NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559953 | 2lr7 | 18350 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 -5.679 -1.703 5.746 2 H2 ARG 1 H2 ARG 1 -6.372 -0.164 5.818 3 H3 ARG 1 H3 ARG 1 -6.071 -0.887 4.317 4 HA ARG 1 HA ARG 1 -7.689 -2.617 4.801 5 HB2 ARG 1 HB3 ARG 1 -8.347 -0.952 7.237 6 HB3 ARG 1 HB2 ARG 1 -9.107 -2.458 6.749 7 HG2 ARG 1 HG3 ARG 1 -7.111 -3.689 7.240 8 HG3 ARG 1 HG2 ARG 1 -6.224 -2.196 7.563 9 HD2 ARG 1 HD3 ARG 1 -8.579 -3.249 9.124 10 HD3 ARG 1 HD2 ARG 1 -6.895 -3.260 9.645 11 HE ARG 1 HE ARG 1 -7.935 -0.646 8.997 12 HH11 ARG 1 HH12 ARG 1 -7.501 -3.038 11.505 13 HH12 ARG 1 HH11 ARG 1 -7.583 -1.887 12.797 14 HH21 ARG 1 HH21 ARG 1 -8.060 0.879 10.690 15 HH22 ARG 1 HH22 ARG 1 -7.898 0.346 12.333 16 H LYS 2 H LYS 2 -9.192 -2.198 3.354 17 HA LYS 2 HA LYS 2 -11.191 -0.279 3.511 18 HB2 LYS 2 HB3 LYS 2 -8.726 0.775 2.418 19 HB3 LYS 2 HB2 LYS 2 -9.985 0.783 1.199 20 HG2 LYS 2 HG3 LYS 2 -11.425 1.917 3.027 21 HG3 LYS 2 HG2 LYS 2 -9.873 2.237 3.810 22 HD2 LYS 2 HD3 LYS 2 -10.416 4.144 2.480 23 HD3 LYS 2 HD2 LYS 2 -9.108 3.284 1.667 24 HE2 LYS 2 HE3 LYS 2 -10.814 2.193 0.216 25 HE3 LYS 2 HE2 LYS 2 -12.041 3.207 0.970 26 HZ1 LYS 2 HZ1 LYS 2 -9.708 4.158 -0.598 27 HZ2 LYS 2 HZ2 LYS 2 -10.842 5.157 0.166 28 HZ3 LYS 2 HZ3 LYS 2 -11.320 4.152 -1.107 29 H CYS 3 H CYS 3 -9.033 -2.001 1.344 30 HA CYS 3 HA CYS 3 -11.313 -2.850 -0.279 31 HB2 CYS 3 HB3 CYS 3 -9.534 -2.376 -2.229 32 HB3 CYS 3 HB2 CYS 3 -10.671 -1.149 -1.669 33 H ASN 4 H ASN 4 -7.816 -3.107 -0.807 34 HA ASN 4 HA ASN 4 -7.548 -5.780 0.075 35 HB2 ASN 4 HB3 ASN 4 -7.365 -6.918 -2.086 36 HB3 ASN 4 HB2 ASN 4 -8.976 -6.244 -1.886 37 HD21 ASN 4 HD22 ASN 4 -7.545 -6.990 -4.309 38 HD22 ASN 4 HD21 ASN 4 -7.493 -5.566 -5.291 39 H PHE 5 H PHE 5 -5.539 -6.720 -1.462 40 HA PHE 5 HA PHE 5 -3.306 -5.186 -0.769 41 HB2 PHE 5 HB3 PHE 5 -2.121 -6.722 -2.464 42 HB3 PHE 5 HB2 PHE 5 -2.894 -7.472 -1.075 43 HD1 PHE 5 HD2 PHE 5 -3.460 -6.670 -4.668 44 HD2 PHE 5 HD1 PHE 5 -4.434 -9.177 -1.371 45 HE1 PHE 5 HE2 PHE 5 -4.737 -8.139 -6.169 46 HE2 PHE 5 HE1 PHE 5 -5.716 -10.649 -2.867 47 HZ PHE 5 HZ PHE 5 -5.867 -10.132 -5.269 48 H LEU 6 H LEU 6 -1.739 -4.130 -2.160 49 HA LEU 6 HA LEU 6 -1.241 -2.402 -3.538 50 HB2 LEU 6 HB3 LEU 6 -2.833 -4.154 -5.415 51 HB3 LEU 6 HB2 LEU 6 -1.945 -2.742 -5.943 52 HG LEU 6 HG LEU 6 -0.664 -4.719 -6.447 53 HD11 LEU 6 HD11 LEU 6 0.619 -3.422 -4.058 54 HD12 LEU 6 HD12 LEU 6 0.516 -2.677 -5.656 55 HD13 LEU 6 HD13 LEU 6 1.409 -4.180 -5.441 56 HD21 LEU 6 HD21 LEU 6 -1.607 -6.245 -4.792 57 HD22 LEU 6 HD22 LEU 6 -0.772 -5.371 -3.506 58 HD23 LEU 6 HD23 LEU 6 0.153 -6.240 -4.733 59 H CYS 7 H CYS 7 -3.028 -1.498 -1.895 60 HA CYS 7 HA CYS 7 -4.679 0.326 -3.289 61 HB2 CYS 7 HB3 CYS 7 -6.008 -1.740 -3.667 62 HB3 CYS 7 HB2 CYS 7 -6.140 -1.952 -1.927 63 H LYS 8 H LYS 8 -4.612 -1.535 -0.240 64 HA LYS 8 HA LYS 8 -3.603 0.658 1.243 65 HB2 LYS 8 HB3 LYS 8 -6.086 1.251 1.030 66 HB3 LYS 8 HB2 LYS 8 -6.407 -0.153 2.039 67 HG2 LYS 8 HG3 LYS 8 -4.994 0.825 3.809 68 HG3 LYS 8 HG2 LYS 8 -4.755 2.252 2.801 69 HD2 LYS 8 HD3 LYS 8 -7.178 2.662 2.837 70 HD3 LYS 8 HD2 LYS 8 -7.390 1.249 3.873 71 HE2 LYS 8 HE3 LYS 8 -5.908 2.318 5.549 72 HE3 LYS 8 HE2 LYS 8 -5.852 3.753 4.531 73 HZ1 LYS 8 HZ1 LYS 8 -8.195 4.057 4.809 74 HZ2 LYS 8 HZ2 LYS 8 -7.488 3.907 6.337 75 HZ3 LYS 8 HZ3 LYS 8 -8.340 2.608 5.671 76 H LEU 9 H LEU 9 -2.962 -2.022 0.673 77 HA LEU 9 HA LEU 9 -2.814 -3.131 3.368 78 HB2 LEU 9 HB3 LEU 9 -4.013 -4.542 1.010 79 HB3 LEU 9 HB2 LEU 9 -3.124 -5.467 2.201 80 HG LEU 9 HG LEU 9 -4.738 -4.439 3.927 81 HD11 LEU 9 HD11 LEU 9 -6.314 -3.932 1.410 82 HD12 LEU 9 HD12 LEU 9 -5.694 -2.706 2.517 83 HD13 LEU 9 HD13 LEU 9 -6.936 -3.835 3.056 84 HD21 LEU 9 HD21 LEU 9 -6.387 -6.181 3.501 85 HD22 LEU 9 HD22 LEU 9 -4.747 -6.781 3.256 86 HD23 LEU 9 HD23 LEU 9 -5.758 -6.385 1.866 87 H LYS 10 H LYS 10 -2.003 -5.000 0.535 88 HA LYS 10 HA LYS 10 0.830 -4.673 1.113 89 HB2 LYS 10 HB3 LYS 10 -0.314 -6.914 0.545 90 HB3 LYS 10 HB2 LYS 10 -0.332 -6.337 -1.115 91 HG2 LYS 10 HG3 LYS 10 2.065 -6.208 -1.158 92 HG3 LYS 10 HG2 LYS 10 2.156 -6.601 0.559 93 HD2 LYS 10 HD3 LYS 10 2.657 -8.595 -0.622 94 HD3 LYS 10 HD2 LYS 10 1.020 -8.779 0.007 95 HE2 LYS 10 HE3 LYS 10 0.973 -9.572 -2.222 96 HE3 LYS 10 HE2 LYS 10 0.193 -7.991 -2.242 97 HZ1 LYS 10 HZ1 LYS 10 3.020 -8.503 -2.992 98 HZ2 LYS 10 HZ2 LYS 10 2.214 -7.020 -3.086 99 HZ3 LYS 10 HZ3 LYS 10 1.750 -8.299 -4.085 100 H GLU 11 H GLU 11 1.171 -2.607 0.499 101 HA GLU 11 HA GLU 11 -0.007 -1.348 -1.721 102 HB2 GLU 11 HB3 GLU 11 2.375 -0.343 -0.188 103 HB3 GLU 11 HB2 GLU 11 1.124 0.597 -0.991 104 HG2 GLU 11 HG3 GLU 11 0.708 -1.143 1.422 105 HG3 GLU 11 HG2 GLU 11 0.908 0.604 1.449 106 H LYS 12 H LYS 12 1.840 0.288 -2.766 107 HA LYS 12 HA LYS 12 3.704 -1.413 -4.227 108 HB2 LYS 12 HB3 LYS 12 2.601 0.125 -6.249 109 HB3 LYS 12 HB2 LYS 12 2.287 -1.578 -5.953 110 HG2 LYS 12 HG3 LYS 12 0.161 -0.692 -6.131 111 HG3 LYS 12 HG2 LYS 12 0.411 -0.754 -4.392 112 HD2 LYS 12 HD3 LYS 12 -0.624 1.327 -4.917 113 HD3 LYS 12 HD2 LYS 12 1.047 1.673 -4.480 114 HE2 LYS 12 HE3 LYS 12 0.519 2.978 -6.409 115 HE3 LYS 12 HE2 LYS 12 1.575 1.674 -6.935 116 HZ1 LYS 12 HZ1 LYS 12 -0.225 1.944 -8.478 117 HZ2 LYS 12 HZ2 LYS 12 -1.369 1.768 -7.244 118 HZ3 LYS 12 HZ3 LYS 12 -0.395 0.461 -7.685 119 H LEU 13 H LEU 13 2.545 1.814 -5.033 120 HA LEU 13 HA LEU 13 4.458 3.227 -3.537 121 HB2 LEU 13 HB3 LEU 13 5.902 4.113 -5.230 122 HB3 LEU 13 HB2 LEU 13 6.006 2.374 -5.252 123 HG LEU 13 HG LEU 13 6.152 2.982 -7.480 124 HD11 LEU 13 HD11 LEU 13 3.239 2.395 -7.106 125 HD12 LEU 13 HD12 LEU 13 4.535 1.209 -7.228 126 HD13 LEU 13 HD13 LEU 13 4.143 2.235 -8.609 127 HD21 LEU 13 HD21 LEU 13 4.726 4.602 -8.616 128 HD22 LEU 13 HD22 LEU 13 5.605 5.323 -7.267 129 HD23 LEU 13 HD23 LEU 13 3.894 4.931 -7.095 130 H ARG 14 H ARG 14 3.385 5.028 -3.001 131 HA ARG 14 HA ARG 14 2.056 6.568 -5.014 132 HB2 ARG 14 HB3 ARG 14 0.460 4.652 -4.365 133 HB3 ARG 14 HB2 ARG 14 0.238 5.529 -2.861 134 HG2 ARG 14 HG3 ARG 14 -1.520 5.982 -4.536 135 HG3 ARG 14 HG2 ARG 14 -0.648 7.429 -4.032 136 HD2 ARG 14 HD3 ARG 14 0.200 5.919 -6.473 137 HD3 ARG 14 HD2 ARG 14 -1.146 7.055 -6.548 138 HE ARG 14 HE ARG 14 0.547 8.694 -5.568 139 HH11 ARG 14 HH11 ARG 14 1.423 6.083 -7.738 140 HH12 ARG 14 HH12 ARG 14 2.807 6.916 -8.370 141 HH21 ARG 14 HH22 ARG 14 2.354 9.777 -6.390 142 HH22 ARG 14 HH21 ARG 14 3.341 9.018 -7.598 143 H THR 15 H THR 15 0.912 6.536 -1.660 144 HA THR 15 HA THR 15 2.629 8.744 -0.985 145 HB THR 15 HB THR 15 1.139 10.022 -2.245 146 HG1 THR 15 HG1 THR 15 1.622 10.862 -0.125 147 HG21 THR 15 HG21 THR 15 -1.240 8.973 -0.747 148 HG22 THR 15 HG22 THR 15 -0.704 8.313 -2.292 149 HG23 THR 15 HG23 THR 15 -1.218 9.993 -2.182 150 H VAL 16 H VAL 16 -0.651 7.867 0.233 151 HA VAL 16 HA VAL 16 0.631 7.101 2.749 152 HB VAL 16 HB VAL 16 -1.589 9.139 2.564 153 HG11 VAL 16 HG11 VAL 16 -0.543 7.514 4.839 154 HG12 VAL 16 HG12 VAL 16 -2.210 7.920 4.422 155 HG13 VAL 16 HG13 VAL 16 -1.155 9.144 5.132 156 HG21 VAL 16 HG21 VAL 16 -0.013 10.611 3.731 157 HG22 VAL 16 HG22 VAL 16 0.626 10.083 2.174 158 HG23 VAL 16 HG23 VAL 16 1.213 9.346 3.666 159 H ILE 17 H ILE 17 -2.625 7.471 1.268 160 HA ILE 17 HA ILE 17 -3.706 5.403 2.870 161 HB ILE 17 HB ILE 17 -5.073 7.204 1.855 162 HG12 ILE 17 HG13 ILE 17 -6.052 5.001 2.645 163 HG13 ILE 17 HG12 ILE 17 -7.043 5.940 1.543 164 HG21 ILE 17 HG21 ILE 17 -4.694 5.709 -0.723 165 HG22 ILE 17 HG22 ILE 17 -4.092 7.321 -0.336 166 HG23 ILE 17 HG23 ILE 17 -5.826 7.035 -0.460 167 HD11 ILE 17 HD11 ILE 17 -7.290 3.769 0.794 168 HD12 ILE 17 HD12 ILE 17 -5.590 3.373 1.060 169 HD13 ILE 17 HD13 ILE 17 -6.056 4.420 -0.285 170 H THR 18 H THR 18 -2.599 5.422 -0.529 171 HA THR 18 HA THR 18 -2.798 2.528 -0.628 172 HB THR 18 HB THR 18 -1.714 4.347 -2.773 173 HG1 THR 18 HG1 THR 18 -4.390 3.828 -1.972 174 HG21 THR 18 HG21 THR 18 -1.426 1.949 -3.128 175 HG22 THR 18 HG22 THR 18 -2.604 2.621 -4.248 176 HG23 THR 18 HG23 THR 18 -3.151 1.692 -2.857 177 H SER 19 H SER 19 -0.654 4.737 0.501 178 HA SER 19 HA SER 19 1.545 2.790 0.298 179 HB2 SER 19 HB3 SER 19 2.260 4.873 -0.629 180 HB3 SER 19 HB2 SER 19 1.534 5.787 0.687 181 HG SER 19 HG SER 19 3.119 4.592 2.050 182 H HIS 20 H HIS 20 -0.418 2.118 2.026 183 HA HIS 20 HA HIS 20 0.039 3.419 4.582 184 HB2 HIS 20 HB3 HIS 20 -2.221 2.507 3.406 185 HB3 HIS 20 HB2 HIS 20 -1.832 1.147 4.459 186 HD1 HIS 20 HD1 HIS 20 -2.877 1.345 6.693 187 HD2 HIS 20 HD2 HIS 20 -2.070 5.064 5.027 188 HE1 HIS 20 HE1 HIS 20 -3.718 3.031 8.359 189 HE2 HIS 20 HE2 HIS 20 -3.047 5.264 7.408 190 H ILE 21 H ILE 21 -0.107 -0.023 3.541 191 HA ILE 21 HA ILE 21 1.506 -0.638 5.931 192 HB ILE 21 HB ILE 21 -0.166 -2.517 4.256 193 HG12 ILE 21 HG13 ILE 21 -1.546 -0.919 5.500 194 HG13 ILE 21 HG12 ILE 21 -1.704 -2.537 6.171 195 HG21 ILE 21 HG21 ILE 21 0.199 -4.127 6.063 196 HG22 ILE 21 HG22 ILE 21 1.254 -2.972 6.878 197 HG23 ILE 21 HG23 ILE 21 1.720 -3.640 5.314 198 HD11 ILE 21 HD11 ILE 21 -1.580 -0.908 7.941 199 HD12 ILE 21 HD12 ILE 21 -0.058 -0.288 7.302 200 HD13 ILE 21 HD13 ILE 21 -0.137 -1.921 7.959 201 H ASP 22 H ASP 22 1.091 -2.127 2.738 202 HA ASP 22 HA ASP 22 2.566 -2.754 1.122 203 HB2 ASP 22 HB3 ASP 22 3.875 -0.716 1.456 204 HB3 ASP 22 HB2 ASP 22 4.712 -1.459 2.805 205 H LYS 23 H LYS 23 4.257 -4.340 0.727 206 HA LYS 23 HA LYS 23 4.219 -6.591 2.340 207 HB2 LYS 23 HB3 LYS 23 6.180 -7.329 1.080 208 HB3 LYS 23 HB2 LYS 23 5.010 -6.576 0.010 209 HG2 LYS 23 HG3 LYS 23 6.514 -4.441 0.511 210 HG3 LYS 23 HG2 LYS 23 7.727 -5.689 0.787 211 HD2 LYS 23 HD3 LYS 23 7.924 -5.117 -1.491 212 HD3 LYS 23 HD2 LYS 23 7.033 -6.641 -1.472 213 HE2 LYS 23 HE3 LYS 23 4.926 -5.397 -1.678 214 HE3 LYS 23 HE2 LYS 23 5.831 -3.885 -1.728 215 HZ1 LYS 23 HZ1 LYS 23 6.009 -6.085 -3.716 216 HZ2 LYS 23 HZ2 LYS 23 6.900 -4.646 -3.763 217 HZ3 LYS 23 HZ3 LYS 23 5.219 -4.606 -3.935 218 H VAL 24 H VAL 24 6.386 -3.791 2.357 219 HA VAL 24 HA VAL 24 6.806 -3.237 4.855 220 HB VAL 24 HB VAL 24 7.262 -5.672 5.378 221 HG11 VAL 24 HG11 VAL 24 9.877 -5.081 4.008 222 HG12 VAL 24 HG12 VAL 24 8.673 -6.281 3.536 223 HG13 VAL 24 HG13 VAL 24 9.569 -6.477 5.042 224 HG21 VAL 24 HG21 VAL 24 7.804 -3.935 6.963 225 HG22 VAL 24 HG22 VAL 24 9.346 -3.642 6.160 226 HG23 VAL 24 HG23 VAL 24 9.059 -5.174 6.984 227 H LEU 25 H LEU 25 8.327 -3.852 1.834 228 HA LEU 25 HA LEU 25 10.829 -2.595 2.502 229 HB2 LEU 25 HB3 LEU 25 9.721 -3.653 -0.083 230 HB3 LEU 25 HB2 LEU 25 11.254 -2.811 0.002 231 HG LEU 25 HG LEU 25 11.843 -4.625 1.793 232 HD11 LEU 25 HD11 LEU 25 9.582 -5.573 1.904 233 HD12 LEU 25 HD12 LEU 25 10.789 -6.764 1.421 234 HD13 LEU 25 HD13 LEU 25 9.716 -6.056 0.213 235 HD21 LEU 25 HD21 LEU 25 12.715 -6.067 0.013 236 HD22 LEU 25 HD22 LEU 25 12.985 -4.359 -0.331 237 HD23 LEU 25 HD23 LEU 25 11.694 -5.231 -1.156 238 H ARG 26 H ARG 26 8.005 -1.684 0.498 239 HA ARG 26 HA ARG 26 8.771 1.078 0.660 240 HB2 ARG 26 HB3 ARG 26 8.883 1.259 -1.919 241 HB3 ARG 26 HB2 ARG 26 10.302 0.717 -1.039 242 HG2 ARG 26 HG3 ARG 26 10.348 -0.917 -2.566 243 HG3 ARG 26 HG2 ARG 26 9.091 -1.653 -1.574 244 HD2 ARG 26 HD3 ARG 26 8.376 -1.693 -3.859 245 HD3 ARG 26 HD2 ARG 26 7.396 -0.510 -2.993 246 HE ARG 26 HE ARG 26 9.464 0.943 -4.052 247 HH11 ARG 26 HH11 ARG 26 6.969 -1.152 -5.330 248 HH12 ARG 26 HH12 ARG 26 6.918 -0.363 -6.873 249 HH21 ARG 26 HH22 ARG 26 9.390 1.991 -6.085 250 HH22 ARG 26 HH21 ARG 26 8.293 1.425 -7.302 251 HA PRO 27 HA PRO 27 4.277 0.712 0.034 252 HB2 PRO 27 HB2 PRO 27 4.151 2.996 1.839 253 HB3 PRO 27 HB3 PRO 27 3.462 1.374 2.043 254 HG2 PRO 27 HG3 PRO 27 5.538 2.313 3.533 255 HG3 PRO 27 HG2 PRO 27 5.308 0.597 3.154 256 HD2 PRO 27 HD3 PRO 27 7.160 2.586 1.899 257 HD3 PRO 27 HD2 PRO 27 7.448 0.881 2.309 258 H GLN 28 H GLN 28 6.250 3.661 0.288 259 HA GLN 28 HA GLN 28 4.442 5.043 -1.536 260 HB2 GLN 28 HB3 GLN 28 5.433 6.087 0.596 261 HB3 GLN 28 HB2 GLN 28 6.937 6.200 -0.308 262 HG2 GLN 28 HG3 GLN 28 5.791 7.546 -2.011 263 HG3 GLN 28 HG2 GLN 28 4.314 7.467 -1.056 264 HE21 GLN 28 HE22 GLN 28 4.195 8.592 0.891 265 HE22 GLN 28 HE21 GLN 28 5.286 9.881 1.266 266 H GLY 29 H GLY 29 7.143 3.126 -1.675 267 HA2 GLY 29 HA3 GLY 29 7.764 2.545 -4.003 268 HA3 GLY 29 HA2 GLY 29 7.920 4.274 -4.276 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 -10.645 3.000 3.509 2 H2 ARG 1 H2 ARG 1 -10.566 1.335 3.768 3 H3 ARG 1 H3 ARG 1 -11.574 2.287 4.727 4 HA ARG 1 HA ARG 1 -12.861 1.086 3.111 5 HB2 ARG 1 HB3 ARG 1 -12.646 4.058 2.602 6 HB3 ARG 1 HB2 ARG 1 -13.978 3.050 2.050 7 HG2 ARG 1 HG3 ARG 1 -14.603 2.549 4.320 8 HG3 ARG 1 HG2 ARG 1 -13.195 3.420 4.934 9 HD2 ARG 1 HD3 ARG 1 -15.191 4.785 5.131 10 HD3 ARG 1 HD2 ARG 1 -14.072 5.494 3.971 11 HE ARG 1 HE ARG 1 -16.187 3.803 2.897 12 HH11 ARG 1 HH12 ARG 1 -15.013 7.033 3.553 13 HH12 ARG 1 HH11 ARG 1 -16.083 7.792 2.419 14 HH21 ARG 1 HH21 ARG 1 -17.604 4.797 1.413 15 HH22 ARG 1 HH22 ARG 1 -17.555 6.517 1.196 16 H LYS 2 H LYS 2 -10.245 0.622 2.103 17 HA LYS 2 HA LYS 2 -10.825 0.874 -0.762 18 HB2 LYS 2 HB3 LYS 2 -8.112 1.270 0.512 19 HB3 LYS 2 HB2 LYS 2 -8.381 1.096 -1.215 20 HG2 LYS 2 HG3 LYS 2 -10.063 3.124 -0.687 21 HG3 LYS 2 HG2 LYS 2 -8.835 3.392 0.557 22 HD2 LYS 2 HD3 LYS 2 -7.091 3.438 -1.120 23 HD3 LYS 2 HD2 LYS 2 -8.258 3.051 -2.385 24 HE2 LYS 2 HE3 LYS 2 -7.723 5.431 -2.375 25 HE3 LYS 2 HE2 LYS 2 -9.416 5.153 -1.974 26 HZ1 LYS 2 HZ1 LYS 2 -8.471 6.809 -0.526 27 HZ2 LYS 2 HZ2 LYS 2 -7.241 5.753 -0.048 28 HZ3 LYS 2 HZ3 LYS 2 -8.845 5.426 0.373 29 H CYS 3 H CYS 3 -8.601 -0.539 -1.661 30 HA CYS 3 HA CYS 3 -9.447 -3.220 -1.094 31 HB2 CYS 3 HB3 CYS 3 -7.147 -3.245 -2.724 32 HB3 CYS 3 HB2 CYS 3 -8.824 -3.428 -3.229 33 H ASN 4 H ASN 4 -7.217 -4.747 -1.307 34 HA ASN 4 HA ASN 4 -5.770 -4.131 1.177 35 HB2 ASN 4 HB3 ASN 4 -6.393 -6.746 -0.192 36 HB3 ASN 4 HB2 ASN 4 -5.209 -6.615 1.104 37 HD21 ASN 4 HD22 ASN 4 -7.833 -7.997 0.887 38 HD22 ASN 4 HD21 ASN 4 -8.729 -7.459 2.264 39 H PHE 5 H PHE 5 -4.568 -6.536 -0.999 40 HA PHE 5 HA PHE 5 -2.011 -5.331 -0.877 41 HB2 PHE 5 HB3 PHE 5 -1.340 -7.156 -2.459 42 HB3 PHE 5 HB2 PHE 5 -2.088 -7.697 -0.968 43 HD1 PHE 5 HD2 PHE 5 -2.827 -7.059 -4.554 44 HD2 PHE 5 HD1 PHE 5 -3.927 -9.108 -0.995 45 HE1 PHE 5 HE2 PHE 5 -4.458 -8.382 -5.829 46 HE2 PHE 5 HE1 PHE 5 -5.562 -10.436 -2.263 47 HZ PHE 5 HZ PHE 5 -5.830 -10.074 -4.684 48 H LEU 6 H LEU 6 -0.811 -4.310 -2.360 49 HA LEU 6 HA LEU 6 -0.389 -2.728 -3.925 50 HB2 LEU 6 HB3 LEU 6 -2.323 -4.395 -5.539 51 HB3 LEU 6 HB2 LEU 6 -1.435 -3.040 -6.196 52 HG LEU 6 HG LEU 6 -0.266 -4.928 -6.910 53 HD11 LEU 6 HD11 LEU 6 1.189 -4.028 -4.426 54 HD12 LEU 6 HD12 LEU 6 1.193 -3.206 -5.986 55 HD13 LEU 6 HD13 LEU 6 1.892 -4.814 -5.844 56 HD21 LEU 6 HD21 LEU 6 -1.300 -6.612 -5.558 57 HD22 LEU 6 HD22 LEU 6 -0.485 -6.014 -4.110 58 HD23 LEU 6 HD23 LEU 6 0.449 -6.750 -5.415 59 H CYS 7 H CYS 7 -2.130 -1.900 -1.996 60 HA CYS 7 HA CYS 7 -3.633 0.156 -3.302 61 HB2 CYS 7 HB3 CYS 7 -5.118 -1.811 -3.699 62 HB3 CYS 7 HB2 CYS 7 -5.250 -2.024 -1.959 63 H LYS 8 H LYS 8 -3.331 -1.803 -0.424 64 HA LYS 8 HA LYS 8 -2.817 0.546 1.224 65 HB2 LYS 8 HB3 LYS 8 -5.198 0.282 1.507 66 HB3 LYS 8 HB2 LYS 8 -5.035 -1.452 1.723 67 HG2 LYS 8 HG3 LYS 8 -4.333 -1.256 3.893 68 HG3 LYS 8 HG2 LYS 8 -3.683 0.368 3.650 69 HD2 LYS 8 HD3 LYS 8 -5.816 0.158 5.039 70 HD3 LYS 8 HD2 LYS 8 -5.809 1.358 3.750 71 HE2 LYS 8 HE3 LYS 8 -7.914 0.138 3.792 72 HE3 LYS 8 HE2 LYS 8 -7.034 -0.188 2.302 73 HZ1 LYS 8 HZ1 LYS 8 -7.199 -1.967 4.675 74 HZ2 LYS 8 HZ2 LYS 8 -6.284 -2.285 3.291 75 HZ3 LYS 8 HZ3 LYS 8 -7.968 -2.208 3.189 76 H LEU 9 H LEU 9 -2.997 -2.887 0.748 77 HA LEU 9 HA LEU 9 -0.551 -3.255 2.314 78 HB2 LEU 9 HB3 LEU 9 -2.457 -5.201 1.019 79 HB3 LEU 9 HB2 LEU 9 -0.934 -5.692 1.728 80 HG LEU 9 HG LEU 9 -1.838 -4.641 3.905 81 HD11 LEU 9 HD11 LEU 9 -4.307 -4.739 4.071 82 HD12 LEU 9 HD12 LEU 9 -4.370 -4.941 2.320 83 HD13 LEU 9 HD13 LEU 9 -3.721 -3.456 3.010 84 HD21 LEU 9 HD21 LEU 9 -2.982 -6.723 4.481 85 HD22 LEU 9 HD22 LEU 9 -1.502 -7.029 3.573 86 HD23 LEU 9 HD23 LEU 9 -3.070 -7.150 2.772 87 H LYS 10 H LYS 10 0.261 -5.483 0.659 88 HA LYS 10 HA LYS 10 2.297 -5.510 -0.403 89 HB2 LYS 10 HB3 LYS 10 0.363 -6.260 -1.899 90 HB3 LYS 10 HB2 LYS 10 0.654 -4.772 -2.779 91 HG2 LYS 10 HG3 LYS 10 1.856 -6.483 -3.887 92 HG3 LYS 10 HG2 LYS 10 3.028 -5.474 -3.040 93 HD2 LYS 10 HD3 LYS 10 3.654 -7.752 -2.700 94 HD3 LYS 10 HD2 LYS 10 3.004 -7.141 -1.180 95 HE2 LYS 10 HE3 LYS 10 2.068 -9.284 -1.452 96 HE3 LYS 10 HE2 LYS 10 0.789 -8.147 -1.881 97 HZ1 LYS 10 HZ1 LYS 10 1.298 -8.514 -4.214 98 HZ2 LYS 10 HZ2 LYS 10 0.915 -9.973 -3.450 99 HZ3 LYS 10 HZ3 LYS 10 2.525 -9.598 -3.803 100 H GLU 11 H GLU 11 0.741 -2.834 -2.196 101 HA GLU 11 HA GLU 11 1.357 -0.621 -2.340 102 HB2 GLU 11 HB3 GLU 11 2.993 -1.240 -0.323 103 HB3 GLU 11 HB2 GLU 11 4.202 -1.104 -1.585 104 HG2 GLU 11 HG3 GLU 11 2.257 1.049 -0.803 105 HG3 GLU 11 HG2 GLU 11 3.934 0.942 -0.276 106 H LYS 12 H LYS 12 2.366 0.573 -4.050 107 HA LYS 12 HA LYS 12 3.954 -0.951 -5.956 108 HB2 LYS 12 HB3 LYS 12 2.437 -0.776 -7.782 109 HB3 LYS 12 HB2 LYS 12 1.543 -1.462 -6.442 110 HG2 LYS 12 HG3 LYS 12 1.416 1.471 -6.803 111 HG3 LYS 12 HG2 LYS 12 0.579 0.464 -7.980 112 HD2 LYS 12 HD3 LYS 12 -0.503 -0.685 -5.970 113 HD3 LYS 12 HD2 LYS 12 0.106 0.682 -5.017 114 HE2 LYS 12 HE3 LYS 12 -1.140 2.240 -6.291 115 HE3 LYS 12 HE2 LYS 12 -1.512 1.042 -7.527 116 HZ1 LYS 12 HZ1 LYS 12 -2.584 1.154 -4.764 117 HZ2 LYS 12 HZ2 LYS 12 -2.832 -0.151 -5.817 118 HZ3 LYS 12 HZ3 LYS 12 -3.434 1.382 -6.203 119 H LEU 13 H LEU 13 4.513 1.371 -4.386 120 HA LEU 13 HA LEU 13 5.460 3.414 -4.523 121 HB2 LEU 13 HB3 LEU 13 6.677 2.470 -6.462 122 HB3 LEU 13 HB2 LEU 13 5.383 3.000 -7.517 123 HG LEU 13 HG LEU 13 5.883 5.347 -6.937 124 HD11 LEU 13 HD11 LEU 13 6.799 5.054 -4.725 125 HD12 LEU 13 HD12 LEU 13 7.982 5.860 -5.757 126 HD13 LEU 13 HD13 LEU 13 8.164 4.147 -5.377 127 HD21 LEU 13 HD21 LEU 13 8.238 3.762 -7.949 128 HD22 LEU 13 HD22 LEU 13 8.001 5.496 -8.159 129 HD23 LEU 13 HD23 LEU 13 6.889 4.356 -8.913 130 H ARG 14 H ARG 14 2.938 3.466 -3.935 131 HA ARG 14 HA ARG 14 1.699 5.505 -5.666 132 HB2 ARG 14 HB3 ARG 14 0.458 3.350 -5.232 133 HB3 ARG 14 HB2 ARG 14 0.338 3.840 -3.549 134 HG2 ARG 14 HG3 ARG 14 -1.710 4.348 -4.742 135 HG3 ARG 14 HG2 ARG 14 -0.915 5.833 -4.215 136 HD2 ARG 14 HD3 ARG 14 -0.014 6.171 -6.440 137 HD3 ARG 14 HD2 ARG 14 -0.709 4.644 -6.979 138 HE ARG 14 HE ARG 14 -2.857 6.047 -6.092 139 HH11 ARG 14 HH11 ARG 14 -0.270 6.740 -8.338 140 HH12 ARG 14 HH12 ARG 14 -1.235 7.766 -9.347 141 HH21 ARG 14 HH22 ARG 14 -4.154 7.388 -7.433 142 HH22 ARG 14 HH21 ARG 14 -3.452 8.120 -8.841 143 H THR 15 H THR 15 3.027 4.916 -2.514 144 HA THR 15 HA THR 15 3.349 6.185 -0.717 145 HB THR 15 HB THR 15 4.036 8.475 -1.178 146 HG1 THR 15 HG1 THR 15 2.448 8.299 -3.264 147 HG21 THR 15 HG21 THR 15 5.911 7.934 -2.651 148 HG22 THR 15 HG22 THR 15 5.074 6.468 -3.162 149 HG23 THR 15 HG23 THR 15 5.607 6.642 -1.491 150 H VAL 16 H VAL 16 1.327 5.770 0.175 151 HA VAL 16 HA VAL 16 -0.077 7.944 1.162 152 HB VAL 16 HB VAL 16 -0.895 8.050 -1.236 153 HG11 VAL 16 HG11 VAL 16 -2.422 5.558 -0.531 154 HG12 VAL 16 HG12 VAL 16 -1.087 5.666 -1.679 155 HG13 VAL 16 HG13 VAL 16 -2.599 6.518 -2.001 156 HG21 VAL 16 HG21 VAL 16 -2.902 7.746 0.982 157 HG22 VAL 16 HG22 VAL 16 -3.294 8.379 -0.615 158 HG23 VAL 16 HG23 VAL 16 -2.129 9.218 0.406 159 H ILE 17 H ILE 17 -2.689 6.218 1.248 160 HA ILE 17 HA ILE 17 -1.938 4.615 3.461 161 HB ILE 17 HB ILE 17 -4.177 3.688 3.430 162 HG12 ILE 17 HG13 ILE 17 -5.067 5.273 1.099 163 HG13 ILE 17 HG12 ILE 17 -4.077 3.867 0.726 164 HG21 ILE 17 HG21 ILE 17 -5.460 5.763 3.640 165 HG22 ILE 17 HG22 ILE 17 -4.166 6.641 2.825 166 HG23 ILE 17 HG23 ILE 17 -3.872 5.895 4.397 167 HD11 ILE 17 HD11 ILE 17 -6.561 3.803 2.407 168 HD12 ILE 17 HD12 ILE 17 -5.608 2.423 1.864 169 HD13 ILE 17 HD13 ILE 17 -6.490 3.404 0.692 170 H THR 18 H THR 18 -1.739 4.129 0.123 171 HA THR 18 HA THR 18 -1.861 1.351 -0.109 172 HB THR 18 HB THR 18 -0.065 3.280 -1.591 173 HG1 THR 18 HG1 THR 18 -2.813 2.653 -1.760 174 HG21 THR 18 HG21 THR 18 0.528 0.980 -2.015 175 HG22 THR 18 HG22 THR 18 -0.294 1.649 -3.417 176 HG23 THR 18 HG23 THR 18 -1.156 0.564 -2.329 177 H SER 19 H SER 19 0.894 3.507 0.386 178 HA SER 19 HA SER 19 2.602 1.372 1.280 179 HB2 SER 19 HB3 SER 19 4.109 3.443 1.759 180 HB3 SER 19 HB2 SER 19 3.731 3.038 0.083 181 HG SER 19 HG SER 19 2.776 5.147 1.671 182 H HIS 20 H HIS 20 0.280 1.560 2.877 183 HA HIS 20 HA HIS 20 1.202 2.843 5.353 184 HB2 HIS 20 HB3 HIS 20 -1.166 3.187 4.523 185 HB3 HIS 20 HB2 HIS 20 -1.454 1.484 4.858 186 HD1 HIS 20 HD1 HIS 20 -2.448 1.054 7.081 187 HD2 HIS 20 HD2 HIS 20 -0.238 4.570 7.032 188 HE1 HIS 20 HE1 HIS 20 -2.737 2.064 9.363 189 HE2 HIS 20 HE2 HIS 20 -1.286 4.121 9.352 190 H ILE 21 H ILE 21 -0.279 -0.237 4.353 191 HA ILE 21 HA ILE 21 1.031 -1.603 6.552 192 HB ILE 21 HB ILE 21 -0.753 -2.676 4.359 193 HG12 ILE 21 HG13 ILE 21 -1.275 -2.123 7.291 194 HG13 ILE 21 HG12 ILE 21 -1.888 -1.173 5.942 195 HG21 ILE 21 HG21 ILE 21 0.750 -4.415 5.118 196 HG22 ILE 21 HG22 ILE 21 -0.864 -4.718 5.763 197 HG23 ILE 21 HG23 ILE 21 0.387 -4.036 6.801 198 HD11 ILE 21 HD11 ILE 21 -3.584 -2.655 6.860 199 HD12 ILE 21 HD12 ILE 21 -2.563 -4.049 6.508 200 HD13 ILE 21 HD13 ILE 21 -3.202 -3.068 5.189 201 H ASP 22 H ASP 22 0.941 -1.932 2.985 202 HA ASP 22 HA ASP 22 2.609 -2.332 1.466 203 HB2 ASP 22 HB3 ASP 22 3.781 -0.565 2.744 204 HB3 ASP 22 HB2 ASP 22 4.405 -1.780 3.840 205 H LYS 23 H LYS 23 4.285 -3.996 0.879 206 HA LYS 23 HA LYS 23 3.937 -6.480 2.265 207 HB2 LYS 23 HB3 LYS 23 6.120 -6.985 0.747 208 HB3 LYS 23 HB2 LYS 23 4.469 -7.090 0.163 209 HG2 LYS 23 HG3 LYS 23 5.807 -5.913 -1.432 210 HG3 LYS 23 HG2 LYS 23 4.661 -4.790 -0.704 211 HD2 LYS 23 HD3 LYS 23 6.619 -4.262 0.919 212 HD3 LYS 23 HD2 LYS 23 7.621 -4.983 -0.341 213 HE2 LYS 23 HE3 LYS 23 5.725 -2.665 -0.680 214 HE3 LYS 23 HE2 LYS 23 7.479 -2.560 -0.600 215 HZ1 LYS 23 HZ1 LYS 23 6.676 -2.461 -2.869 216 HZ2 LYS 23 HZ2 LYS 23 5.927 -3.965 -2.702 217 HZ3 LYS 23 HZ3 LYS 23 7.611 -3.844 -2.637 218 H VAL 24 H VAL 24 5.046 -4.145 3.711 219 HA VAL 24 HA VAL 24 6.426 -3.736 5.438 220 HB VAL 24 HB VAL 24 7.020 -6.691 5.524 221 HG11 VAL 24 HG11 VAL 24 6.904 -4.532 7.625 222 HG12 VAL 24 HG12 VAL 24 8.335 -5.394 7.063 223 HG13 VAL 24 HG13 VAL 24 7.090 -6.250 7.974 224 HG21 VAL 24 HG21 VAL 24 5.019 -6.927 6.935 225 HG22 VAL 24 HG22 VAL 24 4.612 -6.427 5.294 226 HG23 VAL 24 HG23 VAL 24 4.599 -5.247 6.605 227 H LEU 25 H LEU 25 7.535 -3.211 3.057 228 HA LEU 25 HA LEU 25 10.360 -3.808 3.602 229 HB2 LEU 25 HB3 LEU 25 9.027 -3.805 0.899 230 HB3 LEU 25 HB2 LEU 25 10.764 -3.751 1.122 231 HG LEU 25 HG LEU 25 8.937 -6.009 1.962 232 HD11 LEU 25 HD11 LEU 25 9.283 -5.898 -0.447 233 HD12 LEU 25 HD12 LEU 25 10.118 -7.284 0.249 234 HD13 LEU 25 HD13 LEU 25 11.027 -5.843 -0.203 235 HD21 LEU 25 HD21 LEU 25 11.016 -7.204 2.501 236 HD22 LEU 25 HD22 LEU 25 10.780 -5.790 3.525 237 HD23 LEU 25 HD23 LEU 25 11.932 -5.729 2.192 238 H ARG 26 H ARG 26 8.008 -1.568 2.105 239 HA ARG 26 HA ARG 26 9.769 0.608 2.864 240 HB2 ARG 26 HB3 ARG 26 9.663 1.589 0.520 241 HB3 ARG 26 HB2 ARG 26 10.755 0.240 0.778 242 HG2 ARG 26 HG3 ARG 26 9.832 -0.593 -1.073 243 HG3 ARG 26 HG2 ARG 26 8.499 -1.043 -0.016 244 HD2 ARG 26 HD3 ARG 26 7.756 0.108 -2.068 245 HD3 ARG 26 HD2 ARG 26 7.294 0.960 -0.597 246 HE ARG 26 HE ARG 26 9.180 2.478 -1.039 247 HH11 ARG 26 HH11 ARG 26 7.913 0.584 -3.700 248 HH12 ARG 26 HH12 ARG 26 8.507 1.669 -4.917 249 HH21 ARG 26 HH22 ARG 26 9.942 3.914 -2.635 250 HH22 ARG 26 HH21 ARG 26 9.654 3.565 -4.310 251 HA PRO 27 HA PRO 27 5.230 1.792 2.942 252 HB2 PRO 27 HB2 PRO 27 5.619 2.025 5.841 253 HB3 PRO 27 HB3 PRO 27 4.350 1.166 4.948 254 HG2 PRO 27 HG3 PRO 27 6.267 -0.138 6.318 255 HG3 PRO 27 HG2 PRO 27 5.578 -0.770 4.814 256 HD2 PRO 27 HD3 PRO 27 8.177 0.667 5.247 257 HD3 PRO 27 HD2 PRO 27 7.841 -0.773 4.259 258 H GLN 28 H GLN 28 4.525 3.954 3.420 259 HA GLN 28 HA GLN 28 6.381 5.754 4.700 260 HB2 GLN 28 HB3 GLN 28 6.629 7.296 2.862 261 HB3 GLN 28 HB2 GLN 28 7.216 5.717 2.391 262 HG2 GLN 28 HG3 GLN 28 6.118 6.513 0.511 263 HG3 GLN 28 HG2 GLN 28 4.937 5.417 1.221 264 HE21 GLN 28 HE22 GLN 28 5.800 8.749 0.665 265 HE22 GLN 28 HE21 GLN 28 4.236 9.414 0.980 266 H GLY 29 H GLY 29 3.366 4.715 4.339 267 HA2 GLY 29 HA3 GLY 29 2.165 7.390 4.641 268 HA3 GLY 29 HA2 GLY 29 1.337 6.032 3.890 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 -10.790 -0.115 4.683 2 H2 ARG 1 H2 ARG 1 -9.860 1.131 4.022 3 H3 ARG 1 H3 ARG 1 -9.627 -0.459 3.509 4 HA ARG 1 HA ARG 1 -11.781 -0.533 2.515 5 HB2 ARG 1 HB3 ARG 1 -12.022 2.345 3.420 6 HB3 ARG 1 HB2 ARG 1 -13.179 1.481 2.418 7 HG2 ARG 1 HG3 ARG 1 -12.506 0.948 5.300 8 HG3 ARG 1 HG2 ARG 1 -14.021 1.573 4.649 9 HD2 ARG 1 HD3 ARG 1 -12.877 -1.179 4.166 10 HD3 ARG 1 HD2 ARG 1 -14.224 -0.788 5.232 11 HE ARG 1 HE ARG 1 -15.102 0.162 2.895 12 HH11 ARG 1 HH12 ARG 1 -13.628 -2.908 3.708 13 HH12 ARG 1 HH11 ARG 1 -14.481 -3.784 2.476 14 HH21 ARG 1 HH21 ARG 1 -16.243 -1.001 1.286 15 HH22 ARG 1 HH22 ARG 1 -15.977 -2.707 1.117 16 H LYS 2 H LYS 2 -10.636 -0.859 0.719 17 HA LYS 2 HA LYS 2 -10.235 1.144 -1.190 18 HB2 LYS 2 HB3 LYS 2 -8.327 1.465 0.665 19 HB3 LYS 2 HB2 LYS 2 -7.566 0.174 -0.248 20 HG2 LYS 2 HG3 LYS 2 -6.757 2.311 -0.990 21 HG3 LYS 2 HG2 LYS 2 -7.685 1.559 -2.272 22 HD2 LYS 2 HD3 LYS 2 -9.602 2.961 -1.739 23 HD3 LYS 2 HD2 LYS 2 -8.718 3.679 -0.391 24 HE2 LYS 2 HE3 LYS 2 -7.089 4.615 -1.923 25 HE3 LYS 2 HE2 LYS 2 -7.885 3.834 -3.287 26 HZ1 LYS 2 HZ1 LYS 2 -8.513 6.144 -3.149 27 HZ2 LYS 2 HZ2 LYS 2 -9.056 5.946 -1.561 28 HZ3 LYS 2 HZ3 LYS 2 -9.859 5.175 -2.830 29 H CYS 3 H CYS 3 -7.984 -0.160 -2.536 30 HA CYS 3 HA CYS 3 -9.235 -2.638 -3.295 31 HB2 CYS 3 HB3 CYS 3 -6.748 -2.655 -4.487 32 HB3 CYS 3 HB2 CYS 3 -8.221 -2.004 -5.195 33 H ASN 4 H ASN 4 -7.522 -1.848 -0.688 34 HA ASN 4 HA ASN 4 -6.536 -2.987 0.983 35 HB2 ASN 4 HB3 ASN 4 -7.699 -5.263 -0.571 36 HB3 ASN 4 HB2 ASN 4 -6.626 -5.589 0.785 37 HD21 ASN 4 HD22 ASN 4 -8.230 -6.530 2.000 38 HD22 ASN 4 HD21 ASN 4 -9.512 -5.617 2.720 39 H PHE 5 H PHE 5 -5.672 -5.514 -1.291 40 HA PHE 5 HA PHE 5 -2.921 -5.189 -0.509 41 HB2 PHE 5 HB3 PHE 5 -2.628 -7.154 -2.152 42 HB3 PHE 5 HB2 PHE 5 -3.510 -7.429 -0.657 43 HD1 PHE 5 HD2 PHE 5 -3.906 -6.874 -4.293 44 HD2 PHE 5 HD1 PHE 5 -5.769 -8.083 -0.663 45 HE1 PHE 5 HE2 PHE 5 -5.845 -7.695 -5.563 46 HE2 PHE 5 HE1 PHE 5 -7.710 -8.907 -1.929 47 HZ PHE 5 HZ PHE 5 -7.750 -8.713 -4.382 48 H LEU 6 H LEU 6 -1.182 -4.833 -1.888 49 HA LEU 6 HA LEU 6 -0.079 -3.390 -3.244 50 HB2 LEU 6 HB3 LEU 6 -2.159 -4.313 -5.227 51 HB3 LEU 6 HB2 LEU 6 -0.720 -3.412 -5.645 52 HG LEU 6 HG LEU 6 -0.119 -5.562 -6.209 53 HD11 LEU 6 HD11 LEU 6 1.211 -4.468 -4.068 54 HD12 LEU 6 HD12 LEU 6 1.739 -5.850 -5.034 55 HD13 LEU 6 HD13 LEU 6 0.863 -6.116 -3.532 56 HD21 LEU 6 HD21 LEU 6 -2.100 -6.681 -5.395 57 HD22 LEU 6 HD22 LEU 6 -1.512 -6.562 -3.737 58 HD23 LEU 6 HD23 LEU 6 -0.653 -7.564 -4.907 59 H CYS 7 H CYS 7 -1.980 -2.263 -1.578 60 HA CYS 7 HA CYS 7 -2.538 0.232 -2.884 61 HB2 CYS 7 HB3 CYS 7 -4.715 -1.722 -2.264 62 HB3 CYS 7 HB2 CYS 7 -5.036 0.003 -2.117 63 H LYS 8 H LYS 8 -2.100 -1.702 -0.151 64 HA LYS 8 HA LYS 8 -1.867 0.391 1.691 65 HB2 LYS 8 HB3 LYS 8 -4.310 0.533 1.509 66 HB3 LYS 8 HB2 LYS 8 -4.451 -1.181 1.868 67 HG2 LYS 8 HG3 LYS 8 -3.488 -0.768 4.093 68 HG3 LYS 8 HG2 LYS 8 -3.432 0.956 3.727 69 HD2 LYS 8 HD3 LYS 8 -5.933 -0.727 3.764 70 HD3 LYS 8 HD2 LYS 8 -5.400 0.324 5.075 71 HE2 LYS 8 HE3 LYS 8 -6.081 1.202 2.273 72 HE3 LYS 8 HE2 LYS 8 -7.107 1.396 3.691 73 HZ1 LYS 8 HZ1 LYS 8 -5.950 3.432 3.250 74 HZ2 LYS 8 HZ2 LYS 8 -4.450 2.649 3.258 75 HZ3 LYS 8 HZ3 LYS 8 -5.353 2.773 4.685 76 H LEU 9 H LEU 9 -3.186 -2.891 1.608 77 HA LEU 9 HA LEU 9 -1.664 -3.897 3.771 78 HB2 LEU 9 HB3 LEU 9 -3.175 -5.159 1.509 79 HB3 LEU 9 HB2 LEU 9 -2.184 -6.150 2.562 80 HG LEU 9 HG LEU 9 -3.524 -5.380 4.504 81 HD11 LEU 9 HD11 LEU 9 -5.655 -4.249 4.121 82 HD12 LEU 9 HD12 LEU 9 -5.258 -4.077 2.412 83 HD13 LEU 9 HD13 LEU 9 -4.293 -3.242 3.628 84 HD21 LEU 9 HD21 LEU 9 -5.529 -6.680 3.957 85 HD22 LEU 9 HD22 LEU 9 -4.051 -7.477 3.420 86 HD23 LEU 9 HD23 LEU 9 -5.076 -6.642 2.254 87 H LYS 10 H LYS 10 -1.292 -4.533 0.271 88 HA LYS 10 HA LYS 10 1.621 -4.390 0.703 89 HB2 LYS 10 HB3 LYS 10 0.315 -5.296 -1.854 90 HB3 LYS 10 HB2 LYS 10 1.948 -5.606 -1.293 91 HG2 LYS 10 HG3 LYS 10 1.079 -7.069 0.446 92 HG3 LYS 10 HG2 LYS 10 -0.559 -6.751 -0.117 93 HD2 LYS 10 HD3 LYS 10 0.077 -7.685 -2.327 94 HD3 LYS 10 HD2 LYS 10 1.647 -8.114 -1.647 95 HE2 LYS 10 HE3 LYS 10 0.466 -9.472 0.065 96 HE3 LYS 10 HE2 LYS 10 -1.048 -9.122 -0.769 97 HZ1 LYS 10 HZ1 LYS 10 -0.176 -10.211 -2.738 98 HZ2 LYS 10 HZ2 LYS 10 -0.153 -11.265 -1.415 99 HZ3 LYS 10 HZ3 LYS 10 1.281 -10.538 -1.942 100 H GLU 11 H GLU 11 2.390 -3.592 -1.852 101 HA GLU 11 HA GLU 11 1.199 -0.901 -1.913 102 HB2 GLU 11 HB3 GLU 11 3.396 0.069 -2.103 103 HB3 GLU 11 HB2 GLU 11 3.268 -0.907 -0.646 104 HG2 GLU 11 HG3 GLU 11 5.318 -1.525 -1.409 105 HG3 GLU 11 HG2 GLU 11 4.311 -2.764 -2.136 106 H LYS 12 H LYS 12 2.084 0.386 -3.817 107 HA LYS 12 HA LYS 12 2.932 -1.050 -6.145 108 HB2 LYS 12 HB3 LYS 12 1.073 -0.701 -7.553 109 HB3 LYS 12 HB2 LYS 12 0.370 -1.295 -6.066 110 HG2 LYS 12 HG3 LYS 12 0.513 1.590 -6.843 111 HG3 LYS 12 HG2 LYS 12 -0.865 0.536 -7.152 112 HD2 LYS 12 HD3 LYS 12 -0.976 0.118 -4.685 113 HD3 LYS 12 HD2 LYS 12 0.245 1.388 -4.486 114 HE2 LYS 12 HE3 LYS 12 -1.785 2.512 -4.232 115 HE3 LYS 12 HE2 LYS 12 -1.268 2.811 -5.892 116 HZ1 LYS 12 HZ1 LYS 12 -3.659 2.242 -5.651 117 HZ2 LYS 12 HZ2 LYS 12 -3.199 0.690 -5.168 118 HZ3 LYS 12 HZ3 LYS 12 -2.809 1.247 -6.715 119 H LEU 13 H LEU 13 3.696 1.168 -4.332 120 HA LEU 13 HA LEU 13 4.425 3.308 -4.260 121 HB2 LEU 13 HB3 LEU 13 4.401 3.026 -7.264 122 HB3 LEU 13 HB2 LEU 13 5.090 4.392 -6.410 123 HG LEU 13 HG LEU 13 6.036 1.531 -6.180 124 HD11 LEU 13 HD11 LEU 13 7.275 3.906 -7.565 125 HD12 LEU 13 HD12 LEU 13 6.543 2.512 -8.358 126 HD13 LEU 13 HD13 LEU 13 8.005 2.311 -7.393 127 HD21 LEU 13 HD21 LEU 13 7.918 2.500 -4.943 128 HD22 LEU 13 HD22 LEU 13 6.383 2.776 -4.119 129 HD23 LEU 13 HD23 LEU 13 7.147 4.085 -5.020 130 H ARG 14 H ARG 14 3.264 4.978 -3.604 131 HA ARG 14 HA ARG 14 1.503 6.423 -5.251 132 HB2 ARG 14 HB3 ARG 14 0.100 4.377 -4.860 133 HB3 ARG 14 HB2 ARG 14 0.082 4.780 -3.146 134 HG2 ARG 14 HG3 ARG 14 -1.956 5.467 -4.398 135 HG3 ARG 14 HG2 ARG 14 -1.142 6.784 -3.557 136 HD2 ARG 14 HD3 ARG 14 -1.906 7.364 -5.854 137 HD3 ARG 14 HD2 ARG 14 -0.178 7.583 -5.594 138 HE ARG 14 HE ARG 14 -0.717 5.016 -6.677 139 HH11 ARG 14 HH11 ARG 14 -0.549 8.398 -7.541 140 HH12 ARG 14 HH12 ARG 14 -0.136 8.088 -9.196 141 HH21 ARG 14 HH22 ARG 14 -0.147 4.598 -8.855 142 HH22 ARG 14 HH21 ARG 14 0.097 5.929 -9.945 143 H THR 15 H THR 15 0.736 5.764 -1.880 144 HA THR 15 HA THR 15 2.306 7.835 -0.771 145 HB THR 15 HB THR 15 0.684 9.240 -2.033 146 HG1 THR 15 HG1 THR 15 1.550 10.184 -0.219 147 HG21 THR 15 HG21 THR 15 -1.357 8.079 -0.133 148 HG22 THR 15 HG22 THR 15 -1.278 7.774 -1.867 149 HG23 THR 15 HG23 THR 15 -1.631 9.395 -1.274 150 H VAL 16 H VAL 16 0.863 8.492 1.452 151 HA VAL 16 HA VAL 16 1.308 6.431 3.162 152 HB VAL 16 HB VAL 16 0.924 8.824 3.770 153 HG11 VAL 16 HG11 VAL 16 -1.969 8.005 3.600 154 HG12 VAL 16 HG12 VAL 16 -1.155 9.244 2.641 155 HG13 VAL 16 HG13 VAL 16 -1.385 9.480 4.374 156 HG21 VAL 16 HG21 VAL 16 -0.528 6.748 5.405 157 HG22 VAL 16 HG22 VAL 16 0.004 8.325 5.991 158 HG23 VAL 16 HG23 VAL 16 1.193 7.128 5.480 159 H ILE 17 H ILE 17 -1.710 6.927 1.346 160 HA ILE 17 HA ILE 17 -3.296 5.164 2.853 161 HB ILE 17 HB ILE 17 -4.237 6.656 1.112 162 HG12 ILE 17 HG13 ILE 17 -5.476 4.620 1.955 163 HG13 ILE 17 HG12 ILE 17 -6.008 5.217 0.389 164 HG21 ILE 17 HG21 ILE 17 -3.061 4.719 -0.869 165 HG22 ILE 17 HG22 ILE 17 -2.575 6.396 -0.624 166 HG23 ILE 17 HG23 ILE 17 -4.180 6.028 -1.249 167 HD11 ILE 17 HD11 ILE 17 -5.301 3.376 -0.707 168 HD12 ILE 17 HD12 ILE 17 -5.618 2.647 0.871 169 HD13 ILE 17 HD13 ILE 17 -3.971 3.077 0.406 170 H THR 18 H THR 18 -1.112 4.606 0.152 171 HA THR 18 HA THR 18 -1.488 1.740 0.190 172 HB THR 18 HB THR 18 0.546 3.418 -1.293 173 HG1 THR 18 HG1 THR 18 -2.137 2.788 -1.779 174 HG21 THR 18 HG21 THR 18 -0.418 0.619 -1.869 175 HG22 THR 18 HG22 THR 18 1.088 1.001 -1.034 176 HG23 THR 18 HG23 THR 18 0.856 1.505 -2.705 177 H SER 19 H SER 19 0.967 4.115 0.931 178 HA SER 19 HA SER 19 2.815 2.245 2.076 179 HB2 SER 19 HB3 SER 19 3.496 4.367 0.982 180 HB3 SER 19 HB2 SER 19 2.697 5.278 2.264 181 HG SER 19 HG SER 19 4.165 4.239 3.739 182 H HIS 20 H HIS 20 0.059 2.312 3.148 183 HA HIS 20 HA HIS 20 0.014 3.501 5.715 184 HB2 HIS 20 HB3 HIS 20 -1.999 2.735 4.463 185 HB3 HIS 20 HB2 HIS 20 -1.497 1.069 4.732 186 HD1 HIS 20 HD1 HIS 20 -2.582 -0.010 6.672 187 HD2 HIS 20 HD2 HIS 20 -2.387 4.121 7.107 188 HE1 HIS 20 HE1 HIS 20 -3.777 0.501 8.823 189 HE2 HIS 20 HE2 HIS 20 -3.544 2.992 9.123 190 H ILE 21 H ILE 21 1.047 0.376 4.523 191 HA ILE 21 HA ILE 21 2.708 -0.010 6.823 192 HB ILE 21 HB ILE 21 0.689 -0.893 7.792 193 HG12 ILE 21 HG13 ILE 21 1.351 -3.256 8.188 194 HG13 ILE 21 HG12 ILE 21 2.525 -3.117 6.885 195 HG21 ILE 21 HG21 ILE 21 0.454 -2.666 5.369 196 HG22 ILE 21 HG22 ILE 21 -0.596 -1.309 5.781 197 HG23 ILE 21 HG23 ILE 21 -0.567 -2.745 6.806 198 HD11 ILE 21 HD11 ILE 21 3.691 -1.372 8.137 199 HD12 ILE 21 HD12 ILE 21 3.591 -2.880 9.043 200 HD13 ILE 21 HD13 ILE 21 2.521 -1.538 9.444 201 H ASP 22 H ASP 22 1.245 -1.520 3.960 202 HA ASP 22 HA ASP 22 2.142 -2.598 2.180 203 HB2 ASP 22 HB3 ASP 22 3.661 -0.723 1.959 204 HB3 ASP 22 HB2 ASP 22 4.715 -1.371 3.197 205 H LYS 23 H LYS 23 3.739 -4.378 1.546 206 HA LYS 23 HA LYS 23 3.798 -6.458 3.424 207 HB2 LYS 23 HB3 LYS 23 5.341 -7.594 1.900 208 HB3 LYS 23 HB2 LYS 23 4.014 -6.864 1.014 209 HG2 LYS 23 HG3 LYS 23 6.252 -5.057 1.199 210 HG3 LYS 23 HG2 LYS 23 6.731 -6.600 0.496 211 HD2 LYS 23 HD3 LYS 23 5.001 -6.416 -1.181 212 HD3 LYS 23 HD2 LYS 23 4.390 -4.939 -0.432 213 HE2 LYS 23 HE3 LYS 23 5.714 -4.346 -2.347 214 HE3 LYS 23 HE2 LYS 23 6.576 -3.856 -0.889 215 HZ1 LYS 23 HZ1 LYS 23 8.063 -4.893 -2.465 216 HZ2 LYS 23 HZ2 LYS 23 7.119 -6.292 -2.504 217 HZ3 LYS 23 HZ3 LYS 23 7.933 -5.862 -1.090 218 H VAL 24 H VAL 24 6.142 -3.882 2.714 219 HA VAL 24 HA VAL 24 7.653 -4.691 5.097 220 HB VAL 24 HB VAL 24 9.830 -4.560 3.947 221 HG11 VAL 24 HG11 VAL 24 7.942 -6.636 2.857 222 HG12 VAL 24 HG12 VAL 24 8.890 -6.744 4.340 223 HG13 VAL 24 HG13 VAL 24 9.701 -6.730 2.774 224 HG21 VAL 24 HG21 VAL 24 9.155 -3.177 2.054 225 HG22 VAL 24 HG22 VAL 24 8.195 -4.510 1.414 226 HG23 VAL 24 HG23 VAL 24 9.950 -4.656 1.513 227 H LEU 25 H LEU 25 6.076 -2.324 3.798 228 HA LEU 25 HA LEU 25 6.081 -0.044 3.906 229 HB2 LEU 25 HB3 LEU 25 6.788 -0.584 6.265 230 HB3 LEU 25 HB2 LEU 25 8.448 -0.363 5.754 231 HG LEU 25 HG LEU 25 7.992 1.985 5.235 232 HD11 LEU 25 HD11 LEU 25 5.649 1.821 4.620 233 HD12 LEU 25 HD12 LEU 25 5.859 2.999 5.915 234 HD13 LEU 25 HD13 LEU 25 5.225 1.393 6.277 235 HD21 LEU 25 HD21 LEU 25 7.702 2.772 7.522 236 HD22 LEU 25 HD22 LEU 25 8.777 1.375 7.460 237 HD23 LEU 25 HD23 LEU 25 7.109 1.181 8.001 238 H ARG 26 H ARG 26 7.187 -1.090 1.702 239 HA ARG 26 HA ARG 26 9.818 0.033 1.274 240 HB2 ARG 26 HB3 ARG 26 9.603 -2.125 0.409 241 HB3 ARG 26 HB2 ARG 26 8.016 -1.800 -0.268 242 HG2 ARG 26 HG3 ARG 26 10.279 -0.234 -1.346 243 HG3 ARG 26 HG2 ARG 26 10.219 -1.952 -1.745 244 HD2 ARG 26 HD3 ARG 26 8.160 -1.747 -2.832 245 HD3 ARG 26 HD2 ARG 26 7.812 -0.195 -2.059 246 HE ARG 26 HE ARG 26 9.898 0.513 -3.470 247 HH11 ARG 26 HH11 ARG 26 7.256 -1.561 -4.492 248 HH12 ARG 26 HH12 ARG 26 7.487 -1.210 -6.174 249 HH21 ARG 26 HH22 ARG 26 10.181 0.959 -5.687 250 HH22 ARG 26 HH21 ARG 26 9.137 0.206 -6.852 251 HA PRO 27 HA PRO 27 7.149 1.994 -2.326 252 HB2 PRO 27 HB2 PRO 27 4.825 3.207 -1.495 253 HB3 PRO 27 HB3 PRO 27 4.910 1.583 -2.204 254 HG2 PRO 27 HG3 PRO 27 4.778 2.395 0.676 255 HG3 PRO 27 HG2 PRO 27 3.925 1.082 -0.159 256 HD2 PRO 27 HD3 PRO 27 6.082 0.599 1.350 257 HD3 PRO 27 HD2 PRO 27 5.790 -0.298 -0.148 258 H GLN 28 H GLN 28 5.805 3.877 0.353 259 HA GLN 28 HA GLN 28 7.690 6.029 -0.339 260 HB2 GLN 28 HB3 GLN 28 5.128 6.529 1.140 261 HB3 GLN 28 HB2 GLN 28 6.051 7.627 0.128 262 HG2 GLN 28 HG3 GLN 28 4.331 5.340 -0.802 263 HG3 GLN 28 HG2 GLN 28 3.973 7.056 -0.942 264 HE21 GLN 28 HE22 GLN 28 6.687 7.778 -1.705 265 HE22 GLN 28 HE21 GLN 28 6.884 7.233 -3.334 266 H GLY 29 H GLY 29 7.609 3.651 1.601 267 HA2 GLY 29 HA3 GLY 29 7.703 4.954 4.191 268 HA3 GLY 29 HA2 GLY 29 7.863 3.228 3.874 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 -7.736 5.081 -3.251 2 H2 ARG 1 H2 ARG 1 -8.238 5.872 -1.846 3 H3 ARG 1 H3 ARG 1 -9.094 6.089 -3.286 4 HA ARG 1 HA ARG 1 -10.297 4.616 -1.847 5 HB2 ARG 1 HB3 ARG 1 -8.981 3.226 -4.191 6 HB3 ARG 1 HB2 ARG 1 -10.384 2.606 -3.338 7 HG2 ARG 1 HG3 ARG 1 -10.287 5.242 -4.787 8 HG3 ARG 1 HG2 ARG 1 -10.938 3.745 -5.453 9 HD2 ARG 1 HD3 ARG 1 -11.946 5.130 -2.969 10 HD3 ARG 1 HD2 ARG 1 -12.692 5.230 -4.561 11 HE ARG 1 HE ARG 1 -12.394 2.528 -3.670 12 HH11 ARG 1 HH12 ARG 1 -14.401 5.387 -3.406 13 HH12 ARG 1 HH11 ARG 1 -15.826 4.503 -2.968 14 HH21 ARG 1 HH21 ARG 1 -14.273 1.360 -3.098 15 HH22 ARG 1 HH22 ARG 1 -15.757 2.209 -2.798 16 H LYS 2 H LYS 2 -10.334 2.889 -0.422 17 HA LYS 2 HA LYS 2 -7.694 2.029 0.478 18 HB2 LYS 2 HB3 LYS 2 -10.389 1.763 1.820 19 HB3 LYS 2 HB2 LYS 2 -8.871 1.204 2.502 20 HG2 LYS 2 HG3 LYS 2 -9.022 3.203 3.555 21 HG3 LYS 2 HG2 LYS 2 -8.183 3.727 2.098 22 HD2 LYS 2 HD3 LYS 2 -9.949 5.269 2.494 23 HD3 LYS 2 HD2 LYS 2 -10.414 4.280 1.111 24 HE2 LYS 2 HE3 LYS 2 -11.837 2.920 2.528 25 HE3 LYS 2 HE2 LYS 2 -11.322 3.822 3.953 26 HZ1 LYS 2 HZ1 LYS 2 -12.788 4.975 1.642 27 HZ2 LYS 2 HZ2 LYS 2 -12.346 5.795 3.053 28 HZ3 LYS 2 HZ3 LYS 2 -13.486 4.548 3.119 29 H CYS 3 H CYS 3 -7.630 0.687 -1.533 30 HA CYS 3 HA CYS 3 -9.178 -1.704 -1.603 31 HB2 CYS 3 HB3 CYS 3 -6.862 -2.231 -3.035 32 HB3 CYS 3 HB2 CYS 3 -8.358 -1.575 -3.690 33 H ASN 4 H ASN 4 -7.896 -3.891 -1.608 34 HA ASN 4 HA ASN 4 -6.962 -4.042 1.129 35 HB2 ASN 4 HB3 ASN 4 -7.709 -6.206 -0.843 36 HB3 ASN 4 HB2 ASN 4 -7.198 -6.509 0.811 37 HD21 ASN 4 HD22 ASN 4 -9.749 -7.044 -0.591 38 HD22 ASN 4 HD21 ASN 4 -10.964 -6.280 0.374 39 H PHE 5 H PHE 5 -5.818 -6.593 -0.796 40 HA PHE 5 HA PHE 5 -3.124 -6.016 -0.090 41 HB2 PHE 5 HB3 PHE 5 -2.623 -8.016 -1.577 42 HB3 PHE 5 HB2 PHE 5 -3.660 -8.305 -0.189 43 HD1 PHE 5 HD2 PHE 5 -3.563 -7.961 -3.848 44 HD2 PHE 5 HD1 PHE 5 -5.930 -8.986 -0.467 45 HE1 PHE 5 HE2 PHE 5 -5.261 -8.937 -5.334 46 HE2 PHE 5 HE1 PHE 5 -7.629 -9.965 -1.950 47 HZ PHE 5 HZ PHE 5 -7.295 -9.940 -4.385 48 H LEU 6 H LEU 6 -1.373 -5.608 -1.477 49 HA LEU 6 HA LEU 6 -0.355 -4.195 -2.898 50 HB2 LEU 6 HB3 LEU 6 -2.272 -5.645 -4.677 51 HB3 LEU 6 HB2 LEU 6 -1.343 -4.309 -5.329 52 HG LEU 6 HG LEU 6 -0.269 -6.451 -5.813 53 HD11 LEU 6 HD11 LEU 6 1.261 -4.793 -3.800 54 HD12 LEU 6 HD12 LEU 6 1.155 -4.502 -5.540 55 HD13 LEU 6 HD13 LEU 6 1.964 -5.948 -4.938 56 HD21 LEU 6 HD21 LEU 6 -1.095 -7.698 -3.866 57 HD22 LEU 6 HD22 LEU 6 -0.020 -6.761 -2.826 58 HD23 LEU 6 HD23 LEU 6 0.654 -7.838 -4.052 59 H CYS 7 H CYS 7 -1.515 -2.684 -1.366 60 HA CYS 7 HA CYS 7 -2.369 -0.415 -2.710 61 HB2 CYS 7 HB3 CYS 7 -4.431 -1.643 -3.209 62 HB3 CYS 7 HB2 CYS 7 -4.685 -1.951 -1.494 63 H LYS 8 H LYS 8 -4.032 -1.528 0.209 64 HA LYS 8 HA LYS 8 -2.502 0.480 1.699 65 HB2 LYS 8 HB3 LYS 8 -5.004 0.713 1.580 66 HB3 LYS 8 HB2 LYS 8 -5.140 -0.824 2.419 67 HG2 LYS 8 HG3 LYS 8 -4.168 0.068 4.393 68 HG3 LYS 8 HG2 LYS 8 -3.697 1.552 3.562 69 HD2 LYS 8 HD3 LYS 8 -5.587 2.253 4.661 70 HD3 LYS 8 HD2 LYS 8 -6.269 1.759 3.115 71 HE2 LYS 8 HE3 LYS 8 -6.197 0.058 5.604 72 HE3 LYS 8 HE2 LYS 8 -7.589 0.982 5.052 73 HZ1 LYS 8 HZ1 LYS 8 -7.577 -0.363 3.012 74 HZ2 LYS 8 HZ2 LYS 8 -7.810 -1.300 4.399 75 HZ3 LYS 8 HZ3 LYS 8 -6.308 -1.287 3.633 76 H LEU 9 H LEU 9 -3.206 -2.805 1.279 77 HA LEU 9 HA LEU 9 -2.055 -3.577 3.843 78 HB2 LEU 9 HB3 LEU 9 -3.489 -5.145 1.719 79 HB3 LEU 9 HB2 LEU 9 -2.785 -5.873 3.154 80 HG LEU 9 HG LEU 9 -4.927 -3.747 3.229 81 HD11 LEU 9 HD11 LEU 9 -5.147 -6.741 3.413 82 HD12 LEU 9 HD12 LEU 9 -5.846 -5.689 2.182 83 HD13 LEU 9 HD13 LEU 9 -6.433 -5.613 3.844 84 HD21 LEU 9 HD21 LEU 9 -3.826 -5.585 5.352 85 HD22 LEU 9 HD22 LEU 9 -5.183 -4.478 5.556 86 HD23 LEU 9 HD23 LEU 9 -3.569 -3.844 5.242 87 H LYS 10 H LYS 10 -1.733 -5.135 0.618 88 HA LYS 10 HA LYS 10 0.989 -5.774 1.433 89 HB2 LYS 10 HB3 LYS 10 -0.577 -7.542 0.645 90 HB3 LYS 10 HB2 LYS 10 -0.493 -6.837 -0.960 91 HG2 LYS 10 HG3 LYS 10 1.820 -7.317 -1.144 92 HG3 LYS 10 HG2 LYS 10 1.914 -7.767 0.557 93 HD2 LYS 10 HD3 LYS 10 0.400 -9.222 -1.616 94 HD3 LYS 10 HD2 LYS 10 1.896 -9.756 -0.846 95 HE2 LYS 10 HE3 LYS 10 0.683 -9.806 1.328 96 HE3 LYS 10 HE2 LYS 10 -0.802 -9.429 0.453 97 HZ1 LYS 10 HZ1 LYS 10 0.885 -11.840 0.060 98 HZ2 LYS 10 HZ2 LYS 10 -0.520 -11.473 -0.809 99 HZ3 LYS 10 HZ3 LYS 10 -0.610 -11.788 0.848 100 H GLU 11 H GLU 11 0.706 -3.177 0.764 101 HA GLU 11 HA GLU 11 1.923 -1.527 -0.166 102 HB2 GLU 11 HB3 GLU 11 3.689 -3.383 0.190 103 HB3 GLU 11 HB2 GLU 11 3.628 -3.570 -1.550 104 HG2 GLU 11 HG3 GLU 11 4.398 -1.330 -1.882 105 HG3 GLU 11 HG2 GLU 11 4.275 -0.981 -0.158 106 H LYS 12 H LYS 12 2.391 -0.352 -2.082 107 HA LYS 12 HA LYS 12 1.812 -1.242 -4.674 108 HB2 LYS 12 HB3 LYS 12 -0.475 -1.456 -3.969 109 HB3 LYS 12 HB2 LYS 12 -0.477 0.139 -3.255 110 HG2 LYS 12 HG3 LYS 12 0.086 -0.108 -6.148 111 HG3 LYS 12 HG2 LYS 12 -1.562 -0.402 -5.594 112 HD2 LYS 12 HD3 LYS 12 -1.854 1.762 -4.888 113 HD3 LYS 12 HD2 LYS 12 -0.120 2.038 -4.647 114 HE2 LYS 12 HE3 LYS 12 -0.732 3.256 -6.587 115 HE3 LYS 12 HE2 LYS 12 0.119 1.804 -7.123 116 HZ1 LYS 12 HZ1 LYS 12 -2.000 0.770 -7.609 117 HZ2 LYS 12 HZ2 LYS 12 -1.847 2.220 -8.463 118 HZ3 LYS 12 HZ3 LYS 12 -2.829 2.146 -7.086 119 H LEU 13 H LEU 13 1.868 1.360 -2.358 120 HA LEU 13 HA LEU 13 3.321 3.110 -2.260 121 HB2 LEU 13 HB3 LEU 13 4.013 2.516 -5.129 122 HB3 LEU 13 HB2 LEU 13 4.853 3.635 -4.075 123 HG LEU 13 HG LEU 13 4.668 0.670 -3.565 124 HD11 LEU 13 HD11 LEU 13 5.864 1.117 -5.639 125 HD12 LEU 13 HD12 LEU 13 6.957 0.557 -4.375 126 HD13 LEU 13 HD13 LEU 13 6.902 2.268 -4.798 127 HD21 LEU 13 HD21 LEU 13 6.391 2.833 -2.364 128 HD22 LEU 13 HD22 LEU 13 6.512 1.109 -2.013 129 HD23 LEU 13 HD23 LEU 13 5.056 1.999 -1.568 130 H ARG 14 H ARG 14 2.666 5.090 -2.194 131 HA ARG 14 HA ARG 14 1.866 6.599 -4.457 132 HB2 ARG 14 HB3 ARG 14 -0.214 5.195 -3.847 133 HB3 ARG 14 HB2 ARG 14 -0.322 6.201 -2.418 134 HG2 ARG 14 HG3 ARG 14 -0.478 7.159 -5.273 135 HG3 ARG 14 HG2 ARG 14 -1.833 6.947 -4.166 136 HD2 ARG 14 HD3 ARG 14 -0.877 8.662 -2.691 137 HD3 ARG 14 HD2 ARG 14 0.443 8.893 -3.834 138 HE ARG 14 HE ARG 14 -1.865 9.265 -5.285 139 HH11 ARG 14 HH11 ARG 14 -0.373 10.748 -2.476 140 HH12 ARG 14 HH12 ARG 14 -1.087 12.305 -2.771 141 HH21 ARG 14 HH22 ARG 14 -2.798 11.312 -5.670 142 HH22 ARG 14 HH21 ARG 14 -2.470 12.624 -4.579 143 H THR 15 H THR 15 1.014 6.544 -0.994 144 HA THR 15 HA THR 15 2.923 8.633 -0.420 145 HB THR 15 HB THR 15 -0.024 9.150 0.061 146 HG1 THR 15 HG1 THR 15 1.800 10.010 -1.918 147 HG21 THR 15 HG21 THR 15 2.400 10.882 0.551 148 HG22 THR 15 HG22 THR 15 1.419 10.103 1.790 149 HG23 THR 15 HG23 THR 15 0.721 11.369 0.782 150 H VAL 16 H VAL 16 -0.046 7.293 1.103 151 HA VAL 16 HA VAL 16 1.509 6.202 3.278 152 HB VAL 16 HB VAL 16 -0.308 8.571 3.727 153 HG11 VAL 16 HG11 VAL 16 0.586 6.475 5.693 154 HG12 VAL 16 HG12 VAL 16 -1.060 7.005 5.340 155 HG13 VAL 16 HG13 VAL 16 0.052 8.086 6.180 156 HG21 VAL 16 HG21 VAL 16 2.069 9.040 3.337 157 HG22 VAL 16 HG22 VAL 16 2.495 7.964 4.666 158 HG23 VAL 16 HG23 VAL 16 1.588 9.442 4.984 159 H ILE 17 H ILE 17 -1.734 6.856 1.919 160 HA ILE 17 HA ILE 17 -2.867 4.718 3.498 161 HB ILE 17 HB ILE 17 -4.303 6.586 2.845 162 HG12 ILE 17 HG13 ILE 17 -5.218 4.218 3.158 163 HG13 ILE 17 HG12 ILE 17 -6.258 5.380 2.348 164 HG21 ILE 17 HG21 ILE 17 -5.103 6.829 0.527 165 HG22 ILE 17 HG22 ILE 17 -3.884 5.662 0.016 166 HG23 ILE 17 HG23 ILE 17 -3.393 7.200 0.725 167 HD11 ILE 17 HD11 ILE 17 -6.445 3.304 1.211 168 HD12 ILE 17 HD12 ILE 17 -4.695 3.128 1.095 169 HD13 ILE 17 HD13 ILE 17 -5.524 4.385 0.171 170 H THR 18 H THR 18 -1.846 5.180 0.162 171 HA THR 18 HA THR 18 -2.254 2.374 -0.439 172 HB THR 18 HB THR 18 -0.878 3.854 -2.499 173 HG1 THR 18 HG1 THR 18 -3.412 4.963 -2.064 174 HG21 THR 18 HG21 THR 18 -2.227 1.868 -2.899 175 HG22 THR 18 HG22 THR 18 -2.899 3.242 -3.776 176 HG23 THR 18 HG23 THR 18 -3.660 2.692 -2.284 177 H SER 19 H SER 19 -0.067 4.068 1.146 178 HA SER 19 HA SER 19 1.833 1.873 0.889 179 HB2 SER 19 HB3 SER 19 2.744 3.876 -0.342 180 HB3 SER 19 HB2 SER 19 2.695 4.766 1.182 181 HG SER 19 HG SER 19 3.944 2.370 1.485 182 H HIS 20 H HIS 20 0.568 1.181 2.743 183 HA HIS 20 HA HIS 20 0.645 3.009 5.049 184 HB2 HIS 20 HB3 HIS 20 -1.615 2.479 4.071 185 HB3 HIS 20 HB2 HIS 20 -1.371 0.809 4.569 186 HD1 HIS 20 HD1 HIS 20 -2.634 4.008 5.758 187 HD2 HIS 20 HD2 HIS 20 -1.127 0.542 7.492 188 HE1 HIS 20 HE1 HIS 20 -3.367 4.075 8.159 189 HE2 HIS 20 HE2 HIS 20 -2.307 2.058 9.220 190 H ILE 21 H ILE 21 -0.136 -0.470 4.929 191 HA ILE 21 HA ILE 21 1.933 -0.849 6.976 192 HB ILE 21 HB ILE 21 -0.102 -1.917 7.597 193 HG12 ILE 21 HG13 ILE 21 1.869 -3.952 6.549 194 HG13 ILE 21 HG12 ILE 21 1.891 -3.185 8.132 195 HG21 ILE 21 HG21 ILE 21 -0.082 -3.305 4.927 196 HG22 ILE 21 HG22 ILE 21 -1.194 -2.036 5.440 197 HG23 ILE 21 HG23 ILE 21 -1.226 -3.610 6.236 198 HD11 ILE 21 HD11 ILE 21 -0.202 -4.306 8.695 199 HD12 ILE 21 HD12 ILE 21 1.067 -5.452 8.269 200 HD13 ILE 21 HD13 ILE 21 -0.207 -5.080 7.110 201 H ASP 22 H ASP 22 0.942 -2.028 3.827 202 HA ASP 22 HA ASP 22 2.037 -2.855 2.069 203 HB2 ASP 22 HB3 ASP 22 4.381 -1.468 3.374 204 HB3 ASP 22 HB2 ASP 22 4.328 -2.043 1.714 205 H LYS 23 H LYS 23 4.141 -4.167 1.436 206 HA LYS 23 HA LYS 23 4.220 -6.418 3.276 207 HB2 LYS 23 HB3 LYS 23 5.302 -7.627 1.450 208 HB3 LYS 23 HB2 LYS 23 3.833 -6.848 0.882 209 HG2 LYS 23 HG3 LYS 23 5.818 -4.973 0.414 210 HG3 LYS 23 HG2 LYS 23 6.561 -6.518 -0.003 211 HD2 LYS 23 HD3 LYS 23 4.714 -7.031 -1.493 212 HD3 LYS 23 HD2 LYS 23 3.903 -5.533 -1.037 213 HE2 LYS 23 HE3 LYS 23 4.949 -5.087 -3.101 214 HE3 LYS 23 HE2 LYS 23 5.965 -4.315 -1.874 215 HZ1 LYS 23 HZ1 LYS 23 6.469 -6.901 -3.256 216 HZ2 LYS 23 HZ2 LYS 23 7.393 -6.324 -1.965 217 HZ3 LYS 23 HZ3 LYS 23 7.350 -5.471 -3.424 218 H VAL 24 H VAL 24 5.733 -3.623 3.013 219 HA VAL 24 HA VAL 24 7.643 -2.701 3.771 220 HB VAL 24 HB VAL 24 8.257 -5.338 5.115 221 HG11 VAL 24 HG11 VAL 24 10.066 -3.716 5.181 222 HG12 VAL 24 HG12 VAL 24 9.359 -3.910 6.785 223 HG13 VAL 24 HG13 VAL 24 8.969 -2.489 5.817 224 HG21 VAL 24 HG21 VAL 24 6.997 -4.522 7.046 225 HG22 VAL 24 HG22 VAL 24 5.955 -4.706 5.636 226 HG23 VAL 24 HG23 VAL 24 6.499 -3.102 6.128 227 H LEU 25 H LEU 25 7.749 -3.514 1.224 228 HA LEU 25 HA LEU 25 10.356 -4.835 0.923 229 HB2 LEU 25 HB3 LEU 25 8.211 -5.357 -0.488 230 HB3 LEU 25 HB2 LEU 25 8.644 -3.903 -1.360 231 HG LEU 25 HG LEU 25 9.411 -5.975 -2.472 232 HD11 LEU 25 HD11 LEU 25 11.615 -4.166 -1.509 233 HD12 LEU 25 HD12 LEU 25 10.595 -3.924 -2.927 234 HD13 LEU 25 HD13 LEU 25 11.728 -5.275 -2.876 235 HD21 LEU 25 HD21 LEU 25 11.211 -7.285 -1.544 236 HD22 LEU 25 HD22 LEU 25 9.843 -7.280 -0.432 237 HD23 LEU 25 HD23 LEU 25 11.250 -6.269 -0.104 238 H ARG 26 H ARG 26 8.655 -2.012 -0.463 239 HA ARG 26 HA ARG 26 10.834 -0.323 0.389 240 HB2 ARG 26 HB3 ARG 26 11.015 0.651 -2.004 241 HB3 ARG 26 HB2 ARG 26 11.890 -0.815 -1.606 242 HG2 ARG 26 HG3 ARG 26 11.017 -1.346 -3.657 243 HG3 ARG 26 HG2 ARG 26 9.787 -2.007 -2.581 244 HD2 ARG 26 HD3 ARG 26 8.838 -0.764 -4.487 245 HD3 ARG 26 HD2 ARG 26 8.380 -0.080 -2.928 246 HE ARG 26 HE ARG 26 10.147 1.614 -3.327 247 HH11 ARG 26 HH11 ARG 26 8.764 -0.087 -6.065 248 HH12 ARG 26 HH12 ARG 26 9.107 1.188 -7.185 249 HH21 ARG 26 HH22 ARG 26 10.583 3.286 -4.795 250 HH22 ARG 26 HH21 ARG 26 10.139 3.108 -6.465 251 HA PRO 27 HA PRO 27 6.408 1.442 0.250 252 HB2 PRO 27 HB2 PRO 27 7.053 1.874 3.118 253 HB3 PRO 27 HB3 PRO 27 5.550 1.300 2.370 254 HG2 PRO 27 HG3 PRO 27 7.142 -0.378 3.677 255 HG3 PRO 27 HG2 PRO 27 6.322 -0.871 2.180 256 HD2 PRO 27 HD3 PRO 27 9.175 -0.035 2.602 257 HD3 PRO 27 HD2 PRO 27 8.527 -1.352 1.601 258 H GLN 28 H GLN 28 5.825 3.706 0.812 259 HA GLN 28 HA GLN 28 8.145 5.406 1.397 260 HB2 GLN 28 HB3 GLN 28 7.334 7.065 -0.276 261 HB3 GLN 28 HB2 GLN 28 7.932 5.571 -0.976 262 HG2 GLN 28 HG3 GLN 28 5.675 4.804 -1.366 263 HG3 GLN 28 HG2 GLN 28 5.022 6.236 -0.565 264 HE21 GLN 28 HE22 GLN 28 4.700 5.251 -3.331 265 HE22 GLN 28 HE21 GLN 28 5.189 6.561 -4.342 266 H GLY 29 H GLY 29 5.806 4.412 2.920 267 HA2 GLY 29 HA3 GLY 29 4.432 6.943 3.497 268 HA3 GLY 29 HA2 GLY 29 3.907 5.349 4.019 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 -8.663 1.824 -3.155 2 H2 ARG 1 H2 ARG 1 -8.205 2.845 -1.887 3 H3 ARG 1 H3 ARG 1 -9.025 3.472 -3.222 4 HA ARG 1 HA ARG 1 -10.455 3.234 -1.275 5 HB2 ARG 1 HB3 ARG 1 -11.268 3.064 -3.668 6 HB3 ARG 1 HB2 ARG 1 -11.228 1.318 -3.478 7 HG2 ARG 1 HG3 ARG 1 -12.821 1.524 -1.602 8 HG3 ARG 1 HG2 ARG 1 -12.921 3.256 -1.923 9 HD2 ARG 1 HD3 ARG 1 -13.789 2.832 -4.135 10 HD3 ARG 1 HD2 ARG 1 -13.582 1.094 -3.914 11 HE ARG 1 HE ARG 1 -15.265 2.357 -1.943 12 HH11 ARG 1 HH12 ARG 1 -15.155 0.841 -5.086 13 HH12 ARG 1 HH11 ARG 1 -16.810 0.327 -5.041 14 HH21 ARG 1 HH21 ARG 1 -17.436 1.683 -1.866 15 HH22 ARG 1 HH22 ARG 1 -18.112 0.805 -3.202 16 H LYS 2 H LYS 2 -8.178 1.418 -0.799 17 HA LYS 2 HA LYS 2 -7.642 -0.319 0.552 18 HB2 LYS 2 HB3 LYS 2 -10.511 0.057 1.411 19 HB3 LYS 2 HB2 LYS 2 -9.377 -1.010 2.226 20 HG2 LYS 2 HG3 LYS 2 -8.065 0.762 2.983 21 HG3 LYS 2 HG2 LYS 2 -8.772 1.893 1.833 22 HD2 LYS 2 HD3 LYS 2 -9.608 2.306 4.086 23 HD3 LYS 2 HD2 LYS 2 -10.909 1.768 3.024 24 HE2 LYS 2 HE3 LYS 2 -10.717 -0.492 3.932 25 HE3 LYS 2 HE2 LYS 2 -9.402 0.035 4.979 26 HZ1 LYS 2 HZ1 LYS 2 -12.195 1.034 5.072 27 HZ2 LYS 2 HZ2 LYS 2 -10.933 1.550 6.072 28 HZ3 LYS 2 HZ3 LYS 2 -11.493 -0.040 6.172 29 H CYS 3 H CYS 3 -7.946 -1.241 -1.911 30 HA CYS 3 HA CYS 3 -9.769 -3.488 -1.936 31 HB2 CYS 3 HB3 CYS 3 -8.946 -3.922 -4.164 32 HB3 CYS 3 HB2 CYS 3 -9.265 -2.203 -4.002 33 H ASN 4 H ASN 4 -8.071 -3.612 0.223 34 HA ASN 4 HA ASN 4 -6.803 -5.059 1.398 35 HB2 ASN 4 HB3 ASN 4 -7.201 -6.797 -1.035 36 HB3 ASN 4 HB2 ASN 4 -6.349 -7.338 0.405 37 HD21 ASN 4 HD22 ASN 4 -8.878 -8.182 -0.912 38 HD22 ASN 4 HD21 ASN 4 -10.067 -8.144 0.345 39 H PHE 5 H PHE 5 -5.291 -6.592 -1.234 40 HA PHE 5 HA PHE 5 -2.742 -5.530 -0.420 41 HB2 PHE 5 HB3 PHE 5 -1.922 -7.145 -2.232 42 HB3 PHE 5 HB2 PHE 5 -2.722 -7.847 -0.833 43 HD1 PHE 5 HD1 PHE 5 -4.956 -8.813 -1.034 44 HD2 PHE 5 HD2 PHE 5 -2.924 -7.225 -4.412 45 HE1 PHE 5 HE1 PHE 5 -6.535 -9.969 -2.518 46 HE2 PHE 5 HE2 PHE 5 -4.499 -8.381 -5.904 47 HZ PHE 5 HZ PHE 5 -6.333 -9.747 -4.935 48 H LEU 6 H LEU 6 -1.225 -4.528 -1.847 49 HA LEU 6 HA LEU 6 -0.699 -2.699 -3.059 50 HB2 LEU 6 HB3 LEU 6 -2.489 -4.079 -5.064 51 HB3 LEU 6 HB2 LEU 6 -1.438 -2.730 -5.439 52 HG LEU 6 HG LEU 6 -0.236 -4.565 -6.193 53 HD11 LEU 6 HD11 LEU 6 0.749 -4.193 -3.375 54 HD12 LEU 6 HD12 LEU 6 1.137 -3.158 -4.749 55 HD13 LEU 6 HD13 LEU 6 1.670 -4.838 -4.734 56 HD21 LEU 6 HD21 LEU 6 -1.582 -6.344 -5.370 57 HD22 LEU 6 HD22 LEU 6 -1.095 -6.016 -3.708 58 HD23 LEU 6 HD23 LEU 6 0.080 -6.637 -4.865 59 H CYS 7 H CYS 7 -2.643 -2.203 -1.219 60 HA CYS 7 HA CYS 7 -4.065 0.018 -2.370 61 HB2 CYS 7 HB3 CYS 7 -5.407 -2.523 -1.944 62 HB3 CYS 7 HB2 CYS 7 -6.160 -1.218 -1.036 63 H LYS 8 H LYS 8 -3.696 -2.085 0.466 64 HA LYS 8 HA LYS 8 -2.998 0.239 2.038 65 HB2 LYS 8 HB3 LYS 8 -5.449 0.145 2.324 66 HB3 LYS 8 HB2 LYS 8 -5.315 -1.521 2.875 67 HG2 LYS 8 HG3 LYS 8 -4.097 -0.837 4.829 68 HG3 LYS 8 HG2 LYS 8 -4.029 0.827 4.252 69 HD2 LYS 8 HD3 LYS 8 -5.733 0.640 5.941 70 HD3 LYS 8 HD2 LYS 8 -6.496 0.931 4.381 71 HE2 LYS 8 HE3 LYS 8 -7.702 -0.756 5.658 72 HE3 LYS 8 HE2 LYS 8 -7.024 -1.436 4.182 73 HZ1 LYS 8 HZ1 LYS 8 -5.913 -1.718 6.925 74 HZ2 LYS 8 HZ2 LYS 8 -5.188 -2.326 5.525 75 HZ3 LYS 8 HZ3 LYS 8 -6.682 -2.927 6.031 76 H LEU 9 H LEU 9 -3.444 -3.188 1.735 77 HA LEU 9 HA LEU 9 -1.921 -3.907 4.048 78 HB2 LEU 9 HB3 LEU 9 -3.088 -5.404 1.735 79 HB3 LEU 9 HB2 LEU 9 -1.904 -6.190 2.761 80 HG LEU 9 HG LEU 9 -3.376 -5.794 4.720 81 HD11 LEU 9 HD11 LEU 9 -5.722 -5.164 4.317 82 HD12 LEU 9 HD12 LEU 9 -5.311 -4.779 2.646 83 HD13 LEU 9 HD13 LEU 9 -4.596 -3.853 3.966 84 HD21 LEU 9 HD21 LEU 9 -3.431 -7.912 3.520 85 HD22 LEU 9 HD22 LEU 9 -4.660 -7.271 2.428 86 HD23 LEU 9 HD23 LEU 9 -5.027 -7.490 4.139 87 H LYS 10 H LYS 10 -1.265 -4.844 0.684 88 HA LYS 10 HA LYS 10 1.540 -4.122 1.105 89 HB2 LYS 10 HB3 LYS 10 0.189 -5.611 -1.152 90 HB3 LYS 10 HB2 LYS 10 1.894 -5.183 -1.140 91 HG2 LYS 10 HG3 LYS 10 2.147 -6.501 0.946 92 HG3 LYS 10 HG2 LYS 10 0.475 -7.010 0.762 93 HD2 LYS 10 HD3 LYS 10 2.699 -7.511 -1.210 94 HD3 LYS 10 HD2 LYS 10 2.028 -8.700 -0.097 95 HE2 LYS 10 HE3 LYS 10 -0.150 -8.491 -1.195 96 HE3 LYS 10 HE2 LYS 10 0.523 -7.300 -2.304 97 HZ1 LYS 10 HZ1 LYS 10 1.993 -8.957 -3.192 98 HZ2 LYS 10 HZ2 LYS 10 0.405 -9.537 -3.260 99 HZ3 LYS 10 HZ3 LYS 10 1.462 -10.102 -2.069 100 H GLU 11 H GLU 11 2.519 -3.150 -1.017 101 HA GLU 11 HA GLU 11 0.710 -1.185 -2.144 102 HB2 GLU 11 HB3 GLU 11 1.923 0.728 -1.508 103 HB3 GLU 11 HB2 GLU 11 1.680 -0.214 -0.049 104 HG2 GLU 11 HG3 GLU 11 3.837 0.294 0.242 105 HG3 GLU 11 HG2 GLU 11 4.068 -1.149 -0.735 106 H LYS 12 H LYS 12 2.188 0.353 -3.607 107 HA LYS 12 HA LYS 12 4.014 -1.241 -5.168 108 HB2 LYS 12 HB3 LYS 12 2.382 -0.684 -7.212 109 HB3 LYS 12 HB2 LYS 12 2.265 -2.174 -6.286 110 HG2 LYS 12 HG3 LYS 12 0.069 -1.246 -6.652 111 HG3 LYS 12 HG2 LYS 12 0.470 -1.208 -4.939 112 HD2 LYS 12 HD3 LYS 12 -0.567 0.847 -5.401 113 HD3 LYS 12 HD2 LYS 12 1.155 1.209 -5.293 114 HE2 LYS 12 HE3 LYS 12 0.266 2.383 -7.176 115 HE3 LYS 12 HE2 LYS 12 1.254 1.060 -7.787 116 HZ1 LYS 12 HZ1 LYS 12 -1.696 0.912 -7.505 117 HZ2 LYS 12 HZ2 LYS 12 -0.689 -0.193 -8.292 118 HZ3 LYS 12 HZ3 LYS 12 -0.914 1.353 -8.937 119 H LEU 13 H LEU 13 4.775 0.931 -3.950 120 HA LEU 13 HA LEU 13 5.846 2.916 -4.237 121 HB2 LEU 13 HB3 LEU 13 6.195 1.747 -6.605 122 HB3 LEU 13 HB2 LEU 13 5.159 3.052 -7.139 123 HG LEU 13 HG LEU 13 7.769 3.447 -5.671 124 HD11 LEU 13 HD11 LEU 13 8.671 4.116 -7.843 125 HD12 LEU 13 HD12 LEU 13 7.150 3.661 -8.612 126 HD13 LEU 13 HD13 LEU 13 8.152 2.430 -7.844 127 HD21 LEU 13 HD21 LEU 13 6.204 5.300 -5.394 128 HD22 LEU 13 HD22 LEU 13 6.001 5.396 -7.142 129 HD23 LEU 13 HD23 LEU 13 7.565 5.764 -6.416 130 H ARG 14 H ARG 14 3.758 3.452 -3.012 131 HA ARG 14 HA ARG 14 2.241 5.422 -4.595 132 HB2 ARG 14 HB3 ARG 14 1.366 3.491 -2.535 133 HB3 ARG 14 HB2 ARG 14 0.580 5.060 -2.554 134 HG2 ARG 14 HG3 ARG 14 0.774 3.232 -4.933 135 HG3 ARG 14 HG2 ARG 14 -0.607 3.317 -3.838 136 HD2 ARG 14 HD3 ARG 14 -0.808 5.738 -4.390 137 HD3 ARG 14 HD2 ARG 14 0.452 5.518 -5.604 138 HE ARG 14 HE ARG 14 -1.310 3.651 -6.328 139 HH11 ARG 14 HH11 ARG 14 -1.762 7.020 -5.509 140 HH12 ARG 14 HH12 ARG 14 -3.162 7.203 -6.514 141 HH21 ARG 14 HH22 ARG 14 -3.148 3.883 -7.646 142 HH22 ARG 14 HH21 ARG 14 -3.947 5.423 -7.737 143 H THR 15 H THR 15 1.918 5.236 -1.105 144 HA THR 15 HA THR 15 3.641 7.251 -0.405 145 HB THR 15 HB THR 15 2.491 8.623 -2.029 146 HG1 THR 15 HG1 THR 15 2.188 10.406 -0.664 147 HG21 THR 15 HG21 THR 15 0.035 8.256 -0.321 148 HG22 THR 15 HG22 THR 15 0.263 7.678 -1.972 149 HG23 THR 15 HG23 THR 15 0.193 9.411 -1.645 150 H VAL 16 H VAL 16 0.172 6.459 0.270 151 HA VAL 16 HA VAL 16 0.879 6.576 3.113 152 HB VAL 16 HB VAL 16 -1.435 8.125 1.944 153 HG11 VAL 16 HG11 VAL 16 -1.833 7.074 4.173 154 HG12 VAL 16 HG12 VAL 16 -1.916 8.837 4.176 155 HG13 VAL 16 HG13 VAL 16 -0.482 8.022 4.802 156 HG21 VAL 16 HG21 VAL 16 0.688 9.244 1.524 157 HG22 VAL 16 HG22 VAL 16 1.122 9.092 3.227 158 HG23 VAL 16 HG23 VAL 16 -0.235 10.114 2.750 159 H ILE 17 H ILE 17 -2.172 6.283 1.212 160 HA ILE 17 HA ILE 17 -3.227 4.496 3.167 161 HB ILE 17 HB ILE 17 -4.873 5.745 2.046 162 HG12 ILE 17 HG13 ILE 17 -6.303 4.047 0.946 163 HG13 ILE 17 HG12 ILE 17 -4.932 2.953 0.883 164 HG21 ILE 17 HG21 ILE 17 -5.207 5.761 -0.373 165 HG22 ILE 17 HG22 ILE 17 -3.785 4.739 -0.573 166 HG23 ILE 17 HG23 ILE 17 -3.614 6.371 0.071 167 HD11 ILE 17 HD11 ILE 17 -4.877 3.230 3.440 168 HD12 ILE 17 HD12 ILE 17 -6.132 2.221 2.715 169 HD13 ILE 17 HD13 ILE 17 -6.513 3.862 3.248 170 H THR 18 H THR 18 -2.059 4.049 -0.137 171 HA THR 18 HA THR 18 -2.333 1.257 -0.203 172 HB THR 18 HB THR 18 -0.170 2.751 -1.657 173 HG1 THR 18 HG1 THR 18 -2.893 2.620 -2.493 174 HG21 THR 18 HG21 THR 18 -2.008 0.524 -2.533 175 HG22 THR 18 HG22 THR 18 -0.386 0.289 -1.889 176 HG23 THR 18 HG23 THR 18 -0.611 1.155 -3.405 177 H SER 19 H SER 19 0.512 3.318 0.392 178 HA SER 19 HA SER 19 1.910 1.080 1.599 179 HB2 SER 19 HB3 SER 19 3.102 2.697 0.142 180 HB3 SER 19 HB2 SER 19 2.764 3.972 1.318 181 HG SER 19 HG SER 19 4.414 1.674 1.601 182 H HIS 20 H HIS 20 -0.227 1.332 3.048 183 HA HIS 20 HA HIS 20 0.276 3.042 5.351 184 HB2 HIS 20 HB3 HIS 20 -2.042 2.740 4.389 185 HB3 HIS 20 HB2 HIS 20 -1.985 1.071 4.939 186 HD1 HIS 20 HD1 HIS 20 -3.045 4.351 5.980 187 HD2 HIS 20 HD2 HIS 20 -1.639 0.937 7.893 188 HE1 HIS 20 HE1 HIS 20 -3.761 4.575 8.378 189 HE2 HIS 20 HE2 HIS 20 -2.730 2.599 9.548 190 H ILE 21 H ILE 21 -0.510 -0.405 4.859 191 HA ILE 21 HA ILE 21 1.108 -1.123 7.173 192 HB ILE 21 HB ILE 21 -0.380 -2.907 5.230 193 HG12 ILE 21 HG13 ILE 21 -1.176 -2.001 8.007 194 HG13 ILE 21 HG12 ILE 21 -1.866 -1.384 6.510 195 HG21 ILE 21 HG21 ILE 21 1.440 -4.064 6.356 196 HG22 ILE 21 HG22 ILE 21 -0.119 -4.636 6.949 197 HG23 ILE 21 HG23 ILE 21 0.839 -3.518 7.921 198 HD11 ILE 21 HD11 ILE 21 -2.737 -3.598 5.993 199 HD12 ILE 21 HD12 ILE 21 -3.319 -3.029 7.556 200 HD13 ILE 21 HD13 ILE 21 -2.029 -4.229 7.481 201 H ASP 22 H ASP 22 0.996 -1.429 3.705 202 HA ASP 22 HA ASP 22 2.569 -1.585 2.098 203 HB2 ASP 22 HB3 ASP 22 3.924 -0.118 3.725 204 HB3 ASP 22 HB2 ASP 22 4.729 -1.585 4.207 205 H LYS 23 H LYS 23 4.199 -3.087 1.242 206 HA LYS 23 HA LYS 23 3.683 -5.753 2.096 207 HB2 LYS 23 HB3 LYS 23 5.550 -6.249 0.360 208 HB3 LYS 23 HB2 LYS 23 3.999 -5.648 -0.195 209 HG2 LYS 23 HG3 LYS 23 5.509 -4.417 -1.435 210 HG3 LYS 23 HG2 LYS 23 5.125 -3.323 -0.109 211 HD2 LYS 23 HD3 LYS 23 7.172 -4.115 1.056 212 HD3 LYS 23 HD2 LYS 23 7.571 -5.063 -0.377 213 HE2 LYS 23 HE3 LYS 23 7.573 -2.972 -1.700 214 HE3 LYS 23 HE2 LYS 23 7.297 -2.058 -0.213 215 HZ1 LYS 23 HZ1 LYS 23 9.386 -2.940 0.649 216 HZ2 LYS 23 HZ2 LYS 23 9.640 -2.105 -0.799 217 HZ3 LYS 23 HZ3 LYS 23 9.642 -3.793 -0.788 218 H VAL 24 H VAL 24 6.273 -3.408 2.585 219 HA VAL 24 HA VAL 24 7.391 -4.962 4.747 220 HB VAL 24 HB VAL 24 9.369 -4.462 2.515 221 HG11 VAL 24 HG11 VAL 24 10.292 -4.684 4.744 222 HG12 VAL 24 HG12 VAL 24 10.739 -6.077 3.759 223 HG13 VAL 24 HG13 VAL 24 9.457 -6.222 4.962 224 HG21 VAL 24 HG21 VAL 24 9.352 -6.851 1.979 225 HG22 VAL 24 HG22 VAL 24 7.810 -6.085 1.600 226 HG23 VAL 24 HG23 VAL 24 7.969 -7.077 3.049 227 H LEU 25 H LEU 25 6.335 -2.286 3.947 228 HA LEU 25 HA LEU 25 6.569 -0.138 4.604 229 HB2 LEU 25 HB3 LEU 25 7.323 -1.075 6.735 230 HB3 LEU 25 HB2 LEU 25 8.964 -1.159 6.129 231 HG LEU 25 HG LEU 25 8.997 1.315 5.952 232 HD11 LEU 25 HD11 LEU 25 6.626 1.722 5.677 233 HD12 LEU 25 HD12 LEU 25 7.237 2.598 7.079 234 HD13 LEU 25 HD13 LEU 25 6.311 1.113 7.300 235 HD21 LEU 25 HD21 LEU 25 8.301 0.222 8.675 236 HD22 LEU 25 HD22 LEU 25 9.135 1.743 8.358 237 HD23 LEU 25 HD23 LEU 25 9.897 0.213 7.926 238 H ARG 26 H ARG 26 7.044 0.179 2.278 239 HA ARG 26 HA ARG 26 9.504 1.725 2.110 240 HB2 ARG 26 HB3 ARG 26 10.277 -0.192 1.042 241 HB3 ARG 26 HB2 ARG 26 8.705 -0.589 0.383 242 HG2 ARG 26 HG3 ARG 26 9.796 1.869 -0.719 243 HG3 ARG 26 HG2 ARG 26 10.827 0.458 -0.994 244 HD2 ARG 26 HD3 ARG 26 8.906 -0.771 -1.882 245 HD3 ARG 26 HD2 ARG 26 7.877 0.639 -1.605 246 HE ARG 26 HE ARG 26 10.076 1.362 -3.230 247 HH11 ARG 26 HH11 ARG 26 7.005 -0.309 -3.356 248 HH12 ARG 26 HH12 ARG 26 6.908 -0.266 -5.088 249 HH21 ARG 26 HH22 ARG 26 9.927 1.449 -5.518 250 HH22 ARG 26 HH21 ARG 26 8.556 0.742 -6.315 251 HA PRO 27 HA PRO 27 5.462 3.697 0.809 252 HB2 PRO 27 HB2 PRO 27 6.506 5.903 2.497 253 HB3 PRO 27 HB3 PRO 27 4.890 5.171 2.467 254 HG2 PRO 27 HG3 PRO 27 6.547 4.675 4.483 255 HG3 PRO 27 HG2 PRO 27 5.533 3.380 3.797 256 HD2 PRO 27 HD3 PRO 27 8.446 3.975 3.294 257 HD3 PRO 27 HD2 PRO 27 7.665 2.414 3.634 258 H GLN 28 H GLN 28 5.317 4.850 -0.971 259 HA GLN 28 HA GLN 28 5.621 6.457 -2.541 260 HB2 GLN 28 HB3 GLN 28 7.675 7.582 -0.630 261 HB3 GLN 28 HB2 GLN 28 7.027 8.409 -2.042 262 HG2 GLN 28 HG3 GLN 28 4.892 8.589 -1.092 263 HG3 GLN 28 HG2 GLN 28 5.264 7.410 0.168 264 HE21 GLN 28 HE22 GLN 28 4.225 10.108 0.403 265 HE22 GLN 28 HE21 GLN 28 5.351 10.974 1.393 266 H GLY 29 H GLY 29 7.506 4.021 -2.014 267 HA2 GLY 29 HA3 GLY 29 8.644 3.006 -3.839 268 HA3 GLY 29 HA2 GLY 29 9.089 4.605 -4.412 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 -11.175 0.774 4.173 2 H2 ARG 1 H2 ARG 1 -12.580 1.319 4.935 3 H3 ARG 1 H3 ARG 1 -11.632 2.396 4.043 4 HA ARG 1 HA ARG 1 -13.103 0.077 2.941 5 HB2 ARG 1 HB3 ARG 1 -13.661 3.047 2.838 6 HB3 ARG 1 HB2 ARG 1 -14.451 1.873 1.797 7 HG2 ARG 1 HG3 ARG 1 -15.478 0.805 3.676 8 HG3 ARG 1 HG2 ARG 1 -14.559 1.806 4.801 9 HD2 ARG 1 HD3 ARG 1 -16.837 2.624 4.586 10 HD3 ARG 1 HD2 ARG 1 -15.688 3.798 3.954 11 HE ARG 1 HE ARG 1 -16.768 2.051 1.940 12 HH11 ARG 1 HH12 ARG 1 -17.253 5.017 3.739 13 HH12 ARG 1 HH11 ARG 1 -18.322 5.709 2.561 14 HH21 ARG 1 HH21 ARG 1 -18.197 2.963 0.389 15 HH22 ARG 1 HH22 ARG 1 -18.866 4.538 0.668 16 H LYS 2 H LYS 2 -11.211 -0.609 1.891 17 HA LYS 2 HA LYS 2 -10.612 0.893 -0.532 18 HB2 LYS 2 HB3 LYS 2 -8.543 0.016 1.492 19 HB3 LYS 2 HB2 LYS 2 -8.142 0.390 -0.179 20 HG2 LYS 2 HG3 LYS 2 -9.517 2.340 1.651 21 HG3 LYS 2 HG2 LYS 2 -7.762 2.237 1.485 22 HD2 LYS 2 HD3 LYS 2 -7.851 2.855 -0.801 23 HD3 LYS 2 HD2 LYS 2 -9.597 2.626 -0.870 24 HE2 LYS 2 HE3 LYS 2 -8.275 4.692 0.871 25 HE3 LYS 2 HE2 LYS 2 -8.803 5.018 -0.778 26 HZ1 LYS 2 HZ1 LYS 2 -11.049 4.487 -0.150 27 HZ2 LYS 2 HZ2 LYS 2 -10.448 5.676 0.891 28 HZ3 LYS 2 HZ3 LYS 2 -10.568 4.073 1.414 29 H CYS 3 H CYS 3 -8.799 -0.662 -1.715 30 HA CYS 3 HA CYS 3 -10.285 -2.955 -2.430 31 HB2 CYS 3 HB3 CYS 3 -7.421 -2.989 -3.110 32 HB3 CYS 3 HB2 CYS 3 -8.828 -3.093 -4.161 33 H ASN 4 H ASN 4 -6.898 -3.140 -1.524 34 HA ASN 4 HA ASN 4 -6.992 -4.562 0.820 35 HB2 ASN 4 HB3 ASN 4 -6.470 -6.905 -0.048 36 HB3 ASN 4 HB2 ASN 4 -8.147 -6.398 -0.156 37 HD21 ASN 4 HD22 ASN 4 -8.483 -7.997 -1.736 38 HD22 ASN 4 HD21 ASN 4 -7.954 -7.778 -3.369 39 H PHE 5 H PHE 5 -4.994 -6.474 -0.962 40 HA PHE 5 HA PHE 5 -2.629 -5.049 -0.311 41 HB2 PHE 5 HB3 PHE 5 -1.586 -6.799 -1.879 42 HB3 PHE 5 HB2 PHE 5 -2.357 -7.371 -0.409 43 HD1 PHE 5 HD2 PHE 5 -2.748 -7.068 -4.066 44 HD2 PHE 5 HD1 PHE 5 -4.260 -8.782 -0.480 45 HE1 PHE 5 HE2 PHE 5 -4.183 -8.562 -5.389 46 HE2 PHE 5 HE1 PHE 5 -5.697 -10.278 -1.798 47 HZ PHE 5 HZ PHE 5 -5.663 -10.167 -4.254 48 H LEU 6 H LEU 6 -1.063 -4.193 -1.806 49 HA LEU 6 HA LEU 6 -0.437 -2.741 -3.429 50 HB2 LEU 6 HB3 LEU 6 -2.340 -4.480 -4.976 51 HB3 LEU 6 HB2 LEU 6 -1.588 -3.089 -5.727 52 HG LEU 6 HG LEU 6 -0.360 -5.066 -6.326 53 HD11 LEU 6 HD11 LEU 6 1.205 -3.518 -4.272 54 HD12 LEU 6 HD12 LEU 6 0.917 -3.009 -5.937 55 HD13 LEU 6 HD13 LEU 6 1.861 -4.461 -5.608 56 HD21 LEU 6 HD21 LEU 6 -0.953 -6.556 -4.543 57 HD22 LEU 6 HD22 LEU 6 -0.100 -5.557 -3.369 58 HD23 LEU 6 HD23 LEU 6 0.803 -6.421 -4.614 59 H CYS 7 H CYS 7 -2.568 -2.033 -1.607 60 HA CYS 7 HA CYS 7 -3.762 0.168 -3.043 61 HB2 CYS 7 HB3 CYS 7 -5.299 -1.635 -3.650 62 HB3 CYS 7 HB2 CYS 7 -5.515 -2.048 -1.956 63 H LYS 8 H LYS 8 -3.274 -1.648 -0.112 64 HA LYS 8 HA LYS 8 -3.077 0.671 1.509 65 HB2 LYS 8 HB3 LYS 8 -5.523 0.613 1.360 66 HB3 LYS 8 HB2 LYS 8 -5.528 -1.066 1.884 67 HG2 LYS 8 HG3 LYS 8 -4.453 -0.287 4.019 68 HG3 LYS 8 HG2 LYS 8 -4.779 1.362 3.484 69 HD2 LYS 8 HD3 LYS 8 -7.180 0.782 3.306 70 HD3 LYS 8 HD2 LYS 8 -6.812 -0.815 3.960 71 HE2 LYS 8 HE3 LYS 8 -5.869 0.315 5.975 72 HE3 LYS 8 HE2 LYS 8 -6.452 1.844 5.321 73 HZ1 LYS 8 HZ1 LYS 8 -8.704 0.954 5.370 74 HZ2 LYS 8 HZ2 LYS 8 -8.010 0.939 6.909 75 HZ3 LYS 8 HZ3 LYS 8 -8.135 -0.495 6.027 76 H LEU 9 H LEU 9 -3.754 -2.739 1.367 77 HA LEU 9 HA LEU 9 -2.619 -3.398 3.920 78 HB2 LEU 9 HB3 LEU 9 -3.742 -4.923 1.601 79 HB3 LEU 9 HB2 LEU 9 -2.862 -5.774 2.860 80 HG LEU 9 HG LEU 9 -4.481 -4.992 4.537 81 HD11 LEU 9 HD11 LEU 9 -6.589 -3.949 3.784 82 HD12 LEU 9 HD12 LEU 9 -5.877 -3.730 2.186 83 HD13 LEU 9 HD13 LEU 9 -5.185 -2.905 3.581 84 HD21 LEU 9 HD21 LEU 9 -6.381 -6.342 3.780 85 HD22 LEU 9 HD22 LEU 9 -4.838 -7.131 3.464 86 HD23 LEU 9 HD23 LEU 9 -5.714 -6.350 2.148 87 H LYS 10 H LYS 10 -1.759 -3.843 0.552 88 HA LYS 10 HA LYS 10 1.052 -3.947 1.348 89 HB2 LYS 10 HB3 LYS 10 0.337 -6.160 0.580 90 HB3 LYS 10 HB2 LYS 10 -0.310 -5.463 -0.892 91 HG2 LYS 10 HG3 LYS 10 1.772 -5.145 -1.815 92 HG3 LYS 10 HG2 LYS 10 2.575 -5.123 -0.245 93 HD2 LYS 10 HD3 LYS 10 2.977 -7.190 -1.622 94 HD3 LYS 10 HD2 LYS 10 2.348 -7.480 -0.001 95 HE2 LYS 10 HE3 LYS 10 0.104 -7.754 -0.918 96 HE3 LYS 10 HE2 LYS 10 0.715 -7.438 -2.537 97 HZ1 LYS 10 HZ1 LYS 10 1.349 -9.751 -0.796 98 HZ2 LYS 10 HZ2 LYS 10 2.170 -9.416 -2.236 99 HZ3 LYS 10 HZ3 LYS 10 0.518 -9.769 -2.267 100 H GLU 11 H GLU 11 2.461 -3.030 -0.450 101 HA GLU 11 HA GLU 11 0.972 -0.934 -1.869 102 HB2 GLU 11 HB3 GLU 11 1.955 -0.214 0.370 103 HB3 GLU 11 HB2 GLU 11 3.534 -0.454 -0.349 104 HG2 GLU 11 HG3 GLU 11 2.145 1.195 -2.131 105 HG3 GLU 11 HG2 GLU 11 1.771 1.801 -0.521 106 H LYS 12 H LYS 12 3.316 0.377 -2.832 107 HA LYS 12 HA LYS 12 4.998 -1.238 -4.345 108 HB2 LYS 12 HB3 LYS 12 3.919 -1.331 -6.492 109 HB3 LYS 12 HB2 LYS 12 2.807 -2.013 -5.327 110 HG2 LYS 12 HG3 LYS 12 2.638 0.818 -6.242 111 HG3 LYS 12 HG2 LYS 12 1.882 -0.509 -7.115 112 HD2 LYS 12 HD3 LYS 12 0.681 -1.089 -4.981 113 HD3 LYS 12 HD2 LYS 12 1.289 0.443 -4.314 114 HE2 LYS 12 HE3 LYS 12 -0.822 0.968 -5.207 115 HE3 LYS 12 HE2 LYS 12 0.377 1.512 -6.381 116 HZ1 LYS 12 HZ1 LYS 12 -1.139 -1.024 -6.585 117 HZ2 LYS 12 HZ2 LYS 12 -0.033 -0.426 -7.715 118 HZ3 LYS 12 HZ3 LYS 12 -1.490 0.386 -7.446 119 H LEU 13 H LEU 13 4.989 1.150 -2.902 120 HA LEU 13 HA LEU 13 5.463 3.306 -2.817 121 HB2 LEU 13 HB3 LEU 13 6.987 4.297 -4.344 122 HB3 LEU 13 HB2 LEU 13 7.451 2.632 -4.096 123 HG LEU 13 HG LEU 13 6.067 2.349 -6.381 124 HD11 LEU 13 HD11 LEU 13 7.231 5.126 -6.529 125 HD12 LEU 13 HD12 LEU 13 5.516 4.716 -6.571 126 HD13 LEU 13 HD13 LEU 13 6.577 4.203 -7.882 127 HD21 LEU 13 HD21 LEU 13 8.356 1.621 -5.941 128 HD22 LEU 13 HD22 LEU 13 8.926 3.272 -6.176 129 HD23 LEU 13 HD23 LEU 13 8.211 2.386 -7.522 130 H ARG 14 H ARG 14 3.844 4.602 -2.601 131 HA ARG 14 HA ARG 14 2.649 5.716 -5.013 132 HB2 ARG 14 HB3 ARG 14 1.104 3.941 -4.356 133 HB3 ARG 14 HB2 ARG 14 0.987 4.625 -2.739 134 HG2 ARG 14 HG3 ARG 14 -0.957 5.245 -4.016 135 HG3 ARG 14 HG2 ARG 14 0.020 6.679 -3.704 136 HD2 ARG 14 HD3 ARG 14 -0.592 6.878 -5.951 137 HD3 ARG 14 HD2 ARG 14 1.051 6.251 -6.007 138 HE ARG 14 HE ARG 14 -1.304 4.503 -6.286 139 HH11 ARG 14 HH11 ARG 14 1.855 5.574 -7.386 140 HH12 ARG 14 HH12 ARG 14 1.908 4.445 -8.698 141 HH21 ARG 14 HH22 ARG 14 -1.225 3.037 -8.014 142 HH22 ARG 14 HH21 ARG 14 0.166 2.990 -9.049 143 H THR 15 H THR 15 1.663 6.088 -1.573 144 HA THR 15 HA THR 15 2.714 8.753 -1.450 145 HB THR 15 HB THR 15 -0.264 8.456 -1.864 146 HG1 THR 15 HG1 THR 15 1.807 8.962 -3.552 147 HG21 THR 15 HG21 THR 15 1.392 10.901 -1.248 148 HG22 THR 15 HG22 THR 15 0.183 10.158 -0.204 149 HG23 THR 15 HG23 THR 15 -0.308 10.919 -1.714 150 H VAL 16 H VAL 16 -0.028 6.822 -0.070 151 HA VAL 16 HA VAL 16 0.779 7.390 2.617 152 HB VAL 16 HB VAL 16 -1.500 8.995 1.465 153 HG11 VAL 16 HG11 VAL 16 -2.386 7.853 3.431 154 HG12 VAL 16 HG12 VAL 16 -2.158 9.569 3.762 155 HG13 VAL 16 HG13 VAL 16 -1.002 8.392 4.382 156 HG21 VAL 16 HG21 VAL 16 0.790 9.979 1.578 157 HG22 VAL 16 HG22 VAL 16 0.736 9.785 3.328 158 HG23 VAL 16 HG23 VAL 16 -0.410 10.857 2.523 159 H ILE 17 H ILE 17 -2.381 6.849 0.940 160 HA ILE 17 HA ILE 17 -3.277 5.143 3.038 161 HB ILE 17 HB ILE 17 -5.033 6.205 1.933 162 HG12 ILE 17 HG13 ILE 17 -6.360 4.375 0.850 163 HG13 ILE 17 HG12 ILE 17 -4.922 3.367 0.896 164 HG21 ILE 17 HG21 ILE 17 -3.932 5.222 -0.688 165 HG22 ILE 17 HG22 ILE 17 -3.898 6.878 -0.084 166 HG23 ILE 17 HG23 ILE 17 -5.436 6.118 -0.482 167 HD11 ILE 17 HD11 ILE 17 -4.932 3.726 3.404 168 HD12 ILE 17 HD12 ILE 17 -6.214 2.712 2.732 169 HD13 ILE 17 HD13 ILE 17 -6.554 4.384 3.193 170 H THR 18 H THR 18 -2.415 4.401 -0.347 171 HA THR 18 HA THR 18 -2.328 1.607 -0.025 172 HB THR 18 HB THR 18 -0.625 3.301 -1.874 173 HG1 THR 18 HG1 THR 18 -3.343 2.655 -1.858 174 HG21 THR 18 HG21 THR 18 -1.629 0.465 -2.163 175 HG22 THR 18 HG22 THR 18 0.016 0.921 -1.722 176 HG23 THR 18 HG23 THR 18 -0.619 1.342 -3.310 177 H SER 19 H SER 19 -0.099 4.173 0.398 178 HA SER 19 HA SER 19 2.198 2.700 1.163 179 HB2 SER 19 HB3 SER 19 1.426 5.601 1.491 180 HB3 SER 19 HB2 SER 19 3.053 4.966 1.603 181 HG SER 19 HG SER 19 2.806 4.215 -0.572 182 H HIS 20 H HIS 20 -0.309 2.248 2.798 183 HA HIS 20 HA HIS 20 0.308 3.382 5.392 184 HB2 HIS 20 HB3 HIS 20 -2.042 3.065 4.765 185 HB3 HIS 20 HB2 HIS 20 -1.771 1.340 4.552 186 HD1 HIS 20 HD1 HIS 20 -2.750 0.082 6.430 187 HD2 HIS 20 HD2 HIS 20 -1.179 3.727 7.673 188 HE1 HIS 20 HE1 HIS 20 -3.146 0.180 8.912 189 HE2 HIS 20 HE2 HIS 20 -2.285 2.439 9.625 190 H ILE 21 H ILE 21 -0.116 0.089 4.171 191 HA ILE 21 HA ILE 21 2.384 -0.673 5.475 192 HB ILE 21 HB ILE 21 0.769 -1.511 7.027 193 HG12 ILE 21 HG13 ILE 21 1.014 -3.985 6.796 194 HG13 ILE 21 HG12 ILE 21 1.659 -3.730 5.179 195 HG21 ILE 21 HG21 ILE 21 -1.107 -2.947 6.394 196 HG22 ILE 21 HG22 ILE 21 -0.710 -2.694 4.693 197 HG23 ILE 21 HG23 ILE 21 -1.228 -1.333 5.689 198 HD11 ILE 21 HD11 ILE 21 3.430 -4.098 6.790 199 HD12 ILE 21 HD12 ILE 21 2.868 -2.724 7.742 200 HD13 ILE 21 HD13 ILE 21 3.517 -2.470 6.123 201 H ASP 22 H ASP 22 3.579 -2.129 4.238 202 HA ASP 22 HA ASP 22 2.432 -2.588 1.567 203 HB2 ASP 22 HB3 ASP 22 4.516 -2.023 0.563 204 HB3 ASP 22 HB2 ASP 22 4.217 -0.783 1.764 205 H LYS 23 H LYS 23 4.697 -3.984 0.598 206 HA LYS 23 HA LYS 23 4.282 -6.589 1.693 207 HB2 LYS 23 HB3 LYS 23 6.015 -7.296 0.032 208 HB3 LYS 23 HB2 LYS 23 4.647 -6.454 -0.672 209 HG2 LYS 23 HG3 LYS 23 7.189 -4.998 -0.026 210 HG3 LYS 23 HG2 LYS 23 7.013 -5.915 -1.521 211 HD2 LYS 23 HD3 LYS 23 4.894 -4.551 -1.919 212 HD3 LYS 23 HD2 LYS 23 5.444 -3.513 -0.610 213 HE2 LYS 23 HE3 LYS 23 6.116 -2.557 -2.702 214 HE3 LYS 23 HE2 LYS 23 7.540 -3.118 -1.830 215 HZ1 LYS 23 HZ1 LYS 23 7.598 -3.691 -4.197 216 HZ2 LYS 23 HZ2 LYS 23 6.187 -4.604 -4.019 217 HZ3 LYS 23 HZ3 LYS 23 7.603 -5.073 -3.226 218 H VAL 24 H VAL 24 5.618 -4.259 3.172 219 HA VAL 24 HA VAL 24 7.114 -3.992 4.831 220 HB VAL 24 HB VAL 24 7.636 -6.966 4.721 221 HG11 VAL 24 HG11 VAL 24 7.892 -4.913 6.916 222 HG12 VAL 24 HG12 VAL 24 9.206 -5.774 6.112 223 HG13 VAL 24 HG13 VAL 24 8.078 -6.652 7.144 224 HG21 VAL 24 HG21 VAL 24 5.851 -7.181 6.403 225 HG22 VAL 24 HG22 VAL 24 5.236 -6.613 4.852 226 HG23 VAL 24 HG23 VAL 24 5.455 -5.479 6.183 227 H LEU 25 H LEU 25 7.900 -3.376 2.386 228 HA LEU 25 HA LEU 25 10.769 -4.031 2.448 229 HB2 LEU 25 HB3 LEU 25 9.564 -5.025 0.489 230 HB3 LEU 25 HB2 LEU 25 9.137 -3.402 -0.014 231 HG LEU 25 HG LEU 25 11.553 -2.879 -0.254 232 HD11 LEU 25 HD11 LEU 25 12.473 -4.475 1.311 233 HD12 LEU 25 HD12 LEU 25 13.150 -4.745 -0.295 234 HD13 LEU 25 HD13 LEU 25 11.892 -5.814 0.323 235 HD21 LEU 25 HD21 LEU 25 10.234 -3.564 -2.182 236 HD22 LEU 25 HD22 LEU 25 10.570 -5.258 -1.826 237 HD23 LEU 25 HD23 LEU 25 11.882 -4.179 -2.301 238 H ARG 26 H ARG 26 8.334 -1.675 1.325 239 HA ARG 26 HA ARG 26 9.320 0.477 2.763 240 HB2 ARG 26 HB3 ARG 26 10.615 1.795 1.300 241 HB3 ARG 26 HB2 ARG 26 11.297 0.186 1.193 242 HG2 ARG 26 HG3 ARG 26 9.557 1.570 -0.836 243 HG3 ARG 26 HG2 ARG 26 11.263 1.160 -0.987 244 HD2 ARG 26 HD3 ARG 26 10.659 -1.232 -0.888 245 HD3 ARG 26 HD2 ARG 26 8.955 -0.777 -0.815 246 HE ARG 26 HE ARG 26 10.701 -0.693 -3.134 247 HH11 ARG 26 HH11 ARG 26 7.665 0.350 -1.717 248 HH12 ARG 26 HH12 ARG 26 6.867 0.505 -3.249 249 HH21 ARG 26 HH22 ARG 26 9.641 -0.519 -5.146 250 HH22 ARG 26 HH21 ARG 26 7.984 -0.013 -5.205 251 HA PRO 27 HA PRO 27 5.582 1.976 0.754 252 HB2 PRO 27 HB2 PRO 27 4.375 2.908 2.964 253 HB3 PRO 27 HB3 PRO 27 4.364 1.182 2.556 254 HG2 PRO 27 HG3 PRO 27 5.878 2.617 4.651 255 HG3 PRO 27 HG2 PRO 27 5.358 0.927 4.589 256 HD2 PRO 27 HD3 PRO 27 7.945 2.000 3.962 257 HD3 PRO 27 HD2 PRO 27 7.413 0.314 3.850 258 H GLN 28 H GLN 28 4.897 4.140 0.366 259 HA GLN 28 HA GLN 28 6.981 6.100 0.765 260 HB2 GLN 28 HB3 GLN 28 4.319 6.258 -0.645 261 HB3 GLN 28 HB2 GLN 28 5.483 7.574 -0.591 262 HG2 GLN 28 HG3 GLN 28 6.033 4.854 -1.740 263 HG3 GLN 28 HG2 GLN 28 5.542 6.260 -2.680 264 HE21 GLN 28 HE22 GLN 28 7.407 6.301 -3.889 265 HE22 GLN 28 HE21 GLN 28 8.945 6.756 -3.236 266 H GLY 29 H GLY 29 4.778 5.106 2.863 267 HA2 GLY 29 HA3 GLY 29 4.715 7.662 4.225 268 HA3 GLY 29 HA2 GLY 29 3.142 7.024 3.761 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 -10.074 5.606 -1.074 2 H2 ARG 1 H2 ARG 1 -8.649 5.002 -0.403 3 H3 ARG 1 H3 ARG 1 -10.122 4.761 0.388 4 HA ARG 1 HA ARG 1 -10.908 3.354 -1.373 5 HB2 ARG 1 HB3 ARG 1 -8.158 3.764 -2.575 6 HB3 ARG 1 HB2 ARG 1 -9.412 2.705 -3.202 7 HG2 ARG 1 HG3 ARG 1 -9.594 5.705 -3.012 8 HG3 ARG 1 HG2 ARG 1 -9.234 4.785 -4.472 9 HD2 ARG 1 HD3 ARG 1 -11.767 4.541 -2.860 10 HD3 ARG 1 HD2 ARG 1 -11.596 5.511 -4.320 11 HE ARG 1 HE ARG 1 -10.790 2.955 -4.996 12 HH11 ARG 1 HH12 ARG 1 -13.701 4.456 -3.766 13 HH12 ARG 1 HH11 ARG 1 -14.769 3.366 -4.589 14 HH21 ARG 1 HH21 ARG 1 -12.198 1.482 -6.055 15 HH22 ARG 1 HH22 ARG 1 -13.915 1.667 -5.879 16 H LYS 2 H LYS 2 -10.891 1.318 -0.609 17 HA LYS 2 HA LYS 2 -8.404 0.361 0.654 18 HB2 LYS 2 HB3 LYS 2 -11.222 -0.391 1.460 19 HB3 LYS 2 HB2 LYS 2 -9.742 -0.985 2.189 20 HG2 LYS 2 HG3 LYS 2 -10.523 0.617 3.682 21 HG3 LYS 2 HG2 LYS 2 -9.250 1.443 2.786 22 HD2 LYS 2 HD3 LYS 2 -11.138 2.923 3.013 23 HD3 LYS 2 HD2 LYS 2 -11.000 2.436 1.325 24 HE2 LYS 2 HE3 LYS 2 -12.740 0.721 1.723 25 HE3 LYS 2 HE2 LYS 2 -12.914 1.321 3.371 26 HZ1 LYS 2 HZ1 LYS 2 -13.457 2.827 0.873 27 HZ2 LYS 2 HZ2 LYS 2 -13.528 3.488 2.428 28 HZ3 LYS 2 HZ3 LYS 2 -14.601 2.262 1.985 29 H CYS 3 H CYS 3 -7.954 -0.367 -1.539 30 HA CYS 3 HA CYS 3 -9.546 -2.477 -2.678 31 HB2 CYS 3 HB3 CYS 3 -6.807 -2.170 -3.676 32 HB3 CYS 3 HB2 CYS 3 -8.335 -2.078 -4.541 33 H ASN 4 H ASN 4 -8.411 -2.876 0.019 34 HA ASN 4 HA ASN 4 -7.385 -4.435 1.292 35 HB2 ASN 4 HB3 ASN 4 -7.765 -6.043 -1.233 36 HB3 ASN 4 HB2 ASN 4 -7.091 -6.735 0.237 37 HD21 ASN 4 HD22 ASN 4 -9.588 -7.254 -1.274 38 HD22 ASN 4 HD21 ASN 4 -10.854 -7.119 -0.105 39 H PHE 5 H PHE 5 -5.800 -6.100 -1.219 40 HA PHE 5 HA PHE 5 -3.242 -5.348 -0.130 41 HB2 PHE 5 HB3 PHE 5 -2.400 -7.026 -1.829 42 HB3 PHE 5 HB2 PHE 5 -3.492 -7.656 -0.604 43 HD1 PHE 5 HD2 PHE 5 -3.255 -6.638 -4.148 44 HD2 PHE 5 HD1 PHE 5 -5.572 -8.611 -1.174 45 HE1 PHE 5 HE2 PHE 5 -4.720 -7.549 -5.899 46 HE2 PHE 5 HE1 PHE 5 -7.039 -9.526 -2.921 47 HZ PHE 5 HZ PHE 5 -6.616 -8.994 -5.288 48 H LEU 6 H LEU 6 -1.492 -4.544 -1.363 49 HA LEU 6 HA LEU 6 -0.556 -2.892 -2.584 50 HB2 LEU 6 HB3 LEU 6 -2.326 -4.184 -4.646 51 HB3 LEU 6 HB2 LEU 6 -1.258 -2.856 -5.045 52 HG LEU 6 HG LEU 6 -0.142 -4.839 -5.691 53 HD11 LEU 6 HD11 LEU 6 1.012 -4.036 -3.030 54 HD12 LEU 6 HD12 LEU 6 1.254 -3.181 -4.552 55 HD13 LEU 6 HD13 LEU 6 1.863 -4.823 -4.358 56 HD21 LEU 6 HD21 LEU 6 -1.381 -6.508 -4.512 57 HD22 LEU 6 HD22 LEU 6 -0.787 -5.923 -2.958 58 HD23 LEU 6 HD23 LEU 6 0.322 -6.685 -4.097 59 H CYS 7 H CYS 7 -2.729 -2.124 -0.959 60 HA CYS 7 HA CYS 7 -3.446 0.340 -2.258 61 HB2 CYS 7 HB3 CYS 7 -5.154 -1.275 -3.090 62 HB3 CYS 7 HB2 CYS 7 -5.673 -1.521 -1.428 63 H LYS 8 H LYS 8 -3.941 -1.788 0.586 64 HA LYS 8 HA LYS 8 -3.141 0.482 2.230 65 HB2 LYS 8 HB3 LYS 8 -5.585 0.688 2.208 66 HB3 LYS 8 HB2 LYS 8 -5.745 -0.986 2.722 67 HG2 LYS 8 HG3 LYS 8 -4.620 -0.449 4.828 68 HG3 LYS 8 HG2 LYS 8 -4.470 1.231 4.315 69 HD2 LYS 8 HD3 LYS 8 -6.351 0.927 5.847 70 HD3 LYS 8 HD2 LYS 8 -6.899 1.438 4.253 71 HE2 LYS 8 HE3 LYS 8 -7.661 -0.734 3.715 72 HE3 LYS 8 HE2 LYS 8 -6.831 -1.444 5.096 73 HZ1 LYS 8 HZ1 LYS 8 -8.334 -0.303 6.570 74 HZ2 LYS 8 HZ2 LYS 8 -9.222 -1.217 5.462 75 HZ3 LYS 8 HZ3 LYS 8 -9.101 0.459 5.274 76 H LEU 9 H LEU 9 -3.991 -2.908 2.002 77 HA LEU 9 HA LEU 9 -2.826 -3.675 4.505 78 HB2 LEU 9 HB3 LEU 9 -3.667 -5.246 2.074 79 HB3 LEU 9 HB2 LEU 9 -3.121 -5.981 3.576 80 HG LEU 9 HG LEU 9 -5.524 -4.165 3.390 81 HD11 LEU 9 HD11 LEU 9 -5.396 -7.174 3.366 82 HD12 LEU 9 HD12 LEU 9 -5.891 -6.130 2.029 83 HD13 LEU 9 HD13 LEU 9 -6.864 -6.206 3.500 84 HD21 LEU 9 HD21 LEU 9 -4.569 -6.063 5.529 85 HD22 LEU 9 HD22 LEU 9 -6.077 -5.151 5.565 86 HD23 LEU 9 HD23 LEU 9 -4.532 -4.302 5.606 87 H LYS 10 H LYS 10 -1.926 -4.873 1.267 88 HA LYS 10 HA LYS 10 0.816 -4.021 1.800 89 HB2 LYS 10 HB3 LYS 10 -0.433 -5.694 -0.370 90 HB3 LYS 10 HB2 LYS 10 1.165 -4.987 -0.580 91 HG2 LYS 10 HG3 LYS 10 1.953 -6.156 1.401 92 HG3 LYS 10 HG2 LYS 10 0.352 -6.840 1.633 93 HD2 LYS 10 HD3 LYS 10 2.077 -7.292 -0.794 94 HD3 LYS 10 HD2 LYS 10 1.950 -8.408 0.563 95 HE2 LYS 10 HE3 LYS 10 -0.479 -8.595 0.121 96 HE3 LYS 10 HE2 LYS 10 -0.266 -7.570 -1.299 97 HZ1 LYS 10 HZ1 LYS 10 -0.278 -9.915 -1.877 98 HZ2 LYS 10 HZ2 LYS 10 1.042 -10.200 -0.860 99 HZ3 LYS 10 HZ3 LYS 10 1.220 -9.221 -2.229 100 H GLU 11 H GLU 11 1.815 -2.753 -0.119 101 HA GLU 11 HA GLU 11 -0.214 -1.102 -1.422 102 HB2 GLU 11 HB3 GLU 11 0.830 0.988 -0.727 103 HB3 GLU 11 HB2 GLU 11 0.235 0.077 0.653 104 HG2 GLU 11 HG3 GLU 11 2.289 -0.244 1.496 105 HG3 GLU 11 HG2 GLU 11 3.037 -0.384 -0.097 106 H LYS 12 H LYS 12 1.197 0.781 -2.602 107 HA LYS 12 HA LYS 12 3.230 -0.614 -4.158 108 HB2 LYS 12 HB3 LYS 12 1.947 0.276 -6.241 109 HB3 LYS 12 HB2 LYS 12 1.416 -1.208 -5.465 110 HG2 LYS 12 HG3 LYS 12 -0.526 0.044 -5.957 111 HG3 LYS 12 HG2 LYS 12 -0.281 0.149 -4.218 112 HD2 LYS 12 HD3 LYS 12 -0.899 2.316 -4.966 113 HD3 LYS 12 HD2 LYS 12 0.828 2.378 -4.611 114 HE2 LYS 12 HE3 LYS 12 0.369 3.539 -6.686 115 HE3 LYS 12 HE2 LYS 12 1.296 2.077 -7.019 116 HZ1 LYS 12 HZ1 LYS 12 -0.732 0.969 -7.692 117 HZ2 LYS 12 HZ2 LYS 12 -0.522 2.384 -8.592 118 HZ3 LYS 12 HZ3 LYS 12 -1.645 2.345 -7.331 119 H LEU 13 H LEU 13 3.114 1.744 -2.314 120 HA LEU 13 HA LEU 13 4.209 3.718 -2.106 121 HB2 LEU 13 HB3 LEU 13 5.870 2.497 -3.618 122 HB3 LEU 13 HB2 LEU 13 5.171 3.396 -4.946 123 HG LEU 13 HG LEU 13 6.375 4.791 -2.561 124 HD11 LEU 13 HD11 LEU 13 8.440 4.993 -3.860 125 HD12 LEU 13 HD12 LEU 13 7.762 3.938 -5.100 126 HD13 LEU 13 HD13 LEU 13 8.076 3.309 -3.482 127 HD21 LEU 13 HD21 LEU 13 4.941 6.118 -4.059 128 HD22 LEU 13 HD22 LEU 13 5.959 5.654 -5.423 129 HD23 LEU 13 HD23 LEU 13 6.625 6.639 -4.119 130 H ARG 14 H ARG 14 2.323 4.892 -1.928 131 HA ARG 14 HA ARG 14 1.825 6.672 -4.201 132 HB2 ARG 14 HB3 ARG 14 0.132 4.812 -4.234 133 HB3 ARG 14 HB2 ARG 14 -0.435 5.379 -2.675 134 HG2 ARG 14 HG3 ARG 14 -1.893 6.213 -4.367 135 HG3 ARG 14 HG2 ARG 14 -0.972 7.564 -3.705 136 HD2 ARG 14 HD3 ARG 14 -0.282 6.103 -6.257 137 HD3 ARG 14 HD2 ARG 14 -1.200 7.602 -6.186 138 HE ARG 14 HE ARG 14 0.959 8.407 -4.955 139 HH11 ARG 14 HH11 ARG 14 0.731 6.334 -7.771 140 HH12 ARG 14 HH12 ARG 14 2.282 6.800 -8.391 141 HH21 ARG 14 HH22 ARG 14 3.004 9.015 -5.780 142 HH22 ARG 14 HH21 ARG 14 3.573 8.319 -7.264 143 H THR 15 H THR 15 2.530 6.269 -1.020 144 HA THR 15 HA THR 15 2.642 7.605 0.791 145 HB THR 15 HB THR 15 4.338 8.651 -0.523 146 HG1 THR 15 HG1 THR 15 3.807 10.994 0.231 147 HG21 THR 15 HG21 THR 15 2.968 9.167 -2.536 148 HG22 THR 15 HG22 THR 15 3.997 10.498 -2.017 149 HG23 THR 15 HG23 THR 15 2.272 10.532 -1.662 150 H VAL 16 H VAL 16 0.538 7.241 1.426 151 HA VAL 16 HA VAL 16 -1.115 9.330 2.086 152 HB VAL 16 HB VAL 16 -1.342 9.474 -0.447 153 HG11 VAL 16 HG11 VAL 16 -2.634 6.818 -0.041 154 HG12 VAL 16 HG12 VAL 16 -1.411 7.302 -1.216 155 HG13 VAL 16 HG13 VAL 16 -3.077 7.857 -1.394 156 HG21 VAL 16 HG21 VAL 16 -3.670 10.019 -0.433 157 HG22 VAL 16 HG22 VAL 16 -2.974 10.481 1.117 158 HG23 VAL 16 HG23 VAL 16 -3.954 9.023 0.986 159 H ILE 17 H ILE 17 -3.657 7.727 1.703 160 HA ILE 17 HA ILE 17 -3.477 5.986 3.875 161 HB ILE 17 HB ILE 17 -5.609 6.867 3.167 162 HG12 ILE 17 HG13 ILE 17 -5.349 4.453 4.195 163 HG13 ILE 17 HG12 ILE 17 -6.922 5.048 3.686 164 HG21 ILE 17 HG21 ILE 17 -5.253 5.244 0.663 165 HG22 ILE 17 HG22 ILE 17 -5.273 7.002 0.798 166 HG23 ILE 17 HG23 ILE 17 -6.737 6.076 1.127 167 HD11 ILE 17 HD11 ILE 17 -6.786 2.838 2.915 168 HD12 ILE 17 HD12 ILE 17 -5.147 3.056 2.300 169 HD13 ILE 17 HD13 ILE 17 -6.506 3.841 1.495 170 H THR 18 H THR 18 -3.062 5.411 0.427 171 HA THR 18 HA THR 18 -2.816 2.689 0.270 172 HB THR 18 HB THR 18 -0.834 4.551 -1.045 173 HG1 THR 18 HG1 THR 18 -3.613 4.173 -1.588 174 HG21 THR 18 HG21 THR 18 -2.250 2.062 -2.024 175 HG22 THR 18 HG22 THR 18 -0.602 2.124 -1.405 176 HG23 THR 18 HG23 THR 18 -1.014 2.976 -2.890 177 H SER 19 H SER 19 -0.151 4.963 0.796 178 HA SER 19 HA SER 19 1.615 2.936 1.731 179 HB2 SER 19 HB3 SER 19 1.852 5.949 1.757 180 HB3 SER 19 HB2 SER 19 3.158 4.832 2.157 181 HG SER 19 HG SER 19 2.713 3.892 -0.004 182 H HIS 20 H HIS 20 -0.189 2.326 3.297 183 HA HIS 20 HA HIS 20 0.168 3.769 5.843 184 HB2 HIS 20 HB3 HIS 20 -2.172 3.381 5.057 185 HB3 HIS 20 HB2 HIS 20 -1.882 1.648 5.162 186 HD1 HIS 20 HD1 HIS 20 -2.264 4.707 7.335 187 HD2 HIS 20 HD2 HIS 20 -2.072 0.568 7.701 188 HE1 HIS 20 HE1 HIS 20 -2.918 4.204 9.712 189 HE2 HIS 20 HE2 HIS 20 -2.659 1.709 9.945 190 H ILE 21 H ILE 21 -0.108 0.431 4.643 191 HA ILE 21 HA ILE 21 2.301 -0.259 6.101 192 HB ILE 21 HB ILE 21 0.508 -0.770 7.721 193 HG12 ILE 21 HG13 ILE 21 1.781 -3.238 6.515 194 HG13 ILE 21 HG12 ILE 21 2.531 -2.160 7.686 195 HG21 ILE 21 HG21 ILE 21 -1.326 -1.162 6.188 196 HG22 ILE 21 HG22 ILE 21 -1.112 -2.549 7.257 197 HG23 ILE 21 HG23 ILE 21 -0.541 -2.623 5.591 198 HD11 ILE 21 HD11 ILE 21 0.094 -3.859 8.158 199 HD12 ILE 21 HD12 ILE 21 0.843 -2.780 9.334 200 HD13 ILE 21 HD13 ILE 21 1.725 -4.187 8.742 201 H ASP 22 H ASP 22 3.275 -2.203 5.253 202 HA ASP 22 HA ASP 22 2.099 -3.141 2.733 203 HB2 ASP 22 HB3 ASP 22 3.769 -1.361 2.241 204 HB3 ASP 22 HB2 ASP 22 4.991 -2.299 3.071 205 H LYS 23 H LYS 23 3.636 -5.004 1.863 206 HA LYS 23 HA LYS 23 3.830 -7.052 3.780 207 HB2 LYS 23 HB3 LYS 23 5.064 -8.300 2.068 208 HB3 LYS 23 HB2 LYS 23 3.648 -7.527 1.378 209 HG2 LYS 23 HG3 LYS 23 6.069 -5.910 1.186 210 HG3 LYS 23 HG2 LYS 23 6.175 -7.450 0.337 211 HD2 LYS 23 HD3 LYS 23 4.196 -6.927 -0.939 212 HD3 LYS 23 HD2 LYS 23 3.942 -5.450 -0.007 213 HE2 LYS 23 HE3 LYS 23 4.929 -4.927 -2.163 214 HE3 LYS 23 HE2 LYS 23 6.072 -4.544 -0.871 215 HZ1 LYS 23 HZ1 LYS 23 6.108 -6.959 -2.612 216 HZ2 LYS 23 HZ2 LYS 23 7.178 -6.680 -1.336 217 HZ3 LYS 23 HZ3 LYS 23 7.183 -5.661 -2.683 218 H VAL 24 H VAL 24 6.138 -4.662 2.559 219 HA VAL 24 HA VAL 24 7.955 -5.182 4.754 220 HB VAL 24 HB VAL 24 9.955 -5.547 3.281 221 HG11 VAL 24 HG11 VAL 24 9.589 -7.945 2.914 222 HG12 VAL 24 HG12 VAL 24 7.866 -7.713 3.207 223 HG13 VAL 24 HG13 VAL 24 9.030 -7.417 4.500 224 HG21 VAL 24 HG21 VAL 24 7.922 -6.198 1.159 225 HG22 VAL 24 HG22 VAL 24 9.670 -6.356 1.025 226 HG23 VAL 24 HG23 VAL 24 8.937 -4.759 1.185 227 H LEU 25 H LEU 25 10.202 -3.944 3.816 228 HA LEU 25 HA LEU 25 9.369 -1.193 3.543 229 HB2 LEU 25 HB3 LEU 25 11.975 -0.920 3.486 230 HB3 LEU 25 HB2 LEU 25 11.137 -1.274 4.981 231 HG LEU 25 HG LEU 25 11.717 -3.697 4.641 232 HD11 LEU 25 HD11 LEU 25 13.550 -4.237 3.121 233 HD12 LEU 25 HD12 LEU 25 13.503 -2.594 2.480 234 HD13 LEU 25 HD13 LEU 25 12.126 -3.673 2.246 235 HD21 LEU 25 HD21 LEU 25 14.011 -3.444 5.400 236 HD22 LEU 25 HD22 LEU 25 12.960 -2.256 6.165 237 HD23 LEU 25 HD23 LEU 25 14.022 -1.772 4.845 238 H ARG 26 H ARG 26 8.517 -2.487 1.309 239 HA ARG 26 HA ARG 26 10.468 -2.021 -0.779 240 HB2 ARG 26 HB3 ARG 26 9.243 -3.980 -1.156 241 HB3 ARG 26 HB2 ARG 26 7.724 -3.235 -0.692 242 HG2 ARG 26 HG3 ARG 26 9.047 -2.076 -3.052 243 HG3 ARG 26 HG2 ARG 26 8.442 -3.725 -3.229 244 HD2 ARG 26 HD3 ARG 26 6.239 -3.079 -2.675 245 HD3 ARG 26 HD2 ARG 26 6.773 -1.500 -2.090 246 HE ARG 26 HE ARG 26 7.443 -1.171 -4.553 247 HH11 ARG 26 HH11 ARG 26 4.640 -2.975 -3.473 248 HH12 ARG 26 HH12 ARG 26 3.772 -2.753 -4.956 249 HH21 ARG 26 HH22 ARG 26 6.285 -0.862 -6.500 250 HH22 ARG 26 HH21 ARG 26 4.703 -1.560 -6.676 251 HA PRO 27 HA PRO 27 7.364 1.413 -1.840 252 HB2 PRO 27 HB2 PRO 27 5.276 1.987 -0.328 253 HB3 PRO 27 HB3 PRO 27 5.244 0.543 -1.368 254 HG2 PRO 27 HG3 PRO 27 5.897 0.741 1.563 255 HG3 PRO 27 HG2 PRO 27 4.750 -0.353 0.762 256 HD2 PRO 27 HD3 PRO 27 7.299 -1.074 1.401 257 HD3 PRO 27 HD2 PRO 27 6.434 -1.739 0.000 258 H GLN 28 H GLN 28 8.275 3.388 -1.516 259 HA GLN 28 HA GLN 28 9.265 5.179 -0.509 260 HB2 GLN 28 HB3 GLN 28 7.496 4.389 1.820 261 HB3 GLN 28 HB2 GLN 28 8.363 5.910 1.686 262 HG2 GLN 28 HG3 GLN 28 6.273 4.998 -0.273 263 HG3 GLN 28 HG2 GLN 28 5.931 6.012 1.126 264 HE21 GLN 28 HE22 GLN 28 8.501 7.434 0.863 265 HE22 GLN 28 HE21 GLN 28 8.283 8.523 -0.462 266 H GLY 29 H GLY 29 10.371 2.452 -0.265 267 HA2 GLY 29 HA3 GLY 29 11.935 2.785 2.216 268 HA3 GLY 29 HA2 GLY 29 11.450 1.207 1.595 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 -6.316 -0.531 7.038 2 H2 ARG 1 H2 ARG 1 -5.584 -0.833 5.545 3 H3 ARG 1 H3 ARG 1 -5.619 -2.042 6.732 4 HA ARG 1 HA ARG 1 -7.236 -2.472 5.007 5 HB2 ARG 1 HB3 ARG 1 -9.193 -2.783 6.433 6 HB3 ARG 1 HB2 ARG 1 -7.730 -3.209 7.305 7 HG2 ARG 1 HG3 ARG 1 -7.795 -1.137 8.527 8 HG3 ARG 1 HG2 ARG 1 -9.173 -0.582 7.574 9 HD2 ARG 1 HD3 ARG 1 -9.156 -3.001 9.375 10 HD3 ARG 1 HD2 ARG 1 -9.831 -1.427 9.790 11 HE ARG 1 HE ARG 1 -11.039 -2.232 7.421 12 HH11 ARG 1 HH12 ARG 1 -10.871 -3.288 10.752 13 HH12 ARG 1 HH11 ARG 1 -12.442 -4.023 10.732 14 HH21 ARG 1 HH21 ARG 1 -13.118 -3.182 7.392 15 HH22 ARG 1 HH22 ARG 1 -13.725 -3.955 8.823 16 H LYS 2 H LYS 2 -8.930 -1.823 3.751 17 HA LYS 2 HA LYS 2 -10.485 0.431 3.837 18 HB2 LYS 2 HB3 LYS 2 -8.170 1.556 3.864 19 HB3 LYS 2 HB2 LYS 2 -8.016 1.033 2.198 20 HG2 LYS 2 HG3 LYS 2 -10.361 2.678 3.059 21 HG3 LYS 2 HG2 LYS 2 -8.799 3.434 2.733 22 HD2 LYS 2 HD3 LYS 2 -8.838 2.363 0.477 23 HD3 LYS 2 HD2 LYS 2 -10.477 1.805 0.823 24 HE2 LYS 2 HE3 LYS 2 -11.229 4.101 1.076 25 HE3 LYS 2 HE2 LYS 2 -9.586 4.687 0.820 26 HZ1 LYS 2 HZ1 LYS 2 -10.912 4.872 -1.185 27 HZ2 LYS 2 HZ2 LYS 2 -11.222 3.210 -1.170 28 HZ3 LYS 2 HZ3 LYS 2 -9.648 3.776 -1.416 29 H CYS 3 H CYS 3 -8.460 -1.681 1.964 30 HA CYS 3 HA CYS 3 -10.587 -2.399 0.194 31 HB2 CYS 3 HB3 CYS 3 -9.100 -1.761 -1.848 32 HB3 CYS 3 HB2 CYS 3 -10.063 -0.512 -1.070 33 H ASN 4 H ASN 4 -8.502 -3.263 -1.853 34 HA ASN 4 HA ASN 4 -7.697 -5.669 -0.390 35 HB2 ASN 4 HB3 ASN 4 -8.230 -5.088 -3.288 36 HB3 ASN 4 HB2 ASN 4 -7.300 -6.505 -2.820 37 HD21 ASN 4 HD22 ASN 4 -8.936 -7.789 -3.741 38 HD22 ASN 4 HD21 ASN 4 -10.413 -8.093 -2.894 39 H PHE 5 H PHE 5 -5.753 -6.670 -2.010 40 HA PHE 5 HA PHE 5 -3.424 -5.369 -1.151 41 HB2 PHE 5 HB3 PHE 5 -2.300 -6.916 -2.851 42 HB3 PHE 5 HB2 PHE 5 -3.219 -7.669 -1.557 43 HD1 PHE 5 HD2 PHE 5 -3.454 -6.621 -5.109 44 HD2 PHE 5 HD1 PHE 5 -4.895 -9.209 -2.059 45 HE1 PHE 5 HE2 PHE 5 -4.773 -7.852 -6.782 46 HE2 PHE 5 HE1 PHE 5 -6.220 -10.440 -3.722 47 HZ PHE 5 HZ PHE 5 -6.089 -9.839 -6.087 48 H LEU 6 H LEU 6 -1.693 -4.474 -2.493 49 HA LEU 6 HA LEU 6 -1.009 -2.644 -3.650 50 HB2 LEU 6 HB3 LEU 6 -2.711 -3.991 -5.749 51 HB3 LEU 6 HB2 LEU 6 -1.683 -2.614 -6.082 52 HG LEU 6 HG LEU 6 -0.464 -4.466 -6.822 53 HD11 LEU 6 HD11 LEU 6 0.562 -3.920 -4.045 54 HD12 LEU 6 HD12 LEU 6 0.874 -2.943 -5.480 55 HD13 LEU 6 HD13 LEU 6 1.476 -4.596 -5.394 56 HD21 LEU 6 HD21 LEU 6 -1.718 -6.271 -5.902 57 HD22 LEU 6 HD22 LEU 6 -1.216 -5.853 -4.264 58 HD23 LEU 6 HD23 LEU 6 -0.035 -6.468 -5.419 59 H CYS 7 H CYS 7 -2.684 -1.744 -1.949 60 HA CYS 7 HA CYS 7 -4.122 0.373 -3.124 61 HB2 CYS 7 HB3 CYS 7 -5.682 -1.468 -3.700 62 HB3 CYS 7 HB2 CYS 7 -5.833 -1.851 -1.989 63 H LYS 8 H LYS 8 -4.078 -1.776 -0.255 64 HA LYS 8 HA LYS 8 -2.784 0.242 1.287 65 HB2 LYS 8 HB3 LYS 8 -5.292 0.907 1.334 66 HB3 LYS 8 HB2 LYS 8 -5.496 -0.500 2.370 67 HG2 LYS 8 HG3 LYS 8 -3.755 0.463 3.889 68 HG3 LYS 8 HG2 LYS 8 -3.792 1.927 2.906 69 HD2 LYS 8 HD3 LYS 8 -6.315 1.931 3.359 70 HD3 LYS 8 HD2 LYS 8 -5.954 0.770 4.638 71 HE2 LYS 8 HE3 LYS 8 -4.344 2.411 5.587 72 HE3 LYS 8 HE2 LYS 8 -4.867 3.563 4.361 73 HZ1 LYS 8 HZ1 LYS 8 -5.975 3.884 6.507 74 HZ2 LYS 8 HZ2 LYS 8 -6.660 2.344 6.386 75 HZ3 LYS 8 HZ3 LYS 8 -7.070 3.546 5.267 76 H LEU 9 H LEU 9 -2.491 -2.512 0.494 77 HA LEU 9 HA LEU 9 -2.345 -3.827 3.095 78 HB2 LEU 9 HB3 LEU 9 -3.899 -4.818 0.739 79 HB3 LEU 9 HB2 LEU 9 -3.108 -5.978 1.784 80 HG LEU 9 HG LEU 9 -4.396 -4.887 3.708 81 HD11 LEU 9 HD11 LEU 9 -6.448 -3.737 3.118 82 HD12 LEU 9 HD12 LEU 9 -6.018 -3.808 1.411 83 HD13 LEU 9 HD13 LEU 9 -5.047 -2.848 2.526 84 HD21 LEU 9 HD21 LEU 9 -6.394 -6.209 3.237 85 HD22 LEU 9 HD22 LEU 9 -4.927 -7.085 2.805 86 HD23 LEU 9 HD23 LEU 9 -5.911 -6.340 1.546 87 H LYS 10 H LYS 10 -1.756 -4.466 -0.372 88 HA LYS 10 HA LYS 10 0.692 -5.861 0.303 89 HB2 LYS 10 HB3 LYS 10 -0.861 -6.601 -1.542 90 HB3 LYS 10 HB2 LYS 10 -0.329 -5.197 -2.450 91 HG2 LYS 10 HG3 LYS 10 0.880 -7.112 -3.205 92 HG3 LYS 10 HG2 LYS 10 1.984 -6.038 -2.347 93 HD2 LYS 10 HD3 LYS 10 2.290 -8.445 -1.799 94 HD3 LYS 10 HD2 LYS 10 1.926 -7.438 -0.397 95 HE2 LYS 10 HE3 LYS 10 -0.312 -8.197 -0.316 96 HE3 LYS 10 HE2 LYS 10 -0.194 -8.946 -1.905 97 HZ1 LYS 10 HZ1 LYS 10 1.322 -10.568 -1.010 98 HZ2 LYS 10 HZ2 LYS 10 -0.089 -10.559 -0.081 99 HZ3 LYS 10 HZ3 LYS 10 1.314 -9.816 0.502 100 H GLU 11 H GLU 11 -0.276 -2.816 -1.177 101 HA GLU 11 HA GLU 11 0.826 -0.839 -1.415 102 HB2 GLU 11 HB3 GLU 11 1.902 -1.875 0.807 103 HB3 GLU 11 HB2 GLU 11 3.329 -1.894 -0.210 104 HG2 GLU 11 HG3 GLU 11 1.681 0.544 0.412 105 HG3 GLU 11 HG2 GLU 11 3.172 0.092 1.232 106 H LYS 12 H LYS 12 2.782 0.120 -2.520 107 HA LYS 12 HA LYS 12 4.392 -1.517 -4.176 108 HB2 LYS 12 HB3 LYS 12 3.280 -0.377 -6.318 109 HB3 LYS 12 HB2 LYS 12 2.771 -1.942 -5.713 110 HG2 LYS 12 HG3 LYS 12 0.733 -0.999 -5.967 111 HG3 LYS 12 HG2 LYS 12 1.071 -0.449 -4.330 112 HD2 LYS 12 HD3 LYS 12 0.160 1.349 -5.686 113 HD3 LYS 12 HD2 LYS 12 1.819 1.715 -5.225 114 HE2 LYS 12 HE3 LYS 12 1.407 2.284 -7.563 115 HE3 LYS 12 HE2 LYS 12 2.586 0.983 -7.439 116 HZ1 LYS 12 HZ1 LYS 12 -0.295 0.640 -8.056 117 HZ2 LYS 12 HZ2 LYS 12 0.844 -0.604 -7.959 118 HZ3 LYS 12 HZ3 LYS 12 0.962 0.560 -9.176 119 H LEU 13 H LEU 13 2.827 1.644 -4.040 120 HA LEU 13 HA LEU 13 4.572 3.306 -3.049 121 HB2 LEU 13 HB3 LEU 13 6.173 4.143 -4.518 122 HB3 LEU 13 HB2 LEU 13 6.267 2.417 -4.772 123 HG LEU 13 HG LEU 13 4.718 4.244 -6.603 124 HD11 LEU 13 HD11 LEU 13 6.667 4.144 -8.091 125 HD12 LEU 13 HD12 LEU 13 7.576 3.315 -6.828 126 HD13 LEU 13 HD13 LEU 13 7.030 4.973 -6.577 127 HD21 LEU 13 HD21 LEU 13 5.863 1.488 -7.029 128 HD22 LEU 13 HD22 LEU 13 4.903 2.420 -8.176 129 HD23 LEU 13 HD23 LEU 13 4.172 1.839 -6.682 130 H ARG 14 H ARG 14 3.563 5.267 -2.971 131 HA ARG 14 HA ARG 14 2.344 6.430 -5.249 132 HB2 ARG 14 HB3 ARG 14 0.648 4.697 -4.775 133 HB3 ARG 14 HB2 ARG 14 0.425 5.376 -3.170 134 HG2 ARG 14 HG3 ARG 14 -1.341 6.087 -4.681 135 HG3 ARG 14 HG2 ARG 14 -0.373 7.461 -4.144 136 HD2 ARG 14 HD3 ARG 14 0.896 7.346 -6.261 137 HD3 ARG 14 HD2 ARG 14 -0.155 6.037 -6.794 138 HE ARG 14 HE ARG 14 -1.753 8.222 -6.084 139 HH11 ARG 14 HH11 ARG 14 0.593 7.317 -8.512 140 HH12 ARG 14 HH12 ARG 14 -0.055 8.370 -9.725 141 HH21 ARG 14 HH22 ARG 14 -2.620 9.619 -7.676 142 HH22 ARG 14 HH21 ARG 14 -1.882 9.692 -9.244 143 H THR 15 H THR 15 1.082 6.626 -1.936 144 HA THR 15 HA THR 15 2.192 9.274 -1.600 145 HB THR 15 HB THR 15 -0.219 10.104 -1.167 146 HG1 THR 15 HG1 THR 15 -1.713 9.028 -2.670 147 HG21 THR 15 HG21 THR 15 -0.463 10.860 -3.468 148 HG22 THR 15 HG22 THR 15 0.675 9.625 -4.008 149 HG23 THR 15 HG23 THR 15 1.228 10.942 -2.976 150 H VAL 16 H VAL 16 -0.570 7.374 -0.401 151 HA VAL 16 HA VAL 16 0.552 7.157 2.252 152 HB VAL 16 HB VAL 16 -2.031 8.709 1.936 153 HG11 VAL 16 HG11 VAL 16 -1.817 7.140 3.884 154 HG12 VAL 16 HG12 VAL 16 -2.097 8.833 4.301 155 HG13 VAL 16 HG13 VAL 16 -0.479 8.144 4.448 156 HG21 VAL 16 HG21 VAL 16 -0.131 10.134 1.389 157 HG22 VAL 16 HG22 VAL 16 0.665 9.667 2.892 158 HG23 VAL 16 HG23 VAL 16 -0.831 10.598 2.940 159 H ILE 17 H ILE 17 -2.671 7.095 0.684 160 HA ILE 17 HA ILE 17 -3.603 4.905 2.189 161 HB ILE 17 HB ILE 17 -5.288 6.232 1.261 162 HG12 ILE 17 HG13 ILE 17 -6.597 4.732 -0.223 163 HG13 ILE 17 HG12 ILE 17 -5.167 3.732 -0.441 164 HG21 ILE 17 HG21 ILE 17 -5.542 6.752 -1.100 165 HG22 ILE 17 HG22 ILE 17 -4.094 5.819 -1.473 166 HG23 ILE 17 HG23 ILE 17 -3.972 7.283 -0.502 167 HD11 ILE 17 HD11 ILE 17 -6.219 4.239 2.299 168 HD12 ILE 17 HD12 ILE 17 -5.281 2.864 1.699 169 HD13 ILE 17 HD13 ILE 17 -6.988 3.043 1.260 170 H THR 18 H THR 18 -2.564 4.984 -1.224 171 HA THR 18 HA THR 18 -2.805 2.175 -1.575 172 HB THR 18 HB THR 18 -1.085 4.025 -3.231 173 HG1 THR 18 HG1 THR 18 -3.912 3.770 -3.112 174 HG21 THR 18 HG21 THR 18 -1.734 2.550 -5.064 175 HG22 THR 18 HG22 THR 18 -2.751 1.613 -3.971 176 HG23 THR 18 HG23 THR 18 -1.001 1.617 -3.760 177 H SER 19 H SER 19 -0.578 4.226 -0.174 178 HA SER 19 HA SER 19 1.604 2.290 -0.326 179 HB2 SER 19 HB3 SER 19 3.098 4.127 -0.514 180 HB3 SER 19 HB2 SER 19 1.738 4.509 -1.580 181 HG SER 19 HG SER 19 1.894 5.409 1.087 182 H HIS 20 H HIS 20 -0.029 1.765 1.676 183 HA HIS 20 HA HIS 20 0.966 3.211 4.029 184 HB2 HIS 20 HB3 HIS 20 -1.526 3.291 3.484 185 HB3 HIS 20 HB2 HIS 20 -1.572 1.586 3.916 186 HD1 HIS 20 HD1 HIS 20 -2.074 4.816 5.337 187 HD2 HIS 20 HD2 HIS 20 -0.506 1.222 6.715 188 HE1 HIS 20 HE1 HIS 20 -2.154 4.956 7.848 189 HE2 HIS 20 HE2 HIS 20 -1.096 2.823 8.656 190 H ILE 21 H ILE 21 -0.602 0.036 3.643 191 HA ILE 21 HA ILE 21 1.353 -1.133 5.440 192 HB ILE 21 HB ILE 21 -1.007 -2.423 4.047 193 HG12 ILE 21 HG13 ILE 21 -0.692 -1.441 6.893 194 HG13 ILE 21 HG12 ILE 21 -1.671 -0.674 5.648 195 HG21 ILE 21 HG21 ILE 21 -0.694 -4.248 5.655 196 HG22 ILE 21 HG22 ILE 21 0.747 -3.445 6.280 197 HG23 ILE 21 HG23 ILE 21 0.721 -4.043 4.622 198 HD11 ILE 21 HD11 ILE 21 -2.117 -3.420 6.793 199 HD12 ILE 21 HD12 ILE 21 -3.107 -2.637 5.561 200 HD13 ILE 21 HD13 ILE 21 -3.033 -1.965 7.190 201 H ASP 22 H ASP 22 3.249 -1.621 4.571 202 HA ASP 22 HA ASP 22 3.500 -2.143 1.758 203 HB2 ASP 22 HB3 ASP 22 5.921 -2.262 2.215 204 HB3 ASP 22 HB2 ASP 22 5.201 -0.800 2.860 205 H LYS 23 H LYS 23 4.258 -3.937 0.775 206 HA LYS 23 HA LYS 23 3.662 -6.464 1.774 207 HB2 LYS 23 HB3 LYS 23 4.981 -7.331 -0.148 208 HB3 LYS 23 HB2 LYS 23 3.799 -6.118 -0.601 209 HG2 LYS 23 HG3 LYS 23 6.635 -5.312 -0.107 210 HG3 LYS 23 HG2 LYS 23 6.185 -6.074 -1.631 211 HD2 LYS 23 HD3 LYS 23 4.452 -4.311 -1.935 212 HD3 LYS 23 HD2 LYS 23 5.053 -3.523 -0.480 213 HE2 LYS 23 HE3 LYS 23 5.963 -2.474 -2.473 214 HE3 LYS 23 HE2 LYS 23 7.233 -3.232 -1.516 215 HZ1 LYS 23 HZ1 LYS 23 5.975 -4.407 -3.940 216 HZ2 LYS 23 HZ2 LYS 23 7.230 -5.100 -3.044 217 HZ3 LYS 23 HZ3 LYS 23 7.489 -3.662 -3.893 218 H VAL 24 H VAL 24 6.542 -4.520 2.153 219 HA VAL 24 HA VAL 24 7.704 -5.934 4.172 220 HB VAL 24 HB VAL 24 7.836 -7.894 2.699 221 HG11 VAL 24 HG11 VAL 24 8.072 -6.803 0.545 222 HG12 VAL 24 HG12 VAL 24 9.382 -7.955 0.803 223 HG13 VAL 24 HG13 VAL 24 9.678 -6.226 0.994 224 HG21 VAL 24 HG21 VAL 24 9.471 -7.694 4.457 225 HG22 VAL 24 HG22 VAL 24 10.514 -6.719 3.421 226 HG23 VAL 24 HG23 VAL 24 10.221 -8.415 3.034 227 H LEU 25 H LEU 25 8.438 -4.269 1.148 228 HA LEU 25 HA LEU 25 11.037 -3.433 1.941 229 HB2 LEU 25 HB3 LEU 25 9.227 -2.347 -0.214 230 HB3 LEU 25 HB2 LEU 25 10.923 -1.950 -0.028 231 HG LEU 25 HG LEU 25 9.871 -4.718 -0.609 232 HD11 LEU 25 HD11 LEU 25 9.436 -3.245 -2.478 233 HD12 LEU 25 HD12 LEU 25 10.766 -4.334 -2.869 234 HD13 LEU 25 HD13 LEU 25 11.097 -2.659 -2.436 235 HD21 LEU 25 HD21 LEU 25 12.214 -5.223 -1.116 236 HD22 LEU 25 HD22 LEU 25 12.007 -4.724 0.563 237 HD23 LEU 25 HD23 LEU 25 12.671 -3.594 -0.616 238 H ARG 26 H ARG 26 8.265 -1.356 1.183 239 HA ARG 26 HA ARG 26 8.419 0.251 3.509 240 HB2 ARG 26 HB3 ARG 26 9.566 2.158 2.751 241 HB3 ARG 26 HB2 ARG 26 10.569 0.844 2.163 242 HG2 ARG 26 HG3 ARG 26 8.625 2.507 0.570 243 HG3 ARG 26 HG2 ARG 26 10.383 2.503 0.445 244 HD2 ARG 26 HD3 ARG 26 10.284 0.151 -0.315 245 HD3 ARG 26 HD2 ARG 26 8.520 0.228 -0.249 246 HE ARG 26 HE ARG 26 10.232 1.703 -2.133 247 HH11 ARG 26 HH11 ARG 26 7.050 0.638 -1.103 248 HH12 ARG 26 HH12 ARG 26 6.349 0.813 -2.680 249 HH21 ARG 26 HH22 ARG 26 9.295 1.937 -4.207 250 HH22 ARG 26 HH21 ARG 26 7.627 1.527 -4.448 251 HA PRO 27 HA PRO 27 4.775 1.543 1.258 252 HB2 PRO 27 HB2 PRO 27 3.920 3.532 2.972 253 HB3 PRO 27 HB3 PRO 27 3.678 1.796 3.227 254 HG2 PRO 27 HG3 PRO 27 5.343 3.599 4.726 255 HG3 PRO 27 HG2 PRO 27 5.049 1.877 5.006 256 HD2 PRO 27 HD3 PRO 27 7.334 3.201 3.683 257 HD3 PRO 27 HD2 PRO 27 7.234 1.587 4.416 258 H GLN 28 H GLN 28 5.381 4.699 2.659 259 HA GLN 28 HA GLN 28 6.701 6.110 0.740 260 HB2 GLN 28 HB3 GLN 28 5.031 5.241 -0.884 261 HB3 GLN 28 HB2 GLN 28 3.752 5.996 0.051 262 HG2 GLN 28 HG3 GLN 28 4.350 7.257 -1.961 263 HG3 GLN 28 HG2 GLN 28 4.575 8.185 -0.484 264 HE21 GLN 28 HE22 GLN 28 6.651 8.762 0.136 265 HE22 GLN 28 HE21 GLN 28 8.019 8.592 -0.912 266 H GLY 29 H GLY 29 3.786 5.994 2.695 267 HA2 GLY 29 HA3 GLY 29 4.440 8.688 3.704 268 HA3 GLY 29 HA2 GLY 29 2.795 8.075 3.583 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 -11.060 2.996 2.699 2 H2 ARG 1 H2 ARG 1 -9.727 2.262 1.974 3 H3 ARG 1 H3 ARG 1 -10.106 1.921 3.587 4 HA ARG 1 HA ARG 1 -12.208 0.936 2.886 5 HB2 ARG 1 HB3 ARG 1 -11.049 1.335 0.119 6 HB3 ARG 1 HB2 ARG 1 -12.498 0.412 0.489 7 HG2 ARG 1 HG3 ARG 1 -13.576 2.431 1.331 8 HG3 ARG 1 HG2 ARG 1 -12.123 3.359 0.970 9 HD2 ARG 1 HD3 ARG 1 -12.371 2.760 -1.409 10 HD3 ARG 1 HD2 ARG 1 -13.866 1.913 -1.018 11 HE ARG 1 HE ARG 1 -13.993 4.573 -0.077 12 HH11 ARG 1 HH12 ARG 1 -14.083 2.732 -3.048 13 HH12 ARG 1 HH11 ARG 1 -15.053 3.893 -3.891 14 HH21 ARG 1 HH21 ARG 1 -15.258 6.119 -1.186 15 HH22 ARG 1 HH22 ARG 1 -15.716 5.829 -2.832 16 H LYS 2 H LYS 2 -8.863 0.636 2.134 17 HA LYS 2 HA LYS 2 -7.393 -1.026 2.499 18 HB2 LYS 2 HB3 LYS 2 -9.811 -2.301 3.685 19 HB3 LYS 2 HB2 LYS 2 -8.359 -3.256 3.419 20 HG2 LYS 2 HG3 LYS 2 -7.132 -2.082 4.976 21 HG3 LYS 2 HG2 LYS 2 -8.177 -0.662 4.894 22 HD2 LYS 2 HD3 LYS 2 -9.946 -1.871 6.040 23 HD3 LYS 2 HD2 LYS 2 -8.981 -3.346 6.030 24 HE2 LYS 2 HE3 LYS 2 -8.131 -0.800 7.389 25 HE3 LYS 2 HE2 LYS 2 -9.009 -2.091 8.205 26 HZ1 LYS 2 HZ1 LYS 2 -7.189 -3.599 7.665 27 HZ2 LYS 2 HZ2 LYS 2 -6.644 -2.287 8.581 28 HZ3 LYS 2 HZ3 LYS 2 -6.341 -2.340 6.921 29 H CYS 3 H CYS 3 -10.353 -2.579 1.259 30 HA CYS 3 HA CYS 3 -10.692 -4.088 -0.419 31 HB2 CYS 3 HB3 CYS 3 -8.126 -3.194 -1.710 32 HB3 CYS 3 HB2 CYS 3 -9.577 -3.797 -2.481 33 H ASN 4 H ASN 4 -8.582 -5.374 -1.987 34 HA ASN 4 HA ASN 4 -7.382 -7.097 0.048 35 HB2 ASN 4 HB3 ASN 4 -7.730 -7.350 -2.943 36 HB3 ASN 4 HB2 ASN 4 -6.658 -8.417 -2.045 37 HD21 ASN 4 HD22 ASN 4 -9.969 -7.451 -2.552 38 HD22 ASN 4 HD21 ASN 4 -10.690 -8.849 -1.838 39 H PHE 5 H PHE 5 -5.115 -7.883 -1.447 40 HA PHE 5 HA PHE 5 -3.205 -5.926 -0.976 41 HB2 PHE 5 HB3 PHE 5 -1.836 -7.251 -2.693 42 HB3 PHE 5 HB2 PHE 5 -2.444 -8.143 -1.306 43 HD1 PHE 5 HD2 PHE 5 -2.936 -7.502 -4.903 44 HD2 PHE 5 HD1 PHE 5 -3.955 -9.948 -1.578 45 HE1 PHE 5 HE2 PHE 5 -3.999 -9.117 -6.420 46 HE2 PHE 5 HE1 PHE 5 -5.022 -11.567 -3.089 47 HZ PHE 5 HZ PHE 5 -5.022 -11.177 -5.502 48 H LEU 6 H LEU 6 -2.075 -4.479 -2.387 49 HA LEU 6 HA LEU 6 -2.056 -2.698 -3.755 50 HB2 LEU 6 HB3 LEU 6 -3.428 -4.655 -5.587 51 HB3 LEU 6 HB2 LEU 6 -2.954 -3.048 -6.093 52 HG LEU 6 HG LEU 6 -1.209 -4.353 -6.868 53 HD11 LEU 6 HD11 LEU 6 -0.131 -3.700 -4.136 54 HD12 LEU 6 HD12 LEU 6 -0.474 -2.477 -5.363 55 HD13 LEU 6 HD13 LEU 6 0.718 -3.734 -5.686 56 HD21 LEU 6 HD21 LEU 6 -1.778 -6.468 -5.954 57 HD22 LEU 6 HD22 LEU 6 -1.394 -5.930 -4.317 58 HD23 LEU 6 HD23 LEU 6 -0.107 -6.126 -5.507 59 H CYS 7 H CYS 7 -3.455 -1.784 -2.133 60 HA CYS 7 HA CYS 7 -5.330 -0.074 -3.273 61 HB2 CYS 7 HB3 CYS 7 -6.925 -1.915 -3.324 62 HB3 CYS 7 HB2 CYS 7 -6.594 -2.280 -1.633 63 H LYS 8 H LYS 8 -3.999 -1.676 -0.539 64 HA LYS 8 HA LYS 8 -3.315 0.643 0.883 65 HB2 LYS 8 HB3 LYS 8 -5.726 0.760 1.351 66 HB3 LYS 8 HB2 LYS 8 -5.694 -0.885 1.958 67 HG2 LYS 8 HG3 LYS 8 -4.405 -0.240 3.856 68 HG3 LYS 8 HG2 LYS 8 -4.160 1.377 3.202 69 HD2 LYS 8 HD3 LYS 8 -6.518 1.865 3.406 70 HD3 LYS 8 HD2 LYS 8 -6.835 0.218 3.947 71 HE2 LYS 8 HE3 LYS 8 -5.582 0.571 5.956 72 HE3 LYS 8 HE2 LYS 8 -5.037 2.145 5.391 73 HZ1 LYS 8 HZ1 LYS 8 -6.852 2.273 7.019 74 HZ2 LYS 8 HZ2 LYS 8 -7.870 1.455 5.943 75 HZ3 LYS 8 HZ3 LYS 8 -7.262 2.980 5.538 76 H LEU 9 H LEU 9 -3.719 -2.749 0.585 77 HA LEU 9 HA LEU 9 -2.394 -3.429 3.053 78 HB2 LEU 9 HB3 LEU 9 -3.765 -4.968 0.896 79 HB3 LEU 9 HB2 LEU 9 -2.684 -5.804 1.994 80 HG LEU 9 HG LEU 9 -4.074 -4.971 3.900 81 HD11 LEU 9 HD11 LEU 9 -6.310 -4.133 3.440 82 HD12 LEU 9 HD12 LEU 9 -5.958 -4.115 1.713 83 HD13 LEU 9 HD13 LEU 9 -5.081 -3.042 2.804 84 HD21 LEU 9 HD21 LEU 9 -4.345 -7.221 3.018 85 HD22 LEU 9 HD22 LEU 9 -5.499 -6.626 1.825 86 HD23 LEU 9 HD23 LEU 9 -5.893 -6.559 3.543 87 H LYS 10 H LYS 10 -1.815 -5.113 -0.001 88 HA LYS 10 HA LYS 10 0.890 -5.573 0.660 89 HB2 LYS 10 HB3 LYS 10 -0.458 -7.046 -0.821 90 HB3 LYS 10 HB2 LYS 10 -0.407 -5.803 -2.061 91 HG2 LYS 10 HG3 LYS 10 1.224 -7.511 -2.543 92 HG3 LYS 10 HG2 LYS 10 2.043 -6.002 -2.142 93 HD2 LYS 10 HD3 LYS 10 3.205 -7.773 -1.040 94 HD3 LYS 10 HD2 LYS 10 2.322 -6.872 0.191 95 HE2 LYS 10 HE3 LYS 10 1.970 -9.136 0.716 96 HE3 LYS 10 HE2 LYS 10 0.487 -8.612 -0.078 97 HZ1 LYS 10 HZ1 LYS 10 2.688 -10.171 -1.314 98 HZ2 LYS 10 HZ2 LYS 10 1.334 -9.593 -2.149 99 HZ3 LYS 10 HZ3 LYS 10 1.144 -10.737 -0.923 100 H GLU 11 H GLU 11 -0.648 -3.290 -1.509 101 HA GLU 11 HA GLU 11 0.108 -1.585 -2.762 102 HB2 GLU 11 HB3 GLU 11 1.533 -1.175 -0.153 103 HB3 GLU 11 HB2 GLU 11 1.532 0.029 -1.436 104 HG2 GLU 11 HG3 GLU 11 -0.613 -0.776 0.390 105 HG3 GLU 11 HG2 GLU 11 -0.324 0.768 -0.424 106 H LYS 12 H LYS 12 2.681 -0.225 -2.547 107 HA LYS 12 HA LYS 12 4.573 -1.874 -3.802 108 HB2 LYS 12 HB3 LYS 12 4.130 -1.327 -6.161 109 HB3 LYS 12 HB2 LYS 12 2.795 -2.213 -5.440 110 HG2 LYS 12 HG3 LYS 12 2.821 0.772 -5.846 111 HG3 LYS 12 HG2 LYS 12 2.130 -0.385 -6.982 112 HD2 LYS 12 HD3 LYS 12 0.798 -1.214 -4.915 113 HD3 LYS 12 HD2 LYS 12 1.211 0.358 -4.236 114 HE2 LYS 12 HE3 LYS 12 0.082 1.504 -5.948 115 HE3 LYS 12 HE2 LYS 12 -0.041 0.045 -6.933 116 HZ1 LYS 12 HZ1 LYS 12 -2.127 0.722 -5.758 117 HZ2 LYS 12 HZ2 LYS 12 -1.372 0.341 -4.286 118 HZ3 LYS 12 HZ3 LYS 12 -1.631 -0.861 -5.455 119 H LEU 13 H LEU 13 3.100 1.356 -4.268 120 HA LEU 13 HA LEU 13 5.084 2.851 -3.056 121 HB2 LEU 13 HB3 LEU 13 6.471 1.862 -4.945 122 HB3 LEU 13 HB2 LEU 13 5.487 2.797 -6.051 123 HG LEU 13 HG LEU 13 7.014 4.156 -3.844 124 HD11 LEU 13 HD11 LEU 13 8.059 3.438 -6.578 125 HD12 LEU 13 HD12 LEU 13 8.627 2.781 -5.042 126 HD13 LEU 13 HD13 LEU 13 8.859 4.491 -5.410 127 HD21 LEU 13 HD21 LEU 13 6.114 5.055 -6.580 128 HD22 LEU 13 HD22 LEU 13 6.971 6.040 -5.395 129 HD23 LEU 13 HD23 LEU 13 5.339 5.468 -5.050 130 H ARG 14 H ARG 14 3.997 4.664 -2.595 131 HA ARG 14 HA ARG 14 3.170 6.374 -4.681 132 HB2 ARG 14 HB3 ARG 14 1.204 4.836 -4.625 133 HB3 ARG 14 HB2 ARG 14 0.918 5.330 -2.963 134 HG2 ARG 14 HG3 ARG 14 -0.541 6.498 -4.546 135 HG3 ARG 14 HG2 ARG 14 0.514 7.610 -3.673 136 HD2 ARG 14 HD3 ARG 14 2.012 7.705 -5.595 137 HD3 ARG 14 HD2 ARG 14 0.987 6.566 -6.464 138 HE ARG 14 HE ARG 14 -0.763 8.484 -5.974 139 HH11 ARG 14 HH11 ARG 14 2.561 8.756 -7.030 140 HH12 ARG 14 HH12 ARG 14 2.288 10.200 -7.949 141 HH21 ARG 14 HH22 ARG 14 -1.128 10.397 -7.173 142 HH22 ARG 14 HH21 ARG 14 0.187 11.136 -8.031 143 H THR 15 H THR 15 1.431 6.336 -1.630 144 HA THR 15 HA THR 15 3.206 8.358 -0.531 145 HB THR 15 HB THR 15 0.270 8.973 -0.835 146 HG1 THR 15 HG1 THR 15 2.428 9.934 -2.444 147 HG21 THR 15 HG21 THR 15 2.645 10.741 -0.250 148 HG22 THR 15 HG22 THR 15 1.518 10.125 0.954 149 HG23 THR 15 HG23 THR 15 0.952 11.234 -0.291 150 H VAL 16 H VAL 16 -0.145 7.181 0.101 151 HA VAL 16 HA VAL 16 0.712 6.286 2.732 152 HB VAL 16 HB VAL 16 -1.425 8.400 2.401 153 HG11 VAL 16 HG11 VAL 16 -0.651 6.778 4.823 154 HG12 VAL 16 HG12 VAL 16 -2.203 6.762 3.986 155 HG13 VAL 16 HG13 VAL 16 -1.689 8.205 4.861 156 HG21 VAL 16 HG21 VAL 16 -0.051 9.728 3.902 157 HG22 VAL 16 HG22 VAL 16 0.872 9.264 2.476 158 HG23 VAL 16 HG23 VAL 16 1.132 8.425 4.001 159 H ILE 17 H ILE 17 -2.423 6.957 1.081 160 HA ILE 17 HA ILE 17 -3.558 4.587 2.160 161 HB ILE 17 HB ILE 17 -4.980 6.473 1.551 162 HG12 ILE 17 HG13 ILE 17 -6.784 5.256 0.484 163 HG13 ILE 17 HG12 ILE 17 -5.652 4.075 -0.162 164 HG21 ILE 17 HG21 ILE 17 -5.501 6.959 -0.802 165 HG22 ILE 17 HG22 ILE 17 -4.241 5.829 -1.298 166 HG23 ILE 17 HG23 ILE 17 -3.816 7.287 -0.403 167 HD11 ILE 17 HD11 ILE 17 -5.878 4.472 2.786 168 HD12 ILE 17 HD12 ILE 17 -5.349 3.046 1.884 169 HD13 ILE 17 HD13 ILE 17 -7.061 3.493 1.920 170 H THR 18 H THR 18 -1.800 5.277 -0.746 171 HA THR 18 HA THR 18 -2.308 2.564 -1.738 172 HB THR 18 HB THR 18 -0.833 4.659 -3.295 173 HG1 THR 18 HG1 THR 18 -3.572 4.615 -2.645 174 HG21 THR 18 HG21 THR 18 -2.777 2.509 -4.120 175 HG22 THR 18 HG22 THR 18 -1.023 2.345 -4.120 176 HG23 THR 18 HG23 THR 18 -1.797 3.513 -5.189 177 H SER 19 H SER 19 -0.439 3.862 0.384 178 HA SER 19 HA SER 19 1.746 2.024 -0.069 179 HB2 SER 19 HB3 SER 19 2.460 4.017 -1.323 180 HB3 SER 19 HB2 SER 19 2.202 5.017 0.104 181 HG SER 19 HG SER 19 3.828 3.631 1.130 182 H HIS 20 H HIS 20 0.060 1.577 1.869 183 HA HIS 20 HA HIS 20 0.908 3.098 4.240 184 HB2 HIS 20 HB3 HIS 20 -1.565 2.992 3.530 185 HB3 HIS 20 HB2 HIS 20 -1.531 1.344 4.153 186 HD1 HIS 20 HD1 HIS 20 -0.220 4.640 5.560 187 HD2 HIS 20 HD2 HIS 20 -2.609 1.409 6.632 188 HE1 HIS 20 HE1 HIS 20 -0.930 5.079 7.932 189 HE2 HIS 20 HE2 HIS 20 -2.314 3.077 8.588 190 H ILE 21 H ILE 21 -0.478 -0.173 3.941 191 HA ILE 21 HA ILE 21 1.224 -1.161 6.013 192 HB ILE 21 HB ILE 21 -0.624 -2.565 4.074 193 HG12 ILE 21 HG13 ILE 21 -1.798 -3.138 6.273 194 HG13 ILE 21 HG12 ILE 21 -0.751 -1.941 7.024 195 HG21 ILE 21 HG21 ILE 21 -0.254 -4.622 5.382 196 HG22 ILE 21 HG22 ILE 21 1.044 -3.807 6.255 197 HG23 ILE 21 HG23 ILE 21 1.189 -4.090 4.520 198 HD11 ILE 21 HD11 ILE 21 -1.684 -0.217 5.587 199 HD12 ILE 21 HD12 ILE 21 -2.941 -1.028 6.521 200 HD13 ILE 21 HD13 ILE 21 -2.720 -1.415 4.814 201 H ASP 22 H ASP 22 0.926 -2.000 2.600 202 HA ASP 22 HA ASP 22 2.404 -2.388 0.962 203 HB2 ASP 22 HB3 ASP 22 3.547 -0.342 1.704 204 HB3 ASP 22 HB2 ASP 22 4.465 -1.262 2.874 205 H LYS 23 H LYS 23 4.129 -3.805 0.294 206 HA LYS 23 HA LYS 23 4.453 -6.274 1.302 207 HB2 LYS 23 HB3 LYS 23 6.730 -4.590 0.229 208 HB3 LYS 23 HB2 LYS 23 6.711 -6.342 0.320 209 HG2 LYS 23 HG3 LYS 23 6.153 -6.093 -1.857 210 HG3 LYS 23 HG2 LYS 23 4.538 -6.033 -1.157 211 HD2 LYS 23 HD3 LYS 23 4.712 -4.262 -2.751 212 HD3 LYS 23 HD2 LYS 23 4.717 -3.537 -1.148 213 HE2 LYS 23 HE3 LYS 23 6.368 -2.556 -2.739 214 HE3 LYS 23 HE2 LYS 23 7.085 -3.157 -1.247 215 HZ1 LYS 23 HZ1 LYS 23 7.681 -5.200 -2.459 216 HZ2 LYS 23 HZ2 LYS 23 8.401 -3.829 -3.132 217 HZ3 LYS 23 HZ3 LYS 23 7.062 -4.531 -3.882 218 H VAL 24 H VAL 24 6.216 -3.377 2.384 219 HA VAL 24 HA VAL 24 6.604 -4.292 5.017 220 HB VAL 24 HB VAL 24 8.034 -5.976 3.879 221 HG11 VAL 24 HG11 VAL 24 9.749 -3.615 3.135 222 HG12 VAL 24 HG12 VAL 24 8.831 -4.632 2.025 223 HG13 VAL 24 HG13 VAL 24 10.184 -5.311 2.928 224 HG21 VAL 24 HG21 VAL 24 8.471 -5.418 6.193 225 HG22 VAL 24 HG22 VAL 24 9.504 -4.077 5.699 226 HG23 VAL 24 HG23 VAL 24 9.985 -5.736 5.347 227 H LEU 25 H LEU 25 5.910 -1.920 3.632 228 HA LEU 25 HA LEU 25 6.325 0.303 3.436 229 HB2 LEU 25 HB3 LEU 25 7.950 -0.331 5.892 230 HB3 LEU 25 HB2 LEU 25 7.789 1.299 5.273 231 HG LEU 25 HG LEU 25 5.260 0.960 5.507 232 HD11 LEU 25 HD11 LEU 25 4.566 -0.671 7.185 233 HD12 LEU 25 HD12 LEU 25 6.210 -1.302 7.252 234 HD13 LEU 25 HD13 LEU 25 5.267 -1.456 5.770 235 HD21 LEU 25 HD21 LEU 25 5.314 1.570 7.869 236 HD22 LEU 25 HD22 LEU 25 6.570 2.410 6.960 237 HD23 LEU 25 HD23 LEU 25 6.989 1.029 7.974 238 H ARG 26 H ARG 26 7.564 -0.957 1.559 239 HA ARG 26 HA ARG 26 10.391 -0.413 1.547 240 HB2 ARG 26 HB3 ARG 26 9.883 -2.387 0.433 241 HB3 ARG 26 HB2 ARG 26 8.457 -1.708 -0.337 242 HG2 ARG 26 HG3 ARG 26 11.035 -0.502 -1.098 243 HG3 ARG 26 HG2 ARG 26 10.767 -2.167 -1.613 244 HD2 ARG 26 HD3 ARG 26 8.832 -1.592 -2.825 245 HD3 ARG 26 HD2 ARG 26 8.719 -0.011 -2.046 246 HE ARG 26 HE ARG 26 11.152 -0.091 -3.391 247 HH11 ARG 26 HH11 ARG 26 7.745 -0.206 -4.229 248 HH12 ARG 26 HH12 ARG 26 7.989 0.473 -5.806 249 HH21 ARG 26 HH22 ARG 26 11.460 0.802 -5.462 250 HH22 ARG 26 HH21 ARG 26 10.098 1.043 -6.509 251 HA PRO 27 HA PRO 27 8.990 2.665 -1.904 252 HB2 PRO 27 HB2 PRO 27 6.488 3.731 -1.661 253 HB3 PRO 27 HB3 PRO 27 6.875 2.321 -2.668 254 HG2 PRO 27 HG3 PRO 27 5.721 2.419 0.093 255 HG3 PRO 27 HG2 PRO 27 5.238 1.409 -1.281 256 HD2 PRO 27 HD3 PRO 27 6.770 0.456 0.704 257 HD3 PRO 27 HD2 PRO 27 6.999 -0.059 -0.978 258 H GLN 28 H GLN 28 6.836 3.619 0.774 259 HA GLN 28 HA GLN 28 8.475 6.040 1.127 260 HB2 GLN 28 HB3 GLN 28 5.551 5.568 1.762 261 HB3 GLN 28 HB2 GLN 28 6.423 7.059 2.081 262 HG2 GLN 28 HG3 GLN 28 6.109 5.884 -0.668 263 HG3 GLN 28 HG2 GLN 28 4.987 7.053 0.025 264 HE21 GLN 28 HE22 GLN 28 5.447 8.548 -1.590 265 HE22 GLN 28 HE21 GLN 28 6.933 9.435 -1.625 266 H GLY 29 H GLY 29 9.540 3.954 2.317 267 HA2 GLY 29 HA3 GLY 29 9.115 4.432 5.145 268 HA3 GLY 29 HA2 GLY 29 8.761 2.800 4.587 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 -11.743 1.353 0.638 2 H2 ARG 1 H2 ARG 1 -10.300 1.938 1.289 3 H3 ARG 1 H3 ARG 1 -11.542 1.424 2.314 4 HA ARG 1 HA ARG 1 -9.792 -0.194 2.224 5 HB2 ARG 1 HB3 ARG 1 -11.148 -2.158 1.629 6 HB3 ARG 1 HB2 ARG 1 -12.056 -1.002 2.588 7 HG2 ARG 1 HG3 ARG 1 -13.124 -0.175 0.531 8 HG3 ARG 1 HG2 ARG 1 -12.254 -1.402 -0.388 9 HD2 ARG 1 HD3 ARG 1 -14.158 -1.983 1.875 10 HD3 ARG 1 HD2 ARG 1 -14.589 -2.033 0.168 11 HE ARG 1 HE ARG 1 -12.413 -3.697 0.435 12 HH11 ARG 1 HH12 ARG 1 -15.631 -3.510 1.786 13 HH12 ARG 1 HH11 ARG 1 -15.802 -5.227 1.962 14 HH21 ARG 1 HH21 ARG 1 -12.635 -5.972 0.643 15 HH22 ARG 1 HH22 ARG 1 -14.096 -6.629 1.310 16 H LYS 2 H LYS 2 -11.124 0.600 -0.943 17 HA LYS 2 HA LYS 2 -10.181 0.663 -2.990 18 HB2 LYS 2 HB3 LYS 2 -7.641 0.089 -1.472 19 HB3 LYS 2 HB2 LYS 2 -7.705 0.503 -3.181 20 HG2 LYS 2 HG3 LYS 2 -8.807 2.294 -1.039 21 HG3 LYS 2 HG2 LYS 2 -7.124 2.360 -1.558 22 HD2 LYS 2 HD3 LYS 2 -9.483 2.671 -3.414 23 HD3 LYS 2 HD2 LYS 2 -8.620 4.022 -2.676 24 HE2 LYS 2 HE3 LYS 2 -6.558 3.316 -3.765 25 HE3 LYS 2 HE2 LYS 2 -7.389 1.934 -4.474 26 HZ1 LYS 2 HZ1 LYS 2 -7.981 4.789 -5.020 27 HZ2 LYS 2 HZ2 LYS 2 -8.823 3.476 -5.673 28 HZ3 LYS 2 HZ3 LYS 2 -7.196 3.715 -6.063 29 H CYS 3 H CYS 3 -7.998 -1.819 -1.699 30 HA CYS 3 HA CYS 3 -9.503 -4.036 -2.606 31 HB2 CYS 3 HB3 CYS 3 -8.411 -4.688 -4.576 32 HB3 CYS 3 HB2 CYS 3 -8.619 -2.956 -4.788 33 H ASN 4 H ASN 4 -7.802 -2.952 -0.394 34 HA ASN 4 HA ASN 4 -6.149 -3.512 1.060 35 HB2 ASN 4 HB3 ASN 4 -7.061 -6.214 0.120 36 HB3 ASN 4 HB2 ASN 4 -5.758 -6.052 1.293 37 HD21 ASN 4 HD22 ASN 4 -6.860 -6.940 2.995 38 HD22 ASN 4 HD21 ASN 4 -8.224 -6.179 3.740 39 H PHE 5 H PHE 5 -5.051 -6.286 -0.702 40 HA PHE 5 HA PHE 5 -2.447 -5.172 -0.601 41 HB2 PHE 5 HB3 PHE 5 -1.712 -7.244 -1.724 42 HB3 PHE 5 HB2 PHE 5 -2.699 -7.538 -0.305 43 HD1 PHE 5 HD1 PHE 5 -5.152 -8.135 -0.653 44 HD2 PHE 5 HD2 PHE 5 -2.275 -8.186 -3.782 45 HE1 PHE 5 HE1 PHE 5 -6.614 -9.612 -1.967 46 HE2 PHE 5 HE2 PHE 5 -3.733 -9.656 -5.107 47 HZ PHE 5 HZ PHE 5 -5.904 -10.372 -4.198 48 H LEU 6 H LEU 6 -1.273 -4.168 -2.002 49 HA LEU 6 HA LEU 6 -0.629 -2.944 -3.780 50 HB2 LEU 6 HB3 LEU 6 -2.561 -4.696 -5.289 51 HB3 LEU 6 HB2 LEU 6 -1.626 -3.430 -6.055 52 HG LEU 6 HG LEU 6 -0.462 -5.410 -6.504 53 HD11 LEU 6 HD11 LEU 6 0.878 -4.150 -4.115 54 HD12 LEU 6 HD12 LEU 6 1.015 -3.636 -5.796 55 HD13 LEU 6 HD13 LEU 6 1.653 -5.201 -5.301 56 HD21 LEU 6 HD21 LEU 6 -1.602 -6.863 -4.933 57 HD22 LEU 6 HD22 LEU 6 -0.704 -6.149 -3.588 58 HD23 LEU 6 HD23 LEU 6 0.145 -7.075 -4.834 59 H CYS 7 H CYS 7 -2.685 -2.138 -1.988 60 HA CYS 7 HA CYS 7 -3.820 0.050 -3.511 61 HB2 CYS 7 HB3 CYS 7 -5.511 -2.104 -2.283 62 HB3 CYS 7 HB2 CYS 7 -6.108 -0.465 -2.433 63 H LYS 8 H LYS 8 -3.790 -1.671 -0.443 64 HA LYS 8 HA LYS 8 -3.045 0.792 0.950 65 HB2 LYS 8 HB3 LYS 8 -5.456 0.571 1.355 66 HB3 LYS 8 HB2 LYS 8 -5.234 -1.097 1.864 67 HG2 LYS 8 HG3 LYS 8 -3.880 -0.324 3.762 68 HG3 LYS 8 HG2 LYS 8 -4.155 1.345 3.262 69 HD2 LYS 8 HD3 LYS 8 -6.322 -0.612 4.015 70 HD3 LYS 8 HD2 LYS 8 -5.653 0.614 5.091 71 HE2 LYS 8 HE3 LYS 8 -6.391 2.361 3.528 72 HE3 LYS 8 HE2 LYS 8 -7.087 1.122 2.484 73 HZ1 LYS 8 HZ1 LYS 8 -8.571 0.495 4.287 74 HZ2 LYS 8 HZ2 LYS 8 -8.762 2.130 3.898 75 HZ3 LYS 8 HZ3 LYS 8 -7.903 1.686 5.284 76 H LEU 9 H LEU 9 -3.470 -2.646 0.892 77 HA LEU 9 HA LEU 9 -1.102 -3.091 2.531 78 HB2 LEU 9 HB3 LEU 9 -3.117 -4.981 1.295 79 HB3 LEU 9 HB2 LEU 9 -1.665 -5.528 2.105 80 HG LEU 9 HG LEU 9 -2.519 -4.386 4.188 81 HD11 LEU 9 HD11 LEU 9 -5.118 -4.321 2.676 82 HD12 LEU 9 HD12 LEU 9 -4.114 -2.908 2.998 83 HD13 LEU 9 HD13 LEU 9 -4.832 -3.804 4.339 84 HD21 LEU 9 HD21 LEU 9 -4.201 -6.591 3.020 85 HD22 LEU 9 HD22 LEU 9 -4.059 -6.192 4.730 86 HD23 LEU 9 HD23 LEU 9 -2.659 -6.798 3.847 87 H LYS 10 H LYS 10 -0.142 -5.313 1.233 88 HA LYS 10 HA LYS 10 1.884 -5.448 0.176 89 HB2 LYS 10 HB3 LYS 10 -0.006 -6.369 -1.282 90 HB3 LYS 10 HB2 LYS 10 0.273 -4.959 -2.292 91 HG2 LYS 10 HG3 LYS 10 1.544 -6.692 -3.244 92 HG3 LYS 10 HG2 LYS 10 2.689 -5.657 -2.391 93 HD2 LYS 10 HD3 LYS 10 3.274 -7.919 -1.906 94 HD3 LYS 10 HD2 LYS 10 2.546 -7.235 -0.453 95 HE2 LYS 10 HE3 LYS 10 1.623 -9.399 -0.708 96 HE3 LYS 10 HE2 LYS 10 0.370 -8.258 -1.193 97 HZ1 LYS 10 HZ1 LYS 10 2.113 -9.848 -2.991 98 HZ2 LYS 10 HZ2 LYS 10 1.037 -8.658 -3.522 99 HZ3 LYS 10 HZ3 LYS 10 0.451 -10.045 -2.756 100 H GLU 11 H GLU 11 0.203 -2.881 -1.603 101 HA GLU 11 HA GLU 11 0.728 -0.816 -2.214 102 HB2 GLU 11 HB3 GLU 11 2.178 0.479 -1.066 103 HB3 GLU 11 HB2 GLU 11 2.060 -0.863 0.052 104 HG2 GLU 11 HG3 GLU 11 4.298 -0.439 0.005 105 HG3 GLU 11 HG2 GLU 11 4.155 -1.750 -1.157 106 H LYS 12 H LYS 12 2.458 0.430 -3.532 107 HA LYS 12 HA LYS 12 3.983 -1.111 -5.350 108 HB2 LYS 12 HB3 LYS 12 2.347 -0.652 -7.318 109 HB3 LYS 12 HB2 LYS 12 2.080 -2.045 -6.288 110 HG2 LYS 12 HG3 LYS 12 -0.031 -1.025 -6.697 111 HG3 LYS 12 HG2 LYS 12 0.398 -0.710 -5.019 112 HD2 LYS 12 HD3 LYS 12 -0.553 1.282 -5.994 113 HD3 LYS 12 HD2 LYS 12 1.162 1.556 -5.678 114 HE2 LYS 12 HE3 LYS 12 1.605 0.996 -8.076 115 HE3 LYS 12 HE2 LYS 12 -0.136 0.927 -8.334 116 HZ1 LYS 12 HZ1 LYS 12 -0.305 3.239 -7.722 117 HZ2 LYS 12 HZ2 LYS 12 0.829 3.068 -8.963 118 HZ3 LYS 12 HZ3 LYS 12 1.352 3.314 -7.374 119 H LEU 13 H LEU 13 4.157 1.351 -3.864 120 HA LEU 13 HA LEU 13 4.925 3.467 -4.066 121 HB2 LEU 13 HB3 LEU 13 6.331 2.708 -5.892 122 HB3 LEU 13 HB2 LEU 13 5.000 2.857 -7.021 123 HG LEU 13 HG LEU 13 5.002 5.323 -6.602 124 HD11 LEU 13 HD11 LEU 13 7.004 6.306 -5.576 125 HD12 LEU 13 HD12 LEU 13 7.544 4.691 -5.113 126 HD13 LEU 13 HD13 LEU 13 6.062 5.356 -4.426 127 HD21 LEU 13 HD21 LEU 13 6.083 4.376 -8.557 128 HD22 LEU 13 HD22 LEU 13 7.561 4.111 -7.633 129 HD23 LEU 13 HD23 LEU 13 7.001 5.753 -7.949 130 H ARG 14 H ARG 14 3.563 4.994 -3.518 131 HA ARG 14 HA ARG 14 1.708 6.107 -5.404 132 HB2 ARG 14 HB3 ARG 14 0.777 4.023 -3.718 133 HB3 ARG 14 HB2 ARG 14 0.072 5.523 -3.133 134 HG2 ARG 14 HG3 ARG 14 -0.122 4.432 -5.933 135 HG3 ARG 14 HG2 ARG 14 -1.400 4.445 -4.717 136 HD2 ARG 14 HD3 ARG 14 -1.302 6.913 -4.696 137 HD3 ARG 14 HD2 ARG 14 -0.101 6.851 -5.984 138 HE ARG 14 HE ARG 14 -2.279 5.407 -6.886 139 HH11 ARG 14 HH11 ARG 14 -1.575 8.701 -5.935 140 HH12 ARG 14 HH12 ARG 14 -2.824 9.391 -6.916 141 HH21 ARG 14 HH22 ARG 14 -3.923 6.319 -8.196 142 HH22 ARG 14 HH21 ARG 14 -4.165 8.036 -8.196 143 H THR 15 H THR 15 1.447 5.964 -1.862 144 HA THR 15 HA THR 15 2.750 8.447 -1.448 145 HB THR 15 HB THR 15 0.873 9.480 -2.429 146 HG1 THR 15 HG1 THR 15 -0.065 10.570 -0.543 147 HG21 THR 15 HG21 THR 15 -1.430 9.106 -1.826 148 HG22 THR 15 HG22 THR 15 -0.953 7.951 -0.583 149 HG23 THR 15 HG23 THR 15 -0.697 7.569 -2.284 150 H VAL 16 H VAL 16 -0.053 6.777 0.060 151 HA VAL 16 HA VAL 16 1.430 5.763 2.216 152 HB VAL 16 HB VAL 16 1.472 8.286 2.698 153 HG11 VAL 16 HG11 VAL 16 -1.405 7.652 3.266 154 HG12 VAL 16 HG12 VAL 16 -0.755 8.913 2.210 155 HG13 VAL 16 HG13 VAL 16 -0.573 9.047 3.961 156 HG21 VAL 16 HG21 VAL 16 1.188 7.922 5.109 157 HG22 VAL 16 HG22 VAL 16 2.084 6.607 4.349 158 HG23 VAL 16 HG23 VAL 16 0.388 6.385 4.778 159 H ILE 17 H ILE 17 -1.671 6.742 0.853 160 HA ILE 17 HA ILE 17 -3.253 5.121 2.563 161 HB ILE 17 HB ILE 17 -4.166 6.931 1.099 162 HG12 ILE 17 HG13 ILE 17 -5.566 5.020 2.073 163 HG13 ILE 17 HG12 ILE 17 -6.276 5.961 0.774 164 HG21 ILE 17 HG21 ILE 17 -3.741 4.957 -1.131 165 HG22 ILE 17 HG22 ILE 17 -2.933 6.512 -0.926 166 HG23 ILE 17 HG23 ILE 17 -4.666 6.454 -1.252 167 HD11 ILE 17 HD11 ILE 17 -6.843 3.792 0.233 168 HD12 ILE 17 HD12 ILE 17 -5.284 3.138 0.740 169 HD13 ILE 17 HD13 ILE 17 -5.410 4.069 -0.755 170 H THR 18 H THR 18 -1.550 4.585 -0.446 171 HA THR 18 HA THR 18 -2.218 1.773 -0.498 172 HB THR 18 HB THR 18 -0.327 3.362 -2.239 173 HG1 THR 18 HG1 THR 18 -3.086 2.835 -2.327 174 HG21 THR 18 HG21 THR 18 -1.474 0.589 -2.566 175 HG22 THR 18 HG22 THR 18 0.219 1.007 -2.302 176 HG23 THR 18 HG23 THR 18 -0.576 1.460 -3.808 177 H SER 19 H SER 19 0.622 3.831 -0.048 178 HA SER 19 HA SER 19 2.220 1.643 0.953 179 HB2 SER 19 HB3 SER 19 3.161 3.554 -0.357 180 HB3 SER 19 HB2 SER 19 2.773 4.622 0.990 181 HG SER 19 HG SER 19 4.287 2.324 1.541 182 H HIS 20 H HIS 20 -0.030 1.700 2.400 183 HA HIS 20 HA HIS 20 0.409 3.151 4.884 184 HB2 HIS 20 HB3 HIS 20 -1.863 3.013 3.822 185 HB3 HIS 20 HB2 HIS 20 -1.851 1.281 4.135 186 HD1 HIS 20 HD1 HIS 20 -2.076 4.592 5.903 187 HD2 HIS 20 HD2 HIS 20 -2.473 0.538 6.737 188 HE1 HIS 20 HE1 HIS 20 -3.074 4.469 8.207 189 HE2 HIS 20 HE2 HIS 20 -3.209 2.009 8.732 190 H ILE 21 H ILE 21 -0.335 -0.205 3.952 191 HA ILE 21 HA ILE 21 1.636 -1.085 5.933 192 HB ILE 21 HB ILE 21 0.135 -3.170 6.211 193 HG12 ILE 21 HG13 ILE 21 -1.910 -1.126 5.318 194 HG13 ILE 21 HG12 ILE 21 -1.514 -2.629 4.493 195 HG21 ILE 21 HG21 ILE 21 -1.013 -2.119 8.102 196 HG22 ILE 21 HG22 ILE 21 -0.604 -0.530 7.459 197 HG23 ILE 21 HG23 ILE 21 0.674 -1.619 7.996 198 HD11 ILE 21 HD11 ILE 21 -3.590 -2.815 5.740 199 HD12 ILE 21 HD12 ILE 21 -2.745 -2.395 7.228 200 HD13 ILE 21 HD13 ILE 21 -2.362 -3.899 6.391 201 H ASP 22 H ASP 22 3.024 -1.101 4.213 202 HA ASP 22 HA ASP 22 2.569 -2.269 1.710 203 HB2 ASP 22 HB3 ASP 22 5.322 -2.071 2.890 204 HB3 ASP 22 HB2 ASP 22 4.799 -1.739 1.248 205 H LYS 23 H LYS 23 4.039 -4.001 0.794 206 HA LYS 23 HA LYS 23 3.830 -6.495 1.978 207 HB2 LYS 23 HB3 LYS 23 6.070 -6.851 0.501 208 HB3 LYS 23 HB2 LYS 23 4.454 -6.808 -0.180 209 HG2 LYS 23 HG3 LYS 23 5.950 -5.459 -1.509 210 HG3 LYS 23 HG2 LYS 23 4.763 -4.422 -0.720 211 HD2 LYS 23 HD3 LYS 23 6.581 -4.159 1.102 212 HD3 LYS 23 HD2 LYS 23 7.680 -4.755 -0.134 213 HE2 LYS 23 HE3 LYS 23 5.822 -2.472 -0.669 214 HE3 LYS 23 HE2 LYS 23 7.367 -2.207 0.135 215 HZ1 LYS 23 HZ1 LYS 23 6.991 -3.461 -2.539 216 HZ2 LYS 23 HZ2 LYS 23 8.478 -3.179 -1.784 217 HZ3 LYS 23 HZ3 LYS 23 7.510 -1.878 -2.266 218 H VAL 24 H VAL 24 6.151 -4.000 2.558 219 HA VAL 24 HA VAL 24 7.382 -5.509 4.708 220 HB VAL 24 HB VAL 24 9.655 -5.064 4.022 221 HG11 VAL 24 HG11 VAL 24 8.135 -6.351 1.769 222 HG12 VAL 24 HG12 VAL 24 8.774 -7.149 3.205 223 HG13 VAL 24 HG13 VAL 24 9.876 -6.461 2.014 224 HG21 VAL 24 HG21 VAL 24 9.360 -2.955 2.880 225 HG22 VAL 24 HG22 VAL 24 8.508 -3.759 1.563 226 HG23 VAL 24 HG23 VAL 24 10.218 -4.089 1.837 227 H LEU 25 H LEU 25 9.271 -3.735 5.517 228 HA LEU 25 HA LEU 25 7.639 -1.455 6.239 229 HB2 LEU 25 HB3 LEU 25 10.403 -2.307 7.099 230 HB3 LEU 25 HB2 LEU 25 9.632 -0.838 7.657 231 HG LEU 25 HG LEU 25 9.341 -2.414 9.381 232 HD11 LEU 25 HD11 LEU 25 7.335 -1.116 8.873 233 HD12 LEU 25 HD12 LEU 25 6.938 -2.706 9.525 234 HD13 LEU 25 HD13 LEU 25 6.780 -2.399 7.797 235 HD21 LEU 25 HD21 LEU 25 8.423 -4.647 9.068 236 HD22 LEU 25 HD22 LEU 25 9.898 -4.429 8.126 237 HD23 LEU 25 HD23 LEU 25 8.326 -4.373 7.328 238 H ARG 26 H ARG 26 7.704 -0.908 3.804 239 HA ARG 26 HA ARG 26 9.975 0.898 3.344 240 HB2 ARG 26 HB3 ARG 26 10.166 -0.906 1.838 241 HB3 ARG 26 HB2 ARG 26 8.445 -0.944 1.521 242 HG2 ARG 26 HG3 ARG 26 9.713 1.544 0.694 243 HG3 ARG 26 HG2 ARG 26 10.358 0.110 -0.112 244 HD2 ARG 26 HD3 ARG 26 8.294 -0.469 -1.010 245 HD3 ARG 26 HD2 ARG 26 7.397 0.503 0.161 246 HE ARG 26 HE ARG 26 9.009 1.645 -2.042 247 HH11 ARG 26 HH11 ARG 26 6.241 1.724 0.101 248 HH12 ARG 26 HH12 ARG 26 5.483 3.039 -0.723 249 HH21 ARG 26 HH22 ARG 26 8.035 3.418 -3.099 250 HH22 ARG 26 HH21 ARG 26 6.508 4.022 -2.533 251 HA PRO 27 HA PRO 27 5.506 2.865 2.937 252 HB2 PRO 27 HB2 PRO 27 6.088 4.220 5.517 253 HB3 PRO 27 HB3 PRO 27 4.571 3.508 4.928 254 HG2 PRO 27 HG3 PRO 27 5.976 2.274 6.808 255 HG3 PRO 27 HG2 PRO 27 5.218 1.351 5.488 256 HD2 PRO 27 HD3 PRO 27 8.083 2.215 5.786 257 HD3 PRO 27 HD2 PRO 27 7.437 0.628 5.314 258 H GLN 28 H GLN 28 5.452 4.682 1.790 259 HA GLN 28 HA GLN 28 7.823 6.402 1.844 260 HB2 GLN 28 HB3 GLN 28 7.128 7.160 -0.354 261 HB3 GLN 28 HB2 GLN 28 7.167 5.404 -0.310 262 HG2 GLN 28 HG3 GLN 28 4.726 5.390 0.015 263 HG3 GLN 28 HG2 GLN 28 4.723 7.147 -0.136 264 HE21 GLN 28 HE22 GLN 28 5.203 8.077 -2.138 265 HE22 GLN 28 HE21 GLN 28 5.089 7.177 -3.610 266 H GLY 29 H GLY 29 5.271 6.417 3.602 267 HA2 GLY 29 HA3 GLY 29 4.642 9.272 3.218 268 HA3 GLY 29 HA2 GLY 29 3.560 8.111 3.979 Start of MODEL 11 1 H1 ARG 1 H1 ARG 1 -11.417 0.039 2.968 2 H2 ARG 1 H2 ARG 1 -11.600 0.993 4.348 3 H3 ARG 1 H3 ARG 1 -10.328 1.295 3.275 4 HA ARG 1 HA ARG 1 -13.220 1.643 2.741 5 HB2 ARG 1 HB3 ARG 1 -12.154 3.397 4.144 6 HB3 ARG 1 HB2 ARG 1 -10.974 3.666 2.870 7 HG2 ARG 1 HG3 ARG 1 -12.830 4.301 1.356 8 HG3 ARG 1 HG2 ARG 1 -13.939 4.150 2.721 9 HD2 ARG 1 HD3 ARG 1 -12.581 5.841 3.934 10 HD3 ARG 1 HD2 ARG 1 -11.608 6.046 2.479 11 HE ARG 1 HE ARG 1 -14.370 6.402 1.922 12 HH11 ARG 1 HH12 ARG 1 -11.601 7.994 3.353 13 HH12 ARG 1 HH11 ARG 1 -12.201 9.592 3.053 14 HH21 ARG 1 HH21 ARG 1 -15.165 8.502 1.521 15 HH22 ARG 1 HH22 ARG 1 -14.227 9.883 2.001 16 H LYS 2 H LYS 2 -9.932 1.651 1.505 17 HA LYS 2 HA LYS 2 -10.802 2.234 -1.196 18 HB2 LYS 2 HB3 LYS 2 -8.495 2.718 0.199 19 HB3 LYS 2 HB2 LYS 2 -8.048 1.293 -0.722 20 HG2 LYS 2 HG3 LYS 2 -9.065 3.893 -1.846 21 HG3 LYS 2 HG2 LYS 2 -7.400 3.316 -1.878 22 HD2 LYS 2 HD3 LYS 2 -8.116 1.397 -3.247 23 HD3 LYS 2 HD2 LYS 2 -9.761 2.041 -3.254 24 HE2 LYS 2 HE3 LYS 2 -8.962 4.066 -4.360 25 HE3 LYS 2 HE2 LYS 2 -7.318 3.436 -4.337 26 HZ1 LYS 2 HZ1 LYS 2 -8.036 1.614 -5.749 27 HZ2 LYS 2 HZ2 LYS 2 -8.358 3.104 -6.482 28 HZ3 LYS 2 HZ3 LYS 2 -9.611 2.222 -5.774 29 H CYS 3 H CYS 3 -8.613 -0.263 0.017 30 HA CYS 3 HA CYS 3 -10.195 -2.494 -0.570 31 HB2 CYS 3 HB3 CYS 3 -8.349 -3.182 -2.471 32 HB3 CYS 3 HB2 CYS 3 -9.968 -2.600 -2.819 33 H ASN 4 H ASN 4 -8.089 -4.338 -1.175 34 HA ASN 4 HA ASN 4 -6.764 -4.226 1.438 35 HB2 ASN 4 HB3 ASN 4 -7.259 -6.539 -0.437 36 HB3 ASN 4 HB2 ASN 4 -6.308 -6.662 1.038 37 HD21 ASN 4 HD22 ASN 4 -9.474 -6.336 -0.310 38 HD22 ASN 4 HD21 ASN 4 -10.350 -6.585 1.159 39 H PHE 5 H PHE 5 -5.434 -6.264 -1.001 40 HA PHE 5 HA PHE 5 -2.876 -5.143 -0.487 41 HB2 PHE 5 HB3 PHE 5 -2.166 -6.774 -2.321 42 HB3 PHE 5 HB2 PHE 5 -2.875 -7.448 -0.865 43 HD1 PHE 5 HD2 PHE 5 -3.708 -6.496 -4.359 44 HD2 PHE 5 HD1 PHE 5 -4.727 -8.836 -0.960 45 HE1 PHE 5 HE2 PHE 5 -5.389 -7.688 -5.693 46 HE2 PHE 5 HE1 PHE 5 -6.412 -10.034 -2.288 47 HZ PHE 5 HZ PHE 5 -6.746 -9.463 -4.658 48 H LEU 6 H LEU 6 -1.496 -4.047 -1.838 49 HA LEU 6 HA LEU 6 -0.947 -2.298 -3.178 50 HB2 LEU 6 HB3 LEU 6 -2.961 -3.588 -5.018 51 HB3 LEU 6 HB2 LEU 6 -1.911 -2.266 -5.483 52 HG LEU 6 HG LEU 6 -0.885 -4.170 -6.368 53 HD11 LEU 6 HD11 LEU 6 0.493 -3.752 -3.718 54 HD12 LEU 6 HD12 LEU 6 0.672 -2.722 -5.142 55 HD13 LEU 6 HD13 LEU 6 1.203 -4.401 -5.199 56 HD21 LEU 6 HD21 LEU 6 -2.205 -5.846 -5.207 57 HD22 LEU 6 HD22 LEU 6 -1.292 -5.559 -3.721 58 HD23 LEU 6 HD23 LEU 6 -0.489 -6.234 -5.146 59 H CYS 7 H CYS 7 -2.821 -1.804 -1.188 60 HA CYS 7 HA CYS 7 -4.466 0.335 -2.265 61 HB2 CYS 7 HB3 CYS 7 -5.580 -2.316 -1.447 62 HB3 CYS 7 HB2 CYS 7 -6.544 -0.868 -1.188 63 H LYS 8 H LYS 8 -3.575 -1.733 0.354 64 HA LYS 8 HA LYS 8 -3.202 0.355 2.241 65 HB2 LYS 8 HB3 LYS 8 -5.631 0.233 2.475 66 HB3 LYS 8 HB2 LYS 8 -5.573 -1.513 2.593 67 HG2 LYS 8 HG3 LYS 8 -4.325 -1.291 4.713 68 HG3 LYS 8 HG2 LYS 8 -4.560 0.460 4.612 69 HD2 LYS 8 HD3 LYS 8 -6.950 0.191 4.652 70 HD3 LYS 8 HD2 LYS 8 -6.796 -1.562 4.563 71 HE2 LYS 8 HE3 LYS 8 -5.866 0.182 6.836 72 HE3 LYS 8 HE2 LYS 8 -7.320 -0.808 6.808 73 HZ1 LYS 8 HZ1 LYS 8 -4.524 -1.787 6.695 74 HZ2 LYS 8 HZ2 LYS 8 -5.890 -2.769 6.524 75 HZ3 LYS 8 HZ3 LYS 8 -5.608 -1.962 7.977 76 H LEU 9 H LEU 9 -4.012 -2.988 1.720 77 HA LEU 9 HA LEU 9 -1.634 -3.961 3.054 78 HB2 LEU 9 HB3 LEU 9 -3.817 -5.285 1.445 79 HB3 LEU 9 HB2 LEU 9 -2.382 -6.153 1.957 80 HG LEU 9 HG LEU 9 -2.998 -5.672 4.331 81 HD11 LEU 9 HD11 LEU 9 -5.638 -4.783 3.199 82 HD12 LEU 9 HD12 LEU 9 -4.395 -3.686 3.796 83 HD13 LEU 9 HD13 LEU 9 -5.155 -4.838 4.895 84 HD21 LEU 9 HD21 LEU 9 -5.064 -7.145 2.703 85 HD22 LEU 9 HD22 LEU 9 -4.792 -7.324 4.437 86 HD23 LEU 9 HD23 LEU 9 -3.540 -7.808 3.292 87 H LYS 10 H LYS 10 -0.746 -5.820 1.160 88 HA LYS 10 HA LYS 10 1.474 -5.312 0.445 89 HB2 LYS 10 HB3 LYS 10 -0.220 -6.337 -1.305 90 HB3 LYS 10 HB2 LYS 10 0.055 -4.808 -2.131 91 HG2 LYS 10 HG3 LYS 10 2.435 -5.225 -2.200 92 HG3 LYS 10 HG2 LYS 10 2.226 -6.698 -1.261 93 HD2 LYS 10 HD3 LYS 10 1.119 -6.204 -4.018 94 HD3 LYS 10 HD2 LYS 10 2.546 -7.169 -3.639 95 HE2 LYS 10 HE3 LYS 10 1.079 -8.620 -2.223 96 HE3 LYS 10 HE2 LYS 10 -0.306 -7.724 -2.849 97 HZ1 LYS 10 HZ1 LYS 10 1.627 -9.303 -4.462 98 HZ2 LYS 10 HZ2 LYS 10 0.329 -8.417 -5.089 99 HZ3 LYS 10 HZ3 LYS 10 0.040 -9.751 -4.092 100 H GLU 11 H GLU 11 1.748 -3.568 -2.111 101 HA GLU 11 HA GLU 11 0.855 -0.978 -1.461 102 HB2 GLU 11 HB3 GLU 11 2.766 0.114 -0.630 103 HB3 GLU 11 HB2 GLU 11 2.588 -1.337 0.344 104 HG2 GLU 11 HG3 GLU 11 4.448 -1.097 -1.999 105 HG3 GLU 11 HG2 GLU 11 4.899 -0.806 -0.331 106 H LYS 12 H LYS 12 1.947 0.728 -2.729 107 HA LYS 12 HA LYS 12 3.637 -0.078 -4.911 108 HB2 LYS 12 HB3 LYS 12 2.196 0.563 -6.700 109 HB3 LYS 12 HB2 LYS 12 1.273 -0.544 -5.699 110 HG2 LYS 12 HG3 LYS 12 0.704 1.995 -4.697 111 HG3 LYS 12 HG2 LYS 12 0.690 2.164 -6.452 112 HD2 LYS 12 HD3 LYS 12 -0.771 0.079 -6.488 113 HD3 LYS 12 HD2 LYS 12 -0.943 0.309 -4.744 114 HE2 LYS 12 HE3 LYS 12 -1.906 2.498 -5.089 115 HE3 LYS 12 HE2 LYS 12 -1.642 2.368 -6.827 116 HZ1 LYS 12 HZ1 LYS 12 -3.215 0.592 -6.945 117 HZ2 LYS 12 HZ2 LYS 12 -3.948 1.884 -6.135 118 HZ3 LYS 12 HZ3 LYS 12 -3.387 0.543 -5.264 119 H LEU 13 H LEU 13 4.388 1.852 -6.106 120 HA LEU 13 HA LEU 13 5.090 3.903 -4.302 121 HB2 LEU 13 HB3 LEU 13 5.291 3.925 -7.313 122 HB3 LEU 13 HB2 LEU 13 6.166 4.969 -6.209 123 HG LEU 13 HG LEU 13 6.506 1.983 -6.497 124 HD11 LEU 13 HD11 LEU 13 8.335 4.285 -7.158 125 HD12 LEU 13 HD12 LEU 13 7.493 3.256 -8.316 126 HD13 LEU 13 HD13 LEU 13 8.745 2.574 -7.279 127 HD21 LEU 13 HD21 LEU 13 6.788 2.624 -4.176 128 HD22 LEU 13 HD22 LEU 13 7.887 3.922 -4.648 129 HD23 LEU 13 HD23 LEU 13 8.351 2.239 -4.897 130 H ARG 14 H ARG 14 3.317 4.916 -3.487 131 HA ARG 14 HA ARG 14 2.009 6.836 -5.230 132 HB2 ARG 14 HB3 ARG 14 0.492 4.925 -5.316 133 HB3 ARG 14 HB2 ARG 14 0.459 4.851 -3.558 134 HG2 ARG 14 HG3 ARG 14 -1.551 5.912 -4.395 135 HG3 ARG 14 HG2 ARG 14 -0.571 7.074 -3.489 136 HD2 ARG 14 HD3 ARG 14 0.370 7.862 -5.651 137 HD3 ARG 14 HD2 ARG 14 -0.767 6.806 -6.484 138 HE ARG 14 HE ARG 14 -2.497 8.189 -5.153 139 HH11 ARG 14 HH11 ARG 14 0.502 9.393 -6.498 140 HH12 ARG 14 HH12 ARG 14 -0.089 11.009 -6.712 141 HH21 ARG 14 HH22 ARG 14 -3.293 10.311 -5.462 142 HH22 ARG 14 HH21 ARG 14 -2.257 11.530 -6.135 143 H THR 15 H THR 15 2.213 5.513 -1.934 144 HA THR 15 HA THR 15 2.614 6.544 0.069 145 HB THR 15 HB THR 15 2.693 9.133 -1.420 146 HG1 THR 15 HG1 THR 15 5.096 8.648 -1.226 147 HG21 THR 15 HG21 THR 15 4.139 9.868 0.430 148 HG22 THR 15 HG22 THR 15 3.955 8.286 1.186 149 HG23 THR 15 HG23 THR 15 2.558 9.347 1.011 150 H VAL 16 H VAL 16 0.514 6.018 0.705 151 HA VAL 16 HA VAL 16 -1.167 8.035 1.592 152 HB VAL 16 HB VAL 16 -1.496 8.275 -0.937 153 HG11 VAL 16 HG11 VAL 16 -2.975 5.694 -0.564 154 HG12 VAL 16 HG12 VAL 16 -1.625 6.027 -1.649 155 HG13 VAL 16 HG13 VAL 16 -3.196 6.769 -1.944 156 HG21 VAL 16 HG21 VAL 16 -2.986 9.383 0.550 157 HG22 VAL 16 HG22 VAL 16 -3.894 7.905 0.846 158 HG23 VAL 16 HG23 VAL 16 -3.940 8.659 -0.742 159 H ILE 17 H ILE 17 -3.686 6.463 1.252 160 HA ILE 17 HA ILE 17 -3.530 4.634 3.301 161 HB ILE 17 HB ILE 17 -5.672 5.414 2.542 162 HG12 ILE 17 HG13 ILE 17 -6.926 3.287 2.309 163 HG13 ILE 17 HG12 ILE 17 -5.407 2.444 2.030 164 HG21 ILE 17 HG21 ILE 17 -5.125 3.968 -0.045 165 HG22 ILE 17 HG22 ILE 17 -5.185 5.714 0.188 166 HG23 ILE 17 HG23 ILE 17 -6.646 4.749 0.391 167 HD11 ILE 17 HD11 ILE 17 -4.665 3.177 4.283 168 HD12 ILE 17 HD12 ILE 17 -6.063 2.101 4.289 169 HD13 ILE 17 HD13 ILE 17 -6.280 3.833 4.547 170 H THR 18 H THR 18 -2.811 4.197 -0.104 171 HA THR 18 HA THR 18 -2.631 1.454 -0.298 172 HB THR 18 HB THR 18 -0.758 3.459 -1.566 173 HG1 THR 18 HG1 THR 18 -3.453 3.011 -1.897 174 HG21 THR 18 HG21 THR 18 -0.038 1.175 -1.863 175 HG22 THR 18 HG22 THR 18 -0.693 1.798 -3.373 176 HG23 THR 18 HG23 THR 18 -1.655 0.700 -2.388 177 H SER 19 H SER 19 0.117 3.679 0.242 178 HA SER 19 HA SER 19 1.724 1.538 1.300 179 HB2 SER 19 HB3 SER 19 3.375 3.420 1.646 180 HB3 SER 19 HB2 SER 19 2.807 3.231 -0.012 181 HG SER 19 HG SER 19 2.169 5.210 1.879 182 H HIS 20 H HIS 20 -0.358 1.432 2.910 183 HA HIS 20 HA HIS 20 0.117 3.117 5.234 184 HB2 HIS 20 HB3 HIS 20 -2.210 2.491 4.340 185 HB3 HIS 20 HB2 HIS 20 -1.926 0.919 5.081 186 HD1 HIS 20 HD1 HIS 20 -0.885 4.184 6.669 187 HD2 HIS 20 HD2 HIS 20 -3.745 1.199 7.133 188 HE1 HIS 20 HE1 HIS 20 -2.005 4.652 8.871 189 HE2 HIS 20 HE2 HIS 20 -3.669 2.786 9.172 190 H ILE 21 H ILE 21 -0.443 -0.413 4.955 191 HA ILE 21 HA ILE 21 1.566 -0.746 7.077 192 HB ILE 21 HB ILE 21 -0.661 -1.696 7.566 193 HG12 ILE 21 HG13 ILE 21 0.088 -3.960 8.223 194 HG13 ILE 21 HG12 ILE 21 1.507 -3.771 7.198 195 HG21 ILE 21 HG21 ILE 21 -1.416 -3.711 6.364 196 HG22 ILE 21 HG22 ILE 21 -0.114 -3.472 5.197 197 HG23 ILE 21 HG23 ILE 21 -1.398 -2.271 5.347 198 HD11 ILE 21 HD11 ILE 21 0.843 -2.064 9.582 199 HD12 ILE 21 HD12 ILE 21 2.291 -1.948 8.583 200 HD13 ILE 21 HD13 ILE 21 2.005 -3.389 9.557 201 H ASP 22 H ASP 22 0.921 -1.265 3.797 202 HA ASP 22 HA ASP 22 2.029 -2.149 2.055 203 HB2 ASP 22 HB3 ASP 22 4.540 -2.380 3.678 204 HB3 ASP 22 HB2 ASP 22 4.342 -1.922 1.997 205 H LYS 23 H LYS 23 3.684 -4.076 1.453 206 HA LYS 23 HA LYS 23 3.032 -6.351 3.203 207 HB2 LYS 23 HB3 LYS 23 4.105 -7.743 1.414 208 HB3 LYS 23 HB2 LYS 23 2.679 -6.867 0.892 209 HG2 LYS 23 HG3 LYS 23 4.079 -6.544 -0.880 210 HG3 LYS 23 HG2 LYS 23 4.406 -5.100 0.074 211 HD2 LYS 23 HD3 LYS 23 6.360 -6.299 1.062 212 HD3 LYS 23 HD2 LYS 23 6.063 -7.609 -0.083 213 HE2 LYS 23 HE3 LYS 23 6.207 -5.847 -1.906 214 HE3 LYS 23 HE2 LYS 23 6.848 -4.752 -0.664 215 HZ1 LYS 23 HZ1 LYS 23 8.634 -5.830 -1.882 216 HZ2 LYS 23 HZ2 LYS 23 8.029 -7.362 -1.498 217 HZ3 LYS 23 HZ3 LYS 23 8.640 -6.366 -0.279 218 H VAL 24 H VAL 24 5.403 -4.090 2.507 219 HA VAL 24 HA VAL 24 6.905 -4.638 4.784 220 HB VAL 24 HB VAL 24 7.664 -6.546 3.152 221 HG11 VAL 24 HG11 VAL 24 9.545 -5.946 1.717 222 HG12 VAL 24 HG12 VAL 24 9.277 -4.241 2.084 223 HG13 VAL 24 HG13 VAL 24 8.054 -5.157 1.205 224 HG21 VAL 24 HG21 VAL 24 9.651 -4.803 4.594 225 HG22 VAL 24 HG22 VAL 24 9.937 -6.462 4.072 226 HG23 VAL 24 HG23 VAL 24 8.708 -6.121 5.288 227 H LEU 25 H LEU 25 8.930 -3.153 4.746 228 HA LEU 25 HA LEU 25 7.942 -0.653 3.752 229 HB2 LEU 25 HB3 LEU 25 10.217 0.154 4.840 230 HB3 LEU 25 HB2 LEU 25 8.782 -0.172 5.780 231 HG LEU 25 HG LEU 25 10.962 -0.991 6.741 232 HD11 LEU 25 HD11 LEU 25 8.917 -1.824 7.627 233 HD12 LEU 25 HD12 LEU 25 10.036 -3.177 7.462 234 HD13 LEU 25 HD13 LEU 25 8.732 -2.960 6.296 235 HD21 LEU 25 HD21 LEU 25 11.828 -3.138 5.911 236 HD22 LEU 25 HD22 LEU 25 12.032 -1.827 4.750 237 HD23 LEU 25 HD23 LEU 25 10.750 -3.014 4.521 238 H ARG 26 H ARG 26 8.313 -1.835 1.509 239 HA ARG 26 HA ARG 26 10.849 -0.800 0.472 240 HB2 ARG 26 HB3 ARG 26 10.295 -2.084 -1.599 241 HB3 ARG 26 HB2 ARG 26 10.575 -3.054 -0.165 242 HG2 ARG 26 HG3 ARG 26 8.753 -4.048 -1.216 243 HG3 ARG 26 HG2 ARG 26 8.053 -3.116 0.104 244 HD2 ARG 26 HD3 ARG 26 6.718 -2.858 -1.893 245 HD3 ARG 26 HD2 ARG 26 7.486 -1.326 -1.486 246 HE ARG 26 HE ARG 26 9.209 -2.365 -3.265 247 HH11 ARG 26 HH11 ARG 26 5.719 -2.061 -3.338 248 HH12 ARG 26 HH12 ARG 26 5.651 -1.817 -5.056 249 HH21 ARG 26 HH22 ARG 26 9.111 -2.078 -5.534 250 HH22 ARG 26 HH21 ARG 26 7.573 -1.860 -6.305 251 HA PRO 27 HA PRO 27 7.340 1.197 -2.233 252 HB2 PRO 27 HB2 PRO 27 5.506 2.599 -0.780 253 HB3 PRO 27 HB3 PRO 27 5.240 0.939 -1.345 254 HG2 PRO 27 HG3 PRO 27 6.108 1.912 1.349 255 HG3 PRO 27 HG2 PRO 27 4.949 0.637 0.942 256 HD2 PRO 27 HD3 PRO 27 7.486 0.101 1.701 257 HD3 PRO 27 HD2 PRO 27 6.608 -0.917 0.545 258 H GLN 28 H GLN 28 7.287 3.000 0.820 259 HA GLN 28 HA GLN 28 8.967 5.067 -0.424 260 HB2 GLN 28 HB3 GLN 28 6.913 5.566 1.733 261 HB3 GLN 28 HB2 GLN 28 7.740 6.754 0.739 262 HG2 GLN 28 HG3 GLN 28 5.641 4.793 -0.163 263 HG3 GLN 28 HG2 GLN 28 5.451 6.536 0.024 264 HE21 GLN 28 HE22 GLN 28 8.053 7.147 -1.129 265 HE22 GLN 28 HE21 GLN 28 7.904 6.874 -2.829 266 H GLY 29 H GLY 29 9.435 2.626 1.311 267 HA2 GLY 29 HA3 GLY 29 10.473 3.839 3.764 268 HA3 GLY 29 HA2 GLY 29 10.299 2.115 3.450 Start of MODEL 12 1 H1 ARG 1 H1 ARG 1 -11.951 3.067 1.398 2 H2 ARG 1 H2 ARG 1 -12.625 3.922 0.106 3 H3 ARG 1 H3 ARG 1 -11.023 3.394 0.023 4 HA ARG 1 HA ARG 1 -13.425 1.670 0.131 5 HB2 ARG 1 HB3 ARG 1 -12.958 1.113 -2.171 6 HB3 ARG 1 HB2 ARG 1 -13.083 2.859 -2.029 7 HG2 ARG 1 HG3 ARG 1 -10.590 2.948 -1.956 8 HG3 ARG 1 HG2 ARG 1 -10.577 1.222 -2.317 9 HD2 ARG 1 HD3 ARG 1 -10.276 2.392 -4.367 10 HD3 ARG 1 HD2 ARG 1 -11.913 1.733 -4.367 11 HE ARG 1 HE ARG 1 -12.237 4.240 -3.382 12 HH11 ARG 1 HH12 ARG 1 -10.757 2.933 -6.273 13 HH12 ARG 1 HH11 ARG 1 -11.054 4.358 -7.223 14 HH21 ARG 1 HH21 ARG 1 -12.634 6.113 -4.622 15 HH22 ARG 1 HH22 ARG 1 -12.118 6.170 -6.277 16 H LYS 2 H LYS 2 -9.897 1.914 0.039 17 HA LYS 2 HA LYS 2 -8.236 0.470 0.569 18 HB2 LYS 2 HB3 LYS 2 -10.352 -0.917 2.223 19 HB3 LYS 2 HB2 LYS 2 -8.607 -1.057 2.417 20 HG2 LYS 2 HG3 LYS 2 -8.438 1.209 3.148 21 HG3 LYS 2 HG2 LYS 2 -10.124 1.519 2.755 22 HD2 LYS 2 HD3 LYS 2 -10.799 -0.134 4.454 23 HD3 LYS 2 HD2 LYS 2 -9.101 -0.362 4.876 24 HE2 LYS 2 HE3 LYS 2 -10.153 1.157 6.444 25 HE3 LYS 2 HE2 LYS 2 -8.949 2.013 5.485 26 HZ1 LYS 2 HZ1 LYS 2 -11.883 2.065 5.025 27 HZ2 LYS 2 HZ2 LYS 2 -10.729 2.886 4.100 28 HZ3 LYS 2 HZ3 LYS 2 -10.970 3.306 5.719 29 H CYS 3 H CYS 3 -7.980 -0.393 -1.518 30 HA CYS 3 HA CYS 3 -9.418 -2.679 -2.439 31 HB2 CYS 3 HB3 CYS 3 -6.738 -2.374 -3.554 32 HB3 CYS 3 HB2 CYS 3 -8.300 -2.308 -4.360 33 H ASN 4 H ASN 4 -7.346 -2.353 0.030 34 HA ASN 4 HA ASN 4 -6.245 -3.739 1.396 35 HB2 ASN 4 HB3 ASN 4 -7.428 -5.885 -0.365 36 HB3 ASN 4 HB2 ASN 4 -6.468 -6.228 1.070 37 HD21 ASN 4 HD22 ASN 4 -9.217 -6.920 0.560 38 HD22 ASN 4 HD21 ASN 4 -10.158 -6.158 1.801 39 H PHE 5 H PHE 5 -5.534 -6.186 -0.903 40 HA PHE 5 HA PHE 5 -2.768 -5.736 -0.599 41 HB2 PHE 5 HB3 PHE 5 -2.518 -7.478 -2.365 42 HB3 PHE 5 HB2 PHE 5 -3.517 -7.957 -1.002 43 HD1 PHE 5 HD1 PHE 5 -5.979 -8.109 -1.272 44 HD2 PHE 5 HD2 PHE 5 -3.404 -7.324 -4.566 45 HE1 PHE 5 HE1 PHE 5 -7.790 -8.700 -2.827 46 HE2 PHE 5 HE2 PHE 5 -5.209 -7.913 -6.125 47 HZ PHE 5 HZ PHE 5 -7.407 -8.601 -5.256 48 H LEU 6 H LEU 6 -1.258 -4.958 -1.945 49 HA LEU 6 HA LEU 6 -0.390 -3.315 -3.244 50 HB2 LEU 6 HB3 LEU 6 -2.273 -4.635 -5.191 51 HB3 LEU 6 HB2 LEU 6 -1.121 -3.406 -5.664 52 HG LEU 6 HG LEU 6 -0.197 -5.508 -6.253 53 HD11 LEU 6 HD11 LEU 6 1.112 -4.398 -3.778 54 HD12 LEU 6 HD12 LEU 6 1.503 -4.087 -5.473 55 HD13 LEU 6 HD13 LEU 6 1.826 -5.672 -4.772 56 HD21 LEU 6 HD21 LEU 6 -1.514 -6.996 -4.929 57 HD22 LEU 6 HD22 LEU 6 -0.779 -6.403 -3.441 58 HD23 LEU 6 HD23 LEU 6 0.189 -7.308 -4.602 59 H CYS 7 H CYS 7 -1.954 -2.049 -1.590 60 HA CYS 7 HA CYS 7 -2.984 0.188 -2.940 61 HB2 CYS 7 HB3 CYS 7 -4.768 -1.221 -3.767 62 HB3 CYS 7 HB2 CYS 7 -5.102 -1.822 -2.147 63 H LYS 8 H LYS 8 -3.120 -1.860 -0.124 64 HA LYS 8 HA LYS 8 -2.632 0.409 1.595 65 HB2 LYS 8 HB3 LYS 8 -5.053 0.456 1.509 66 HB3 LYS 8 HB2 LYS 8 -5.139 -1.266 1.843 67 HG2 LYS 8 HG3 LYS 8 -4.336 -0.928 4.080 68 HG3 LYS 8 HG2 LYS 8 -4.047 0.784 3.757 69 HD2 LYS 8 HD3 LYS 8 -6.399 1.173 3.452 70 HD3 LYS 8 HD2 LYS 8 -6.743 -0.549 3.592 71 HE2 LYS 8 HE3 LYS 8 -5.501 1.097 5.780 72 HE3 LYS 8 HE2 LYS 8 -7.237 0.817 5.629 73 HZ1 LYS 8 HZ1 LYS 8 -6.238 -0.734 7.171 74 HZ2 LYS 8 HZ2 LYS 8 -5.157 -1.275 5.990 75 HZ3 LYS 8 HZ3 LYS 8 -6.812 -1.563 5.813 76 H LEU 9 H LEU 9 -3.019 -2.979 1.037 77 HA LEU 9 HA LEU 9 -1.722 -3.705 3.540 78 HB2 LEU 9 HB3 LEU 9 -3.375 -5.059 1.517 79 HB3 LEU 9 HB2 LEU 9 -2.151 -6.049 2.296 80 HG LEU 9 HG LEU 9 -3.099 -5.528 4.499 81 HD11 LEU 9 HD11 LEU 9 -5.235 -4.377 4.694 82 HD12 LEU 9 HD12 LEU 9 -5.217 -4.036 2.966 83 HD13 LEU 9 HD13 LEU 9 -3.998 -3.318 4.017 84 HD21 LEU 9 HD21 LEU 9 -5.109 -6.565 2.509 85 HD22 LEU 9 HD22 LEU 9 -5.190 -6.785 4.257 86 HD23 LEU 9 HD23 LEU 9 -3.870 -7.508 3.337 87 H LYS 10 H LYS 10 -1.329 -4.980 0.190 88 HA LYS 10 HA LYS 10 1.327 -5.762 0.735 89 HB2 LYS 10 HB3 LYS 10 -0.236 -6.658 -1.088 90 HB3 LYS 10 HB2 LYS 10 0.317 -5.300 -2.048 91 HG2 LYS 10 HG3 LYS 10 1.637 -7.163 -2.650 92 HG3 LYS 10 HG2 LYS 10 2.654 -6.084 -1.695 93 HD2 LYS 10 HD3 LYS 10 3.041 -8.354 -0.989 94 HD3 LYS 10 HD2 LYS 10 2.192 -7.493 0.297 95 HE2 LYS 10 HE3 LYS 10 1.172 -9.632 0.089 96 HE3 LYS 10 HE2 LYS 10 0.057 -8.449 -0.596 97 HZ1 LYS 10 HZ1 LYS 10 0.153 -10.320 -2.037 98 HZ2 LYS 10 HZ2 LYS 10 1.843 -10.289 -2.087 99 HZ3 LYS 10 HZ3 LYS 10 0.956 -9.051 -2.813 100 H GLU 11 H GLU 11 0.623 -3.496 -1.956 101 HA GLU 11 HA GLU 11 1.806 -1.218 -0.991 102 HB2 GLU 11 HB3 GLU 11 4.098 -1.272 -1.822 103 HB3 GLU 11 HB2 GLU 11 3.863 -2.641 -0.740 104 HG2 GLU 11 HG3 GLU 11 3.449 -4.061 -2.751 105 HG3 GLU 11 HG2 GLU 11 3.903 -2.685 -3.749 106 H LYS 12 H LYS 12 2.737 0.192 -2.784 107 HA LYS 12 HA LYS 12 2.989 -0.263 -5.393 108 HB2 LYS 12 HB3 LYS 12 0.970 0.356 -6.579 109 HB3 LYS 12 HB2 LYS 12 0.668 -1.045 -5.578 110 HG2 LYS 12 HG3 LYS 12 -1.240 0.164 -5.255 111 HG3 LYS 12 HG2 LYS 12 -0.267 0.699 -3.888 112 HD2 LYS 12 HD3 LYS 12 -1.418 2.561 -5.022 113 HD3 LYS 12 HD2 LYS 12 0.337 2.730 -5.061 114 HE2 LYS 12 HE3 LYS 12 -0.751 3.306 -7.210 115 HE3 LYS 12 HE2 LYS 12 0.399 1.983 -7.358 116 HZ1 LYS 12 HZ1 LYS 12 -1.415 0.419 -7.383 117 HZ2 LYS 12 HZ2 LYS 12 -1.670 1.584 -8.579 118 HZ3 LYS 12 HZ3 LYS 12 -2.545 1.652 -7.137 119 H LEU 13 H LEU 13 3.121 1.654 -6.714 120 HA LEU 13 HA LEU 13 4.321 3.752 -5.286 121 HB2 LEU 13 HB3 LEU 13 3.481 3.448 -8.157 122 HB3 LEU 13 HB2 LEU 13 4.196 4.934 -7.574 123 HG LEU 13 HG LEU 13 5.871 3.594 -8.676 124 HD11 LEU 13 HD11 LEU 13 6.624 4.924 -6.812 125 HD12 LEU 13 HD12 LEU 13 7.531 3.413 -6.879 126 HD13 LEU 13 HD13 LEU 13 6.246 3.619 -5.692 127 HD21 LEU 13 HD21 LEU 13 5.201 1.440 -6.677 128 HD22 LEU 13 HD22 LEU 13 6.551 1.403 -7.812 129 HD23 LEU 13 HD23 LEU 13 4.894 1.393 -8.414 130 H ARG 14 H ARG 14 3.077 4.919 -3.898 131 HA ARG 14 HA ARG 14 1.370 6.886 -5.069 132 HB2 ARG 14 HB3 ARG 14 -0.182 4.948 -4.949 133 HB3 ARG 14 HB2 ARG 14 0.050 4.906 -3.207 134 HG2 ARG 14 HG3 ARG 14 -2.039 6.024 -3.882 135 HG3 ARG 14 HG2 ARG 14 -0.959 7.074 -2.965 136 HD2 ARG 14 HD3 ARG 14 -1.978 8.221 -4.889 137 HD3 ARG 14 HD2 ARG 14 -0.222 8.157 -4.995 138 HE ARG 14 HE ARG 14 -1.723 6.087 -6.396 139 HH11 ARG 14 HH11 ARG 14 0.065 9.094 -6.555 140 HH12 ARG 14 HH12 ARG 14 0.355 8.980 -8.262 141 HH21 ARG 14 HH22 ARG 14 -1.362 5.935 -8.643 142 HH22 ARG 14 HH21 ARG 14 -0.452 7.171 -9.452 143 H THR 15 H THR 15 2.255 5.265 -2.034 144 HA THR 15 HA THR 15 2.674 6.009 0.044 145 HB THR 15 HB THR 15 3.682 8.415 -1.471 146 HG1 THR 15 HG1 THR 15 5.706 7.318 -1.018 147 HG21 THR 15 HG21 THR 15 4.463 7.613 1.316 148 HG22 THR 15 HG22 THR 15 3.128 8.721 1.005 149 HG23 THR 15 HG23 THR 15 4.757 9.139 0.482 150 H VAL 16 H VAL 16 0.904 6.182 1.164 151 HA VAL 16 HA VAL 16 -0.300 8.405 2.120 152 HB VAL 16 HB VAL 16 -0.854 8.907 -0.286 153 HG11 VAL 16 HG11 VAL 16 -2.783 6.615 -0.064 154 HG12 VAL 16 HG12 VAL 16 -1.330 6.656 -1.059 155 HG13 VAL 16 HG13 VAL 16 -2.665 7.757 -1.401 156 HG21 VAL 16 HG21 VAL 16 -2.082 10.069 1.352 157 HG22 VAL 16 HG22 VAL 16 -3.100 8.673 1.694 158 HG23 VAL 16 HG23 VAL 16 -3.250 9.512 0.154 159 H ILE 17 H ILE 17 -3.152 7.123 1.661 160 HA ILE 17 HA ILE 17 -3.241 5.254 3.703 161 HB ILE 17 HB ILE 17 -5.301 6.144 2.972 162 HG12 ILE 17 HG13 ILE 17 -5.140 3.529 3.422 163 HG13 ILE 17 HG12 ILE 17 -6.656 4.291 2.962 164 HG21 ILE 17 HG21 ILE 17 -6.205 5.834 0.693 165 HG22 ILE 17 HG22 ILE 17 -4.665 5.116 0.218 166 HG23 ILE 17 HG23 ILE 17 -4.729 6.798 0.744 167 HD11 ILE 17 HD11 ILE 17 -6.410 3.543 0.696 168 HD12 ILE 17 HD12 ILE 17 -6.190 2.164 1.773 169 HD13 ILE 17 HD13 ILE 17 -4.789 2.935 1.029 170 H THR 18 H THR 18 -2.325 4.903 0.373 171 HA THR 18 HA THR 18 -2.394 2.140 0.074 172 HB THR 18 HB THR 18 -0.451 4.116 -1.125 173 HG1 THR 18 HG1 THR 18 -3.082 3.306 -1.730 174 HG21 THR 18 HG21 THR 18 -1.237 1.350 -2.040 175 HG22 THR 18 HG22 THR 18 0.317 1.797 -1.339 176 HG23 THR 18 HG23 THR 18 -0.170 2.461 -2.898 177 H SER 19 H SER 19 0.443 4.136 0.838 178 HA SER 19 HA SER 19 1.950 1.823 1.644 179 HB2 SER 19 HB3 SER 19 3.745 3.519 2.029 180 HB3 SER 19 HB2 SER 19 3.055 3.591 0.412 181 HG SER 19 HG SER 19 3.011 5.452 2.422 182 H HIS 20 H HIS 20 -0.344 2.206 3.182 183 HA HIS 20 HA HIS 20 0.227 3.412 5.708 184 HB2 HIS 20 HB3 HIS 20 -2.083 2.909 4.784 185 HB3 HIS 20 HB2 HIS 20 -1.765 1.209 5.101 186 HD1 HIS 20 HD1 HIS 20 -2.254 4.480 6.922 187 HD2 HIS 20 HD2 HIS 20 -2.212 0.396 7.687 188 HE1 HIS 20 HE1 HIS 20 -3.085 4.228 9.279 189 HE2 HIS 20 HE2 HIS 20 -3.167 1.742 9.679 190 H ILE 21 H ILE 21 -0.161 0.030 4.737 191 HA ILE 21 HA ILE 21 2.281 -0.612 6.231 192 HB ILE 21 HB ILE 21 1.388 -2.854 6.736 193 HG12 ILE 21 HG13 ILE 21 -1.301 -1.791 5.854 194 HG13 ILE 21 HG12 ILE 21 -0.295 -2.845 4.866 195 HG21 ILE 21 HG21 ILE 21 -0.165 -2.206 8.532 196 HG22 ILE 21 HG22 ILE 21 -0.295 -0.599 7.817 197 HG23 ILE 21 HG23 ILE 21 1.251 -1.157 8.453 198 HD11 ILE 21 HD11 ILE 21 -1.436 -3.526 7.565 199 HD12 ILE 21 HD12 ILE 21 -0.440 -4.582 6.564 200 HD13 ILE 21 HD13 ILE 21 -2.039 -4.089 6.006 201 H ASP 22 H ASP 22 3.509 -2.311 5.206 202 HA ASP 22 HA ASP 22 2.745 -2.675 2.388 203 HB2 ASP 22 HB3 ASP 22 5.573 -2.388 3.427 204 HB3 ASP 22 HB2 ASP 22 5.077 -2.533 1.747 205 H LYS 23 H LYS 23 4.249 -4.467 1.410 206 HA LYS 23 HA LYS 23 3.832 -6.950 2.463 207 HB2 LYS 23 HB3 LYS 23 5.702 -7.770 1.121 208 HB3 LYS 23 HB2 LYS 23 4.756 -6.602 0.220 209 HG2 LYS 23 HG3 LYS 23 7.439 -6.128 1.513 210 HG3 LYS 23 HG2 LYS 23 7.109 -6.285 -0.212 211 HD2 LYS 23 HD3 LYS 23 5.572 -4.280 0.061 212 HD3 LYS 23 HD2 LYS 23 6.302 -4.070 1.649 213 HE2 LYS 23 HE3 LYS 23 7.619 -3.900 -1.038 214 HE3 LYS 23 HE2 LYS 23 7.425 -2.631 0.167 215 HZ1 LYS 23 HZ1 LYS 23 9.674 -3.487 0.145 216 HZ2 LYS 23 HZ2 LYS 23 9.121 -5.052 0.448 217 HZ3 LYS 23 HZ3 LYS 23 8.939 -3.845 1.619 218 H VAL 24 H VAL 24 6.501 -4.775 3.200 219 HA VAL 24 HA VAL 24 6.732 -6.147 5.775 220 HB VAL 24 HB VAL 24 9.074 -5.008 4.236 221 HG11 VAL 24 HG11 VAL 24 9.295 -4.612 6.622 222 HG12 VAL 24 HG12 VAL 24 10.432 -5.855 6.100 223 HG13 VAL 24 HG13 VAL 24 8.957 -6.311 6.952 224 HG21 VAL 24 HG21 VAL 24 9.911 -7.315 4.214 225 HG22 VAL 24 HG22 VAL 24 8.380 -7.164 3.352 226 HG23 VAL 24 HG23 VAL 24 8.413 -7.856 4.973 227 H LEU 25 H LEU 25 8.275 -3.242 4.384 228 HA LEU 25 HA LEU 25 6.438 -1.372 5.380 229 HB2 LEU 25 HB3 LEU 25 7.336 -2.190 7.568 230 HB3 LEU 25 HB2 LEU 25 8.922 -1.625 7.081 231 HG LEU 25 HG LEU 25 7.954 0.688 6.903 232 HD11 LEU 25 HD11 LEU 25 5.614 0.074 6.663 233 HD12 LEU 25 HD12 LEU 25 5.850 1.127 8.058 234 HD13 LEU 25 HD13 LEU 25 5.614 -0.605 8.293 235 HD21 LEU 25 HD21 LEU 25 7.953 1.072 9.320 236 HD22 LEU 25 HD22 LEU 25 9.270 0.011 8.825 237 HD23 LEU 25 HD23 LEU 25 7.833 -0.665 9.592 238 H ARG 26 H ARG 26 6.899 -0.577 3.248 239 HA ARG 26 HA ARG 26 9.072 1.280 3.197 240 HB2 ARG 26 HB3 ARG 26 10.373 -0.547 2.468 241 HB3 ARG 26 HB2 ARG 26 9.076 -1.196 1.482 242 HG2 ARG 26 HG3 ARG 26 10.070 1.469 0.716 243 HG3 ARG 26 HG2 ARG 26 11.184 0.116 0.491 244 HD2 ARG 26 HD3 ARG 26 9.656 -1.030 -0.904 245 HD3 ARG 26 HD2 ARG 26 8.329 0.054 -0.454 246 HE ARG 26 HE ARG 26 10.051 1.751 -1.609 247 HH11 ARG 26 HH11 ARG 26 8.918 -1.390 -2.648 248 HH12 ARG 26 HH12 ARG 26 9.061 -1.024 -4.334 249 HH21 ARG 26 HH22 ARG 26 10.245 2.234 -3.844 250 HH22 ARG 26 HH21 ARG 26 9.806 1.030 -5.015 251 HA PRO 27 HA PRO 27 5.477 3.037 0.949 252 HB2 PRO 27 HB2 PRO 27 7.132 5.415 1.684 253 HB3 PRO 27 HB3 PRO 27 5.372 5.188 1.782 254 HG2 PRO 27 HG3 PRO 27 6.811 5.098 3.995 255 HG3 PRO 27 HG2 PRO 27 5.517 3.904 3.730 256 HD2 PRO 27 HD3 PRO 27 8.491 3.585 3.377 257 HD3 PRO 27 HD2 PRO 27 7.327 2.482 4.144 258 H GLN 28 H GLN 28 5.669 4.757 -0.897 259 HA GLN 28 HA GLN 28 8.007 4.703 -2.454 260 HB2 GLN 28 HB3 GLN 28 7.172 2.997 -4.137 261 HB3 GLN 28 HB2 GLN 28 7.774 2.354 -2.619 262 HG2 GLN 28 HG3 GLN 28 5.372 2.287 -1.838 263 HG3 GLN 28 HG2 GLN 28 4.916 2.616 -3.509 264 HE21 GLN 28 HE22 GLN 28 6.221 0.310 -1.285 265 HE22 GLN 28 HE21 GLN 28 6.170 -1.063 -2.352 266 H GLY 29 H GLY 29 7.372 6.788 -2.818 267 HA2 GLY 29 HA3 GLY 29 6.453 7.683 -5.079 268 HA3 GLY 29 HA2 GLY 29 4.915 7.220 -4.361 Start of MODEL 13 1 H1 ARG 1 H1 ARG 1 -9.164 4.116 1.317 2 H2 ARG 1 H2 ARG 1 -10.632 3.330 1.620 3 H3 ARG 1 H3 ARG 1 -10.582 4.654 0.572 4 HA ARG 1 HA ARG 1 -10.764 2.534 -0.593 5 HB2 ARG 1 HB3 ARG 1 -8.252 4.163 -0.986 6 HB3 ARG 1 HB2 ARG 1 -8.762 2.906 -2.104 7 HG2 ARG 1 HG3 ARG 1 -10.368 5.353 -1.394 8 HG3 ARG 1 HG2 ARG 1 -9.404 5.148 -2.856 9 HD2 ARG 1 HD3 ARG 1 -10.791 3.319 -3.576 10 HD3 ARG 1 HD2 ARG 1 -11.681 3.341 -2.058 11 HE ARG 1 HE ARG 1 -11.859 5.854 -3.361 12 HH11 ARG 1 HH12 ARG 1 -13.055 2.569 -3.532 13 HH12 ARG 1 HH11 ARG 1 -14.566 3.017 -4.252 14 HH21 ARG 1 HH21 ARG 1 -13.865 6.453 -4.307 15 HH22 ARG 1 HH22 ARG 1 -15.028 5.222 -4.686 16 H LYS 2 H LYS 2 -10.624 0.590 0.360 17 HA LYS 2 HA LYS 2 -7.927 -0.370 1.049 18 HB2 LYS 2 HB3 LYS 2 -10.590 -1.218 2.205 19 HB3 LYS 2 HB2 LYS 2 -9.029 -1.920 2.615 20 HG2 LYS 2 HG3 LYS 2 -8.309 0.030 3.692 21 HG3 LYS 2 HG2 LYS 2 -9.598 1.004 2.989 22 HD2 LYS 2 HD3 LYS 2 -10.090 0.564 5.311 23 HD3 LYS 2 HD2 LYS 2 -11.240 -0.307 4.299 24 HE2 LYS 2 HE3 LYS 2 -9.996 -2.364 4.614 25 HE3 LYS 2 HE2 LYS 2 -8.770 -1.507 5.547 26 HZ1 LYS 2 HZ1 LYS 2 -11.624 -1.792 6.319 27 HZ2 LYS 2 HZ2 LYS 2 -10.424 -1.012 7.219 28 HZ3 LYS 2 HZ3 LYS 2 -10.342 -2.678 6.969 29 H CYS 3 H CYS 3 -7.798 -0.851 -1.252 30 HA CYS 3 HA CYS 3 -9.429 -2.996 -2.303 31 HB2 CYS 3 HB3 CYS 3 -6.973 -2.343 -3.761 32 HB3 CYS 3 HB2 CYS 3 -8.641 -2.340 -4.318 33 H ASN 4 H ASN 4 -7.945 -3.597 0.071 34 HA ASN 4 HA ASN 4 -6.628 -5.175 0.998 35 HB2 ASN 4 HB3 ASN 4 -6.948 -6.482 -1.713 36 HB3 ASN 4 HB2 ASN 4 -6.220 -7.268 -0.317 37 HD21 ASN 4 HD22 ASN 4 -7.513 -7.929 1.374 38 HD22 ASN 4 HD21 ASN 4 -9.235 -8.002 1.251 39 H PHE 5 H PHE 5 -4.932 -6.561 -1.438 40 HA PHE 5 HA PHE 5 -2.514 -5.244 -0.651 41 HB2 PHE 5 HB3 PHE 5 -1.547 -6.852 -2.424 42 HB3 PHE 5 HB2 PHE 5 -2.236 -7.533 -0.958 43 HD1 PHE 5 HD2 PHE 5 -2.789 -6.989 -4.558 44 HD2 PHE 5 HD1 PHE 5 -4.182 -8.902 -1.024 45 HE1 PHE 5 HE2 PHE 5 -4.299 -8.377 -5.909 46 HE2 PHE 5 HE1 PHE 5 -5.694 -10.294 -2.371 47 HZ PHE 5 HZ PHE 5 -5.756 -10.033 -4.818 48 H LEU 6 H LEU 6 -1.017 -4.199 -2.058 49 HA LEU 6 HA LEU 6 -0.470 -2.545 -3.479 50 HB2 LEU 6 HB3 LEU 6 -2.380 -4.032 -5.280 51 HB3 LEU 6 HB2 LEU 6 -1.466 -2.636 -5.807 52 HG LEU 6 HG LEU 6 -0.216 -4.410 -6.613 53 HD11 LEU 6 HD11 LEU 6 1.023 -3.923 -3.913 54 HD12 LEU 6 HD12 LEU 6 1.161 -2.849 -5.306 55 HD13 LEU 6 HD13 LEU 6 1.839 -4.474 -5.377 56 HD21 LEU 6 HD21 LEU 6 -1.367 -6.244 -5.616 57 HD22 LEU 6 HD22 LEU 6 -0.738 -5.838 -4.019 58 HD23 LEU 6 HD23 LEU 6 0.353 -6.419 -5.276 59 H CYS 7 H CYS 7 -2.391 -2.019 -1.538 60 HA CYS 7 HA CYS 7 -3.557 0.360 -2.568 61 HB2 CYS 7 HB3 CYS 7 -5.201 -1.248 -3.463 62 HB3 CYS 7 HB2 CYS 7 -5.523 -1.812 -1.826 63 H LYS 8 H LYS 8 -3.494 -2.033 0.066 64 HA LYS 8 HA LYS 8 -2.776 0.143 1.848 65 HB2 LYS 8 HB3 LYS 8 -5.257 0.020 1.983 66 HB3 LYS 8 HB2 LYS 8 -5.128 -1.668 2.446 67 HG2 LYS 8 HG3 LYS 8 -4.021 -1.056 4.508 68 HG3 LYS 8 HG2 LYS 8 -4.027 0.645 4.029 69 HD2 LYS 8 HD3 LYS 8 -6.483 0.602 3.973 70 HD3 LYS 8 HD2 LYS 8 -6.458 -1.078 4.501 71 HE2 LYS 8 HE3 LYS 8 -5.307 1.231 6.056 72 HE3 LYS 8 HE2 LYS 8 -6.905 0.541 6.325 73 HZ1 LYS 8 HZ1 LYS 8 -4.307 -0.852 6.653 74 HZ2 LYS 8 HZ2 LYS 8 -5.822 -1.590 6.813 75 HZ3 LYS 8 HZ3 LYS 8 -5.357 -0.370 7.886 76 H LEU 9 H LEU 9 -3.482 -3.255 1.399 77 HA LEU 9 HA LEU 9 -1.874 -4.183 3.584 78 HB2 LEU 9 HB3 LEU 9 -3.221 -5.504 1.251 79 HB3 LEU 9 HB2 LEU 9 -2.325 -6.409 2.467 80 HG LEU 9 HG LEU 9 -4.684 -4.641 3.110 81 HD11 LEU 9 HD11 LEU 9 -4.607 -7.626 2.720 82 HD12 LEU 9 HD12 LEU 9 -5.331 -6.453 1.616 83 HD13 LEU 9 HD13 LEU 9 -6.000 -6.670 3.235 84 HD21 LEU 9 HD21 LEU 9 -3.238 -6.767 4.689 85 HD22 LEU 9 HD22 LEU 9 -4.695 -5.921 5.208 86 HD23 LEU 9 HD23 LEU 9 -3.191 -5.029 4.985 87 H LYS 10 H LYS 10 -1.490 -4.017 0.077 88 HA LYS 10 HA LYS 10 1.393 -4.267 0.546 89 HB2 LYS 10 HB3 LYS 10 0.111 -6.191 -0.768 90 HB3 LYS 10 HB2 LYS 10 0.251 -5.058 -2.103 91 HG2 LYS 10 HG3 LYS 10 2.663 -5.013 -1.840 92 HG3 LYS 10 HG2 LYS 10 2.536 -6.129 -0.480 93 HD2 LYS 10 HD3 LYS 10 1.793 -6.673 -3.352 94 HD3 LYS 10 HD2 LYS 10 3.151 -7.361 -2.460 95 HE2 LYS 10 HE3 LYS 10 1.523 -8.407 -0.904 96 HE3 LYS 10 HE2 LYS 10 0.219 -7.805 -1.927 97 HZ1 LYS 10 HZ1 LYS 10 2.325 -9.752 -2.689 98 HZ2 LYS 10 HZ2 LYS 10 1.207 -9.092 -3.773 99 HZ3 LYS 10 HZ3 LYS 10 0.677 -10.062 -2.497 100 H GLU 11 H GLU 11 2.569 -3.204 -1.433 101 HA GLU 11 HA GLU 11 1.120 -0.754 -2.147 102 HB2 GLU 11 HB3 GLU 11 2.783 -0.854 0.005 103 HB3 GLU 11 HB2 GLU 11 3.921 -0.464 -1.259 104 HG2 GLU 11 HG3 GLU 11 1.473 1.129 -0.557 105 HG3 GLU 11 HG2 GLU 11 3.115 1.505 -0.069 106 H LYS 12 H LYS 12 2.416 0.517 -3.750 107 HA LYS 12 HA LYS 12 4.229 -1.137 -5.340 108 HB2 LYS 12 HB3 LYS 12 3.077 -0.418 -7.424 109 HB3 LYS 12 HB2 LYS 12 2.096 -1.456 -6.414 110 HG2 LYS 12 HG3 LYS 12 1.836 1.525 -6.434 111 HG3 LYS 12 HG2 LYS 12 0.955 0.473 -7.537 112 HD2 LYS 12 HD3 LYS 12 0.163 -0.739 -5.400 113 HD3 LYS 12 HD2 LYS 12 0.701 0.724 -4.555 114 HE2 LYS 12 HE3 LYS 12 -1.466 1.294 -5.013 115 HE3 LYS 12 HE2 LYS 12 -0.634 1.904 -6.444 116 HZ1 LYS 12 HZ1 LYS 12 -2.139 -0.639 -6.244 117 HZ2 LYS 12 HZ2 LYS 12 -1.234 -0.160 -7.592 118 HZ3 LYS 12 HZ3 LYS 12 -2.586 0.736 -7.117 119 H LEU 13 H LEU 13 2.765 2.100 -5.045 120 HA LEU 13 HA LEU 13 5.120 3.511 -4.673 121 HB2 LEU 13 HB3 LEU 13 5.497 2.645 -7.063 122 HB3 LEU 13 HB2 LEU 13 4.229 3.754 -7.544 123 HG LEU 13 HG LEU 13 5.573 5.646 -6.705 124 HD11 LEU 13 HD11 LEU 13 7.941 5.259 -6.145 125 HD12 LEU 13 HD12 LEU 13 7.651 3.521 -6.185 126 HD13 LEU 13 HD13 LEU 13 6.845 4.523 -4.978 127 HD21 LEU 13 HD21 LEU 13 7.259 5.603 -8.466 128 HD22 LEU 13 HD22 LEU 13 5.718 4.976 -9.052 129 HD23 LEU 13 HD23 LEU 13 7.028 3.865 -8.657 130 H ARG 14 H ARG 14 2.417 3.464 -3.807 131 HA ARG 14 HA ARG 14 1.018 5.664 -5.057 132 HB2 ARG 14 HB3 ARG 14 0.389 3.578 -3.101 133 HB3 ARG 14 HB2 ARG 14 -0.393 5.119 -2.792 134 HG2 ARG 14 HG3 ARG 14 -0.580 3.506 -5.321 135 HG3 ARG 14 HG2 ARG 14 -1.821 3.671 -4.076 136 HD2 ARG 14 HD3 ARG 14 -1.956 6.066 -4.527 137 HD3 ARG 14 HD2 ARG 14 -0.722 5.907 -5.774 138 HE ARG 14 HE ARG 14 -2.700 4.141 -6.487 139 HH11 ARG 14 HH11 ARG 14 -2.485 7.576 -5.881 140 HH12 ARG 14 HH12 ARG 14 -3.741 7.989 -7.002 141 HH21 ARG 14 HH22 ARG 14 -4.348 4.672 -7.988 142 HH22 ARG 14 HH21 ARG 14 -4.800 6.333 -8.207 143 H THR 15 H THR 15 2.730 5.080 -2.028 144 HA THR 15 HA THR 15 3.221 6.375 -0.257 145 HB THR 15 HB THR 15 4.895 7.227 -1.745 146 HG1 THR 15 HG1 THR 15 4.429 8.303 0.364 147 HG21 THR 15 HG21 THR 15 3.339 8.032 -3.548 148 HG22 THR 15 HG22 THR 15 4.678 9.109 -3.165 149 HG23 THR 15 HG23 THR 15 3.062 9.470 -2.565 150 H VAL 16 H VAL 16 1.113 6.176 0.468 151 HA VAL 16 HA VAL 16 -0.315 8.484 1.139 152 HB VAL 16 HB VAL 16 -0.702 8.336 -1.393 153 HG11 VAL 16 HG11 VAL 16 -1.173 5.766 -1.099 154 HG12 VAL 16 HG12 VAL 16 -1.951 6.715 -2.370 155 HG13 VAL 16 HG13 VAL 16 -2.831 6.335 -0.891 156 HG21 VAL 16 HG21 VAL 16 -2.050 9.765 0.002 157 HG22 VAL 16 HG22 VAL 16 -3.100 8.418 0.431 158 HG23 VAL 16 HG23 VAL 16 -3.058 9.006 -1.228 159 H ILE 17 H ILE 17 -2.963 6.948 0.958 160 HA ILE 17 HA ILE 17 -2.828 5.599 3.408 161 HB ILE 17 HB ILE 17 -4.928 6.467 2.562 162 HG12 ILE 17 HG13 ILE 17 -4.819 4.309 4.033 163 HG13 ILE 17 HG12 ILE 17 -6.356 4.818 3.351 164 HG21 ILE 17 HG21 ILE 17 -4.697 4.405 0.385 165 HG22 ILE 17 HG22 ILE 17 -4.641 6.159 0.206 166 HG23 ILE 17 HG23 ILE 17 -6.134 5.371 0.711 167 HD11 ILE 17 HD11 ILE 17 -6.118 2.440 3.149 168 HD12 ILE 17 HD12 ILE 17 -4.572 2.620 2.318 169 HD13 ILE 17 HD13 ILE 17 -6.061 3.166 1.545 170 H THR 18 H THR 18 -2.405 4.508 0.114 171 HA THR 18 HA THR 18 -2.407 1.759 0.409 172 HB THR 18 HB THR 18 -0.485 3.317 -1.335 173 HG1 THR 18 HG1 THR 18 -2.715 2.668 -2.647 174 HG21 THR 18 HG21 THR 18 -1.875 0.658 -1.716 175 HG22 THR 18 HG22 THR 18 -0.182 0.884 -1.302 176 HG23 THR 18 HG23 THR 18 -0.782 1.428 -2.866 177 H SER 19 H SER 19 0.332 3.985 0.598 178 HA SER 19 HA SER 19 2.183 2.016 1.473 179 HB2 SER 19 HB3 SER 19 2.495 5.006 1.680 180 HB3 SER 19 HB2 SER 19 3.751 3.798 1.446 181 HG SER 19 HG SER 19 3.105 3.483 -0.621 182 H HIS 20 H HIS 20 0.195 1.709 3.252 183 HA HIS 20 HA HIS 20 1.194 3.026 5.693 184 HB2 HIS 20 HB3 HIS 20 -1.486 1.924 4.964 185 HB3 HIS 20 HB2 HIS 20 -1.001 1.936 6.656 186 HD1 HIS 20 HD1 HIS 20 -2.728 3.727 7.320 187 HD2 HIS 20 HD2 HIS 20 -0.087 4.953 4.353 188 HE1 HIS 20 HE1 HIS 20 -3.055 6.210 7.106 189 HE2 HIS 20 HE2 HIS 20 -1.310 6.949 5.443 190 H ILE 21 H ILE 21 -0.220 -0.158 4.844 191 HA ILE 21 HA ILE 21 1.914 -1.348 6.486 192 HB ILE 21 HB ILE 21 0.263 -3.237 6.933 193 HG12 ILE 21 HG13 ILE 21 -1.742 -1.084 6.216 194 HG13 ILE 21 HG12 ILE 21 -1.415 -2.512 5.241 195 HG21 ILE 21 HG21 ILE 21 0.994 -1.724 8.664 196 HG22 ILE 21 HG22 ILE 21 -0.730 -2.046 8.851 197 HG23 ILE 21 HG23 ILE 21 -0.189 -0.519 8.155 198 HD11 ILE 21 HD11 ILE 21 -2.548 -2.470 8.027 199 HD12 ILE 21 HD12 ILE 21 -2.167 -3.923 7.104 200 HD13 ILE 21 HD13 ILE 21 -3.422 -2.822 6.537 201 H ASP 22 H ASP 22 3.011 -1.369 4.416 202 HA ASP 22 HA ASP 22 1.951 -2.808 2.189 203 HB2 ASP 22 HB3 ASP 22 3.985 -2.265 1.078 204 HB3 ASP 22 HB2 ASP 22 3.602 -0.891 2.096 205 H LYS 23 H LYS 23 4.148 -4.213 1.250 206 HA LYS 23 HA LYS 23 3.983 -6.651 2.734 207 HB2 LYS 23 HB3 LYS 23 5.903 -7.229 0.972 208 HB3 LYS 23 HB2 LYS 23 4.200 -7.224 0.548 209 HG2 LYS 23 HG3 LYS 23 5.532 -6.111 -1.146 210 HG3 LYS 23 HG2 LYS 23 4.427 -4.976 -0.374 211 HD2 LYS 23 HD3 LYS 23 6.338 -4.276 1.097 212 HD3 LYS 23 HD2 LYS 23 7.389 -5.262 0.076 213 HE2 LYS 23 HE3 LYS 23 5.617 -3.083 -0.996 214 HE3 LYS 23 HE2 LYS 23 7.276 -2.796 -0.482 215 HZ1 LYS 23 HZ1 LYS 23 7.979 -4.481 -2.126 216 HZ2 LYS 23 HZ2 LYS 23 7.204 -3.160 -2.843 217 HZ3 LYS 23 HZ3 LYS 23 6.380 -4.621 -2.648 218 H VAL 24 H VAL 24 5.363 -4.112 3.777 219 HA VAL 24 HA VAL 24 6.873 -3.752 5.424 220 HB VAL 24 HB VAL 24 7.644 -6.672 5.255 221 HG11 VAL 24 HG11 VAL 24 9.241 -5.308 6.484 222 HG12 VAL 24 HG12 VAL 24 8.350 -6.360 7.585 223 HG13 VAL 24 HG13 VAL 24 7.939 -4.650 7.475 224 HG21 VAL 24 HG21 VAL 24 5.528 -5.358 6.958 225 HG22 VAL 24 HG22 VAL 24 6.062 -7.033 7.097 226 HG23 VAL 24 HG23 VAL 24 5.248 -6.485 5.631 227 H LEU 25 H LEU 25 7.573 -2.845 3.114 228 HA LEU 25 HA LEU 25 10.466 -3.342 3.079 229 HB2 LEU 25 HB3 LEU 25 8.852 -4.149 1.074 230 HB3 LEU 25 HB2 LEU 25 9.197 -2.515 0.548 231 HG LEU 25 HG LEU 25 11.276 -4.619 1.145 232 HD11 LEU 25 HD11 LEU 25 9.786 -5.003 -0.826 233 HD12 LEU 25 HD12 LEU 25 11.508 -4.877 -1.192 234 HD13 LEU 25 HD13 LEU 25 10.433 -3.515 -1.519 235 HD21 LEU 25 HD21 LEU 25 11.550 -1.881 -0.098 236 HD22 LEU 25 HD22 LEU 25 12.840 -3.065 0.108 237 HD23 LEU 25 HD23 LEU 25 12.083 -2.331 1.523 238 H ARG 26 H ARG 26 8.001 -1.107 1.734 239 HA ARG 26 HA ARG 26 9.360 1.126 2.947 240 HB2 ARG 26 HB3 ARG 26 9.439 2.230 0.532 241 HB3 ARG 26 HB2 ARG 26 10.785 1.319 1.192 242 HG2 ARG 26 HG3 ARG 26 10.598 0.534 -0.983 243 HG3 ARG 26 HG2 ARG 26 9.778 -0.697 -0.031 244 HD2 ARG 26 HD3 ARG 26 8.520 -0.197 -2.043 245 HD3 ARG 26 HD2 ARG 26 7.611 0.308 -0.619 246 HE ARG 26 HE ARG 26 9.206 2.399 -1.792 247 HH11 ARG 26 HH11 ARG 26 6.146 0.731 -1.916 248 HH12 ARG 26 HH12 ARG 26 5.266 2.100 -2.529 249 HH21 ARG 26 HH22 ARG 26 8.093 4.195 -2.639 250 HH22 ARG 26 HH21 ARG 26 6.398 4.061 -2.988 251 HA PRO 27 HA PRO 27 4.927 2.086 2.257 252 HB2 PRO 27 HB2 PRO 27 4.127 2.197 4.824 253 HB3 PRO 27 HB3 PRO 27 4.173 0.670 3.920 254 HG2 PRO 27 HG3 PRO 27 6.061 1.720 5.970 255 HG3 PRO 27 HG2 PRO 27 5.532 0.058 5.664 256 HD2 PRO 27 HD3 PRO 27 7.943 1.178 4.816 257 HD3 PRO 27 HD2 PRO 27 7.211 -0.300 4.166 258 H GLN 28 H GLN 28 6.027 4.036 1.553 259 HA GLN 28 HA GLN 28 6.860 5.976 3.527 260 HB2 GLN 28 HB3 GLN 28 7.445 7.363 1.549 261 HB3 GLN 28 HB2 GLN 28 8.202 5.776 1.530 262 HG2 GLN 28 HG3 GLN 28 6.641 4.983 -0.102 263 HG3 GLN 28 HG2 GLN 28 5.699 6.468 0.016 264 HE21 GLN 28 HE22 GLN 28 6.517 8.363 -0.880 265 HE22 GLN 28 HE21 GLN 28 7.772 8.341 -2.070 266 H GLY 29 H GLY 29 4.230 5.407 3.879 267 HA2 GLY 29 HA3 GLY 29 3.024 8.012 3.203 268 HA3 GLY 29 HA2 GLY 29 2.091 6.534 3.009 Start of MODEL 14 1 H1 ARG 1 H1 ARG 1 -9.797 3.906 3.087 2 H2 ARG 1 H2 ARG 1 -9.780 3.416 4.704 3 H3 ARG 1 H3 ARG 1 -11.172 4.111 4.047 4 HA ARG 1 HA ARG 1 -11.387 1.710 4.268 5 HB2 ARG 1 HB3 ARG 1 -12.518 3.004 2.426 6 HB3 ARG 1 HB2 ARG 1 -11.176 2.581 1.374 7 HG2 ARG 1 HG3 ARG 1 -12.920 1.073 0.884 8 HG3 ARG 1 HG2 ARG 1 -11.727 0.168 1.819 9 HD2 ARG 1 HD3 ARG 1 -13.109 0.648 3.861 10 HD3 ARG 1 HD2 ARG 1 -14.344 1.304 2.790 11 HE ARG 1 HE ARG 1 -13.641 -1.290 1.945 12 HH11 ARG 1 HH12 ARG 1 -15.371 0.362 4.496 13 HH12 ARG 1 HH11 ARG 1 -16.397 -0.992 4.851 14 HH21 ARG 1 HH21 ARG 1 -14.977 -3.087 2.424 15 HH22 ARG 1 HH22 ARG 1 -16.171 -2.953 3.677 16 H LYS 2 H LYS 2 -10.511 -0.344 3.949 17 HA LYS 2 HA LYS 2 -7.821 -0.407 2.786 18 HB2 LYS 2 HB3 LYS 2 -9.269 -2.594 4.292 19 HB3 LYS 2 HB2 LYS 2 -7.595 -2.633 3.758 20 HG2 LYS 2 HG3 LYS 2 -7.238 -2.046 5.907 21 HG3 LYS 2 HG2 LYS 2 -7.488 -0.429 5.247 22 HD2 LYS 2 HD3 LYS 2 -8.826 -0.474 7.160 23 HD3 LYS 2 HD2 LYS 2 -9.956 -0.771 5.843 24 HE2 LYS 2 HE3 LYS 2 -8.712 -2.912 7.567 25 HE3 LYS 2 HE2 LYS 2 -10.316 -2.234 7.816 26 HZ1 LYS 2 HZ1 LYS 2 -9.387 -3.827 5.493 27 HZ2 LYS 2 HZ2 LYS 2 -10.884 -3.043 5.556 28 HZ3 LYS 2 HZ3 LYS 2 -10.530 -4.275 6.651 29 H CYS 3 H CYS 3 -7.296 -2.138 1.278 30 HA CYS 3 HA CYS 3 -9.598 -3.110 -0.247 31 HB2 CYS 3 HB3 CYS 3 -7.495 -2.353 -2.049 32 HB3 CYS 3 HB2 CYS 3 -9.166 -1.801 -2.010 33 H ASN 4 H ASN 4 -8.325 -4.354 -2.291 34 HA ASN 4 HA ASN 4 -7.345 -6.650 -0.795 35 HB2 ASN 4 HB3 ASN 4 -8.177 -6.368 -3.689 36 HB3 ASN 4 HB2 ASN 4 -7.677 -7.877 -2.934 37 HD21 ASN 4 HD22 ASN 4 -10.170 -5.495 -3.206 38 HD22 ASN 4 HD21 ASN 4 -11.395 -6.392 -2.381 39 H PHE 5 H PHE 5 -5.341 -5.365 -0.424 40 HA PHE 5 HA PHE 5 -3.175 -4.922 -0.709 41 HB2 PHE 5 HB3 PHE 5 -3.218 -7.074 -2.802 42 HB3 PHE 5 HB2 PHE 5 -1.862 -6.530 -1.852 43 HD1 PHE 5 HD1 PHE 5 -1.668 -7.108 0.516 44 HD2 PHE 5 HD2 PHE 5 -4.799 -8.636 -1.921 45 HE1 PHE 5 HE1 PHE 5 -2.127 -8.836 2.199 46 HE2 PHE 5 HE2 PHE 5 -5.266 -10.370 -0.241 47 HZ PHE 5 HZ PHE 5 -3.949 -10.462 1.827 48 H LEU 6 H LEU 6 -1.443 -4.357 -2.363 49 HA LEU 6 HA LEU 6 -0.750 -2.744 -3.798 50 HB2 LEU 6 HB3 LEU 6 -2.834 -4.016 -5.577 51 HB3 LEU 6 HB2 LEU 6 -1.550 -2.956 -6.118 52 HG LEU 6 HG LEU 6 -0.782 -5.074 -6.667 53 HD11 LEU 6 HD11 LEU 6 0.419 -4.470 -3.960 54 HD12 LEU 6 HD12 LEU 6 0.952 -3.857 -5.531 55 HD13 LEU 6 HD13 LEU 6 1.087 -5.576 -5.168 56 HD21 LEU 6 HD21 LEU 6 -2.443 -6.405 -5.550 57 HD22 LEU 6 HD22 LEU 6 -1.726 -6.042 -3.981 58 HD23 LEU 6 HD23 LEU 6 -0.836 -7.011 -5.152 59 H CYS 7 H CYS 7 -2.563 -1.827 -1.954 60 HA CYS 7 HA CYS 7 -3.740 0.430 -3.253 61 HB2 CYS 7 HB3 CYS 7 -5.463 -1.197 -3.809 62 HB3 CYS 7 HB2 CYS 7 -5.602 -1.682 -2.121 63 H LYS 8 H LYS 8 -3.316 -1.538 -0.396 64 HA LYS 8 HA LYS 8 -2.616 0.744 1.155 65 HB2 LYS 8 HB3 LYS 8 -5.097 0.845 1.321 66 HB3 LYS 8 HB2 LYS 8 -5.097 -0.783 1.988 67 HG2 LYS 8 HG3 LYS 8 -3.965 -0.069 3.948 68 HG3 LYS 8 HG2 LYS 8 -3.640 1.518 3.255 69 HD2 LYS 8 HD3 LYS 8 -6.110 1.894 3.164 70 HD3 LYS 8 HD2 LYS 8 -6.306 0.389 4.063 71 HE2 LYS 8 HE3 LYS 8 -5.034 1.277 5.910 72 HE3 LYS 8 HE2 LYS 8 -4.682 2.745 5.003 73 HZ1 LYS 8 HZ1 LYS 8 -7.079 3.211 4.980 74 HZ2 LYS 8 HZ2 LYS 8 -6.443 3.157 6.546 75 HZ3 LYS 8 HZ3 LYS 8 -7.345 1.856 5.957 76 H LEU 9 H LEU 9 -3.551 -2.615 1.059 77 HA LEU 9 HA LEU 9 -1.931 -3.433 3.260 78 HB2 LEU 9 HB3 LEU 9 -3.454 -4.873 1.120 79 HB3 LEU 9 HB2 LEU 9 -2.372 -5.752 2.183 80 HG LEU 9 HG LEU 9 -3.695 -4.950 4.131 81 HD11 LEU 9 HD11 LEU 9 -5.585 -3.897 2.036 82 HD12 LEU 9 HD12 LEU 9 -4.620 -2.921 3.143 83 HD13 LEU 9 HD13 LEU 9 -5.891 -3.970 3.772 84 HD21 LEU 9 HD21 LEU 9 -5.256 -6.424 2.019 85 HD22 LEU 9 HD22 LEU 9 -5.615 -6.410 3.745 86 HD23 LEU 9 HD23 LEU 9 -4.119 -7.139 3.162 87 H LYS 10 H LYS 10 -1.621 -4.926 0.038 88 HA LYS 10 HA LYS 10 1.263 -4.683 0.203 89 HB2 LYS 10 HB3 LYS 10 -0.141 -6.611 -0.843 90 HB3 LYS 10 HB2 LYS 10 -0.262 -5.554 -2.239 91 HG2 LYS 10 HG3 LYS 10 1.829 -5.981 -2.894 92 HG3 LYS 10 HG2 LYS 10 2.464 -5.911 -1.247 93 HD2 LYS 10 HD3 LYS 10 2.716 -8.153 -2.163 94 HD3 LYS 10 HD2 LYS 10 1.581 -8.157 -0.815 95 HE2 LYS 10 HE3 LYS 10 0.579 -9.512 -2.444 96 HE3 LYS 10 HE2 LYS 10 -0.259 -7.964 -2.574 97 HZ1 LYS 10 HZ1 LYS 10 0.330 -8.893 -4.743 98 HZ2 LYS 10 HZ2 LYS 10 1.969 -8.867 -4.327 99 HZ3 LYS 10 HZ3 LYS 10 1.113 -7.419 -4.482 100 H GLU 11 H GLU 11 2.403 -3.715 -1.891 101 HA GLU 11 HA GLU 11 1.034 -1.156 -2.357 102 HB2 GLU 11 HB3 GLU 11 3.118 0.020 -2.083 103 HB3 GLU 11 HB2 GLU 11 2.772 -0.937 -0.651 104 HG2 GLU 11 HG3 GLU 11 5.005 -1.310 -0.969 105 HG3 GLU 11 HG2 GLU 11 4.285 -2.706 -1.754 106 H LYS 12 H LYS 12 1.935 0.140 -4.087 107 HA LYS 12 HA LYS 12 3.437 -1.152 -6.167 108 HB2 LYS 12 HB3 LYS 12 1.569 -0.431 -7.854 109 HB3 LYS 12 HB2 LYS 12 1.446 -1.972 -7.026 110 HG2 LYS 12 HG3 LYS 12 -0.706 -0.951 -7.018 111 HG3 LYS 12 HG2 LYS 12 -0.075 -0.903 -5.373 112 HD2 LYS 12 HD3 LYS 12 -1.136 1.194 -5.874 113 HD3 LYS 12 HD2 LYS 12 0.604 1.458 -5.750 114 HE2 LYS 12 HE3 LYS 12 0.733 1.334 -8.234 115 HE3 LYS 12 HE2 LYS 12 -1.023 1.212 -8.283 116 HZ1 LYS 12 HZ1 LYS 12 -1.163 3.375 -7.213 117 HZ2 LYS 12 HZ2 LYS 12 -0.287 3.472 -8.659 118 HZ3 LYS 12 HZ3 LYS 12 0.526 3.487 -7.176 119 H LEU 13 H LEU 13 3.929 0.954 -4.443 120 HA LEU 13 HA LEU 13 4.423 3.117 -4.153 121 HB2 LEU 13 HB3 LEU 13 5.575 4.238 -5.819 122 HB3 LEU 13 HB2 LEU 13 5.803 2.552 -6.219 123 HG LEU 13 HG LEU 13 3.777 2.991 -7.855 124 HD11 LEU 13 HD11 LEU 13 3.824 5.243 -8.795 125 HD12 LEU 13 HD12 LEU 13 4.966 5.746 -7.550 126 HD13 LEU 13 HD13 LEU 13 3.328 5.270 -7.103 127 HD21 LEU 13 HD21 LEU 13 6.007 2.291 -8.523 128 HD22 LEU 13 HD22 LEU 13 6.587 3.949 -8.377 129 HD23 LEU 13 HD23 LEU 13 5.394 3.537 -9.609 130 H ARG 14 H ARG 14 3.468 5.041 -3.789 131 HA ARG 14 HA ARG 14 1.403 6.095 -5.418 132 HB2 ARG 14 HB3 ARG 14 0.181 4.206 -4.325 133 HB3 ARG 14 HB2 ARG 14 0.480 4.975 -2.773 134 HG2 ARG 14 HG3 ARG 14 -1.776 5.418 -3.628 135 HG3 ARG 14 HG2 ARG 14 -0.832 6.893 -3.422 136 HD2 ARG 14 HD3 ARG 14 -0.420 7.038 -5.772 137 HD3 ARG 14 HD2 ARG 14 -1.129 5.448 -6.048 138 HE ARG 14 HE ARG 14 -3.246 6.583 -5.141 139 HH11 ARG 14 HH11 ARG 14 -0.794 8.192 -7.062 140 HH12 ARG 14 HH12 ARG 14 -1.909 9.322 -7.758 141 HH21 ARG 14 HH22 ARG 14 -4.714 8.056 -6.077 142 HH22 ARG 14 HH21 ARG 14 -4.137 9.242 -7.204 143 H THR 15 H THR 15 1.627 6.152 -1.839 144 HA THR 15 HA THR 15 3.062 8.535 -1.659 145 HB THR 15 HB THR 15 1.139 9.447 -2.915 146 HG1 THR 15 HG1 THR 15 2.408 10.637 -1.198 147 HG21 THR 15 HG21 THR 15 -1.015 9.787 -1.853 148 HG22 THR 15 HG22 THR 15 -0.467 8.913 -0.423 149 HG23 THR 15 HG23 THR 15 -0.649 8.067 -1.956 150 H VAL 16 H VAL 16 0.318 6.792 -0.220 151 HA VAL 16 HA VAL 16 1.415 6.747 2.403 152 HB VAL 16 HB VAL 16 -0.853 8.706 1.926 153 HG11 VAL 16 HG11 VAL 16 -1.348 7.237 3.833 154 HG12 VAL 16 HG12 VAL 16 -1.052 8.900 4.339 155 HG13 VAL 16 HG13 VAL 16 0.198 7.676 4.559 156 HG21 VAL 16 HG21 VAL 16 0.553 10.312 3.096 157 HG22 VAL 16 HG22 VAL 16 1.396 9.664 1.688 158 HG23 VAL 16 HG23 VAL 16 1.804 9.085 3.303 159 H ILE 17 H ILE 17 -1.772 6.949 0.792 160 HA ILE 17 HA ILE 17 -3.092 5.089 2.366 161 HB ILE 17 HB ILE 17 -4.437 6.424 0.975 162 HG12 ILE 17 HG13 ILE 17 -5.813 4.842 -0.287 163 HG13 ILE 17 HG12 ILE 17 -4.508 3.663 -0.260 164 HG21 ILE 17 HG21 ILE 17 -2.736 6.876 -0.753 165 HG22 ILE 17 HG22 ILE 17 -4.331 6.539 -1.422 166 HG23 ILE 17 HG23 ILE 17 -3.079 5.300 -1.464 167 HD11 ILE 17 HD11 ILE 17 -5.757 4.718 2.251 168 HD12 ILE 17 HD12 ILE 17 -4.769 3.272 2.035 169 HD13 ILE 17 HD13 ILE 17 -6.405 3.330 1.377 170 H THR 18 H THR 18 -1.755 4.417 -0.891 171 HA THR 18 HA THR 18 -2.000 1.618 -0.585 172 HB THR 18 HB THR 18 -0.178 3.128 -2.460 173 HG1 THR 18 HG1 THR 18 -2.932 2.756 -2.387 174 HG21 THR 18 HG21 THR 18 -1.358 0.354 -2.621 175 HG22 THR 18 HG22 THR 18 0.334 0.746 -2.307 176 HG23 THR 18 HG23 THR 18 -0.386 1.133 -3.869 177 H SER 19 H SER 19 0.641 3.908 -0.145 178 HA SER 19 HA SER 19 2.492 1.859 0.698 179 HB2 SER 19 HB3 SER 19 4.075 3.637 0.833 180 HB3 SER 19 HB2 SER 19 3.033 4.035 -0.537 181 HG SER 19 HG SER 19 2.597 5.032 2.068 182 H HIS 20 H HIS 20 0.271 1.637 2.325 183 HA HIS 20 HA HIS 20 0.726 3.272 4.696 184 HB2 HIS 20 HB3 HIS 20 -1.597 2.845 3.761 185 HB3 HIS 20 HB2 HIS 20 -1.440 1.199 4.369 186 HD1 HIS 20 HD1 HIS 20 -2.389 0.889 6.641 187 HD2 HIS 20 HD2 HIS 20 -1.124 4.794 6.005 188 HE1 HIS 20 HE1 HIS 20 -2.975 2.137 8.740 189 HE2 HIS 20 HE2 HIS 20 -2.019 4.444 8.405 190 H ILE 21 H ILE 21 -0.261 -0.153 4.615 191 HA ILE 21 HA ILE 21 1.697 -0.662 6.706 192 HB ILE 21 HB ILE 21 -0.508 -1.653 7.025 193 HG12 ILE 21 HG13 ILE 21 1.593 -3.755 6.457 194 HG13 ILE 21 HG12 ILE 21 1.467 -2.809 7.937 195 HG21 ILE 21 HG21 ILE 21 -1.180 -1.939 4.717 196 HG22 ILE 21 HG22 ILE 21 -1.319 -3.465 5.592 197 HG23 ILE 21 HG23 ILE 21 0.038 -3.197 4.498 198 HD11 ILE 21 HD11 ILE 21 -0.569 -4.777 6.918 199 HD12 ILE 21 HD12 ILE 21 -0.703 -3.828 8.398 200 HD13 ILE 21 HD13 ILE 21 0.569 -5.039 8.240 201 H ASP 22 H ASP 22 1.017 -1.479 3.378 202 HA ASP 22 HA ASP 22 2.435 -1.831 1.640 203 HB2 ASP 22 HB3 ASP 22 3.846 -0.197 3.127 204 HB3 ASP 22 HB2 ASP 22 4.798 -1.629 3.476 205 H LYS 23 H LYS 23 4.178 -3.416 0.861 206 HA LYS 23 HA LYS 23 3.988 -5.908 2.307 207 HB2 LYS 23 HB3 LYS 23 5.658 -6.662 0.483 208 HB3 LYS 23 HB2 LYS 23 4.006 -6.296 0.022 209 HG2 LYS 23 HG3 LYS 23 5.200 -5.264 -1.638 210 HG3 LYS 23 HG2 LYS 23 4.956 -3.940 -0.506 211 HD2 LYS 23 HD3 LYS 23 7.182 -4.235 0.379 212 HD3 LYS 23 HD2 LYS 23 7.435 -5.645 -0.652 213 HE2 LYS 23 HE3 LYS 23 6.894 -4.010 -2.583 214 HE3 LYS 23 HE2 LYS 23 7.252 -2.746 -1.403 215 HZ1 LYS 23 HZ1 LYS 23 9.451 -3.653 -1.120 216 HZ2 LYS 23 HZ2 LYS 23 9.181 -3.400 -2.772 217 HZ3 LYS 23 HZ3 LYS 23 9.102 -4.961 -2.131 218 H VAL 24 H VAL 24 6.157 -3.230 2.093 219 HA VAL 24 HA VAL 24 7.354 -3.719 4.521 220 HB VAL 24 HB VAL 24 8.447 -5.678 3.533 221 HG11 VAL 24 HG11 VAL 24 9.666 -3.730 1.594 222 HG12 VAL 24 HG12 VAL 24 8.654 -5.131 1.237 223 HG13 VAL 24 HG13 VAL 24 10.281 -5.358 1.871 224 HG21 VAL 24 HG21 VAL 24 10.768 -5.149 4.177 225 HG22 VAL 24 HG22 VAL 24 9.579 -4.552 5.336 226 HG23 VAL 24 HG23 VAL 24 10.345 -3.437 4.205 227 H LEU 25 H LEU 25 6.428 -1.582 3.911 228 HA LEU 25 HA LEU 25 6.573 0.583 3.131 229 HB2 LEU 25 HB3 LEU 25 8.282 1.792 4.642 230 HB3 LEU 25 HB2 LEU 25 6.887 1.012 5.335 231 HG LEU 25 HG LEU 25 8.928 0.753 6.685 232 HD11 LEU 25 HD11 LEU 25 7.196 -0.888 6.935 233 HD12 LEU 25 HD12 LEU 25 8.774 -1.665 7.065 234 HD13 LEU 25 HD13 LEU 25 7.833 -1.819 5.581 235 HD21 LEU 25 HD21 LEU 25 9.974 -0.860 4.371 236 HD22 LEU 25 HD22 LEU 25 10.712 -0.755 5.970 237 HD23 LEU 25 HD23 LEU 25 10.606 0.680 4.952 238 H ARG 26 H ARG 26 7.473 -0.337 0.985 239 HA ARG 26 HA ARG 26 10.247 0.358 0.531 240 HB2 ARG 26 HB3 ARG 26 9.771 -1.644 -0.497 241 HB3 ARG 26 HB2 ARG 26 8.156 -1.146 -0.962 242 HG2 ARG 26 HG3 ARG 26 10.281 0.382 -2.262 243 HG3 ARG 26 HG2 ARG 26 10.289 -1.343 -2.642 244 HD2 ARG 26 HD3 ARG 26 8.005 -1.255 -3.371 245 HD3 ARG 26 HD2 ARG 26 7.842 0.408 -2.811 246 HE ARG 26 HE ARG 26 9.883 0.475 -4.635 247 HH11 ARG 26 HH11 ARG 26 6.513 -0.519 -4.701 248 HH12 ARG 26 HH12 ARG 26 6.338 -0.185 -6.398 249 HH21 ARG 26 HH22 ARG 26 9.614 0.944 -6.846 250 HH22 ARG 26 HH21 ARG 26 8.086 0.640 -7.614 251 HA PRO 27 HA PRO 27 8.251 3.232 -2.720 252 HB2 PRO 27 HB2 PRO 27 5.659 3.980 -2.467 253 HB3 PRO 27 HB3 PRO 27 6.159 2.528 -3.359 254 HG2 PRO 27 HG3 PRO 27 5.125 2.772 -0.559 255 HG3 PRO 27 HG2 PRO 27 4.681 1.598 -1.810 256 HD2 PRO 27 HD3 PRO 27 6.419 1.014 0.173 257 HD3 PRO 27 HD2 PRO 27 6.565 0.317 -1.450 258 H GLN 28 H GLN 28 6.643 3.630 0.420 259 HA GLN 28 HA GLN 28 8.016 6.174 0.819 260 HB2 GLN 28 HB3 GLN 28 5.021 5.805 0.954 261 HB3 GLN 28 HB2 GLN 28 5.849 7.141 1.735 262 HG2 GLN 28 HG3 GLN 28 6.020 6.577 -1.211 263 HG3 GLN 28 HG2 GLN 28 4.826 7.653 -0.488 264 HE21 GLN 28 HE22 GLN 28 8.167 7.187 -1.268 265 HE22 GLN 28 HE21 GLN 28 8.672 8.819 -0.990 266 H GLY 29 H GLY 29 5.304 4.687 2.538 267 HA2 GLY 29 HA3 GLY 29 5.244 3.566 4.564 268 HA3 GLY 29 HA2 GLY 29 7.001 3.608 4.606 Start of MODEL 15 1 H1 ARG 1 H1 ARG 1 -10.819 3.725 2.576 2 H2 ARG 1 H2 ARG 1 -12.365 3.868 3.250 3 H3 ARG 1 H3 ARG 1 -12.064 4.457 1.694 4 HA ARG 1 HA ARG 1 -11.955 1.620 2.517 5 HB2 ARG 1 HB3 ARG 1 -14.251 2.463 2.436 6 HB3 ARG 1 HB2 ARG 1 -13.970 3.131 0.837 7 HG2 ARG 1 HG3 ARG 1 -15.230 1.094 0.651 8 HG3 ARG 1 HG2 ARG 1 -13.622 0.852 -0.030 9 HD2 ARG 1 HD3 ARG 1 -14.272 -1.068 1.300 10 HD3 ARG 1 HD2 ARG 1 -12.916 -0.234 2.054 11 HE ARG 1 HE ARG 1 -15.429 0.655 3.082 12 HH11 ARG 1 HH12 ARG 1 -13.061 -1.911 3.296 13 HH12 ARG 1 HH11 ARG 1 -13.477 -2.332 4.925 14 HH21 ARG 1 HH21 ARG 1 -15.990 0.090 5.220 15 HH22 ARG 1 HH22 ARG 1 -15.142 -1.197 6.019 16 H LYS 2 H LYS 2 -10.479 0.596 1.367 17 HA LYS 2 HA LYS 2 -9.993 1.476 -1.406 18 HB2 LYS 2 HB3 LYS 2 -7.951 0.349 0.524 19 HB3 LYS 2 HB2 LYS 2 -7.643 0.868 -1.125 20 HG2 LYS 2 HG3 LYS 2 -8.540 2.651 1.128 21 HG3 LYS 2 HG2 LYS 2 -6.891 2.512 0.524 22 HD2 LYS 2 HD3 LYS 2 -9.264 3.418 -1.102 23 HD3 LYS 2 HD2 LYS 2 -8.081 4.493 -0.358 24 HE2 LYS 2 HE3 LYS 2 -6.312 3.476 -1.713 25 HE3 LYS 2 HE2 LYS 2 -7.496 2.400 -2.452 26 HZ1 LYS 2 HZ1 LYS 2 -8.638 4.349 -3.336 27 HZ2 LYS 2 HZ2 LYS 2 -7.036 4.279 -3.878 28 HZ3 LYS 2 HZ3 LYS 2 -7.467 5.360 -2.654 29 H CYS 3 H CYS 3 -8.493 -0.483 -2.389 30 HA CYS 3 HA CYS 3 -10.264 -2.675 -2.637 31 HB2 CYS 3 HB3 CYS 3 -7.814 -3.537 -3.621 32 HB3 CYS 3 HB2 CYS 3 -9.088 -2.746 -4.542 33 H ASN 4 H ASN 4 -6.847 -3.230 -1.925 34 HA ASN 4 HA ASN 4 -7.106 -4.027 0.745 35 HB2 ASN 4 HB3 ASN 4 -8.483 -5.861 -0.268 36 HB3 ASN 4 HB2 ASN 4 -7.062 -6.381 -1.164 37 HD21 ASN 4 HD22 ASN 4 -8.612 -6.231 1.921 38 HD22 ASN 4 HD21 ASN 4 -7.525 -7.291 2.752 39 H PHE 5 H PHE 5 -5.425 -6.074 -1.542 40 HA PHE 5 HA PHE 5 -2.897 -5.215 -0.419 41 HB2 PHE 5 HB3 PHE 5 -1.986 -7.133 -1.812 42 HB3 PHE 5 HB2 PHE 5 -3.105 -7.572 -0.531 43 HD1 PHE 5 HD1 PHE 5 -5.586 -7.896 -1.237 44 HD2 PHE 5 HD2 PHE 5 -2.313 -7.941 -3.951 45 HE1 PHE 5 HE1 PHE 5 -6.951 -9.144 -2.856 46 HE2 PHE 5 HE2 PHE 5 -3.676 -9.179 -5.579 47 HZ PHE 5 HZ PHE 5 -5.997 -9.786 -5.032 48 H LEU 6 H LEU 6 -1.198 -4.364 -1.594 49 HA LEU 6 HA LEU 6 -0.254 -2.888 -3.024 50 HB2 LEU 6 HB3 LEU 6 -2.125 -4.141 -5.047 51 HB3 LEU 6 HB2 LEU 6 -0.899 -2.961 -5.450 52 HG LEU 6 HG LEU 6 -0.092 -5.101 -6.087 53 HD11 LEU 6 HD11 LEU 6 1.244 -3.963 -3.662 54 HD12 LEU 6 HD12 LEU 6 1.744 -3.944 -5.360 55 HD13 LEU 6 HD13 LEU 6 1.853 -5.435 -4.429 56 HD21 LEU 6 HD21 LEU 6 -1.493 -6.533 -4.806 57 HD22 LEU 6 HD22 LEU 6 -0.723 -6.027 -3.303 58 HD23 LEU 6 HD23 LEU 6 0.190 -6.953 -4.494 59 H CYS 7 H CYS 7 -2.193 -2.005 -1.333 60 HA CYS 7 HA CYS 7 -3.474 0.171 -2.772 61 HB2 CYS 7 HB3 CYS 7 -5.124 -1.875 -1.268 62 HB3 CYS 7 HB2 CYS 7 -5.734 -0.349 -1.889 63 H LYS 8 H LYS 8 -2.816 -1.506 0.230 64 HA LYS 8 HA LYS 8 -2.505 0.812 1.820 65 HB2 LYS 8 HB3 LYS 8 -4.974 0.910 1.508 66 HB3 LYS 8 HB2 LYS 8 -5.105 -0.707 2.180 67 HG2 LYS 8 HG3 LYS 8 -4.273 0.102 4.320 68 HG3 LYS 8 HG2 LYS 8 -4.100 1.724 3.647 69 HD2 LYS 8 HD3 LYS 8 -6.150 1.689 4.858 70 HD3 LYS 8 HD2 LYS 8 -6.565 1.666 3.148 71 HE2 LYS 8 HE3 LYS 8 -7.979 0.105 4.262 72 HE3 LYS 8 HE2 LYS 8 -6.814 -0.809 3.310 73 HZ1 LYS 8 HZ1 LYS 8 -6.706 -0.325 6.237 74 HZ2 LYS 8 HZ2 LYS 8 -5.511 -1.130 5.352 75 HZ3 LYS 8 HZ3 LYS 8 -7.060 -1.789 5.475 76 H LEU 9 H LEU 9 -3.458 -2.553 1.658 77 HA LEU 9 HA LEU 9 -2.097 -3.301 4.088 78 HB2 LEU 9 HB3 LEU 9 -3.463 -4.817 1.890 79 HB3 LEU 9 HB2 LEU 9 -2.524 -5.657 3.114 80 HG LEU 9 HG LEU 9 -4.016 -4.537 4.843 81 HD11 LEU 9 HD11 LEU 9 -6.217 -3.814 4.074 82 HD12 LEU 9 HD12 LEU 9 -5.690 -3.986 2.401 83 HD13 LEU 9 HD13 LEU 9 -4.937 -2.780 3.444 84 HD21 LEU 9 HD21 LEU 9 -4.211 -6.885 4.256 85 HD22 LEU 9 HD22 LEU 9 -5.252 -6.472 2.895 86 HD23 LEU 9 HD23 LEU 9 -5.800 -6.178 4.544 87 H LYS 10 H LYS 10 -1.623 -4.416 0.723 88 HA LYS 10 HA LYS 10 1.269 -4.256 1.177 89 HB2 LYS 10 HB3 LYS 10 0.085 -6.286 0.031 90 HB3 LYS 10 HB2 LYS 10 0.022 -5.243 -1.378 91 HG2 LYS 10 HG3 LYS 10 2.459 -5.005 -1.305 92 HG3 LYS 10 HG2 LYS 10 2.509 -6.093 0.081 93 HD2 LYS 10 HD3 LYS 10 1.531 -6.767 -2.691 94 HD3 LYS 10 HD2 LYS 10 3.049 -7.291 -1.963 95 HE2 LYS 10 HE3 LYS 10 1.693 -8.423 -0.181 96 HE3 LYS 10 HE2 LYS 10 0.253 -8.037 -1.124 97 HZ1 LYS 10 HZ1 LYS 10 1.173 -9.312 -2.964 98 HZ2 LYS 10 HZ2 LYS 10 1.012 -10.270 -1.584 99 HZ3 LYS 10 HZ3 LYS 10 2.536 -9.700 -2.044 100 H GLU 11 H GLU 11 2.358 -3.361 -1.100 101 HA GLU 11 HA GLU 11 1.249 -0.670 -0.925 102 HB2 GLU 11 HB3 GLU 11 3.678 0.016 -1.342 103 HB3 GLU 11 HB2 GLU 11 3.221 -0.617 0.230 104 HG2 GLU 11 HG3 GLU 11 5.346 -1.507 -0.530 105 HG3 GLU 11 HG2 GLU 11 4.147 -2.773 -0.317 106 H LYS 12 H LYS 12 2.430 0.804 -2.530 107 HA LYS 12 HA LYS 12 3.217 0.220 -5.051 108 HB2 LYS 12 HB3 LYS 12 1.437 -0.170 -6.401 109 HB3 LYS 12 HB2 LYS 12 0.580 -0.583 -4.937 110 HG2 LYS 12 HG3 LYS 12 0.604 2.208 -5.976 111 HG3 LYS 12 HG2 LYS 12 -0.489 0.993 -6.634 112 HD2 LYS 12 HD3 LYS 12 -1.072 0.585 -4.125 113 HD3 LYS 12 HD2 LYS 12 -0.419 2.217 -3.922 114 HE2 LYS 12 HE3 LYS 12 -2.681 2.591 -4.320 115 HE3 LYS 12 HE2 LYS 12 -1.903 2.827 -5.889 116 HZ1 LYS 12 HZ1 LYS 12 -3.972 1.459 -5.930 117 HZ2 LYS 12 HZ2 LYS 12 -3.131 0.261 -5.084 118 HZ3 LYS 12 HZ3 LYS 12 -2.617 0.727 -6.627 119 H LEU 13 H LEU 13 2.950 2.252 -6.485 120 HA LEU 13 HA LEU 13 3.927 4.366 -4.911 121 HB2 LEU 13 HB3 LEU 13 4.616 3.988 -7.227 122 HB3 LEU 13 HB2 LEU 13 3.003 4.389 -7.783 123 HG LEU 13 HG LEU 13 3.293 6.691 -6.943 124 HD11 LEU 13 HD11 LEU 13 6.101 5.797 -6.317 125 HD12 LEU 13 HD12 LEU 13 4.867 6.259 -5.145 126 HD13 LEU 13 HD13 LEU 13 5.515 7.459 -6.262 127 HD21 LEU 13 HD21 LEU 13 4.904 7.414 -8.638 128 HD22 LEU 13 HD22 LEU 13 3.814 6.177 -9.262 129 HD23 LEU 13 HD23 LEU 13 5.464 5.751 -8.811 130 H ARG 14 H ARG 14 2.447 5.051 -3.393 131 HA ARG 14 HA ARG 14 0.533 6.956 -4.485 132 HB2 ARG 14 HB3 ARG 14 -0.293 4.516 -3.248 133 HB3 ARG 14 HB2 ARG 14 -0.731 5.854 -2.193 134 HG2 ARG 14 HG3 ARG 14 -1.472 5.579 -5.100 135 HG3 ARG 14 HG2 ARG 14 -2.541 5.308 -3.722 136 HD2 ARG 14 HD3 ARG 14 -2.321 7.637 -3.065 137 HD3 ARG 14 HD2 ARG 14 -1.185 7.924 -4.379 138 HE ARG 14 HE ARG 14 -3.675 6.913 -5.329 139 HH11 ARG 14 HH11 ARG 14 -2.064 9.819 -4.228 140 HH12 ARG 14 HH12 ARG 14 -3.114 10.886 -5.100 141 HH21 ARG 14 HH22 ARG 14 -5.050 8.316 -6.496 142 HH22 ARG 14 HH21 ARG 14 -4.805 10.033 -6.395 143 H THR 15 H THR 15 2.448 5.758 -1.823 144 HA THR 15 HA THR 15 3.831 6.909 -0.454 145 HB THR 15 HB THR 15 2.780 9.443 -1.682 146 HG1 THR 15 HG1 THR 15 5.114 8.428 -2.724 147 HG21 THR 15 HG21 THR 15 5.033 10.291 -1.195 148 HG22 THR 15 HG22 THR 15 5.465 8.734 -0.487 149 HG23 THR 15 HG23 THR 15 4.232 9.737 0.275 150 H VAL 16 H VAL 16 0.447 7.396 -0.379 151 HA VAL 16 HA VAL 16 0.709 8.450 2.356 152 HB VAL 16 HB VAL 16 -1.508 9.183 0.438 153 HG11 VAL 16 HG11 VAL 16 -2.065 8.932 2.894 154 HG12 VAL 16 HG12 VAL 16 -2.419 10.507 2.169 155 HG13 VAL 16 HG13 VAL 16 -0.986 10.304 3.181 156 HG21 VAL 16 HG21 VAL 16 0.736 10.869 1.553 157 HG22 VAL 16 HG22 VAL 16 -0.586 11.447 0.540 158 HG23 VAL 16 HG23 VAL 16 0.594 10.311 -0.113 159 H ILE 17 H ILE 17 -2.210 7.469 0.587 160 HA ILE 17 HA ILE 17 -3.274 6.010 2.706 161 HB ILE 17 HB ILE 17 -4.838 6.624 1.088 162 HG12 ILE 17 HG13 ILE 17 -5.798 4.524 0.191 163 HG13 ILE 17 HG12 ILE 17 -4.303 3.687 0.587 164 HG21 ILE 17 HG21 ILE 17 -4.686 6.105 -1.294 165 HG22 ILE 17 HG22 ILE 17 -3.138 5.307 -1.022 166 HG23 ILE 17 HG23 ILE 17 -3.296 7.040 -0.744 167 HD11 ILE 17 HD11 ILE 17 -4.754 4.424 2.993 168 HD12 ILE 17 HD12 ILE 17 -5.755 3.137 2.309 169 HD13 ILE 17 HD13 ILE 17 -6.388 4.784 2.431 170 H THR 18 H THR 18 -1.550 4.838 -0.157 171 HA THR 18 HA THR 18 -1.674 2.123 0.660 172 HB THR 18 HB THR 18 0.147 3.360 -1.403 173 HG1 THR 18 HG1 THR 18 -2.570 2.514 -1.486 174 HG21 THR 18 HG21 THR 18 0.118 1.132 -2.387 175 HG22 THR 18 HG22 THR 18 -0.947 0.563 -1.101 176 HG23 THR 18 HG23 THR 18 0.699 1.067 -0.725 177 H SER 19 H SER 19 0.428 4.753 1.390 178 HA SER 19 HA SER 19 2.673 3.073 2.031 179 HB2 SER 19 HB3 SER 19 3.827 5.063 2.578 180 HB3 SER 19 HB2 SER 19 2.790 5.490 1.228 181 HG SER 19 HG SER 19 2.750 7.014 2.984 182 H HIS 20 H HIS 20 -0.141 3.117 3.384 183 HA HIS 20 HA HIS 20 0.277 3.597 6.141 184 HB2 HIS 20 HB3 HIS 20 -1.958 3.437 5.061 185 HB3 HIS 20 HB2 HIS 20 -1.690 1.719 4.805 186 HD1 HIS 20 HD1 HIS 20 -2.792 0.308 6.492 187 HD2 HIS 20 HD2 HIS 20 -1.754 4.026 8.042 188 HE1 HIS 20 HE1 HIS 20 -3.635 0.315 8.857 189 HE2 HIS 20 HE2 HIS 20 -2.841 2.499 9.825 190 H ILE 21 H ILE 21 -0.051 0.491 4.430 191 HA ILE 21 HA ILE 21 2.086 -0.630 6.098 192 HB ILE 21 HB ILE 21 -0.571 -1.996 5.563 193 HG12 ILE 21 HG13 ILE 21 0.683 -1.029 8.142 194 HG13 ILE 21 HG12 ILE 21 -0.722 -0.329 7.345 195 HG21 ILE 21 HG21 ILE 21 1.861 -3.020 7.024 196 HG22 ILE 21 HG22 ILE 21 1.269 -3.585 5.462 197 HG23 ILE 21 HG23 ILE 21 0.305 -3.842 6.916 198 HD11 ILE 21 HD11 ILE 21 -0.549 -3.070 8.573 199 HD12 ILE 21 HD12 ILE 21 -1.953 -2.417 7.729 200 HD13 ILE 21 HD13 ILE 21 -1.401 -1.672 9.228 201 H ASP 22 H ASP 22 3.193 -2.422 5.004 202 HA ASP 22 HA ASP 22 2.550 -2.707 2.181 203 HB2 ASP 22 HB3 ASP 22 4.516 -1.785 1.362 204 HB3 ASP 22 HB2 ASP 22 4.101 -0.694 2.667 205 H LYS 23 H LYS 23 4.816 -3.929 1.286 206 HA LYS 23 HA LYS 23 4.668 -6.555 2.374 207 HB2 LYS 23 HB3 LYS 23 6.299 -7.135 0.716 208 HB3 LYS 23 HB2 LYS 23 5.204 -5.964 -0.009 209 HG2 LYS 23 HG3 LYS 23 6.837 -4.186 0.410 210 HG3 LYS 23 HG2 LYS 23 7.936 -5.372 1.109 211 HD2 LYS 23 HD3 LYS 23 8.680 -5.068 -1.098 212 HD3 LYS 23 HD2 LYS 23 7.779 -6.585 -1.126 213 HE2 LYS 23 HE3 LYS 23 5.802 -5.349 -1.934 214 HE3 LYS 23 HE2 LYS 23 6.778 -3.877 -1.976 215 HZ1 LYS 23 HZ1 LYS 23 7.271 -6.340 -3.563 216 HZ2 LYS 23 HZ2 LYS 23 8.225 -4.946 -3.601 217 HZ3 LYS 23 HZ3 LYS 23 6.631 -4.895 -4.157 218 H VAL 24 H VAL 24 6.013 -3.967 3.741 219 HA VAL 24 HA VAL 24 7.436 -3.634 5.460 220 HB VAL 24 HB VAL 24 8.265 -6.540 5.319 221 HG11 VAL 24 HG11 VAL 24 8.461 -4.424 7.449 222 HG12 VAL 24 HG12 VAL 24 9.785 -5.255 6.633 223 HG13 VAL 24 HG13 VAL 24 8.742 -6.139 7.747 224 HG21 VAL 24 HG21 VAL 24 5.833 -6.380 5.576 225 HG22 VAL 24 HG22 VAL 24 6.049 -5.288 6.942 226 HG23 VAL 24 HG23 VAL 24 6.596 -6.959 7.056 227 H LEU 25 H LEU 25 8.040 -3.141 2.815 228 HA LEU 25 HA LEU 25 10.965 -3.024 3.038 229 HB2 LEU 25 HB3 LEU 25 9.377 -3.890 0.660 230 HB3 LEU 25 HB2 LEU 25 10.822 -2.941 0.393 231 HG LEU 25 HG LEU 25 12.034 -4.719 1.802 232 HD11 LEU 25 HD11 LEU 25 9.975 -5.779 2.672 233 HD12 LEU 25 HD12 LEU 25 11.068 -6.908 1.871 234 HD13 LEU 25 HD13 LEU 25 9.621 -6.345 1.039 235 HD21 LEU 25 HD21 LEU 25 10.920 -5.417 -0.908 236 HD22 LEU 25 HD22 LEU 25 12.332 -6.157 -0.153 237 HD23 LEU 25 HD23 LEU 25 12.358 -4.448 -0.585 238 H ARG 26 H ARG 26 8.406 -1.753 0.865 239 HA ARG 26 HA ARG 26 8.933 0.923 1.859 240 HB2 ARG 26 HB3 ARG 26 8.949 1.538 -0.784 241 HB3 ARG 26 HB2 ARG 26 10.381 1.408 0.220 242 HG2 ARG 26 HG3 ARG 26 10.791 0.243 -1.806 243 HG3 ARG 26 HG2 ARG 26 10.616 -0.952 -0.525 244 HD2 ARG 26 HD3 ARG 26 8.364 -1.459 -1.260 245 HD3 ARG 26 HD2 ARG 26 8.439 -0.183 -2.481 246 HE ARG 26 HE ARG 26 10.534 -2.157 -2.690 247 HH11 ARG 26 HH11 ARG 26 7.226 -1.420 -3.617 248 HH12 ARG 26 HH12 ARG 26 7.321 -2.331 -5.091 249 HH21 ARG 26 HH22 ARG 26 10.623 -3.382 -4.600 250 HH22 ARG 26 HH21 ARG 26 9.245 -3.446 -5.648 251 HA PRO 27 HA PRO 27 4.457 0.591 1.284 252 HB2 PRO 27 HB2 PRO 27 4.586 3.152 2.750 253 HB3 PRO 27 HB3 PRO 27 3.667 1.680 3.122 254 HG2 PRO 27 HG3 PRO 27 5.804 2.393 4.555 255 HG3 PRO 27 HG2 PRO 27 5.435 0.695 4.202 256 HD2 PRO 27 HD3 PRO 27 7.461 2.501 2.935 257 HD3 PRO 27 HD2 PRO 27 7.602 0.786 3.371 258 H GLN 28 H GLN 28 6.681 3.050 0.362 259 HA GLN 28 HA GLN 28 4.737 4.702 -0.966 260 HB2 GLN 28 HB3 GLN 28 7.757 4.687 -1.052 261 HB3 GLN 28 HB2 GLN 28 6.762 5.851 -1.915 262 HG2 GLN 28 HG3 GLN 28 7.474 6.917 0.061 263 HG3 GLN 28 HG2 GLN 28 5.780 6.502 0.307 264 HE21 GLN 28 HE22 GLN 28 5.981 6.569 2.537 265 HE22 GLN 28 HE21 GLN 28 6.816 5.346 3.431 266 H GLY 29 H GLY 29 6.140 1.763 -1.642 267 HA2 GLY 29 HA3 GLY 29 5.889 0.395 -3.471 268 HA3 GLY 29 HA2 GLY 29 4.979 1.681 -4.248 Start of MODEL 16 1 H1 ARG 1 H1 ARG 1 -9.678 4.199 2.847 2 H2 ARG 1 H2 ARG 1 -11.034 3.207 3.011 3 H3 ARG 1 H3 ARG 1 -11.100 4.564 2.003 4 HA ARG 1 HA ARG 1 -10.891 2.590 0.688 5 HB2 ARG 1 HB3 ARG 1 -8.341 4.217 0.827 6 HB3 ARG 1 HB2 ARG 1 -8.761 3.135 -0.492 7 HG2 ARG 1 HG3 ARG 1 -10.623 4.499 -1.107 8 HG3 ARG 1 HG2 ARG 1 -10.415 5.509 0.326 9 HD2 ARG 1 HD3 ARG 1 -9.524 6.601 -1.667 10 HD3 ARG 1 HD2 ARG 1 -8.251 6.256 -0.497 11 HE ARG 1 HE ARG 1 -8.255 4.105 -2.200 12 HH11 ARG 1 HH12 ARG 1 -7.855 7.563 -2.539 13 HH12 ARG 1 HH11 ARG 1 -6.840 7.438 -3.939 14 HH21 ARG 1 HH21 ARG 1 -6.899 3.930 -4.020 15 HH22 ARG 1 HH22 ARG 1 -6.293 5.369 -4.784 16 H LYS 2 H LYS 2 -10.209 0.534 0.562 17 HA LYS 2 HA LYS 2 -7.764 -0.417 1.597 18 HB2 LYS 2 HB3 LYS 2 -9.273 0.040 3.692 19 HB3 LYS 2 HB2 LYS 2 -10.094 -1.427 3.191 20 HG2 LYS 2 HG3 LYS 2 -7.942 -2.640 3.333 21 HG3 LYS 2 HG2 LYS 2 -7.191 -1.158 3.937 22 HD2 LYS 2 HD3 LYS 2 -8.736 -1.164 5.841 23 HD3 LYS 2 HD2 LYS 2 -9.447 -2.668 5.252 24 HE2 LYS 2 HE3 LYS 2 -7.313 -3.799 5.502 25 HE3 LYS 2 HE2 LYS 2 -6.553 -2.295 6.013 26 HZ1 LYS 2 HZ1 LYS 2 -7.130 -3.772 7.870 27 HZ2 LYS 2 HZ2 LYS 2 -8.765 -3.636 7.465 28 HZ3 LYS 2 HZ3 LYS 2 -7.904 -2.273 7.975 29 H CYS 3 H CYS 3 -8.780 -0.662 -0.812 30 HA CYS 3 HA CYS 3 -10.519 -2.919 -1.112 31 HB2 CYS 3 HB3 CYS 3 -10.332 -2.501 -3.510 32 HB3 CYS 3 HB2 CYS 3 -10.713 -1.035 -2.632 33 H ASN 4 H ASN 4 -8.772 -4.127 0.206 34 HA ASN 4 HA ASN 4 -7.601 -6.071 0.248 35 HB2 ASN 4 HB3 ASN 4 -7.873 -6.030 -2.768 36 HB3 ASN 4 HB2 ASN 4 -7.341 -7.403 -1.803 37 HD21 ASN 4 HD22 ASN 4 -9.623 -7.066 -3.616 38 HD22 ASN 4 HD21 ASN 4 -11.022 -7.476 -2.685 39 H PHE 5 H PHE 5 -5.620 -7.067 -1.439 40 HA PHE 5 HA PHE 5 -3.426 -5.494 -0.649 41 HB2 PHE 5 HB3 PHE 5 -2.194 -7.089 -2.304 42 HB3 PHE 5 HB2 PHE 5 -2.872 -7.719 -0.809 43 HD1 PHE 5 HD2 PHE 5 -3.482 -7.384 -4.442 44 HD2 PHE 5 HD1 PHE 5 -4.502 -9.417 -0.848 45 HE1 PHE 5 HE2 PHE 5 -4.780 -9.019 -5.740 46 HE2 PHE 5 HE1 PHE 5 -5.807 -11.054 -2.139 47 HZ PHE 5 HZ PHE 5 -5.928 -10.892 -4.562 48 H LEU 6 H LEU 6 -1.747 -4.670 -2.073 49 HA LEU 6 HA LEU 6 -1.103 -2.979 -3.422 50 HB2 LEU 6 HB3 LEU 6 -2.969 -4.434 -5.281 51 HB3 LEU 6 HB2 LEU 6 -2.069 -3.021 -5.786 52 HG LEU 6 HG LEU 6 -0.858 -4.883 -6.569 53 HD11 LEU 6 HD11 LEU 6 0.515 -4.074 -4.011 54 HD12 LEU 6 HD12 LEU 6 0.497 -3.125 -5.501 55 HD13 LEU 6 HD13 LEU 6 1.263 -4.711 -5.478 56 HD21 LEU 6 HD21 LEU 6 -1.875 -6.642 -5.283 57 HD22 LEU 6 HD22 LEU 6 -1.101 -6.061 -3.810 58 HD23 LEU 6 HD23 LEU 6 -0.123 -6.732 -5.114 59 H CYS 7 H CYS 7 -3.138 -2.414 -1.570 60 HA CYS 7 HA CYS 7 -4.358 -0.084 -2.749 61 HB2 CYS 7 HB3 CYS 7 -5.952 -1.941 -3.284 62 HB3 CYS 7 HB2 CYS 7 -6.123 -2.240 -1.560 63 H LYS 8 H LYS 8 -4.903 -2.205 0.085 64 HA LYS 8 HA LYS 8 -3.254 -0.518 1.733 65 HB2 LYS 8 HB3 LYS 8 -5.449 0.675 1.768 66 HB3 LYS 8 HB2 LYS 8 -6.191 -0.779 2.410 67 HG2 LYS 8 HG3 LYS 8 -4.920 -0.619 4.431 68 HG3 LYS 8 HG2 LYS 8 -3.983 0.729 3.782 69 HD2 LYS 8 HD3 LYS 8 -5.819 2.187 3.869 70 HD3 LYS 8 HD2 LYS 8 -6.971 0.863 4.049 71 HE2 LYS 8 HE3 LYS 8 -6.220 0.422 6.268 72 HE3 LYS 8 HE2 LYS 8 -4.878 1.543 6.090 73 HZ1 LYS 8 HZ1 LYS 8 -6.438 3.362 5.949 74 HZ2 LYS 8 HZ2 LYS 8 -6.700 2.493 7.374 75 HZ3 LYS 8 HZ3 LYS 8 -7.747 2.297 6.062 76 H LEU 9 H LEU 9 -2.858 -3.029 0.962 77 HA LEU 9 HA LEU 9 -2.998 -4.555 3.432 78 HB2 LEU 9 HB3 LEU 9 -4.439 -5.348 0.966 79 HB3 LEU 9 HB2 LEU 9 -3.536 -6.611 1.774 80 HG LEU 9 HG LEU 9 -4.868 -5.824 3.888 81 HD11 LEU 9 HD11 LEU 9 -6.686 -4.904 1.670 82 HD12 LEU 9 HD12 LEU 9 -5.871 -3.859 2.831 83 HD13 LEU 9 HD13 LEU 9 -7.095 -5.003 3.382 84 HD21 LEU 9 HD21 LEU 9 -5.033 -8.024 2.863 85 HD22 LEU 9 HD22 LEU 9 -6.141 -7.387 1.648 86 HD23 LEU 9 HD23 LEU 9 -6.625 -7.435 3.343 87 H LYS 10 H LYS 10 -1.813 -4.235 0.128 88 HA LYS 10 HA LYS 10 0.674 -5.593 0.961 89 HB2 LYS 10 HB3 LYS 10 -0.667 -6.988 -0.626 90 HB3 LYS 10 HB2 LYS 10 -0.513 -5.706 -1.814 91 HG2 LYS 10 HG3 LYS 10 1.115 -7.321 -2.358 92 HG3 LYS 10 HG2 LYS 10 1.980 -5.968 -1.625 93 HD2 LYS 10 HD3 LYS 10 2.894 -7.946 -0.685 94 HD3 LYS 10 HD2 LYS 10 1.867 -7.229 0.556 95 HE2 LYS 10 HE3 LYS 10 1.402 -9.551 0.569 96 HE3 LYS 10 HE2 LYS 10 0.035 -8.773 -0.231 97 HZ1 LYS 10 HZ1 LYS 10 0.756 -10.761 -1.405 98 HZ2 LYS 10 HZ2 LYS 10 2.302 -10.108 -1.609 99 HZ3 LYS 10 HZ3 LYS 10 0.973 -9.388 -2.364 100 H GLU 11 H GLU 11 -0.680 -3.489 -1.544 101 HA GLU 11 HA GLU 11 -0.078 -1.519 -2.417 102 HB2 GLU 11 HB3 GLU 11 1.459 -1.410 0.148 103 HB3 GLU 11 HB2 GLU 11 1.560 -0.111 -1.032 104 HG2 GLU 11 HG3 GLU 11 -0.083 0.476 0.573 105 HG3 GLU 11 HG2 GLU 11 -0.908 0.091 -0.932 106 H LYS 12 H LYS 12 2.029 -0.094 -2.856 107 HA LYS 12 HA LYS 12 4.151 -1.776 -3.843 108 HB2 LYS 12 HB3 LYS 12 3.835 -1.185 -6.189 109 HB3 LYS 12 HB2 LYS 12 2.444 -2.048 -5.565 110 HG2 LYS 12 HG3 LYS 12 2.510 0.945 -5.773 111 HG3 LYS 12 HG2 LYS 12 2.038 -0.082 -7.121 112 HD2 LYS 12 HD3 LYS 12 0.341 -1.114 -5.488 113 HD3 LYS 12 HD2 LYS 12 0.665 0.302 -4.469 114 HE2 LYS 12 HE3 LYS 12 -0.140 1.786 -6.088 115 HE3 LYS 12 HE2 LYS 12 -0.023 0.585 -7.371 116 HZ1 LYS 12 HZ1 LYS 12 -1.877 -0.595 -6.442 117 HZ2 LYS 12 HZ2 LYS 12 -2.321 1.020 -6.656 118 HZ3 LYS 12 HZ3 LYS 12 -1.948 0.443 -5.114 119 H LEU 13 H LEU 13 2.706 1.461 -4.137 120 HA LEU 13 HA LEU 13 4.610 2.959 -2.878 121 HB2 LEU 13 HB3 LEU 13 6.112 1.973 -4.709 122 HB3 LEU 13 HB2 LEU 13 5.211 2.960 -5.840 123 HG LEU 13 HG LEU 13 6.600 4.215 -3.489 124 HD11 LEU 13 HD11 LEU 13 8.554 4.578 -4.908 125 HD12 LEU 13 HD12 LEU 13 7.824 3.591 -6.173 126 HD13 LEU 13 HD13 LEU 13 8.275 2.859 -4.634 127 HD21 LEU 13 HD21 LEU 13 6.696 6.146 -5.005 128 HD22 LEU 13 HD22 LEU 13 5.040 5.608 -4.728 129 HD23 LEU 13 HD23 LEU 13 5.856 5.209 -6.238 130 H ARG 14 H ARG 14 3.627 4.904 -2.616 131 HA ARG 14 HA ARG 14 2.442 6.286 -4.806 132 HB2 ARG 14 HB3 ARG 14 0.728 4.473 -3.843 133 HB3 ARG 14 HB2 ARG 14 0.406 5.766 -2.701 134 HG2 ARG 14 HG3 ARG 14 0.157 5.927 -5.696 135 HG3 ARG 14 HG2 ARG 14 -1.164 5.846 -4.531 136 HD2 ARG 14 HD3 ARG 14 -0.445 7.997 -3.591 137 HD3 ARG 14 HD2 ARG 14 0.846 8.077 -4.788 138 HE ARG 14 HE ARG 14 -1.559 7.738 -6.155 139 HH11 ARG 14 HH11 ARG 14 -0.002 10.138 -4.124 140 HH12 ARG 14 HH12 ARG 14 -0.825 11.475 -4.869 141 HH21 ARG 14 HH22 ARG 14 -2.663 9.494 -7.106 142 HH22 ARG 14 HH21 ARG 14 -2.338 11.111 -6.557 143 H THR 15 H THR 15 1.207 6.501 -1.508 144 HA THR 15 HA THR 15 2.914 8.758 -0.918 145 HB THR 15 HB THR 15 -0.079 9.169 -1.074 146 HG1 THR 15 HG1 THR 15 2.032 9.955 -2.831 147 HG21 THR 15 HG21 THR 15 2.170 11.138 -0.640 148 HG22 THR 15 HG22 THR 15 1.120 10.507 0.627 149 HG23 THR 15 HG23 THR 15 0.446 11.500 -0.661 150 H VAL 16 H VAL 16 -0.135 7.144 0.133 151 HA VAL 16 HA VAL 16 0.988 6.755 2.775 152 HB VAL 16 HB VAL 16 -1.503 8.447 2.436 153 HG11 VAL 16 HG11 VAL 16 -1.594 6.670 4.232 154 HG12 VAL 16 HG12 VAL 16 -1.815 8.333 4.786 155 HG13 VAL 16 HG13 VAL 16 -0.266 7.523 5.023 156 HG21 VAL 16 HG21 VAL 16 -0.283 10.125 3.726 157 HG22 VAL 16 HG22 VAL 16 0.573 9.727 2.239 158 HG23 VAL 16 HG23 VAL 16 1.129 9.070 3.777 159 H ILE 17 H ILE 17 -2.286 6.840 1.317 160 HA ILE 17 HA ILE 17 -3.035 4.514 2.787 161 HB ILE 17 HB ILE 17 -4.579 6.400 2.089 162 HG12 ILE 17 HG13 ILE 17 -5.321 4.146 2.984 163 HG13 ILE 17 HG12 ILE 17 -6.518 5.048 2.071 164 HG21 ILE 17 HG21 ILE 17 -3.975 6.584 -0.242 165 HG22 ILE 17 HG22 ILE 17 -5.694 6.230 -0.083 166 HG23 ILE 17 HG23 ILE 17 -4.570 4.956 -0.550 167 HD11 ILE 17 HD11 ILE 17 -6.683 2.767 1.455 168 HD12 ILE 17 HD12 ILE 17 -4.948 2.655 1.163 169 HD13 ILE 17 HD13 ILE 17 -5.960 3.630 0.098 170 H THR 18 H THR 18 -2.074 5.132 -0.539 171 HA THR 18 HA THR 18 -2.542 2.380 -1.319 172 HB THR 18 HB THR 18 -1.190 4.486 -2.998 173 HG1 THR 18 HG1 THR 18 -3.938 4.202 -2.337 174 HG21 THR 18 HG21 THR 18 -2.986 2.157 -3.679 175 HG22 THR 18 HG22 THR 18 -1.234 2.200 -3.861 176 HG23 THR 18 HG23 THR 18 -2.247 3.263 -4.838 177 H SER 19 H SER 19 -0.357 3.821 0.469 178 HA SER 19 HA SER 19 1.581 1.702 0.002 179 HB2 SER 19 HB3 SER 19 2.399 3.707 -1.235 180 HB3 SER 19 HB2 SER 19 2.364 4.618 0.272 181 HG SER 19 HG SER 19 3.835 2.213 0.056 182 H HIS 20 H HIS 20 0.011 1.247 1.933 183 HA HIS 20 HA HIS 20 0.854 2.697 4.341 184 HB2 HIS 20 HB3 HIS 20 -1.513 3.075 3.594 185 HB3 HIS 20 HB2 HIS 20 -1.812 1.360 3.863 186 HD1 HIS 20 HD1 HIS 20 -0.447 4.268 5.922 187 HD2 HIS 20 HD2 HIS 20 -2.831 0.884 6.310 188 HE1 HIS 20 HE1 HIS 20 -1.249 4.275 8.304 189 HE2 HIS 20 HE2 HIS 20 -2.743 2.257 8.499 190 H ILE 21 H ILE 21 -0.839 -0.375 3.639 191 HA ILE 21 HA ILE 21 0.793 -1.648 5.710 192 HB ILE 21 HB ILE 21 -1.515 -2.887 4.190 193 HG12 ILE 21 HG13 ILE 21 -1.518 -1.403 6.831 194 HG13 ILE 21 HG12 ILE 21 -2.329 -0.905 5.352 195 HG21 ILE 21 HG21 ILE 21 -0.021 -4.481 5.287 196 HG22 ILE 21 HG22 ILE 21 -1.587 -4.433 6.096 197 HG23 ILE 21 HG23 ILE 21 -0.200 -3.612 6.812 198 HD11 ILE 21 HD11 ILE 21 -3.899 -1.830 6.952 199 HD12 ILE 21 HD12 ILE 21 -2.989 -3.340 6.991 200 HD13 ILE 21 HD13 ILE 21 -3.806 -2.841 5.510 201 H ASP 22 H ASP 22 2.193 -0.851 3.667 202 HA ASP 22 HA ASP 22 2.511 -2.420 1.406 203 HB2 ASP 22 HB3 ASP 22 3.556 -0.210 1.784 204 HB3 ASP 22 HB2 ASP 22 4.599 -0.928 2.993 205 H LYS 23 H LYS 23 4.143 -3.934 0.894 206 HA LYS 23 HA LYS 23 4.477 -6.076 2.691 207 HB2 LYS 23 HB3 LYS 23 6.129 -6.917 0.979 208 HB3 LYS 23 HB2 LYS 23 4.526 -6.551 0.358 209 HG2 LYS 23 HG3 LYS 23 6.563 -4.403 0.218 210 HG3 LYS 23 HG2 LYS 23 6.748 -5.776 -0.872 211 HD2 LYS 23 HD3 LYS 23 4.592 -5.401 -1.827 212 HD3 LYS 23 HD2 LYS 23 4.194 -4.194 -0.612 213 HE2 LYS 23 HE3 LYS 23 4.754 -3.099 -2.672 214 HE3 LYS 23 HE2 LYS 23 6.009 -2.759 -1.480 215 HZ1 LYS 23 HZ1 LYS 23 7.415 -4.388 -2.520 216 HZ2 LYS 23 HZ2 LYS 23 6.880 -3.312 -3.706 217 HZ3 LYS 23 HZ3 LYS 23 6.194 -4.852 -3.585 218 H VAL 24 H VAL 24 5.756 -3.202 3.097 219 HA VAL 24 HA VAL 24 7.368 -2.361 4.427 220 HB VAL 24 HB VAL 24 8.261 -5.185 5.040 221 HG11 VAL 24 HG11 VAL 24 8.540 -2.575 6.525 222 HG12 VAL 24 HG12 VAL 24 9.831 -3.515 5.778 223 HG13 VAL 24 HG13 VAL 24 8.977 -4.152 7.183 224 HG21 VAL 24 HG21 VAL 24 6.136 -3.551 6.429 225 HG22 VAL 24 HG22 VAL 24 6.758 -5.109 6.973 226 HG23 VAL 24 HG23 VAL 24 5.862 -4.997 5.458 227 H LEU 25 H LEU 25 7.768 -2.376 1.808 228 HA LEU 25 HA LEU 25 10.665 -2.881 1.588 229 HB2 LEU 25 HB3 LEU 25 8.473 -3.399 -0.333 230 HB3 LEU 25 HB2 LEU 25 9.951 -2.740 -1.000 231 HG LEU 25 HG LEU 25 11.200 -4.641 0.037 232 HD11 LEU 25 HD11 LEU 25 8.431 -5.684 0.589 233 HD12 LEU 25 HD12 LEU 25 9.641 -5.234 1.790 234 HD13 LEU 25 HD13 LEU 25 9.923 -6.609 0.726 235 HD21 LEU 25 HD21 LEU 25 10.578 -4.667 -2.307 236 HD22 LEU 25 HD22 LEU 25 9.007 -5.355 -1.900 237 HD23 LEU 25 HD23 LEU 25 10.477 -6.287 -1.618 238 H ARG 26 H ARG 26 7.979 -0.750 0.604 239 HA ARG 26 HA ARG 26 9.752 1.507 0.929 240 HB2 ARG 26 HB3 ARG 26 9.315 2.465 -1.319 241 HB3 ARG 26 HB2 ARG 26 10.290 1.005 -1.360 242 HG2 ARG 26 HG3 ARG 26 7.363 0.699 -1.710 243 HG3 ARG 26 HG2 ARG 26 8.278 1.423 -3.033 244 HD2 ARG 26 HD3 ARG 26 9.136 -1.144 -1.745 245 HD3 ARG 26 HD2 ARG 26 7.939 -1.120 -3.037 246 HE ARG 26 HE ARG 26 9.624 -0.179 -4.487 247 HH11 ARG 26 HH11 ARG 26 10.852 -1.392 -1.442 248 HH12 ARG 26 HH12 ARG 26 12.423 -1.745 -2.072 249 HH21 ARG 26 HH22 ARG 26 11.703 -0.616 -5.303 250 HH22 ARG 26 HH21 ARG 26 12.911 -1.295 -4.256 251 HA PRO 27 HA PRO 27 5.167 2.330 1.849 252 HB2 PRO 27 HB2 PRO 27 6.359 2.887 4.520 253 HB3 PRO 27 HB3 PRO 27 4.828 2.082 4.110 254 HG2 PRO 27 HG3 PRO 27 6.892 0.661 4.982 255 HG3 PRO 27 HG2 PRO 27 5.862 0.064 3.665 256 HD2 PRO 27 HD3 PRO 27 8.575 1.351 3.509 257 HD3 PRO 27 HD2 PRO 27 7.959 -0.074 2.641 258 H GLN 28 H GLN 28 4.769 4.329 1.143 259 HA GLN 28 HA GLN 28 6.816 6.361 1.302 260 HB2 GLN 28 HB3 GLN 28 4.056 6.450 0.075 261 HB3 GLN 28 HB2 GLN 28 5.306 7.674 -0.127 262 HG2 GLN 28 HG3 GLN 28 5.498 4.802 -1.007 263 HG3 GLN 28 HG2 GLN 28 5.180 6.188 -2.052 264 HE21 GLN 28 HE22 GLN 28 7.409 4.181 -1.907 265 HE22 GLN 28 HE21 GLN 28 8.848 5.144 -1.873 266 H GLY 29 H GLY 29 3.953 5.542 3.020 267 HA2 GLY 29 HA3 GLY 29 3.834 8.215 4.232 268 HA3 GLY 29 HA2 GLY 29 2.597 6.973 4.366 Start of MODEL 17 1 H1 ARG 1 H1 ARG 1 -11.549 1.930 3.916 2 H2 ARG 1 H2 ARG 1 -11.252 2.824 2.516 3 H3 ARG 1 H3 ARG 1 -10.097 1.727 3.073 4 HA ARG 1 HA ARG 1 -11.609 -0.108 2.660 5 HB2 ARG 1 HB3 ARG 1 -13.356 1.996 1.361 6 HB3 ARG 1 HB2 ARG 1 -13.670 0.268 1.416 7 HG2 ARG 1 HG3 ARG 1 -13.595 2.113 3.789 8 HG3 ARG 1 HG2 ARG 1 -15.045 1.497 3.005 9 HD2 ARG 1 HD3 ARG 1 -14.442 -0.770 3.608 10 HD3 ARG 1 HD2 ARG 1 -12.929 -0.205 4.313 11 HE ARG 1 HE ARG 1 -15.219 1.052 5.478 12 HH11 ARG 1 HH12 ARG 1 -13.244 -1.840 5.554 13 HH12 ARG 1 HH11 ARG 1 -13.636 -2.212 7.203 14 HH21 ARG 1 HH21 ARG 1 -15.743 0.548 7.647 15 HH22 ARG 1 HH22 ARG 1 -15.060 -0.865 8.385 16 H LYS 2 H LYS 2 -9.722 -0.542 1.505 17 HA LYS 2 HA LYS 2 -9.722 0.413 -1.279 18 HB2 LYS 2 HB3 LYS 2 -7.293 -0.220 0.410 19 HB3 LYS 2 HB2 LYS 2 -7.284 0.345 -1.252 20 HG2 LYS 2 HG3 LYS 2 -8.271 1.898 1.128 21 HG3 LYS 2 HG2 LYS 2 -6.731 2.130 0.301 22 HD2 LYS 2 HD3 LYS 2 -7.934 2.726 -1.754 23 HD3 LYS 2 HD2 LYS 2 -9.470 2.509 -0.911 24 HE2 LYS 2 HE3 LYS 2 -8.798 4.273 0.684 25 HE3 LYS 2 HE2 LYS 2 -7.326 4.524 -0.253 26 HZ1 LYS 2 HZ1 LYS 2 -8.696 5.129 -2.153 27 HZ2 LYS 2 HZ2 LYS 2 -9.007 6.136 -0.832 28 HZ3 LYS 2 HZ3 LYS 2 -10.097 4.911 -1.238 29 H CYS 3 H CYS 3 -8.160 -1.137 -2.586 30 HA CYS 3 HA CYS 3 -9.383 -3.728 -2.409 31 HB2 CYS 3 HB3 CYS 3 -7.621 -3.997 -4.430 32 HB3 CYS 3 HB2 CYS 3 -9.200 -3.241 -4.611 33 H ASN 4 H ASN 4 -7.645 -3.094 -0.222 34 HA ASN 4 HA ASN 4 -6.085 -4.037 1.120 35 HB2 ASN 4 HB3 ASN 4 -7.482 -6.052 0.676 36 HB3 ASN 4 HB2 ASN 4 -6.404 -6.469 -0.651 37 HD21 ASN 4 HD22 ASN 4 -6.769 -6.269 2.796 38 HD22 ASN 4 HD21 ASN 4 -5.367 -7.195 3.201 39 H PHE 5 H PHE 5 -4.854 -6.078 -1.412 40 HA PHE 5 HA PHE 5 -2.261 -4.998 -0.868 41 HB2 PHE 5 HB3 PHE 5 -1.543 -6.762 -2.552 42 HB3 PHE 5 HB2 PHE 5 -2.317 -7.330 -1.082 43 HD1 PHE 5 HD2 PHE 5 -2.821 -6.761 -4.685 44 HD2 PHE 5 HD1 PHE 5 -4.388 -8.507 -1.142 45 HE1 PHE 5 HE2 PHE 5 -4.468 -7.999 -6.028 46 HE2 PHE 5 HE1 PHE 5 -6.039 -9.749 -2.474 47 HZ PHE 5 HZ PHE 5 -6.120 -9.490 -4.876 48 H LEU 6 H LEU 6 -0.865 -4.014 -2.251 49 HA LEU 6 HA LEU 6 -0.296 -2.290 -3.615 50 HB2 LEU 6 HB3 LEU 6 -2.168 -3.671 -5.539 51 HB3 LEU 6 HB2 LEU 6 -1.072 -2.378 -5.971 52 HG LEU 6 HG LEU 6 0.008 -4.294 -6.709 53 HD11 LEU 6 HD11 LEU 6 1.127 -3.826 -3.953 54 HD12 LEU 6 HD12 LEU 6 1.497 -2.882 -5.395 55 HD13 LEU 6 HD13 LEU 6 1.965 -4.579 -5.309 56 HD21 LEU 6 HD21 LEU 6 -1.536 -5.843 -5.538 57 HD22 LEU 6 HD22 LEU 6 -0.538 -5.678 -4.091 58 HD23 LEU 6 HD23 LEU 6 0.139 -6.372 -5.575 59 H CYS 7 H CYS 7 -2.365 -1.730 -1.791 60 HA CYS 7 HA CYS 7 -3.866 0.347 -3.156 61 HB2 CYS 7 HB3 CYS 7 -5.299 -2.007 -1.906 62 HB3 CYS 7 HB2 CYS 7 -6.083 -0.526 -2.434 63 H LYS 8 H LYS 8 -3.903 -1.585 -0.193 64 HA LYS 8 HA LYS 8 -3.141 0.843 1.284 65 HB2 LYS 8 HB3 LYS 8 -5.434 0.384 1.942 66 HB3 LYS 8 HB2 LYS 8 -5.066 -1.319 2.189 67 HG2 LYS 8 HG3 LYS 8 -3.505 -0.652 4.010 68 HG3 LYS 8 HG2 LYS 8 -4.061 1.009 3.814 69 HD2 LYS 8 HD3 LYS 8 -5.943 -1.267 4.384 70 HD3 LYS 8 HD2 LYS 8 -5.137 -0.364 5.665 71 HE2 LYS 8 HE3 LYS 8 -6.128 1.713 4.786 72 HE3 LYS 8 HE2 LYS 8 -6.977 0.767 3.563 73 HZ1 LYS 8 HZ1 LYS 8 -8.400 1.263 5.453 74 HZ2 LYS 8 HZ2 LYS 8 -7.322 0.490 6.503 75 HZ3 LYS 8 HZ3 LYS 8 -8.142 -0.402 5.326 76 H LEU 9 H LEU 9 -2.994 -2.531 0.716 77 HA LEU 9 HA LEU 9 -0.629 -2.861 2.403 78 HB2 LEU 9 HB3 LEU 9 -2.589 -4.879 1.302 79 HB3 LEU 9 HB2 LEU 9 -1.100 -5.317 2.112 80 HG LEU 9 HG LEU 9 -2.020 -4.010 4.126 81 HD11 LEU 9 HD11 LEU 9 -4.466 -3.932 4.263 82 HD12 LEU 9 HD12 LEU 9 -4.564 -4.409 2.568 83 HD13 LEU 9 HD13 LEU 9 -3.838 -2.864 3.007 84 HD21 LEU 9 HD21 LEU 9 -3.328 -6.569 3.228 85 HD22 LEU 9 HD22 LEU 9 -3.276 -5.967 4.883 86 HD23 LEU 9 HD23 LEU 9 -1.783 -6.425 4.066 87 H LYS 10 H LYS 10 -0.100 -5.386 0.809 88 HA LYS 10 HA LYS 10 2.105 -5.505 0.044 89 HB2 LYS 10 HB3 LYS 10 0.469 -6.512 -1.518 90 HB3 LYS 10 HB2 LYS 10 0.521 -5.030 -2.465 91 HG2 LYS 10 HG3 LYS 10 2.780 -5.349 -3.045 92 HG3 LYS 10 HG2 LYS 10 2.998 -6.597 -1.825 93 HD2 LYS 10 HD3 LYS 10 1.431 -6.783 -4.381 94 HD3 LYS 10 HD2 LYS 10 2.890 -7.666 -3.950 95 HE2 LYS 10 HE3 LYS 10 1.591 -8.692 -2.063 96 HE3 LYS 10 HE2 LYS 10 0.144 -7.949 -2.754 97 HZ1 LYS 10 HZ1 LYS 10 1.914 -9.909 -4.116 98 HZ2 LYS 10 HZ2 LYS 10 0.544 -9.189 -4.797 99 HZ3 LYS 10 HZ3 LYS 10 0.383 -10.234 -3.480 100 H GLU 11 H GLU 11 0.777 -3.030 -2.127 101 HA GLU 11 HA GLU 11 1.305 -0.845 -2.385 102 HB2 GLU 11 HB3 GLU 11 2.555 -1.349 0.020 103 HB3 GLU 11 HB2 GLU 11 3.884 -0.807 -0.992 104 HG2 GLU 11 HG3 GLU 11 1.318 0.688 -0.538 105 HG3 GLU 11 HG2 GLU 11 2.850 1.003 0.276 106 H LYS 12 H LYS 12 2.877 0.424 -3.584 107 HA LYS 12 HA LYS 12 4.973 -1.029 -4.944 108 HB2 LYS 12 HB3 LYS 12 4.083 -0.838 -7.158 109 HB3 LYS 12 HB2 LYS 12 2.864 -1.617 -6.175 110 HG2 LYS 12 HG3 LYS 12 2.828 1.314 -6.811 111 HG3 LYS 12 HG2 LYS 12 2.086 0.099 -7.845 112 HD2 LYS 12 HD3 LYS 12 0.738 -0.614 -5.822 113 HD3 LYS 12 HD2 LYS 12 1.333 0.853 -5.021 114 HE2 LYS 12 HE3 LYS 12 0.351 2.248 -6.670 115 HE3 LYS 12 HE2 LYS 12 0.000 0.872 -7.709 116 HZ1 LYS 12 HZ1 LYS 12 -1.626 0.104 -6.106 117 HZ2 LYS 12 HZ2 LYS 12 -1.976 1.692 -6.570 118 HZ3 LYS 12 HZ3 LYS 12 -1.261 1.391 -5.072 119 H LEU 13 H LEU 13 2.986 1.906 -4.896 120 HA LEU 13 HA LEU 13 4.845 3.820 -4.426 121 HB2 LEU 13 HB3 LEU 13 5.845 2.813 -6.617 122 HB3 LEU 13 HB2 LEU 13 4.556 3.683 -7.417 123 HG LEU 13 HG LEU 13 6.609 5.026 -5.656 124 HD11 LEU 13 HD11 LEU 13 7.728 3.967 -7.535 125 HD12 LEU 13 HD12 LEU 13 7.704 5.718 -7.731 126 HD13 LEU 13 HD13 LEU 13 6.587 4.713 -8.654 127 HD21 LEU 13 HD21 LEU 13 4.714 6.135 -7.725 128 HD22 LEU 13 HD22 LEU 13 5.884 7.059 -6.782 129 HD23 LEU 13 HD23 LEU 13 4.522 6.276 -5.978 130 H ARG 14 H ARG 14 3.493 5.376 -3.798 131 HA ARG 14 HA ARG 14 1.693 6.651 -5.570 132 HB2 ARG 14 HB3 ARG 14 0.360 4.594 -5.025 133 HB3 ARG 14 HB2 ARG 14 0.370 5.093 -3.339 134 HG2 ARG 14 HG3 ARG 14 -1.725 5.693 -4.402 135 HG3 ARG 14 HG2 ARG 14 -0.828 7.142 -3.942 136 HD2 ARG 14 HD3 ARG 14 -0.038 7.391 -6.237 137 HD3 ARG 14 HD2 ARG 14 -0.899 5.927 -6.701 138 HE ARG 14 HE ARG 14 -2.737 7.701 -5.567 139 HH11 ARG 14 HH11 ARG 14 -0.709 7.434 -8.407 140 HH12 ARG 14 HH12 ARG 14 -1.761 8.384 -9.404 141 HH21 ARG 14 HH22 ARG 14 -4.110 8.980 -6.874 142 HH22 ARG 14 HH21 ARG 14 -3.691 9.264 -8.532 143 H THR 15 H THR 15 2.383 5.937 -2.170 144 HA THR 15 HA THR 15 3.049 7.299 -0.472 145 HB THR 15 HB THR 15 3.016 9.538 -2.491 146 HG1 THR 15 HG1 THR 15 5.426 8.415 -1.689 147 HG21 THR 15 HG21 THR 15 4.620 10.612 -0.951 148 HG22 THR 15 HG22 THR 15 4.402 9.276 0.179 149 HG23 THR 15 HG23 THR 15 3.051 10.347 -0.191 150 H VAL 16 H VAL 16 0.959 6.824 0.360 151 HA VAL 16 HA VAL 16 -0.379 8.897 1.500 152 HB VAL 16 HB VAL 16 -1.036 9.355 -0.940 153 HG11 VAL 16 HG11 VAL 16 -2.828 6.988 -0.503 154 HG12 VAL 16 HG12 VAL 16 -1.517 7.123 -1.674 155 HG13 VAL 16 HG13 VAL 16 -2.953 8.134 -1.838 156 HG21 VAL 16 HG21 VAL 16 -3.339 10.017 -0.366 157 HG22 VAL 16 HG22 VAL 16 -2.152 10.483 0.852 158 HG23 VAL 16 HG23 VAL 16 -3.205 9.102 1.131 159 H ILE 17 H ILE 17 -3.101 7.606 1.420 160 HA ILE 17 HA ILE 17 -2.772 5.646 3.369 161 HB ILE 17 HB ILE 17 -4.879 6.869 2.967 162 HG12 ILE 17 HG13 ILE 17 -4.667 4.457 4.058 163 HG13 ILE 17 HG12 ILE 17 -6.227 5.235 3.850 164 HG21 ILE 17 HG21 ILE 17 -4.935 6.843 0.560 165 HG22 ILE 17 HG22 ILE 17 -6.420 6.141 1.203 166 HG23 ILE 17 HG23 ILE 17 -5.159 5.094 0.553 167 HD11 ILE 17 HD11 ILE 17 -6.480 2.987 3.194 168 HD12 ILE 17 HD12 ILE 17 -5.031 3.026 2.193 169 HD13 ILE 17 HD13 ILE 17 -6.461 3.936 1.711 170 H THR 18 H THR 18 -2.799 5.405 -0.115 171 HA THR 18 HA THR 18 -2.896 2.660 -0.486 172 HB THR 18 HB THR 18 -1.104 4.591 -1.990 173 HG1 THR 18 HG1 THR 18 -3.743 3.882 -2.770 174 HG21 THR 18 HG21 THR 18 -2.436 2.009 -2.842 175 HG22 THR 18 HG22 THR 18 -0.722 2.219 -2.486 176 HG23 THR 18 HG23 THR 18 -1.444 3.049 -3.864 177 H SER 19 H SER 19 0.020 4.658 -0.381 178 HA SER 19 HA SER 19 1.719 2.496 0.312 179 HB2 SER 19 HB3 SER 19 2.224 5.468 0.434 180 HB3 SER 19 HB2 SER 19 3.448 4.199 0.411 181 HG SER 19 HG SER 19 2.817 3.645 -1.666 182 H HIS 20 H HIS 20 -0.158 2.329 2.249 183 HA HIS 20 HA HIS 20 1.084 3.590 4.600 184 HB2 HIS 20 HB3 HIS 20 -1.413 3.848 4.234 185 HB3 HIS 20 HB2 HIS 20 -1.552 2.121 4.559 186 HD1 HIS 20 HD1 HIS 20 -1.870 1.503 6.955 187 HD2 HIS 20 HD2 HIS 20 -0.174 5.271 6.523 188 HE1 HIS 20 HE1 HIS 20 -1.664 2.424 9.284 189 HE2 HIS 20 HE2 HIS 20 -0.738 4.747 8.987 190 H ILE 21 H ILE 21 -0.348 0.457 3.674 191 HA ILE 21 HA ILE 21 1.513 -0.864 5.531 192 HB ILE 21 HB ILE 21 -0.928 -2.033 4.176 193 HG12 ILE 21 HG13 ILE 21 -0.593 -1.057 7.019 194 HG13 ILE 21 HG12 ILE 21 -1.583 -0.300 5.776 195 HG21 ILE 21 HG21 ILE 21 -0.656 -3.870 5.778 196 HG22 ILE 21 HG22 ILE 21 0.811 -3.109 6.392 197 HG23 ILE 21 HG23 ILE 21 0.754 -3.698 4.732 198 HD11 ILE 21 HD11 ILE 21 -3.023 -2.249 5.707 199 HD12 ILE 21 HD12 ILE 21 -2.919 -1.608 7.345 200 HD13 ILE 21 HD13 ILE 21 -2.014 -3.055 6.906 201 H ASP 22 H ASP 22 2.854 -2.510 4.759 202 HA ASP 22 HA ASP 22 3.072 -2.614 1.822 203 HB2 ASP 22 HB3 ASP 22 4.864 -1.289 3.038 204 HB3 ASP 22 HB2 ASP 22 5.361 -2.785 3.801 205 H LYS 23 H LYS 23 3.951 -4.587 0.957 206 HA LYS 23 HA LYS 23 3.144 -6.970 2.207 207 HB2 LYS 23 HB3 LYS 23 4.794 -8.014 0.478 208 HB3 LYS 23 HB2 LYS 23 3.342 -7.204 -0.077 209 HG2 LYS 23 HG3 LYS 23 5.030 -6.463 -1.508 210 HG3 LYS 23 HG2 LYS 23 4.801 -5.135 -0.372 211 HD2 LYS 23 HD3 LYS 23 6.723 -6.081 0.946 212 HD3 LYS 23 HD2 LYS 23 7.006 -7.179 -0.405 213 HE2 LYS 23 HE3 LYS 23 7.184 -5.166 -1.886 214 HE3 LYS 23 HE2 LYS 23 7.122 -4.163 -0.427 215 HZ1 LYS 23 HZ1 LYS 23 9.164 -6.253 -0.981 216 HZ2 LYS 23 HZ2 LYS 23 9.119 -5.226 0.363 217 HZ3 LYS 23 HZ3 LYS 23 9.395 -4.591 -1.178 218 H VAL 24 H VAL 24 6.049 -5.099 2.494 219 HA VAL 24 HA VAL 24 6.922 -6.955 4.595 220 HB VAL 24 HB VAL 24 8.804 -5.752 2.548 221 HG11 VAL 24 HG11 VAL 24 9.396 -7.356 5.033 222 HG12 VAL 24 HG12 VAL 24 9.803 -5.663 4.754 223 HG13 VAL 24 HG13 VAL 24 10.579 -6.926 3.798 224 HG21 VAL 24 HG21 VAL 24 8.160 -8.631 3.176 225 HG22 VAL 24 HG22 VAL 24 9.374 -8.075 2.025 226 HG23 VAL 24 HG23 VAL 24 7.666 -7.749 1.730 227 H LEU 25 H LEU 25 8.411 -4.018 3.253 228 HA LEU 25 HA LEU 25 7.221 -2.169 4.950 229 HB2 LEU 25 HB3 LEU 25 8.702 -3.735 6.527 230 HB3 LEU 25 HB2 LEU 25 9.968 -2.645 6.001 231 HG LEU 25 HG LEU 25 9.011 -1.981 8.163 232 HD11 LEU 25 HD11 LEU 25 8.390 -0.044 5.943 233 HD12 LEU 25 HD12 LEU 25 9.945 -0.245 6.753 234 HD13 LEU 25 HD13 LEU 25 8.554 0.365 7.650 235 HD21 LEU 25 HD21 LEU 25 6.744 -2.836 7.798 236 HD22 LEU 25 HD22 LEU 25 6.450 -1.540 6.639 237 HD23 LEU 25 HD23 LEU 25 6.743 -1.158 8.335 238 H ARG 26 H ARG 26 7.609 -1.622 2.456 239 HA ARG 26 HA ARG 26 9.493 0.560 2.833 240 HB2 ARG 26 HB3 ARG 26 10.845 0.199 1.056 241 HB3 ARG 26 HB2 ARG 26 10.412 -1.462 1.374 242 HG2 ARG 26 HG3 ARG 26 9.245 0.302 -0.769 243 HG3 ARG 26 HG2 ARG 26 10.434 -0.974 -0.997 244 HD2 ARG 26 HD3 ARG 26 8.742 -2.598 -0.145 245 HD3 ARG 26 HD2 ARG 26 7.564 -1.281 -0.136 246 HE ARG 26 HE ARG 26 8.961 -1.815 -2.641 247 HH11 ARG 26 HH11 ARG 26 6.013 -2.081 -0.748 248 HH12 ARG 26 HH12 ARG 26 5.027 -2.441 -2.140 249 HH21 ARG 26 HH22 ARG 26 7.659 -2.269 -4.448 250 HH22 ARG 26 HH21 ARG 26 5.961 -2.560 -4.231 251 HA PRO 27 HA PRO 27 5.302 1.513 0.829 252 HB2 PRO 27 HB2 PRO 27 4.041 2.752 2.888 253 HB3 PRO 27 HB3 PRO 27 3.959 0.996 2.635 254 HG2 PRO 27 HG3 PRO 27 5.647 2.565 4.540 255 HG3 PRO 27 HG2 PRO 27 4.797 1.030 4.794 256 HD2 PRO 27 HD3 PRO 27 7.475 1.211 4.280 257 HD3 PRO 27 HD2 PRO 27 6.488 -0.200 3.858 258 H GLN 28 H GLN 28 4.992 3.472 -0.160 259 HA GLN 28 HA GLN 28 7.139 5.336 0.131 260 HB2 GLN 28 HB3 GLN 28 4.674 5.529 -1.592 261 HB3 GLN 28 HB2 GLN 28 6.124 6.506 -1.752 262 HG2 GLN 28 HG3 GLN 28 5.905 3.538 -2.183 263 HG3 GLN 28 HG2 GLN 28 6.086 4.782 -3.417 264 HE21 GLN 28 HE22 GLN 28 7.683 2.925 -0.961 265 HE22 GLN 28 HE21 GLN 28 9.294 3.390 -1.377 266 H GLY 29 H GLY 29 4.279 5.137 1.851 267 HA2 GLY 29 HA3 GLY 29 4.277 8.063 2.273 268 HA3 GLY 29 HA2 GLY 29 2.798 7.107 2.302 Start of MODEL 18 1 H1 ARG 1 H1 ARG 1 -9.451 3.255 3.649 2 H2 ARG 1 H2 ARG 1 -10.736 3.256 4.746 3 H3 ARG 1 H3 ARG 1 -10.912 3.994 3.237 4 HA ARG 1 HA ARG 1 -10.455 1.109 3.679 5 HB2 ARG 1 HB3 ARG 1 -12.822 0.891 2.877 6 HB3 ARG 1 HB2 ARG 1 -12.650 1.630 4.461 7 HG2 ARG 1 HG3 ARG 1 -12.815 3.866 3.276 8 HG3 ARG 1 HG2 ARG 1 -13.336 2.953 1.859 9 HD2 ARG 1 HD3 ARG 1 -15.254 3.752 3.118 10 HD3 ARG 1 HD2 ARG 1 -15.170 1.993 3.160 11 HE ARG 1 HE ARG 1 -14.021 3.499 5.389 12 HH11 ARG 1 HH12 ARG 1 -16.542 1.408 4.169 13 HH12 ARG 1 HH11 ARG 1 -17.140 0.998 5.743 14 HH21 ARG 1 HH21 ARG 1 -14.800 2.967 7.463 15 HH22 ARG 1 HH22 ARG 1 -16.150 1.891 7.619 16 H LYS 2 H LYS 2 -9.875 0.007 1.934 17 HA LYS 2 HA LYS 2 -10.156 1.159 -0.727 18 HB2 LYS 2 HB3 LYS 2 -7.514 0.530 0.594 19 HB3 LYS 2 HB2 LYS 2 -7.694 0.678 -1.145 20 HG2 LYS 2 HG3 LYS 2 -8.369 2.860 0.805 21 HG3 LYS 2 HG2 LYS 2 -6.816 2.702 -0.015 22 HD2 LYS 2 HD3 LYS 2 -7.994 2.836 -2.187 23 HD3 LYS 2 HD2 LYS 2 -9.511 3.083 -1.323 24 HE2 LYS 2 HE3 LYS 2 -8.565 5.115 -0.300 25 HE3 LYS 2 HE2 LYS 2 -7.090 4.878 -1.235 26 HZ1 LYS 2 HZ1 LYS 2 -8.535 6.471 -2.305 27 HZ2 LYS 2 HZ2 LYS 2 -9.800 5.349 -2.353 28 HZ3 LYS 2 HZ3 LYS 2 -8.402 5.086 -3.263 29 H CYS 3 H CYS 3 -8.300 -0.634 -1.921 30 HA CYS 3 HA CYS 3 -9.820 -3.053 -2.012 31 HB2 CYS 3 HB3 CYS 3 -7.153 -3.135 -3.212 32 HB3 CYS 3 HB2 CYS 3 -8.728 -3.370 -3.963 33 H ASN 4 H ASN 4 -7.801 -4.979 -2.319 34 HA ASN 4 HA ASN 4 -7.018 -5.347 0.467 35 HB2 ASN 4 HB3 ASN 4 -8.229 -7.181 -0.649 36 HB3 ASN 4 HB2 ASN 4 -6.950 -7.296 -1.851 37 HD21 ASN 4 HD22 ASN 4 -6.516 -9.430 -1.330 38 HD22 ASN 4 HD21 ASN 4 -5.703 -9.876 0.127 39 H PHE 5 H PHE 5 -5.369 -6.462 -2.470 40 HA PHE 5 HA PHE 5 -2.866 -5.635 -1.212 41 HB2 PHE 5 HB3 PHE 5 -1.850 -7.091 -3.044 42 HB3 PHE 5 HB2 PHE 5 -2.752 -7.899 -1.775 43 HD1 PHE 5 HD2 PHE 5 -2.923 -6.742 -5.279 44 HD2 PHE 5 HD1 PHE 5 -4.656 -9.207 -2.278 45 HE1 PHE 5 HE2 PHE 5 -4.329 -7.821 -6.981 46 HE2 PHE 5 HE1 PHE 5 -6.066 -10.290 -3.974 47 HZ PHE 5 HZ PHE 5 -5.908 -9.610 -6.320 48 H LEU 6 H LEU 6 -1.195 -4.690 -2.469 49 HA LEU 6 HA LEU 6 -0.450 -2.815 -3.516 50 HB2 LEU 6 HB3 LEU 6 -2.102 -4.017 -5.743 51 HB3 LEU 6 HB2 LEU 6 -0.988 -2.685 -5.960 52 HG LEU 6 HG LEU 6 0.234 -4.494 -6.707 53 HD11 LEU 6 HD11 LEU 6 0.946 -4.283 -3.787 54 HD12 LEU 6 HD12 LEU 6 1.547 -3.270 -5.100 55 HD13 LEU 6 HD13 LEU 6 1.958 -4.983 -5.050 56 HD21 LEU 6 HD21 LEU 6 -1.256 -6.268 -6.143 57 HD22 LEU 6 HD22 LEU 6 -0.887 -6.098 -4.428 58 HD23 LEU 6 HD23 LEU 6 0.351 -6.671 -5.542 59 H CYS 7 H CYS 7 -2.420 -2.131 -1.840 60 HA CYS 7 HA CYS 7 -3.682 0.096 -3.117 61 HB2 CYS 7 HB3 CYS 7 -5.142 -1.875 -3.758 62 HB3 CYS 7 HB2 CYS 7 -5.557 -2.025 -2.055 63 H LYS 8 H LYS 8 -2.874 -1.769 -0.378 64 HA LYS 8 HA LYS 8 -2.643 0.402 1.343 65 HB2 LYS 8 HB3 LYS 8 -5.076 0.479 1.394 66 HB3 LYS 8 HB2 LYS 8 -5.154 -1.234 1.773 67 HG2 LYS 8 HG3 LYS 8 -4.379 -0.904 3.957 68 HG3 LYS 8 HG2 LYS 8 -3.782 0.714 3.593 69 HD2 LYS 8 HD3 LYS 8 -5.825 0.805 4.924 70 HD3 LYS 8 HD2 LYS 8 -6.075 1.506 3.330 71 HE2 LYS 8 HE3 LYS 8 -7.981 0.175 3.878 72 HE3 LYS 8 HE2 LYS 8 -7.081 -0.642 2.601 73 HZ1 LYS 8 HZ1 LYS 8 -7.804 -2.185 4.314 74 HZ2 LYS 8 HZ2 LYS 8 -6.976 -1.309 5.497 75 HZ3 LYS 8 HZ3 LYS 8 -6.119 -2.102 4.278 76 H LEU 9 H LEU 9 -2.819 -2.953 0.737 77 HA LEU 9 HA LEU 9 -1.690 -3.629 3.339 78 HB2 LEU 9 HB3 LEU 9 -3.278 -5.151 1.340 79 HB3 LEU 9 HB2 LEU 9 -2.244 -6.022 2.464 80 HG LEU 9 HG LEU 9 -3.469 -4.760 4.324 81 HD11 LEU 9 HD11 LEU 9 -5.439 -4.298 2.096 82 HD12 LEU 9 HD12 LEU 9 -4.502 -3.054 2.925 83 HD13 LEU 9 HD13 LEU 9 -5.708 -3.985 3.810 84 HD21 LEU 9 HD21 LEU 9 -4.960 -6.761 2.638 85 HD22 LEU 9 HD22 LEU 9 -5.324 -6.357 4.317 86 HD23 LEU 9 HD23 LEU 9 -3.788 -7.123 3.908 87 H LYS 10 H LYS 10 -1.323 -4.853 -0.024 88 HA LYS 10 HA LYS 10 1.288 -5.824 0.603 89 HB2 LYS 10 HB3 LYS 10 -0.148 -6.933 -1.053 90 HB3 LYS 10 HB2 LYS 10 -0.017 -5.531 -2.097 91 HG2 LYS 10 HG3 LYS 10 2.209 -5.913 -2.573 92 HG3 LYS 10 HG2 LYS 10 2.418 -6.955 -1.172 93 HD2 LYS 10 HD3 LYS 10 0.827 -7.599 -3.653 94 HD3 LYS 10 HD2 LYS 10 2.408 -8.257 -3.235 95 HE2 LYS 10 HE3 LYS 10 1.298 -9.119 -1.105 96 HE3 LYS 10 HE2 LYS 10 -0.235 -8.739 -1.892 97 HZ1 LYS 10 HZ1 LYS 10 1.838 -10.599 -2.918 98 HZ2 LYS 10 HZ2 LYS 10 0.400 -10.210 -3.716 99 HZ3 LYS 10 HZ3 LYS 10 0.350 -11.038 -2.244 100 H GLU 11 H GLU 11 0.053 -2.903 -0.732 101 HA GLU 11 HA GLU 11 0.992 -0.848 -0.950 102 HB2 GLU 11 HB3 GLU 11 2.436 -1.422 0.957 103 HB3 GLU 11 HB2 GLU 11 3.571 -2.205 -0.127 104 HG2 GLU 11 HG3 GLU 11 2.912 0.668 -0.534 105 HG3 GLU 11 HG2 GLU 11 3.997 0.207 0.770 106 H LYS 12 H LYS 12 1.868 0.345 -2.625 107 HA LYS 12 HA LYS 12 3.089 -1.183 -4.823 108 HB2 LYS 12 HB3 LYS 12 1.537 -0.089 -6.393 109 HB3 LYS 12 HB2 LYS 12 0.682 -1.078 -5.212 110 HG2 LYS 12 HG3 LYS 12 0.382 1.060 -3.872 111 HG3 LYS 12 HG2 LYS 12 0.911 1.910 -5.322 112 HD2 LYS 12 HD3 LYS 12 -1.426 0.016 -5.185 113 HD3 LYS 12 HD2 LYS 12 -1.538 1.775 -5.098 114 HE2 LYS 12 HE3 LYS 12 -0.630 1.979 -7.329 115 HE3 LYS 12 HE2 LYS 12 -0.360 0.239 -7.411 116 HZ1 LYS 12 HZ1 LYS 12 -2.364 0.888 -8.595 117 HZ2 LYS 12 HZ2 LYS 12 -3.011 1.557 -7.182 118 HZ3 LYS 12 HZ3 LYS 12 -2.742 -0.108 -7.285 119 H LEU 13 H LEU 13 3.986 0.979 -2.848 120 HA LEU 13 HA LEU 13 4.961 3.020 -2.728 121 HB2 LEU 13 HB3 LEU 13 5.911 1.912 -5.325 122 HB3 LEU 13 HB2 LEU 13 6.320 3.566 -4.921 123 HG LEU 13 HG LEU 13 7.021 1.135 -3.268 124 HD11 LEU 13 HD11 LEU 13 8.281 1.282 -5.365 125 HD12 LEU 13 HD12 LEU 13 9.306 1.577 -3.962 126 HD13 LEU 13 HD13 LEU 13 8.762 2.928 -4.956 127 HD21 LEU 13 HD21 LEU 13 8.397 2.716 -1.978 128 HD22 LEU 13 HD22 LEU 13 6.679 3.090 -1.869 129 HD23 LEU 13 HD23 LEU 13 7.725 4.048 -2.916 130 H ARG 14 H ARG 14 2.497 3.610 -2.963 131 HA ARG 14 HA ARG 14 2.023 5.195 -5.350 132 HB2 ARG 14 HB3 ARG 14 0.234 3.733 -4.381 133 HB3 ARG 14 HB2 ARG 14 0.186 4.805 -2.989 134 HG2 ARG 14 HG3 ARG 14 -1.604 5.298 -4.574 135 HG3 ARG 14 HG2 ARG 14 -0.492 6.658 -4.406 136 HD2 ARG 14 HD3 ARG 14 0.624 6.021 -6.471 137 HD3 ARG 14 HD2 ARG 14 -0.430 4.620 -6.630 138 HE ARG 14 HE ARG 14 -2.236 6.540 -6.613 139 HH11 ARG 14 HH11 ARG 14 0.864 6.455 -8.244 140 HH12 ARG 14 HH12 ARG 14 0.349 7.469 -9.555 141 HH21 ARG 14 HH22 ARG 14 -2.923 7.868 -8.349 142 HH22 ARG 14 HH21 ARG 14 -1.808 8.259 -9.621 143 H THR 15 H THR 15 1.274 5.974 -1.940 144 HA THR 15 HA THR 15 2.957 8.303 -2.022 145 HB THR 15 HB THR 15 0.018 8.822 -1.625 146 HG1 THR 15 HG1 THR 15 1.507 8.692 -4.023 147 HG21 THR 15 HG21 THR 15 2.255 10.669 -2.435 148 HG22 THR 15 HG22 THR 15 1.757 10.402 -0.765 149 HG23 THR 15 HG23 THR 15 0.627 11.112 -1.916 150 H VAL 16 H VAL 16 0.138 6.878 -0.297 151 HA VAL 16 HA VAL 16 1.507 7.207 2.242 152 HB VAL 16 HB VAL 16 -1.103 8.664 1.763 153 HG11 VAL 16 HG11 VAL 16 -0.996 7.695 3.990 154 HG12 VAL 16 HG12 VAL 16 -0.853 9.451 4.067 155 HG13 VAL 16 HG13 VAL 16 0.580 8.441 4.254 156 HG21 VAL 16 HG21 VAL 16 1.638 9.768 2.351 157 HG22 VAL 16 HG22 VAL 16 0.149 10.704 2.222 158 HG23 VAL 16 HG23 VAL 16 0.789 9.867 0.810 159 H ILE 17 H ILE 17 -1.943 6.888 1.299 160 HA ILE 17 HA ILE 17 -2.253 4.853 3.324 161 HB ILE 17 HB ILE 17 -3.982 6.565 3.036 162 HG12 ILE 17 HG13 ILE 17 -4.493 4.178 3.849 163 HG13 ILE 17 HG12 ILE 17 -5.848 5.201 3.397 164 HG21 ILE 17 HG21 ILE 17 -4.491 5.302 0.352 165 HG22 ILE 17 HG22 ILE 17 -3.862 6.920 0.656 166 HG23 ILE 17 HG23 ILE 17 -5.513 6.517 1.121 167 HD11 ILE 17 HD11 ILE 17 -6.390 3.162 2.462 168 HD12 ILE 17 HD12 ILE 17 -4.724 2.808 1.976 169 HD13 ILE 17 HD13 ILE 17 -5.670 4.025 1.106 170 H THR 18 H THR 18 -2.409 5.013 -0.204 171 HA THR 18 HA THR 18 -3.044 2.289 -0.608 172 HB THR 18 HB THR 18 -1.422 3.816 -2.598 173 HG1 THR 18 HG1 THR 18 -4.058 4.475 -2.749 174 HG21 THR 18 HG21 THR 18 -2.306 1.627 -3.191 175 HG22 THR 18 HG22 THR 18 -3.084 2.889 -4.142 176 HG23 THR 18 HG23 THR 18 -3.938 2.162 -2.785 177 H SER 19 H SER 19 -0.352 3.875 0.515 178 HA SER 19 HA SER 19 1.358 1.529 0.131 179 HB2 SER 19 HB3 SER 19 3.253 3.000 -0.017 180 HB3 SER 19 HB2 SER 19 2.022 3.656 -1.098 181 HG SER 19 HG SER 19 2.480 4.531 1.557 182 H HIS 20 H HIS 20 -0.553 1.962 2.272 183 HA HIS 20 HA HIS 20 0.803 3.037 4.554 184 HB2 HIS 20 HB3 HIS 20 -1.651 3.114 4.362 185 HB3 HIS 20 HB2 HIS 20 -1.710 1.357 4.418 186 HD1 HIS 20 HD1 HIS 20 -2.778 0.854 6.612 187 HD2 HIS 20 HD2 HIS 20 0.185 3.753 6.946 188 HE1 HIS 20 HE1 HIS 20 -2.554 1.316 9.071 189 HE2 HIS 20 HE2 HIS 20 -0.724 3.034 9.259 190 H ILE 21 H ILE 21 -0.576 -0.219 4.225 191 HA ILE 21 HA ILE 21 1.593 -1.302 5.827 192 HB ILE 21 HB ILE 21 -0.709 -2.790 4.560 193 HG12 ILE 21 HG13 ILE 21 -0.547 -1.693 7.370 194 HG13 ILE 21 HG12 ILE 21 -1.472 -0.951 6.068 195 HG21 ILE 21 HG21 ILE 21 1.114 -3.492 6.856 196 HG22 ILE 21 HG22 ILE 21 1.129 -4.222 5.249 197 HG23 ILE 21 HG23 ILE 21 -0.259 -4.456 6.311 198 HD11 ILE 21 HD11 ILE 21 -1.920 -3.705 7.187 199 HD12 ILE 21 HD12 ILE 21 -2.863 -2.936 5.911 200 HD13 ILE 21 HD13 ILE 21 -2.881 -2.272 7.546 201 H ASP 22 H ASP 22 2.876 -3.114 4.985 202 HA ASP 22 HA ASP 22 3.219 -2.999 2.076 203 HB2 ASP 22 HB3 ASP 22 4.547 -1.186 3.235 204 HB3 ASP 22 HB2 ASP 22 5.447 -2.437 4.052 205 H LYS 23 H LYS 23 4.306 -4.776 1.214 206 HA LYS 23 HA LYS 23 4.344 -7.150 2.814 207 HB2 LYS 23 HB3 LYS 23 5.524 -8.027 0.588 208 HB3 LYS 23 HB2 LYS 23 3.789 -7.799 0.718 209 HG2 LYS 23 HG3 LYS 23 4.641 -6.941 -1.385 210 HG3 LYS 23 HG2 LYS 23 3.966 -5.648 -0.400 211 HD2 LYS 23 HD3 LYS 23 6.645 -5.690 0.301 212 HD3 LYS 23 HD2 LYS 23 6.653 -5.989 -1.440 213 HE2 LYS 23 HE3 LYS 23 5.139 -3.748 -0.117 214 HE3 LYS 23 HE2 LYS 23 6.755 -3.558 -0.780 215 HZ1 LYS 23 HZ1 LYS 23 4.324 -4.340 -2.300 216 HZ2 LYS 23 HZ2 LYS 23 5.870 -4.141 -2.956 217 HZ3 LYS 23 HZ3 LYS 23 5.048 -2.809 -2.306 218 H VAL 24 H VAL 24 6.648 -4.709 2.452 219 HA VAL 24 HA VAL 24 8.690 -6.460 3.614 220 HB VAL 24 HB VAL 24 9.008 -6.618 1.139 221 HG11 VAL 24 HG11 VAL 24 9.750 -3.708 1.371 222 HG12 VAL 24 HG12 VAL 24 8.350 -4.361 0.522 223 HG13 VAL 24 HG13 VAL 24 9.978 -4.720 -0.055 224 HG21 VAL 24 HG21 VAL 24 10.853 -7.066 2.637 225 HG22 VAL 24 HG22 VAL 24 11.250 -5.349 2.704 226 HG23 VAL 24 HG23 VAL 24 11.437 -6.239 1.193 227 H LEU 25 H LEU 25 7.266 -3.467 3.128 228 HA LEU 25 HA LEU 25 7.300 -1.564 4.344 229 HB2 LEU 25 HB3 LEU 25 8.160 -2.910 6.260 230 HB3 LEU 25 HB2 LEU 25 9.791 -2.574 5.714 231 HG LEU 25 HG LEU 25 9.394 -0.158 6.065 232 HD11 LEU 25 HD11 LEU 25 6.996 -0.091 5.748 233 HD12 LEU 25 HD12 LEU 25 7.409 0.536 7.344 234 HD13 LEU 25 HD13 LEU 25 6.754 -1.092 7.179 235 HD21 LEU 25 HD21 LEU 25 8.832 -1.887 8.469 236 HD22 LEU 25 HD22 LEU 25 9.428 -0.230 8.504 237 HD23 LEU 25 HD23 LEU 25 10.425 -1.510 7.817 238 H ARG 26 H ARG 26 7.837 -1.107 1.990 239 HA ARG 26 HA ARG 26 10.406 0.372 1.890 240 HB2 ARG 26 HB3 ARG 26 10.412 0.001 -0.474 241 HB3 ARG 26 HB2 ARG 26 10.049 -1.552 0.279 242 HG2 ARG 26 HG3 ARG 26 7.564 -0.658 0.000 243 HG3 ARG 26 HG2 ARG 26 8.313 0.234 -1.321 244 HD2 ARG 26 HD3 ARG 26 8.817 -2.685 -1.053 245 HD3 ARG 26 HD2 ARG 26 7.277 -2.119 -1.690 246 HE ARG 26 HE ARG 26 9.905 -1.778 -2.928 247 HH11 ARG 26 HH11 ARG 26 6.446 -1.220 -3.010 248 HH12 ARG 26 HH12 ARG 26 6.390 -1.068 -4.741 249 HH21 ARG 26 HH22 ARG 26 9.845 -1.540 -5.199 250 HH22 ARG 26 HH21 ARG 26 8.332 -1.233 -5.987 251 HA PRO 27 HA PRO 27 6.324 2.510 0.277 252 HB2 PRO 27 HB2 PRO 27 4.946 3.639 2.310 253 HB3 PRO 27 HB3 PRO 27 4.702 1.959 1.798 254 HG2 PRO 27 HG3 PRO 27 6.277 3.033 4.101 255 HG3 PRO 27 HG2 PRO 27 5.212 1.617 4.032 256 HD2 PRO 27 HD3 PRO 27 7.932 1.467 3.883 257 HD3 PRO 27 HD2 PRO 27 6.843 0.282 3.135 258 H GLN 28 H GLN 28 5.800 4.783 -0.022 259 HA GLN 28 HA GLN 28 8.041 6.489 0.786 260 HB2 GLN 28 HB3 GLN 28 7.378 7.931 -1.109 261 HB3 GLN 28 HB2 GLN 28 7.766 6.292 -1.608 262 HG2 GLN 28 HG3 GLN 28 5.417 5.761 -1.816 263 HG3 GLN 28 HG2 GLN 28 4.975 7.358 -1.213 264 HE21 GLN 28 HE22 GLN 28 5.280 9.162 -2.540 265 HE22 GLN 28 HE21 GLN 28 5.507 9.007 -4.247 266 H GLY 29 H GLY 29 5.754 5.919 2.518 267 HA2 GLY 29 HA3 GLY 29 4.242 8.414 2.549 268 HA3 GLY 29 HA2 GLY 29 3.963 7.013 3.576 Start of MODEL 19 1 H1 ARG 1 H1 ARG 1 -8.490 5.383 1.359 2 H2 ARG 1 H2 ARG 1 -8.908 6.368 0.055 3 H3 ARG 1 H3 ARG 1 -7.452 5.515 0.031 4 HA ARG 1 HA ARG 1 -10.157 4.317 0.013 5 HB2 ARG 1 HB3 ARG 1 -9.343 5.523 -2.087 6 HB3 ARG 1 HB2 ARG 1 -8.094 4.292 -2.190 7 HG2 ARG 1 HG3 ARG 1 -9.757 3.542 -3.629 8 HG3 ARG 1 HG2 ARG 1 -10.012 2.602 -2.159 9 HD2 ARG 1 HD3 ARG 1 -11.506 5.140 -2.782 10 HD3 ARG 1 HD2 ARG 1 -12.089 3.545 -3.240 11 HE ARG 1 HE ARG 1 -11.834 3.136 -0.680 12 HH11 ARG 1 HH12 ARG 1 -12.958 6.064 -2.238 13 HH12 ARG 1 HH11 ARG 1 -14.028 6.497 -0.942 14 HH21 ARG 1 HH21 ARG 1 -13.241 3.703 1.030 15 HH22 ARG 1 HH22 ARG 1 -14.199 5.145 0.915 16 H LYS 2 H LYS 2 -9.666 2.834 1.659 17 HA LYS 2 HA LYS 2 -7.365 1.073 1.302 18 HB2 LYS 2 HB3 LYS 2 -9.557 0.921 3.386 19 HB3 LYS 2 HB2 LYS 2 -8.077 -0.017 3.367 20 HG2 LYS 2 HG3 LYS 2 -7.700 1.609 4.973 21 HG3 LYS 2 HG2 LYS 2 -6.865 2.223 3.555 22 HD2 LYS 2 HD3 LYS 2 -8.085 3.998 4.685 23 HD3 LYS 2 HD2 LYS 2 -8.755 3.702 3.082 24 HE2 LYS 2 HE3 LYS 2 -10.496 4.028 4.793 25 HE3 LYS 2 HE2 LYS 2 -10.583 2.443 4.034 26 HZ1 LYS 2 HZ1 LYS 2 -10.882 2.351 6.443 27 HZ2 LYS 2 HZ2 LYS 2 -9.336 2.993 6.673 28 HZ3 LYS 2 HZ3 LYS 2 -9.526 1.474 5.954 29 H CYS 3 H CYS 3 -7.507 -1.003 0.518 30 HA CYS 3 HA CYS 3 -10.158 -2.139 0.227 31 HB2 CYS 3 HB3 CYS 3 -9.808 -2.743 -2.130 32 HB3 CYS 3 HB2 CYS 3 -9.878 -1.011 -1.874 33 H ASN 4 H ASN 4 -7.086 -3.243 -1.231 34 HA ASN 4 HA ASN 4 -7.004 -5.410 0.721 35 HB2 ASN 4 HB3 ASN 4 -6.995 -7.157 -1.004 36 HB3 ASN 4 HB2 ASN 4 -8.499 -6.247 -1.026 37 HD21 ASN 4 HD22 ASN 4 -7.403 -7.854 -3.108 38 HD22 ASN 4 HD21 ASN 4 -7.147 -6.820 -4.471 39 H PHE 5 H PHE 5 -5.236 -6.905 -1.261 40 HA PHE 5 HA PHE 5 -2.765 -5.778 -0.440 41 HB2 PHE 5 HB3 PHE 5 -1.847 -7.489 -2.158 42 HB3 PHE 5 HB2 PHE 5 -2.637 -8.073 -0.702 43 HD1 PHE 5 HD2 PHE 5 -3.182 -7.428 -4.312 44 HD2 PHE 5 HD1 PHE 5 -4.494 -9.478 -0.824 45 HE1 PHE 5 HE2 PHE 5 -4.718 -8.769 -5.682 46 HE2 PHE 5 HE1 PHE 5 -6.034 -10.824 -2.188 47 HZ PHE 5 HZ PHE 5 -6.146 -10.468 -4.621 48 H LEU 6 H LEU 6 -1.096 -4.928 -1.739 49 HA LEU 6 HA LEU 6 -0.334 -3.209 -2.998 50 HB2 LEU 6 HB3 LEU 6 -2.198 -4.333 -5.102 51 HB3 LEU 6 HB2 LEU 6 -0.914 -3.184 -5.393 52 HG LEU 6 HG LEU 6 0.055 -5.123 -6.130 53 HD11 LEU 6 HD11 LEU 6 1.206 -4.101 -3.942 54 HD12 LEU 6 HD12 LEU 6 1.863 -5.464 -4.847 55 HD13 LEU 6 HD13 LEU 6 0.921 -5.753 -3.390 56 HD21 LEU 6 HD21 LEU 6 -1.742 -6.621 -5.613 57 HD22 LEU 6 HD22 LEU 6 -1.314 -6.601 -3.902 58 HD23 LEU 6 HD23 LEU 6 -0.217 -7.327 -5.076 59 H CYS 7 H CYS 7 -1.800 -2.105 -1.287 60 HA CYS 7 HA CYS 7 -3.518 -0.151 -2.433 61 HB2 CYS 7 HB3 CYS 7 -4.947 -2.106 -2.811 62 HB3 CYS 7 HB2 CYS 7 -4.844 -2.530 -1.110 63 H LYS 8 H LYS 8 -3.212 -2.177 0.451 64 HA LYS 8 HA LYS 8 -2.100 0.001 1.975 65 HB2 LYS 8 HB3 LYS 8 -4.491 0.361 2.413 66 HB3 LYS 8 HB2 LYS 8 -4.683 -1.333 2.844 67 HG2 LYS 8 HG3 LYS 8 -3.308 -1.058 4.791 68 HG3 LYS 8 HG2 LYS 8 -2.900 0.592 4.321 69 HD2 LYS 8 HD3 LYS 8 -4.564 0.679 6.044 70 HD3 LYS 8 HD2 LYS 8 -5.305 1.185 4.527 71 HE2 LYS 8 HE3 LYS 8 -6.857 -0.247 5.594 72 HE3 LYS 8 HE2 LYS 8 -6.146 -1.174 4.278 73 HZ1 LYS 8 HZ1 LYS 8 -6.326 -2.465 6.314 74 HZ2 LYS 8 HZ2 LYS 8 -5.352 -1.352 7.132 75 HZ3 LYS 8 HZ3 LYS 8 -4.707 -2.274 5.870 76 H LEU 9 H LEU 9 -3.415 -3.233 1.864 77 HA LEU 9 HA LEU 9 -1.882 -4.457 3.856 78 HB2 LEU 9 HB3 LEU 9 -3.134 -5.458 1.319 79 HB3 LEU 9 HB2 LEU 9 -2.205 -6.535 2.345 80 HG LEU 9 HG LEU 9 -3.792 -6.002 4.217 81 HD11 LEU 9 HD11 LEU 9 -5.969 -5.035 3.620 82 HD12 LEU 9 HD12 LEU 9 -5.349 -4.657 2.014 83 HD13 LEU 9 HD13 LEU 9 -4.653 -3.879 3.433 84 HD21 LEU 9 HD21 LEU 9 -4.987 -7.195 1.720 85 HD22 LEU 9 HD22 LEU 9 -5.580 -7.429 3.365 86 HD23 LEU 9 HD23 LEU 9 -3.992 -8.042 2.903 87 H LYS 10 H LYS 10 -1.313 -4.748 0.342 88 HA LYS 10 HA LYS 10 1.572 -4.599 0.901 89 HB2 LYS 10 HB3 LYS 10 0.298 -5.548 -1.664 90 HB3 LYS 10 HB2 LYS 10 1.985 -5.672 -1.209 91 HG2 LYS 10 HG3 LYS 10 1.400 -7.239 0.558 92 HG3 LYS 10 HG2 LYS 10 -0.300 -7.098 0.112 93 HD2 LYS 10 HD3 LYS 10 0.319 -7.902 -2.175 94 HD3 LYS 10 HD2 LYS 10 1.941 -8.217 -1.558 95 HE2 LYS 10 HE3 LYS 10 1.007 -9.749 0.104 96 HE3 LYS 10 HE2 LYS 10 -0.610 -9.428 -0.517 97 HZ1 LYS 10 HZ1 LYS 10 0.067 -10.363 -2.644 98 HZ2 LYS 10 HZ2 LYS 10 0.269 -11.489 -1.398 99 HZ3 LYS 10 HZ3 LYS 10 1.611 -10.682 -2.036 100 H GLU 11 H GLU 11 2.381 -3.796 -1.711 101 HA GLU 11 HA GLU 11 1.777 -0.977 -1.164 102 HB2 GLU 11 HB3 GLU 11 3.929 -0.452 -1.919 103 HB3 GLU 11 HB2 GLU 11 4.108 -1.900 -0.938 104 HG2 GLU 11 HG3 GLU 11 3.799 -2.094 -3.898 105 HG3 GLU 11 HG2 GLU 11 5.349 -1.682 -3.187 106 H LYS 12 H LYS 12 1.881 0.581 -2.822 107 HA LYS 12 HA LYS 12 2.045 -0.137 -5.596 108 HB2 LYS 12 HB3 LYS 12 -0.079 0.778 -6.265 109 HB3 LYS 12 HB2 LYS 12 -0.406 -0.417 -5.013 110 HG2 LYS 12 HG3 LYS 12 -0.271 1.612 -3.410 111 HG3 LYS 12 HG2 LYS 12 -0.541 2.554 -4.873 112 HD2 LYS 12 HD3 LYS 12 -2.317 0.252 -4.193 113 HD3 LYS 12 HD2 LYS 12 -2.534 1.828 -3.429 114 HE2 LYS 12 HE3 LYS 12 -2.792 2.864 -5.627 115 HE3 LYS 12 HE2 LYS 12 -2.498 1.312 -6.407 116 HZ1 LYS 12 HZ1 LYS 12 -4.859 1.873 -6.298 117 HZ2 LYS 12 HZ2 LYS 12 -4.786 1.907 -4.610 118 HZ3 LYS 12 HZ3 LYS 12 -4.518 0.459 -5.442 119 H LEU 13 H LEU 13 1.660 2.140 -6.827 120 HA LEU 13 HA LEU 13 3.531 3.948 -5.614 121 HB2 LEU 13 HB3 LEU 13 3.018 3.346 -8.155 122 HB3 LEU 13 HB2 LEU 13 1.927 4.705 -8.010 123 HG LEU 13 HG LEU 13 4.895 4.834 -7.463 124 HD11 LEU 13 HD11 LEU 13 4.437 4.369 -9.812 125 HD12 LEU 13 HD12 LEU 13 5.043 6.010 -9.593 126 HD13 LEU 13 HD13 LEU 13 3.325 5.736 -9.872 127 HD21 LEU 13 HD21 LEU 13 3.606 6.512 -6.243 128 HD22 LEU 13 HD22 LEU 13 2.827 7.011 -7.744 129 HD23 LEU 13 HD23 LEU 13 4.560 7.252 -7.527 130 H ARG 14 H ARG 14 2.322 4.482 -3.679 131 HA ARG 14 HA ARG 14 0.356 6.593 -4.190 132 HB2 ARG 14 HB3 ARG 14 -0.077 4.117 -2.691 133 HB3 ARG 14 HB2 ARG 14 -0.554 5.571 -1.826 134 HG2 ARG 14 HG3 ARG 14 -1.516 4.713 -4.549 135 HG3 ARG 14 HG2 ARG 14 -2.434 4.669 -3.040 136 HD2 ARG 14 HD3 ARG 14 -2.031 7.170 -2.898 137 HD3 ARG 14 HD2 ARG 14 -1.471 7.077 -4.564 138 HE ARG 14 HE ARG 14 -3.999 5.870 -4.377 139 HH11 ARG 14 HH11 ARG 14 -2.465 9.011 -4.255 140 HH12 ARG 14 HH12 ARG 14 -3.889 9.872 -4.742 141 HH21 ARG 14 HH22 ARG 14 -5.885 6.998 -5.022 142 HH22 ARG 14 HH21 ARG 14 -5.834 8.723 -5.191 143 H THR 15 H THR 15 2.416 5.141 -1.651 144 HA THR 15 HA THR 15 3.924 6.100 -0.274 145 HB THR 15 HB THR 15 3.276 8.741 -1.572 146 HG1 THR 15 HG1 THR 15 5.358 7.912 -2.758 147 HG21 THR 15 HG21 THR 15 5.590 9.300 -0.990 148 HG22 THR 15 HG22 THR 15 5.794 7.711 -0.252 149 HG23 THR 15 HG23 THR 15 4.669 8.873 0.453 150 H VAL 16 H VAL 16 0.657 6.811 -0.288 151 HA VAL 16 HA VAL 16 0.893 7.859 2.449 152 HB VAL 16 HB VAL 16 -1.334 8.546 0.533 153 HG11 VAL 16 HG11 VAL 16 -1.937 8.338 2.951 154 HG12 VAL 16 HG12 VAL 16 -2.194 9.946 2.264 155 HG13 VAL 16 HG13 VAL 16 -0.789 9.639 3.285 156 HG21 VAL 16 HG21 VAL 16 0.898 10.268 1.603 157 HG22 VAL 16 HG22 VAL 16 -0.437 10.816 0.593 158 HG23 VAL 16 HG23 VAL 16 0.750 9.684 -0.053 159 H ILE 17 H ILE 17 -2.035 6.818 0.691 160 HA ILE 17 HA ILE 17 -3.070 5.477 2.919 161 HB ILE 17 HB ILE 17 -4.395 6.315 0.958 162 HG12 ILE 17 HG13 ILE 17 -5.348 4.766 2.685 163 HG13 ILE 17 HG12 ILE 17 -6.157 4.715 1.128 164 HG21 ILE 17 HG21 ILE 17 -3.050 5.408 -0.844 165 HG22 ILE 17 HG22 ILE 17 -4.728 4.881 -0.978 166 HG23 ILE 17 HG23 ILE 17 -3.499 3.771 -0.372 167 HD11 ILE 17 HD11 ILE 17 -4.385 2.662 2.394 168 HD12 ILE 17 HD12 ILE 17 -4.712 2.644 0.661 169 HD13 ILE 17 HD13 ILE 17 -6.037 2.499 1.806 170 H THR 18 H THR 18 -1.276 4.239 0.154 171 HA THR 18 HA THR 18 -1.547 1.507 0.974 172 HB THR 18 HB THR 18 0.400 2.620 -1.033 173 HG1 THR 18 HG1 THR 18 -2.391 2.083 -1.216 174 HG21 THR 18 HG21 THR 18 0.255 0.437 -2.018 175 HG22 THR 18 HG22 THR 18 -1.044 -0.023 -0.919 176 HG23 THR 18 HG23 THR 18 0.583 0.238 -0.298 177 H SER 19 H SER 19 0.668 4.098 1.297 178 HA SER 19 HA SER 19 2.796 2.560 2.424 179 HB2 SER 19 HB3 SER 19 3.382 4.561 1.281 180 HB3 SER 19 HB2 SER 19 2.233 5.516 2.201 181 HG SER 19 HG SER 19 3.663 4.731 4.071 182 H HIS 20 H HIS 20 -0.025 2.573 3.555 183 HA HIS 20 HA HIS 20 0.400 3.519 6.252 184 HB2 HIS 20 HB3 HIS 20 -1.838 2.313 4.758 185 HB3 HIS 20 HB2 HIS 20 -1.770 1.897 6.468 186 HD1 HIS 20 HD1 HIS 20 -3.034 3.464 7.897 187 HD2 HIS 20 HD2 HIS 20 -1.611 5.322 4.466 188 HE1 HIS 20 HE1 HIS 20 -3.914 5.819 7.988 189 HE2 HIS 20 HE2 HIS 20 -2.878 6.970 5.998 190 H ILE 21 H ILE 21 0.478 0.419 4.538 191 HA ILE 21 HA ILE 21 1.740 -0.719 6.945 192 HB ILE 21 HB ILE 21 -0.141 -2.221 5.117 193 HG12 ILE 21 HG13 ILE 21 -0.549 -1.275 7.966 194 HG13 ILE 21 HG12 ILE 21 -1.323 -0.585 6.544 195 HG21 ILE 21 HG21 ILE 21 0.064 -4.028 6.746 196 HG22 ILE 21 HG22 ILE 21 1.203 -3.064 7.685 197 HG23 ILE 21 HG23 ILE 21 1.637 -3.611 6.065 198 HD11 ILE 21 HD11 ILE 21 -2.442 -2.722 6.135 199 HD12 ILE 21 HD12 ILE 21 -2.835 -2.055 7.718 200 HD13 ILE 21 HD13 ILE 21 -1.684 -3.383 7.582 201 H ASP 22 H ASP 22 1.109 -1.767 3.592 202 HA ASP 22 HA ASP 22 2.429 -2.653 1.971 203 HB2 ASP 22 HB3 ASP 22 3.911 -0.717 2.177 204 HB3 ASP 22 HB2 ASP 22 4.747 -1.470 3.522 205 H LYS 23 H LYS 23 3.852 -4.427 1.529 206 HA LYS 23 HA LYS 23 3.589 -6.489 3.457 207 HB2 LYS 23 HB3 LYS 23 5.045 -7.789 1.814 208 HB3 LYS 23 HB2 LYS 23 3.500 -7.199 1.226 209 HG2 LYS 23 HG3 LYS 23 4.949 -6.744 -0.518 210 HG3 LYS 23 HG2 LYS 23 4.845 -5.199 0.324 211 HD2 LYS 23 HD3 LYS 23 6.938 -5.776 1.523 212 HD3 LYS 23 HD2 LYS 23 7.060 -7.233 0.534 213 HE2 LYS 23 HE3 LYS 23 7.025 -5.750 -1.482 214 HE3 LYS 23 HE2 LYS 23 7.129 -4.369 -0.390 215 HZ1 LYS 23 HZ1 LYS 23 9.299 -4.993 -1.227 216 HZ2 LYS 23 HZ2 LYS 23 9.127 -6.555 -0.613 217 HZ3 LYS 23 HZ3 LYS 23 9.230 -5.239 0.441 218 H VAL 24 H VAL 24 6.048 -4.109 2.905 219 HA VAL 24 HA VAL 24 7.488 -5.216 5.194 220 HB VAL 24 HB VAL 24 8.939 -4.618 2.602 221 HG11 VAL 24 HG11 VAL 24 10.053 -5.234 5.340 222 HG12 VAL 24 HG12 VAL 24 10.187 -3.701 4.479 223 HG13 VAL 24 HG13 VAL 24 10.996 -5.138 3.854 224 HG21 VAL 24 HG21 VAL 24 9.720 -6.912 2.749 225 HG22 VAL 24 HG22 VAL 24 7.958 -6.874 2.744 226 HG23 VAL 24 HG23 VAL 24 8.830 -7.142 4.252 227 H LEU 25 H LEU 25 8.447 -2.710 2.852 228 HA LEU 25 HA LEU 25 7.598 -0.496 4.347 229 HB2 LEU 25 HB3 LEU 25 9.309 -1.437 5.929 230 HB3 LEU 25 HB2 LEU 25 10.529 -1.121 4.713 231 HG LEU 25 HG LEU 25 10.022 1.295 4.851 232 HD11 LEU 25 HD11 LEU 25 7.701 1.170 5.545 233 HD12 LEU 25 HD12 LEU 25 8.637 2.120 6.699 234 HD13 LEU 25 HD13 LEU 25 8.180 0.461 7.086 235 HD21 LEU 25 HD21 LEU 25 10.676 -0.010 7.489 236 HD22 LEU 25 HD22 LEU 25 11.026 1.662 7.050 237 HD23 LEU 25 HD23 LEU 25 11.818 0.340 6.193 238 H ARG 26 H ARG 26 7.594 -1.160 1.627 239 HA ARG 26 HA ARG 26 9.125 1.141 0.635 240 HB2 ARG 26 HB3 ARG 26 9.659 -0.170 -1.472 241 HB3 ARG 26 HB2 ARG 26 10.568 -0.600 -0.034 242 HG2 ARG 26 HG3 ARG 26 10.073 -2.685 -0.737 243 HG3 ARG 26 HG2 ARG 26 8.599 -2.385 0.183 244 HD2 ARG 26 HD3 ARG 26 8.099 -3.343 -2.007 245 HD3 ARG 26 HD2 ARG 26 7.446 -1.708 -1.866 246 HE ARG 26 HE ARG 26 10.009 -1.593 -3.025 247 HH11 ARG 26 HH11 ARG 26 6.801 -2.752 -3.783 248 HH12 ARG 26 HH12 ARG 26 6.940 -2.402 -5.481 249 HH21 ARG 26 HH22 ARG 26 10.216 -1.164 -5.253 250 HH22 ARG 26 HH21 ARG 26 8.890 -1.501 -6.320 251 HA PRO 27 HA PRO 27 4.711 0.571 -0.761 252 HB2 PRO 27 HB2 PRO 27 3.699 2.667 0.830 253 HB3 PRO 27 HB3 PRO 27 3.506 0.927 1.090 254 HG2 PRO 27 HG3 PRO 27 4.950 2.666 2.729 255 HG3 PRO 27 HG2 PRO 27 5.090 0.900 2.720 256 HD2 PRO 27 HD3 PRO 27 6.830 2.951 1.432 257 HD3 PRO 27 HD2 PRO 27 7.268 1.394 2.170 258 H GLN 28 H GLN 28 6.693 2.098 -2.113 259 HA GLN 28 HA GLN 28 5.088 4.419 -2.960 260 HB2 GLN 28 HB3 GLN 28 8.062 3.962 -3.241 261 HB3 GLN 28 HB2 GLN 28 7.194 5.321 -3.936 262 HG2 GLN 28 HG3 GLN 28 8.070 6.224 -2.008 263 HG3 GLN 28 HG2 GLN 28 6.435 5.777 -1.511 264 HE21 GLN 28 HE22 GLN 28 7.078 5.693 0.655 265 HE22 GLN 28 HE21 GLN 28 8.025 4.388 1.274 266 H GLY 29 H GLY 29 5.802 1.328 -3.756 267 HA2 GLY 29 HA3 GLY 29 4.746 0.336 -5.651 268 HA3 GLY 29 HA2 GLY 29 5.027 1.823 -6.544 Start of MODEL 20 1 H1 ARG 1 H1 ARG 1 -8.952 3.757 3.228 2 H2 ARG 1 H2 ARG 1 -9.357 2.979 4.668 3 H3 ARG 1 H3 ARG 1 -10.417 4.105 4.001 4 HA ARG 1 HA ARG 1 -11.257 1.932 3.571 5 HB2 ARG 1 HB3 ARG 1 -10.019 3.255 1.153 6 HB3 ARG 1 HB2 ARG 1 -11.100 1.878 1.029 7 HG2 ARG 1 HG3 ARG 1 -12.457 3.720 0.628 8 HG3 ARG 1 HG2 ARG 1 -12.784 3.308 2.310 9 HD2 ARG 1 HD3 ARG 1 -11.252 5.069 3.032 10 HD3 ARG 1 HD2 ARG 1 -10.912 5.470 1.353 11 HE ARG 1 HE ARG 1 -13.632 5.683 1.603 12 HH11 ARG 1 HH12 ARG 1 -10.889 7.080 3.262 13 HH12 ARG 1 HH11 ARG 1 -11.672 8.599 3.551 14 HH21 ARG 1 HH21 ARG 1 -14.677 7.682 1.985 15 HH22 ARG 1 HH22 ARG 1 -13.834 8.941 2.828 16 H LYS 2 H LYS 2 -10.683 -0.143 3.818 17 HA LYS 2 HA LYS 2 -7.968 -0.925 3.067 18 HB2 LYS 2 HB3 LYS 2 -10.022 -2.618 4.502 19 HB3 LYS 2 HB2 LYS 2 -8.307 -2.960 4.303 20 HG2 LYS 2 HG3 LYS 2 -8.364 -2.210 6.467 21 HG3 LYS 2 HG2 LYS 2 -8.003 -0.713 5.605 22 HD2 LYS 2 HD3 LYS 2 -10.368 -0.098 5.679 23 HD3 LYS 2 HD2 LYS 2 -10.741 -1.605 6.517 24 HE2 LYS 2 HE3 LYS 2 -9.301 -0.915 8.379 25 HE3 LYS 2 HE2 LYS 2 -8.957 0.601 7.545 26 HZ1 LYS 2 HZ1 LYS 2 -10.662 0.965 9.163 27 HZ2 LYS 2 HZ2 LYS 2 -11.596 -0.308 8.559 28 HZ3 LYS 2 HZ3 LYS 2 -11.362 1.083 7.631 29 H CYS 3 H CYS 3 -8.542 -0.668 0.827 30 HA CYS 3 HA CYS 3 -10.513 -2.117 -0.506 31 HB2 CYS 3 HB3 CYS 3 -8.567 -1.796 -2.395 32 HB3 CYS 3 HB2 CYS 3 -9.730 -0.554 -1.927 33 H ASN 4 H ASN 4 -7.024 -2.824 -0.815 34 HA ASN 4 HA ASN 4 -7.145 -5.533 -0.154 35 HB2 ASN 4 HB3 ASN 4 -7.149 -6.633 -2.321 36 HB3 ASN 4 HB2 ASN 4 -8.621 -5.685 -2.160 37 HD21 ASN 4 HD22 ASN 4 -7.227 -6.659 -4.537 38 HD22 ASN 4 HD21 ASN 4 -6.883 -5.263 -5.502 39 H PHE 5 H PHE 5 -5.301 -6.661 -1.800 40 HA PHE 5 HA PHE 5 -2.866 -5.506 -1.092 41 HB2 PHE 5 HB3 PHE 5 -1.994 -6.982 -3.036 42 HB3 PHE 5 HB2 PHE 5 -2.688 -7.748 -1.609 43 HD1 PHE 5 HD2 PHE 5 -3.362 -6.814 -5.122 44 HD2 PHE 5 HD1 PHE 5 -4.634 -9.085 -1.757 45 HE1 PHE 5 HE2 PHE 5 -4.972 -8.012 -6.541 46 HE2 PHE 5 HE1 PHE 5 -6.246 -10.287 -3.174 47 HZ PHE 5 HZ PHE 5 -6.417 -9.749 -5.569 48 H LEU 6 H LEU 6 -1.220 -4.660 -2.467 49 HA LEU 6 HA LEU 6 -0.473 -2.894 -3.622 50 HB2 LEU 6 HB3 LEU 6 -2.397 -4.034 -5.636 51 HB3 LEU 6 HB2 LEU 6 -1.310 -2.712 -6.003 52 HG LEU 6 HG LEU 6 -0.263 -4.627 -6.867 53 HD11 LEU 6 HD11 LEU 6 0.989 -4.219 -4.157 54 HD12 LEU 6 HD12 LEU 6 1.238 -3.188 -5.567 55 HD13 LEU 6 HD13 LEU 6 1.771 -4.868 -5.601 56 HD21 LEU 6 HD21 LEU 6 -1.600 -6.334 -5.812 57 HD22 LEU 6 HD22 LEU 6 -0.835 -6.013 -4.257 58 HD23 LEU 6 HD23 LEU 6 0.111 -6.685 -5.584 59 H CYS 7 H CYS 7 -2.494 -2.242 -1.751 60 HA CYS 7 HA CYS 7 -3.550 0.197 -2.830 61 HB2 CYS 7 HB3 CYS 7 -5.158 -1.566 -3.649 62 HB3 CYS 7 HB2 CYS 7 -5.568 -1.877 -1.966 63 H LYS 8 H LYS 8 -4.137 -2.148 -0.143 64 HA LYS 8 HA LYS 8 -2.829 -0.347 1.694 65 HB2 LYS 8 HB3 LYS 8 -5.225 0.485 1.623 66 HB3 LYS 8 HB2 LYS 8 -5.716 -1.073 2.276 67 HG2 LYS 8 HG3 LYS 8 -4.223 -0.649 4.227 68 HG3 LYS 8 HG2 LYS 8 -3.940 0.969 3.592 69 HD2 LYS 8 HD3 LYS 8 -6.270 1.519 3.810 70 HD3 LYS 8 HD2 LYS 8 -6.652 -0.139 4.278 71 HE2 LYS 8 HE3 LYS 8 -4.900 1.770 5.818 72 HE3 LYS 8 HE2 LYS 8 -6.564 1.348 6.217 73 HZ1 LYS 8 HZ1 LYS 8 -4.299 -0.567 6.123 74 HZ2 LYS 8 HZ2 LYS 8 -5.889 -0.929 6.559 75 HZ3 LYS 8 HZ3 LYS 8 -4.955 0.093 7.531 76 H LEU 9 H LEU 9 -2.235 -2.837 0.724 77 HA LEU 9 HA LEU 9 -2.248 -4.458 3.157 78 HB2 LEU 9 HB3 LEU 9 -3.509 -5.253 0.611 79 HB3 LEU 9 HB2 LEU 9 -2.470 -6.458 1.342 80 HG LEU 9 HG LEU 9 -3.890 -6.050 3.474 81 HD11 LEU 9 HD11 LEU 9 -5.786 -5.019 1.374 82 HD12 LEU 9 HD12 LEU 9 -5.037 -4.053 2.645 83 HD13 LEU 9 HD13 LEU 9 -6.169 -5.339 3.065 84 HD21 LEU 9 HD21 LEU 9 -5.522 -7.712 2.734 85 HD22 LEU 9 HD22 LEU 9 -3.891 -8.120 2.198 86 HD23 LEU 9 HD23 LEU 9 -5.048 -7.431 1.058 87 H LYS 10 H LYS 10 -1.144 -4.624 -0.258 88 HA LYS 10 HA LYS 10 1.511 -5.416 0.766 89 HB2 LYS 10 HB3 LYS 10 0.172 -6.118 -1.839 90 HB3 LYS 10 HB2 LYS 10 1.881 -6.393 -1.537 91 HG2 LYS 10 HG3 LYS 10 1.101 -7.707 0.526 92 HG3 LYS 10 HG2 LYS 10 -0.485 -7.695 -0.247 93 HD2 LYS 10 HD3 LYS 10 2.056 -8.748 -1.490 94 HD3 LYS 10 HD2 LYS 10 0.795 -9.738 -0.757 95 HE2 LYS 10 HE3 LYS 10 -0.804 -8.947 -2.417 96 HE3 LYS 10 HE2 LYS 10 0.432 -7.917 -3.132 97 HZ1 LYS 10 HZ1 LYS 10 0.590 -10.874 -2.968 98 HZ2 LYS 10 HZ2 LYS 10 1.690 -9.852 -3.746 99 HZ3 LYS 10 HZ3 LYS 10 0.116 -10.011 -4.341 100 H GLU 11 H GLU 11 0.046 -3.648 -1.963 101 HA GLU 11 HA GLU 11 0.477 -1.597 -2.801 102 HB2 GLU 11 HB3 GLU 11 2.150 -1.429 -0.336 103 HB3 GLU 11 HB2 GLU 11 2.095 -0.117 -1.508 104 HG2 GLU 11 HG3 GLU 11 0.518 0.317 0.222 105 HG3 GLU 11 HG2 GLU 11 -0.347 -0.050 -1.266 106 H LYS 12 H LYS 12 2.261 -0.091 -3.495 107 HA LYS 12 HA LYS 12 4.598 -1.497 -4.473 108 HB2 LYS 12 HB3 LYS 12 4.138 -0.988 -6.807 109 HB3 LYS 12 HB2 LYS 12 2.825 -1.942 -6.137 110 HG2 LYS 12 HG3 LYS 12 2.613 1.032 -6.236 111 HG3 LYS 12 HG2 LYS 12 2.333 0.076 -7.688 112 HD2 LYS 12 HD3 LYS 12 0.661 -1.258 -6.330 113 HD3 LYS 12 HD2 LYS 12 0.818 -0.007 -5.087 114 HE2 LYS 12 HE3 LYS 12 -0.019 1.661 -6.517 115 HE3 LYS 12 HE2 LYS 12 0.193 0.647 -7.944 116 HZ1 LYS 12 HZ1 LYS 12 -2.137 0.835 -7.264 117 HZ2 LYS 12 HZ2 LYS 12 -1.775 0.139 -5.766 118 HZ3 LYS 12 HZ3 LYS 12 -1.598 -0.762 -7.186 119 H LEU 13 H LEU 13 2.710 1.489 -4.347 120 HA LEU 13 HA LEU 13 4.784 3.027 -3.280 121 HB2 LEU 13 HB3 LEU 13 5.572 2.734 -5.701 122 HB3 LEU 13 HB2 LEU 13 4.212 3.740 -6.157 123 HG LEU 13 HG LEU 13 5.127 5.599 -4.842 124 HD11 LEU 13 HD11 LEU 13 7.413 5.428 -3.933 125 HD12 LEU 13 HD12 LEU 13 7.389 3.695 -4.265 126 HD13 LEU 13 HD13 LEU 13 6.263 4.386 -3.096 127 HD21 LEU 13 HD21 LEU 13 5.745 5.395 -7.189 128 HD22 LEU 13 HD22 LEU 13 7.116 4.378 -6.750 129 HD23 LEU 13 HD23 LEU 13 7.074 6.067 -6.246 130 H ARG 14 H ARG 14 3.495 5.235 -5.253 131 HA ARG 14 HA ARG 14 1.714 6.612 -5.345 132 HB2 ARG 14 HB3 ARG 14 0.325 4.561 -5.427 133 HB3 ARG 14 HB2 ARG 14 0.213 4.598 -3.674 134 HG2 ARG 14 HG3 ARG 14 -1.781 5.506 -4.803 135 HG3 ARG 14 HG2 ARG 14 -0.994 6.674 -3.740 136 HD2 ARG 14 HD3 ARG 14 -1.679 7.692 -5.862 137 HD3 ARG 14 HD2 ARG 14 0.068 7.731 -5.653 138 HE ARG 14 HE ARG 14 -1.079 5.548 -7.222 139 HH11 ARG 14 HH11 ARG 14 0.704 8.559 -7.130 140 HH12 ARG 14 HH12 ARG 14 1.294 8.410 -8.753 141 HH21 ARG 14 HH22 ARG 14 -0.296 5.347 -9.369 142 HH22 ARG 14 HH21 ARG 14 0.720 6.590 -10.025 143 H THR 15 H THR 15 2.855 5.470 -2.289 144 HA THR 15 HA THR 15 3.222 6.498 -0.306 145 HB THR 15 HB THR 15 4.904 7.588 -1.641 146 HG1 THR 15 HG1 THR 15 3.628 9.457 0.092 147 HG21 THR 15 HG21 THR 15 4.603 9.790 -2.649 148 HG22 THR 15 HG22 THR 15 2.895 9.769 -2.208 149 HG23 THR 15 HG23 THR 15 3.518 8.611 -3.383 150 H VAL 16 H VAL 16 1.128 6.289 0.538 151 HA VAL 16 HA VAL 16 -0.178 8.515 1.529 152 HB VAL 16 HB VAL 16 -0.613 8.799 -0.991 153 HG11 VAL 16 HG11 VAL 16 -1.227 6.304 -1.187 154 HG12 VAL 16 HG12 VAL 16 -2.124 7.500 -2.134 155 HG13 VAL 16 HG13 VAL 16 -2.829 6.834 -0.662 156 HG21 VAL 16 HG21 VAL 16 -2.925 8.811 0.940 157 HG22 VAL 16 HG22 VAL 16 -2.939 9.577 -0.645 158 HG23 VAL 16 HG23 VAL 16 -1.811 10.126 0.592 159 H ILE 17 H ILE 17 -2.918 7.356 1.400 160 HA ILE 17 HA ILE 17 -2.911 5.380 3.318 161 HB ILE 17 HB ILE 17 -4.952 6.527 2.736 162 HG12 ILE 17 HG13 ILE 17 -4.974 4.041 3.551 163 HG13 ILE 17 HG12 ILE 17 -6.471 4.800 3.033 164 HG21 ILE 17 HG21 ILE 17 -4.654 6.883 0.395 165 HG22 ILE 17 HG22 ILE 17 -6.176 6.027 0.641 166 HG23 ILE 17 HG23 ILE 17 -4.756 5.153 0.067 167 HD11 ILE 17 HD11 ILE 17 -6.526 2.670 2.084 168 HD12 ILE 17 HD12 ILE 17 -4.824 2.725 1.602 169 HD13 ILE 17 HD13 ILE 17 -6.023 3.716 0.758 170 H THR 18 H THR 18 -2.418 5.117 -0.129 171 HA THR 18 HA THR 18 -2.672 2.378 -0.489 172 HB THR 18 HB THR 18 -0.583 4.118 -1.833 173 HG1 THR 18 HG1 THR 18 -3.364 3.776 -2.429 174 HG21 THR 18 HG21 THR 18 -0.957 2.596 -3.732 175 HG22 THR 18 HG22 THR 18 -2.096 1.665 -2.761 176 HG23 THR 18 HG23 THR 18 -0.394 1.727 -2.306 177 H SER 19 H SER 19 0.497 3.922 -0.480 178 HA SER 19 HA SER 19 1.822 1.590 0.446 179 HB2 SER 19 HB3 SER 19 2.823 3.315 -1.057 180 HB3 SER 19 HB2 SER 19 2.873 4.422 0.313 181 HG SER 19 HG SER 19 4.129 1.877 0.301 182 H HIS 20 H HIS 20 0.255 1.529 2.365 183 HA HIS 20 HA HIS 20 1.298 3.146 4.598 184 HB2 HIS 20 HB3 HIS 20 -1.082 3.581 4.004 185 HB3 HIS 20 HB2 HIS 20 -1.442 1.896 4.355 186 HD1 HIS 20 HD1 HIS 20 0.513 4.505 6.331 187 HD2 HIS 20 HD2 HIS 20 -2.653 1.839 6.754 188 HE1 HIS 20 HE1 HIS 20 -0.212 4.680 8.737 189 HE2 HIS 20 HE2 HIS 20 -2.201 3.147 8.937 190 H ILE 21 H ILE 21 -0.368 0.021 4.045 191 HA ILE 21 HA ILE 21 0.995 -1.123 6.318 192 HB ILE 21 HB ILE 21 -0.718 -2.444 4.200 193 HG12 ILE 21 HG13 ILE 21 -1.252 -1.574 7.046 194 HG13 ILE 21 HG12 ILE 21 -2.027 -0.972 5.586 195 HG21 ILE 21 HG21 ILE 21 -0.732 -4.395 5.699 196 HG22 ILE 21 HG22 ILE 21 0.427 -3.583 6.752 197 HG23 ILE 21 HG23 ILE 21 0.890 -4.029 5.109 198 HD11 ILE 21 HD11 ILE 21 -3.073 -3.146 5.246 199 HD12 ILE 21 HD12 ILE 21 -3.492 -2.460 6.816 200 HD13 ILE 21 HD13 ILE 21 -2.294 -3.749 6.709 201 H ASP 22 H ASP 22 0.877 -2.009 2.856 202 HA ASP 22 HA ASP 22 2.534 -2.415 1.352 203 HB2 ASP 22 HB3 ASP 22 3.455 -0.313 2.430 204 HB3 ASP 22 HB2 ASP 22 4.445 -1.356 3.432 205 H LYS 23 H LYS 23 3.881 -4.131 0.788 206 HA LYS 23 HA LYS 23 4.202 -6.221 2.706 207 HB2 LYS 23 HB3 LYS 23 5.677 -7.231 0.792 208 HB3 LYS 23 HB2 LYS 23 3.933 -7.165 0.646 209 HG2 LYS 23 HG3 LYS 23 4.914 -6.566 -1.447 210 HG3 LYS 23 HG2 LYS 23 4.161 -5.136 -0.752 211 HD2 LYS 23 HD3 LYS 23 7.026 -5.530 -0.139 212 HD3 LYS 23 HD2 LYS 23 6.630 -5.154 -1.818 213 HE2 LYS 23 HE3 LYS 23 5.722 -3.567 0.571 214 HE3 LYS 23 HE2 LYS 23 7.090 -3.135 -0.440 215 HZ1 LYS 23 HZ1 LYS 23 5.635 -2.833 -2.294 216 HZ2 LYS 23 HZ2 LYS 23 5.031 -1.940 -0.986 217 HZ3 LYS 23 HZ3 LYS 23 4.306 -3.409 -1.425 218 H VAL 24 H VAL 24 5.539 -3.614 3.162 219 HA VAL 24 HA VAL 24 7.358 -2.854 4.247 220 HB VAL 24 HB VAL 24 8.105 -5.757 4.638 221 HG11 VAL 24 HG11 VAL 24 8.820 -3.285 6.213 222 HG12 VAL 24 HG12 VAL 24 9.908 -4.209 5.177 223 HG13 VAL 24 HG13 VAL 24 9.254 -4.939 6.644 224 HG21 VAL 24 HG21 VAL 24 6.894 -5.602 6.766 225 HG22 VAL 24 HG22 VAL 24 5.821 -5.365 5.387 226 HG23 VAL 24 HG23 VAL 24 6.359 -3.978 6.336 227 H LEU 25 H LEU 25 7.937 -2.141 2.034 228 HA LEU 25 HA LEU 25 10.724 -2.865 1.665 229 HB2 LEU 25 HB3 LEU 25 9.350 -4.306 0.097 230 HB3 LEU 25 HB2 LEU 25 8.902 -2.830 -0.732 231 HG LEU 25 HG LEU 25 11.197 -2.419 -1.372 232 HD11 LEU 25 HD11 LEU 25 12.356 -3.248 0.574 233 HD12 LEU 25 HD12 LEU 25 12.953 -4.084 -0.858 234 HD13 LEU 25 HD13 LEU 25 11.828 -4.894 0.229 235 HD21 LEU 25 HD21 LEU 25 9.881 -3.861 -2.821 236 HD22 LEU 25 HD22 LEU 25 10.372 -5.274 -1.888 237 HD23 LEU 25 HD23 LEU 25 11.570 -4.369 -2.814 238 H ARG 26 H ARG 26 7.995 -0.776 0.774 239 HA ARG 26 HA ARG 26 9.691 1.495 1.273 240 HB2 ARG 26 HB3 ARG 26 9.294 2.629 -0.864 241 HB3 ARG 26 HB2 ARG 26 10.204 1.146 -1.080 242 HG2 ARG 26 HG3 ARG 26 7.239 1.142 -1.460 243 HG3 ARG 26 HG2 ARG 26 8.297 1.753 -2.731 244 HD2 ARG 26 HD3 ARG 26 8.531 -0.972 -1.470 245 HD3 ARG 26 HD2 ARG 26 7.691 -0.643 -2.983 246 HE ARG 26 HE ARG 26 10.477 0.191 -2.820 247 HH11 ARG 26 HH11 ARG 26 8.165 -2.189 -3.950 248 HH12 ARG 26 HH12 ARG 26 9.259 -2.887 -5.097 249 HH21 ARG 26 HH22 ARG 26 11.903 -0.725 -4.334 250 HH22 ARG 26 HH21 ARG 26 11.383 -2.058 -5.315 251 HA PRO 27 HA PRO 27 5.106 2.094 2.188 252 HB2 PRO 27 HB2 PRO 27 5.984 2.220 4.998 253 HB3 PRO 27 HB3 PRO 27 4.644 1.306 4.279 254 HG2 PRO 27 HG3 PRO 27 6.839 0.068 5.169 255 HG3 PRO 27 HG2 PRO 27 5.990 -0.466 3.704 256 HD2 PRO 27 HD3 PRO 27 8.476 1.215 3.932 257 HD3 PRO 27 HD2 PRO 27 8.165 -0.183 2.877 258 H GLN 28 H GLN 28 4.795 4.229 1.721 259 HA GLN 28 HA GLN 28 6.508 6.174 3.137 260 HB2 GLN 28 HB3 GLN 28 5.245 6.838 0.511 261 HB3 GLN 28 HB2 GLN 28 6.702 7.491 1.244 262 HG2 GLN 28 HG3 GLN 28 7.684 5.142 0.871 263 HG3 GLN 28 HG2 GLN 28 6.321 4.921 -0.232 264 HE21 GLN 28 HE22 GLN 28 6.395 7.825 -0.898 265 HE22 GLN 28 HE21 GLN 28 7.706 7.986 -2.011 266 H GLY 29 H GLY 29 3.569 5.035 3.417 267 HA2 GLY 29 HA3 GLY 29 2.375 7.703 3.828 268 HA3 GLY 29 HA2 GLY 29 1.457 6.382 3.123
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