS 32 HB2 CYS 32 15.108 -12.056 -3.157 233 HB3 CYS 32 HB1 CYS 32 14.298 -12.930 -1.855 234 H THR 33 HN THR 33 16.864 -14.347 -1.947 235 HA THR 33 HA THR 33 15.897 -15.705 0.415 236 HB THR 33 HB THR 33 16.680 -17.730 -0.671 237 HG1 THR 33 HG1 THR 33 17.992 -17.660 -2.414 238 HG21 THR 33 HG21 THR 33 15.279 -15.705 -2.410 239 HG22 THR 33 HG22 THR 33 14.603 -17.101 -1.577 240 HG23 THR 33 HG23 THR 33 15.611 -17.328 -3.007 241 H SER 34 HN SER 34 18.767 -14.126 -0.491 242 HA SER 34 HA SER 34 20.389 -15.633 1.447 243 HB2 SER 34 HB2 SER 34 22.298 -14.483 0.451 244 HB3 SER 34 HB1 SER 34 21.341 -15.249 -0.808 245 HG SER 34 HG SER 34 21.320 -13.318 -1.627 246 H ASP 35 HN ASP 35 20.980 -14.779 3.356 247 HA ASP 35 HA ASP 35 19.835 -12.230 4.144 248 HB2 ASP 35 HB2 ASP 35 21.423 -14.325 5.636 249 HB3 ASP 35 HB1 ASP 35 20.853 -12.830 6.375 250 H SER 36 HN SER 36 23.113 -13.643 4.324 251 HA SER 36 HA SER 36 24.600 -11.495 5.062 252 HB2 SER 36 HB2 SER 36 25.136 -13.957 3.850 253 HB3 SER 36 HB1 SER 36 25.875 -12.762 2.787 254 HG SER 36 HG SER 36 26.861 -13.658 4.999 255 H THR 37 HN THR 37 23.193 -12.061 1.875 256 HA THR 37 HA THR 37 24.487 -9.854 0.596 257 HB THR 37 HB THR 37 21.858 -10.975 -0.318 258 HG1 THR 37 HG1 THR 37 23.169 -12.650 -1.292 259 HG21 THR 37 HG21 THR 37 23.075 -9.135 -1.537 260 HG22 THR 37 HG22 THR 37 22.806 -10.587 -2.504 261 HG23 THR 37 HG23 THR 37 24.398 -10.270 -1.808 262 H PHE 38 HN PHE 38 21.118 -10.340 1.688 263 HA PHE 38 HA PHE 38 20.066 -7.862 1.162 264 HB2 PHE 38 HB2 PHE 38 18.609 -9.514 2.037 265 HB3 PHE 38 HB1 PHE 38 19.593 -9.726 3.486 266 HD1 PHE 38 HD1 PHE 38 17.584 -7.160 1.644 267 HD2 PHE 38 HD2 PHE 38 19.113 -8.495 5.429 268 HE1 PHE 38 HE1 PHE 38 16.269 -5.401 2.795 269 HE2 PHE 38 HE2 PHE 38 17.796 -6.738 6.581 270 HZ PHE 38 HZ PHE 38 16.374 -5.190 5.264 271 H LYS 39 HN LYS 39 22.153 -8.787 3.856 272 HA LYS 39 HA LYS 39 21.925 -6.319 5.270 273 HB2 LYS 39 HB2 LYS 39 24.131 -8.393 5.345 274 HB3 LYS 39 HB1 LYS 39 23.871 -7.118 6.536 275 HG2 LYS 39 HG2 LYS 39 21.387 -8.452 6.211 276 HG3 LYS 39 HG1 LYS 39 22.619 -9.703 6.379 277 HD2 LYS 39 HD2 LYS 39 22.289 -7.340 8.253 278 HD3 LYS 39 HD1 LYS 39 21.711 -8.975 8.580 279 HE2 LYS 39 HE2 LYS 39 23.743 -9.510 9.379 280 HE3 LYS 39 HE1 LYS 39 24.429 -9.202 7.783 281 HZ1 LYS 39 HZ1 LYS 39 23.895 -6.755 9.068 282 HZ2 LYS 39 HZ2 LYS 39 25.388 -7.380 8.552 283 HZ3 LYS 39 HZ3 LYS 39 24.809 -7.732 10.110 284 H LYS 40 HN LYS 40 24.017 -7.500 2.707 285 HA LYS 40 HA LYS 40 25.804 -5.224 2.864 286 HB2 LYS 40 HB2 LYS 40 26.421 -7.589 2.078 287 HB3 LYS 40 HB1 LYS 40 25.598 -7.175 0.573 288 HG2 LYS 40 HG2 LYS 40 27.067 -5.198 0.323 289 HG3 LYS 40 HG1 LYS 40 27.909 -5.648 1.807 290 HD2 LYS 40 HD2 LYS 40 28.401 -7.890 0.711 291 HD3 LYS 40 HD1 LYS 40 27.809 -7.190 -0.795 292 HE2 LYS 40 HE2 LYS 40 29.571 -5.266 0.194 293 HE3 LYS 40 HE1 LYS 40 30.374 -6.800 0.536 294 HZ1 LYS 40 HZ1 LYS 40 30.468 -5.561 -1.825 295 HZ2 LYS 40 HZ2 LYS 40 29.147 -6.598 -2.080 296 HZ3 LYS 40 HZ3 LYS 40 30.656 -7.236 -1.631 297 H CYS 41 HN CYS 41 22.965 -6.180 1.071 298 HA CYS 41 HA CYS 41 23.182 -4.240 -1.003 299 HB2 CYS 41 HB2 CYS 41 21.740 -6.097 -1.390 300 HB3 CYS 41 HB1 CYS 41 20.847 -5.799 0.103 301 H GLN 42 HN GLN 42 20.902 -4.342 1.748 302 HA GLN 42 HA GLN 42 19.781 -1.891 1.607 303 HB2 GLN 42 HB2 GLN 42 19.469 -1.955 4.003 304 HB3 GLN 42 HB1 GLN 42 19.358 -3.605 3.391 305 HG2 GLN 42 HG2 GLN 42 21.830 -3.852 3.934 306 HG3 GLN 42 HG1 GLN 42 21.713 -2.314 4.789 307 HE21 GLN 42 HE21 GLN 42 21.457 -2.658 6.986 308 HE22 GLN 42 HE22 GLN 42 20.544 -3.909 7.679 309 H ASP 43 HN ASP 43 23.028 -2.637 2.812 310 HA ASP 43 HA ASP 43 23.682 -0.077 3.798 311 HB2 ASP 43 HB2 ASP 43 24.937 -2.416 3.908 312 HB3 ASP 43 HB1 ASP 43 25.787 -1.758 2.510 313 H LEU 44 HN LEU 44 23.861 -1.484 0.571 314 HA LEU 44 HA LEU 44 25.283 0.711 -0.595 315 HB2 LEU 44 HB2 LEU 44 23.850 -1.703 -1.632 316 HB3 LEU 44 HB1 LEU 44 24.195 -0.385 -2.749 317 HG LEU 44 HG LEU 44 26.383 -1.349 -0.945 318 HD11 LEU 44 HD11 LEU 44 27.000 -2.989 -2.774 319 HD12 LEU 44 HD12 LEU 44 25.387 -2.744 -3.445 320 HD13 LEU 44 HD13 LEU 44 25.576 -3.439 -1.835 321 HD21 LEU 44 HD21 LEU 44 27.758 -0.353 -2.524 322 HD22 LEU 44 HD22 LEU 44 26.310 0.636 -2.719 323 HD23 LEU 44 HD23 LEU 44 26.642 -0.675 -3.851 324 H LEU 45 HN LEU 45 21.867 -0.329 -0.697 325 HA LEU 45 HA LEU 45 20.934 1.863 -2.175 326 HB2 LEU 45 HB2 LEU 45 19.782 -0.328 -0.617 327 HB3 LEU 45 HB1 LEU 45 18.816 1.143 -0.531 328 HG LEU 45 HG LEU 45 18.121 -0.271 -2.418 329 HD11 LEU 45 HD11 LEU 45 19.353 1.843 -3.994 330 HD12 LEU 45 HD12 LEU 45 18.666 2.446 -2.483 331 HD13 LEU 45 HD13 LEU 45 17.652 1.564 -3.620 332 HD21 LEU 45 HD21 LEU 45 20.257 0.097 -4.247 333 HD22 LEU 45 HD22 LEU 45 19.669 -1.423 -3.561 334 HD23 LEU 45 HD23 LEU 45 20.962 -0.547 -2.767 335 H HIS 46 HN HIS 46 20.921 1.312 1.342 336 HA HIS 46 HA HIS 46 19.906 3.908 1.951 337 HB2 HIS 46 HB2 HIS 46 19.916 1.782 3.422 338 HB3 HIS 46 HB1 HIS 46 21.562 2.258 3.843 339 HD1 HIS 46 HD1 HIS 46 21.753 3.876 5.730 340 HD2 HIS 46 HD2 HIS 46 17.997 4.062 3.931 341 HE1 HIS 46 HE1 HIS 46 20.389 5.521 7.089 Start of MODEL 14 1 HA ALA 1 HA ALA 1 13.400 -17.689 9.396 2 HB1 ALA 1 HB1 ALA 1 15.878 -17.725 7.855 3 HB2 ALA 1 HB2 ALA 1 15.338 -16.575 9.079 4 HB3 ALA 1 HB3 ALA 1 14.836 -16.377 7.400 5 H ASP 2 HN ASP 2 12.166 -16.054 8.219 6 HA ASP 2 HA ASP 2 11.295 -16.763 5.517 7 HB2 ASP 2 HB2 ASP 2 9.649 -17.058 7.971 8 HB3 ASP 2 HB1 ASP 2 8.863 -16.322 6.576 9 H ASN 3 HN ASN 3 12.272 -14.790 4.917 10 HA ASN 3 HA ASN 3 10.542 -12.511 5.100 11 HB2 ASN 3 HB2 ASN 3 12.408 -11.051 6.108 12 HB3 ASN 3 HB1 ASN 3 11.488 -12.069 7.214 13 HD21 ASN 3 HD21 ASN 3 12.887 -12.990 8.713 14 HD22 ASN 3 HD22 ASN 3 14.435 -13.590 8.358 15 H LYS 4 HN LYS 4 10.697 -12.785 2.825 16 HA LYS 4 HA LYS 4 13.288 -11.943 1.667 17 HB2 LYS 4 HB2 LYS 4 11.138 -13.402 0.149 18 HB3 LYS 4 HB1 LYS 4 12.850 -13.242 -0.243 19 HG2 LYS 4 HG2 LYS 4 13.432 -14.610 1.729 20 HG3 LYS 4 HG1 LYS 4 11.719 -14.784 2.114 21 HD2 LYS 4 HD2 LYS 4 11.346 -15.866 -0.083 22 HD3 LYS 4 HD1 LYS 4 13.073 -15.741 -0.422 23 HE2 LYS 4 HE2 LYS 4 12.802 -17.936 0.428 24 HE3 LYS 4 HE1 LYS 4 13.416 -17.009 1.797 25 HZ1 LYS 4 HZ1 LYS 4 10.557 -16.932 1.573 26 HZ2 LYS 4 HZ2 LYS 4 11.530 -17.294 2.918 27 HZ3 LYS 4 HZ3 LYS 4 11.152 -18.506 1.787 28 H CYS 5 HN CYS 5 11.587 -11.817 -0.903 29 HA CYS 5 HA CYS 5 11.126 -8.984 -0.788 30 HB2 CYS 5 HB2 CYS 5 9.934 -10.280 -3.088 31 HB3 CYS 5 HB1 CYS 5 11.279 -9.141 -3.019 32 H GLU 6 HN GLU 6 9.381 -11.414 0.472 33 HA GLU 6 HA GLU 6 6.759 -10.289 -0.264 34 HB2 GLU 6 HB2 GLU 6 5.884 -12.347 0.918 35 HB3 GLU 6 HB1 GLU 6 6.819 -12.664 -0.544 36 HG2 GLU 6 HG2 GLU 6 8.731 -13.331 0.685 37 HG3 GLU 6 HG1 GLU 6 8.120 -12.619 2.178 38 H ASN 7 HN ASN 7 9.084 -9.791 1.978 39 HA ASN 7 HA ASN 7 7.451 -9.685 4.363 40 HB2 ASN 7 HB2 ASN 7 9.928 -10.134 4.368 41 HB3 ASN 7 HB1 ASN 7 10.172 -8.451 3.899 42 HD21 ASN 7 HD21 ASN 7 8.899 -10.520 6.517 43 HD22 ASN 7 HD22 ASN 7 8.986 -9.325 7.719 44 H SER 8 HN SER 8 9.211 -7.187 2.500 45 HA SER 8 HA SER 8 6.939 -5.382 2.726 46 HB2 SER 8 HB2 SER 8 8.908 -5.279 4.690 47 HB3 SER 8 HB1 SER 8 9.360 -4.000 3.568 48 HG SER 8 HG SER 8 6.792 -4.400 4.721 49 H LEU 9 HN LEU 9 7.127 -3.529 1.350 50 HA LEU 9 HA LEU 9 8.358 -4.030 -1.126 51 HB2 LEU 9 HB2 LEU 9 7.328 -1.442 0.058 52 HB3 LEU 9 HB1 LEU 9 7.783 -1.657 -1.633 53 HG LEU 9 HG LEU 9 5.912 -3.680 -0.532 54 HD11 LEU 9 HD11 LEU 9 5.239 -0.755 -0.823 55 HD12 LEU 9 HD12 LEU 9 4.816 -1.858 0.487 56 HD13 LEU 9 HD13 LEU 9 4.012 -1.996 -1.076 57 HD21 LEU 9 HD21 LEU 9 6.755 -3.491 -2.926 58 HD22 LEU 9 HD22 LEU 9 5.803 -2.013 -3.060 59 HD23 LEU 9 HD23 LEU 9 5.001 -3.553 -2.754 60 H ARG 10 HN ARG 10 9.425 -2.260 1.715 61 HA ARG 10 HA ARG 10 11.573 -0.835 0.610 62 HB2 ARG 10 HB2 ARG 10 11.188 -2.020 3.366 63 HB3 ARG 10 HB1 ARG 10 12.523 -0.947 2.941 64 HG2 ARG 10 HG2 ARG 10 10.882 0.778 2.227 65 HG3 ARG 10 HG1 ARG 10 9.571 -0.284 2.738 66 HD2 ARG 10 HD2 ARG 10 9.851 1.051 4.628 67 HD3 ARG 10 HD1 ARG 10 10.864 -0.335 5.017 68 HE ARG 10 HE ARG 10 12.223 1.857 3.665 69 HH11 ARG 10 HH21 ARG 10 11.301 0.340 6.636 70 HH12 ARG 10 HH22 ARG 10 12.559 1.083 7.566 71 HH21 ARG 10 HH11 ARG 10 13.875 2.835 4.878 72 HH22 ARG 10 HH12 ARG 10 14.017 2.496 6.570 73 H ARG 11 HN ARG 11 11.469 -4.099 2.009 74 HA ARG 11 HA ARG 11 14.219 -4.679 1.643 75 HB2 ARG 11 HB2 ARG 11 12.077 -6.788 1.592 76 HB3 ARG 11 HB1 ARG 11 13.696 -6.867 2.290 77 HG2 ARG 11 HG2 ARG 11 11.355 -5.242 3.329 78 HG3 ARG 11 HG1 ARG 11 12.088 -6.646 4.098 79 HD2 ARG 11 HD2 ARG 11 14.273 -5.329 4.119 80 HD3 ARG 11 HD1 ARG 11 13.319 -3.917 3.676 81 HE ARG 11 HE ARG 11 12.217 -5.233 5.962 82 HH11 ARG 11 HH21 ARG 11 14.767 -3.168 4.862 83 HH12 ARG 11 HH22 ARG 11 14.970 -2.375 6.389 84 HH21 ARG 11 HH11 ARG 11 12.477 -4.198 7.967 85 HH22 ARG 11 HH12 ARG 11 13.673 -2.958 8.146 86 H GLU 12 HN GLU 12 11.353 -5.230 -0.361 87 HA GLU 12 HA GLU 12 12.569 -6.782 -2.368 88 HB2 GLU 12 HB2 GLU 12 10.236 -6.744 -2.478 89 HB3 GLU 12 HB1 GLU 12 10.157 -4.993 -2.281 90 HG2 GLU 12 HG2 GLU 12 10.798 -4.585 -4.505 91 HG3 GLU 12 HG1 GLU 12 11.485 -6.197 -4.699 92 H ILE 13 HN ILE 13 12.060 -3.255 -2.186 93 HA ILE 13 HA ILE 13 13.271 -2.618 -4.647 94 HB ILE 13 HB ILE 13 13.058 -0.975 -2.117 95 HG12 ILE 13 HG12 ILE 13 11.339 -0.670 -4.565 96 HG13 ILE 13 HG11 ILE 13 10.964 -1.949 -3.410 97 HG21 ILE 13 HG21 ILE 13 13.251 0.940 -3.756 98 HG22 ILE 13 HG22 ILE 13 13.703 -0.239 -4.986 99 HG23 ILE 13 HG23 ILE 13 14.730 -0.004 -3.572 100 HD11 ILE 13 HD11 ILE 13 9.953 0.508 -3.141 101 HD12 ILE 13 HD12 ILE 13 11.493 0.783 -2.328 102 HD13 ILE 13 HD13 ILE 13 10.394 -0.463 -1.735 103 H ALA 14 HN ALA 14 14.598 -2.644 -1.339 104 HA ALA 14 HA ALA 14 17.174 -1.813 -1.785 105 HB1 ALA 14 HB1 ALA 14 17.823 -3.129 0.127 106 HB2 ALA 14 HB2 ALA 14 16.369 -4.087 -0.026 107 HB3 ALA 14 HB3 ALA 14 16.246 -2.395 0.418 108 H CYS 15 HN CYS 15 16.590 -5.260 -1.382 109 HA CYS 15 HA CYS 15 18.867 -6.158 -2.683 110 HB2 CYS 15 HB2 CYS 15 16.508 -7.324 -1.603 111 HB3 CYS 15 HB1 CYS 15 16.763 -8.021 -3.208 112 H GLY 16 HN GLY 16 15.717 -5.327 -4.035 113 HA2 GLY 16 HA2 GLY 16 15.932 -6.344 -6.598 114 HA3 GLY 16 HA1 GLY 16 15.086 -4.851 -6.197 115 H GLN 17 HN GLN 17 16.220 -2.860 -6.313 116 HA GLN 17 HA GLN 17 17.738 -2.355 -8.512 117 HB2 GLN 17 HB2 GLN 17 18.151 -0.917 -5.897 118 HB3 GLN 17 HB1 GLN 17 18.384 -0.274 -7.523 119 HG2 GLN 17 HG2 GLN 17 15.941 -0.679 -7.958 120 HG3 GLN 17 HG1 GLN 17 15.762 -1.115 -6.260 121 HE21 GLN 17 HE21 GLN 17 15.312 1.451 -8.296 122 HE22 GLN 17 HE22 GLN 17 15.557 2.728 -7.205 123 H CYS 18 HN CYS 18 18.974 -3.154 -5.278 124 HA CYS 18 HA CYS 18 21.661 -2.874 -5.592 125 HB2 CYS 18 HB2 CYS 18 20.519 -3.743 -3.541 126 HB3 CYS 18 HB1 CYS 18 20.363 -5.303 -4.343 127 H ARG 19 HN ARG 19 19.695 -5.572 -6.793 128 HA ARG 19 HA ARG 19 22.045 -6.592 -8.238 129 HB2 ARG 19 HB2 ARG 19 19.418 -7.917 -7.549 130 HB3 ARG 19 HB1 ARG 19 20.708 -8.674 -8.478 131 HG2 ARG 19 HG2 ARG 19 21.019 -7.593 -5.657 132 HG3 ARG 19 HG1 ARG 19 20.782 -9.293 -6.056 133 HD2 ARG 19 HD2 ARG 19 23.069 -9.285 -5.997 134 HD3 ARG 19 HD1 ARG 19 22.865 -8.794 -7.672 135 HE ARG 19 HE ARG 19 22.907 -6.411 -6.507 136 HH11 ARG 19 HH21 ARG 19 24.828 -9.235 -5.957 137 HH12 ARG 19 HH22 ARG 19 26.225 -8.353 -5.450 138 HH21 ARG 19 HH11 ARG 19 24.737 -5.246 -5.841 139 HH22 ARG 19 HH12 ARG 19 26.177 -6.095 -5.385 140 H ASP 20 HN ASP 20 19.433 -4.645 -8.715 141 HA ASP 20 HA ASP 20 18.916 -5.556 -11.457 142 HB2 ASP 20 HB2 ASP 20 17.294 -4.397 -9.500 143 HB3 ASP 20 HB1 ASP 20 17.544 -3.125 -10.690 144 H LYS 21 HN LYS 21 21.057 -3.567 -9.844 145 HA LYS 21 HA LYS 21 21.301 -1.726 -12.155 146 HB2 LYS 21 HB2 LYS 21 22.367 -0.160 -10.692 147 HB3 LYS 21 HB1 LYS 21 20.898 -0.709 -9.883 148 HG2 LYS 21 HG2 LYS 21 22.372 -2.475 -8.759 149 HG3 LYS 21 HG1 LYS 21 23.747 -1.530 -9.331 150 HD2 LYS 21 HD2 LYS 21 22.499 0.482 -8.238 151 HD3 LYS 21 HD1 LYS 21 21.623 -0.762 -7.347 152 HE2 LYS 21 HE2 LYS 21 23.823 -1.720 -6.625 153 HE3 LYS 21 HE1 LYS 21 24.627 -0.356 -7.402 154 HZ1 LYS 21 HZ1 LYS 21 24.389 0.316 -5.211 155 HZ2 LYS 21 HZ2 LYS 21 22.834 -0.351 -5.058 156 HZ3 LYS 21 HZ3 LYS 21 23.071 1.059 -5.976 157 H VAL 22 HN VAL 22 22.664 -4.428 -10.672 158 HA VAL 22 HA VAL 22 25.196 -4.001 -12.114 159 HB VAL 22 HB VAL 22 25.902 -5.679 -10.122 160 HG11 VAL 22 HG11 VAL 22 26.814 -3.548 -9.011 161 HG12 VAL 22 HG12 VAL 22 25.952 -2.665 -10.270 162 HG13 VAL 22 HG13 VAL 22 27.244 -3.783 -10.706 163 HG21 VAL 22 HG21 VAL 22 24.873 -5.249 -8.111 164 HG22 VAL 22 HG22 VAL 22 23.508 -5.097 -9.199 165 HG23 VAL 22 HG23 VAL 22 24.336 -3.657 -8.622 166 H LYS 23 HN LYS 23 22.924 -6.355 -10.729 167 HA LYS 23 HA LYS 23 23.884 -8.348 -12.684 168 HB2 LYS 23 HB2 LYS 23 22.292 -8.825 -10.167 169 HB3 LYS 23 HB1 LYS 23 23.016 -10.053 -11.205 170 HG2 LYS 23 HG2 LYS 23 24.523 -7.940 -9.635 171 HG3 LYS 23 HG1 LYS 23 24.420 -9.652 -9.223 172 HD2 LYS 23 HD2 LYS 23 25.326 -10.002 -11.668 173 HD3 LYS 23 HD1 LYS 23 25.885 -8.339 -11.491 174 HE2 LYS 23 HE2 LYS 23 26.604 -10.718 -9.770 175 HE3 LYS 23 HE1 LYS 23 27.684 -9.728 -10.751 176 HZ1 LYS 23 HZ1 LYS 23 27.418 -7.908 -9.315 177 HZ2 LYS 23 HZ2 LYS 23 27.650 -9.245 -8.293 178 HZ3 LYS 23 HZ3 LYS 23 26.092 -8.607 -8.521 179 H THR 24 HN THR 24 21.352 -9.860 -11.895 180 HA THR 24 HA THR 24 19.405 -8.308 -13.477 181 HB THR 24 HB THR 24 20.570 -10.013 -14.907 182 HG1 THR 24 HG1 THR 24 18.692 -9.805 -15.804 183 HG21 THR 24 HG21 THR 24 20.602 -12.238 -14.376 184 HG22 THR 24 HG22 THR 24 19.033 -12.172 -13.571 185 HG23 THR 24 HG23 THR 24 20.480 -11.611 -12.733 186 H ASP 25 HN ASP 25 17.452 -10.349 -13.515 187 HA ASP 25 HA ASP 25 16.261 -9.951 -10.962 188 HB2 ASP 25 HB2 ASP 25 15.494 -11.038 -13.526 189 HB3 ASP 25 HB1 ASP 25 14.928 -12.078 -12.219 190 H GLY 26 HN GLY 26 17.679 -12.800 -12.546 191 HA2 GLY 26 HA2 GLY 26 17.177 -14.754 -10.684 192 HA3 GLY 26 HA1 GLY 26 18.657 -14.681 -11.635 193 H TYR 27 HN TYR 27 19.842 -12.394 -10.639 194 HA TYR 27 HA TYR 27 21.057 -13.353 -8.266 195 HB2 TYR 27 HB2 TYR 27 21.228 -10.887 -9.915 196 HB3 TYR 27 HB1 TYR 27 21.838 -10.802 -8.263 197 HD1 TYR 27 HD1 TYR 27 22.043 -12.838 -11.392 198 HD2 TYR 27 HD2 TYR 27 23.950 -11.693 -7.717 199 HE1 TYR 27 HE1 TYR 27 24.104 -14.031 -12.089 200 HE2 TYR 27 HE2 TYR 27 26.010 -12.885 -8.414 201 HH TYR 27 HH TYR 27 26.619 -13.834 -11.526 202 H PHE 28 HN PHE 28 18.737 -10.716 -8.855 203 HA PHE 28 HA PHE 28 18.510 -9.692 -6.294 204 HB2 PHE 28 HB2 PHE 28 17.103 -8.438 -7.520 205 HB3 PHE 28 HB1 PHE 28 16.887 -9.721 -8.712 206 HD1 PHE 28 HD1 PHE 28 15.844 -8.683 -5.273 207 HD2 PHE 28 HD2 PHE 28 14.880 -10.951 -8.790 208 HE1 PHE 28 HE1 PHE 28 13.598 -9.172 -4.342 209 HE2 PHE 28 HE2 PHE 28 12.637 -11.443 -7.859 210 HZ PHE 28 HZ PHE 28 11.995 -10.553 -5.635 211 H TYR 29 HN TYR 29 16.962 -12.557 -7.683 212 HA TYR 29 HA TYR 29 15.312 -13.131 -5.438 213 HB2 TYR 29 HB2 TYR 29 15.624 -14.158 -8.003 214 HB3 TYR 29 HB1 TYR 29 16.140 -15.478 -6.954 215 HD1 TYR 29 HD2 TYR 29 14.607 -16.097 -4.970 216 HD2 TYR 29 HD1 TYR 29 13.333 -13.687 -8.290 217 HE1 TYR 29 HE2 TYR 29 12.240 -16.583 -4.413 218 HE2 TYR 29 HE1 TYR 29 10.965 -14.173 -7.733 219 HH TYR 29 HH TYR 29 9.719 -14.858 -5.446 220 H GLU 30 HN GLU 30 18.507 -14.299 -6.450 221 HA GLU 30 HA GLU 30 18.960 -16.230 -4.523 222 HB2 GLU 30 HB2 GLU 30 20.590 -14.595 -6.291 223 HB3 GLU 30 HB1 GLU 30 21.410 -14.926 -4.766 224 HG2 GLU 30 HG2 GLU 30 21.062 -17.315 -5.033 225 HG3 GLU 30 HG1 GLU 30 20.089 -17.049 -6.479 226 H CYS 31 HN CYS 31 19.618 -12.715 -4.273 227 HA CYS 31 HA CYS 31 20.561 -12.846 -1.608 228 HB2 CYS 31 HB2 CYS 31 20.632 -10.509 -1.717 229 HB3 CYS 31 HB1 CYS 31 20.907 -10.996 -3.375 230 H CYS 32 HN CYS 32 17.414 -12.065 -3.054 231 HA CYS 32 HA CYS 32 16.016 -11.232 -0.826 232 HB2 CYS 32 HB2 CYS 32 15.364 -11.910 -3.428 233 HB3 CYS 32 HB1 CYS 32 14.462 -13.082 -2.471 234 H THR 33 HN THR 33 16.842 -14.518 -1.813 235 HA THR 33 HA THR 33 15.332 -15.737 0.334 236 HB THR 33 HB THR 33 16.312 -17.833 -0.465 237 HG1 THR 33 HG1 THR 33 18.182 -16.142 -1.370 238 HG21 THR 33 HG21 THR 33 15.180 -15.872 -2.437 239 HG22 THR 33 HG22 THR 33 14.444 -17.320 -1.756 240 HG23 THR 33 HG23 THR 33 15.691 -17.464 -2.994 241 H SER 34 HN SER 34 18.752 -15.125 -0.396 242 HA SER 34 HA SER 34 19.697 -16.281 2.059 243 HB2 SER 34 HB2 SER 34 21.030 -14.476 0.030 244 HB3 SER 34 HB1 SER 34 21.857 -15.191 1.411 245 HG SER 34 HG SER 34 20.954 -16.339 -0.941 246 H ASP 35 HN ASP 35 20.570 -15.180 3.855 247 HA ASP 35 HA ASP 35 19.248 -12.634 4.417 248 HB2 ASP 35 HB2 ASP 35 20.696 -13.290 6.665 249 HB3 ASP 35 HB1 ASP 35 19.011 -13.722 6.377 250 H SER 36 HN SER 36 22.533 -13.956 4.912 251 HA SER 36 HA SER 36 23.935 -11.717 5.524 252 HB2 SER 36 HB2 SER 36 24.843 -14.063 5.174 253 HB3 SER 36 HB1 SER 36 24.936 -13.678 3.457 254 HG SER 36 HG SER 36 25.979 -11.671 4.887 255 H THR 37 HN THR 37 23.663 -12.837 2.143 256 HA THR 37 HA THR 37 24.695 -10.701 0.815 257 HB THR 37 HB THR 37 22.113 -11.842 -0.184 258 HG1 THR 37 HG1 THR 37 23.792 -13.375 0.896 259 HG21 THR 37 HG21 THR 37 23.463 -10.217 -1.519 260 HG22 THR 37 HG22 THR 37 23.296 -11.787 -2.311 261 HG23 THR 37 HG23 THR 37 24.803 -11.364 -1.492 262 H PHE 38 HN PHE 38 21.225 -11.003 1.616 263 HA PHE 38 HA PHE 38 20.409 -8.480 0.800 264 HB2 PHE 38 HB2 PHE 38 18.626 -9.829 1.368 265 HB3 PHE 38 HB1 PHE 38 19.413 -10.437 2.824 266 HD1 PHE 38 HD1 PHE 38 18.248 -7.164 1.391 267 HD2 PHE 38 HD2 PHE 38 18.623 -9.652 4.875 268 HE1 PHE 38 HE1 PHE 38 17.063 -5.455 2.742 269 HE2 PHE 38 HE2 PHE 38 17.440 -7.943 6.223 270 HZ PHE 38 HZ PHE 38 16.660 -5.844 5.158 271 H LYS 39 HN LYS 39 22.091 -9.452 3.711 272 HA LYS 39 HA LYS 39 21.669 -7.061 5.196 273 HB2 LYS 39 HB2 LYS 39 22.595 -9.423 5.924 274 HB3 LYS 39 HB1 LYS 39 24.153 -8.699 5.524 275 HG2 LYS 39 HG2 LYS 39 23.443 -6.718 6.982 276 HG3 LYS 39 HG1 LYS 39 22.135 -7.749 7.562 277 HD2 LYS 39 HD2 LYS 39 23.941 -9.487 8.094 278 HD3 LYS 39 HD1 LYS 39 25.113 -8.194 7.836 279 HE2 LYS 39 HE2 LYS 39 23.586 -6.851 9.497 280 HE3 LYS 39 HE1 LYS 39 23.023 -8.451 9.979 281 HZ1 LYS 39 HZ1 LYS 39 25.895 -7.745 9.833 282 HZ2 LYS 39 HZ2 LYS 39 25.186 -9.093 10.587 283 HZ3 LYS 39 HZ3 LYS 39 24.977 -7.538 11.243 284 H LYS 40 HN LYS 40 23.804 -7.929 2.610 285 HA LYS 40 HA LYS 40 25.578 -5.659 3.081 286 HB2 LYS 40 HB2 LYS 40 26.214 -8.026 2.146 287 HB3 LYS 40 HB1 LYS 40 25.651 -7.360 0.612 288 HG2 LYS 40 HG2 LYS 40 27.194 -5.435 0.904 289 HG3 LYS 40 HG1 LYS 40 27.790 -6.161 2.396 290 HD2 LYS 40 HD2 LYS 40 28.593 -8.114 1.180 291 HD3 LYS 40 HD1 LYS 40 27.896 -7.503 -0.321 292 HE2 LYS 40 HE2 LYS 40 29.437 -5.700 -0.433 293 HE3 LYS 40 HE1 LYS 40 29.929 -5.914 1.248 294 HZ1 LYS 40 HZ1 LYS 40 30.667 -8.223 0.476 295 HZ2 LYS 40 HZ2 LYS 40 31.632 -6.892 0.049 296 HZ3 LYS 40 HZ3 LYS 40 30.582 -7.586 -1.093 297 H CYS 41 HN CYS 41 23.132 -6.717 0.747 298 HA CYS 41 HA CYS 41 23.385 -4.565 -1.054 299 HB2 CYS 41 HB2 CYS 41 21.332 -6.628 -0.463 300 HB3 CYS 41 HB1 CYS 41 20.795 -5.200 -1.349 301 H GLN 42 HN GLN 42 21.060 -5.050 1.610 302 HA GLN 42 HA GLN 42 19.665 -2.683 1.456 303 HB2 GLN 42 HB2 GLN 42 19.013 -3.031 3.694 304 HB3 GLN 42 HB1 GLN 42 19.370 -4.650 3.090 305 HG2 GLN 42 HG2 GLN 42 21.743 -4.296 3.994 306 HG3 GLN 42 HG1 GLN 42 21.093 -2.903 4.859 307 HE21 GLN 42 HE21 GLN 42 21.278 -3.823 6.978 308 HE22 GLN 42 HE22 GLN 42 20.345 -5.153 7.472 309 H ASP 43 HN ASP 43 22.818 -3.258 2.939 310 HA ASP 43 HA ASP 43 23.185 -0.778 4.179 311 HB2 ASP 43 HB2 ASP 43 24.667 -2.981 4.089 312 HB3 ASP 43 HB1 ASP 43 25.502 -2.083 2.822 313 H LEU 44 HN LEU 44 23.340 -1.694 0.820 314 HA LEU 44 HA LEU 44 24.691 0.725 -0.018 315 HB2 LEU 44 HB2 LEU 44 23.233 -1.370 -1.653 316 HB3 LEU 44 HB1 LEU 44 24.283 -0.113 -2.296 317 HG LEU 44 HG LEU 44 25.137 -2.280 -0.349 318 HD11 LEU 44 HD11 LEU 44 26.563 -2.907 -2.427 319 HD12 LEU 44 HD12 LEU 44 25.393 -1.951 -3.334 320 HD13 LEU 44 HD13 LEU 44 24.860 -3.365 -2.424 321 HD21 LEU 44 HD21 LEU 44 26.662 -0.607 0.092 322 HD22 LEU 44 HD22 LEU 44 26.440 0.159 -1.480 323 HD23 LEU 44 HD23 LEU 44 27.430 -1.292 -1.337 324 H LEU 45 HN LEU 45 21.438 -0.616 -0.605 325 HA LEU 45 HA LEU 45 20.449 1.893 -1.557 326 HB2 LEU 45 HB2 LEU 45 19.121 -0.715 -0.805 327 HB3 LEU 45 HB1 LEU 45 18.194 0.674 -1.367 328 HG LEU 45 HG LEU 45 18.712 -0.876 -3.229 329 HD11 LEU 45 HD11 LEU 45 18.907 1.821 -3.277 330 HD12 LEU 45 HD12 LEU 45 19.104 0.820 -4.707 331 HD13 LEU 45 HD13 LEU 45 20.521 1.391 -3.833 332 HD21 LEU 45 HD21 LEU 45 20.912 -1.464 -3.826 333 HD22 LEU 45 HD22 LEU 45 20.903 -1.584 -2.066 334 HD23 LEU 45 HD23 LEU 45 21.613 -0.169 -2.859 335 H HIS 46 HN HIS 46 19.617 -0.015 1.319 336 HA HIS 46 HA HIS 46 19.695 2.258 3.033 337 HB2 HIS 46 HB2 HIS 46 17.464 2.376 1.573 338 HB3 HIS 46 HB1 HIS 46 16.901 1.257 2.814 339 HD1 HIS 46 HD1 HIS 46 15.639 2.606 4.491 340 HD2 HIS 46 HD2 HIS 46 19.118 4.549 3.266 341 HE1 HIS 46 HE1 HIS 46 15.807 4.717 5.880 Start of MODEL 15 1 HA ALA 1 HA ALA 1 12.916 -19.158 7.169 2 HB1 ALA 1 HB1 ALA 1 14.611 -20.313 5.608 3 HB2 ALA 1 HB2 ALA 1 13.800 -18.876 4.985 4 HB3 ALA 1 HB3 ALA 1 13.269 -20.478 4.476 5 H ASP 2 HN ASP 2 11.166 -17.934 6.779 6 HA ASP 2 HA ASP 2 9.173 -18.674 4.820 7 HB2 ASP 2 HB2 ASP 2 7.350 -19.074 6.254 8 HB3 ASP 2 HB1 ASP 2 8.663 -20.007 6.968 9 H ASN 3 HN ASN 3 10.888 -16.447 5.137 10 HA ASN 3 HA ASN 3 8.981 -14.317 4.948 11 HB2 ASN 3 HB2 ASN 3 9.503 -14.761 7.505 12 HB3 ASN 3 HB1 ASN 3 10.962 -13.843 7.135 13 HD21 ASN 3 HD21 ASN 3 10.605 -11.716 7.789 14 HD22 ASN 3 HD22 ASN 3 9.184 -10.837 7.490 15 H LYS 4 HN LYS 4 9.823 -13.596 3.074 16 HA LYS 4 HA LYS 4 12.513 -12.442 3.151 17 HB2 LYS 4 HB2 LYS 4 12.867 -13.491 0.799 18 HB3 LYS 4 HB1 LYS 4 13.145 -14.497 2.220 19 HG2 LYS 4 HG2 LYS 4 11.243 -15.758 1.874 20 HG3 LYS 4 HG1 LYS 4 10.382 -14.436 1.085 21 HD2 LYS 4 HD2 LYS 4 11.633 -14.722 -0.946 22 HD3 LYS 4 HD1 LYS 4 12.751 -15.845 -0.168 23 HE2 LYS 4 HE2 LYS 4 10.878 -17.430 0.197 24 HE3 LYS 4 HE1 LYS 4 9.791 -16.319 -0.637 25 HZ1 LYS 4 HZ1 LYS 4 10.715 -16.765 -2.645 26 HZ2 LYS 4 HZ2 LYS 4 11.017 -18.259 -1.895 27 HZ3 LYS 4 HZ3 LYS 4 12.251 -17.097 -2.007 28 H CYS 5 HN CYS 5 11.166 -13.041 0.069 29 HA CYS 5 HA CYS 5 10.879 -10.283 -0.535 30 HB2 CYS 5 HB2 CYS 5 10.294 -12.858 -1.915 31 HB3 CYS 5 HB1 CYS 5 9.488 -11.410 -2.522 32 H GLU 6 HN GLU 6 9.060 -11.998 1.510 33 HA GLU 6 HA GLU 6 6.515 -10.729 0.700 34 HB2 GLU 6 HB2 GLU 6 5.375 -12.409 1.966 35 HB3 GLU 6 HB1 GLU 6 6.566 -13.238 0.965 36 HG2 GLU 6 HG2 GLU 6 8.115 -12.878 3.083 37 HG3 GLU 6 HG1 GLU 6 6.569 -12.776 3.923 38 H ASN 7 HN ASN 7 9.003 -9.824 2.383 39 HA ASN 7 HA ASN 7 7.845 -9.287 4.975 40 HB2 ASN 7 HB2 ASN 7 10.260 -9.625 4.746 41 HB3 ASN 7 HB1 ASN 7 10.367 -8.235 3.672 42 HD21 ASN 7 HD21 ASN 7 11.926 -8.011 5.894 43 HD22 ASN 7 HD22 ASN 7 11.232 -6.965 7.035 44 H SER 8 HN SER 8 9.483 -6.781 3.153 45 HA SER 8 HA SER 8 6.992 -5.229 2.975 46 HB2 SER 8 HB2 SER 8 9.430 -3.770 3.833 47 HB3 SER 8 HB1 SER 8 7.743 -3.477 4.240 48 HG SER 8 HG SER 8 8.166 -5.752 5.288 49 H LEU 9 HN LEU 9 7.209 -3.343 1.551 50 HA LEU 9 HA LEU 9 8.420 -4.005 -0.908 51 HB2 LEU 9 HB2 LEU 9 7.764 -1.161 -0.286 52 HB3 LEU 9 HB1 LEU 9 7.415 -2.101 -1.735 53 HG LEU 9 HG LEU 9 5.918 -3.490 0.013 54 HD11 LEU 9 HD11 LEU 9 5.095 -2.244 1.796 55 HD12 LEU 9 HD12 LEU 9 5.471 -0.704 1.025 56 HD13 LEU 9 HD13 LEU 9 6.758 -1.661 1.751 57 HD21 LEU 9 HD21 LEU 9 5.202 -0.913 -1.403 58 HD22 LEU 9 HD22 LEU 9 4.009 -2.001 -0.694 59 HD23 LEU 9 HD23 LEU 9 5.030 -2.557 -2.018 60 H ARG 10 HN ARG 10 9.424 -1.919 1.754 61 HA ARG 10 HA ARG 10 11.535 -0.562 0.577 62 HB2 ARG 10 HB2 ARG 10 11.047 -1.542 3.372 63 HB3 ARG 10 HB1 ARG 10 12.552 -0.723 2.960 64 HG2 ARG 10 HG2 ARG 10 11.284 1.209 2.130 65 HG3 ARG 10 HG1 ARG 10 9.769 0.386 2.493 66 HD2 ARG 10 HD2 ARG 10 11.651 0.504 4.756 67 HD3 ARG 10 HD1 ARG 10 11.070 2.077 4.218 68 HE ARG 10 HE ARG 10 8.880 0.298 4.432 69 HH11 ARG 10 HH21 ARG 10 11.208 2.002 6.339 70 HH12 ARG 10 HH22 ARG 10 10.178 2.140 7.725 71 HH21 ARG 10 HH11 ARG 10 7.522 0.474 6.244 72 HH22 ARG 10 HH12 ARG 10 8.090 1.274 7.671 73 H ARG 11 HN ARG 11 11.941 -3.447 2.600 74 HA ARG 11 HA ARG 11 14.564 -4.029 1.986 75 HB2 ARG 11 HB2 ARG 11 13.108 -6.500 2.164 76 HB3 ARG 11 HB1 ARG 11 14.159 -5.749 3.364 77 HG2 ARG 11 HG2 ARG 11 11.253 -4.971 2.948 78 HG3 ARG 11 HG1 ARG 11 11.795 -6.114 4.157 79 HD2 ARG 11 HD2 ARG 11 13.305 -3.573 4.159 80 HD3 ARG 11 HD1 ARG 11 11.611 -3.424 4.602 81 HE ARG 11 HE ARG 11 12.534 -5.559 6.064 82 HH11 ARG 11 HH21 ARG 11 13.400 -2.239 5.613 83 HH12 ARG 11 HH22 ARG 11 14.025 -2.040 7.215 84 HH21 ARG 11 HH11 ARG 11 13.353 -5.306 8.168 85 HH22 ARG 11 HH12 ARG 11 14.000 -3.777 8.662 86 H GLU 12 HN GLU 12 11.639 -5.084 0.269 87 HA GLU 12 HA GLU 12 12.889 -6.722 -1.640 88 HB2 GLU 12 HB2 GLU 12 10.357 -5.065 -1.796 89 HB3 GLU 12 HB1 GLU 12 10.843 -6.228 -3.031 90 HG2 GLU 12 HG2 GLU 12 10.575 -8.060 -1.598 91 HG3 GLU 12 HG1 GLU 12 10.708 -7.068 -0.147 92 H ILE 13 HN ILE 13 11.896 -3.304 -1.942 93 HA ILE 13 HA ILE 13 12.944 -2.850 -4.493 94 HB ILE 13 HB ILE 13 12.607 -0.960 -2.162 95 HG12 ILE 13 HG12 ILE 13 10.908 -1.126 -4.647 96 HG13 ILE 13 HG11 ILE 13 10.616 -2.228 -3.301 97 HG21 ILE 13 HG21 ILE 13 12.606 0.775 -4.038 98 HG22 ILE 13 HG22 ILE 13 13.279 -0.482 -5.072 99 HG23 ILE 13 HG23 ILE 13 14.173 0.066 -3.657 100 HD11 ILE 13 HD11 ILE 13 9.335 0.039 -3.355 101 HD12 ILE 13 HD12 ILE 13 10.861 0.732 -2.813 102 HD13 ILE 13 HD13 ILE 13 10.049 -0.487 -1.831 103 H ALA 14 HN ALA 14 14.462 -2.657 -1.310 104 HA ALA 14 HA ALA 14 16.881 -1.481 -1.958 105 HB1 ALA 14 HB1 ALA 14 17.797 -2.538 -0.019 106 HB2 ALA 14 HB2 ALA 14 16.527 -3.734 -0.046 107 HB3 ALA 14 HB3 ALA 14 16.129 -2.070 0.331 108 H CYS 15 HN CYS 15 16.536 -4.967 -1.509 109 HA CYS 15 HA CYS 15 18.884 -5.640 -2.894 110 HB2 CYS 15 HB2 CYS 15 16.937 -7.002 -1.426 111 HB3 CYS 15 HB1 CYS 15 16.960 -7.782 -3.014 112 H GLY 16 HN GLY 16 15.647 -5.010 -3.968 113 HA2 GLY 16 HA2 GLY 16 15.685 -6.306 -6.468 114 HA3 GLY 16 HA1 GLY 16 14.696 -4.904 -6.060 115 H GLN 17 HN GLN 17 15.889 -2.775 -6.045 116 HA GLN 17 HA GLN 17 16.980 -2.214 -8.542 117 HB2 GLN 17 HB2 GLN 17 17.279 -0.697 -5.953 118 HB3 GLN 17 HB1 GLN 17 17.696 -0.063 -7.546 119 HG2 GLN 17 HG2 GLN 17 15.012 -1.245 -7.431 120 HG3 GLN 17 HG1 GLN 17 15.213 0.143 -6.363 121 HE21 GLN 17 HE21 GLN 17 14.025 -0.446 -9.302 122 HE22 GLN 17 HE22 GLN 17 14.537 0.936 -10.146 123 H CYS 18 HN CYS 18 18.541 -3.091 -5.509 124 HA CYS 18 HA CYS 18 21.167 -2.429 -6.048 125 HB2 CYS 18 HB2 CYS 18 20.449 -3.304 -3.882 126 HB3 CYS 18 HB1 CYS 18 20.135 -4.870 -4.614 127 H ARG 19 HN ARG 19 20.251 -5.841 -6.181 128 HA ARG 19 HA ARG 19 22.302 -6.614 -7.877 129 HB2 ARG 19 HB2 ARG 19 19.558 -7.856 -7.561 130 HB3 ARG 19 HB1 ARG 19 20.939 -8.651 -8.295 131 HG2 ARG 19 HG2 ARG 19 20.850 -7.601 -5.451 132 HG3 ARG 19 HG1 ARG 19 20.663 -9.294 -5.910 133 HD2 ARG 19 HD2 ARG 19 22.920 -9.316 -5.514 134 HD3 ARG 19 HD1 ARG 19 22.975 -8.773 -7.186 135 HE ARG 19 HE ARG 19 22.843 -6.428 -5.936 136 HH11 ARG 19 HH21 ARG 19 24.675 -9.285 -5.262 137 HH12 ARG 19 HH22 ARG 19 25.997 -8.433 -4.542 138 HH21 ARG 19 HH11 ARG 19 24.574 -5.303 -4.989 139 HH22 ARG 19 HH12 ARG 19 25.941 -6.180 -4.388 140 H ASP 20 HN ASP 20 19.252 -5.171 -8.653 141 HA ASP 20 HA ASP 20 19.297 -5.853 -11.436 142 HB2 ASP 20 HB2 ASP 20 17.701 -3.880 -9.842 143 HB3 ASP 20 HB1 ASP 20 17.502 -4.068 -11.570 144 H LYS 21 HN LYS 21 21.019 -3.655 -9.546 145 HA LYS 21 HA LYS 21 21.428 -1.777 -11.773 146 HB2 LYS 21 HB2 LYS 21 22.006 -1.691 -8.826 147 HB3 LYS 21 HB1 LYS 21 22.848 -0.620 -9.933 148 HG2 LYS 21 HG2 LYS 21 19.960 -0.699 -10.433 149 HG3 LYS 21 HG1 LYS 21 20.344 -0.163 -8.803 150 HD2 LYS 21 HD2 LYS 21 21.971 1.473 -9.773 151 HD3 LYS 21 HD1 LYS 21 21.422 0.995 -11.380 152 HE2 LYS 21 HE2 LYS 21 20.233 3.020 -10.633 153 HE3 LYS 21 HE1 LYS 21 19.111 1.666 -10.774 154 HZ1 LYS 21 HZ1 LYS 21 19.737 3.201 -8.498 155 HZ2 LYS 21 HZ2 LYS 21 20.179 1.585 -8.211 156 HZ3 LYS 21 HZ3 LYS 21 18.586 1.967 -8.660 157 H VAL 22 HN VAL 22 22.980 -4.269 -9.914 158 HA VAL 22 HA VAL 22 25.478 -3.852 -11.466 159 HB VAL 22 HB VAL 22 25.999 -5.641 -9.401 160 HG11 VAL 22 HG11 VAL 22 26.477 -2.663 -9.686 161 HG12 VAL 22 HG12 VAL 22 27.569 -3.954 -10.186 162 HG13 VAL 22 HG13 VAL 22 27.275 -3.661 -8.471 163 HG21 VAL 22 HG21 VAL 22 25.185 -4.633 -7.412 164 HG22 VAL 22 HG22 VAL 22 23.800 -4.905 -8.446 165 HG23 VAL 22 HG23 VAL 22 24.482 -3.275 -8.302 166 H LYS 23 HN LYS 23 23.762 -6.545 -9.862 167 HA LYS 23 HA LYS 23 24.745 -8.386 -11.857 168 HB2 LYS 23 HB2 LYS 23 22.835 -8.894 -9.582 169 HB3 LYS 23 HB1 LYS 23 23.692 -10.116 -10.512 170 HG2 LYS 23 HG2 LYS 23 24.997 -7.969 -8.809 171 HG3 LYS 23 HG1 LYS 23 24.817 -9.662 -8.350 172 HD2 LYS 23 HD2 LYS 23 26.005 -10.035 -10.720 173 HD3 LYS 23 HD1 LYS 23 26.637 -8.427 -10.369 174 HE2 LYS 23 HE2 LYS 23 27.291 -9.330 -8.074 175 HE3 LYS 23 HE1 LYS 23 26.931 -10.937 -8.708 176 HZ1 LYS 23 HZ1 LYS 23 28.632 -9.243 -10.351 177 HZ2 LYS 23 HZ2 LYS 23 28.724 -10.913 -10.050 178 HZ3 LYS 23 HZ3 LYS 23 29.316 -9.805 -8.905 179 H THR 24 HN THR 24 21.877 -9.647 -11.047 180 HA THR 24 HA THR 24 20.240 -8.248 -13.023 181 HB THR 24 HB THR 24 21.461 -9.889 -14.371 182 HG1 THR 24 HG1 THR 24 19.026 -11.159 -14.129 183 HG21 THR 24 HG21 THR 24 20.214 -12.229 -13.099 184 HG22 THR 24 HG22 THR 24 21.429 -11.433 -12.098 185 HG23 THR 24 HG23 THR 24 21.856 -12.019 -13.706 186 H ASP 25 HN ASP 25 18.190 -10.028 -13.272 187 HA ASP 25 HA ASP 25 16.812 -9.720 -10.813 188 HB2 ASP 25 HB2 ASP 25 16.122 -11.443 -13.200 189 HB3 ASP 25 HB1 ASP 25 15.019 -11.006 -11.897 190 H GLY 26 HN GLY 26 18.388 -12.475 -12.374 191 HA2 GLY 26 HA2 GLY 26 17.550 -14.552 -10.734 192 HA3 GLY 26 HA1 GLY 26 19.128 -14.481 -11.513 193 H TYR 27 HN TYR 27 20.154 -12.198 -10.214 194 HA TYR 27 HA TYR 27 21.121 -13.363 -7.798 195 HB2 TYR 27 HB2 TYR 27 21.592 -10.911 -9.350 196 HB3 TYR 27 HB1 TYR 27 21.806 -10.728 -7.611 197 HD1 TYR 27 HD1 TYR 27 22.861 -12.703 -10.575 198 HD2 TYR 27 HD2 TYR 27 23.649 -11.731 -6.466 199 HE1 TYR 27 HE1 TYR 27 25.045 -13.869 -10.719 200 HE2 TYR 27 HE2 TYR 27 25.833 -12.897 -6.609 201 HH TYR 27 HH TYR 27 27.191 -14.104 -7.878 202 H PHE 28 HN PHE 28 18.866 -10.705 -8.506 203 HA PHE 28 HA PHE 28 18.358 -9.731 -5.982 204 HB2 PHE 28 HB2 PHE 28 17.054 -8.557 -7.412 205 HB3 PHE 28 HB1 PHE 28 16.844 -9.931 -8.492 206 HD1 PHE 28 HD1 PHE 28 15.839 -8.768 -5.074 207 HD2 PHE 28 HD2 PHE 28 14.758 -10.988 -8.590 208 HE1 PHE 28 HE1 PHE 28 13.579 -9.163 -4.131 209 HE2 PHE 28 HE2 PHE 28 12.500 -11.381 -7.647 210 HZ PHE 28 HZ PHE 28 11.910 -10.469 -5.418 211 H TYR 29 HN TYR 29 16.787 -12.539 -7.529 212 HA TYR 29 HA TYR 29 15.129 -13.233 -5.355 213 HB2 TYR 29 HB2 TYR 29 15.090 -14.105 -7.783 214 HB3 TYR 29 HB1 TYR 29 16.319 -15.251 -7.247 215 HD1 TYR 29 HD1 TYR 29 12.861 -14.038 -6.589 216 HD2 TYR 29 HD2 TYR 29 15.750 -17.147 -5.926 217 HE1 TYR 29 HE1 TYR 29 11.096 -15.465 -5.589 218 HE2 TYR 29 HE2 TYR 29 13.985 -18.574 -4.927 219 HH TYR 29 HH TYR 29 10.723 -17.970 -5.268 220 H GLU 30 HN GLU 30 18.355 -14.420 -6.289 221 HA GLU 30 HA GLU 30 18.757 -16.304 -4.287 222 HB2 GLU 30 HB2 GLU 30 20.385 -14.864 -6.164 223 HB3 GLU 30 HB1 GLU 30 21.209 -14.925 -4.608 224 HG2 GLU 30 HG2 GLU 30 20.968 -17.342 -4.519 225 HG3 GLU 30 HG1 GLU 30 20.001 -17.334 -5.992 226 H CYS 31 HN CYS 31 19.138 -12.787 -4.150 227 HA CYS 31 HA CYS 31 20.266 -12.705 -1.535 228 HB2 CYS 31 HB2 CYS 31 20.596 -10.632 -2.351 229 HB3 CYS 31 HB1 CYS 31 19.296 -10.799 -3.528 230 H CYS 32 HN CYS 32 16.973 -11.901 -2.678 231 HA CYS 32 HA CYS 32 15.664 -11.398 -0.369 232 HB2 CYS 32 HB2 CYS 32 14.865 -12.020 -2.913 233 HB3 CYS 32 HB1 CYS 32 14.195 -13.364 -1.987 234 H THR 33 HN THR 33 16.774 -14.556 -1.461 235 HA THR 33 HA THR 33 15.496 -15.989 0.704 236 HB THR 33 HB THR 33 16.685 -17.935 -0.172 237 HG1 THR 33 HG1 THR 33 18.340 -16.032 -1.058 238 HG21 THR 33 HG21 THR 33 15.431 -16.083 -2.205 239 HG22 THR 33 HG22 THR 33 14.684 -17.440 -1.361 240 HG23 THR 33 HG23 THR 33 15.903 -17.735 -2.600 241 H SER 34 HN SER 34 18.804 -14.980 -0.119 242 HA SER 34 HA SER 34 19.842 -15.969 2.409 243 HB2 SER 34 HB2 SER 34 21.029 -15.789 0.048 244 HB3 SER 34 HB1 SER 34 21.414 -14.166 0.616 245 HG SER 34 HG SER 34 22.503 -16.518 1.314 246 H ASP 35 HN ASP 35 20.723 -14.679 4.056 247 HA ASP 35 HA ASP 35 19.442 -12.063 4.319 248 HB2 ASP 35 HB2 ASP 35 19.397 -13.788 6.163 249 HB3 ASP 35 HB1 ASP 35 21.129 -13.523 6.355 250 H SER 36 HN SER 36 22.705 -13.389 4.931 251 HA SER 36 HA SER 36 24.165 -11.139 5.301 252 HB2 SER 36 HB2 SER 36 24.914 -13.511 3.577 253 HB3 SER 36 HB1 SER 36 26.053 -12.291 4.139 254 HG SER 36 HG SER 36 25.325 -14.427 5.410 255 H THR 37 HN THR 37 23.601 -12.535 2.055 256 HA THR 37 HA THR 37 24.726 -10.577 0.498 257 HB THR 37 HB THR 37 22.079 -11.840 -0.205 258 HG1 THR 37 HG1 THR 37 24.487 -12.991 0.376 259 HG21 THR 37 HG21 THR 37 23.344 -10.098 -1.663 260 HG22 THR 37 HG22 THR 37 22.788 -11.587 -2.431 261 HG23 THR 37 HG23 THR 37 24.481 -11.412 -1.968 262 H PHE 38 HN PHE 38 21.301 -10.663 1.507 263 HA PHE 38 HA PHE 38 20.528 -8.199 0.468 264 HB2 PHE 38 HB2 PHE 38 18.616 -9.045 1.288 265 HB3 PHE 38 HB1 PHE 38 19.488 -10.110 2.390 266 HD1 PHE 38 HD1 PHE 38 18.544 -6.508 1.952 267 HD2 PHE 38 HD2 PHE 38 19.408 -9.698 4.696 268 HE1 PHE 38 HE1 PHE 38 17.935 -5.038 3.853 269 HE2 PHE 38 HE2 PHE 38 18.798 -8.228 6.597 270 HZ PHE 38 HZ PHE 38 18.062 -5.898 6.176 271 H LYS 39 HN LYS 39 22.406 -8.950 3.307 272 HA LYS 39 HA LYS 39 22.117 -6.417 4.594 273 HB2 LYS 39 HB2 LYS 39 23.109 -8.827 5.369 274 HB3 LYS 39 HB1 LYS 39 24.602 -7.937 5.067 275 HG2 LYS 39 HG2 LYS 39 23.734 -6.083 6.503 276 HG3 LYS 39 HG1 LYS 39 22.330 -7.081 6.882 277 HD2 LYS 39 HD2 LYS 39 23.722 -8.766 7.915 278 HD3 LYS 39 HD1 LYS 39 25.190 -7.946 7.381 279 HE2 LYS 39 HE2 LYS 39 24.650 -7.492 9.778 280 HE3 LYS 39 HE1 LYS 39 24.685 -6.027 8.796 281 HZ1 LYS 39 HZ1 LYS 39 22.461 -5.752 8.956 282 HZ2 LYS 39 HZ2 LYS 39 22.685 -6.608 10.407 283 HZ3 LYS 39 HZ3 LYS 39 22.131 -7.414 9.018 284 H LYS 40 HN LYS 40 23.996 -7.565 1.956 285 HA LYS 40 HA LYS 40 25.946 -5.402 2.145 286 HB2 LYS 40 HB2 LYS 40 26.505 -7.759 1.359 287 HB3 LYS 40 HB1 LYS 40 25.615 -7.378 -0.115 288 HG2 LYS 40 HG2 LYS 40 27.092 -5.429 -0.497 289 HG3 LYS 40 HG1 LYS 40 27.994 -5.836 0.963 290 HD2 LYS 40 HD2 LYS 40 27.720 -8.134 -0.812 291 HD3 LYS 40 HD1 LYS 40 28.526 -6.780 -1.607 292 HE2 LYS 40 HE2 LYS 40 30.140 -6.622 0.220 293 HE3 LYS 40 HE1 LYS 40 29.301 -7.897 1.104 294 HZ1 LYS 40 HZ1 LYS 40 30.467 -8.256 -1.600 295 HZ2 LYS 40 HZ2 LYS 40 29.841 -9.463 -0.582 296 HZ3 LYS 40 HZ3 LYS 40 31.277 -8.658 -0.164 297 H CYS 41 HN CYS 41 23.112 -6.313 0.273 298 HA CYS 41 HA CYS 41 23.399 -4.203 -1.662 299 HB2 CYS 41 HB2 CYS 41 21.396 -6.303 -1.038 300 HB3 CYS 41 HB1 CYS 41 20.813 -4.867 -1.877 301 H GLN 42 HN GLN 42 21.567 -4.663 1.327 302 HA GLN 42 HA GLN 42 19.919 -2.425 1.236 303 HB2 GLN 42 HB2 GLN 42 19.562 -2.760 3.514 304 HB3 GLN 42 HB1 GLN 42 20.108 -4.354 2.997 305 HG2 GLN 42 HG2 GLN 42 22.469 -3.600 3.610 306 HG3 GLN 42 HG1 GLN 42 21.723 -2.214 4.408 307 HE21 GLN 42 HE21 GLN 42 23.059 -3.724 6.159 308 HE22 GLN 42 HE22 GLN 42 22.027 -4.728 7.057 309 H ASP 43 HN ASP 43 23.330 -2.726 2.036 310 HA ASP 43 HA ASP 43 23.641 -0.081 3.091 311 HB2 ASP 43 HB2 ASP 43 25.252 -1.869 3.581 312 HB3 ASP 43 HB1 ASP 43 25.687 -1.954 1.876 313 H LEU 44 HN LEU 44 23.668 -1.475 -0.117 314 HA LEU 44 HA LEU 44 24.954 0.680 -1.456 315 HB2 LEU 44 HB2 LEU 44 23.689 -1.817 -2.167 316 HB3 LEU 44 HB1 LEU 44 23.180 -0.540 -3.263 317 HG LEU 44 HG LEU 44 26.063 -1.094 -2.532 318 HD11 LEU 44 HD11 LEU 44 24.254 -2.312 -4.516 319 HD12 LEU 44 HD12 LEU 44 25.787 -2.906 -3.879 320 HD13 LEU 44 HD13 LEU 44 25.775 -1.725 -5.188 321 HD21 LEU 44 HD21 LEU 44 25.666 0.238 -5.038 322 HD22 LEU 44 HD22 LEU 44 26.471 0.851 -3.594 323 HD23 LEU 44 HD23 LEU 44 24.739 1.095 -3.807 324 H LEU 45 HN LEU 45 21.509 -0.208 -1.151 325 HA LEU 45 HA LEU 45 20.657 2.268 -2.318 326 HB2 LEU 45 HB2 LEU 45 19.308 -0.122 -1.115 327 HB3 LEU 45 HB1 LEU 45 18.372 1.359 -1.293 328 HG LEU 45 HG LEU 45 18.146 -0.129 -3.275 329 HD11 LEU 45 HD11 LEU 45 19.716 2.033 -4.461 330 HD12 LEU 45 HD12 LEU 45 18.553 2.589 -3.255 331 HD13 LEU 45 HD13 LEU 45 18.005 1.661 -4.645 332 HD21 LEU 45 HD21 LEU 45 20.055 -0.559 -4.708 333 HD22 LEU 45 HD22 LEU 45 20.421 -1.119 -3.075 334 HD23 LEU 45 HD23 LEU 45 21.099 0.403 -3.668 335 H HIS 46 HN HIS 46 20.617 0.898 0.943 336 HA HIS 46 HA HIS 46 20.181 1.908 2.981 337 HB2 HIS 46 HB2 HIS 46 22.507 2.677 2.310 338 HB3 HIS 46 HB1 HIS 46 21.764 4.191 1.795 339 HD1 HIS 46 HD1 HIS 46 21.426 5.915 3.577 340 HD2 HIS 46 HD2 HIS 46 21.930 2.105 5.192 341 HE1 HIS 46 HE1 HIS 46 21.497 6.206 6.091 Start of MODEL 16 1 HA ALA 1 HA ALA 1 7.293 -19.038 3.688 2 HB1 ALA 1 HB1 ALA 1 10.033 -20.158 3.829 3 HB2 ALA 1 HB2 ALA 1 9.216 -20.339 2.276 4 HB3 ALA 1 HB3 ALA 1 8.479 -20.990 3.741 5 H ASP 2 HN ASP 2 10.423 -17.406 3.758 6 HA ASP 2 HA ASP 2 10.162 -17.079 6.684 7 HB2 ASP 2 HB2 ASP 2 12.548 -16.639 6.714 8 HB3 ASP 2 HB1 ASP 2 12.248 -18.158 5.872 9 H ASN 3 HN ASN 3 12.291 -14.919 6.311 10 HA ASN 3 HA ASN 3 10.385 -12.735 5.775 11 HB2 ASN 3 HB2 ASN 3 13.006 -12.737 7.289 12 HB3 ASN 3 HB1 ASN 3 11.962 -11.334 7.062 13 HD21 ASN 3 HD21 ASN 3 10.382 -11.023 8.644 14 HD22 ASN 3 HD22 ASN 3 9.871 -12.211 9.743 15 H LYS 4 HN LYS 4 10.752 -13.157 3.436 16 HA LYS 4 HA LYS 4 13.274 -11.925 2.493 17 HB2 LYS 4 HB2 LYS 4 12.804 -13.170 0.351 18 HB3 LYS 4 HB1 LYS 4 13.176 -14.193 1.726 19 HG2 LYS 4 HG2 LYS 4 10.906 -14.795 2.052 20 HG3 LYS 4 HG1 LYS 4 10.322 -13.493 1.025 21 HD2 LYS 4 HD2 LYS 4 11.174 -14.557 -0.957 22 HD3 LYS 4 HD1 LYS 4 12.044 -15.758 -0.003 23 HE2 LYS 4 HE2 LYS 4 9.821 -16.527 0.908 24 HE3 LYS 4 HE1 LYS 4 9.041 -15.453 -0.253 25 HZ1 LYS 4 HZ1 LYS 4 10.934 -16.911 -1.655 26 HZ2 LYS 4 HZ2 LYS 4 9.243 -17.051 -1.750 27 HZ3 LYS 4 HZ3 LYS 4 10.121 -18.027 -0.670 28 H CYS 5 HN CYS 5 11.473 -12.247 -0.146 29 HA CYS 5 HA CYS 5 10.790 -9.460 -0.253 30 HB2 CYS 5 HB2 CYS 5 9.654 -11.017 -2.400 31 HB3 CYS 5 HB1 CYS 5 10.933 -9.806 -2.462 32 H GLU 6 HN GLU 6 9.362 -11.628 1.503 33 HA GLU 6 HA GLU 6 6.604 -10.938 0.685 34 HB2 GLU 6 HB2 GLU 6 5.885 -12.926 1.906 35 HB3 GLU 6 HB1 GLU 6 7.091 -13.360 0.694 36 HG2 GLU 6 HG2 GLU 6 8.054 -14.446 2.463 37 HG3 GLU 6 HG1 GLU 6 8.720 -12.847 2.789 38 H ASN 7 HN ASN 7 8.977 -10.072 2.798 39 HA ASN 7 HA ASN 7 7.382 -9.796 5.196 40 HB2 ASN 7 HB2 ASN 7 9.923 -10.100 5.087 41 HB3 ASN 7 HB1 ASN 7 9.993 -8.403 4.614 42 HD21 ASN 7 HD21 ASN 7 11.253 -8.636 6.906 43 HD22 ASN 7 HD22 ASN 7 10.295 -8.258 8.255 44 H SER 8 HN SER 8 9.102 -7.338 3.259 45 HA SER 8 HA SER 8 6.704 -5.662 3.243 46 HB2 SER 8 HB2 SER 8 9.124 -5.133 4.863 47 HB3 SER 8 HB1 SER 8 8.509 -3.769 3.933 48 HG SER 8 HG SER 8 6.377 -4.633 4.872 49 H LEU 9 HN LEU 9 6.943 -3.783 1.816 50 HA LEU 9 HA LEU 9 8.112 -4.458 -0.657 51 HB2 LEU 9 HB2 LEU 9 7.314 -1.699 0.293 52 HB3 LEU 9 HB1 LEU 9 7.460 -2.243 -1.380 53 HG LEU 9 HG LEU 9 5.738 -4.062 0.007 54 HD11 LEU 9 HD11 LEU 9 4.933 -1.146 0.237 55 HD12 LEU 9 HD12 LEU 9 5.380 -2.185 1.590 56 HD13 LEU 9 HD13 LEU 9 3.928 -2.534 0.654 57 HD21 LEU 9 HD21 LEU 9 5.767 -3.561 -2.421 58 HD22 LEU 9 HD22 LEU 9 5.161 -1.939 -2.084 59 HD23 LEU 9 HD23 LEU 9 4.157 -3.346 -1.734 60 H ARG 10 HN ARG 10 9.237 -2.470 2.026 61 HA ARG 10 HA ARG 10 11.390 -1.168 0.849 62 HB2 ARG 10 HB2 ARG 10 11.146 -2.319 3.641 63 HB3 ARG 10 HB1 ARG 10 12.405 -1.193 3.131 64 HG2 ARG 10 HG2 ARG 10 10.891 0.571 2.835 65 HG3 ARG 10 HG1 ARG 10 9.509 -0.515 2.681 66 HD2 ARG 10 HD2 ARG 10 9.743 0.770 4.900 67 HD3 ARG 10 HD1 ARG 10 9.456 -0.965 5.002 68 HE ARG 10 HE ARG 10 11.586 -1.214 5.901 69 HH11 ARG 10 HH21 ARG 10 11.191 1.901 4.447 70 HH12 ARG 10 HH22 ARG 10 12.693 2.524 5.045 71 HH21 ARG 10 HH11 ARG 10 13.557 -0.404 6.690 72 HH22 ARG 10 HH12 ARG 10 14.032 1.219 6.314 73 H ARG 11 HN ARG 11 11.241 -4.434 2.232 74 HA ARG 11 HA ARG 11 13.990 -5.040 1.780 75 HB2 ARG 11 HB2 ARG 11 11.858 -7.149 1.904 76 HB3 ARG 11 HB1 ARG 11 13.491 -7.176 2.571 77 HG2 ARG 11 HG2 ARG 11 11.137 -5.561 3.585 78 HG3 ARG 11 HG1 ARG 11 11.948 -6.886 4.411 79 HD2 ARG 11 HD2 ARG 11 14.086 -5.362 4.079 80 HD3 ARG 11 HD1 ARG 11 12.885 -4.077 3.968 81 HE ARG 11 HE ARG 11 12.430 -5.756 6.243 82 HH11 ARG 11 HH21 ARG 11 14.375 -3.196 4.963 83 HH12 ARG 11 HH22 ARG 11 14.736 -2.510 6.512 84 HH21 ARG 11 HH11 ARG 11 12.900 -4.863 8.277 85 HH22 ARG 11 HH12 ARG 11 13.901 -3.454 8.388 86 H GLU 12 HN GLU 12 11.023 -5.572 -0.059 87 HA GLU 12 HA GLU 12 12.130 -7.211 -2.077 88 HB2 GLU 12 HB2 GLU 12 9.713 -6.997 -1.791 89 HB3 GLU 12 HB1 GLU 12 9.794 -5.281 -2.189 90 HG2 GLU 12 HG2 GLU 12 10.068 -5.671 -4.428 91 HG3 GLU 12 HG1 GLU 12 11.001 -7.143 -4.163 92 H ILE 13 HN ILE 13 11.805 -3.690 -1.800 93 HA ILE 13 HA ILE 13 12.903 -3.167 -4.402 94 HB ILE 13 HB ILE 13 12.549 -1.362 -2.003 95 HG12 ILE 13 HG12 ILE 13 10.865 -1.282 -4.486 96 HG13 ILE 13 HG11 ILE 13 10.546 -2.546 -3.298 97 HG21 ILE 13 HG21 ILE 13 12.661 0.433 -3.799 98 HG22 ILE 13 HG22 ILE 13 13.241 -0.818 -4.898 99 HG23 ILE 13 HG23 ILE 13 14.187 -0.391 -3.478 100 HD11 ILE 13 HD11 ILE 13 9.379 -0.148 -3.130 101 HD12 ILE 13 HD12 ILE 13 10.877 0.246 -2.289 102 HD13 ILE 13 HD13 ILE 13 9.843 -1.051 -1.688 103 H ALA 14 HN ALA 14 14.153 -3.155 -1.088 104 HA ALA 14 HA ALA 14 16.669 -2.122 -1.486 105 HB1 ALA 14 HB1 ALA 14 17.380 -3.550 0.423 106 HB2 ALA 14 HB2 ALA 14 15.802 -4.302 0.345 107 HB3 ALA 14 HB3 ALA 14 15.919 -2.598 0.727 108 H CYS 15 HN CYS 15 16.151 -5.593 -1.162 109 HA CYS 15 HA CYS 15 18.559 -6.373 -2.350 110 HB2 CYS 15 HB2 CYS 15 16.089 -7.677 -1.492 111 HB3 CYS 15 HB1 CYS 15 16.853 -8.479 -2.870 112 H GLY 16 HN GLY 16 15.438 -5.608 -3.748 113 HA2 GLY 16 HA2 GLY 16 15.778 -6.704 -6.312 114 HA3 GLY 16 HA1 GLY 16 14.771 -5.310 -5.928 115 H GLN 17 HN GLN 17 15.716 -3.201 -5.982 116 HA GLN 17 HA GLN 17 17.103 -2.424 -8.134 117 HB2 GLN 17 HB2 GLN 17 17.359 -1.296 -5.353 118 HB3 GLN 17 HB1 GLN 17 17.999 -0.502 -6.794 119 HG2 GLN 17 HG2 GLN 17 15.250 -1.347 -7.208 120 HG3 GLN 17 HG1 GLN 17 15.378 -0.312 -5.789 121 HE21 GLN 17 HE21 GLN 17 14.576 0.016 -8.885 122 HE22 GLN 17 HE22 GLN 17 15.295 1.508 -9.259 123 H CYS 18 HN CYS 18 18.627 -3.417 -5.072 124 HA CYS 18 HA CYS 18 21.266 -3.011 -5.563 125 HB2 CYS 18 HB2 CYS 18 20.387 -4.074 -3.514 126 HB3 CYS 18 HB1 CYS 18 20.104 -5.555 -4.417 127 H ARG 19 HN ARG 19 19.893 -6.235 -6.226 128 HA ARG 19 HA ARG 19 21.994 -6.910 -8.016 129 HB2 ARG 19 HB2 ARG 19 19.448 -8.182 -7.134 130 HB3 ARG 19 HB1 ARG 19 20.258 -8.795 -8.576 131 HG2 ARG 19 HG2 ARG 19 21.004 -9.994 -6.544 132 HG3 ARG 19 HG1 ARG 19 22.330 -9.120 -7.310 133 HD2 ARG 19 HD2 ARG 19 20.783 -7.616 -5.285 134 HD3 ARG 19 HD1 ARG 19 21.739 -8.929 -4.675 135 HE ARG 19 HE ARG 19 22.770 -6.565 -6.095 136 HH11 ARG 19 HH21 ARG 19 23.274 -9.511 -4.339 137 HH12 ARG 19 HH22 ARG 19 24.943 -9.210 -4.036 138 HH21 ARG 19 HH11 ARG 19 24.976 -6.164 -5.682 139 HH22 ARG 19 HH12 ARG 19 25.911 -7.319 -4.799 140 H ASP 20 HN ASP 20 19.559 -4.782 -8.438 141 HA ASP 20 HA ASP 20 18.999 -5.512 -11.228 142 HB2 ASP 20 HB2 ASP 20 17.421 -4.423 -9.235 143 HB3 ASP 20 HB1 ASP 20 17.796 -3.039 -10.256 144 H LYS 21 HN LYS 21 21.148 -3.609 -9.445 145 HA LYS 21 HA LYS 21 21.575 -1.777 -11.728 146 HB2 LYS 21 HB2 LYS 21 22.331 -0.149 -10.256 147 HB3 LYS 21 HB1 LYS 21 21.047 -0.915 -9.319 148 HG2 LYS 21 HG2 LYS 21 22.889 -2.449 -8.420 149 HG3 LYS 21 HG1 LYS 21 24.023 -1.283 -9.052 150 HD2 LYS 21 HD2 LYS 21 21.804 -0.695 -7.084 151 HD3 LYS 21 HD1 LYS 21 23.518 -0.822 -6.687 152 HE2 LYS 21 HE2 LYS 21 23.758 0.989 -8.611 153 HE3 LYS 21 HE1 LYS 21 22.076 1.323 -8.201 154 HZ1 LYS 21 HZ1 LYS 21 24.267 2.280 -6.896 155 HZ2 LYS 21 HZ2 LYS 21 23.729 1.023 -5.887 156 HZ3 LYS 21 HZ3 LYS 21 22.677 2.288 -6.307 157 H VAL 22 HN VAL 22 22.962 -4.246 -9.721 158 HA VAL 22 HA VAL 22 25.563 -3.909 -11.087 159 HB VAL 22 HB VAL 22 26.192 -5.576 -9.168 160 HG11 VAL 22 HG11 VAL 22 27.367 -3.599 -9.025 161 HG12 VAL 22 HG12 VAL 22 26.289 -3.361 -7.648 162 HG13 VAL 22 HG13 VAL 22 25.911 -2.626 -9.201 163 HG21 VAL 22 HG21 VAL 22 24.820 -5.732 -7.368 164 HG22 VAL 22 HG22 VAL 22 23.607 -5.402 -8.566 165 HG23 VAL 22 HG23 VAL 22 24.223 -4.098 -7.568 166 H LYS 23 HN LYS 23 23.326 -6.426 -9.885 167 HA LYS 23 HA LYS 23 24.441 -8.293 -11.853 168 HB2 LYS 23 HB2 LYS 23 22.480 -8.889 -9.637 169 HB3 LYS 23 HB1 LYS 23 23.440 -10.043 -10.562 170 HG2 LYS 23 HG2 LYS 23 24.552 -7.922 -8.701 171 HG3 LYS 23 HG1 LYS 23 24.446 -9.647 -8.344 172 HD2 LYS 23 HD2 LYS 23 25.779 -9.891 -10.607 173 HD3 LYS 23 HD1 LYS 23 26.240 -8.220 -10.280 174 HE2 LYS 23 HE2 LYS 23 27.933 -9.483 -9.225 175 HE3 LYS 23 HE1 LYS 23 26.841 -9.062 -7.906 176 HZ1 LYS 23 HZ1 LYS 23 26.508 -11.203 -7.531 177 HZ2 LYS 23 HZ2 LYS 23 27.589 -11.606 -8.779 178 HZ3 LYS 23 HZ3 LYS 23 25.932 -11.425 -9.111 179 H THR 24 HN THR 24 21.548 -9.500 -11.078 180 HA THR 24 HA THR 24 19.898 -7.962 -12.918 181 HB THR 24 HB THR 24 21.009 -9.334 -14.531 182 HG1 THR 24 HG1 THR 24 19.147 -9.804 -15.341 183 HG21 THR 24 HG21 THR 24 20.461 -11.984 -13.822 184 HG22 THR 24 HG22 THR 24 21.035 -11.232 -12.334 185 HG23 THR 24 HG23 THR 24 22.036 -11.191 -13.786 186 H ASP 25 HN ASP 25 17.800 -9.513 -13.307 187 HA ASP 25 HA ASP 25 16.550 -9.668 -10.762 188 HB2 ASP 25 HB2 ASP 25 15.735 -9.722 -13.457 189 HB3 ASP 25 HB1 ASP 25 15.173 -11.236 -12.751 190 H GLY 26 HN GLY 26 18.572 -11.822 -12.443 191 HA2 GLY 26 HA2 GLY 26 17.501 -14.295 -11.464 192 HA3 GLY 26 HA1 GLY 26 19.092 -14.058 -12.180 193 H TYR 27 HN TYR 27 20.386 -12.379 -10.577 194 HA TYR 27 HA TYR 27 21.083 -13.958 -8.335 195 HB2 TYR 27 HB2 TYR 27 21.828 -11.263 -9.372 196 HB3 TYR 27 HB1 TYR 27 22.206 -11.631 -7.688 197 HD1 TYR 27 HD1 TYR 27 22.181 -13.717 -10.805 198 HD2 TYR 27 HD2 TYR 27 24.460 -12.211 -7.490 199 HE1 TYR 27 HE1 TYR 27 24.132 -15.064 -11.534 200 HE2 TYR 27 HE2 TYR 27 26.410 -13.557 -8.218 201 HH TYR 27 HH TYR 27 27.244 -14.867 -9.815 202 H PHE 28 HN PHE 28 18.971 -11.166 -8.739 203 HA PHE 28 HA PHE 28 18.570 -10.235 -6.220 204 HB2 PHE 28 HB2 PHE 28 17.155 -9.165 -7.653 205 HB3 PHE 28 HB1 PHE 28 16.789 -10.634 -8.557 206 HD1 PHE 28 HD1 PHE 28 16.152 -8.898 -5.315 207 HD2 PHE 28 HD2 PHE 28 14.836 -11.888 -8.103 208 HE1 PHE 28 HE1 PHE 28 14.046 -9.164 -4.034 209 HE2 PHE 28 HE2 PHE 28 12.728 -12.154 -6.823 210 HZ PHE 28 HZ PHE 28 12.333 -10.791 -4.788 211 H TYR 29 HN TYR 29 17.645 -13.375 -7.454 212 HA TYR 29 HA TYR 29 15.810 -14.144 -5.465 213 HB2 TYR 29 HB2 TYR 29 17.578 -15.570 -7.392 214 HB3 TYR 29 HB1 TYR 29 16.896 -16.504 -6.065 215 HD1 TYR 29 HD2 TYR 29 14.431 -16.654 -5.768 216 HD2 TYR 29 HD1 TYR 29 16.196 -14.719 -9.173 217 HE1 TYR 29 HE2 TYR 29 12.255 -16.754 -6.953 218 HE2 TYR 29 HE1 TYR 29 14.020 -14.820 -10.359 219 HH TYR 29 HH TYR 29 11.961 -16.005 -10.322 220 H GLU 30 HN GLU 30 19.331 -14.703 -5.658 221 HA GLU 30 HA GLU 30 19.573 -15.970 -3.150 222 HB2 GLU 30 HB2 GLU 30 21.835 -15.958 -3.550 223 HB3 GLU 30 HB1 GLU 30 21.258 -15.654 -5.187 224 HG2 GLU 30 HG2 GLU 30 21.395 -13.150 -4.568 225 HG3 GLU 30 HG1 GLU 30 22.362 -13.672 -3.190 226 H CYS 31 HN CYS 31 19.342 -12.626 -4.086 227 HA CYS 31 HA CYS 31 20.417 -11.500 -1.688 228 HB2 CYS 31 HB2 CYS 31 20.047 -10.358 -3.964 229 HB3 CYS 31 HB1 CYS 31 18.375 -10.162 -3.451 230 H CYS 32 HN CYS 32 17.185 -12.457 -2.730 231 HA CYS 32 HA CYS 32 15.863 -11.380 -0.414 232 HB2 CYS 32 HB2 CYS 32 15.086 -12.506 -2.903 233 HB3 CYS 32 HB1 CYS 32 14.352 -13.487 -1.635 234 H THR 33 HN THR 33 17.140 -14.525 -1.379 235 HA THR 33 HA THR 33 16.113 -15.864 0.971 236 HB THR 33 HB THR 33 17.303 -17.812 0.127 237 HG1 THR 33 HG1 THR 33 18.459 -15.903 -1.614 238 HG21 THR 33 HG21 THR 33 15.905 -16.150 -1.982 239 HG22 THR 33 HG22 THR 33 15.204 -17.406 -0.963 240 HG23 THR 33 HG23 THR 33 16.355 -17.836 -2.228 241 H SER 34 HN SER 34 19.424 -15.284 -0.244 242 HA SER 34 HA SER 34 20.718 -15.946 2.167 243 HB2 SER 34 HB2 SER 34 21.613 -15.507 -0.304 244 HB3 SER 34 HB1 SER 34 21.940 -13.912 0.369 245 HG SER 34 HG SER 34 23.122 -14.930 2.018 246 H ASP 35 HN ASP 35 21.255 -14.796 3.951 247 HA ASP 35 HA ASP 35 19.959 -12.202 4.293 248 HB2 ASP 35 HB2 ASP 35 19.936 -14.159 5.991 249 HB3 ASP 35 HB1 ASP 35 21.571 -13.638 6.389 250 H SER 36 HN SER 36 23.211 -13.622 4.497 251 HA SER 36 HA SER 36 24.617 -11.337 5.274 252 HB2 SER 36 HB2 SER 36 25.595 -13.610 5.180 253 HB3 SER 36 HB1 SER 36 25.559 -13.540 3.422 254 HG SER 36 HG SER 36 27.584 -12.898 4.178 255 H THR 37 HN THR 37 23.128 -12.125 2.263 256 HA THR 37 HA THR 37 24.681 -10.220 0.716 257 HB THR 37 HB THR 37 22.127 -11.622 -0.086 258 HG1 THR 37 HG1 THR 37 24.504 -12.653 0.504 259 HG21 THR 37 HG21 THR 37 22.766 -9.803 -1.561 260 HG22 THR 37 HG22 THR 37 23.135 -11.332 -2.360 261 HG23 THR 37 HG23 THR 37 24.429 -10.388 -1.620 262 H PHE 38 HN PHE 38 21.411 -10.466 2.069 263 HA PHE 38 HA PHE 38 20.306 -8.136 1.012 264 HB2 PHE 38 HB2 PHE 38 18.714 -9.352 2.123 265 HB3 PHE 38 HB1 PHE 38 19.810 -9.793 3.433 266 HD1 PHE 38 HD2 PHE 38 20.249 -8.249 5.292 267 HD2 PHE 38 HD1 PHE 38 17.505 -7.238 2.144 268 HE1 PHE 38 HE2 PHE 38 19.347 -6.397 6.673 269 HE2 PHE 38 HE1 PHE 38 16.603 -5.387 3.526 270 HZ PHE 38 HZ PHE 38 17.524 -4.966 5.790 271 H LYS 39 HN LYS 39 22.153 -8.580 4.021 272 HA LYS 39 HA LYS 39 22.049 -5.880 4.863 273 HB2 LYS 39 HB2 LYS 39 22.900 -8.136 6.035 274 HB3 LYS 39 HB1 LYS 39 24.458 -7.502 5.506 275 HG2 LYS 39 HG2 LYS 39 23.914 -5.332 6.599 276 HG3 LYS 39 HG1 LYS 39 22.409 -6.036 7.193 277 HD2 LYS 39 HD2 LYS 39 24.309 -7.906 7.949 278 HD3 LYS 39 HD1 LYS 39 25.141 -6.370 8.197 279 HE2 LYS 39 HE2 LYS 39 23.936 -6.950 10.233 280 HE3 LYS 39 HE1 LYS 39 23.159 -5.554 9.484 281 HZ1 LYS 39 HZ1 LYS 39 21.659 -7.420 10.249 282 HZ2 LYS 39 HZ2 LYS 39 22.270 -8.325 8.948 283 HZ3 LYS 39 HZ3 LYS 39 21.432 -6.875 8.658 284 H LYS 40 HN LYS 40 23.974 -7.537 2.495 285 HA LYS 40 HA LYS 40 25.890 -5.337 2.298 286 HB2 LYS 40 HB2 LYS 40 26.514 -7.811 2.085 287 HB3 LYS 40 HB1 LYS 40 25.733 -7.759 0.504 288 HG2 LYS 40 HG2 LYS 40 27.730 -7.037 -0.285 289 HG3 LYS 40 HG1 LYS 40 27.336 -5.499 0.471 290 HD2 LYS 40 HD2 LYS 40 29.474 -6.054 1.329 291 HD3 LYS 40 HD1 LYS 40 28.348 -6.466 2.622 292 HE2 LYS 40 HE2 LYS 40 28.428 -8.782 1.093 293 HE3 LYS 40 HE1 LYS 40 30.096 -8.213 1.056 294 HZ1 LYS 40 HZ1 LYS 40 30.080 -8.077 3.455 295 HZ2 LYS 40 HZ2 LYS 40 29.656 -9.646 2.962 296 HZ3 LYS 40 HZ3 LYS 40 28.459 -8.572 3.507 297 H CYS 41 HN CYS 41 22.891 -6.242 1.004 298 HA CYS 41 HA CYS 41 23.306 -4.761 -1.498 299 HB2 CYS 41 HB2 CYS 41 21.463 -6.852 -0.579 300 HB3 CYS 41 HB1 CYS 41 20.685 -5.572 -1.509 301 H GLN 42 HN GLN 42 21.886 -4.445 1.635 302 HA GLN 42 HA GLN 42 20.058 -2.337 0.965 303 HB2 GLN 42 HB2 GLN 42 19.609 -2.207 3.294 304 HB3 GLN 42 HB1 GLN 42 19.862 -3.919 2.953 305 HG2 GLN 42 HG2 GLN 42 21.238 -3.681 4.795 306 HG3 GLN 42 HG1 GLN 42 22.384 -3.308 3.513 307 HE21 GLN 42 HE21 GLN 42 19.769 -1.312 4.997 308 HE22 GLN 42 HE22 GLN 42 20.797 -0.033 5.431 309 H ASP 43 HN ASP 43 23.389 -2.591 2.020 310 HA ASP 43 HA ASP 43 23.812 0.056 2.881 311 HB2 ASP 43 HB2 ASP 43 25.387 -1.934 3.107 312 HB3 ASP 43 HB1 ASP 43 25.850 -1.634 1.433 313 H LEU 44 HN LEU 44 23.976 -1.425 -0.345 314 HA LEU 44 HA LEU 44 24.971 0.832 -1.711 315 HB2 LEU 44 HB2 LEU 44 23.404 -1.599 -2.549 316 HB3 LEU 44 HB1 LEU 44 23.779 -0.330 -3.707 317 HG LEU 44 HG LEU 44 25.470 -2.202 -3.616 318 HD11 LEU 44 HD11 LEU 44 25.860 0.533 -3.892 319 HD12 LEU 44 HD12 LEU 44 27.046 -0.704 -4.283 320 HD13 LEU 44 HD13 LEU 44 27.070 0.076 -2.702 321 HD21 LEU 44 HD21 LEU 44 26.880 -2.472 -1.723 322 HD22 LEU 44 HD22 LEU 44 25.247 -2.399 -1.078 323 HD23 LEU 44 HD23 LEU 44 26.297 -0.981 -0.986 324 H LEU 45 HN LEU 45 21.629 -0.374 -1.365 325 HA LEU 45 HA LEU 45 20.422 1.774 -2.683 326 HB2 LEU 45 HB2 LEU 45 19.571 -0.502 -1.063 327 HB3 LEU 45 HB1 LEU 45 18.554 0.912 -0.790 328 HG LEU 45 HG LEU 45 17.673 -0.436 -2.648 329 HD11 LEU 45 HD11 LEU 45 17.036 1.439 -3.726 330 HD12 LEU 45 HD12 LEU 45 18.684 1.769 -4.255 331 HD13 LEU 45 HD13 LEU 45 18.143 2.298 -2.658 332 HD21 LEU 45 HD21 LEU 45 19.468 0.009 -4.730 333 HD22 LEU 45 HD22 LEU 45 19.185 -1.535 -3.906 334 HD23 LEU 45 HD23 LEU 45 20.492 -0.490 -3.392 335 H HIS 46 HN HIS 46 20.913 1.192 0.784 336 HA HIS 46 HA HIS 46 20.974 2.655 2.566 337 HB2 HIS 46 HB2 HIS 46 22.659 3.726 0.891 338 HB3 HIS 46 HB1 HIS 46 21.394 4.932 0.655 339 HD1 HIS 46 HD1 HIS 46 20.631 6.284 2.815 340 HD2 HIS 46 HD2 HIS 46 24.046 3.947 3.319 341 HE1 HIS 46 HE1 HIS 46 21.731 7.075 4.955 Start of MODEL 17 1 HA ALA 1 HA ALA 1 14.595 -17.711 9.058 2 HB1 ALA 1 HB1 ALA 1 11.726 -18.271 9.867 3 HB2 ALA 1 HB2 ALA 1 13.171 -18.821 10.717 4 HB3 ALA 1 HB3 ALA 1 12.809 -19.437 9.104 5 H ASP 2 HN ASP 2 11.143 -17.064 8.440 6 HA ASP 2 HA ASP 2 11.667 -17.084 5.566 7 HB2 ASP 2 HB2 ASP 2 9.080 -16.882 7.125 8 HB3 ASP 2 HB1 ASP 2 9.201 -17.013 5.372 9 H ASN 3 HN ASN 3 12.823 -15.105 5.386 10 HA ASN 3 HA ASN 3 11.061 -12.741 5.416 11 HB2 ASN 3 HB2 ASN 3 13.954 -12.548 6.222 12 HB3 ASN 3 HB1 ASN 3 12.659 -11.378 6.473 13 HD21 ASN 3 HD21 ASN 3 11.611 -11.463 8.478 14 HD22 ASN 3 HD22 ASN 3 11.740 -12.751 9.575 15 H LYS 4 HN LYS 4 10.836 -12.864 3.178 16 HA LYS 4 HA LYS 4 13.288 -12.248 1.643 17 HB2 LYS 4 HB2 LYS 4 11.053 -13.551 0.204 18 HB3 LYS 4 HB1 LYS 4 12.792 -13.793 0.047 19 HG2 LYS 4 HG2 LYS 4 12.714 -14.958 2.306 20 HG3 LYS 4 HG1 LYS 4 10.956 -14.921 2.168 21 HD2 LYS 4 HD2 LYS 4 11.082 -16.160 0.047 22 HD3 LYS 4 HD1 LYS 4 12.842 -16.184 0.156 23 HE2 LYS 4 HE2 LYS 4 12.852 -17.716 1.897 24 HE3 LYS 4 HE1 LYS 4 11.255 -17.233 2.469 25 HZ1 LYS 4 HZ1 LYS 4 11.486 -19.454 1.252 26 HZ2 LYS 4 HZ2 LYS 4 11.597 -18.522 -0.163 27 HZ3 LYS 4 HZ3 LYS 4 10.206 -18.433 0.807 28 H CYS 5 HN CYS 5 11.662 -11.978 -0.779 29 HA CYS 5 HA CYS 5 11.075 -9.200 -0.590 30 HB2 CYS 5 HB2 CYS 5 9.802 -10.495 -2.852 31 HB3 CYS 5 HB1 CYS 5 11.114 -9.318 -2.832 32 H GLU 6 HN GLU 6 9.414 -11.720 0.657 33 HA GLU 6 HA GLU 6 6.733 -10.761 -0.018 34 HB2 GLU 6 HB2 GLU 6 5.928 -12.716 1.143 35 HB3 GLU 6 HB1 GLU 6 7.253 -13.211 0.087 36 HG2 GLU 6 HG2 GLU 6 8.780 -12.858 2.131 37 HG3 GLU 6 HG1 GLU 6 7.295 -12.828 3.082 38 H ASN 7 HN ASN 7 9.040 -9.742 2.010 39 HA ASN 7 HA ASN 7 7.511 -9.474 4.450 40 HB2 ASN 7 HB2 ASN 7 10.242 -8.989 3.576 41 HB3 ASN 7 HB1 ASN 7 9.621 -7.662 4.558 42 HD21 ASN 7 HD21 ASN 7 10.745 -8.165 6.517 43 HD22 ASN 7 HD22 ASN 7 10.482 -9.601 7.383 44 H SER 8 HN SER 8 9.130 -6.872 2.656 45 HA SER 8 HA SER 8 6.597 -5.390 2.510 46 HB2 SER 8 HB2 SER 8 8.893 -4.741 4.234 47 HB3 SER 8 HB1 SER 8 8.331 -3.403 3.235 48 HG SER 8 HG SER 8 6.189 -4.610 4.160 49 H LEU 9 HN LEU 9 6.983 -3.266 1.271 50 HA LEU 9 HA LEU 9 8.116 -3.920 -1.259 51 HB2 LEU 9 HB2 LEU 9 7.159 -1.264 -0.165 52 HB3 LEU 9 HB1 LEU 9 7.526 -1.594 -1.858 53 HG LEU 9 HG LEU 9 5.677 -3.515 -0.572 54 HD11 LEU 9 HD11 LEU 9 4.838 -1.473 0.446 55 HD12 LEU 9 HD12 LEU 9 3.748 -1.937 -0.860 56 HD13 LEU 9 HD13 LEU 9 4.907 -0.629 -1.101 57 HD21 LEU 9 HD21 LEU 9 6.428 -3.300 -3.044 58 HD22 LEU 9 HD22 LEU 9 5.319 -1.932 -3.116 59 HD23 LEU 9 HD23 LEU 9 4.709 -3.541 -2.732 60 H ARG 10 HN ARG 10 9.162 -1.928 1.466 61 HA ARG 10 HA ARG 10 11.332 -0.621 0.306 62 HB2 ARG 10 HB2 ARG 10 11.046 -1.682 3.128 63 HB3 ARG 10 HB1 ARG 10 12.254 -0.508 2.605 64 HG2 ARG 10 HG2 ARG 10 9.702 0.391 1.685 65 HG3 ARG 10 HG1 ARG 10 9.552 -0.019 3.395 66 HD2 ARG 10 HD2 ARG 10 10.272 2.350 3.004 67 HD3 ARG 10 HD1 ARG 10 11.417 1.418 3.965 68 HE ARG 10 HE ARG 10 12.295 1.127 1.377 69 HH11 ARG 10 HH21 ARG 10 11.540 3.766 3.484 70 HH12 ARG 10 HH22 ARG 10 12.698 4.842 2.777 71 HH21 ARG 10 HH11 ARG 10 13.818 2.532 0.446 72 HH22 ARG 10 HH12 ARG 10 13.988 4.143 1.057 73 H ARG 11 HN ARG 11 11.155 -3.843 1.768 74 HA ARG 11 HA ARG 11 13.920 -4.448 1.499 75 HB2 ARG 11 HB2 ARG 11 11.764 -6.543 1.483 76 HB3 ARG 11 HB1 ARG 11 13.367 -6.606 2.215 77 HG2 ARG 11 HG2 ARG 11 11.019 -4.929 3.150 78 HG3 ARG 11 HG1 ARG 11 11.725 -6.313 3.982 79 HD2 ARG 11 HD2 ARG 11 13.917 -5.016 4.017 80 HD3 ARG 11 HD1 ARG 11 12.995 -3.612 3.487 81 HE ARG 11 HE ARG 11 12.098 -3.454 5.628 82 HH11 ARG 11 HH21 ARG 11 13.641 -6.510 5.128 83 HH12 ARG 11 HH22 ARG 11 13.529 -6.994 6.787 84 HH21 ARG 11 HH11 ARG 11 11.947 -4.079 7.803 85 HH22 ARG 11 HH12 ARG 11 12.569 -5.616 8.303 86 H GLU 12 HN GLU 12 11.078 -5.326 -0.458 87 HA GLU 12 HA GLU 12 12.363 -6.831 -2.416 88 HB2 GLU 12 HB2 GLU 12 9.898 -6.592 -2.219 89 HB3 GLU 12 HB1 GLU 12 10.031 -4.934 -2.806 90 HG2 GLU 12 HG2 GLU 12 10.776 -5.633 -4.946 91 HG3 GLU 12 HG1 GLU 12 11.132 -7.263 -4.379 92 H ILE 13 HN ILE 13 11.894 -3.313 -2.235 93 HA ILE 13 HA ILE 13 13.092 -2.743 -4.749 94 HB ILE 13 HB ILE 13 12.764 -1.013 -2.289 95 HG12 ILE 13 HG12 ILE 13 11.116 -0.877 -4.806 96 HG13 ILE 13 HG11 ILE 13 10.724 -2.073 -3.571 97 HG21 ILE 13 HG21 ILE 13 12.928 0.832 -4.044 98 HG22 ILE 13 HG22 ILE 13 13.533 -0.399 -5.153 99 HG23 ILE 13 HG23 ILE 13 14.435 -0.012 -3.688 100 HD11 ILE 13 HD11 ILE 13 9.640 0.340 -3.491 101 HD12 ILE 13 HD12 ILE 13 11.171 0.767 -2.728 102 HD13 ILE 13 HD13 ILE 13 10.137 -0.464 -2.003 103 H ALA 14 HN ALA 14 14.320 -2.770 -1.417 104 HA ALA 14 HA ALA 14 16.879 -1.831 -1.814 105 HB1 ALA 14 HB1 ALA 14 17.516 -3.169 0.138 106 HB2 ALA 14 HB2 ALA 14 16.010 -4.061 -0.011 107 HB3 ALA 14 HB3 ALA 14 15.970 -2.349 0.381 108 H CYS 15 HN CYS 15 16.333 -5.276 -1.389 109 HA CYS 15 HA CYS 15 18.668 -6.197 -2.537 110 HB2 CYS 15 HB2 CYS 15 16.245 -7.349 -1.616 111 HB3 CYS 15 HB1 CYS 15 16.561 -8.024 -3.218 112 H GLY 16 HN GLY 16 15.673 -5.217 -4.100 113 HA2 GLY 16 HA2 GLY 16 16.178 -6.232 -6.676 114 HA3 GLY 16 HA1 GLY 16 15.163 -4.838 -6.310 115 H GLN 17 HN GLN 17 16.178 -2.748 -6.110 116 HA GLN 17 HA GLN 17 17.734 -1.900 -8.146 117 HB2 GLN 17 HB2 GLN 17 17.888 -0.846 -5.321 118 HB3 GLN 17 HB1 GLN 17 18.418 0.009 -6.771 119 HG2 GLN 17 HG2 GLN 17 15.611 -1.058 -6.585 120 HG3 GLN 17 HG1 GLN 17 16.025 0.487 -5.846 121 HE21 GLN 17 HE21 GLN 17 14.646 -0.635 -8.578 122 HE22 GLN 17 HE22 GLN 17 15.196 0.516 -9.699 123 H CYS 18 HN CYS 18 18.881 -3.386 -5.178 124 HA CYS 18 HA CYS 18 21.619 -2.868 -5.448 125 HB2 CYS 18 HB2 CYS 18 20.700 -3.800 -3.401 126 HB3 CYS 18 HB1 CYS 18 20.234 -5.267 -4.254 127 H ARG 19 HN ARG 19 19.743 -5.677 -6.600 128 HA ARG 19 HA ARG 19 22.056 -6.427 -8.275 129 HB2 ARG 19 HB2 ARG 19 19.661 -8.045 -7.390 130 HB3 ARG 19 HB1 ARG 19 20.964 -8.642 -8.419 131 HG2 ARG 19 HG2 ARG 19 21.351 -7.527 -5.621 132 HG3 ARG 19 HG1 ARG 19 21.267 -9.246 -6.002 133 HD2 ARG 19 HD2 ARG 19 23.554 -8.964 -6.082 134 HD3 ARG 19 HD1 ARG 19 23.170 -8.569 -7.753 135 HE ARG 19 HE ARG 19 23.002 -6.157 -6.576 136 HH11 ARG 19 HH21 ARG 19 25.319 -8.713 -6.383 137 HH12 ARG 19 HH22 ARG 19 26.662 -7.661 -6.083 138 HH21 ARG 19 HH11 ARG 19 24.754 -4.767 -6.187 139 HH22 ARG 19 HH12 ARG 19 26.342 -5.425 -5.972 140 H ASP 20 HN ASP 20 19.473 -4.556 -8.574 141 HA ASP 20 HA ASP 20 18.669 -5.589 -11.216 142 HB2 ASP 20 HB2 ASP 20 16.994 -4.871 -9.309 143 HB3 ASP 20 HB1 ASP 20 17.338 -3.254 -9.909 144 H LYS 21 HN LYS 21 20.715 -3.326 -9.732 145 HA LYS 21 HA LYS 21 20.681 -1.598 -12.137 146 HB2 LYS 21 HB2 LYS 21 21.587 0.145 -10.818 147 HB3 LYS 21 HB1 LYS 21 20.352 -0.602 -9.804 148 HG2 LYS 21 HG2 LYS 21 22.181 -2.025 -8.799 149 HG3 LYS 21 HG1 LYS 21 23.349 -1.019 -9.646 150 HD2 LYS 21 HD2 LYS 21 21.516 0.716 -8.315 151 HD3 LYS 21 HD1 LYS 21 22.051 -0.503 -7.156 152 HE2 LYS 21 HE2 LYS 21 23.606 1.377 -7.127 153 HE3 LYS 21 HE1 LYS 21 24.411 -0.038 -7.805 154 HZ1 LYS 21 HZ1 LYS 21 24.813 1.960 -9.123 155 HZ2 LYS 21 HZ2 LYS 21 23.144 2.139 -9.383 156 HZ3 LYS 21 HZ3 LYS 21 23.968 0.794 -10.018 157 H VAL 22 HN VAL 22 22.276 -4.196 -10.856 158 HA VAL 22 HA VAL 22 24.723 -3.559 -12.358 159 HB VAL 22 HB VAL 22 25.575 -5.267 -10.403 160 HG11 VAL 22 HG11 VAL 22 26.635 -3.197 -9.428 161 HG12 VAL 22 HG12 VAL 22 25.595 -2.236 -10.480 162 HG13 VAL 22 HG13 VAL 22 26.801 -3.315 -11.178 163 HG21 VAL 22 HG21 VAL 22 24.693 -4.737 -8.318 164 HG22 VAL 22 HG22 VAL 22 23.245 -4.703 -9.317 165 HG23 VAL 22 HG23 VAL 22 24.056 -3.199 -8.879 166 H LYS 23 HN LYS 23 23.201 -6.278 -10.603 167 HA LYS 23 HA LYS 23 24.043 -8.095 -12.725 168 HB2 LYS 23 HB2 LYS 23 22.577 -8.700 -10.152 169 HB3 LYS 23 HB1 LYS 23 23.344 -9.871 -11.228 170 HG2 LYS 23 HG2 LYS 23 24.767 -7.655 -9.727 171 HG3 LYS 23 HG1 LYS 23 24.792 -9.366 -9.302 172 HD2 LYS 23 HD2 LYS 23 25.613 -9.654 -11.802 173 HD3 LYS 23 HD1 LYS 23 26.093 -7.968 -11.615 174 HE2 LYS 23 HE2 LYS 23 26.911 -10.211 -9.743 175 HE3 LYS 23 HE1 LYS 23 27.927 -9.536 -11.018 176 HZ1 LYS 23 HZ1 LYS 23 28.441 -8.489 -8.935 177 HZ2 LYS 23 HZ2 LYS 23 26.815 -8.066 -8.691 178 HZ3 LYS 23 HZ3 LYS 23 27.699 -7.356 -9.955 179 H THR 24 HN THR 24 21.718 -9.870 -11.978 180 HA THR 24 HA THR 24 19.609 -8.498 -13.531 181 HB THR 24 HB THR 24 20.603 -10.043 -15.050 182 HG1 THR 24 HG1 THR 24 18.898 -11.496 -15.331 183 HG21 THR 24 HG21 THR 24 20.881 -12.458 -14.405 184 HG22 THR 24 HG22 THR 24 20.482 -12.007 -12.748 185 HG23 THR 24 HG23 THR 24 21.931 -11.356 -13.514 186 H ASP 25 HN ASP 25 17.624 -10.278 -13.441 187 HA ASP 25 HA ASP 25 16.548 -9.988 -10.861 188 HB2 ASP 25 HB2 ASP 25 15.629 -10.834 -13.371 189 HB3 ASP 25 HB1 ASP 25 15.354 -12.198 -12.289 190 H GLY 26 HN GLY 26 18.104 -12.743 -12.458 191 HA2 GLY 26 HA2 GLY 26 17.653 -14.767 -10.646 192 HA3 GLY 26 HA1 GLY 26 19.144 -14.601 -11.567 193 H TYR 27 HN TYR 27 20.242 -12.320 -10.525 194 HA TYR 27 HA TYR 27 21.428 -13.244 -8.128 195 HB2 TYR 27 HB2 TYR 27 21.492 -10.698 -9.691 196 HB3 TYR 27 HB1 TYR 27 22.160 -10.708 -8.059 197 HD1 TYR 27 HD1 TYR 27 22.241 -12.669 -11.254 198 HD2 TYR 27 HD2 TYR 27 24.361 -11.449 -7.722 199 HE1 TYR 27 HE1 TYR 27 24.294 -13.770 -12.105 200 HE2 TYR 27 HE2 TYR 27 26.413 -12.550 -8.574 201 HH TYR 27 HH TYR 27 27.293 -13.807 -10.176 202 H PHE 28 HN PHE 28 18.970 -10.743 -8.752 203 HA PHE 28 HA PHE 28 18.670 -9.786 -6.146 204 HB2 PHE 28 HB2 PHE 28 17.368 -8.479 -7.459 205 HB3 PHE 28 HB1 PHE 28 17.088 -9.776 -8.619 206 HD1 PHE 28 HD1 PHE 28 15.950 -8.236 -5.471 207 HD2 PHE 28 HD2 PHE 28 15.209 -11.304 -8.382 208 HE1 PHE 28 HE1 PHE 28 13.697 -8.607 -4.507 209 HE2 PHE 28 HE2 PHE 28 12.956 -11.676 -7.419 210 HZ PHE 28 HZ PHE 28 12.199 -10.328 -5.480 211 H TYR 29 HN TYR 29 17.179 -12.573 -7.748 212 HA TYR 29 HA TYR 29 15.416 -13.276 -5.648 213 HB2 TYR 29 HB2 TYR 29 15.508 -14.132 -8.097 214 HB3 TYR 29 HB1 TYR 29 16.673 -15.303 -7.478 215 HD1 TYR 29 HD1 TYR 29 13.287 -13.887 -6.710 216 HD2 TYR 29 HD2 TYR 29 15.895 -17.296 -6.524 217 HE1 TYR 29 HE1 TYR 29 11.426 -15.262 -5.817 218 HE2 TYR 29 HE2 TYR 29 14.035 -18.670 -5.633 219 HH TYR 29 HH TYR 29 11.891 -18.272 -4.386 220 H GLU 30 HN GLU 30 18.737 -14.239 -6.396 221 HA GLU 30 HA GLU 30 19.076 -16.193 -4.424 222 HB2 GLU 30 HB2 GLU 30 20.734 -14.781 -6.270 223 HB3 GLU 30 HB1 GLU 30 21.510 -14.740 -4.686 224 HG2 GLU 30 HG2 GLU 30 21.222 -17.196 -4.496 225 HG3 GLU 30 HG1 GLU 30 20.500 -17.224 -6.105 226 H CYS 31 HN CYS 31 19.584 -12.654 -4.255 227 HA CYS 31 HA CYS 31 20.492 -12.690 -1.565 228 HB2 CYS 31 HB2 CYS 31 20.536 -10.370 -1.751 229 HB3 CYS 31 HB1 CYS 31 20.811 -10.896 -3.402 230 H CYS 32 HN CYS 32 17.361 -12.125 -3.120 231 HA CYS 32 HA CYS 32 15.889 -11.264 -0.922 232 HB2 CYS 32 HB2 CYS 32 15.342 -12.050 -3.553 233 HB3 CYS 32 HB1 CYS 32 14.364 -13.115 -2.544 234 H THR 33 HN THR 33 16.793 -14.537 -1.900 235 HA THR 33 HA THR 33 15.263 -15.772 0.225 236 HB THR 33 HB THR 33 16.250 -17.863 -0.586 237 HG1 THR 33 HG1 THR 33 18.185 -17.638 -1.347 238 HG21 THR 33 HG21 THR 33 15.112 -15.893 -2.545 239 HG22 THR 33 HG22 THR 33 14.383 -17.354 -1.880 240 HG23 THR 33 HG23 THR 33 15.634 -17.475 -3.118 241 H SER 34 HN SER 34 18.684 -15.131 -0.477 242 HA SER 34 HA SER 34 19.604 -16.306 1.984 243 HB2 SER 34 HB2 SER 34 21.127 -16.309 0.134 244 HB3 SER 34 HB1 SER 34 20.940 -14.574 -0.103 245 HG SER 34 HG SER 34 21.824 -14.348 2.051 246 H ASP 35 HN ASP 35 20.393 -15.233 3.810 247 HA ASP 35 HA ASP 35 19.136 -12.644 4.311 248 HB2 ASP 35 HB2 ASP 35 18.991 -14.539 5.953 249 HB3 ASP 35 HB1 ASP 35 20.727 -14.375 6.212 250 H SER 36 HN SER 36 22.359 -14.033 4.983 251 HA SER 36 HA SER 36 23.760 -11.770 5.579 252 HB2 SER 36 HB2 SER 36 24.441 -14.371 5.018 253 HB3 SER 36 HB1 SER 36 25.220 -13.493 3.705 254 HG SER 36 HG SER 36 25.450 -12.983 6.492 255 H THR 37 HN THR 37 23.501 -13.104 2.271 256 HA THR 37 HA THR 37 24.758 -11.068 0.892 257 HB THR 37 HB THR 37 22.285 -12.460 -0.127 258 HG1 THR 37 HG1 THR 37 24.528 -13.720 -0.774 259 HG21 THR 37 HG21 THR 37 23.745 -10.590 -1.350 260 HG22 THR 37 HG22 THR 37 23.090 -11.969 -2.233 261 HG23 THR 37 HG23 THR 37 24.772 -11.980 -1.703 262 H PHE 38 HN PHE 38 21.284 -11.306 1.678 263 HA PHE 38 HA PHE 38 20.503 -8.868 0.520 264 HB2 PHE 38 HB2 PHE 38 18.657 -10.116 1.052 265 HB3 PHE 38 HB1 PHE 38 19.369 -10.727 2.546 266 HD1 PHE 38 HD1 PHE 38 18.072 -7.579 0.986 267 HD2 PHE 38 HD2 PHE 38 18.761 -9.784 4.608 268 HE1 PHE 38 HE1 PHE 38 16.862 -5.841 2.275 269 HE2 PHE 38 HE2 PHE 38 17.550 -8.046 5.896 270 HZ PHE 38 HZ PHE 38 16.600 -6.073 4.730 271 H LYS 39 HN LYS 39 22.177 -9.583 3.461 272 HA LYS 39 HA LYS 39 21.577 -7.145 4.831 273 HB2 LYS 39 HB2 LYS 39 22.587 -9.442 5.697 274 HB3 LYS 39 HB1 LYS 39 24.113 -8.637 5.337 275 HG2 LYS 39 HG2 LYS 39 23.607 -8.112 7.619 276 HG3 LYS 39 HG1 LYS 39 23.270 -6.658 6.681 277 HD2 LYS 39 HD2 LYS 39 21.136 -6.665 7.391 278 HD3 LYS 39 HD1 LYS 39 20.896 -8.282 6.734 279 HE2 LYS 39 HE2 LYS 39 21.729 -9.294 8.772 280 HE3 LYS 39 HE1 LYS 39 22.174 -7.716 9.422 281 HZ1 LYS 39 HZ1 LYS 39 19.414 -8.551 8.717 282 HZ2 LYS 39 HZ2 LYS 39 19.870 -7.073 9.420 283 HZ3 LYS 39 HZ3 LYS 39 20.048 -8.521 10.290 284 H LYS 40 HN LYS 40 23.832 -8.071 2.369 285 HA LYS 40 HA LYS 40 25.551 -5.767 2.783 286 HB2 LYS 40 HB2 LYS 40 26.082 -8.193 1.786 287 HB3 LYS 40 HB1 LYS 40 25.678 -7.369 0.280 288 HG2 LYS 40 HG2 LYS 40 27.327 -5.610 0.788 289 HG3 LYS 40 HG1 LYS 40 27.729 -6.418 2.303 290 HD2 LYS 40 HD2 LYS 40 27.897 -8.370 0.241 291 HD3 LYS 40 HD1 LYS 40 28.768 -6.940 -0.317 292 HE2 LYS 40 HE2 LYS 40 30.251 -8.446 0.971 293 HE3 LYS 40 HE1 LYS 40 30.055 -6.890 1.780 294 HZ1 LYS 40 HZ1 LYS 40 28.122 -8.076 2.972 295 HZ2 LYS 40 HZ2 LYS 40 29.713 -8.391 3.476 296 HZ3 LYS 40 HZ3 LYS 40 28.897 -9.504 2.486 297 H CYS 41 HN CYS 41 22.905 -6.747 0.699 298 HA CYS 41 HA CYS 41 23.187 -4.627 -1.194 299 HB2 CYS 41 HB2 CYS 41 21.073 -6.638 -0.526 300 HB3 CYS 41 HB1 CYS 41 20.648 -5.257 -1.542 301 H GLN 42 HN GLN 42 20.855 -5.132 1.465 302 HA GLN 42 HA GLN 42 19.514 -2.732 1.359 303 HB2 GLN 42 HB2 GLN 42 18.990 -3.076 3.719 304 HB3 GLN 42 HB1 GLN 42 18.930 -4.617 2.863 305 HG2 GLN 42 HG2 GLN 42 20.220 -5.238 4.676 306 HG3 GLN 42 HG1 GLN 42 21.490 -4.719 3.570 307 HE21 GLN 42 HE21 GLN 42 22.195 -4.593 6.206 308 HE22 GLN 42 HE22 GLN 42 22.170 -2.994 6.775 309 H ASP 43 HN ASP 43 22.674 -3.454 2.735 310 HA ASP 43 HA ASP 43 23.049 -0.983 4.080 311 HB2 ASP 43 HB2 ASP 43 24.390 -3.233 4.225 312 HB3 ASP 43 HB1 ASP 43 25.340 -2.529 2.917 313 H LEU 44 HN LEU 44 23.572 -2.048 0.777 314 HA LEU 44 HA LEU 44 25.121 0.202 -0.044 315 HB2 LEU 44 HB2 LEU 44 23.991 -2.179 -1.256 316 HB3 LEU 44 HB1 LEU 44 23.767 -0.773 -2.298 317 HG LEU 44 HG LEU 44 26.411 -1.530 -1.024 318 HD11 LEU 44 HD11 LEU 44 25.481 -3.176 -2.754 319 HD12 LEU 44 HD12 LEU 44 27.065 -2.489 -3.109 320 HD13 LEU 44 HD13 LEU 44 25.631 -1.868 -3.928 321 HD21 LEU 44 HD21 LEU 44 26.576 0.065 -3.411 322 HD22 LEU 44 HD22 LEU 44 27.109 0.474 -1.780 323 HD23 LEU 44 HD23 LEU 44 25.459 0.838 -2.286 324 H LEU 45 HN LEU 45 21.687 -0.647 -0.375 325 HA LEU 45 HA LEU 45 21.004 1.811 -1.628 326 HB2 LEU 45 HB2 LEU 45 19.513 -0.526 -0.531 327 HB3 LEU 45 HB1 LEU 45 18.620 0.982 -0.692 328 HG LEU 45 HG LEU 45 18.391 -0.398 -2.709 329 HD11 LEU 45 HD11 LEU 45 18.438 1.393 -4.081 330 HD12 LEU 45 HD12 LEU 45 20.153 1.694 -3.790 331 HD13 LEU 45 HD13 LEU 45 18.945 2.271 -2.640 332 HD21 LEU 45 HD21 LEU 45 21.094 -0.075 -3.713 333 HD22 LEU 45 HD22 LEU 45 20.096 -1.531 -3.597 334 HD23 LEU 45 HD23 LEU 45 21.065 -1.020 -2.225 335 H HIS 46 HN HIS 46 20.319 0.568 1.636 336 HA HIS 46 HA HIS 46 20.018 3.383 2.511 337 HB2 HIS 46 HB2 HIS 46 18.138 1.508 2.748 338 HB3 HIS 46 HB1 HIS 46 19.059 1.134 4.206 339 HD1 HIS 46 HD1 HIS 46 19.794 3.641 5.464 340 HD2 HIS 46 HD2 HIS 46 16.192 3.348 3.384 341 HE1 HIS 46 HE1 HIS 46 18.315 5.509 6.324 Start of MODEL 18 1 HA ALA 1 HA ALA 1 6.462 -17.705 6.945 2 HB1 ALA 1 HB1 ALA 1 4.505 -17.806 8.458 3 HB2 ALA 1 HB2 ALA 1 5.317 -16.244 8.562 4 HB3 ALA 1 HB3 ALA 1 5.555 -17.447 9.829 5 H ASP 2 HN ASP 2 8.520 -17.041 6.562 6 HA ASP 2 HA ASP 2 10.213 -16.301 8.861 7 HB2 ASP 2 HB2 ASP 2 11.021 -17.893 7.011 8 HB3 ASP 2 HB1 ASP 2 11.104 -16.459 5.988 9 H ASN 3 HN ASN 3 11.681 -14.771 6.532 10 HA ASN 3 HA ASN 3 10.000 -12.494 6.044 11 HB2 ASN 3 HB2 ASN 3 11.428 -10.891 7.337 12 HB3 ASN 3 HB1 ASN 3 10.468 -11.972 8.347 13 HD21 ASN 3 HD21 ASN 3 13.655 -10.867 7.744 14 HD22 ASN 3 HD22 ASN 3 14.476 -12.032 8.667 15 H LYS 4 HN LYS 4 10.583 -12.330 3.954 16 HA LYS 4 HA LYS 4 13.278 -11.468 3.335 17 HB2 LYS 4 HB2 LYS 4 13.601 -13.229 1.587 18 HB3 LYS 4 HB1 LYS 4 13.630 -13.861 3.233 19 HG2 LYS 4 HG2 LYS 4 10.914 -13.860 2.364 20 HG3 LYS 4 HG1 LYS 4 11.882 -14.594 1.084 21 HD2 LYS 4 HD2 LYS 4 12.031 -15.380 4.010 22 HD3 LYS 4 HD1 LYS 4 11.110 -16.255 2.787 23 HE2 LYS 4 HE2 LYS 4 13.764 -15.819 1.791 24 HE3 LYS 4 HE1 LYS 4 13.875 -16.521 3.406 25 HZ1 LYS 4 HZ1 LYS 4 11.829 -17.762 1.868 26 HZ2 LYS 4 HZ2 LYS 4 13.164 -18.463 2.651 27 HZ3 LYS 4 HZ3 LYS 4 13.325 -17.855 1.073 28 H CYS 5 HN CYS 5 12.127 -12.851 0.600 29 HA CYS 5 HA CYS 5 11.358 -10.354 -0.561 30 HB2 CYS 5 HB2 CYS 5 11.942 -13.041 -1.468 31 HB3 CYS 5 HB1 CYS 5 10.507 -12.402 -2.270 32 H GLU 6 HN GLU 6 9.716 -12.280 1.513 33 HA GLU 6 HA GLU 6 7.098 -11.543 0.349 34 HB2 GLU 6 HB2 GLU 6 6.142 -13.536 1.108 35 HB3 GLU 6 HB1 GLU 6 7.718 -14.053 0.506 36 HG2 GLU 6 HG2 GLU 6 8.526 -13.609 2.947 37 HG3 GLU 6 HG1 GLU 6 6.816 -13.703 3.355 38 H ASN 7 HN ASN 7 9.086 -10.322 2.391 39 HA ASN 7 HA ASN 7 7.441 -10.258 4.802 40 HB2 ASN 7 HB2 ASN 7 9.997 -10.320 4.787 41 HB3 ASN 7 HB1 ASN 7 9.928 -8.638 4.265 42 HD21 ASN 7 HD21 ASN 7 8.253 -10.644 6.770 43 HD22 ASN 7 HD22 ASN 7 8.430 -9.494 8.005 44 H SER 8 HN SER 8 9.053 -7.600 3.068 45 HA SER 8 HA SER 8 6.478 -6.169 2.952 46 HB2 SER 8 HB2 SER 8 9.079 -4.948 3.901 47 HB3 SER 8 HB1 SER 8 7.534 -4.119 3.736 48 HG SER 8 HG SER 8 7.787 -6.451 5.302 49 H LEU 9 HN LEU 9 6.391 -4.507 1.345 50 HA LEU 9 HA LEU 9 7.567 -5.178 -1.113 51 HB2 LEU 9 HB2 LEU 9 6.587 -2.411 -0.418 52 HB3 LEU 9 HB1 LEU 9 6.537 -3.230 -1.980 53 HG LEU 9 HG LEU 9 4.924 -3.907 0.493 54 HD11 LEU 9 HD11 LEU 9 3.858 -3.403 -2.269 55 HD12 LEU 9 HD12 LEU 9 4.305 -2.035 -1.249 56 HD13 LEU 9 HD13 LEU 9 3.066 -3.169 -0.710 57 HD21 LEU 9 HD21 LEU 9 3.929 -5.655 -1.138 58 HD22 LEU 9 HD22 LEU 9 5.492 -6.022 -0.408 59 HD23 LEU 9 HD23 LEU 9 5.412 -5.431 -2.067 60 H ARG 10 HN ARG 10 8.558 -2.916 1.399 61 HA ARG 10 HA ARG 10 10.547 -1.532 -0.035 62 HB2 ARG 10 HB2 ARG 10 10.303 -2.184 2.909 63 HB3 ARG 10 HB1 ARG 10 11.526 -1.100 2.243 64 HG2 ARG 10 HG2 ARG 10 9.740 0.314 1.276 65 HG3 ARG 10 HG1 ARG 10 8.524 -0.755 1.978 66 HD2 ARG 10 HD2 ARG 10 8.614 0.694 3.733 67 HD3 ARG 10 HD1 ARG 10 10.053 -0.223 4.169 68 HE ARG 10 HE ARG 10 11.042 1.672 2.499 69 HH11 ARG 10 HH21 ARG 10 8.932 1.744 5.241 70 HH12 ARG 10 HH22 ARG 10 9.426 3.322 5.754 71 HH21 ARG 10 HH11 ARG 10 11.695 3.744 3.165 72 HH22 ARG 10 HH12 ARG 10 10.990 4.455 4.579 73 H ARG 11 HN ARG 11 10.816 -4.384 2.089 74 HA ARG 11 HA ARG 11 13.543 -4.844 1.855 75 HB2 ARG 11 HB2 ARG 11 11.351 -6.931 2.006 76 HB3 ARG 11 HB1 ARG 11 13.048 -7.175 2.422 77 HG2 ARG 11 HG2 ARG 11 11.695 -4.895 3.763 78 HG3 ARG 11 HG1 ARG 11 11.171 -6.504 4.251 79 HD2 ARG 11 HD2 ARG 11 13.449 -7.138 4.794 80 HD3 ARG 11 HD1 ARG 11 14.067 -5.622 4.145 81 HE ARG 11 HE ARG 11 12.823 -6.015 6.731 82 HH11 ARG 11 HH21 ARG 11 13.612 -3.810 4.184 83 HH12 ARG 11 HH22 ARG 11 13.576 -2.408 5.201 84 HH21 ARG 11 HH11 ARG 11 12.774 -4.181 8.070 85 HH22 ARG 11 HH12 ARG 11 13.102 -2.617 7.400 86 H GLU 12 HN GLU 12 10.907 -5.896 -0.274 87 HA GLU 12 HA GLU 12 12.521 -7.440 -2.028 88 HB2 GLU 12 HB2 GLU 12 10.122 -7.753 -2.006 89 HB3 GLU 12 HB1 GLU 12 9.858 -6.068 -2.455 90 HG2 GLU 12 HG2 GLU 12 10.516 -6.399 -4.646 91 HG3 GLU 12 HG1 GLU 12 11.587 -7.737 -4.232 92 H ILE 13 HN ILE 13 11.313 -4.099 -2.248 93 HA ILE 13 HA ILE 13 12.466 -3.471 -4.732 94 HB ILE 13 HB ILE 13 11.839 -1.700 -2.365 95 HG12 ILE 13 HG12 ILE 13 10.289 -1.926 -4.943 96 HG13 ILE 13 HG11 ILE 13 10.020 -3.088 -3.642 97 HG21 ILE 13 HG21 ILE 13 11.798 0.096 -4.172 98 HG22 ILE 13 HG22 ILE 13 12.600 -1.067 -5.226 99 HG23 ILE 13 HG23 ILE 13 13.398 -0.513 -3.757 100 HD11 ILE 13 HD11 ILE 13 8.709 -0.711 -3.827 101 HD12 ILE 13 HD12 ILE 13 10.071 -0.244 -2.811 102 HD13 ILE 13 HD13 ILE 13 8.998 -1.548 -2.302 103 H ALA 14 HN ALA 14 13.751 -3.313 -1.447 104 HA ALA 14 HA ALA 14 16.106 -1.927 -1.937 105 HB1 ALA 14 HB1 ALA 14 16.977 -2.969 0.077 106 HB2 ALA 14 HB2 ALA 14 15.692 -4.152 0.008 107 HB3 ALA 14 HB3 ALA 14 15.293 -2.473 0.310 108 H CYS 15 HN CYS 15 15.965 -5.423 -1.456 109 HA CYS 15 HA CYS 15 18.462 -6.010 -2.559 110 HB2 CYS 15 HB2 CYS 15 16.428 -7.465 -1.388 111 HB3 CYS 15 HB1 CYS 15 16.484 -8.112 -3.041 112 H GLY 16 HN GLY 16 15.384 -5.419 -4.093 113 HA2 GLY 16 HA2 GLY 16 15.863 -6.568 -6.616 114 HA3 GLY 16 HA1 GLY 16 14.779 -5.213 -6.303 115 H GLN 17 HN GLN 17 15.686 -3.054 -6.279 116 HA GLN 17 HA GLN 17 17.114 -2.275 -8.432 117 HB2 GLN 17 HB2 GLN 17 17.313 -1.039 -5.680 118 HB3 GLN 17 HB1 GLN 17 17.768 -0.247 -7.189 119 HG2 GLN 17 HG2 GLN 17 15.181 -1.240 -7.647 120 HG3 GLN 17 HG1 GLN 17 15.128 -0.579 -6.015 121 HE21 GLN 17 HE21 GLN 17 15.332 1.721 -5.764 122 HE22 GLN 17 HE22 GLN 17 15.391 2.781 -7.089 123 H CYS 18 HN CYS 18 18.515 -3.203 -5.299 124 HA CYS 18 HA CYS 18 21.177 -2.682 -5.688 125 HB2 CYS 18 HB2 CYS 18 20.414 -3.645 -3.615 126 HB3 CYS 18 HB1 CYS 18 19.905 -5.118 -4.430 127 H ARG 19 HN ARG 19 19.947 -5.979 -6.252 128 HA ARG 19 HA ARG 19 22.104 -6.738 -7.899 129 HB2 ARG 19 HB2 ARG 19 19.432 -7.871 -7.236 130 HB3 ARG 19 HB1 ARG 19 20.294 -8.513 -8.631 131 HG2 ARG 19 HG2 ARG 19 20.831 -9.779 -6.570 132 HG3 ARG 19 HG1 ARG 19 22.250 -8.994 -7.252 133 HD2 ARG 19 HD2 ARG 19 20.741 -7.347 -5.335 134 HD3 ARG 19 HD1 ARG 19 21.478 -8.767 -4.643 135 HE ARG 19 HE ARG 19 22.874 -6.506 -5.864 136 HH11 ARG 19 HH21 ARG 19 22.950 -9.682 -4.490 137 HH12 ARG 19 HH22 ARG 19 24.643 -9.650 -4.148 138 HH21 ARG 19 HH11 ARG 19 25.111 -6.453 -5.404 139 HH22 ARG 19 HH12 ARG 19 25.868 -7.824 -4.666 140 H ASP 20 HN ASP 20 19.727 -4.541 -8.533 141 HA ASP 20 HA ASP 20 19.531 -5.202 -11.395 142 HB2 ASP 20 HB2 ASP 20 17.642 -4.287 -9.617 143 HB3 ASP 20 HB1 ASP 20 18.117 -2.816 -10.454 144 H LYS 21 HN LYS 21 21.371 -3.318 -9.286 145 HA LYS 21 HA LYS 21 22.032 -1.390 -11.429 146 HB2 LYS 21 HB2 LYS 21 22.461 0.228 -9.841 147 HB3 LYS 21 HB1 LYS 21 21.144 -0.651 -9.062 148 HG2 LYS 21 HG2 LYS 21 23.002 -2.088 -8.008 149 HG3 LYS 21 HG1 LYS 21 24.097 -0.814 -8.487 150 HD2 LYS 21 HD2 LYS 21 21.679 -0.540 -6.691 151 HD3 LYS 21 HD1 LYS 21 23.371 -0.395 -6.210 152 HE2 LYS 21 HE2 LYS 21 22.762 1.845 -6.479 153 HE3 LYS 21 HE1 LYS 21 23.454 1.467 -8.057 154 HZ1 LYS 21 HZ1 LYS 21 20.669 0.814 -7.868 155 HZ2 LYS 21 HZ2 LYS 21 21.493 1.720 -9.045 156 HZ3 LYS 21 HZ3 LYS 21 20.966 2.464 -7.611 157 H VAL 22 HN VAL 22 23.148 -4.043 -9.593 158 HA VAL 22 HA VAL 22 25.899 -3.556 -10.533 159 HB VAL 22 HB VAL 22 26.456 -5.067 -8.530 160 HG11 VAL 22 HG11 VAL 22 25.974 -2.201 -8.723 161 HG12 VAL 22 HG12 VAL 22 27.336 -3.043 -7.988 162 HG13 VAL 22 HG13 VAL 22 25.854 -2.782 -7.068 163 HG21 VAL 22 HG21 VAL 22 24.142 -3.929 -7.167 164 HG22 VAL 22 HG22 VAL 22 24.926 -5.466 -6.904 165 HG23 VAL 22 HG23 VAL 22 23.811 -5.255 -8.241 166 H LYS 23 HN LYS 23 23.409 -5.959 -9.767 167 HA LYS 23 HA LYS 23 24.839 -7.884 -11.455 168 HB2 LYS 23 HB2 LYS 23 22.678 -8.496 -9.465 169 HB3 LYS 23 HB1 LYS 23 23.750 -9.645 -10.261 170 HG2 LYS 23 HG2 LYS 23 24.570 -7.505 -8.274 171 HG3 LYS 23 HG1 LYS 23 24.557 -9.247 -7.991 172 HD2 LYS 23 HD2 LYS 23 26.118 -9.314 -10.108 173 HD3 LYS 23 HD1 LYS 23 26.414 -7.623 -9.702 174 HE2 LYS 23 HE2 LYS 23 28.097 -8.848 -8.546 175 HE3 LYS 23 HE1 LYS 23 26.898 -8.435 -7.322 176 HZ1 LYS 23 HZ1 LYS 23 27.425 -11.031 -8.601 177 HZ2 LYS 23 HZ2 LYS 23 25.876 -10.695 -7.989 178 HZ3 LYS 23 HZ3 LYS 23 27.224 -10.667 -6.956 179 H THR 24 HN THR 24 21.908 -9.143 -10.975 180 HA THR 24 HA THR 24 20.499 -7.684 -13.083 181 HB THR 24 HB THR 24 21.882 -9.368 -14.271 182 HG1 THR 24 HG1 THR 24 20.209 -9.373 -15.510 183 HG21 THR 24 HG21 THR 24 20.314 -11.658 -13.348 184 HG22 THR 24 HG22 THR 24 21.309 -10.957 -12.071 185 HG23 THR 24 HG23 THR 24 22.057 -11.508 -13.570 186 H ASP 25 HN ASP 25 18.276 -8.647 -13.424 187 HA ASP 25 HA ASP 25 16.898 -8.783 -10.978 188 HB2 ASP 25 HB2 ASP 25 14.950 -9.458 -12.352 189 HB3 ASP 25 HB1 ASP 25 15.801 -8.076 -13.039 190 H GLY 26 HN GLY 26 18.766 -11.122 -12.508 191 HA2 GLY 26 HA2 GLY 26 17.266 -13.455 -11.723 192 HA3 GLY 26 HA1 GLY 26 18.914 -13.429 -12.344 193 H TYR 27 HN TYR 27 20.356 -12.028 -10.631 194 HA TYR 27 HA TYR 27 20.693 -13.741 -8.413 195 HB2 TYR 27 HB2 TYR 27 21.911 -11.248 -9.408 196 HB3 TYR 27 HB1 TYR 27 22.011 -11.478 -7.663 197 HD1 TYR 27 HD1 TYR 27 22.141 -13.814 -10.601 198 HD2 TYR 27 HD2 TYR 27 24.080 -12.364 -7.051 199 HE1 TYR 27 HE1 TYR 27 23.963 -15.464 -10.922 200 HE2 TYR 27 HE2 TYR 27 25.901 -14.014 -7.373 201 HH TYR 27 HH TYR 27 25.679 -16.643 -9.308 202 H PHE 28 HN PHE 28 18.869 -10.791 -8.871 203 HA PHE 28 HA PHE 28 18.479 -9.812 -6.351 204 HB2 PHE 28 HB2 PHE 28 17.205 -8.621 -7.819 205 HB3 PHE 28 HB1 PHE 28 16.767 -10.047 -8.757 206 HD1 PHE 28 HD1 PHE 28 16.230 -8.557 -5.355 207 HD2 PHE 28 HD2 PHE 28 14.595 -10.891 -8.569 208 HE1 PHE 28 HE1 PHE 28 14.055 -8.667 -4.168 209 HE2 PHE 28 HE2 PHE 28 12.421 -11.001 -7.384 210 HZ PHE 28 HZ PHE 28 12.150 -9.890 -5.184 211 H TYR 29 HN TYR 29 17.222 -12.819 -7.663 212 HA TYR 29 HA TYR 29 15.439 -13.351 -5.480 213 HB2 TYR 29 HB2 TYR 29 16.559 -15.013 -7.731 214 HB3 TYR 29 HB1 TYR 29 15.559 -15.727 -6.466 215 HD1 TYR 29 HD2 TYR 29 13.240 -14.789 -6.052 216 HD2 TYR 29 HD1 TYR 29 15.595 -13.729 -9.485 217 HE1 TYR 29 HE2 TYR 29 11.201 -13.962 -7.196 218 HE2 TYR 29 HE1 TYR 29 13.556 -12.901 -10.629 219 HH TYR 29 HH TYR 29 11.371 -12.205 -10.212 220 H GLU 30 HN GLU 30 18.677 -14.515 -6.387 221 HA GLU 30 HA GLU 30 19.052 -16.286 -4.250 222 HB2 GLU 30 HB2 GLU 30 20.703 -15.032 -6.297 223 HB3 GLU 30 HB1 GLU 30 21.574 -15.248 -4.780 224 HG2 GLU 30 HG2 GLU 30 21.081 -17.605 -4.740 225 HG3 GLU 30 HG1 GLU 30 19.964 -17.449 -6.094 226 H CYS 31 HN CYS 31 19.457 -12.783 -4.460 227 HA CYS 31 HA CYS 31 20.842 -12.498 -1.991 228 HB2 CYS 31 HB2 CYS 31 20.734 -10.230 -2.404 229 HB3 CYS 31 HB1 CYS 31 20.598 -10.857 -4.031 230 H CYS 32 HN CYS 32 17.444 -12.238 -2.979 231 HA CYS 32 HA CYS 32 16.376 -11.344 -0.550 232 HB2 CYS 32 HB2 CYS 32 15.385 -12.328 -3.041 233 HB3 CYS 32 HB1 CYS 32 14.543 -13.170 -1.740 234 H THR 33 HN THR 33 17.322 -14.554 -1.624 235 HA THR 33 HA THR 33 16.165 -15.879 0.680 236 HB THR 33 HB THR 33 17.260 -17.892 -0.233 237 HG1 THR 33 HG1 THR 33 18.176 -17.281 -2.480 238 HG21 THR 33 HG21 THR 33 15.677 -16.099 -2.064 239 HG22 THR 33 HG22 THR 33 15.133 -17.519 -1.171 240 HG23 THR 33 HG23 THR 33 16.175 -17.708 -2.584 241 H SER 34 HN SER 34 19.469 -15.236 -0.505 242 HA SER 34 HA SER 34 20.722 -16.185 1.890 243 HB2 SER 34 HB2 SER 34 21.685 -14.611 -0.492 244 HB3 SER 34 HB1 SER 34 22.732 -14.935 0.887 245 HG SER 34 HG SER 34 23.001 -16.604 -0.541 246 H ASP 35 HN ASP 35 21.660 -15.004 3.558 247 HA ASP 35 HA ASP 35 20.391 -12.431 4.081 248 HB2 ASP 35 HB2 ASP 35 22.356 -13.625 5.976 249 HB3 ASP 35 HB1 ASP 35 20.824 -12.815 6.302 250 H SER 36 HN SER 36 23.728 -13.662 4.434 251 HA SER 36 HA SER 36 25.090 -11.329 4.742 252 HB2 SER 36 HB2 SER 36 25.845 -13.894 4.307 253 HB3 SER 36 HB1 SER 36 26.329 -13.162 2.780 254 HG SER 36 HG SER 36 27.914 -13.074 4.523 255 H THR 37 HN THR 37 24.089 -12.740 1.636 256 HA THR 37 HA THR 37 25.205 -10.735 -0.008 257 HB THR 37 HB THR 37 22.748 -12.407 -0.581 258 HG1 THR 37 HG1 THR 37 24.434 -13.745 0.009 259 HG21 THR 37 HG21 THR 37 24.107 -10.400 -2.052 260 HG22 THR 37 HG22 THR 37 22.836 -11.477 -2.626 261 HG23 THR 37 HG23 THR 37 24.528 -11.944 -2.792 262 H PHE 38 HN PHE 38 22.041 -11.049 1.542 263 HA PHE 38 HA PHE 38 20.890 -8.749 0.306 264 HB2 PHE 38 HB2 PHE 38 19.297 -10.220 1.159 265 HB3 PHE 38 HB1 PHE 38 20.186 -10.470 2.661 266 HD1 PHE 38 HD1 PHE 38 18.447 -7.781 0.713 267 HD2 PHE 38 HD2 PHE 38 19.574 -9.272 4.580 268 HE1 PHE 38 HE1 PHE 38 17.131 -5.978 1.791 269 HE2 PHE 38 HE2 PHE 38 18.258 -7.469 5.659 270 HZ PHE 38 HZ PHE 38 17.037 -5.821 4.265 271 H LYS 39 HN LYS 39 22.827 -9.288 3.174 272 HA LYS 39 HA LYS 39 22.336 -6.769 4.412 273 HB2 LYS 39 HB2 LYS 39 24.532 -8.822 4.675 274 HB3 LYS 39 HB1 LYS 39 24.547 -7.317 5.593 275 HG2 LYS 39 HG2 LYS 39 22.034 -8.944 5.594 276 HG3 LYS 39 HG1 LYS 39 23.390 -9.508 6.572 277 HD2 LYS 39 HD2 LYS 39 22.653 -6.616 6.749 278 HD3 LYS 39 HD1 LYS 39 21.603 -7.785 7.549 279 HE2 LYS 39 HE2 LYS 39 23.495 -8.685 8.804 280 HE3 LYS 39 HE1 LYS 39 24.605 -7.615 7.947 281 HZ1 LYS 39 HZ1 LYS 39 23.458 -5.716 8.877 282 HZ2 LYS 39 HZ2 LYS 39 23.996 -6.738 10.123 283 HZ3 LYS 39 HZ3 LYS 39 22.357 -6.729 9.674 284 H LYS 40 HN LYS 40 24.450 -7.847 1.865 285 HA LYS 40 HA LYS 40 26.131 -5.489 1.962 286 HB2 LYS 40 HB2 LYS 40 26.771 -7.879 1.148 287 HB3 LYS 40 HB1 LYS 40 25.991 -7.397 -0.359 288 HG2 LYS 40 HG2 LYS 40 27.467 -5.444 -0.526 289 HG3 LYS 40 HG1 LYS 40 28.228 -5.870 1.007 290 HD2 LYS 40 HD2 LYS 40 28.197 -8.103 -0.879 291 HD3 LYS 40 HD1 LYS 40 29.075 -6.705 -1.501 292 HE2 LYS 40 HE2 LYS 40 29.528 -7.978 1.214 293 HE3 LYS 40 HE1 LYS 40 30.556 -8.212 -0.200 294 HZ1 LYS 40 HZ1 LYS 40 29.973 -5.470 0.634 295 HZ2 LYS 40 HZ2 LYS 40 31.377 -6.114 -0.074 296 HZ3 LYS 40 HZ3 LYS 40 31.062 -6.363 1.577 297 H CYS 41 HN CYS 41 23.194 -6.468 0.435 298 HA CYS 41 HA CYS 41 23.298 -4.586 -1.736 299 HB2 CYS 41 HB2 CYS 41 21.322 -6.507 -0.632 300 HB3 CYS 41 HB1 CYS 41 20.673 -5.134 -1.530 301 H GLN 42 HN GLN 42 21.182 -4.740 1.140 302 HA GLN 42 HA GLN 42 19.969 -2.314 1.017 303 HB2 GLN 42 HB2 GLN 42 19.858 -2.365 3.487 304 HB3 GLN 42 HB1 GLN 42 19.493 -3.940 2.782 305 HG2 GLN 42 HG2 GLN 42 21.066 -4.750 4.193 306 HG3 GLN 42 HG1 GLN 42 22.237 -4.040 3.084 307 HE21 GLN 42 HE21 GLN 42 21.132 -3.974 6.314 308 HE22 GLN 42 HE22 GLN 42 21.901 -2.539 6.793 309 H ASP 43 HN ASP 43 23.281 -3.005 2.030 310 HA ASP 43 HA ASP 43 23.970 -0.531 3.140 311 HB2 ASP 43 HB2 ASP 43 25.293 -2.877 2.625 312 HB3 ASP 43 HB1 ASP 43 26.060 -1.768 1.488 313 H LEU 44 HN LEU 44 23.780 -1.579 -0.221 314 HA LEU 44 HA LEU 44 24.980 0.786 -1.312 315 HB2 LEU 44 HB2 LEU 44 23.095 -1.098 -2.736 316 HB3 LEU 44 HB1 LEU 44 24.354 -0.085 -3.444 317 HG LEU 44 HG LEU 44 24.788 -2.440 -1.586 318 HD11 LEU 44 HD11 LEU 44 24.964 -3.677 -3.458 319 HD12 LEU 44 HD12 LEU 44 26.149 -2.552 -4.123 320 HD13 LEU 44 HD13 LEU 44 24.428 -2.281 -4.392 321 HD21 LEU 44 HD21 LEU 44 27.239 -1.898 -2.443 322 HD22 LEU 44 HD22 LEU 44 26.573 -1.049 -1.049 323 HD23 LEU 44 HD23 LEU 44 26.579 -0.275 -2.635 324 H LEU 45 HN LEU 45 21.606 -0.384 -1.151 325 HA LEU 45 HA LEU 45 20.418 1.887 -2.238 326 HB2 LEU 45 HB2 LEU 45 19.547 -0.464 -0.707 327 HB3 LEU 45 HB1 LEU 45 18.542 0.956 -0.428 328 HG LEU 45 HG LEU 45 17.721 -0.383 -2.339 329 HD11 LEU 45 HD11 LEU 45 18.695 1.915 -3.838 330 HD12 LEU 45 HD12 LEU 45 18.107 2.362 -2.236 331 HD13 LEU 45 HD13 LEU 45 17.047 1.516 -3.360 332 HD21 LEU 45 HD21 LEU 45 19.743 0.342 -4.251 333 HD22 LEU 45 HD22 LEU 45 19.139 -1.270 -3.831 334 HD23 LEU 45 HD23 LEU 45 20.476 -0.574 -2.937 335 H HIS 46 HN HIS 46 20.932 1.032 1.174 336 HA HIS 46 HA HIS 46 19.975 3.595 2.110 337 HB2 HIS 46 HB2 HIS 46 19.874 1.451 3.429 338 HB3 HIS 46 HB1 HIS 46 21.622 1.565 3.629 339 HD1 HIS 46 HD1 HIS 46 18.511 3.668 4.298 340 HD2 HIS 46 HD2 HIS 46 22.385 3.169 5.754 341 HE1 HIS 46 HE1 HIS 46 18.704 5.148 6.344 Start of MODEL 19 1 HA ALA 1 HA ALA 1 14.163 -19.195 9.464 2 HB1 ALA 1 HB1 ALA 1 11.292 -19.850 9.553 3 HB2 ALA 1 HB2 ALA 1 11.973 -19.390 11.115 4 HB3 ALA 1 HB3 ALA 1 12.669 -20.736 10.211 5 H ASP 2 HN ASP 2 11.434 -17.196 8.482 6 HA ASP 2 HA ASP 2 12.062 -17.802 5.674 7 HB2 ASP 2 HB2 ASP 2 9.682 -18.038 5.130 8 HB3 ASP 2 HB1 ASP 2 10.179 -19.261 6.298 9 H ASN 3 HN ASN 3 9.317 -16.301 5.335 10 HA ASN 3 HA ASN 3 8.719 -14.163 4.759 11 HB2 ASN 3 HB2 ASN 3 10.386 -13.350 7.145 12 HB3 ASN 3 HB1 ASN 3 9.004 -12.498 6.457 13 HD21 ASN 3 HD21 ASN 3 6.868 -13.279 6.974 14 HD22 ASN 3 HD22 ASN 3 6.606 -14.492 8.132 15 H LYS 4 HN LYS 4 9.728 -13.791 2.831 16 HA LYS 4 HA LYS 4 12.274 -12.305 2.968 17 HB2 LYS 4 HB2 LYS 4 12.663 -13.480 0.629 18 HB3 LYS 4 HB1 LYS 4 13.104 -14.293 2.130 19 HG2 LYS 4 HG2 LYS 4 11.330 -15.764 2.031 20 HG3 LYS 4 HG1 LYS 4 10.311 -14.642 1.127 21 HD2 LYS 4 HD2 LYS 4 11.565 -15.031 -0.903 22 HD3 LYS 4 HD1 LYS 4 12.766 -15.984 -0.033 23 HE2 LYS 4 HE2 LYS 4 11.524 -17.844 -0.272 24 HE3 LYS 4 HE1 LYS 4 10.141 -17.053 0.484 25 HZ1 LYS 4 HZ1 LYS 4 10.325 -17.800 -2.125 26 HZ2 LYS 4 HZ2 LYS 4 10.621 -16.127 -2.180 27 HZ3 LYS 4 HZ3 LYS 4 9.189 -16.717 -1.480 28 H CYS 5 HN CYS 5 10.969 -13.142 -0.095 29 HA CYS 5 HA CYS 5 10.527 -10.391 -0.772 30 HB2 CYS 5 HB2 CYS 5 10.469 -13.006 -2.172 31 HB3 CYS 5 HB1 CYS 5 9.464 -11.737 -2.867 32 H GLU 6 HN GLU 6 8.835 -11.732 1.350 33 HA GLU 6 HA GLU 6 6.214 -10.963 0.221 34 HB2 GLU 6 HB2 GLU 6 5.235 -12.713 1.763 35 HB3 GLU 6 HB1 GLU 6 6.143 -13.346 0.390 36 HG2 GLU 6 HG2 GLU 6 7.745 -14.247 1.713 37 HG3 GLU 6 HG1 GLU 6 7.806 -12.826 2.754 38 H ASN 7 HN ASN 7 8.556 -10.125 2.322 39 HA ASN 7 HA ASN 7 6.916 -9.498 4.628 40 HB2 ASN 7 HB2 ASN 7 9.027 -8.271 5.346 41 HB3 ASN 7 HB1 ASN 7 9.185 -10.012 5.113 42 HD21 ASN 7 HD21 ASN 7 11.546 -9.588 4.716 43 HD22 ASN 7 HD22 ASN 7 12.040 -9.029 3.191 44 H SER 8 HN SER 8 9.077 -7.009 3.922 45 HA SER 8 HA SER 8 6.836 -5.201 3.307 46 HB2 SER 8 HB2 SER 8 9.341 -3.860 3.800 47 HB3 SER 8 HB1 SER 8 7.833 -3.765 4.707 48 HG SER 8 HG SER 8 9.996 -4.803 5.566 49 H LEU 9 HN LEU 9 6.674 -4.186 1.388 50 HA LEU 9 HA LEU 9 8.013 -4.973 -0.883 51 HB2 LEU 9 HB2 LEU 9 6.970 -2.168 -0.491 52 HB3 LEU 9 HB1 LEU 9 7.022 -3.112 -1.980 53 HG LEU 9 HG LEU 9 5.578 -4.726 -0.222 54 HD11 LEU 9 HD11 LEU 9 5.446 -2.716 1.290 55 HD12 LEU 9 HD12 LEU 9 3.873 -3.297 0.742 56 HD13 LEU 9 HD13 LEU 9 4.593 -1.866 0.002 57 HD21 LEU 9 HD21 LEU 9 4.634 -2.740 -2.304 58 HD22 LEU 9 HD22 LEU 9 3.653 -4.057 -1.664 59 HD23 LEU 9 HD23 LEU 9 5.106 -4.412 -2.600 60 H ARG 10 HN ARG 10 8.911 -2.510 1.455 61 HA ARG 10 HA ARG 10 10.865 -1.121 0.049 62 HB2 ARG 10 HB2 ARG 10 10.918 -1.917 2.969 63 HB3 ARG 10 HB1 ARG 10 11.852 -0.612 2.235 64 HG2 ARG 10 HG2 ARG 10 9.784 0.546 1.606 65 HG3 ARG 10 HG1 ARG 10 8.824 -0.776 2.268 66 HD2 ARG 10 HD2 ARG 10 10.745 0.157 4.223 67 HD3 ARG 10 HD1 ARG 10 9.753 1.493 3.648 68 HE ARG 10 HE ARG 10 8.849 -0.801 5.192 69 HH11 ARG 10 HH21 ARG 10 8.050 1.855 3.121 70 HH12 ARG 10 HH22 ARG 10 6.402 1.948 3.646 71 HH21 ARG 10 HH11 ARG 10 6.688 -0.684 5.884 72 HH22 ARG 10 HH12 ARG 10 5.631 0.510 5.210 73 H ARG 11 HN ARG 11 10.988 -4.297 1.537 74 HA ARG 11 HA ARG 11 13.810 -4.642 1.401 75 HB2 ARG 11 HB2 ARG 11 11.702 -6.808 1.336 76 HB3 ARG 11 HB1 ARG 11 13.376 -6.960 1.870 77 HG2 ARG 11 HG2 ARG 11 11.252 -5.231 3.176 78 HG3 ARG 11 HG1 ARG 11 11.858 -6.766 3.803 79 HD2 ARG 11 HD2 ARG 11 13.218 -5.308 4.975 80 HD3 ARG 11 HD1 ARG 11 14.208 -5.545 3.539 81 HE ARG 11 HE ARG 11 12.521 -3.388 3.006 82 HH11 ARG 11 HH21 ARG 11 15.013 -4.278 5.235 83 HH12 ARG 11 HH22 ARG 11 15.580 -2.657 5.462 84 HH21 ARG 11 HH11 ARG 11 13.260 -1.260 3.298 85 HH22 ARG 11 HH12 ARG 11 14.588 -0.948 4.366 86 H GLU 12 HN GLU 12 11.230 -6.098 -0.595 87 HA GLU 12 HA GLU 12 12.826 -7.252 -2.535 88 HB2 GLU 12 HB2 GLU 12 10.242 -7.318 -2.224 89 HB3 GLU 12 HB1 GLU 12 10.235 -5.894 -3.264 90 HG2 GLU 12 HG2 GLU 12 11.691 -7.272 -4.875 91 HG3 GLU 12 HG1 GLU 12 11.217 -8.673 -3.916 92 H ILE 13 HN ILE 13 11.735 -3.898 -2.285 93 HA ILE 13 HA ILE 13 12.708 -3.090 -4.844 94 HB ILE 13 HB ILE 13 12.109 -1.475 -2.355 95 HG12 ILE 13 HG12 ILE 13 10.444 -1.731 -4.862 96 HG13 ILE 13 HG11 ILE 13 10.260 -2.859 -3.518 97 HG21 ILE 13 HG21 ILE 13 11.881 0.372 -4.119 98 HG22 ILE 13 HG22 ILE 13 12.742 -0.711 -5.212 99 HG23 ILE 13 HG23 ILE 13 13.523 -0.144 -3.737 100 HD11 ILE 13 HD11 ILE 13 8.820 -0.624 -3.644 101 HD12 ILE 13 HD12 ILE 13 10.262 0.067 -2.901 102 HD13 ILE 13 HD13 ILE 13 9.399 -1.247 -2.101 103 H ALA 14 HN ALA 14 14.011 -2.893 -1.539 104 HA ALA 14 HA ALA 14 16.351 -1.506 -2.068 105 HB1 ALA 14 HB1 ALA 14 17.239 -2.511 -0.058 106 HB2 ALA 14 HB2 ALA 14 15.997 -3.749 -0.124 107 HB3 ALA 14 HB3 ALA 14 15.542 -2.079 0.186 108 H CYS 15 HN CYS 15 16.291 -4.998 -1.538 109 HA CYS 15 HA CYS 15 18.769 -5.539 -2.703 110 HB2 CYS 15 HB2 CYS 15 16.784 -7.015 -1.437 111 HB3 CYS 15 HB1 CYS 15 16.864 -7.727 -3.050 112 H GLY 16 HN GLY 16 15.656 -4.984 -4.136 113 HA2 GLY 16 HA2 GLY 16 16.000 -6.225 -6.636 114 HA3 GLY 16 HA1 GLY 16 14.967 -4.831 -6.325 115 H GLN 17 HN GLN 17 15.949 -2.698 -6.361 116 HA GLN 17 HA GLN 17 17.358 -2.061 -8.609 117 HB2 GLN 17 HB2 GLN 17 17.680 -0.596 -5.987 118 HB3 GLN 17 HB1 GLN 17 17.853 0.069 -7.612 119 HG2 GLN 17 HG2 GLN 17 15.357 -0.977 -7.795 120 HG3 GLN 17 HG1 GLN 17 15.393 -0.564 -6.081 121 HE21 GLN 17 HE21 GLN 17 16.659 1.794 -5.861 122 HE22 GLN 17 HE22 GLN 17 15.979 2.987 -6.859 123 H CYS 18 HN CYS 18 18.676 -2.954 -5.451 124 HA CYS 18 HA CYS 18 21.360 -2.403 -5.820 125 HB2 CYS 18 HB2 CYS 18 20.473 -3.236 -3.698 126 HB3 CYS 18 HB1 CYS 18 20.130 -4.795 -4.442 127 H ARG 19 HN ARG 19 19.809 -5.580 -6.475 128 HA ARG 19 HA ARG 19 22.117 -6.458 -7.966 129 HB2 ARG 19 HB2 ARG 19 19.504 -7.608 -7.138 130 HB3 ARG 19 HB1 ARG 19 20.326 -8.325 -8.522 131 HG2 ARG 19 HG2 ARG 19 20.961 -9.417 -6.375 132 HG3 ARG 19 HG1 ARG 19 22.334 -8.691 -7.208 133 HD2 ARG 19 HD2 ARG 19 20.881 -6.954 -5.301 134 HD3 ARG 19 HD1 ARG 19 21.822 -8.262 -4.604 135 HE ARG 19 HE ARG 19 22.873 -6.026 -6.196 136 HH11 ARG 19 HH21 ARG 19 23.392 -8.966 -4.422 137 HH12 ARG 19 HH22 ARG 19 25.094 -8.714 -4.240 138 HH21 ARG 19 HH11 ARG 19 25.113 -5.698 -5.929 139 HH22 ARG 19 HH12 ARG 19 26.065 -6.880 -5.097 140 H ASP 20 HN ASP 20 19.842 -4.285 -8.724 141 HA ASP 20 HA ASP 20 19.460 -5.218 -11.491 142 HB2 ASP 20 HB2 ASP 20 17.689 -4.057 -9.771 143 HB3 ASP 20 HB1 ASP 20 18.242 -2.662 -10.690 144 H LYS 21 HN LYS 21 21.477 -3.207 -9.637 145 HA LYS 21 HA LYS 21 22.106 -1.523 -11.997 146 HB2 LYS 21 HB2 LYS 21 22.982 0.115 -10.501 147 HB3 LYS 21 HB1 LYS 21 21.463 -0.423 -9.784 148 HG2 LYS 21 HG2 LYS 21 22.752 -2.030 -8.407 149 HG3 LYS 21 HG1 LYS 21 24.247 -1.313 -8.985 150 HD2 LYS 21 HD2 LYS 21 23.334 0.903 -8.149 151 HD3 LYS 21 HD1 LYS 21 22.068 -0.027 -7.346 152 HE2 LYS 21 HE2 LYS 21 23.814 -1.347 -6.162 153 HE3 LYS 21 HE1 LYS 21 25.056 -0.353 -6.924 154 HZ1 LYS 21 HZ1 LYS 21 22.917 0.587 -5.094 155 HZ2 LYS 21 HZ2 LYS 21 24.012 1.604 -5.902 156 HZ3 LYS 21 HZ3 LYS 21 24.575 0.493 -4.746 157 H VAL 22 HN VAL 22 23.089 -4.299 -10.499 158 HA VAL 22 HA VAL 22 25.796 -4.007 -11.563 159 HB VAL 22 HB VAL 22 26.276 -5.548 -9.444 160 HG11 VAL 22 HG11 VAL 22 26.230 -2.519 -9.488 161 HG12 VAL 22 HG12 VAL 22 27.546 -3.544 -10.056 162 HG13 VAL 22 HG13 VAL 22 27.156 -3.483 -8.336 163 HG21 VAL 22 HG21 VAL 22 25.071 -5.029 -7.551 164 HG22 VAL 22 HG22 VAL 22 23.816 -5.069 -8.785 165 HG23 VAL 22 HG23 VAL 22 24.459 -3.524 -8.232 166 H LYS 23 HN LYS 23 23.545 -6.324 -10.003 167 HA LYS 23 HA LYS 23 24.554 -8.440 -11.763 168 HB2 LYS 23 HB2 LYS 23 22.506 -8.732 -9.574 169 HB3 LYS 23 HB1 LYS 23 23.526 -9.979 -10.293 170 HG2 LYS 23 HG2 LYS 23 24.460 -7.659 -8.581 171 HG3 LYS 23 HG1 LYS 23 24.447 -9.363 -8.125 172 HD2 LYS 23 HD2 LYS 23 25.916 -9.687 -10.264 173 HD3 LYS 23 HD1 LYS 23 26.215 -7.955 -10.111 174 HE2 LYS 23 HE2 LYS 23 26.737 -10.058 -7.989 175 HE3 LYS 23 HE1 LYS 23 27.957 -9.190 -8.920 176 HZ1 LYS 23 HZ1 LYS 23 26.908 -8.414 -6.525 177 HZ2 LYS 23 HZ2 LYS 23 26.103 -7.427 -7.649 178 HZ3 LYS 23 HZ3 LYS 23 27.801 -7.438 -7.588 179 H THR 24 HN THR 24 21.812 -9.731 -11.204 180 HA THR 24 HA THR 24 20.208 -8.257 -13.186 181 HB THR 24 HB THR 24 21.299 -9.914 -14.523 182 HG1 THR 24 HG1 THR 24 19.186 -9.881 -15.047 183 HG21 THR 24 HG21 THR 24 20.962 -12.389 -13.777 184 HG22 THR 24 HG22 THR 24 20.702 -11.698 -12.175 185 HG23 THR 24 HG23 THR 24 22.234 -11.440 -13.009 186 H ASP 25 HN ASP 25 18.057 -9.800 -13.431 187 HA ASP 25 HA ASP 25 16.651 -9.426 -11.011 188 HB2 ASP 25 HB2 ASP 25 14.898 -9.732 -12.366 189 HB3 ASP 25 HB1 ASP 25 16.021 -10.099 -13.675 190 H GLY 26 HN GLY 26 18.003 -12.337 -12.531 191 HA2 GLY 26 HA2 GLY 26 17.038 -14.272 -10.779 192 HA3 GLY 26 HA1 GLY 26 18.567 -14.386 -11.646 193 H TYR 27 HN TYR 27 19.808 -12.101 -10.454 194 HA TYR 27 HA TYR 27 20.846 -13.310 -8.087 195 HB2 TYR 27 HB2 TYR 27 21.742 -11.420 -9.871 196 HB3 TYR 27 HB1 TYR 27 21.421 -10.465 -8.425 197 HD1 TYR 27 HD2 TYR 27 22.392 -11.277 -6.192 198 HD2 TYR 27 HD1 TYR 27 23.647 -12.820 -10.000 199 HE1 TYR 27 HE2 TYR 27 24.465 -12.156 -5.153 200 HE2 TYR 27 HE1 TYR 27 25.720 -13.698 -8.960 201 HH TYR 27 HH TYR 27 27.129 -13.059 -6.847 202 H PHE 28 HN PHE 28 18.704 -10.556 -8.722 203 HA PHE 28 HA PHE 28 18.462 -9.486 -6.189 204 HB2 PHE 28 HB2 PHE 28 17.117 -8.206 -7.459 205 HB3 PHE 28 HB1 PHE 28 16.881 -9.500 -8.634 206 HD1 PHE 28 HD1 PHE 28 15.882 -8.566 -5.137 207 HD2 PHE 28 HD2 PHE 28 14.762 -10.471 -8.823 208 HE1 PHE 28 HE1 PHE 28 13.607 -8.968 -4.238 209 HE2 PHE 28 HE2 PHE 28 12.488 -10.873 -7.923 210 HZ PHE 28 HZ PHE 28 11.911 -10.123 -5.630 211 H TYR 29 HN TYR 29 16.633 -12.204 -7.586 212 HA TYR 29 HA TYR 29 15.037 -12.705 -5.302 213 HB2 TYR 29 HB2 TYR 29 14.638 -13.584 -7.636 214 HB3 TYR 29 HB1 TYR 29 15.932 -14.748 -7.345 215 HD1 TYR 29 HD1 TYR 29 12.665 -13.534 -6.002 216 HD2 TYR 29 HD2 TYR 29 15.524 -16.736 -6.138 217 HE1 TYR 29 HE1 TYR 29 11.073 -15.007 -4.799 218 HE2 TYR 29 HE2 TYR 29 13.932 -18.210 -4.935 219 HH TYR 29 HH TYR 29 12.019 -18.093 -3.537 220 H GLU 30 HN GLU 30 18.057 -14.213 -6.429 221 HA GLU 30 HA GLU 30 18.479 -16.131 -4.532 222 HB2 GLU 30 HB2 GLU 30 20.109 -14.652 -6.355 223 HB3 GLU 30 HB1 GLU 30 20.963 -14.778 -4.818 224 HG2 GLU 30 HG2 GLU 30 21.495 -16.716 -6.206 225 HG3 GLU 30 HG1 GLU 30 20.532 -17.232 -4.822 226 H CYS 31 HN CYS 31 18.979 -12.640 -4.191 227 HA CYS 31 HA CYS 31 20.109 -12.775 -1.579 228 HB2 CYS 31 HB2 CYS 31 20.538 -10.656 -2.168 229 HB3 CYS 31 HB1 CYS 31 19.370 -10.730 -3.485 230 H CYS 32 HN CYS 32 16.856 -11.880 -2.749 231 HA CYS 32 HA CYS 32 15.522 -11.349 -0.456 232 HB2 CYS 32 HB2 CYS 32 14.756 -11.984 -3.016 233 HB3 CYS 32 HB1 CYS 32 14.041 -13.296 -2.078 234 H THR 33 HN THR 33 16.670 -14.496 -1.506 235 HA THR 33 HA THR 33 15.358 -15.890 0.692 236 HB THR 33 HB THR 33 16.235 -17.897 -0.272 237 HG1 THR 33 HG1 THR 33 18.152 -16.183 -1.125 238 HG21 THR 33 HG21 THR 33 15.458 -15.902 -2.419 239 HG22 THR 33 HG22 THR 33 14.379 -16.977 -1.533 240 HG23 THR 33 HG23 THR 33 15.547 -17.643 -2.676 241 H SER 34 HN SER 34 18.660 -15.080 -0.334 242 HA SER 34 HA SER 34 19.793 -16.121 2.133 243 HB2 SER 34 HB2 SER 34 20.873 -14.963 -0.398 244 HB3 SER 34 HB1 SER 34 21.885 -14.912 1.044 245 HG SER 34 HG SER 34 21.998 -16.859 -0.343 246 H ASP 35 HN ASP 35 20.383 -14.969 3.888 247 HA ASP 35 HA ASP 35 19.554 -12.176 4.007 248 HB2 ASP 35 HB2 ASP 35 18.957 -13.726 5.834 249 HB3 ASP 35 HB1 ASP 35 20.670 -13.980 6.162 250 H SER 36 HN SER 36 22.507 -14.096 4.452 251 HA SER 36 HA SER 36 24.230 -12.002 5.161 252 HB2 SER 36 HB2 SER 36 24.560 -14.733 4.038 253 HB3 SER 36 HB1 SER 36 25.927 -13.633 3.884 254 HG SER 36 HG SER 36 24.835 -14.826 6.112 255 H THR 37 HN THR 37 22.510 -12.340 2.347 256 HA THR 37 HA THR 37 24.541 -10.984 0.700 257 HB THR 37 HB THR 37 21.895 -12.110 -0.220 258 HG1 THR 37 HG1 THR 37 24.425 -13.349 -0.419 259 HG21 THR 37 HG21 THR 37 23.264 -10.399 -1.593 260 HG22 THR 37 HG22 THR 37 22.786 -11.893 -2.400 261 HG23 THR 37 HG23 THR 37 24.433 -11.704 -1.798 262 H PHE 38 HN PHE 38 21.239 -10.707 1.928 263 HA PHE 38 HA PHE 38 20.652 -8.238 0.622 264 HB2 PHE 38 HB2 PHE 38 18.767 -9.463 1.317 265 HB3 PHE 38 HB1 PHE 38 19.430 -9.736 2.928 266 HD1 PHE 38 HD2 PHE 38 19.476 -7.923 4.602 267 HD2 PHE 38 HD1 PHE 38 17.695 -7.367 0.732 268 HE1 PHE 38 HE2 PHE 38 18.348 -5.870 5.415 269 HE2 PHE 38 HE1 PHE 38 16.568 -5.313 1.546 270 HZ PHE 38 HZ PHE 38 16.894 -4.565 3.888 271 H LYS 39 HN LYS 39 22.670 -9.037 3.209 272 HA LYS 39 HA LYS 39 22.361 -6.566 4.684 273 HB2 LYS 39 HB2 LYS 39 23.764 -7.502 6.238 274 HB3 LYS 39 HB1 LYS 39 23.238 -8.980 5.434 275 HG2 LYS 39 HG2 LYS 39 25.257 -8.675 3.877 276 HG3 LYS 39 HG1 LYS 39 25.828 -7.463 5.022 277 HD2 LYS 39 HD2 LYS 39 25.125 -9.630 6.628 278 HD3 LYS 39 HD1 LYS 39 25.900 -10.362 5.221 279 HE2 LYS 39 HE2 LYS 39 27.829 -8.852 5.488 280 HE3 LYS 39 HE1 LYS 39 27.058 -8.110 6.892 281 HZ1 LYS 39 HZ1 LYS 39 28.692 -9.855 7.456 282 HZ2 LYS 39 HZ2 LYS 39 27.701 -10.998 6.680 283 HZ3 LYS 39 HZ3 LYS 39 27.136 -10.171 8.053 284 H LYS 40 HN LYS 40 24.217 -7.717 2.005 285 HA LYS 40 HA LYS 40 26.182 -5.570 2.210 286 HB2 LYS 40 HB2 LYS 40 27.070 -7.669 1.467 287 HB3 LYS 40 HB1 LYS 40 25.801 -7.843 0.252 288 HG2 LYS 40 HG2 LYS 40 26.728 -6.226 -1.147 289 HG3 LYS 40 HG1 LYS 40 27.584 -5.430 0.174 290 HD2 LYS 40 HD2 LYS 40 29.149 -6.675 -1.282 291 HD3 LYS 40 HD1 LYS 40 29.121 -7.347 0.348 292 HE2 LYS 40 HE2 LYS 40 28.061 -9.279 -0.316 293 HE3 LYS 40 HE1 LYS 40 27.188 -8.478 -1.621 294 HZ1 LYS 40 HZ1 LYS 40 29.466 -9.994 -1.854 295 HZ2 LYS 40 HZ2 LYS 40 29.996 -8.392 -2.052 296 HZ3 LYS 40 HZ3 LYS 40 28.773 -9.015 -3.053 297 H CYS 41 HN CYS 41 23.225 -6.310 0.574 298 HA CYS 41 HA CYS 41 23.554 -4.351 -1.517 299 HB2 CYS 41 HB2 CYS 41 21.478 -6.279 -0.667 300 HB3 CYS 41 HB1 CYS 41 20.882 -4.817 -1.453 301 H GLN 42 HN GLN 42 21.301 -4.560 1.252 302 HA GLN 42 HA GLN 42 20.199 -2.062 1.145 303 HB2 GLN 42 HB2 GLN 42 19.761 -2.281 3.534 304 HB3 GLN 42 HB1 GLN 42 19.540 -3.844 2.749 305 HG2 GLN 42 HG2 GLN 42 20.936 -4.646 4.338 306 HG3 GLN 42 HG1 GLN 42 22.219 -3.888 3.398 307 HE21 GLN 42 HE21 GLN 42 21.339 -1.114 4.036 308 HE22 GLN 42 HE22 GLN 42 21.747 -0.859 5.663 309 H ASP 43 HN ASP 43 23.415 -2.990 2.176 310 HA ASP 43 HA ASP 43 24.114 -0.651 3.594 311 HB2 ASP 43 HB2 ASP 43 25.351 -2.960 3.293 312 HB3 ASP 43 HB1 ASP 43 26.134 -2.126 1.953 313 H LEU 44 HN LEU 44 24.030 -1.429 0.176 314 HA LEU 44 HA LEU 44 25.430 0.987 -0.611 315 HB2 LEU 44 HB2 LEU 44 23.950 -1.130 -2.183 316 HB3 LEU 44 HB1 LEU 44 24.758 0.253 -2.922 317 HG LEU 44 HG LEU 44 26.342 -1.355 -0.974 318 HD11 LEU 44 HD11 LEU 44 26.965 -2.772 -3.122 319 HD12 LEU 44 HD12 LEU 44 25.318 -2.368 -3.605 320 HD13 LEU 44 HD13 LEU 44 25.607 -3.247 -2.104 321 HD21 LEU 44 HD21 LEU 44 28.150 -0.748 -2.467 322 HD22 LEU 44 HD22 LEU 44 27.166 0.691 -2.203 323 HD23 LEU 44 HD23 LEU 44 27.012 -0.218 -3.706 324 H LEU 45 HN LEU 45 22.087 -0.264 -0.918 325 HA LEU 45 HA LEU 45 20.957 1.962 -2.093 326 HB2 LEU 45 HB2 LEU 45 20.031 -0.409 -0.702 327 HB3 LEU 45 HB1 LEU 45 19.016 0.980 -0.313 328 HG LEU 45 HG LEU 45 18.194 -0.199 -2.298 329 HD11 LEU 45 HD11 LEU 45 17.541 1.751 -3.217 330 HD12 LEU 45 HD12 LEU 45 19.197 2.179 -3.656 331 HD13 LEU 45 HD13 LEU 45 18.599 2.526 -2.036 332 HD21 LEU 45 HD21 LEU 45 20.147 0.553 -4.224 333 HD22 LEU 45 HD22 LEU 45 19.623 -1.066 -3.758 334 HD23 LEU 45 HD23 LEU 45 20.978 -0.312 -2.928 335 H HIS 46 HN HIS 46 21.302 1.213 1.354 336 HA HIS 46 HA HIS 46 20.694 4.066 1.940 337 HB2 HIS 46 HB2 HIS 46 20.507 1.716 3.834 338 HB3 HIS 46 HB1 HIS 46 19.982 3.372 4.139 339 HD1 HIS 46 HD1 HIS 46 19.125 0.348 2.037 340 HD2 HIS 46 HD2 HIS 46 17.464 4.030 3.072 341 HE1 HIS 46 HE1 HIS 46 16.742 0.324 1.181 Start of MODEL 20 1 HA ALA 1 HA ALA 1 11.297 -19.264 7.644 2 HB1 ALA 1 HB1 ALA 1 8.908 -21.025 7.028 3 HB2 ALA 1 HB2 ALA 1 10.169 -21.328 8.223 4 HB3 ALA 1 HB3 ALA 1 10.553 -21.381 6.503 5 H ASP 2 HN ASP 2 8.235 -18.383 6.200 6 HA ASP 2 HA ASP 2 9.536 -18.016 3.577 7 HB2 ASP 2 HB2 ASP 2 6.612 -18.102 4.350 8 HB3 ASP 2 HB1 ASP 2 7.209 -17.795 2.720 9 H ASN 3 HN ASN 3 10.459 -16.161 5.175 10 HA ASN 3 HA ASN 3 8.856 -13.741 4.596 11 HB2 ASN 3 HB2 ASN 3 10.244 -14.620 7.065 12 HB3 ASN 3 HB1 ASN 3 10.400 -12.916 6.640 13 HD21 ASN 3 HD21 ASN 3 8.268 -11.736 6.227 14 HD22 ASN 3 HD22 ASN 3 6.900 -12.238 7.098 15 H LYS 4 HN LYS 4 9.954 -13.506 2.593 16 HA LYS 4 HA LYS 4 12.709 -12.477 2.888 17 HB2 LYS 4 HB2 LYS 4 13.022 -13.374 0.486 18 HB3 LYS 4 HB1 LYS 4 13.064 -14.539 1.808 19 HG2 LYS 4 HG2 LYS 4 10.904 -15.341 1.343 20 HG3 LYS 4 HG1 LYS 4 10.472 -13.912 0.406 21 HD2 LYS 4 HD2 LYS 4 11.776 -14.582 -1.444 22 HD3 LYS 4 HD1 LYS 4 12.708 -15.731 -0.481 23 HE2 LYS 4 HE2 LYS 4 9.760 -15.984 -1.149 24 HE3 LYS 4 HE1 LYS 4 11.064 -16.901 -1.905 25 HZ1 LYS 4 HZ1 LYS 4 10.171 -18.250 -0.206 26 HZ2 LYS 4 HZ2 LYS 4 10.196 -16.984 0.928 27 HZ3 LYS 4 HZ3 LYS 4 11.652 -17.673 0.385 28 H CYS 5 HN CYS 5 11.587 -12.562 -0.284 29 HA CYS 5 HA CYS 5 11.430 -9.705 -0.446 30 HB2 CYS 5 HB2 CYS 5 11.198 -11.990 -2.344 31 HB3 CYS 5 HB1 CYS 5 10.511 -10.442 -2.835 32 H GLU 6 HN GLU 6 9.317 -11.752 0.870 33 HA GLU 6 HA GLU 6 6.936 -10.321 -0.148 34 HB2 GLU 6 HB2 GLU 6 5.638 -12.268 0.683 35 HB3 GLU 6 HB1 GLU 6 6.803 -12.719 -0.563 36 HG2 GLU 6 HG2 GLU 6 7.680 -14.216 0.866 37 HG3 GLU 6 HG1 GLU 6 8.185 -12.878 1.898 38 H ASN 7 HN ASN 7 9.060 -10.132 2.271 39 HA ASN 7 HA ASN 7 7.269 -10.032 4.541 40 HB2 ASN 7 HB2 ASN 7 9.642 -10.673 4.797 41 HB3 ASN 7 HB1 ASN 7 10.125 -9.065 4.260 42 HD21 ASN 7 HD21 ASN 7 9.423 -10.894 7.028 43 HD22 ASN 7 HD22 ASN 7 9.174 -9.610 8.111 44 H SER 8 HN SER 8 9.437 -7.539 3.196 45 HA SER 8 HA SER 8 7.246 -5.581 3.444 46 HB2 SER 8 HB2 SER 8 9.314 -5.691 5.248 47 HB3 SER 8 HB1 SER 8 9.910 -4.520 4.075 48 HG SER 8 HG SER 8 7.572 -4.464 5.651 49 H LEU 9 HN LEU 9 7.268 -3.921 1.939 50 HA LEU 9 HA LEU 9 8.327 -4.447 -0.589 51 HB2 LEU 9 HB2 LEU 9 7.489 -1.792 0.604 52 HB3 LEU 9 HB1 LEU 9 7.732 -2.102 -1.115 53 HG LEU 9 HG LEU 9 5.928 -3.961 0.356 54 HD11 LEU 9 HD11 LEU 9 5.003 -1.991 1.260 55 HD12 LEU 9 HD12 LEU 9 4.046 -2.259 -0.198 56 HD13 LEU 9 HD13 LEU 9 5.337 -1.057 -0.199 57 HD21 LEU 9 HD21 LEU 9 4.956 -4.232 -1.746 58 HD22 LEU 9 HD22 LEU 9 6.622 -3.861 -2.189 59 HD23 LEU 9 HD23 LEU 9 5.387 -2.605 -2.269 60 H ARG 10 HN ARG 10 9.682 -2.727 2.143 61 HA ARG 10 HA ARG 10 11.757 -1.353 0.823 62 HB2 ARG 10 HB2 ARG 10 11.563 -2.439 3.639 63 HB3 ARG 10 HB1 ARG 10 12.876 -1.403 3.076 64 HG2 ARG 10 HG2 ARG 10 11.334 0.389 2.569 65 HG3 ARG 10 HG1 ARG 10 9.946 -0.652 2.893 66 HD2 ARG 10 HD2 ARG 10 10.363 0.799 4.821 67 HD3 ARG 10 HD1 ARG 10 10.688 -0.879 5.247 68 HE ARG 10 HE ARG 10 12.987 0.679 4.350 69 HH11 ARG 10 HH21 ARG 10 11.071 -0.545 6.965 70 HH12 ARG 10 HH22 ARG 10 12.336 -0.399 8.138 71 HH21 ARG 10 HH11 ARG 10 14.644 0.876 5.889 72 HH22 ARG 10 HH12 ARG 10 14.354 0.405 7.530 73 H ARG 11 HN ARG 11 11.673 -4.576 2.320 74 HA ARG 11 HA ARG 11 14.364 -5.257 1.865 75 HB2 ARG 11 HB2 ARG 11 12.036 -7.185 1.870 76 HB3 ARG 11 HB1 ARG 11 13.710 -7.519 2.310 77 HG2 ARG 11 HG2 ARG 11 12.894 -5.338 3.921 78 HG3 ARG 11 HG1 ARG 11 11.578 -6.514 3.971 79 HD2 ARG 11 HD2 ARG 11 14.493 -7.005 4.625 80 HD3 ARG 11 HD1 ARG 11 13.128 -7.067 5.736 81 HE ARG 11 HE ARG 11 12.654 -8.908 3.664 82 HH11 ARG 11 HH21 ARG 11 14.819 -8.329 6.300 83 HH12 ARG 11 HH22 ARG 11 15.143 -10.007 6.584 84 HH21 ARG 11 HH11 ARG 11 13.072 -11.109 4.029 85 HH22 ARG 11 HH12 ARG 11 14.152 -11.581 5.298 86 H GLU 12 HN GLU 12 11.462 -5.757 -0.111 87 HA GLU 12 HA GLU 12 12.744 -7.218 -2.180 88 HB2 GLU 12 HB2 GLU 12 10.310 -7.228 -1.917 89 HB3 GLU 12 HB1 GLU 12 10.248 -5.498 -2.251 90 HG2 GLU 12 HG2 GLU 12 11.687 -7.021 -4.308 91 HG3 GLU 12 HG1 GLU 12 9.996 -7.492 -4.147 92 H ILE 13 HN ILE 13 11.987 -3.758 -1.816 93 HA ILE 13 HA ILE 13 12.964 -2.945 -4.330 94 HB ILE 13 HB ILE 13 12.729 -1.457 -1.707 95 HG12 ILE 13 HG12 ILE 13 11.059 -1.107 -4.191 96 HG13 ILE 13 HG11 ILE 13 10.684 -2.388 -3.038 97 HG21 ILE 13 HG21 ILE 13 12.853 0.580 -3.211 98 HG22 ILE 13 HG22 ILE 13 13.431 -0.489 -4.489 99 HG23 ILE 13 HG23 ILE 13 14.376 -0.287 -3.017 100 HD11 ILE 13 HD11 ILE 13 9.683 0.112 -2.823 101 HD12 ILE 13 HD12 ILE 13 11.165 0.311 -1.890 102 HD13 ILE 13 HD13 ILE 13 9.987 -0.917 -1.424 103 H ALA 14 HN ALA 14 14.517 -3.336 -1.195 104 HA ALA 14 HA ALA 14 16.985 -2.209 -1.712 105 HB1 ALA 14 HB1 ALA 14 17.850 -3.713 0.006 106 HB2 ALA 14 HB2 ALA 14 16.371 -4.654 -0.109 107 HB3 ALA 14 HB3 ALA 14 16.308 -3.001 0.481 108 H CYS 15 HN CYS 15 16.350 -5.675 -1.787 109 HA CYS 15 HA CYS 15 18.665 -6.401 -3.169 110 HB2 CYS 15 HB2 CYS 15 16.830 -7.849 -1.946 111 HB3 CYS 15 HB1 CYS 15 16.155 -7.973 -3.564 112 H GLY 16 HN GLY 16 15.500 -5.404 -4.307 113 HA2 GLY 16 HA2 GLY 16 15.627 -6.132 -6.972 114 HA3 GLY 16 HA1 GLY 16 14.791 -4.699 -6.376 115 H GLN 17 HN GLN 17 16.019 -2.718 -6.155 116 HA GLN 17 HA GLN 17 17.377 -1.854 -8.330 117 HB2 GLN 17 HB2 GLN 17 17.738 -1.034 -5.456 118 HB3 GLN 17 HB1 GLN 17 18.497 -0.178 -6.800 119 HG2 GLN 17 HG2 GLN 17 15.596 -0.752 -7.076 120 HG3 GLN 17 HG1 GLN 17 16.039 0.449 -5.864 121 HE21 GLN 17 HE21 GLN 17 16.412 -0.324 -9.352 122 HE22 GLN 17 HE22 GLN 17 16.678 1.282 -9.832 123 H CYS 18 HN CYS 18 18.867 -3.277 -5.429 124 HA CYS 18 HA CYS 18 21.529 -3.049 -6.044 125 HB2 CYS 18 HB2 CYS 18 20.037 -5.291 -4.694 126 HB3 CYS 18 HB1 CYS 18 21.794 -5.273 -4.825 127 H ARG 19 HN ARG 19 20.174 -6.289 -6.408 128 HA ARG 19 HA ARG 19 22.022 -7.076 -8.367 129 HB2 ARG 19 HB2 ARG 19 19.289 -8.258 -7.859 130 HB3 ARG 19 HB1 ARG 19 20.668 -9.070 -8.605 131 HG2 ARG 19 HG2 ARG 19 20.588 -7.991 -5.769 132 HG3 ARG 19 HG1 ARG 19 20.435 -9.688 -6.216 133 HD2 ARG 19 HD2 ARG 19 22.697 -9.599 -5.761 134 HD3 ARG 19 HD1 ARG 19 22.715 -9.226 -7.479 135 HE ARG 19 HE ARG 19 22.559 -6.767 -6.439 136 HH11 ARG 19 HH21 ARG 19 24.469 -9.521 -5.555 137 HH12 ARG 19 HH22 ARG 19 25.781 -8.581 -4.931 138 HH21 ARG 19 HH11 ARG 19 24.280 -5.534 -5.624 139 HH22 ARG 19 HH12 ARG 19 25.676 -6.326 -4.972 140 H ASP 20 HN ASP 20 19.622 -4.859 -8.733 141 HA ASP 20 HA ASP 20 18.952 -5.648 -11.482 142 HB2 ASP 20 HB2 ASP 20 17.088 -4.939 -10.105 143 HB3 ASP 20 HB1 ASP 20 17.921 -3.447 -9.716 144 H LYS 21 HN LYS 21 21.186 -3.732 -9.791 145 HA LYS 21 HA LYS 21 21.637 -1.989 -12.126 146 HB2 LYS 21 HB2 LYS 21 22.352 -1.725 -9.211 147 HB3 LYS 21 HB1 LYS 21 23.125 -0.735 -10.449 148 HG2 LYS 21 HG2 LYS 21 20.746 -0.125 -11.206 149 HG3 LYS 21 HG1 LYS 21 20.202 -0.824 -9.689 150 HD2 LYS 21 HD2 LYS 21 21.565 0.726 -8.418 151 HD3 LYS 21 HD1 LYS 21 22.278 1.369 -9.896 152 HE2 LYS 21 HE2 LYS 21 19.432 1.498 -10.159 153 HE3 LYS 21 HE1 LYS 21 19.870 2.200 -8.602 154 HZ1 LYS 21 HZ1 LYS 21 19.926 3.606 -10.801 155 HZ2 LYS 21 HZ2 LYS 21 21.475 2.924 -10.939 156 HZ3 LYS 21 HZ3 LYS 21 21.069 3.849 -9.573 157 H VAL 22 HN VAL 22 23.102 -4.347 -9.987 158 HA VAL 22 HA VAL 22 25.601 -4.208 -11.532 159 HB VAL 22 HB VAL 22 26.003 -6.050 -9.569 160 HG11 VAL 22 HG11 VAL 22 27.570 -4.298 -10.023 161 HG12 VAL 22 HG12 VAL 22 27.078 -4.093 -8.341 162 HG13 VAL 22 HG13 VAL 22 26.395 -3.055 -9.593 163 HG21 VAL 22 HG21 VAL 22 25.006 -5.289 -7.541 164 HG22 VAL 22 HG22 VAL 22 23.706 -5.485 -8.709 165 HG23 VAL 22 HG23 VAL 22 24.321 -3.874 -8.337 166 H LYS 23 HN LYS 23 23.830 -6.874 -9.951 167 HA LYS 23 HA LYS 23 24.632 -8.689 -12.047 168 HB2 LYS 23 HB2 LYS 23 22.690 -9.230 -9.805 169 HB3 LYS 23 HB1 LYS 23 23.622 -10.408 -10.729 170 HG2 LYS 23 HG2 LYS 23 24.785 -8.285 -8.902 171 HG3 LYS 23 HG1 LYS 23 24.662 -10.004 -8.528 172 HD2 LYS 23 HD2 LYS 23 25.950 -10.227 -10.857 173 HD3 LYS 23 HD1 LYS 23 26.492 -8.603 -10.430 174 HE2 LYS 23 HE2 LYS 23 27.074 -9.589 -8.126 175 HE3 LYS 23 HE1 LYS 23 26.885 -11.169 -8.887 176 HZ1 LYS 23 HZ1 LYS 23 29.102 -10.750 -9.213 177 HZ2 LYS 23 HZ2 LYS 23 28.881 -9.077 -9.417 178 HZ3 LYS 23 HZ3 LYS 23 28.452 -10.152 -10.661 179 H THR 24 HN THR 24 22.087 -10.233 -11.768 180 HA THR 24 HA THR 24 20.485 -8.673 -13.709 181 HB THR 24 HB THR 24 21.444 -10.739 -14.637 182 HG1 THR 24 HG1 THR 24 19.188 -11.780 -14.882 183 HG21 THR 24 HG21 THR 24 19.792 -12.601 -13.141 184 HG22 THR 24 HG22 THR 24 20.917 -11.753 -12.080 185 HG23 THR 24 HG23 THR 24 21.524 -12.660 -13.466 186 H ASP 25 HN ASP 25 18.116 -9.438 -13.725 187 HA ASP 25 HA ASP 25 17.026 -8.918 -11.127 188 HB2 ASP 25 HB2 ASP 25 16.013 -8.179 -13.318 189 HB3 ASP 25 HB1 ASP 25 15.540 -9.856 -13.586 190 H GLY 26 HN GLY 26 18.452 -11.597 -12.144 191 HA2 GLY 26 HA2 GLY 26 16.446 -13.488 -11.110 192 HA3 GLY 26 HA1 GLY 26 17.894 -13.917 -12.014 193 H TYR 27 HN TYR 27 19.275 -11.804 -10.190 194 HA TYR 27 HA TYR 27 20.034 -13.751 -8.146 195 HB2 TYR 27 HB2 TYR 27 21.343 -11.600 -9.541 196 HB3 TYR 27 HB1 TYR 27 21.484 -11.354 -7.801 197 HD1 TYR 27 HD2 TYR 27 22.583 -13.035 -6.371 198 HD2 TYR 27 HD1 TYR 27 22.337 -13.528 -10.631 199 HE1 TYR 27 HE2 TYR 27 24.309 -14.815 -6.265 200 HE2 TYR 27 HE1 TYR 27 24.062 -15.308 -10.525 201 HH TYR 27 HH TYR 27 26.102 -15.749 -8.150 202 H PHE 28 HN PHE 28 18.016 -11.024 -8.492 203 HA PHE 28 HA PHE 28 18.117 -9.758 -6.031 204 HB2 PHE 28 HB2 PHE 28 16.062 -8.837 -6.564 205 HB3 PHE 28 HB1 PHE 28 16.620 -9.348 -8.157 206 HD1 PHE 28 HD2 PHE 28 16.100 -11.972 -8.641 207 HD2 PHE 28 HD1 PHE 28 13.867 -9.410 -6.010 208 HE1 PHE 28 HE2 PHE 28 14.130 -13.462 -8.860 209 HE2 PHE 28 HE1 PHE 28 11.898 -10.901 -6.232 210 HZ PHE 28 HZ PHE 28 12.030 -12.926 -7.656 211 H TYR 29 HN TYR 29 16.520 -12.789 -6.913 212 HA TYR 29 HA TYR 29 15.214 -13.121 -4.385 213 HB2 TYR 29 HB2 TYR 29 14.110 -14.436 -5.866 214 HB3 TYR 29 HB1 TYR 29 15.535 -14.671 -6.876 215 HD1 TYR 29 HD2 TYR 29 17.271 -16.353 -6.221 216 HD2 TYR 29 HD1 TYR 29 13.538 -15.983 -4.129 217 HE1 TYR 29 HE2 TYR 29 17.625 -18.583 -5.197 218 HE2 TYR 29 HE1 TYR 29 13.890 -18.214 -3.106 219 HH TYR 29 HH TYR 29 16.663 -20.233 -4.014 220 H GLU 30 HN GLU 30 18.297 -14.103 -5.755 221 HA GLU 30 HA GLU 30 19.057 -16.041 -3.883 222 HB2 GLU 30 HB2 GLU 30 20.350 -14.442 -5.933 223 HB3 GLU 30 HB1 GLU 30 21.401 -14.676 -4.537 224 HG2 GLU 30 HG2 GLU 30 21.182 -17.066 -4.673 225 HG3 GLU 30 HG1 GLU 30 19.900 -16.939 -5.877 226 H CYS 31 HN CYS 31 19.569 -12.503 -3.821 227 HA CYS 31 HA CYS 31 20.883 -12.588 -1.278 228 HB2 CYS 31 HB2 CYS 31 21.391 -10.482 -1.827 229 HB3 CYS 31 HB1 CYS 31 20.515 -10.726 -3.328 230 H CYS 32 HN CYS 32 17.602 -11.769 -2.392 231 HA CYS 32 HA CYS 32 16.443 -10.848 -0.090 232 HB2 CYS 32 HB2 CYS 32 15.488 -11.672 -2.514 233 HB3 CYS 32 HB1 CYS 32 14.820 -12.900 -1.441 234 H THR 33 HN THR 33 17.299 -14.169 -0.891 235 HA THR 33 HA THR 33 16.073 -15.249 1.503 236 HB THR 33 HB THR 33 17.010 -17.382 0.756 237 HG1 THR 33 HG1 THR 33 18.981 -16.476 -0.032 238 HG21 THR 33 HG21 THR 33 15.571 -15.612 -1.187 239 HG22 THR 33 HG22 THR 33 15.014 -17.077 -0.378 240 HG23 THR 33 HG23 THR 33 16.127 -17.192 -1.741 241 H SER 34 HN SER 34 19.395 -14.790 0.288 242 HA SER 34 HA SER 34 20.620 -15.650 2.731 243 HB2 SER 34 HB2 SER 34 21.477 -14.941 0.114 244 HB3 SER 34 HB1 SER 34 22.351 -13.918 1.252 245 HG SER 34 HG SER 34 23.520 -15.642 1.543 246 H ASP 35 HN ASP 35 21.553 -14.417 4.370 247 HA ASP 35 HA ASP 35 20.318 -11.815 4.786 248 HB2 ASP 35 HB2 ASP 35 21.892 -12.117 6.943 249 HB3 ASP 35 HB1 ASP 35 20.302 -12.866 6.810 250 H SER 36 HN SER 36 23.665 -13.058 4.970 251 HA SER 36 HA SER 36 25.063 -10.726 5.200 252 HB2 SER 36 HB2 SER 36 26.234 -12.821 5.177 253 HB3 SER 36 HB1 SER 36 25.719 -13.156 3.526 254 HG SER 36 HG SER 36 27.166 -10.820 4.163 255 H THR 37 HN THR 37 24.482 -12.252 2.020 256 HA THR 37 HA THR 37 25.297 -10.198 0.392 257 HB THR 37 HB THR 37 22.812 -11.785 -0.223 258 HG1 THR 37 HG1 THR 37 24.018 -13.442 0.253 259 HG21 THR 37 HG21 THR 37 23.868 -9.974 -1.755 260 HG22 THR 37 HG22 THR 37 23.482 -11.542 -2.465 261 HG23 THR 37 HG23 THR 37 25.145 -11.161 -2.021 262 H PHE 38 HN PHE 38 22.037 -10.658 1.751 263 HA PHE 38 HA PHE 38 20.882 -8.347 0.617 264 HB2 PHE 38 HB2 PHE 38 19.337 -9.883 1.464 265 HB3 PHE 38 HB1 PHE 38 20.211 -10.074 2.983 266 HD1 PHE 38 HD1 PHE 38 18.351 -7.530 0.961 267 HD2 PHE 38 HD2 PHE 38 19.590 -8.818 4.867 268 HE1 PHE 38 HE1 PHE 38 16.959 -5.754 1.988 269 HE2 PHE 38 HE2 PHE 38 18.197 -7.042 5.895 270 HZ PHE 38 HZ PHE 38 16.881 -5.510 4.455 271 H LYS 39 HN LYS 39 22.775 -8.867 3.528 272 HA LYS 39 HA LYS 39 22.240 -6.408 4.813 273 HB2 LYS 39 HB2 LYS 39 23.904 -8.671 5.243 274 HB3 LYS 39 HB1 LYS 39 24.929 -7.238 5.328 275 HG2 LYS 39 HG2 LYS 39 22.321 -7.592 6.836 276 HG3 LYS 39 HG1 LYS 39 23.926 -7.809 7.534 277 HD2 LYS 39 HD2 LYS 39 23.997 -5.301 6.247 278 HD3 LYS 39 HD1 LYS 39 22.454 -5.357 7.098 279 HE2 LYS 39 HE2 LYS 39 24.231 -4.472 8.564 280 HE3 LYS 39 HE1 LYS 39 23.615 -6.007 9.176 281 HZ1 LYS 39 HZ1 LYS 39 25.482 -7.147 8.355 282 HZ2 LYS 39 HZ2 LYS 39 26.102 -5.758 9.114 283 HZ3 LYS 39 HZ3 LYS 39 25.993 -5.827 7.419 284 H LYS 40 HN LYS 40 24.499 -7.331 2.284 285 HA LYS 40 HA LYS 40 25.952 -4.841 2.355 286 HB2 LYS 40 HB2 LYS 40 26.718 -7.192 1.488 287 HB3 LYS 40 HB1 LYS 40 25.937 -6.686 -0.011 288 HG2 LYS 40 HG2 LYS 40 27.312 -4.465 0.385 289 HG3 LYS 40 HG1 LYS 40 28.332 -5.519 1.365 290 HD2 LYS 40 HD2 LYS 40 28.535 -7.073 -0.573 291 HD3 LYS 40 HD1 LYS 40 27.602 -5.937 -1.549 292 HE2 LYS 40 HE2 LYS 40 29.832 -5.370 -2.050 293 HE3 LYS 40 HE1 LYS 40 29.380 -4.189 -0.821 294 HZ1 LYS 40 HZ1 LYS 40 30.277 -6.364 0.582 295 HZ2 LYS 40 HZ2 LYS 40 31.120 -4.912 0.323 296 HZ3 LYS 40 HZ3 LYS 40 31.360 -6.234 -0.716 297 H CYS 41 HN CYS 41 23.215 -6.154 0.597 298 HA CYS 41 HA CYS 41 23.127 -4.169 -1.442 299 HB2 CYS 41 HB2 CYS 41 21.927 -6.144 -1.898 300 HB3 CYS 41 HB1 CYS 41 21.112 -6.114 -0.335 301 H GLN 42 HN GLN 42 20.900 -4.614 1.312 302 HA GLN 42 HA GLN 42 19.524 -2.270 1.215 303 HB2 GLN 42 HB2 GLN 42 19.221 -2.471 3.653 304 HB3 GLN 42 HB1 GLN 42 19.062 -4.036 2.857 305 HG2 GLN 42 HG2 GLN 42 20.592 -4.780 4.344 306 HG3 GLN 42 HG1 GLN 42 21.777 -3.885 3.394 307 HE21 GLN 42 HE21 GLN 42 22.857 -2.202 4.464 308 HE22 GLN 42 HE22 GLN 42 22.377 -1.553 5.957 309 H ASP 43 HN ASP 43 22.810 -2.771 2.357 310 HA ASP 43 HA ASP 43 23.150 -0.212 3.555 311 HB2 ASP 43 HB2 ASP 43 24.709 -2.554 3.171 312 HB3 ASP 43 HB1 ASP 43 25.625 -1.201 2.512 313 H LEU 44 HN LEU 44 23.517 -1.461 0.300 314 HA LEU 44 HA LEU 44 24.845 0.856 -0.739 315 HB2 LEU 44 HB2 LEU 44 23.820 -1.687 -1.779 316 HB3 LEU 44 HB1 LEU 44 23.633 -0.341 -2.903 317 HG LEU 44 HG LEU 44 26.232 -0.905 -1.464 318 HD11 LEU 44 HD11 LEU 44 25.548 -2.860 -2.859 319 HD12 LEU 44 HD12 LEU 44 26.993 -2.057 -3.472 320 HD13 LEU 44 HD13 LEU 44 25.436 -1.787 -4.254 321 HD21 LEU 44 HD21 LEU 44 27.001 0.901 -2.582 322 HD22 LEU 44 HD22 LEU 44 25.326 1.259 -2.996 323 HD23 LEU 44 HD23 LEU 44 26.329 0.323 -4.105 324 H LEU 45 HN LEU 45 21.492 -0.361 -0.920 325 HA LEU 45 HA LEU 45 20.490 1.857 -2.343 326 HB2 LEU 45 HB2 LEU 45 19.415 -0.498 -0.995 327 HB3 LEU 45 HB1 LEU 45 18.362 0.903 -0.830 328 HG LEU 45 HG LEU 45 17.791 -0.378 -2.839 329 HD11 LEU 45 HD11 LEU 45 17.299 1.508 -3.956 330 HD12 LEU 45 HD12 LEU 45 19.000 1.901 -4.205 331 HD13 LEU 45 HD13 LEU 45 18.205 2.354 -2.699 332 HD21 LEU 45 HD21 LEU 45 19.915 0.135 -4.602 333 HD22 LEU 45 HD22 LEU 45 19.454 -1.425 -3.920 334 HD23 LEU 45 HD23 LEU 45 20.679 -0.450 -3.124 335 H HIS 46 HN HIS 46 20.351 1.070 1.135 336 HA HIS 46 HA HIS 46 20.103 3.975 1.663 337 HB2 HIS 46 HB2 HIS 46 18.340 1.750 2.544 338 HB3 HIS 46 HB1 HIS 46 18.724 2.987 3.741 339 HD1 HIS 46 HD1 HIS 46 16.913 4.692 3.758 340 HD2 HIS 46 HD2 HIS 46 17.721 3.373 -0.114 341 HE1 HIS 46 HE1 HIS 46 15.406 6.023 2.218
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