NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21847 | 2i9o | 7284 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ARG 1 HA ARG 1 -2.126 6.566 -10.056 2 HE ARG 1 HE ARG 1 1.957 3.922 -7.793 3 H1 ARG 1 1H ARG 1 -4.275 5.889 -8.878 4 HB2 ARG 1 1HB ARG 1 -2.610 4.545 -8.408 5 HB3 ARG 1 2HB ARG 1 -2.520 3.558 -9.854 6 HG2 ARG 1 1HG ARG 1 -0.244 3.932 -10.148 7 HG3 ARG 1 2HG ARG 1 -0.306 5.547 -9.472 8 HD2 ARG 1 1HD ARG 1 -0.873 4.252 -7.204 9 HD3 ARG 1 2HD ARG 1 -0.132 2.893 -8.025 10 HH11 ARG 1 1HH1 ARG 1 -0.569 6.357 -7.296 11 HH12 ARG 1 2HH1 ARG 1 0.543 7.588 -6.799 12 HH21 ARG 1 1HH2 ARG 1 2.885 7.090 -6.713 13 H GLY 2 H GLY 2 -4.105 3.830 -11.432 14 HA2 GLY 2 1HA GLY 2 -4.517 4.158 -13.891 15 HA3 GLY 2 2HA GLY 2 -2.776 4.298 -14.031 16 H LYS 3 H LYS 3 -3.949 2.326 -15.515 17 HA LYS 3 HA LYS 3 -4.514 -0.089 -14.463 18 HB2 LYS 3 1HB LYS 3 -3.866 -1.033 -16.554 19 HB3 LYS 3 2HB LYS 3 -4.515 0.562 -16.876 20 HG2 LYS 3 1HG LYS 3 -1.611 0.631 -16.357 21 HG3 LYS 3 2HG LYS 3 -2.013 -0.410 -17.708 22 HD2 LYS 3 1HD LYS 3 -2.121 1.477 -18.971 23 HD3 LYS 3 2HD LYS 3 -3.636 1.820 -18.161 24 HE2 LYS 3 1HE LYS 3 -2.105 2.876 -16.278 25 HE3 LYS 3 2HE LYS 3 -0.872 2.898 -17.523 26 HZ1 LYS 3 2HZ LYS 3 -3.326 4.461 -17.371 27 HZ3 LYS 3 1HZ LYS 3 -2.897 3.978 -18.866 28 H TRP 4 H TRP 4 -3.318 -2.009 -13.904 29 HA TRP 4 HA TRP 4 -0.481 -1.579 -13.365 30 HD1 TRP 4 HD1 TRP 4 -4.149 -0.767 -11.066 31 HE1 TRP 4 HE1 TRP 4 -6.046 -2.340 -10.122 32 HE3 TRP 4 HE3 TRP 4 -1.321 -4.992 -10.961 33 HZ2 TRP 4 HZ2 TRP 4 -6.149 -5.112 -9.452 34 HZ3 TRP 4 HZ3 TRP 4 -2.396 -7.089 -10.148 35 HH2 TRP 4 HH2 TRP 4 -4.724 -7.193 -9.410 36 HB2 TRP 4 1HB TRP 4 -0.744 -2.533 -11.100 37 HB3 TRP 4 2HB TRP 4 -1.449 -0.940 -11.295 38 H THR 5 H THR 5 0.565 -3.266 -14.324 39 HA THR 5 HA THR 5 -0.885 -5.522 -15.268 40 HB THR 5 HB THR 5 2.081 -4.782 -15.113 41 HG1 THR 5 HG1 THR 5 0.715 -3.499 -16.522 42 HG21 THR 5 3HG2 THR 5 0.856 -6.834 -16.992 43 HG22 THR 5 1HG2 THR 5 2.569 -6.594 -16.573 44 HG23 THR 5 2HG2 THR 5 1.462 -7.342 -15.397 45 H TYR 6 H TYR 6 -0.614 -7.754 -14.712 46 HA TYR 6 HA TYR 6 0.239 -8.092 -11.915 47 HD1 TYR 6 HD1 TYR 6 -2.689 -11.524 -12.574 48 HD2 TYR 6 HD2 TYR 6 -0.981 -8.518 -10.054 49 HE1 TYR 6 HE1 TYR 6 -3.006 -13.030 -10.550 50 HE2 TYR 6 HE2 TYR 6 -1.304 -10.034 -8.039 51 HH TYR 6 HH TYR 6 -3.305 -12.433 -7.893 52 HB2 TYR 6 1HB TYR 6 -2.293 -8.169 -12.554 53 HB3 TYR 6 2HB TYR 6 -1.920 -9.568 -13.542 54 H ASN 7 H ASN 7 -0.587 -10.062 -14.864 55 HA ASN 7 HA ASN 7 1.970 -11.386 -14.469 56 HB2 ASN 7 1HB ASN 7 -0.317 -12.650 -13.745 57 HB3 ASN 7 2HB ASN 7 -0.388 -12.998 -15.462 58 HD21 ASN 7 2HD2 ASN 7 2.052 -15.044 -12.983 59 HD22 ASN 7 1HD2 ASN 7 0.850 -13.900 -12.487 60 H GLY 8 H GLY 8 2.020 -9.444 -16.265 61 HA2 GLY 8 1HA GLY 8 2.719 -9.303 -18.465 62 HA3 GLY 8 2HA GLY 8 1.875 -10.789 -18.852 63 H ILE 9 H ILE 9 -0.696 -10.570 -18.343 64 HA ILE 9 HA ILE 9 -1.656 -8.767 -20.231 65 HB ILE 9 HB ILE 9 -3.889 -9.383 -19.225 66 HG12 ILE 9 1HG1 ILE 9 -3.108 -11.653 -17.742 67 HG13 ILE 9 2HG1 ILE 9 -2.164 -10.322 -17.102 68 HG21 ILE 9 1HG2 ILE 9 -3.066 -10.562 -21.132 69 HG22 ILE 9 2HG2 ILE 9 -1.949 -11.522 -20.132 70 HG23 ILE 9 3HG2 ILE 9 -3.706 -11.763 -19.984 71 HD11 ILE 9 3HD1 ILE 9 -4.548 -9.054 -17.278 72 HD12 ILE 9 1HD1 ILE 9 -5.136 -10.724 -17.098 73 HD13 ILE 9 2HD1 ILE 9 -4.084 -10.012 -15.852 74 H THR 10 H THR 10 -2.679 -6.750 -20.096 75 HA THR 10 HA THR 10 -2.167 -5.348 -17.566 76 HB THR 10 HB THR 10 -2.568 -4.364 -20.441 77 HG1 THR 10 HG1 THR 10 -0.351 -4.654 -18.539 78 HG21 THR 10 3HG2 THR 10 -3.222 -2.674 -18.649 79 HG22 THR 10 1HG2 THR 10 -1.594 -2.864 -17.956 80 HG23 THR 10 2HG2 THR 10 -1.791 -2.194 -19.593 81 H TYR 11 H TYR 11 -3.765 -3.635 -16.946 82 HA TYR 11 HA TYR 11 -6.468 -4.680 -17.450 83 HD1 TYR 11 HD1 TYR 11 -6.052 -4.447 -12.846 84 HD2 TYR 11 HD2 TYR 11 -5.618 -6.292 -16.681 85 HE1 TYR 11 HE1 TYR 11 -6.015 -6.739 -11.747 86 HE2 TYR 11 HE2 TYR 11 -5.583 -8.578 -15.569 87 HH TYR 11 HH TYR 11 -5.338 -9.630 -13.631 88 HB2 TYR 11 1HB TYR 11 -5.003 -3.286 -15.140 89 HB3 TYR 11 2HB TYR 11 -6.754 -3.329 -15.173 90 H GLU 12 H GLU 12 -8.241 -3.003 -17.291 91 HA GLU 12 HA GLU 12 -7.490 -0.304 -17.657 92 HE2 GLU 12 HE2 GLU 12 -6.898 2.844 -20.884 93 HB2 GLU 12 1HB GLU 12 -8.012 -2.016 -20.039 94 HB3 GLU 12 2HB GLU 12 -8.883 -0.496 -20.021 95 HG2 GLU 12 1HG GLU 12 -6.163 0.010 -19.168 96 HG3 GLU 12 2HG GLU 12 -6.108 -0.945 -20.637 97 H GLY 13 H GLY 13 -9.047 0.689 -16.456 98 HA2 GLY 13 1HA GLY 13 -11.585 1.100 -16.883 99 HA3 GLY 13 2HA GLY 13 -11.702 -0.552 -16.311 100 H GLY 14 H GLY 14 -10.363 -0.993 -14.171 101 HA2 GLY 14 1HA GLY 14 -11.477 0.220 -12.053 102 HA3 GLY 14 2HA GLY 14 -9.859 -0.453 -12.028 103 H GLY 15 H GLY 15 -11.678 2.349 -11.511 104 HA2 GLY 15 1HA GLY 15 -10.597 4.228 -10.540 105 HA3 GLY 15 2HA GLY 15 -9.238 4.002 -11.622 106 H GLY 16 H GLY 16 -12.750 4.840 -11.531 107 HA2 GLY 16 1HA GLY 16 -13.017 5.662 -14.190 108 HA3 GLY 16 2HA GLY 16 -14.000 6.177 -12.833 109 H GLY 17 H GLY 17 -12.902 7.864 -11.304 110 HA2 GLY 17 1HA GLY 17 -11.752 9.793 -10.984 111 HA3 GLY 17 2HA GLY 17 -10.857 9.513 -12.465 112 H GLY 18 H GLY 18 -13.586 11.129 -10.978 113 HA2 GLY 18 1HA GLY 18 -14.174 12.430 -13.566 114 HA3 GLY 18 2HA GLY 18 -15.451 11.891 -12.494 115 H GLY 19 H GLY 19 -15.074 12.662 -10.045 116 HA2 GLY 19 1HA GLY 19 -14.617 15.564 -10.217 117 HA3 GLY 19 2HA GLY 19 -15.598 14.724 -9.032 118 H GLY 20 H GLY 20 -14.578 15.432 -7.139 119 HA2 GLY 20 1HA GLY 20 -11.811 15.664 -6.785 120 HA3 GLY 20 2HA GLY 20 -13.019 15.526 -5.524 121 H SER 21 H SER 21 -10.442 14.347 -5.287 122 HA SER 21 HA SER 21 -10.880 11.554 -5.881 123 HG SER 21 HG SER 21 -9.265 12.309 -7.365 124 HB2 SER 21 1HB SER 21 -8.451 12.980 -4.709 125 HB3 SER 21 2HB SER 21 -8.507 11.285 -5.149 126 H ALA 22 H ALA 22 -12.669 12.664 -3.963 127 HA ALA 22 HA ALA 22 -11.756 12.407 -1.324 128 HB1 ALA 22 3HB ALA 22 -14.608 11.881 -2.152 129 HB2 ALA 22 1HB ALA 22 -13.985 12.789 -0.753 130 HB3 ALA 22 2HB ALA 22 -13.905 13.501 -2.383 131 H ALA 23 H ALA 23 -14.000 10.192 -3.142 132 HA ALA 23 HA ALA 23 -13.711 8.090 -1.343 133 HB1 ALA 23 3HB ALA 23 -15.231 7.103 -2.709 134 HB2 ALA 23 1HB ALA 23 -15.270 8.680 -3.535 135 HB3 ALA 23 2HB ALA 23 -14.240 7.371 -4.163 136 H GLU 24 H GLU 24 -11.594 9.332 -3.840 137 HA GLU 24 HA GLU 24 -10.159 6.838 -3.984 138 HE2 GLU 24 HE2 GLU 24 -8.968 5.875 -5.853 139 HB2 GLU 24 1HB GLU 24 -9.965 9.495 -5.430 140 HB3 GLU 24 2HB GLU 24 -8.656 8.334 -5.537 141 HG2 GLU 24 1HG GLU 24 -11.197 6.969 -5.946 142 HG3 GLU 24 2HG GLU 24 -11.097 8.349 -7.022 143 H ALA 25 H ALA 25 -10.304 8.140 -1.385 144 HA ALA 25 HA ALA 25 -7.449 8.735 -1.048 145 HB1 ALA 25 3HB ALA 25 -7.888 10.600 0.263 146 HB2 ALA 25 1HB ALA 25 -9.208 10.715 -0.926 147 HB3 ALA 25 2HB ALA 25 -9.524 10.046 0.693 148 H TYR 26 H TYR 26 -10.571 7.650 0.418 149 HA TYR 26 HA TYR 26 -9.033 6.232 2.464 150 HD1 TYR 26 HD1 TYR 26 -13.572 7.358 1.539 151 HD2 TYR 26 HD2 TYR 26 -11.441 4.161 3.421 152 HE1 TYR 26 HE1 TYR 26 -15.597 5.843 1.277 153 HE2 TYR 26 HE2 TYR 26 -13.473 2.657 3.152 154 HH TYR 26 HH TYR 26 -15.817 2.834 2.886 155 HB2 TYR 26 1HB TYR 26 -10.909 6.812 3.712 156 HB3 TYR 26 2HB TYR 26 -11.435 7.761 2.337 157 H ALA 27 H ALA 27 -11.448 5.757 -0.174 158 HA ALA 27 HA ALA 27 -11.581 2.937 0.292 159 HB1 ALA 27 3HB ALA 27 -13.385 4.512 -0.676 160 HB2 ALA 27 1HB ALA 27 -12.464 4.425 -2.197 161 HB3 ALA 27 2HB ALA 27 -13.148 2.944 -1.484 162 H LYS 28 H LYS 28 -9.190 4.965 -0.926 163 HA LYS 28 HA LYS 28 -8.372 3.177 -3.054 164 HB2 LYS 28 1HB LYS 28 -6.771 4.839 -3.614 165 HB3 LYS 28 2HB LYS 28 -8.267 5.677 -3.257 166 HG2 LYS 28 1HG LYS 28 -7.383 6.742 -1.435 167 HG3 LYS 28 2HG LYS 28 -6.584 5.294 -0.856 168 HD2 LYS 28 1HD LYS 28 -4.628 5.707 -2.067 169 HD3 LYS 28 2HD LYS 28 -5.465 6.572 -3.340 170 HE2 LYS 28 1HE LYS 28 -5.664 7.911 -0.701 171 HE3 LYS 28 2HE LYS 28 -4.014 7.750 -1.268 172 HZ1 LYS 28 2HZ LYS 28 -6.055 9.470 -2.261 173 HZ3 LYS 28 1HZ LYS 28 -5.451 8.570 -3.476 174 H ARG 29 H ARG 29 -7.773 3.833 0.357 175 HA ARG 29 HA ARG 29 -5.348 2.282 0.252 176 HE ARG 29 HE ARG 29 -4.324 6.938 0.641 177 HB2 ARG 29 1HB ARG 29 -6.679 3.460 2.734 178 HB3 ARG 29 2HB ARG 29 -5.000 2.993 2.552 179 HG2 ARG 29 1HG ARG 29 -6.399 5.301 1.122 180 HG3 ARG 29 2HG ARG 29 -5.206 5.442 2.398 181 HD2 ARG 29 1HD ARG 29 -3.641 4.067 0.786 182 HD3 ARG 29 2HD ARG 29 -4.793 4.498 -0.462 183 HH11 ARG 29 1HH1 ARG 29 -2.063 4.384 -0.318 184 HH12 ARG 29 2HH1 ARG 29 -0.775 5.487 -0.674 185 HH21 ARG 29 1HH2 ARG 29 -1.128 7.839 -0.379 186 H ILE 30 H ILE 30 -8.689 2.233 1.617 187 HA ILE 30 HA ILE 30 -8.682 0.147 3.273 188 HB ILE 30 HB ILE 30 -10.686 0.763 1.103 189 HG12 ILE 30 1HG1 ILE 30 -9.898 2.246 3.344 190 HG13 ILE 30 2HG1 ILE 30 -11.311 2.501 2.339 191 HG21 ILE 30 1HG2 ILE 30 -10.958 -1.540 1.926 192 HG22 ILE 30 2HG2 ILE 30 -11.059 -0.924 3.593 193 HG23 ILE 30 3HG2 ILE 30 -12.311 -0.487 2.406 194 HD11 ILE 30 3HD1 ILE 30 -11.192 0.672 4.783 195 HD12 ILE 30 1HD1 ILE 30 -11.952 2.281 4.720 196 HD13 ILE 30 2HD1 ILE 30 -12.627 0.940 3.764 197 H ALA 31 H ALA 31 -8.805 -0.123 -0.342 198 HA ALA 31 HA ALA 31 -8.920 -2.846 -0.535 199 HB1 ALA 31 3HB ALA 31 -7.184 -1.973 -2.580 200 HB2 ALA 31 1HB ALA 31 -8.957 -2.112 -2.661 201 HB3 ALA 31 2HB ALA 31 -8.206 -0.567 -2.196 202 H GLU 32 H GLU 32 -5.955 -0.758 -0.306 203 HA GLU 32 HA GLU 32 -4.093 -2.697 -0.459 204 HE2 GLU 32 HE2 GLU 32 -0.986 -1.002 -0.840 205 HB2 GLU 32 1HB GLU 32 -4.040 -0.281 1.404 206 HB3 GLU 32 2HB GLU 32 -2.633 -1.181 0.874 207 HG2 GLU 32 1HG GLU 32 -3.899 -0.594 -1.542 208 HG3 GLU 32 2HG GLU 32 -4.239 0.837 -0.589 209 H ALA 33 H ALA 33 -5.627 -1.471 2.607 210 HA ALA 33 HA ALA 33 -4.391 -3.202 4.344 211 HB1 ALA 33 3HB ALA 33 -6.504 -2.819 5.729 212 HB2 ALA 33 1HB ALA 33 -5.667 -1.353 5.165 213 HB3 ALA 33 2HB ALA 33 -7.141 -1.911 4.337 214 H MET 34 H MET 34 -7.563 -3.631 2.621 215 HA MET 34 HA MET 34 -7.987 -6.185 3.614 216 HB2 MET 34 1HB MET 34 -8.927 -4.768 1.061 217 HB3 MET 34 2HB MET 34 -9.576 -6.312 1.578 218 HG2 MET 34 1HG MET 34 -9.595 -3.834 3.363 219 HG3 MET 34 2HG MET 34 -10.921 -4.240 2.291 220 HE1 MET 34 3HE MET 34 -10.468 -5.524 6.437 221 HE2 MET 34 1HE MET 34 -9.478 -4.369 5.512 222 HE3 MET 34 2HE MET 34 -11.231 -4.104 5.681 223 H ALA 35 H ALA 35 -5.622 -5.061 1.420 224 HA ALA 35 HA ALA 35 -5.541 -7.499 -0.142 225 HB1 ALA 35 3HB ALA 35 -3.523 -5.237 -0.144 226 HB2 ALA 35 1HB ALA 35 -3.939 -6.360 -1.462 227 HB3 ALA 35 2HB ALA 35 -5.090 -5.093 -0.976 228 H LYS 36 H LYS 36 -5.301 -8.828 1.905 229 HA LYS 36 HA LYS 36 -2.456 -8.906 2.624 230 HB2 LYS 36 1HB LYS 36 -3.100 -9.564 4.898 231 HB3 LYS 36 2HB LYS 36 -3.677 -7.959 4.494 232 HG2 LYS 36 1HG LYS 36 -5.648 -8.801 5.358 233 HG3 LYS 36 2HG LYS 36 -5.857 -9.338 3.703 234 HD2 LYS 36 1HD LYS 36 -6.262 -11.322 4.889 235 HD3 LYS 36 2HD LYS 36 -4.566 -11.501 4.484 236 HE2 LYS 36 1HE LYS 36 -4.638 -12.026 6.797 237 HE3 LYS 36 2HE LYS 36 -4.068 -10.369 6.775 238 HZ1 LYS 36 2HZ LYS 36 -5.809 -9.973 8.133 239 HZ3 LYS 36 1HZ LYS 36 -6.543 -11.390 7.808 240 H GLY 37 H GLY 37 -5.584 -10.683 2.299 241 HA2 GLY 37 1HA GLY 37 -5.982 -12.745 1.469 242 HA3 GLY 37 2HA GLY 37 -4.304 -12.861 0.978 Start of MODEL 2 1 HA ARG 1 HA ARG 1 -1.703 -0.663 -7.771 2 HE ARG 1 HE ARG 1 -0.035 -5.954 -9.532 3 H1 ARG 1 1H ARG 1 -2.531 -2.787 -9.576 4 HB2 ARG 1 1HB ARG 1 0.098 -2.432 -7.107 5 HB3 ARG 1 2HB ARG 1 -1.547 -2.715 -6.574 6 HG2 ARG 1 1HG ARG 1 -1.885 -4.480 -8.059 7 HG3 ARG 1 2HG ARG 1 -0.792 -3.825 -9.263 8 HD2 ARG 1 1HD ARG 1 1.095 -4.325 -7.485 9 HD3 ARG 1 2HD ARG 1 -0.102 -5.361 -6.734 10 HH11 ARG 1 1HH1 ARG 1 1.992 -6.319 -6.648 11 HH12 ARG 1 2HH1 ARG 1 2.809 -7.723 -7.248 12 HH21 ARG 1 1HH2 ARG 1 2.235 -8.581 -9.411 13 H GLY 2 H GLY 2 -1.180 -2.242 -10.847 14 HA2 GLY 2 1HA GLY 2 1.205 -0.562 -11.289 15 HA3 GLY 2 2HA GLY 2 1.204 -2.257 -11.734 16 H LYS 3 H LYS 3 1.337 -2.033 -13.987 17 HA LYS 3 HA LYS 3 -1.038 -0.819 -15.209 18 HB2 LYS 3 1HB LYS 3 1.810 -0.588 -16.228 19 HB3 LYS 3 2HB LYS 3 0.377 0.006 -17.042 20 HG2 LYS 3 1HG LYS 3 0.610 0.908 -14.219 21 HG3 LYS 3 2HG LYS 3 1.914 1.466 -15.247 22 HD2 LYS 3 1HD LYS 3 -0.238 1.944 -16.892 23 HD3 LYS 3 2HD LYS 3 -0.993 2.157 -15.325 24 HE2 LYS 3 1HE LYS 3 1.677 3.471 -15.653 25 HE3 LYS 3 2HE LYS 3 0.385 4.136 -16.632 26 HZ1 LYS 3 2HZ LYS 3 -0.940 4.164 -14.455 27 HZ3 LYS 3 1HZ LYS 3 0.247 5.270 -14.589 28 H TRP 4 H TRP 4 -2.050 -2.059 -16.752 29 HA TRP 4 HA TRP 4 -1.172 -4.784 -16.935 30 HD1 TRP 4 HD1 TRP 4 -5.338 -5.338 -16.246 31 HE1 TRP 4 HE1 TRP 4 -5.443 -7.971 -16.102 32 HE3 TRP 4 HE3 TRP 4 -1.042 -6.174 -18.834 33 HZ2 TRP 4 HZ2 TRP 4 -3.755 -10.060 -17.065 34 HZ3 TRP 4 HZ3 TRP 4 -0.341 -8.540 -19.188 35 HH2 TRP 4 HH2 TRP 4 -1.620 -10.447 -18.352 36 HB2 TRP 4 1HB TRP 4 -3.609 -3.495 -17.004 37 HB3 TRP 4 2HB TRP 4 -3.363 -3.935 -18.682 38 H THR 5 H THR 5 0.794 -4.828 -18.092 39 HA THR 5 HA THR 5 0.612 -3.814 -20.854 40 HB THR 5 HB THR 5 3.010 -4.012 -18.956 41 HG1 THR 5 HG1 THR 5 1.644 -1.792 -20.299 42 HG21 THR 5 3HG2 THR 5 4.134 -2.645 -20.771 43 HG22 THR 5 1HG2 THR 5 3.776 -4.311 -21.285 44 HG23 THR 5 2HG2 THR 5 2.737 -2.970 -21.825 45 H TYR 6 H TYR 6 1.034 -5.181 -22.521 46 HA TYR 6 HA TYR 6 2.060 -7.832 -21.802 47 HD1 TYR 6 HD1 TYR 6 -0.455 -10.152 -21.773 48 HD2 TYR 6 HD2 TYR 6 0.773 -8.344 -25.451 49 HE1 TYR 6 HE1 TYR 6 -0.417 -12.435 -22.891 50 HE2 TYR 6 HE2 TYR 6 0.806 -10.633 -26.557 51 HH TYR 6 HH TYR 6 -0.713 -13.209 -25.409 52 HB2 TYR 6 1HB TYR 6 -0.472 -7.798 -21.976 53 HB3 TYR 6 2HB TYR 6 -0.352 -7.032 -23.548 54 H ASN 7 H ASN 7 0.858 -5.990 -24.703 55 HA ASN 7 HA ASN 7 3.150 -7.006 -26.128 56 HB2 ASN 7 1HB ASN 7 0.434 -6.115 -26.810 57 HB3 ASN 7 2HB ASN 7 1.612 -5.307 -27.825 58 HD21 ASN 7 2HD2 ASN 7 0.564 -9.143 -28.461 59 HD22 ASN 7 1HD2 ASN 7 -0.217 -8.052 -27.365 60 H GLY 8 H GLY 8 1.382 -3.871 -25.528 61 HA2 GLY 8 1HA GLY 8 3.764 -2.410 -25.028 62 HA3 GLY 8 2HA GLY 8 3.210 -2.130 -26.666 63 H ILE 9 H ILE 9 0.346 -2.432 -26.189 64 HA ILE 9 HA ILE 9 -0.094 0.153 -24.946 65 HB ILE 9 HB ILE 9 -2.350 -0.075 -25.926 66 HG12 ILE 9 1HG1 ILE 9 -1.926 -2.173 -27.787 67 HG13 ILE 9 2HG1 ILE 9 -1.550 -2.828 -26.206 68 HG21 ILE 9 1HG2 ILE 9 -1.694 0.520 -28.078 69 HG22 ILE 9 2HG2 ILE 9 -0.255 0.879 -27.094 70 HG23 ILE 9 3HG2 ILE 9 -0.312 -0.603 -28.078 71 HD11 ILE 9 3HD1 ILE 9 -3.731 -1.979 -25.331 72 HD12 ILE 9 1HD1 ILE 9 -4.115 -1.347 -26.950 73 HD13 ILE 9 2HD1 ILE 9 -3.952 -3.101 -26.695 74 H THR 10 H THR 10 -1.289 0.502 -23.080 75 HA THR 10 HA THR 10 -1.363 -1.603 -21.216 76 HB THR 10 HB THR 10 -2.883 1.051 -21.141 77 HG1 THR 10 HG1 THR 10 -0.095 0.238 -20.736 78 HG21 THR 10 3HG2 THR 10 -2.732 -0.931 -19.223 79 HG22 THR 10 1HG2 THR 10 -1.277 0.020 -18.842 80 HG23 THR 10 2HG2 THR 10 -2.876 0.801 -18.842 81 H TYR 11 H TYR 11 -3.011 -2.864 -20.372 82 HA TYR 11 HA TYR 11 -5.387 -2.972 -22.098 83 HD1 TYR 11 HD1 TYR 11 -3.671 -7.280 -21.722 84 HD2 TYR 11 HD2 TYR 11 -3.897 -3.343 -23.381 85 HE1 TYR 11 HE1 TYR 11 -2.569 -8.109 -23.858 86 HE2 TYR 11 HE2 TYR 11 -2.794 -4.186 -25.512 87 HH TYR 11 HH TYR 11 -2.601 -6.363 -26.696 88 HB2 TYR 11 1HB TYR 11 -3.836 -4.936 -20.308 89 HB3 TYR 11 2HB TYR 11 -5.409 -5.348 -20.960 90 H GLU 12 H GLU 12 -4.682 -1.298 -19.520 91 HA GLU 12 HA GLU 12 -5.864 -2.073 -17.313 92 HE2 GLU 12 HE2 GLU 12 -8.393 2.237 -20.174 93 HB2 GLU 12 1HB GLU 12 -6.454 0.260 -16.869 94 HB3 GLU 12 2HB GLU 12 -4.927 0.198 -17.727 95 HG2 GLU 12 1HG GLU 12 -5.904 1.742 -19.110 96 HG3 GLU 12 2HG GLU 12 -6.651 0.342 -19.855 97 H GLY 13 H GLY 13 -8.037 -1.943 -16.342 98 HA2 GLY 13 1HA GLY 13 -10.308 -2.024 -16.362 99 HA3 GLY 13 2HA GLY 13 -10.320 -1.582 -18.058 100 H GLY 14 H GLY 14 -11.359 -3.129 -19.236 101 HA2 GLY 14 1HA GLY 14 -11.452 -5.183 -20.274 102 HA3 GLY 14 2HA GLY 14 -10.413 -5.877 -19.045 103 H GLY 15 H GLY 15 -13.744 -4.970 -19.901 104 HA2 GLY 15 1HA GLY 15 -15.599 -6.210 -19.262 105 HA3 GLY 15 2HA GLY 15 -14.725 -6.848 -17.884 106 H GLY 16 H GLY 16 -16.562 -6.282 -16.509 107 HA2 GLY 16 1HA GLY 16 -17.264 -3.483 -16.246 108 HA3 GLY 16 2HA GLY 16 -17.931 -4.846 -15.369 109 H GLY 17 H GLY 17 -16.558 -2.077 -14.670 110 HA2 GLY 17 1HA GLY 17 -15.411 -2.979 -12.216 111 HA3 GLY 17 2HA GLY 17 -14.179 -2.440 -13.340 112 H GLY 18 H GLY 18 -14.370 -0.997 -11.046 113 HA2 GLY 18 1HA GLY 18 -16.087 1.322 -11.614 114 HA3 GLY 18 2HA GLY 18 -15.325 0.926 -10.087 115 H GLY 19 H GLY 19 -13.169 1.555 -9.659 116 HA2 GLY 19 1HA GLY 19 -11.042 2.292 -10.341 117 HA3 GLY 19 2HA GLY 19 -11.721 2.899 -11.838 118 H GLY 20 H GLY 20 -10.107 4.627 -10.484 119 HA2 GLY 20 1HA GLY 20 -10.112 6.795 -9.848 120 HA3 GLY 20 2HA GLY 20 -11.863 6.807 -9.923 121 H SER 21 H SER 21 -9.020 6.273 -7.876 122 HA SER 21 HA SER 21 -10.832 6.280 -5.595 123 HG SER 21 HG SER 21 -10.029 2.976 -5.562 124 HB2 SER 21 1HB SER 21 -8.172 4.807 -5.613 125 HB3 SER 21 2HB SER 21 -9.446 4.700 -4.415 126 H ALA 22 H ALA 22 -10.520 8.616 -5.500 127 HA ALA 22 HA ALA 22 -7.817 9.586 -5.186 128 HB1 ALA 22 3HB ALA 22 -8.726 11.630 -5.648 129 HB2 ALA 22 1HB ALA 22 -10.068 10.646 -6.280 130 HB3 ALA 22 2HB ALA 22 -10.165 11.336 -4.642 131 H ALA 23 H ALA 23 -10.859 9.937 -3.218 132 HA ALA 23 HA ALA 23 -9.161 10.062 -0.846 133 HB1 ALA 23 3HB ALA 23 -12.115 10.680 -1.256 134 HB2 ALA 23 1HB ALA 23 -11.180 10.970 0.231 135 HB3 ALA 23 2HB ALA 23 -10.797 11.876 -1.253 136 H GLU 24 H GLU 24 -10.043 7.599 -2.590 137 HA GLU 24 HA GLU 24 -11.457 6.168 -0.501 138 HE2 GLU 24 HE2 GLU 24 -14.864 4.273 -1.613 139 HB2 GLU 24 1HB GLU 24 -10.949 5.618 -3.443 140 HB3 GLU 24 2HB GLU 24 -11.515 4.350 -2.375 141 HG2 GLU 24 1HG GLU 24 -13.261 6.357 -1.696 142 HG3 GLU 24 2HG GLU 24 -12.950 6.780 -3.367 143 H ALA 25 H ALA 25 -8.415 6.204 -2.415 144 HA ALA 25 HA ALA 25 -7.365 3.794 -1.528 145 HB1 ALA 25 3HB ALA 25 -6.157 6.411 -2.468 146 HB2 ALA 25 1HB ALA 25 -5.148 5.007 -2.046 147 HB3 ALA 25 2HB ALA 25 -6.336 4.885 -3.366 148 H TYR 26 H TYR 26 -7.937 6.820 0.135 149 HA TYR 26 HA TYR 26 -6.067 6.093 2.258 150 HD1 TYR 26 HD1 TYR 26 -7.335 7.837 4.688 151 HD2 TYR 26 HD2 TYR 26 -8.961 9.761 1.230 152 HE1 TYR 26 HE1 TYR 26 -9.141 8.906 6.123 153 HE2 TYR 26 HE2 TYR 26 -10.761 10.824 2.677 154 HH TYR 26 HH TYR 26 -10.689 11.383 5.518 155 HB2 TYR 26 1HB TYR 26 -5.983 8.412 2.376 156 HB3 TYR 26 2HB TYR 26 -7.056 8.471 0.991 157 H ALA 27 H ALA 27 -9.572 6.736 1.644 158 HA ALA 27 HA ALA 27 -10.358 6.313 4.312 159 HB1 ALA 27 3HB ALA 27 -11.787 7.544 2.840 160 HB2 ALA 27 1HB ALA 27 -11.796 6.231 1.638 161 HB3 ALA 27 2HB ALA 27 -12.634 6.019 3.193 162 H LYS 28 H LYS 28 -9.087 4.195 1.947 163 HA LYS 28 HA LYS 28 -10.624 1.901 2.753 164 HB2 LYS 28 1HB LYS 28 -10.040 1.667 0.558 165 HB3 LYS 28 2HB LYS 28 -8.521 2.522 0.739 166 HG2 LYS 28 1HG LYS 28 -8.090 0.131 0.336 167 HG3 LYS 28 2HG LYS 28 -7.547 0.569 1.944 168 HD2 LYS 28 1HD LYS 28 -9.921 -0.206 2.741 169 HD3 LYS 28 2HD LYS 28 -10.051 -0.972 1.170 170 HE2 LYS 28 1HE LYS 28 -7.573 -1.870 1.892 171 HE3 LYS 28 2HE LYS 28 -8.276 -1.672 3.485 172 HZ1 LYS 28 2HZ LYS 28 -9.245 -3.654 3.093 173 HZ3 LYS 28 1HZ LYS 28 -8.894 -3.643 1.503 174 H ARG 29 H ARG 29 -7.067 2.666 2.842 175 HA ARG 29 HA ARG 29 -6.399 0.684 4.548 176 HE ARG 29 HE ARG 29 -2.706 2.914 0.648 177 HB2 ARG 29 1HB ARG 29 -5.131 3.456 4.679 178 HB3 ARG 29 2HB ARG 29 -4.345 1.912 4.945 179 HG2 ARG 29 1HG ARG 29 -5.116 1.402 2.452 180 HG3 ARG 29 2HG ARG 29 -5.256 3.145 2.332 181 HD2 ARG 29 1HD ARG 29 -2.771 2.837 3.569 182 HD3 ARG 29 2HD ARG 29 -2.820 1.460 2.487 183 HH11 ARG 29 1HH1 ARG 29 -3.520 4.777 3.550 184 HH12 ARG 29 2HH1 ARG 29 -3.335 6.311 2.767 185 HH21 ARG 29 1HH2 ARG 29 -2.713 6.382 0.454 186 H ILE 30 H ILE 30 -7.608 4.003 5.284 187 HA ILE 30 HA ILE 30 -7.170 4.292 7.894 188 HB ILE 30 HB ILE 30 -9.669 4.830 6.303 189 HG12 ILE 30 1HG1 ILE 30 -7.179 5.973 6.167 190 HG13 ILE 30 2HG1 ILE 30 -8.676 6.724 5.651 191 HG21 ILE 30 1HG2 ILE 30 -9.042 5.630 9.155 192 HG22 ILE 30 2HG2 ILE 30 -10.289 6.405 8.148 193 HG23 ILE 30 3HG2 ILE 30 -10.427 4.680 8.564 194 HD11 ILE 30 3HD1 ILE 30 -7.575 6.944 8.488 195 HD12 ILE 30 1HD1 ILE 30 -7.297 8.155 7.214 196 HD13 ILE 30 2HD1 ILE 30 -8.948 7.844 7.801 197 H ALA 31 H ALA 31 -10.057 2.484 6.613 198 HA ALA 31 HA ALA 31 -11.106 1.571 8.900 199 HB1 ALA 31 3HB ALA 31 -10.652 -0.234 6.502 200 HB2 ALA 31 1HB ALA 31 -12.044 -0.202 7.610 201 HB3 ALA 31 2HB ALA 31 -11.785 1.138 6.467 202 H GLU 32 H GLU 32 -8.247 0.162 7.180 203 HA GLU 32 HA GLU 32 -7.911 -1.908 9.010 204 HE2 GLU 32 HE2 GLU 32 -8.043 -4.384 5.826 205 HB2 GLU 32 1HB GLU 32 -5.900 -0.566 7.150 206 HB3 GLU 32 2HB GLU 32 -5.614 -2.078 7.989 207 HG2 GLU 32 1HG GLU 32 -8.139 -2.407 6.731 208 HG3 GLU 32 2HG GLU 32 -7.144 -1.588 5.542 209 H ALA 33 H ALA 33 -6.272 1.316 8.671 210 HA ALA 33 HA ALA 33 -4.446 1.225 10.620 211 HB1 ALA 33 3HB ALA 33 -4.367 3.367 9.953 212 HB2 ALA 33 1HB ALA 33 -5.998 3.237 9.252 213 HB3 ALA 33 2HB ALA 33 -5.796 3.708 10.957 214 H MET 34 H MET 34 -7.946 2.060 11.158 215 HA MET 34 HA MET 34 -7.536 1.867 13.978 216 HB2 MET 34 1HB MET 34 -10.172 2.095 12.432 217 HB3 MET 34 2HB MET 34 -9.888 2.577 14.093 218 HG2 MET 34 1HG MET 34 -8.629 3.861 11.621 219 HG3 MET 34 2HG MET 34 -9.903 4.558 12.602 220 HE1 MET 34 3HE MET 34 -8.339 6.481 12.374 221 HE2 MET 34 1HE MET 34 -7.108 6.876 13.597 222 HE3 MET 34 2HE MET 34 -6.655 5.953 12.144 223 H ALA 35 H ALA 35 -8.407 -0.259 11.360 224 HA ALA 35 HA ALA 35 -9.388 -2.271 11.280 225 HB1 ALA 35 3HB ALA 35 -8.312 -3.820 13.100 226 HB2 ALA 35 1HB ALA 35 -7.262 -3.032 11.898 227 HB3 ALA 35 2HB ALA 35 -7.390 -2.364 13.543 228 H LYS 36 H LYS 36 -11.099 -0.349 12.521 229 HA LYS 36 HA LYS 36 -12.115 -0.843 14.950 230 HB2 LYS 36 1HB LYS 36 -14.130 0.130 14.204 231 HB3 LYS 36 2HB LYS 36 -12.868 0.843 13.221 232 HG2 LYS 36 1HG LYS 36 -13.797 -1.597 11.943 233 HG3 LYS 36 2HG LYS 36 -15.181 -0.596 12.334 234 HD2 LYS 36 1HD LYS 36 -12.706 0.442 10.877 235 HD3 LYS 36 2HD LYS 36 -14.143 -0.133 10.055 236 HE2 LYS 36 1HE LYS 36 -15.518 1.606 11.152 237 HE3 LYS 36 2HE LYS 36 -14.145 2.134 12.105 238 HZ1 LYS 36 2HZ LYS 36 -13.527 3.427 10.395 239 HZ3 LYS 36 1HZ LYS 36 -14.814 2.952 9.518 240 H GLY 37 H GLY 37 -13.610 -2.274 15.932 241 HA2 GLY 37 1HA GLY 37 -13.596 -4.934 14.740 242 HA3 GLY 37 2HA GLY 37 -14.036 -4.497 16.378 Start of MODEL 3 1 HA ARG 1 HA ARG 1 -11.812 -1.685 -15.355 2 HE ARG 1 HE ARG 1 -16.327 -1.839 -13.994 3 H1 ARG 1 1H ARG 1 -11.758 -0.858 -17.880 4 HB2 ARG 1 1HB ARG 1 -13.591 -1.704 -17.556 5 HB3 ARG 1 2HB ARG 1 -13.601 -3.362 -16.990 6 HG2 ARG 1 1HG ARG 1 -13.728 -1.344 -14.809 7 HG3 ARG 1 2HG ARG 1 -15.101 -1.301 -15.897 8 HD2 ARG 1 1HD ARG 1 -15.272 -3.859 -15.585 9 HD3 ARG 1 2HD ARG 1 -14.096 -3.697 -14.296 10 HH11 ARG 1 1HH1 ARG 1 -15.276 -5.167 -13.381 11 HH12 ARG 1 2HH1 ARG 1 -16.389 -5.409 -12.075 12 HH21 ARG 1 1HH2 ARG 1 -17.860 -3.627 -11.441 13 H GLY 2 H GLY 2 -11.471 -3.854 -18.260 14 HA2 GLY 2 1HA GLY 2 -11.034 -6.199 -16.673 15 HA3 GLY 2 2HA GLY 2 -10.876 -6.034 -18.410 16 H LYS 3 H LYS 3 -8.867 -7.029 -18.709 17 HA LYS 3 HA LYS 3 -6.672 -6.451 -17.001 18 HB2 LYS 3 1HB LYS 3 -7.344 -8.403 -18.902 19 HB3 LYS 3 2HB LYS 3 -5.958 -7.575 -19.585 20 HG2 LYS 3 1HG LYS 3 -4.681 -8.864 -18.213 21 HG3 LYS 3 2HG LYS 3 -5.227 -7.833 -16.906 22 HD2 LYS 3 1HD LYS 3 -6.020 -9.774 -15.991 23 HD3 LYS 3 2HD LYS 3 -7.366 -9.550 -17.090 24 HE2 LYS 3 1HE LYS 3 -5.713 -10.814 -18.806 25 HE3 LYS 3 2HE LYS 3 -5.017 -11.429 -17.320 26 HZ1 LYS 3 2HZ LYS 3 -6.758 -12.910 -17.962 27 HZ3 LYS 3 1HZ LYS 3 -7.839 -11.713 -18.188 28 H TRP 4 H TRP 4 -5.885 -4.401 -16.907 29 HA TRP 4 HA TRP 4 -6.126 -2.439 -18.754 30 HD1 TRP 4 HD1 TRP 4 -5.079 -0.515 -15.060 31 HE1 TRP 4 HE1 TRP 4 -5.770 1.964 -15.644 32 HE3 TRP 4 HE3 TRP 4 -4.937 -1.108 -20.108 33 HZ2 TRP 4 HZ2 TRP 4 -6.170 3.367 -18.096 34 HZ3 TRP 4 HZ3 TRP 4 -5.491 0.866 -21.525 35 HH2 TRP 4 HH2 TRP 4 -6.092 3.046 -20.596 36 HB2 TRP 4 1HB TRP 4 -4.786 -2.808 -16.345 37 HB3 TRP 4 2HB TRP 4 -3.516 -2.370 -17.470 38 H THR 5 H THR 5 -5.870 -2.964 -20.937 39 HA THR 5 HA THR 5 -3.137 -3.734 -21.708 40 HB THR 5 HB THR 5 -5.735 -4.728 -22.988 41 HG1 THR 5 HG1 THR 5 -5.620 -6.129 -21.282 42 HG21 THR 5 3HG2 THR 5 -4.289 -5.471 -24.601 43 HG22 THR 5 1HG2 THR 5 -2.878 -4.926 -23.663 44 HG23 THR 5 2HG2 THR 5 -3.586 -6.530 -23.356 45 H TYR 6 H TYR 6 -2.209 -2.080 -22.725 46 HA TYR 6 HA TYR 6 -3.969 -0.377 -24.353 47 HD1 TYR 6 HD1 TYR 6 -0.348 1.107 -25.131 48 HD2 TYR 6 HD2 TYR 6 -3.777 2.628 -23.074 49 HE1 TYR 6 HE1 TYR 6 -0.126 3.311 -26.379 50 HE2 TYR 6 HE2 TYR 6 -3.544 4.828 -24.329 51 HH TYR 6 HH TYR 6 -2.360 5.360 -26.823 52 HB2 TYR 6 1HB TYR 6 -2.730 0.598 -22.337 53 HB3 TYR 6 2HB TYR 6 -1.217 0.049 -23.029 54 H ASN 7 H ASN 7 -3.866 -1.055 -26.454 55 HA ASN 7 HA ASN 7 -3.064 -1.736 -28.356 56 HB2 ASN 7 1HB ASN 7 -1.783 0.592 -27.802 57 HB3 ASN 7 2HB ASN 7 -0.375 -0.449 -27.863 58 HD21 ASN 7 2HD2 ASN 7 -0.324 -0.912 -31.313 59 HD22 ASN 7 1HD2 ASN 7 0.318 -1.313 -29.755 60 H GLY 8 H GLY 8 -2.847 -3.822 -26.670 61 HA2 GLY 8 1HA GLY 8 -1.752 -5.858 -26.832 62 HA3 GLY 8 2HA GLY 8 -0.296 -5.056 -27.387 63 H ILE 9 H ILE 9 0.730 -3.461 -25.689 64 HA ILE 9 HA ILE 9 1.704 -4.824 -23.600 65 HB ILE 9 HB ILE 9 1.818 -2.225 -24.557 66 HG12 ILE 9 1HG1 ILE 9 3.598 -3.878 -23.685 67 HG13 ILE 9 2HG1 ILE 9 3.880 -2.158 -23.497 68 HG21 ILE 9 1HG2 ILE 9 1.230 -2.079 -21.593 69 HG22 ILE 9 2HG2 ILE 9 1.570 -0.739 -22.715 70 HG23 ILE 9 3HG2 ILE 9 0.052 -1.657 -22.859 71 HD11 ILE 9 3HD1 ILE 9 3.546 -2.201 -21.190 72 HD12 ILE 9 1HD1 ILE 9 2.443 -3.596 -21.272 73 HD13 ILE 9 2HD1 ILE 9 4.198 -3.838 -21.444 74 H THR 10 H THR 10 1.242 -5.132 -21.376 75 HA THR 10 HA THR 10 -1.548 -4.523 -20.650 76 HB THR 10 HB THR 10 -0.133 -6.938 -19.536 77 HG1 THR 10 HG1 THR 10 0.288 -6.780 -21.921 78 HG21 THR 10 3HG2 THR 10 -2.569 -7.740 -20.526 79 HG22 THR 10 1HG2 THR 10 -2.352 -7.098 -18.880 80 HG23 THR 10 2HG2 THR 10 -2.912 -6.027 -20.187 81 H TYR 11 H TYR 11 -1.660 -3.043 -19.093 82 HA TYR 11 HA TYR 11 0.655 -2.710 -17.361 83 HD1 TYR 11 HD1 TYR 11 -1.050 1.476 -18.043 84 HD2 TYR 11 HD2 TYR 11 1.015 -2.040 -19.337 85 HE1 TYR 11 HE1 TYR 11 0.352 2.877 -19.635 86 HE2 TYR 11 HE2 TYR 11 2.410 -0.628 -20.925 87 HH TYR 11 HH TYR 11 2.976 2.296 -20.708 88 HB2 TYR 11 1HB TYR 11 -1.964 -1.244 -18.011 89 HB3 TYR 11 2HB TYR 11 -0.967 -0.719 -16.669 90 H GLU 12 H GLU 12 0.452 -4.604 -16.020 91 HA GLU 12 HA GLU 12 -1.946 -5.228 -14.745 92 HE2 GLU 12 HE2 GLU 12 -1.141 -8.737 -12.635 93 HB2 GLU 12 1HB GLU 12 0.901 -6.075 -14.591 94 HB3 GLU 12 2HB GLU 12 -0.001 -6.301 -13.106 95 HG2 GLU 12 1HG GLU 12 -1.009 -7.259 -15.823 96 HG3 GLU 12 2HG GLU 12 -0.063 -8.268 -14.747 97 H GLY 13 H GLY 13 -2.584 -4.927 -12.502 98 HA2 GLY 13 1HA GLY 13 -1.147 -3.466 -10.613 99 HA3 GLY 13 2HA GLY 13 -2.113 -2.322 -11.524 100 H GLY 14 H GLY 14 -2.396 -3.116 -8.678 101 HA2 GLY 14 1HA GLY 14 -5.149 -4.191 -8.811 102 HA3 GLY 14 2HA GLY 14 -4.004 -4.677 -7.577 103 H GLY 15 H GLY 15 -2.914 -2.724 -6.347 104 HA2 GLY 15 1HA GLY 15 -5.110 -0.981 -5.495 105 HA3 GLY 15 2HA GLY 15 -3.636 -1.339 -4.618 106 H GLY 16 H GLY 16 -5.193 0.753 -6.961 107 HA2 GLY 16 1HA GLY 16 -3.117 1.966 -8.276 108 HA3 GLY 16 2HA GLY 16 -4.595 2.764 -7.776 109 H GLY 17 H GLY 17 -1.891 3.927 -7.893 110 HA2 GLY 17 1HA GLY 17 -1.599 4.622 -5.034 111 HA3 GLY 17 2HA GLY 17 -0.212 4.302 -6.057 112 H GLY 18 H GLY 18 -0.414 5.586 -8.342 113 HA2 GLY 18 1HA GLY 18 -0.468 8.377 -7.584 114 HA3 GLY 18 2HA GLY 18 0.051 7.686 -9.109 115 H GLY 19 H GLY 19 -1.268 9.697 -9.838 116 HA2 GLY 19 1HA GLY 19 -3.032 10.357 -11.084 117 HA3 GLY 19 2HA GLY 19 -3.754 8.772 -10.890 118 H GLY 20 H GLY 20 -5.865 9.353 -10.344 119 HA2 GLY 20 1HA GLY 20 -6.381 11.401 -8.385 120 HA3 GLY 20 2HA GLY 20 -7.545 10.381 -9.207 121 H SER 21 H SER 21 -7.970 8.196 -8.402 122 HA SER 21 HA SER 21 -8.398 6.774 -6.820 123 HG SER 21 HG SER 21 -5.943 6.988 -8.043 124 HB2 SER 21 1HB SER 21 -5.893 7.311 -5.264 125 HB3 SER 21 2HB SER 21 -6.589 5.781 -5.760 126 H ALA 22 H ALA 22 -9.734 9.075 -6.377 127 HA ALA 22 HA ALA 22 -9.142 10.151 -3.778 128 HB1 ALA 22 3HB ALA 22 -10.088 11.426 -5.771 129 HB2 ALA 22 1HB ALA 22 -11.617 10.557 -5.494 130 HB3 ALA 22 2HB ALA 22 -10.966 11.637 -4.237 131 H ALA 23 H ALA 23 -11.233 7.675 -5.246 132 HA ALA 23 HA ALA 23 -12.598 7.326 -2.684 133 HB1 ALA 23 3HB ALA 23 -13.755 7.505 -5.019 134 HB2 ALA 23 1HB ALA 23 -13.193 5.830 -5.243 135 HB3 ALA 23 2HB ALA 23 -14.285 6.230 -3.895 136 H GLU 24 H GLU 24 -10.012 6.102 -4.667 137 HA GLU 24 HA GLU 24 -10.146 3.502 -3.437 138 HE2 GLU 24 HE2 GLU 24 -9.777 0.768 -5.997 139 HB2 GLU 24 1HB GLU 24 -8.367 4.747 -5.561 140 HB3 GLU 24 2HB GLU 24 -7.988 3.187 -4.860 141 HG2 GLU 24 1HG GLU 24 -10.559 2.674 -5.439 142 HG3 GLU 24 2HG GLU 24 -10.330 3.968 -6.598 143 H ALA 25 H ALA 25 -8.825 6.612 -2.805 144 HA ALA 25 HA ALA 25 -6.583 5.534 -1.286 145 HB1 ALA 25 3HB ALA 25 -6.011 7.952 -1.023 146 HB2 ALA 25 1HB ALA 25 -6.149 7.456 -2.727 147 HB3 ALA 25 2HB ALA 25 -7.468 8.369 -1.957 148 H TYR 26 H TYR 26 -9.679 5.354 -0.725 149 HA TYR 26 HA TYR 26 -9.444 6.328 2.041 150 HD1 TYR 26 HD1 TYR 26 -13.022 6.150 -1.125 151 HD2 TYR 26 HD2 TYR 26 -12.429 5.444 3.053 152 HE1 TYR 26 HE1 TYR 26 -15.172 4.796 -1.041 153 HE2 TYR 26 HE2 TYR 26 -14.581 4.092 3.122 154 HH TYR 26 HH TYR 26 -16.079 3.032 1.852 155 HB2 TYR 26 1HB TYR 26 -11.391 7.523 1.609 156 HB3 TYR 26 2HB TYR 26 -11.194 7.114 -0.083 157 H ALA 27 H ALA 27 -10.935 3.971 -0.258 158 HA ALA 27 HA ALA 27 -11.922 2.333 1.862 159 HB1 ALA 27 3HB ALA 27 -12.192 2.583 -0.988 160 HB2 ALA 27 1HB ALA 27 -11.725 0.908 -0.610 161 HB3 ALA 27 2HB ALA 27 -13.174 1.619 0.141 162 H LYS 28 H LYS 28 -8.821 3.005 0.722 163 HA LYS 28 HA LYS 28 -7.830 0.301 0.918 164 HB2 LYS 28 1HB LYS 28 -5.648 1.359 0.427 165 HB3 LYS 28 2HB LYS 28 -6.873 1.722 -0.772 166 HG2 LYS 28 1HG LYS 28 -7.066 3.961 -0.116 167 HG3 LYS 28 2HG LYS 28 -6.591 3.634 1.539 168 HD2 LYS 28 1HD LYS 28 -4.755 4.819 0.504 169 HD3 LYS 28 2HD LYS 28 -4.237 3.157 0.707 170 HE2 LYS 28 1HE LYS 28 -5.614 3.709 -1.879 171 HE3 LYS 28 2HE LYS 28 -4.098 4.563 -1.669 172 HZ1 LYS 28 2HZ LYS 28 -3.507 2.486 -2.572 173 HZ3 LYS 28 1HZ LYS 28 -4.526 1.638 -1.625 174 H ARG 29 H ARG 29 -8.000 3.307 2.853 175 HA ARG 29 HA ARG 29 -6.317 2.174 4.856 176 HE ARG 29 HE ARG 29 -3.970 6.670 3.185 177 HB2 ARG 29 1HB ARG 29 -8.057 4.662 5.146 178 HB3 ARG 29 2HB ARG 29 -6.569 4.295 5.996 179 HG2 ARG 29 1HG ARG 29 -5.553 4.222 3.515 180 HG3 ARG 29 2HG ARG 29 -6.948 5.215 3.144 181 HD2 ARG 29 1HD ARG 29 -6.266 6.771 5.044 182 HD3 ARG 29 2HD ARG 29 -4.807 5.821 5.240 183 HH11 ARG 29 1HH1 ARG 29 -7.304 7.744 3.715 184 HH12 ARG 29 2HH1 ARG 29 -7.250 8.938 2.461 185 HH21 ARG 29 1HH2 ARG 29 -5.238 9.215 1.190 186 H ILE 30 H ILE 30 -9.812 2.941 4.353 187 HA ILE 30 HA ILE 30 -10.906 2.566 6.751 188 HB ILE 30 HB ILE 30 -11.834 1.449 4.106 189 HG12 ILE 30 1HG1 ILE 30 -11.477 4.086 4.942 190 HG13 ILE 30 2HG1 ILE 30 -12.396 3.529 3.557 191 HG21 ILE 30 1HG2 ILE 30 -14.075 1.369 5.064 192 HG22 ILE 30 2HG2 ILE 30 -12.964 0.301 5.955 193 HG23 ILE 30 3HG2 ILE 30 -13.433 1.873 6.646 194 HD11 ILE 30 3HD1 ILE 30 -14.436 3.331 4.960 195 HD12 ILE 30 1HD1 ILE 30 -13.508 3.864 6.382 196 HD13 ILE 30 2HD1 ILE 30 -13.774 4.982 5.023 197 H ALA 31 H ALA 31 -9.910 -0.128 4.533 198 HA ALA 31 HA ALA 31 -10.670 -2.268 5.972 199 HB1 ALA 31 3HB ALA 31 -7.890 -2.454 4.983 200 HB2 ALA 31 1HB ALA 31 -9.335 -3.384 4.517 201 HB3 ALA 31 2HB ALA 31 -9.041 -1.779 3.805 202 H GLU 32 H GLU 32 -7.626 -0.355 6.473 203 HA GLU 32 HA GLU 32 -6.570 -1.820 8.479 204 HE2 GLU 32 HE2 GLU 32 -2.519 1.867 7.346 205 HB2 GLU 32 1HB GLU 32 -6.580 1.226 8.294 206 HB3 GLU 32 2HB GLU 32 -5.418 0.260 9.181 207 HG2 GLU 32 1HG GLU 32 -5.304 -0.909 6.665 208 HG3 GLU 32 2HG GLU 32 -5.615 0.767 6.258 209 H ALA 33 H ALA 33 -8.835 1.004 8.851 210 HA ALA 33 HA ALA 33 -9.064 0.896 11.595 211 HB1 ALA 33 3HB ALA 33 -11.236 2.078 11.186 212 HB2 ALA 33 1HB ALA 33 -9.879 2.757 10.255 213 HB3 ALA 33 2HB ALA 33 -11.070 1.706 9.453 214 H MET 34 H MET 34 -11.015 -0.784 9.042 215 HA MET 34 HA MET 34 -12.709 -2.033 10.855 216 HB2 MET 34 1HB MET 34 -11.798 -2.772 8.020 217 HB3 MET 34 2HB MET 34 -13.108 -3.597 8.841 218 HG2 MET 34 1HG MET 34 -14.388 -1.490 9.016 219 HG3 MET 34 2HG MET 34 -13.051 -0.582 8.338 220 HE1 MET 34 3HE MET 34 -15.631 -0.154 6.023 221 HE2 MET 34 1HE MET 34 -16.502 -1.659 6.404 222 HE3 MET 34 2HE MET 34 -15.876 -0.635 7.719 223 H ALA 35 H ALA 35 -9.372 -2.494 10.291 224 HA ALA 35 HA ALA 35 -9.484 -5.318 11.042 225 HB1 ALA 35 3HB ALA 35 -7.084 -3.638 10.228 226 HB2 ALA 35 1HB ALA 35 -7.199 -5.413 10.294 227 HB3 ALA 35 2HB ALA 35 -8.115 -4.507 9.066 228 H LYS 36 H LYS 36 -8.237 -6.094 12.873 229 HA LYS 36 HA LYS 36 -8.633 -4.822 15.199 230 HB2 LYS 36 1HB LYS 36 -7.657 -7.182 14.608 231 HB3 LYS 36 2HB LYS 36 -6.102 -6.402 14.817 232 HG2 LYS 36 1HG LYS 36 -8.334 -6.295 16.900 233 HG3 LYS 36 2HG LYS 36 -7.049 -7.486 16.921 234 HD2 LYS 36 1HD LYS 36 -5.380 -5.530 16.916 235 HD3 LYS 36 2HD LYS 36 -6.745 -4.459 17.162 236 HE2 LYS 36 1HE LYS 36 -7.256 -5.408 19.306 237 HE3 LYS 36 2HE LYS 36 -6.287 -6.836 19.004 238 HZ1 LYS 36 2HZ LYS 36 -4.332 -5.666 19.386 239 HZ3 LYS 36 1HZ LYS 36 -5.317 -4.906 20.437 240 H GLY 37 H GLY 37 -5.413 -4.768 13.503 241 HA2 GLY 37 1HA GLY 37 -5.087 -1.985 13.702 242 HA3 GLY 37 2HA GLY 37 -4.336 -2.730 15.099 Start of MODEL 4 1 HA ARG 1 HA ARG 1 -6.012 4.417 -27.982 2 HE ARG 1 HE ARG 1 -5.727 6.539 -32.577 3 H1 ARG 1 1H ARG 1 -6.926 7.081 -27.635 4 HB2 ARG 1 1HB ARG 1 -5.960 6.708 -29.535 5 HB3 ARG 1 2HB ARG 1 -4.306 6.667 -28.959 6 HG2 ARG 1 1HG ARG 1 -3.892 5.175 -30.623 7 HG3 ARG 1 2HG ARG 1 -4.766 4.001 -29.659 8 HD2 ARG 1 1HD ARG 1 -6.160 3.838 -31.466 9 HD3 ARG 1 2HD ARG 1 -6.861 5.333 -30.879 10 HH11 ARG 1 1HH1 ARG 1 -4.675 3.156 -32.550 11 HH12 ARG 1 2HH1 ARG 1 -3.869 3.265 -34.079 12 HH21 ARG 1 1HH2 ARG 1 -3.875 5.348 -35.263 13 H GLY 2 H GLY 2 -4.858 3.507 -26.287 14 HA2 GLY 2 1HA GLY 2 -2.298 4.453 -25.617 15 HA3 GLY 2 2HA GLY 2 -3.419 4.952 -24.366 16 H LYS 3 H LYS 3 -2.253 2.085 -26.226 17 HA LYS 3 HA LYS 3 -2.992 0.451 -23.897 18 HB2 LYS 3 1HB LYS 3 -2.983 -0.269 -26.841 19 HB3 LYS 3 2HB LYS 3 -3.125 -1.446 -25.551 20 HG2 LYS 3 1HG LYS 3 -5.352 -1.043 -25.467 21 HG3 LYS 3 2HG LYS 3 -5.013 0.587 -24.919 22 HD2 LYS 3 1HD LYS 3 -5.999 1.289 -26.847 23 HD3 LYS 3 2HD LYS 3 -4.528 0.785 -27.655 24 HE2 LYS 3 1HE LYS 3 -5.456 -1.368 -28.234 25 HE3 LYS 3 2HE LYS 3 -6.798 -1.175 -27.123 26 HZ1 LYS 3 2HZ LYS 3 -6.430 0.044 -29.757 27 HZ3 LYS 3 1HZ LYS 3 -7.233 0.927 -28.649 28 H TRP 4 H TRP 4 -1.199 0.098 -22.701 29 HA TRP 4 HA TRP 4 1.231 -0.627 -24.185 30 HD1 TRP 4 HD1 TRP 4 -0.357 3.003 -22.261 31 HE1 TRP 4 HE1 TRP 4 -1.051 3.541 -19.773 32 HE3 TRP 4 HE3 TRP 4 2.506 -0.616 -20.126 33 HZ2 TRP 4 HZ2 TRP 4 -0.341 2.418 -17.247 34 HZ3 TRP 4 HZ3 TRP 4 2.449 -0.828 -17.643 35 HH2 TRP 4 HH2 TRP 4 1.089 0.615 -16.214 36 HB2 TRP 4 1HB TRP 4 2.539 0.501 -22.409 37 HB3 TRP 4 2HB TRP 4 1.626 1.585 -23.440 38 H THR 5 H THR 5 2.052 -2.593 -23.548 39 HA THR 5 HA THR 5 0.667 -3.957 -21.390 40 HB THR 5 HB THR 5 2.807 -4.894 -23.374 41 HG1 THR 5 HG1 THR 5 0.800 -5.643 -24.458 42 HG21 THR 5 3HG2 THR 5 2.457 -7.022 -22.574 43 HG22 THR 5 1HG2 THR 5 1.817 -6.221 -21.119 44 HG23 THR 5 2HG2 THR 5 0.706 -6.750 -22.405 45 H TYR 6 H TYR 6 1.710 -4.975 -19.604 46 HA TYR 6 HA TYR 6 4.236 -3.631 -18.914 47 HD1 TYR 6 HD1 TYR 6 3.049 -5.376 -15.105 48 HD2 TYR 6 HD2 TYR 6 4.161 -1.751 -17.087 49 HE1 TYR 6 HE1 TYR 6 4.487 -4.719 -13.114 50 HE2 TYR 6 HE2 TYR 6 5.595 -1.106 -15.089 51 HH TYR 6 HH TYR 6 6.536 -3.256 -12.779 52 HB2 TYR 6 1HB TYR 6 1.990 -3.165 -17.648 53 HB3 TYR 6 2HB TYR 6 2.033 -4.840 -17.133 54 H ASN 7 H ASN 7 2.288 -6.564 -17.983 55 HA ASN 7 HA ASN 7 4.752 -8.073 -18.300 56 HB2 ASN 7 1HB ASN 7 3.014 -7.791 -15.870 57 HB3 ASN 7 2HB ASN 7 3.513 -9.429 -16.243 58 HD21 ASN 7 2HD2 ASN 7 6.091 -8.196 -13.999 59 HD22 ASN 7 1HD2 ASN 7 4.432 -8.692 -13.990 60 H GLY 8 H GLY 8 3.592 -8.575 -20.416 61 HA2 GLY 8 1HA GLY 8 2.584 -10.210 -21.631 62 HA3 GLY 8 2HA GLY 8 2.007 -10.965 -20.158 63 H ILE 9 H ILE 9 0.368 -9.304 -18.883 64 HA ILE 9 HA ILE 9 -1.911 -9.223 -20.501 65 HB ILE 9 HB ILE 9 -2.864 -7.941 -18.558 66 HG12 ILE 9 1HG1 ILE 9 -0.899 -8.461 -16.609 67 HG13 ILE 9 2HG1 ILE 9 -0.049 -7.674 -17.924 68 HG21 ILE 9 1HG2 ILE 9 -1.822 -10.166 -17.103 69 HG22 ILE 9 2HG2 ILE 9 -3.416 -9.974 -17.871 70 HG23 ILE 9 3HG2 ILE 9 -2.058 -10.656 -18.798 71 HD11 ILE 9 3HD1 ILE 9 -2.175 -6.603 -16.127 72 HD12 ILE 9 1HD1 ILE 9 -0.814 -5.762 -16.907 73 HD13 ILE 9 2HD1 ILE 9 -2.293 -6.112 -17.834 74 H THR 10 H THR 10 -2.980 -7.552 -21.580 75 HA THR 10 HA THR 10 -1.319 -5.162 -21.999 76 HB THR 10 HB THR 10 -3.525 -6.401 -23.728 77 HG1 THR 10 HG1 THR 10 -1.407 -7.596 -23.307 78 HG21 THR 10 3HG2 THR 10 -1.315 -4.387 -24.395 79 HG22 THR 10 1HG2 THR 10 -2.553 -5.006 -25.513 80 HG23 THR 10 2HG2 THR 10 -3.024 -3.949 -24.161 81 H TYR 11 H TYR 11 -2.377 -3.075 -22.212 82 HA TYR 11 HA TYR 11 -4.707 -2.959 -20.429 83 HD1 TYR 11 HD1 TYR 11 -3.314 -3.705 -19.217 84 HD2 TYR 11 HD2 TYR 11 -1.869 0.307 -18.877 85 HE1 TYR 11 HE1 TYR 11 -2.386 -4.227 -16.908 86 HE2 TYR 11 HE2 TYR 11 -0.946 -0.228 -16.570 87 HH TYR 11 HH TYR 11 -0.536 -3.327 -15.468 88 HB2 TYR 11 1HB TYR 11 -2.370 -1.153 -21.244 89 HB3 TYR 11 2HB TYR 11 -3.791 -0.436 -20.511 90 H GLU 12 H GLU 12 -6.653 -2.281 -21.199 91 HA GLU 12 HA GLU 12 -6.597 -1.082 -23.859 92 HE2 GLU 12 HE2 GLU 12 -10.757 -4.518 -21.650 93 HB2 GLU 12 1HB GLU 12 -8.773 -2.106 -24.281 94 HB3 GLU 12 2HB GLU 12 -7.646 -3.347 -23.769 95 HG2 GLU 12 1HG GLU 12 -8.778 -3.760 -21.813 96 HG3 GLU 12 2HG GLU 12 -9.101 -2.063 -21.520 97 H GLY 13 H GLY 13 -8.194 0.620 -24.305 98 HA2 GLY 13 1HA GLY 13 -10.053 1.907 -23.324 99 HA3 GLY 13 2HA GLY 13 -9.140 1.941 -21.829 100 H GLY 14 H GLY 14 -7.737 3.626 -21.467 101 HA2 GLY 14 1HA GLY 14 -6.038 5.095 -22.200 102 HA3 GLY 14 2HA GLY 14 -6.742 5.114 -23.805 103 H GLY 15 H GLY 15 -6.156 7.197 -21.481 104 HA2 GLY 15 1HA GLY 15 -7.430 9.325 -21.936 105 HA3 GLY 15 2HA GLY 15 -8.847 8.419 -21.445 106 H GLY 16 H GLY 16 -9.088 7.719 -19.218 107 HA2 GLY 16 1HA GLY 16 -7.127 8.868 -17.340 108 HA3 GLY 16 2HA GLY 16 -8.828 9.266 -17.198 109 H GLY 17 H GLY 17 -8.657 8.257 -15.012 110 HA2 GLY 17 1HA GLY 17 -9.936 6.123 -14.423 111 HA3 GLY 17 2HA GLY 17 -8.537 5.312 -15.099 112 H GLY 18 H GLY 18 -9.659 5.432 -12.267 113 HA2 GLY 18 1HA GLY 18 -7.100 5.936 -10.960 114 HA3 GLY 18 2HA GLY 18 -8.460 6.903 -10.423 115 H GLY 19 H GLY 19 -7.303 5.273 -8.551 116 HA2 GLY 19 1HA GLY 19 -9.361 3.192 -8.194 117 HA3 GLY 19 2HA GLY 19 -7.664 2.801 -7.997 118 H GLY 20 H GLY 20 -6.389 3.997 -6.325 119 HA2 GLY 20 1HA GLY 20 -7.539 3.973 -3.839 120 HA3 GLY 20 2HA GLY 20 -6.101 4.876 -4.273 121 H SER 21 H SER 21 -7.351 6.151 -2.373 122 HA SER 21 HA SER 21 -8.165 8.528 -3.543 123 HG SER 21 HG SER 21 -11.636 7.601 -1.759 124 HB2 SER 21 1HB SER 21 -10.472 8.598 -3.337 125 HB3 SER 21 2HB SER 21 -10.265 6.906 -3.742 126 H ALA 22 H ALA 22 -8.464 10.222 -1.892 127 HA ALA 22 HA ALA 22 -6.899 9.857 0.358 128 HB1 ALA 22 3HB ALA 22 -7.098 12.076 -0.168 129 HB2 ALA 22 1HB ALA 22 -8.787 11.907 -0.705 130 HB3 ALA 22 2HB ALA 22 -8.411 12.002 1.032 131 H ALA 23 H ALA 23 -10.421 9.452 -0.168 132 HA ALA 23 HA ALA 23 -10.902 9.043 2.639 133 HB1 ALA 23 3HB ALA 23 -12.594 10.128 1.268 134 HB2 ALA 23 1HB ALA 23 -12.626 8.745 0.148 135 HB3 ALA 23 2HB ALA 23 -13.219 8.554 1.815 136 H GLU 24 H GLU 24 -9.889 7.182 -0.141 137 HA GLU 24 HA GLU 24 -10.919 4.720 0.767 138 HE2 GLU 24 HE2 GLU 24 -12.933 3.085 -2.669 139 HB2 GLU 24 1HB GLU 24 -8.972 5.609 -1.357 140 HB3 GLU 24 2HB GLU 24 -8.999 3.913 -0.915 141 HG2 GLU 24 1HG GLU 24 -11.655 5.238 -1.410 142 HG3 GLU 24 2HG GLU 24 -10.638 4.948 -2.807 143 H ALA 25 H ALA 25 -8.128 6.696 1.544 144 HA ALA 25 HA ALA 25 -6.501 4.565 2.507 145 HB1 ALA 25 3HB ALA 25 -5.090 6.381 3.333 146 HB2 ALA 25 1HB ALA 25 -5.642 6.759 1.683 147 HB3 ALA 25 2HB ALA 25 -6.405 7.554 3.081 148 H TYR 26 H TYR 26 -9.255 6.373 3.686 149 HA TYR 26 HA TYR 26 -8.652 5.691 6.453 150 HD1 TYR 26 HD1 TYR 26 -12.178 7.843 4.075 151 HD2 TYR 26 HD2 TYR 26 -11.582 5.863 7.821 152 HE1 TYR 26 HE1 TYR 26 -14.684 7.466 4.283 153 HE2 TYR 26 HE2 TYR 26 -14.090 5.493 8.016 154 HH TYR 26 HH TYR 26 -16.304 7.131 6.133 155 HB2 TYR 26 1HB TYR 26 -9.882 7.648 6.691 156 HB3 TYR 26 2HB TYR 26 -10.034 7.728 4.947 157 H ALA 27 H ALA 27 -11.261 5.184 3.975 158 HA ALA 27 HA ALA 27 -12.753 3.437 5.580 159 HB1 ALA 27 3HB ALA 27 -12.731 3.268 2.574 160 HB2 ALA 27 1HB ALA 27 -14.107 3.233 3.703 161 HB3 ALA 27 2HB ALA 27 -13.281 4.770 3.355 162 H LYS 28 H LYS 28 -9.685 3.094 4.062 163 HA LYS 28 HA LYS 28 -9.964 0.239 3.677 164 HB2 LYS 28 1HB LYS 28 -8.730 1.416 1.998 165 HB3 LYS 28 2HB LYS 28 -7.718 2.208 3.189 166 HG2 LYS 28 1HG LYS 28 -6.444 0.296 3.599 167 HG3 LYS 28 2HG LYS 28 -7.761 -0.799 3.231 168 HD2 LYS 28 1HD LYS 28 -6.370 -1.088 1.361 169 HD3 LYS 28 2HD LYS 28 -7.519 0.093 0.766 170 HE2 LYS 28 1HE LYS 28 -5.974 1.916 1.063 171 HE3 LYS 28 2HE LYS 28 -4.915 0.960 2.081 172 HZ1 LYS 28 2HZ LYS 28 -4.703 -0.518 -0.024 173 HZ3 LYS 28 1HZ LYS 28 -3.875 0.884 0.012 174 H ARG 29 H ARG 29 -8.121 2.559 5.762 175 HA ARG 29 HA ARG 29 -6.878 0.572 7.230 176 HE ARG 29 HE ARG 29 -7.271 1.314 11.638 177 HB2 ARG 29 1HB ARG 29 -5.901 2.697 7.486 178 HB3 ARG 29 2HB ARG 29 -7.446 3.512 7.613 179 HG2 ARG 29 1HG ARG 29 -6.299 3.494 9.803 180 HG3 ARG 29 2HG ARG 29 -7.788 2.573 9.885 181 HD2 ARG 29 1HD ARG 29 -6.214 0.514 9.259 182 HD3 ARG 29 2HD ARG 29 -4.935 1.557 9.850 183 HH11 ARG 29 1HH1 ARG 29 -4.034 0.118 10.837 184 HH12 ARG 29 2HH1 ARG 29 -3.767 -0.574 12.402 185 HH21 ARG 29 1HH2 ARG 29 -5.477 -0.396 14.071 186 H ILE 30 H ILE 30 -9.916 2.473 7.770 187 HA ILE 30 HA ILE 30 -10.654 1.835 10.234 188 HB ILE 30 HB ILE 30 -12.334 1.765 7.730 189 HG12 ILE 30 1HG1 ILE 30 -11.004 3.865 9.040 190 HG13 ILE 30 2HG1 ILE 30 -12.198 3.981 7.762 191 HG21 ILE 30 1HG2 ILE 30 -13.497 0.529 9.471 192 HG22 ILE 30 2HG2 ILE 30 -13.241 1.864 10.620 193 HG23 ILE 30 3HG2 ILE 30 -14.280 2.104 9.194 194 HD11 ILE 30 3HD1 ILE 30 -14.029 4.055 9.405 195 HD12 ILE 30 1HD1 ILE 30 -12.873 3.803 10.735 196 HD13 ILE 30 2HD1 ILE 30 -12.827 5.310 9.790 197 H ALA 31 H ALA 31 -10.873 -0.405 7.401 198 HA ALA 31 HA ALA 31 -12.139 -2.514 8.473 199 HB1 ALA 31 3HB ALA 31 -10.802 -3.897 6.945 200 HB2 ALA 31 1HB ALA 31 -11.228 -2.352 6.170 201 HB3 ALA 31 2HB ALA 31 -9.587 -2.602 6.812 202 H GLU 32 H GLU 32 -8.559 -1.921 8.763 203 HA GLU 32 HA GLU 32 -7.918 -4.014 10.300 204 HE2 GLU 32 HE2 GLU 32 -3.791 -1.552 7.425 205 HB2 GLU 32 1HB GLU 32 -6.856 -1.207 10.817 206 HB3 GLU 32 2HB GLU 32 -6.012 -2.721 11.076 207 HG2 GLU 32 1HG GLU 32 -6.571 -3.045 8.449 208 HG3 GLU 32 2HG GLU 32 -6.610 -1.294 8.492 209 H ALA 33 H ALA 33 -8.992 -0.772 11.561 210 HA ALA 33 HA ALA 33 -8.990 -1.393 14.230 211 HB1 ALA 33 3HB ALA 33 -11.265 0.271 13.434 212 HB2 ALA 33 1HB ALA 33 -9.811 0.703 14.366 213 HB3 ALA 33 2HB ALA 33 -9.768 0.729 12.587 214 H MET 34 H MET 34 -11.781 -1.644 11.909 215 HA MET 34 HA MET 34 -13.471 -2.820 13.759 216 HB2 MET 34 1HB MET 34 -13.345 -2.937 10.697 217 HB3 MET 34 2HB MET 34 -14.704 -3.564 11.609 218 HG2 MET 34 1HG MET 34 -13.750 -0.700 12.002 219 HG3 MET 34 2HG MET 34 -14.851 -1.112 10.702 220 HE1 MET 34 3HE MET 34 -16.830 -0.099 11.086 221 HE2 MET 34 1HE MET 34 -17.521 -1.738 11.154 222 HE3 MET 34 2HE MET 34 -18.028 -0.509 12.337 223 H ALA 35 H ALA 35 -10.653 -4.070 12.273 224 HA ALA 35 HA ALA 35 -11.599 -6.811 12.244 225 HB1 ALA 35 3HB ALA 35 -8.762 -5.864 11.783 226 HB2 ALA 35 1HB ALA 35 -9.588 -7.291 11.114 227 HB3 ALA 35 2HB ALA 35 -10.013 -5.663 10.533 228 H LYS 36 H LYS 36 -11.609 -8.018 14.067 229 HA LYS 36 HA LYS 36 -10.688 -7.162 16.497 230 HB2 LYS 36 1HB LYS 36 -10.941 -9.507 17.207 231 HB3 LYS 36 2HB LYS 36 -12.303 -8.944 16.259 232 HG2 LYS 36 1HG LYS 36 -10.909 -9.943 14.213 233 HG3 LYS 36 2HG LYS 36 -10.110 -10.871 15.466 234 HD2 LYS 36 1HD LYS 36 -11.929 -12.214 15.802 235 HD3 LYS 36 2HD LYS 36 -13.046 -10.864 15.782 236 HE2 LYS 36 1HE LYS 36 -13.731 -11.693 13.767 237 HE3 LYS 36 2HE LYS 36 -12.279 -10.953 13.124 238 HZ1 LYS 36 2HZ LYS 36 -11.171 -13.170 13.796 239 HZ3 LYS 36 1HZ LYS 36 -12.113 -13.179 12.468 240 H GLY 37 H GLY 37 -9.038 -9.397 14.159 241 HA2 GLY 37 1HA GLY 37 -6.493 -8.667 15.482 242 HA3 GLY 37 2HA GLY 37 -6.867 -10.303 14.976 Start of MODEL 5 1 HA ARG 1 HA ARG 1 5.193 4.458 -15.398 2 HE ARG 1 HE ARG 1 8.203 7.272 -15.893 3 H1 ARG 1 1H ARG 1 5.114 2.234 -13.547 4 HB2 ARG 1 1HB ARG 1 6.919 4.002 -13.442 5 HB3 ARG 1 2HB ARG 1 7.604 2.816 -14.536 6 HG2 ARG 1 1HG ARG 1 8.605 4.424 -15.793 7 HG3 ARG 1 2HG ARG 1 7.109 5.322 -15.956 8 HD2 ARG 1 1HD ARG 1 7.568 6.067 -13.459 9 HD3 ARG 1 2HD ARG 1 9.210 5.545 -13.776 10 HH11 ARG 1 1HH1 ARG 1 9.634 7.293 -12.652 11 HH12 ARG 1 2HH1 ARG 1 10.290 8.887 -12.816 12 HH21 ARG 1 1HH2 ARG 1 9.944 10.093 -14.858 13 H GLY 2 H GLY 2 5.041 4.022 -17.576 14 HA2 GLY 2 1HA GLY 2 6.124 2.819 -19.409 15 HA3 GLY 2 2HA GLY 2 5.905 1.342 -18.491 16 H LYS 3 H LYS 3 4.758 0.609 -20.512 17 HA LYS 3 HA LYS 3 2.236 1.859 -21.075 18 HB2 LYS 3 1HB LYS 3 3.696 -0.551 -22.170 19 HB3 LYS 3 2HB LYS 3 2.060 -0.155 -22.655 20 HG2 LYS 3 1HG LYS 3 3.049 2.265 -23.089 21 HG3 LYS 3 2HG LYS 3 4.598 1.446 -23.092 22 HD2 LYS 3 1HD LYS 3 4.077 1.254 -25.346 23 HD3 LYS 3 2HD LYS 3 3.349 -0.230 -24.767 24 HE2 LYS 3 1HE LYS 3 1.324 0.473 -25.506 25 HE3 LYS 3 2HE LYS 3 1.390 1.830 -24.399 26 HZ1 LYS 3 2HZ LYS 3 2.040 1.771 -27.239 27 HZ3 LYS 3 1HZ LYS 3 2.978 2.738 -26.325 28 H TRP 4 H TRP 4 0.605 1.657 -19.629 29 HA TRP 4 HA TRP 4 0.453 -0.329 -17.700 30 HD1 TRP 4 HD1 TRP 4 -1.954 2.929 -16.036 31 HE1 TRP 4 HE1 TRP 4 -2.129 2.077 -13.545 32 HE3 TRP 4 HE3 TRP 4 -0.654 -1.884 -17.037 33 HZ2 TRP 4 HZ2 TRP 4 -1.712 -0.457 -12.300 34 HZ3 TRP 4 HZ3 TRP 4 -0.562 -3.483 -15.127 35 HH2 TRP 4 HH2 TRP 4 -1.065 -2.838 -12.824 36 HB2 TRP 4 1HB TRP 4 -0.907 1.992 -18.328 37 HB3 TRP 4 2HB TRP 4 -2.126 0.753 -18.551 38 H THR 5 H THR 5 0.836 -2.397 -18.664 39 HA THR 5 HA THR 5 -1.460 -3.380 -20.218 40 HB THR 5 HB THR 5 0.438 -4.823 -21.366 41 HG1 THR 5 HG1 THR 5 2.462 -4.049 -20.855 42 HG21 THR 5 3HG2 THR 5 1.025 -2.900 -22.938 43 HG22 THR 5 1HG2 THR 5 -0.724 -3.127 -22.705 44 HG23 THR 5 2HG2 THR 5 0.125 -1.816 -21.851 45 H TYR 6 H TYR 6 -2.438 -5.102 -19.354 46 HA TYR 6 HA TYR 6 -0.849 -6.709 -17.473 47 HD1 TYR 6 HD1 TYR 6 -1.853 -5.816 -14.343 48 HD2 TYR 6 HD2 TYR 6 -4.254 -8.331 -16.836 49 HE1 TYR 6 HE1 TYR 6 -2.164 -7.443 -12.414 50 HE2 TYR 6 HE2 TYR 6 -4.557 -9.949 -14.899 51 HH TYR 6 HH TYR 6 -2.648 -9.854 -12.156 52 HB2 TYR 6 1HB TYR 6 -2.548 -5.035 -16.466 53 HB3 TYR 6 2HB TYR 6 -3.810 -5.860 -17.359 54 H ASN 7 H ASN 7 -3.930 -6.570 -19.400 55 HA ASN 7 HA ASN 7 -3.890 -9.435 -19.546 56 HB2 ASN 7 1HB ASN 7 -5.985 -7.839 -19.305 57 HB3 ASN 7 2HB ASN 7 -5.816 -7.601 -21.033 58 HD21 ASN 7 2HD2 ASN 7 -8.226 -10.290 -20.792 59 HD22 ASN 7 1HD2 ASN 7 -8.080 -8.579 -20.565 60 H GLY 8 H GLY 8 -3.971 -6.563 -21.795 61 HA2 GLY 8 1HA GLY 8 -2.002 -7.535 -23.537 62 HA3 GLY 8 2HA GLY 8 -3.567 -7.997 -24.176 63 H ILE 9 H ILE 9 -5.061 -5.694 -23.083 64 HA ILE 9 HA ILE 9 -4.200 -3.760 -25.071 65 HB ILE 9 HB ILE 9 -6.377 -2.839 -24.883 66 HG12 ILE 9 1HG1 ILE 9 -7.575 -4.616 -22.923 67 HG13 ILE 9 2HG1 ILE 9 -6.269 -3.691 -22.209 68 HG21 ILE 9 1HG2 ILE 9 -7.579 -4.543 -25.834 69 HG22 ILE 9 2HG2 ILE 9 -5.929 -5.198 -25.962 70 HG23 ILE 9 3HG2 ILE 9 -7.009 -5.756 -24.662 71 HD11 ILE 9 3HD1 ILE 9 -7.944 -2.042 -23.988 72 HD12 ILE 9 1HD1 ILE 9 -8.868 -2.770 -22.651 73 HD13 ILE 9 2HD1 ILE 9 -7.452 -1.750 -22.302 74 H THR 10 H THR 10 -3.670 -1.594 -24.605 75 HA THR 10 HA THR 10 -2.484 -1.221 -22.030 76 HB THR 10 HB THR 10 -2.905 0.790 -24.297 77 HG1 THR 10 HG1 THR 10 -1.886 -1.028 -25.221 78 HG21 THR 10 3HG2 THR 10 -0.672 0.380 -22.237 79 HG22 THR 10 1HG2 THR 10 -0.673 1.605 -23.529 80 HG23 THR 10 2HG2 THR 10 -1.863 1.703 -22.209 81 H TYR 11 H TYR 11 -3.112 0.022 -20.309 82 HA TYR 11 HA TYR 11 -5.893 0.951 -20.457 83 HD1 TYR 11 HD1 TYR 11 -6.120 -1.000 -20.741 84 HD2 TYR 11 HD2 TYR 11 -5.592 -1.420 -16.517 85 HE1 TYR 11 HE1 TYR 11 -7.480 -3.148 -20.778 86 HE2 TYR 11 HE2 TYR 11 -6.953 -3.567 -16.567 87 HH TYR 11 HH TYR 11 -7.711 -5.182 -17.948 88 HB2 TYR 11 1HB TYR 11 -3.936 -0.032 -18.310 89 HB3 TYR 11 2HB TYR 11 -5.364 0.863 -17.832 90 H GLU 12 H GLU 12 -3.506 2.462 -21.481 91 HA GLU 12 HA GLU 12 -2.426 4.265 -19.890 92 HE2 GLU 12 HE2 GLU 12 -5.438 7.293 -24.509 93 HB2 GLU 12 1HB GLU 12 -2.429 5.836 -21.798 94 HB3 GLU 12 2HB GLU 12 -2.096 4.201 -22.333 95 HG2 GLU 12 1HG GLU 12 -3.893 4.244 -23.713 96 HG3 GLU 12 2HG GLU 12 -4.960 4.573 -22.362 97 H GLY 13 H GLY 13 -5.867 4.023 -20.699 98 HA2 GLY 13 1HA GLY 13 -6.620 5.710 -18.549 99 HA3 GLY 13 2HA GLY 13 -6.758 6.575 -20.067 100 H GLY 14 H GLY 14 -8.652 5.074 -17.948 101 HA2 GLY 14 1HA GLY 14 -10.479 4.094 -20.030 102 HA3 GLY 14 2HA GLY 14 -10.069 3.035 -18.696 103 H GLY 15 H GLY 15 -12.332 3.046 -18.027 104 HA2 GLY 15 1HA GLY 15 -12.887 5.036 -16.065 105 HA3 GLY 15 2HA GLY 15 -13.874 5.270 -17.494 106 H GLY 16 H GLY 16 -14.781 4.480 -14.803 107 HA2 GLY 16 1HA GLY 16 -15.970 1.865 -15.504 108 HA3 GLY 16 2HA GLY 16 -15.356 2.203 -13.898 109 H GLY 17 H GLY 17 -17.359 2.039 -12.807 110 HA2 GLY 17 1HA GLY 17 -19.376 4.063 -13.575 111 HA3 GLY 17 2HA GLY 17 -19.739 2.512 -12.844 112 H GLY 18 H GLY 18 -20.440 2.823 -10.774 113 HA2 GLY 18 1HA GLY 18 -20.117 5.023 -9.201 114 HA3 GLY 18 2HA GLY 18 -20.368 3.398 -8.597 115 H GLY 19 H GLY 19 -18.626 2.188 -7.737 116 HA2 GLY 19 1HA GLY 19 -16.238 3.785 -7.164 117 HA3 GLY 19 2HA GLY 19 -16.777 2.341 -6.331 118 H GLY 20 H GLY 20 -14.394 1.768 -6.664 119 HA2 GLY 20 1HA GLY 20 -14.158 -0.170 -8.694 120 HA3 GLY 20 2HA GLY 20 -13.306 1.278 -9.190 121 H SER 21 H SER 21 -11.928 -1.142 -8.709 122 HA SER 21 HA SER 21 -11.012 -1.444 -6.136 123 HG SER 21 HG SER 21 -9.866 -1.086 -9.377 124 HB2 SER 21 1HB SER 21 -8.986 -2.520 -7.303 125 HB3 SER 21 2HB SER 21 -10.559 -3.193 -7.681 126 H ALA 22 H ALA 22 -10.472 1.096 -8.431 127 HA ALA 22 HA ALA 22 -7.861 1.846 -7.771 128 HB1 ALA 22 3HB ALA 22 -9.330 2.588 -9.729 129 HB2 ALA 22 1HB ALA 22 -10.127 3.696 -8.587 130 HB3 ALA 22 2HB ALA 22 -8.388 3.868 -8.928 131 H ALA 23 H ALA 23 -10.837 1.929 -5.975 132 HA ALA 23 HA ALA 23 -9.679 3.898 -4.131 133 HB1 ALA 23 3HB ALA 23 -11.888 4.471 -5.089 134 HB2 ALA 23 1HB ALA 23 -12.551 2.941 -4.467 135 HB3 ALA 23 2HB ALA 23 -11.991 4.194 -3.334 136 H GLU 24 H GLU 24 -9.100 0.885 -4.542 137 HA GLU 24 HA GLU 24 -10.195 -0.257 -2.168 138 HE2 GLU 24 HE2 GLU 24 -6.392 -3.092 -6.292 139 HB2 GLU 24 1HB GLU 24 -9.264 -2.287 -2.908 140 HB3 GLU 24 2HB GLU 24 -9.611 -1.453 -4.410 141 HG2 GLU 24 1HG GLU 24 -7.254 -0.680 -4.557 142 HG3 GLU 24 2HG GLU 24 -6.892 -1.431 -3.015 143 H ALA 25 H ALA 25 -7.033 1.030 -3.322 144 HA ALA 25 HA ALA 25 -5.398 0.251 -1.289 145 HB1 ALA 25 3HB ALA 25 -5.556 2.776 -2.958 146 HB2 ALA 25 1HB ALA 25 -4.242 2.508 -1.788 147 HB3 ALA 25 2HB ALA 25 -4.465 1.382 -3.149 148 H TYR 26 H TYR 26 -8.067 2.574 -1.242 149 HA TYR 26 HA TYR 26 -7.240 3.575 1.365 150 HD1 TYR 26 HD1 TYR 26 -10.124 4.548 2.505 151 HD2 TYR 26 HD2 TYR 26 -10.838 4.294 -1.706 152 HE1 TYR 26 HE1 TYR 26 -12.630 4.485 2.927 153 HE2 TYR 26 HE2 TYR 26 -13.342 4.232 -1.270 154 HH TYR 26 HH TYR 26 -14.724 3.376 1.167 155 HB2 TYR 26 1HB TYR 26 -8.426 5.389 0.525 156 HB3 TYR 26 2HB TYR 26 -8.657 4.484 -0.959 157 H ALA 27 H ALA 27 -9.895 1.699 -0.215 158 HA ALA 27 HA ALA 27 -11.413 1.414 2.139 159 HB1 ALA 27 3HB ALA 27 -12.643 -0.241 0.833 160 HB2 ALA 27 1HB ALA 27 -12.253 1.155 -0.200 161 HB3 ALA 27 2HB ALA 27 -11.311 -0.349 -0.342 162 H LYS 28 H LYS 28 -8.355 0.184 1.235 163 HA LYS 28 HA LYS 28 -8.654 -2.347 2.571 164 HB2 LYS 28 1HB LYS 28 -7.156 -2.583 0.863 165 HB3 LYS 28 2HB LYS 28 -6.550 -0.945 0.999 166 HG2 LYS 28 1HG LYS 28 -4.831 -2.553 1.742 167 HG3 LYS 28 2HG LYS 28 -5.332 -1.542 3.082 168 HD2 LYS 28 1HD LYS 28 -5.779 -3.436 4.248 169 HD3 LYS 28 2HD LYS 28 -7.129 -3.715 3.167 170 HE2 LYS 28 1HE LYS 28 -5.878 -5.712 2.966 171 HE3 LYS 28 2HE LYS 28 -5.377 -4.799 1.557 172 HZ1 LYS 28 2HZ LYS 28 -3.454 -3.997 2.939 173 HZ3 LYS 28 1HZ LYS 28 -3.417 -5.599 2.644 174 H ARG 29 H ARG 29 -6.444 0.494 3.103 175 HA ARG 29 HA ARG 29 -5.665 -0.216 5.586 176 HE ARG 29 HE ARG 29 -4.812 4.249 3.292 177 HB2 ARG 29 1HB ARG 29 -6.213 2.684 4.811 178 HB3 ARG 29 2HB ARG 29 -4.949 2.085 5.867 179 HG2 ARG 29 1HG ARG 29 -4.186 0.717 3.717 180 HG3 ARG 29 2HG ARG 29 -5.134 1.907 2.849 181 HD2 ARG 29 1HD ARG 29 -3.127 2.842 4.920 182 HD3 ARG 29 2HD ARG 29 -2.557 2.351 3.337 183 HH11 ARG 29 1HH1 ARG 29 -1.289 3.873 3.238 184 HH12 ARG 29 2HH1 ARG 29 -1.009 5.429 2.532 185 HH21 ARG 29 1HH2 ARG 29 -2.878 6.841 2.025 186 H ILE 30 H ILE 30 -8.591 1.637 4.571 187 HA ILE 30 HA ILE 30 -9.542 2.656 6.837 188 HB ILE 30 HB ILE 30 -10.976 1.138 4.669 189 HG12 ILE 30 1HG1 ILE 30 -9.687 3.553 4.607 190 HG13 ILE 30 2HG1 ILE 30 -10.967 3.056 3.519 191 HG21 ILE 30 1HG2 ILE 30 -13.052 2.274 5.499 192 HG22 ILE 30 2HG2 ILE 30 -12.439 0.973 6.547 193 HG23 ILE 30 3HG2 ILE 30 -12.165 2.675 6.989 194 HD11 ILE 30 3HD1 ILE 30 -11.354 5.308 4.609 195 HD12 ILE 30 1HD1 ILE 30 -12.665 4.138 4.892 196 HD13 ILE 30 2HD1 ILE 30 -11.477 4.470 6.175 197 H ALA 31 H ALA 31 -10.205 -0.787 5.863 198 HA ALA 31 HA ALA 31 -11.464 -1.643 8.080 199 HB1 ALA 31 3HB ALA 31 -9.260 -3.292 6.824 200 HB2 ALA 31 1HB ALA 31 -10.861 -3.814 7.402 201 HB3 ALA 31 2HB ALA 31 -10.722 -2.865 5.903 202 H GLU 32 H GLU 32 -7.859 -1.540 7.629 203 HA GLU 32 HA GLU 32 -7.137 -2.524 10.029 204 HE2 GLU 32 HE2 GLU 32 -3.341 -0.821 7.412 205 HB2 GLU 32 1HB GLU 32 -5.799 -0.184 8.601 206 HB3 GLU 32 2HB GLU 32 -5.031 -1.261 9.750 207 HG2 GLU 32 1HG GLU 32 -6.064 -3.084 7.953 208 HG3 GLU 32 2HG GLU 32 -5.733 -1.730 6.890 209 H ALA 33 H ALA 33 -7.673 0.994 9.258 210 HA ALA 33 HA ALA 33 -7.255 1.988 11.780 211 HB1 ALA 33 3HB ALA 33 -7.461 3.591 10.113 212 HB2 ALA 33 1HB ALA 33 -8.885 2.809 9.387 213 HB3 ALA 33 2HB ALA 33 -9.051 3.728 10.902 214 H MET 34 H MET 34 -10.401 0.930 10.293 215 HA MET 34 HA MET 34 -11.869 1.350 12.603 216 HB2 MET 34 1HB MET 34 -12.252 -0.539 10.218 217 HB3 MET 34 2HB MET 34 -13.496 -0.280 11.425 218 HG2 MET 34 1HG MET 34 -12.232 2.050 9.920 219 HG3 MET 34 2HG MET 34 -13.599 1.171 9.265 220 HE1 MET 34 3HE MET 34 -13.756 4.552 10.323 221 HE2 MET 34 1HE MET 34 -13.596 4.526 12.095 222 HE3 MET 34 2HE MET 34 -12.311 3.834 11.075 223 H ALA 35 H ALA 35 -9.448 -0.976 11.948 224 HA ALA 35 HA ALA 35 -10.631 -2.987 13.688 225 HB1 ALA 35 3HB ALA 35 -7.987 -3.679 12.921 226 HB2 ALA 35 1HB ALA 35 -9.513 -4.329 12.275 227 HB3 ALA 35 2HB ALA 35 -8.742 -2.926 11.496 228 H LYS 36 H LYS 36 -10.639 -1.511 15.583 229 HA LYS 36 HA LYS 36 -8.488 -0.218 16.617 230 HB2 LYS 36 1HB LYS 36 -9.610 -0.307 18.727 231 HB3 LYS 36 2HB LYS 36 -10.827 -0.174 17.474 232 HG2 LYS 36 1HG LYS 36 -11.726 -2.218 17.963 233 HG3 LYS 36 2HG LYS 36 -10.154 -2.985 18.076 234 HD2 LYS 36 1HD LYS 36 -9.916 -1.731 20.359 235 HD3 LYS 36 2HD LYS 36 -11.640 -1.441 20.236 236 HE2 LYS 36 1HE LYS 36 -11.711 -3.461 21.372 237 HE3 LYS 36 2HE LYS 36 -11.700 -4.085 19.735 238 HZ1 LYS 36 2HZ LYS 36 -9.066 -3.822 20.232 239 HZ3 LYS 36 1HZ LYS 36 -9.888 -5.206 20.477 240 H GLY 37 H GLY 37 -7.157 -0.870 18.620 241 HA2 GLY 37 1HA GLY 37 -6.570 -3.435 19.362 242 HA3 GLY 37 2HA GLY 37 -5.625 -3.186 17.907 Start of MODEL 6 1 HA ARG 1 HA ARG 1 -6.269 8.656 -10.613 2 HE ARG 1 HE ARG 1 -5.251 13.058 -8.398 3 H1 ARG 1 1H ARG 1 -5.581 7.223 -8.258 4 HB2 ARG 1 1HB ARG 1 -4.790 9.969 -8.322 5 HB3 ARG 1 2HB ARG 1 -4.310 10.378 -9.957 6 HG2 ARG 1 1HG ARG 1 -7.157 10.465 -9.960 7 HG3 ARG 1 2HG ARG 1 -6.668 11.241 -8.466 8 HD2 ARG 1 1HD ARG 1 -5.102 12.013 -10.903 9 HD3 ARG 1 2HD ARG 1 -6.773 12.537 -10.876 10 HH11 ARG 1 1HH1 ARG 1 -6.393 14.351 -11.493 11 HH12 ARG 1 2HH1 ARG 1 -6.203 16.004 -11.013 12 HH21 ARG 1 1HH2 ARG 1 -5.384 16.503 -8.817 13 H GLY 2 H GLY 2 -4.868 8.009 -12.255 14 HA2 GLY 2 1HA GLY 2 -2.633 7.610 -13.002 15 HA3 GLY 2 2HA GLY 2 -2.254 6.898 -11.446 16 H LYS 3 H LYS 3 -1.472 5.114 -13.006 17 HA LYS 3 HA LYS 3 -3.409 3.598 -14.390 18 HB2 LYS 3 1HB LYS 3 -1.618 2.032 -14.762 19 HB3 LYS 3 2HB LYS 3 -1.004 3.661 -14.960 20 HG2 LYS 3 1HG LYS 3 -0.230 3.550 -12.508 21 HG3 LYS 3 2HG LYS 3 -0.639 1.846 -12.535 22 HD2 LYS 3 1HD LYS 3 1.181 1.289 -13.823 23 HD3 LYS 3 2HD LYS 3 1.028 2.709 -14.840 24 HE2 LYS 3 1HE LYS 3 2.062 4.123 -13.095 25 HE3 LYS 3 2HE LYS 3 2.113 2.769 -11.983 26 HZ1 LYS 3 2HZ LYS 3 4.227 3.234 -13.279 27 HZ3 LYS 3 1HZ LYS 3 3.483 2.659 -14.608 28 H TRP 4 H TRP 4 -4.816 2.067 -13.690 29 HA TRP 4 HA TRP 4 -4.416 1.103 -10.939 30 HD1 TRP 4 HD1 TRP 4 -6.911 4.003 -13.121 31 HE1 TRP 4 HE1 TRP 4 -8.690 3.727 -15.050 32 HE3 TRP 4 HE3 TRP 4 -7.994 -0.868 -12.141 33 HZ2 TRP 4 HZ2 TRP 4 -10.315 1.553 -15.929 34 HZ3 TRP 4 HZ3 TRP 4 -9.689 -1.993 -13.582 35 HH2 TRP 4 HH2 TRP 4 -10.834 -0.863 -15.422 36 HB2 TRP 4 1HB TRP 4 -6.881 0.962 -10.786 37 HB3 TRP 4 2HB TRP 4 -6.257 2.596 -10.895 38 H THR 5 H THR 5 -5.281 -1.132 -10.591 39 HA THR 5 HA THR 5 -5.569 -2.662 -13.075 40 HB THR 5 HB THR 5 -3.919 -4.313 -12.191 41 HG1 THR 5 HG1 THR 5 -2.725 -3.393 -10.231 42 HG21 THR 5 3HG2 THR 5 -3.244 -1.744 -13.168 43 HG22 THR 5 1HG2 THR 5 -2.249 -1.940 -11.705 44 HG23 THR 5 2HG2 THR 5 -2.140 -3.133 -13.021 45 H TYR 6 H TYR 6 -6.965 -4.394 -12.977 46 HA TYR 6 HA TYR 6 -8.395 -4.617 -10.417 47 HD1 TYR 6 HD1 TYR 6 -10.713 -3.276 -10.545 48 HD2 TYR 6 HD2 TYR 6 -11.078 -6.918 -12.760 49 HE1 TYR 6 HE1 TYR 6 -12.971 -3.717 -9.462 50 HE2 TYR 6 HE2 TYR 6 -13.335 -7.346 -11.670 51 HH TYR 6 HH TYR 6 -14.702 -5.000 -9.375 52 HB2 TYR 6 1HB TYR 6 -9.396 -3.794 -12.761 53 HB3 TYR 6 2HB TYR 6 -9.291 -5.483 -13.219 54 H ASN 7 H ASN 7 -7.434 -6.527 -13.361 55 HA ASN 7 HA ASN 7 -7.929 -8.963 -12.061 56 HB2 ASN 7 1HB ASN 7 -7.099 -8.032 -14.693 57 HB3 ASN 7 2HB ASN 7 -6.033 -9.333 -14.199 58 HD21 ASN 7 2HD2 ASN 7 -9.259 -10.464 -15.934 59 HD22 ASN 7 1HD2 ASN 7 -8.166 -9.156 -16.242 60 H GLY 8 H GLY 8 -4.842 -7.467 -13.323 61 HA2 GLY 8 1HA GLY 8 -3.283 -7.465 -11.124 62 HA3 GLY 8 2HA GLY 8 -3.230 -9.148 -11.609 63 H ILE 9 H ILE 9 -3.488 -6.186 -13.681 64 HA ILE 9 HA ILE 9 -0.747 -6.394 -14.480 65 HB ILE 9 HB ILE 9 -1.361 -6.742 -16.902 66 HG12 ILE 9 1HG1 ILE 9 -3.584 -8.397 -16.691 67 HG13 ILE 9 2HG1 ILE 9 -4.010 -7.022 -15.692 68 HG21 ILE 9 1HG2 ILE 9 -1.895 -9.172 -15.192 69 HG22 ILE 9 2HG2 ILE 9 -1.068 -9.071 -16.766 70 HG23 ILE 9 3HG2 ILE 9 -0.287 -8.417 -15.307 71 HD11 ILE 9 3HD1 ILE 9 -3.142 -6.977 -18.612 72 HD12 ILE 9 1HD1 ILE 9 -4.718 -6.497 -17.938 73 HD13 ILE 9 2HD1 ILE 9 -3.274 -5.507 -17.617 74 H THR 10 H THR 10 -0.017 -4.447 -15.333 75 HA THR 10 HA THR 10 -1.434 -2.158 -14.779 76 HB THR 10 HB THR 10 0.689 -2.511 -16.955 77 HG1 THR 10 HG1 THR 10 2.102 -2.339 -15.027 78 HG21 THR 10 3HG2 THR 10 1.495 -0.324 -15.941 79 HG22 THR 10 1HG2 THR 10 -0.090 -0.184 -16.740 80 HG23 THR 10 2HG2 THR 10 0.007 -0.284 -14.965 81 H TYR 11 H TYR 11 -2.848 -0.807 -15.803 82 HA TYR 11 HA TYR 11 -3.912 -1.861 -18.334 83 HD1 TYR 11 HD1 TYR 11 -7.501 -1.207 -15.447 84 HD2 TYR 11 HD2 TYR 11 -4.217 -3.395 -17.100 85 HE1 TYR 11 HE1 TYR 11 -8.522 -3.382 -14.615 86 HE2 TYR 11 HE2 TYR 11 -5.249 -5.563 -16.263 87 HH TYR 11 HH TYR 11 -8.439 -5.750 -15.210 88 HB2 TYR 11 1HB TYR 11 -4.997 -0.217 -15.971 89 HB3 TYR 11 2HB TYR 11 -5.903 -0.363 -17.464 90 H GLU 12 H GLU 12 -4.853 -0.159 -19.824 91 HA GLU 12 HA GLU 12 -3.425 2.358 -19.545 92 HE2 GLU 12 HE2 GLU 12 -2.926 0.367 -25.501 93 HB2 GLU 12 1HB GLU 12 -2.768 2.318 -21.906 94 HB3 GLU 12 2HB GLU 12 -2.128 0.905 -21.091 95 HG2 GLU 12 1HG GLU 12 -4.058 -0.452 -21.944 96 HG3 GLU 12 2HG GLU 12 -4.680 0.961 -22.771 97 H GLY 13 H GLY 13 -4.364 4.090 -21.055 98 HA2 GLY 13 1HA GLY 13 -6.926 3.667 -22.225 99 HA3 GLY 13 2HA GLY 13 -7.073 4.408 -20.644 100 H GLY 14 H GLY 14 -7.962 5.912 -22.729 101 HA2 GLY 14 1HA GLY 14 -5.941 8.040 -22.859 102 HA3 GLY 14 2HA GLY 14 -6.636 7.443 -24.353 103 H GLY 15 H GLY 15 -7.069 10.061 -23.944 104 HA2 GLY 15 1HA GLY 15 -9.372 10.923 -24.366 105 HA3 GLY 15 2HA GLY 15 -9.795 10.241 -22.809 106 H GLY 16 H GLY 16 -9.900 11.743 -21.206 107 HA2 GLY 16 1HA GLY 16 -8.042 14.039 -21.370 108 HA3 GLY 16 2HA GLY 16 -9.662 14.098 -20.703 109 H GLY 17 H GLY 17 -9.796 14.038 -18.506 110 HA2 GLY 17 1HA GLY 17 -7.525 13.570 -16.892 111 HA3 GLY 17 2HA GLY 17 -9.182 13.774 -16.358 112 H GLY 18 H GLY 18 -8.658 12.083 -14.727 113 HA2 GLY 18 1HA GLY 18 -8.049 9.424 -15.598 114 HA3 GLY 18 2HA GLY 18 -8.491 9.951 -13.986 115 H GLY 19 H GLY 19 -10.312 8.954 -13.258 116 HA2 GLY 19 1HA GLY 19 -12.718 8.909 -13.462 117 HA3 GLY 19 2HA GLY 19 -12.535 8.617 -15.180 118 H GLY 20 H GLY 20 -12.568 7.197 -11.971 119 HA2 GLY 20 1HA GLY 20 -13.197 4.644 -12.800 120 HA3 GLY 20 2HA GLY 20 -11.450 4.666 -12.658 121 H SER 21 H SER 21 -13.051 3.037 -10.985 122 HA SER 21 HA SER 21 -13.840 4.152 -8.630 123 HG SER 21 HG SER 21 -12.428 0.490 -9.553 124 HB2 SER 21 1HB SER 21 -13.778 1.934 -7.725 125 HB3 SER 21 2HB SER 21 -14.143 1.751 -9.429 126 H ALA 22 H ALA 22 -12.783 5.057 -6.883 127 HA ALA 22 HA ALA 22 -9.856 4.837 -6.895 128 HB1 ALA 22 3HB ALA 22 -9.963 6.966 -5.590 129 HB2 ALA 22 1HB ALA 22 -10.693 7.108 -7.207 130 HB3 ALA 22 2HB ALA 22 -11.733 6.955 -5.771 131 H ALA 23 H ALA 23 -12.775 4.949 -4.741 132 HA ALA 23 HA ALA 23 -11.395 4.237 -2.416 133 HB1 ALA 23 3HB ALA 23 -13.432 4.624 -1.543 134 HB2 ALA 23 1HB ALA 23 -14.014 4.922 -3.198 135 HB3 ALA 23 2HB ALA 23 -14.149 3.296 -2.487 136 H GLU 24 H GLU 24 -12.330 2.428 -5.256 137 HA GLU 24 HA GLU 24 -12.246 -0.070 -3.837 138 HE2 GLU 24 HE2 GLU 24 -17.086 -0.113 -6.861 139 HB2 GLU 24 1HB GLU 24 -12.627 0.594 -6.789 140 HB3 GLU 24 2HB GLU 24 -12.663 -1.035 -6.143 141 HG2 GLU 24 1HG GLU 24 -14.529 -0.302 -4.573 142 HG3 GLU 24 2HG GLU 24 -14.546 1.249 -5.390 143 H ALA 25 H ALA 25 -9.871 1.915 -4.237 144 HA ALA 25 HA ALA 25 -8.016 -0.145 -5.199 145 HB1 ALA 25 3HB ALA 25 -6.981 1.287 -6.663 146 HB2 ALA 25 1HB ALA 25 -8.612 1.997 -6.725 147 HB3 ALA 25 2HB ALA 25 -7.361 2.729 -5.692 148 H TYR 26 H TYR 26 -8.531 2.911 -3.332 149 HA TYR 26 HA TYR 26 -6.150 2.328 -1.766 150 HD1 TYR 26 HD1 TYR 26 -6.772 4.049 0.920 151 HD2 TYR 26 HD2 TYR 26 -9.532 5.695 -1.904 152 HE1 TYR 26 HE1 TYR 26 -8.164 4.998 2.824 153 HE2 TYR 26 HE2 TYR 26 -10.916 6.639 0.009 154 HH TYR 26 HH TYR 26 -9.763 6.470 3.320 155 HB2 TYR 26 1HB TYR 26 -6.226 4.649 -1.682 156 HB3 TYR 26 2HB TYR 26 -7.655 4.595 -2.695 157 H ALA 27 H ALA 27 -9.710 2.861 -1.295 158 HA ALA 27 HA ALA 27 -9.645 2.296 1.457 159 HB1 ALA 27 3HB ALA 27 -11.839 2.849 1.319 160 HB2 ALA 27 1HB ALA 27 -11.462 3.295 -0.362 161 HB3 ALA 27 2HB ALA 27 -12.143 1.691 0.001 162 H LYS 28 H LYS 28 -9.264 0.309 -1.342 163 HA LYS 28 HA LYS 28 -10.330 -2.054 -0.062 164 HB2 LYS 28 1HB LYS 28 -10.252 -3.030 -2.120 165 HB3 LYS 28 2HB LYS 28 -10.345 -1.352 -2.614 166 HG2 LYS 28 1HG LYS 28 -7.885 -1.252 -2.875 167 HG3 LYS 28 2HG LYS 28 -7.727 -2.888 -2.266 168 HD2 LYS 28 1HD LYS 28 -9.644 -2.743 -4.497 169 HD3 LYS 28 2HD LYS 28 -8.069 -2.128 -4.959 170 HE2 LYS 28 1HE LYS 28 -7.188 -4.222 -5.012 171 HE3 LYS 28 2HE LYS 28 -7.732 -4.553 -3.379 172 HZ1 LYS 28 2HZ LYS 28 -8.958 -6.061 -4.619 173 HZ3 LYS 28 1HZ LYS 28 -9.149 -5.076 -5.901 174 H ARG 29 H ARG 29 -7.130 -0.728 -1.121 175 HA ARG 29 HA ARG 29 -5.688 -2.896 -0.186 176 HE ARG 29 HE ARG 29 -1.087 -1.698 -0.533 177 HB2 ARG 29 1HB ARG 29 -4.488 -1.503 -1.659 178 HB3 ARG 29 2HB ARG 29 -5.060 -0.029 -0.904 179 HG2 ARG 29 1HG ARG 29 -2.670 -0.383 -0.389 180 HG3 ARG 29 2HG ARG 29 -3.625 -0.457 1.079 181 HD2 ARG 29 1HD ARG 29 -2.948 -2.588 1.489 182 HD3 ARG 29 2HD ARG 29 -3.482 -3.117 -0.094 183 HH11 ARG 29 1HH1 ARG 29 -2.076 -4.599 1.243 184 HH12 ARG 29 2HH1 ARG 29 -0.533 -5.371 1.087 185 HH21 ARG 29 1HH2 ARG 29 1.230 -4.246 -0.082 186 H ILE 30 H ILE 30 -6.569 0.285 1.304 187 HA ILE 30 HA ILE 30 -5.142 0.381 3.535 188 HB ILE 30 HB ILE 30 -8.103 0.841 3.203 189 HG12 ILE 30 1HG1 ILE 30 -5.878 2.176 2.157 190 HG13 ILE 30 2HG1 ILE 30 -7.539 2.733 2.185 191 HG21 ILE 30 1HG2 ILE 30 -7.826 0.579 5.538 192 HG22 ILE 30 2HG2 ILE 30 -6.295 1.487 5.538 193 HG23 ILE 30 3HG2 ILE 30 -7.831 2.332 5.231 194 HD11 ILE 30 3HD1 ILE 30 -5.787 4.301 3.236 195 HD12 ILE 30 1HD1 ILE 30 -7.221 3.948 4.230 196 HD13 ILE 30 2HD1 ILE 30 -5.680 3.121 4.565 197 H ALA 31 H ALA 31 -8.253 -1.500 3.374 198 HA ALA 31 HA ALA 31 -8.205 -2.674 5.786 199 HB1 ALA 31 3HB ALA 31 -8.935 -3.846 3.077 200 HB2 ALA 31 1HB ALA 31 -9.340 -4.621 4.628 201 HB3 ALA 31 2HB ALA 31 -10.011 -3.021 4.230 202 H GLU 32 H GLU 32 -6.474 -3.893 2.834 203 HA GLU 32 HA GLU 32 -5.376 -6.105 3.935 204 HE2 GLU 32 HE2 GLU 32 -6.502 -7.571 -0.059 205 HB2 GLU 32 1HB GLU 32 -4.000 -4.219 1.971 206 HB3 GLU 32 2HB GLU 32 -3.637 -5.919 2.190 207 HG2 GLU 32 1HG GLU 32 -6.359 -6.030 1.740 208 HG3 GLU 32 2HG GLU 32 -5.924 -4.638 0.769 209 H ALA 33 H ALA 33 -3.856 -2.800 3.786 210 HA ALA 33 HA ALA 33 -1.570 -3.384 5.182 211 HB1 ALA 33 3HB ALA 33 -2.497 -0.770 5.918 212 HB2 ALA 33 1HB ALA 33 -1.280 -1.212 4.696 213 HB3 ALA 33 2HB ALA 33 -2.996 -1.086 4.239 214 H MET 34 H MET 34 -4.691 -2.073 6.517 215 HA MET 34 HA MET 34 -3.858 -2.255 9.154 216 HB2 MET 34 1HB MET 34 -6.635 -2.303 7.852 217 HB3 MET 34 2HB MET 34 -6.403 -2.144 9.582 218 HG2 MET 34 1HG MET 34 -4.702 -0.174 8.671 219 HG3 MET 34 2HG MET 34 -5.923 -0.145 7.414 220 HE1 MET 34 3HE MET 34 -6.051 2.305 8.257 221 HE2 MET 34 1HE MET 34 -6.936 2.830 9.709 222 HE3 MET 34 2HE MET 34 -5.269 2.222 9.854 223 H ALA 35 H ALA 35 -4.571 -4.736 6.911 224 HA ALA 35 HA ALA 35 -5.464 -6.575 9.000 225 HB1 ALA 35 3HB ALA 35 -6.838 -6.765 7.102 226 HB2 ALA 35 1HB ALA 35 -5.474 -6.574 5.975 227 HB3 ALA 35 2HB ALA 35 -5.669 -8.090 6.886 228 H LYS 36 H LYS 36 -4.160 -8.190 9.801 229 HA LYS 36 HA LYS 36 -1.375 -8.022 9.081 230 HB2 LYS 36 1HB LYS 36 -2.687 -8.430 11.439 231 HB3 LYS 36 2HB LYS 36 -2.279 -10.078 11.008 232 HG2 LYS 36 1HG LYS 36 -0.199 -7.865 10.855 233 HG3 LYS 36 2HG LYS 36 -0.533 -8.682 12.369 234 HD2 LYS 36 1HD LYS 36 -0.246 -10.699 10.322 235 HD3 LYS 36 2HD LYS 36 1.102 -9.589 10.174 236 HE2 LYS 36 1HE LYS 36 2.023 -10.902 11.823 237 HE3 LYS 36 2HE LYS 36 1.079 -9.878 12.887 238 HZ1 LYS 36 2HZ LYS 36 -0.729 -11.751 12.200 239 HZ3 LYS 36 1HZ LYS 36 0.199 -11.853 13.535 240 H GLY 37 H GLY 37 -0.639 -9.067 7.313 241 HA2 GLY 37 1HA GLY 37 -0.042 -11.179 6.397 242 HA3 GLY 37 2HA GLY 37 -1.597 -11.824 6.884 Start of MODEL 7 1 HA ARG 1 HA ARG 1 -4.973 -9.618 -10.339 2 HE ARG 1 HE ARG 1 -2.418 -6.033 -7.580 3 H1 ARG 1 1H ARG 1 -2.570 -9.599 -11.806 4 HB2 ARG 1 1HB ARG 1 -2.765 -8.986 -9.349 5 HB3 ARG 1 2HB ARG 1 -2.685 -7.585 -10.397 6 HG2 ARG 1 1HG ARG 1 -5.228 -7.674 -8.923 7 HG3 ARG 1 2HG ARG 1 -3.857 -7.703 -7.831 8 HD2 ARG 1 1HD ARG 1 -3.876 -5.713 -10.117 9 HD3 ARG 1 2HD ARG 1 -4.837 -5.381 -8.689 10 HH11 ARG 1 1HH1 ARG 1 -3.283 -3.806 -10.197 11 HH12 ARG 1 2HH1 ARG 1 -1.955 -2.737 -9.893 12 HH21 ARG 1 1HH2 ARG 1 -0.429 -3.236 -8.114 13 H GLY 2 H GLY 2 -3.368 -7.173 -12.515 14 HA2 GLY 2 1HA GLY 2 -5.975 -6.353 -13.517 15 HA3 GLY 2 2HA GLY 2 -5.091 -5.146 -12.604 16 H LYS 3 H LYS 3 -4.898 -7.357 -15.444 17 HA LYS 3 HA LYS 3 -3.212 -5.351 -16.733 18 HB2 LYS 3 1HB LYS 3 -1.685 -7.027 -17.579 19 HB3 LYS 3 2HB LYS 3 -1.692 -7.059 -15.827 20 HG2 LYS 3 1HG LYS 3 -3.211 -9.011 -15.828 21 HG3 LYS 3 2HG LYS 3 -3.342 -8.945 -17.574 22 HD2 LYS 3 1HD LYS 3 -1.570 -10.363 -17.657 23 HD3 LYS 3 2HD LYS 3 -0.570 -9.015 -17.151 24 HE2 LYS 3 1HE LYS 3 -0.476 -9.726 -14.927 25 HE3 LYS 3 2HE LYS 3 -2.047 -10.501 -14.990 26 HZ1 LYS 3 2HZ LYS 3 -1.027 -12.428 -15.467 27 HZ3 LYS 3 1HZ LYS 3 0.435 -11.718 -15.351 28 H TRP 4 H TRP 4 -3.496 -5.224 -19.014 29 HA TRP 4 HA TRP 4 -5.204 -7.086 -20.339 30 HD1 TRP 4 HD1 TRP 4 -6.506 -4.143 -17.330 31 HE1 TRP 4 HE1 TRP 4 -6.377 -1.509 -17.248 32 HE3 TRP 4 HE3 TRP 4 -6.188 -3.478 -22.361 33 HZ2 TRP 4 HZ2 TRP 4 -6.161 0.512 -19.252 34 HZ3 TRP 4 HZ3 TRP 4 -6.021 -1.142 -23.216 35 HH2 TRP 4 HH2 TRP 4 -6.005 0.814 -21.750 36 HB2 TRP 4 1HB TRP 4 -6.964 -5.426 -20.904 37 HB3 TRP 4 2HB TRP 4 -6.985 -5.989 -19.244 38 H THR 5 H THR 5 -3.951 -7.264 -22.155 39 HA THR 5 HA THR 5 -2.590 -4.874 -23.133 40 HB THR 5 HB THR 5 -1.365 -6.586 -24.515 41 HG1 THR 5 HG1 THR 5 -2.203 -8.680 -24.464 42 HG21 THR 5 3HG2 THR 5 -1.105 -8.172 -22.160 43 HG22 THR 5 1HG2 THR 5 -0.039 -6.842 -22.671 44 HG23 THR 5 2HG2 THR 5 -1.417 -6.514 -21.592 45 H TYR 6 H TYR 6 -3.924 -3.563 -24.266 46 HA TYR 6 HA TYR 6 -6.124 -4.408 -25.723 47 HD1 TYR 6 HD1 TYR 6 -7.861 -2.122 -26.096 48 HD2 TYR 6 HD2 TYR 6 -4.252 -1.441 -28.291 49 HE1 TYR 6 HE1 TYR 6 -9.206 -1.137 -28.016 50 HE2 TYR 6 HE2 TYR 6 -5.609 -0.459 -30.204 51 HH TYR 6 HH TYR 6 -7.591 0.328 -30.783 52 HB2 TYR 6 1HB TYR 6 -5.573 -2.064 -24.988 53 HB3 TYR 6 2HB TYR 6 -4.141 -2.065 -25.998 54 H ASN 7 H ASN 7 -2.705 -3.827 -26.760 55 HA ASN 7 HA ASN 7 -3.443 -5.130 -29.263 56 HB2 ASN 7 1HB ASN 7 -2.524 -2.626 -29.169 57 HB3 ASN 7 2HB ASN 7 -0.967 -3.396 -28.941 58 HD21 ASN 7 2HD2 ASN 7 -0.792 -3.168 -32.455 59 HD22 ASN 7 1HD2 ASN 7 -0.369 -2.438 -30.942 60 H GLY 8 H GLY 8 -0.571 -4.384 -27.131 61 HA2 GLY 8 1HA GLY 8 0.063 -7.119 -26.693 62 HA3 GLY 8 2HA GLY 8 1.082 -6.445 -27.949 63 H ILE 9 H ILE 9 -0.286 -4.506 -25.263 64 HA ILE 9 HA ILE 9 2.426 -4.339 -24.146 65 HB ILE 9 HB ILE 9 2.273 -2.285 -25.099 66 HG12 ILE 9 1HG1 ILE 9 1.537 -0.621 -23.357 67 HG13 ILE 9 2HG1 ILE 9 0.914 -1.957 -22.410 68 HG21 ILE 9 1HG2 ILE 9 0.191 -0.959 -25.318 69 HG22 ILE 9 2HG2 ILE 9 0.109 -2.536 -26.138 70 HG23 ILE 9 3HG2 ILE 9 -0.712 -2.302 -24.577 71 HD11 ILE 9 3HD1 ILE 9 3.701 -1.083 -22.805 72 HD12 ILE 9 1HD1 ILE 9 3.001 -2.091 -21.516 73 HD13 ILE 9 2HD1 ILE 9 3.484 -2.831 -23.061 74 H THR 10 H THR 10 2.563 -4.099 -21.837 75 HA THR 10 HA THR 10 0.887 -5.698 -20.387 76 HB THR 10 HB THR 10 2.475 -3.261 -19.423 77 HG1 THR 10 HG1 THR 10 4.190 -4.587 -19.921 78 HG21 THR 10 3HG2 THR 10 0.988 -4.561 -17.728 79 HG22 THR 10 1HG2 THR 10 2.046 -5.955 -18.053 80 HG23 THR 10 2HG2 THR 10 2.725 -4.467 -17.350 81 H TYR 11 H TYR 11 0.813 -2.068 -20.271 82 HA TYR 11 HA TYR 11 -0.834 -0.672 -19.764 83 HD1 TYR 11 HD1 TYR 11 -3.875 -1.539 -23.039 84 HD2 TYR 11 HD2 TYR 11 -0.020 -0.425 -21.553 85 HE1 TYR 11 HE1 TYR 11 -3.506 -0.065 -25.078 86 HE2 TYR 11 HE2 TYR 11 0.335 1.045 -23.597 87 HH TYR 11 HH TYR 11 -0.849 0.836 -26.192 88 HB2 TYR 11 1HB TYR 11 -2.123 -2.997 -21.254 89 HB3 TYR 11 2HB TYR 11 -3.195 -1.789 -20.574 90 H GLU 12 H GLU 12 -0.025 -2.675 -17.718 91 HA GLU 12 HA GLU 12 -2.384 -3.551 -16.450 92 HE2 GLU 12 HE2 GLU 12 3.049 -2.634 -13.351 93 HB2 GLU 12 1HB GLU 12 -0.827 -4.095 -14.552 94 HB3 GLU 12 2HB GLU 12 -0.308 -4.756 -16.090 95 HG2 GLU 12 1HG GLU 12 1.472 -3.236 -16.309 96 HG3 GLU 12 2HG GLU 12 0.701 -2.019 -15.312 97 H GLY 13 H GLY 13 -3.584 -2.616 -14.777 98 HA2 GLY 13 1HA GLY 13 -3.111 -0.866 -12.901 99 HA3 GLY 13 2HA GLY 13 -3.016 0.218 -14.274 100 H GLY 14 H GLY 14 -4.927 0.344 -15.772 101 HA2 GLY 14 1HA GLY 14 -7.321 -0.699 -15.748 102 HA3 GLY 14 2HA GLY 14 -7.398 0.132 -14.207 103 H GLY 15 H GLY 15 -9.235 1.270 -15.433 104 HA2 GLY 15 1HA GLY 15 -8.873 3.861 -15.837 105 HA3 GLY 15 2HA GLY 15 -8.336 3.241 -17.386 106 H GLY 16 H GLY 16 -10.086 4.151 -18.577 107 HA2 GLY 16 1HA GLY 16 -12.040 3.359 -19.687 108 HA3 GLY 16 2HA GLY 16 -12.645 2.740 -18.163 109 H GLY 17 H GLY 17 -13.087 4.402 -16.382 110 HA2 GLY 17 1HA GLY 17 -13.235 6.949 -16.218 111 HA3 GLY 17 2HA GLY 17 -14.265 6.801 -17.628 112 H GLY 18 H GLY 18 -15.212 7.916 -15.198 113 HA2 GLY 18 1HA GLY 18 -17.346 7.726 -14.291 114 HA3 GLY 18 2HA GLY 18 -17.333 5.997 -14.573 115 H GLY 19 H GLY 19 -15.663 8.570 -12.637 116 HA2 GLY 19 1HA GLY 19 -15.558 8.492 -10.296 117 HA3 GLY 19 2HA GLY 19 -15.715 6.747 -10.333 118 H GLY 20 H GLY 20 -13.816 6.516 -8.978 119 HA2 GLY 20 1HA GLY 20 -11.569 5.621 -9.769 120 HA3 GLY 20 2HA GLY 20 -11.278 7.272 -10.281 121 H SER 21 H SER 21 -9.661 5.908 -8.342 122 HA SER 21 HA SER 21 -10.213 6.083 -5.772 123 HG SER 21 HG SER 21 -8.011 7.780 -7.874 124 HB2 SER 21 1HB SER 21 -7.766 6.823 -5.455 125 HB3 SER 21 2HB SER 21 -8.035 5.369 -6.395 126 H ALA 22 H ALA 22 -11.609 7.681 -4.978 127 HA ALA 22 HA ALA 22 -10.563 10.424 -5.130 128 HB1 ALA 22 3HB ALA 22 -12.735 9.691 -6.497 129 HB2 ALA 22 1HB ALA 22 -13.511 9.903 -4.909 130 HB3 ALA 22 2HB ALA 22 -12.647 11.263 -5.667 131 H ALA 23 H ALA 23 -12.527 7.973 -3.347 132 HA ALA 23 HA ALA 23 -11.839 9.434 -0.888 133 HB1 ALA 23 3HB ALA 23 -14.222 7.621 -1.009 134 HB2 ALA 23 1HB ALA 23 -13.973 9.118 -0.079 135 HB3 ALA 23 2HB ALA 23 -14.343 9.202 -1.818 136 H GLU 24 H GLU 24 -10.543 7.169 -2.598 137 HA GLU 24 HA GLU 24 -10.841 4.869 -0.987 138 HE2 GLU 24 HE2 GLU 24 -7.717 3.550 -5.458 139 HB2 GLU 24 1HB GLU 24 -9.317 3.844 -2.474 140 HB3 GLU 24 2HB GLU 24 -10.136 5.025 -3.476 141 HG2 GLU 24 1HG GLU 24 -8.265 6.616 -3.208 142 HG3 GLU 24 2HG GLU 24 -7.465 5.535 -2.084 143 H ALA 25 H ALA 25 -8.786 7.748 -0.967 144 HA ALA 25 HA ALA 25 -6.640 6.763 0.506 145 HB1 ALA 25 3HB ALA 25 -7.496 9.201 -0.591 146 HB2 ALA 25 1HB ALA 25 -7.367 9.516 1.156 147 HB3 ALA 25 2HB ALA 25 -5.961 8.896 0.257 148 H TYR 26 H TYR 26 -9.913 7.878 1.447 149 HA TYR 26 HA TYR 26 -9.275 7.781 4.251 150 HD1 TYR 26 HD1 TYR 26 -13.149 8.168 1.476 151 HD2 TYR 26 HD2 TYR 26 -12.192 6.774 5.406 152 HE1 TYR 26 HE1 TYR 26 -15.327 6.857 1.550 153 HE2 TYR 26 HE2 TYR 26 -14.373 5.468 5.467 154 HH TYR 26 HH TYR 26 -16.686 5.700 2.792 155 HB2 TYR 26 1HB TYR 26 -11.227 9.047 4.220 156 HB3 TYR 26 2HB TYR 26 -11.198 8.910 2.473 157 H ALA 27 H ALA 27 -10.890 5.721 1.792 158 HA ALA 27 HA ALA 27 -11.823 3.864 3.766 159 HB1 ALA 27 3HB ALA 27 -12.037 4.320 0.858 160 HB2 ALA 27 1HB ALA 27 -11.956 2.601 1.312 161 HB3 ALA 27 2HB ALA 27 -13.224 3.645 2.000 162 H LYS 28 H LYS 28 -8.785 4.633 2.491 163 HA LYS 28 HA LYS 28 -7.821 1.927 2.303 164 HB2 LYS 28 1HB LYS 28 -6.577 3.101 0.840 165 HB3 LYS 28 2HB LYS 28 -6.858 4.628 1.651 166 HG2 LYS 28 1HG LYS 28 -5.212 3.944 3.441 167 HG3 LYS 28 2HG LYS 28 -4.894 2.468 2.552 168 HD2 LYS 28 1HD LYS 28 -3.623 3.536 0.960 169 HD3 LYS 28 2HD LYS 28 -4.676 4.936 0.906 170 HE2 LYS 28 1HE LYS 28 -3.601 5.994 2.722 171 HE3 LYS 28 2HE LYS 28 -3.000 4.487 3.384 172 HZ1 LYS 28 2HZ LYS 28 -1.188 4.559 2.035 173 HZ3 LYS 28 1HZ LYS 28 -1.512 6.149 1.891 174 H ARG 29 H ARG 29 -7.727 4.687 4.606 175 HA ARG 29 HA ARG 29 -6.019 3.246 6.358 176 HE ARG 29 HE ARG 29 -4.046 7.308 4.652 177 HB2 ARG 29 1HB ARG 29 -7.674 5.725 7.024 178 HB3 ARG 29 2HB ARG 29 -6.196 5.199 7.805 179 HG2 ARG 29 1HG ARG 29 -6.381 6.038 4.872 180 HG3 ARG 29 2HG ARG 29 -5.862 7.098 6.168 181 HD2 ARG 29 1HD ARG 29 -4.061 5.318 6.718 182 HD3 ARG 29 2HD ARG 29 -4.485 4.554 5.198 183 HH11 ARG 29 1HH1 ARG 29 -2.179 4.498 5.734 184 HH12 ARG 29 2HH1 ARG 29 -0.688 5.077 5.070 185 HH21 ARG 29 1HH2 ARG 29 -0.652 7.181 3.923 186 H ILE 30 H ILE 30 -9.516 4.092 6.111 187 HA ILE 30 HA ILE 30 -10.517 3.462 8.495 188 HB ILE 30 HB ILE 30 -11.534 2.693 5.764 189 HG12 ILE 30 1HG1 ILE 30 -11.181 5.175 6.900 190 HG13 ILE 30 2HG1 ILE 30 -12.272 4.792 5.582 191 HG21 ILE 30 1HG2 ILE 30 -12.613 1.220 7.335 192 HG22 ILE 30 2HG2 ILE 30 -12.974 2.579 8.427 193 HG23 ILE 30 3HG2 ILE 30 -13.763 2.483 6.834 194 HD11 ILE 30 3HD1 ILE 30 -13.401 6.016 7.461 195 HD12 ILE 30 1HD1 ILE 30 -14.128 4.421 7.147 196 HD13 ILE 30 2HD1 ILE 30 -13.036 4.644 8.535 197 H ALA 31 H ALA 31 -9.628 1.019 5.963 198 HA ALA 31 HA ALA 31 -10.332 -1.243 7.311 199 HB1 ALA 31 3HB ALA 31 -8.312 -0.491 5.245 200 HB2 ALA 31 1HB ALA 31 -8.098 -2.072 6.035 201 HB3 ALA 31 2HB ALA 31 -9.616 -1.700 5.182 202 H GLU 32 H GLU 32 -7.157 0.516 7.469 203 HA GLU 32 HA GLU 32 -5.873 -1.115 9.176 204 HE2 GLU 32 HE2 GLU 32 -1.580 0.235 8.384 205 HB2 GLU 32 1HB GLU 32 -5.824 1.936 9.213 206 HB3 GLU 32 2HB GLU 32 -4.585 0.897 9.889 207 HG2 GLU 32 1HG GLU 32 -4.849 -0.101 7.294 208 HG3 GLU 32 2HG GLU 32 -5.100 1.618 7.061 209 H ALA 33 H ALA 33 -7.980 1.699 10.118 210 HA ALA 33 HA ALA 33 -7.793 1.358 12.849 211 HB1 ALA 33 3HB ALA 33 -9.658 2.650 10.915 212 HB2 ALA 33 1HB ALA 33 -10.297 2.359 12.551 213 HB3 ALA 33 2HB ALA 33 -8.823 3.333 12.330 214 H MET 34 H MET 34 -10.111 -0.091 10.473 215 HA MET 34 HA MET 34 -11.596 -1.439 12.391 216 HB2 MET 34 1HB MET 34 -11.074 -1.811 9.406 217 HB3 MET 34 2HB MET 34 -12.110 -2.936 10.262 218 HG2 MET 34 1HG MET 34 -13.061 -0.429 11.104 219 HG3 MET 34 2HG MET 34 -12.660 -0.158 9.420 220 HE1 MET 34 3HE MET 34 -14.662 0.422 8.846 221 HE2 MET 34 1HE MET 34 -15.136 -0.794 7.636 222 HE3 MET 34 2HE MET 34 -16.216 -0.431 9.004 223 H ALA 35 H ALA 35 -8.361 -1.908 11.398 224 HA ALA 35 HA ALA 35 -8.459 -4.757 12.090 225 HB1 ALA 35 3HB ALA 35 -7.486 -4.251 9.902 226 HB2 ALA 35 1HB ALA 35 -6.363 -3.087 10.644 227 HB3 ALA 35 2HB ALA 35 -6.215 -4.822 11.009 228 H LYS 36 H LYS 36 -7.416 -5.514 13.912 229 HA LYS 36 HA LYS 36 -6.499 -3.470 15.743 230 HB2 LYS 36 1HB LYS 36 -8.104 -5.354 16.339 231 HB3 LYS 36 2HB LYS 36 -6.740 -6.448 16.230 232 HG2 LYS 36 1HG LYS 36 -6.164 -4.028 17.844 233 HG3 LYS 36 2HG LYS 36 -7.474 -4.993 18.495 234 HD2 LYS 36 1HD LYS 36 -5.902 -7.044 18.175 235 HD3 LYS 36 2HD LYS 36 -4.617 -5.879 17.927 236 HE2 LYS 36 1HE LYS 36 -6.012 -5.007 20.261 237 HE3 LYS 36 2HE LYS 36 -5.845 -6.744 20.428 238 HZ1 LYS 36 2HZ LYS 36 -3.768 -4.722 20.418 239 HZ3 LYS 36 1HZ LYS 36 -3.390 -6.065 19.579 240 H GLY 37 H GLY 37 -4.401 -3.369 16.655 241 HA2 GLY 37 1HA GLY 37 -2.344 -5.187 16.192 242 HA3 GLY 37 2HA GLY 37 -2.298 -4.023 14.883 Start of MODEL 8 1 HA ARG 1 HA ARG 1 1.749 5.275 -27.912 2 HE ARG 1 HE ARG 1 3.889 9.972 -29.614 3 H1 ARG 1 1H ARG 1 3.155 3.939 -30.054 4 HB2 ARG 1 1HB ARG 1 2.175 5.805 -30.859 5 HB3 ARG 1 2HB ARG 1 0.746 6.482 -30.104 6 HG2 ARG 1 1HG ARG 1 1.984 7.876 -28.670 7 HG3 ARG 1 2HG ARG 1 3.397 6.840 -28.704 8 HD2 ARG 1 1HD ARG 1 4.248 7.843 -30.589 9 HD3 ARG 1 2HD ARG 1 2.683 7.933 -31.371 10 HH11 ARG 1 1HH1 ARG 1 0.937 8.842 -31.215 11 HH12 ARG 1 2HH1 ARG 1 0.150 10.382 -31.124 12 HH21 ARG 1 1HH2 ARG 1 1.294 12.227 -30.109 13 H GLY 2 H GLY 2 -0.425 4.858 -27.460 14 HA2 GLY 2 1HA GLY 2 -2.612 4.288 -28.174 15 HA3 GLY 2 2HA GLY 2 -1.937 3.241 -29.406 16 H LYS 3 H LYS 3 -3.694 1.839 -28.173 17 HA LYS 3 HA LYS 3 -3.245 0.870 -25.640 18 HB2 LYS 3 1HB LYS 3 -4.702 -0.042 -28.065 19 HB3 LYS 3 2HB LYS 3 -4.361 -1.271 -26.864 20 HG2 LYS 3 1HG LYS 3 -5.891 -0.420 -25.404 21 HG3 LYS 3 2HG LYS 3 -5.291 1.215 -25.602 22 HD2 LYS 3 1HD LYS 3 -6.950 -0.070 -27.796 23 HD3 LYS 3 2HD LYS 3 -7.739 0.629 -26.396 24 HE2 LYS 3 1HE LYS 3 -5.680 2.429 -27.489 25 HE3 LYS 3 2HE LYS 3 -6.881 2.014 -28.696 26 HZ1 LYS 3 2HZ LYS 3 -7.630 3.920 -27.436 27 HZ3 LYS 3 1HZ LYS 3 -7.456 3.149 -26.012 28 H TRP 4 H TRP 4 -1.513 -0.107 -24.757 29 HA TRP 4 HA TRP 4 0.631 -1.025 -26.304 30 HD1 TRP 4 HD1 TRP 4 2.568 0.155 -22.544 31 HE1 TRP 4 HE1 TRP 4 5.081 0.101 -23.348 32 HE3 TRP 4 HE3 TRP 4 1.725 -2.641 -26.707 33 HZ2 TRP 4 HZ2 TRP 4 6.404 -1.079 -25.584 34 HZ3 TRP 4 HZ3 TRP 4 3.682 -3.200 -28.146 35 HH2 TRP 4 HH2 TRP 4 5.959 -2.467 -27.642 36 HB2 TRP 4 1HB TRP 4 0.177 -0.410 -23.654 37 HB3 TRP 4 2HB TRP 4 0.428 -2.144 -23.607 38 H THR 5 H THR 5 -0.390 -2.453 -27.891 39 HA THR 5 HA THR 5 -1.156 -5.051 -26.728 40 HB THR 5 HB THR 5 -2.362 -5.153 -29.103 41 HG1 THR 5 HG1 THR 5 -2.152 -3.185 -30.089 42 HG21 THR 5 3HG2 THR 5 -3.575 -4.959 -26.871 43 HG22 THR 5 1HG2 THR 5 -3.394 -3.192 -26.989 44 HG23 THR 5 2HG2 THR 5 -4.370 -4.069 -28.191 45 H TYR 6 H TYR 6 0.163 -6.715 -27.100 46 HA TYR 6 HA TYR 6 1.963 -6.468 -29.416 47 HD1 TYR 6 HD1 TYR 6 4.224 -7.685 -29.681 48 HD2 TYR 6 HD2 TYR 6 3.387 -9.135 -25.744 49 HE1 TYR 6 HE1 TYR 6 5.817 -9.631 -30.052 50 HE2 TYR 6 HE2 TYR 6 4.983 -11.076 -26.128 51 HH TYR 6 HH TYR 6 5.794 -12.312 -28.418 52 HB2 TYR 6 1HB TYR 6 3.328 -6.202 -27.445 53 HB3 TYR 6 2HB TYR 6 2.291 -7.238 -26.484 54 H ASN 7 H ASN 7 0.745 -8.875 -26.969 55 HA ASN 7 HA ASN 7 0.914 -10.901 -28.984 56 HB2 ASN 7 1HB ASN 7 1.098 -10.861 -26.176 57 HB3 ASN 7 2HB ASN 7 -0.466 -11.602 -26.453 58 HD21 ASN 7 2HD2 ASN 7 3.056 -13.496 -27.382 59 HD22 ASN 7 1HD2 ASN 7 2.972 -11.838 -26.886 60 H GLY 8 H GLY 8 -1.586 -9.403 -26.795 61 HA2 GLY 8 1HA GLY 8 -3.587 -9.282 -28.768 62 HA3 GLY 8 2HA GLY 8 -3.819 -10.741 -27.825 63 H ILE 9 H ILE 9 -2.715 -9.709 -25.299 64 HA ILE 9 HA ILE 9 -5.023 -8.109 -24.538 65 HB ILE 9 HB ILE 9 -4.469 -8.738 -22.279 66 HG12 ILE 9 1HG1 ILE 9 -2.377 -10.667 -22.747 67 HG13 ILE 9 2HG1 ILE 9 -1.850 -9.090 -23.299 68 HG21 ILE 9 1HG2 ILE 9 -4.263 -11.410 -22.972 69 HG22 ILE 9 2HG2 ILE 9 -5.765 -10.466 -22.827 70 HG23 ILE 9 3HG2 ILE 9 -4.985 -10.659 -24.415 71 HD11 ILE 9 3HD1 ILE 9 -1.802 -8.214 -21.182 72 HD12 ILE 9 1HD1 ILE 9 -3.292 -9.057 -20.695 73 HD13 ILE 9 2HD1 ILE 9 -1.737 -9.922 -20.684 74 H THR 10 H THR 10 -4.871 -6.068 -23.544 75 HA THR 10 HA THR 10 -2.612 -4.536 -24.363 76 HB THR 10 HB THR 10 -4.005 -2.797 -22.922 77 HG1 THR 10 HG1 THR 10 -6.121 -3.691 -22.477 78 HG21 THR 10 3HG2 THR 10 -5.937 -2.916 -24.677 79 HG22 THR 10 1HG2 THR 10 -4.296 -2.625 -25.301 80 HG23 THR 10 2HG2 THR 10 -5.013 -4.251 -25.407 81 H TYR 11 H TYR 11 -0.957 -3.605 -23.184 82 HA TYR 11 HA TYR 11 -0.600 -4.808 -20.527 83 HD1 TYR 11 HD1 TYR 11 -0.665 -6.424 -21.717 84 HD2 TYR 11 HD2 TYR 11 3.402 -5.520 -22.689 85 HE1 TYR 11 HE1 TYR 11 -0.231 -8.879 -22.213 86 HE2 TYR 11 HE2 TYR 11 3.823 -7.978 -23.182 87 HH TYR 11 HH TYR 11 1.275 -10.214 -23.497 88 HB2 TYR 11 1HB TYR 11 1.186 -3.784 -22.802 89 HB3 TYR 11 2HB TYR 11 1.856 -3.991 -21.196 90 H GLU 12 H GLU 12 -1.839 -2.063 -21.795 91 HA GLU 12 HA GLU 12 -0.503 0.079 -21.066 92 HE2 GLU 12 HE2 GLU 12 -4.814 1.733 -23.003 93 HB2 GLU 12 1HB GLU 12 -3.358 -0.666 -21.096 94 HB3 GLU 12 2HB GLU 12 -3.020 0.655 -19.996 95 HG2 GLU 12 1HG GLU 12 -1.515 1.409 -22.186 96 HG3 GLU 12 2HG GLU 12 -2.839 0.572 -22.971 97 H GLY 13 H GLY 13 -0.273 1.434 -19.135 98 HA2 GLY 13 1HA GLY 13 -1.080 0.584 -16.568 99 HA3 GLY 13 2HA GLY 13 0.560 0.041 -16.865 100 H GLY 14 H GLY 14 -1.288 2.575 -15.647 101 HA2 GLY 14 1HA GLY 14 0.785 4.588 -16.268 102 HA3 GLY 14 2HA GLY 14 -0.885 4.935 -15.870 103 H GLY 15 H GLY 15 -1.621 3.875 -13.632 104 HA2 GLY 15 1HA GLY 15 -0.705 3.147 -11.478 105 HA3 GLY 15 2HA GLY 15 0.564 4.337 -11.688 106 H GLY 16 H GLY 16 0.080 6.623 -11.509 107 HA2 GLY 16 1HA GLY 16 -1.504 7.435 -9.489 108 HA3 GLY 16 2HA GLY 16 -1.098 8.444 -10.863 109 H GLY 17 H GLY 17 -2.509 8.090 -12.915 110 HA2 GLY 17 1HA GLY 17 -5.215 8.507 -12.211 111 HA3 GLY 17 2HA GLY 17 -4.555 8.322 -13.824 112 H GLY 18 H GLY 18 -6.711 6.996 -11.648 113 HA2 GLY 18 1HA GLY 18 -8.022 5.142 -12.367 114 HA3 GLY 18 2HA GLY 18 -6.578 4.376 -13.000 115 H GLY 19 H GLY 19 -8.780 4.119 -10.572 116 HA2 GLY 19 1HA GLY 19 -7.619 2.194 -9.099 117 HA3 GLY 19 2HA GLY 19 -6.989 3.646 -8.346 118 H GLY 20 H GLY 20 -8.419 2.304 -6.608 119 HA2 GLY 20 1HA GLY 20 -10.779 3.921 -6.216 120 HA3 GLY 20 2HA GLY 20 -11.120 2.231 -6.535 121 H SER 21 H SER 21 -9.766 4.566 -4.252 122 HA SER 21 HA SER 21 -9.484 2.370 -2.351 123 HG SER 21 HG SER 21 -7.159 3.404 -3.957 124 HB2 SER 21 1HB SER 21 -7.949 5.005 -2.458 125 HB3 SER 21 2HB SER 21 -7.809 3.829 -1.165 126 H ALA 22 H ALA 22 -11.972 3.714 -2.959 127 HA ALA 22 HA ALA 22 -12.314 5.602 -0.764 128 HB1 ALA 22 3HB ALA 22 -14.549 5.946 -1.839 129 HB2 ALA 22 1HB ALA 22 -13.188 6.259 -2.941 130 HB3 ALA 22 2HB ALA 22 -14.105 4.739 -3.070 131 H ALA 23 H ALA 23 -12.574 4.605 1.188 132 HA ALA 23 HA ALA 23 -13.616 3.437 2.766 133 HB1 ALA 23 3HB ALA 23 -15.500 2.265 0.702 134 HB2 ALA 23 1HB ALA 23 -15.792 2.564 2.432 135 HB3 ALA 23 2HB ALA 23 -15.684 3.932 1.298 136 H GLU 24 H GLU 24 -11.361 2.515 1.030 137 HA GLU 24 HA GLU 24 -11.822 -0.339 1.002 138 HE2 GLU 24 HE2 GLU 24 -6.168 1.592 -1.545 139 HB2 GLU 24 1HB GLU 24 -9.998 -0.504 -0.465 140 HB3 GLU 24 2HB GLU 24 -10.683 1.049 -0.899 141 HG2 GLU 24 1HG GLU 24 -9.028 2.211 0.548 142 HG3 GLU 24 2HG GLU 24 -8.368 0.670 1.059 143 H ALA 25 H ALA 25 -9.771 2.189 2.540 144 HA ALA 25 HA ALA 25 -8.819 0.120 4.402 145 HB1 ALA 25 3HB ALA 25 -6.841 0.879 3.522 146 HB2 ALA 25 1HB ALA 25 -7.525 2.456 3.060 147 HB3 ALA 25 2HB ALA 25 -7.067 2.145 4.752 148 H TYR 26 H TYR 26 -9.776 3.607 4.076 149 HA TYR 26 HA TYR 26 -9.894 4.222 6.750 150 HD1 TYR 26 HD1 TYR 26 -12.768 5.638 7.259 151 HD2 TYR 26 HD2 TYR 26 -12.651 5.309 2.995 152 HE1 TYR 26 HE1 TYR 26 -15.290 5.942 7.159 153 HE2 TYR 26 HE2 TYR 26 -15.174 5.615 2.910 154 HH TYR 26 HH TYR 26 -17.100 5.504 5.767 155 HB2 TYR 26 1HB TYR 26 -10.603 6.148 5.661 156 HB3 TYR 26 2HB TYR 26 -10.660 5.228 4.170 157 H ALA 27 H ALA 27 -12.439 2.738 4.644 158 HA ALA 27 HA ALA 27 -14.378 2.691 6.703 159 HB1 ALA 27 3HB ALA 27 -15.516 1.101 5.088 160 HB2 ALA 27 1HB ALA 27 -15.060 2.675 4.393 161 HB3 ALA 27 2HB ALA 27 -14.075 1.232 4.052 162 H LYS 28 H LYS 28 -11.500 0.882 6.098 163 HA LYS 28 HA LYS 28 -12.476 -1.525 7.353 164 HB2 LYS 28 1HB LYS 28 -10.931 -2.226 5.872 165 HB3 LYS 28 2HB LYS 28 -10.104 -0.681 5.830 166 HG2 LYS 28 1HG LYS 28 -9.028 -1.185 8.026 167 HG3 LYS 28 2HG LYS 28 -9.873 -2.719 8.096 168 HD2 LYS 28 1HD LYS 28 -8.654 -2.780 5.568 169 HD3 LYS 28 2HD LYS 28 -7.457 -1.979 6.567 170 HE2 LYS 28 1HE LYS 28 -8.233 -4.036 8.242 171 HE3 LYS 28 2HE LYS 28 -8.437 -4.794 6.675 172 HZ1 LYS 28 2HZ LYS 28 -6.149 -5.001 7.616 173 HZ3 LYS 28 1HZ LYS 28 -5.944 -3.392 7.473 174 H ARG 29 H ARG 29 -10.140 1.148 8.092 175 HA ARG 29 HA ARG 29 -9.556 0.177 10.625 176 HE ARG 29 HE ARG 29 -7.665 4.173 7.892 177 HB2 ARG 29 1HB ARG 29 -9.474 3.118 9.820 178 HB3 ARG 29 2HB ARG 29 -8.439 2.300 10.973 179 HG2 ARG 29 1HG ARG 29 -7.734 0.798 8.922 180 HG3 ARG 29 2HG ARG 29 -8.427 2.078 7.946 181 HD2 ARG 29 1HD ARG 29 -6.444 2.775 10.135 182 HD3 ARG 29 2HD ARG 29 -5.859 2.166 8.599 183 HH11 ARG 29 1HH1 ARG 29 -4.746 4.031 9.896 184 HH12 ARG 29 2HH1 ARG 29 -4.310 5.680 9.597 185 HH21 ARG 29 1HH2 ARG 29 -5.703 7.024 8.183 186 H ILE 30 H ILE 30 -11.997 2.510 9.361 187 HA ILE 30 HA ILE 30 -12.928 3.746 11.520 188 HB ILE 30 HB ILE 30 -14.412 2.442 9.254 189 HG12 ILE 30 1HG1 ILE 30 -12.781 4.663 9.359 190 HG13 ILE 30 2HG1 ILE 30 -13.965 4.308 8.117 191 HG21 ILE 30 1HG2 ILE 30 -16.110 2.502 10.853 192 HG22 ILE 30 2HG2 ILE 30 -15.524 4.025 11.564 193 HG23 ILE 30 3HG2 ILE 30 -16.306 4.031 9.964 194 HD11 ILE 30 3HD1 ILE 30 -15.620 5.702 9.112 195 HD12 ILE 30 1HD1 ILE 30 -14.774 5.731 10.677 196 HD13 ILE 30 2HD1 ILE 30 -14.108 6.623 9.289 197 H ALA 31 H ALA 31 -13.899 0.367 10.601 198 HA ALA 31 HA ALA 31 -15.533 -0.176 12.706 199 HB1 ALA 31 3HB ALA 31 -13.595 -1.844 11.088 200 HB2 ALA 31 1HB ALA 31 -14.578 -2.578 12.378 201 HB3 ALA 31 2HB ALA 31 -15.372 -1.784 10.996 202 H GLU 32 H GLU 32 -11.928 -0.614 12.571 203 HA GLU 32 HA GLU 32 -11.573 -1.612 15.053 204 HE2 GLU 32 HE2 GLU 32 -8.601 -4.035 13.848 205 HB2 GLU 32 1HB GLU 32 -9.778 0.418 13.652 206 HB3 GLU 32 2HB GLU 32 -9.278 -0.671 14.931 207 HG2 GLU 32 1HG GLU 32 -10.444 -2.427 13.118 208 HG3 GLU 32 2HG GLU 32 -9.743 -1.228 12.050 209 H ALA 33 H ALA 33 -11.521 1.907 14.128 210 HA ALA 33 HA ALA 33 -11.138 2.946 16.638 211 HB1 ALA 33 3HB ALA 33 -11.053 4.244 14.558 212 HB2 ALA 33 1HB ALA 33 -12.803 4.018 14.323 213 HB3 ALA 33 2HB ALA 33 -12.206 4.982 15.695 214 H MET 34 H MET 34 -14.292 2.266 14.961 215 HA MET 34 HA MET 34 -15.843 3.000 17.135 216 HB2 MET 34 1HB MET 34 -16.363 1.010 14.856 217 HB3 MET 34 2HB MET 34 -17.619 1.632 15.907 218 HG2 MET 34 1HG MET 34 -15.872 3.689 14.597 219 HG3 MET 34 2HG MET 34 -16.939 2.798 13.529 220 HE1 MET 34 3HE MET 34 -17.997 5.957 16.593 221 HE2 MET 34 1HE MET 34 -16.542 4.932 16.639 222 HE3 MET 34 2HE MET 34 -16.802 6.046 15.276 223 H ALA 35 H ALA 35 -13.736 0.331 16.758 224 HA ALA 35 HA ALA 35 -15.302 -1.480 18.378 225 HB1 ALA 35 3HB ALA 35 -12.453 -2.083 17.893 226 HB2 ALA 35 1HB ALA 35 -13.903 -3.055 17.543 227 HB3 ALA 35 2HB ALA 35 -13.388 -1.783 16.408 228 H LYS 36 H LYS 36 -12.055 0.150 18.621 229 HA LYS 36 HA LYS 36 -12.585 0.516 21.463 230 HB2 LYS 36 1HB LYS 36 -11.050 -1.613 20.622 231 HB3 LYS 36 2HB LYS 36 -9.838 -0.380 20.904 232 HG2 LYS 36 1HG LYS 36 -12.015 -0.789 22.967 233 HG3 LYS 36 2HG LYS 36 -10.685 -1.929 22.901 234 HD2 LYS 36 1HD LYS 36 -10.151 1.062 22.971 235 HD3 LYS 36 2HD LYS 36 -10.469 0.181 24.452 236 HE2 LYS 36 1HE LYS 36 -8.579 -1.425 23.107 237 HE3 LYS 36 2HE LYS 36 -8.040 0.211 22.787 238 HZ1 LYS 36 2HZ LYS 36 -7.345 -0.973 24.991 239 HZ3 LYS 36 1HZ LYS 36 -8.802 -0.495 25.539 240 H GLY 37 H GLY 37 -12.247 2.611 21.959 241 HA2 GLY 37 1HA GLY 37 -10.157 4.053 20.453 242 HA3 GLY 37 2HA GLY 37 -11.773 4.714 20.609 Start of MODEL 9 1 HA ARG 1 HA ARG 1 4.586 4.721 -18.912 2 HE ARG 1 HE ARG 1 8.116 5.185 -19.622 3 H1 ARG 1 1H ARG 1 7.067 5.623 -18.073 4 HB2 ARG 1 1HB ARG 1 7.260 3.477 -18.296 5 HB3 ARG 1 2HB ARG 1 5.893 2.386 -18.404 6 HG2 ARG 1 1HG ARG 1 5.785 2.582 -20.671 7 HG3 ARG 1 2HG ARG 1 5.855 4.331 -20.602 8 HD2 ARG 1 1HD ARG 1 8.313 2.550 -20.253 9 HD3 ARG 1 2HD ARG 1 7.820 3.210 -21.800 10 HH11 ARG 1 1HH1 ARG 1 9.629 3.606 -22.409 11 HH12 ARG 1 2HH1 ARG 1 10.817 4.848 -22.625 12 HH21 ARG 1 1HH2 ARG 1 10.830 6.730 -21.142 13 H GLY 2 H GLY 2 2.895 4.817 -17.400 14 HA2 GLY 2 1HA GLY 2 3.343 3.386 -14.848 15 HA3 GLY 2 2HA GLY 2 2.308 4.788 -15.028 16 H LYS 3 H LYS 3 2.612 1.312 -15.457 17 HA LYS 3 HA LYS 3 -0.249 1.192 -15.952 18 HB2 LYS 3 1HB LYS 3 1.834 -0.039 -17.772 19 HB3 LYS 3 2HB LYS 3 0.168 -0.579 -17.723 20 HG2 LYS 3 1HG LYS 3 -0.190 1.037 -19.300 21 HG3 LYS 3 2HG LYS 3 -0.196 2.143 -17.941 22 HD2 LYS 3 1HD LYS 3 1.461 3.195 -19.140 23 HD3 LYS 3 2HD LYS 3 2.490 2.013 -18.356 24 HE2 LYS 3 1HE LYS 3 2.843 0.829 -20.298 25 HE3 LYS 3 2HE LYS 3 1.186 1.016 -20.838 26 HZ1 LYS 3 2HZ LYS 3 1.753 3.359 -21.412 27 HZ3 LYS 3 1HZ LYS 3 2.631 2.289 -22.269 28 H TRP 4 H TRP 4 -1.232 -0.595 -14.984 29 HA TRP 4 HA TRP 4 0.535 -2.601 -13.822 30 HD1 TRP 4 HD1 TRP 4 -0.639 1.368 -12.329 31 HE1 TRP 4 HE1 TRP 4 -2.990 2.461 -11.838 32 HE3 TRP 4 HE3 TRP 4 -3.134 -3.018 -11.704 33 HZ2 TRP 4 HZ2 TRP 4 -5.572 1.392 -11.256 34 HZ3 TRP 4 HZ3 TRP 4 -5.567 -2.905 -11.176 35 HH2 TRP 4 HH2 TRP 4 -6.785 -0.797 -10.950 36 HB2 TRP 4 1HB TRP 4 -0.653 -2.390 -11.640 37 HB3 TRP 4 2HB TRP 4 0.448 -1.082 -12.026 38 H THR 5 H THR 5 -0.302 -4.527 -14.494 39 HA THR 5 HA THR 5 -2.990 -4.632 -15.504 40 HB THR 5 HB THR 5 -0.778 -6.722 -15.141 41 HG1 THR 5 HG1 THR 5 -0.188 -5.164 -16.699 42 HG21 THR 5 3HG2 THR 5 -3.528 -7.117 -15.800 43 HG22 THR 5 1HG2 THR 5 -2.647 -7.133 -17.347 44 HG23 THR 5 2HG2 THR 5 -2.193 -8.267 -16.052 45 H TYR 6 H TYR 6 -4.711 -5.949 -14.758 46 HA TYR 6 HA TYR 6 -4.443 -6.666 -11.916 47 HD1 TYR 6 HD1 TYR 6 -8.719 -5.864 -13.659 48 HD2 TYR 6 HD2 TYR 6 -6.439 -6.588 -10.112 49 HE1 TYR 6 HE1 TYR 6 -10.770 -6.861 -12.535 50 HE2 TYR 6 HE2 TYR 6 -8.498 -7.582 -9.000 51 HH TYR 6 HH TYR 6 -11.283 -8.397 -10.766 52 HB2 TYR 6 1HB TYR 6 -5.876 -4.724 -12.030 53 HB3 TYR 6 2HB TYR 6 -6.509 -5.180 -13.599 54 H ASN 7 H ASN 7 -6.510 -7.156 -14.872 55 HA ASN 7 HA ASN 7 -6.609 -9.961 -14.081 56 HB2 ASN 7 1HB ASN 7 -8.800 -8.414 -13.972 57 HB3 ASN 7 2HB ASN 7 -8.828 -8.676 -15.704 58 HD21 ASN 7 2HD2 ASN 7 -9.932 -11.564 -13.048 59 HD22 ASN 7 1HD2 ASN 7 -9.376 -9.988 -12.593 60 H GLY 8 H GLY 8 -4.541 -9.081 -15.712 61 HA2 GLY 8 1HA GLY 8 -3.600 -9.872 -17.647 62 HA3 GLY 8 2HA GLY 8 -5.179 -10.337 -18.249 63 H ILE 9 H ILE 9 -6.641 -7.924 -18.013 64 HA ILE 9 HA ILE 9 -5.845 -6.608 -20.338 65 HB ILE 9 HB ILE 9 -8.097 -6.762 -18.808 66 HG12 ILE 9 1HG1 ILE 9 -8.324 -6.505 -21.108 67 HG13 ILE 9 2HG1 ILE 9 -8.978 -5.009 -20.471 68 HG21 ILE 9 1HG2 ILE 9 -6.975 -3.967 -18.494 69 HG22 ILE 9 2HG2 ILE 9 -8.680 -4.406 -18.235 70 HG23 ILE 9 3HG2 ILE 9 -7.413 -5.114 -17.206 71 HD11 ILE 9 3HD1 ILE 9 -7.563 -4.195 -22.144 72 HD12 ILE 9 1HD1 ILE 9 -6.475 -4.140 -20.736 73 HD13 ILE 9 2HD1 ILE 9 -6.361 -5.484 -21.897 74 H THR 10 H THR 10 -4.636 -4.779 -20.750 75 HA THR 10 HA THR 10 -2.934 -3.914 -18.572 76 HB THR 10 HB THR 10 -2.888 -2.834 -21.407 77 HG1 THR 10 HG1 THR 10 -2.735 -4.955 -22.018 78 HG21 THR 10 3HG2 THR 10 -0.385 -3.393 -20.989 79 HG22 THR 10 1HG2 THR 10 -1.057 -2.040 -20.048 80 HG23 THR 10 2HG2 THR 10 -0.842 -3.634 -19.286 81 H TYR 11 H TYR 11 -3.161 -2.134 -17.365 82 HA TYR 11 HA TYR 11 -5.373 -0.365 -18.069 83 HD1 TYR 11 HD1 TYR 11 -6.308 -2.032 -17.496 84 HD2 TYR 11 HD2 TYR 11 -5.562 -0.634 -13.522 85 HE1 TYR 11 HE1 TYR 11 -8.430 -3.175 -16.688 86 HE2 TYR 11 HE2 TYR 11 -7.687 -1.782 -12.727 87 HH TYR 11 HH TYR 11 -9.902 -2.456 -13.870 88 HB2 TYR 11 1HB TYR 11 -3.674 -1.121 -15.648 89 HB3 TYR 11 2HB TYR 11 -4.496 0.426 -15.616 90 H GLU 12 H GLU 12 -4.926 1.452 -19.205 91 HA GLU 12 HA GLU 12 -2.274 2.594 -18.800 92 HE2 GLU 12 HE2 GLU 12 -4.173 4.339 -24.211 93 HB2 GLU 12 1HB GLU 12 -2.576 3.636 -21.046 94 HB3 GLU 12 2HB GLU 12 -2.640 1.886 -21.110 95 HG2 GLU 12 1HG GLU 12 -4.784 1.895 -21.876 96 HG3 GLU 12 2HG GLU 12 -5.307 3.001 -20.621 97 H GLY 13 H GLY 13 -2.068 4.789 -18.236 98 HA2 GLY 13 1HA GLY 13 -2.718 6.889 -17.678 99 HA3 GLY 13 2HA GLY 13 -4.321 6.567 -18.310 100 H GLY 14 H GLY 14 -4.556 7.971 -16.130 101 HA2 GLY 14 1HA GLY 14 -5.387 8.049 -14.045 102 HA3 GLY 14 2HA GLY 14 -5.940 6.406 -14.295 103 H GLY 15 H GLY 15 -3.234 8.439 -13.130 104 HA2 GLY 15 1HA GLY 15 -1.945 6.068 -11.957 105 HA3 GLY 15 2HA GLY 15 -1.220 7.644 -12.200 106 H GLY 16 H GLY 16 -2.000 9.495 -10.852 107 HA2 GLY 16 1HA GLY 16 -2.785 8.524 -8.184 108 HA3 GLY 16 2HA GLY 16 -1.900 9.993 -8.543 109 H GLY 17 H GLY 17 -4.935 8.734 -7.732 110 HA2 GLY 17 1HA GLY 17 -6.728 10.137 -7.193 111 HA3 GLY 17 2HA GLY 17 -6.218 11.284 -8.414 112 H GLY 18 H GLY 18 -8.682 11.045 -8.866 113 HA2 GLY 18 1HA GLY 18 -9.049 9.733 -11.295 114 HA3 GLY 18 2HA GLY 18 -9.670 8.674 -10.045 115 H GLY 19 H GLY 19 -11.723 9.019 -9.268 116 HA2 GLY 19 1HA GLY 19 -12.916 11.481 -8.813 117 HA3 GLY 19 2HA GLY 19 -13.341 11.025 -10.451 118 H GLY 20 H GLY 20 -15.082 11.236 -8.030 119 HA2 GLY 20 1HA GLY 20 -16.795 10.130 -7.089 120 HA3 GLY 20 2HA GLY 20 -16.711 9.015 -8.439 121 H SER 21 H SER 21 -17.483 7.745 -6.273 122 HA SER 21 HA SER 21 -15.182 6.880 -4.778 123 HG SER 21 HG SER 21 -18.716 7.501 -4.742 124 HB2 SER 21 1HB SER 21 -17.770 5.499 -4.326 125 HB3 SER 21 2HB SER 21 -16.672 6.222 -3.167 126 H ALA 22 H ALA 22 -15.079 6.260 -7.573 127 HA ALA 22 HA ALA 22 -15.992 3.556 -7.917 128 HB1 ALA 22 3HB ALA 22 -14.977 5.760 -9.541 129 HB2 ALA 22 1HB ALA 22 -14.193 4.220 -9.967 130 HB3 ALA 22 2HB ALA 22 -15.966 4.360 -10.020 131 H ALA 23 H ALA 23 -13.215 5.209 -6.605 132 HA ALA 23 HA ALA 23 -11.694 2.696 -6.740 133 HB1 ALA 23 3HB ALA 23 -9.688 4.065 -6.582 134 HB2 ALA 23 1HB ALA 23 -10.695 4.670 -7.920 135 HB3 ALA 23 2HB ALA 23 -10.665 5.537 -6.365 136 H GLU 24 H GLU 24 -13.914 3.771 -4.847 137 HA GLU 24 HA GLU 24 -12.446 4.162 -2.426 138 HE2 GLU 24 HE2 GLU 24 -18.122 3.631 -3.643 139 HB2 GLU 24 1HB GLU 24 -14.516 4.692 -1.441 140 HB3 GLU 24 2HB GLU 24 -14.730 5.220 -3.098 141 HG2 GLU 24 1HG GLU 24 -15.895 3.098 -3.654 142 HG3 GLU 24 2HG GLU 24 -15.623 2.500 -2.030 143 H ALA 25 H ALA 25 -14.089 1.543 -4.176 144 HA ALA 25 HA ALA 25 -14.485 -0.235 -2.088 145 HB1 ALA 25 3HB ALA 25 -14.046 -1.908 -4.120 146 HB2 ALA 25 1HB ALA 25 -15.498 -0.881 -4.062 147 HB3 ALA 25 2HB ALA 25 -14.107 -0.399 -5.062 148 H TYR 26 H TYR 26 -11.554 0.675 -3.918 149 HA TYR 26 HA TYR 26 -10.019 -1.478 -2.774 150 HD1 TYR 26 HD1 TYR 26 -9.247 2.512 -5.291 151 HD2 TYR 26 HD2 TYR 26 -7.096 0.015 -2.563 152 HE1 TYR 26 HE1 TYR 26 -7.591 4.394 -4.862 153 HE2 TYR 26 HE2 TYR 26 -5.447 1.904 -2.144 154 HH TYR 26 HH TYR 26 -4.766 4.106 -3.835 155 HB2 TYR 26 1HB TYR 26 -8.718 -0.842 -4.595 156 HB3 TYR 26 2HB TYR 26 -9.960 0.333 -4.981 157 H ALA 27 H ALA 27 -10.493 2.056 -2.287 158 HA ALA 27 HA ALA 27 -8.387 2.210 -0.356 159 HB1 ALA 27 3HB ALA 27 -10.372 4.009 -1.651 160 HB2 ALA 27 1HB ALA 27 -9.863 4.473 -0.009 161 HB3 ALA 27 2HB ALA 27 -8.648 4.274 -1.295 162 H LYS 28 H LYS 28 -11.479 0.830 -0.363 163 HA LYS 28 HA LYS 28 -12.180 1.613 2.318 164 HB2 LYS 28 1HB LYS 28 -14.144 1.275 1.273 165 HB3 LYS 28 2HB LYS 28 -13.448 0.221 0.060 166 HG2 LYS 28 1HG LYS 28 -13.344 -1.631 1.776 167 HG3 LYS 28 2HG LYS 28 -14.126 -0.571 2.932 168 HD2 LYS 28 1HD LYS 28 -15.811 -0.380 0.712 169 HD3 LYS 28 2HD LYS 28 -15.294 -2.053 0.647 170 HE2 LYS 28 1HE LYS 28 -17.209 -2.126 2.045 171 HE3 LYS 28 2HE LYS 28 -15.877 -2.160 3.183 172 HZ1 LYS 28 2HZ LYS 28 -17.110 0.410 2.394 173 HZ3 LYS 28 1HZ LYS 28 -16.220 0.095 3.721 174 H ARG 29 H ARG 29 -10.796 -1.224 0.588 175 HA ARG 29 HA ARG 29 -10.726 -2.737 2.985 176 HE ARG 29 HE ARG 29 -13.579 -4.621 -0.399 177 HB2 ARG 29 1HB ARG 29 -9.179 -3.297 0.413 178 HB3 ARG 29 2HB ARG 29 -9.675 -4.462 1.624 179 HG2 ARG 29 1HG ARG 29 -11.580 -2.835 -0.126 180 HG3 ARG 29 2HG ARG 29 -11.148 -4.511 -0.401 181 HD2 ARG 29 1HD ARG 29 -12.095 -5.111 1.851 182 HD3 ARG 29 2HD ARG 29 -12.555 -3.437 2.093 183 HH11 ARG 29 1HH1 ARG 29 -14.228 -4.002 3.028 184 HH12 ARG 29 2HH1 ARG 29 -15.945 -4.157 2.859 185 HH21 ARG 29 1HH2 ARG 29 -16.873 -4.642 0.703 186 H ILE 30 H ILE 30 -8.426 -0.840 0.957 187 HA ILE 30 HA ILE 30 -6.023 -1.501 1.888 188 HB ILE 30 HB ILE 30 -7.165 1.245 1.400 189 HG12 ILE 30 1HG1 ILE 30 -6.713 -0.841 -0.342 190 HG13 ILE 30 2HG1 ILE 30 -6.847 0.852 -0.773 191 HG21 ILE 30 1HG2 ILE 30 -5.241 1.548 2.820 192 HG22 ILE 30 2HG2 ILE 30 -4.273 0.443 1.815 193 HG23 ILE 30 3HG2 ILE 30 -4.816 2.003 1.153 194 HD11 ILE 30 3HD1 ILE 30 -4.769 -0.229 -1.679 195 HD12 ILE 30 1HD1 ILE 30 -4.416 1.150 -0.611 196 HD13 ILE 30 2HD1 ILE 30 -4.226 -0.514 -0.008 197 H ALA 31 H ALA 31 -8.127 0.954 3.558 198 HA ALA 31 HA ALA 31 -6.649 1.448 5.736 199 HB1 ALA 31 3HB ALA 31 -8.544 2.538 6.244 200 HB2 ALA 31 1HB ALA 31 -9.386 1.648 4.953 201 HB3 ALA 31 2HB ALA 31 -9.355 0.996 6.609 202 H GLU 32 H GLU 32 -8.959 -1.344 5.421 203 HA GLU 32 HA GLU 32 -8.578 -2.473 7.818 204 HE2 GLU 32 HE2 GLU 32 -12.084 -5.418 4.874 205 HB2 GLU 32 1HB GLU 32 -8.747 -4.000 5.183 206 HB3 GLU 32 2HB GLU 32 -9.186 -4.621 6.761 207 HG2 GLU 32 1HG GLU 32 -10.696 -2.312 6.686 208 HG3 GLU 32 2HG GLU 32 -10.669 -2.736 4.985 209 H ALA 33 H ALA 33 -6.608 -3.204 4.845 210 HA ALA 33 HA ALA 33 -4.817 -4.918 6.065 211 HB1 ALA 33 3HB ALA 33 -3.348 -3.654 4.099 212 HB2 ALA 33 1HB ALA 33 -4.474 -5.006 3.828 213 HB3 ALA 33 2HB ALA 33 -5.021 -3.329 3.585 214 H MET 34 H MET 34 -4.901 -1.329 5.871 215 HA MET 34 HA MET 34 -2.374 -1.190 7.234 216 HB2 MET 34 1HB MET 34 -4.371 0.971 6.354 217 HB3 MET 34 2HB MET 34 -2.768 1.302 6.981 218 HG2 MET 34 1HG MET 34 -3.152 -0.505 4.562 219 HG3 MET 34 2HG MET 34 -3.093 1.238 4.382 220 HE1 MET 34 3HE MET 34 -1.420 -0.697 3.007 221 HE2 MET 34 1HE MET 34 -0.521 0.826 2.811 222 HE3 MET 34 2HE MET 34 0.320 -0.637 3.377 223 H ALA 35 H ALA 35 -4.966 -2.336 8.470 224 HA ALA 35 HA ALA 35 -4.850 -0.670 10.881 225 HB1 ALA 35 3HB ALA 35 -7.243 -0.854 11.157 226 HB2 ALA 35 1HB ALA 35 -6.931 -0.228 9.520 227 HB3 ALA 35 2HB ALA 35 -7.374 -1.937 9.750 228 H LYS 36 H LYS 36 -3.138 -2.410 11.269 229 HA LYS 36 HA LYS 36 -4.409 -4.942 12.018 230 HB2 LYS 36 1HB LYS 36 -2.037 -5.790 12.052 231 HB3 LYS 36 2HB LYS 36 -2.655 -5.333 10.478 232 HG2 LYS 36 1HG LYS 36 -1.308 -3.139 11.995 233 HG3 LYS 36 2HG LYS 36 -0.260 -4.456 11.508 234 HD2 LYS 36 1HD LYS 36 -1.244 -4.214 9.141 235 HD3 LYS 36 2HD LYS 36 -2.015 -2.741 9.696 236 HE2 LYS 36 1HE LYS 36 0.251 -1.844 10.363 237 HE3 LYS 36 2HE LYS 36 0.991 -3.294 9.713 238 HZ1 LYS 36 2HZ LYS 36 1.062 -1.977 7.859 239 HZ3 LYS 36 1HZ LYS 36 -0.232 -1.076 8.266 240 H GLY 37 H GLY 37 -3.022 -1.973 13.202 241 HA2 GLY 37 1HA GLY 37 -2.022 -2.815 15.681 242 HA3 GLY 37 2HA GLY 37 -2.599 -1.212 15.273 Start of MODEL 10 1 HA ARG 1 HA ARG 1 -8.286 3.019 -21.572 2 HE ARG 1 HE ARG 1 -11.363 5.765 -19.038 3 H1 ARG 1 1H ARG 1 -9.175 3.306 -24.330 4 HB2 ARG 1 1HB ARG 1 -10.943 3.664 -22.796 5 HB3 ARG 1 2HB ARG 1 -10.998 2.543 -21.450 6 HG2 ARG 1 1HG ARG 1 -10.309 4.128 -19.909 7 HG3 ARG 1 2HG ARG 1 -9.256 4.942 -21.049 8 HD2 ARG 1 1HD ARG 1 -10.947 6.322 -21.850 9 HD3 ARG 1 2HD ARG 1 -12.192 5.106 -21.641 10 HH11 ARG 1 1HH1 ARG 1 -12.779 7.501 -21.784 11 HH12 ARG 1 2HH1 ARG 1 -13.586 8.667 -20.789 12 HH21 ARG 1 1HH2 ARG 1 -13.365 8.532 -18.407 13 H GLY 2 H GLY 2 -8.616 0.929 -20.548 14 HA2 GLY 2 1HA GLY 2 -9.658 -1.265 -20.715 15 HA3 GLY 2 2HA GLY 2 -9.312 -1.243 -22.433 16 H LYS 3 H LYS 3 -8.140 -2.078 -19.291 17 HA LYS 3 HA LYS 3 -5.379 -2.230 -20.184 18 HB2 LYS 3 1HB LYS 3 -6.276 -3.194 -17.500 19 HB3 LYS 3 2HB LYS 3 -4.790 -2.391 -17.965 20 HG2 LYS 3 1HG LYS 3 -7.545 -1.139 -17.616 21 HG3 LYS 3 2HG LYS 3 -6.089 -0.785 -16.708 22 HD2 LYS 3 1HD LYS 3 -5.193 -0.226 -19.233 23 HD3 LYS 3 2HD LYS 3 -6.895 0.135 -19.443 24 HE2 LYS 3 1HE LYS 3 -6.430 1.383 -17.036 25 HE3 LYS 3 2HE LYS 3 -4.849 1.540 -17.776 26 HZ1 LYS 3 2HZ LYS 3 -6.461 3.370 -18.322 27 HZ3 LYS 3 1HZ LYS 3 -7.342 2.310 -19.190 28 H TRP 4 H TRP 4 -4.275 -4.432 -19.309 29 HA TRP 4 HA TRP 4 -5.852 -6.761 -19.467 30 HD1 TRP 4 HD1 TRP 4 -5.716 -4.126 -22.942 31 HE1 TRP 4 HE1 TRP 4 -3.721 -3.026 -24.274 32 HE3 TRP 4 HE3 TRP 4 -2.227 -7.573 -21.599 33 HZ2 TRP 4 HZ2 TRP 4 -0.969 -3.706 -24.608 34 HZ3 TRP 4 HZ3 TRP 4 0.090 -7.281 -22.471 35 HH2 TRP 4 HH2 TRP 4 0.741 -5.429 -23.927 36 HB2 TRP 4 1HB TRP 4 -4.825 -7.586 -21.641 37 HB3 TRP 4 2HB TRP 4 -6.177 -6.476 -21.742 38 H THR 5 H THR 5 -4.712 -7.963 -18.011 39 HA THR 5 HA THR 5 -2.043 -7.392 -17.341 40 HB THR 5 HB THR 5 -3.948 -9.723 -16.803 41 HG1 THR 5 HG1 THR 5 -2.780 -7.559 -15.204 42 HG21 THR 5 3HG2 THR 5 -2.213 -10.850 -15.831 43 HG22 THR 5 1HG2 THR 5 -1.079 -9.559 -16.298 44 HG23 THR 5 2HG2 THR 5 -1.966 -9.451 -14.758 45 H TYR 6 H TYR 6 -0.092 -8.498 -17.711 46 HA TYR 6 HA TYR 6 -0.192 -10.328 -20.012 47 HD1 TYR 6 HD1 TYR 6 3.777 -7.655 -20.019 48 HD2 TYR 6 HD2 TYR 6 1.435 -10.885 -21.562 49 HE1 TYR 6 HE1 TYR 6 5.828 -8.589 -21.196 50 HE2 TYR 6 HE2 TYR 6 3.493 -11.808 -22.734 51 HH TYR 6 HH TYR 6 5.563 -11.434 -23.291 52 HB2 TYR 6 1HB TYR 6 0.637 -8.130 -20.745 53 HB3 TYR 6 2HB TYR 6 1.570 -7.924 -19.276 54 H ASN 7 H ASN 7 -0.275 -11.864 -18.032 55 HA ASN 7 HA ASN 7 0.793 -13.498 -17.052 56 HB2 ASN 7 1HB ASN 7 2.666 -12.920 -18.891 57 HB3 ASN 7 2HB ASN 7 3.546 -12.308 -17.504 58 HD21 ASN 7 2HD2 ASN 7 3.762 -16.145 -18.351 59 HD22 ASN 7 1HD2 ASN 7 3.423 -14.820 -19.414 60 H GLY 8 H GLY 8 -0.139 -11.237 -15.631 61 HA2 GLY 8 1HA GLY 8 0.180 -11.066 -13.232 62 HA3 GLY 8 2HA GLY 8 1.905 -10.938 -13.513 63 H ILE 9 H ILE 9 1.946 -9.168 -15.764 64 HA ILE 9 HA ILE 9 1.996 -6.727 -14.583 65 HB ILE 9 HB ILE 9 2.190 -7.817 -17.227 66 HG12 ILE 9 1HG1 ILE 9 3.936 -6.686 -15.771 67 HG13 ILE 9 2HG1 ILE 9 3.914 -6.237 -17.464 68 HG21 ILE 9 1HG2 ILE 9 0.934 -5.063 -17.153 69 HG22 ILE 9 2HG2 ILE 9 1.420 -6.004 -18.584 70 HG23 ILE 9 3HG2 ILE 9 0.059 -6.554 -17.576 71 HD11 ILE 9 3HD1 ILE 9 4.124 -4.268 -15.903 72 HD12 ILE 9 1HD1 ILE 9 2.706 -4.168 -16.974 73 HD13 ILE 9 2HD1 ILE 9 2.504 -4.648 -15.272 74 H THR 10 H THR 10 0.565 -4.748 -15.276 75 HA THR 10 HA THR 10 -2.258 -5.564 -15.048 76 HB THR 10 HB THR 10 -0.669 -3.396 -13.589 77 HG1 THR 10 HG1 THR 10 -0.975 -4.913 -11.994 78 HG21 THR 10 3HG2 THR 10 -2.610 -2.302 -13.013 79 HG22 THR 10 1HG2 THR 10 -3.296 -3.055 -14.473 80 HG23 THR 10 2HG2 THR 10 -3.522 -3.825 -12.884 81 H TYR 11 H TYR 11 0.145 -3.194 -16.267 82 HA TYR 11 HA TYR 11 -0.013 -1.626 -17.838 83 HD1 TYR 11 HD1 TYR 11 1.409 -2.945 -17.953 84 HD2 TYR 11 HD2 TYR 11 -0.710 -4.736 -21.209 85 HE1 TYR 11 HE1 TYR 11 3.566 -4.003 -18.783 86 HE2 TYR 11 HE2 TYR 11 1.454 -5.788 -22.029 87 HH TYR 11 HH TYR 11 4.414 -5.530 -20.136 88 HB2 TYR 11 1HB TYR 11 -1.787 -3.937 -18.805 89 HB3 TYR 11 2HB TYR 11 -1.508 -2.553 -19.842 90 H GLU 12 H GLU 12 -1.921 -1.337 -15.607 91 HA GLU 12 HA GLU 12 -4.200 -0.215 -17.018 92 HE2 GLU 12 HE2 GLU 12 -8.213 -0.516 -13.010 93 HB2 GLU 12 1HB GLU 12 -4.970 -1.644 -15.294 94 HB3 GLU 12 2HB GLU 12 -3.736 -1.118 -14.166 95 HG2 GLU 12 1HG GLU 12 -4.807 1.040 -13.857 96 HG3 GLU 12 2HG GLU 12 -5.893 0.769 -15.206 97 H GLY 13 H GLY 13 -1.218 0.595 -15.446 98 HA2 GLY 13 1HA GLY 13 -0.230 2.557 -14.977 99 HA3 GLY 13 2HA GLY 13 -1.392 3.319 -16.045 100 H GLY 14 H GLY 14 -0.398 2.834 -12.757 101 HA2 GLY 14 1HA GLY 14 -1.231 3.495 -10.770 102 HA3 GLY 14 2HA GLY 14 -1.811 4.889 -11.659 103 H GLY 15 H GLY 15 -3.756 5.113 -10.453 104 HA2 GLY 15 1HA GLY 15 -5.540 2.913 -10.061 105 HA3 GLY 15 2HA GLY 15 -5.844 4.610 -9.744 106 H GLY 16 H GLY 16 -6.146 6.053 -11.779 107 HA2 GLY 16 1HA GLY 16 -7.211 4.602 -14.081 108 HA3 GLY 16 2HA GLY 16 -8.344 5.563 -13.153 109 H GLY 17 H GLY 17 -7.675 7.926 -12.711 110 HA2 GLY 17 1HA GLY 17 -6.304 8.977 -15.113 111 HA3 GLY 17 2HA GLY 17 -7.660 9.746 -14.313 112 H GLY 18 H GLY 18 -7.305 10.257 -11.865 113 HA2 GLY 18 1HA GLY 18 -4.515 10.735 -11.167 114 HA3 GLY 18 2HA GLY 18 -5.510 12.155 -11.423 115 H GLY 19 H GLY 19 -4.873 12.439 -9.030 116 HA2 GLY 19 1HA GLY 19 -6.359 10.735 -7.188 117 HA3 GLY 19 2HA GLY 19 -5.205 11.992 -6.789 118 H GLY 20 H GLY 20 -8.554 11.189 -7.185 119 HA2 GLY 20 1HA GLY 20 -9.319 14.040 -7.033 120 HA3 GLY 20 2HA GLY 20 -10.321 12.747 -7.661 121 H SER 21 H SER 21 -11.116 11.053 -6.143 122 HA SER 21 HA SER 21 -12.076 12.231 -3.816 123 HG SER 21 HG SER 21 -13.816 10.908 -5.608 124 HB2 SER 21 1HB SER 21 -11.978 9.232 -4.140 125 HB3 SER 21 2HB SER 21 -13.271 10.230 -3.504 126 H ALA 22 H ALA 22 -10.183 12.978 -2.635 127 HA ALA 22 HA ALA 22 -8.104 11.221 -1.904 128 HB1 ALA 22 3HB ALA 22 -8.979 13.757 -0.477 129 HB2 ALA 22 1HB ALA 22 -7.346 13.053 -0.559 130 HB3 ALA 22 2HB ALA 22 -8.080 13.768 -2.014 131 H ALA 23 H ALA 23 -10.918 12.579 -0.040 132 HA ALA 23 HA ALA 23 -10.488 11.194 2.291 133 HB1 ALA 23 3HB ALA 23 -12.254 12.505 2.751 134 HB2 ALA 23 1HB ALA 23 -12.589 12.730 1.017 135 HB3 ALA 23 2HB ALA 23 -13.289 11.343 1.887 136 H GLU 24 H GLU 24 -12.762 10.246 -0.391 137 HA GLU 24 HA GLU 24 -13.524 7.866 0.529 138 HE2 GLU 24 HE2 GLU 24 -17.279 7.606 -0.540 139 HB2 GLU 24 1HB GLU 24 -12.827 8.670 -2.323 140 HB3 GLU 24 2HB GLU 24 -13.628 7.159 -1.941 141 HG2 GLU 24 1HG GLU 24 -14.961 9.341 -0.545 142 HG3 GLU 24 2HG GLU 24 -14.823 9.737 -2.246 143 H ALA 25 H ALA 25 -10.376 8.660 -1.007 144 HA ALA 25 HA ALA 25 -9.431 6.095 -1.401 145 HB1 ALA 25 3HB ALA 25 -7.333 7.128 -1.666 146 HB2 ALA 25 1HB ALA 25 -8.483 8.430 -2.053 147 HB3 ALA 25 2HB ALA 25 -7.694 8.385 -0.459 148 H TYR 26 H TYR 26 -9.391 8.192 1.539 149 HA TYR 26 HA TYR 26 -7.874 6.395 3.094 150 HD1 TYR 26 HD1 TYR 26 -9.557 6.499 5.966 151 HD2 TYR 26 HD2 TYR 26 -11.104 9.837 3.782 152 HE1 TYR 26 HE1 TYR 26 -11.597 6.556 7.483 153 HE2 TYR 26 HE2 TYR 26 -13.139 9.882 5.306 154 HH TYR 26 HH TYR 26 -13.446 7.547 7.971 155 HB2 TYR 26 1HB TYR 26 -8.092 8.253 4.480 156 HB3 TYR 26 2HB TYR 26 -9.031 8.989 3.196 157 H ALA 27 H ALA 27 -11.384 6.794 2.454 158 HA ALA 27 HA ALA 27 -12.255 5.117 4.532 159 HB1 ALA 27 3HB ALA 27 -13.396 6.198 1.959 160 HB2 ALA 27 1HB ALA 27 -14.290 4.953 2.864 161 HB3 ALA 27 2HB ALA 27 -13.899 6.508 3.638 162 H LYS 28 H LYS 28 -12.416 4.382 0.980 163 HA LYS 28 HA LYS 28 -12.785 1.737 1.117 164 HB2 LYS 28 1HB LYS 28 -12.824 2.738 -1.000 165 HB3 LYS 28 2HB LYS 28 -11.226 3.432 -0.822 166 HG2 LYS 28 1HG LYS 28 -10.193 1.538 -1.570 167 HG3 LYS 28 2HG LYS 28 -11.179 0.497 -0.562 168 HD2 LYS 28 1HD LYS 28 -13.006 0.524 -2.180 169 HD3 LYS 28 2HD LYS 28 -12.229 1.781 -3.122 170 HE2 LYS 28 1HE LYS 28 -10.224 -0.047 -3.178 171 HE3 LYS 28 2HE LYS 28 -11.568 -1.149 -2.951 172 HZ1 LYS 28 2HZ LYS 28 -12.313 0.703 -4.919 173 HZ3 LYS 28 1HZ LYS 28 -12.046 -0.891 -5.115 174 H ARG 29 H ARG 29 -9.693 3.483 1.647 175 HA ARG 29 HA ARG 29 -8.133 1.184 1.716 176 HE ARG 29 HE ARG 29 -3.259 2.986 4.246 177 HB2 ARG 29 1HB ARG 29 -6.944 3.221 1.443 178 HB3 ARG 29 2HB ARG 29 -7.823 4.025 2.728 179 HG2 ARG 29 1HG ARG 29 -6.414 3.244 4.362 180 HG3 ARG 29 2HG ARG 29 -6.314 1.645 3.654 181 HD2 ARG 29 1HD ARG 29 -4.437 2.160 2.408 182 HD3 ARG 29 2HD ARG 29 -4.981 3.790 2.062 183 HH11 ARG 29 1HH1 ARG 29 -5.777 5.328 3.392 184 HH12 ARG 29 2HH1 ARG 29 -5.245 6.507 4.544 185 HH21 ARG 29 1HH2 ARG 29 -3.350 6.023 5.929 186 H ILE 30 H ILE 30 -9.704 3.185 4.305 187 HA ILE 30 HA ILE 30 -8.782 2.060 6.549 188 HB ILE 30 HB ILE 30 -11.577 2.906 5.820 189 HG12 ILE 30 1HG1 ILE 30 -9.182 4.314 6.339 190 HG13 ILE 30 2HG1 ILE 30 -10.792 4.963 6.101 191 HG21 ILE 30 1HG2 ILE 30 -11.611 1.251 7.694 192 HG22 ILE 30 2HG2 ILE 30 -10.568 2.356 8.621 193 HG23 ILE 30 3HG2 ILE 30 -12.199 2.873 8.130 194 HD11 ILE 30 3HD1 ILE 30 -9.572 4.075 8.754 195 HD12 ILE 30 1HD1 ILE 30 -9.947 5.742 8.255 196 HD13 ILE 30 2HD1 ILE 30 -11.266 4.585 8.554 197 H ALA 31 H ALA 31 -11.509 0.714 4.563 198 HA ALA 31 HA ALA 31 -12.063 -1.494 6.043 199 HB1 ALA 31 3HB ALA 31 -12.572 -0.503 3.423 200 HB2 ALA 31 1HB ALA 31 -12.046 -2.194 3.243 201 HB3 ALA 31 2HB ALA 31 -13.431 -1.799 4.289 202 H GLU 32 H GLU 32 -9.531 -1.185 3.457 203 HA GLU 32 HA GLU 32 -8.600 -3.717 3.524 204 HE2 GLU 32 HE2 GLU 32 -6.269 -0.616 0.162 205 HB2 GLU 32 1HB GLU 32 -6.929 -1.178 3.255 206 HB3 GLU 32 2HB GLU 32 -6.445 -2.774 2.714 207 HG2 GLU 32 1HG GLU 32 -8.947 -2.487 1.519 208 HG3 GLU 32 2HG GLU 32 -8.326 -0.849 1.465 209 H ALA 33 H ALA 33 -7.369 -0.936 5.525 210 HA ALA 33 HA ALA 33 -5.509 -2.330 6.982 211 HB1 ALA 33 3HB ALA 33 -7.289 -0.122 8.071 212 HB2 ALA 33 1HB ALA 33 -5.600 -0.483 8.503 213 HB3 ALA 33 2HB ALA 33 -5.986 0.175 6.895 214 H MET 34 H MET 34 -8.995 -1.716 7.813 215 HA MET 34 HA MET 34 -8.923 -3.233 10.130 216 HB2 MET 34 1HB MET 34 -11.178 -2.479 8.194 217 HB3 MET 34 2HB MET 34 -11.489 -3.274 9.725 218 HG2 MET 34 1HG MET 34 -9.906 -0.673 9.547 219 HG3 MET 34 2HG MET 34 -11.651 -0.691 9.705 220 HE1 MET 34 3HE MET 34 -9.344 0.474 11.203 221 HE2 MET 34 1HE MET 34 -9.885 0.422 12.898 222 HE3 MET 34 2HE MET 34 -8.503 -0.571 12.374 223 H ALA 35 H ALA 35 -8.674 -4.220 6.864 224 HA ALA 35 HA ALA 35 -10.026 -6.747 7.240 225 HB1 ALA 35 3HB ALA 35 -9.417 -5.088 5.068 226 HB2 ALA 35 1HB ALA 35 -8.326 -6.482 4.874 227 HB3 ALA 35 2HB ALA 35 -10.084 -6.736 4.987 228 H LYS 36 H LYS 36 -9.073 -8.622 7.905 229 HA LYS 36 HA LYS 36 -7.525 -10.060 8.543 230 HB2 LYS 36 1HB LYS 36 -5.713 -8.469 6.705 231 HB3 LYS 36 2HB LYS 36 -5.262 -9.979 7.471 232 HG2 LYS 36 1HG LYS 36 -7.409 -10.981 6.408 233 HG3 LYS 36 2HG LYS 36 -7.489 -9.520 5.445 234 HD2 LYS 36 1HD LYS 36 -5.532 -10.026 4.247 235 HD3 LYS 36 2HD LYS 36 -4.866 -11.010 5.535 236 HE2 LYS 36 1HE LYS 36 -6.691 -12.727 5.083 237 HE3 LYS 36 2HE LYS 36 -7.194 -11.766 3.706 238 HZ1 LYS 36 2HZ LYS 36 -5.686 -13.325 2.834 239 HZ3 LYS 36 1HZ LYS 36 -4.624 -13.181 4.059 240 H GLY 37 H GLY 37 -8.232 -7.942 10.252 241 HA2 GLY 37 1HA GLY 37 -7.570 -7.127 12.246 242 HA3 GLY 37 2HA GLY 37 -6.064 -8.007 12.083 Start of MODEL 11 1 HA ARG 1 HA ARG 1 5.743 0.183 -17.105 2 HE ARG 1 HE ARG 1 8.994 2.307 -11.972 3 H1 ARG 1 1H ARG 1 7.338 2.201 -17.156 4 HB2 ARG 1 1HB ARG 1 6.572 -0.404 -14.816 5 HB3 ARG 1 2HB ARG 1 7.852 0.248 -15.820 6 HG2 ARG 1 1HG ARG 1 6.755 2.539 -14.629 7 HG3 ARG 1 2HG ARG 1 6.665 1.347 -13.348 8 HD2 ARG 1 1HD ARG 1 9.239 1.072 -14.638 9 HD3 ARG 1 2HD ARG 1 8.987 2.771 -14.293 10 HH11 ARG 1 1HH1 ARG 1 8.988 -0.714 -13.824 11 HH12 ARG 1 2HH1 ARG 1 9.356 -1.702 -12.449 12 HH21 ARG 1 1HH2 ARG 1 9.640 -0.671 -10.305 13 H GLY 2 H GLY 2 3.689 1.846 -17.400 14 HA2 GLY 2 1HA GLY 2 2.384 2.289 -14.811 15 HA3 GLY 2 2HA GLY 2 1.904 2.937 -16.367 16 H LYS 3 H LYS 3 1.410 1.059 -18.098 17 HA LYS 3 HA LYS 3 -0.802 -0.336 -17.042 18 HB2 LYS 3 1HB LYS 3 -1.034 -1.212 -19.313 19 HB3 LYS 3 2HB LYS 3 -0.762 0.519 -19.321 20 HG2 LYS 3 1HG LYS 3 1.753 -1.044 -19.425 21 HG3 LYS 3 2HG LYS 3 0.693 -1.365 -20.783 22 HD2 LYS 3 1HD LYS 3 1.444 0.556 -21.728 23 HD3 LYS 3 2HD LYS 3 0.578 1.438 -20.485 24 HE2 LYS 3 1HE LYS 3 2.559 2.182 -19.671 25 HE3 LYS 3 2HE LYS 3 2.979 0.535 -19.241 26 HZ1 LYS 3 2HZ LYS 3 3.992 0.229 -21.385 27 HZ3 LYS 3 1HZ LYS 3 4.577 1.632 -20.800 28 H TRP 4 H TRP 4 -1.088 -2.501 -16.499 29 HA TRP 4 HA TRP 4 1.314 -4.176 -16.638 30 HD1 TRP 4 HD1 TRP 4 -0.487 -1.486 -13.652 31 HE1 TRP 4 HE1 TRP 4 -2.786 -1.543 -12.357 32 HE3 TRP 4 HE3 TRP 4 -1.233 -6.492 -14.133 33 HZ2 TRP 4 HZ2 TRP 4 -4.617 -3.629 -11.694 34 HZ3 TRP 4 HZ3 TRP 4 -3.301 -7.460 -13.133 35 HH2 TRP 4 HH2 TRP 4 -4.962 -6.115 -11.947 36 HB2 TRP 4 1HB TRP 4 0.809 -5.023 -14.376 37 HB3 TRP 4 2HB TRP 4 1.336 -3.352 -14.411 38 H THR 5 H THR 5 0.766 -5.906 -17.892 39 HA THR 5 HA THR 5 -1.872 -6.486 -18.619 40 HB THR 5 HB THR 5 -0.654 -8.678 -19.399 41 HG1 THR 5 HG1 THR 5 1.049 -8.427 -17.760 42 HG21 THR 5 3HG2 THR 5 0.469 -5.931 -20.164 43 HG22 THR 5 1HG2 THR 5 0.767 -7.434 -21.070 44 HG23 THR 5 2HG2 THR 5 -0.881 -6.769 -20.968 45 H TYR 6 H TYR 6 -3.506 -7.482 -17.627 46 HA TYR 6 HA TYR 6 -2.848 -8.954 -15.180 47 HD1 TYR 6 HD1 TYR 6 -4.758 -9.404 -13.234 48 HD2 TYR 6 HD2 TYR 6 -7.271 -8.372 -16.539 49 HE1 TYR 6 HE1 TYR 6 -6.631 -10.822 -12.263 50 HE2 TYR 6 HE2 TYR 6 -9.135 -9.794 -15.556 51 HH TYR 6 HH TYR 6 -8.779 -11.288 -12.381 52 HB2 TYR 6 1HB TYR 6 -4.471 -7.219 -14.787 53 HB3 TYR 6 2HB TYR 6 -5.172 -7.395 -16.383 54 H ASN 7 H ASN 7 -5.400 -9.122 -17.769 55 HA ASN 7 HA ASN 7 -4.857 -11.980 -17.855 56 HB2 ASN 7 1HB ASN 7 -7.067 -11.116 -16.607 57 HB3 ASN 7 2HB ASN 7 -7.673 -10.913 -18.238 58 HD21 ASN 7 2HD2 ASN 7 -8.179 -14.396 -16.613 59 HD22 ASN 7 1HD2 ASN 7 -8.191 -12.811 -15.915 60 H GLY 8 H GLY 8 -3.546 -10.782 -19.740 61 HA2 GLY 8 1HA GLY 8 -3.280 -10.512 -21.956 62 HA3 GLY 8 2HA GLY 8 -4.797 -11.358 -22.192 63 H ILE 9 H ILE 9 -4.513 -8.379 -20.227 64 HA ILE 9 HA ILE 9 -5.585 -6.807 -22.427 65 HB ILE 9 HB ILE 9 -7.321 -5.904 -20.787 66 HG12 ILE 9 1HG1 ILE 9 -7.921 -8.232 -19.384 67 HG13 ILE 9 2HG1 ILE 9 -6.185 -8.083 -19.203 68 HG21 ILE 9 1HG2 ILE 9 -8.738 -6.981 -22.111 69 HG22 ILE 9 2HG2 ILE 9 -7.370 -7.949 -22.712 70 HG23 ILE 9 3HG2 ILE 9 -8.349 -8.541 -21.348 71 HD11 ILE 9 3HD1 ILE 9 -6.912 -5.478 -18.789 72 HD12 ILE 9 1HD1 ILE 9 -8.358 -6.316 -18.178 73 HD13 ILE 9 2HD1 ILE 9 -6.760 -6.676 -17.482 74 H THR 10 H THR 10 -5.027 -4.615 -22.308 75 HA THR 10 HA THR 10 -3.101 -4.016 -20.175 76 HB THR 10 HB THR 10 -3.543 -2.637 -22.872 77 HG1 THR 10 HG1 THR 10 -1.685 -4.713 -21.940 78 HG21 THR 10 3HG2 THR 10 -1.342 -1.744 -22.556 79 HG22 THR 10 1HG2 THR 10 -2.120 -1.528 -20.969 80 HG23 THR 10 2HG2 THR 10 -0.987 -2.876 -21.229 81 H TYR 11 H TYR 11 -3.121 -1.960 -19.109 82 HA TYR 11 HA TYR 11 -5.856 -0.923 -18.919 83 HD1 TYR 11 HD1 TYR 11 -4.530 -1.192 -14.564 84 HD2 TYR 11 HD2 TYR 11 -6.009 -2.832 -18.228 85 HE1 TYR 11 HE1 TYR 11 -5.849 -2.932 -13.261 86 HE2 TYR 11 HE2 TYR 11 -7.323 -4.567 -16.913 87 HH TYR 11 HH TYR 11 -7.662 -4.347 -13.480 88 HB2 TYR 11 1HB TYR 11 -3.340 -1.103 -17.188 89 HB3 TYR 11 2HB TYR 11 -4.544 0.107 -16.793 90 H GLU 12 H GLU 12 -4.078 -0.182 -21.154 91 HA GLU 12 HA GLU 12 -3.206 2.463 -20.414 92 HE2 GLU 12 HE2 GLU 12 0.615 2.280 -24.507 93 HB2 GLU 12 1HB GLU 12 -2.103 0.633 -22.083 94 HB3 GLU 12 2HB GLU 12 -3.073 1.504 -23.254 95 HG2 GLU 12 1HG GLU 12 -1.996 3.637 -21.973 96 HG3 GLU 12 2HG GLU 12 -0.737 2.470 -21.623 97 H GLY 13 H GLY 13 -6.070 1.877 -20.284 98 HA2 GLY 13 1HA GLY 13 -7.349 2.886 -22.637 99 HA3 GLY 13 2HA GLY 13 -8.073 2.576 -21.071 100 H GLY 14 H GLY 14 -7.553 4.192 -19.265 101 HA2 GLY 14 1HA GLY 14 -6.526 6.468 -18.990 102 HA3 GLY 14 2HA GLY 14 -7.419 6.905 -20.433 103 H GLY 15 H GLY 15 -7.492 6.884 -17.050 104 HA2 GLY 15 1HA GLY 15 -9.307 8.110 -16.043 105 HA3 GLY 15 2HA GLY 15 -10.428 7.229 -17.060 106 H GLY 16 H GLY 16 -10.005 7.471 -13.997 107 HA2 GLY 16 1HA GLY 16 -10.447 4.646 -13.458 108 HA3 GLY 16 2HA GLY 16 -9.042 5.360 -12.692 109 H GLY 17 H GLY 17 -10.957 4.390 -11.007 110 HA2 GLY 17 1HA GLY 17 -12.242 4.948 -9.252 111 HA3 GLY 17 2HA GLY 17 -11.609 6.575 -9.398 112 H GLY 18 H GLY 18 -13.330 7.966 -9.320 113 HA2 GLY 18 1HA GLY 18 -15.264 7.893 -11.445 114 HA3 GLY 18 2HA GLY 18 -15.945 7.465 -9.888 115 H GLY 19 H GLY 19 -17.210 9.339 -9.594 116 HA2 GLY 19 1HA GLY 19 -15.896 11.941 -9.767 117 HA3 GLY 19 2HA GLY 19 -17.604 11.619 -9.545 118 H GLY 20 H GLY 20 -16.486 13.530 -7.926 119 HA2 GLY 20 1HA GLY 20 -15.998 14.112 -5.797 120 HA3 GLY 20 2HA GLY 20 -17.214 12.916 -5.396 121 H SER 21 H SER 21 -16.620 11.079 -4.277 122 HA SER 21 HA SER 21 -13.969 10.966 -3.345 123 HG SER 21 HG SER 21 -15.697 11.353 -1.762 124 HB2 SER 21 1HB SER 21 -16.171 8.872 -3.085 125 HB3 SER 21 2HB SER 21 -14.736 8.990 -2.087 126 H ALA 22 H ALA 22 -12.987 10.830 -5.612 127 HA ALA 22 HA ALA 22 -13.372 8.563 -7.208 128 HB1 ALA 22 3HB ALA 22 -12.218 10.920 -7.606 129 HB2 ALA 22 1HB ALA 22 -10.751 10.038 -7.118 130 HB3 ALA 22 2HB ALA 22 -11.697 9.486 -8.521 131 H ALA 23 H ALA 23 -13.326 6.638 -5.995 132 HA ALA 23 HA ALA 23 -12.446 4.918 -4.913 133 HB1 ALA 23 3HB ALA 23 -10.220 4.235 -5.582 134 HB2 ALA 23 1HB ALA 23 -11.012 4.997 -6.982 135 HB3 ALA 23 2HB ALA 23 -9.798 5.901 -6.046 136 H GLU 24 H GLU 24 -12.589 7.651 -3.602 137 HA GLU 24 HA GLU 24 -10.363 7.446 -1.768 138 HE2 GLU 24 HE2 GLU 24 -9.702 12.574 -0.941 139 HB2 GLU 24 1HB GLU 24 -12.447 9.565 -2.349 140 HB3 GLU 24 2HB GLU 24 -11.543 9.618 -0.849 141 HG2 GLU 24 1HG GLU 24 -9.659 9.115 -2.971 142 HG3 GLU 24 2HG GLU 24 -10.692 10.433 -3.490 143 H ALA 25 H ALA 25 -12.780 5.535 -1.973 144 HA ALA 25 HA ALA 25 -13.696 5.876 0.802 145 HB1 ALA 25 3HB ALA 25 -15.811 5.533 0.104 146 HB2 ALA 25 1HB ALA 25 -15.207 5.782 -1.551 147 HB3 ALA 25 2HB ALA 25 -15.333 4.135 -0.888 148 H TYR 26 H TYR 26 -12.545 3.664 -1.785 149 HA TYR 26 HA TYR 26 -12.473 1.436 0.053 150 HD1 TYR 26 HD1 TYR 26 -11.016 2.373 -4.410 151 HD2 TYR 26 HD2 TYR 26 -10.001 -0.263 -1.197 152 HE1 TYR 26 HE1 TYR 26 -8.745 1.945 -5.469 153 HE2 TYR 26 HE2 TYR 26 -7.733 -0.681 -2.266 154 HH TYR 26 HH TYR 26 -6.471 1.258 -4.631 155 HB2 TYR 26 1HB TYR 26 -12.537 0.386 -2.020 156 HB3 TYR 26 2HB TYR 26 -12.590 1.973 -2.762 157 H ALA 27 H ALA 27 -10.179 3.662 -1.627 158 HA ALA 27 HA ALA 27 -7.863 2.340 -0.716 159 HB1 ALA 27 3HB ALA 27 -6.811 4.586 -1.351 160 HB2 ALA 27 1HB ALA 27 -7.714 3.749 -2.636 161 HB3 ALA 27 2HB ALA 27 -8.454 5.122 -1.778 162 H LYS 28 H LYS 28 -10.277 4.125 0.922 163 HA LYS 28 HA LYS 28 -8.511 5.316 2.851 164 HB2 LYS 28 1HB LYS 28 -10.368 6.630 2.598 165 HB3 LYS 28 2HB LYS 28 -11.442 5.276 2.308 166 HG2 LYS 28 1HG LYS 28 -11.369 4.650 4.698 167 HG3 LYS 28 2HG LYS 28 -10.187 5.902 5.022 168 HD2 LYS 28 1HD LYS 28 -12.005 7.532 3.999 169 HD3 LYS 28 2HD LYS 28 -13.119 6.215 4.311 170 HE2 LYS 28 1HE LYS 28 -13.246 6.862 6.480 171 HE3 LYS 28 2HE LYS 28 -11.549 6.473 6.680 172 HZ1 LYS 28 2HZ LYS 28 -11.860 8.778 7.215 173 HZ3 LYS 28 1HZ LYS 28 -12.649 9.094 5.826 174 H ARG 29 H ARG 29 -11.214 2.900 3.148 175 HA ARG 29 HA ARG 29 -10.557 2.044 5.619 176 HE ARG 29 HE ARG 29 -15.205 2.807 4.281 177 HB2 ARG 29 1HB ARG 29 -11.545 0.142 3.448 178 HB3 ARG 29 2HB ARG 29 -11.928 0.100 5.158 179 HG2 ARG 29 1HG ARG 29 -12.900 2.539 4.706 180 HG3 ARG 29 2HG ARG 29 -12.945 2.006 3.037 181 HD2 ARG 29 1HD ARG 29 -14.389 0.113 3.600 182 HD3 ARG 29 2HD ARG 29 -14.189 0.400 5.317 183 HH11 ARG 29 1HH1 ARG 29 -16.285 -0.564 4.440 184 HH12 ARG 29 2HH1 ARG 29 -17.968 -0.155 4.449 185 HH21 ARG 29 1HH2 ARG 29 -18.615 2.151 4.361 186 H ILE 30 H ILE 30 -9.289 0.932 2.427 187 HA ILE 30 HA ILE 30 -7.963 -1.303 2.985 188 HB ILE 30 HB ILE 30 -7.087 1.092 1.386 189 HG12 ILE 30 1HG1 ILE 30 -9.113 -0.693 0.953 190 HG13 ILE 30 2HG1 ILE 30 -8.302 0.240 -0.289 191 HG21 ILE 30 1HG2 ILE 30 -5.463 -0.450 0.276 192 HG22 ILE 30 2HG2 ILE 30 -5.045 -0.021 1.953 193 HG23 ILE 30 3HG2 ILE 30 -5.748 -1.616 1.591 194 HD11 ILE 30 3HD1 ILE 30 -8.420 -2.243 -0.772 195 HD12 ILE 30 1HD1 ILE 30 -6.765 -1.589 -0.773 196 HD13 ILE 30 2HD1 ILE 30 -7.356 -2.513 0.629 197 H ALA 31 H ALA 31 -7.178 1.952 4.211 198 HA ALA 31 HA ALA 31 -4.618 1.492 5.124 199 HB1 ALA 31 3HB ALA 31 -5.241 3.280 6.822 200 HB2 ALA 31 1HB ALA 31 -5.561 3.700 5.122 201 HB3 ALA 31 2HB ALA 31 -6.900 3.198 6.183 202 H GLU 32 H GLU 32 -7.755 1.082 6.921 203 HA GLU 32 HA GLU 32 -6.662 0.089 9.210 204 HE2 GLU 32 HE2 GLU 32 -12.379 -1.728 7.210 205 HB2 GLU 32 1HB GLU 32 -8.845 -0.420 9.830 206 HB3 GLU 32 2HB GLU 32 -9.142 0.711 8.524 207 HG2 GLU 32 1HG GLU 32 -9.439 -1.174 6.928 208 HG3 GLU 32 2HG GLU 32 -9.078 -2.327 8.198 209 H ALA 33 H ALA 33 -7.787 -1.710 6.269 210 HA ALA 33 HA ALA 33 -7.379 -4.267 7.150 211 HB1 ALA 33 3HB ALA 33 -8.257 -3.202 4.882 212 HB2 ALA 33 1HB ALA 33 -6.582 -3.494 4.355 213 HB3 ALA 33 2HB ALA 33 -7.589 -4.851 4.916 214 H MET 34 H MET 34 -4.992 -2.139 5.414 215 HA MET 34 HA MET 34 -2.908 -3.949 5.657 216 HB2 MET 34 1HB MET 34 -2.956 -0.892 5.389 217 HB3 MET 34 2HB MET 34 -1.498 -1.845 5.199 218 HG2 MET 34 1HG MET 34 -3.206 -3.188 3.495 219 HG3 MET 34 2HG MET 34 -3.826 -1.555 3.352 220 HE1 MET 34 3HE MET 34 -2.236 -3.316 0.939 221 HE2 MET 34 1HE MET 34 -0.466 -3.224 1.102 222 HE3 MET 34 2HE MET 34 -1.430 -4.075 2.333 223 H ALA 35 H ALA 35 -4.491 -2.078 8.056 224 HA ALA 35 HA ALA 35 -2.100 -2.028 9.748 225 HB1 ALA 35 3HB ALA 35 -4.452 -0.325 9.382 226 HB2 ALA 35 1HB ALA 35 -4.210 -0.772 11.088 227 HB3 ALA 35 2HB ALA 35 -2.904 0.032 10.185 228 H LYS 36 H LYS 36 -2.383 -2.745 12.042 229 HA LYS 36 HA LYS 36 -4.022 -5.153 12.062 230 HB2 LYS 36 1HB LYS 36 -1.477 -4.302 13.280 231 HB3 LYS 36 2HB LYS 36 -2.528 -5.183 14.370 232 HG2 LYS 36 1HG LYS 36 -2.823 -6.820 12.279 233 HG3 LYS 36 2HG LYS 36 -1.314 -6.099 11.755 234 HD2 LYS 36 1HD LYS 36 -1.640 -7.217 14.568 235 HD3 LYS 36 2HD LYS 36 -1.191 -8.249 13.225 236 HE2 LYS 36 1HE LYS 36 0.342 -5.684 13.796 237 HE3 LYS 36 2HE LYS 36 0.719 -7.165 14.654 238 HZ1 LYS 36 2HZ LYS 36 0.585 -7.896 11.999 239 HZ3 LYS 36 1HZ LYS 36 1.950 -7.699 12.865 240 H GLY 37 H GLY 37 -5.086 -5.691 14.249 241 HA2 GLY 37 1HA GLY 37 -5.893 -4.594 16.313 242 HA3 GLY 37 2HA GLY 37 -6.324 -3.222 15.312 Start of MODEL 12 1 HA ARG 1 HA ARG 1 -8.026 4.846 -26.669 2 HE ARG 1 HE ARG 1 -5.937 5.912 -29.523 3 H1 ARG 1 1H ARG 1 -7.126 7.615 -26.607 4 HB2 ARG 1 1HB ARG 1 -5.316 6.039 -26.915 5 HB3 ARG 1 2HB ARG 1 -5.395 4.755 -25.725 6 HG2 ARG 1 1HG ARG 1 -5.781 3.121 -27.305 7 HG3 ARG 1 2HG ARG 1 -6.810 4.153 -28.278 8 HD2 ARG 1 1HD ARG 1 -3.797 4.590 -28.132 9 HD3 ARG 1 2HD ARG 1 -4.508 3.474 -29.282 10 HH11 ARG 1 1HH1 ARG 1 -2.638 4.737 -30.064 11 HH12 ARG 1 2HH1 ARG 1 -2.299 5.889 -31.312 12 HH21 ARG 1 1HH2 ARG 1 -3.991 7.465 -31.945 13 H GLY 2 H GLY 2 -7.869 3.674 -24.585 14 HA2 GLY 2 1HA GLY 2 -7.754 5.508 -22.264 15 HA3 GLY 2 2HA GLY 2 -8.925 4.215 -22.430 16 H LYS 3 H LYS 3 -8.379 2.098 -21.861 17 HA LYS 3 HA LYS 3 -5.805 1.830 -20.553 18 HB2 LYS 3 1HB LYS 3 -8.016 -0.223 -20.611 19 HB3 LYS 3 2HB LYS 3 -6.738 -0.025 -19.429 20 HG2 LYS 3 1HG LYS 3 -7.715 2.181 -18.749 21 HG3 LYS 3 2HG LYS 3 -8.999 1.970 -19.923 22 HD2 LYS 3 1HD LYS 3 -10.172 0.609 -18.529 23 HD3 LYS 3 2HD LYS 3 -8.775 -0.406 -18.232 24 HE2 LYS 3 1HE LYS 3 -8.948 0.430 -16.097 25 HE3 LYS 3 2HE LYS 3 -8.044 1.776 -16.763 26 HZ1 LYS 3 2HZ LYS 3 -9.926 3.086 -16.838 27 HZ3 LYS 3 1HZ LYS 3 -10.336 2.164 -15.559 28 H TRP 4 H TRP 4 -4.077 0.845 -21.459 29 HA TRP 4 HA TRP 4 -4.346 -0.205 -24.106 30 HD1 TRP 4 HD1 TRP 4 -0.696 2.062 -24.432 31 HE1 TRP 4 HE1 TRP 4 -0.284 1.859 -27.031 32 HE3 TRP 4 HE3 TRP 4 -3.618 -2.045 -25.107 33 HZ2 TRP 4 HZ2 TRP 4 -1.205 0.045 -29.032 34 HZ3 TRP 4 HZ3 TRP 4 -3.807 -2.969 -27.414 35 HH2 TRP 4 HH2 TRP 4 -2.660 -1.992 -29.338 36 HB2 TRP 4 1HB TRP 4 -2.333 0.997 -22.636 37 HB3 TRP 4 2HB TRP 4 -1.806 -0.671 -22.742 38 H THR 5 H THR 5 -6.068 -1.803 -23.066 39 HA THR 5 HA THR 5 -4.751 -4.097 -21.830 40 HB THR 5 HB THR 5 -7.716 -3.807 -22.438 41 HG1 THR 5 HG1 THR 5 -7.154 -1.829 -21.416 42 HG21 THR 5 3HG2 THR 5 -5.971 -5.401 -20.642 43 HG22 THR 5 1HG2 THR 5 -7.312 -4.598 -19.790 44 HG23 THR 5 2HG2 THR 5 -7.652 -5.706 -21.141 45 H TYR 6 H TYR 6 -4.091 -5.830 -22.929 46 HA TYR 6 HA TYR 6 -5.308 -6.251 -25.575 47 HD1 TYR 6 HD1 TYR 6 -1.217 -8.217 -24.796 48 HD2 TYR 6 HD2 TYR 6 -3.956 -7.003 -27.851 49 HE1 TYR 6 HE1 TYR 6 -0.422 -10.124 -26.278 50 HE2 TYR 6 HE2 TYR 6 -3.151 -8.913 -29.322 51 HH TYR 6 HH TYR 6 -2.073 -11.260 -28.792 52 HB2 TYR 6 1HB TYR 6 -3.044 -5.420 -25.911 53 HB3 TYR 6 2HB TYR 6 -2.443 -6.262 -24.496 54 H ASN 7 H ASN 7 -6.797 -7.701 -24.338 55 HA ASN 7 HA ASN 7 -7.383 -9.596 -23.412 56 HB2 ASN 7 1HB ASN 7 -5.368 -10.528 -25.513 57 HB3 ASN 7 2HB ASN 7 -6.366 -11.664 -24.628 58 HD21 ASN 7 2HD2 ASN 7 -8.246 -11.146 -27.667 59 HD22 ASN 7 1HD2 ASN 7 -6.846 -11.962 -27.055 60 H GLY 8 H GLY 8 -5.744 -8.511 -21.574 61 HA2 GLY 8 1HA GLY 8 -4.682 -10.580 -20.094 62 HA3 GLY 8 2HA GLY 8 -3.345 -9.954 -21.039 63 H ILE 9 H ILE 9 -2.125 -8.581 -19.821 64 HA ILE 9 HA ILE 9 -3.509 -6.931 -17.851 65 HB ILE 9 HB ILE 9 -1.255 -6.555 -16.946 66 HG12 ILE 9 1HG1 ILE 9 0.238 -8.619 -18.164 67 HG13 ILE 9 2HG1 ILE 9 -0.445 -7.687 -19.481 68 HG21 ILE 9 1HG2 ILE 9 -0.968 -8.755 -15.987 69 HG22 ILE 9 2HG2 ILE 9 -2.703 -8.390 -16.141 70 HG23 ILE 9 3HG2 ILE 9 -1.919 -9.490 -17.300 71 HD11 ILE 9 3HD1 ILE 9 1.704 -6.707 -18.832 72 HD12 ILE 9 1HD1 ILE 9 0.399 -5.578 -18.393 73 HD13 ILE 9 2HD1 ILE 9 1.169 -6.579 -17.139 74 H THR 10 H THR 10 -3.606 -4.710 -17.976 75 HA THR 10 HA THR 10 -3.266 -3.532 -20.506 76 HB THR 10 HB THR 10 -3.650 -2.363 -17.700 77 HG1 THR 10 HG1 THR 10 -5.220 -3.946 -18.765 78 HG21 THR 10 3HG2 THR 10 -3.098 -0.979 -20.120 79 HG22 THR 10 1HG2 THR 10 -4.870 -0.937 -19.952 80 HG23 THR 10 2HG2 THR 10 -3.837 -0.292 -18.654 81 H TYR 11 H TYR 11 -1.802 -1.950 -21.272 82 HA TYR 11 HA TYR 11 0.795 -2.095 -19.897 83 HD1 TYR 11 HD1 TYR 11 1.074 -3.413 -24.418 84 HD2 TYR 11 HD2 TYR 11 0.502 -4.033 -20.224 85 HE1 TYR 11 HE1 TYR 11 1.317 -5.922 -24.749 86 HE2 TYR 11 HE2 TYR 11 0.746 -6.540 -20.569 87 HH TYR 11 HH TYR 11 0.912 -7.909 -23.786 88 HB2 TYR 11 1HB TYR 11 -0.092 -1.685 -22.821 89 HB3 TYR 11 2HB TYR 11 1.583 -1.591 -22.313 90 H GLU 12 H GLU 12 0.500 -0.258 -18.544 91 HA GLU 12 HA GLU 12 -0.587 2.112 -19.331 92 HE2 GLU 12 HE2 GLU 12 3.820 0.516 -15.530 93 HB2 GLU 12 1HB GLU 12 0.675 3.108 -17.437 94 HB3 GLU 12 2HB GLU 12 -0.063 1.581 -16.994 95 HG2 GLU 12 1HG GLU 12 2.482 0.876 -18.029 96 HG3 GLU 12 2HG GLU 12 2.775 2.312 -17.068 97 H GLY 13 H GLY 13 0.265 4.109 -20.153 98 HA2 GLY 13 1HA GLY 13 2.883 3.817 -21.504 99 HA3 GLY 13 2HA GLY 13 1.495 4.617 -22.215 100 H GLY 14 H GLY 14 2.472 6.677 -22.429 101 HA2 GLY 14 1HA GLY 14 3.659 7.930 -20.094 102 HA3 GLY 14 2HA GLY 14 3.552 8.573 -21.720 103 H GLY 15 H GLY 15 2.317 8.784 -18.557 104 HA2 GLY 15 1HA GLY 15 0.484 10.834 -19.238 105 HA3 GLY 15 2HA GLY 15 -0.381 9.351 -18.886 106 H GLY 16 H GLY 16 -1.287 9.877 -16.887 107 HA2 GLY 16 1HA GLY 16 0.101 11.250 -14.843 108 HA3 GLY 16 2HA GLY 16 -1.393 10.347 -14.688 109 H GLY 17 H GLY 17 -1.386 8.339 -13.695 110 HA2 GLY 17 1HA GLY 17 1.199 6.980 -13.360 111 HA3 GLY 17 2HA GLY 17 0.282 7.428 -11.935 112 H GLY 18 H GLY 18 -2.125 6.706 -11.929 113 HA2 GLY 18 1HA GLY 18 -3.647 5.109 -13.065 114 HA3 GLY 18 2HA GLY 18 -2.287 4.006 -13.131 115 H GLY 19 H GLY 19 -5.089 4.422 -11.543 116 HA2 GLY 19 1HA GLY 19 -4.714 2.653 -9.526 117 HA3 GLY 19 2HA GLY 19 -4.229 4.174 -8.803 118 H GLY 20 H GLY 20 -6.233 3.440 -7.430 119 HA2 GLY 20 1HA GLY 20 -8.233 5.167 -7.466 120 HA3 GLY 20 2HA GLY 20 -8.783 4.061 -8.709 121 H SER 21 H SER 21 -7.797 4.313 -5.260 122 HA SER 21 HA SER 21 -8.946 1.700 -4.794 123 HG SER 21 HG SER 21 -6.078 3.782 -2.978 124 HB2 SER 21 1HB SER 21 -8.063 2.175 -2.404 125 HB3 SER 21 2HB SER 21 -6.878 1.911 -3.669 126 H ALA 22 H ALA 22 -11.199 1.946 -4.829 127 HA ALA 22 HA ALA 22 -12.370 4.204 -3.446 128 HB1 ALA 22 3HB ALA 22 -14.352 2.374 -4.320 129 HB2 ALA 22 1HB ALA 22 -13.866 3.901 -5.094 130 HB3 ALA 22 2HB ALA 22 -13.088 2.373 -5.573 131 H ALA 23 H ALA 23 -12.847 0.594 -3.378 132 HA ALA 23 HA ALA 23 -13.589 0.888 -0.560 133 HB1 ALA 23 3HB ALA 23 -14.656 -1.300 -0.849 134 HB2 ALA 23 1HB ALA 23 -15.213 -0.179 -2.115 135 HB3 ALA 23 2HB ALA 23 -14.000 -1.425 -2.500 136 H GLU 24 H GLU 24 -10.790 0.813 -1.991 137 HA GLU 24 HA GLU 24 -9.786 -1.524 -0.578 138 HE2 GLU 24 HE2 GLU 24 -6.697 -2.868 -4.577 139 HB2 GLU 24 1HB GLU 24 -8.730 0.111 -2.903 140 HB3 GLU 24 2HB GLU 24 -7.649 -0.907 -1.975 141 HG2 GLU 24 1HG GLU 24 -9.991 -2.474 -2.535 142 HG3 GLU 24 2HG GLU 24 -9.540 -1.681 -4.031 143 H ALA 25 H ALA 25 -10.059 1.919 -0.451 144 HA ALA 25 HA ALA 25 -7.755 2.106 1.353 145 HB1 ALA 25 3HB ALA 25 -7.959 4.534 0.980 146 HB2 ALA 25 1HB ALA 25 -7.813 3.665 -0.567 147 HB3 ALA 25 2HB ALA 25 -9.400 4.265 -0.029 148 H TYR 26 H TYR 26 -10.677 0.980 1.716 149 HA TYR 26 HA TYR 26 -11.351 2.696 4.010 150 HD1 TYR 26 HD1 TYR 26 -13.755 -0.364 1.227 151 HD2 TYR 26 HD2 TYR 26 -13.735 0.942 5.301 152 HE1 TYR 26 HE1 TYR 26 -15.040 -2.449 1.910 153 HE2 TYR 26 HE2 TYR 26 -15.020 -1.147 5.970 154 HH TYR 26 HH TYR 26 -16.684 -2.742 4.628 155 HB2 TYR 26 1HB TYR 26 -13.482 2.542 3.095 156 HB3 TYR 26 2HB TYR 26 -12.793 1.678 1.735 157 H ALA 27 H ALA 27 -11.254 -0.722 2.798 158 HA ALA 27 HA ALA 27 -11.708 -1.812 5.376 159 HB1 ALA 27 3HB ALA 27 -12.138 -3.562 4.038 160 HB2 ALA 27 1HB ALA 27 -11.452 -2.694 2.643 161 HB3 ALA 27 2HB ALA 27 -10.400 -3.689 3.678 162 H LYS 28 H LYS 28 -9.084 -0.133 4.050 163 HA LYS 28 HA LYS 28 -7.062 -1.720 5.383 164 HB2 LYS 28 1HB LYS 28 -5.489 -0.404 4.251 165 HB3 LYS 28 2HB LYS 28 -6.791 -0.617 3.099 166 HG2 LYS 28 1HG LYS 28 -7.730 1.619 3.778 167 HG3 LYS 28 2HG LYS 28 -6.385 1.833 4.880 168 HD2 LYS 28 1HD LYS 28 -5.868 1.238 1.948 169 HD3 LYS 28 2HD LYS 28 -6.248 2.871 2.459 170 HE2 LYS 28 1HE LYS 28 -4.171 3.185 3.344 171 HE3 LYS 28 2HE LYS 28 -4.228 1.667 4.217 172 HZ1 LYS 28 2HZ LYS 28 -2.690 1.029 2.704 173 HZ3 LYS 28 1HZ LYS 28 -3.037 2.220 1.649 174 H ARG 29 H ARG 29 -8.693 1.487 5.652 175 HA ARG 29 HA ARG 29 -7.173 2.191 7.915 176 HE ARG 29 HE ARG 29 -7.667 5.179 3.751 177 HB2 ARG 29 1HB ARG 29 -9.883 3.357 7.138 178 HB3 ARG 29 2HB ARG 29 -8.589 4.159 8.004 179 HG2 ARG 29 1HG ARG 29 -7.151 3.745 5.859 180 HG3 ARG 29 2HG ARG 29 -8.671 3.389 5.063 181 HD2 ARG 29 1HD ARG 29 -9.536 5.655 5.880 182 HD3 ARG 29 2HD ARG 29 -7.917 6.002 6.454 183 HH11 ARG 29 1HH1 ARG 29 -9.121 7.855 5.560 184 HH12 ARG 29 2HH1 ARG 29 -8.957 8.988 4.260 185 HH21 ARG 29 1HH2 ARG 29 -7.972 8.270 2.196 186 H ILE 30 H ILE 30 -10.446 0.803 7.306 187 HA ILE 30 HA ILE 30 -11.686 0.983 9.653 188 HB ILE 30 HB ILE 30 -11.426 -1.412 7.841 189 HG12 ILE 30 1HG1 ILE 30 -12.616 1.074 7.453 190 HG13 ILE 30 2HG1 ILE 30 -12.880 -0.380 6.511 191 HG21 ILE 30 1HG2 ILE 30 -13.384 -0.972 10.113 192 HG22 ILE 30 2HG2 ILE 30 -13.491 -2.259 8.888 193 HG23 ILE 30 3HG2 ILE 30 -12.119 -2.221 10.021 194 HD11 ILE 30 3HD1 ILE 30 -14.762 -1.040 7.945 195 HD12 ILE 30 1HD1 ILE 30 -14.446 0.332 9.033 196 HD13 ILE 30 2HD1 ILE 30 -15.013 0.627 7.372 197 H ALA 31 H ALA 31 -8.740 -0.899 8.983 198 HA ALA 31 HA ALA 31 -8.687 -2.583 11.132 199 HB1 ALA 31 3HB ALA 31 -6.701 -3.014 10.179 200 HB2 ALA 31 1HB ALA 31 -6.893 -1.568 9.158 201 HB3 ALA 31 2HB ALA 31 -6.074 -1.443 10.733 202 H GLU 32 H GLU 32 -7.344 0.797 10.994 203 HA GLU 32 HA GLU 32 -6.654 0.895 13.648 204 HE2 GLU 32 HE2 GLU 32 -6.366 4.109 10.259 205 HB2 GLU 32 1HB GLU 32 -6.228 3.168 13.280 206 HB3 GLU 32 2HB GLU 32 -6.149 2.521 11.653 207 HG2 GLU 32 1HG GLU 32 -8.525 3.186 11.265 208 HG3 GLU 32 2HG GLU 32 -8.623 3.813 12.898 209 H ALA 33 H ALA 33 -9.708 1.947 12.000 210 HA ALA 33 HA ALA 33 -11.021 3.056 14.105 211 HB1 ALA 33 3HB ALA 33 -12.802 2.987 12.691 212 HB2 ALA 33 1HB ALA 33 -11.611 2.373 11.520 213 HB3 ALA 33 2HB ALA 33 -12.646 1.236 12.417 214 H MET 34 H MET 34 -11.421 -0.419 13.093 215 HA MET 34 HA MET 34 -12.736 -1.141 15.400 216 HB2 MET 34 1HB MET 34 -10.931 -2.835 13.582 217 HB3 MET 34 2HB MET 34 -12.150 -3.480 14.664 218 HG2 MET 34 1HG MET 34 -12.637 -1.683 12.241 219 HG3 MET 34 2HG MET 34 -13.075 -3.373 12.393 220 HE1 MET 34 3HE MET 34 -15.343 -4.162 14.138 221 HE2 MET 34 1HE MET 34 -16.530 -3.169 13.260 222 HE3 MET 34 2HE MET 34 -15.144 -3.873 12.393 223 H ALA 35 H ALA 35 -9.430 -0.296 14.953 224 HA ALA 35 HA ALA 35 -8.510 -1.958 17.154 225 HB1 ALA 35 3HB ALA 35 -6.311 -1.183 16.520 226 HB2 ALA 35 1HB ALA 35 -7.184 -1.618 15.032 227 HB3 ALA 35 2HB ALA 35 -7.001 0.093 15.489 228 H LYS 36 H LYS 36 -7.971 -1.175 19.196 229 HA LYS 36 HA LYS 36 -9.364 0.828 20.305 230 HB2 LYS 36 1HB LYS 36 -6.579 -0.132 21.017 231 HB3 LYS 36 2HB LYS 36 -7.549 0.900 22.047 232 HG2 LYS 36 1HG LYS 36 -9.411 -0.909 21.818 233 HG3 LYS 36 2HG LYS 36 -8.162 -1.945 21.156 234 HD2 LYS 36 1HD LYS 36 -7.782 -0.520 23.818 235 HD3 LYS 36 2HD LYS 36 -8.608 -2.062 23.723 236 HE2 LYS 36 1HE LYS 36 -5.779 -1.537 22.690 237 HE3 LYS 36 2HE LYS 36 -6.157 -2.305 24.220 238 HZ1 LYS 36 2HZ LYS 36 -7.610 -3.726 22.377 239 HZ3 LYS 36 1HZ LYS 36 -6.204 -4.209 23.042 240 H GLY 37 H GLY 37 -8.839 3.039 21.022 241 HA2 GLY 37 1HA GLY 37 -6.804 4.394 19.397 242 HA3 GLY 37 2HA GLY 37 -8.474 4.906 19.249 Start of MODEL 13 1 HA ARG 1 HA ARG 1 -3.163 7.459 -25.344 2 HE ARG 1 HE ARG 1 -6.185 7.758 -29.066 3 H1 ARG 1 1H ARG 1 -2.818 8.311 -28.085 4 HB2 ARG 1 1HB ARG 1 -5.409 8.508 -25.221 5 HB3 ARG 1 2HB ARG 1 -4.181 9.728 -25.495 6 HG2 ARG 1 1HG ARG 1 -5.462 10.410 -27.250 7 HG3 ARG 1 2HG ARG 1 -4.848 9.003 -28.096 8 HD2 ARG 1 1HD ARG 1 -7.054 8.226 -26.341 9 HD3 ARG 1 2HD ARG 1 -7.554 9.541 -27.385 10 HH11 ARG 1 1HH1 ARG 1 -9.038 7.601 -26.970 11 HH12 ARG 1 2HH1 ARG 1 -9.822 6.383 -27.920 12 HH21 ARG 1 1HH2 ARG 1 -8.735 5.546 -29.885 13 H GLY 2 H GLY 2 -4.610 5.647 -25.126 14 HA2 GLY 2 1HA GLY 2 -6.514 4.670 -26.713 15 HA3 GLY 2 2HA GLY 2 -5.082 4.218 -27.615 16 H LYS 3 H LYS 3 -3.214 3.280 -26.045 17 HA LYS 3 HA LYS 3 -4.559 1.179 -24.518 18 HB2 LYS 3 1HB LYS 3 -2.599 -0.153 -24.891 19 HB3 LYS 3 2HB LYS 3 -3.117 0.514 -26.426 20 HG2 LYS 3 1HG LYS 3 -1.406 2.310 -26.250 21 HG3 LYS 3 2HG LYS 3 -0.913 1.709 -24.679 22 HD2 LYS 3 1HD LYS 3 0.676 0.734 -26.128 23 HD3 LYS 3 2HD LYS 3 -0.477 -0.565 -25.893 24 HE2 LYS 3 1HE LYS 3 -1.263 1.185 -28.128 25 HE3 LYS 3 2HE LYS 3 0.341 0.521 -28.364 26 HZ1 LYS 3 2HZ LYS 3 -1.114 -1.613 -27.469 27 HZ3 LYS 3 1HZ LYS 3 -0.741 -1.326 -29.028 28 H TRP 4 H TRP 4 -4.495 1.195 -22.335 29 HA TRP 4 HA TRP 4 -3.540 3.282 -20.869 30 HD1 TRP 4 HD1 TRP 4 -6.610 1.592 -18.511 31 HE1 TRP 4 HE1 TRP 4 -6.869 3.446 -16.652 32 HE3 TRP 4 HE3 TRP 4 -1.936 3.523 -19.044 33 HZ2 TRP 4 HZ2 TRP 4 -5.129 5.467 -15.635 34 HZ3 TRP 4 HZ3 TRP 4 -1.296 5.435 -17.579 35 HH2 TRP 4 HH2 TRP 4 -2.806 6.406 -15.920 36 HB2 TRP 4 1HB TRP 4 -4.879 0.922 -20.372 37 HB3 TRP 4 2HB TRP 4 -3.396 0.720 -19.461 38 H THR 5 H THR 5 -1.999 0.002 -20.673 39 HA THR 5 HA THR 5 0.121 -0.592 -20.324 40 HB THR 5 HB THR 5 0.884 1.692 -22.193 41 HG1 THR 5 HG1 THR 5 -1.188 0.458 -22.729 42 HG21 THR 5 3HG2 THR 5 2.697 0.114 -21.506 43 HG22 THR 5 1HG2 THR 5 1.679 -1.262 -21.996 44 HG23 THR 5 2HG2 THR 5 2.277 -0.117 -23.220 45 H TYR 6 H TYR 6 -0.814 0.842 -18.207 46 HA TYR 6 HA TYR 6 0.755 3.097 -17.587 47 HD1 TYR 6 HD1 TYR 6 -0.422 0.139 -14.165 48 HD2 TYR 6 HD2 TYR 6 0.604 4.199 -15.040 49 HE1 TYR 6 HE1 TYR 6 0.486 0.425 -11.807 50 HE2 TYR 6 HE2 TYR 6 1.509 4.472 -12.680 51 HH TYR 6 HH TYR 6 2.512 2.521 -10.901 52 HB2 TYR 6 1HB TYR 6 -1.264 2.748 -16.336 53 HB3 TYR 6 2HB TYR 6 -1.004 1.018 -16.231 54 H ASN 7 H ASN 7 0.880 -0.241 -16.141 55 HA ASN 7 HA ASN 7 3.651 0.329 -15.501 56 HB2 ASN 7 1HB ASN 7 2.056 -0.455 -13.681 57 HB3 ASN 7 2HB ASN 7 1.851 -1.963 -14.552 58 HD21 ASN 7 2HD2 ASN 7 4.323 -3.012 -12.223 59 HD22 ASN 7 1HD2 ASN 7 2.621 -2.832 -12.493 60 H GLY 8 H GLY 8 2.952 -0.245 -18.250 61 HA2 GLY 8 1HA GLY 8 4.070 -1.470 -19.849 62 HA3 GLY 8 2HA GLY 8 4.495 -2.681 -18.656 63 H ILE 9 H ILE 9 1.732 -2.942 -17.559 64 HA ILE 9 HA ILE 9 0.771 -4.772 -19.564 65 HB ILE 9 HB ILE 9 0.811 -4.693 -16.793 66 HG12 ILE 9 1HG1 ILE 9 1.000 -6.736 -17.948 67 HG13 ILE 9 2HG1 ILE 9 -0.491 -6.854 -17.035 68 HG21 ILE 9 1HG2 ILE 9 -2.026 -4.320 -17.787 69 HG22 ILE 9 2HG2 ILE 9 -1.589 -4.936 -16.175 70 HG23 ILE 9 3HG2 ILE 9 -1.128 -3.284 -16.651 71 HD11 ILE 9 3HD1 ILE 9 -1.596 -5.885 -19.250 72 HD12 ILE 9 1HD1 ILE 9 -0.109 -6.502 -20.009 73 HD13 ILE 9 2HD1 ILE 9 -1.189 -7.613 -19.135 74 H THR 10 H THR 10 -1.192 -4.643 -20.693 75 HA THR 10 HA THR 10 -2.222 -1.925 -20.907 76 HB THR 10 HB THR 10 -3.454 -3.235 -22.885 77 HG1 THR 10 HG1 THR 10 -2.852 -5.360 -22.376 78 HG21 THR 10 3HG2 THR 10 -1.608 -1.622 -23.330 79 HG22 THR 10 1HG2 THR 10 -0.415 -2.844 -22.828 80 HG23 THR 10 2HG2 THR 10 -1.383 -3.098 -24.300 81 H TYR 11 H TYR 11 -4.165 -1.235 -20.203 82 HA TYR 11 HA TYR 11 -5.770 -3.232 -18.787 83 HD1 TYR 11 HD1 TYR 11 -5.612 0.526 -16.112 84 HD2 TYR 11 HD2 TYR 11 -4.198 -3.207 -17.652 85 HE1 TYR 11 HE1 TYR 11 -4.313 0.123 -13.964 86 HE2 TYR 11 HE2 TYR 11 -2.904 -3.597 -15.499 87 HH TYR 11 HH TYR 11 -2.246 -1.199 -13.333 88 HB2 TYR 11 1HB TYR 11 -5.357 -0.197 -18.796 89 HB3 TYR 11 2HB TYR 11 -6.797 -0.859 -18.050 90 H GLU 12 H GLU 12 -6.673 -4.092 -20.839 91 HA GLU 12 HA GLU 12 -8.069 -2.418 -22.572 92 HE2 GLU 12 HE2 GLU 12 -7.223 -8.261 -23.473 93 HB2 GLU 12 1HB GLU 12 -9.032 -4.530 -23.460 94 HB3 GLU 12 2HB GLU 12 -7.298 -4.647 -23.242 95 HG2 GLU 12 1HG GLU 12 -8.259 -5.484 -20.761 96 HG3 GLU 12 2HG GLU 12 -9.475 -6.109 -21.857 97 H GLY 13 H GLY 13 -8.801 -3.692 -19.405 98 HA2 GLY 13 1HA GLY 13 -10.871 -2.218 -18.701 99 HA3 GLY 13 2HA GLY 13 -11.686 -3.373 -19.738 100 H GLY 14 H GLY 14 -11.985 -2.993 -16.808 101 HA2 GLY 14 1HA GLY 14 -12.491 -4.463 -15.144 102 HA3 GLY 14 2HA GLY 14 -11.744 -5.766 -16.047 103 H GLY 15 H GLY 15 -9.928 -6.615 -15.140 104 HA2 GLY 15 1HA GLY 15 -8.244 -6.822 -13.632 105 HA3 GLY 15 2HA GLY 15 -7.618 -5.434 -14.499 106 H GLY 16 H GLY 16 -9.278 -6.561 -11.574 107 HA2 GLY 16 1HA GLY 16 -8.966 -5.565 -9.494 108 HA3 GLY 16 2HA GLY 16 -8.578 -4.038 -10.261 109 H GLY 17 H GLY 17 -10.092 -2.517 -9.764 110 HA2 GLY 17 1HA GLY 17 -12.479 -2.075 -10.588 111 HA3 GLY 17 2HA GLY 17 -12.895 -3.391 -9.508 112 H GLY 18 H GLY 18 -13.146 -0.192 -9.632 113 HA2 GLY 18 1HA GLY 18 -13.886 0.777 -7.490 114 HA3 GLY 18 2HA GLY 18 -12.376 0.214 -6.803 115 H GLY 19 H GLY 19 -11.686 2.351 -6.226 116 HA2 GLY 19 1HA GLY 19 -11.605 4.493 -8.077 117 HA3 GLY 19 2HA GLY 19 -10.765 4.381 -6.543 118 H GLY 20 H GLY 20 -8.829 5.324 -7.427 119 HA2 GLY 20 1HA GLY 20 -7.302 3.434 -9.111 120 HA3 GLY 20 2HA GLY 20 -7.331 5.153 -9.451 121 H SER 21 H SER 21 -6.777 2.904 -6.644 122 HA SER 21 HA SER 21 -5.422 3.022 -4.944 123 HG SER 21 HG SER 21 -3.783 5.296 -7.063 124 HB2 SER 21 1HB SER 21 -3.159 2.990 -5.488 125 HB3 SER 21 2HB SER 21 -3.872 2.751 -7.070 126 H ALA 22 H ALA 22 -7.172 5.382 -5.406 127 HA ALA 22 HA ALA 22 -5.542 7.633 -4.582 128 HB1 ALA 22 3HB ALA 22 -7.709 7.429 -6.202 129 HB2 ALA 22 1HB ALA 22 -8.517 7.798 -4.659 130 HB3 ALA 22 2HB ALA 22 -7.292 8.912 -5.311 131 H ALA 23 H ALA 23 -4.807 7.249 -2.489 132 HA ALA 23 HA ALA 23 -4.954 7.347 -0.273 133 HB1 ALA 23 3HB ALA 23 -7.478 8.380 -1.120 134 HB2 ALA 23 1HB ALA 23 -7.783 7.280 0.246 135 HB3 ALA 23 2HB ALA 23 -6.648 8.639 0.433 136 H GLU 24 H GLU 24 -5.090 4.891 -2.019 137 HA GLU 24 HA GLU 24 -6.773 3.033 -0.829 138 HE2 GLU 24 HE2 GLU 24 -1.520 2.077 -4.473 139 HB2 GLU 24 1HB GLU 24 -5.011 1.379 -1.835 140 HB3 GLU 24 2HB GLU 24 -5.935 2.394 -2.924 141 HG2 GLU 24 1HG GLU 24 -4.114 3.796 -3.400 142 HG3 GLU 24 2HG GLU 24 -3.331 3.484 -1.863 143 H ALA 25 H ALA 25 -3.534 4.265 0.010 144 HA ALA 25 HA ALA 25 -2.673 2.264 1.697 145 HB1 ALA 25 3HB ALA 25 -1.109 3.923 1.208 146 HB2 ALA 25 1HB ALA 25 -2.262 5.245 1.508 147 HB3 ALA 25 2HB ALA 25 -1.565 4.345 2.876 148 H TYR 26 H TYR 26 -4.633 5.221 2.495 149 HA TYR 26 HA TYR 26 -5.050 4.343 5.176 150 HD1 TYR 26 HD1 TYR 26 -8.200 5.425 5.556 151 HD2 TYR 26 HD2 TYR 26 -6.816 7.522 2.093 152 HE1 TYR 26 HE1 TYR 26 -10.602 5.913 4.882 153 HE2 TYR 26 HE2 TYR 26 -9.223 8.003 1.431 154 HH TYR 26 HH TYR 26 -11.832 7.440 3.588 155 HB2 TYR 26 1HB TYR 26 -5.743 6.566 5.257 156 HB3 TYR 26 2HB TYR 26 -5.255 6.674 3.577 157 H ALA 27 H ALA 27 -6.798 4.086 2.067 158 HA ALA 27 HA ALA 27 -9.209 3.176 3.327 159 HB1 ALA 27 3HB ALA 27 -8.194 3.529 0.504 160 HB2 ALA 27 1HB ALA 27 -9.691 2.617 0.814 161 HB3 ALA 27 2HB ALA 27 -9.566 4.321 1.314 162 H LYS 28 H LYS 28 -6.188 1.833 3.078 163 HA LYS 28 HA LYS 28 -7.069 -0.810 2.286 164 HB2 LYS 28 1HB LYS 28 -4.984 -0.642 1.450 165 HB3 LYS 28 2HB LYS 28 -4.508 0.612 2.576 166 HG2 LYS 28 1HG LYS 28 -4.265 -1.105 4.384 167 HG3 LYS 28 2HG LYS 28 -4.738 -2.359 3.255 168 HD2 LYS 28 1HD LYS 28 -2.759 -1.516 1.772 169 HD3 LYS 28 2HD LYS 28 -2.224 -0.645 3.195 170 HE2 LYS 28 1HE LYS 28 -1.067 -2.660 3.467 171 HE3 LYS 28 2HE LYS 28 -2.507 -2.989 4.410 172 HZ1 LYS 28 2HZ LYS 28 -3.335 -3.810 2.024 173 HZ3 LYS 28 1HZ LYS 28 -2.547 -4.805 3.044 174 H ARG 29 H ARG 29 -5.990 1.001 5.207 175 HA ARG 29 HA ARG 29 -6.217 -1.325 6.811 176 HE ARG 29 HE ARG 29 -1.871 0.364 6.157 177 HB2 ARG 29 1HB ARG 29 -6.089 1.571 7.773 178 HB3 ARG 29 2HB ARG 29 -5.599 0.141 8.659 179 HG2 ARG 29 1HG ARG 29 -4.281 1.128 6.084 180 HG3 ARG 29 2HG ARG 29 -3.653 1.406 7.696 181 HD2 ARG 29 1HD ARG 29 -3.576 -1.118 8.034 182 HD3 ARG 29 2HD ARG 29 -4.044 -1.312 6.356 183 HH11 ARG 29 1HH1 ARG 29 -2.359 -2.725 7.824 184 HH12 ARG 29 2HH1 ARG 29 -0.702 -3.206 7.680 185 HH21 ARG 29 1HH2 ARG 29 0.854 -1.748 6.586 186 H ILE 30 H ILE 30 -8.146 1.641 6.122 187 HA ILE 30 HA ILE 30 -10.005 1.680 8.026 188 HB ILE 30 HB ILE 30 -10.394 1.938 5.045 189 HG12 ILE 30 1HG1 ILE 30 -8.877 3.469 6.752 190 HG13 ILE 30 2HG1 ILE 30 -9.526 3.989 5.210 191 HG21 ILE 30 1HG2 ILE 30 -12.440 3.179 5.541 192 HG22 ILE 30 2HG2 ILE 30 -12.550 1.497 6.114 193 HG23 ILE 30 3HG2 ILE 30 -12.253 2.815 7.274 194 HD11 ILE 30 3HD1 ILE 30 -10.102 5.592 7.017 195 HD12 ILE 30 1HD1 ILE 30 -11.567 4.851 6.330 196 HD13 ILE 30 2HD1 ILE 30 -10.941 4.293 7.900 197 H ALA 31 H ALA 31 -10.047 -0.581 5.190 198 HA ALA 31 HA ALA 31 -12.382 -1.887 5.772 199 HB1 ALA 31 3HB ALA 31 -9.882 -2.424 4.279 200 HB2 ALA 31 1HB ALA 31 -10.776 -3.881 4.775 201 HB3 ALA 31 2HB ALA 31 -11.578 -2.638 3.785 202 H GLU 32 H GLU 32 -9.030 -2.672 6.929 203 HA GLU 32 HA GLU 32 -9.611 -4.872 8.370 204 HE2 GLU 32 HE2 GLU 32 -5.456 -6.815 8.173 205 HB2 GLU 32 1HB GLU 32 -7.688 -2.634 9.148 206 HB3 GLU 32 2HB GLU 32 -7.638 -4.267 9.781 207 HG2 GLU 32 1HG GLU 32 -7.693 -4.671 7.007 208 HG3 GLU 32 2HG GLU 32 -6.700 -3.237 7.175 209 H ALA 33 H ALA 33 -9.664 -1.447 9.600 210 HA ALA 33 HA ALA 33 -10.539 -2.012 12.150 211 HB1 ALA 33 3HB ALA 33 -10.710 0.340 10.278 212 HB2 ALA 33 1HB ALA 33 -11.591 0.395 11.824 213 HB3 ALA 33 2HB ALA 33 -9.825 0.174 11.814 214 H MET 34 H MET 34 -12.450 -1.362 9.139 215 HA MET 34 HA MET 34 -14.917 -1.566 10.405 216 HB2 MET 34 1HB MET 34 -14.028 -2.042 7.507 217 HB3 MET 34 2HB MET 34 -15.713 -1.960 7.984 218 HG2 MET 34 1HG MET 34 -13.866 0.304 8.781 219 HG3 MET 34 2HG MET 34 -14.434 0.223 7.125 220 HE1 MET 34 3HE MET 34 -17.281 1.410 6.667 221 HE2 MET 34 1HE MET 34 -16.605 -0.222 6.449 222 HE3 MET 34 2HE MET 34 -18.127 -0.001 7.345 223 H ALA 35 H ALA 35 -12.547 -3.952 9.808 224 HA ALA 35 HA ALA 35 -14.545 -6.082 9.612 225 HB1 ALA 35 3HB ALA 35 -11.717 -5.697 8.789 226 HB2 ALA 35 1HB ALA 35 -12.107 -7.306 9.443 227 HB3 ALA 35 2HB ALA 35 -13.004 -6.673 8.042 228 H LYS 36 H LYS 36 -15.362 -6.329 11.689 229 HA LYS 36 HA LYS 36 -14.077 -5.944 14.043 230 HB2 LYS 36 1HB LYS 36 -16.300 -7.775 13.186 231 HB3 LYS 36 2HB LYS 36 -15.688 -7.871 14.825 232 HG2 LYS 36 1HG LYS 36 -17.465 -6.279 14.933 233 HG3 LYS 36 2HG LYS 36 -16.001 -5.316 14.965 234 HD2 LYS 36 1HD LYS 36 -16.208 -4.798 12.578 235 HD3 LYS 36 2HD LYS 36 -17.541 -5.922 12.400 236 HE2 LYS 36 1HE LYS 36 -18.453 -3.661 12.553 237 HE3 LYS 36 2HE LYS 36 -18.899 -4.535 14.005 238 HZ1 LYS 36 2HZ LYS 36 -17.323 -3.358 15.259 239 HZ3 LYS 36 1HZ LYS 36 -17.884 -2.198 14.262 240 H GLY 37 H GLY 37 -14.447 -9.217 12.496 241 HA2 GLY 37 1HA GLY 37 -12.006 -10.152 12.278 242 HA3 GLY 37 2HA GLY 37 -12.121 -10.124 14.026 Start of MODEL 14 1 HA ARG 1 HA ARG 1 -2.126 -7.001 -11.189 2 HE ARG 1 HE ARG 1 0.075 -10.056 -7.562 3 H1 ARG 1 1H ARG 1 -0.259 -4.880 -11.785 4 HB2 ARG 1 1HB ARG 1 -0.590 -5.371 -9.110 5 HB3 ARG 1 2HB ARG 1 -2.056 -6.248 -8.719 6 HG2 ARG 1 1HG ARG 1 -0.107 -7.906 -10.201 7 HG3 ARG 1 2HG ARG 1 0.541 -7.296 -8.691 8 HD2 ARG 1 1HD ARG 1 -2.073 -8.121 -8.017 9 HD3 ARG 1 2HD ARG 1 -1.520 -9.351 -9.136 10 HH11 ARG 1 1HH1 ARG 1 -1.219 -6.907 -6.581 11 HH12 ARG 1 2HH1 ARG 1 -0.458 -6.940 -5.025 12 HH21 ARG 1 1HH2 ARG 1 0.889 -8.827 -4.417 13 H GLY 2 H GLY 2 -4.139 -6.167 -11.645 14 HA2 GLY 2 1HA GLY 2 -5.877 -4.666 -11.149 15 HA3 GLY 2 2HA GLY 2 -4.708 -3.397 -10.840 16 H LYS 3 H LYS 3 -3.365 -2.621 -12.763 17 HA LYS 3 HA LYS 3 -5.110 -1.976 -14.873 18 HB2 LYS 3 1HB LYS 3 -2.215 -1.494 -14.244 19 HB3 LYS 3 2HB LYS 3 -2.806 -1.150 -15.857 20 HG2 LYS 3 1HG LYS 3 -3.609 0.825 -15.090 21 HG3 LYS 3 2HG LYS 3 -4.775 -0.066 -14.130 22 HD2 LYS 3 1HD LYS 3 -3.635 0.295 -12.175 23 HD3 LYS 3 2HD LYS 3 -2.075 -0.013 -12.911 24 HE2 LYS 3 1HE LYS 3 -1.664 2.214 -13.002 25 HE3 LYS 3 2HE LYS 3 -3.057 2.440 -14.041 26 HZ1 LYS 3 2HZ LYS 3 -3.345 2.233 -11.099 27 HZ3 LYS 3 1HZ LYS 3 -4.440 2.802 -12.162 28 H TRP 4 H TRP 4 -5.865 -3.493 -16.266 29 HA TRP 4 HA TRP 4 -4.628 -5.897 -16.824 30 HD1 TRP 4 HD1 TRP 4 -8.796 -6.604 -17.762 31 HE1 TRP 4 HE1 TRP 4 -8.752 -9.234 -17.974 32 HE3 TRP 4 HE3 TRP 4 -3.779 -6.985 -18.492 33 HZ2 TRP 4 HZ2 TRP 4 -6.670 -11.136 -18.413 34 HZ3 TRP 4 HZ3 TRP 4 -2.820 -9.265 -18.803 35 HH2 TRP 4 HH2 TRP 4 -4.179 -11.296 -18.773 36 HB2 TRP 4 1HB TRP 4 -7.008 -4.652 -17.462 37 HB3 TRP 4 2HB TRP 4 -6.226 -4.814 -19.022 38 H THR 5 H THR 5 -2.381 -5.622 -17.239 39 HA THR 5 HA THR 5 -1.807 -4.315 -19.817 40 HB THR 5 HB THR 5 -0.049 -4.422 -17.309 41 HG1 THR 5 HG1 THR 5 -1.614 -2.863 -16.893 42 HG21 THR 5 3HG2 THR 5 0.861 -2.328 -18.757 43 HG22 THR 5 1HG2 THR 5 1.504 -3.970 -19.005 44 HG23 THR 5 2HG2 THR 5 0.261 -3.325 -20.105 45 H TYR 6 H TYR 6 -0.693 -5.462 -21.317 46 HA TYR 6 HA TYR 6 0.422 -8.026 -20.418 47 HD1 TYR 6 HD1 TYR 6 -1.115 -8.150 -24.829 48 HD2 TYR 6 HD2 TYR 6 0.291 -10.329 -21.426 49 HE1 TYR 6 HE1 TYR 6 -0.238 -9.984 -26.356 50 HE2 TYR 6 HE2 TYR 6 1.164 -12.155 -22.964 51 HH TYR 6 HH TYR 6 1.166 -12.937 -25.005 52 HB2 TYR 6 1HB TYR 6 -1.764 -8.452 -21.476 53 HB3 TYR 6 2HB TYR 6 -1.458 -7.260 -22.724 54 H ASN 7 H ASN 7 2.341 -6.373 -20.466 55 HA ASN 7 HA ASN 7 4.082 -5.499 -21.452 56 HB2 ASN 7 1HB ASN 7 3.853 -7.902 -23.338 57 HB3 ASN 7 2HB ASN 7 5.324 -7.030 -22.954 58 HD21 ASN 7 2HD2 ASN 7 4.087 -10.122 -20.709 59 HD22 ASN 7 1HD2 ASN 7 3.457 -9.672 -22.259 60 H GLY 8 H GLY 8 1.996 -4.053 -22.375 61 HA2 GLY 8 1HA GLY 8 2.776 -3.130 -24.910 62 HA3 GLY 8 2HA GLY 8 1.381 -4.173 -25.108 63 H ILE 9 H ILE 9 -0.520 -3.068 -25.159 64 HA ILE 9 HA ILE 9 -0.645 -0.562 -23.654 65 HB ILE 9 HB ILE 9 -2.541 -0.034 -25.114 66 HG12 ILE 9 1HG1 ILE 9 -2.248 -1.881 -27.223 67 HG13 ILE 9 2HG1 ILE 9 -2.359 -2.849 -25.766 68 HG21 ILE 9 1HG2 ILE 9 -0.021 0.375 -25.644 69 HG22 ILE 9 2HG2 ILE 9 -0.283 -0.833 -26.924 70 HG23 ILE 9 3HG2 ILE 9 -1.250 0.661 -26.898 71 HD11 ILE 9 3HD1 ILE 9 -4.412 -1.559 -25.092 72 HD12 ILE 9 1HD1 ILE 9 -4.318 -0.675 -26.633 73 HD13 ILE 9 2HD1 ILE 9 -4.613 -2.430 -26.631 74 H THR 10 H THR 10 -2.056 -0.282 -21.964 75 HA THR 10 HA THR 10 -3.133 -2.597 -20.759 76 HB THR 10 HB THR 10 -3.519 0.402 -20.266 77 HG1 THR 10 HG1 THR 10 -1.331 -0.577 -20.102 78 HG21 THR 10 3HG2 THR 10 -5.129 -1.507 -19.161 79 HG22 THR 10 1HG2 THR 10 -3.717 -1.659 -18.088 80 HG23 THR 10 2HG2 THR 10 -4.554 -0.096 -18.241 81 H TYR 11 H TYR 11 -5.314 -3.203 -20.360 82 HA TYR 11 HA TYR 11 -7.112 -2.236 -22.478 83 HD1 TYR 11 HD1 TYR 11 -6.513 -6.939 -22.364 84 HD2 TYR 11 HD2 TYR 11 -5.599 -2.948 -23.605 85 HE1 TYR 11 HE1 TYR 11 -4.936 -7.845 -24.140 86 HE2 TYR 11 HE2 TYR 11 -4.025 -3.868 -25.377 87 HH TYR 11 HH TYR 11 -2.660 -6.014 -25.630 88 HB2 TYR 11 1HB TYR 11 -6.909 -4.864 -20.877 89 HB3 TYR 11 2HB TYR 11 -8.121 -4.565 -22.107 90 H GLU 12 H GLU 12 -7.904 -0.457 -21.173 91 HA GLU 12 HA GLU 12 -8.883 -0.897 -18.596 92 HE2 GLU 12 HE2 GLU 12 -10.284 3.315 -16.896 93 HB2 GLU 12 1HB GLU 12 -8.359 1.311 -20.162 94 HB3 GLU 12 2HB GLU 12 -10.111 1.308 -20.173 95 HG2 GLU 12 1HG GLU 12 -10.207 1.349 -17.735 96 HG3 GLU 12 2HG GLU 12 -8.482 1.067 -17.605 97 H GLY 13 H GLY 13 -10.183 -1.454 -21.819 98 HA2 GLY 13 1HA GLY 13 -12.131 -2.308 -22.541 99 HA3 GLY 13 2HA GLY 13 -12.326 -2.996 -20.940 100 H GLY 14 H GLY 14 -13.646 -0.845 -23.203 101 HA2 GLY 14 1HA GLY 14 -15.787 0.073 -22.820 102 HA3 GLY 14 2HA GLY 14 -15.386 0.318 -21.132 103 H GLY 15 H GLY 15 -15.393 2.497 -20.747 104 HA2 GLY 15 1HA GLY 15 -13.531 4.144 -22.269 105 HA3 GLY 15 2HA GLY 15 -15.222 4.590 -22.367 106 H GLY 16 H GLY 16 -16.401 4.609 -20.081 107 HA2 GLY 16 1HA GLY 16 -15.540 6.671 -18.578 108 HA3 GLY 16 2HA GLY 16 -16.505 5.352 -17.946 109 H GLY 17 H GLY 17 -14.486 6.902 -16.487 110 HA2 GLY 17 1HA GLY 17 -13.331 5.411 -14.760 111 HA3 GLY 17 2HA GLY 17 -12.339 4.916 -16.117 112 H GLY 18 H GLY 18 -11.271 6.193 -13.792 113 HA2 GLY 18 1HA GLY 18 -9.676 7.741 -13.383 114 HA3 GLY 18 2HA GLY 18 -9.837 8.333 -15.025 115 H GLY 19 H GLY 19 -9.846 9.540 -12.086 116 HA2 GLY 19 1HA GLY 19 -11.146 11.882 -12.573 117 HA3 GLY 19 2HA GLY 19 -12.399 10.849 -11.914 118 H GLY 20 H GLY 20 -11.622 9.505 -9.858 119 HA2 GLY 20 1HA GLY 20 -10.018 11.317 -8.155 120 HA3 GLY 20 2HA GLY 20 -11.513 10.576 -7.618 121 H SER 21 H SER 21 -10.324 9.539 -5.859 122 HA SER 21 HA SER 21 -8.427 7.535 -6.728 123 HG SER 21 HG SER 21 -6.496 8.463 -4.816 124 HB2 SER 21 1HB SER 21 -9.173 8.673 -4.008 125 HB3 SER 21 2HB SER 21 -8.157 7.253 -4.164 126 H ALA 22 H ALA 22 -9.443 5.668 -7.416 127 HA ALA 22 HA ALA 22 -11.955 4.879 -6.300 128 HB1 ALA 22 3HB ALA 22 -10.013 3.641 -8.284 129 HB2 ALA 22 1HB ALA 22 -11.555 2.881 -7.822 130 HB3 ALA 22 2HB ALA 22 -11.551 4.467 -8.631 131 H ALA 23 H ALA 23 -8.707 3.243 -6.480 132 HA ALA 23 HA ALA 23 -9.419 1.914 -3.959 133 HB1 ALA 23 3HB ALA 23 -7.893 0.147 -4.665 134 HB2 ALA 23 1HB ALA 23 -9.064 0.464 -5.967 135 HB3 ALA 23 2HB ALA 23 -7.404 1.094 -6.090 136 H GLU 24 H GLU 24 -8.212 4.709 -4.576 137 HA GLU 24 HA GLU 24 -5.732 4.275 -3.104 138 HE2 GLU 24 HE2 GLU 24 -2.645 4.244 -5.721 139 HB2 GLU 24 1HB GLU 24 -6.542 6.477 -5.044 140 HB3 GLU 24 2HB GLU 24 -5.132 6.605 -4.011 141 HG2 GLU 24 1HG GLU 24 -4.733 4.101 -5.087 142 HG3 GLU 24 2HG GLU 24 -5.579 4.881 -6.409 143 H ALA 25 H ALA 25 -5.183 5.918 -1.428 144 HA ALA 25 HA ALA 25 -5.674 7.086 0.384 145 HB1 ALA 25 3HB ALA 25 -6.329 8.762 -1.372 146 HB2 ALA 25 1HB ALA 25 -8.009 8.191 -1.225 147 HB3 ALA 25 2HB ALA 25 -7.204 8.956 0.166 148 H TYR 26 H TYR 26 -6.915 4.377 -0.190 149 HA TYR 26 HA TYR 26 -9.000 4.578 1.866 150 HD1 TYR 26 HD1 TYR 26 -8.675 2.000 -2.123 151 HD2 TYR 26 HD2 TYR 26 -10.277 1.608 1.825 152 HE1 TYR 26 HE1 TYR 26 -8.677 -0.530 -2.367 153 HE2 TYR 26 HE2 TYR 26 -10.273 -0.922 1.567 154 HH TYR 26 HH TYR 26 -10.385 -2.488 -0.810 155 HB2 TYR 26 1HB TYR 26 -10.486 3.801 0.259 156 HB3 TYR 26 2HB TYR 26 -9.215 3.921 -0.941 157 H ALA 27 H ALA 27 -6.835 2.366 -0.033 158 HA ALA 27 HA ALA 27 -6.949 0.299 1.875 159 HB1 ALA 27 3HB ALA 27 -6.166 -0.616 -0.040 160 HB2 ALA 27 1HB ALA 27 -5.551 0.945 -0.636 161 HB3 ALA 27 2HB ALA 27 -4.571 -0.026 0.488 162 H LYS 28 H LYS 28 -5.556 3.413 1.980 163 HA LYS 28 HA LYS 28 -3.315 2.605 3.628 164 HB2 LYS 28 1HB LYS 28 -2.592 4.846 3.473 165 HB3 LYS 28 2HB LYS 28 -3.200 4.432 1.883 166 HG2 LYS 28 1HG LYS 28 -5.414 5.497 2.499 167 HG3 LYS 28 2HG LYS 28 -4.717 5.988 4.031 168 HD2 LYS 28 1HD LYS 28 -3.363 6.735 1.415 169 HD3 LYS 28 2HD LYS 28 -4.701 7.687 2.025 170 HE2 LYS 28 1HE LYS 28 -3.512 8.251 4.054 171 HE3 LYS 28 2HE LYS 28 -2.287 7.032 3.764 172 HZ1 LYS 28 2HZ LYS 28 -1.746 8.353 1.675 173 HZ3 LYS 28 1HZ LYS 28 -1.349 9.079 3.077 174 H ARG 29 H ARG 29 -6.357 4.561 3.922 175 HA ARG 29 HA ARG 29 -6.042 4.967 6.646 176 HE ARG 29 HE ARG 29 -7.060 8.793 3.661 177 HB2 ARG 29 1HB ARG 29 -8.724 4.825 5.198 178 HB3 ARG 29 2HB ARG 29 -8.318 5.807 6.591 179 HG2 ARG 29 1HG ARG 29 -6.511 6.898 5.019 180 HG3 ARG 29 2HG ARG 29 -7.424 6.172 3.711 181 HD2 ARG 29 1HD ARG 29 -9.441 7.396 4.324 182 HD3 ARG 29 2HD ARG 29 -8.731 7.935 5.833 183 HH11 ARG 29 1HH1 ARG 29 -10.212 9.499 5.119 184 HH12 ARG 29 2HH1 ARG 29 -10.227 11.147 4.588 185 HH21 ARG 29 1HH2 ARG 29 -8.375 11.990 3.321 186 H ILE 30 H ILE 30 -7.768 2.462 4.703 187 HA ILE 30 HA ILE 30 -9.290 1.185 6.463 188 HB ILE 30 HB ILE 30 -7.381 0.049 4.431 189 HG12 ILE 30 1HG1 ILE 30 -9.724 1.516 4.161 190 HG13 ILE 30 2HG1 ILE 30 -8.940 0.553 2.925 191 HG21 ILE 30 1HG2 ILE 30 -8.717 -2.039 4.554 192 HG22 ILE 30 2HG2 ILE 30 -7.764 -1.719 6.022 193 HG23 ILE 30 3HG2 ILE 30 -9.516 -1.406 6.013 194 HD11 ILE 30 3HD1 ILE 30 -10.970 -0.570 4.909 195 HD12 ILE 30 1HD1 ILE 30 -11.375 -0.020 3.265 196 HD13 ILE 30 2HD1 ILE 30 -10.283 -1.407 3.496 197 H ALA 31 H ALA 31 -5.688 0.868 6.277 198 HA ALA 31 HA ALA 31 -5.289 -1.024 8.179 199 HB1 ALA 31 3HB ALA 31 -3.083 -0.171 8.327 200 HB2 ALA 31 1HB ALA 31 -3.632 0.289 6.697 201 HB3 ALA 31 2HB ALA 31 -3.614 1.497 8.004 202 H GLU 32 H GLU 32 -5.539 2.560 8.751 203 HA GLU 32 HA GLU 32 -5.295 2.504 11.443 204 HE2 GLU 32 HE2 GLU 32 -7.123 6.807 8.650 205 HB2 GLU 32 1HB GLU 32 -5.890 4.714 11.330 206 HB3 GLU 32 2HB GLU 32 -5.759 4.441 9.604 207 HG2 GLU 32 1HG GLU 32 -8.201 3.952 9.481 208 HG3 GLU 32 2HG GLU 32 -8.343 4.176 11.213 209 H ALA 33 H ALA 33 -8.322 2.119 9.484 210 HA ALA 33 HA ALA 33 -10.106 1.956 11.581 211 HB1 ALA 33 3HB ALA 33 -11.354 0.442 9.837 212 HB2 ALA 33 1HB ALA 33 -11.030 2.147 9.441 213 HB3 ALA 33 2HB ALA 33 -9.995 0.866 8.768 214 H MET 34 H MET 34 -8.369 -0.739 9.863 215 HA MET 34 HA MET 34 -9.358 -2.718 11.524 216 HB2 MET 34 1HB MET 34 -6.959 -2.400 9.684 217 HB3 MET 34 2HB MET 34 -7.067 -3.844 10.670 218 HG2 MET 34 1HG MET 34 -9.663 -3.465 9.517 219 HG3 MET 34 2HG MET 34 -8.508 -3.202 8.226 220 HE1 MET 34 3HE MET 34 -9.773 -5.207 10.997 221 HE2 MET 34 1HE MET 34 -9.560 -6.908 10.520 222 HE3 MET 34 2HE MET 34 -8.255 -6.055 11.378 223 H ALA 35 H ALA 35 -7.165 -0.182 12.219 224 HA ALA 35 HA ALA 35 -5.661 -1.699 14.179 225 HB1 ALA 35 3HB ALA 35 -5.406 0.817 12.710 226 HB2 ALA 35 1HB ALA 35 -5.084 1.028 14.448 227 HB3 ALA 35 2HB ALA 35 -4.154 -0.164 13.508 228 H LYS 36 H LYS 36 -7.617 -2.340 15.422 229 HA LYS 36 HA LYS 36 -8.075 -0.430 17.507 230 HB2 LYS 36 1HB LYS 36 -10.500 -0.344 17.296 231 HB3 LYS 36 2HB LYS 36 -9.727 0.344 15.882 232 HG2 LYS 36 1HG LYS 36 -10.419 -1.374 14.484 233 HG3 LYS 36 2HG LYS 36 -10.325 -2.589 15.743 234 HD2 LYS 36 1HD LYS 36 -12.637 -2.419 15.534 235 HD3 LYS 36 2HD LYS 36 -12.367 -1.233 16.796 236 HE2 LYS 36 1HE LYS 36 -11.976 0.154 14.330 237 HE3 LYS 36 2HE LYS 36 -13.407 -0.831 14.101 238 HZ1 LYS 36 2HZ LYS 36 -13.781 1.423 15.151 239 HZ3 LYS 36 1HZ LYS 36 -13.059 0.872 16.502 240 H GLY 37 H GLY 37 -8.581 -1.460 19.445 241 HA2 GLY 37 1HA GLY 37 -8.440 -3.231 20.852 242 HA3 GLY 37 2HA GLY 37 -9.834 -3.780 19.943 Start of MODEL 15 1 HA ARG 1 HA ARG 1 -6.285 -2.541 -28.021 2 HE ARG 1 HE ARG 1 -3.630 -3.521 -32.787 3 H1 ARG 1 1H ARG 1 -7.926 -1.066 -29.864 4 HB2 ARG 1 1HB ARG 1 -5.735 -0.464 -30.178 5 HB3 ARG 1 2HB ARG 1 -4.484 -0.906 -29.033 6 HG2 ARG 1 1HG ARG 1 -4.125 -2.937 -30.021 7 HG3 ARG 1 2HG ARG 1 -5.838 -3.266 -30.186 8 HD2 ARG 1 1HD ARG 1 -5.805 -2.662 -32.377 9 HD3 ARG 1 2HD ARG 1 -5.119 -1.098 -31.986 10 HH11 ARG 1 1HH1 ARG 1 -3.444 -0.234 -31.477 11 HH12 ARG 1 2HH1 ARG 1 -1.769 -0.039 -31.870 12 HH21 ARG 1 1HH2 ARG 1 -0.599 -1.832 -32.946 13 H GLY 2 H GLY 2 -6.488 -1.852 -25.895 14 HA2 GLY 2 1HA GLY 2 -6.255 1.055 -25.415 15 HA3 GLY 2 2HA GLY 2 -7.442 0.075 -24.579 16 H LYS 3 H LYS 3 -6.233 -2.214 -23.804 17 HA LYS 3 HA LYS 3 -4.864 -1.638 -21.574 18 HB2 LYS 3 1HB LYS 3 -3.916 -3.980 -21.774 19 HB3 LYS 3 2HB LYS 3 -5.658 -3.833 -21.886 20 HG2 LYS 3 1HG LYS 3 -5.684 -4.661 -24.004 21 HG3 LYS 3 2HG LYS 3 -4.443 -3.542 -24.533 22 HD2 LYS 3 1HD LYS 3 -2.798 -5.113 -24.361 23 HD3 LYS 3 2HD LYS 3 -3.336 -5.625 -22.773 24 HE2 LYS 3 1HE LYS 3 -3.703 -7.552 -24.095 25 HE3 LYS 3 2HE LYS 3 -5.295 -6.822 -24.026 26 HZ1 LYS 3 2HZ LYS 3 -5.169 -6.928 -26.269 27 HZ3 LYS 3 1HZ LYS 3 -3.552 -7.116 -26.303 28 H TRP 4 H TRP 4 -3.059 -0.493 -21.165 29 HA TRP 4 HA TRP 4 -0.971 -0.530 -23.230 30 HD1 TRP 4 HD1 TRP 4 -3.920 2.200 -21.454 31 HE1 TRP 4 HE1 TRP 4 -4.342 3.000 -18.975 32 HE3 TRP 4 HE3 TRP 4 0.797 1.273 -19.795 33 HZ2 TRP 4 HZ2 TRP 4 -2.693 3.151 -16.650 34 HZ3 TRP 4 HZ3 TRP 4 1.308 1.774 -17.408 35 HH2 TRP 4 HH2 TRP 4 -0.346 2.682 -15.854 36 HB2 TRP 4 1HB TRP 4 -0.212 1.583 -22.131 37 HB3 TRP 4 2HB TRP 4 -1.751 1.670 -22.965 38 H THR 5 H THR 5 0.507 -2.102 -22.709 39 HA THR 5 HA THR 5 0.882 -2.989 -20.037 40 HB THR 5 HB THR 5 2.020 -3.513 -22.783 41 HG1 THR 5 HG1 THR 5 1.214 -5.160 -20.497 42 HG21 THR 5 3HG2 THR 5 3.432 -5.324 -21.435 43 HG22 THR 5 1HG2 THR 5 4.120 -3.705 -21.707 44 HG23 THR 5 2HG2 THR 5 3.383 -4.106 -20.137 45 H TYR 6 H TYR 6 2.517 -2.628 -18.558 46 HA TYR 6 HA TYR 6 4.294 -0.384 -19.244 47 HD1 TYR 6 HD1 TYR 6 3.867 2.106 -18.082 48 HD2 TYR 6 HD2 TYR 6 4.573 -0.714 -14.944 49 HE1 TYR 6 HE1 TYR 6 5.339 3.798 -16.884 50 HE2 TYR 6 HE2 TYR 6 6.043 0.987 -13.756 51 HH TYR 6 HH TYR 6 6.703 4.144 -15.236 52 HB2 TYR 6 1HB TYR 6 2.339 0.075 -17.632 53 HB3 TYR 6 2HB TYR 6 2.953 -1.192 -16.588 54 H ASN 7 H ASN 7 6.035 -1.792 -19.824 55 HA ASN 7 HA ASN 7 7.867 -2.884 -19.426 56 HB2 ASN 7 1HB ASN 7 7.601 -1.416 -17.122 57 HB3 ASN 7 2HB ASN 7 7.557 -3.029 -16.438 58 HD21 ASN 7 2HD2 ASN 7 10.998 -1.352 -17.828 59 HD22 ASN 7 1HD2 ASN 7 9.454 -0.566 -17.848 60 H GLY 8 H GLY 8 5.664 -4.434 -20.047 61 HA2 GLY 8 1HA GLY 8 5.457 -6.758 -20.101 62 HA3 GLY 8 2HA GLY 8 6.146 -6.874 -18.494 63 H ILE 9 H ILE 9 4.730 -5.362 -16.814 64 HA ILE 9 HA ILE 9 2.500 -6.705 -16.205 65 HB ILE 9 HB ILE 9 3.775 -4.371 -15.362 66 HG12 ILE 9 1HG1 ILE 9 2.872 -6.431 -14.114 67 HG13 ILE 9 2HG1 ILE 9 2.843 -4.882 -13.294 68 HG21 ILE 9 1HG2 ILE 9 2.008 -2.792 -14.894 69 HG22 ILE 9 2HG2 ILE 9 2.108 -3.072 -16.649 70 HG23 ILE 9 3HG2 ILE 9 0.812 -3.837 -15.699 71 HD11 ILE 9 3HD1 ILE 9 0.534 -4.710 -13.379 72 HD12 ILE 9 1HD1 ILE 9 0.420 -5.595 -14.919 73 HD13 ILE 9 2HD1 ILE 9 0.679 -6.484 -13.399 74 H THR 10 H THR 10 0.391 -6.894 -16.864 75 HA THR 10 HA THR 10 -0.326 -5.303 -19.231 76 HB THR 10 HB THR 10 -1.780 -7.810 -18.381 77 HG1 THR 10 HG1 THR 10 0.117 -8.929 -18.606 78 HG21 THR 10 3HG2 THR 10 -1.922 -8.190 -20.753 79 HG22 THR 10 1HG2 THR 10 -2.203 -6.442 -20.563 80 HG23 THR 10 2HG2 THR 10 -0.610 -7.035 -21.091 81 H TYR 11 H TYR 11 -1.713 -3.678 -18.987 82 HA TYR 11 HA TYR 11 -3.406 -3.728 -16.594 83 HD1 TYR 11 HD1 TYR 11 -1.213 -3.514 -16.052 84 HD2 TYR 11 HD2 TYR 11 -2.379 0.581 -16.475 85 HE1 TYR 11 HE1 TYR 11 0.218 -2.891 -14.045 86 HE2 TYR 11 HE2 TYR 11 -0.944 1.190 -14.467 87 HH TYR 11 HH TYR 11 1.232 0.058 -13.402 88 HB2 TYR 11 1HB TYR 11 -2.170 -1.685 -18.497 89 HB3 TYR 11 2HB TYR 11 -3.609 -1.215 -17.614 90 H GLU 12 H GLU 12 -5.139 -5.041 -17.314 91 HA GLU 12 HA GLU 12 -6.403 -4.251 -19.780 92 HE2 GLU 12 HE2 GLU 12 -7.524 -6.684 -21.826 93 HB2 GLU 12 1HB GLU 12 -6.127 -6.647 -19.368 94 HB3 GLU 12 2HB GLU 12 -6.948 -6.525 -17.825 95 HG2 GLU 12 1HG GLU 12 -9.050 -6.391 -18.788 96 HG3 GLU 12 2HG GLU 12 -8.479 -5.489 -20.178 97 H GLY 13 H GLY 13 -6.391 -2.327 -17.581 98 HA2 GLY 13 1HA GLY 13 -7.854 -0.836 -16.729 99 HA3 GLY 13 2HA GLY 13 -9.160 -1.672 -17.545 100 H GLY 14 H GLY 14 -10.682 -1.837 -15.898 101 HA2 GLY 14 1HA GLY 14 -11.609 -2.456 -13.940 102 HA3 GLY 14 2HA GLY 14 -10.645 -3.908 -14.121 103 H GLY 15 H GLY 15 -11.037 -0.868 -12.420 104 HA2 GLY 15 1HA GLY 15 -10.030 -1.176 -10.106 105 HA3 GLY 15 2HA GLY 15 -8.507 -1.304 -10.963 106 H GLY 16 H GLY 16 -11.253 0.856 -10.179 107 HA2 GLY 16 1HA GLY 16 -9.557 3.157 -10.950 108 HA3 GLY 16 2HA GLY 16 -11.299 3.118 -11.142 109 H GLY 17 H GLY 17 -8.743 4.055 -9.099 110 HA2 GLY 17 1HA GLY 17 -10.540 5.005 -7.090 111 HA3 GLY 17 2HA GLY 17 -9.601 3.637 -6.525 112 H GLY 18 H GLY 18 -9.135 6.736 -8.376 113 HA2 GLY 18 1HA GLY 18 -6.700 7.189 -6.762 114 HA3 GLY 18 2HA GLY 18 -6.720 7.432 -8.497 115 H GLY 19 H GLY 19 -6.172 9.702 -8.158 116 HA2 GLY 19 1HA GLY 19 -7.151 11.801 -8.510 117 HA3 GLY 19 2HA GLY 19 -8.563 11.312 -7.595 118 H GLY 20 H GLY 20 -8.739 12.397 -5.689 119 HA2 GLY 20 1HA GLY 20 -6.370 13.523 -4.449 120 HA3 GLY 20 2HA GLY 20 -8.044 13.771 -3.993 121 H SER 21 H SER 21 -9.183 11.543 -3.251 122 HA SER 21 HA SER 21 -9.341 10.267 -1.474 123 HG SER 21 HG SER 21 -7.376 8.895 -4.274 124 HB2 SER 21 1HB SER 21 -6.741 8.929 -2.225 125 HB3 SER 21 2HB SER 21 -8.253 8.197 -1.725 126 H ALA 22 H ALA 22 -8.278 12.667 -0.631 127 HA ALA 22 HA ALA 22 -5.795 12.377 0.702 128 HB1 ALA 22 3HB ALA 22 -7.799 14.410 0.195 129 HB2 ALA 22 1HB ALA 22 -7.319 14.436 1.909 130 HB3 ALA 22 2HB ALA 22 -6.085 14.604 0.637 131 H ALA 23 H ALA 23 -5.723 10.602 2.084 132 HA ALA 23 HA ALA 23 -6.026 9.477 3.966 133 HB1 ALA 23 3HB ALA 23 -7.686 11.853 4.897 134 HB2 ALA 23 1HB ALA 23 -6.906 10.625 5.922 135 HB3 ALA 23 2HB ALA 23 -5.910 11.765 4.986 136 H GLU 24 H GLU 24 -7.934 9.418 1.607 137 HA GLU 24 HA GLU 24 -10.219 8.340 3.067 138 HE2 GLU 24 HE2 GLU 24 -13.743 12.150 2.279 139 HB2 GLU 24 1HB GLU 24 -10.105 9.547 0.268 140 HB3 GLU 24 2HB GLU 24 -11.518 8.754 0.936 141 HG2 GLU 24 1HG GLU 24 -10.990 10.500 2.970 142 HG3 GLU 24 2HG GLU 24 -10.324 11.414 1.632 143 H ALA 25 H ALA 25 -8.009 7.959 0.236 144 HA ALA 25 HA ALA 25 -8.978 5.556 -0.710 145 HB1 ALA 25 3HB ALA 25 -6.611 7.232 -0.977 146 HB2 ALA 25 1HB ALA 25 -6.181 5.505 -1.029 147 HB3 ALA 25 2HB ALA 25 -7.379 6.160 -2.172 148 H TYR 26 H TYR 26 -7.093 6.321 2.189 149 HA TYR 26 HA TYR 26 -6.372 3.554 2.611 150 HD1 TYR 26 HD1 TYR 26 -6.149 7.683 5.012 151 HD2 TYR 26 HD2 TYR 26 -6.299 3.496 5.878 152 HE1 TYR 26 HE1 TYR 26 -6.883 8.194 7.392 153 HE2 TYR 26 HE2 TYR 26 -7.033 4.021 8.255 154 HH TYR 26 HH TYR 26 -8.084 5.757 9.469 155 HB2 TYR 26 1HB TYR 26 -4.809 4.683 3.911 156 HB3 TYR 26 2HB TYR 26 -5.527 6.185 3.363 157 H ALA 27 H ALA 27 -8.639 6.024 3.949 158 HA ALA 27 HA ALA 27 -9.601 4.249 5.967 159 HB1 ALA 27 3HB ALA 27 -9.545 6.755 6.128 160 HB2 ALA 27 1HB ALA 27 -10.809 6.821 4.877 161 HB3 ALA 27 2HB ALA 27 -11.151 6.056 6.447 162 H LYS 28 H LYS 28 -9.931 4.350 2.597 163 HA LYS 28 HA LYS 28 -12.709 3.595 2.529 164 HB2 LYS 28 1HB LYS 28 -12.341 4.655 0.578 165 HB3 LYS 28 2HB LYS 28 -10.615 4.354 0.610 166 HG2 LYS 28 1HG LYS 28 -11.520 3.128 -1.273 167 HG3 LYS 28 2HG LYS 28 -11.072 1.949 -0.056 168 HD2 LYS 28 1HD LYS 28 -13.246 1.308 0.320 169 HD3 LYS 28 2HD LYS 28 -13.856 2.948 0.225 170 HE2 LYS 28 1HE LYS 28 -14.705 2.364 -1.807 171 HE3 LYS 28 2HE LYS 28 -13.061 2.475 -2.404 172 HZ1 LYS 28 2HZ LYS 28 -14.007 -0.034 -1.167 173 HZ3 LYS 28 1HZ LYS 28 -12.784 0.167 -2.223 174 H ARG 29 H ARG 29 -9.469 2.044 2.210 175 HA ARG 29 HA ARG 29 -10.644 -0.484 1.729 176 HE ARG 29 HE ARG 29 -7.730 -0.901 -2.082 177 HB2 ARG 29 1HB ARG 29 -7.781 0.085 2.631 178 HB3 ARG 29 2HB ARG 29 -8.348 -1.319 1.750 179 HG2 ARG 29 1HG ARG 29 -8.483 1.530 0.659 180 HG3 ARG 29 2HG ARG 29 -7.170 0.421 0.317 181 HD2 ARG 29 1HD ARG 29 -9.306 -1.174 -0.334 182 HD3 ARG 29 2HD ARG 29 -9.988 0.399 -0.698 183 HH11 ARG 29 1HH1 ARG 29 -9.533 2.107 -1.572 184 HH12 ARG 29 2HH1 ARG 29 -8.971 2.838 -3.038 185 HH21 ARG 29 1HH2 ARG 29 -7.476 1.618 -4.460 186 H ILE 30 H ILE 30 -9.179 1.268 4.517 187 HA ILE 30 HA ILE 30 -8.815 -0.617 6.362 188 HB ILE 30 HB ILE 30 -10.133 2.078 6.651 189 HG12 ILE 30 1HG1 ILE 30 -7.556 1.405 5.935 190 HG13 ILE 30 2HG1 ILE 30 -8.079 2.945 6.588 191 HG21 ILE 30 1HG2 ILE 30 -9.105 0.239 8.830 192 HG22 ILE 30 2HG2 ILE 30 -9.560 1.946 9.049 193 HG23 ILE 30 3HG2 ILE 30 -10.790 0.752 8.569 194 HD11 ILE 30 3HD1 ILE 30 -7.584 2.191 8.885 195 HD12 ILE 30 1HD1 ILE 30 -7.146 0.577 8.276 196 HD13 ILE 30 2HD1 ILE 30 -6.148 1.989 7.853 197 H ALA 31 H ALA 31 -11.976 0.520 5.117 198 HA ALA 31 HA ALA 31 -13.732 -0.445 6.890 199 HB1 ALA 31 3HB ALA 31 -13.824 0.459 4.311 200 HB2 ALA 31 1HB ALA 31 -14.304 -1.240 4.088 201 HB3 ALA 31 2HB ALA 31 -15.227 -0.193 5.192 202 H GLU 32 H GLU 32 -12.215 -2.438 4.250 203 HA GLU 32 HA GLU 32 -13.341 -4.806 4.928 204 HE2 GLU 32 HE2 GLU 32 -8.110 -3.535 3.086 205 HB2 GLU 32 1HB GLU 32 -11.743 -5.799 3.525 206 HB3 GLU 32 2HB GLU 32 -11.753 -4.140 2.961 207 HG2 GLU 32 1HG GLU 32 -9.769 -3.633 4.394 208 HG3 GLU 32 2HG GLU 32 -9.764 -5.285 4.979 209 H ALA 33 H ALA 33 -10.255 -3.368 6.180 210 HA ALA 33 HA ALA 33 -9.540 -5.493 7.815 211 HB1 ALA 33 3HB ALA 33 -8.033 -3.926 8.826 212 HB2 ALA 33 1HB ALA 33 -8.183 -3.453 7.117 213 HB3 ALA 33 2HB ALA 33 -9.059 -2.544 8.373 214 H MET 34 H MET 34 -10.960 -2.346 8.957 215 HA MET 34 HA MET 34 -11.615 -3.253 11.437 216 HB2 MET 34 1HB MET 34 -13.142 -1.283 11.496 217 HB3 MET 34 2HB MET 34 -11.654 -0.861 10.672 218 HG2 MET 34 1HG MET 34 -12.675 -0.801 8.551 219 HG3 MET 34 2HG MET 34 -13.947 -1.915 9.009 220 HE1 MET 34 3HE MET 34 -15.307 -0.543 11.785 221 HE2 MET 34 1HE MET 34 -16.590 0.017 10.686 222 HE3 MET 34 2HE MET 34 -15.781 -1.540 10.389 223 H ALA 35 H ALA 35 -13.068 -4.073 8.390 224 HA ALA 35 HA ALA 35 -15.660 -4.678 9.451 225 HB1 ALA 35 3HB ALA 35 -15.667 -4.083 7.183 226 HB2 ALA 35 1HB ALA 35 -14.215 -5.047 6.823 227 HB3 ALA 35 2HB ALA 35 -15.771 -5.859 7.120 228 H LYS 36 H LYS 36 -12.673 -6.490 8.518 229 HA LYS 36 HA LYS 36 -12.180 -8.662 8.734 230 HB2 LYS 36 1HB LYS 36 -12.198 -9.381 11.143 231 HB3 LYS 36 2HB LYS 36 -11.419 -7.844 10.826 232 HG2 LYS 36 1HG LYS 36 -13.509 -6.644 11.503 233 HG3 LYS 36 2HG LYS 36 -14.291 -8.180 11.817 234 HD2 LYS 36 1HD LYS 36 -11.651 -7.662 13.176 235 HD3 LYS 36 2HD LYS 36 -13.048 -6.781 13.763 236 HE2 LYS 36 1HE LYS 36 -14.077 -9.349 13.530 237 HE3 LYS 36 2HE LYS 36 -12.416 -9.680 13.978 238 HZ1 LYS 36 2HZ LYS 36 -13.166 -9.269 16.060 239 HZ3 LYS 36 1HZ LYS 36 -14.501 -8.476 15.568 240 H GLY 37 H GLY 37 -14.461 -8.630 7.313 241 HA2 GLY 37 1HA GLY 37 -15.958 -10.889 8.467 242 HA3 GLY 37 2HA GLY 37 -16.817 -9.491 7.853 Start of MODEL 16 1 HA ARG 1 HA ARG 1 4.871 4.799 -16.203 2 HE ARG 1 HE ARG 1 4.879 6.829 -17.793 3 H1 ARG 1 1H ARG 1 4.852 3.812 -13.476 4 HB2 ARG 1 1HB ARG 1 6.403 5.676 -14.194 5 HB3 ARG 1 2HB ARG 1 7.381 4.276 -14.584 6 HG2 ARG 1 1HG ARG 1 8.326 5.972 -15.934 7 HG3 ARG 1 2HG ARG 1 7.282 5.119 -17.053 8 HD2 ARG 1 1HD ARG 1 5.775 7.208 -15.664 9 HD3 ARG 1 2HD ARG 1 7.208 7.890 -16.407 10 HH11 ARG 1 1HH1 ARG 1 8.372 7.337 -18.105 11 HH12 ARG 1 2HH1 ARG 1 8.339 7.362 -19.836 12 HH21 ARG 1 1HH2 ARG 1 6.249 7.081 -20.975 13 H GLY 2 H GLY 2 4.150 2.785 -17.192 14 HA2 GLY 2 1HA GLY 2 5.802 1.143 -18.375 15 HA3 GLY 2 2HA GLY 2 5.848 0.432 -16.773 16 H LYS 3 H LYS 3 4.595 -0.260 -19.609 17 HA LYS 3 HA LYS 3 1.873 -0.762 -18.653 18 HB2 LYS 3 1HB LYS 3 1.436 -1.242 -21.095 19 HB3 LYS 3 2HB LYS 3 1.817 0.420 -20.695 20 HG2 LYS 3 1HG LYS 3 4.009 0.279 -21.602 21 HG3 LYS 3 2HG LYS 3 4.047 -1.470 -21.499 22 HD2 LYS 3 1HD LYS 3 3.352 -1.583 -23.652 23 HD3 LYS 3 2HD LYS 3 1.826 -0.865 -23.174 24 HE2 LYS 3 1HE LYS 3 2.357 0.954 -24.421 25 HE3 LYS 3 2HE LYS 3 3.630 1.316 -23.272 26 HZ1 LYS 3 2HZ LYS 3 4.758 1.092 -25.291 27 HZ3 LYS 3 1HZ LYS 3 3.862 -0.164 -25.813 28 H TRP 4 H TRP 4 2.299 -2.534 -17.271 29 HA TRP 4 HA TRP 4 3.730 -4.792 -18.376 30 HD1 TRP 4 HD1 TRP 4 3.072 -2.160 -14.933 31 HE1 TRP 4 HE1 TRP 4 1.007 -1.779 -13.335 32 HE3 TRP 4 HE3 TRP 4 0.929 -6.697 -15.758 33 HZ2 TRP 4 HZ2 TRP 4 -1.241 -3.382 -12.612 34 HZ3 TRP 4 HZ3 TRP 4 -1.200 -7.209 -14.567 35 HH2 TRP 4 HH2 TRP 4 -2.283 -5.639 -13.039 36 HB2 TRP 4 1HB TRP 4 3.267 -5.791 -16.143 37 HB3 TRP 4 2HB TRP 4 4.212 -4.315 -16.119 38 H THR 5 H THR 5 2.635 -6.066 -19.816 39 HA THR 5 HA THR 5 -0.162 -6.065 -20.054 40 HB THR 5 HB THR 5 2.065 -7.920 -21.036 41 HG1 THR 5 HG1 THR 5 0.324 -5.862 -22.203 42 HG21 THR 5 3HG2 THR 5 0.276 -8.414 -22.858 43 HG22 THR 5 1HG2 THR 5 0.066 -9.247 -21.299 44 HG23 THR 5 2HG2 THR 5 -0.918 -7.814 -21.682 45 H TYR 6 H TYR 6 -1.733 -7.689 -19.600 46 HA TYR 6 HA TYR 6 -1.146 -9.965 -18.075 47 HD1 TYR 6 HD1 TYR 6 -3.827 -9.640 -15.539 48 HD2 TYR 6 HD2 TYR 6 0.424 -9.314 -15.180 49 HE1 TYR 6 HE1 TYR 6 -3.855 -11.298 -13.612 50 HE2 TYR 6 HE2 TYR 6 0.381 -10.973 -13.254 51 HH TYR 6 HH TYR 6 -1.169 -11.758 -11.592 52 HB2 TYR 6 1HB TYR 6 -0.779 -7.772 -16.551 53 HB3 TYR 6 2HB TYR 6 -2.531 -7.713 -16.533 54 H ASN 7 H ASN 7 -2.895 -11.339 -18.147 55 HA ASN 7 HA ASN 7 -4.933 -12.050 -18.426 56 HB2 ASN 7 1HB ASN 7 -5.418 -9.604 -17.178 57 HB3 ASN 7 2HB ASN 7 -6.341 -9.429 -18.658 58 HD21 ASN 7 2HD2 ASN 7 -9.021 -11.254 -17.493 59 HD22 ASN 7 1HD2 ASN 7 -8.360 -9.980 -18.463 60 H GLY 8 H GLY 8 -3.237 -11.593 -20.650 61 HA2 GLY 8 1HA GLY 8 -3.191 -11.306 -22.882 62 HA3 GLY 8 2HA GLY 8 -4.874 -11.794 -22.839 63 H ILE 9 H ILE 9 -3.425 -8.836 -21.357 64 HA ILE 9 HA ILE 9 -4.288 -7.144 -23.470 65 HB ILE 9 HB ILE 9 -5.912 -5.896 -21.913 66 HG12 ILE 9 1HG1 ILE 9 -7.072 -8.132 -20.682 67 HG13 ILE 9 2HG1 ILE 9 -5.361 -8.272 -20.328 68 HG21 ILE 9 1HG2 ILE 9 -7.163 -8.436 -22.818 69 HG22 ILE 9 2HG2 ILE 9 -7.622 -6.745 -23.135 70 HG23 ILE 9 3HG2 ILE 9 -6.277 -7.486 -24.035 71 HD11 ILE 9 3HD1 ILE 9 -7.310 -6.150 -19.501 72 HD12 ILE 9 1HD1 ILE 9 -5.943 -6.852 -18.602 73 HD13 ILE 9 2HD1 ILE 9 -5.647 -5.619 -19.851 74 H THR 10 H THR 10 -3.403 -5.045 -23.254 75 HA THR 10 HA THR 10 -1.431 -4.873 -21.097 76 HB THR 10 HB THR 10 -1.701 -3.214 -23.653 77 HG1 THR 10 HG1 THR 10 -0.640 -4.957 -24.602 78 HG21 THR 10 3HG2 THR 10 0.297 -3.476 -21.454 79 HG22 THR 10 1HG2 THR 10 0.981 -3.623 -23.091 80 HG23 THR 10 2HG2 THR 10 0.081 -2.158 -22.631 81 H TYR 11 H TYR 11 -1.023 -2.712 -20.112 82 HA TYR 11 HA TYR 11 -3.613 -1.392 -19.665 83 HD1 TYR 11 HD1 TYR 11 -1.928 -2.416 -15.470 84 HD2 TYR 11 HD2 TYR 11 -4.046 -3.240 -19.095 85 HE1 TYR 11 HE1 TYR 11 -3.263 -4.227 -14.287 86 HE2 TYR 11 HE2 TYR 11 -5.374 -5.049 -17.899 87 HH TYR 11 HH TYR 11 -4.672 -5.863 -14.520 88 HB2 TYR 11 1HB TYR 11 -1.053 -1.903 -18.044 89 HB3 TYR 11 2HB TYR 11 -2.214 -0.701 -17.515 90 H GLU 12 H GLU 12 -3.739 0.451 -20.866 91 HA GLU 12 HA GLU 12 -1.369 1.822 -21.600 92 HE2 GLU 12 HE2 GLU 12 -3.108 3.723 -26.307 93 HB2 GLU 12 1HB GLU 12 -4.293 2.040 -22.167 94 HB3 GLU 12 2HB GLU 12 -3.387 3.535 -22.295 95 HG2 GLU 12 1HG GLU 12 -1.710 2.281 -23.775 96 HG3 GLU 12 2HG GLU 12 -2.820 0.925 -23.771 97 H GLY 13 H GLY 13 -3.464 1.822 -18.853 98 HA2 GLY 13 1HA GLY 13 -2.068 3.470 -17.252 99 HA3 GLY 13 2HA GLY 13 -3.059 4.602 -18.150 100 H GLY 14 H GLY 14 -3.233 1.573 -16.177 101 HA2 GLY 14 1HA GLY 14 -6.053 1.727 -15.778 102 HA3 GLY 14 2HA GLY 14 -4.906 0.708 -14.931 103 H GLY 15 H GLY 15 -7.191 2.287 -13.837 104 HA2 GLY 15 1HA GLY 15 -6.802 2.981 -11.462 105 HA3 GLY 15 2HA GLY 15 -5.702 4.177 -12.116 106 H GLY 16 H GLY 16 -9.084 2.977 -12.745 107 HA2 GLY 16 1HA GLY 16 -9.981 5.784 -12.682 108 HA3 GLY 16 2HA GLY 16 -10.382 4.762 -14.048 109 H GLY 17 H GLY 17 -10.412 4.576 -10.410 110 HA2 GLY 17 1HA GLY 17 -12.996 3.157 -10.616 111 HA3 GLY 17 2HA GLY 17 -11.837 2.984 -9.314 112 H GLY 18 H GLY 18 -13.857 5.498 -10.981 113 HA2 GLY 18 1HA GLY 18 -15.324 6.953 -9.993 114 HA3 GLY 18 2HA GLY 18 -14.763 6.473 -8.404 115 H GLY 19 H GLY 19 -15.040 9.146 -10.142 116 HA2 GLY 19 1HA GLY 19 -12.321 10.167 -9.969 117 HA3 GLY 19 2HA GLY 19 -13.736 10.984 -10.603 118 H GLY 20 H GLY 20 -15.599 11.105 -8.681 119 HA2 GLY 20 1HA GLY 20 -14.988 13.118 -7.019 120 HA3 GLY 20 2HA GLY 20 -16.170 11.884 -6.630 121 H SER 21 H SER 21 -15.281 9.786 -5.624 122 HA SER 21 HA SER 21 -14.250 8.797 -3.993 123 HG SER 21 HG SER 21 -10.819 10.348 -3.549 124 HB2 SER 21 1HB SER 21 -11.943 8.625 -4.117 125 HB3 SER 21 2HB SER 21 -12.262 9.368 -5.671 126 H ALA 22 H ALA 22 -15.862 10.953 -3.226 127 HA ALA 22 HA ALA 22 -14.703 12.926 -1.700 128 HB1 ALA 22 3HB ALA 22 -17.290 11.887 -2.249 129 HB2 ALA 22 1HB ALA 22 -17.141 11.968 -0.478 130 HB3 ALA 22 2HB ALA 22 -16.879 13.429 -1.461 131 H ALA 23 H ALA 23 -16.365 10.077 -0.199 132 HA ALA 23 HA ALA 23 -14.050 9.793 1.572 133 HB1 ALA 23 3HB ALA 23 -15.536 11.141 2.866 134 HB2 ALA 23 1HB ALA 23 -16.957 10.201 2.351 135 HB3 ALA 23 2HB ALA 23 -15.761 9.475 3.451 136 H GLU 24 H GLU 24 -14.875 8.320 -0.828 137 HA GLU 24 HA GLU 24 -15.902 5.880 0.367 138 HE2 GLU 24 HE2 GLU 24 -16.447 4.918 -5.673 139 HB2 GLU 24 1HB GLU 24 -16.701 5.272 -1.739 140 HB3 GLU 24 2HB GLU 24 -16.845 7.016 -1.817 141 HG2 GLU 24 1HG GLU 24 -14.634 7.151 -2.978 142 HG3 GLU 24 2HG GLU 24 -14.478 5.408 -2.890 143 H ALA 25 H ALA 25 -13.035 7.418 -0.951 144 HA ALA 25 HA ALA 25 -11.675 4.946 -1.493 145 HB1 ALA 25 3HB ALA 25 -10.027 6.298 -2.387 146 HB2 ALA 25 1HB ALA 25 -11.421 7.397 -2.516 147 HB3 ALA 25 2HB ALA 25 -10.266 7.579 -1.174 148 H TYR 26 H TYR 26 -12.230 7.112 1.230 149 HA TYR 26 HA TYR 26 -9.957 6.140 2.709 150 HD1 TYR 26 HD1 TYR 26 -11.256 6.247 5.751 151 HD2 TYR 26 HD2 TYR 26 -13.903 8.717 3.471 152 HE1 TYR 26 HE1 TYR 26 -13.039 6.008 7.548 153 HE2 TYR 26 HE2 TYR 26 -15.676 8.469 5.276 154 HH TYR 26 HH TYR 26 -15.576 6.132 7.591 155 HB2 TYR 26 1HB TYR 26 -10.513 8.079 3.869 156 HB3 TYR 26 2HB TYR 26 -11.764 8.343 2.670 157 H ALA 27 H ALA 27 -13.509 5.594 2.552 158 HA ALA 27 HA ALA 27 -13.634 4.025 4.889 159 HB1 ALA 27 3HB ALA 27 -15.606 3.386 2.820 160 HB2 ALA 27 1HB ALA 27 -15.839 4.118 4.426 161 HB3 ALA 27 2HB ALA 27 -15.404 5.142 3.036 162 H LYS 28 H LYS 28 -13.927 2.987 1.413 163 HA LYS 28 HA LYS 28 -13.759 0.334 1.728 164 HB2 LYS 28 1HB LYS 28 -12.985 0.205 -0.522 165 HB3 LYS 28 2HB LYS 28 -14.033 1.604 -0.409 166 HG2 LYS 28 1HG LYS 28 -12.066 3.103 -0.222 167 HG3 LYS 28 2HG LYS 28 -10.985 1.723 -0.227 168 HD2 LYS 28 1HD LYS 28 -12.778 1.573 -2.523 169 HD3 LYS 28 2HD LYS 28 -11.999 3.143 -2.485 170 HE2 LYS 28 1HE LYS 28 -9.796 2.179 -2.537 171 HE3 LYS 28 2HE LYS 28 -10.389 0.588 -2.104 172 HZ1 LYS 28 2HZ LYS 28 -11.595 0.583 -4.280 173 HZ3 LYS 28 1HZ LYS 28 -9.978 0.634 -4.458 174 H ARG 29 H ARG 29 -11.011 2.663 1.839 175 HA ARG 29 HA ARG 29 -9.062 0.693 2.015 176 HE ARG 29 HE ARG 29 -5.991 1.544 5.157 177 HB2 ARG 29 1HB ARG 29 -8.265 2.849 1.439 178 HB3 ARG 29 2HB ARG 29 -9.210 3.644 2.683 179 HG2 ARG 29 1HG ARG 29 -6.847 3.652 3.339 180 HG3 ARG 29 2HG ARG 29 -7.747 2.632 4.444 181 HD2 ARG 29 1HD ARG 29 -7.066 0.729 2.640 182 HD3 ARG 29 2HD ARG 29 -5.751 1.845 2.329 183 HH11 ARG 29 1HH1 ARG 29 -5.050 -0.373 2.330 184 HH12 ARG 29 2HH1 ARG 29 -3.975 -1.394 3.225 185 HH21 ARG 29 1HH2 ARG 29 -3.710 -1.041 5.581 186 H ILE 30 H ILE 30 -10.712 2.735 4.531 187 HA ILE 30 HA ILE 30 -9.473 2.021 6.777 188 HB ILE 30 HB ILE 30 -12.425 2.299 6.244 189 HG12 ILE 30 1HG1 ILE 30 -10.311 4.148 6.280 190 HG13 ILE 30 2HG1 ILE 30 -12.030 4.484 6.231 191 HG21 ILE 30 1HG2 ILE 30 -12.646 2.679 8.704 192 HG22 ILE 30 2HG2 ILE 30 -12.276 0.999 8.248 193 HG23 ILE 30 3HG2 ILE 30 -10.994 2.047 8.900 194 HD11 ILE 30 3HD1 ILE 30 -12.170 4.595 8.652 195 HD12 ILE 30 1HD1 ILE 30 -10.512 3.972 8.827 196 HD13 ILE 30 2HD1 ILE 30 -10.787 5.595 8.150 197 H ALA 31 H ALA 31 -12.128 0.051 5.265 198 HA ALA 31 HA ALA 31 -12.193 -2.029 6.976 199 HB1 ALA 31 3HB ALA 31 -12.295 -3.198 4.415 200 HB2 ALA 31 1HB ALA 31 -13.663 -2.560 5.358 201 HB3 ALA 31 2HB ALA 31 -12.829 -1.516 4.182 202 H GLU 32 H GLU 32 -9.886 -1.641 4.197 203 HA GLU 32 HA GLU 32 -8.546 -3.975 4.520 204 HE2 GLU 32 HE2 GLU 32 -8.785 -2.291 -0.192 205 HB2 GLU 32 1HB GLU 32 -7.383 -1.269 3.724 206 HB3 GLU 32 2HB GLU 32 -6.634 -2.820 3.401 207 HG2 GLU 32 1HG GLU 32 -9.235 -3.161 2.410 208 HG3 GLU 32 2HG GLU 32 -8.876 -1.493 2.006 209 H ALA 33 H ALA 33 -7.749 -0.761 6.024 210 HA ALA 33 HA ALA 33 -5.549 -1.555 7.461 211 HB1 ALA 33 3HB ALA 33 -7.727 0.483 8.057 212 HB2 ALA 33 1HB ALA 33 -6.211 0.360 8.981 213 HB3 ALA 33 2HB ALA 33 -6.167 0.765 7.248 214 H MET 34 H MET 34 -9.035 -1.566 8.483 215 HA MET 34 HA MET 34 -8.530 -2.656 10.976 216 HB2 MET 34 1HB MET 34 -10.981 -2.782 9.136 217 HB3 MET 34 2HB MET 34 -11.022 -3.287 10.814 218 HG2 MET 34 1HG MET 34 -9.882 -0.561 10.307 219 HG3 MET 34 2HG MET 34 -11.597 -0.739 9.990 220 HE1 MET 34 3HE MET 34 -12.089 1.002 11.762 221 HE2 MET 34 1HE MET 34 -13.293 -0.306 11.852 222 HE3 MET 34 2HE MET 34 -12.626 0.394 13.346 223 H ALA 35 H ALA 35 -8.201 -4.058 7.870 224 HA ALA 35 HA ALA 35 -8.649 -6.754 8.936 225 HB1 ALA 35 3HB ALA 35 -8.686 -7.421 6.550 226 HB2 ALA 35 1HB ALA 35 -9.904 -6.172 6.900 227 HB3 ALA 35 2HB ALA 35 -8.388 -5.731 6.079 228 H LYS 36 H LYS 36 -6.582 -6.280 10.223 229 HA LYS 36 HA LYS 36 -4.157 -6.062 8.763 230 HB2 LYS 36 1HB LYS 36 -4.501 -5.233 11.084 231 HB3 LYS 36 2HB LYS 36 -4.628 -6.889 11.643 232 HG2 LYS 36 1HG LYS 36 -2.346 -6.326 12.015 233 HG3 LYS 36 2HG LYS 36 -2.315 -7.289 10.552 234 HD2 LYS 36 1HD LYS 36 -1.777 -5.484 9.195 235 HD3 LYS 36 2HD LYS 36 -2.682 -4.340 10.166 236 HE2 LYS 36 1HE LYS 36 -0.525 -5.368 11.792 237 HE3 LYS 36 2HE LYS 36 0.146 -4.897 10.243 238 HZ1 LYS 36 2HZ LYS 36 -0.211 -3.126 12.127 239 HZ3 LYS 36 1HZ LYS 36 -1.727 -3.045 11.538 240 H GLY 37 H GLY 37 -2.532 -7.675 8.421 241 HA2 GLY 37 1HA GLY 37 -3.549 -10.174 7.595 242 HA3 GLY 37 2HA GLY 37 -1.865 -9.700 7.705 Start of MODEL 17 1 HA ARG 1 HA ARG 1 6.714 0.298 -22.214 2 HE ARG 1 HE ARG 1 11.153 0.169 -20.998 3 H1 ARG 1 1H ARG 1 5.454 2.911 -22.473 4 HB2 ARG 1 1HB ARG 1 7.643 2.870 -21.297 5 HB3 ARG 1 2HB ARG 1 7.203 1.944 -19.875 6 HG2 ARG 1 1HG ARG 1 8.570 -0.006 -20.903 7 HG3 ARG 1 2HG ARG 1 9.187 1.164 -22.053 8 HD2 ARG 1 1HD ARG 1 9.948 2.598 -20.090 9 HD3 ARG 1 2HD ARG 1 9.456 1.308 -19.011 10 HH11 ARG 1 1HH1 ARG 1 11.372 2.436 -18.284 11 HH12 ARG 1 2HH1 ARG 1 13.037 2.086 -17.964 12 HH21 ARG 1 1HH2 ARG 1 14.181 0.478 -19.325 13 H GLY 2 H GLY 2 4.862 2.853 -20.388 14 HA2 GLY 2 1HA GLY 2 3.870 1.299 -18.344 15 HA3 GLY 2 2HA GLY 2 3.080 2.707 -19.025 16 H LYS 3 H LYS 3 1.486 2.458 -20.732 17 HA LYS 3 HA LYS 3 -0.287 0.447 -20.416 18 HB2 LYS 3 1HB LYS 3 0.314 2.370 -22.620 19 HB3 LYS 3 2HB LYS 3 -0.798 1.062 -22.970 20 HG2 LYS 3 1HG LYS 3 -1.993 1.725 -20.744 21 HG3 LYS 3 2HG LYS 3 -1.050 3.200 -20.819 22 HD2 LYS 3 1HD LYS 3 -2.607 2.328 -23.265 23 HD3 LYS 3 2HD LYS 3 -3.466 3.080 -21.936 24 HE2 LYS 3 1HE LYS 3 -2.004 5.071 -22.061 25 HE3 LYS 3 2HE LYS 3 -1.022 4.311 -23.297 26 HZ1 LYS 3 2HZ LYS 3 -3.743 5.380 -23.543 27 HZ3 LYS 3 1HZ LYS 3 -3.331 4.139 -24.514 28 H TRP 4 H TRP 4 -0.007 -1.714 -20.494 29 HA TRP 4 HA TRP 4 2.006 -2.788 -22.283 30 HD1 TRP 4 HD1 TRP 4 -0.011 -6.217 -19.336 31 HE1 TRP 4 HE1 TRP 4 -0.231 -8.464 -20.703 32 HE3 TRP 4 HE3 TRP 4 2.128 -4.449 -23.597 33 HZ2 TRP 4 HZ2 TRP 4 0.498 -9.232 -23.353 34 HZ3 TRP 4 HZ3 TRP 4 2.335 -6.012 -25.528 35 HH2 TRP 4 HH2 TRP 4 1.562 -8.330 -25.454 36 HB2 TRP 4 1HB TRP 4 2.249 -3.906 -20.345 37 HB3 TRP 4 2HB TRP 4 0.580 -3.678 -19.859 38 H THR 5 H THR 5 0.889 -2.184 -24.299 39 HA THR 5 HA THR 5 -1.658 -3.534 -24.758 40 HB THR 5 HB THR 5 -0.029 -1.586 -26.473 41 HG1 THR 5 HG1 THR 5 -2.360 -1.335 -24.705 42 HG21 THR 5 3HG2 THR 5 -1.724 -1.728 -28.001 43 HG22 THR 5 1HG2 THR 5 -2.320 -3.153 -27.116 44 HG23 THR 5 2HG2 THR 5 -2.944 -1.534 -26.720 45 H TYR 6 H TYR 6 -1.984 -5.224 -26.149 46 HA TYR 6 HA TYR 6 0.491 -6.442 -27.161 47 HD1 TYR 6 HD1 TYR 6 -3.670 -8.839 -26.531 48 HD2 TYR 6 HD2 TYR 6 0.093 -8.746 -28.563 49 HE1 TYR 6 HE1 TYR 6 -4.499 -10.604 -28.162 50 HE2 TYR 6 HE2 TYR 6 -0.748 -10.512 -30.187 51 HH TYR 6 HH TYR 6 -3.145 -12.456 -29.651 52 HB2 TYR 6 1HB TYR 6 -0.510 -8.085 -25.803 53 HB3 TYR 6 2HB TYR 6 -2.073 -7.293 -25.860 54 H ASN 7 H ASN 7 -3.065 -6.405 -27.944 55 HA ASN 7 HA ASN 7 -2.252 -5.995 -30.710 56 HB2 ASN 7 1HB ASN 7 -3.095 -8.402 -30.051 57 HB3 ASN 7 2HB ASN 7 -4.680 -7.665 -29.923 58 HD21 ASN 7 2HD2 ASN 7 -2.929 -8.474 -33.527 59 HD22 ASN 7 1HD2 ASN 7 -2.153 -8.735 -32.001 60 H GLY 8 H GLY 8 -2.753 -3.689 -29.725 61 HA2 GLY 8 1HA GLY 8 -4.115 -1.891 -29.982 62 HA3 GLY 8 2HA GLY 8 -5.405 -2.936 -30.543 63 H ILE 9 H ILE 9 -5.907 -4.695 -28.504 64 HA ILE 9 HA ILE 9 -7.320 -3.109 -26.685 65 HB ILE 9 HB ILE 9 -7.645 -5.317 -25.507 66 HG12 ILE 9 1HG1 ILE 9 -6.827 -7.054 -27.583 67 HG13 ILE 9 2HG1 ILE 9 -5.438 -6.050 -27.218 68 HG21 ILE 9 1HG2 ILE 9 -9.453 -5.199 -26.792 69 HG22 ILE 9 2HG2 ILE 9 -8.547 -4.419 -28.111 70 HG23 ILE 9 3HG2 ILE 9 -8.587 -6.194 -27.986 71 HD11 ILE 9 3HD1 ILE 9 -5.108 -7.591 -25.547 72 HD12 ILE 9 1HD1 ILE 9 -6.294 -6.591 -24.675 73 HD13 ILE 9 2HD1 ILE 9 -6.822 -8.070 -25.514 74 H THR 10 H THR 10 -6.961 -2.567 -24.509 75 HA THR 10 HA THR 10 -4.145 -2.819 -23.697 76 HB THR 10 HB THR 10 -6.230 -0.847 -22.657 77 HG1 THR 10 HG1 THR 10 -4.314 -0.697 -24.879 78 HG21 THR 10 3HG2 THR 10 -3.178 -0.814 -22.928 79 HG22 THR 10 1HG2 THR 10 -4.157 0.581 -22.413 80 HG23 THR 10 2HG2 THR 10 -4.095 -0.885 -21.404 81 H TYR 11 H TYR 11 -3.618 -3.311 -21.498 82 HA TYR 11 HA TYR 11 -5.680 -5.014 -20.297 83 HD1 TYR 11 HD1 TYR 11 -1.829 -7.482 -20.006 84 HD2 TYR 11 HD2 TYR 11 -5.287 -5.962 -22.014 85 HE1 TYR 11 HE1 TYR 11 -1.905 -9.563 -21.466 86 HE2 TYR 11 HE2 TYR 11 -5.351 -8.047 -23.467 87 HH TYR 11 HH TYR 11 -4.231 -9.826 -24.107 88 HB2 TYR 11 1HB TYR 11 -2.628 -4.767 -20.311 89 HB3 TYR 11 2HB TYR 11 -3.399 -5.651 -19.009 90 H GLU 12 H GLU 12 -5.689 -2.048 -20.044 91 HA GLU 12 HA GLU 12 -4.537 -1.028 -17.873 92 HE2 GLU 12 HE2 GLU 12 -6.341 1.447 -21.286 93 HB2 GLU 12 1HB GLU 12 -6.764 -0.396 -19.511 94 HB3 GLU 12 2HB GLU 12 -7.364 -0.292 -17.867 95 HG2 GLU 12 1HG GLU 12 -6.397 1.757 -17.736 96 HG3 GLU 12 2HG GLU 12 -4.842 0.949 -17.724 97 H GLY 13 H GLY 13 -5.043 -0.824 -15.590 98 HA2 GLY 13 1HA GLY 13 -6.289 -1.383 -13.687 99 HA3 GLY 13 2HA GLY 13 -6.999 -2.744 -14.534 100 H GLY 14 H GLY 14 -4.339 -1.620 -12.554 101 HA2 GLY 14 1HA GLY 14 -3.281 -3.270 -11.165 102 HA3 GLY 14 2HA GLY 14 -3.247 -4.366 -12.532 103 H GLY 15 H GLY 15 -0.893 -4.548 -12.129 104 HA2 GLY 15 1HA GLY 15 0.906 -3.810 -13.691 105 HA3 GLY 15 2HA GLY 15 0.596 -2.186 -13.109 106 H GLY 16 H GLY 16 1.342 -1.519 -11.047 107 HA2 GLY 16 1HA GLY 16 3.531 -3.046 -10.001 108 HA3 GLY 16 2HA GLY 16 2.931 -1.501 -9.432 109 H GLY 17 H GLY 17 3.102 -2.194 -7.205 110 HA2 GLY 17 1HA GLY 17 2.279 -4.404 -5.960 111 HA3 GLY 17 2HA GLY 17 2.013 -2.801 -5.305 112 H GLY 18 H GLY 18 0.498 -5.681 -6.197 113 HA2 GLY 18 1HA GLY 18 -2.026 -4.472 -7.023 114 HA3 GLY 18 2HA GLY 18 -1.631 -6.177 -6.946 115 H GLY 19 H GLY 19 -4.054 -5.068 -5.887 116 HA2 GLY 19 1HA GLY 19 -4.019 -6.181 -3.281 117 HA3 GLY 19 2HA GLY 19 -4.020 -4.432 -3.185 118 H GLY 20 H GLY 20 -5.679 -3.319 -4.792 119 HA2 GLY 20 1HA GLY 20 -7.763 -3.697 -5.983 120 HA3 GLY 20 2HA GLY 20 -8.171 -4.914 -4.791 121 H SER 21 H SER 21 -6.799 -1.556 -4.506 122 HA SER 21 HA SER 21 -8.347 -1.042 -2.233 123 HG SER 21 HG SER 21 -6.491 0.362 -5.007 124 HB2 SER 21 1HB SER 21 -7.584 1.453 -3.200 125 HB3 SER 21 2HB SER 21 -6.646 0.449 -2.113 126 H ALA 22 H ALA 22 -10.491 -1.733 -3.231 127 HA ALA 22 HA ALA 22 -11.610 0.290 -5.016 128 HB1 ALA 22 3HB ALA 22 -12.891 -2.300 -4.089 129 HB2 ALA 22 1HB ALA 22 -13.271 -1.333 -5.534 130 HB3 ALA 22 2HB ALA 22 -11.742 -2.239 -5.447 131 H ALA 23 H ALA 23 -12.402 2.047 -3.954 132 HA ALA 23 HA ALA 23 -13.759 3.213 -2.636 133 HB1 ALA 23 3HB ALA 23 -15.284 1.140 -2.963 134 HB2 ALA 23 1HB ALA 23 -14.761 0.672 -1.327 135 HB3 ALA 23 2HB ALA 23 -15.619 2.211 -1.581 136 H GLU 24 H GLU 24 -10.988 2.161 -1.990 137 HA GLU 24 HA GLU 24 -10.952 1.729 0.790 138 HE2 GLU 24 HE2 GLU 24 -6.834 3.293 -2.988 139 HB2 GLU 24 1HB GLU 24 -8.590 1.646 0.568 140 HB3 GLU 24 2HB GLU 24 -9.192 1.031 -0.958 141 HG2 GLU 24 1HG GLU 24 -8.800 3.166 -2.068 142 HG3 GLU 24 2HG GLU 24 -8.463 3.964 -0.545 143 H ALA 25 H ALA 25 -11.005 4.565 -1.306 144 HA ALA 25 HA ALA 25 -9.791 6.463 0.249 145 HB1 ALA 25 3HB ALA 25 -11.305 8.049 -0.920 146 HB2 ALA 25 1HB ALA 25 -10.621 6.838 -2.030 147 HB3 ALA 25 2HB ALA 25 -12.301 6.678 -1.463 148 H TYR 26 H TYR 26 -13.184 5.210 0.426 149 HA TYR 26 HA TYR 26 -13.744 6.872 2.707 150 HD1 TYR 26 HD1 TYR 26 -15.691 4.159 4.021 151 HD2 TYR 26 HD2 TYR 26 -15.523 3.651 -0.223 152 HE1 TYR 26 HE1 TYR 26 -16.338 1.714 4.281 153 HE2 TYR 26 HE2 TYR 26 -16.171 1.208 0.051 154 HH TYR 26 HH TYR 26 -16.030 -0.509 1.756 155 HB2 TYR 26 1HB TYR 26 -15.935 6.135 2.207 156 HB3 TYR 26 2HB TYR 26 -15.191 5.769 0.663 157 H ALA 27 H ALA 27 -13.159 3.369 2.021 158 HA ALA 27 HA ALA 27 -13.648 2.484 4.625 159 HB1 ALA 27 3HB ALA 27 -12.994 0.441 3.794 160 HB2 ALA 27 1HB ALA 27 -13.246 1.292 2.251 161 HB3 ALA 27 2HB ALA 27 -11.603 1.121 2.915 162 H LYS 28 H LYS 28 -11.148 4.471 3.326 163 HA LYS 28 HA LYS 28 -8.992 3.621 4.905 164 HB2 LYS 28 1HB LYS 28 -8.277 4.940 3.191 165 HB3 LYS 28 2HB LYS 28 -9.683 5.985 3.242 166 HG2 LYS 28 1HG LYS 28 -7.730 7.246 4.009 167 HG3 LYS 28 2HG LYS 28 -8.827 7.025 5.357 168 HD2 LYS 28 1HD LYS 28 -7.111 6.111 6.523 169 HD3 LYS 28 2HD LYS 28 -7.163 4.740 5.433 170 HE2 LYS 28 1HE LYS 28 -5.460 5.645 4.014 171 HE3 LYS 28 2HE LYS 28 -5.655 7.263 4.658 172 HZ1 LYS 28 2HZ LYS 28 -4.242 6.787 6.334 173 HZ3 LYS 28 1HZ LYS 28 -3.825 5.435 5.529 174 H ARG 29 H ARG 29 -11.407 6.295 5.369 175 HA ARG 29 HA ARG 29 -10.415 6.929 7.893 176 HE ARG 29 HE ARG 29 -12.183 9.583 3.124 177 HB2 ARG 29 1HB ARG 29 -13.290 7.424 7.028 178 HB3 ARG 29 2HB ARG 29 -12.279 8.436 8.040 179 HG2 ARG 29 1HG ARG 29 -11.598 9.595 6.218 180 HG3 ARG 29 2HG ARG 29 -10.901 8.136 5.542 181 HD2 ARG 29 1HD ARG 29 -12.844 7.623 4.284 182 HD3 ARG 29 2HD ARG 29 -13.890 8.580 5.314 183 HH11 ARG 29 1HH1 ARG 29 -14.177 10.420 5.930 184 HH12 ARG 29 2HH1 ARG 29 -14.411 12.062 5.430 185 HH21 ARG 29 1HH2 ARG 29 -13.411 12.821 3.389 186 H ILE 30 H ILE 30 -13.117 4.847 6.708 187 HA ILE 30 HA ILE 30 -14.518 4.288 8.901 188 HB ILE 30 HB ILE 30 -13.475 2.345 6.840 189 HG12 ILE 30 1HG1 ILE 30 -14.785 4.351 6.052 190 HG13 ILE 30 2HG1 ILE 30 -15.446 2.788 5.614 191 HG21 ILE 30 1HG2 ILE 30 -15.195 1.933 9.196 192 HG22 ILE 30 2HG2 ILE 30 -15.865 1.324 7.664 193 HG23 ILE 30 3HG2 ILE 30 -14.270 0.766 8.221 194 HD11 ILE 30 3HD1 ILE 30 -17.040 2.907 7.520 195 HD12 ILE 30 1HD1 ILE 30 -16.363 4.487 7.980 196 HD13 ILE 30 2HD1 ILE 30 -17.226 4.304 6.434 197 H ALA 31 H ALA 31 -11.363 2.685 8.079 198 HA ALA 31 HA ALA 31 -11.121 1.069 10.243 199 HB1 ALA 31 3HB ALA 31 -9.346 2.400 8.314 200 HB2 ALA 31 1HB ALA 31 -8.552 2.066 9.871 201 HB3 ALA 31 2HB ALA 31 -9.298 0.738 8.950 202 H GLU 32 H GLU 32 -10.070 4.543 10.026 203 HA GLU 32 HA GLU 32 -9.061 4.844 12.484 204 HE2 GLU 32 HE2 GLU 32 -8.553 9.709 10.548 205 HB2 GLU 32 1HB GLU 32 -10.869 6.820 11.021 206 HB3 GLU 32 2HB GLU 32 -9.778 7.238 12.327 207 HG2 GLU 32 1HG GLU 32 -8.143 5.808 10.535 208 HG3 GLU 32 2HG GLU 32 -9.183 6.748 9.483 209 H ALA 33 H ALA 33 -12.566 5.241 11.599 210 HA ALA 33 HA ALA 33 -13.480 5.786 14.154 211 HB1 ALA 33 3HB ALA 33 -14.561 5.664 11.667 212 HB2 ALA 33 1HB ALA 33 -15.206 4.154 12.354 213 HB3 ALA 33 2HB ALA 33 -15.535 5.709 13.156 214 H MET 34 H MET 34 -13.221 2.615 12.403 215 HA MET 34 HA MET 34 -14.184 1.116 14.524 216 HB2 MET 34 1HB MET 34 -12.283 0.446 12.212 217 HB3 MET 34 2HB MET 34 -12.965 -0.780 13.263 218 HG2 MET 34 1HG MET 34 -14.736 1.204 11.775 219 HG3 MET 34 2HG MET 34 -14.209 -0.292 11.030 220 HE1 MET 34 3HE MET 34 -16.180 -2.765 11.764 221 HE2 MET 34 1HE MET 34 -14.447 -2.363 11.700 222 HE3 MET 34 2HE MET 34 -15.161 -2.987 13.206 223 H ALA 35 H ALA 35 -11.264 2.875 14.239 224 HA ALA 35 HA ALA 35 -9.798 1.054 15.985 225 HB1 ALA 35 3HB ALA 35 -8.124 3.147 15.544 226 HB2 ALA 35 1HB ALA 35 -8.266 1.757 14.442 227 HB3 ALA 35 2HB ALA 35 -9.149 3.262 14.093 228 H LYS 36 H LYS 36 -9.210 1.591 18.108 229 HA LYS 36 HA LYS 36 -10.927 2.930 19.670 230 HB2 LYS 36 1HB LYS 36 -8.195 1.955 19.894 231 HB3 LYS 36 2HB LYS 36 -8.438 3.385 20.877 232 HG2 LYS 36 1HG LYS 36 -10.346 2.375 22.017 233 HG3 LYS 36 2HG LYS 36 -10.369 1.023 20.901 234 HD2 LYS 36 1HD LYS 36 -8.531 -0.014 21.884 235 HD3 LYS 36 2HD LYS 36 -7.791 1.499 22.366 236 HE2 LYS 36 1HE LYS 36 -8.969 1.611 24.361 237 HE3 LYS 36 2HE LYS 36 -10.403 0.863 23.686 238 HZ1 LYS 36 2HZ LYS 36 -7.917 -0.534 24.502 239 HZ3 LYS 36 1HZ LYS 36 -9.104 -1.274 23.668 240 H GLY 37 H GLY 37 -7.809 4.401 18.503 241 HA2 GLY 37 1HA GLY 37 -8.562 7.021 19.293 242 HA3 GLY 37 2HA GLY 37 -7.217 6.562 18.267 Start of MODEL 18 1 HA ARG 1 HA ARG 1 -1.982 2.974 -24.017 2 HE ARG 1 HE ARG 1 -5.070 1.579 -29.330 3 H1 ARG 1 1H ARG 1 -0.684 1.242 -25.909 4 HB2 ARG 1 1HB ARG 1 -3.858 3.477 -25.592 5 HB3 ARG 1 2HB ARG 1 -2.342 4.141 -26.166 6 HG2 ARG 1 1HG ARG 1 -2.061 2.366 -27.786 7 HG3 ARG 1 2HG ARG 1 -3.332 1.402 -27.060 8 HD2 ARG 1 1HD ARG 1 -4.455 3.980 -27.728 9 HD3 ARG 1 2HD ARG 1 -3.571 3.403 -29.127 10 HH11 ARG 1 1HH1 ARG 1 -5.697 3.359 -26.331 11 HH12 ARG 1 2HH1 ARG 1 -7.209 2.570 -26.032 12 HH21 ARG 1 1HH2 ARG 1 -7.994 0.914 -27.577 13 H GLY 2 H GLY 2 -4.269 2.122 -23.508 14 HA2 GLY 2 1HA GLY 2 -5.781 0.218 -23.979 15 HA3 GLY 2 2HA GLY 2 -4.359 -0.805 -23.943 16 H LYS 3 H LYS 3 -4.867 -2.082 -22.144 17 HA LYS 3 HA LYS 3 -5.281 -0.607 -19.639 18 HB2 LYS 3 1HB LYS 3 -6.196 -2.859 -18.852 19 HB3 LYS 3 2HB LYS 3 -7.177 -1.936 -19.972 20 HG2 LYS 3 1HG LYS 3 -5.239 -3.787 -21.275 21 HG3 LYS 3 2HG LYS 3 -6.470 -4.586 -20.319 22 HD2 LYS 3 1HD LYS 3 -7.934 -2.645 -21.707 23 HD3 LYS 3 2HD LYS 3 -6.732 -3.136 -22.884 24 HE2 LYS 3 1HE LYS 3 -7.571 -5.572 -21.749 25 HE3 LYS 3 2HE LYS 3 -9.049 -4.635 -21.846 26 HZ1 LYS 3 2HZ LYS 3 -8.531 -4.217 -24.214 27 HZ3 LYS 3 1HZ LYS 3 -8.668 -5.813 -23.920 28 H TRP 4 H TRP 4 -3.320 -0.278 -18.702 29 HA TRP 4 HA TRP 4 -1.377 -2.460 -18.863 30 HD1 TRP 4 HD1 TRP 4 -2.119 1.781 -19.740 31 HE1 TRP 4 HE1 TRP 4 -2.531 3.882 -18.198 32 HE3 TRP 4 HE3 TRP 4 0.155 -0.142 -15.618 33 HZ2 TRP 4 HZ2 TRP 4 -1.874 4.491 -15.488 34 HZ3 TRP 4 HZ3 TRP 4 0.226 1.271 -13.566 35 HH2 TRP 4 HH2 TRP 4 -0.741 3.513 -13.458 36 HB2 TRP 4 1HB TRP 4 0.228 -0.754 -18.067 37 HB3 TRP 4 2HB TRP 4 -0.494 -0.396 -19.623 38 H THR 5 H THR 5 -2.082 -3.920 -17.274 39 HA THR 5 HA THR 5 -3.166 -3.132 -14.807 40 HB THR 5 HB THR 5 -1.982 -5.653 -16.017 41 HG1 THR 5 HG1 THR 5 -4.229 -6.125 -15.913 42 HG21 THR 5 3HG2 THR 5 -3.207 -5.454 -13.221 43 HG22 THR 5 1HG2 THR 5 -2.552 -6.908 -14.011 44 HG23 THR 5 2HG2 THR 5 -1.455 -5.604 -13.497 45 H TYR 6 H TYR 6 -2.330 -2.795 -12.777 46 HA TYR 6 HA TYR 6 0.607 -2.791 -12.624 47 HD1 TYR 6 HD1 TYR 6 2.184 -1.259 -12.228 48 HD2 TYR 6 HD2 TYR 6 -0.798 0.593 -9.781 49 HE1 TYR 6 HE1 TYR 6 4.002 -0.236 -10.774 50 HE2 TYR 6 HE2 TYR 6 1.030 1.610 -8.336 51 HH TYR 6 HH TYR 6 4.380 0.703 -8.765 52 HB2 TYR 6 1HB TYR 6 -0.515 -0.499 -12.925 53 HB3 TYR 6 2HB TYR 6 -1.475 -0.817 -11.494 54 H ASN 7 H ASN 7 0.910 -4.619 -11.367 55 HA ASN 7 HA ASN 7 0.954 -5.854 -9.587 56 HB2 ASN 7 1HB ASN 7 0.082 -3.217 -8.396 57 HB3 ASN 7 2HB ASN 7 -0.036 -4.634 -7.371 58 HD21 ASN 7 2HD2 ASN 7 3.260 -4.246 -6.396 59 HD22 ASN 7 1HD2 ASN 7 1.584 -4.421 -5.996 60 H GLY 8 H GLY 8 -1.180 -6.376 -11.249 61 HA2 GLY 8 1HA GLY 8 -3.010 -7.764 -11.047 62 HA3 GLY 8 2HA GLY 8 -3.242 -7.254 -9.386 63 H ILE 9 H ILE 9 -3.501 -4.558 -9.384 64 HA ILE 9 HA ILE 9 -6.030 -4.026 -10.055 65 HB ILE 9 HB ILE 9 -3.981 -2.631 -8.990 66 HG12 ILE 9 1HG1 ILE 9 -5.568 -0.971 -8.459 67 HG13 ILE 9 2HG1 ILE 9 -6.467 -1.213 -9.944 68 HG21 ILE 9 1HG2 ILE 9 -3.058 -1.989 -11.158 69 HG22 ILE 9 2HG2 ILE 9 -4.610 -1.244 -11.611 70 HG23 ILE 9 3HG2 ILE 9 -3.657 -0.568 -10.268 71 HD11 ILE 9 3HD1 ILE 9 -6.182 -3.588 -8.122 72 HD12 ILE 9 1HD1 ILE 9 -7.272 -2.278 -7.609 73 HD13 ILE 9 2HD1 ILE 9 -7.549 -3.110 -9.158 74 H THR 10 H THR 10 -7.264 -3.636 -11.846 75 HA THR 10 HA THR 10 -5.824 -3.692 -14.408 76 HB THR 10 HB THR 10 -8.795 -4.157 -14.130 77 HG1 THR 10 HG1 THR 10 -6.567 -5.925 -13.393 78 HG21 THR 10 3HG2 THR 10 -7.767 -6.251 -15.541 79 HG22 THR 10 1HG2 THR 10 -8.200 -4.708 -16.315 80 HG23 THR 10 2HG2 THR 10 -6.507 -5.039 -15.873 81 H TYR 11 H TYR 11 -5.585 -1.851 -15.492 82 HA TYR 11 HA TYR 11 -7.444 0.322 -14.837 83 HD1 TYR 11 HD1 TYR 11 -3.492 2.521 -14.895 84 HD2 TYR 11 HD2 TYR 11 -6.290 -0.164 -13.089 85 HE1 TYR 11 HE1 TYR 11 -2.772 3.312 -12.589 86 HE2 TYR 11 HE2 TYR 11 -5.561 0.636 -10.788 87 HH TYR 11 HH TYR 11 -4.371 2.064 -9.676 88 HB2 TYR 11 1HB TYR 11 -4.595 0.003 -15.917 89 HB3 TYR 11 2HB TYR 11 -5.442 1.516 -16.174 90 H GLU 12 H GLU 12 -9.029 0.757 -16.280 91 HA GLU 12 HA GLU 12 -9.001 -0.493 -18.802 92 HE2 GLU 12 HE2 GLU 12 -13.319 -2.268 -18.012 93 HB2 GLU 12 1HB GLU 12 -10.949 0.528 -17.138 94 HB3 GLU 12 2HB GLU 12 -10.893 1.764 -18.379 95 HG2 GLU 12 1HG GLU 12 -11.601 0.312 -20.070 96 HG3 GLU 12 2HG GLU 12 -10.915 -1.103 -19.297 97 H GLY 13 H GLY 13 -9.321 0.748 -20.914 98 HA2 GLY 13 1HA GLY 13 -7.196 2.672 -21.181 99 HA3 GLY 13 2HA GLY 13 -8.216 2.012 -22.445 100 H GLY 14 H GLY 14 -7.391 4.858 -21.028 101 HA2 GLY 14 1HA GLY 14 -9.782 6.179 -21.963 102 HA3 GLY 14 2HA GLY 14 -9.565 6.249 -20.226 103 H GLY 15 H GLY 15 -8.064 7.666 -19.325 104 HA2 GLY 15 1HA GLY 15 -5.870 8.730 -19.644 105 HA3 GLY 15 2HA GLY 15 -6.398 9.167 -21.257 106 H GLY 16 H GLY 16 -5.522 11.080 -19.306 107 HA2 GLY 16 1HA GLY 16 -6.315 13.258 -19.048 108 HA3 GLY 16 2HA GLY 16 -7.969 12.682 -19.106 109 H GLY 17 H GLY 17 -8.970 13.040 -17.175 110 HA2 GLY 17 1HA GLY 17 -7.697 13.512 -14.757 111 HA3 GLY 17 2HA GLY 17 -9.372 13.041 -14.965 112 H GLY 18 H GLY 18 -8.743 11.969 -12.771 113 HA2 GLY 18 1HA GLY 18 -9.037 9.593 -12.263 114 HA3 GLY 18 2HA GLY 18 -7.690 9.260 -13.334 115 H GLY 19 H GLY 19 -8.481 11.374 -10.477 116 HA2 GLY 19 1HA GLY 19 -6.191 10.333 -9.047 117 HA3 GLY 19 2HA GLY 19 -6.032 12.004 -9.550 118 H GLY 20 H GLY 20 -6.501 10.526 -6.834 119 HA2 GLY 20 1HA GLY 20 -7.602 12.398 -5.318 120 HA3 GLY 20 2HA GLY 20 -9.047 11.675 -5.996 121 H SER 21 H SER 21 -9.855 10.671 -4.131 122 HA SER 21 HA SER 21 -8.035 8.866 -2.777 123 HG SER 21 HG SER 21 -9.796 11.466 -1.091 124 HB2 SER 21 1HB SER 21 -10.823 9.839 -2.008 125 HB3 SER 21 2HB SER 21 -9.837 8.770 -1.030 126 H ALA 22 H ALA 22 -9.107 8.298 -5.484 127 HA ALA 22 HA ALA 22 -11.134 6.274 -5.010 128 HB1 ALA 22 3HB ALA 22 -10.121 6.357 -7.711 129 HB2 ALA 22 1HB ALA 22 -11.729 6.820 -7.105 130 HB3 ALA 22 2HB ALA 22 -10.413 8.017 -7.140 131 H ALA 23 H ALA 23 -10.348 4.419 -4.103 132 HA ALA 23 HA ALA 23 -9.213 2.526 -3.933 133 HB1 ALA 23 3HB ALA 23 -8.256 1.536 -5.860 134 HB2 ALA 23 1HB ALA 23 -9.533 2.600 -6.497 135 HB3 ALA 23 2HB ALA 23 -7.831 3.114 -6.566 136 H GLU 24 H GLU 24 -8.204 5.257 -3.080 137 HA GLU 24 HA GLU 24 -5.412 4.450 -2.822 138 HE2 GLU 24 HE2 GLU 24 -3.735 8.646 -5.977 139 HB2 GLU 24 1HB GLU 24 -6.513 7.282 -3.093 140 HB3 GLU 24 2HB GLU 24 -4.842 6.900 -2.724 141 HG2 GLU 24 1HG GLU 24 -5.420 5.319 -4.991 142 HG3 GLU 24 2HG GLU 24 -6.239 6.834 -5.312 143 H ALA 25 H ALA 25 -8.293 6.052 -1.396 144 HA ALA 25 HA ALA 25 -6.977 6.013 1.216 145 HB1 ALA 25 3HB ALA 25 -8.017 8.127 0.433 146 HB2 ALA 25 1HB ALA 25 -9.584 7.294 0.298 147 HB3 ALA 25 2HB ALA 25 -8.817 7.494 1.892 148 H TYR 26 H TYR 26 -9.388 4.423 -0.793 149 HA TYR 26 HA TYR 26 -10.516 3.068 1.535 150 HD1 TYR 26 HD1 TYR 26 -12.316 0.639 0.269 151 HD2 TYR 26 HD2 TYR 26 -11.006 2.877 -3.134 152 HE1 TYR 26 HE1 TYR 26 -12.630 -1.408 -1.207 153 HE2 TYR 26 HE2 TYR 26 -11.325 0.823 -4.598 154 HH TYR 26 HH TYR 26 -12.665 -2.166 -3.244 155 HB2 TYR 26 1HB TYR 26 -12.355 3.261 0.128 156 HB3 TYR 26 2HB TYR 26 -11.336 3.985 -1.101 157 H ALA 27 H ALA 27 -9.211 2.225 -1.758 158 HA ALA 27 HA ALA 27 -9.046 -0.480 -1.389 159 HB1 ALA 27 3HB ALA 27 -8.699 0.617 -3.536 160 HB2 ALA 27 1HB ALA 27 -7.222 1.407 -2.932 161 HB3 ALA 27 2HB ALA 27 -7.264 -0.360 -3.143 162 H LYS 28 H LYS 28 -7.224 2.075 0.153 163 HA LYS 28 HA LYS 28 -4.964 0.456 0.794 164 HB2 LYS 28 1HB LYS 28 -4.090 2.350 1.742 165 HB3 LYS 28 2HB LYS 28 -5.208 3.061 0.596 166 HG2 LYS 28 1HG LYS 28 -6.922 3.304 2.379 167 HG3 LYS 28 2HG LYS 28 -5.860 2.523 3.533 168 HD2 LYS 28 1HD LYS 28 -4.537 4.776 2.163 169 HD3 LYS 28 2HD LYS 28 -5.992 5.280 2.999 170 HE2 LYS 28 1HE LYS 28 -5.024 5.024 5.047 171 HE3 LYS 28 2HE LYS 28 -4.427 3.424 4.651 172 HZ1 LYS 28 2HZ LYS 28 -3.086 5.785 3.501 173 HZ3 LYS 28 1HZ LYS 28 -2.463 4.308 3.788 174 H ARG 29 H ARG 29 -7.989 1.508 2.459 175 HA ARG 29 HA ARG 29 -7.326 0.325 4.878 176 HE ARG 29 HE ARG 29 -8.692 5.093 5.820 177 HB2 ARG 29 1HB ARG 29 -10.185 0.606 3.872 178 HB3 ARG 29 2HB ARG 29 -9.596 0.782 5.513 179 HG2 ARG 29 1HG ARG 29 -8.126 2.714 4.117 180 HG3 ARG 29 2HG ARG 29 -9.690 2.773 3.328 181 HD2 ARG 29 1HD ARG 29 -10.826 3.135 5.485 182 HD3 ARG 29 2HD ARG 29 -9.326 2.902 6.360 183 HH11 ARG 29 1HH1 ARG 29 -11.352 4.114 3.694 184 HH12 ARG 29 2HH1 ARG 29 -11.555 5.694 3.014 185 HH21 ARG 29 1HH2 ARG 29 -10.137 7.480 3.751 186 H ILE 30 H ILE 30 -9.239 -0.812 2.019 187 HA ILE 30 HA ILE 30 -10.331 -3.088 2.850 188 HB ILE 30 HB ILE 30 -8.719 -2.859 0.308 189 HG12 ILE 30 1HG1 ILE 30 -9.988 -0.901 0.284 190 HG13 ILE 30 2HG1 ILE 30 -10.958 -2.040 -0.628 191 HG21 ILE 30 1HG2 ILE 30 -9.640 -4.778 -0.323 192 HG22 ILE 30 2HG2 ILE 30 -10.225 -4.979 1.346 193 HG23 ILE 30 3HG2 ILE 30 -11.269 -4.215 0.123 194 HD11 ILE 30 3HD1 ILE 30 -12.610 -1.265 0.786 195 HD12 ILE 30 1HD1 ILE 30 -11.963 -2.544 1.841 196 HD13 ILE 30 2HD1 ILE 30 -11.457 -0.855 2.077 197 H ALA 31 H ALA 31 -6.887 -2.913 1.688 198 HA ALA 31 HA ALA 31 -6.091 -5.426 2.168 199 HB1 ALA 31 3HB ALA 31 -4.182 -4.410 1.565 200 HB2 ALA 31 1HB ALA 31 -4.888 -2.819 1.936 201 HB3 ALA 31 2HB ALA 31 -4.041 -3.734 3.206 202 H GLU 32 H GLU 32 -6.156 -2.776 4.657 203 HA GLU 32 HA GLU 32 -5.243 -4.174 6.760 204 HE2 GLU 32 HE2 GLU 32 -5.543 1.274 8.252 205 HB2 GLU 32 1HB GLU 32 -7.559 -2.188 6.822 206 HB3 GLU 32 2HB GLU 32 -6.536 -2.608 8.182 207 HG2 GLU 32 1HG GLU 32 -4.647 -1.909 6.275 208 HG3 GLU 32 2HG GLU 32 -5.966 -0.831 5.864 209 H ALA 33 H ALA 33 -8.744 -3.884 5.801 210 HA ALA 33 HA ALA 33 -9.772 -5.568 7.715 211 HB1 ALA 33 3HB ALA 33 -11.599 -4.828 6.639 212 HB2 ALA 33 1HB ALA 33 -10.604 -4.285 5.267 213 HB3 ALA 33 2HB ALA 33 -11.236 -5.948 5.304 214 H MET 34 H MET 34 -8.687 -6.384 4.342 215 HA MET 34 HA MET 34 -9.143 -9.110 4.669 216 HB2 MET 34 1HB MET 34 -7.232 -7.576 2.820 217 HB3 MET 34 2HB MET 34 -7.656 -9.262 2.602 218 HG2 MET 34 1HG MET 34 -9.846 -7.166 2.791 219 HG3 MET 34 2HG MET 34 -8.995 -7.406 1.278 220 HE1 MET 34 3HE MET 34 -12.583 -8.977 2.397 221 HE2 MET 34 1HE MET 34 -11.785 -7.474 1.873 222 HE3 MET 34 2HE MET 34 -12.247 -8.703 0.670 223 H ALA 35 H ALA 35 -6.790 -7.078 6.083 224 HA ALA 35 HA ALA 35 -4.800 -9.208 6.242 225 HB1 ALA 35 3HB ALA 35 -3.699 -7.227 5.750 226 HB2 ALA 35 1HB ALA 35 -4.850 -6.231 6.673 227 HB3 ALA 35 2HB ALA 35 -3.627 -7.202 7.528 228 H LYS 36 H LYS 36 -5.370 -10.717 7.758 229 HA LYS 36 HA LYS 36 -6.795 -9.914 10.113 230 HB2 LYS 36 1HB LYS 36 -7.294 -12.028 8.987 231 HB3 LYS 36 2HB LYS 36 -5.654 -12.586 9.247 232 HG2 LYS 36 1HG LYS 36 -6.668 -11.711 11.795 233 HG3 LYS 36 2HG LYS 36 -7.906 -12.710 11.060 234 HD2 LYS 36 1HD LYS 36 -6.656 -14.624 11.245 235 HD3 LYS 36 2HD LYS 36 -5.177 -13.826 10.749 236 HE2 LYS 36 1HE LYS 36 -6.152 -12.945 13.411 237 HE3 LYS 36 2HE LYS 36 -5.768 -14.653 13.343 238 HZ1 LYS 36 2HZ LYS 36 -3.767 -13.493 13.876 239 HZ3 LYS 36 1HZ LYS 36 -3.945 -12.413 12.671 240 H GLY 37 H GLY 37 -5.971 -9.399 12.086 241 HA2 GLY 37 1HA GLY 37 -4.239 -10.007 13.730 242 HA3 GLY 37 2HA GLY 37 -3.061 -9.811 12.447 Start of MODEL 19 1 HA ARG 1 HA ARG 1 4.781 -3.977 -13.691 2 HE ARG 1 HE ARG 1 9.907 -3.996 -15.404 3 H1 ARG 1 1H ARG 1 5.944 -3.832 -16.266 4 HB2 ARG 1 1HB ARG 1 7.026 -3.046 -12.960 5 HB3 ARG 1 2HB ARG 1 7.150 -4.495 -13.937 6 HG2 ARG 1 1HG ARG 1 7.893 -3.309 -15.851 7 HG3 ARG 1 2HG ARG 1 7.225 -1.788 -15.294 8 HD2 ARG 1 1HD ARG 1 9.289 -1.264 -14.499 9 HD3 ARG 1 2HD ARG 1 9.064 -2.495 -13.272 10 HH11 ARG 1 1HH1 ARG 1 11.198 -1.032 -13.954 11 HH12 ARG 1 2HH1 ARG 1 12.836 -1.380 -14.399 12 HH21 ARG 1 1HH2 ARG 1 13.323 -3.398 -15.597 13 H GLY 2 H GLY 2 4.320 -2.192 -12.250 14 HA2 GLY 2 1HA GLY 2 4.079 0.019 -11.667 15 HA3 GLY 2 2HA GLY 2 4.595 0.520 -13.265 16 H LYS 3 H LYS 3 3.048 0.173 -15.124 17 HA LYS 3 HA LYS 3 0.463 1.059 -14.343 18 HB2 LYS 3 1HB LYS 3 0.042 1.243 -16.705 19 HB3 LYS 3 2HB LYS 3 1.647 1.857 -16.363 20 HG2 LYS 3 1HG LYS 3 2.594 -0.407 -17.019 21 HG3 LYS 3 2HG LYS 3 0.978 -0.907 -17.479 22 HD2 LYS 3 1HD LYS 3 1.910 -0.161 -19.523 23 HD3 LYS 3 2HD LYS 3 0.946 1.207 -19.005 24 HE2 LYS 3 1HE LYS 3 2.903 2.384 -18.165 25 HE3 LYS 3 2HE LYS 3 3.912 0.961 -18.337 26 HZ1 LYS 3 2HZ LYS 3 2.582 1.909 -20.760 27 HZ3 LYS 3 1HZ LYS 3 4.070 1.267 -20.591 28 H TRP 4 H TRP 4 -1.556 -0.014 -14.566 29 HA TRP 4 HA TRP 4 -1.511 -2.715 -13.842 30 HD1 TRP 4 HD1 TRP 4 -4.829 -0.693 -11.885 31 HE1 TRP 4 HE1 TRP 4 -5.165 -2.348 -9.856 32 HE3 TRP 4 HE3 TRP 4 -2.323 -4.594 -13.972 33 HZ2 TRP 4 HZ2 TRP 4 -4.362 -5.042 -9.364 34 HZ3 TRP 4 HZ3 TRP 4 -2.144 -6.700 -12.650 35 HH2 TRP 4 HH2 TRP 4 -3.114 -6.960 -10.422 36 HB2 TRP 4 1HB TRP 4 -3.422 -0.610 -14.118 37 HB3 TRP 4 2HB TRP 4 -4.043 -2.027 -14.943 38 H THR 5 H THR 5 -0.811 -4.339 -15.170 39 HA THR 5 HA THR 5 -1.726 -4.240 -17.968 40 HB THR 5 HB THR 5 0.931 -5.409 -17.027 41 HG1 THR 5 HG1 THR 5 0.454 -3.006 -16.566 42 HG21 THR 5 3HG2 THR 5 -0.139 -4.320 -19.684 43 HG22 THR 5 1HG2 THR 5 1.561 -4.767 -19.401 44 HG23 THR 5 2HG2 THR 5 0.290 -6.011 -19.332 45 H TYR 6 H TYR 6 -3.225 -5.750 -18.296 46 HA TYR 6 HA TYR 6 -2.649 -8.459 -17.646 47 HD1 TYR 6 HD1 TYR 6 -6.781 -8.426 -16.183 48 HD2 TYR 6 HD2 TYR 6 -2.844 -9.930 -15.448 49 HE1 TYR 6 HE1 TYR 6 -7.756 -10.685 -15.542 50 HE2 TYR 6 HE2 TYR 6 -3.832 -12.184 -14.809 51 HH TYR 6 HH TYR 6 -5.769 -13.171 -14.134 52 HB2 TYR 6 1HB TYR 6 -3.482 -7.369 -15.453 53 HB3 TYR 6 2HB TYR 6 -4.970 -6.957 -16.282 54 H ASN 7 H ASN 7 -3.514 -9.650 -19.272 55 HA ASN 7 HA ASN 7 -4.946 -10.361 -20.760 56 HB2 ASN 7 1HB ASN 7 -6.750 -9.363 -19.115 57 HB3 ASN 7 2HB ASN 7 -6.842 -8.029 -20.248 58 HD21 ASN 7 2HD2 ASN 7 -8.827 -9.636 -22.579 59 HD22 ASN 7 1HD2 ASN 7 -8.060 -8.198 -21.992 60 H GLY 8 H GLY 8 -2.881 -8.130 -21.049 61 HA2 GLY 8 1HA GLY 8 -2.062 -6.825 -22.684 62 HA3 GLY 8 2HA GLY 8 -3.232 -7.547 -23.771 63 H ILE 9 H ILE 9 -3.888 -5.656 -20.761 64 HA ILE 9 HA ILE 9 -5.005 -3.544 -22.462 65 HB ILE 9 HB ILE 9 -7.043 -3.686 -21.597 66 HG12 ILE 9 1HG1 ILE 9 -6.530 -2.799 -19.456 67 HG13 ILE 9 2HG1 ILE 9 -7.523 -4.218 -19.190 68 HG21 ILE 9 1HG2 ILE 9 -7.656 -5.988 -20.726 69 HG22 ILE 9 2HG2 ILE 9 -6.853 -5.929 -22.313 70 HG23 ILE 9 3HG2 ILE 9 -5.930 -6.398 -20.865 71 HD11 ILE 9 3HD1 ILE 9 -4.943 -3.690 -18.115 72 HD12 ILE 9 1HD1 ILE 9 -5.896 -5.185 -17.950 73 HD13 ILE 9 2HD1 ILE 9 -4.730 -5.015 -19.285 74 H THR 10 H THR 10 -5.527 -1.544 -20.901 75 HA THR 10 HA THR 10 -3.422 -1.331 -18.878 76 HB THR 10 HB THR 10 -3.859 0.735 -21.092 77 HG1 THR 10 HG1 THR 10 -2.097 -0.370 -22.086 78 HG21 THR 10 3HG2 THR 10 -2.690 1.422 -18.899 79 HG22 THR 10 1HG2 THR 10 -1.445 0.211 -19.289 80 HG23 THR 10 2HG2 THR 10 -1.705 1.601 -20.371 81 H TYR 11 H TYR 11 -3.945 -0.103 -17.113 82 HA TYR 11 HA TYR 11 -6.572 1.216 -17.249 83 HD1 TYR 11 HD1 TYR 11 -7.768 -0.329 -17.673 84 HD2 TYR 11 HD2 TYR 11 -6.014 -2.615 -14.511 85 HE1 TYR 11 HE1 TYR 11 -8.977 -2.409 -18.496 86 HE2 TYR 11 HE2 TYR 11 -7.229 -4.687 -15.345 87 HH TYR 11 HH TYR 11 -9.408 -4.494 -18.146 88 HB2 TYR 11 1HB TYR 11 -5.185 -0.410 -15.026 89 HB3 TYR 11 2HB TYR 11 -6.723 0.404 -14.816 90 H GLU 12 H GLU 12 -5.666 3.303 -17.579 91 HA GLU 12 HA GLU 12 -3.534 4.223 -16.021 92 HE2 GLU 12 HE2 GLU 12 -1.897 8.244 -19.414 93 HB2 GLU 12 1HB GLU 12 -4.941 5.109 -18.264 94 HB3 GLU 12 2HB GLU 12 -5.363 6.302 -17.051 95 HG2 GLU 12 1HG GLU 12 -2.967 6.710 -16.568 96 HG3 GLU 12 2HG GLU 12 -2.500 5.447 -17.689 97 H GLY 13 H GLY 13 -3.515 4.826 -13.901 98 HA2 GLY 13 1HA GLY 13 -5.471 4.621 -12.098 99 HA3 GLY 13 2HA GLY 13 -4.211 5.833 -11.987 100 H GLY 14 H GLY 14 -4.599 8.012 -12.874 101 HA2 GLY 14 1HA GLY 14 -7.390 8.772 -12.559 102 HA3 GLY 14 2HA GLY 14 -5.994 9.827 -12.643 103 H GLY 15 H GLY 15 -8.268 7.826 -14.558 104 HA2 GLY 15 1HA GLY 15 -7.681 9.540 -16.882 105 HA3 GLY 15 2HA GLY 15 -7.678 7.796 -17.053 106 H GLY 16 H GLY 16 -9.532 7.127 -18.040 107 HA2 GLY 16 1HA GLY 16 -12.067 8.331 -17.098 108 HA3 GLY 16 2HA GLY 16 -11.743 7.979 -18.784 109 H GLY 17 H GLY 17 -13.970 6.872 -17.398 110 HA2 GLY 17 1HA GLY 17 -14.544 4.536 -18.059 111 HA3 GLY 17 2HA GLY 17 -13.164 4.041 -17.100 112 H GLY 18 H GLY 18 -16.029 3.335 -16.732 113 HA2 GLY 18 1HA GLY 18 -17.169 4.806 -14.612 114 HA3 GLY 18 2HA GLY 18 -17.573 3.173 -15.104 115 H GLY 19 H GLY 19 -16.941 4.675 -12.397 116 HA2 GLY 19 1HA GLY 19 -16.401 3.660 -10.395 117 HA3 GLY 19 2HA GLY 19 -15.503 2.416 -11.241 118 H GLY 20 H GLY 20 -15.432 6.022 -10.753 119 HA2 GLY 20 1HA GLY 20 -12.571 6.102 -11.129 120 HA3 GLY 20 2HA GLY 20 -13.643 7.433 -10.741 121 H SER 21 H SER 21 -12.310 8.263 -9.054 122 HA SER 21 HA SER 21 -11.673 6.473 -6.901 123 HG SER 21 HG SER 21 -8.945 7.890 -7.506 124 HB2 SER 21 1HB SER 21 -11.147 9.468 -7.105 125 HB3 SER 21 2HB SER 21 -10.383 8.345 -5.998 126 H ALA 22 H ALA 22 -14.451 6.683 -7.228 127 HA ALA 22 HA ALA 22 -15.396 8.712 -5.391 128 HB1 ALA 22 3HB ALA 22 -16.609 8.162 -7.496 129 HB2 ALA 22 1HB ALA 22 -16.870 6.509 -6.889 130 HB3 ALA 22 2HB ALA 22 -17.607 7.893 -6.047 131 H ALA 23 H ALA 23 -14.150 7.918 -3.515 132 HA ALA 23 HA ALA 23 -14.182 6.943 -1.517 133 HB1 ALA 23 3HB ALA 23 -16.738 6.975 -1.921 134 HB2 ALA 23 1HB ALA 23 -16.561 5.253 -2.335 135 HB3 ALA 23 2HB ALA 23 -16.108 5.830 -0.713 136 H GLU 24 H GLU 24 -12.884 5.925 -4.058 137 HA GLU 24 HA GLU 24 -12.872 3.093 -3.681 138 HE2 GLU 24 HE2 GLU 24 -8.389 4.037 -7.520 139 HB2 GLU 24 1HB GLU 24 -11.661 2.989 -5.685 140 HB3 GLU 24 2HB GLU 24 -12.613 4.444 -5.911 141 HG2 GLU 24 1HG GLU 24 -10.709 5.854 -5.219 142 HG3 GLU 24 2HG GLU 24 -9.758 4.437 -4.825 143 H ALA 25 H ALA 25 -11.106 5.899 -2.546 144 HA ALA 25 HA ALA 25 -8.678 4.544 -1.955 145 HB1 ALA 25 3HB ALA 25 -8.473 6.863 -2.204 146 HB2 ALA 25 1HB ALA 25 -9.945 7.196 -1.261 147 HB3 ALA 25 2HB ALA 25 -8.459 6.668 -0.435 148 H TYR 26 H TYR 26 -11.186 5.960 0.269 149 HA TYR 26 HA TYR 26 -10.476 4.943 2.601 150 HD1 TYR 26 HD1 TYR 26 -14.536 4.960 0.155 151 HD2 TYR 26 HD2 TYR 26 -13.078 3.015 3.676 152 HE1 TYR 26 HE1 TYR 26 -16.356 3.197 -0.056 153 HE2 TYR 26 HE2 TYR 26 -14.903 1.259 3.453 154 HH TYR 26 HH TYR 26 -16.449 0.431 2.143 155 HB2 TYR 26 1HB TYR 26 -12.669 5.600 3.047 156 HB3 TYR 26 2HB TYR 26 -12.791 5.938 1.332 157 H ALA 27 H ALA 27 -11.779 3.036 -0.126 158 HA ALA 27 HA ALA 27 -12.315 0.704 1.346 159 HB1 ALA 27 3HB ALA 27 -13.205 0.214 -0.655 160 HB2 ALA 27 1HB ALA 27 -12.417 1.642 -1.368 161 HB3 ALA 27 2HB ALA 27 -11.569 0.078 -1.343 162 H LYS 28 H LYS 28 -9.663 1.128 -1.095 163 HA LYS 28 HA LYS 28 -8.126 -0.947 -0.440 164 HB2 LYS 28 1HB LYS 28 -6.188 0.390 -1.222 165 HB3 LYS 28 2HB LYS 28 -7.585 0.507 -2.272 166 HG2 LYS 28 1HG LYS 28 -8.135 2.708 -1.498 167 HG3 LYS 28 2HG LYS 28 -7.126 2.555 -0.073 168 HD2 LYS 28 1HD LYS 28 -5.937 2.451 -2.874 169 HD3 LYS 28 2HD LYS 28 -6.215 3.976 -2.057 170 HE2 LYS 28 1HE LYS 28 -4.789 3.229 -0.149 171 HE3 LYS 28 2HE LYS 28 -4.534 1.683 -0.933 172 HZ1 LYS 28 2HZ LYS 28 -2.831 2.646 -2.009 173 HZ3 LYS 28 1HZ LYS 28 -3.184 4.123 -1.421 174 H ARG 29 H ARG 29 -8.357 2.149 1.375 175 HA ARG 29 HA ARG 29 -6.273 1.564 3.111 176 HE ARG 29 HE ARG 29 -4.831 5.037 0.581 177 HB2 ARG 29 1HB ARG 29 -8.749 3.267 3.685 178 HB3 ARG 29 2HB ARG 29 -7.200 3.392 4.495 179 HG2 ARG 29 1HG ARG 29 -7.708 3.938 1.532 180 HG3 ARG 29 2HG ARG 29 -7.451 5.157 2.765 181 HD2 ARG 29 1HD ARG 29 -5.178 3.975 3.231 182 HD3 ARG 29 2HD ARG 29 -5.445 3.108 1.732 183 HH11 ARG 29 1HH1 ARG 29 -6.012 5.997 3.781 184 HH12 ARG 29 2HH1 ARG 29 -5.659 7.676 3.544 185 HH21 ARG 29 1HH2 ARG 29 -4.692 8.391 1.471 186 H ILE 30 H ILE 30 -9.872 1.153 3.372 187 HA ILE 30 HA ILE 30 -10.183 0.304 5.885 188 HB ILE 30 HB ILE 30 -11.405 -0.739 3.338 189 HG12 ILE 30 1HG1 ILE 30 -11.686 1.668 4.784 190 HG13 ILE 30 2HG1 ILE 30 -12.627 1.112 3.414 191 HG21 ILE 30 1HG2 ILE 30 -11.529 -2.456 5.146 192 HG22 ILE 30 2HG2 ILE 30 -12.410 -1.274 6.144 193 HG23 ILE 30 3HG2 ILE 30 -13.111 -1.841 4.609 194 HD11 ILE 30 3HD1 ILE 30 -14.121 -0.163 4.998 195 HD12 ILE 30 1HD1 ILE 30 -13.208 0.539 6.355 196 HD13 ILE 30 2HD1 ILE 30 -14.143 1.596 5.270 197 H ALA 31 H ALA 31 -9.331 -1.942 3.152 198 HA ALA 31 HA ALA 31 -8.985 -4.230 4.497 199 HB1 ALA 31 3HB ALA 31 -6.875 -4.394 2.822 200 HB2 ALA 31 1HB ALA 31 -8.561 -4.469 2.254 201 HB3 ALA 31 2HB ALA 31 -7.654 -2.940 2.152 202 H GLU 32 H GLU 32 -6.417 -1.680 4.122 203 HA GLU 32 HA GLU 32 -4.494 -2.874 5.586 204 HE2 GLU 32 HE2 GLU 32 -1.475 1.271 3.810 205 HB2 GLU 32 1HB GLU 32 -5.193 0.095 5.525 206 HB3 GLU 32 2HB GLU 32 -3.654 -0.557 6.051 207 HG2 GLU 32 1HG GLU 32 -4.079 -1.778 3.545 208 HG3 GLU 32 2HG GLU 32 -4.668 -0.143 3.318 209 H ALA 33 H ALA 33 -7.073 -0.632 6.829 210 HA ALA 33 HA ALA 33 -6.360 -0.675 9.481 211 HB1 ALA 33 3HB ALA 33 -8.777 -0.123 9.865 212 HB2 ALA 33 1HB ALA 33 -8.028 0.840 8.569 213 HB3 ALA 33 2HB ALA 33 -9.098 -0.522 8.160 214 H MET 34 H MET 34 -8.616 -2.897 7.703 215 HA MET 34 HA MET 34 -9.194 -4.456 9.913 216 HB2 MET 34 1HB MET 34 -9.132 -5.067 6.908 217 HB3 MET 34 2HB MET 34 -9.815 -6.175 8.083 218 HG2 MET 34 1HG MET 34 -11.099 -3.843 8.798 219 HG3 MET 34 2HG MET 34 -10.893 -3.575 7.078 220 HE1 MET 34 3HE MET 34 -12.782 -4.262 5.513 221 HE2 MET 34 1HE MET 34 -11.443 -5.413 5.284 222 HE3 MET 34 2HE MET 34 -13.122 -6.001 5.344 223 H ALA 35 H ALA 35 -6.247 -4.102 8.198 224 HA ALA 35 HA ALA 35 -5.370 -6.821 8.731 225 HB1 ALA 35 3HB ALA 35 -4.288 -6.360 6.809 226 HB2 ALA 35 1HB ALA 35 -4.641 -4.621 6.946 227 HB3 ALA 35 2HB ALA 35 -3.220 -5.308 7.769 228 H LYS 36 H LYS 36 -4.076 -3.478 9.370 229 HA LYS 36 HA LYS 36 -2.331 -4.291 11.365 230 HB2 LYS 36 1HB LYS 36 -2.028 -2.188 10.283 231 HB3 LYS 36 2HB LYS 36 -3.627 -1.633 10.735 232 HG2 LYS 36 1HG LYS 36 -2.178 -0.572 12.298 233 HG3 LYS 36 2HG LYS 36 -2.877 -1.904 13.196 234 HD2 LYS 36 1HD LYS 36 -0.868 -3.281 12.820 235 HD3 LYS 36 2HD LYS 36 -0.182 -2.060 11.767 236 HE2 LYS 36 1HE LYS 36 0.890 -1.697 13.866 237 HE3 LYS 36 2HE LYS 36 -0.324 -0.437 13.778 238 HZ1 LYS 36 2HZ LYS 36 -1.737 -2.352 14.964 239 HZ3 LYS 36 1HZ LYS 36 -0.845 -1.289 15.817 240 H GLY 37 H GLY 37 -5.563 -2.662 11.744 241 HA2 GLY 37 1HA GLY 37 -5.767 -2.872 14.483 242 HA3 GLY 37 2HA GLY 37 -7.113 -2.840 13.362 Start of MODEL 20 1 HA ARG 1 HA ARG 1 -0.899 4.455 -26.221 2 HE ARG 1 HE ARG 1 2.632 8.437 -26.642 3 H1 ARG 1 1H ARG 1 -1.727 6.293 -28.260 4 HB2 ARG 1 1HB ARG 1 1.084 5.923 -26.022 5 HB3 ARG 1 2HB ARG 1 0.789 5.543 -27.707 6 HG2 ARG 1 1HG ARG 1 0.989 7.819 -27.971 7 HG3 ARG 1 2HG ARG 1 -0.706 7.809 -27.528 8 HD2 ARG 1 1HD ARG 1 0.087 9.371 -25.991 9 HD3 ARG 1 2HD ARG 1 0.261 7.913 -25.035 10 HH11 ARG 1 1HH1 ARG 1 0.995 9.317 -23.625 11 HH12 ARG 1 2HH1 ARG 1 2.454 9.808 -22.832 12 HH21 ARG 1 1HH2 ARG 1 4.537 9.663 -24.009 13 H GLY 2 H GLY 2 -1.240 4.756 -24.013 14 HA2 GLY 2 1HA GLY 2 -1.301 6.858 -22.441 15 HA3 GLY 2 2HA GLY 2 -2.845 7.078 -23.240 16 H LYS 3 H LYS 3 -0.968 4.262 -21.888 17 HA LYS 3 HA LYS 3 -3.444 3.494 -20.502 18 HB2 LYS 3 1HB LYS 3 -2.817 1.182 -20.778 19 HB3 LYS 3 2HB LYS 3 -2.853 1.963 -22.346 20 HG2 LYS 3 1HG LYS 3 -0.309 2.353 -22.055 21 HG3 LYS 3 2HG LYS 3 -0.395 1.260 -20.688 22 HD2 LYS 3 1HD LYS 3 -1.749 0.180 -23.085 23 HD3 LYS 3 2HD LYS 3 -0.052 0.516 -23.368 24 HE2 LYS 3 1HE LYS 3 -0.793 -0.913 -20.815 25 HE3 LYS 3 2HE LYS 3 -0.873 -1.821 -22.312 26 HZ1 LYS 3 2HZ LYS 3 1.334 -2.019 -21.408 27 HZ3 LYS 3 1HZ LYS 3 1.518 -0.407 -21.264 28 H TRP 4 H TRP 4 -2.539 1.674 -18.698 29 HA TRP 4 HA TRP 4 -0.169 2.636 -17.397 30 HD1 TRP 4 HD1 TRP 4 -4.118 4.629 -17.524 31 HE1 TRP 4 HE1 TRP 4 -6.501 3.883 -16.670 32 HE3 TRP 4 HE3 TRP 4 -2.419 1.297 -14.079 33 HZ2 TRP 4 HZ2 TRP 4 -7.388 2.025 -14.694 34 HZ3 TRP 4 HZ3 TRP 4 -4.110 0.059 -12.729 35 HH2 TRP 4 HH2 TRP 4 -6.519 0.379 -12.993 36 HB2 TRP 4 1HB TRP 4 -1.326 3.260 -15.302 37 HB3 TRP 4 2HB TRP 4 -1.584 4.375 -16.628 38 H THR 5 H THR 5 0.715 0.626 -17.085 39 HA THR 5 HA THR 5 -1.064 -1.584 -16.411 40 HB THR 5 HB THR 5 1.897 -1.381 -17.169 41 HG1 THR 5 HG1 THR 5 -0.559 -2.393 -18.422 42 HG21 THR 5 3HG2 THR 5 2.105 -3.586 -16.618 43 HG22 THR 5 1HG2 THR 5 0.471 -3.553 -15.913 44 HG23 THR 5 2HG2 THR 5 0.691 -3.969 -17.630 45 H TYR 6 H TYR 6 -0.914 -2.842 -14.540 46 HA TYR 6 HA TYR 6 0.710 -1.620 -12.413 47 HD1 TYR 6 HD1 TYR 6 -1.790 -2.538 -9.368 48 HD2 TYR 6 HD2 TYR 6 -0.940 0.552 -12.202 49 HE1 TYR 6 HE1 TYR 6 -1.728 -0.823 -7.491 50 HE2 TYR 6 HE2 TYR 6 -0.881 2.256 -10.316 51 HH TYR 6 HH TYR 6 -1.352 1.231 -6.946 52 HB2 TYR 6 1HB TYR 6 -2.133 -1.797 -12.770 53 HB3 TYR 6 2HB TYR 6 -1.756 -3.070 -11.626 54 H ASN 7 H ASN 7 -1.126 -4.575 -13.458 55 HA ASN 7 HA ASN 7 0.779 -6.112 -11.892 56 HB2 ASN 7 1HB ASN 7 -1.835 -6.344 -11.667 57 HB3 ASN 7 2HB ASN 7 -1.755 -7.197 -13.196 58 HD21 ASN 7 2HD2 ASN 7 -0.472 -8.874 -9.678 59 HD22 ASN 7 1HD2 ASN 7 -0.949 -7.215 -9.821 60 H GLY 8 H GLY 8 -0.541 -5.423 -15.124 61 HA2 GLY 8 1HA GLY 8 1.551 -6.177 -16.643 62 HA3 GLY 8 2HA GLY 8 0.714 -7.697 -16.398 63 H ILE 9 H ILE 9 -1.997 -6.465 -16.187 64 HA ILE 9 HA ILE 9 -2.683 -6.573 -18.890 65 HB ILE 9 HB ILE 9 -4.071 -5.831 -16.350 66 HG12 ILE 9 1HG1 ILE 9 -3.784 -8.180 -16.801 67 HG13 ILE 9 2HG1 ILE 9 -5.478 -7.764 -16.974 68 HG21 ILE 9 1HG2 ILE 9 -5.341 -5.593 -19.091 69 HG22 ILE 9 2HG2 ILE 9 -6.144 -5.384 -17.516 70 HG23 ILE 9 3HG2 ILE 9 -4.896 -4.228 -18.040 71 HD11 ILE 9 3HD1 ILE 9 -3.600 -8.796 -18.984 72 HD12 ILE 9 1HD1 ILE 9 -5.379 -8.762 -19.011 73 HD13 ILE 9 2HD1 ILE 9 -4.454 -7.341 -19.550 74 H THR 10 H THR 10 -3.891 -4.764 -20.078 75 HA THR 10 HA THR 10 -2.118 -2.548 -20.282 76 HB THR 10 HB THR 10 -4.806 -3.288 -21.546 77 HG1 THR 10 HG1 THR 10 -3.370 -4.155 -23.055 78 HG21 THR 10 3HG2 THR 10 -3.767 -0.711 -21.523 79 HG22 THR 10 1HG2 THR 10 -2.955 -1.417 -22.941 80 HG23 THR 10 2HG2 THR 10 -4.732 -1.390 -22.855 81 H TYR 11 H TYR 11 -5.561 -2.873 -19.192 82 HA TYR 11 HA TYR 11 -6.818 -1.542 -17.941 83 HD1 TYR 11 HD1 TYR 11 -6.472 -3.372 -17.272 84 HD2 TYR 11 HD2 TYR 11 -4.296 -1.478 -14.113 85 HE1 TYR 11 HE1 TYR 11 -7.000 -5.323 -15.729 86 HE2 TYR 11 HE2 TYR 11 -4.830 -3.435 -12.581 87 HH TYR 11 HH TYR 11 -6.887 -6.099 -13.710 88 HB2 TYR 11 1HB TYR 11 -3.965 -1.135 -16.917 89 HB3 TYR 11 2HB TYR 11 -5.258 -0.207 -16.184 90 H GLU 12 H GLU 12 -5.847 -0.477 -20.528 91 HA GLU 12 HA GLU 12 -4.917 2.043 -20.465 92 HE2 GLU 12 HE2 GLU 12 -8.578 4.402 -22.832 93 HB2 GLU 12 1HB GLU 12 -5.549 0.588 -22.482 94 HB3 GLU 12 2HB GLU 12 -7.196 1.154 -22.280 95 HG2 GLU 12 1HG GLU 12 -5.233 3.364 -22.250 96 HG3 GLU 12 2HG GLU 12 -5.180 2.443 -23.740 97 H GLY 13 H GLY 13 -8.017 0.868 -19.306 98 HA2 GLY 13 1HA GLY 13 -9.409 2.023 -17.881 99 HA3 GLY 13 2HA GLY 13 -8.664 3.539 -18.345 100 H GLY 14 H GLY 14 -11.573 2.244 -18.331 101 HA2 GLY 14 1HA GLY 14 -12.571 3.803 -20.475 102 HA3 GLY 14 2HA GLY 14 -12.539 2.111 -20.932 103 H GLY 15 H GLY 15 -14.755 4.179 -20.141 104 HA2 GLY 15 1HA GLY 15 -16.914 3.428 -19.518 105 HA3 GLY 15 2HA GLY 15 -16.196 2.313 -18.373 106 H GLY 16 H GLY 16 -17.077 5.698 -19.014 107 HA2 GLY 16 1HA GLY 16 -17.686 7.294 -17.517 108 HA3 GLY 16 2HA GLY 16 -17.293 6.216 -16.193 109 H GLY 17 H GLY 17 -15.136 6.141 -15.332 110 HA2 GLY 17 1HA GLY 17 -12.804 7.040 -16.165 111 HA3 GLY 17 2HA GLY 17 -13.612 8.571 -15.893 112 H GLY 18 H GLY 18 -11.275 7.508 -14.450 113 HA2 GLY 18 1HA GLY 18 -12.030 8.143 -11.818 114 HA3 GLY 18 2HA GLY 18 -11.941 6.399 -11.966 115 H GLY 19 H GLY 19 -10.180 8.905 -10.889 116 HA2 GLY 19 1HA GLY 19 -7.753 9.068 -12.048 117 HA3 GLY 19 2HA GLY 19 -7.996 9.039 -10.313 118 H GLY 20 H GLY 20 -8.586 6.574 -9.525 119 HA2 GLY 20 1HA GLY 20 -7.396 4.427 -10.892 120 HA3 GLY 20 2HA GLY 20 -6.208 5.118 -9.806 121 H SER 21 H SER 21 -7.134 5.642 -7.473 122 HA SER 21 HA SER 21 -8.606 3.255 -6.704 123 HG SER 21 HG SER 21 -7.028 2.110 -5.145 124 HB2 SER 21 1HB SER 21 -6.490 4.936 -5.384 125 HB3 SER 21 2HB SER 21 -7.654 4.142 -4.343 126 H ALA 22 H ALA 22 -10.769 3.974 -6.962 127 HA ALA 22 HA ALA 22 -11.574 6.532 -5.983 128 HB1 ALA 22 3HB ALA 22 -13.104 6.035 -7.561 129 HB2 ALA 22 1HB ALA 22 -12.666 4.310 -7.540 130 HB3 ALA 22 2HB ALA 22 -13.847 4.943 -6.368 131 H ALA 23 H ALA 23 -10.841 6.484 -3.760 132 HA ALA 23 HA ALA 23 -11.250 6.301 -1.589 133 HB1 ALA 23 3HB ALA 23 -13.672 6.490 -2.357 134 HB2 ALA 23 1HB ALA 23 -13.753 4.714 -2.262 135 HB3 ALA 23 2HB ALA 23 -13.423 5.671 -0.797 136 H GLU 24 H GLU 24 -9.815 4.267 -3.324 137 HA GLU 24 HA GLU 24 -10.182 1.930 -1.635 138 HE2 GLU 24 HE2 GLU 24 -10.081 -1.598 -5.712 139 HB2 GLU 24 1HB GLU 24 -8.982 2.343 -4.389 140 HB3 GLU 24 2HB GLU 24 -8.609 0.901 -3.466 141 HG2 GLU 24 1HG GLU 24 -11.434 1.226 -3.264 142 HG3 GLU 24 2HG GLU 24 -11.042 1.560 -4.939 143 H ALA 25 H ALA 25 -8.047 4.609 -2.378 144 HA ALA 25 HA ALA 25 -5.622 3.474 -1.536 145 HB1 ALA 25 3HB ALA 25 -6.656 6.005 -2.434 146 HB2 ALA 25 1HB ALA 25 -5.682 6.272 -0.968 147 HB3 ALA 25 2HB ALA 25 -4.966 5.450 -2.375 148 H TYR 26 H TYR 26 -8.441 4.808 0.165 149 HA TYR 26 HA TYR 26 -7.020 4.972 2.672 150 HD1 TYR 26 HD1 TYR 26 -11.344 5.569 0.785 151 HD2 TYR 26 HD2 TYR 26 -9.805 3.946 4.431 152 HE1 TYR 26 HE1 TYR 26 -13.543 4.355 1.181 153 HE2 TYR 26 HE2 TYR 26 -12.009 2.737 4.815 154 HH TYR 26 HH TYR 26 -14.656 3.024 2.457 155 HB2 TYR 26 1HB TYR 26 -8.934 6.221 3.193 156 HB3 TYR 26 2HB TYR 26 -9.219 6.182 1.465 157 H ALA 27 H ALA 27 -9.541 2.897 1.116 158 HA ALA 27 HA ALA 27 -9.885 1.266 3.401 159 HB1 ALA 27 3HB ALA 27 -11.660 1.378 1.820 160 HB2 ALA 27 1HB ALA 27 -10.574 1.016 0.457 161 HB3 ALA 27 2HB ALA 27 -10.972 -0.254 1.639 162 H LYS 28 H LYS 28 -7.279 1.673 1.249 163 HA LYS 28 HA LYS 28 -6.466 -0.993 0.913 164 HB2 LYS 28 1HB LYS 28 -5.372 0.329 -0.566 165 HB3 LYS 28 2HB LYS 28 -5.329 1.710 0.511 166 HG2 LYS 28 1HG LYS 28 -3.513 0.653 1.837 167 HG3 LYS 28 2HG LYS 28 -3.585 -0.779 0.830 168 HD2 LYS 28 1HD LYS 28 -1.935 0.255 -0.374 169 HD3 LYS 28 2HD LYS 28 -3.259 1.143 -1.102 170 HE2 LYS 28 1HE LYS 28 -2.682 3.102 -0.062 171 HE3 LYS 28 2HE LYS 28 -2.386 2.311 1.474 172 HZ1 LYS 28 2HZ LYS 28 -0.492 3.039 -0.523 173 HZ3 LYS 28 1HZ LYS 28 -0.350 1.454 -0.180 174 H ARG 29 H ARG 29 -6.252 1.321 3.587 175 HA ARG 29 HA ARG 29 -4.373 -0.399 4.929 176 HE ARG 29 HE ARG 29 -4.576 5.608 3.906 177 HB2 ARG 29 1HB ARG 29 -5.616 2.013 6.258 178 HB3 ARG 29 2HB ARG 29 -3.980 1.403 6.396 179 HG2 ARG 29 1HG ARG 29 -3.374 3.010 4.910 180 HG3 ARG 29 2HG ARG 29 -4.170 2.051 3.678 181 HD2 ARG 29 1HD ARG 29 -5.752 3.655 3.404 182 HD3 ARG 29 2HD ARG 29 -6.209 3.531 5.091 183 HH11 ARG 29 1HH1 ARG 29 -5.015 3.768 6.902 184 HH12 ARG 29 2HH1 ARG 29 -4.339 5.006 7.908 185 HH21 ARG 29 1HH2 ARG 29 -3.564 7.040 6.905 186 H ILE 30 H ILE 30 -7.672 1.050 5.424 187 HA ILE 30 HA ILE 30 -8.399 0.019 7.779 188 HB ILE 30 HB ILE 30 -10.165 -0.052 5.335 189 HG12 ILE 30 1HG1 ILE 30 -9.327 2.082 5.135 190 HG13 ILE 30 2HG1 ILE 30 -10.706 2.354 6.181 191 HG21 ILE 30 1HG2 ILE 30 -10.608 -0.148 8.273 192 HG22 ILE 30 2HG2 ILE 30 -11.734 0.842 7.313 193 HG23 ILE 30 3HG2 ILE 30 -11.529 -0.887 6.941 194 HD11 ILE 30 3HD1 ILE 30 -9.048 3.506 7.352 195 HD12 ILE 30 1HD1 ILE 30 -8.934 1.907 8.127 196 HD13 ILE 30 2HD1 ILE 30 -7.768 2.369 6.863 197 H ALA 31 H ALA 31 -7.851 -1.781 4.759 198 HA ALA 31 HA ALA 31 -9.144 -4.121 5.260 199 HB1 ALA 31 3HB ALA 31 -6.367 -4.382 4.240 200 HB2 ALA 31 1HB ALA 31 -7.909 -4.878 3.502 201 HB3 ALA 31 2HB ALA 31 -7.377 -3.182 3.398 202 H GLU 32 H GLU 32 -5.811 -3.188 6.369 203 HA GLU 32 HA GLU 32 -5.196 -5.463 7.682 204 HE2 GLU 32 HE2 GLU 32 -2.928 -2.603 10.995 205 HB2 GLU 32 1HB GLU 32 -3.497 -4.232 8.734 206 HB3 GLU 32 2HB GLU 32 -3.852 -3.249 7.327 207 HG2 GLU 32 1HG GLU 32 -5.365 -1.813 8.706 208 HG3 GLU 32 2HG GLU 32 -5.024 -2.800 10.113 209 H ALA 33 H ALA 33 -7.029 -2.611 8.971 210 HA ALA 33 HA ALA 33 -7.350 -3.442 11.557 211 HB1 ALA 33 3HB ALA 33 -8.018 -1.245 10.516 212 HB2 ALA 33 1HB ALA 33 -9.445 -2.062 9.834 213 HB3 ALA 33 2HB ALA 33 -9.248 -1.940 11.599 214 H MET 34 H MET 34 -9.720 -3.987 8.846 215 HA MET 34 HA MET 34 -11.033 -5.960 10.428 216 HB2 MET 34 1HB MET 34 -12.386 -6.192 8.217 217 HB3 MET 34 2HB MET 34 -12.437 -4.621 8.992 218 HG2 MET 34 1HG MET 34 -11.218 -3.597 7.316 219 HG3 MET 34 2HG MET 34 -10.180 -4.987 7.072 220 HE1 MET 34 3HE MET 34 -11.478 -2.942 5.321 221 HE2 MET 34 1HE MET 34 -12.009 -3.800 3.855 222 HE3 MET 34 2HE MET 34 -13.214 -3.165 5.000 223 H ALA 35 H ALA 35 -8.642 -7.035 10.442 224 HA ALA 35 HA ALA 35 -8.561 -8.920 8.188 225 HB1 ALA 35 3HB ALA 35 -6.143 -9.199 8.933 226 HB2 ALA 35 1HB ALA 35 -6.554 -7.607 8.252 227 HB3 ALA 35 2HB ALA 35 -6.400 -7.809 10.014 228 H LYS 36 H LYS 36 -10.445 -9.884 9.548 229 HA LYS 36 HA LYS 36 -9.271 -11.984 11.139 230 HB2 LYS 36 1HB LYS 36 -10.616 -9.704 12.364 231 HB3 LYS 36 2HB LYS 36 -11.423 -11.212 12.744 232 HG2 LYS 36 1HG LYS 36 -9.823 -11.337 14.391 233 HG3 LYS 36 2HG LYS 36 -8.847 -12.015 13.103 234 HD2 LYS 36 1HD LYS 36 -7.371 -10.325 13.429 235 HD3 LYS 36 2HD LYS 36 -8.568 -9.227 12.770 236 HE2 LYS 36 1HE LYS 36 -9.148 -8.394 14.840 237 HE3 LYS 36 2HE LYS 36 -9.021 -9.957 15.623 238 HZ1 LYS 36 2HZ LYS 36 -6.986 -7.928 15.306 239 HZ3 LYS 36 1HZ LYS 36 -6.446 -9.435 15.008 240 H GLY 37 H GLY 37 -11.255 -13.486 11.894 241 HA2 GLY 37 1HA GLY 37 -12.802 -13.914 9.439 242 HA3 GLY 37 2HA GLY 37 -12.487 -15.077 10.711
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