NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7756 | 1kz2 | 5290 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 -4.934 9.091 1.352 2 2H ARG 1 2HT ARG 1 -5.240 8.168 -0.038 3 3H ARG 1 3HT ARG 1 -4.248 7.549 1.192 4 HA ARG 1 HA ARG 1 -6.121 7.468 2.716 5 1HB ARG 1 2HB ARG 1 -8.343 8.112 1.816 6 2HB ARG 1 1HB ARG 1 -7.209 9.464 1.775 7 1HG ARG 1 2HG ARG 1 -6.801 9.131 -0.590 8 2HG ARG 1 1HG ARG 1 -7.746 7.642 -0.588 9 1HD ARG 1 2HD ARG 1 -8.936 10.321 0.188 10 2HD ARG 1 1HD ARG 1 -8.990 9.683 -1.468 11 HE ARG 1 HE ARG 1 -9.852 7.668 0.405 12 1HH1 ARG 1 1HH1 ARG 1 -10.898 9.307 -2.223 13 2HH1 ARG 1 2HH1 ARG 1 -12.539 9.518 -1.711 14 1HH2 ARG 1 1HH2 ARG 1 -11.934 8.487 1.544 15 2HH2 ARG 1 2HH2 ARG 1 -13.125 9.054 0.423 16 H GLN 2 H GLN 2 -5.948 6.631 -0.720 17 HA GLN 2 HA GLN 2 -6.552 3.823 -0.033 18 1HB GLN 2 2HB GLN 2 -8.072 5.677 -1.819 19 2HB GLN 2 1HB GLN 2 -8.066 3.937 -2.067 20 1HG GLN 2 2HG GLN 2 -8.666 3.771 0.436 21 2HG GLN 2 1HG GLN 2 -9.102 5.473 0.296 22 1HE2 GLN 2 1HE2 GLN 2 -11.404 4.916 0.635 23 2HE2 GLN 2 2HE2 GLN 2 -12.308 4.199 -0.610 24 H ILE 3 H ILE 3 -6.162 5.902 -2.921 25 HA ILE 3 HA ILE 3 -5.070 4.220 -4.720 26 HB ILE 3 HB ILE 3 -3.485 6.251 -5.227 27 1HG1 ILE 3 2HG1 ILE 3 -5.492 7.830 -3.784 28 2HG1 ILE 3 1HG1 ILE 3 -4.351 7.001 -2.737 29 1HG2 ILE 3 1HG2 ILE 3 -6.384 6.935 -5.349 30 2HG2 ILE 3 2HG2 ILE 3 -5.850 5.465 -6.164 31 3HG2 ILE 3 3HG2 ILE 3 -5.157 7.024 -6.612 32 1HD1 ILE 3 1HD1 ILE 3 -3.109 8.886 -3.143 33 2HD1 ILE 3 2HD1 ILE 3 -3.857 9.168 -4.716 34 3HD1 ILE 3 3HD1 ILE 3 -2.611 7.932 -4.541 35 H LYS 4 H LYS 4 -3.226 5.755 -2.105 36 HA LYS 4 HA LYS 4 -0.785 4.347 -2.712 37 1HB LYS 4 2HB LYS 4 -1.911 6.031 -0.500 38 2HB LYS 4 1HB LYS 4 -0.437 5.116 -0.185 39 1HG LYS 4 2HG LYS 4 0.207 7.285 -0.996 40 2HG LYS 4 1HG LYS 4 0.526 6.116 -2.279 41 1HD LYS 4 2HD LYS 4 -1.363 6.762 -3.504 42 2HD LYS 4 1HD LYS 4 -2.089 7.558 -2.112 43 1HE LYS 4 2HE LYS 4 -1.261 9.463 -3.119 44 2HE LYS 4 1HE LYS 4 0.248 8.967 -2.329 45 1HZ LYS 4 1HZ LYS 4 0.880 7.735 -4.258 46 2HZ LYS 4 2HZ LYS 4 0.468 9.302 -4.767 47 3HZ LYS 4 3HZ LYS 4 -0.615 8.015 -5.007 48 H ILE 5 H ILE 5 -3.495 3.910 -0.531 49 HA ILE 5 HA ILE 5 -2.607 1.716 1.017 50 HB ILE 5 HB ILE 5 -5.347 2.267 -0.201 51 1HG1 ILE 5 2HG1 ILE 5 -4.937 4.291 0.842 52 2HG1 ILE 5 1HG1 ILE 5 -5.501 3.383 2.236 53 1HG2 ILE 5 1HG2 ILE 5 -5.652 0.255 0.897 54 2HG2 ILE 5 2HG2 ILE 5 -5.874 1.348 2.263 55 3HG2 ILE 5 3HG2 ILE 5 -4.325 0.541 2.022 56 1HD1 ILE 5 1HD1 ILE 5 -2.681 4.118 1.465 57 2HD1 ILE 5 2HD1 ILE 5 -2.988 2.756 2.543 58 3HD1 ILE 5 3HD1 ILE 5 -3.503 4.378 3.002 59 H PHE 6 H PHE 6 -3.666 1.986 -2.290 60 HA PHE 6 HA PHE 6 -3.910 -0.916 -2.740 61 1HB PHE 6 2HB PHE 6 -3.856 1.600 -4.408 62 2HB PHE 6 1HB PHE 6 -3.749 0.028 -5.198 63 HD1 PHE 6 1HD PHE 6 -5.995 2.495 -4.278 64 HD2 PHE 6 2HD PHE 6 -5.496 -1.766 -4.064 65 HE1 PHE 6 1HE PHE 6 -8.450 2.218 -4.060 66 HE2 PHE 6 2HE PHE 6 -7.951 -2.043 -3.845 67 HZ PHE 6 HZ PHE 6 -9.428 -0.051 -3.843 68 H PHE 7 H PHE 7 -1.451 1.576 -3.011 69 HA PHE 7 HA PHE 7 0.549 -0.308 -4.133 70 1HB PHE 7 2HB PHE 7 0.023 2.510 -4.143 71 2HB PHE 7 1HB PHE 7 1.580 2.264 -3.353 72 HD1 PHE 7 1HD PHE 7 2.720 -0.046 -4.690 73 HD2 PHE 7 2HD PHE 7 0.421 3.181 -6.348 74 HE1 PHE 7 1HE PHE 7 3.773 -0.433 -6.901 75 HE2 PHE 7 2HE PHE 7 1.475 2.796 -8.559 76 HZ PHE 7 HZ PHE 7 3.151 0.989 -8.836 77 H GLN 8 H GLN 8 0.166 1.818 -1.268 78 HA GLN 8 HA GLN 8 2.347 1.115 0.291 79 1HB GLN 8 2HB GLN 8 -0.579 1.471 1.022 80 2HB GLN 8 1HB GLN 8 0.730 1.487 2.191 81 1HG GLN 8 2HG GLN 8 1.804 3.320 0.775 82 2HG GLN 8 1HG GLN 8 0.249 3.461 -0.049 83 1HE2 GLN 8 1HE2 GLN 8 1.399 5.567 1.606 84 2HE2 GLN 8 2HE2 GLN 8 0.367 5.788 2.936 85 H ASN 9 H ASN 9 -0.542 -0.758 -0.421 86 HA ASN 9 HA ASN 9 -0.232 -2.910 1.427 87 1HB ASN 9 2HB ASN 9 -2.219 -2.397 -0.003 88 2HB ASN 9 1HB ASN 9 -1.289 -2.889 -1.422 89 1HD2 ASN 9 1HD2 ASN 9 -1.725 -4.322 1.872 90 2HD2 ASN 9 2HD2 ASN 9 -2.136 -5.867 1.301 91 H ARG 10 H ARG 10 1.737 -1.870 -1.121 92 HA ARG 10 HA ARG 10 3.133 -4.510 -1.270 93 1HB ARG 10 2HB ARG 10 2.792 -2.476 -3.477 94 2HB ARG 10 1HB ARG 10 3.437 -4.111 -3.626 95 1HG ARG 10 2HG ARG 10 0.627 -3.509 -2.678 96 2HG ARG 10 1HG ARG 10 1.042 -3.859 -4.344 97 1HD ARG 10 2HD ARG 10 1.568 -5.709 -1.998 98 2HD ARG 10 1HD ARG 10 0.311 -5.932 -3.216 99 HE ARG 10 HE ARG 10 2.824 -6.889 -3.621 100 1HH1 ARG 10 1HH1 ARG 10 0.431 -6.019 -5.595 101 2HH1 ARG 10 2HH1 ARG 10 1.400 -5.437 -6.907 102 1HH2 ARG 10 1HH2 ARG 10 4.344 -5.421 -5.074 103 2HH2 ARG 10 2HH2 ARG 10 3.615 -5.099 -6.612 104 H ARG 11 H ARG 11 3.358 -1.351 -0.250 105 HA ARG 11 HA ARG 11 6.263 -1.093 -0.916 106 1HB ARG 11 2HB ARG 11 4.557 1.119 0.179 107 2HB ARG 11 1HB ARG 11 5.877 1.211 -0.984 108 1HG ARG 11 2HG ARG 11 3.898 -0.349 -2.193 109 2HG ARG 11 1HG ARG 11 3.054 0.985 -1.444 110 1HD ARG 11 2HD ARG 11 5.426 1.249 -3.314 111 2HD ARG 11 1HD ARG 11 3.743 1.624 -3.712 112 HE ARG 11 HE ARG 11 5.097 2.980 -1.440 113 1HH1 ARG 11 1HH2 ARG 11 5.397 4.032 -4.335 114 2HH1 ARG 11 2HH2 ARG 11 4.188 5.272 -4.341 115 1HH2 ARG 11 1HH1 ARG 11 2.635 4.141 -1.453 116 2HH2 ARG 11 2HH1 ARG 11 2.624 5.333 -2.710 117 H MET 12 H MET 12 3.840 -0.398 1.553 118 HA MET 12 HA MET 12 5.917 -0.342 3.654 119 1HB MET 12 2HB MET 12 3.833 -0.019 5.112 120 2HB MET 12 1HB MET 12 4.208 1.255 3.961 121 1HG MET 12 2HG MET 12 2.518 0.604 2.513 122 2HG MET 12 1HG MET 12 2.412 -1.008 3.210 123 1HE MET 12 1HE MET 12 0.758 -0.904 6.346 124 2HE MET 12 2HE MET 12 2.092 0.173 6.749 125 3HE MET 12 3HE MET 12 2.367 -1.190 5.668 126 H LYS 13 H LYS 13 3.328 -2.453 2.541 127 HA LYS 13 HA LYS 13 3.627 -4.411 4.665 128 1HB LYS 13 2HB LYS 13 2.629 -4.862 1.860 129 2HB LYS 13 1HB LYS 13 2.113 -5.679 3.329 130 1HG LYS 13 2HG LYS 13 1.418 -2.930 2.342 131 2HG LYS 13 1HG LYS 13 0.362 -4.207 2.905 132 1HD LYS 13 2HD LYS 13 2.284 -2.976 4.845 133 2HD LYS 13 1HD LYS 13 0.808 -2.109 4.417 134 1HE LYS 13 2HE LYS 13 -0.033 -3.374 6.163 135 2HE LYS 13 1HE LYS 13 -0.235 -4.572 4.869 136 1HZ LYS 13 1HZ LYS 13 1.018 -5.469 6.767 137 2HZ LYS 13 2HZ LYS 13 2.201 -4.269 6.547 138 3HZ LYS 13 3HZ LYS 13 1.946 -5.446 5.348 139 H PHE 14 H PHE 14 5.368 -3.449 1.936 140 HA PHE 14 HA PHE 14 6.652 -5.945 1.203 141 1HB PHE 14 2HB PHE 14 6.250 -3.358 0.223 142 2HB PHE 14 1HB PHE 14 7.980 -3.421 0.546 143 HD1 PHE 14 1HD PHE 14 9.344 -4.195 -1.174 144 HD2 PHE 14 2HD PHE 14 5.310 -5.644 -0.889 145 HE1 PHE 14 1HE PHE 14 9.681 -5.537 -3.232 146 HE2 PHE 14 2HE PHE 14 5.647 -6.986 -2.948 147 HZ PHE 14 HZ PHE 14 7.833 -6.933 -4.119 148 H LYS 15 H LYS 15 7.003 -3.591 3.684 149 HA LYS 15 HA LYS 15 9.565 -4.863 4.524 150 1HB LYS 15 2HB LYS 15 10.300 -2.486 5.137 151 2HB LYS 15 1HB LYS 15 10.259 -2.857 3.416 152 1HG LYS 15 2HG LYS 15 7.670 -1.954 4.010 153 2HG LYS 15 1HG LYS 15 8.736 -0.886 4.917 154 1HD LYS 15 2HD LYS 15 8.998 -1.526 1.967 155 2HD LYS 15 1HD LYS 15 8.331 -0.032 2.631 156 1HE LYS 15 2HE LYS 15 11.012 -0.765 3.673 157 2HE LYS 15 1HE LYS 15 10.958 -0.304 1.960 158 1HZ LYS 15 1HZ LYS 15 11.166 1.631 3.453 159 2HZ LYS 15 2HZ LYS 15 9.676 1.226 4.162 160 3HZ LYS 15 3HZ LYS 15 9.747 1.676 2.525 161 H LYS 16 H LYS 16 6.476 -4.324 5.251 162 HA LYS 16 HA LYS 16 6.278 -3.115 7.728 163 1HB LYS 16 2HB LYS 16 4.235 -4.516 7.901 164 2HB LYS 16 1HB LYS 16 4.443 -3.805 6.297 165 1HG LYS 16 2HG LYS 16 3.832 -6.118 5.988 166 2HG LYS 16 1HG LYS 16 5.538 -5.957 5.571 167 1HD LYS 16 2HD LYS 16 6.202 -7.265 7.282 168 2HD LYS 16 1HD LYS 16 5.074 -6.513 8.411 169 1HE LYS 16 2HE LYS 16 3.258 -7.910 7.661 170 2HE LYS 16 1HE LYS 16 4.208 -8.505 6.285 171 1HZ LYS 16 1HZ LYS 16 5.871 -9.298 7.944 172 2HZ LYS 16 2HZ LYS 16 4.385 -10.118 8.007 173 3HZ LYS 16 3HZ LYS 16 4.756 -8.938 9.171 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -4.387 8.969 -0.292 2 2H ARG 1 2HT ARG 1 -5.533 10.173 -0.637 3 3H ARG 1 3HT ARG 1 -5.614 8.670 -1.420 4 HA ARG 1 HA ARG 1 -5.873 8.938 1.521 5 1HB ARG 1 2HB ARG 1 -8.289 9.016 1.145 6 2HB ARG 1 1HB ARG 1 -7.519 10.347 0.280 7 1HG ARG 1 2HG ARG 1 -7.491 8.831 -1.771 8 2HG ARG 1 1HG ARG 1 -8.540 7.739 -0.869 9 1HD ARG 1 2HD ARG 1 -9.159 10.663 -1.432 10 2HD ARG 1 1HD ARG 1 -9.875 9.282 -2.286 11 HE ARG 1 HE ARG 1 -10.130 9.573 0.683 12 1HH1 ARG 1 1HH2 ARG 1 -12.173 10.822 -1.272 13 2HH1 ARG 1 2HH2 ARG 1 -13.410 9.610 -1.245 14 1HH2 ARG 1 1HH1 ARG 1 -11.388 7.200 0.214 15 2HH2 ARG 1 2HH1 ARG 1 -12.966 7.561 -0.405 16 H GLN 2 H GLN 2 -6.490 7.091 -1.463 17 HA GLN 2 HA GLN 2 -6.300 4.599 0.144 18 1HB GLN 2 2HB GLN 2 -8.340 5.473 -1.888 19 2HB GLN 2 1HB GLN 2 -8.084 3.790 -1.455 20 1HG GLN 2 2HG GLN 2 -8.335 4.583 0.988 21 2HG GLN 2 1HG GLN 2 -9.059 6.029 0.290 22 1HE2 GLN 2 1HE2 GLN 2 -9.369 2.438 0.162 23 2HE2 GLN 2 2HE2 GLN 2 -11.047 2.446 -0.096 24 H ILE 3 H ILE 3 -6.138 6.047 -3.118 25 HA ILE 3 HA ILE 3 -5.243 4.036 -4.689 26 HB ILE 3 HB ILE 3 -3.508 5.848 -5.486 27 1HG1 ILE 3 2HG1 ILE 3 -5.355 7.762 -4.249 28 2HG1 ILE 3 1HG1 ILE 3 -4.275 6.981 -3.106 29 1HG2 ILE 3 1HG2 ILE 3 -6.426 6.575 -5.612 30 2HG2 ILE 3 2HG2 ILE 3 -5.814 5.135 -6.426 31 3HG2 ILE 3 3HG2 ILE 3 -5.199 6.728 -6.869 32 1HD1 ILE 3 1HD1 ILE 3 -3.583 8.719 -5.449 33 2HD1 ILE 3 2HD1 ILE 3 -2.426 7.522 -4.866 34 3HD1 ILE 3 3HD1 ILE 3 -2.992 8.798 -3.790 35 H LYS 4 H LYS 4 -3.334 5.683 -2.225 36 HA LYS 4 HA LYS 4 -0.891 4.241 -2.650 37 1HB LYS 4 2HB LYS 4 -2.156 5.935 -0.520 38 2HB LYS 4 1HB LYS 4 -0.696 5.042 -0.113 39 1HG LYS 4 2HG LYS 4 -0.084 7.251 -0.911 40 2HG LYS 4 1HG LYS 4 0.418 6.046 -2.099 41 1HD LYS 4 2HD LYS 4 -1.356 6.551 -3.540 42 2HD LYS 4 1HD LYS 4 -2.260 7.372 -2.272 43 1HE LYS 4 2HE LYS 4 0.435 8.471 -2.997 44 2HE LYS 4 1HE LYS 4 -0.928 8.795 -4.087 45 1HZ LYS 4 1HZ LYS 4 -2.221 9.428 -2.065 46 2HZ LYS 4 2HZ LYS 4 -0.942 10.485 -2.432 47 3HZ LYS 4 3HZ LYS 4 -0.779 9.353 -1.175 48 H ILE 5 H ILE 5 -3.760 3.695 -0.684 49 HA ILE 5 HA ILE 5 -2.924 1.626 1.004 50 HB ILE 5 HB ILE 5 -5.452 2.259 -0.515 51 1HG1 ILE 5 2HG1 ILE 5 -6.105 3.329 1.426 52 2HG1 ILE 5 1HG1 ILE 5 -5.185 2.252 2.436 53 1HG2 ILE 5 1HG2 ILE 5 -4.987 0.044 1.501 54 2HG2 ILE 5 2HG2 ILE 5 -5.555 -0.133 -0.158 55 3HG2 ILE 5 3HG2 ILE 5 -6.587 0.636 1.049 56 1HD1 ILE 5 1HD1 ILE 5 -3.081 3.356 1.640 57 2HD1 ILE 5 2HD1 ILE 5 -4.146 4.432 2.532 58 3HD1 ILE 5 3HD1 ILE 5 -4.084 4.518 0.775 59 H PHE 6 H PHE 6 -3.633 1.740 -2.405 60 HA PHE 6 HA PHE 6 -3.548 -1.163 -2.859 61 1HB PHE 6 2HB PHE 6 -4.247 1.213 -4.249 62 2HB PHE 6 1HB PHE 6 -2.932 0.483 -5.171 63 HD1 PHE 6 1HD PHE 6 -3.656 -0.893 -6.895 64 HD2 PHE 6 2HD PHE 6 -5.888 -0.792 -3.227 65 HE1 PHE 6 1HE PHE 6 -5.228 -2.581 -7.805 66 HE2 PHE 6 2HE PHE 6 -7.460 -2.480 -4.136 67 HZ PHE 6 HZ PHE 6 -7.130 -3.375 -6.425 68 H PHE 7 H PHE 7 -1.309 1.556 -3.010 69 HA PHE 7 HA PHE 7 0.949 -0.113 -3.956 70 1HB PHE 7 2HB PHE 7 0.164 2.552 -4.152 71 2HB PHE 7 1HB PHE 7 1.426 2.607 -2.921 72 HD1 PHE 7 1HD PHE 7 0.822 0.805 -6.168 73 HD2 PHE 7 2HD PHE 7 3.577 3.000 -3.708 74 HE1 PHE 7 1HE PHE 7 2.558 0.600 -7.928 75 HE2 PHE 7 2HE PHE 7 5.312 2.796 -5.469 76 HZ PHE 7 HZ PHE 7 4.802 1.596 -7.578 77 H GLN 8 H GLN 8 -0.078 1.674 -1.056 78 HA GLN 8 HA GLN 8 2.119 1.174 0.646 79 1HB GLN 8 2HB GLN 8 -0.866 1.346 1.126 80 2HB GLN 8 1HB GLN 8 0.325 1.372 2.416 81 1HG GLN 8 2HG GLN 8 1.448 3.271 1.071 82 2HG GLN 8 1HG GLN 8 -0.111 3.427 0.259 83 1HE2 GLN 8 1HE2 GLN 8 -1.630 2.621 2.735 84 2HE2 GLN 8 2HE2 GLN 8 -1.546 3.961 3.773 85 H ASN 9 H ASN 9 -0.674 -0.811 -0.183 86 HA ASN 9 HA ASN 9 -0.221 -2.993 1.591 87 1HB ASN 9 2HB ASN 9 -2.248 -2.499 0.176 88 2HB ASN 9 1HB ASN 9 -1.311 -3.000 -1.235 89 1HD2 ASN 9 1HD2 ASN 9 -3.216 -4.679 -1.267 90 2HD2 ASN 9 2HD2 ASN 9 -2.965 -6.116 -0.400 91 H ARG 10 H ARG 10 1.609 -1.817 -1.012 92 HA ARG 10 HA ARG 10 3.133 -4.370 -1.194 93 1HB ARG 10 2HB ARG 10 3.276 -2.850 -3.633 94 2HB ARG 10 1HB ARG 10 2.622 -4.472 -3.395 95 1HG ARG 10 2HG ARG 10 0.482 -3.426 -2.630 96 2HG ARG 10 1HG ARG 10 1.165 -1.858 -3.012 97 1HD ARG 10 2HD ARG 10 0.678 -2.118 -5.213 98 2HD ARG 10 1HD ARG 10 1.452 -3.702 -5.242 99 HE ARG 10 HE ARG 10 -1.058 -3.702 -3.873 100 1HH1 ARG 10 1HH2 ARG 10 -0.519 -2.875 -7.006 101 2HH1 ARG 10 2HH2 ARG 10 -1.304 -4.245 -7.718 102 1HH2 ARG 10 1HH1 ARG 10 -1.639 -5.948 -4.716 103 2HH2 ARG 10 2HH1 ARG 10 -1.937 -5.985 -6.422 104 H ARG 11 H ARG 11 3.336 -1.299 -0.072 105 HA ARG 11 HA ARG 11 6.162 -0.992 -0.988 106 1HB ARG 11 2HB ARG 11 5.715 1.257 -1.313 107 2HB ARG 11 1HB ARG 11 4.098 0.626 -1.575 108 1HG ARG 11 2HG ARG 11 3.476 2.119 -0.046 109 2HG ARG 11 1HG ARG 11 4.136 1.003 1.132 110 1HD ARG 11 2HD ARG 11 5.536 3.372 -0.148 111 2HD ARG 11 1HD ARG 11 5.115 3.170 1.553 112 HE ARG 11 HE ARG 11 6.978 1.277 0.220 113 1HH1 ARG 11 1HH1 ARG 11 5.797 2.313 3.167 114 2HH1 ARG 11 2HH1 ARG 11 7.341 2.491 3.930 115 1HH2 ARG 11 1HH2 ARG 11 9.141 2.006 1.009 116 2HH2 ARG 11 2HH2 ARG 11 9.232 2.317 2.710 117 H MET 12 H MET 12 3.851 -0.694 1.635 118 HA MET 12 HA MET 12 6.097 -0.416 3.585 119 1HB MET 12 2HB MET 12 3.962 -0.140 5.131 120 2HB MET 12 1HB MET 12 4.522 1.200 4.137 121 1HG MET 12 2HG MET 12 2.805 0.972 2.635 122 2HG MET 12 1HG MET 12 2.620 -0.740 2.962 123 1HE MET 12 1HE MET 12 2.211 2.785 4.012 124 2HE MET 12 2HE MET 12 2.759 2.313 5.618 125 3HE MET 12 3HE MET 12 1.088 2.815 5.379 126 H LYS 13 H LYS 13 3.412 -2.461 2.592 127 HA LYS 13 HA LYS 13 3.744 -4.436 4.697 128 1HB LYS 13 2HB LYS 13 2.632 -4.848 1.930 129 2HB LYS 13 1HB LYS 13 2.147 -5.655 3.416 130 1HG LYS 13 2HG LYS 13 1.477 -2.896 2.449 131 2HG LYS 13 1HG LYS 13 0.421 -4.144 3.064 132 1HD LYS 13 2HD LYS 13 2.447 -2.933 4.913 133 2HD LYS 13 1HD LYS 13 0.968 -2.042 4.540 134 1HE LYS 13 2HE LYS 13 -0.298 -3.430 5.824 135 2HE LYS 13 1HE LYS 13 0.486 -4.881 5.168 136 1HZ LYS 13 1HZ LYS 13 1.788 -3.021 7.082 137 2HZ LYS 13 2HZ LYS 13 2.373 -4.527 6.554 138 3HZ LYS 13 3HZ LYS 13 1.001 -4.448 7.553 139 H PHE 14 H PHE 14 5.376 -3.469 1.903 140 HA PHE 14 HA PHE 14 6.590 -5.954 1.059 141 1HB PHE 14 2HB PHE 14 6.235 -3.307 0.190 142 2HB PHE 14 1HB PHE 14 7.972 -3.450 0.448 143 HD1 PHE 14 1HD PHE 14 9.145 -3.995 -1.487 144 HD2 PHE 14 2HD PHE 14 5.271 -5.729 -0.832 145 HE1 PHE 14 1HE PHE 14 9.358 -5.270 -3.604 146 HE2 PHE 14 2HE PHE 14 5.484 -7.004 -2.949 147 HZ PHE 14 HZ PHE 14 7.528 -6.774 -4.334 148 H LYS 15 H LYS 15 7.071 -3.689 3.603 149 HA LYS 15 HA LYS 15 9.616 -5.051 4.339 150 1HB LYS 15 2HB LYS 15 10.447 -2.725 4.975 151 2HB LYS 15 1HB LYS 15 10.299 -3.019 3.245 152 1HG LYS 15 2HG LYS 15 7.774 -2.083 4.014 153 2HG LYS 15 1HG LYS 15 8.908 -1.087 4.922 154 1HD LYS 15 2HD LYS 15 8.938 -1.554 1.928 155 2HD LYS 15 1HD LYS 15 8.465 -0.063 2.748 156 1HE LYS 15 2HE LYS 15 10.626 0.612 2.778 157 2HE LYS 15 1HE LYS 15 11.070 -0.838 3.701 158 1HZ LYS 15 1HZ LYS 15 10.689 -0.718 0.755 159 2HZ LYS 15 2HZ LYS 15 11.105 -2.103 1.646 160 3HZ LYS 15 3HZ LYS 15 12.187 -0.797 1.546 161 H LYS 16 H LYS 16 6.563 -4.481 5.176 162 HA LYS 16 HA LYS 16 6.526 -3.327 7.707 163 1HB LYS 16 2HB LYS 16 4.386 -4.556 7.887 164 2HB LYS 16 1HB LYS 16 4.604 -3.824 6.294 165 1HG LYS 16 2HG LYS 16 3.811 -6.064 5.930 166 2HG LYS 16 1HG LYS 16 5.521 -6.044 5.502 167 1HD LYS 16 2HD LYS 16 6.075 -7.452 7.166 168 2HD LYS 16 1HD LYS 16 5.048 -6.617 8.332 169 1HE LYS 16 2HE LYS 16 3.663 -8.425 8.196 170 2HE LYS 16 1HE LYS 16 3.237 -7.849 6.572 171 1HZ LYS 16 1HZ LYS 16 4.097 -10.063 6.381 172 2HZ LYS 16 2HZ LYS 16 5.477 -9.666 7.287 173 3HZ LYS 16 3HZ LYS 16 5.250 -8.995 5.743 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -5.403 9.010 0.808 2 2H ARG 1 2HT ARG 1 -5.077 7.580 -0.047 3 3H ARG 1 3HT ARG 1 -4.652 7.707 1.591 4 HA ARG 1 HA ARG 1 -6.782 7.410 2.335 5 1HB ARG 1 2HB ARG 1 -8.697 7.914 0.676 6 2HB ARG 1 1HB ARG 1 -7.789 9.280 1.321 7 1HG ARG 1 2HG ARG 1 -6.964 9.834 -0.713 8 2HG ARG 1 1HG ARG 1 -6.602 8.161 -1.121 9 1HD ARG 1 2HD ARG 1 -8.338 8.348 -2.593 10 2HD ARG 1 1HD ARG 1 -9.378 8.210 -1.161 11 HE ARG 1 HE ARG 1 -9.431 10.670 -1.042 12 1HH1 ARG 1 1HH1 ARG 1 -6.833 10.969 -2.674 13 2HH1 ARG 1 2HH1 ARG 1 -7.458 11.641 -4.143 14 1HH2 ARG 1 1HH2 ARG 1 -10.748 10.803 -3.440 15 2HH2 ARG 1 2HH2 ARG 1 -9.674 11.547 -4.576 16 H GLN 2 H GLN 2 -6.140 6.493 -1.055 17 HA GLN 2 HA GLN 2 -6.727 3.687 -0.356 18 1HB GLN 2 2HB GLN 2 -8.146 5.462 -2.293 19 2HB GLN 2 1HB GLN 2 -8.059 3.722 -2.523 20 1HG GLN 2 2HG GLN 2 -8.873 3.534 -0.092 21 2HG GLN 2 1HG GLN 2 -9.326 5.229 -0.253 22 1HE2 GLN 2 1HE2 GLN 2 -10.609 2.174 -0.539 23 2HE2 GLN 2 2HE2 GLN 2 -11.829 2.487 -1.677 24 H ILE 3 H ILE 3 -6.170 5.688 -3.274 25 HA ILE 3 HA ILE 3 -4.877 3.985 -4.911 26 HB ILE 3 HB ILE 3 -3.325 6.050 -5.374 27 1HG1 ILE 3 2HG1 ILE 3 -5.492 7.611 -4.164 28 2HG1 ILE 3 1HG1 ILE 3 -4.413 6.870 -2.996 29 1HG2 ILE 3 1HG2 ILE 3 -4.976 6.836 -6.845 30 2HG2 ILE 3 2HG2 ILE 3 -6.282 6.467 -5.718 31 3HG2 ILE 3 3HG2 ILE 3 -5.456 5.161 -6.568 32 1HD1 ILE 3 1HD1 ILE 3 -3.832 8.968 -5.024 33 2HD1 ILE 3 2HD1 ILE 3 -2.565 7.786 -4.697 34 3HD1 ILE 3 3HD1 ILE 3 -3.202 8.781 -3.388 35 H LYS 4 H LYS 4 -3.290 5.703 -2.240 36 HA LYS 4 HA LYS 4 -0.761 4.364 -2.569 37 1HB LYS 4 2HB LYS 4 -2.145 6.062 -0.516 38 2HB LYS 4 1HB LYS 4 -0.668 5.220 -0.049 39 1HG LYS 4 2HG LYS 4 -0.052 7.400 -0.864 40 2HG LYS 4 1HG LYS 4 0.437 6.210 -2.073 41 1HD LYS 4 2HD LYS 4 -1.341 6.737 -3.493 42 2HD LYS 4 1HD LYS 4 -2.251 7.512 -2.202 43 1HE LYS 4 2HE LYS 4 -1.280 9.226 -3.709 44 2HE LYS 4 1HE LYS 4 -0.519 9.323 -2.110 45 1HZ LYS 4 1HZ LYS 4 1.075 9.238 -4.023 46 2HZ LYS 4 2HZ LYS 4 0.542 7.652 -4.320 47 3HZ LYS 4 3HZ LYS 4 1.306 8.034 -2.851 48 H ILE 5 H ILE 5 -3.632 3.894 -0.593 49 HA ILE 5 HA ILE 5 -2.806 1.765 1.074 50 HB ILE 5 HB ILE 5 -5.445 2.180 -0.397 51 1HG1 ILE 5 2HG1 ILE 5 -5.202 4.234 0.645 52 2HG1 ILE 5 1HG1 ILE 5 -5.870 3.325 1.991 53 1HG2 ILE 5 1HG2 ILE 5 -5.065 0.009 0.901 54 2HG2 ILE 5 2HG2 ILE 5 -6.453 0.968 1.414 55 3HG2 ILE 5 3HG2 ILE 5 -4.964 0.997 2.358 56 1HD1 ILE 5 1HD1 ILE 5 -3.395 2.791 2.574 57 2HD1 ILE 5 2HD1 ILE 5 -3.987 4.416 2.918 58 3HD1 ILE 5 3HD1 ILE 5 -3.006 4.122 1.485 59 H PHE 6 H PHE 6 -3.566 1.936 -2.312 60 HA PHE 6 HA PHE 6 -3.631 -0.978 -2.738 61 1HB PHE 6 2HB PHE 6 -4.139 1.476 -4.177 62 2HB PHE 6 1HB PHE 6 -3.039 0.477 -5.126 63 HD1 PHE 6 1HD PHE 6 -3.701 -1.763 -5.891 64 HD2 PHE 6 2HD PHE 6 -6.406 0.742 -3.686 65 HE1 PHE 6 1HE PHE 6 -5.594 -3.221 -6.557 66 HE2 PHE 6 2HE PHE 6 -8.299 -0.716 -4.353 67 HZ PHE 6 HZ PHE 6 -7.893 -2.697 -5.788 68 H PHE 7 H PHE 7 -1.305 1.662 -2.945 69 HA PHE 7 HA PHE 7 0.884 -0.094 -3.908 70 1HB PHE 7 2HB PHE 7 0.175 2.596 -4.137 71 2HB PHE 7 1HB PHE 7 1.479 2.626 -2.951 72 HD1 PHE 7 1HD PHE 7 0.631 1.016 -6.237 73 HD2 PHE 7 2HD PHE 7 3.680 2.699 -3.721 74 HE1 PHE 7 1HE PHE 7 2.294 0.714 -8.051 75 HE2 PHE 7 2HE PHE 7 5.343 2.397 -5.535 76 HZ PHE 7 HZ PHE 7 4.651 1.404 -7.700 77 H GLN 8 H GLN 8 -0.031 1.792 -1.029 78 HA GLN 8 HA GLN 8 2.190 1.265 0.631 79 1HB GLN 8 2HB GLN 8 -0.774 1.549 1.185 80 2HB GLN 8 1HB GLN 8 0.454 1.572 2.440 81 1HG GLN 8 2HG GLN 8 1.594 3.410 1.040 82 2HG GLN 8 1HG GLN 8 0.036 3.582 0.226 83 1HE2 GLN 8 1HE2 GLN 8 0.486 5.839 1.462 84 2HE2 GLN 8 2HE2 GLN 8 -0.235 5.956 2.994 85 H ASN 9 H ASN 9 -0.673 -0.649 -0.110 86 HA ASN 9 HA ASN 9 -0.264 -2.801 1.713 87 1HB ASN 9 2HB ASN 9 -2.294 -2.278 0.310 88 2HB ASN 9 1HB ASN 9 -1.392 -2.843 -1.098 89 1HD2 ASN 9 1HD2 ASN 9 -3.022 -4.611 -1.328 90 2HD2 ASN 9 2HD2 ASN 9 -2.937 -5.971 -0.316 91 H ARG 10 H ARG 10 1.556 -1.744 -0.952 92 HA ARG 10 HA ARG 10 3.005 -4.343 -1.093 93 1HB ARG 10 2HB ARG 10 3.153 -2.891 -3.569 94 2HB ARG 10 1HB ARG 10 2.449 -4.483 -3.280 95 1HG ARG 10 2HG ARG 10 0.354 -3.355 -2.525 96 2HG ARG 10 1HG ARG 10 1.084 -1.814 -2.927 97 1HD ARG 10 2HD ARG 10 0.155 -2.132 -4.994 98 2HD ARG 10 1HD ARG 10 1.477 -3.271 -5.249 99 HE ARG 10 HE ARG 10 -1.137 -4.092 -5.191 100 1HH1 ARG 10 1HH1 ARG 10 1.282 -5.931 -5.292 101 2HH1 ARG 10 2HH1 ARG 10 0.981 -6.958 -3.930 102 1HH2 ARG 10 1HH2 ARG 10 -1.395 -4.855 -2.532 103 2HH2 ARG 10 2HH2 ARG 10 -0.535 -6.349 -2.367 104 H ARG 11 H ARG 11 3.315 -1.237 -0.065 105 HA ARG 11 HA ARG 11 6.131 -1.042 -1.045 106 1HB ARG 11 2HB ARG 11 5.738 1.214 -1.394 107 2HB ARG 11 1HB ARG 11 4.095 0.629 -1.595 108 1HG ARG 11 2HG ARG 11 3.560 2.150 -0.062 109 2HG ARG 11 1HG ARG 11 4.244 1.038 1.107 110 1HD ARG 11 2HD ARG 11 5.632 3.363 -0.261 111 2HD ARG 11 1HD ARG 11 5.285 3.185 1.458 112 HE ARG 11 HE ARG 11 7.031 1.211 0.095 113 1HH1 ARG 11 1HH1 ARG 11 6.342 1.499 3.128 114 2HH1 ARG 11 2HH1 ARG 11 7.846 2.127 3.713 115 1HH2 ARG 11 1HH2 ARG 11 9.036 2.936 0.559 116 2HH2 ARG 11 2HH2 ARG 11 9.370 2.942 2.259 117 H MET 12 H MET 12 3.897 -0.664 1.627 118 HA MET 12 HA MET 12 6.197 -0.431 3.522 119 1HB MET 12 2HB MET 12 4.104 -0.061 5.111 120 2HB MET 12 1HB MET 12 4.695 1.248 4.095 121 1HG MET 12 2HG MET 12 2.948 1.061 2.616 122 2HG MET 12 1HG MET 12 2.691 -0.633 2.989 123 1HE MET 12 1HE MET 12 2.737 2.680 5.556 124 2HE MET 12 2HE MET 12 1.153 3.112 4.917 125 3HE MET 12 3HE MET 12 2.504 2.867 3.813 126 H LYS 13 H LYS 13 3.415 -2.385 2.617 127 HA LYS 13 HA LYS 13 3.736 -4.351 4.735 128 1HB LYS 13 2HB LYS 13 2.518 -4.755 2.013 129 2HB LYS 13 1HB LYS 13 2.047 -5.514 3.528 130 1HG LYS 13 2HG LYS 13 1.458 -2.750 2.525 131 2HG LYS 13 1HG LYS 13 0.374 -3.942 3.202 132 1HD LYS 13 2HD LYS 13 2.500 -2.806 4.975 133 2HD LYS 13 1HD LYS 13 1.082 -1.822 4.602 134 1HE LYS 13 2HE LYS 13 0.203 -2.949 6.411 135 2HE LYS 13 1HE LYS 13 -0.115 -4.203 5.196 136 1HZ LYS 13 1HZ LYS 13 2.469 -3.981 6.634 137 2HZ LYS 13 2HZ LYS 13 1.906 -5.279 5.695 138 3HZ LYS 13 3HZ LYS 13 1.194 -4.945 7.200 139 H PHE 14 H PHE 14 5.310 -3.475 1.876 140 HA PHE 14 HA PHE 14 6.391 -6.019 1.021 141 1HB PHE 14 2HB PHE 14 6.130 -3.357 0.140 142 2HB PHE 14 1HB PHE 14 7.865 -3.595 0.325 143 HD1 PHE 14 1HD PHE 14 5.008 -5.767 -0.790 144 HD2 PHE 14 2HD PHE 14 8.900 -4.179 -1.677 145 HE1 PHE 14 1HE PHE 14 5.057 -7.067 -2.902 146 HE2 PHE 14 2HE PHE 14 8.949 -5.479 -3.789 147 HZ PHE 14 HZ PHE 14 7.027 -6.922 -4.402 148 H LYS 15 H LYS 15 7.056 -3.741 3.521 149 HA LYS 15 HA LYS 15 9.558 -5.214 4.190 150 1HB LYS 15 2HB LYS 15 10.508 -2.914 4.778 151 2HB LYS 15 1HB LYS 15 10.321 -3.242 3.058 152 1HG LYS 15 2HG LYS 15 7.856 -2.167 3.847 153 2HG LYS 15 1HG LYS 15 9.055 -1.202 4.701 154 1HD LYS 15 2HD LYS 15 8.963 -1.738 1.722 155 2HD LYS 15 1HD LYS 15 8.642 -0.200 2.525 156 1HE LYS 15 2HE LYS 15 11.114 -0.724 3.525 157 2HE LYS 15 1HE LYS 15 11.246 -1.501 1.934 158 1HZ LYS 15 1HZ LYS 15 10.180 0.570 1.020 159 2HZ LYS 15 2HZ LYS 15 11.767 0.763 1.593 160 3HZ LYS 15 3HZ LYS 15 10.452 1.294 2.529 161 H LYS 16 H LYS 16 6.568 -4.486 5.120 162 HA LYS 16 HA LYS 16 6.652 -3.295 7.627 163 1HB LYS 16 2HB LYS 16 4.487 -4.467 7.906 164 2HB LYS 16 1HB LYS 16 4.668 -3.759 6.298 165 1HG LYS 16 2HG LYS 16 3.799 -5.980 5.992 166 2HG LYS 16 1HG LYS 16 5.492 -6.011 5.499 167 1HD LYS 16 2HD LYS 16 6.070 -7.421 7.151 168 2HD LYS 16 1HD LYS 16 5.119 -6.541 8.350 169 1HE LYS 16 2HE LYS 16 3.137 -7.735 7.830 170 2HE LYS 16 1HE LYS 16 3.780 -8.289 6.271 171 1HZ LYS 16 1HZ LYS 16 4.742 -9.061 8.973 172 2HZ LYS 16 2HZ LYS 16 5.548 -9.455 7.530 173 3HZ LYS 16 3HZ LYS 16 3.993 -10.070 7.834 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -6.066 8.398 -0.626 2 2H ARG 1 2HT ARG 1 -4.759 7.745 0.239 3 3H ARG 1 3HT ARG 1 -5.450 9.219 0.724 4 HA ARG 1 HA ARG 1 -6.215 7.509 2.210 5 1HB ARG 1 2HB ARG 1 -8.608 7.928 1.858 6 2HB ARG 1 1HB ARG 1 -7.683 9.380 1.469 7 1HG ARG 1 2HG ARG 1 -7.886 8.988 -0.885 8 2HG ARG 1 1HG ARG 1 -8.500 7.353 -0.628 9 1HD ARG 1 2HD ARG 1 -10.493 8.511 -1.019 10 2HD ARG 1 1HD ARG 1 -10.383 8.656 0.747 11 HE ARG 1 HE ARG 1 -9.806 10.942 0.485 12 1HH1 ARG 1 1HH2 ARG 1 -11.169 10.034 -2.319 13 2HH1 ARG 1 2HH2 ARG 1 -10.255 11.067 -3.367 14 1HH2 ARG 1 1HH1 ARG 1 -7.943 11.930 -0.931 15 2HH2 ARG 1 2HH1 ARG 1 -8.427 12.141 -2.580 16 H GLN 2 H GLN 2 -6.093 6.547 -1.112 17 HA GLN 2 HA GLN 2 -6.688 3.765 -0.336 18 1HB GLN 2 2HB GLN 2 -8.149 5.501 -2.281 19 2HB GLN 2 1HB GLN 2 -8.109 3.749 -2.431 20 1HG GLN 2 2HG GLN 2 -8.796 3.745 0.070 21 2HG GLN 2 1HG GLN 2 -9.299 5.405 -0.234 22 1HE2 GLN 2 1HE2 GLN 2 -11.593 4.905 -0.050 23 2HE2 GLN 2 2HE2 GLN 2 -12.402 3.987 -1.226 24 H ILE 3 H ILE 3 -6.071 5.802 -3.228 25 HA ILE 3 HA ILE 3 -4.897 3.959 -4.863 26 HB ILE 3 HB ILE 3 -3.824 5.831 -5.941 27 1HG1 ILE 3 2HG1 ILE 3 -2.769 6.726 -3.897 28 2HG1 ILE 3 1HG1 ILE 3 -3.530 7.965 -4.862 29 1HG2 ILE 3 1HG2 ILE 3 -5.827 6.620 -6.558 30 2HG2 ILE 3 2HG2 ILE 3 -5.999 7.481 -5.029 31 3HG2 ILE 3 3HG2 ILE 3 -6.543 5.809 -5.165 32 1HD1 ILE 3 1HD1 ILE 3 -5.565 7.702 -3.338 33 2HD1 ILE 3 2HD1 ILE 3 -4.146 8.470 -2.631 34 3HD1 ILE 3 3HD1 ILE 3 -4.507 6.788 -2.267 35 H LYS 4 H LYS 4 -3.330 5.679 -2.177 36 HA LYS 4 HA LYS 4 -0.770 4.401 -2.534 37 1HB LYS 4 2HB LYS 4 -2.192 6.065 -0.485 38 2HB LYS 4 1HB LYS 4 -0.749 5.190 0.027 39 1HG LYS 4 2HG LYS 4 -0.037 7.352 -0.704 40 2HG LYS 4 1HG LYS 4 0.433 6.203 -1.961 41 1HD LYS 4 2HD LYS 4 -1.306 6.840 -3.366 42 2HD LYS 4 1HD LYS 4 -2.212 7.586 -2.057 43 1HE LYS 4 2HE LYS 4 0.493 8.664 -2.874 44 2HE LYS 4 1HE LYS 4 -0.993 9.196 -3.686 45 1HZ LYS 4 1HZ LYS 4 -0.380 9.331 -0.784 46 2HZ LYS 4 2HZ LYS 4 -1.932 9.590 -1.424 47 3HZ LYS 4 3HZ LYS 4 -0.655 10.632 -1.836 48 H ILE 5 H ILE 5 -3.631 3.911 -0.559 49 HA ILE 5 HA ILE 5 -2.813 1.776 1.093 50 HB ILE 5 HB ILE 5 -5.456 2.209 -0.361 51 1HG1 ILE 5 2HG1 ILE 5 -5.214 4.264 0.671 52 2HG1 ILE 5 1HG1 ILE 5 -5.844 3.361 2.040 53 1HG2 ILE 5 1HG2 ILE 5 -4.653 0.729 2.158 54 2HG2 ILE 5 2HG2 ILE 5 -5.549 0.115 0.768 55 3HG2 ILE 5 3HG2 ILE 5 -6.315 1.251 1.878 56 1HD1 ILE 5 1HD1 ILE 5 -3.346 2.849 2.559 57 2HD1 ILE 5 2HD1 ILE 5 -3.950 4.466 2.916 58 3HD1 ILE 5 3HD1 ILE 5 -3.001 4.183 1.459 59 H PHE 6 H PHE 6 -3.579 1.941 -2.285 60 HA PHE 6 HA PHE 6 -3.669 -0.979 -2.690 61 1HB PHE 6 2HB PHE 6 -3.719 1.525 -4.353 62 2HB PHE 6 1HB PHE 6 -3.356 -0.003 -5.153 63 HD1 PHE 6 1HD PHE 6 -4.966 -2.021 -4.363 64 HD2 PHE 6 2HD PHE 6 -5.953 2.157 -4.243 65 HE1 PHE 6 1HE PHE 6 -7.380 -2.591 -4.368 66 HE2 PHE 6 2HE PHE 6 -8.367 1.587 -4.249 67 HZ PHE 6 HZ PHE 6 -9.080 -0.787 -4.310 68 H PHE 7 H PHE 7 -1.343 1.656 -2.953 69 HA PHE 7 HA PHE 7 0.830 -0.105 -3.931 70 1HB PHE 7 2HB PHE 7 0.131 2.604 -4.104 71 2HB PHE 7 1HB PHE 7 1.480 2.590 -2.968 72 HD1 PHE 7 1HD PHE 7 0.428 1.343 -6.332 73 HD2 PHE 7 2HD PHE 7 3.700 2.343 -3.735 74 HE1 PHE 7 1HE PHE 7 2.014 1.038 -8.213 75 HE2 PHE 7 2HE PHE 7 5.287 2.038 -5.617 76 HZ PHE 7 HZ PHE 7 4.443 1.385 -7.856 77 H GLN 8 H GLN 8 -0.038 1.773 -1.033 78 HA GLN 8 HA GLN 8 2.182 1.225 0.611 79 1HB GLN 8 2HB GLN 8 -0.778 1.493 1.182 80 2HB GLN 8 1HB GLN 8 0.453 1.500 2.433 81 1HG GLN 8 2HG GLN 8 1.585 3.356 1.036 82 2HG GLN 8 1HG GLN 8 0.007 3.551 0.267 83 1HE2 GLN 8 1HE2 GLN 8 1.339 5.498 2.073 84 2HE2 GLN 8 2HE2 GLN 8 0.306 5.694 3.406 85 H ASN 9 H ASN 9 -0.676 -0.696 -0.127 86 HA ASN 9 HA ASN 9 -0.244 -2.866 1.670 87 1HB ASN 9 2HB ASN 9 -2.284 -2.338 0.284 88 2HB ASN 9 1HB ASN 9 -1.387 -2.884 -1.137 89 1HD2 ASN 9 1HD2 ASN 9 -3.092 -3.956 1.743 90 2HD2 ASN 9 2HD2 ASN 9 -2.961 -5.620 1.433 91 H ARG 10 H ARG 10 1.554 -1.771 -0.995 92 HA ARG 10 HA ARG 10 3.021 -4.357 -1.170 93 1HB ARG 10 2HB ARG 10 3.155 -2.836 -3.617 94 2HB ARG 10 1HB ARG 10 2.510 -4.459 -3.370 95 1HG ARG 10 2HG ARG 10 0.374 -3.405 -2.573 96 2HG ARG 10 1HG ARG 10 1.050 -1.844 -2.996 97 1HD ARG 10 2HD ARG 10 -0.385 -2.754 -4.837 98 2HD ARG 10 1HD ARG 10 1.295 -2.569 -5.353 99 HE ARG 10 HE ARG 10 1.011 -4.869 -5.816 100 1HH1 ARG 10 1HH1 ARG 10 -1.438 -4.545 -3.705 101 2HH1 ARG 10 2HH1 ARG 10 -1.112 -5.960 -2.761 102 1HH2 ARG 10 1HH2 ARG 10 2.015 -6.498 -4.159 103 2HH2 ARG 10 2HH2 ARG 10 0.842 -7.065 -3.017 104 H ARG 11 H ARG 11 3.314 -1.283 -0.070 105 HA ARG 11 HA ARG 11 6.131 -1.056 -1.033 106 1HB ARG 11 2HB ARG 11 5.745 1.209 -1.359 107 2HB ARG 11 1HB ARG 11 4.118 0.608 -1.628 108 1HG ARG 11 2HG ARG 11 3.502 2.104 -0.105 109 2HG ARG 11 1HG ARG 11 4.170 1.006 1.086 110 1HD ARG 11 2HD ARG 11 5.594 3.326 -0.259 111 2HD ARG 11 1HD ARG 11 5.136 3.208 1.439 112 HE ARG 11 HE ARG 11 7.005 1.242 0.219 113 1HH1 ARG 11 1HH2 ARG 11 5.742 2.432 3.087 114 2HH1 ARG 11 2HH2 ARG 11 7.261 2.576 3.905 115 1HH2 ARG 11 1HH1 ARG 11 9.150 1.893 1.080 116 2HH2 ARG 11 2HH1 ARG 11 9.188 2.270 2.770 117 H MET 12 H MET 12 3.870 -0.682 1.619 118 HA MET 12 HA MET 12 6.156 -0.433 3.530 119 1HB MET 12 2HB MET 12 4.047 -0.108 5.110 120 2HB MET 12 1HB MET 12 4.628 1.215 4.108 121 1HG MET 12 2HG MET 12 2.886 1.032 2.631 122 2HG MET 12 1HG MET 12 2.663 -0.677 2.958 123 1HE MET 12 1HE MET 12 2.598 2.732 3.951 124 2HE MET 12 2HE MET 12 2.253 2.699 5.678 125 3HE MET 12 3HE MET 12 0.947 2.990 4.532 126 H LYS 13 H LYS 13 3.412 -2.429 2.600 127 HA LYS 13 HA LYS 13 3.740 -4.393 4.715 128 1HB LYS 13 2HB LYS 13 2.573 -4.809 1.972 129 2HB LYS 13 1HB LYS 13 2.095 -5.587 3.475 130 1HG LYS 13 2HG LYS 13 1.471 -2.822 2.488 131 2HG LYS 13 1HG LYS 13 0.396 -4.043 3.132 132 1HD LYS 13 2HD LYS 13 2.475 -2.870 4.944 133 2HD LYS 13 1HD LYS 13 1.023 -1.936 4.575 134 1HE LYS 13 2HE LYS 13 0.254 -3.133 6.416 135 2HE LYS 13 1HE LYS 13 -0.148 -4.297 5.138 136 1HZ LYS 13 1HZ LYS 13 2.510 -4.235 6.447 137 2HZ LYS 13 2HZ LYS 13 1.841 -5.468 5.489 138 3HZ LYS 13 3HZ LYS 13 1.236 -5.178 7.050 139 H PHE 14 H PHE 14 5.348 -3.485 1.888 140 HA PHE 14 HA PHE 14 6.497 -6.004 1.046 141 1HB PHE 14 2HB PHE 14 6.170 -3.379 0.141 142 2HB PHE 14 1HB PHE 14 7.904 -3.510 0.414 143 HD1 PHE 14 1HD PHE 14 5.095 -5.522 -1.059 144 HD2 PHE 14 2HD PHE 14 9.227 -4.374 -1.301 145 HE1 PHE 14 1HE PHE 14 5.335 -6.826 -3.154 146 HE2 PHE 14 2HE PHE 14 9.467 -5.678 -3.396 147 HZ PHE 14 HZ PHE 14 7.521 -6.905 -4.323 148 H LYS 15 H LYS 15 7.070 -3.719 3.556 149 HA LYS 15 HA LYS 15 9.599 -5.130 4.262 150 1HB LYS 15 2HB LYS 15 10.497 -2.819 4.847 151 2HB LYS 15 1HB LYS 15 10.295 -3.124 3.124 152 1HG LYS 15 2HG LYS 15 7.815 -2.124 3.953 153 2HG LYS 15 1HG LYS 15 8.995 -1.148 4.822 154 1HD LYS 15 2HD LYS 15 8.936 -1.636 1.833 155 2HD LYS 15 1HD LYS 15 8.512 -0.131 2.652 156 1HE LYS 15 2HE LYS 15 10.685 0.505 2.688 157 2HE LYS 15 1HE LYS 15 11.144 -1.000 3.507 158 1HZ LYS 15 1HZ LYS 15 12.055 -0.635 1.171 159 2HZ LYS 15 2HZ LYS 15 10.476 -0.943 0.624 160 3HZ LYS 15 3HZ LYS 15 11.326 -2.133 1.489 161 H LYS 16 H LYS 16 6.576 -4.483 5.147 162 HA LYS 16 HA LYS 16 6.607 -3.296 7.662 163 1HB LYS 16 2HB LYS 16 4.450 -4.487 7.901 164 2HB LYS 16 1HB LYS 16 4.649 -3.777 6.295 165 1HG LYS 16 2HG LYS 16 3.809 -6.006 5.975 166 2HG LYS 16 1HG LYS 16 5.511 -6.022 5.512 167 1HD LYS 16 2HD LYS 16 6.067 -7.431 7.172 168 2HD LYS 16 1HD LYS 16 5.098 -6.554 8.356 169 1HE LYS 16 2HE LYS 16 3.035 -7.628 7.319 170 2HE LYS 16 1HE LYS 16 4.140 -8.667 6.398 171 1HZ LYS 16 1HZ LYS 16 3.575 -9.728 8.481 172 2HZ LYS 16 2HZ LYS 16 4.076 -8.358 9.354 173 3HZ LYS 16 3HZ LYS 16 5.213 -9.285 8.496 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 -6.332 9.066 2.767 2 2H ARG 1 2HT ARG 1 -5.244 10.073 1.938 3 3H ARG 1 3HT ARG 1 -4.816 8.468 2.298 4 HA ARG 1 HA ARG 1 -7.151 9.091 0.585 5 1HB ARG 1 2HB ARG 1 -5.635 8.998 -1.319 6 2HB ARG 1 1HB ARG 1 -5.048 10.225 -0.197 7 1HG ARG 1 2HG ARG 1 -3.792 7.953 0.730 8 2HG ARG 1 1HG ARG 1 -3.808 7.680 -1.012 9 1HD ARG 1 2HD ARG 1 -1.772 8.905 -0.426 10 2HD ARG 1 1HD ARG 1 -2.852 10.004 -1.308 11 HE ARG 1 HE ARG 1 -3.634 10.797 0.977 12 1HH1 ARG 1 1HH1 ARG 1 -0.653 11.390 0.214 13 2HH1 ARG 1 2HH1 ARG 1 0.096 11.135 1.755 14 1HH2 ARG 1 1HH2 ARG 1 -2.653 9.526 3.124 15 2HH2 ARG 1 2HH2 ARG 1 -1.036 10.079 3.402 16 H GLN 2 H GLN 2 -6.462 7.103 -1.283 17 HA GLN 2 HA GLN 2 -6.199 4.614 0.317 18 1HB GLN 2 2HB GLN 2 -8.384 5.522 -1.526 19 2HB GLN 2 1HB GLN 2 -8.060 3.816 -1.247 20 1HG GLN 2 2HG GLN 2 -8.248 4.246 1.222 21 2HG GLN 2 1HG GLN 2 -8.782 5.882 0.836 22 1HE2 GLN 2 1HE2 GLN 2 -10.972 5.613 1.583 23 2HE2 GLN 2 2HE2 GLN 2 -12.070 4.567 0.822 24 H ILE 3 H ILE 3 -6.233 6.068 -2.944 25 HA ILE 3 HA ILE 3 -5.435 4.067 -4.575 26 HB ILE 3 HB ILE 3 -3.742 5.877 -5.461 27 1HG1 ILE 3 2HG1 ILE 3 -5.500 7.794 -4.108 28 2HG1 ILE 3 1HG1 ILE 3 -4.366 6.996 -3.031 29 1HG2 ILE 3 1HG2 ILE 3 -6.652 6.636 -5.412 30 2HG2 ILE 3 2HG2 ILE 3 -6.117 5.182 -6.253 31 3HG2 ILE 3 3HG2 ILE 3 -5.502 6.760 -6.743 32 1HD1 ILE 3 1HD1 ILE 3 -3.807 8.794 -5.353 33 2HD1 ILE 3 2HD1 ILE 3 -2.639 7.536 -4.947 34 3HD1 ILE 3 3HD1 ILE 3 -3.065 8.764 -3.755 35 H LYS 4 H LYS 4 -3.363 5.698 -2.232 36 HA LYS 4 HA LYS 4 -0.968 4.237 -2.808 37 1HB LYS 4 2HB LYS 4 -2.089 5.965 -0.636 38 2HB LYS 4 1HB LYS 4 -0.638 5.038 -0.272 39 1HG LYS 4 2HG LYS 4 0.068 7.168 -1.120 40 2HG LYS 4 1HG LYS 4 0.371 5.973 -2.383 41 1HD LYS 4 2HD LYS 4 -1.483 6.646 -3.638 42 2HD LYS 4 1HD LYS 4 -2.218 7.470 -2.267 43 1HE LYS 4 2HE LYS 4 -1.330 9.362 -3.228 44 2HE LYS 4 1HE LYS 4 0.183 8.807 -2.487 45 1HZ LYS 4 1HZ LYS 4 0.461 7.376 -4.517 46 2HZ LYS 4 2HZ LYS 4 0.632 9.046 -4.779 47 3HZ LYS 4 3HZ LYS 4 -0.803 8.255 -5.229 48 H ILE 5 H ILE 5 -3.717 3.707 -0.673 49 HA ILE 5 HA ILE 5 -2.791 1.636 0.965 50 HB ILE 5 HB ILE 5 -5.400 2.276 -0.406 51 1HG1 ILE 5 2HG1 ILE 5 -5.934 3.356 1.562 52 2HG1 ILE 5 1HG1 ILE 5 -4.980 2.267 2.524 53 1HG2 ILE 5 1HG2 ILE 5 -5.779 0.005 -0.063 54 2HG2 ILE 5 2HG2 ILE 5 -6.291 0.666 1.490 55 3HG2 ILE 5 3HG2 ILE 5 -4.696 -0.069 1.327 56 1HD1 ILE 5 1HD1 ILE 5 -3.928 4.520 0.814 57 2HD1 ILE 5 2HD1 ILE 5 -2.902 3.346 1.637 58 3HD1 ILE 5 3HD1 ILE 5 -3.915 4.439 2.571 59 H PHE 6 H PHE 6 -3.700 1.745 -2.398 60 HA PHE 6 HA PHE 6 -3.669 -1.151 -2.863 61 1HB PHE 6 2HB PHE 6 -4.712 0.916 -4.179 62 2HB PHE 6 1HB PHE 6 -3.140 0.921 -4.978 63 HD1 PHE 6 1HD PHE 6 -2.747 -0.526 -6.779 64 HD2 PHE 6 2HD PHE 6 -5.930 -1.394 -4.028 65 HE1 PHE 6 1HE PHE 6 -3.469 -2.418 -8.211 66 HE2 PHE 6 2HE PHE 6 -6.651 -3.286 -5.460 67 HZ PHE 6 HZ PHE 6 -5.420 -3.798 -7.551 68 H PHE 7 H PHE 7 -1.388 1.527 -3.115 69 HA PHE 7 HA PHE 7 0.798 -0.199 -4.112 70 1HB PHE 7 2HB PHE 7 0.047 2.524 -4.222 71 2HB PHE 7 1HB PHE 7 1.483 2.484 -3.197 72 HD1 PHE 7 1HD PHE 7 3.362 0.744 -4.124 73 HD2 PHE 7 2HD PHE 7 0.425 2.785 -6.503 74 HE1 PHE 7 1HE PHE 7 4.789 0.457 -6.132 75 HE2 PHE 7 2HE PHE 7 1.852 2.498 -8.511 76 HZ PHE 7 HZ PHE 7 4.034 1.333 -8.325 77 H GLN 8 H GLN 8 0.003 1.739 -1.228 78 HA GLN 8 HA GLN 8 2.222 1.208 0.403 79 1HB GLN 8 2HB GLN 8 -0.738 1.425 1.011 80 2HB GLN 8 1HB GLN 8 0.516 1.493 2.239 81 1HG GLN 8 2HG GLN 8 1.578 3.362 0.866 82 2HG GLN 8 1HG GLN 8 0.057 3.442 -0.025 83 1HE2 GLN 8 1HE2 GLN 8 1.010 5.616 1.637 84 2HE2 GLN 8 2HE2 GLN 8 -0.072 5.790 2.933 85 H ASN 9 H ASN 9 -0.590 -0.775 -0.329 86 HA ASN 9 HA ASN 9 -0.170 -2.906 1.512 87 1HB ASN 9 2HB ASN 9 -2.182 -2.475 0.077 88 2HB ASN 9 1HB ASN 9 -1.227 -2.957 -1.328 89 1HD2 ASN 9 1HD2 ASN 9 -3.165 -4.638 -1.318 90 2HD2 ASN 9 2HD2 ASN 9 -2.875 -6.085 -0.480 91 H ARG 10 H ARG 10 1.725 -1.798 -1.067 92 HA ARG 10 HA ARG 10 3.202 -4.390 -1.223 93 1HB ARG 10 2HB ARG 10 2.802 -2.396 -3.450 94 2HB ARG 10 1HB ARG 10 3.427 -4.039 -3.578 95 1HG ARG 10 2HG ARG 10 0.636 -3.386 -2.608 96 2HG ARG 10 1HG ARG 10 1.030 -3.778 -4.267 97 1HD ARG 10 2HD ARG 10 2.116 -5.703 -2.319 98 2HD ARG 10 1HD ARG 10 0.351 -5.660 -2.397 99 HE ARG 10 HE ARG 10 0.748 -6.927 -4.342 100 1HH1 ARG 10 1HH1 ARG 10 3.774 -6.376 -4.237 101 2HH1 ARG 10 2HH1 ARG 10 4.017 -5.646 -5.788 102 1HH2 ARG 10 1HH2 ARG 10 0.644 -5.051 -6.333 103 2HH2 ARG 10 2HH2 ARG 10 2.246 -4.896 -6.976 104 H ARG 11 H ARG 11 3.417 -1.267 -0.113 105 HA ARG 11 HA ARG 11 6.278 -1.018 -0.928 106 1HB ARG 11 2HB ARG 11 5.843 1.225 -1.294 107 2HB ARG 11 1HB ARG 11 4.215 0.618 -1.541 108 1HG ARG 11 2HG ARG 11 3.641 2.151 -0.029 109 2HG ARG 11 1HG ARG 11 4.251 1.011 1.153 110 1HD ARG 11 2HD ARG 11 5.728 3.345 -0.104 111 2HD ARG 11 1HD ARG 11 5.303 3.134 1.593 112 HE ARG 11 HE ARG 11 7.115 1.209 0.238 113 1HH1 ARG 11 1HH1 ARG 11 5.953 2.196 3.200 114 2HH1 ARG 11 2HH1 ARG 11 7.498 2.345 3.968 115 1HH2 ARG 11 1HH2 ARG 11 9.296 1.915 1.036 116 2HH2 ARG 11 2HH2 ARG 11 9.389 2.185 2.744 117 H MET 12 H MET 12 3.905 -0.687 1.635 118 HA MET 12 HA MET 12 6.105 -0.433 3.640 119 1HB MET 12 2HB MET 12 3.930 -0.115 5.127 120 2HB MET 12 1HB MET 12 4.543 1.208 4.142 121 1HG MET 12 2HG MET 12 2.872 1.000 2.589 122 2HG MET 12 1HG MET 12 2.634 -0.705 2.929 123 1HE MET 12 1HE MET 12 3.080 2.155 5.459 124 2HE MET 12 2HE MET 12 1.435 2.700 5.777 125 3HE MET 12 3HE MET 12 2.142 2.943 4.182 126 H LYS 13 H LYS 13 3.423 -2.447 2.588 127 HA LYS 13 HA LYS 13 3.680 -4.418 4.711 128 1HB LYS 13 2HB LYS 13 2.627 -4.834 1.922 129 2HB LYS 13 1HB LYS 13 2.092 -5.614 3.405 130 1HG LYS 13 2HG LYS 13 1.505 -2.848 2.397 131 2HG LYS 13 1HG LYS 13 0.403 -4.075 2.980 132 1HD LYS 13 2HD LYS 13 2.383 -2.948 4.917 133 2HD LYS 13 1HD LYS 13 0.991 -1.962 4.460 134 1HE LYS 13 2HE LYS 13 0.011 -3.129 6.198 135 2HE LYS 13 1HE LYS 13 -0.255 -4.333 4.921 136 1HZ LYS 13 1HZ LYS 13 1.971 -5.242 5.455 137 2HZ LYS 13 2HZ LYS 13 0.861 -5.403 6.731 138 3HZ LYS 13 3HZ LYS 13 2.054 -4.194 6.785 139 H PHE 14 H PHE 14 5.381 -3.479 1.949 140 HA PHE 14 HA PHE 14 6.585 -5.981 1.139 141 1HB PHE 14 2HB PHE 14 6.275 -3.336 0.251 142 2HB PHE 14 1HB PHE 14 8.003 -3.490 0.552 143 HD1 PHE 14 1HD PHE 14 5.315 -5.749 -0.785 144 HD2 PHE 14 2HD PHE 14 9.225 -4.062 -1.346 145 HE1 PHE 14 1HE PHE 14 5.571 -7.041 -2.886 146 HE2 PHE 14 2HE PHE 14 9.481 -5.353 -3.447 147 HZ PHE 14 HZ PHE 14 7.654 -6.843 -4.217 148 H LYS 15 H LYS 15 7.042 -3.708 3.685 149 HA LYS 15 HA LYS 15 9.547 -5.110 4.482 150 1HB LYS 15 2HB LYS 15 10.411 -2.796 5.116 151 2HB LYS 15 1HB LYS 15 10.295 -3.105 3.387 152 1HG LYS 15 2HG LYS 15 7.777 -2.108 4.090 153 2HG LYS 15 1HG LYS 15 8.910 -1.127 5.011 154 1HD LYS 15 2HD LYS 15 9.022 -1.634 2.026 155 2HD LYS 15 1HD LYS 15 8.514 -0.133 2.803 156 1HE LYS 15 2HE LYS 15 10.680 0.440 3.437 157 2HE LYS 15 1HE LYS 15 11.226 -1.248 3.473 158 1HZ LYS 15 1HZ LYS 15 10.835 -1.315 1.039 159 2HZ LYS 15 2HZ LYS 15 12.075 -0.246 1.492 160 3HZ LYS 15 3HZ LYS 15 10.544 0.355 1.068 161 H LYS 16 H LYS 16 6.490 -4.459 5.251 162 HA LYS 16 HA LYS 16 6.407 -3.281 7.763 163 1HB LYS 16 2HB LYS 16 4.262 -4.511 7.921 164 2HB LYS 16 1HB LYS 16 4.511 -3.791 6.327 165 1HG LYS 16 2HG LYS 16 3.721 -6.033 5.967 166 2HG LYS 16 1HG LYS 16 5.438 -6.016 5.566 167 1HD LYS 16 2HD LYS 16 5.964 -7.419 7.242 168 2HD LYS 16 1HD LYS 16 4.927 -6.571 8.391 169 1HE LYS 16 2HE LYS 16 2.934 -7.687 7.279 170 2HE LYS 16 1HE LYS 16 4.091 -8.685 6.376 171 1HZ LYS 16 1HZ LYS 16 3.499 -9.799 8.418 172 2HZ LYS 16 2HZ LYS 16 3.919 -8.429 9.333 173 3HZ LYS 16 3HZ LYS 16 5.118 -9.300 8.502 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -4.410 7.485 0.310 2 2H ARG 1 2HT ARG 1 -3.793 7.603 1.886 3 3H ARG 1 3HT ARG 1 -4.499 8.959 1.146 4 HA ARG 1 HA ARG 1 -5.840 7.522 2.871 5 1HB ARG 1 2HB ARG 1 -7.862 8.330 1.635 6 2HB ARG 1 1HB ARG 1 -6.593 9.553 1.746 7 1HG ARG 1 2HG ARG 1 -5.818 8.558 -0.560 8 2HG ARG 1 1HG ARG 1 -7.470 7.945 -0.638 9 1HD ARG 1 2HD ARG 1 -7.095 10.817 0.125 10 2HD ARG 1 1HD ARG 1 -6.880 10.370 -1.579 11 HE ARG 1 HE ARG 1 -9.240 9.109 -0.512 12 1HH1 ARG 1 1HH1 ARG 1 -8.348 11.108 -2.922 13 2HH1 ARG 1 2HH1 ARG 1 -9.694 12.195 -2.824 14 1HH2 ARG 1 1HH2 ARG 1 -10.821 10.946 0.209 15 2HH2 ARG 1 2HH2 ARG 1 -11.094 12.103 -1.051 16 H GLN 2 H GLN 2 -5.782 6.576 -0.576 17 HA GLN 2 HA GLN 2 -6.442 3.811 0.201 18 1HB GLN 2 2HB GLN 2 -8.061 5.703 -1.449 19 2HB GLN 2 1HB GLN 2 -8.147 3.961 -1.673 20 1HG GLN 2 2HG GLN 2 -8.537 3.797 0.847 21 2HG GLN 2 1HG GLN 2 -8.828 5.535 0.803 22 1HE2 GLN 2 1HE2 GLN 2 -10.995 6.059 0.528 23 2HE2 GLN 2 2HE2 GLN 2 -12.141 5.097 -0.274 24 H ILE 3 H ILE 3 -6.156 5.889 -2.721 25 HA ILE 3 HA ILE 3 -5.281 4.004 -4.507 26 HB ILE 3 HB ILE 3 -4.339 5.849 -5.741 27 1HG1 ILE 3 2HG1 ILE 3 -2.995 6.731 -3.858 28 2HG1 ILE 3 1HG1 ILE 3 -3.841 7.976 -4.741 29 1HG2 ILE 3 1HG2 ILE 3 -6.322 7.564 -4.588 30 2HG2 ILE 3 2HG2 ILE 3 -6.920 5.906 -4.549 31 3HG2 ILE 3 3HG2 ILE 3 -6.411 6.625 -6.077 32 1HD1 ILE 3 1HD1 ILE 3 -5.673 7.785 -2.961 33 2HD1 ILE 3 2HD1 ILE 3 -4.160 8.539 -2.465 34 3HD1 ILE 3 3HD1 ILE 3 -4.498 6.872 -2.018 35 H LYS 4 H LYS 4 -3.346 5.710 -2.070 36 HA LYS 4 HA LYS 4 -0.853 4.452 -2.738 37 1HB LYS 4 2HB LYS 4 -2.046 6.008 -0.468 38 2HB LYS 4 1HB LYS 4 -0.537 5.147 -0.176 39 1HG LYS 4 2HG LYS 4 0.069 7.336 -0.894 40 2HG LYS 4 1HG LYS 4 0.354 6.267 -2.271 41 1HD LYS 4 2HD LYS 4 -1.518 7.000 -3.401 42 2HD LYS 4 1HD LYS 4 -2.303 7.573 -1.935 43 1HE LYS 4 2HE LYS 4 -0.210 9.224 -1.863 44 2HE LYS 4 1HE LYS 4 -0.223 8.928 -3.613 45 1HZ LYS 4 1HZ LYS 4 -2.601 9.698 -2.002 46 2HZ LYS 4 2HZ LYS 4 -2.553 9.479 -3.687 47 3HZ LYS 4 3HZ LYS 4 -1.707 10.767 -2.971 48 H ILE 5 H ILE 5 -3.467 3.859 -0.475 49 HA ILE 5 HA ILE 5 -2.454 1.652 0.970 50 HB ILE 5 HB ILE 5 -5.256 2.190 -0.105 51 1HG1 ILE 5 2HG1 ILE 5 -4.846 4.161 1.027 52 2HG1 ILE 5 1HG1 ILE 5 -5.306 3.170 2.401 53 1HG2 ILE 5 1HG2 ILE 5 -5.986 0.980 1.926 54 2HG2 ILE 5 2HG2 ILE 5 -4.303 0.696 2.371 55 3HG2 ILE 5 3HG2 ILE 5 -4.969 -0.049 0.917 56 1HD1 ILE 5 1HD1 ILE 5 -2.784 2.605 2.576 57 2HD1 ILE 5 2HD1 ILE 5 -3.290 4.218 3.077 58 3HD1 ILE 5 3HD1 ILE 5 -2.542 3.980 1.499 59 H PHE 6 H PHE 6 -3.642 1.981 -2.270 60 HA PHE 6 HA PHE 6 -3.888 -0.889 -2.829 61 1HB PHE 6 2HB PHE 6 -4.969 1.119 -4.040 62 2HB PHE 6 1HB PHE 6 -3.393 1.375 -4.791 63 HD1 PHE 6 1HD PHE 6 -2.300 -0.710 -5.934 64 HD2 PHE 6 2HD PHE 6 -6.484 -0.377 -5.019 65 HE1 PHE 6 1HE PHE 6 -2.806 -2.472 -7.604 66 HE2 PHE 6 2HE PHE 6 -6.990 -2.139 -6.690 67 HZ PHE 6 HZ PHE 6 -5.150 -3.187 -7.982 68 H PHE 7 H PHE 7 -1.419 1.599 -3.072 69 HA PHE 7 HA PHE 7 0.577 -0.269 -4.230 70 1HB PHE 7 2HB PHE 7 0.048 2.578 -4.121 71 2HB PHE 7 1HB PHE 7 1.660 2.261 -3.480 72 HD1 PHE 7 1HD PHE 7 2.756 0.105 -4.960 73 HD2 PHE 7 2HD PHE 7 0.135 3.206 -6.360 74 HE1 PHE 7 1HE PHE 7 3.607 -0.217 -7.267 75 HE2 PHE 7 2HE PHE 7 0.986 2.884 -8.667 76 HZ PHE 7 HZ PHE 7 2.722 1.173 -9.120 77 H GLN 8 H GLN 8 0.263 1.871 -1.373 78 HA GLN 8 HA GLN 8 2.452 1.131 0.154 79 1HB GLN 8 2HB GLN 8 -0.449 1.566 0.948 80 2HB GLN 8 1HB GLN 8 0.898 1.591 2.076 81 1HG GLN 8 2HG GLN 8 1.934 3.341 0.467 82 2HG GLN 8 1HG GLN 8 0.283 3.549 -0.126 83 1HE2 GLN 8 1HE2 GLN 8 2.304 3.760 2.823 84 2HE2 GLN 8 2HE2 GLN 8 1.251 4.792 3.664 85 H ASN 9 H ASN 9 -0.481 -0.692 -0.508 86 HA ASN 9 HA ASN 9 -0.208 -2.821 1.370 87 1HB ASN 9 2HB ASN 9 -2.189 -2.316 -0.058 88 2HB ASN 9 1HB ASN 9 -1.265 -2.812 -1.479 89 1HD2 ASN 9 1HD2 ASN 9 -3.198 -4.445 -1.558 90 2HD2 ASN 9 2HD2 ASN 9 -2.992 -5.903 -0.712 91 H ARG 10 H ARG 10 1.769 -1.859 -1.211 92 HA ARG 10 HA ARG 10 3.109 -4.534 -1.317 93 1HB ARG 10 2HB ARG 10 2.837 -2.517 -3.548 94 2HB ARG 10 1HB ARG 10 3.421 -4.177 -3.674 95 1HG ARG 10 2HG ARG 10 0.630 -3.462 -2.745 96 2HG ARG 10 1HG ARG 10 1.042 -3.838 -4.406 97 1HD ARG 10 2HD ARG 10 2.187 -5.968 -3.187 98 2HD ARG 10 1HD ARG 10 0.846 -5.665 -2.080 99 HE ARG 10 HE ARG 10 0.440 -6.952 -4.445 100 1HH1 ARG 10 1HH2 ARG 10 -1.106 -4.657 -2.558 101 2HH1 ARG 10 2HH2 ARG 10 -2.301 -4.232 -3.738 102 1HH2 ARG 10 1HH1 ARG 10 -0.829 -6.077 -6.279 103 2HH2 ARG 10 2HH1 ARG 10 -2.144 -5.037 -5.845 104 H ARG 11 H ARG 11 3.410 -1.385 -0.317 105 HA ARG 11 HA ARG 11 6.320 -1.200 -0.974 106 1HB ARG 11 2HB ARG 11 4.661 1.086 0.029 107 2HB ARG 11 1HB ARG 11 5.975 1.103 -1.145 108 1HG ARG 11 2HG ARG 11 3.944 -0.464 -2.270 109 2HG ARG 11 1HG ARG 11 3.147 0.931 -1.583 110 1HD ARG 11 2HD ARG 11 5.519 1.031 -3.470 111 2HD ARG 11 1HD ARG 11 3.844 1.422 -3.889 112 HE ARG 11 HE ARG 11 5.232 2.869 -1.694 113 1HH1 ARG 11 1HH1 ARG 11 5.509 3.710 -4.677 114 2HH1 ARG 11 2HH1 ARG 11 4.347 4.993 -4.737 115 1HH2 ARG 11 1HH2 ARG 11 2.840 4.124 -1.737 116 2HH2 ARG 11 2HH2 ARG 11 2.835 5.228 -3.072 117 H MET 12 H MET 12 3.884 -0.404 1.459 118 HA MET 12 HA MET 12 5.958 -0.328 3.567 119 1HB MET 12 2HB MET 12 3.882 0.098 5.007 120 2HB MET 12 1HB MET 12 4.296 1.326 3.818 121 1HG MET 12 2HG MET 12 2.585 0.697 2.399 122 2HG MET 12 1HG MET 12 2.448 -0.904 3.112 123 1HE MET 12 1HE MET 12 2.039 0.249 6.671 124 2HE MET 12 2HE MET 12 2.422 -1.063 5.559 125 3HE MET 12 3HE MET 12 0.770 -0.860 6.136 126 H LYS 13 H LYS 13 3.303 -2.392 2.513 127 HA LYS 13 HA LYS 13 3.523 -4.296 4.690 128 1HB LYS 13 2HB LYS 13 2.580 -4.795 1.872 129 2HB LYS 13 1HB LYS 13 2.026 -5.583 3.344 130 1HG LYS 13 2HG LYS 13 1.407 -2.823 2.327 131 2HG LYS 13 1HG LYS 13 0.308 -4.086 2.837 132 1HD LYS 13 2HD LYS 13 2.182 -2.875 4.843 133 2HD LYS 13 1HD LYS 13 0.703 -2.027 4.390 134 1HE LYS 13 2HE LYS 13 -0.145 -3.316 6.119 135 2HE LYS 13 1HE LYS 13 -0.327 -4.493 4.803 136 1HZ LYS 13 1HZ LYS 13 0.933 -5.318 6.797 137 2HZ LYS 13 2HZ LYS 13 2.162 -4.218 6.392 138 3HZ LYS 13 3HZ LYS 13 1.749 -5.467 5.318 139 H PHE 14 H PHE 14 5.331 -3.461 1.959 140 HA PHE 14 HA PHE 14 6.586 -5.994 1.332 141 1HB PHE 14 2HB PHE 14 6.264 -3.421 0.280 142 2HB PHE 14 1HB PHE 14 7.983 -3.516 0.645 143 HD1 PHE 14 1HD PHE 14 9.290 -4.192 -1.160 144 HD2 PHE 14 2HD PHE 14 5.376 -5.890 -0.658 145 HE1 PHE 14 1HE PHE 14 9.641 -5.596 -3.173 146 HE2 PHE 14 2HE PHE 14 5.728 -7.295 -2.671 147 HZ PHE 14 HZ PHE 14 7.861 -7.148 -3.929 148 H LYS 15 H LYS 15 6.923 -3.585 3.761 149 HA LYS 15 HA LYS 15 9.424 -4.893 4.713 150 1HB LYS 15 2HB LYS 15 10.225 -2.527 5.254 151 2HB LYS 15 1HB LYS 15 10.187 -2.939 3.542 152 1HG LYS 15 2HG LYS 15 7.621 -1.952 4.083 153 2HG LYS 15 1HG LYS 15 8.701 -0.893 4.984 154 1HD LYS 15 2HD LYS 15 9.012 -1.606 2.057 155 2HD LYS 15 1HD LYS 15 8.338 -0.092 2.664 156 1HE LYS 15 2HE LYS 15 11.085 -0.998 3.541 157 2HE LYS 15 1HE LYS 15 10.858 -0.091 2.032 158 1HZ LYS 15 1HZ LYS 15 11.186 1.428 3.880 159 2HZ LYS 15 2HZ LYS 15 9.888 0.726 4.722 160 3HZ LYS 15 3HZ LYS 15 9.608 1.576 3.278 161 H LYS 16 H LYS 16 6.335 -4.267 5.341 162 HA LYS 16 HA LYS 16 6.142 -2.959 7.783 163 1HB LYS 16 2HB LYS 16 4.008 -4.210 7.924 164 2HB LYS 16 1HB LYS 16 4.306 -3.572 6.305 165 1HG LYS 16 2HG LYS 16 3.559 -5.843 6.040 166 2HG LYS 16 1HG LYS 16 5.288 -5.819 5.695 167 1HD LYS 16 2HD LYS 16 5.779 -7.114 7.470 168 2HD LYS 16 1HD LYS 16 4.677 -6.231 8.529 169 1HE LYS 16 2HE LYS 16 3.374 -8.110 8.436 170 2HE LYS 16 1HE LYS 16 2.951 -7.574 6.797 171 1HZ LYS 16 1HZ LYS 16 4.962 -8.704 5.987 172 2HZ LYS 16 2HZ LYS 16 3.868 -9.790 6.700 173 3HZ LYS 16 3HZ LYS 16 5.255 -9.298 7.549 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -4.169 9.959 1.254 2 2H ARG 1 2HT ARG 1 -3.698 8.374 0.861 3 3H ARG 1 3HT ARG 1 -4.114 8.766 2.460 4 HA ARG 1 HA ARG 1 -6.373 8.916 1.990 5 1HB ARG 1 2HB ARG 1 -7.062 9.004 -0.471 6 2HB ARG 1 1HB ARG 1 -6.221 10.423 0.152 7 1HG ARG 1 2HG ARG 1 -4.068 9.405 -0.740 8 2HG ARG 1 1HG ARG 1 -5.065 8.204 -1.558 9 1HD ARG 1 2HD ARG 1 -5.219 11.216 -1.947 10 2HD ARG 1 1HD ARG 1 -4.607 10.032 -3.119 11 HE ARG 1 HE ARG 1 -7.096 9.041 -2.580 12 1HH1 ARG 1 1HH1 ARG 1 -7.329 12.134 -1.873 13 2HH1 ARG 1 2HH1 ARG 1 -8.165 12.666 -3.293 14 1HH2 ARG 1 1HH2 ARG 1 -7.570 9.745 -5.062 15 2HH2 ARG 1 2HH2 ARG 1 -8.302 11.314 -5.099 16 H GLN 2 H GLN 2 -6.487 7.203 -0.908 17 HA GLN 2 HA GLN 2 -6.084 4.615 0.512 18 1HB GLN 2 2HB GLN 2 -8.284 5.605 -1.280 19 2HB GLN 2 1HB GLN 2 -8.006 3.898 -0.965 20 1HG GLN 2 2HG GLN 2 -8.148 4.394 1.498 21 2HG GLN 2 1HG GLN 2 -8.647 6.032 1.077 22 1HE2 GLN 2 1HE2 GLN 2 -10.743 5.415 2.214 23 2HE2 GLN 2 2HE2 GLN 2 -11.912 4.553 1.337 24 H ILE 3 H ILE 3 -6.340 6.080 -2.752 25 HA ILE 3 HA ILE 3 -5.580 4.131 -4.428 26 HB ILE 3 HB ILE 3 -3.943 5.951 -5.386 27 1HG1 ILE 3 2HG1 ILE 3 -5.622 7.850 -3.915 28 2HG1 ILE 3 1HG1 ILE 3 -4.428 7.040 -2.916 29 1HG2 ILE 3 1HG2 ILE 3 -6.103 7.253 -6.058 30 2HG2 ILE 3 2HG2 ILE 3 -6.938 5.982 -5.165 31 3HG2 ILE 3 3HG2 ILE 3 -5.935 5.569 -6.555 32 1HD1 ILE 3 1HD1 ILE 3 -4.008 8.887 -5.219 33 2HD1 ILE 3 2HD1 ILE 3 -2.829 7.604 -4.947 34 3HD1 ILE 3 3HD1 ILE 3 -3.148 8.793 -3.683 35 H LYS 4 H LYS 4 -3.341 5.731 -2.207 36 HA LYS 4 HA LYS 4 -1.021 4.233 -2.984 37 1HB LYS 4 2HB LYS 4 -1.923 5.964 -0.710 38 2HB LYS 4 1HB LYS 4 -0.446 5.031 -0.501 39 1HG LYS 4 2HG LYS 4 0.098 7.225 -1.404 40 2HG LYS 4 1HG LYS 4 0.419 5.987 -2.621 41 1HD LYS 4 2HD LYS 4 -1.542 6.496 -3.818 42 2HD LYS 4 1HD LYS 4 -2.220 7.402 -2.469 43 1HE LYS 4 2HE LYS 4 0.371 8.312 -3.713 44 2HE LYS 4 1HE LYS 4 -1.177 8.754 -4.461 45 1HZ LYS 4 1HZ LYS 4 -1.941 9.590 -2.333 46 2HZ LYS 4 2HZ LYS 4 -0.507 10.381 -2.785 47 3HZ LYS 4 3HZ LYS 4 -0.471 9.161 -1.603 48 H ILE 5 H ILE 5 -3.624 3.715 -0.689 49 HA ILE 5 HA ILE 5 -2.616 1.638 0.895 50 HB ILE 5 HB ILE 5 -5.295 2.321 -0.310 51 1HG1 ILE 5 2HG1 ILE 5 -5.697 3.367 1.717 52 2HG1 ILE 5 1HG1 ILE 5 -4.663 2.273 2.585 53 1HG2 ILE 5 1HG2 ILE 5 -4.519 -0.066 1.324 54 2HG2 ILE 5 2HG2 ILE 5 -5.714 0.066 0.033 55 3HG2 ILE 5 3HG2 ILE 5 -6.075 0.700 1.638 56 1HD1 ILE 5 1HD1 ILE 5 -3.601 4.448 2.566 57 2HD1 ILE 5 2HD1 ILE 5 -3.760 4.544 0.817 58 3HD1 ILE 5 3HD1 ILE 5 -2.669 3.366 1.541 59 H PHE 6 H PHE 6 -3.746 1.756 -2.407 60 HA PHE 6 HA PHE 6 -3.795 -1.128 -2.887 61 1HB PHE 6 2HB PHE 6 -4.877 0.850 -4.195 62 2HB PHE 6 1HB PHE 6 -3.288 1.044 -4.934 63 HD1 PHE 6 1HD PHE 6 -6.360 -0.855 -4.918 64 HD2 PHE 6 2HD PHE 6 -2.235 -0.956 -6.117 65 HE1 PHE 6 1HE PHE 6 -6.860 -2.711 -6.487 66 HE2 PHE 6 2HE PHE 6 -2.736 -2.810 -7.686 67 HZ PHE 6 HZ PHE 6 -5.048 -3.688 -7.871 68 H PHE 7 H PHE 7 -1.448 1.481 -3.219 69 HA PHE 7 HA PHE 7 0.671 -0.321 -4.229 70 1HB PHE 7 2HB PHE 7 0.031 2.500 -4.145 71 2HB PHE 7 1HB PHE 7 1.630 2.248 -3.443 72 HD1 PHE 7 1HD PHE 7 2.944 0.221 -4.844 73 HD2 PHE 7 2HD PHE 7 0.096 3.029 -6.410 74 HE1 PHE 7 1HE PHE 7 3.893 -0.084 -7.114 75 HE2 PHE 7 2HE PHE 7 1.045 2.724 -8.682 76 HZ PHE 7 HZ PHE 7 2.944 1.167 -9.034 77 H GLN 8 H GLN 8 0.185 1.794 -1.374 78 HA GLN 8 HA GLN 8 2.355 1.145 0.215 79 1HB GLN 8 2HB GLN 8 -0.586 1.419 0.922 80 2HB GLN 8 1HB GLN 8 0.721 1.501 2.093 81 1HG GLN 8 2HG GLN 8 1.729 3.321 0.569 82 2HG GLN 8 1HG GLN 8 0.115 3.430 -0.138 83 1HE2 GLN 8 1HE2 GLN 8 1.726 5.295 1.759 84 2HE2 GLN 8 2HE2 GLN 8 0.633 5.619 3.018 85 H ASN 9 H ASN 9 -0.485 -0.807 -0.503 86 HA ASN 9 HA ASN 9 -0.144 -2.932 1.361 87 1HB ASN 9 2HB ASN 9 -2.112 -2.504 -0.111 88 2HB ASN 9 1HB ASN 9 -1.138 -2.970 -1.509 89 1HD2 ASN 9 1HD2 ASN 9 -1.405 -5.123 -2.093 90 2HD2 ASN 9 2HD2 ASN 9 -1.827 -6.380 -1.033 91 H ARG 10 H ARG 10 1.828 -1.878 -1.192 92 HA ARG 10 HA ARG 10 3.292 -4.487 -1.269 93 1HB ARG 10 2HB ARG 10 2.994 -2.441 -3.475 94 2HB ARG 10 1HB ARG 10 3.682 -4.060 -3.612 95 1HG ARG 10 2HG ARG 10 0.823 -3.522 -2.774 96 2HG ARG 10 1HG ARG 10 1.317 -3.868 -4.419 97 1HD ARG 10 2HD ARG 10 2.328 -6.030 -3.612 98 2HD ARG 10 1HD ARG 10 1.644 -5.694 -2.021 99 HE ARG 10 HE ARG 10 -0.291 -6.612 -2.960 100 1HH1 ARG 10 1HH1 ARG 10 1.315 -6.616 -5.690 101 2HH1 ARG 10 2HH1 ARG 10 0.114 -5.895 -6.709 102 1HH2 ARG 10 1HH2 ARG 10 -1.857 -4.812 -4.070 103 2HH2 ARG 10 2HH2 ARG 10 -1.681 -4.873 -5.791 104 H ARG 11 H ARG 11 3.432 -1.327 -0.237 105 HA ARG 11 HA ARG 11 6.357 -1.018 -0.775 106 1HB ARG 11 2HB ARG 11 4.557 1.177 0.197 107 2HB ARG 11 1HB ARG 11 5.918 1.275 -0.917 108 1HG ARG 11 2HG ARG 11 4.009 -0.364 -2.155 109 2HG ARG 11 1HG ARG 11 3.122 0.986 -1.485 110 1HD ARG 11 2HD ARG 11 5.568 1.215 -3.265 111 2HD ARG 11 1HD ARG 11 3.900 1.553 -3.747 112 HE ARG 11 HE ARG 11 5.106 3.002 -1.454 113 1HH1 ARG 11 1HH1 ARG 11 5.248 3.564 -4.641 114 2HH1 ARG 11 2HH1 ARG 11 4.238 4.971 -4.676 115 1HH2 ARG 11 1HH2 ARG 11 3.080 4.546 -1.436 116 2HH2 ARG 11 2HH2 ARG 11 3.011 5.526 -2.862 117 H MET 12 H MET 12 3.786 -0.470 1.580 118 HA MET 12 HA MET 12 5.782 -0.304 3.761 119 1HB MET 12 2HB MET 12 3.610 -0.035 5.128 120 2HB MET 12 1HB MET 12 4.050 1.266 4.025 121 1HG MET 12 2HG MET 12 2.442 0.643 2.479 122 2HG MET 12 1HG MET 12 2.320 -0.990 3.123 123 1HE MET 12 1HE MET 12 0.537 2.894 4.661 124 2HE MET 12 2HE MET 12 1.815 2.625 3.479 125 3HE MET 12 3HE MET 12 2.187 2.550 5.198 126 H LYS 13 H LYS 13 3.355 -2.484 2.497 127 HA LYS 13 HA LYS 13 3.623 -4.401 4.684 128 1HB LYS 13 2HB LYS 13 2.584 -4.915 1.913 129 2HB LYS 13 1HB LYS 13 2.049 -5.643 3.423 130 1HG LYS 13 2HG LYS 13 1.484 -2.884 2.360 131 2HG LYS 13 1HG LYS 13 0.355 -4.125 2.850 132 1HD LYS 13 2HD LYS 13 2.224 -2.991 4.899 133 2HD LYS 13 1HD LYS 13 0.796 -2.070 4.419 134 1HE LYS 13 2HE LYS 13 -0.611 -3.481 5.523 135 2HE LYS 13 1HE LYS 13 0.246 -4.923 4.943 136 1HZ LYS 13 1HZ LYS 13 2.064 -4.361 6.489 137 2HZ LYS 13 2HZ LYS 13 0.608 -4.701 7.297 138 3HZ LYS 13 3HZ LYS 13 1.125 -3.093 7.114 139 H PHE 14 H PHE 14 5.437 -3.407 2.061 140 HA PHE 14 HA PHE 14 6.607 -5.930 1.245 141 1HB PHE 14 2HB PHE 14 6.301 -3.352 0.283 142 2HB PHE 14 1HB PHE 14 8.014 -3.412 0.689 143 HD1 PHE 14 1HD PHE 14 9.489 -4.220 -0.927 144 HD2 PHE 14 2HD PHE 14 5.413 -5.578 -0.939 145 HE1 PHE 14 1HE PHE 14 9.936 -5.546 -2.974 146 HE2 PHE 14 2HE PHE 14 5.861 -6.904 -2.987 147 HZ PHE 14 HZ PHE 14 8.123 -6.888 -4.003 148 H LYS 15 H LYS 15 7.107 -3.585 3.724 149 HA LYS 15 HA LYS 15 9.578 -5.041 4.564 150 1HB LYS 15 2HB LYS 15 10.134 -2.461 5.252 151 2HB LYS 15 1HB LYS 15 10.652 -3.185 3.730 152 1HG LYS 15 2HG LYS 15 9.560 -1.110 3.185 153 2HG LYS 15 1HG LYS 15 8.441 -2.396 2.742 154 1HD LYS 15 2HD LYS 15 6.928 -1.673 4.186 155 2HD LYS 15 1HD LYS 15 8.087 -1.656 5.511 156 1HE LYS 15 2HE LYS 15 7.807 0.552 3.434 157 2HE LYS 15 1HE LYS 15 7.187 0.630 5.094 158 1HZ LYS 15 1HZ LYS 15 9.980 0.537 4.161 159 2HZ LYS 15 2HZ LYS 15 9.592 -0.091 5.691 160 3HZ LYS 15 3HZ LYS 15 9.278 1.540 5.333 161 H LYS 16 H LYS 16 6.537 -4.379 5.295 162 HA LYS 16 HA LYS 16 6.367 -3.134 7.754 163 1HB LYS 16 2HB LYS 16 4.292 -4.492 7.948 164 2HB LYS 16 1HB LYS 16 4.509 -3.791 6.343 165 1HG LYS 16 2HG LYS 16 3.843 -6.079 6.027 166 2HG LYS 16 1HG LYS 16 5.556 -5.972 5.622 167 1HD LYS 16 2HD LYS 16 6.153 -7.330 7.312 168 2HD LYS 16 1HD LYS 16 5.097 -6.500 8.457 169 1HE LYS 16 2HE LYS 16 3.399 -8.011 8.163 170 2HE LYS 16 1HE LYS 16 3.684 -8.125 6.414 171 1HZ LYS 16 1HZ LYS 16 4.336 -10.173 7.542 172 2HZ LYS 16 2HZ LYS 16 5.414 -9.304 8.527 173 3HZ LYS 16 3HZ LYS 16 5.683 -9.406 6.852 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -5.773 8.957 -1.353 2 2H ARG 1 2HT ARG 1 -4.291 8.602 -0.606 3 3H ARG 1 3HT ARG 1 -5.013 10.122 -0.385 4 HA ARG 1 HA ARG 1 -5.354 8.803 1.590 5 1HB ARG 1 2HB ARG 1 -7.814 9.040 1.601 6 2HB ARG 1 1HB ARG 1 -7.053 10.411 0.789 7 1HG ARG 1 2HG ARG 1 -7.607 9.551 -1.377 8 2HG ARG 1 1HG ARG 1 -8.077 7.987 -0.710 9 1HD ARG 1 2HD ARG 1 -10.174 8.976 -0.959 10 2HD ARG 1 1HD ARG 1 -9.779 9.511 0.688 11 HE ARG 1 HE ARG 1 -9.248 11.688 -0.175 12 1HH1 ARG 1 1HH2 ARG 1 -11.682 10.929 -1.890 13 2HH1 ARG 1 2HH2 ARG 1 -11.133 11.417 -3.460 14 1HH2 ARG 1 1HH1 ARG 1 -7.806 11.656 -2.514 15 2HH2 ARG 1 2HH1 ARG 1 -8.939 11.829 -3.813 16 H GLN 2 H GLN 2 -6.203 7.146 -1.401 17 HA GLN 2 HA GLN 2 -6.285 4.591 0.109 18 1HB GLN 2 2HB GLN 2 -8.225 5.725 -1.895 19 2HB GLN 2 1HB GLN 2 -8.139 4.015 -1.501 20 1HG GLN 2 2HG GLN 2 -8.311 4.779 0.961 21 2HG GLN 2 1HG GLN 2 -8.901 6.299 0.289 22 1HE2 GLN 2 1HE2 GLN 2 -9.483 2.804 -0.450 23 2HE2 GLN 2 2HE2 GLN 2 -11.174 2.945 -0.476 24 H ILE 3 H ILE 3 -5.862 6.199 -3.051 25 HA ILE 3 HA ILE 3 -5.163 4.079 -4.651 26 HB ILE 3 HB ILE 3 -3.836 5.695 -5.889 27 1HG1 ILE 3 2HG1 ILE 3 -2.582 6.505 -3.877 28 2HG1 ILE 3 1HG1 ILE 3 -3.108 7.776 -4.951 29 1HG2 ILE 3 1HG2 ILE 3 -6.484 6.210 -4.930 30 2HG2 ILE 3 2HG2 ILE 3 -5.767 6.664 -6.476 31 3HG2 ILE 3 3HG2 ILE 3 -5.637 7.749 -5.093 32 1HD1 ILE 3 1HD1 ILE 3 -3.616 8.599 -2.804 33 2HD1 ILE 3 2HD1 ILE 3 -4.231 7.044 -2.259 34 3HD1 ILE 3 3HD1 ILE 3 -5.157 8.001 -3.411 35 H LYS 4 H LYS 4 -3.310 5.612 -2.117 36 HA LYS 4 HA LYS 4 -0.862 4.164 -2.489 37 1HB LYS 4 2HB LYS 4 -2.052 5.399 0.020 38 2HB LYS 4 1HB LYS 4 -0.343 5.108 -0.284 39 1HG LYS 4 2HG LYS 4 -2.152 7.139 -1.561 40 2HG LYS 4 1HG LYS 4 -0.603 7.391 -0.752 41 1HD LYS 4 2HD LYS 4 -0.986 5.885 -3.348 42 2HD LYS 4 1HD LYS 4 -0.406 7.524 -3.200 43 1HE LYS 4 2HE LYS 4 1.193 6.009 -1.432 44 2HE LYS 4 1HE LYS 4 1.111 5.097 -2.953 45 1HZ LYS 4 1HZ LYS 4 2.858 6.776 -3.041 46 2HZ LYS 4 2HZ LYS 4 1.725 7.997 -2.705 47 3HZ LYS 4 3HZ LYS 4 1.633 7.124 -4.161 48 H ILE 5 H ILE 5 -3.805 3.624 -0.631 49 HA ILE 5 HA ILE 5 -3.035 1.511 1.027 50 HB ILE 5 HB ILE 5 -5.518 2.203 -0.545 51 1HG1 ILE 5 2HG1 ILE 5 -6.175 3.314 1.352 52 2HG1 ILE 5 1HG1 ILE 5 -5.398 2.170 2.401 53 1HG2 ILE 5 1HG2 ILE 5 -5.156 -0.019 1.488 54 2HG2 ILE 5 2HG2 ILE 5 -5.635 -0.202 -0.199 55 3HG2 ILE 5 3HG2 ILE 5 -6.723 0.581 0.946 56 1HD1 ILE 5 1HD1 ILE 5 -4.222 4.261 2.623 57 2HD1 ILE 5 2HD1 ILE 5 -4.057 4.402 0.879 58 3HD1 ILE 5 3HD1 ILE 5 -3.174 3.151 1.751 59 H PHE 6 H PHE 6 -3.646 1.697 -2.395 60 HA PHE 6 HA PHE 6 -3.550 -1.211 -2.866 61 1HB PHE 6 2HB PHE 6 -3.286 1.193 -4.714 62 2HB PHE 6 1HB PHE 6 -3.535 -0.469 -5.245 63 HD1 PHE 6 1HD PHE 6 -5.477 -1.421 -3.176 64 HD2 PHE 6 2HD PHE 6 -5.289 2.274 -5.360 65 HE1 PHE 6 1HE PHE 6 -7.924 -1.136 -2.906 66 HE2 PHE 6 2HE PHE 6 -7.737 2.558 -5.089 67 HZ PHE 6 HZ PHE 6 -9.055 0.853 -3.861 68 H PHE 7 H PHE 7 -1.340 1.550 -3.084 69 HA PHE 7 HA PHE 7 0.937 -0.111 -3.993 70 1HB PHE 7 2HB PHE 7 0.141 2.557 -4.171 71 2HB PHE 7 1HB PHE 7 1.406 2.605 -2.942 72 HD1 PHE 7 1HD PHE 7 3.578 2.932 -3.696 73 HD2 PHE 7 2HD PHE 7 0.772 0.903 -6.236 74 HE1 PHE 7 1HE PHE 7 5.310 2.746 -5.460 75 HE2 PHE 7 2HE PHE 7 2.504 0.717 -8.001 76 HZ PHE 7 HZ PHE 7 4.773 1.638 -7.612 77 H GLN 8 H GLN 8 -0.098 1.668 -1.094 78 HA GLN 8 HA GLN 8 2.090 1.173 0.612 79 1HB GLN 8 2HB GLN 8 -0.894 1.371 1.055 80 2HB GLN 8 1HB GLN 8 0.269 1.359 2.368 81 1HG GLN 8 2HG GLN 8 1.453 3.233 0.978 82 2HG GLN 8 1HG GLN 8 -0.151 3.469 0.276 83 1HE2 GLN 8 1HE2 GLN 8 -1.750 4.474 1.607 84 2HE2 GLN 8 2HE2 GLN 8 -1.453 4.997 3.193 85 H ASN 9 H ASN 9 -0.692 -0.831 -0.219 86 HA ASN 9 HA ASN 9 -0.214 -3.000 1.566 87 1HB ASN 9 2HB ASN 9 -2.252 -2.524 0.161 88 2HB ASN 9 1HB ASN 9 -1.322 -3.037 -1.250 89 1HD2 ASN 9 1HD2 ASN 9 -1.928 -4.325 2.080 90 2HD2 ASN 9 2HD2 ASN 9 -2.207 -5.917 1.565 91 H ARG 10 H ARG 10 1.583 -1.827 -1.068 92 HA ARG 10 HA ARG 10 3.133 -4.367 -1.236 93 1HB ARG 10 2HB ARG 10 3.280 -2.868 -3.681 94 2HB ARG 10 1HB ARG 10 2.618 -4.484 -3.434 95 1HG ARG 10 2HG ARG 10 0.473 -3.438 -2.720 96 2HG ARG 10 1HG ARG 10 1.167 -1.864 -3.061 97 1HD ARG 10 2HD ARG 10 -0.185 -2.676 -4.993 98 2HD ARG 10 1HD ARG 10 1.518 -2.531 -5.433 99 HE ARG 10 HE ARG 10 1.243 -4.810 -5.941 100 1HH1 ARG 10 1HH1 ARG 10 -1.513 -4.600 -4.373 101 2HH1 ARG 10 2HH1 ARG 10 -1.331 -5.975 -3.336 102 1HH2 ARG 10 1HH2 ARG 10 2.055 -6.347 -3.983 103 2HH2 ARG 10 2HH2 ARG 10 0.689 -6.964 -3.114 104 H ARG 11 H ARG 11 3.333 -1.342 -0.068 105 HA ARG 11 HA ARG 11 6.149 -1.001 -1.001 106 1HB ARG 11 2HB ARG 11 5.698 1.251 -1.341 107 2HB ARG 11 1HB ARG 11 4.101 0.592 -1.653 108 1HG ARG 11 2HG ARG 11 3.385 2.061 -0.152 109 2HG ARG 11 1HG ARG 11 4.071 1.002 1.063 110 1HD ARG 11 2HD ARG 11 5.441 3.359 -0.276 111 2HD ARG 11 1HD ARG 11 4.925 3.258 1.408 112 HE ARG 11 HE ARG 11 6.908 1.341 0.297 113 1HH1 ARG 11 1HH1 ARG 11 5.495 2.529 3.093 114 2HH1 ARG 11 2HH1 ARG 11 6.976 2.748 3.964 115 1HH2 ARG 11 1HH2 ARG 11 8.994 2.094 1.223 116 2HH2 ARG 11 2HH2 ARG 11 8.955 2.501 2.905 117 H MET 12 H MET 12 3.822 -0.686 1.602 118 HA MET 12 HA MET 12 6.061 -0.367 3.560 119 1HB MET 12 2HB MET 12 3.911 -0.100 5.095 120 2HB MET 12 1HB MET 12 4.475 1.239 4.104 121 1HG MET 12 2HG MET 12 2.771 1.004 2.590 122 2HG MET 12 1HG MET 12 2.589 -0.708 2.916 123 1HE MET 12 1HE MET 12 2.704 2.091 5.909 124 2HE MET 12 2HE MET 12 1.192 2.837 5.400 125 3HE MET 12 3HE MET 12 2.532 2.716 4.262 126 H LYS 13 H LYS 13 3.410 -2.444 2.558 127 HA LYS 13 HA LYS 13 3.733 -4.396 4.689 128 1HB LYS 13 2HB LYS 13 2.636 -4.839 1.922 129 2HB LYS 13 1HB LYS 13 2.142 -5.626 3.416 130 1HG LYS 13 2HG LYS 13 1.477 -2.880 2.404 131 2HG LYS 13 1HG LYS 13 0.419 -4.121 3.034 132 1HD LYS 13 2HD LYS 13 2.435 -2.853 4.862 133 2HD LYS 13 1HD LYS 13 0.931 -2.008 4.487 134 1HE LYS 13 2HE LYS 13 0.204 -3.235 6.314 135 2HE LYS 13 1HE LYS 13 -0.077 -4.454 5.056 136 1HZ LYS 13 1HZ LYS 13 2.002 -5.447 5.467 137 2HZ LYS 13 2HZ LYS 13 1.330 -5.189 7.006 138 3HZ LYS 13 3HZ LYS 13 2.537 -4.149 6.418 139 H PHE 14 H PHE 14 5.395 -3.447 1.909 140 HA PHE 14 HA PHE 14 6.608 -5.952 1.102 141 1HB PHE 14 2HB PHE 14 6.255 -3.319 0.185 142 2HB PHE 14 1HB PHE 14 7.990 -3.457 0.455 143 HD1 PHE 14 1HD PHE 14 5.098 -5.050 -1.264 144 HD2 PHE 14 2HD PHE 14 9.374 -4.746 -0.995 145 HE1 PHE 14 1HE PHE 14 5.322 -6.368 -3.353 146 HE2 PHE 14 2HE PHE 14 9.598 -6.064 -3.085 147 HZ PHE 14 HZ PHE 14 7.572 -6.873 -4.263 148 H LYS 15 H LYS 15 7.073 -3.646 3.614 149 HA LYS 15 HA LYS 15 9.615 -4.996 4.386 150 1HB LYS 15 2HB LYS 15 10.408 -2.641 5.029 151 2HB LYS 15 1HB LYS 15 10.348 -2.993 3.304 152 1HG LYS 15 2HG LYS 15 7.786 -2.038 3.931 153 2HG LYS 15 1HG LYS 15 8.885 -1.004 4.838 154 1HD LYS 15 2HD LYS 15 9.055 -1.605 1.874 155 2HD LYS 15 1HD LYS 15 8.508 -0.089 2.593 156 1HE LYS 15 2HE LYS 15 10.682 0.420 3.443 157 2HE LYS 15 1HE LYS 15 11.265 -1.229 3.141 158 1HZ LYS 15 1HZ LYS 15 11.047 -0.928 0.815 159 2HZ LYS 15 2HZ LYS 15 11.878 0.438 1.391 160 3HZ LYS 15 3HZ LYS 15 10.229 0.546 1.002 161 H LYS 16 H LYS 16 6.553 -4.392 5.187 162 HA LYS 16 HA LYS 16 6.467 -3.218 7.696 163 1HB LYS 16 2HB LYS 16 4.359 -4.510 7.880 164 2HB LYS 16 1HB LYS 16 4.572 -3.783 6.285 165 1HG LYS 16 2HG LYS 16 3.842 -6.049 5.933 166 2HG LYS 16 1HG LYS 16 5.553 -5.980 5.511 167 1HD LYS 16 2HD LYS 16 6.147 -7.352 7.192 168 2HD LYS 16 1HD LYS 16 5.076 -6.551 8.342 169 1HE LYS 16 2HE LYS 16 3.257 -7.799 6.699 170 2HE LYS 16 1HE LYS 16 4.592 -8.968 6.711 171 1HZ LYS 16 1HZ LYS 16 3.050 -9.222 8.619 172 2HZ LYS 16 2HZ LYS 16 3.492 -7.669 9.145 173 3HZ LYS 16 3HZ LYS 16 4.650 -8.910 9.086 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -4.222 7.584 1.615 2 2H ARG 1 2HT ARG 1 -5.020 9.044 1.277 3 3H ARG 1 3HT ARG 1 -4.985 7.805 0.119 4 HA ARG 1 HA ARG 1 -6.246 7.431 2.773 5 1HB ARG 1 2HB ARG 1 -8.362 8.056 1.620 6 2HB ARG 1 1HB ARG 1 -7.217 9.399 1.676 7 1HG ARG 1 2HG ARG 1 -6.461 8.773 -0.635 8 2HG ARG 1 1HG ARG 1 -7.747 7.567 -0.683 9 1HD ARG 1 2HD ARG 1 -8.175 10.547 -0.254 10 2HD ARG 1 1HD ARG 1 -8.482 9.671 -1.767 11 HE ARG 1 HE ARG 1 -9.920 9.116 0.801 12 1HH1 ARG 1 1HH1 ARG 1 -9.458 7.628 -2.107 13 2HH1 ARG 1 2HH1 ARG 1 -11.114 7.649 -2.613 14 1HH2 ARG 1 1HH2 ARG 1 -12.143 9.766 -0.067 15 2HH2 ARG 1 2HH2 ARG 1 -12.634 8.858 -1.456 16 H GLN 2 H GLN 2 -6.036 6.552 -0.679 17 HA GLN 2 HA GLN 2 -6.521 3.731 0.053 18 1HB GLN 2 2HB GLN 2 -8.162 5.525 -1.679 19 2HB GLN 2 1HB GLN 2 -8.095 3.788 -1.947 20 1HG GLN 2 2HG GLN 2 -8.600 3.577 0.576 21 2HG GLN 2 1HG GLN 2 -9.115 5.260 0.462 22 1HE2 GLN 2 1HE2 GLN 2 -10.382 5.318 -2.033 23 2HE2 GLN 2 2HE2 GLN 2 -11.713 4.265 -2.030 24 H ILE 3 H ILE 3 -6.290 5.766 -2.887 25 HA ILE 3 HA ILE 3 -5.204 4.071 -4.677 26 HB ILE 3 HB ILE 3 -3.709 6.129 -5.308 27 1HG1 ILE 3 2HG1 ILE 3 -5.699 7.698 -3.835 28 2HG1 ILE 3 1HG1 ILE 3 -4.494 6.937 -2.810 29 1HG2 ILE 3 1HG2 ILE 3 -6.730 6.300 -5.264 30 2HG2 ILE 3 2HG2 ILE 3 -5.800 5.357 -6.428 31 3HG2 ILE 3 3HG2 ILE 3 -5.650 7.114 -6.395 32 1HD1 ILE 3 1HD1 ILE 3 -2.856 7.850 -4.715 33 2HD1 ILE 3 2HD1 ILE 3 -3.321 8.841 -3.333 34 3HD1 ILE 3 3HD1 ILE 3 -4.140 9.046 -4.882 35 H LYS 4 H LYS 4 -3.318 5.748 -2.178 36 HA LYS 4 HA LYS 4 -0.846 4.409 -2.808 37 1HB LYS 4 2HB LYS 4 -1.979 6.071 -0.575 38 2HB LYS 4 1HB LYS 4 -0.451 5.235 -0.313 39 1HG LYS 4 2HG LYS 4 0.011 7.456 -1.159 40 2HG LYS 4 1HG LYS 4 0.410 6.278 -2.412 41 1HD LYS 4 2HD LYS 4 -1.518 6.753 -3.644 42 2HD LYS 4 1HD LYS 4 -2.311 7.511 -2.268 43 1HE LYS 4 2HE LYS 4 0.233 8.703 -3.365 44 2HE LYS 4 1HE LYS 4 -1.327 9.075 -4.124 45 1HZ LYS 4 1HZ LYS 4 -2.183 9.595 -1.875 46 2HZ LYS 4 2HZ LYS 4 -0.951 10.651 -2.378 47 3HZ LYS 4 3HZ LYS 4 -0.613 9.416 -1.261 48 H ILE 5 H ILE 5 -3.476 3.929 -0.534 49 HA ILE 5 HA ILE 5 -2.484 1.769 1.001 50 HB ILE 5 HB ILE 5 -5.278 2.227 -0.132 51 1HG1 ILE 5 2HG1 ILE 5 -4.882 4.282 0.866 52 2HG1 ILE 5 1HG1 ILE 5 -5.398 3.382 2.285 53 1HG2 ILE 5 1HG2 ILE 5 -4.863 0.057 1.070 54 2HG2 ILE 5 2HG2 ILE 5 -6.044 1.087 1.881 55 3HG2 ILE 5 3HG2 ILE 5 -4.394 0.980 2.497 56 1HD1 ILE 5 1HD1 ILE 5 -3.407 4.434 2.990 57 2HD1 ILE 5 2HD1 ILE 5 -2.608 4.155 1.445 58 3HD1 ILE 5 3HD1 ILE 5 -2.873 2.812 2.555 59 H PHE 6 H PHE 6 -3.653 1.996 -2.267 60 HA PHE 6 HA PHE 6 -3.887 -0.891 -2.732 61 1HB PHE 6 2HB PHE 6 -4.981 1.073 -4.000 62 2HB PHE 6 1HB PHE 6 -3.409 1.312 -4.764 63 HD1 PHE 6 1HD PHE 6 -6.099 -1.211 -4.203 64 HD2 PHE 6 2HD PHE 6 -2.706 -0.053 -6.567 65 HE1 PHE 6 1HE PHE 6 -6.604 -3.026 -5.814 66 HE2 PHE 6 2HE PHE 6 -3.211 -1.868 -8.180 67 HZ PHE 6 HZ PHE 6 -5.160 -3.355 -7.803 68 H PHE 7 H PHE 7 -1.431 1.600 -3.051 69 HA PHE 7 HA PHE 7 0.571 -0.284 -4.166 70 1HB PHE 7 2HB PHE 7 0.018 2.538 -4.170 71 2HB PHE 7 1HB PHE 7 1.599 2.296 -3.428 72 HD1 PHE 7 1HD PHE 7 2.784 0.064 -4.777 73 HD2 PHE 7 2HD PHE 7 0.271 3.143 -6.407 74 HE1 PHE 7 1HE PHE 7 3.776 -0.311 -7.018 75 HE2 PHE 7 2HE PHE 7 1.263 2.767 -8.647 76 HZ PHE 7 HZ PHE 7 3.017 1.040 -8.954 77 H GLN 8 H GLN 8 0.224 1.882 -1.327 78 HA GLN 8 HA GLN 8 2.431 1.180 0.201 79 1HB GLN 8 2HB GLN 8 -0.472 1.603 0.997 80 2HB GLN 8 1HB GLN 8 0.876 1.647 2.122 81 1HG GLN 8 2HG GLN 8 1.894 3.389 0.480 82 2HG GLN 8 1HG GLN 8 0.235 3.589 -0.089 83 1HE2 GLN 8 1HE2 GLN 8 -0.938 3.037 2.608 84 2HE2 GLN 8 2HE2 GLN 8 -0.617 4.416 3.544 85 H ASN 9 H ASN 9 -0.496 -0.668 -0.435 86 HA ASN 9 HA ASN 9 -0.199 -2.778 1.461 87 1HB ASN 9 2HB ASN 9 -2.192 -2.300 0.040 88 2HB ASN 9 1HB ASN 9 -1.272 -2.807 -1.380 89 1HD2 ASN 9 1HD2 ASN 9 -2.960 -4.554 -1.622 90 2HD2 ASN 9 2HD2 ASN 9 -2.834 -5.957 -0.677 91 H ARG 10 H ARG 10 1.763 -1.826 -1.132 92 HA ARG 10 HA ARG 10 3.116 -4.496 -1.223 93 1HB ARG 10 2HB ARG 10 2.813 -2.490 -3.462 94 2HB ARG 10 1HB ARG 10 3.426 -4.140 -3.586 95 1HG ARG 10 2HG ARG 10 0.627 -3.459 -2.653 96 2HG ARG 10 1HG ARG 10 1.040 -3.864 -4.307 97 1HD ARG 10 2HD ARG 10 1.579 -5.665 -1.925 98 2HD ARG 10 1HD ARG 10 0.249 -5.876 -3.066 99 HE ARG 10 HE ARG 10 2.780 -6.847 -3.562 100 1HH1 ARG 10 1HH2 ARG 10 0.254 -6.674 -5.401 101 2HH1 ARG 10 2HH2 ARG 10 0.986 -6.038 -6.837 102 1HH2 ARG 10 1HH1 ARG 10 3.928 -5.117 -5.249 103 2HH2 ARG 10 2HH1 ARG 10 3.065 -5.157 -6.751 104 H ARG 11 H ARG 11 3.402 -1.329 -0.257 105 HA ARG 11 HA ARG 11 6.310 -1.126 -0.929 106 1HB ARG 11 2HB ARG 11 4.625 1.121 0.131 107 2HB ARG 11 1HB ARG 11 5.951 1.186 -1.027 108 1HG ARG 11 2HG ARG 11 3.962 -0.378 -2.217 109 2HG ARG 11 1HG ARG 11 3.129 0.980 -1.500 110 1HD ARG 11 2HD ARG 11 5.520 1.184 -3.352 111 2HD ARG 11 1HD ARG 11 3.844 1.563 -3.777 112 HE ARG 11 HE ARG 11 5.183 2.953 -1.515 113 1HH1 ARG 11 1HH1 ARG 11 5.796 4.276 -4.069 114 2HH1 ARG 11 2HH1 ARG 11 4.477 5.380 -4.267 115 1HH2 ARG 11 1HH2 ARG 11 2.456 3.798 -1.935 116 2HH2 ARG 11 2HH2 ARG 11 2.584 5.109 -3.059 117 H MET 12 H MET 12 3.899 -0.382 1.535 118 HA MET 12 HA MET 12 5.977 -0.337 3.642 119 1HB MET 12 2HB MET 12 3.881 0.045 5.086 120 2HB MET 12 1HB MET 12 4.307 1.303 3.933 121 1HG MET 12 2HG MET 12 2.609 0.699 2.475 122 2HG MET 12 1HG MET 12 2.460 -0.913 3.169 123 1HE MET 12 1HE MET 12 2.156 2.727 3.486 124 2HE MET 12 2HE MET 12 2.561 2.662 5.199 125 3HE MET 12 3HE MET 12 0.923 3.079 4.704 126 H LYS 13 H LYS 13 3.349 -2.388 2.529 127 HA LYS 13 HA LYS 13 3.593 -4.337 4.674 128 1HB LYS 13 2HB LYS 13 2.534 -4.767 1.889 129 2HB LYS 13 1HB LYS 13 2.004 -5.545 3.377 130 1HG LYS 13 2HG LYS 13 1.431 -2.770 2.382 131 2HG LYS 13 1HG LYS 13 0.319 -3.993 2.955 132 1HD LYS 13 2HD LYS 13 2.313 -2.874 4.888 133 2HD LYS 13 1HD LYS 13 0.901 -1.907 4.458 134 1HE LYS 13 2HE LYS 13 -0.483 -3.224 5.690 135 2HE LYS 13 1HE LYS 13 0.232 -4.713 5.040 136 1HZ LYS 13 1HZ LYS 13 1.533 -2.957 7.054 137 2HZ LYS 13 2HZ LYS 13 2.116 -4.446 6.481 138 3HZ LYS 13 3HZ LYS 13 0.708 -4.391 7.429 139 H PHE 14 H PHE 14 5.375 -3.428 1.971 140 HA PHE 14 HA PHE 14 6.550 -5.971 1.200 141 1HB PHE 14 2HB PHE 14 6.250 -3.367 0.245 142 2HB PHE 14 1HB PHE 14 7.972 -3.480 0.594 143 HD1 PHE 14 1HD PHE 14 9.204 -3.982 -1.319 144 HD2 PHE 14 2HD PHE 14 5.407 -5.897 -0.712 145 HE1 PHE 14 1HE PHE 14 9.538 -5.299 -3.392 146 HE2 PHE 14 2HE PHE 14 5.742 -7.216 -2.785 147 HZ PHE 14 HZ PHE 14 7.808 -6.918 -4.125 148 H LYS 15 H LYS 15 6.978 -3.664 3.705 149 HA LYS 15 HA LYS 15 9.497 -5.021 4.546 150 1HB LYS 15 2HB LYS 15 10.253 -2.659 5.231 151 2HB LYS 15 1HB LYS 15 10.259 -3.009 3.506 152 1HG LYS 15 2HG LYS 15 7.668 -2.067 4.040 153 2HG LYS 15 1HG LYS 15 8.728 -1.027 4.984 154 1HD LYS 15 2HD LYS 15 9.020 -1.633 2.029 155 2HD LYS 15 1HD LYS 15 8.424 -0.121 2.719 156 1HE LYS 15 2HE LYS 15 10.693 -0.075 4.015 157 2HE LYS 15 1HE LYS 15 11.227 -1.234 2.781 158 1HZ LYS 15 1HZ LYS 15 9.844 1.309 2.131 159 2HZ LYS 15 2HZ LYS 15 10.635 0.255 1.058 160 3HZ LYS 15 3HZ LYS 15 11.534 1.167 2.175 161 H LYS 16 H LYS 16 6.404 -4.401 5.262 162 HA LYS 16 HA LYS 16 6.280 -3.270 7.795 163 1HB LYS 16 2HB LYS 16 4.128 -4.490 7.889 164 2HB LYS 16 1HB LYS 16 4.410 -3.751 6.309 165 1HG LYS 16 2HG LYS 16 3.615 -5.988 5.915 166 2HG LYS 16 1HG LYS 16 5.334 -5.967 5.531 167 1HD LYS 16 2HD LYS 16 5.844 -7.391 7.198 168 2HD LYS 16 1HD LYS 16 4.787 -6.565 8.343 169 1HE LYS 16 2HE LYS 16 2.908 -7.837 7.727 170 2HE LYS 16 1HE LYS 16 3.592 -8.254 6.143 171 1HZ LYS 16 1HZ LYS 16 4.541 -9.187 8.800 172 2HZ LYS 16 2HZ LYS 16 5.384 -9.443 7.346 173 3HZ LYS 16 3HZ LYS 16 3.850 -10.136 7.575 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -4.189 9.984 0.276 2 2H ARG 1 2HT ARG 1 -4.049 8.454 -0.453 3 3H ARG 1 3HT ARG 1 -3.344 8.743 1.064 4 HA ARG 1 HA ARG 1 -5.387 8.778 2.163 5 1HB ARG 1 2HB ARG 1 -7.457 8.711 0.514 6 2HB ARG 1 1HB ARG 1 -6.702 10.235 0.964 7 1HG ARG 1 2HG ARG 1 -5.675 10.498 -1.104 8 2HG ARG 1 1HG ARG 1 -5.659 8.767 -1.438 9 1HD ARG 1 2HD ARG 1 -7.339 9.905 -2.856 10 2HD ARG 1 1HD ARG 1 -8.148 8.828 -1.699 11 HE ARG 1 HE ARG 1 -8.708 10.780 -0.342 12 1HH1 ARG 1 1HH1 ARG 1 -6.291 12.379 -1.442 13 2HH1 ARG 1 2HH1 ARG 1 -7.118 13.621 -2.321 14 1HH2 ARG 1 1HH2 ARG 1 -10.168 11.971 -2.299 15 2HH2 ARG 1 2HH2 ARG 1 -9.314 13.390 -2.805 16 H GLN 2 H GLN 2 -6.357 7.177 -0.853 17 HA GLN 2 HA GLN 2 -6.017 4.563 0.532 18 1HB GLN 2 2HB GLN 2 -8.163 5.649 -1.286 19 2HB GLN 2 1HB GLN 2 -8.000 3.944 -0.882 20 1HG GLN 2 2HG GLN 2 -8.084 4.595 1.555 21 2HG GLN 2 1HG GLN 2 -8.503 6.226 1.032 22 1HE2 GLN 2 1HE2 GLN 2 -10.704 6.262 1.730 23 2HE2 GLN 2 2HE2 GLN 2 -11.886 5.207 1.122 24 H ILE 3 H ILE 3 -6.095 6.177 -2.654 25 HA ILE 3 HA ILE 3 -5.446 4.215 -4.404 26 HB ILE 3 HB ILE 3 -3.718 6.002 -5.274 27 1HG1 ILE 3 2HG1 ILE 3 -5.333 7.933 -3.783 28 2HG1 ILE 3 1HG1 ILE 3 -4.228 7.027 -2.766 29 1HG2 ILE 3 1HG2 ILE 3 -6.088 5.451 -6.073 30 2HG2 ILE 3 2HG2 ILE 3 -5.515 7.089 -6.390 31 3HG2 ILE 3 3HG2 ILE 3 -6.623 6.785 -5.052 32 1HD1 ILE 3 1HD1 ILE 3 -2.514 7.572 -4.711 33 2HD1 ILE 3 2HD1 ILE 3 -2.824 8.733 -3.419 34 3HD1 ILE 3 3HD1 ILE 3 -3.614 8.924 -4.986 35 H LYS 4 H LYS 4 -3.276 5.659 -2.055 36 HA LYS 4 HA LYS 4 -0.921 4.168 -2.765 37 1HB LYS 4 2HB LYS 4 -1.727 5.355 -0.087 38 2HB LYS 4 1HB LYS 4 -0.085 5.084 -0.661 39 1HG LYS 4 2HG LYS 4 -2.077 7.135 -1.588 40 2HG LYS 4 1HG LYS 4 -0.421 7.376 -1.030 41 1HD LYS 4 2HD LYS 4 -1.230 5.975 -3.592 42 2HD LYS 4 1HD LYS 4 -0.571 7.586 -3.461 43 1HE LYS 4 2HE LYS 4 1.499 6.656 -2.422 44 2HE LYS 4 1HE LYS 4 0.851 5.028 -2.703 45 1HZ LYS 4 1HZ LYS 4 2.106 5.509 -4.609 46 2HZ LYS 4 2HZ LYS 4 1.523 7.102 -4.708 47 3HZ LYS 4 3HZ LYS 4 0.503 5.795 -5.079 48 H ILE 5 H ILE 5 -3.609 3.633 -0.569 49 HA ILE 5 HA ILE 5 -2.661 1.487 0.944 50 HB ILE 5 HB ILE 5 -5.322 2.232 -0.271 51 1HG1 ILE 5 2HG1 ILE 5 -5.720 3.284 1.743 52 2HG1 ILE 5 1HG1 ILE 5 -4.756 2.144 2.632 53 1HG2 ILE 5 1HG2 ILE 5 -5.634 -0.088 0.031 54 2HG2 ILE 5 2HG2 ILE 5 -6.226 0.604 1.540 55 3HG2 ILE 5 3HG2 ILE 5 -4.622 -0.126 1.474 56 1HD1 ILE 5 1HD1 ILE 5 -3.723 4.415 0.932 57 2HD1 ILE 5 2HD1 ILE 5 -2.690 3.183 1.656 58 3HD1 ILE 5 3HD1 ILE 5 -3.613 4.272 2.683 59 H PHE 6 H PHE 6 -3.723 1.749 -2.365 60 HA PHE 6 HA PHE 6 -3.819 -1.121 -2.944 61 1HB PHE 6 2HB PHE 6 -4.468 1.331 -4.186 62 2HB PHE 6 1HB PHE 6 -3.212 0.625 -5.202 63 HD1 PHE 6 1HD PHE 6 -3.881 -0.852 -6.869 64 HD2 PHE 6 2HD PHE 6 -6.288 -0.456 -3.334 65 HE1 PHE 6 1HE PHE 6 -5.535 -2.436 -7.819 66 HE2 PHE 6 2HE PHE 6 -7.944 -2.041 -4.285 67 HZ PHE 6 HZ PHE 6 -7.566 -3.031 -6.526 68 H PHE 7 H PHE 7 -1.431 1.467 -3.190 69 HA PHE 7 HA PHE 7 0.668 -0.354 -4.236 70 1HB PHE 7 2HB PHE 7 0.045 2.482 -4.142 71 2HB PHE 7 1HB PHE 7 1.656 2.208 -3.479 72 HD1 PHE 7 1HD PHE 7 -0.171 0.327 -6.154 73 HD2 PHE 7 2HD PHE 7 3.146 2.878 -5.183 74 HE1 PHE 7 1HE PHE 7 0.722 0.040 -8.449 75 HE2 PHE 7 2HE PHE 7 4.039 2.589 -7.477 76 HZ PHE 7 HZ PHE 7 2.826 1.171 -9.111 77 H GLN 8 H GLN 8 0.187 1.780 -1.401 78 HA GLN 8 HA GLN 8 2.346 1.122 0.201 79 1HB GLN 8 2HB GLN 8 -0.599 1.422 0.887 80 2HB GLN 8 1HB GLN 8 0.702 1.513 2.066 81 1HG GLN 8 2HG GLN 8 1.731 3.322 0.580 82 2HG GLN 8 1HG GLN 8 0.165 3.400 -0.234 83 1HE2 GLN 8 1HE2 GLN 8 1.257 5.596 1.329 84 2HE2 GLN 8 2HE2 GLN 8 0.241 5.827 2.670 85 H ASN 9 H ASN 9 -0.522 -0.797 -0.510 86 HA ASN 9 HA ASN 9 -0.171 -2.949 1.336 87 1HB ASN 9 2HB ASN 9 -2.164 -2.470 -0.104 88 2HB ASN 9 1HB ASN 9 -1.220 -2.964 -1.512 89 1HD2 ASN 9 1HD2 ASN 9 -2.800 -4.762 -1.829 90 2HD2 ASN 9 2HD2 ASN 9 -2.699 -6.152 -0.861 91 H ARG 10 H ARG 10 1.752 -1.877 -1.237 92 HA ARG 10 HA ARG 10 3.184 -4.482 -1.391 93 1HB ARG 10 2HB ARG 10 3.365 -2.686 -3.719 94 2HB ARG 10 1HB ARG 10 3.059 -4.423 -3.670 95 1HG ARG 10 2HG ARG 10 0.711 -3.669 -2.736 96 2HG ARG 10 1HG ARG 10 1.135 -2.148 -3.484 97 1HD ARG 10 2HD ARG 10 -0.136 -3.597 -5.062 98 2HD ARG 10 1HD ARG 10 1.504 -3.303 -5.649 99 HE ARG 10 HE ARG 10 1.505 -5.672 -5.629 100 1HH1 ARG 10 1HH2 ARG 10 -0.981 -5.495 -3.663 101 2HH1 ARG 10 2HH2 ARG 10 -0.383 -6.502 -2.386 102 1HH2 ARG 10 1HH1 ARG 10 2.883 -6.493 -3.553 103 2HH2 ARG 10 2HH1 ARG 10 1.806 -7.067 -2.325 104 H ARG 11 H ARG 11 3.391 -1.366 -0.309 105 HA ARG 11 HA ARG 11 6.306 -1.103 -0.931 106 1HB ARG 11 2HB ARG 11 4.602 1.145 0.079 107 2HB ARG 11 1HB ARG 11 5.929 1.194 -1.077 108 1HG ARG 11 2HG ARG 11 3.948 -0.368 -2.272 109 2HG ARG 11 1HG ARG 11 3.102 0.978 -1.543 110 1HD ARG 11 2HD ARG 11 5.458 1.180 -3.444 111 2HD ARG 11 1HD ARG 11 3.782 1.624 -3.794 112 HE ARG 11 HE ARG 11 5.180 2.920 -1.523 113 1HH1 ARG 11 1HH2 ARG 11 5.405 3.585 -4.668 114 2HH1 ARG 11 2HH2 ARG 11 4.499 5.061 -4.668 115 1HH2 ARG 11 1HH1 ARG 11 3.246 4.601 -1.468 116 2HH2 ARG 11 2HH1 ARG 11 3.279 5.636 -2.855 117 H MET 12 H MET 12 3.809 -0.379 1.463 118 HA MET 12 HA MET 12 5.832 -0.249 3.615 119 1HB MET 12 2HB MET 12 3.696 0.037 5.020 120 2HB MET 12 1HB MET 12 4.084 1.316 3.875 121 1HG MET 12 2HG MET 12 2.434 0.650 2.400 122 2HG MET 12 1HG MET 12 2.368 -0.979 3.060 123 1HE MET 12 1HE MET 12 1.790 2.717 3.614 124 2HE MET 12 2HE MET 12 2.507 2.361 5.183 125 3HE MET 12 3HE MET 12 0.814 2.840 5.084 126 H LYS 13 H LYS 13 3.319 -2.431 2.470 127 HA LYS 13 HA LYS 13 3.594 -4.336 4.647 128 1HB LYS 13 2HB LYS 13 2.674 -4.859 1.827 129 2HB LYS 13 1HB LYS 13 2.137 -5.656 3.301 130 1HG LYS 13 2HG LYS 13 1.443 -2.921 2.270 131 2HG LYS 13 1HG LYS 13 0.380 -4.206 2.799 132 1HD LYS 13 2HD LYS 13 2.233 -2.930 4.786 133 2HD LYS 13 1HD LYS 13 0.737 -2.114 4.330 134 1HE LYS 13 2HE LYS 13 -0.528 -3.567 5.537 135 2HE LYS 13 1HE LYS 13 0.348 -4.974 4.900 136 1HZ LYS 13 1HZ LYS 13 1.386 -3.103 6.964 137 2HZ LYS 13 2HZ LYS 13 2.188 -4.477 6.365 138 3HZ LYS 13 3HZ LYS 13 0.766 -4.649 7.281 139 H PHE 14 H PHE 14 5.423 -3.396 1.971 140 HA PHE 14 HA PHE 14 6.746 -5.869 1.269 141 1HB PHE 14 2HB PHE 14 6.379 -3.370 0.233 142 2HB PHE 14 1HB PHE 14 8.000 -3.196 0.891 143 HD1 PHE 14 1HD PHE 14 7.569 -2.989 -2.016 144 HD2 PHE 14 2HD PHE 14 8.278 -6.470 0.406 145 HE1 PHE 14 1HE PHE 14 8.514 -4.167 -3.978 146 HE2 PHE 14 2HE PHE 14 9.220 -7.644 -1.559 147 HZ PHE 14 HZ PHE 14 9.339 -6.493 -3.752 148 H LYS 15 H LYS 15 6.970 -3.551 3.786 149 HA LYS 15 HA LYS 15 9.485 -4.819 4.775 150 1HB LYS 15 2HB LYS 15 10.062 -2.402 5.528 151 2HB LYS 15 1HB LYS 15 10.264 -2.789 3.824 152 1HG LYS 15 2HG LYS 15 7.586 -1.944 4.090 153 2HG LYS 15 1HG LYS 15 8.529 -0.830 5.071 154 1HD LYS 15 2HD LYS 15 9.116 -1.544 2.185 155 2HD LYS 15 1HD LYS 15 8.361 -0.047 2.733 156 1HE LYS 15 2HE LYS 15 10.589 -0.053 4.302 157 2HE LYS 15 1HE LYS 15 11.210 -0.860 2.849 158 1HZ LYS 15 1HZ LYS 15 11.280 1.619 2.747 159 2HZ LYS 15 2HZ LYS 15 9.582 1.621 2.782 160 3HZ LYS 15 3HZ LYS 15 10.407 0.896 1.486 161 H LYS 16 H LYS 16 6.590 -2.981 5.387 162 HA LYS 16 HA LYS 16 5.792 -2.288 7.604 163 1HB LYS 16 2HB LYS 16 4.210 -4.274 7.857 164 2HB LYS 16 1HB LYS 16 4.259 -3.452 6.304 165 1HG LYS 16 2HG LYS 16 4.270 -5.908 6.020 166 2HG LYS 16 1HG LYS 16 5.744 -5.170 5.399 167 1HD LYS 16 2HD LYS 16 7.055 -6.126 6.991 168 2HD LYS 16 1HD LYS 16 5.819 -5.968 8.235 169 1HE LYS 16 2HE LYS 16 4.577 -7.877 7.268 170 2HE LYS 16 1HE LYS 16 5.823 -8.042 6.014 171 1HZ LYS 16 1HZ LYS 16 6.383 -9.502 7.807 172 2HZ LYS 16 2HZ LYS 16 6.203 -8.262 8.954 173 3HZ LYS 16 3HZ LYS 16 7.480 -8.208 7.834 Start of MODEL 11 1 1H ARG 1 1HT ARG 1 -5.136 7.416 0.084 2 2H ARG 1 2HT ARG 1 -4.857 7.773 1.718 3 3H ARG 1 3HT ARG 1 -5.632 8.907 0.720 4 HA ARG 1 HA ARG 1 -6.943 7.244 2.354 5 1HB ARG 1 2HB ARG 1 -8.884 7.841 0.895 6 2HB ARG 1 1HB ARG 1 -7.812 9.213 1.194 7 1HG ARG 1 2HG ARG 1 -6.668 8.708 -0.987 8 2HG ARG 1 1HG ARG 1 -7.897 7.480 -1.294 9 1HD ARG 1 2HD ARG 1 -8.559 10.390 -0.729 10 2HD ARG 1 1HD ARG 1 -8.428 9.704 -2.361 11 HE ARG 1 HE ARG 1 -10.107 7.960 -0.935 12 1HH1 ARG 1 1HH2 ARG 1 -10.652 9.875 -3.370 13 2HH1 ARG 1 2HH2 ARG 1 -12.094 10.651 -2.803 14 1HH2 ARG 1 1HH1 ARG 1 -11.710 9.558 0.467 15 2HH2 ARG 1 2HH1 ARG 1 -12.693 10.469 -0.629 16 H GLN 2 H GLN 2 -6.222 6.462 -1.052 17 HA GLN 2 HA GLN 2 -6.748 3.615 -0.461 18 1HB GLN 2 2HB GLN 2 -8.136 5.413 -2.405 19 2HB GLN 2 1HB GLN 2 -8.014 3.678 -2.659 20 1HG GLN 2 2HG GLN 2 -8.906 3.433 -0.264 21 2HG GLN 2 1HG GLN 2 -9.379 5.126 -0.405 22 1HE2 GLN 2 1HE2 GLN 2 -11.159 2.702 -0.244 23 2HE2 GLN 2 2HE2 GLN 2 -12.113 2.750 -1.646 24 H ILE 3 H ILE 3 -6.075 5.769 -3.248 25 HA ILE 3 HA ILE 3 -4.702 4.171 -4.926 26 HB ILE 3 HB ILE 3 -3.121 6.248 -5.173 27 1HG1 ILE 3 2HG1 ILE 3 -5.309 7.775 -3.977 28 2HG1 ILE 3 1HG1 ILE 3 -4.346 6.911 -2.794 29 1HG2 ILE 3 1HG2 ILE 3 -4.664 5.973 -6.878 30 2HG2 ILE 3 2HG2 ILE 3 -5.258 7.463 -6.147 31 3HG2 ILE 3 3HG2 ILE 3 -6.033 5.925 -5.769 32 1HD1 ILE 3 1HD1 ILE 3 -3.662 9.355 -3.795 33 2HD1 ILE 3 2HD1 ILE 3 -2.779 8.286 -4.885 34 3HD1 ILE 3 3HD1 ILE 3 -2.503 8.196 -3.146 35 H LYS 4 H LYS 4 -3.302 5.676 -2.057 36 HA LYS 4 HA LYS 4 -0.730 4.378 -2.309 37 1HB LYS 4 2HB LYS 4 -2.117 5.512 0.149 38 2HB LYS 4 1HB LYS 4 -0.381 5.331 -0.080 39 1HG LYS 4 2HG LYS 4 -2.253 7.294 -1.363 40 2HG LYS 4 1HG LYS 4 -0.716 7.593 -0.552 41 1HD LYS 4 2HD LYS 4 -1.057 6.170 -3.205 42 2HD LYS 4 1HD LYS 4 -0.495 7.805 -2.981 43 1HE LYS 4 2HE LYS 4 1.010 5.890 -1.356 44 2HE LYS 4 1HE LYS 4 1.164 5.608 -3.101 45 1HZ LYS 4 1HZ LYS 4 1.499 8.231 -1.741 46 2HZ LYS 4 2HZ LYS 4 1.643 7.952 -3.412 47 3HZ LYS 4 3HZ LYS 4 2.763 7.267 -2.334 48 H ILE 5 H ILE 5 -3.689 3.808 -0.522 49 HA ILE 5 HA ILE 5 -2.925 1.592 1.047 50 HB ILE 5 HB ILE 5 -5.520 2.082 -0.472 51 1HG1 ILE 5 2HG1 ILE 5 -5.325 4.105 0.623 52 2HG1 ILE 5 1HG1 ILE 5 -5.985 3.165 1.950 53 1HG2 ILE 5 1HG2 ILE 5 -5.876 0.047 0.573 54 2HG2 ILE 5 2HG2 ILE 5 -6.303 1.122 1.905 55 3HG2 ILE 5 3HG2 ILE 5 -4.707 0.374 1.851 56 1HD1 ILE 5 1HD1 ILE 5 -3.151 4.065 1.477 57 2HD1 ILE 5 2HD1 ILE 5 -3.464 2.646 2.476 58 3HD1 ILE 5 3HD1 ILE 5 -4.127 4.212 2.937 59 H PHE 6 H PHE 6 -3.564 1.951 -2.347 60 HA PHE 6 HA PHE 6 -3.657 -0.941 -2.905 61 1HB PHE 6 2HB PHE 6 -4.295 1.475 -4.211 62 2HB PHE 6 1HB PHE 6 -2.941 0.820 -5.130 63 HD1 PHE 6 1HD PHE 6 -6.108 -0.373 -3.500 64 HD2 PHE 6 2HD PHE 6 -3.421 -0.690 -6.835 65 HE1 PHE 6 1HE PHE 6 -7.626 -2.019 -4.567 66 HE2 PHE 6 2HE PHE 6 -4.938 -2.337 -7.901 67 HZ PHE 6 HZ PHE 6 -7.041 -3.000 -6.767 68 H PHE 7 H PHE 7 -1.289 1.674 -2.913 69 HA PHE 7 HA PHE 7 0.886 -0.112 -3.854 70 1HB PHE 7 2HB PHE 7 0.257 2.673 -3.896 71 2HB PHE 7 1HB PHE 7 1.706 2.496 -2.906 72 HD1 PHE 7 1HD PHE 7 3.719 2.672 -4.051 73 HD2 PHE 7 2HD PHE 7 0.321 0.971 -6.054 74 HE1 PHE 7 1HE PHE 7 5.083 2.356 -6.098 75 HE2 PHE 7 2HE PHE 7 1.686 0.654 -8.100 76 HZ PHE 7 HZ PHE 7 4.067 1.347 -8.123 77 H GLN 8 H GLN 8 0.111 1.923 -1.024 78 HA GLN 8 HA GLN 8 2.120 1.277 0.775 79 1HB GLN 8 2HB GLN 8 -0.863 1.592 1.159 80 2HB GLN 8 1HB GLN 8 0.307 1.635 2.471 81 1HG GLN 8 2HG GLN 8 1.524 3.406 1.009 82 2HG GLN 8 1HG GLN 8 -0.048 3.613 0.233 83 1HE2 GLN 8 1HE2 GLN 8 1.801 4.297 3.114 84 2HE2 GLN 8 2HE2 GLN 8 0.569 5.104 3.959 85 H ASN 9 H ASN 9 -0.602 -0.665 -0.286 86 HA ASN 9 HA ASN 9 -0.297 -2.769 1.666 87 1HB ASN 9 2HB ASN 9 -2.310 -2.210 0.221 88 2HB ASN 9 1HB ASN 9 -1.410 -2.865 -1.149 89 1HD2 ASN 9 1HD2 ASN 9 -3.440 -3.713 1.507 90 2HD2 ASN 9 2HD2 ASN 9 -3.267 -5.397 1.389 91 H ARG 10 H ARG 10 1.615 -1.772 -0.934 92 HA ARG 10 HA ARG 10 2.937 -4.442 -1.120 93 1HB ARG 10 2HB ARG 10 2.582 -2.486 -3.382 94 2HB ARG 10 1HB ARG 10 3.071 -4.176 -3.481 95 1HG ARG 10 2HG ARG 10 0.377 -3.306 -2.419 96 2HG ARG 10 1HG ARG 10 0.675 -3.697 -4.098 97 1HD ARG 10 2HD ARG 10 1.349 -5.969 -3.523 98 2HD ARG 10 1HD ARG 10 1.225 -5.595 -1.801 99 HE ARG 10 HE ARG 10 -0.993 -6.324 -2.216 100 1HH1 ARG 10 1HH2 ARG 10 -0.395 -5.756 -5.291 101 2HH1 ARG 10 2HH2 ARG 10 -1.758 -4.749 -5.641 102 1HH2 ARG 10 1HH1 ARG 10 -2.581 -4.249 -2.310 103 2HH2 ARG 10 2HH1 ARG 10 -2.997 -3.896 -3.954 104 H ARG 11 H ARG 11 3.332 -1.219 -0.241 105 HA ARG 11 HA ARG 11 6.180 -1.195 -1.148 106 1HB ARG 11 2HB ARG 11 5.920 1.252 -1.058 107 2HB ARG 11 1HB ARG 11 4.652 0.548 -2.049 108 1HG ARG 11 2HG ARG 11 3.033 1.031 -0.554 109 2HG ARG 11 1HG ARG 11 4.102 0.988 0.831 110 1HD ARG 11 2HD ARG 11 4.284 3.117 -1.298 111 2HD ARG 11 1HD ARG 11 3.313 3.307 0.172 112 HE ARG 11 HE ARG 11 6.166 2.533 0.400 113 1HH1 ARG 11 1HH2 ARG 11 3.885 3.480 2.432 114 2HH1 ARG 11 2HH2 ARG 11 4.590 4.983 2.925 115 1HH2 ARG 11 1HH1 ARG 11 6.958 5.010 0.392 116 2HH2 ARG 11 2HH1 ARG 11 6.330 5.848 1.771 117 H MET 12 H MET 12 3.982 -0.638 1.516 118 HA MET 12 HA MET 12 6.299 -0.393 3.378 119 1HB MET 12 2HB MET 12 4.261 0.134 4.965 120 2HB MET 12 1HB MET 12 4.831 1.358 3.834 121 1HG MET 12 2HG MET 12 3.024 1.115 2.466 122 2HG MET 12 1HG MET 12 2.814 -0.569 2.882 123 1HE MET 12 1HE MET 12 1.664 3.159 5.165 124 2HE MET 12 2HE MET 12 3.070 2.838 4.153 125 3HE MET 12 3HE MET 12 3.076 2.336 5.841 126 H LYS 13 H LYS 13 3.448 -2.309 2.584 127 HA LYS 13 HA LYS 13 3.728 -4.196 4.774 128 1HB LYS 13 2HB LYS 13 2.523 -4.678 2.056 129 2HB LYS 13 1HB LYS 13 2.044 -5.399 3.587 130 1HG LYS 13 2HG LYS 13 1.478 -2.652 2.528 131 2HG LYS 13 1HG LYS 13 0.379 -3.827 3.203 132 1HD LYS 13 2HD LYS 13 2.495 -2.639 4.966 133 2HD LYS 13 1HD LYS 13 1.034 -1.714 4.603 134 1HE LYS 13 2HE LYS 13 -0.271 -3.061 5.906 135 2HE LYS 13 1HE LYS 13 0.544 -4.538 5.354 136 1HZ LYS 13 1HZ LYS 13 1.063 -4.046 7.682 137 2HZ LYS 13 2HZ LYS 13 1.698 -2.537 7.227 138 3HZ LYS 13 3HZ LYS 13 2.450 -3.969 6.708 139 H PHE 14 H PHE 14 5.292 -3.478 1.863 140 HA PHE 14 HA PHE 14 6.342 -6.058 1.111 141 1HB PHE 14 2HB PHE 14 6.097 -3.444 0.128 142 2HB PHE 14 1HB PHE 14 7.831 -3.650 0.350 143 HD1 PHE 14 1HD PHE 14 8.982 -4.440 -1.510 144 HD2 PHE 14 2HD PHE 14 4.951 -5.757 -0.832 145 HE1 PHE 14 1HE PHE 14 9.085 -5.815 -3.571 146 HE2 PHE 14 2HE PHE 14 5.054 -7.132 -2.894 147 HZ PHE 14 HZ PHE 14 7.121 -7.161 -4.263 148 H LYS 15 H LYS 15 7.059 -3.692 3.519 149 HA LYS 15 HA LYS 15 9.520 -5.200 4.253 150 1HB LYS 15 2HB LYS 15 10.542 -2.905 4.732 151 2HB LYS 15 1HB LYS 15 10.341 -3.308 3.029 152 1HG LYS 15 2HG LYS 15 7.911 -2.121 3.768 153 2HG LYS 15 1HG LYS 15 9.142 -1.154 4.573 154 1HD LYS 15 2HD LYS 15 9.048 -1.843 1.625 155 2HD LYS 15 1HD LYS 15 8.738 -0.260 2.340 156 1HE LYS 15 2HE LYS 15 11.174 -0.658 3.383 157 2HE LYS 15 1HE LYS 15 11.345 -1.664 1.931 158 1HZ LYS 15 1HZ LYS 15 10.382 0.224 0.655 159 2HZ LYS 15 2HZ LYS 15 11.904 0.561 1.332 160 3HZ LYS 15 3HZ LYS 15 10.495 1.179 2.053 161 H LYS 16 H LYS 16 6.558 -4.368 5.152 162 HA LYS 16 HA LYS 16 6.667 -3.056 7.598 163 1HB LYS 16 2HB LYS 16 4.479 -4.171 7.931 164 2HB LYS 16 1HB LYS 16 4.674 -3.543 6.292 165 1HG LYS 16 2HG LYS 16 3.767 -5.758 6.082 166 2HG LYS 16 1HG LYS 16 5.462 -5.849 5.607 167 1HD LYS 16 2HD LYS 16 6.002 -7.178 7.339 168 2HD LYS 16 1HD LYS 16 5.044 -6.231 8.478 169 1HE LYS 16 2HE LYS 16 3.312 -7.649 6.611 170 2HE LYS 16 1HE LYS 16 4.380 -8.774 7.473 171 1HZ LYS 16 1HZ LYS 16 2.725 -6.639 8.715 172 2HZ LYS 16 2HZ LYS 16 3.798 -7.657 9.550 173 3HZ LYS 16 3HZ LYS 16 2.420 -8.306 8.798 Start of MODEL 12 1 1H ARG 1 1HT ARG 1 -6.532 6.982 3.780 2 2H ARG 1 2HT ARG 1 -5.435 8.196 3.323 3 3H ARG 1 3HT ARG 1 -5.065 6.561 3.042 4 HA ARG 1 HA ARG 1 -7.435 7.843 1.809 5 1HB ARG 1 2HB ARG 1 -5.933 8.304 -0.118 6 2HB ARG 1 1HB ARG 1 -5.409 9.166 1.330 7 1HG ARG 1 2HG ARG 1 -3.750 7.400 1.789 8 2HG ARG 1 1HG ARG 1 -4.268 6.533 0.343 9 1HD ARG 1 2HD ARG 1 -2.207 7.963 -0.011 10 2HD ARG 1 1HD ARG 1 -3.556 8.396 -1.080 11 HE ARG 1 HE ARG 1 -3.209 9.825 1.520 12 1HH1 ARG 1 1HH1 ARG 1 -1.419 11.002 -0.487 13 2HH1 ARG 1 2HH1 ARG 1 -2.427 12.163 -1.286 14 1HH2 ARG 1 1HH2 ARG 1 -5.390 10.787 -0.123 15 2HH2 ARG 1 2HH2 ARG 1 -4.675 12.041 -1.081 16 H GLN 2 H GLN 2 -6.211 6.508 -0.701 17 HA GLN 2 HA GLN 2 -6.556 3.651 0.004 18 1HB GLN 2 2HB GLN 2 -8.262 5.398 -1.705 19 2HB GLN 2 1HB GLN 2 -8.085 3.684 -2.055 20 1HG GLN 2 2HG GLN 2 -8.698 3.216 0.352 21 2HG GLN 2 1HG GLN 2 -9.114 4.923 0.497 22 1HE2 GLN 2 1HE2 GLN 2 -10.959 2.558 0.643 23 2HE2 GLN 2 2HE2 GLN 2 -12.109 2.803 -0.581 24 H ILE 3 H ILE 3 -6.370 5.711 -2.920 25 HA ILE 3 HA ILE 3 -5.227 4.098 -4.730 26 HB ILE 3 HB ILE 3 -3.748 6.193 -5.281 27 1HG1 ILE 3 2HG1 ILE 3 -5.785 7.685 -3.787 28 2HG1 ILE 3 1HG1 ILE 3 -4.575 6.917 -2.772 29 1HG2 ILE 3 1HG2 ILE 3 -5.755 7.238 -6.283 30 2HG2 ILE 3 2HG2 ILE 3 -6.774 6.199 -5.288 31 3HG2 ILE 3 3HG2 ILE 3 -5.737 5.491 -6.527 32 1HD1 ILE 3 1HD1 ILE 3 -4.248 9.100 -4.766 33 2HD1 ILE 3 2HD1 ILE 3 -2.943 7.920 -4.646 34 3HD1 ILE 3 3HD1 ILE 3 -3.426 8.849 -3.226 35 H LYS 4 H LYS 4 -3.334 5.747 -2.213 36 HA LYS 4 HA LYS 4 -0.881 4.407 -2.896 37 1HB LYS 4 2HB LYS 4 -1.964 6.132 -0.704 38 2HB LYS 4 1HB LYS 4 -0.469 5.254 -0.392 39 1HG LYS 4 2HG LYS 4 0.098 7.414 -1.305 40 2HG LYS 4 1HG LYS 4 0.442 6.187 -2.527 41 1HD LYS 4 2HD LYS 4 -1.542 6.678 -3.721 42 2HD LYS 4 1HD LYS 4 -2.177 7.635 -2.389 43 1HE LYS 4 2HE LYS 4 0.434 8.611 -3.312 44 2HE LYS 4 1HE LYS 4 -0.807 8.673 -4.576 45 1HZ LYS 4 1HZ LYS 4 -2.028 10.161 -3.435 46 2HZ LYS 4 2HZ LYS 4 -0.567 10.511 -2.645 47 3HZ LYS 4 3HZ LYS 4 -1.692 9.463 -1.925 48 H ILE 5 H ILE 5 -3.490 3.927 -0.610 49 HA ILE 5 HA ILE 5 -2.474 1.804 0.961 50 HB ILE 5 HB ILE 5 -5.269 2.202 -0.187 51 1HG1 ILE 5 2HG1 ILE 5 -4.894 4.284 0.764 52 2HG1 ILE 5 1HG1 ILE 5 -5.420 3.411 2.196 53 1HG2 ILE 5 1HG2 ILE 5 -4.687 1.227 2.590 54 2HG2 ILE 5 2HG2 ILE 5 -4.487 0.098 1.251 55 3HG2 ILE 5 3HG2 ILE 5 -6.053 0.859 1.537 56 1HD1 ILE 5 1HD1 ILE 5 -3.448 4.503 2.896 57 2HD1 ILE 5 2HD1 ILE 5 -2.624 4.184 1.371 58 3HD1 ILE 5 3HD1 ILE 5 -2.898 2.872 2.517 59 H PHE 6 H PHE 6 -3.646 1.971 -2.318 60 HA PHE 6 HA PHE 6 -3.836 -0.921 -2.752 61 1HB PHE 6 2HB PHE 6 -4.225 1.580 -4.180 62 2HB PHE 6 1HB PHE 6 -3.307 0.455 -5.179 63 HD1 PHE 6 1HD PHE 6 -4.261 -2.139 -4.731 64 HD2 PHE 6 2HD PHE 6 -6.509 1.520 -4.617 65 HE1 PHE 6 1HE PHE 6 -6.339 -3.400 -5.224 66 HE2 PHE 6 2HE PHE 6 -8.586 0.260 -5.109 67 HZ PHE 6 HZ PHE 6 -8.502 -2.200 -5.413 68 H PHE 7 H PHE 7 -1.391 1.582 -3.067 69 HA PHE 7 HA PHE 7 0.654 -0.301 -4.108 70 1HB PHE 7 2HB PHE 7 0.075 2.537 -4.115 71 2HB PHE 7 1HB PHE 7 1.676 2.277 -3.425 72 HD1 PHE 7 1HD PHE 7 3.219 2.827 -5.113 73 HD2 PHE 7 2HD PHE 7 -0.164 0.355 -6.066 74 HE1 PHE 7 1HE PHE 7 4.136 2.448 -7.385 75 HE2 PHE 7 2HE PHE 7 0.754 -0.023 -8.339 76 HZ PHE 7 HZ PHE 7 2.904 1.023 -8.998 77 H GLN 8 H GLN 8 0.251 1.923 -1.316 78 HA GLN 8 HA GLN 8 2.434 1.249 0.255 79 1HB GLN 8 2HB GLN 8 -0.481 1.650 1.021 80 2HB GLN 8 1HB GLN 8 0.863 1.739 2.149 81 1HG GLN 8 2HG GLN 8 1.856 3.457 0.462 82 2HG GLN 8 1HG GLN 8 0.189 3.628 -0.093 83 1HE2 GLN 8 1HE2 GLN 8 -0.953 3.115 2.627 84 2HE2 GLN 8 2HE2 GLN 8 -0.633 4.512 3.534 85 H ASN 9 H ASN 9 -0.496 -0.608 -0.362 86 HA ASN 9 HA ASN 9 -0.179 -2.712 1.542 87 1HB ASN 9 2HB ASN 9 -2.179 -2.222 0.114 88 2HB ASN 9 1HB ASN 9 -1.270 -2.787 -1.290 89 1HD2 ASN 9 1HD2 ASN 9 -2.114 -4.825 -1.792 90 2HD2 ASN 9 2HD2 ASN 9 -2.366 -6.070 -0.665 91 H ARG 10 H ARG 10 1.728 -1.780 -1.098 92 HA ARG 10 HA ARG 10 3.089 -4.429 -1.190 93 1HB ARG 10 2HB ARG 10 3.302 -2.692 -3.561 94 2HB ARG 10 1HB ARG 10 2.938 -4.415 -3.469 95 1HG ARG 10 2HG ARG 10 0.626 -3.587 -2.541 96 2HG ARG 10 1HG ARG 10 1.088 -2.074 -3.286 97 1HD ARG 10 2HD ARG 10 0.641 -2.867 -5.367 98 2HD ARG 10 1HD ARG 10 1.540 -4.351 -5.056 99 HE ARG 10 HE ARG 10 -0.906 -4.275 -3.612 100 1HH1 ARG 10 1HH2 ARG 10 0.539 -6.534 -5.193 101 2HH1 ARG 10 2HH2 ARG 10 -0.686 -6.905 -6.360 102 1HH2 ARG 10 1HH1 ARG 10 -2.526 -4.033 -5.736 103 2HH2 ARG 10 2HH1 ARG 10 -2.421 -5.489 -6.668 104 H ARG 11 H ARG 11 3.391 -1.277 -0.205 105 HA ARG 11 HA ARG 11 6.303 -1.099 -0.878 106 1HB ARG 11 2HB ARG 11 4.636 1.176 0.148 107 2HB ARG 11 1HB ARG 11 5.967 1.212 -1.006 108 1HG ARG 11 2HG ARG 11 3.950 -0.355 -2.164 109 2HG ARG 11 1HG ARG 11 3.154 1.049 -1.492 110 1HD ARG 11 2HD ARG 11 5.571 1.141 -3.321 111 2HD ARG 11 1HD ARG 11 3.908 1.509 -3.797 112 HE ARG 11 HE ARG 11 5.158 2.987 -1.550 113 1HH1 ARG 11 1HH1 ARG 11 5.844 3.887 -4.390 114 2HH1 ARG 11 2HH1 ARG 11 4.669 5.134 -4.634 115 1HH2 ARG 11 1HH2 ARG 11 2.689 4.159 -1.959 116 2HH2 ARG 11 2HH2 ARG 11 2.882 5.289 -3.257 117 H MET 12 H MET 12 3.866 -0.393 1.575 118 HA MET 12 HA MET 12 5.964 -0.308 3.667 119 1HB MET 12 2HB MET 12 3.886 0.121 5.118 120 2HB MET 12 1HB MET 12 4.329 1.366 3.959 121 1HG MET 12 2HG MET 12 2.624 0.765 2.498 122 2HG MET 12 1HG MET 12 2.432 -0.825 3.228 123 1HE MET 12 1HE MET 12 2.213 0.531 6.724 124 2HE MET 12 2HE MET 12 2.373 -0.913 5.729 125 3HE MET 12 3HE MET 12 0.806 -0.495 6.417 126 H LYS 13 H LYS 13 3.383 -2.381 2.534 127 HA LYS 13 HA LYS 13 3.644 -4.274 4.748 128 1HB LYS 13 2HB LYS 13 2.470 -4.792 2.036 129 2HB LYS 13 1HB LYS 13 1.961 -5.457 3.582 130 1HG LYS 13 2HG LYS 13 1.486 -2.701 2.472 131 2HG LYS 13 1HG LYS 13 0.321 -3.879 3.024 132 1HD LYS 13 2HD LYS 13 2.306 -2.745 4.965 133 2HD LYS 13 1HD LYS 13 0.858 -1.831 4.535 134 1HE LYS 13 2HE LYS 13 -0.474 -3.186 5.784 135 2HE LYS 13 1HE LYS 13 0.287 -4.653 5.137 136 1HZ LYS 13 1HZ LYS 13 2.113 -4.411 6.598 137 2HZ LYS 13 2HZ LYS 13 0.726 -4.206 7.557 138 3HZ LYS 13 3HZ LYS 13 1.635 -2.854 7.073 139 H PHE 14 H PHE 14 5.383 -3.407 2.033 140 HA PHE 14 HA PHE 14 6.380 -5.990 1.181 141 1HB PHE 14 2HB PHE 14 6.191 -3.385 0.243 142 2HB PHE 14 1HB PHE 14 7.913 -3.566 0.559 143 HD1 PHE 14 1HD PHE 14 9.157 -4.245 -1.288 144 HD2 PHE 14 2HD PHE 14 5.166 -5.749 -0.787 145 HE1 PHE 14 1HE PHE 14 9.401 -5.580 -3.364 146 HE2 PHE 14 2HE PHE 14 5.409 -7.086 -2.863 147 HZ PHE 14 HZ PHE 14 7.527 -7.001 -4.151 148 H LYS 15 H LYS 15 7.124 -3.676 3.643 149 HA LYS 15 HA LYS 15 9.557 -5.273 4.341 150 1HB LYS 15 2HB LYS 15 10.184 -2.721 5.141 151 2HB LYS 15 1HB LYS 15 10.698 -3.424 3.608 152 1HG LYS 15 2HG LYS 15 9.670 -1.306 3.109 153 2HG LYS 15 1HG LYS 15 8.526 -2.551 2.614 154 1HD LYS 15 2HD LYS 15 7.009 -1.701 3.972 155 2HD LYS 15 1HD LYS 15 8.049 -1.990 5.359 156 1HE LYS 15 2HE LYS 15 7.381 0.432 5.125 157 2HE LYS 15 1HE LYS 15 9.135 0.191 5.048 158 1HZ LYS 15 1HZ LYS 15 9.198 0.597 2.832 159 2HZ LYS 15 2HZ LYS 15 7.813 1.515 3.181 160 3HZ LYS 15 3HZ LYS 15 7.658 -0.049 2.542 161 H LYS 16 H LYS 16 6.566 -4.463 5.224 162 HA LYS 16 HA LYS 16 6.574 -3.383 7.765 163 1HB LYS 16 2HB LYS 16 4.413 -4.593 7.946 164 2HB LYS 16 1HB LYS 16 4.634 -3.822 6.372 165 1HG LYS 16 2HG LYS 16 3.795 -6.043 5.968 166 2HG LYS 16 1HG LYS 16 5.494 -6.025 5.499 167 1HD LYS 16 2HD LYS 16 6.077 -7.485 7.112 168 2HD LYS 16 1HD LYS 16 5.074 -6.683 8.322 169 1HE LYS 16 2HE LYS 16 3.433 -8.008 6.298 170 2HE LYS 16 1HE LYS 16 4.517 -9.150 7.117 171 1HZ LYS 16 1HZ LYS 16 2.551 -8.887 8.442 172 2HZ LYS 16 2HZ LYS 16 2.691 -7.194 8.410 173 3HZ LYS 16 3HZ LYS 16 3.836 -8.129 9.246 Start of MODEL 13 1 1H ARG 1 1HT ARG 1 -5.548 9.017 -1.269 2 2H ARG 1 2HT ARG 1 -4.057 8.637 -0.553 3 3H ARG 1 3HT ARG 1 -4.716 10.192 -0.374 4 HA ARG 1 HA ARG 1 -5.065 9.005 1.664 5 1HB ARG 1 2HB ARG 1 -7.480 9.324 1.744 6 2HB ARG 1 1HB ARG 1 -6.778 10.559 0.696 7 1HG ARG 1 2HG ARG 1 -7.383 9.247 -1.292 8 2HG ARG 1 1HG ARG 1 -8.035 7.969 -0.265 9 1HD ARG 1 2HD ARG 1 -9.050 10.821 -0.111 10 2HD ARG 1 1HD ARG 1 -9.762 9.613 -1.200 11 HE ARG 1 HE ARG 1 -9.455 8.957 1.694 12 1HH1 ARG 1 1HH1 ARG 1 -11.656 10.540 -0.235 13 2HH1 ARG 1 2HH1 ARG 1 -12.980 9.464 0.064 14 1HH2 ARG 1 1HH2 ARG 1 -11.041 7.110 1.711 15 2HH2 ARG 1 2HH2 ARG 1 -12.632 7.523 1.166 16 H GLN 2 H GLN 2 -6.190 7.216 -1.181 17 HA GLN 2 HA GLN 2 -6.042 4.716 0.416 18 1HB GLN 2 2HB GLN 2 -8.252 5.785 -1.322 19 2HB GLN 2 1HB GLN 2 -8.089 4.079 -0.932 20 1HG GLN 2 2HG GLN 2 -7.921 4.873 1.526 21 2HG GLN 2 1HG GLN 2 -8.640 6.367 0.926 22 1HE2 GLN 2 1HE2 GLN 2 -10.495 5.485 -0.932 23 2HE2 GLN 2 2HE2 GLN 2 -11.642 4.473 -0.195 24 H ILE 3 H ILE 3 -6.044 6.215 -2.825 25 HA ILE 3 HA ILE 3 -5.561 4.018 -4.408 26 HB ILE 3 HB ILE 3 -4.451 5.575 -5.902 27 1HG1 ILE 3 2HG1 ILE 3 -2.931 6.478 -4.138 28 2HG1 ILE 3 1HG1 ILE 3 -3.610 7.696 -5.183 29 1HG2 ILE 3 1HG2 ILE 3 -6.468 6.487 -6.243 30 2HG2 ILE 3 2HG2 ILE 3 -6.129 7.667 -4.977 31 3HG2 ILE 3 3HG2 ILE 3 -6.931 6.149 -4.575 32 1HD1 ILE 3 1HD1 ILE 3 -3.816 8.628 -3.032 33 2HD1 ILE 3 2HD1 ILE 3 -4.328 7.100 -2.325 34 3HD1 ILE 3 3HD1 ILE 3 -5.422 7.994 -3.377 35 H LYS 4 H LYS 4 -3.382 5.677 -2.208 36 HA LYS 4 HA LYS 4 -0.988 4.253 -2.852 37 1HB LYS 4 2HB LYS 4 -2.090 5.963 -0.668 38 2HB LYS 4 1HB LYS 4 -0.669 5.001 -0.279 39 1HG LYS 4 2HG LYS 4 0.123 7.103 -1.086 40 2HG LYS 4 1HG LYS 4 0.388 5.932 -2.381 41 1HD LYS 4 2HD LYS 4 -1.451 6.688 -3.602 42 2HD LYS 4 1HD LYS 4 -2.140 7.520 -2.216 43 1HE LYS 4 2HE LYS 4 -1.140 9.174 -3.747 44 2HE LYS 4 1HE LYS 4 -0.178 9.101 -2.256 45 1HZ LYS 4 1HZ LYS 4 1.378 7.668 -3.266 46 2HZ LYS 4 2HZ LYS 4 1.120 8.914 -4.391 47 3HZ LYS 4 3HZ LYS 4 0.389 7.397 -4.615 48 H ILE 5 H ILE 5 -3.669 3.713 -0.636 49 HA ILE 5 HA ILE 5 -2.707 1.624 0.955 50 HB ILE 5 HB ILE 5 -5.357 2.309 -0.315 51 1HG1 ILE 5 2HG1 ILE 5 -5.783 3.431 1.646 52 2HG1 ILE 5 1HG1 ILE 5 -4.852 2.312 2.596 53 1HG2 ILE 5 1HG2 ILE 5 -4.722 0.074 1.629 54 2HG2 ILE 5 2HG2 ILE 5 -5.516 -0.063 0.060 55 3HG2 ILE 5 3HG2 ILE 5 -6.348 0.721 1.403 56 1HD1 ILE 5 1HD1 ILE 5 -3.681 4.414 2.628 57 2HD1 ILE 5 2HD1 ILE 5 -3.771 4.542 0.877 58 3HD1 ILE 5 3HD1 ILE 5 -2.754 3.311 1.620 59 H PHE 6 H PHE 6 -3.724 1.757 -2.367 60 HA PHE 6 HA PHE 6 -3.786 -1.129 -2.859 61 1HB PHE 6 2HB PHE 6 -4.456 1.271 -4.181 62 2HB PHE 6 1HB PHE 6 -3.170 0.563 -5.159 63 HD1 PHE 6 1HD PHE 6 -3.417 -2.150 -5.350 64 HD2 PHE 6 2HD PHE 6 -6.621 0.649 -4.755 65 HE1 PHE 6 1HE PHE 6 -5.024 -3.794 -6.278 66 HE2 PHE 6 2HE PHE 6 -8.229 -0.995 -5.685 67 HZ PHE 6 HZ PHE 6 -7.430 -3.216 -6.446 68 H PHE 7 H PHE 7 -1.430 1.480 -3.147 69 HA PHE 7 HA PHE 7 0.704 -0.319 -4.137 70 1HB PHE 7 2HB PHE 7 0.052 2.491 -4.098 71 2HB PHE 7 1HB PHE 7 1.617 2.271 -3.316 72 HD1 PHE 7 1HD PHE 7 0.400 3.202 -6.297 73 HD2 PHE 7 2HD PHE 7 2.851 0.057 -4.700 74 HE1 PHE 7 1HE PHE 7 1.464 2.903 -8.516 75 HE2 PHE 7 2HE PHE 7 3.915 -0.242 -6.919 76 HZ PHE 7 HZ PHE 7 3.222 1.181 -8.828 77 H GLN 8 H GLN 8 0.145 1.781 -1.281 78 HA GLN 8 HA GLN 8 2.298 1.138 0.338 79 1HB GLN 8 2HB GLN 8 -0.658 1.379 0.996 80 2HB GLN 8 1HB GLN 8 0.624 1.456 2.193 81 1HG GLN 8 2HG GLN 8 1.645 3.294 0.686 82 2HG GLN 8 1HG GLN 8 0.032 3.414 -0.016 83 1HE2 GLN 8 1HE2 GLN 8 -1.218 2.676 2.679 84 2HE2 GLN 8 2HE2 GLN 8 -1.087 4.088 3.611 85 H ASN 9 H ASN 9 -0.532 -0.822 -0.420 86 HA ASN 9 HA ASN 9 -0.152 -2.990 1.396 87 1HB ASN 9 2HB ASN 9 -2.139 -2.514 -0.060 88 2HB ASN 9 1HB ASN 9 -1.180 -3.003 -1.459 89 1HD2 ASN 9 1HD2 ASN 9 -0.826 -5.266 -1.797 90 2HD2 ASN 9 2HD2 ASN 9 -1.527 -6.464 -0.819 91 H ARG 10 H ARG 10 1.766 -1.859 -1.156 92 HA ARG 10 HA ARG 10 3.253 -4.435 -1.328 93 1HB ARG 10 2HB ARG 10 3.429 -2.606 -3.629 94 2HB ARG 10 1HB ARG 10 3.141 -4.346 -3.605 95 1HG ARG 10 2HG ARG 10 0.776 -3.652 -2.695 96 2HG ARG 10 1HG ARG 10 1.183 -2.098 -3.384 97 1HD ARG 10 2HD ARG 10 1.245 -4.699 -4.922 98 2HD ARG 10 1HD ARG 10 -0.037 -3.493 -5.034 99 HE ARG 10 HE ARG 10 2.221 -2.067 -5.459 100 1HH1 ARG 10 1HH1 ARG 10 3.243 -4.779 -6.462 101 2HH1 ARG 10 2HH1 ARG 10 2.931 -4.630 -8.159 102 1HH2 ARG 10 1HH2 ARG 10 0.816 -1.906 -7.799 103 2HH2 ARG 10 2HH2 ARG 10 1.556 -3.003 -8.915 104 H ARG 11 H ARG 11 3.389 -1.320 -0.215 105 HA ARG 11 HA ARG 11 6.304 -0.984 -0.806 106 1HB ARG 11 2HB ARG 11 4.542 1.201 0.245 107 2HB ARG 11 1HB ARG 11 5.876 1.309 -0.899 108 1HG ARG 11 2HG ARG 11 3.952 -0.273 -2.147 109 2HG ARG 11 1HG ARG 11 3.058 1.024 -1.392 110 1HD ARG 11 2HD ARG 11 5.442 1.377 -3.235 111 2HD ARG 11 1HD ARG 11 3.753 1.722 -3.638 112 HE ARG 11 HE ARG 11 5.061 3.070 -1.335 113 1HH1 ARG 11 1HH2 ARG 11 2.278 3.803 -1.799 114 2HH1 ARG 11 2HH2 ARG 11 2.386 5.179 -2.845 115 1HH2 ARG 11 1HH1 ARG 11 5.670 4.551 -3.766 116 2HH2 ARG 11 2HH1 ARG 11 4.308 5.603 -3.959 117 H MET 12 H MET 12 3.771 -0.414 1.591 118 HA MET 12 HA MET 12 5.786 -0.301 3.753 119 1HB MET 12 2HB MET 12 3.631 -0.079 5.150 120 2HB MET 12 1HB MET 12 4.031 1.243 4.060 121 1HG MET 12 2HG MET 12 2.405 0.619 2.533 122 2HG MET 12 1HG MET 12 2.324 -1.028 3.152 123 1HE MET 12 1HE MET 12 0.570 2.790 4.947 124 2HE MET 12 2HE MET 12 1.689 2.605 3.599 125 3HE MET 12 3HE MET 12 2.273 2.426 5.252 126 H LYS 13 H LYS 13 3.377 -2.490 2.468 127 HA LYS 13 HA LYS 13 3.685 -4.442 4.616 128 1HB LYS 13 2HB LYS 13 2.649 -4.912 1.835 129 2HB LYS 13 1HB LYS 13 2.144 -5.702 3.324 130 1HG LYS 13 2HG LYS 13 1.480 -2.942 2.331 131 2HG LYS 13 1HG LYS 13 0.402 -4.220 2.845 132 1HD LYS 13 2HD LYS 13 2.293 -3.050 4.852 133 2HD LYS 13 1HD LYS 13 0.837 -2.155 4.409 134 1HE LYS 13 2HE LYS 13 -0.046 -3.445 6.122 135 2HE LYS 13 1HE LYS 13 -0.257 -4.602 4.791 136 1HZ LYS 13 1HZ LYS 13 0.970 -5.512 6.747 137 2HZ LYS 13 2HZ LYS 13 2.216 -4.404 6.422 138 3HZ LYS 13 3HZ LYS 13 1.825 -5.605 5.286 139 H PHE 14 H PHE 14 5.496 -3.365 2.033 140 HA PHE 14 HA PHE 14 6.711 -5.826 1.126 141 1HB PHE 14 2HB PHE 14 6.383 -3.320 0.191 142 2HB PHE 14 1HB PHE 14 7.993 -3.146 0.883 143 HD1 PHE 14 1HD PHE 14 8.279 -6.412 0.261 144 HD2 PHE 14 2HD PHE 14 7.646 -2.813 -2.006 145 HE1 PHE 14 1HE PHE 14 9.272 -7.491 -1.733 146 HE2 PHE 14 2HE PHE 14 8.638 -3.899 -3.998 147 HZ PHE 14 HZ PHE 14 9.452 -6.236 -3.864 148 H LYS 15 H LYS 15 7.163 -3.556 3.696 149 HA LYS 15 HA LYS 15 9.607 -5.055 4.559 150 1HB LYS 15 2HB LYS 15 10.066 -2.494 5.422 151 2HB LYS 15 1HB LYS 15 10.697 -3.141 3.908 152 1HG LYS 15 2HG LYS 15 9.603 -1.062 3.383 153 2HG LYS 15 1HG LYS 15 8.539 -2.343 2.812 154 1HD LYS 15 2HD LYS 15 6.920 -1.649 4.146 155 2HD LYS 15 1HD LYS 15 7.951 -1.787 5.564 156 1HE LYS 15 2HE LYS 15 8.133 0.594 3.697 157 2HE LYS 15 1HE LYS 15 7.032 0.568 5.090 158 1HZ LYS 15 1HZ LYS 15 9.283 1.454 5.611 159 2HZ LYS 15 2HZ LYS 15 9.927 -0.076 5.252 160 3HZ LYS 15 3HZ LYS 15 8.845 0.110 6.548 161 H LYS 16 H LYS 16 6.523 -4.379 5.222 162 HA LYS 16 HA LYS 16 6.278 -3.322 7.754 163 1HB LYS 16 2HB LYS 16 4.193 -4.676 7.785 164 2HB LYS 16 1HB LYS 16 4.476 -3.880 6.235 165 1HG LYS 16 2HG LYS 16 3.812 -6.149 5.767 166 2HG LYS 16 1HG LYS 16 5.534 -6.013 5.414 167 1HD LYS 16 2HD LYS 16 6.106 -7.443 7.058 168 2HD LYS 16 1HD LYS 16 4.969 -6.722 8.199 169 1HE LYS 16 2HE LYS 16 4.267 -9.028 7.740 170 2HE LYS 16 1HE LYS 16 3.104 -7.927 6.974 171 1HZ LYS 16 1HZ LYS 16 4.309 -8.096 4.911 172 2HZ LYS 16 2HZ LYS 16 3.897 -9.658 5.436 173 3HZ LYS 16 3HZ LYS 16 5.486 -9.086 5.626 Start of MODEL 14 1 1H ARG 1 1HT ARG 1 -4.752 7.826 0.300 2 2H ARG 1 2HT ARG 1 -5.460 9.227 0.949 3 3H ARG 1 3HT ARG 1 -6.256 8.356 -0.272 4 HA ARG 1 HA ARG 1 -5.734 7.413 2.502 5 1HB ARG 1 2HB ARG 1 -8.198 7.627 2.654 6 2HB ARG 1 1HB ARG 1 -7.442 9.172 2.252 7 1HG ARG 1 2HG ARG 1 -8.378 9.236 0.176 8 2HG ARG 1 1HG ARG 1 -8.169 7.504 -0.079 9 1HD ARG 1 2HD ARG 1 -10.461 7.490 0.166 10 2HD ARG 1 1HD ARG 1 -10.057 7.484 1.894 11 HE ARG 1 HE ARG 1 -10.048 10.085 1.590 12 1HH1 ARG 1 1HH2 ARG 1 -11.060 9.703 -1.284 13 2HH1 ARG 1 2HH2 ARG 1 -12.753 10.008 -1.074 14 1HH2 ARG 1 1HH1 ARG 1 -12.651 9.679 2.377 15 2HH2 ARG 1 2HH1 ARG 1 -13.653 9.995 0.999 16 H GLN 2 H GLN 2 -6.094 6.504 -0.773 17 HA GLN 2 HA GLN 2 -6.547 3.696 0.031 18 1HB GLN 2 2HB GLN 2 -8.212 5.425 -1.756 19 2HB GLN 2 1HB GLN 2 -8.162 3.675 -1.917 20 1HG GLN 2 2HG GLN 2 -8.590 3.684 0.657 21 2HG GLN 2 1HG GLN 2 -9.196 5.313 0.363 22 1HE2 GLN 2 1HE2 GLN 2 -10.315 2.236 0.681 23 2HE2 GLN 2 2HE2 GLN 2 -11.654 2.294 -0.360 24 H ILE 3 H ILE 3 -6.412 5.643 -2.974 25 HA ILE 3 HA ILE 3 -5.314 3.929 -4.734 26 HB ILE 3 HB ILE 3 -3.864 6.004 -5.428 27 1HG1 ILE 3 2HG1 ILE 3 -5.881 7.557 -3.968 28 2HG1 ILE 3 1HG1 ILE 3 -4.641 6.854 -2.943 29 1HG2 ILE 3 1HG2 ILE 3 -6.884 5.866 -5.385 30 2HG2 ILE 3 2HG2 ILE 3 -5.809 5.298 -6.663 31 3HG2 ILE 3 3HG2 ILE 3 -5.975 7.027 -6.352 32 1HD1 ILE 3 1HD1 ILE 3 -3.527 8.773 -3.525 33 2HD1 ILE 3 2HD1 ILE 3 -4.379 8.927 -5.061 34 3HD1 ILE 3 3HD1 ILE 3 -3.058 7.769 -4.897 35 H LYS 4 H LYS 4 -3.422 5.708 -2.316 36 HA LYS 4 HA LYS 4 -0.938 4.402 -2.950 37 1HB LYS 4 2HB LYS 4 -2.067 6.101 -0.743 38 2HB LYS 4 1HB LYS 4 -0.514 5.305 -0.489 39 1HG LYS 4 2HG LYS 4 -0.111 7.508 -1.402 40 2HG LYS 4 1HG LYS 4 0.278 6.308 -2.637 41 1HD LYS 4 2HD LYS 4 -1.675 6.728 -3.842 42 2HD LYS 4 1HD LYS 4 -2.464 7.485 -2.462 43 1HE LYS 4 2HE LYS 4 0.034 8.729 -3.602 44 2HE LYS 4 1HE LYS 4 -1.539 9.041 -4.363 45 1HZ LYS 4 1HZ LYS 4 -2.387 9.529 -2.075 46 2HZ LYS 4 2HZ LYS 4 -1.268 10.662 -2.670 47 3HZ LYS 4 3HZ LYS 4 -0.782 9.500 -1.530 48 H ILE 5 H ILE 5 -3.509 3.936 -0.596 49 HA ILE 5 HA ILE 5 -2.441 1.844 0.975 50 HB ILE 5 HB ILE 5 -5.263 2.200 -0.131 51 1HG1 ILE 5 2HG1 ILE 5 -4.903 4.282 0.821 52 2HG1 ILE 5 1HG1 ILE 5 -5.387 3.398 2.261 53 1HG2 ILE 5 1HG2 ILE 5 -4.214 0.931 2.429 54 2HG2 ILE 5 2HG2 ILE 5 -4.933 0.076 1.063 55 3HG2 ILE 5 3HG2 ILE 5 -5.920 1.164 2.041 56 1HD1 ILE 5 1HD1 ILE 5 -3.418 4.520 2.924 57 2HD1 ILE 5 2HD1 ILE 5 -2.622 4.217 1.381 58 3HD1 ILE 5 3HD1 ILE 5 -2.849 2.898 2.529 59 H PHE 6 H PHE 6 -3.668 1.943 -2.281 60 HA PHE 6 HA PHE 6 -3.813 -0.960 -2.668 61 1HB PHE 6 2HB PHE 6 -4.328 1.503 -4.109 62 2HB PHE 6 1HB PHE 6 -3.393 0.408 -5.127 63 HD1 PHE 6 1HD PHE 6 -4.201 -2.102 -5.139 64 HD2 PHE 6 2HD PHE 6 -6.647 1.233 -3.980 65 HE1 PHE 6 1HE PHE 6 -6.240 -3.449 -5.565 66 HE2 PHE 6 2HE PHE 6 -8.686 -0.113 -4.406 67 HZ PHE 6 HZ PHE 6 -8.482 -2.454 -5.199 68 H PHE 7 H PHE 7 -1.435 1.591 -3.082 69 HA PHE 7 HA PHE 7 0.616 -0.256 -4.176 70 1HB PHE 7 2HB PHE 7 -0.061 2.504 -4.346 71 2HB PHE 7 1HB PHE 7 1.478 2.428 -3.487 72 HD1 PHE 7 1HD PHE 7 3.011 0.341 -4.575 73 HD2 PHE 7 2HD PHE 7 0.211 2.872 -6.628 74 HE1 PHE 7 1HE PHE 7 4.187 -0.093 -6.715 75 HE2 PHE 7 2HE PHE 7 1.388 2.437 -8.768 76 HZ PHE 7 HZ PHE 7 3.375 0.954 -8.812 77 H GLN 8 H GLN 8 0.107 1.894 -1.372 78 HA GLN 8 HA GLN 8 2.420 1.333 0.105 79 1HB GLN 8 2HB GLN 8 -0.451 1.740 1.001 80 2HB GLN 8 1HB GLN 8 0.950 1.893 2.046 81 1HG GLN 8 2HG GLN 8 1.850 3.583 0.335 82 2HG GLN 8 1HG GLN 8 0.200 3.656 -0.286 83 1HE2 GLN 8 1HE2 GLN 8 2.009 5.565 1.464 84 2HE2 GLN 8 2HE2 GLN 8 0.957 6.029 2.712 85 H ASN 9 H ASN 9 -0.510 -0.546 -0.368 86 HA ASN 9 HA ASN 9 -0.157 -2.581 1.591 87 1HB ASN 9 2HB ASN 9 -2.178 -2.234 0.203 88 2HB ASN 9 1HB ASN 9 -1.258 -2.688 -1.236 89 1HD2 ASN 9 1HD2 ASN 9 -2.716 -4.555 -1.573 90 2HD2 ASN 9 2HD2 ASN 9 -2.581 -5.939 -0.600 91 H ARG 10 H ARG 10 1.738 -1.702 -1.086 92 HA ARG 10 HA ARG 10 3.131 -4.347 -1.087 93 1HB ARG 10 2HB ARG 10 2.810 -2.395 -3.372 94 2HB ARG 10 1HB ARG 10 3.455 -4.036 -3.457 95 1HG ARG 10 2HG ARG 10 0.640 -3.391 -2.549 96 2HG ARG 10 1HG ARG 10 1.066 -3.816 -4.194 97 1HD ARG 10 2HD ARG 10 2.126 -5.679 -2.165 98 2HD ARG 10 1HD ARG 10 0.366 -5.667 -2.313 99 HE ARG 10 HE ARG 10 0.853 -6.964 -4.214 100 1HH1 ARG 10 1HH1 ARG 10 3.870 -6.352 -3.962 101 2HH1 ARG 10 2HH1 ARG 10 4.181 -5.672 -5.525 102 1HH2 ARG 10 1HH2 ARG 10 0.830 -5.176 -6.267 103 2HH2 ARG 10 2HH2 ARG 10 2.460 -5.007 -6.830 104 H ARG 11 H ARG 11 3.437 -1.177 -0.109 105 HA ARG 11 HA ARG 11 6.331 -1.048 -0.828 106 1HB ARG 11 2HB ARG 11 5.931 1.179 -1.281 107 2HB ARG 11 1HB ARG 11 4.279 0.628 -1.460 108 1HG ARG 11 2HG ARG 11 4.030 2.405 -0.009 109 2HG ARG 11 1HG ARG 11 4.111 1.061 1.079 110 1HD ARG 11 2HD ARG 11 5.625 3.337 1.250 111 2HD ARG 11 1HD ARG 11 6.025 1.795 1.986 112 HE ARG 11 HE ARG 11 6.927 2.452 -0.764 113 1HH1 ARG 11 1HH1 ARG 11 8.438 3.218 1.891 114 2HH1 ARG 11 2HH1 ARG 11 9.672 2.003 1.871 115 1HH2 ARG 11 1HH2 ARG 11 8.116 0.088 -0.566 116 2HH2 ARG 11 2HH2 ARG 11 9.488 0.229 0.481 117 H MET 12 H MET 12 3.887 -0.621 1.661 118 HA MET 12 HA MET 12 6.032 -0.382 3.719 119 1HB MET 12 2HB MET 12 3.818 0.021 5.137 120 2HB MET 12 1HB MET 12 4.538 1.311 4.182 121 1HG MET 12 2HG MET 12 2.926 1.181 2.552 122 2HG MET 12 1HG MET 12 2.543 -0.493 2.928 123 1HE MET 12 1HE MET 12 -0.484 0.943 3.005 124 2HE MET 12 2HE MET 12 -0.588 -0.257 4.291 125 3HE MET 12 3HE MET 12 0.461 -0.550 2.906 126 H LYS 13 H LYS 13 3.466 -2.411 2.544 127 HA LYS 13 HA LYS 13 3.671 -4.306 4.774 128 1HB LYS 13 2HB LYS 13 2.417 -4.781 2.096 129 2HB LYS 13 1HB LYS 13 1.898 -5.389 3.663 130 1HG LYS 13 2HG LYS 13 1.549 -2.627 2.505 131 2HG LYS 13 1HG LYS 13 0.334 -3.732 3.109 132 1HD LYS 13 2HD LYS 13 2.379 -2.842 5.070 133 2HD LYS 13 1HD LYS 13 1.203 -1.639 4.536 134 1HE LYS 13 2HE LYS 13 -0.020 -2.575 6.265 135 2HE LYS 13 1HE LYS 13 -0.470 -3.721 4.987 136 1HZ LYS 13 1HZ LYS 13 0.438 -4.793 7.027 137 2HZ LYS 13 2HZ LYS 13 1.925 -4.032 6.714 138 3HZ LYS 13 3HZ LYS 13 1.298 -5.164 5.613 139 H PHE 14 H PHE 14 5.415 -3.427 2.096 140 HA PHE 14 HA PHE 14 6.319 -6.016 1.143 141 1HB PHE 14 2HB PHE 14 6.177 -3.383 0.270 142 2HB PHE 14 1HB PHE 14 7.898 -3.607 0.566 143 HD1 PHE 14 1HD PHE 14 5.148 -5.810 -0.742 144 HD2 PHE 14 2HD PHE 14 9.062 -4.158 -1.374 145 HE1 PHE 14 1HE PHE 14 5.351 -7.098 -2.852 146 HE2 PHE 14 2HE PHE 14 9.265 -5.445 -3.484 147 HZ PHE 14 HZ PHE 14 7.410 -6.916 -4.223 148 H LYS 15 H LYS 15 7.154 -3.778 3.648 149 HA LYS 15 HA LYS 15 9.584 -5.427 4.254 150 1HB LYS 15 2HB LYS 15 10.205 -2.908 5.175 151 2HB LYS 15 1HB LYS 15 10.727 -3.548 3.616 152 1HG LYS 15 2HG LYS 15 9.698 -1.408 3.210 153 2HG LYS 15 1HG LYS 15 8.566 -2.633 2.647 154 1HD LYS 15 2HD LYS 15 7.032 -1.805 4.007 155 2HD LYS 15 1HD LYS 15 8.024 -2.234 5.391 156 1HE LYS 15 2HE LYS 15 7.430 0.213 5.349 157 2HE LYS 15 1HE LYS 15 9.179 -0.065 5.280 158 1HZ LYS 15 1HZ LYS 15 7.951 1.454 3.518 159 2HZ LYS 15 2HZ LYS 15 7.714 -0.042 2.747 160 3HZ LYS 15 3HZ LYS 15 9.286 0.499 3.095 161 H LYS 16 H LYS 16 6.602 -4.617 5.209 162 HA LYS 16 HA LYS 16 6.659 -3.676 7.801 163 1HB LYS 16 2HB LYS 16 4.473 -4.838 7.940 164 2HB LYS 16 1HB LYS 16 4.700 -4.002 6.401 165 1HG LYS 16 2HG LYS 16 3.800 -6.187 5.914 166 2HG LYS 16 1HG LYS 16 5.491 -6.177 5.415 167 1HD LYS 16 2HD LYS 16 6.081 -7.712 6.957 168 2HD LYS 16 1HD LYS 16 5.092 -6.964 8.213 169 1HE LYS 16 2HE LYS 16 3.112 -7.950 6.668 170 2HE LYS 16 1HE LYS 16 4.380 -9.132 6.290 171 1HZ LYS 16 1HZ LYS 16 4.810 -9.253 8.730 172 2HZ LYS 16 2HZ LYS 16 3.301 -9.874 8.259 173 3HZ LYS 16 3HZ LYS 16 3.405 -8.338 8.979 Start of MODEL 15 1 1H ARG 1 1HT ARG 1 -7.393 7.633 3.541 2 2H ARG 1 2HT ARG 1 -5.786 8.142 3.748 3 3H ARG 1 3HT ARG 1 -6.156 6.484 3.702 4 HA ARG 1 HA ARG 1 -6.865 8.140 1.376 5 1HB ARG 1 2HB ARG 1 -4.550 7.882 0.554 6 2HB ARG 1 1HB ARG 1 -4.567 8.781 2.071 7 1HG ARG 1 2HG ARG 1 -4.334 6.274 3.045 8 2HG ARG 1 1HG ARG 1 -3.528 6.058 1.491 9 1HD ARG 1 2HD ARG 1 -2.858 8.274 3.458 10 2HD ARG 1 1HD ARG 1 -1.935 6.769 3.285 11 HE ARG 1 HE ARG 1 -1.679 7.443 0.827 12 1HH1 ARG 1 1HH1 ARG 1 -0.121 9.118 2.931 13 2HH1 ARG 1 2HH1 ARG 1 -0.348 10.707 2.282 14 1HH2 ARG 1 1HH2 ARG 1 -2.913 9.759 0.150 15 2HH2 ARG 1 2HH2 ARG 1 -1.929 11.070 0.708 16 H GLN 2 H GLN 2 -5.976 6.568 -0.563 17 HA GLN 2 HA GLN 2 -6.472 3.730 0.114 18 1HB GLN 2 2HB GLN 2 -8.115 5.573 -1.564 19 2HB GLN 2 1HB GLN 2 -8.053 3.846 -1.885 20 1HG GLN 2 2HG GLN 2 -8.604 3.495 0.577 21 2HG GLN 2 1HG GLN 2 -8.991 5.214 0.629 22 1HE2 GLN 2 1HE2 GLN 2 -11.128 5.718 0.124 23 2HE2 GLN 2 2HE2 GLN 2 -12.180 4.724 -0.764 24 H ILE 3 H ILE 3 -6.258 5.826 -2.782 25 HA ILE 3 HA ILE 3 -5.202 4.182 -4.629 26 HB ILE 3 HB ILE 3 -3.684 6.243 -5.199 27 1HG1 ILE 3 2HG1 ILE 3 -5.652 7.776 -3.655 28 2HG1 ILE 3 1HG1 ILE 3 -4.439 6.974 -2.671 29 1HG2 ILE 3 1HG2 ILE 3 -6.634 6.774 -5.155 30 2HG2 ILE 3 2HG2 ILE 3 -6.005 5.427 -6.104 31 3HG2 ILE 3 3HG2 ILE 3 -5.469 7.072 -6.446 32 1HD1 ILE 3 1HD1 ILE 3 -2.820 7.945 -4.568 33 2HD1 ILE 3 2HD1 ILE 3 -3.257 8.884 -3.140 34 3HD1 ILE 3 3HD1 ILE 3 -4.100 9.154 -4.666 35 H LYS 4 H LYS 4 -3.258 5.756 -2.109 36 HA LYS 4 HA LYS 4 -0.825 4.389 -2.818 37 1HB LYS 4 2HB LYS 4 -1.883 6.025 -0.531 38 2HB LYS 4 1HB LYS 4 -0.362 5.158 -0.320 39 1HG LYS 4 2HG LYS 4 0.142 7.372 -1.130 40 2HG LYS 4 1HG LYS 4 0.451 6.227 -2.437 41 1HD LYS 4 2HD LYS 4 -1.489 6.816 -3.584 42 2HD LYS 4 1HD LYS 4 -2.231 7.513 -2.147 43 1HE LYS 4 2HE LYS 4 0.303 8.723 -3.247 44 2HE LYS 4 1HE LYS 4 -1.268 9.154 -3.952 45 1HZ LYS 4 1HZ LYS 4 -0.575 9.274 -1.063 46 2HZ LYS 4 2HZ LYS 4 -2.087 9.660 -1.733 47 3HZ LYS 4 3HZ LYS 4 -0.727 10.612 -2.094 48 H ILE 5 H ILE 5 -3.422 3.913 -0.506 49 HA ILE 5 HA ILE 5 -2.443 1.719 0.984 50 HB ILE 5 HB ILE 5 -5.243 2.227 -0.108 51 1HG1 ILE 5 2HG1 ILE 5 -4.803 4.265 0.906 52 2HG1 ILE 5 1HG1 ILE 5 -5.319 3.358 2.321 53 1HG2 ILE 5 1HG2 ILE 5 -5.770 1.268 2.266 54 2HG2 ILE 5 2HG2 ILE 5 -4.122 0.644 2.208 55 3HG2 ILE 5 3HG2 ILE 5 -5.297 0.142 0.993 56 1HD1 ILE 5 1HD1 ILE 5 -3.306 4.367 3.023 57 2HD1 ILE 5 2HD1 ILE 5 -2.530 4.113 1.462 58 3HD1 ILE 5 3HD1 ILE 5 -2.791 2.749 2.549 59 H PHE 6 H PHE 6 -3.654 1.996 -2.268 60 HA PHE 6 HA PHE 6 -3.915 -0.889 -2.750 61 1HB PHE 6 2HB PHE 6 -4.201 1.671 -4.173 62 2HB PHE 6 1HB PHE 6 -3.524 0.403 -5.193 63 HD1 PHE 6 1HD PHE 6 -5.046 -0.907 -6.363 64 HD2 PHE 6 2HD PHE 6 -6.198 0.759 -2.574 65 HE1 PHE 6 1HE PHE 6 -7.300 -1.914 -6.605 66 HE2 PHE 6 2HE PHE 6 -8.451 -0.248 -2.816 67 HZ PHE 6 HZ PHE 6 -9.002 -1.585 -4.832 68 H PHE 7 H PHE 7 -1.438 1.580 -3.051 69 HA PHE 7 HA PHE 7 0.531 -0.314 -4.211 70 1HB PHE 7 2HB PHE 7 0.005 2.512 -4.208 71 2HB PHE 7 1HB PHE 7 1.594 2.254 -3.488 72 HD1 PHE 7 1HD PHE 7 0.187 3.064 -6.464 73 HD2 PHE 7 2HD PHE 7 2.777 0.050 -4.835 74 HE1 PHE 7 1HE PHE 7 1.141 2.664 -8.718 75 HE2 PHE 7 2HE PHE 7 3.731 -0.349 -7.088 76 HZ PHE 7 HZ PHE 7 2.913 0.958 -9.031 77 H GLN 8 H GLN 8 0.228 1.845 -1.365 78 HA GLN 8 HA GLN 8 2.447 1.127 0.140 79 1HB GLN 8 2HB GLN 8 -0.444 1.554 0.977 80 2HB GLN 8 1HB GLN 8 0.924 1.618 2.075 81 1HG GLN 8 2HG GLN 8 1.926 3.377 0.517 82 2HG GLN 8 1HG GLN 8 0.327 3.495 -0.219 83 1HE2 GLN 8 1HE2 GLN 8 1.606 5.648 1.294 84 2HE2 GLN 8 2HE2 GLN 8 0.645 5.937 2.663 85 H ASN 9 H ASN 9 -0.494 -0.697 -0.478 86 HA ASN 9 HA ASN 9 -0.210 -2.818 1.404 87 1HB ASN 9 2HB ASN 9 -2.196 -2.338 -0.017 88 2HB ASN 9 1HB ASN 9 -1.271 -2.814 -1.444 89 1HD2 ASN 9 1HD2 ASN 9 -1.585 -4.299 1.837 90 2HD2 ASN 9 2HD2 ASN 9 -2.032 -5.831 1.258 91 H ARG 10 H ARG 10 1.756 -1.866 -1.193 92 HA ARG 10 HA ARG 10 3.114 -4.533 -1.280 93 1HB ARG 10 2HB ARG 10 2.838 -2.509 -3.505 94 2HB ARG 10 1HB ARG 10 3.458 -4.156 -3.636 95 1HG ARG 10 2HG ARG 10 0.647 -3.512 -2.718 96 2HG ARG 10 1HG ARG 10 1.072 -3.857 -4.382 97 1HD ARG 10 2HD ARG 10 1.562 -5.729 -2.047 98 2HD ARG 10 1HD ARG 10 0.297 -5.923 -3.263 99 HE ARG 10 HE ARG 10 2.767 -6.947 -3.691 100 1HH1 ARG 10 1HH1 ARG 10 0.465 -5.965 -5.698 101 2HH1 ARG 10 2HH1 ARG 10 1.481 -5.354 -6.961 102 1HH2 ARG 10 1HH2 ARG 10 4.368 -5.434 -5.040 103 2HH2 ARG 10 2HH2 ARG 10 3.691 -5.053 -6.588 104 H ARG 11 H ARG 11 3.389 -1.361 -0.309 105 HA ARG 11 HA ARG 11 6.306 -1.168 -0.918 106 1HB ARG 11 2HB ARG 11 4.605 1.093 0.080 107 2HB ARG 11 1HB ARG 11 5.948 1.139 -1.059 108 1HG ARG 11 2HG ARG 11 3.950 -0.444 -2.238 109 2HG ARG 11 1HG ARG 11 3.141 0.958 -1.580 110 1HD ARG 11 2HD ARG 11 5.566 1.043 -3.398 111 2HD ARG 11 1HD ARG 11 3.907 1.432 -3.869 112 HE ARG 11 HE ARG 11 5.209 2.889 -1.634 113 1HH1 ARG 11 1HH1 ARG 11 5.207 3.344 -4.856 114 2HH1 ARG 11 2HH1 ARG 11 4.258 4.793 -4.880 115 1HH2 ARG 11 1HH2 ARG 11 3.283 4.524 -1.563 116 2HH2 ARG 11 2HH2 ARG 11 3.168 5.461 -3.015 117 H MET 12 H MET 12 3.839 -0.404 1.496 118 HA MET 12 HA MET 12 5.879 -0.310 3.634 119 1HB MET 12 2HB MET 12 3.754 0.017 5.050 120 2HB MET 12 1HB MET 12 4.160 1.284 3.898 121 1HG MET 12 2HG MET 12 2.496 0.640 2.429 122 2HG MET 12 1HG MET 12 2.394 -0.982 3.102 123 1HE MET 12 1HE MET 12 -0.917 -0.501 4.140 124 2HE MET 12 2HE MET 12 0.151 -0.750 2.762 125 3HE MET 12 3HE MET 12 -0.676 0.793 2.958 126 H LYS 13 H LYS 13 3.312 -2.437 2.510 127 HA LYS 13 HA LYS 13 3.571 -4.359 4.674 128 1HB LYS 13 2HB LYS 13 2.582 -4.836 1.870 129 2HB LYS 13 1HB LYS 13 2.049 -5.628 3.349 130 1HG LYS 13 2HG LYS 13 1.411 -2.869 2.344 131 2HG LYS 13 1HG LYS 13 0.324 -4.126 2.894 132 1HD LYS 13 2HD LYS 13 2.258 -2.907 4.841 133 2HD LYS 13 1HD LYS 13 0.773 -2.052 4.423 134 1HE LYS 13 2HE LYS 13 -0.502 -3.481 5.651 135 2HE LYS 13 1HE LYS 13 0.333 -4.906 4.998 136 1HZ LYS 13 1HZ LYS 13 2.158 -4.549 6.456 137 2HZ LYS 13 2HZ LYS 13 0.754 -4.486 7.410 138 3HZ LYS 13 3HZ LYS 13 1.550 -3.051 6.970 139 H PHE 14 H PHE 14 5.353 -3.460 1.955 140 HA PHE 14 HA PHE 14 6.614 -5.986 1.282 141 1HB PHE 14 2HB PHE 14 6.250 -3.423 0.240 142 2HB PHE 14 1HB PHE 14 7.972 -3.478 0.603 143 HD1 PHE 14 1HD PHE 14 5.333 -5.726 -0.848 144 HD2 PHE 14 2HD PHE 14 9.381 -4.304 -1.059 145 HE1 PHE 14 1HE PHE 14 5.717 -7.120 -2.863 146 HE2 PHE 14 2HE PHE 14 9.764 -5.700 -3.073 147 HZ PHE 14 HZ PHE 14 7.933 -7.107 -3.975 148 H LYS 15 H LYS 15 6.950 -3.585 3.717 149 HA LYS 15 HA LYS 15 9.479 -4.867 4.640 150 1HB LYS 15 2HB LYS 15 10.217 -2.483 5.226 151 2HB LYS 15 1HB LYS 15 10.223 -2.891 3.514 152 1HG LYS 15 2HG LYS 15 7.627 -1.953 4.016 153 2HG LYS 15 1HG LYS 15 8.677 -0.873 4.927 154 1HD LYS 15 2HD LYS 15 8.983 -1.577 1.995 155 2HD LYS 15 1HD LYS 15 8.360 -0.052 2.628 156 1HE LYS 15 2HE LYS 15 10.474 0.741 2.800 157 2HE LYS 15 1HE LYS 15 10.888 -0.593 3.896 158 1HZ LYS 15 1HZ LYS 15 10.778 -0.796 0.932 159 2HZ LYS 15 2HZ LYS 15 11.231 -2.030 2.008 160 3HZ LYS 15 3HZ LYS 15 12.206 -0.650 1.838 161 H LYS 16 H LYS 16 6.383 -4.307 5.293 162 HA LYS 16 HA LYS 16 6.173 -3.043 7.754 163 1HB LYS 16 2HB LYS 16 4.076 -4.360 7.896 164 2HB LYS 16 1HB LYS 16 4.341 -3.678 6.289 165 1HG LYS 16 2HG LYS 16 3.655 -5.960 5.974 166 2HG LYS 16 1HG LYS 16 5.381 -5.884 5.622 167 1HD LYS 16 2HD LYS 16 5.911 -7.218 7.355 168 2HD LYS 16 1HD LYS 16 4.812 -6.374 8.447 169 1HE LYS 16 2HE LYS 16 3.107 -7.866 8.079 170 2HE LYS 16 1HE LYS 16 3.499 -8.032 6.356 171 1HZ LYS 16 1HZ LYS 16 5.120 -9.140 8.588 172 2HZ LYS 16 2HZ LYS 16 5.435 -9.328 6.928 173 3HZ LYS 16 3HZ LYS 16 4.058 -10.045 7.623 Start of MODEL 16 1 1H ARG 1 1HT ARG 1 -4.786 10.040 2.264 2 2H ARG 1 2HT ARG 1 -4.684 8.406 2.717 3 3H ARG 1 3HT ARG 1 -6.132 9.263 2.941 4 HA ARG 1 HA ARG 1 -6.678 9.234 0.705 5 1HB ARG 1 2HB ARG 1 -4.908 8.911 -1.004 6 2HB ARG 1 1HB ARG 1 -4.508 10.243 0.084 7 1HG ARG 1 2HG ARG 1 -3.201 8.510 1.460 8 2HG ARG 1 1HG ARG 1 -3.369 7.444 0.066 9 1HD ARG 1 2HD ARG 1 -1.247 8.615 -0.149 10 2HD ARG 1 1HD ARG 1 -2.358 9.306 -1.348 11 HE ARG 1 HE ARG 1 -2.752 10.786 1.011 12 1HH1 ARG 1 1HH1 ARG 1 0.248 10.281 1.221 13 2HH1 ARG 1 2HH1 ARG 1 0.879 11.677 0.413 14 1HH2 ARG 1 1HH2 ARG 1 -2.139 12.507 -1.079 15 2HH2 ARG 1 2HH2 ARG 1 -0.472 12.938 -0.889 16 H GLN 2 H GLN 2 -6.196 7.234 -1.063 17 HA GLN 2 HA GLN 2 -6.030 4.708 0.490 18 1HB GLN 2 2HB GLN 2 -8.215 5.759 -1.284 19 2HB GLN 2 1HB GLN 2 -8.003 4.042 -0.972 20 1HG GLN 2 2HG GLN 2 -8.113 4.503 1.480 21 2HG GLN 2 1HG GLN 2 -8.462 6.191 1.105 22 1HE2 GLN 2 1HE2 GLN 2 -10.412 6.401 -0.573 23 2HE2 GLN 2 2HE2 GLN 2 -11.745 5.399 -0.256 24 H ILE 3 H ILE 3 -6.160 6.189 -2.758 25 HA ILE 3 HA ILE 3 -5.511 4.164 -4.428 26 HB ILE 3 HB ILE 3 -3.811 5.924 -5.399 27 1HG1 ILE 3 2HG1 ILE 3 -5.441 7.892 -3.967 28 2HG1 ILE 3 1HG1 ILE 3 -4.287 7.058 -2.940 29 1HG2 ILE 3 1HG2 ILE 3 -6.809 6.127 -5.178 30 2HG2 ILE 3 2HG2 ILE 3 -5.848 5.537 -6.534 31 3HG2 ILE 3 3HG2 ILE 3 -5.881 7.260 -6.160 32 1HD1 ILE 3 1HD1 ILE 3 -2.634 7.541 -4.937 33 2HD1 ILE 3 2HD1 ILE 3 -2.957 8.773 -3.718 34 3HD1 ILE 3 3HD1 ILE 3 -3.773 8.842 -5.280 35 H LYS 4 H LYS 4 -3.289 5.716 -2.172 36 HA LYS 4 HA LYS 4 -0.963 4.191 -2.876 37 1HB LYS 4 2HB LYS 4 -1.933 5.922 -0.633 38 2HB LYS 4 1HB LYS 4 -0.491 4.952 -0.353 39 1HG LYS 4 2HG LYS 4 0.238 7.066 -1.205 40 2HG LYS 4 1HG LYS 4 0.430 5.890 -2.507 41 1HD LYS 4 2HD LYS 4 -1.452 6.656 -3.649 42 2HD LYS 4 1HD LYS 4 -2.106 7.448 -2.218 43 1HE LYS 4 2HE LYS 4 -1.232 9.348 -3.195 44 2HE LYS 4 1HE LYS 4 0.285 8.764 -2.485 45 1HZ LYS 4 1HZ LYS 4 0.347 9.179 -4.952 46 2HZ LYS 4 2HZ LYS 4 -0.704 7.856 -5.129 47 3HZ LYS 4 3HZ LYS 4 0.843 7.634 -4.462 48 H ILE 5 H ILE 5 -3.625 3.714 -0.626 49 HA ILE 5 HA ILE 5 -2.691 1.597 0.947 50 HB ILE 5 HB ILE 5 -5.337 2.342 -0.291 51 1HG1 ILE 5 2HG1 ILE 5 -5.729 3.434 1.699 52 2HG1 ILE 5 1HG1 ILE 5 -4.795 2.292 2.613 53 1HG2 ILE 5 1HG2 ILE 5 -6.317 0.751 1.459 54 2HG2 ILE 5 2HG2 ILE 5 -4.705 0.044 1.571 55 3HG2 ILE 5 3HG2 ILE 5 -5.587 -0.009 0.044 56 1HD1 ILE 5 1HD1 ILE 5 -3.615 4.400 2.646 57 2HD1 ILE 5 2HD1 ILE 5 -3.703 4.518 0.894 58 3HD1 ILE 5 3HD1 ILE 5 -2.699 3.280 1.646 59 H PHE 6 H PHE 6 -3.754 1.766 -2.368 60 HA PHE 6 HA PHE 6 -3.845 -1.127 -2.852 61 1HB PHE 6 2HB PHE 6 -4.311 1.381 -4.240 62 2HB PHE 6 1HB PHE 6 -3.345 0.309 -5.251 63 HD1 PHE 6 1HD PHE 6 -6.351 0.215 -3.006 64 HD2 PHE 6 2HD PHE 6 -4.441 -1.293 -6.546 65 HE1 PHE 6 1HE PHE 6 -8.380 -1.110 -3.535 66 HE2 PHE 6 2HE PHE 6 -6.471 -2.618 -7.076 67 HZ PHE 6 HZ PHE 6 -8.439 -2.526 -5.569 68 H PHE 7 H PHE 7 -1.477 1.465 -3.164 69 HA PHE 7 HA PHE 7 0.612 -0.349 -4.221 70 1HB PHE 7 2HB PHE 7 -0.007 2.462 -4.169 71 2HB PHE 7 1HB PHE 7 1.568 2.230 -3.410 72 HD1 PHE 7 1HD PHE 7 2.821 0.063 -4.788 73 HD2 PHE 7 2HD PHE 7 0.252 3.110 -6.392 74 HE1 PHE 7 1HE PHE 7 3.845 -0.251 -7.025 75 HE2 PHE 7 2HE PHE 7 1.277 2.797 -8.628 76 HZ PHE 7 HZ PHE 7 3.074 1.117 -8.944 77 H GLN 8 H GLN 8 0.128 1.738 -1.349 78 HA GLN 8 HA GLN 8 2.302 1.094 0.240 79 1HB GLN 8 2HB GLN 8 -0.647 1.326 0.929 80 2HB GLN 8 1HB GLN 8 0.644 1.393 2.118 81 1HG GLN 8 2HG GLN 8 1.662 3.282 0.777 82 2HG GLN 8 1HG GLN 8 0.164 3.334 -0.155 83 1HE2 GLN 8 1HE2 GLN 8 0.639 5.640 1.197 84 2HE2 GLN 8 2HE2 GLN 8 -0.311 5.759 2.598 85 H ASN 9 H ASN 9 -0.524 -0.868 -0.498 86 HA ASN 9 HA ASN 9 -0.165 -3.025 1.322 87 1HB ASN 9 2HB ASN 9 -2.136 -2.582 -0.141 88 2HB ASN 9 1HB ASN 9 -1.158 -3.008 -1.549 89 1HD2 ASN 9 1HD2 ASN 9 -2.893 -4.317 1.219 90 2HD2 ASN 9 2HD2 ASN 9 -2.680 -5.953 0.816 91 H ARG 10 H ARG 10 1.801 -1.903 -1.202 92 HA ARG 10 HA ARG 10 3.299 -4.491 -1.332 93 1HB ARG 10 2HB ARG 10 2.946 -2.424 -3.507 94 2HB ARG 10 1HB ARG 10 3.667 -4.026 -3.670 95 1HG ARG 10 2HG ARG 10 0.805 -3.564 -2.800 96 2HG ARG 10 1HG ARG 10 1.290 -3.872 -4.457 97 1HD ARG 10 2HD ARG 10 2.240 -6.046 -3.821 98 2HD ARG 10 1HD ARG 10 1.849 -5.732 -2.127 99 HE ARG 10 HE ARG 10 -0.176 -6.746 -2.819 100 1HH1 ARG 10 1HH2 ARG 10 0.452 -6.491 -5.799 101 2HH1 ARG 10 2HH2 ARG 10 -0.863 -5.493 -6.326 102 1HH2 ARG 10 1HH1 ARG 10 -1.734 -4.488 -3.124 103 2HH2 ARG 10 2HH1 ARG 10 -2.099 -4.360 -4.812 104 H ARG 11 H ARG 11 3.400 -1.337 -0.261 105 HA ARG 11 HA ARG 11 6.318 -0.988 -0.811 106 1HB ARG 11 2HB ARG 11 4.507 1.181 0.190 107 2HB ARG 11 1HB ARG 11 5.857 1.298 -0.934 108 1HG ARG 11 2HG ARG 11 3.956 -0.344 -2.172 109 2HG ARG 11 1HG ARG 11 3.058 0.988 -1.481 110 1HD ARG 11 2HD ARG 11 5.487 1.265 -3.277 111 2HD ARG 11 1HD ARG 11 3.811 1.585 -3.743 112 HE ARG 11 HE ARG 11 5.030 3.029 -1.451 113 1HH1 ARG 11 1HH1 ARG 11 4.829 3.461 -4.718 114 2HH1 ARG 11 2HH1 ARG 11 3.894 4.919 -4.673 115 1HH2 ARG 11 1HH2 ARG 11 3.220 4.696 -1.279 116 2HH2 ARG 11 2HH2 ARG 11 2.983 5.617 -2.725 117 H MET 12 H MET 12 3.754 -0.436 1.556 118 HA MET 12 HA MET 12 5.746 -0.274 3.740 119 1HB MET 12 2HB MET 12 3.574 -0.061 5.109 120 2HB MET 12 1HB MET 12 3.967 1.252 4.006 121 1HG MET 12 2HG MET 12 2.365 0.593 2.475 122 2HG MET 12 1HG MET 12 2.305 -1.051 3.102 123 1HE MET 12 1HE MET 12 2.014 2.308 5.584 124 2HE MET 12 2HE MET 12 0.563 2.787 4.707 125 3HE MET 12 3HE MET 12 2.063 2.504 3.826 126 H LYS 13 H LYS 13 3.367 -2.493 2.448 127 HA LYS 13 HA LYS 13 3.660 -4.425 4.613 128 1HB LYS 13 2HB LYS 13 2.668 -4.917 1.818 129 2HB LYS 13 1HB LYS 13 2.152 -5.709 3.301 130 1HG LYS 13 2HG LYS 13 1.474 -2.956 2.298 131 2HG LYS 13 1HG LYS 13 0.401 -4.244 2.799 132 1HD LYS 13 2HD LYS 13 2.263 -3.004 4.803 133 2HD LYS 13 1HD LYS 13 0.748 -2.201 4.379 134 1HE LYS 13 2HE LYS 13 -0.471 -3.690 5.588 135 2HE LYS 13 1HE LYS 13 0.391 -5.072 4.883 136 1HZ LYS 13 1HZ LYS 13 2.232 -4.694 6.336 137 2HZ LYS 13 2HZ LYS 13 0.830 -4.760 7.292 138 3HZ LYS 13 3HZ LYS 13 1.548 -3.262 6.935 139 H PHE 14 H PHE 14 5.493 -3.354 2.043 140 HA PHE 14 HA PHE 14 6.755 -5.801 1.170 141 1HB PHE 14 2HB PHE 14 6.412 -3.305 0.221 142 2HB PHE 14 1HB PHE 14 8.002 -3.100 0.949 143 HD1 PHE 14 1HD PHE 14 7.691 -2.790 -1.956 144 HD2 PHE 14 2HD PHE 14 8.382 -6.354 0.352 145 HE1 PHE 14 1HE PHE 14 8.748 -3.865 -3.922 146 HE2 PHE 14 2HE PHE 14 9.434 -7.421 -1.618 147 HZ PHE 14 HZ PHE 14 9.619 -6.179 -3.755 148 H LYS 15 H LYS 15 7.139 -3.513 3.737 149 HA LYS 15 HA LYS 15 9.572 -4.988 4.664 150 1HB LYS 15 2HB LYS 15 10.024 -2.415 5.482 151 2HB LYS 15 1HB LYS 15 10.669 -3.086 3.985 152 1HG LYS 15 2HG LYS 15 9.581 -1.014 3.419 153 2HG LYS 15 1HG LYS 15 8.524 -2.305 2.855 154 1HD LYS 15 2HD LYS 15 6.890 -1.602 4.166 155 2HD LYS 15 1HD LYS 15 7.912 -1.699 5.595 156 1HE LYS 15 2HE LYS 15 8.915 0.555 4.823 157 2HE LYS 15 1HE LYS 15 7.505 0.665 3.750 158 1HZ LYS 15 1HZ LYS 15 6.037 0.443 5.575 159 2HZ LYS 15 2HZ LYS 15 7.172 1.622 6.032 160 3HZ LYS 15 3HZ LYS 15 7.293 0.040 6.642 161 H LYS 16 H LYS 16 6.479 -4.311 5.266 162 HA LYS 16 HA LYS 16 6.185 -3.194 7.764 163 1HB LYS 16 2HB LYS 16 4.117 -4.573 7.805 164 2HB LYS 16 1HB LYS 16 4.409 -3.813 6.239 165 1HG LYS 16 2HG LYS 16 3.778 -6.102 5.824 166 2HG LYS 16 1HG LYS 16 5.501 -5.951 5.484 167 1HD LYS 16 2HD LYS 16 6.075 -7.334 7.167 168 2HD LYS 16 1HD LYS 16 4.920 -6.598 8.280 169 1HE LYS 16 2HE LYS 16 3.108 -7.842 6.867 170 2HE LYS 16 1HE LYS 16 4.466 -8.837 6.306 171 1HZ LYS 16 1HZ LYS 16 3.389 -9.656 8.389 172 2HZ LYS 16 2HZ LYS 16 3.933 -8.247 9.166 173 3HZ LYS 16 3HZ LYS 16 5.053 -9.357 8.534 Start of MODEL 17 1 1H ARG 1 1HT ARG 1 -4.707 8.654 -0.895 2 2H ARG 1 2HT ARG 1 -5.241 10.223 -0.523 3 3H ARG 1 3HT ARG 1 -6.267 9.146 -1.340 4 HA ARG 1 HA ARG 1 -5.397 9.045 1.494 5 1HB ARG 1 2HB ARG 1 -7.791 9.230 1.860 6 2HB ARG 1 1HB ARG 1 -7.307 10.484 0.718 7 1HG ARG 1 2HG ARG 1 -7.895 8.283 -0.902 8 2HG ARG 1 1HG ARG 1 -9.143 8.245 0.341 9 1HD ARG 1 2HD ARG 1 -8.655 10.966 -0.618 10 2HD ARG 1 1HD ARG 1 -9.178 9.873 -1.915 11 HE ARG 1 HE ARG 1 -10.675 9.697 0.629 12 1HH1 ARG 1 1HH1 ARG 1 -10.589 12.040 -1.695 13 2HH1 ARG 1 2HH1 ARG 1 -12.205 11.813 -2.274 14 1HH2 ARG 1 1HH2 ARG 1 -12.706 8.872 -0.505 15 2HH2 ARG 1 2HH2 ARG 1 -13.405 10.018 -1.600 16 H GLN 2 H GLN 2 -6.339 7.151 -1.292 17 HA GLN 2 HA GLN 2 -6.139 4.692 0.357 18 1HB GLN 2 2HB GLN 2 -8.316 5.588 -1.517 19 2HB GLN 2 1HB GLN 2 -8.071 3.908 -1.070 20 1HG GLN 2 2HG GLN 2 -8.081 4.788 1.371 21 2HG GLN 2 1HG GLN 2 -8.873 6.204 0.682 22 1HE2 GLN 2 1HE2 GLN 2 -9.163 2.604 0.437 23 2HE2 GLN 2 2HE2 GLN 2 -10.859 2.599 0.448 24 H ILE 3 H ILE 3 -6.267 6.059 -2.942 25 HA ILE 3 HA ILE 3 -5.534 4.009 -4.540 26 HB ILE 3 HB ILE 3 -3.869 5.785 -5.539 27 1HG1 ILE 3 2HG1 ILE 3 -5.566 7.753 -4.188 28 2HG1 ILE 3 1HG1 ILE 3 -4.411 6.976 -3.119 29 1HG2 ILE 3 1HG2 ILE 3 -5.828 5.386 -6.745 30 2HG2 ILE 3 2HG2 ILE 3 -6.026 7.076 -6.280 31 3HG2 ILE 3 3HG2 ILE 3 -6.866 5.811 -5.383 32 1HD1 ILE 3 1HD1 ILE 3 -3.111 8.706 -3.928 33 2HD1 ILE 3 2HD1 ILE 3 -3.898 8.698 -5.507 34 3HD1 ILE 3 3HD1 ILE 3 -2.732 7.441 -5.095 35 H LYS 4 H LYS 4 -3.385 5.686 -2.302 36 HA LYS 4 HA LYS 4 -1.011 4.202 -2.927 37 1HB LYS 4 2HB LYS 4 -2.049 5.989 -0.761 38 2HB LYS 4 1HB LYS 4 -0.592 5.059 -0.424 39 1HG LYS 4 2HG LYS 4 0.076 7.180 -1.346 40 2HG LYS 4 1HG LYS 4 0.370 5.940 -2.566 41 1HD LYS 4 2HD LYS 4 -1.536 6.541 -3.802 42 2HD LYS 4 1HD LYS 4 -2.212 7.457 -2.458 43 1HE LYS 4 2HE LYS 4 -1.324 9.278 -3.543 44 2HE LYS 4 1HE LYS 4 0.212 8.726 -2.847 45 1HZ LYS 4 1HZ LYS 4 0.359 7.186 -4.811 46 2HZ LYS 4 2HZ LYS 4 0.556 8.836 -5.167 47 3HZ LYS 4 3HZ LYS 4 -0.917 8.060 -5.508 48 H ILE 5 H ILE 5 -3.679 3.742 -0.670 49 HA ILE 5 HA ILE 5 -2.708 1.697 0.972 50 HB ILE 5 HB ILE 5 -5.360 2.323 -0.329 51 1HG1 ILE 5 2HG1 ILE 5 -5.827 3.445 1.628 52 2HG1 ILE 5 1HG1 ILE 5 -4.862 2.363 2.586 53 1HG2 ILE 5 1HG2 ILE 5 -4.640 0.040 1.499 54 2HG2 ILE 5 2HG2 ILE 5 -5.656 0.023 0.058 55 3HG2 ILE 5 3HG2 ILE 5 -6.253 0.750 1.550 56 1HD1 ILE 5 1HD1 ILE 5 -3.835 4.584 0.820 57 2HD1 ILE 5 2HD1 ILE 5 -2.795 3.409 1.622 58 3HD1 ILE 5 3HD1 ILE 5 -3.770 4.518 2.577 59 H PHE 6 H PHE 6 -3.736 1.741 -2.363 60 HA PHE 6 HA PHE 6 -3.729 -1.158 -2.789 61 1HB PHE 6 2HB PHE 6 -4.910 0.675 -4.137 62 2HB PHE 6 1HB PHE 6 -3.328 1.072 -4.809 63 HD1 PHE 6 1HD PHE 6 -5.466 -1.951 -4.176 64 HD2 PHE 6 2HD PHE 6 -2.708 0.041 -6.798 65 HE1 PHE 6 1HE PHE 6 -5.694 -3.796 -5.817 66 HE2 PHE 6 2HE PHE 6 -2.936 -1.804 -8.439 67 HZ PHE 6 HZ PHE 6 -4.430 -3.723 -7.949 68 H PHE 7 H PHE 7 -1.439 1.499 -3.136 69 HA PHE 7 HA PHE 7 0.723 -0.246 -4.148 70 1HB PHE 7 2HB PHE 7 -0.027 2.464 -4.308 71 2HB PHE 7 1HB PHE 7 1.402 2.462 -3.272 72 HD1 PHE 7 1HD PHE 7 3.410 0.965 -4.111 73 HD2 PHE 7 2HD PHE 7 0.259 2.440 -6.630 74 HE1 PHE 7 1HE PHE 7 4.858 0.657 -6.102 75 HE2 PHE 7 2HE PHE 7 1.706 2.132 -8.620 76 HZ PHE 7 HZ PHE 7 4.006 1.240 -8.356 77 H GLN 8 H GLN 8 -0.017 1.722 -1.267 78 HA GLN 8 HA GLN 8 2.253 1.209 0.298 79 1HB GLN 8 2HB GLN 8 -0.676 1.428 1.048 80 2HB GLN 8 1HB GLN 8 0.651 1.579 2.184 81 1HG GLN 8 2HG GLN 8 1.586 3.401 0.664 82 2HG GLN 8 1HG GLN 8 0.003 3.428 -0.115 83 1HE2 GLN 8 1HE2 GLN 8 1.381 3.502 3.230 84 2HE2 GLN 8 2HE2 GLN 8 0.251 4.621 3.824 85 H ASN 9 H ASN 9 -0.563 -0.786 -0.363 86 HA ASN 9 HA ASN 9 -0.125 -2.892 1.507 87 1HB ASN 9 2HB ASN 9 -2.133 -2.477 0.053 88 2HB ASN 9 1HB ASN 9 -1.176 -3.013 -1.331 89 1HD2 ASN 9 1HD2 ASN 9 -3.367 -4.550 -0.947 90 2HD2 ASN 9 2HD2 ASN 9 -2.990 -6.023 -0.191 91 H ARG 10 H ARG 10 1.745 -1.785 -1.087 92 HA ARG 10 HA ARG 10 3.266 -4.353 -1.239 93 1HB ARG 10 2HB ARG 10 2.819 -2.322 -3.430 94 2HB ARG 10 1HB ARG 10 3.540 -3.923 -3.593 95 1HG ARG 10 2HG ARG 10 0.701 -3.436 -2.655 96 2HG ARG 10 1HG ARG 10 1.150 -3.811 -4.308 97 1HD ARG 10 2HD ARG 10 2.116 -5.959 -3.604 98 2HD ARG 10 1HD ARG 10 1.750 -5.580 -1.918 99 HE ARG 10 HE ARG 10 -0.292 -6.606 -2.532 100 1HH1 ARG 10 1HH1 ARG 10 -0.018 -6.870 -5.426 101 2HH1 ARG 10 2HH1 ARG 10 -1.186 -5.752 -6.046 102 1HH2 ARG 10 1HH2 ARG 10 -1.506 -4.019 -3.060 103 2HH2 ARG 10 2HH2 ARG 10 -2.029 -4.138 -4.707 104 H ARG 11 H ARG 11 3.428 -1.253 -0.063 105 HA ARG 11 HA ARG 11 6.294 -0.946 -0.835 106 1HB ARG 11 2HB ARG 11 5.828 1.290 -1.182 107 2HB ARG 11 1HB ARG 11 4.202 0.675 -1.430 108 1HG ARG 11 2HG ARG 11 3.635 2.194 0.104 109 2HG ARG 11 1HG ARG 11 4.235 1.025 1.262 110 1HD ARG 11 2HD ARG 11 5.721 3.383 0.067 111 2HD ARG 11 1HD ARG 11 5.296 3.127 1.759 112 HE ARG 11 HE ARG 11 7.106 1.237 0.350 113 1HH1 ARG 11 1HH1 ARG 11 5.940 2.060 3.342 114 2HH1 ARG 11 2HH1 ARG 11 7.481 2.220 4.116 115 1HH2 ARG 11 1HH2 ARG 11 9.283 2.006 1.161 116 2HH2 ARG 11 2HH2 ARG 11 9.374 2.190 2.881 117 H MET 12 H MET 12 3.867 -0.700 1.691 118 HA MET 12 HA MET 12 6.031 -0.463 3.736 119 1HB MET 12 2HB MET 12 3.812 -0.218 5.193 120 2HB MET 12 1HB MET 12 4.464 1.140 4.284 121 1HG MET 12 2HG MET 12 2.851 0.989 2.646 122 2HG MET 12 1HG MET 12 2.535 -0.707 2.979 123 1HE MET 12 1HE MET 12 -0.510 -0.738 4.432 124 2HE MET 12 2HE MET 12 0.459 -0.830 2.965 125 3HE MET 12 3HE MET 12 -0.609 0.548 3.222 126 H LYS 13 H LYS 13 3.418 -2.502 2.582 127 HA LYS 13 HA LYS 13 3.686 -4.517 4.669 128 1HB LYS 13 2HB LYS 13 2.651 -4.883 1.868 129 2HB LYS 13 1HB LYS 13 2.115 -5.699 3.333 130 1HG LYS 13 2HG LYS 13 1.518 -2.905 2.394 131 2HG LYS 13 1HG LYS 13 0.416 -4.161 2.917 132 1HD LYS 13 2HD LYS 13 2.348 -3.158 4.947 133 2HD LYS 13 1HD LYS 13 1.036 -2.080 4.471 134 1HE LYS 13 2HE LYS 13 -0.505 -3.318 5.591 135 2HE LYS 13 1HE LYS 13 0.130 -4.839 4.933 136 1HZ LYS 13 1HZ LYS 13 0.553 -4.754 7.293 137 2HZ LYS 13 2HZ LYS 13 1.316 -3.243 7.143 138 3HZ LYS 13 3HZ LYS 13 2.025 -4.627 6.458 139 H PHE 14 H PHE 14 5.401 -3.478 1.956 140 HA PHE 14 HA PHE 14 6.641 -5.948 1.092 141 1HB PHE 14 2HB PHE 14 6.307 -3.285 0.267 142 2HB PHE 14 1HB PHE 14 8.035 -3.429 0.575 143 HD1 PHE 14 1HD PHE 14 5.326 -5.574 -0.904 144 HD2 PHE 14 2HD PHE 14 9.322 -4.040 -1.265 145 HE1 PHE 14 1HE PHE 14 5.604 -6.802 -3.041 146 HE2 PHE 14 2HE PHE 14 9.600 -5.268 -3.402 147 HZ PHE 14 HZ PHE 14 7.741 -6.649 -4.290 148 H LYS 15 H LYS 15 7.049 -3.720 3.690 149 HA LYS 15 HA LYS 15 9.559 -5.114 4.484 150 1HB LYS 15 2HB LYS 15 10.363 -2.788 5.206 151 2HB LYS 15 1HB LYS 15 10.340 -3.093 3.474 152 1HG LYS 15 2HG LYS 15 7.775 -2.122 4.066 153 2HG LYS 15 1HG LYS 15 8.866 -1.127 5.025 154 1HD LYS 15 2HD LYS 15 9.094 -1.649 2.049 155 2HD LYS 15 1HD LYS 15 8.555 -0.147 2.800 156 1HE LYS 15 2HE LYS 15 10.703 0.381 3.605 157 2HE LYS 15 1HE LYS 15 11.263 -1.298 3.481 158 1HZ LYS 15 1HZ LYS 15 12.067 0.066 1.626 159 2HZ LYS 15 2HZ LYS 15 10.463 0.410 1.183 160 3HZ LYS 15 3HZ LYS 15 11.049 -1.182 1.092 161 H LYS 16 H LYS 16 6.493 -4.556 5.231 162 HA LYS 16 HA LYS 16 6.348 -3.426 7.763 163 1HB LYS 16 2HB LYS 16 4.236 -4.720 7.872 164 2HB LYS 16 1HB LYS 16 4.482 -3.956 6.299 165 1HG LYS 16 2HG LYS 16 3.758 -6.209 5.876 166 2HG LYS 16 1HG LYS 16 5.478 -6.137 5.497 167 1HD LYS 16 2HD LYS 16 6.017 -7.572 7.141 168 2HD LYS 16 1HD LYS 16 4.958 -6.770 8.302 169 1HE LYS 16 2HE LYS 16 3.315 -8.313 7.991 170 2HE LYS 16 1HE LYS 16 3.449 -8.193 6.225 171 1HZ LYS 16 1HZ LYS 16 5.246 -9.711 8.042 172 2HZ LYS 16 2HZ LYS 16 5.530 -9.485 6.382 173 3HZ LYS 16 3HZ LYS 16 4.174 -10.367 6.902 Start of MODEL 18 1 1H ARG 1 1HT ARG 1 -7.000 7.048 3.326 2 2H ARG 1 2HT ARG 1 -5.904 8.291 2.953 3 3H ARG 1 3HT ARG 1 -5.466 6.666 2.714 4 HA ARG 1 HA ARG 1 -7.748 7.902 1.280 5 1HB ARG 1 2HB ARG 1 -6.096 8.327 -0.531 6 2HB ARG 1 1HB ARG 1 -5.699 9.225 0.935 7 1HG ARG 1 2HG ARG 1 -4.079 7.466 1.570 8 2HG ARG 1 1HG ARG 1 -4.460 6.589 0.087 9 1HD ARG 1 2HD ARG 1 -2.426 7.925 -0.262 10 2HD ARG 1 1HD ARG 1 -3.744 8.624 -1.222 11 HE ARG 1 HE ARG 1 -4.059 10.285 0.618 12 1HH1 ARG 1 1HH1 ARG 1 -1.999 8.266 2.109 13 2HH1 ARG 1 2HH1 ARG 1 -0.724 9.404 2.389 14 1HH2 ARG 1 1HH2 ARG 1 -2.061 11.823 0.295 15 2HH2 ARG 1 2HH2 ARG 1 -0.758 11.417 1.363 16 H GLN 2 H GLN 2 -6.279 6.518 -1.088 17 HA GLN 2 HA GLN 2 -6.736 3.675 -0.378 18 1HB GLN 2 2HB GLN 2 -8.210 5.414 -2.302 19 2HB GLN 2 1HB GLN 2 -8.016 3.692 -2.602 20 1HG GLN 2 2HG GLN 2 -8.907 3.280 -0.267 21 2HG GLN 2 1HG GLN 2 -9.329 4.991 -0.217 22 1HE2 GLN 2 1HE2 GLN 2 -11.634 4.096 -0.042 23 2HE2 GLN 2 2HE2 GLN 2 -12.442 3.695 -1.480 24 H ILE 3 H ILE 3 -6.179 5.696 -3.281 25 HA ILE 3 HA ILE 3 -4.848 4.040 -4.922 26 HB ILE 3 HB ILE 3 -3.295 6.118 -5.323 27 1HG1 ILE 3 2HG1 ILE 3 -5.490 7.643 -4.109 28 2HG1 ILE 3 1HG1 ILE 3 -4.413 6.888 -2.945 29 1HG2 ILE 3 1HG2 ILE 3 -4.872 6.826 -6.861 30 2HG2 ILE 3 2HG2 ILE 3 -6.208 6.650 -5.723 31 3HG2 ILE 3 3HG2 ILE 3 -5.503 5.224 -6.482 32 1HD1 ILE 3 1HD1 ILE 3 -3.212 8.810 -3.288 33 2HD1 ILE 3 2HD1 ILE 3 -3.835 9.034 -4.922 34 3HD1 ILE 3 3HD1 ILE 3 -2.561 7.853 -4.619 35 H LYS 4 H LYS 4 -3.265 5.718 -2.217 36 HA LYS 4 HA LYS 4 -0.747 4.365 -2.567 37 1HB LYS 4 2HB LYS 4 -2.106 6.050 -0.486 38 2HB LYS 4 1HB LYS 4 -0.628 5.199 -0.045 39 1HG LYS 4 2HG LYS 4 -0.043 7.406 -0.850 40 2HG LYS 4 1HG LYS 4 0.479 6.212 -2.041 41 1HD LYS 4 2HD LYS 4 -1.305 6.693 -3.482 42 2HD LYS 4 1HD LYS 4 -2.215 7.501 -2.211 43 1HE LYS 4 2HE LYS 4 -1.387 9.408 -3.218 44 2HE LYS 4 1HE LYS 4 0.053 9.033 -2.251 45 1HZ LYS 4 1HZ LYS 4 0.859 7.647 -4.071 46 2HZ LYS 4 2HZ LYS 4 0.637 9.253 -4.585 47 3HZ LYS 4 3HZ LYS 4 -0.496 8.059 -5.006 48 H ILE 5 H ILE 5 -3.622 3.897 -0.605 49 HA ILE 5 HA ILE 5 -2.817 1.763 1.062 50 HB ILE 5 HB ILE 5 -5.446 2.167 -0.426 51 1HG1 ILE 5 2HG1 ILE 5 -5.218 4.240 0.580 52 2HG1 ILE 5 1HG1 ILE 5 -5.885 3.353 1.943 53 1HG2 ILE 5 1HG2 ILE 5 -4.834 0.057 1.100 54 2HG2 ILE 5 2HG2 ILE 5 -6.434 0.798 1.160 55 3HG2 ILE 5 3HG2 ILE 5 -5.238 1.182 2.398 56 1HD1 ILE 5 1HD1 ILE 5 -3.043 4.202 1.435 57 2HD1 ILE 5 2HD1 ILE 5 -3.384 2.844 2.506 58 3HD1 ILE 5 3HD1 ILE 5 -4.026 4.443 2.878 59 H PHE 6 H PHE 6 -3.555 1.943 -2.332 60 HA PHE 6 HA PHE 6 -3.624 -0.969 -2.762 61 1HB PHE 6 2HB PHE 6 -4.249 1.424 -4.164 62 2HB PHE 6 1HB PHE 6 -2.982 0.632 -5.098 63 HD1 PHE 6 1HD PHE 6 -3.671 -0.901 -6.704 64 HD2 PHE 6 2HD PHE 6 -6.079 -0.325 -3.194 65 HE1 PHE 6 1HE PHE 6 -5.329 -2.526 -7.576 66 HE2 PHE 6 2HE PHE 6 -7.737 -1.951 -4.066 67 HZ PHE 6 HZ PHE 6 -7.362 -3.051 -6.257 68 H PHE 7 H PHE 7 -1.287 1.661 -2.925 69 HA PHE 7 HA PHE 7 0.903 -0.097 -3.887 70 1HB PHE 7 2HB PHE 7 0.205 2.597 -4.108 71 2HB PHE 7 1HB PHE 7 1.501 2.617 -2.912 72 HD1 PHE 7 1HD PHE 7 3.433 0.731 -3.596 73 HD2 PHE 7 2HD PHE 7 0.946 2.980 -6.281 74 HE1 PHE 7 1HE PHE 7 5.109 0.431 -5.400 75 HE2 PHE 7 2HE PHE 7 2.621 2.681 -8.084 76 HZ PHE 7 HZ PHE 7 4.703 1.405 -7.644 77 H GLN 8 H GLN 8 -0.023 1.784 -1.008 78 HA GLN 8 HA GLN 8 2.174 1.243 0.674 79 1HB GLN 8 2HB GLN 8 -0.796 1.517 1.202 80 2HB GLN 8 1HB GLN 8 0.423 1.540 2.467 81 1HG GLN 8 2HG GLN 8 1.568 3.392 1.106 82 2HG GLN 8 1HG GLN 8 0.035 3.551 0.244 83 1HE2 GLN 8 1HE2 GLN 8 1.233 5.555 2.083 84 2HE2 GLN 8 2HE2 GLN 8 0.120 5.764 3.348 85 H ASN 9 H ASN 9 -0.681 -0.671 -0.101 86 HA ASN 9 HA ASN 9 -0.278 -2.828 1.719 87 1HB ASN 9 2HB ASN 9 -2.300 -2.285 0.298 88 2HB ASN 9 1HB ASN 9 -1.393 -2.876 -1.098 89 1HD2 ASN 9 1HD2 ASN 9 -3.114 -3.863 1.812 90 2HD2 ASN 9 2HD2 ASN 9 -3.019 -5.534 1.527 91 H ARG 10 H ARG 10 1.551 -1.762 -0.936 92 HA ARG 10 HA ARG 10 3.001 -4.360 -1.082 93 1HB ARG 10 2HB ARG 10 3.150 -2.910 -3.558 94 2HB ARG 10 1HB ARG 10 2.436 -4.498 -3.266 95 1HG ARG 10 2HG ARG 10 0.347 -3.362 -2.514 96 2HG ARG 10 1HG ARG 10 1.085 -1.822 -2.906 97 1HD ARG 10 2HD ARG 10 0.383 -2.062 -5.048 98 2HD ARG 10 1HD ARG 10 1.404 -3.494 -5.194 99 HE ARG 10 HE ARG 10 -1.360 -3.627 -5.107 100 1HH1 ARG 10 1HH2 ARG 10 0.993 -5.778 -5.000 101 2HH1 ARG 10 2HH2 ARG 10 0.328 -6.827 -3.793 102 1HH2 ARG 10 1HH1 ARG 10 -2.117 -4.574 -2.804 103 2HH2 ARG 10 2HH1 ARG 10 -1.433 -6.145 -2.550 104 H ARG 11 H ARG 11 3.303 -1.243 -0.067 105 HA ARG 11 HA ARG 11 6.123 -1.054 -1.036 106 1HB ARG 11 2HB ARG 11 5.752 1.217 -1.357 107 2HB ARG 11 1HB ARG 11 4.128 0.615 -1.636 108 1HG ARG 11 2HG ARG 11 3.482 2.091 -0.112 109 2HG ARG 11 1HG ARG 11 4.184 1.023 1.086 110 1HD ARG 11 2HD ARG 11 5.559 3.346 -0.304 111 2HD ARG 11 1HD ARG 11 5.099 3.258 1.397 112 HE ARG 11 HE ARG 11 6.986 1.274 0.246 113 1HH1 ARG 11 1HH2 ARG 11 5.768 2.506 3.089 114 2HH1 ARG 11 2HH2 ARG 11 7.300 2.776 3.849 115 1HH2 ARG 11 1HH1 ARG 11 9.138 2.135 0.983 116 2HH2 ARG 11 2HH1 ARG 11 9.205 2.569 2.657 117 H MET 12 H MET 12 3.888 -0.664 1.629 118 HA MET 12 HA MET 12 6.188 -0.416 3.521 119 1HB MET 12 2HB MET 12 4.096 -0.058 5.112 120 2HB MET 12 1HB MET 12 4.675 1.252 4.092 121 1HG MET 12 2HG MET 12 2.920 1.057 2.626 122 2HG MET 12 1HG MET 12 2.688 -0.642 2.985 123 1HE MET 12 1HE MET 12 1.539 2.870 5.721 124 2HE MET 12 2HE MET 12 2.107 3.022 4.060 125 3HE MET 12 3HE MET 12 3.193 2.404 5.301 126 H LYS 13 H LYS 13 3.416 -2.390 2.622 127 HA LYS 13 HA LYS 13 3.753 -4.351 4.742 128 1HB LYS 13 2HB LYS 13 2.531 -4.765 2.024 129 2HB LYS 13 1HB LYS 13 2.068 -5.527 3.540 130 1HG LYS 13 2HG LYS 13 1.460 -2.767 2.538 131 2HG LYS 13 1HG LYS 13 0.384 -3.965 3.216 132 1HD LYS 13 2HD LYS 13 2.508 -2.790 4.972 133 2HD LYS 13 1HD LYS 13 1.052 -1.853 4.624 134 1HE LYS 13 2HE LYS 13 0.257 -3.018 6.454 135 2HE LYS 13 1HE LYS 13 -0.068 -4.259 5.226 136 1HZ LYS 13 1HZ LYS 13 2.527 -4.001 6.642 137 2HZ LYS 13 2HZ LYS 13 2.018 -5.275 5.640 138 3HZ LYS 13 3HZ LYS 13 1.291 -5.042 7.158 139 H PHE 14 H PHE 14 5.292 -3.493 1.851 140 HA PHE 14 HA PHE 14 6.383 -6.037 1.016 141 1HB PHE 14 2HB PHE 14 6.104 -3.398 0.103 142 2HB PHE 14 1HB PHE 14 7.841 -3.590 0.325 143 HD1 PHE 14 1HD PHE 14 4.958 -5.624 -0.973 144 HD2 PHE 14 2HD PHE 14 9.038 -4.388 -1.503 145 HE1 PHE 14 1HE PHE 14 5.087 -6.945 -3.068 146 HE2 PHE 14 2HE PHE 14 9.166 -5.709 -3.598 147 HZ PHE 14 HZ PHE 14 7.190 -6.988 -4.380 148 H LYS 15 H LYS 15 7.071 -3.712 3.477 149 HA LYS 15 HA LYS 15 9.553 -5.204 4.174 150 1HB LYS 15 2HB LYS 15 10.519 -2.884 4.727 151 2HB LYS 15 1HB LYS 15 10.387 -3.291 3.019 152 1HG LYS 15 2HG LYS 15 7.910 -2.146 3.682 153 2HG LYS 15 1HG LYS 15 9.102 -1.157 4.515 154 1HD LYS 15 2HD LYS 15 9.049 -1.834 1.566 155 2HD LYS 15 1HD LYS 15 8.782 -0.251 2.295 156 1HE LYS 15 2HE LYS 15 11.254 -0.995 3.330 157 2HE LYS 15 1HE LYS 15 11.315 -1.576 1.654 158 1HZ LYS 15 1HZ LYS 15 10.571 1.151 2.567 159 2HZ LYS 15 2HZ LYS 15 10.406 0.603 0.967 160 3HZ LYS 15 3HZ LYS 15 11.947 0.721 1.674 161 H LYS 16 H LYS 16 6.588 -4.468 5.102 162 HA LYS 16 HA LYS 16 6.661 -3.187 7.561 163 1HB LYS 16 2HB LYS 16 4.523 -4.390 7.900 164 2HB LYS 16 1HB LYS 16 4.681 -3.741 6.266 165 1HG LYS 16 2HG LYS 16 3.852 -5.992 6.057 166 2HG LYS 16 1HG LYS 16 5.538 -6.003 5.540 167 1HD LYS 16 2HD LYS 16 6.175 -7.330 7.244 168 2HD LYS 16 1HD LYS 16 5.207 -6.436 8.417 169 1HE LYS 16 2HE LYS 16 3.309 -7.758 8.058 170 2HE LYS 16 1HE LYS 16 3.816 -8.213 6.418 171 1HZ LYS 16 1HZ LYS 16 5.680 -9.431 7.386 172 2HZ LYS 16 2HZ LYS 16 4.197 -10.039 7.950 173 3HZ LYS 16 3HZ LYS 16 5.145 -9.041 8.946 Start of MODEL 19 1 1H ARG 1 1HT ARG 1 -5.380 10.065 2.455 2 2H ARG 1 2HT ARG 1 -5.221 8.441 2.925 3 3H ARG 1 3HT ARG 1 -6.749 9.180 2.920 4 HA ARG 1 HA ARG 1 -6.914 9.166 0.610 5 1HB ARG 1 2HB ARG 1 -4.903 8.969 -0.782 6 2HB ARG 1 1HB ARG 1 -4.658 10.233 0.426 7 1HG ARG 1 2HG ARG 1 -3.558 8.449 1.879 8 2HG ARG 1 1HG ARG 1 -3.574 7.408 0.456 9 1HD ARG 1 2HD ARG 1 -1.440 8.455 0.374 10 2HD ARG 1 1HD ARG 1 -2.422 9.421 -0.745 11 HE ARG 1 HE ARG 1 -2.788 11.031 1.130 12 1HH1 ARG 1 1HH1 ARG 1 0.232 9.889 0.521 13 2HH1 ARG 1 2HH1 ARG 1 0.903 10.220 2.083 14 1HH2 ARG 1 1HH2 ARG 1 -2.160 10.934 3.542 15 2HH2 ARG 1 2HH2 ARG 1 -0.451 10.811 3.793 16 H GLN 2 H GLN 2 -6.205 7.183 -1.032 17 HA GLN 2 HA GLN 2 -6.028 4.663 0.513 18 1HB GLN 2 2HB GLN 2 -8.234 5.665 -1.249 19 2HB GLN 2 1HB GLN 2 -7.955 3.948 -1.001 20 1HG GLN 2 2HG GLN 2 -8.053 4.362 1.482 21 2HG GLN 2 1HG GLN 2 -8.571 6.009 1.120 22 1HE2 GLN 2 1HE2 GLN 2 -10.711 6.303 0.153 23 2HE2 GLN 2 2HE2 GLN 2 -11.860 5.055 0.164 24 H ILE 3 H ILE 3 -6.180 6.158 -2.730 25 HA ILE 3 HA ILE 3 -5.485 4.181 -4.423 26 HB ILE 3 HB ILE 3 -3.800 5.965 -5.361 27 1HG1 ILE 3 2HG1 ILE 3 -5.424 7.902 -3.879 28 2HG1 ILE 3 1HG1 ILE 3 -4.259 7.050 -2.879 29 1HG2 ILE 3 1HG2 ILE 3 -6.621 6.931 -5.186 30 2HG2 ILE 3 2HG2 ILE 3 -6.322 5.355 -5.918 31 3HG2 ILE 3 3HG2 ILE 3 -5.568 6.799 -6.595 32 1HD1 ILE 3 1HD1 ILE 3 -2.615 7.578 -4.866 33 2HD1 ILE 3 2HD1 ILE 3 -2.947 8.800 -3.638 34 3HD1 ILE 3 3HD1 ILE 3 -3.765 8.872 -5.200 35 H LYS 4 H LYS 4 -3.251 5.713 -2.157 36 HA LYS 4 HA LYS 4 -0.948 4.177 -2.907 37 1HB LYS 4 2HB LYS 4 -1.855 5.953 -0.681 38 2HB LYS 4 1HB LYS 4 -0.429 4.960 -0.391 39 1HG LYS 4 2HG LYS 4 0.299 7.068 -1.302 40 2HG LYS 4 1HG LYS 4 0.523 5.829 -2.539 41 1HD LYS 4 2HD LYS 4 -1.431 6.497 -3.704 42 2HD LYS 4 1HD LYS 4 -1.971 7.490 -2.354 43 1HE LYS 4 2HE LYS 4 0.499 8.019 -4.053 44 2HE LYS 4 1HE LYS 4 -1.019 8.933 -4.122 45 1HZ LYS 4 1HZ LYS 4 -0.656 9.116 -1.573 46 2HZ LYS 4 2HZ LYS 4 0.192 10.157 -2.610 47 3HZ LYS 4 3HZ LYS 4 0.966 8.797 -1.950 48 H ILE 5 H ILE 5 -3.584 3.708 -0.623 49 HA ILE 5 HA ILE 5 -2.634 1.593 0.946 50 HB ILE 5 HB ILE 5 -5.288 2.326 -0.286 51 1HG1 ILE 5 2HG1 ILE 5 -5.688 3.396 1.715 52 2HG1 ILE 5 1HG1 ILE 5 -4.739 2.255 2.617 53 1HG2 ILE 5 1HG2 ILE 5 -4.651 0.027 1.576 54 2HG2 ILE 5 2HG2 ILE 5 -5.501 -0.039 0.032 55 3HG2 ILE 5 3HG2 ILE 5 -6.269 0.713 1.429 56 1HD1 ILE 5 1HD1 ILE 5 -3.583 4.376 2.663 57 2HD1 ILE 5 2HD1 ILE 5 -3.675 4.504 0.911 58 3HD1 ILE 5 3HD1 ILE 5 -2.657 3.271 1.654 59 H PHE 6 H PHE 6 -3.717 1.765 -2.367 60 HA PHE 6 HA PHE 6 -3.801 -1.114 -2.882 61 1HB PHE 6 2HB PHE 6 -4.635 1.153 -4.159 62 2HB PHE 6 1HB PHE 6 -3.161 0.806 -5.065 63 HD1 PHE 6 1HD PHE 6 -6.548 -0.336 -4.244 64 HD2 PHE 6 2HD PHE 6 -2.906 -1.312 -6.304 65 HE1 PHE 6 1HE PHE 6 -7.731 -2.127 -5.486 66 HE2 PHE 6 2HE PHE 6 -4.089 -3.104 -7.546 67 HZ PHE 6 HZ PHE 6 -6.501 -3.511 -7.137 68 H PHE 7 H PHE 7 -1.418 1.473 -3.202 69 HA PHE 7 HA PHE 7 0.696 -0.352 -4.190 70 1HB PHE 7 2HB PHE 7 0.066 2.469 -4.128 71 2HB PHE 7 1HB PHE 7 1.649 2.222 -3.390 72 HD1 PHE 7 1HD PHE 7 -0.020 0.283 -6.127 73 HD2 PHE 7 2HD PHE 7 3.194 2.919 -5.038 74 HE1 PHE 7 1HE PHE 7 0.980 -0.004 -8.379 75 HE2 PHE 7 2HE PHE 7 4.193 2.630 -7.288 76 HZ PHE 7 HZ PHE 7 3.086 1.168 -8.958 77 H GLN 8 H GLN 8 0.165 1.743 -1.327 78 HA GLN 8 HA GLN 8 2.334 1.076 0.271 79 1HB GLN 8 2HB GLN 8 -0.609 1.346 0.977 80 2HB GLN 8 1HB GLN 8 0.700 1.431 2.145 81 1HG GLN 8 2HG GLN 8 1.706 3.292 0.760 82 2HG GLN 8 1HG GLN 8 0.199 3.333 -0.155 83 1HE2 GLN 8 1HE2 GLN 8 0.785 5.648 1.206 84 2HE2 GLN 8 2HE2 GLN 8 -0.187 5.805 2.589 85 H ASN 9 H ASN 9 -0.524 -0.847 -0.474 86 HA ASN 9 HA ASN 9 -0.167 -3.019 1.343 87 1HB ASN 9 2HB ASN 9 -2.153 -2.540 -0.107 88 2HB ASN 9 1HB ASN 9 -1.194 -3.011 -1.515 89 1HD2 ASN 9 1HD2 ASN 9 -2.353 -4.946 -2.044 90 2HD2 ASN 9 2HD2 ASN 9 -2.414 -6.293 -1.013 91 H ARG 10 H ARG 10 1.765 -1.898 -1.199 92 HA ARG 10 HA ARG 10 3.235 -4.482 -1.376 93 1HB ARG 10 2HB ARG 10 3.434 -2.626 -3.656 94 2HB ARG 10 1HB ARG 10 3.148 -4.367 -3.656 95 1HG ARG 10 2HG ARG 10 0.777 -3.690 -2.756 96 2HG ARG 10 1HG ARG 10 1.187 -2.123 -3.413 97 1HD ARG 10 2HD ARG 10 -0.031 -3.513 -5.087 98 2HD ARG 10 1HD ARG 10 1.608 -3.143 -5.631 99 HE ARG 10 HE ARG 10 1.666 -5.510 -5.751 100 1HH1 ARG 10 1HH2 ARG 10 -0.831 -5.495 -3.784 101 2HH1 ARG 10 2HH2 ARG 10 -0.214 -6.562 -2.567 102 1HH2 ARG 10 1HH1 ARG 10 3.051 -6.424 -3.726 103 2HH2 ARG 10 2HH1 ARG 10 1.984 -7.088 -2.535 104 H ARG 11 H ARG 11 3.372 -1.349 -0.276 105 HA ARG 11 HA ARG 11 6.295 -1.044 -0.820 106 1HB ARG 11 2HB ARG 11 4.517 1.133 0.223 107 2HB ARG 11 1HB ARG 11 5.880 1.255 -0.885 108 1HG ARG 11 2HG ARG 11 3.964 -0.328 -2.174 109 2HG ARG 11 1HG ARG 11 3.085 1.007 -1.465 110 1HD ARG 11 2HD ARG 11 5.541 1.276 -3.225 111 2HD ARG 11 1HD ARG 11 3.876 1.623 -3.710 112 HE ARG 11 HE ARG 11 5.090 3.017 -1.384 113 1HH1 ARG 11 1HH2 ARG 11 5.565 4.070 -4.243 114 2HH1 ARG 11 2HH2 ARG 11 4.335 5.286 -4.341 115 1HH2 ARG 11 1HH1 ARG 11 2.598 4.126 -1.573 116 2HH2 ARG 11 2HH1 ARG 11 2.656 5.317 -2.828 117 H MET 12 H MET 12 3.758 -0.412 1.559 118 HA MET 12 HA MET 12 5.742 -0.315 3.742 119 1HB MET 12 2HB MET 12 3.580 -0.121 5.124 120 2HB MET 12 1HB MET 12 3.956 1.195 4.020 121 1HG MET 12 2HG MET 12 2.347 0.531 2.498 122 2HG MET 12 1HG MET 12 2.297 -1.113 3.123 123 1HE MET 12 1HE MET 12 0.061 -0.987 2.765 124 2HE MET 12 2HE MET 12 -0.848 0.508 2.978 125 3HE MET 12 3HE MET 12 -1.044 -0.807 4.135 126 H LYS 13 H LYS 13 3.298 -2.527 2.513 127 HA LYS 13 HA LYS 13 3.616 -4.488 4.635 128 1HB LYS 13 2HB LYS 13 2.685 -4.953 1.812 129 2HB LYS 13 1HB LYS 13 2.159 -5.784 3.272 130 1HG LYS 13 2HG LYS 13 1.440 -3.031 2.297 131 2HG LYS 13 1HG LYS 13 0.388 -4.341 2.788 132 1HD LYS 13 2HD LYS 13 2.216 -3.140 4.833 133 2HD LYS 13 1HD LYS 13 0.753 -2.270 4.370 134 1HE LYS 13 2HE LYS 13 -0.236 -3.581 5.971 135 2HE LYS 13 1HE LYS 13 -0.209 -4.830 4.710 136 1HZ LYS 13 1HZ LYS 13 2.030 -5.442 5.446 137 2HZ LYS 13 2HZ LYS 13 0.893 -5.639 6.693 138 3HZ LYS 13 3HZ LYS 13 1.939 -4.301 6.697 139 H PHE 14 H PHE 14 5.377 -3.449 1.947 140 HA PHE 14 HA PHE 14 6.753 -5.905 1.236 141 1HB PHE 14 2HB PHE 14 6.287 -3.332 0.246 142 2HB PHE 14 1HB PHE 14 8.013 -3.337 0.606 143 HD1 PHE 14 1HD PHE 14 5.441 -5.632 -0.891 144 HD2 PHE 14 2HD PHE 14 9.445 -4.089 -1.071 145 HE1 PHE 14 1HE PHE 14 5.864 -6.970 -2.935 146 HE2 PHE 14 2HE PHE 14 9.869 -5.427 -3.116 147 HZ PHE 14 HZ PHE 14 8.078 -6.868 -4.048 148 H LYS 15 H LYS 15 6.976 -3.535 3.720 149 HA LYS 15 HA LYS 15 9.549 -4.735 4.630 150 1HB LYS 15 2HB LYS 15 10.181 -2.325 5.276 151 2HB LYS 15 1HB LYS 15 10.250 -2.722 3.562 152 1HG LYS 15 2HG LYS 15 7.606 -1.883 4.004 153 2HG LYS 15 1HG LYS 15 8.597 -0.770 4.938 154 1HD LYS 15 2HD LYS 15 9.000 -1.457 2.016 155 2HD LYS 15 1HD LYS 15 8.299 0.041 2.630 156 1HE LYS 15 2HE LYS 15 10.651 -0.049 4.044 157 2HE LYS 15 1HE LYS 15 11.137 -0.771 2.496 158 1HZ LYS 15 1HZ LYS 15 9.533 1.719 2.735 159 2HZ LYS 15 2HZ LYS 15 10.195 1.058 1.317 160 3HZ LYS 15 3HZ LYS 15 11.214 1.703 2.512 161 H LYS 16 H LYS 16 6.431 -4.293 5.276 162 HA LYS 16 HA LYS 16 6.127 -3.078 7.739 163 1HB LYS 16 2HB LYS 16 4.132 -4.550 7.873 164 2HB LYS 16 1HB LYS 16 4.352 -3.842 6.271 165 1HG LYS 16 2HG LYS 16 3.830 -6.174 5.958 166 2HG LYS 16 1HG LYS 16 5.539 -5.957 5.583 167 1HD LYS 16 2HD LYS 16 6.203 -7.240 7.312 168 2HD LYS 16 1HD LYS 16 5.032 -6.511 8.413 169 1HE LYS 16 2HE LYS 16 3.233 -7.913 7.418 170 2HE LYS 16 1HE LYS 16 4.437 -8.676 6.360 171 1HZ LYS 16 1HZ LYS 16 4.117 -9.952 8.408 172 2HZ LYS 16 2HZ LYS 16 4.567 -8.597 9.328 173 3HZ LYS 16 3HZ LYS 16 5.696 -9.342 8.301 Start of MODEL 20 1 1H ARG 1 1HT ARG 1 -4.893 7.732 0.151 2 2H ARG 1 2HT ARG 1 -4.227 7.566 1.702 3 3H ARG 1 3HT ARG 1 -4.984 9.018 1.252 4 HA ARG 1 HA ARG 1 -6.300 7.423 2.734 5 1HB ARG 1 2HB ARG 1 -8.348 8.110 1.485 6 2HB ARG 1 1HB ARG 1 -7.176 9.423 1.626 7 1HG ARG 1 2HG ARG 1 -6.311 8.788 -0.657 8 2HG ARG 1 1HG ARG 1 -7.659 7.658 -0.791 9 1HD ARG 1 2HD ARG 1 -8.054 10.606 -0.193 10 2HD ARG 1 1HD ARG 1 -8.095 9.936 -1.836 11 HE ARG 1 HE ARG 1 -9.990 9.194 0.351 12 1HH1 ARG 1 1HH2 ARG 1 -10.745 10.659 -2.224 13 2HH1 ARG 1 2HH2 ARG 1 -11.439 9.367 -3.146 14 1HH2 ARG 1 1HH1 ARG 1 -10.115 6.868 -1.140 15 2HH2 ARG 1 2HH1 ARG 1 -11.082 7.221 -2.533 16 H GLN 2 H GLN 2 -5.989 6.569 -0.718 17 HA GLN 2 HA GLN 2 -6.556 3.751 -0.027 18 1HB GLN 2 2HB GLN 2 -8.097 5.590 -1.808 19 2HB GLN 2 1HB GLN 2 -8.064 3.853 -2.071 20 1HG GLN 2 2HG GLN 2 -8.677 3.643 0.419 21 2HG GLN 2 1HG GLN 2 -9.115 5.347 0.316 22 1HE2 GLN 2 1HE2 GLN 2 -10.162 5.304 -2.390 23 2HE2 GLN 2 2HE2 GLN 2 -11.594 4.391 -2.373 24 H ILE 3 H ILE 3 -6.200 5.814 -2.933 25 HA ILE 3 HA ILE 3 -5.085 4.131 -4.714 26 HB ILE 3 HB ILE 3 -3.533 6.178 -5.252 27 1HG1 ILE 3 2HG1 ILE 3 -5.561 7.744 -3.824 28 2HG1 ILE 3 1HG1 ILE 3 -4.399 6.953 -2.772 29 1HG2 ILE 3 1HG2 ILE 3 -6.476 5.787 -5.489 30 2HG2 ILE 3 2HG2 ILE 3 -5.254 5.909 -6.754 31 3HG2 ILE 3 3HG2 ILE 3 -5.829 7.364 -5.940 32 1HD1 ILE 3 1HD1 ILE 3 -2.687 7.886 -4.602 33 2HD1 ILE 3 2HD1 ILE 3 -3.192 8.854 -3.217 34 3HD1 ILE 3 3HD1 ILE 3 -3.956 9.097 -4.789 35 H LYS 4 H LYS 4 -3.251 5.740 -2.135 36 HA LYS 4 HA LYS 4 -0.783 4.374 -2.708 37 1HB LYS 4 2HB LYS 4 -1.962 6.017 -0.487 38 2HB LYS 4 1HB LYS 4 -0.453 5.156 -0.191 39 1HG LYS 4 2HG LYS 4 0.082 7.372 -0.986 40 2HG LYS 4 1HG LYS 4 0.473 6.216 -2.262 41 1HD LYS 4 2HD LYS 4 -1.406 6.777 -3.523 42 2HD LYS 4 1HD LYS 4 -2.226 7.494 -2.140 43 1HE LYS 4 2HE LYS 4 0.364 8.695 -3.103 44 2HE LYS 4 1HE LYS 4 -1.157 9.102 -3.921 45 1HZ LYS 4 1HZ LYS 4 -2.109 9.550 -1.688 46 2HZ LYS 4 2HZ LYS 4 -0.866 10.625 -2.119 47 3HZ LYS 4 3HZ LYS 4 -0.561 9.363 -1.022 48 H ILE 5 H ILE 5 -3.486 3.896 -0.524 49 HA ILE 5 HA ILE 5 -2.571 1.708 1.015 50 HB ILE 5 HB ILE 5 -5.319 2.218 -0.202 51 1HG1 ILE 5 2HG1 ILE 5 -4.933 4.250 0.840 52 2HG1 ILE 5 1HG1 ILE 5 -5.494 3.336 2.231 53 1HG2 ILE 5 1HG2 ILE 5 -6.108 1.143 1.912 54 2HG2 ILE 5 2HG2 ILE 5 -4.431 0.814 2.347 55 3HG2 ILE 5 3HG2 ILE 5 -5.140 0.047 0.926 56 1HD1 ILE 5 1HD1 ILE 5 -2.677 4.098 1.474 57 2HD1 ILE 5 2HD1 ILE 5 -2.978 2.737 2.554 58 3HD1 ILE 5 3HD1 ILE 5 -3.511 4.355 3.006 59 H PHE 6 H PHE 6 -3.623 1.984 -2.287 60 HA PHE 6 HA PHE 6 -3.860 -0.899 -2.790 61 1HB PHE 6 2HB PHE 6 -4.347 1.591 -4.113 62 2HB PHE 6 1HB PHE 6 -3.243 0.671 -5.135 63 HD1 PHE 6 1HD PHE 6 -3.850 -1.790 -5.635 64 HD2 PHE 6 2HD PHE 6 -6.644 1.071 -4.067 65 HE1 PHE 6 1HE PHE 6 -5.733 -3.219 -6.384 66 HE2 PHE 6 2HE PHE 6 -8.527 -0.357 -4.816 67 HZ PHE 6 HZ PHE 6 -8.071 -2.502 -5.975 68 H PHE 7 H PHE 7 -1.385 1.589 -3.032 69 HA PHE 7 HA PHE 7 0.645 -0.305 -4.086 70 1HB PHE 7 2HB PHE 7 0.112 2.533 -4.070 71 2HB PHE 7 1HB PHE 7 1.688 2.251 -3.332 72 HD1 PHE 7 1HD PHE 7 2.776 -0.036 -4.726 73 HD2 PHE 7 2HD PHE 7 0.426 3.205 -6.284 74 HE1 PHE 7 1HE PHE 7 3.754 -0.407 -6.974 75 HE2 PHE 7 2HE PHE 7 1.404 2.833 -8.532 76 HZ PHE 7 HZ PHE 7 3.068 1.027 -8.878 77 H GLN 8 H GLN 8 0.221 1.859 -1.251 78 HA GLN 8 HA GLN 8 2.377 1.149 0.338 79 1HB GLN 8 2HB GLN 8 -0.554 1.524 1.047 80 2HB GLN 8 1HB GLN 8 0.752 1.555 2.221 81 1HG GLN 8 2HG GLN 8 1.827 3.359 0.744 82 2HG GLN 8 1HG GLN 8 0.245 3.510 -0.025 83 1HE2 GLN 8 1HE2 GLN 8 1.718 5.445 1.806 84 2HE2 GLN 8 2HE2 GLN 8 0.632 5.751 3.074 85 H ASN 9 H ASN 9 -0.541 -0.696 -0.362 86 HA ASN 9 HA ASN 9 -0.235 -2.862 1.474 87 1HB ASN 9 2HB ASN 9 -2.223 -2.318 0.044 88 2HB ASN 9 1HB ASN 9 -1.303 -2.846 -1.368 89 1HD2 ASN 9 1HD2 ASN 9 -1.824 -4.202 1.947 90 2HD2 ASN 9 2HD2 ASN 9 -2.229 -5.757 1.399 91 H ARG 10 H ARG 10 1.703 -1.836 -1.105 92 HA ARG 10 HA ARG 10 3.080 -4.470 -1.263 93 1HB ARG 10 2HB ARG 10 3.273 -2.730 -3.622 94 2HB ARG 10 1HB ARG 10 2.880 -4.448 -3.533 95 1HG ARG 10 2HG ARG 10 0.588 -3.611 -2.601 96 2HG ARG 10 1HG ARG 10 1.066 -2.078 -3.293 97 1HD ARG 10 2HD ARG 10 0.003 -2.972 -5.148 98 2HD ARG 10 1HD ARG 10 1.606 -3.664 -5.408 99 HE ARG 10 HE ARG 10 -0.546 -5.279 -5.087 100 1HH1 ARG 10 1HH1 ARG 10 2.220 -6.389 -4.958 101 2HH1 ARG 10 2HH1 ARG 10 2.244 -7.139 -3.397 102 1HH2 ARG 10 1HH2 ARG 10 -0.565 -5.460 -2.253 103 2HH2 ARG 10 2HH2 ARG 10 0.667 -6.613 -1.866 104 H ARG 11 H ARG 11 3.354 -1.315 -0.265 105 HA ARG 11 HA ARG 11 6.260 -1.117 -0.947 106 1HB ARG 11 2HB ARG 11 4.637 1.153 0.143 107 2HB ARG 11 1HB ARG 11 5.929 1.189 -1.055 108 1HG ARG 11 2HG ARG 11 3.887 -0.316 -2.209 109 2HG ARG 11 1HG ARG 11 3.083 1.028 -1.433 110 1HD ARG 11 2HD ARG 11 5.401 1.254 -3.375 111 2HD ARG 11 1HD ARG 11 3.715 1.674 -3.710 112 HE ARG 11 HE ARG 11 5.202 2.983 -1.492 113 1HH1 ARG 11 1HH1 ARG 11 4.818 3.672 -4.652 114 2HH1 ARG 11 2HH1 ARG 11 3.848 5.093 -4.456 115 1HH2 ARG 11 1HH2 ARG 11 3.272 4.558 -1.079 116 2HH2 ARG 11 2HH2 ARG 11 2.972 5.595 -2.434 117 H MET 12 H MET 12 3.859 -0.363 1.531 118 HA MET 12 HA MET 12 5.950 -0.326 3.620 119 1HB MET 12 2HB MET 12 3.869 0.023 5.090 120 2HB MET 12 1HB MET 12 4.267 1.292 3.939 121 1HG MET 12 2HG MET 12 2.549 0.701 2.516 122 2HG MET 12 1HG MET 12 2.448 -0.934 3.161 123 1HE MET 12 1HE MET 12 0.858 2.985 4.505 124 2HE MET 12 2HE MET 12 2.436 2.605 3.822 125 3HE MET 12 3HE MET 12 2.218 2.606 5.570 126 H LYS 13 H LYS 13 3.319 -2.405 2.543 127 HA LYS 13 HA LYS 13 3.610 -4.350 4.680 128 1HB LYS 13 2HB LYS 13 2.558 -4.803 1.896 129 2HB LYS 13 1HB LYS 13 2.048 -5.594 3.383 130 1HG LYS 13 2HG LYS 13 1.417 -2.827 2.400 131 2HG LYS 13 1HG LYS 13 0.328 -4.077 2.955 132 1HD LYS 13 2HD LYS 13 2.292 -2.920 4.901 133 2HD LYS 13 1HD LYS 13 0.846 -2.000 4.484 134 1HE LYS 13 2HE LYS 13 -0.421 -3.319 5.819 135 2HE LYS 13 1HE LYS 13 0.153 -4.777 4.986 136 1HZ LYS 13 1HZ LYS 13 0.810 -4.607 7.387 137 2HZ LYS 13 2HZ LYS 13 1.789 -3.285 6.962 138 3HZ LYS 13 3HZ LYS 13 2.100 -4.822 6.307 139 H PHE 14 H PHE 14 5.333 -3.447 1.920 140 HA PHE 14 HA PHE 14 6.551 -5.978 1.192 141 1HB PHE 14 2HB PHE 14 6.205 -3.384 0.199 142 2HB PHE 14 1HB PHE 14 7.936 -3.490 0.507 143 HD1 PHE 14 1HD PHE 14 9.163 -4.103 -1.375 144 HD2 PHE 14 2HD PHE 14 5.295 -5.860 -0.736 145 HE1 PHE 14 1HE PHE 14 9.444 -5.468 -3.426 146 HE2 PHE 14 2HE PHE 14 5.577 -7.224 -2.788 147 HZ PHE 14 HZ PHE 14 7.652 -7.028 -4.134 148 H LYS 15 H LYS 15 6.979 -3.606 3.648 149 HA LYS 15 HA LYS 15 9.507 -4.940 4.494 150 1HB LYS 15 2HB LYS 15 10.297 -2.569 5.090 151 2HB LYS 15 1HB LYS 15 10.268 -2.969 3.376 152 1HG LYS 15 2HG LYS 15 7.696 -1.989 3.928 153 2HG LYS 15 1HG LYS 15 8.784 -0.930 4.820 154 1HD LYS 15 2HD LYS 15 9.025 -1.633 1.883 155 2HD LYS 15 1HD LYS 15 8.434 -0.100 2.527 156 1HE LYS 15 2HE LYS 15 10.614 0.339 3.576 157 2HE LYS 15 1HE LYS 15 11.220 -1.226 2.998 158 1HZ LYS 15 1HZ LYS 15 11.838 0.417 1.402 159 2HZ LYS 15 2HZ LYS 15 10.262 1.049 1.345 160 3HZ LYS 15 3HZ LYS 15 10.583 -0.499 0.722 161 H LYS 16 H LYS 16 6.441 -4.359 5.232 162 HA LYS 16 HA LYS 16 6.318 -3.108 7.712 163 1HB LYS 16 2HB LYS 16 4.197 -4.381 7.888 164 2HB LYS 16 1HB LYS 16 4.438 -3.687 6.282 165 1HG LYS 16 2HG LYS 16 3.699 -5.948 5.954 166 2HG LYS 16 1HG LYS 16 5.421 -5.911 5.575 167 1HD LYS 16 2HD LYS 16 5.940 -7.283 7.277 168 2HD LYS 16 1HD LYS 16 4.897 -6.411 8.404 169 1HE LYS 16 2HE LYS 16 3.906 -8.582 8.224 170 2HE LYS 16 1HE LYS 16 2.928 -7.566 7.145 171 1HZ LYS 16 1HZ LYS 16 3.702 -9.623 6.057 172 2HZ LYS 16 2HZ LYS 16 5.310 -9.128 6.296 173 3HZ LYS 16 3HZ LYS 16 4.281 -8.226 5.290 Start of MODEL 21 1 1H ARG 1 1HT ARG 1 -4.801 7.472 0.498 2 2H ARG 1 2HT ARG 1 -5.348 8.954 1.120 3 3H ARG 1 3HT ARG 1 -6.002 8.342 -0.322 4 HA ARG 1 HA ARG 1 -6.412 7.353 2.441 5 1HB ARG 1 2HB ARG 1 -8.703 7.869 1.918 6 2HB ARG 1 1HB ARG 1 -7.735 9.241 1.380 7 1HG ARG 1 2HG ARG 1 -7.689 7.779 -0.885 8 2HG ARG 1 1HG ARG 1 -9.226 7.224 -0.226 9 1HD ARG 1 2HD ARG 1 -9.627 9.184 -1.642 10 2HD ARG 1 1HD ARG 1 -9.900 9.642 0.051 11 HE ARG 1 HE ARG 1 -7.664 10.672 0.066 12 1HH1 ARG 1 1HH1 ARG 1 -9.429 11.245 -2.591 13 2HH1 ARG 1 2HH1 ARG 1 -8.118 11.482 -3.696 14 1HH2 ARG 1 1HH2 ARG 1 -5.712 10.262 -1.518 15 2HH2 ARG 1 2HH2 ARG 1 -6.013 10.926 -3.089 16 H GLN 2 H GLN 2 -6.222 6.439 -0.938 17 HA GLN 2 HA GLN 2 -6.662 3.615 -0.182 18 1HB GLN 2 2HB GLN 2 -8.243 5.317 -2.064 19 2HB GLN 2 1HB GLN 2 -8.121 3.574 -2.259 20 1HG GLN 2 2HG GLN 2 -8.760 3.469 0.251 21 2HG GLN 2 1HG GLN 2 -9.341 5.115 0.005 22 1HE2 GLN 2 1HE2 GLN 2 -11.211 5.425 -1.389 23 2HE2 GLN 2 2HE2 GLN 2 -12.169 4.121 -1.899 24 H ILE 3 H ILE 3 -6.334 5.609 -3.140 25 HA ILE 3 HA ILE 3 -5.085 3.945 -4.843 26 HB ILE 3 HB ILE 3 -3.613 6.052 -5.383 27 1HG1 ILE 3 2HG1 ILE 3 -5.760 7.551 -4.060 28 2HG1 ILE 3 1HG1 ILE 3 -4.600 6.839 -2.950 29 1HG2 ILE 3 1HG2 ILE 3 -5.860 7.113 -6.248 30 2HG2 ILE 3 2HG2 ILE 3 -6.563 5.606 -5.660 31 3HG2 ILE 3 3HG2 ILE 3 -5.308 5.568 -6.899 32 1HD1 ILE 3 1HD1 ILE 3 -2.870 7.811 -4.743 33 2HD1 ILE 3 2HD1 ILE 3 -3.466 8.782 -3.398 34 3HD1 ILE 3 3HD1 ILE 3 -4.185 8.957 -4.997 35 H LYS 4 H LYS 4 -3.392 5.703 -2.265 36 HA LYS 4 HA LYS 4 -0.858 4.421 -2.742 37 1HB LYS 4 2HB LYS 4 -2.147 6.110 -0.622 38 2HB LYS 4 1HB LYS 4 -0.629 5.299 -0.237 39 1HG LYS 4 2HG LYS 4 -0.101 7.480 -1.109 40 2HG LYS 4 1HG LYS 4 0.331 6.288 -2.337 41 1HD LYS 4 2HD LYS 4 -1.552 6.768 -3.640 42 2HD LYS 4 1HD LYS 4 -2.378 7.554 -2.299 43 1HE LYS 4 2HE LYS 4 -1.621 9.361 -3.680 44 2HE LYS 4 1HE LYS 4 -0.429 9.278 -2.369 45 1HZ LYS 4 1HZ LYS 4 0.959 7.874 -3.726 46 2HZ LYS 4 2HZ LYS 4 0.623 9.305 -4.577 47 3HZ LYS 4 3HZ LYS 4 -0.190 7.866 -4.973 48 H ILE 5 H ILE 5 -3.590 3.912 -0.594 49 HA ILE 5 HA ILE 5 -2.620 1.816 1.037 50 HB ILE 5 HB ILE 5 -5.357 2.156 -0.263 51 1HG1 ILE 5 2HG1 ILE 5 -5.088 4.240 0.714 52 2HG1 ILE 5 1HG1 ILE 5 -5.656 3.349 2.118 53 1HG2 ILE 5 1HG2 ILE 5 -6.191 0.742 1.356 54 2HG2 ILE 5 2HG2 ILE 5 -4.980 1.213 2.548 55 3HG2 ILE 5 3HG2 ILE 5 -4.558 0.081 1.262 56 1HD1 ILE 5 1HD1 ILE 5 -3.749 4.477 2.922 57 2HD1 ILE 5 2HD1 ILE 5 -2.852 4.211 1.428 58 3HD1 ILE 5 3HD1 ILE 5 -3.129 2.872 2.542 59 H PHE 6 H PHE 6 -3.608 1.940 -2.297 60 HA PHE 6 HA PHE 6 -3.680 -0.971 -2.700 61 1HB PHE 6 2HB PHE 6 -4.512 1.309 -4.055 62 2HB PHE 6 1HB PHE 6 -3.133 0.773 -5.015 63 HD1 PHE 6 1HD PHE 6 -3.042 -1.810 -5.536 64 HD2 PHE 6 2HD PHE 6 -6.600 0.324 -4.420 65 HE1 PHE 6 1HE PHE 6 -4.432 -3.605 -6.534 66 HE2 PHE 6 2HE PHE 6 -7.989 -1.473 -5.418 67 HZ PHE 6 HZ PHE 6 -6.905 -3.437 -6.476 68 H PHE 7 H PHE 7 -1.356 1.654 -3.006 69 HA PHE 7 HA PHE 7 0.778 -0.122 -4.038 70 1HB PHE 7 2HB PHE 7 0.067 2.595 -4.224 71 2HB PHE 7 1HB PHE 7 1.490 2.585 -3.182 72 HD1 PHE 7 1HD PHE 7 0.219 2.002 -6.557 73 HD2 PHE 7 2HD PHE 7 3.632 1.597 -3.981 74 HE1 PHE 7 1HE PHE 7 1.672 1.655 -8.537 75 HE2 PHE 7 2HE PHE 7 5.085 1.251 -5.960 76 HZ PHE 7 HZ PHE 7 4.106 1.279 -8.238 77 H GLN 8 H GLN 8 0.066 1.888 -1.179 78 HA GLN 8 HA GLN 8 2.324 1.333 0.402 79 1HB GLN 8 2HB GLN 8 -0.604 1.695 1.101 80 2HB GLN 8 1HB GLN 8 0.703 1.773 2.273 81 1HG GLN 8 2HG GLN 8 1.756 3.524 0.693 82 2HG GLN 8 1HG GLN 8 0.139 3.675 -0.002 83 1HE2 GLN 8 1HE2 GLN 8 1.945 3.958 3.087 84 2HE2 GLN 8 2HE2 GLN 8 0.827 5.002 3.825 85 H ASN 9 H ASN 9 -0.580 -0.548 -0.219 86 HA ASN 9 HA ASN 9 -0.207 -2.639 1.684 87 1HB ASN 9 2HB ASN 9 -2.250 -2.198 0.327 88 2HB ASN 9 1HB ASN 9 -1.360 -2.683 -1.120 89 1HD2 ASN 9 1HD2 ASN 9 -3.006 -3.876 1.744 90 2HD2 ASN 9 2HD2 ASN 9 -2.840 -5.526 1.385 91 H ARG 10 H ARG 10 1.662 -1.687 -0.975 92 HA ARG 10 HA ARG 10 3.018 -4.346 -1.096 93 1HB ARG 10 2HB ARG 10 2.648 -2.404 -3.372 94 2HB ARG 10 1HB ARG 10 3.182 -4.083 -3.462 95 1HG ARG 10 2HG ARG 10 0.458 -3.246 -2.440 96 2HG ARG 10 1HG ARG 10 0.784 -3.720 -4.094 97 1HD ARG 10 2HD ARG 10 1.748 -5.593 -1.997 98 2HD ARG 10 1HD ARG 10 0.002 -5.516 -2.251 99 HE ARG 10 HE ARG 10 0.592 -6.911 -4.067 100 1HH1 ARG 10 1HH1 ARG 10 3.533 -6.653 -4.004 101 2HH1 ARG 10 2HH1 ARG 10 3.878 -5.817 -5.482 102 1HH2 ARG 10 1HH2 ARG 10 0.616 -4.739 -5.944 103 2HH2 ARG 10 2HH2 ARG 10 2.226 -4.733 -6.579 104 H ARG 11 H ARG 11 3.401 -1.204 -0.092 105 HA ARG 11 HA ARG 11 6.240 -1.099 -1.005 106 1HB ARG 11 2HB ARG 11 5.885 1.154 -1.392 107 2HB ARG 11 1HB ARG 11 4.221 0.618 -1.555 108 1HG ARG 11 2HG ARG 11 3.795 2.206 -0.047 109 2HG ARG 11 1HG ARG 11 4.387 1.043 1.122 110 1HD ARG 11 2HD ARG 11 5.936 3.286 -0.209 111 2HD ARG 11 1HD ARG 11 5.574 3.101 1.506 112 HE ARG 11 HE ARG 11 7.228 1.087 0.075 113 1HH1 ARG 11 1HH2 ARG 11 6.216 2.115 3.081 114 2HH1 ARG 11 2HH2 ARG 11 7.790 2.160 3.802 115 1HH2 ARG 11 1HH1 ARG 11 9.466 1.649 0.810 116 2HH2 ARG 11 2HH1 ARG 11 9.629 1.897 2.517 117 H MET 12 H MET 12 3.979 -0.644 1.634 118 HA MET 12 HA MET 12 6.257 -0.471 3.560 119 1HB MET 12 2HB MET 12 4.143 -0.029 5.112 120 2HB MET 12 1HB MET 12 4.802 1.251 4.100 121 1HG MET 12 2HG MET 12 3.087 1.110 2.577 122 2HG MET 12 1HG MET 12 2.746 -0.565 2.975 123 1HE MET 12 1HE MET 12 3.144 2.832 4.261 124 2HE MET 12 2HE MET 12 3.080 2.309 5.942 125 3HE MET 12 3HE MET 12 1.734 3.216 5.258 126 H LYS 13 H LYS 13 3.436 -2.352 2.627 127 HA LYS 13 HA LYS 13 3.674 -4.316 4.758 128 1HB LYS 13 2HB LYS 13 2.486 -4.702 2.022 129 2HB LYS 13 1HB LYS 13 1.969 -5.432 3.536 130 1HG LYS 13 2HG LYS 13 1.484 -2.658 2.502 131 2HG LYS 13 1HG LYS 13 0.349 -3.811 3.166 132 1HD LYS 13 2HD LYS 13 2.455 -2.824 5.021 133 2HD LYS 13 1HD LYS 13 1.205 -1.673 4.540 134 1HE LYS 13 2HE LYS 13 0.454 -2.831 6.555 135 2HE LYS 13 1HE LYS 13 -0.521 -3.414 5.191 136 1HZ LYS 13 1HZ LYS 13 0.691 -5.363 5.039 137 2HZ LYS 13 2HZ LYS 13 0.600 -5.139 6.720 138 3HZ LYS 13 3HZ LYS 13 2.023 -4.739 5.885 139 H PHE 14 H PHE 14 5.299 -3.499 1.907 140 HA PHE 14 HA PHE 14 6.327 -6.070 1.079 141 1HB PHE 14 2HB PHE 14 6.149 -3.410 0.183 142 2HB PHE 14 1HB PHE 14 7.874 -3.682 0.408 143 HD1 PHE 14 1HD PHE 14 5.012 -5.822 -0.749 144 HD2 PHE 14 2HD PHE 14 8.932 -4.276 -1.583 145 HE1 PHE 14 1HE PHE 14 5.081 -7.134 -2.853 146 HE2 PHE 14 2HE PHE 14 9.001 -5.588 -3.686 147 HZ PHE 14 HZ PHE 14 7.076 -7.017 -4.321 148 H LYS 15 H LYS 15 7.022 -3.798 3.578 149 HA LYS 15 HA LYS 15 9.456 -5.352 4.302 150 1HB LYS 15 2HB LYS 15 10.484 -3.077 4.878 151 2HB LYS 15 1HB LYS 15 10.324 -3.433 3.161 152 1HG LYS 15 2HG LYS 15 7.888 -2.245 3.869 153 2HG LYS 15 1HG LYS 15 9.105 -1.313 4.734 154 1HD LYS 15 2HD LYS 15 9.129 -1.937 1.768 155 2HD LYS 15 1HD LYS 15 8.729 -0.379 2.493 156 1HE LYS 15 2HE LYS 15 10.934 0.088 3.058 157 2HE LYS 15 1HE LYS 15 11.373 -1.626 3.185 158 1HZ LYS 15 1HZ LYS 15 10.604 -0.278 0.652 159 2HZ LYS 15 2HZ LYS 15 11.168 -1.871 0.826 160 3HZ LYS 15 3HZ LYS 15 12.208 -0.562 1.127 161 H LYS 16 H LYS 16 6.487 -4.525 5.178 162 HA LYS 16 HA LYS 16 6.566 -3.290 7.665 163 1HB LYS 16 2HB LYS 16 4.367 -4.400 7.934 164 2HB LYS 16 1HB LYS 16 4.589 -3.725 6.318 165 1HG LYS 16 2HG LYS 16 3.667 -5.928 6.036 166 2HG LYS 16 1HG LYS 16 5.365 -6.012 5.569 167 1HD LYS 16 2HD LYS 16 5.881 -7.408 7.255 168 2HD LYS 16 1HD LYS 16 4.936 -6.482 8.423 169 1HE LYS 16 2HE LYS 16 3.839 -8.617 8.260 170 2HE LYS 16 1HE LYS 16 2.852 -7.512 7.283 171 1HZ LYS 16 1HZ LYS 16 5.013 -9.293 6.286 172 2HZ LYS 16 2HZ LYS 16 4.182 -8.156 5.337 173 3HZ LYS 16 3HZ LYS 16 3.352 -9.481 6.003 Start of MODEL 22 1 1H ARG 1 1HT ARG 1 -4.546 9.983 -0.211 2 2H ARG 1 2HT ARG 1 -5.575 9.314 -1.384 3 3H ARG 1 3HT ARG 1 -4.335 8.375 -0.705 4 HA ARG 1 HA ARG 1 -5.560 8.918 1.527 5 1HB ARG 1 2HB ARG 1 -7.908 9.323 1.199 6 2HB ARG 1 1HB ARG 1 -7.044 10.482 0.188 7 1HG ARG 1 2HG ARG 1 -7.309 8.841 -1.736 8 2HG ARG 1 1HG ARG 1 -8.388 7.915 -0.694 9 1HD ARG 1 2HD ARG 1 -8.870 10.864 -1.090 10 2HD ARG 1 1HD ARG 1 -9.447 9.694 -2.293 11 HE ARG 1 HE ARG 1 -10.108 8.797 0.366 12 1HH1 ARG 1 1HH1 ARG 1 -10.962 11.738 0.221 13 2HH1 ARG 1 2HH1 ARG 1 -12.604 11.574 -0.305 14 1HH2 ARG 1 1HH2 ARG 1 -12.227 8.278 -1.314 15 2HH2 ARG 1 2HH2 ARG 1 -13.321 9.614 -1.175 16 H GLN 2 H GLN 2 -6.210 7.196 -1.505 17 HA GLN 2 HA GLN 2 -6.303 4.657 0.034 18 1HB GLN 2 2HB GLN 2 -8.240 5.787 -1.968 19 2HB GLN 2 1HB GLN 2 -8.120 4.065 -1.643 20 1HG GLN 2 2HG GLN 2 -8.306 4.757 0.853 21 2HG GLN 2 1HG GLN 2 -8.980 6.252 0.211 22 1HE2 GLN 2 1HE2 GLN 2 -10.985 5.322 1.438 23 2HE2 GLN 2 2HE2 GLN 2 -12.000 4.286 0.558 24 H ILE 3 H ILE 3 -5.801 6.240 -3.127 25 HA ILE 3 HA ILE 3 -5.096 4.078 -4.676 26 HB ILE 3 HB ILE 3 -3.756 5.659 -5.938 27 1HG1 ILE 3 2HG1 ILE 3 -2.519 6.498 -3.936 28 2HG1 ILE 3 1HG1 ILE 3 -3.020 7.751 -5.042 29 1HG2 ILE 3 1HG2 ILE 3 -5.680 6.619 -6.564 30 2HG2 ILE 3 2HG2 ILE 3 -5.548 7.743 -5.212 31 3HG2 ILE 3 3HG2 ILE 3 -6.408 6.217 -5.010 32 1HD1 ILE 3 1HD1 ILE 3 -4.175 7.094 -2.345 33 2HD1 ILE 3 2HD1 ILE 3 -5.088 8.024 -3.529 34 3HD1 ILE 3 3HD1 ILE 3 -3.550 8.634 -2.925 35 H LYS 4 H LYS 4 -3.275 5.657 -2.122 36 HA LYS 4 HA LYS 4 -0.819 4.223 -2.424 37 1HB LYS 4 2HB LYS 4 -2.241 5.868 -0.372 38 2HB LYS 4 1HB LYS 4 -0.884 4.894 0.182 39 1HG LYS 4 2HG LYS 4 0.045 6.989 -0.423 40 2HG LYS 4 1HG LYS 4 0.429 5.900 -1.760 41 1HD LYS 4 2HD LYS 4 -1.181 6.813 -3.142 42 2HD LYS 4 1HD LYS 4 -2.107 7.466 -1.799 43 1HE LYS 4 2HE LYS 4 -1.097 9.435 -2.504 44 2HE LYS 4 1HE LYS 4 0.199 8.844 -1.445 45 1HZ LYS 4 1HZ LYS 4 1.063 7.595 -3.393 46 2HZ LYS 4 2HZ LYS 4 1.149 9.282 -3.575 47 3HZ LYS 4 3HZ LYS 4 -0.067 8.399 -4.370 48 H ILE 5 H ILE 5 -3.813 3.658 -0.656 49 HA ILE 5 HA ILE 5 -3.129 1.520 1.005 50 HB ILE 5 HB ILE 5 -5.539 2.264 -0.646 51 1HG1 ILE 5 2HG1 ILE 5 -6.261 3.338 1.257 52 2HG1 ILE 5 1HG1 ILE 5 -5.497 2.184 2.308 53 1HG2 ILE 5 1HG2 ILE 5 -5.070 -0.176 1.005 54 2HG2 ILE 5 2HG2 ILE 5 -6.115 0.045 -0.399 55 3HG2 ILE 5 3HG2 ILE 5 -6.629 0.628 1.184 56 1HD1 ILE 5 1HD1 ILE 5 -3.266 3.186 1.714 57 2HD1 ILE 5 2HD1 ILE 5 -4.338 4.286 2.569 58 3HD1 ILE 5 3HD1 ILE 5 -4.136 4.436 0.828 59 H PHE 6 H PHE 6 -3.602 1.738 -2.427 60 HA PHE 6 HA PHE 6 -3.537 -1.162 -2.938 61 1HB PHE 6 2HB PHE 6 -3.962 1.345 -4.354 62 2HB PHE 6 1HB PHE 6 -2.856 0.312 -5.259 63 HD1 PHE 6 1HD PHE 6 -3.545 -2.087 -5.753 64 HD2 PHE 6 2HD PHE 6 -6.284 0.863 -4.255 65 HE1 PHE 6 1HE PHE 6 -5.455 -3.483 -6.497 66 HE2 PHE 6 2HE PHE 6 -8.193 -0.532 -4.999 67 HZ PHE 6 HZ PHE 6 -7.780 -2.705 -6.121 68 H PHE 7 H PHE 7 -1.283 1.564 -3.007 69 HA PHE 7 HA PHE 7 1.004 -0.103 -3.868 70 1HB PHE 7 2HB PHE 7 0.246 2.578 -4.008 71 2HB PHE 7 1HB PHE 7 1.469 2.579 -2.737 72 HD1 PHE 7 1HD PHE 7 0.906 1.012 -6.108 73 HD2 PHE 7 2HD PHE 7 3.686 2.845 -3.395 74 HE1 PHE 7 1HE PHE 7 2.692 0.839 -7.821 75 HE2 PHE 7 2HE PHE 7 5.471 2.672 -5.107 76 HZ PHE 7 HZ PHE 7 4.974 1.670 -7.320 77 H GLN 8 H GLN 8 -0.134 1.608 -0.966 78 HA GLN 8 HA GLN 8 1.965 1.074 0.828 79 1HB GLN 8 2HB GLN 8 -1.037 1.194 1.134 80 2HB GLN 8 1HB GLN 8 0.062 1.144 2.504 81 1HG GLN 8 2HG GLN 8 1.272 3.118 1.421 82 2HG GLN 8 1HG GLN 8 -0.157 3.298 0.401 83 1HE2 GLN 8 1HE2 GLN 8 0.679 5.266 2.393 84 2HE2 GLN 8 2HE2 GLN 8 -0.539 5.340 3.572 85 H ASN 9 H ASN 9 -0.733 -0.953 -0.194 86 HA ASN 9 HA ASN 9 -0.263 -3.157 1.555 87 1HB ASN 9 2HB ASN 9 -2.269 -2.612 0.082 88 2HB ASN 9 1HB ASN 9 -1.306 -3.180 -1.285 89 1HD2 ASN 9 1HD2 ASN 9 -3.588 -4.228 0.933 90 2HD2 ASN 9 2HD2 ASN 9 -3.239 -5.889 0.917 91 H ARG 10 H ARG 10 1.567 -1.892 -1.008 92 HA ARG 10 HA ARG 10 3.156 -4.404 -1.212 93 1HB ARG 10 2HB ARG 10 3.286 -2.921 -3.654 94 2HB ARG 10 1HB ARG 10 2.583 -4.520 -3.398 95 1HG ARG 10 2HG ARG 10 0.464 -3.448 -2.703 96 2HG ARG 10 1HG ARG 10 1.190 -1.875 -2.972 97 1HD ARG 10 2HD ARG 10 0.302 -2.077 -5.078 98 2HD ARG 10 1HD ARG 10 1.691 -3.124 -5.375 99 HE ARG 10 HE ARG 10 -0.873 -4.081 -5.477 100 1HH1 ARG 10 1HH2 ARG 10 1.728 -5.717 -5.548 101 2HH1 ARG 10 2HH2 ARG 10 1.400 -6.889 -4.315 102 1HH2 ARG 10 1HH1 ARG 10 -1.267 -5.123 -2.975 103 2HH2 ARG 10 2HH1 ARG 10 -0.295 -6.553 -2.859 104 H ARG 11 H ARG 11 3.272 -1.327 -0.092 105 HA ARG 11 HA ARG 11 6.091 -0.947 -1.011 106 1HB ARG 11 2HB ARG 11 5.628 1.344 -1.207 107 2HB ARG 11 1HB ARG 11 4.118 0.618 -1.724 108 1HG ARG 11 2HG ARG 11 3.071 1.823 -0.198 109 2HG ARG 11 1HG ARG 11 3.920 0.950 1.062 110 1HD ARG 11 2HD ARG 11 4.957 3.413 -0.372 111 2HD ARG 11 1HD ARG 11 4.301 3.381 1.268 112 HE ARG 11 HE ARG 11 6.577 1.615 0.581 113 1HH1 ARG 11 1HH2 ARG 11 6.413 4.784 1.349 114 2HH1 ARG 11 2HH2 ARG 11 7.177 4.677 2.900 115 1HH2 ARG 11 1HH1 ARG 11 7.041 1.217 3.023 116 2HH2 ARG 11 2HH1 ARG 11 7.532 2.658 3.847 117 H MET 12 H MET 12 3.792 -0.735 1.615 118 HA MET 12 HA MET 12 6.042 -0.366 3.547 119 1HB MET 12 2HB MET 12 3.925 -0.106 5.106 120 2HB MET 12 1HB MET 12 4.432 1.229 4.079 121 1HG MET 12 2HG MET 12 2.692 0.929 2.621 122 2HG MET 12 1HG MET 12 2.581 -0.784 2.954 123 1HE MET 12 1HE MET 12 2.387 2.259 5.881 124 2HE MET 12 2HE MET 12 0.927 2.802 5.057 125 3HE MET 12 3HE MET 12 2.424 2.614 4.148 126 H LYS 13 H LYS 13 3.396 -2.476 2.580 127 HA LYS 13 HA LYS 13 3.787 -4.431 4.696 128 1HB LYS 13 2HB LYS 13 2.672 -4.891 1.937 129 2HB LYS 13 1HB LYS 13 2.216 -5.699 3.431 130 1HG LYS 13 2HG LYS 13 1.469 -2.964 2.451 131 2HG LYS 13 1HG LYS 13 0.447 -4.241 3.061 132 1HD LYS 13 2HD LYS 13 2.428 -2.990 4.927 133 2HD LYS 13 1HD LYS 13 0.940 -2.121 4.537 134 1HE LYS 13 2HE LYS 13 0.074 -3.365 6.263 135 2HE LYS 13 1HE LYS 13 -0.029 -4.644 5.035 136 1HZ LYS 13 1HZ LYS 13 2.412 -4.121 6.638 137 2HZ LYS 13 2HZ LYS 13 2.096 -5.457 5.637 138 3HZ LYS 13 3HZ LYS 13 1.241 -5.260 7.092 139 H PHE 14 H PHE 14 5.368 -3.444 1.876 140 HA PHE 14 HA PHE 14 6.632 -5.909 1.043 141 1HB PHE 14 2HB PHE 14 6.215 -3.265 0.162 142 2HB PHE 14 1HB PHE 14 7.958 -3.396 0.373 143 HD1 PHE 14 1HD PHE 14 9.164 -4.112 -1.486 144 HD2 PHE 14 2HD PHE 14 5.152 -5.537 -0.916 145 HE1 PHE 14 1HE PHE 14 9.322 -5.403 -3.598 146 HE2 PHE 14 2HE PHE 14 5.310 -6.828 -3.028 147 HZ PHE 14 HZ PHE 14 7.394 -6.760 -4.368 148 H LYS 15 H LYS 15 7.097 -3.602 3.560 149 HA LYS 15 HA LYS 15 9.673 -4.915 4.276 150 1HB LYS 15 2HB LYS 15 10.471 -2.562 4.884 151 2HB LYS 15 1HB LYS 15 10.338 -2.898 3.161 152 1HG LYS 15 2HG LYS 15 7.797 -1.977 3.900 153 2HG LYS 15 1HG LYS 15 8.918 -0.943 4.779 154 1HD LYS 15 2HD LYS 15 8.955 -1.493 1.800 155 2HD LYS 15 1HD LYS 15 8.465 0.012 2.576 156 1HE LYS 15 2HE LYS 15 10.938 -0.292 3.673 157 2HE LYS 15 1HE LYS 15 11.194 -1.034 2.081 158 1HZ LYS 15 1HZ LYS 15 11.512 1.304 1.839 159 2HZ LYS 15 2HZ LYS 15 10.061 1.653 2.650 160 3HZ LYS 15 3HZ LYS 15 10.026 0.923 1.116 161 H LYS 16 H LYS 16 6.632 -4.398 5.142 162 HA LYS 16 HA LYS 16 6.572 -3.204 7.648 163 1HB LYS 16 2HB LYS 16 4.492 -4.539 7.877 164 2HB LYS 16 1HB LYS 16 4.655 -3.799 6.282 165 1HG LYS 16 2HG LYS 16 3.964 -6.069 5.918 166 2HG LYS 16 1HG LYS 16 5.671 -5.978 5.484 167 1HD LYS 16 2HD LYS 16 6.276 -7.386 7.125 168 2HD LYS 16 1HD LYS 16 5.264 -6.562 8.313 169 1HE LYS 16 2HE LYS 16 3.265 -7.718 7.107 170 2HE LYS 16 1HE LYS 16 4.499 -8.791 6.421 171 1HZ LYS 16 1HZ LYS 16 5.354 -9.117 8.699 172 2HZ LYS 16 2HZ LYS 16 3.772 -9.702 8.503 173 3HZ LYS 16 3HZ LYS 16 4.042 -8.228 9.302 Start of MODEL 23 1 1H ARG 1 1HT ARG 1 -4.864 7.545 0.025 2 2H ARG 1 2HT ARG 1 -4.424 7.712 1.656 3 3H ARG 1 3HT ARG 1 -5.117 9.019 0.824 4 HA ARG 1 HA ARG 1 -6.556 7.533 2.422 5 1HB ARG 1 2HB ARG 1 -8.476 8.221 0.972 6 2HB ARG 1 1HB ARG 1 -7.288 9.508 1.186 7 1HG ARG 1 2HG ARG 1 -6.239 8.488 -1.013 8 2HG ARG 1 1HG ARG 1 -7.863 7.841 -1.243 9 1HD ARG 1 2HD ARG 1 -7.209 10.774 -0.771 10 2HD ARG 1 1HD ARG 1 -7.639 10.055 -2.336 11 HE ARG 1 HE ARG 1 -9.727 9.224 -0.841 12 1HH1 ARG 1 1HH1 ARG 1 -9.266 11.245 1.254 13 2HH1 ARG 1 2HH1 ARG 1 -10.160 12.613 0.682 14 1HH2 ARG 1 1HH2 ARG 1 -10.400 11.433 -2.570 15 2HH2 ARG 1 2HH2 ARG 1 -10.803 12.719 -1.482 16 H GLN 2 H GLN 2 -6.066 6.544 -0.977 17 HA GLN 2 HA GLN 2 -6.696 3.761 -0.221 18 1HB GLN 2 2HB GLN 2 -8.150 5.552 -2.124 19 2HB GLN 2 1HB GLN 2 -8.126 3.804 -2.320 20 1HG GLN 2 2HG GLN 2 -8.850 3.680 0.139 21 2HG GLN 2 1HG GLN 2 -9.237 5.393 -0.019 22 1HE2 GLN 2 1HE2 GLN 2 -10.385 5.607 -2.508 23 2HE2 GLN 2 2HE2 GLN 2 -11.756 4.614 -2.633 24 H ILE 3 H ILE 3 -6.226 5.721 -3.181 25 HA ILE 3 HA ILE 3 -5.028 3.966 -4.845 26 HB ILE 3 HB ILE 3 -3.488 6.011 -5.422 27 1HG1 ILE 3 2HG1 ILE 3 -5.585 7.609 -4.136 28 2HG1 ILE 3 1HG1 ILE 3 -4.450 6.883 -3.009 29 1HG2 ILE 3 1HG2 ILE 3 -5.765 7.135 -6.245 30 2HG2 ILE 3 2HG2 ILE 3 -6.418 5.578 -5.738 31 3HG2 ILE 3 3HG2 ILE 3 -5.156 5.645 -6.966 32 1HD1 ILE 3 1HD1 ILE 3 -3.269 8.792 -3.502 33 2HD1 ILE 3 2HD1 ILE 3 -3.958 8.927 -5.120 34 3HD1 ILE 3 3HD1 ILE 3 -2.680 7.754 -4.801 35 H LYS 4 H LYS 4 -3.330 5.718 -2.267 36 HA LYS 4 HA LYS 4 -0.811 4.387 -2.664 37 1HB LYS 4 2HB LYS 4 -2.144 6.062 -0.553 38 2HB LYS 4 1HB LYS 4 -0.634 5.246 -0.154 39 1HG LYS 4 2HG LYS 4 -0.158 7.484 -0.987 40 2HG LYS 4 1HG LYS 4 0.410 6.286 -2.154 41 1HD LYS 4 2HD LYS 4 -1.380 6.669 -3.607 42 2HD LYS 4 1HD LYS 4 -2.342 7.437 -2.349 43 1HE LYS 4 2HE LYS 4 0.274 8.676 -3.197 44 2HE LYS 4 1HE LYS 4 -1.208 8.991 -4.120 45 1HZ LYS 4 1HZ LYS 4 -0.759 9.443 -1.221 46 2HZ LYS 4 2HZ LYS 4 -2.295 9.491 -1.944 47 3HZ LYS 4 3HZ LYS 4 -1.102 10.611 -2.401 48 H ILE 5 H ILE 5 -3.612 3.905 -0.588 49 HA ILE 5 HA ILE 5 -2.725 1.785 1.052 50 HB ILE 5 HB ILE 5 -5.412 2.198 -0.334 51 1HG1 ILE 5 2HG1 ILE 5 -5.147 4.239 0.722 52 2HG1 ILE 5 1HG1 ILE 5 -5.757 3.312 2.084 53 1HG2 ILE 5 1HG2 ILE 5 -5.708 0.182 0.757 54 2HG2 ILE 5 2HG2 ILE 5 -6.038 1.267 2.107 55 3HG2 ILE 5 3HG2 ILE 5 -4.451 0.514 1.948 56 1HD1 ILE 5 1HD1 ILE 5 -3.847 4.422 2.939 57 2HD1 ILE 5 2HD1 ILE 5 -2.914 4.118 1.475 58 3HD1 ILE 5 3HD1 ILE 5 -3.270 2.795 2.584 59 H PHE 6 H PHE 6 -3.593 1.938 -2.307 60 HA PHE 6 HA PHE 6 -3.675 -0.969 -2.737 61 1HB PHE 6 2HB PHE 6 -4.667 1.104 -4.082 62 2HB PHE 6 1HB PHE 6 -3.092 1.070 -4.873 63 HD1 PHE 6 1HD PHE 6 -2.415 -0.810 -6.271 64 HD2 PHE 6 2HD PHE 6 -6.233 -0.771 -4.302 65 HE1 PHE 6 1HE PHE 6 -3.167 -2.703 -7.689 66 HE2 PHE 6 2HE PHE 6 -6.983 -2.663 -5.718 67 HZ PHE 6 HZ PHE 6 -5.451 -3.628 -7.412 68 H PHE 7 H PHE 7 -1.332 1.655 -3.011 69 HA PHE 7 HA PHE 7 0.830 -0.125 -3.979 70 1HB PHE 7 2HB PHE 7 0.132 2.589 -4.164 71 2HB PHE 7 1HB PHE 7 1.508 2.575 -3.060 72 HD1 PHE 7 1HD PHE 7 0.794 3.082 -6.343 73 HD2 PHE 7 2HD PHE 7 3.279 0.544 -3.928 74 HE1 PHE 7 1HE PHE 7 2.331 2.759 -8.263 75 HE2 PHE 7 2HE PHE 7 4.815 0.221 -5.847 76 HZ PHE 7 HZ PHE 7 4.341 1.328 -8.014 77 H GLN 8 H GLN 8 0.005 1.806 -1.099 78 HA GLN 8 HA GLN 8 2.238 1.251 0.525 79 1HB GLN 8 2HB GLN 8 -0.710 1.559 1.154 80 2HB GLN 8 1HB GLN 8 0.560 1.612 2.366 81 1HG GLN 8 2HG GLN 8 1.645 3.415 0.861 82 2HG GLN 8 1HG GLN 8 0.040 3.583 0.144 83 1HE2 GLN 8 1HE2 GLN 8 1.914 5.020 2.418 84 2HE2 GLN 8 2HE2 GLN 8 0.726 5.508 3.528 85 H ASN 9 H ASN 9 -0.639 -0.648 -0.182 86 HA ASN 9 HA ASN 9 -0.238 -2.792 1.657 87 1HB ASN 9 2HB ASN 9 -2.271 -2.275 0.261 88 2HB ASN 9 1HB ASN 9 -1.373 -2.838 -1.152 89 1HD2 ASN 9 1HD2 ASN 9 -3.493 -3.870 1.279 90 2HD2 ASN 9 2HD2 ASN 9 -3.200 -5.539 1.176 91 H ARG 10 H ARG 10 1.592 -1.745 -0.999 92 HA ARG 10 HA ARG 10 3.025 -4.349 -1.149 93 1HB ARG 10 2HB ARG 10 3.169 -2.832 -3.605 94 2HB ARG 10 1HB ARG 10 2.553 -4.465 -3.356 95 1HG ARG 10 2HG ARG 10 0.406 -3.399 -2.523 96 2HG ARG 10 1HG ARG 10 1.057 -1.865 -3.064 97 1HD ARG 10 2HD ARG 10 -0.339 -2.781 -4.851 98 2HD ARG 10 1HD ARG 10 1.344 -2.906 -5.360 99 HE ARG 10 HE ARG 10 0.576 -5.200 -3.907 100 1HH1 ARG 10 1HH1 ARG 10 1.624 -4.206 -6.857 101 2HH1 ARG 10 2HH1 ARG 10 0.779 -5.399 -7.787 102 1HH2 ARG 10 1HH2 ARG 10 -1.122 -6.521 -5.113 103 2HH2 ARG 10 2HH2 ARG 10 -0.775 -6.711 -6.799 104 H ARG 11 H ARG 11 3.342 -1.265 -0.079 105 HA ARG 11 HA ARG 11 6.168 -1.073 -1.027 106 1HB ARG 11 2HB ARG 11 5.795 1.185 -1.380 107 2HB ARG 11 1HB ARG 11 4.151 0.613 -1.604 108 1HG ARG 11 2HG ARG 11 3.617 2.150 -0.086 109 2HG ARG 11 1HG ARG 11 4.248 1.021 1.095 110 1HD ARG 11 2HD ARG 11 5.722 3.319 -0.234 111 2HD ARG 11 1HD ARG 11 5.320 3.152 1.475 112 HE ARG 11 HE ARG 11 7.086 1.174 0.135 113 1HH1 ARG 11 1HH2 ARG 11 5.983 2.241 3.092 114 2HH1 ARG 11 2HH2 ARG 11 7.542 2.385 3.833 115 1HH2 ARG 11 1HH1 ARG 11 9.287 1.874 0.883 116 2HH2 ARG 11 2HH1 ARG 11 9.410 2.178 2.583 117 H MET 12 H MET 12 3.902 -0.666 1.619 118 HA MET 12 HA MET 12 6.179 -0.446 3.542 119 1HB MET 12 2HB MET 12 4.065 -0.086 5.107 120 2HB MET 12 1HB MET 12 4.670 1.225 4.103 121 1HG MET 12 2HG MET 12 2.938 1.058 2.613 122 2HG MET 12 1HG MET 12 2.687 -0.646 2.949 123 1HE MET 12 1HE MET 12 3.257 2.232 5.416 124 2HE MET 12 2HE MET 12 1.634 2.757 5.855 125 3HE MET 12 3HE MET 12 2.222 3.014 4.213 126 H LYS 13 H LYS 13 3.418 -2.413 2.600 127 HA LYS 13 HA LYS 13 3.706 -4.376 4.723 128 1HB LYS 13 2HB LYS 13 2.556 -4.781 1.969 129 2HB LYS 13 1HB LYS 13 2.058 -5.555 3.468 130 1HG LYS 13 2HG LYS 13 1.470 -2.784 2.475 131 2HG LYS 13 1HG LYS 13 0.379 -3.991 3.117 132 1HD LYS 13 2HD LYS 13 2.457 -2.863 4.950 133 2HD LYS 13 1HD LYS 13 1.046 -1.878 4.553 134 1HE LYS 13 2HE LYS 13 0.172 -3.033 6.361 135 2HE LYS 13 1HE LYS 13 -0.196 -4.222 5.096 136 1HZ LYS 13 1HZ LYS 13 1.918 -5.288 5.498 137 2HZ LYS 13 2HZ LYS 13 1.040 -5.217 6.951 138 3HZ LYS 13 3HZ LYS 13 2.321 -4.135 6.674 139 H PHE 14 H PHE 14 5.340 -3.488 1.907 140 HA PHE 14 HA PHE 14 6.477 -6.007 1.060 141 1HB PHE 14 2HB PHE 14 6.179 -3.380 0.172 142 2HB PHE 14 1HB PHE 14 7.907 -3.505 0.489 143 HD1 PHE 14 1HD PHE 14 5.227 -5.719 -0.948 144 HD2 PHE 14 2HD PHE 14 9.198 -4.131 -1.335 145 HE1 PHE 14 1HE PHE 14 5.530 -6.989 -3.057 146 HE2 PHE 14 2HE PHE 14 9.502 -5.400 -3.443 147 HZ PHE 14 HZ PHE 14 7.668 -6.830 -4.304 148 H LYS 15 H LYS 15 7.046 -3.748 3.596 149 HA LYS 15 HA LYS 15 9.553 -5.188 4.321 150 1HB LYS 15 2HB LYS 15 10.474 -2.889 4.911 151 2HB LYS 15 1HB LYS 15 10.273 -3.185 3.186 152 1HG LYS 15 2HG LYS 15 7.802 -2.163 4.010 153 2HG LYS 15 1HG LYS 15 8.986 -1.205 4.892 154 1HD LYS 15 2HD LYS 15 8.977 -1.685 1.900 155 2HD LYS 15 1HD LYS 15 8.497 -0.190 2.706 156 1HE LYS 15 2HE LYS 15 10.691 0.354 3.311 157 2HE LYS 15 1HE LYS 15 11.237 -1.333 3.225 158 1HZ LYS 15 1HZ LYS 15 11.107 -1.330 0.899 159 2HZ LYS 15 2HZ LYS 15 11.845 0.154 1.276 160 3HZ LYS 15 3HZ LYS 15 10.200 0.104 0.852 161 H LYS 16 H LYS 16 6.525 -4.458 5.183 162 HA LYS 16 HA LYS 16 6.541 -3.280 7.689 163 1HB LYS 16 2HB LYS 16 4.385 -4.475 7.925 164 2HB LYS 16 1HB LYS 16 4.595 -3.776 6.316 165 1HG LYS 16 2HG LYS 16 3.753 -6.017 6.025 166 2HG LYS 16 1HG LYS 16 5.448 -6.016 5.538 167 1HD LYS 16 2HD LYS 16 6.050 -7.402 7.207 168 2HD LYS 16 1HD LYS 16 5.061 -6.545 8.392 169 1HE LYS 16 2HE LYS 16 3.816 -8.349 6.299 170 2HE LYS 16 1HE LYS 16 4.343 -8.965 7.878 171 1HZ LYS 16 1HZ LYS 16 2.550 -6.626 7.491 172 2HZ LYS 16 2HZ LYS 16 3.003 -7.319 8.974 173 3HZ LYS 16 3HZ LYS 16 2.016 -8.184 7.896 Start of MODEL 24 1 1H ARG 1 1HT ARG 1 -5.271 10.122 -0.527 2 2H ARG 1 2HT ARG 1 -5.181 8.575 -1.222 3 3H ARG 1 3HT ARG 1 -4.201 8.969 0.107 4 HA ARG 1 HA ARG 1 -5.950 8.894 1.611 5 1HB ARG 1 2HB ARG 1 -8.303 9.021 0.788 6 2HB ARG 1 1HB ARG 1 -7.346 10.423 0.302 7 1HG ARG 1 2HG ARG 1 -6.899 9.213 -1.890 8 2HG ARG 1 1HG ARG 1 -8.116 8.036 -1.395 9 1HD ARG 1 2HD ARG 1 -9.155 9.768 -2.808 10 2HD ARG 1 1HD ARG 1 -9.763 9.919 -1.147 11 HE ARG 1 HE ARG 1 -7.354 11.480 -1.517 12 1HH1 ARG 1 1HH2 ARG 1 -9.570 11.990 -3.722 13 2HH1 ARG 1 2HH2 ARG 1 -10.275 13.430 -3.070 14 1HH2 ARG 1 1HH1 ARG 1 -8.768 13.080 0.034 15 2HH2 ARG 1 2HH1 ARG 1 -9.822 14.048 -0.943 16 H GLN 2 H GLN 2 -6.318 7.161 -1.491 17 HA GLN 2 HA GLN 2 -6.382 4.617 0.036 18 1HB GLN 2 2HB GLN 2 -8.246 5.657 -2.085 19 2HB GLN 2 1HB GLN 2 -8.104 3.952 -1.687 20 1HG GLN 2 2HG GLN 2 -8.498 4.645 0.748 21 2HG GLN 2 1HG GLN 2 -9.032 6.193 0.093 22 1HE2 GLN 2 1HE2 GLN 2 -10.682 4.081 1.471 23 2HE2 GLN 2 2HE2 GLN 2 -11.900 3.668 0.364 24 H ILE 3 H ILE 3 -6.034 6.119 -3.190 25 HA ILE 3 HA ILE 3 -5.097 4.120 -4.746 26 HB ILE 3 HB ILE 3 -3.292 5.914 -5.429 27 1HG1 ILE 3 2HG1 ILE 3 -5.170 7.844 -4.275 28 2HG1 ILE 3 1HG1 ILE 3 -4.180 7.028 -3.077 29 1HG2 ILE 3 1HG2 ILE 3 -5.398 5.285 -6.638 30 2HG2 ILE 3 2HG2 ILE 3 -4.989 6.994 -6.778 31 3HG2 ILE 3 3HG2 ILE 3 -6.256 6.479 -5.664 32 1HD1 ILE 3 1HD1 ILE 3 -2.817 8.819 -3.649 33 2HD1 ILE 3 2HD1 ILE 3 -3.311 8.788 -5.341 34 3HD1 ILE 3 3HD1 ILE 3 -2.217 7.553 -4.718 35 H LYS 4 H LYS 4 -3.270 5.693 -2.171 36 HA LYS 4 HA LYS 4 -0.839 4.211 -2.515 37 1HB LYS 4 2HB LYS 4 -2.162 5.920 -0.442 38 2HB LYS 4 1HB LYS 4 -0.763 4.971 0.049 39 1HG LYS 4 2HG LYS 4 -0.009 7.146 -0.698 40 2HG LYS 4 1HG LYS 4 0.501 5.927 -1.870 41 1HD LYS 4 2HD LYS 4 -1.211 6.509 -3.381 42 2HD LYS 4 1HD LYS 4 -2.082 7.425 -2.153 43 1HE LYS 4 2HE LYS 4 -1.040 9.232 -3.140 44 2HE LYS 4 1HE LYS 4 0.339 8.720 -2.149 45 1HZ LYS 4 1HZ LYS 4 0.979 8.860 -4.475 46 2HZ LYS 4 2HZ LYS 4 -0.263 7.782 -4.906 47 3HZ LYS 4 3HZ LYS 4 1.034 7.250 -3.946 48 H ILE 5 H ILE 5 -3.803 3.682 -0.685 49 HA ILE 5 HA ILE 5 -3.088 1.561 0.995 50 HB ILE 5 HB ILE 5 -5.520 2.269 -0.641 51 1HG1 ILE 5 2HG1 ILE 5 -6.241 3.337 1.267 52 2HG1 ILE 5 1HG1 ILE 5 -5.451 2.197 2.312 53 1HG2 ILE 5 1HG2 ILE 5 -6.723 0.638 0.935 54 2HG2 ILE 5 2HG2 ILE 5 -5.131 -0.043 1.268 55 3HG2 ILE 5 3HG2 ILE 5 -5.781 -0.084 -0.370 56 1HD1 ILE 5 1HD1 ILE 5 -3.243 3.224 1.709 57 2HD1 ILE 5 2HD1 ILE 5 -4.326 4.322 2.553 58 3HD1 ILE 5 3HD1 ILE 5 -4.129 4.455 0.810 59 H PHE 6 H PHE 6 -3.619 1.761 -2.439 60 HA PHE 6 HA PHE 6 -3.540 -1.129 -2.955 61 1HB PHE 6 2HB PHE 6 -4.259 1.204 -4.305 62 2HB PHE 6 1HB PHE 6 -2.782 0.706 -5.129 63 HD1 PHE 6 1HD PHE 6 -6.164 -0.441 -4.082 64 HD2 PHE 6 2HD PHE 6 -2.745 -1.188 -6.571 65 HE1 PHE 6 1HE PHE 6 -7.429 -2.200 -5.290 66 HE2 PHE 6 2HE PHE 6 -4.009 -2.948 -7.779 67 HZ PHE 6 HZ PHE 6 -6.350 -3.452 -7.140 68 H PHE 7 H PHE 7 -1.264 1.585 -3.025 69 HA PHE 7 HA PHE 7 1.017 -0.104 -3.857 70 1HB PHE 7 2HB PHE 7 0.279 2.593 -3.985 71 2HB PHE 7 1HB PHE 7 1.529 2.566 -2.742 72 HD1 PHE 7 1HD PHE 7 1.260 3.371 -5.965 73 HD2 PHE 7 2HD PHE 7 3.340 0.453 -3.594 74 HE1 PHE 7 1HE PHE 7 2.996 3.179 -7.724 75 HE2 PHE 7 2HE PHE 7 5.076 0.261 -5.354 76 HZ PHE 7 HZ PHE 7 4.904 1.624 -7.419 77 H GLN 8 H GLN 8 -0.106 1.642 -0.964 78 HA GLN 8 HA GLN 8 1.981 1.093 0.836 79 1HB GLN 8 2HB GLN 8 -1.022 1.221 1.149 80 2HB GLN 8 1HB GLN 8 0.084 1.181 2.511 81 1HG GLN 8 2HG GLN 8 1.283 3.135 1.272 82 2HG GLN 8 1HG GLN 8 -0.276 3.353 0.472 83 1HE2 GLN 8 1HE2 GLN 8 -1.809 4.561 1.629 84 2HE2 GLN 8 2HE2 GLN 8 -1.715 4.909 3.287 85 H ASN 9 H ASN 9 -0.720 -0.919 -0.198 86 HA ASN 9 HA ASN 9 -0.276 -3.120 1.562 87 1HB ASN 9 2HB ASN 9 -2.274 -2.556 0.083 88 2HB ASN 9 1HB ASN 9 -1.317 -3.148 -1.277 89 1HD2 ASN 9 1HD2 ASN 9 -3.446 -4.125 1.224 90 2HD2 ASN 9 2HD2 ASN 9 -3.191 -5.799 1.107 91 H ARG 10 H ARG 10 1.576 -1.880 -0.995 92 HA ARG 10 HA ARG 10 3.137 -4.410 -1.189 93 1HB ARG 10 2HB ARG 10 3.277 -2.947 -3.641 94 2HB ARG 10 1HB ARG 10 2.560 -4.537 -3.374 95 1HG ARG 10 2HG ARG 10 0.451 -3.439 -2.684 96 2HG ARG 10 1HG ARG 10 1.192 -1.875 -2.970 97 1HD ARG 10 2HD ARG 10 0.254 -2.115 -5.060 98 2HD ARG 10 1HD ARG 10 1.685 -3.102 -5.364 99 HE ARG 10 HE ARG 10 -0.815 -4.177 -5.495 100 1HH1 ARG 10 1HH1 ARG 10 1.827 -5.737 -5.433 101 2HH1 ARG 10 2HH1 ARG 10 1.495 -6.880 -4.174 102 1HH2 ARG 10 1HH2 ARG 10 -1.259 -5.150 -2.968 103 2HH2 ARG 10 2HH2 ARG 10 -0.252 -6.546 -2.778 104 H ARG 11 H ARG 11 3.286 -1.341 -0.079 105 HA ARG 11 HA ARG 11 6.103 -0.982 -1.006 106 1HB ARG 11 2HB ARG 11 5.661 1.318 -1.194 107 2HB ARG 11 1HB ARG 11 4.155 0.600 -1.732 108 1HG ARG 11 2HG ARG 11 3.089 1.794 -0.214 109 2HG ARG 11 1HG ARG 11 3.935 0.932 1.055 110 1HD ARG 11 2HD ARG 11 4.984 3.385 -0.387 111 2HD ARG 11 1HD ARG 11 4.295 3.372 1.241 112 HE ARG 11 HE ARG 11 6.588 1.604 0.615 113 1HH1 ARG 11 1HH2 ARG 11 6.323 4.774 1.416 114 2HH1 ARG 11 2HH2 ARG 11 7.075 4.666 2.973 115 1HH2 ARG 11 1HH1 ARG 11 7.068 1.203 3.032 116 2HH2 ARG 11 2HH1 ARG 11 7.496 2.646 3.887 117 H MET 12 H MET 12 3.811 -0.742 1.623 118 HA MET 12 HA MET 12 6.067 -0.383 3.549 119 1HB MET 12 2HB MET 12 3.950 -0.120 5.114 120 2HB MET 12 1HB MET 12 4.465 1.216 4.091 121 1HG MET 12 2HG MET 12 2.724 0.933 2.631 122 2HG MET 12 1HG MET 12 2.604 -0.782 2.957 123 1HE MET 12 1HE MET 12 2.270 2.729 4.368 124 2HE MET 12 2HE MET 12 2.931 1.930 5.792 125 3HE MET 12 3HE MET 12 1.285 2.556 5.827 126 H LYS 13 H LYS 13 3.413 -2.483 2.587 127 HA LYS 13 HA LYS 13 3.797 -4.438 4.704 128 1HB LYS 13 2HB LYS 13 2.674 -4.892 1.946 129 2HB LYS 13 1HB LYS 13 2.216 -5.697 3.440 130 1HG LYS 13 2HG LYS 13 1.465 -2.971 2.444 131 2HG LYS 13 1HG LYS 13 0.453 -4.235 3.101 132 1HD LYS 13 2HD LYS 13 2.473 -2.911 4.883 133 2HD LYS 13 1HD LYS 13 0.944 -2.103 4.534 134 1HE LYS 13 2HE LYS 13 -0.199 -3.502 5.908 135 2HE LYS 13 1HE LYS 13 0.579 -4.936 5.211 136 1HZ LYS 13 1HZ LYS 13 1.315 -4.697 7.468 137 2HZ LYS 13 2HZ LYS 13 1.746 -3.074 7.212 138 3HZ LYS 13 3HZ LYS 13 2.612 -4.318 6.444 139 H PHE 14 H PHE 14 5.384 -3.462 1.884 140 HA PHE 14 HA PHE 14 6.632 -5.936 1.052 141 1HB PHE 14 2HB PHE 14 6.221 -3.303 0.161 142 2HB PHE 14 1HB PHE 14 7.964 -3.420 0.390 143 HD1 PHE 14 1HD PHE 14 5.169 -5.546 -0.951 144 HD2 PHE 14 2HD PHE 14 9.213 -4.176 -1.425 145 HE1 PHE 14 1HE PHE 14 5.362 -6.845 -3.055 146 HE2 PHE 14 2HE PHE 14 9.405 -5.475 -3.530 147 HZ PHE 14 HZ PHE 14 7.480 -6.809 -4.344 148 H LYS 15 H LYS 15 7.112 -3.625 3.561 149 HA LYS 15 HA LYS 15 9.681 -4.951 4.280 150 1HB LYS 15 2HB LYS 15 10.479 -2.593 4.894 151 2HB LYS 15 1HB LYS 15 10.375 -2.946 3.172 152 1HG LYS 15 2HG LYS 15 7.824 -2.004 3.863 153 2HG LYS 15 1HG LYS 15 8.938 -0.965 4.745 154 1HD LYS 15 2HD LYS 15 9.037 -1.557 1.774 155 2HD LYS 15 1HD LYS 15 8.505 -0.047 2.514 156 1HE LYS 15 2HE LYS 15 11.136 -0.803 3.512 157 2HE LYS 15 1HE LYS 15 11.132 -0.651 1.743 158 1HZ LYS 15 1HZ LYS 15 11.465 1.505 2.821 159 2HZ LYS 15 2HZ LYS 15 9.986 1.331 3.641 160 3HZ LYS 15 3HZ LYS 15 10.012 1.471 1.947 161 H LYS 16 H LYS 16 6.646 -4.446 5.154 162 HA LYS 16 HA LYS 16 6.616 -3.235 7.661 163 1HB LYS 16 2HB LYS 16 4.510 -4.519 7.898 164 2HB LYS 16 1HB LYS 16 4.682 -3.794 6.296 165 1HG LYS 16 2HG LYS 16 3.939 -6.046 5.947 166 2HG LYS 16 1HG LYS 16 5.647 -6.004 5.513 167 1HD LYS 16 2HD LYS 16 6.207 -7.427 7.154 168 2HD LYS 16 1HD LYS 16 5.244 -6.552 8.346 169 1HE LYS 16 2HE LYS 16 3.890 -8.402 8.298 170 2HE LYS 16 1HE LYS 16 3.299 -7.736 6.763 171 1HZ LYS 16 1HZ LYS 16 5.639 -9.541 7.076 172 2HZ LYS 16 2HZ LYS 16 5.082 -8.888 5.610 173 3HZ LYS 16 3HZ LYS 16 4.123 -9.997 6.469 Start of MODEL 25 1 1H ARG 1 1HT ARG 1 -7.360 8.782 -0.798 2 2H ARG 1 2HT ARG 1 -5.736 9.165 -1.115 3 3H ARG 1 3HT ARG 1 -6.729 10.276 -0.299 4 HA ARG 1 HA ARG 1 -5.110 8.949 1.126 5 1HB ARG 1 2HB ARG 1 -6.886 8.803 2.871 6 2HB ARG 1 1HB ARG 1 -6.987 10.304 1.945 7 1HG ARG 1 2HG ARG 1 -8.728 9.265 0.502 8 2HG ARG 1 1HG ARG 1 -8.661 7.814 1.502 9 1HD ARG 1 2HD ARG 1 -9.121 10.467 2.839 10 2HD ARG 1 1HD ARG 1 -10.476 9.657 2.027 11 HE ARG 1 HE ARG 1 -8.828 8.006 3.855 12 1HH1 ARG 1 1HH2 ARG 1 -10.729 10.284 4.958 13 2HH1 ARG 1 2HH2 ARG 1 -12.079 9.307 5.432 14 1HH2 ARG 1 1HH1 ARG 1 -10.996 6.503 3.705 15 2HH2 ARG 1 2HH1 ARG 1 -12.229 7.167 4.722 16 H GLN 2 H GLN 2 -6.333 7.124 -1.172 17 HA GLN 2 HA GLN 2 -6.115 4.626 0.408 18 1HB GLN 2 2HB GLN 2 -8.281 5.529 -1.475 19 2HB GLN 2 1HB GLN 2 -8.017 3.846 -1.046 20 1HG GLN 2 2HG GLN 2 -8.015 4.825 1.408 21 2HG GLN 2 1HG GLN 2 -8.998 6.078 0.654 22 1HE2 GLN 2 1HE2 GLN 2 -10.376 4.468 -1.276 23 2HE2 GLN 2 2HE2 GLN 2 -11.390 3.388 -0.447 24 H ILE 3 H ILE 3 -6.233 6.079 -2.855 25 HA ILE 3 HA ILE 3 -5.463 4.098 -4.511 26 HB ILE 3 HB ILE 3 -3.790 5.914 -5.423 27 1HG1 ILE 3 2HG1 ILE 3 -5.516 7.822 -4.019 28 2HG1 ILE 3 1HG1 ILE 3 -4.363 7.013 -2.969 29 1HG2 ILE 3 1HG2 ILE 3 -5.545 6.683 -6.721 30 2HG2 ILE 3 2HG2 ILE 3 -6.645 6.791 -5.347 31 3HG2 ILE 3 3HG2 ILE 3 -6.270 5.220 -6.055 32 1HD1 ILE 3 1HD1 ILE 3 -3.082 8.793 -3.705 33 2HD1 ILE 3 2HD1 ILE 3 -3.840 8.817 -5.297 34 3HD1 ILE 3 3HD1 ILE 3 -2.664 7.565 -4.898 35 H LYS 4 H LYS 4 -3.332 5.700 -2.199 36 HA LYS 4 HA LYS 4 -0.956 4.233 -2.864 37 1HB LYS 4 2HB LYS 4 -2.002 5.950 -0.645 38 2HB LYS 4 1HB LYS 4 -0.546 5.011 -0.332 39 1HG LYS 4 2HG LYS 4 0.133 7.154 -1.184 40 2HG LYS 4 1HG LYS 4 0.418 5.957 -2.451 41 1HD LYS 4 2HD LYS 4 -1.481 6.616 -3.662 42 2HD LYS 4 1HD LYS 4 -2.163 7.470 -2.282 43 1HE LYS 4 2HE LYS 4 -1.288 9.326 -3.341 44 2HE LYS 4 1HE LYS 4 0.222 8.793 -2.577 45 1HZ LYS 4 1HZ LYS 4 0.822 7.570 -4.484 46 2HZ LYS 4 2HZ LYS 4 0.314 9.085 -5.063 47 3HZ LYS 4 3HZ LYS 4 -0.713 7.738 -5.185 48 H ILE 5 H ILE 5 -3.637 3.703 -0.650 49 HA ILE 5 HA ILE 5 -2.677 1.608 0.939 50 HB ILE 5 HB ILE 5 -5.326 2.290 -0.335 51 1HG1 ILE 5 2HG1 ILE 5 -5.769 3.377 1.651 52 2HG1 ILE 5 1HG1 ILE 5 -4.804 2.266 2.578 53 1HG2 ILE 5 1HG2 ILE 5 -6.234 0.687 1.498 54 2HG2 ILE 5 2HG2 ILE 5 -4.622 -0.026 1.463 55 3HG2 ILE 5 3HG2 ILE 5 -5.616 -0.025 0.008 56 1HD1 ILE 5 1HD1 ILE 5 -3.772 4.515 0.848 57 2HD1 ILE 5 2HD1 ILE 5 -2.737 3.313 1.618 58 3HD1 ILE 5 3HD1 ILE 5 -3.691 4.411 2.603 59 H PHE 6 H PHE 6 -3.702 1.763 -2.390 60 HA PHE 6 HA PHE 6 -3.755 -1.117 -2.902 61 1HB PHE 6 2HB PHE 6 -4.607 1.130 -4.187 62 2HB PHE 6 1HB PHE 6 -3.110 0.826 -5.068 63 HD1 PHE 6 1HD PHE 6 -2.775 -1.912 -5.427 64 HD2 PHE 6 2HD PHE 6 -6.491 0.234 -5.210 65 HE1 PHE 6 1HE PHE 6 -3.893 -3.719 -6.705 66 HE2 PHE 6 2HE PHE 6 -7.609 -1.574 -6.488 67 HZ PHE 6 HZ PHE 6 -6.311 -3.550 -7.235 68 H PHE 7 H PHE 7 -1.392 1.487 -3.165 69 HA PHE 7 HA PHE 7 0.751 -0.312 -4.135 70 1HB PHE 7 2HB PHE 7 0.100 2.516 -4.038 71 2HB PHE 7 1HB PHE 7 1.698 2.251 -3.342 72 HD1 PHE 7 1HD PHE 7 -0.037 0.349 -6.059 73 HD2 PHE 7 2HD PHE 7 3.202 2.972 -5.019 74 HE1 PHE 7 1HE PHE 7 0.905 0.088 -8.337 75 HE2 PHE 7 2HE PHE 7 4.144 2.710 -7.298 76 HZ PHE 7 HZ PHE 7 2.996 1.269 -8.957 77 H GLN 8 H GLN 8 0.184 1.805 -1.296 78 HA GLN 8 HA GLN 8 2.319 1.155 0.344 79 1HB GLN 8 2HB GLN 8 -0.638 1.410 0.987 80 2HB GLN 8 1HB GLN 8 0.642 1.499 2.186 81 1HG GLN 8 2HG GLN 8 1.675 3.349 0.770 82 2HG GLN 8 1HG GLN 8 0.143 3.408 -0.106 83 1HE2 GLN 8 1HE2 GLN 8 1.054 5.635 1.458 84 2HE2 GLN 8 2HE2 GLN 8 0.010 5.821 2.782 85 H ASN 9 H ASN 9 -0.529 -0.789 -0.408 86 HA ASN 9 HA ASN 9 -0.169 -2.943 1.426 87 1HB ASN 9 2HB ASN 9 -2.144 -2.465 -0.049 88 2HB ASN 9 1HB ASN 9 -1.180 -2.985 -1.434 89 1HD2 ASN 9 1HD2 ASN 9 -1.728 -4.307 1.892 90 2HD2 ASN 9 2HD2 ASN 9 -2.078 -5.881 1.360 91 H ARG 10 H ARG 10 1.761 -1.849 -1.135 92 HA ARG 10 HA ARG 10 3.233 -4.434 -1.266 93 1HB ARG 10 2HB ARG 10 3.443 -2.640 -3.588 94 2HB ARG 10 1HB ARG 10 3.121 -4.373 -3.544 95 1HG ARG 10 2HG ARG 10 0.766 -3.639 -2.666 96 2HG ARG 10 1HG ARG 10 1.203 -2.085 -3.337 97 1HD ARG 10 2HD ARG 10 0.230 -3.013 -5.225 98 2HD ARG 10 1HD ARG 10 1.870 -3.634 -5.441 99 HE ARG 10 HE ARG 10 -0.218 -5.344 -5.191 100 1HH1 ARG 10 1HH1 ARG 10 2.573 -6.353 -4.999 101 2HH1 ARG 10 2HH1 ARG 10 2.592 -7.101 -3.436 102 1HH2 ARG 10 1HH2 ARG 10 -0.293 -5.515 -2.348 103 2HH2 ARG 10 2HH2 ARG 10 0.968 -6.627 -1.935 104 H ARG 11 H ARG 11 3.383 -1.292 -0.200 105 HA ARG 11 HA ARG 11 6.307 -0.999 -0.773 106 1HB ARG 11 2HB ARG 11 4.560 1.214 0.246 107 2HB ARG 11 1HB ARG 11 5.901 1.297 -0.893 108 1HG ARG 11 2HG ARG 11 3.953 -0.292 -2.115 109 2HG ARG 11 1HG ARG 11 3.089 1.051 -1.403 110 1HD ARG 11 2HD ARG 11 5.505 1.302 -3.219 111 2HD ARG 11 1HD ARG 11 3.830 1.640 -3.675 112 HE ARG 11 HE ARG 11 5.071 3.063 -1.383 113 1HH1 ARG 11 1HH2 ARG 11 5.733 4.282 -4.027 114 2HH1 ARG 11 2HH2 ARG 11 4.442 5.415 -4.244 115 1HH2 ARG 11 1HH1 ARG 11 2.418 3.978 -1.823 116 2HH2 ARG 11 2HH1 ARG 11 2.565 5.243 -2.998 117 H MET 12 H MET 12 3.761 -0.440 1.614 118 HA MET 12 HA MET 12 5.779 -0.306 3.774 119 1HB MET 12 2HB MET 12 3.621 -0.046 5.167 120 2HB MET 12 1HB MET 12 4.057 1.265 4.076 121 1HG MET 12 2HG MET 12 2.426 0.675 2.541 122 2HG MET 12 1HG MET 12 2.307 -0.970 3.161 123 1HE MET 12 1HE MET 12 1.595 2.603 5.690 124 2HE MET 12 2HE MET 12 0.769 2.919 4.167 125 3HE MET 12 3HE MET 12 2.476 2.482 4.161 126 H LYS 13 H LYS 13 3.356 -2.485 2.511 127 HA LYS 13 HA LYS 13 3.659 -4.411 4.691 128 1HB LYS 13 2HB LYS 13 2.553 -4.922 1.951 129 2HB LYS 13 1HB LYS 13 2.046 -5.636 3.476 130 1HG LYS 13 2HG LYS 13 1.482 -2.878 2.410 131 2HG LYS 13 1HG LYS 13 0.354 -4.111 2.918 132 1HD LYS 13 2HD LYS 13 2.258 -2.993 4.940 133 2HD LYS 13 1HD LYS 13 0.836 -2.054 4.476 134 1HE LYS 13 2HE LYS 13 -0.560 -3.423 5.635 135 2HE LYS 13 1HE LYS 13 0.220 -4.885 4.997 136 1HZ LYS 13 1HZ LYS 13 1.349 -3.121 7.107 137 2HZ LYS 13 2HZ LYS 13 2.066 -4.537 6.500 138 3HZ LYS 13 3HZ LYS 13 0.619 -4.626 7.386 139 H PHE 14 H PHE 14 5.422 -3.401 2.048 140 HA PHE 14 HA PHE 14 6.553 -5.937 1.194 141 1HB PHE 14 2HB PHE 14 6.234 -3.328 0.257 142 2HB PHE 14 1HB PHE 14 7.968 -3.466 0.533 143 HD1 PHE 14 1HD PHE 14 5.260 -5.749 -0.725 144 HD2 PHE 14 2HD PHE 14 9.170 -4.087 -1.360 145 HE1 PHE 14 1HE PHE 14 5.489 -7.081 -2.806 146 HE2 PHE 14 2HE PHE 14 9.399 -5.418 -3.440 147 HZ PHE 14 HZ PHE 14 7.558 -6.916 -4.163 148 H LYS 15 H LYS 15 7.128 -3.594 3.658 149 HA LYS 15 HA LYS 15 9.649 -5.030 4.388 150 1HB LYS 15 2HB LYS 15 10.182 -2.451 5.110 151 2HB LYS 15 1HB LYS 15 10.669 -3.141 3.560 152 1HG LYS 15 2HG LYS 15 9.528 -1.073 3.089 153 2HG LYS 15 1HG LYS 15 8.423 -2.372 2.647 154 1HD LYS 15 2HD LYS 15 6.928 -1.685 4.125 155 2HD LYS 15 1HD LYS 15 8.105 -1.721 5.434 156 1HE LYS 15 2HE LYS 15 7.952 0.566 3.441 157 2HE LYS 15 1HE LYS 15 7.111 0.583 5.004 158 1HZ LYS 15 1HZ LYS 15 9.376 1.550 5.106 159 2HZ LYS 15 2HZ LYS 15 10.013 0.036 4.672 160 3HZ LYS 15 3HZ LYS 15 9.172 0.219 6.136 161 H LYS 16 H LYS 16 6.630 -4.445 5.235 162 HA LYS 16 HA LYS 16 6.498 -3.243 7.714 163 1HB LYS 16 2HB LYS 16 4.476 -4.666 7.953 164 2HB LYS 16 1HB LYS 16 4.627 -3.957 6.342 165 1HG LYS 16 2HG LYS 16 4.029 -6.274 6.055 166 2HG LYS 16 1HG LYS 16 5.719 -6.097 5.585 167 1HD LYS 16 2HD LYS 16 6.450 -7.398 7.274 168 2HD LYS 16 1HD LYS 16 5.352 -6.652 8.438 169 1HE LYS 16 2HE LYS 16 3.475 -8.011 7.513 170 2HE LYS 16 1HE LYS 16 4.619 -8.802 6.411 171 1HZ LYS 16 1HZ LYS 16 5.947 -9.467 8.319 172 2HZ LYS 16 2HZ LYS 16 4.368 -10.078 8.456 173 3HZ LYS 16 3HZ LYS 16 4.842 -8.729 9.374 Start of MODEL 26 1 1H ARG 1 1HT ARG 1 -4.634 7.461 0.986 2 2H ARG 1 2HT ARG 1 -5.338 8.995 1.176 3 3H ARG 1 3HT ARG 1 -5.563 8.127 -0.265 4 HA ARG 1 HA ARG 1 -6.605 7.365 2.416 5 1HB ARG 1 2HB ARG 1 -8.762 7.971 1.396 6 2HB ARG 1 1HB ARG 1 -7.647 9.338 1.328 7 1HG ARG 1 2HG ARG 1 -7.145 8.892 -1.000 8 2HG ARG 1 1HG ARG 1 -8.066 7.389 -0.957 9 1HD ARG 1 2HD ARG 1 -9.538 8.984 -1.961 10 2HD ARG 1 1HD ARG 1 -10.084 8.871 -0.275 11 HE ARG 1 HE ARG 1 -8.391 10.857 0.062 12 1HH1 ARG 1 1HH1 ARG 1 -8.194 10.860 -3.055 13 2HH1 ARG 1 2HH1 ARG 1 -9.204 12.222 -3.412 14 1HH2 ARG 1 1HH2 ARG 1 -10.611 12.346 -0.245 15 2HH2 ARG 1 2HH2 ARG 1 -10.572 13.063 -1.821 16 H GLN 2 H GLN 2 -6.128 6.509 -0.986 17 HA GLN 2 HA GLN 2 -6.717 3.692 -0.322 18 1HB GLN 2 2HB GLN 2 -8.130 5.491 -2.245 19 2HB GLN 2 1HB GLN 2 -8.058 3.750 -2.477 20 1HG GLN 2 2HG GLN 2 -8.858 3.583 -0.031 21 2HG GLN 2 1HG GLN 2 -9.325 5.271 -0.219 22 1HE2 GLN 2 1HE2 GLN 2 -11.375 3.430 0.224 23 2HE2 GLN 2 2HE2 GLN 2 -12.267 3.198 -1.201 24 H ILE 3 H ILE 3 -6.172 5.718 -3.224 25 HA ILE 3 HA ILE 3 -4.883 4.035 -4.881 26 HB ILE 3 HB ILE 3 -3.332 6.106 -5.326 27 1HG1 ILE 3 2HG1 ILE 3 -5.498 7.651 -4.090 28 2HG1 ILE 3 1HG1 ILE 3 -4.410 6.899 -2.935 29 1HG2 ILE 3 1HG2 ILE 3 -6.260 5.705 -5.766 30 2HG2 ILE 3 2HG2 ILE 3 -4.945 5.723 -6.940 31 3HG2 ILE 3 3HG2 ILE 3 -5.539 7.237 -6.258 32 1HD1 ILE 3 1HD1 ILE 3 -2.581 7.841 -4.653 33 2HD1 ILE 3 2HD1 ILE 3 -3.194 8.805 -3.310 34 3HD1 ILE 3 3HD1 ILE 3 -3.852 9.032 -4.930 35 H LYS 4 H LYS 4 -3.284 5.720 -2.195 36 HA LYS 4 HA LYS 4 -0.757 4.383 -2.557 37 1HB LYS 4 2HB LYS 4 -2.121 6.049 -0.458 38 2HB LYS 4 1HB LYS 4 -0.626 5.216 -0.037 39 1HG LYS 4 2HG LYS 4 -0.087 7.439 -0.835 40 2HG LYS 4 1HG LYS 4 0.448 6.258 -2.034 41 1HD LYS 4 2HD LYS 4 -1.335 6.720 -3.470 42 2HD LYS 4 1HD LYS 4 -2.278 7.476 -2.188 43 1HE LYS 4 2HE LYS 4 0.364 8.676 -3.021 44 2HE LYS 4 1HE LYS 4 -1.119 9.052 -3.921 45 1HZ LYS 4 1HZ LYS 4 -2.174 9.522 -1.724 46 2HZ LYS 4 2HZ LYS 4 -0.954 10.622 -2.161 47 3HZ LYS 4 3HZ LYS 4 -0.638 9.409 -1.012 48 H ILE 5 H ILE 5 -3.613 3.905 -0.564 49 HA ILE 5 HA ILE 5 -2.789 1.760 1.081 50 HB ILE 5 HB ILE 5 -5.434 2.195 -0.374 51 1HG1 ILE 5 2HG1 ILE 5 -5.172 4.244 0.675 52 2HG1 ILE 5 1HG1 ILE 5 -5.843 3.333 2.019 53 1HG2 ILE 5 1HG2 ILE 5 -4.974 0.021 0.970 54 2HG2 ILE 5 2HG2 ILE 5 -6.439 0.923 1.356 55 3HG2 ILE 5 3HG2 ILE 5 -5.023 1.052 2.399 56 1HD1 ILE 5 1HD1 ILE 5 -2.969 4.103 1.506 57 2HD1 ILE 5 2HD1 ILE 5 -3.377 2.781 2.600 58 3HD1 ILE 5 3HD1 ILE 5 -3.948 4.414 2.939 59 H PHE 6 H PHE 6 -3.567 1.958 -2.301 60 HA PHE 6 HA PHE 6 -3.653 -0.952 -2.743 61 1HB PHE 6 2HB PHE 6 -4.081 1.538 -4.188 62 2HB PHE 6 1HB PHE 6 -3.080 0.443 -5.142 63 HD1 PHE 6 1HD PHE 6 -6.388 1.330 -4.409 64 HD2 PHE 6 2HD PHE 6 -3.907 -2.120 -5.036 65 HE1 PHE 6 1HE PHE 6 -8.396 -0.008 -4.981 66 HE2 PHE 6 2HE PHE 6 -5.915 -3.459 -5.608 67 HZ PHE 6 HZ PHE 6 -8.158 -2.403 -5.581 68 H PHE 7 H PHE 7 -1.311 1.676 -2.965 69 HA PHE 7 HA PHE 7 0.861 -0.090 -3.943 70 1HB PHE 7 2HB PHE 7 0.171 2.616 -4.120 71 2HB PHE 7 1HB PHE 7 1.501 2.606 -2.961 72 HD1 PHE 7 1HD PHE 7 3.746 2.215 -3.657 73 HD2 PHE 7 2HD PHE 7 0.496 1.510 -6.377 74 HE1 PHE 7 1HE PHE 7 5.364 1.919 -5.514 75 HE2 PHE 7 2HE PHE 7 2.114 1.214 -8.233 76 HZ PHE 7 HZ PHE 7 4.547 1.420 -7.802 77 H GLN 8 H GLN 8 -0.015 1.779 -1.041 78 HA GLN 8 HA GLN 8 2.202 1.208 0.605 79 1HB GLN 8 2HB GLN 8 -0.756 1.519 1.172 80 2HB GLN 8 1HB GLN 8 0.478 1.522 2.421 81 1HG GLN 8 2HG GLN 8 1.626 3.336 0.957 82 2HG GLN 8 1HG GLN 8 0.020 3.565 0.261 83 1HE2 GLN 8 1HE2 GLN 8 -1.420 2.923 2.771 84 2HE2 GLN 8 2HE2 GLN 8 -1.164 4.234 3.820 85 H ASN 9 H ASN 9 -0.683 -0.673 -0.134 86 HA ASN 9 HA ASN 9 -0.272 -2.850 1.662 87 1HB ASN 9 2HB ASN 9 -2.312 -2.295 0.283 88 2HB ASN 9 1HB ASN 9 -1.425 -2.850 -1.140 89 1HD2 ASN 9 1HD2 ASN 9 -3.283 -3.898 1.606 90 2HD2 ASN 9 2HD2 ASN 9 -3.110 -5.566 1.349 91 H ARG 10 H ARG 10 1.526 -1.774 -1.011 92 HA ARG 10 HA ARG 10 2.969 -4.373 -1.190 93 1HB ARG 10 2HB ARG 10 3.090 -2.921 -3.664 94 2HB ARG 10 1HB ARG 10 2.379 -4.508 -3.367 95 1HG ARG 10 2HG ARG 10 0.300 -3.363 -2.585 96 2HG ARG 10 1HG ARG 10 1.037 -1.829 -3.009 97 1HD ARG 10 2HD ARG 10 -0.010 -2.200 -5.031 98 2HD ARG 10 1HD ARG 10 1.404 -3.211 -5.338 99 HE ARG 10 HE ARG 10 -1.106 -4.282 -5.264 100 1HH1 ARG 10 1HH1 ARG 10 1.477 -5.891 -5.316 101 2HH1 ARG 10 2HH1 ARG 10 1.253 -6.930 -3.949 102 1HH2 ARG 10 1HH2 ARG 10 -1.328 -5.044 -2.605 103 2HH2 ARG 10 2HH2 ARG 10 -0.336 -6.451 -2.415 104 H ARG 11 H ARG 11 3.320 -1.351 -0.061 105 HA ARG 11 HA ARG 11 6.118 -1.130 -1.086 106 1HB ARG 11 2HB ARG 11 5.743 1.129 -1.461 107 2HB ARG 11 1HB ARG 11 4.109 0.533 -1.702 108 1HG ARG 11 2HG ARG 11 3.514 2.065 -0.208 109 2HG ARG 11 1HG ARG 11 4.187 0.990 1.001 110 1HD ARG 11 2HD ARG 11 5.593 3.287 -0.399 111 2HD ARG 11 1HD ARG 11 5.177 3.178 1.312 112 HE ARG 11 HE ARG 11 7.005 1.188 0.076 113 1HH1 ARG 11 1HH1 ARG 11 5.871 2.339 2.978 114 2HH1 ARG 11 2HH1 ARG 11 7.423 2.586 3.707 115 1HH2 ARG 11 1HH2 ARG 11 9.182 2.040 0.769 116 2HH2 ARG 11 2HH2 ARG 11 9.298 2.417 2.456 117 H MET 12 H MET 12 3.876 -0.673 1.573 118 HA MET 12 HA MET 12 6.171 -0.410 3.467 119 1HB MET 12 2HB MET 12 4.078 -0.057 5.055 120 2HB MET 12 1HB MET 12 4.648 1.254 4.030 121 1HG MET 12 2HG MET 12 2.886 1.053 2.582 122 2HG MET 12 1HG MET 12 2.680 -0.655 2.917 123 1HE MET 12 1HE MET 12 1.174 3.051 4.639 124 2HE MET 12 2HE MET 12 2.833 2.693 4.167 125 3HE MET 12 3HE MET 12 2.356 2.556 5.857 126 H LYS 13 H LYS 13 3.422 -2.410 2.564 127 HA LYS 13 HA LYS 13 3.730 -4.347 4.701 128 1HB LYS 13 2HB LYS 13 2.591 -4.778 1.945 129 2HB LYS 13 1HB LYS 13 2.114 -5.573 3.440 130 1HG LYS 13 2HG LYS 13 1.454 -2.816 2.460 131 2HG LYS 13 1HG LYS 13 0.398 -4.045 3.119 132 1HD LYS 13 2HD LYS 13 2.473 -2.867 4.925 133 2HD LYS 13 1HD LYS 13 1.040 -1.912 4.539 134 1HE LYS 13 2HE LYS 13 0.258 -3.086 6.396 135 2HE LYS 13 1HE LYS 13 -0.188 -4.228 5.113 136 1HZ LYS 13 1HZ LYS 13 1.136 -5.238 6.948 137 2HZ LYS 13 2HZ LYS 13 2.439 -4.244 6.497 138 3HZ LYS 13 3HZ LYS 13 1.840 -5.409 5.415 139 H PHE 14 H PHE 14 5.376 -3.489 1.872 140 HA PHE 14 HA PHE 14 6.530 -6.011 1.075 141 1HB PHE 14 2HB PHE 14 6.230 -3.460 0.094 142 2HB PHE 14 1HB PHE 14 7.917 -3.429 0.592 143 HD1 PHE 14 1HD PHE 14 7.131 -3.161 -2.263 144 HD2 PHE 14 2HD PHE 14 7.958 -6.680 0.065 145 HE1 PHE 14 1HE PHE 14 7.773 -4.377 -4.322 146 HE2 PHE 14 2HE PHE 14 8.599 -7.889 -1.997 147 HZ PHE 14 HZ PHE 14 8.508 -6.740 -4.191 148 H LYS 15 H LYS 15 7.076 -3.680 3.558 149 HA LYS 15 HA LYS 15 9.546 -5.128 4.390 150 1HB LYS 15 2HB LYS 15 10.448 -2.798 4.958 151 2HB LYS 15 1HB LYS 15 10.352 -3.185 3.242 152 1HG LYS 15 2HG LYS 15 7.841 -2.104 3.868 153 2HG LYS 15 1HG LYS 15 8.989 -1.101 4.747 154 1HD LYS 15 2HD LYS 15 9.109 -1.759 1.791 155 2HD LYS 15 1HD LYS 15 8.636 -0.209 2.488 156 1HE LYS 15 2HE LYS 15 10.853 0.156 3.387 157 2HE LYS 15 1HE LYS 15 11.354 -1.488 2.945 158 1HZ LYS 15 1HZ LYS 15 10.620 0.743 1.136 159 2HZ LYS 15 2HZ LYS 15 10.673 -0.872 0.608 160 3HZ LYS 15 3HZ LYS 15 12.080 -0.119 1.189 161 H LYS 16 H LYS 16 6.514 -4.398 5.166 162 HA LYS 16 HA LYS 16 6.474 -3.132 7.634 163 1HB LYS 16 2HB LYS 16 4.319 -4.326 7.863 164 2HB LYS 16 1HB LYS 16 4.560 -3.680 6.236 165 1HG LYS 16 2HG LYS 16 3.735 -5.931 5.996 166 2HG LYS 16 1HG LYS 16 5.443 -5.944 5.560 167 1HD LYS 16 2HD LYS 16 6.002 -7.265 7.294 168 2HD LYS 16 1HD LYS 16 4.969 -6.376 8.417 169 1HE LYS 16 2HE LYS 16 3.245 -7.855 8.168 170 2HE LYS 16 1HE LYS 16 3.478 -7.959 6.411 171 1HZ LYS 16 1HZ LYS 16 5.283 -9.187 8.428 172 2HZ LYS 16 2HZ LYS 16 5.395 -9.344 6.740 173 3HZ LYS 16 3HZ LYS 16 4.086 -10.034 7.575 Start of MODEL 27 1 1H ARG 1 1HT ARG 1 -6.677 9.254 2.760 2 2H ARG 1 2HT ARG 1 -5.269 10.136 2.409 3 3H ARG 1 3HT ARG 1 -5.156 8.521 2.921 4 HA ARG 1 HA ARG 1 -6.589 9.246 0.433 5 1HB ARG 1 2HB ARG 1 -4.474 8.992 -0.737 6 2HB ARG 1 1HB ARG 1 -4.253 10.188 0.539 7 1HG ARG 1 2HG ARG 1 -3.630 7.900 1.879 8 2HG ARG 1 1HG ARG 1 -3.085 7.486 0.254 9 1HD ARG 1 2HD ARG 1 -2.315 10.027 1.729 10 2HD ARG 1 1HD ARG 1 -1.278 8.596 1.553 11 HE ARG 1 HE ARG 1 -1.412 8.942 -0.920 12 1HH1 ARG 1 1HH1 ARG 1 -0.435 11.431 0.829 13 2HH1 ARG 1 2HH1 ARG 1 -1.059 12.705 -0.167 14 1HH2 ARG 1 1HH2 ARG 1 -3.064 10.602 -2.060 15 2HH2 ARG 1 2HH2 ARG 1 -2.547 12.235 -1.802 16 H GLN 2 H GLN 2 -6.118 7.226 -1.088 17 HA GLN 2 HA GLN 2 -6.005 4.707 0.470 18 1HB GLN 2 2HB GLN 2 -8.224 5.814 -1.212 19 2HB GLN 2 1HB GLN 2 -8.027 4.085 -0.962 20 1HG GLN 2 2HG GLN 2 -7.969 4.553 1.527 21 2HG GLN 2 1HG GLN 2 -8.484 6.195 1.144 22 1HE2 GLN 2 1HE2 GLN 2 -10.688 6.289 1.647 23 2HE2 GLN 2 2HE2 GLN 2 -11.839 5.140 1.163 24 H ILE 3 H ILE 3 -5.990 6.269 -2.742 25 HA ILE 3 HA ILE 3 -5.509 4.110 -4.370 26 HB ILE 3 HB ILE 3 -4.379 5.688 -5.822 27 1HG1 ILE 3 2HG1 ILE 3 -2.844 6.528 -4.049 28 2HG1 ILE 3 1HG1 ILE 3 -3.521 7.787 -5.046 29 1HG2 ILE 3 1HG2 ILE 3 -6.863 6.227 -4.527 30 2HG2 ILE 3 2HG2 ILE 3 -6.355 6.687 -6.150 31 3HG2 ILE 3 3HG2 ILE 3 -6.045 7.767 -4.791 32 1HD1 ILE 3 1HD1 ILE 3 -4.231 7.098 -2.206 33 2HD1 ILE 3 2HD1 ILE 3 -5.311 8.050 -3.219 34 3HD1 ILE 3 3HD1 ILE 3 -3.692 8.642 -2.856 35 H LYS 4 H LYS 4 -3.296 5.689 -2.133 36 HA LYS 4 HA LYS 4 -0.942 4.215 -2.823 37 1HB LYS 4 2HB LYS 4 -1.977 5.932 -0.614 38 2HB LYS 4 1HB LYS 4 -0.582 4.925 -0.243 39 1HG LYS 4 2HG LYS 4 0.259 7.014 -1.042 40 2HG LYS 4 1HG LYS 4 0.493 5.838 -2.338 41 1HD LYS 4 2HD LYS 4 -1.340 6.641 -3.554 42 2HD LYS 4 1HD LYS 4 -1.985 7.508 -2.166 43 1HE LYS 4 2HE LYS 4 -1.000 9.291 -3.300 44 2HE LYS 4 1HE LYS 4 0.396 8.757 -2.342 45 1HZ LYS 4 1HZ LYS 4 0.971 8.889 -4.689 46 2HZ LYS 4 2HZ LYS 4 -0.292 7.821 -5.079 47 3HZ LYS 4 3HZ LYS 4 1.026 7.281 -4.154 48 H ILE 5 H ILE 5 -3.633 3.692 -0.615 49 HA ILE 5 HA ILE 5 -2.712 1.569 0.952 50 HB ILE 5 HB ILE 5 -5.338 2.316 -0.322 51 1HG1 ILE 5 2HG1 ILE 5 -5.763 3.395 1.665 52 2HG1 ILE 5 1HG1 ILE 5 -4.852 2.240 2.591 53 1HG2 ILE 5 1HG2 ILE 5 -6.261 0.704 1.526 54 2HG2 ILE 5 2HG2 ILE 5 -4.678 -0.062 1.399 55 3HG2 ILE 5 3HG2 ILE 5 -5.732 0.026 -0.013 56 1HD1 ILE 5 1HD1 ILE 5 -3.668 4.345 2.667 57 2HD1 ILE 5 2HD1 ILE 5 -3.720 4.481 0.914 58 3HD1 ILE 5 3HD1 ILE 5 -2.733 3.233 1.675 59 H PHE 6 H PHE 6 -3.709 1.756 -2.374 60 HA PHE 6 HA PHE 6 -3.793 -1.124 -2.899 61 1HB PHE 6 2HB PHE 6 -4.308 1.363 -4.232 62 2HB PHE 6 1HB PHE 6 -3.176 0.450 -5.228 63 HD1 PHE 6 1HD PHE 6 -6.545 1.031 -4.766 64 HD2 PHE 6 2HD PHE 6 -3.792 -2.242 -5.170 65 HE1 PHE 6 1HE PHE 6 -8.396 -0.430 -5.534 66 HE2 PHE 6 2HE PHE 6 -5.644 -3.703 -5.939 67 HZ PHE 6 HZ PHE 6 -7.944 -2.797 -6.121 68 H PHE 7 H PHE 7 -1.416 1.470 -3.161 69 HA PHE 7 HA PHE 7 0.712 -0.336 -4.150 70 1HB PHE 7 2HB PHE 7 0.085 2.488 -4.050 71 2HB PHE 7 1HB PHE 7 1.664 2.221 -3.313 72 HD1 PHE 7 1HD PHE 7 2.855 0.049 -4.765 73 HD2 PHE 7 2HD PHE 7 0.352 3.208 -6.252 74 HE1 PHE 7 1HE PHE 7 3.852 -0.221 -7.019 75 HE2 PHE 7 2HE PHE 7 1.350 2.937 -8.506 76 HZ PHE 7 HZ PHE 7 3.100 1.223 -8.890 77 H GLN 8 H GLN 8 0.147 1.739 -1.279 78 HA GLN 8 HA GLN 8 2.282 1.071 0.352 79 1HB GLN 8 2HB GLN 8 -0.678 1.309 0.987 80 2HB GLN 8 1HB GLN 8 0.595 1.363 2.199 81 1HG GLN 8 2HG GLN 8 1.643 3.254 0.877 82 2HG GLN 8 1HG GLN 8 0.152 3.321 -0.066 83 1HE2 GLN 8 1HE2 GLN 8 0.731 5.599 1.372 84 2HE2 GLN 8 2HE2 GLN 8 -0.270 5.725 2.736 85 H ASN 9 H ASN 9 -0.534 -0.879 -0.466 86 HA ASN 9 HA ASN 9 -0.173 -3.066 1.336 87 1HB ASN 9 2HB ASN 9 -2.154 -2.563 -0.119 88 2HB ASN 9 1HB ASN 9 -1.191 -3.039 -1.522 89 1HD2 ASN 9 1HD2 ASN 9 -3.317 -4.237 0.854 90 2HD2 ASN 9 2HD2 ASN 9 -2.988 -5.891 0.661 91 H ARG 10 H ARG 10 1.769 -1.901 -1.175 92 HA ARG 10 HA ARG 10 3.259 -4.471 -1.376 93 1HB ARG 10 2HB ARG 10 3.430 -2.650 -3.676 94 2HB ARG 10 1HB ARG 10 3.111 -4.384 -3.649 95 1HG ARG 10 2HG ARG 10 0.764 -3.677 -2.749 96 2HG ARG 10 1HG ARG 10 1.189 -2.105 -3.380 97 1HD ARG 10 2HD ARG 10 0.199 -2.992 -5.282 98 2HD ARG 10 1HD ARG 10 1.844 -3.584 -5.532 99 HE ARG 10 HE ARG 10 -0.236 -5.320 -5.290 100 1HH1 ARG 10 1HH1 ARG 10 2.471 -6.431 -5.315 101 2HH1 ARG 10 2HH1 ARG 10 2.609 -7.186 -3.761 102 1HH2 ARG 10 1HH2 ARG 10 -0.087 -5.483 -2.399 103 2HH2 ARG 10 2HH2 ARG 10 1.160 -6.649 -2.111 104 H ARG 11 H ARG 11 3.376 -1.350 -0.255 105 HA ARG 11 HA ARG 11 6.286 -1.010 -0.871 106 1HB ARG 11 2HB ARG 11 4.532 1.161 0.221 107 2HB ARG 11 1HB ARG 11 5.856 1.284 -0.934 108 1HG ARG 11 2HG ARG 11 3.921 -0.290 -2.180 109 2HG ARG 11 1HG ARG 11 3.035 1.003 -1.405 110 1HD ARG 11 2HD ARG 11 5.415 1.384 -3.246 111 2HD ARG 11 1HD ARG 11 3.723 1.698 -3.663 112 HE ARG 11 HE ARG 11 4.975 3.062 -1.340 113 1HH1 ARG 11 1HH1 ARG 11 5.423 4.263 -4.110 114 2HH1 ARG 11 2HH1 ARG 11 4.140 5.425 -4.181 115 1HH2 ARG 11 1HH2 ARG 11 2.394 4.054 -1.518 116 2HH2 ARG 11 2HH2 ARG 11 2.426 5.306 -2.713 117 H MET 12 H MET 12 3.792 -0.414 1.558 118 HA MET 12 HA MET 12 5.833 -0.334 3.696 119 1HB MET 12 2HB MET 12 3.717 -0.084 5.125 120 2HB MET 12 1HB MET 12 4.085 1.218 4.003 121 1HG MET 12 2HG MET 12 2.431 0.565 2.521 122 2HG MET 12 1HG MET 12 2.357 -1.067 3.173 123 1HE MET 12 1HE MET 12 2.277 -1.329 5.609 124 2HE MET 12 2HE MET 12 0.647 -1.132 6.247 125 3HE MET 12 3HE MET 12 1.920 -0.022 6.745 126 H LYS 13 H LYS 13 3.309 -2.492 2.517 127 HA LYS 13 HA LYS 13 3.613 -4.470 4.617 128 1HB LYS 13 2HB LYS 13 2.709 -4.908 1.778 129 2HB LYS 13 1HB LYS 13 2.183 -5.770 3.218 130 1HG LYS 13 2HG LYS 13 1.434 -3.017 2.279 131 2HG LYS 13 1HG LYS 13 0.398 -4.343 2.761 132 1HD LYS 13 2HD LYS 13 2.214 -3.105 4.801 133 2HD LYS 13 1HD LYS 13 0.712 -2.290 4.356 134 1HE LYS 13 2HE LYS 13 -0.117 -3.646 6.041 135 2HE LYS 13 1HE LYS 13 -0.236 -4.806 4.703 136 1HZ LYS 13 1HZ LYS 13 2.225 -4.467 6.322 137 2HZ LYS 13 2HZ LYS 13 1.859 -5.719 5.232 138 3HZ LYS 13 3HZ LYS 13 1.030 -5.605 6.711 139 H PHE 14 H PHE 14 5.390 -3.432 1.935 140 HA PHE 14 HA PHE 14 6.768 -5.873 1.207 141 1HB PHE 14 2HB PHE 14 6.321 -3.297 0.248 142 2HB PHE 14 1HB PHE 14 8.032 -3.278 0.666 143 HD1 PHE 14 1HD PHE 14 5.505 -5.441 -1.072 144 HD2 PHE 14 2HD PHE 14 9.589 -4.124 -0.862 145 HE1 PHE 14 1HE PHE 14 6.029 -6.733 -3.123 146 HE2 PHE 14 2HE PHE 14 10.111 -5.416 -2.913 147 HZ PHE 14 HZ PHE 14 8.332 -6.720 -4.043 148 H LYS 15 H LYS 15 6.979 -3.549 3.733 149 HA LYS 15 HA LYS 15 9.533 -4.779 4.652 150 1HB LYS 15 2HB LYS 15 10.202 -2.396 5.310 151 2HB LYS 15 1HB LYS 15 10.221 -2.747 3.585 152 1HG LYS 15 2HG LYS 15 7.598 -1.905 4.106 153 2HG LYS 15 1HG LYS 15 8.609 -0.827 5.061 154 1HD LYS 15 2HD LYS 15 8.973 -1.418 2.111 155 2HD LYS 15 1HD LYS 15 8.267 0.056 2.780 156 1HE LYS 15 2HE LYS 15 10.664 -0.124 4.158 157 2HE LYS 15 1HE LYS 15 11.098 -0.691 2.533 158 1HZ LYS 15 1HZ LYS 15 10.114 1.227 1.563 159 2HZ LYS 15 2HZ LYS 15 11.139 1.778 2.801 160 3HZ LYS 15 3HZ LYS 15 9.458 1.731 3.044 161 H LYS 16 H LYS 16 6.413 -4.334 5.281 162 HA LYS 16 HA LYS 16 6.141 -3.147 7.776 163 1HB LYS 16 2HB LYS 16 4.074 -4.510 7.848 164 2HB LYS 16 1HB LYS 16 4.347 -3.785 6.261 165 1HG LYS 16 2HG LYS 16 3.717 -6.076 5.889 166 2HG LYS 16 1HG LYS 16 5.445 -5.952 5.561 167 1HD LYS 16 2HD LYS 16 5.992 -7.295 7.283 168 2HD LYS 16 1HD LYS 16 4.835 -6.521 8.368 169 1HE LYS 16 2HE LYS 16 3.281 -7.924 6.450 170 2HE LYS 16 1HE LYS 16 4.565 -9.036 6.965 171 1HZ LYS 16 1HZ LYS 16 2.832 -9.202 8.561 172 2HZ LYS 16 2HZ LYS 16 2.694 -7.514 8.696 173 3HZ LYS 16 3HZ LYS 16 4.075 -8.306 9.289 Start of MODEL 28 1 1H ARG 1 1HT ARG 1 -7.135 8.899 -1.161 2 2H ARG 1 2HT ARG 1 -5.450 9.050 -1.317 3 3H ARG 1 3HT ARG 1 -6.356 10.296 -0.600 4 HA ARG 1 HA ARG 1 -5.116 8.861 1.018 5 1HB ARG 1 2HB ARG 1 -7.138 8.785 2.490 6 2HB ARG 1 1HB ARG 1 -6.997 10.308 1.607 7 1HG ARG 1 2HG ARG 1 -8.806 9.856 0.259 8 2HG ARG 1 1HG ARG 1 -8.531 8.115 0.292 9 1HD ARG 1 2HD ARG 1 -10.490 8.403 1.607 10 2HD ARG 1 1HD ARG 1 -9.195 8.290 2.814 11 HE ARG 1 HE ARG 1 -9.277 10.701 3.080 12 1HH1 ARG 1 1HH1 ARG 1 -12.227 9.834 3.085 13 2HH1 ARG 1 2HH1 ARG 1 -12.920 11.049 2.065 14 1HH2 ARG 1 1HH2 ARG 1 -9.870 12.092 0.787 15 2HH2 ARG 1 2HH2 ARG 1 -11.586 12.328 0.763 16 H GLN 2 H GLN 2 -6.250 7.136 -1.459 17 HA GLN 2 HA GLN 2 -6.297 4.611 0.099 18 1HB GLN 2 2HB GLN 2 -8.193 5.616 -2.016 19 2HB GLN 2 1HB GLN 2 -8.078 3.932 -1.530 20 1HG GLN 2 2HG GLN 2 -8.301 4.946 0.890 21 2HG GLN 2 1HG GLN 2 -9.093 6.260 0.022 22 1HE2 GLN 2 1HE2 GLN 2 -10.256 4.092 1.848 23 2HE2 GLN 2 2HE2 GLN 2 -11.478 3.370 0.918 24 H ILE 3 H ILE 3 -5.950 6.118 -3.123 25 HA ILE 3 HA ILE 3 -5.098 4.092 -4.705 26 HB ILE 3 HB ILE 3 -3.282 5.833 -5.443 27 1HG1 ILE 3 2HG1 ILE 3 -5.001 7.845 -4.206 28 2HG1 ILE 3 1HG1 ILE 3 -4.045 6.954 -3.036 29 1HG2 ILE 3 1HG2 ILE 3 -6.069 6.887 -5.618 30 2HG2 ILE 3 2HG2 ILE 3 -5.748 5.284 -6.280 31 3HG2 ILE 3 3HG2 ILE 3 -4.866 6.684 -6.891 32 1HD1 ILE 3 1HD1 ILE 3 -2.677 8.789 -3.685 33 2HD1 ILE 3 2HD1 ILE 3 -3.048 8.553 -5.394 34 3HD1 ILE 3 3HD1 ILE 3 -2.033 7.388 -4.542 35 H LYS 4 H LYS 4 -3.242 5.618 -2.149 36 HA LYS 4 HA LYS 4 -0.819 4.106 -2.501 37 1HB LYS 4 2HB LYS 4 -1.970 5.383 0.007 38 2HB LYS 4 1HB LYS 4 -0.267 5.076 -0.324 39 1HG LYS 4 2HG LYS 4 -2.082 7.120 -1.573 40 2HG LYS 4 1HG LYS 4 -0.502 7.353 -0.823 41 1HD LYS 4 2HD LYS 4 -1.029 5.894 -3.425 42 2HD LYS 4 1HD LYS 4 -0.330 7.486 -3.250 43 1HE LYS 4 2HE LYS 4 1.288 5.997 -1.590 44 2HE LYS 4 1HE LYS 4 0.962 4.877 -2.928 45 1HZ LYS 4 1HZ LYS 4 2.823 6.320 -3.468 46 2HZ LYS 4 2HZ LYS 4 1.867 7.697 -3.196 47 3HZ LYS 4 3HZ LYS 4 1.509 6.653 -4.487 48 H ILE 5 H ILE 5 -3.762 3.645 -0.623 49 HA ILE 5 HA ILE 5 -3.016 1.532 1.044 50 HB ILE 5 HB ILE 5 -5.500 2.241 -0.521 51 1HG1 ILE 5 2HG1 ILE 5 -6.142 3.364 1.382 52 2HG1 ILE 5 1HG1 ILE 5 -5.339 2.234 2.430 53 1HG2 ILE 5 1HG2 ILE 5 -6.071 0.038 -0.193 54 2HG2 ILE 5 2HG2 ILE 5 -6.494 0.647 1.408 55 3HG2 ILE 5 3HG2 ILE 5 -4.947 -0.161 1.152 56 1HD1 ILE 5 1HD1 ILE 5 -4.039 4.452 0.850 57 2HD1 ILE 5 2HD1 ILE 5 -3.132 3.220 1.725 58 3HD1 ILE 5 3HD1 ILE 5 -4.170 4.336 2.600 59 H PHE 6 H PHE 6 -3.645 1.712 -2.375 60 HA PHE 6 HA PHE 6 -3.589 -1.193 -2.854 61 1HB PHE 6 2HB PHE 6 -4.256 1.214 -4.232 62 2HB PHE 6 1HB PHE 6 -2.979 0.435 -5.166 63 HD1 PHE 6 1HD PHE 6 -3.338 -2.347 -5.018 64 HD2 PHE 6 2HD PHE 6 -6.379 0.686 -5.022 65 HE1 PHE 6 1HE PHE 6 -4.975 -3.991 -5.891 66 HE2 PHE 6 2HE PHE 6 -8.017 -0.958 -5.896 67 HZ PHE 6 HZ PHE 6 -7.316 -3.296 -6.331 68 H PHE 7 H PHE 7 -1.346 1.542 -3.066 69 HA PHE 7 HA PHE 7 0.906 -0.147 -3.988 70 1HB PHE 7 2HB PHE 7 0.138 2.514 -4.213 71 2HB PHE 7 1HB PHE 7 1.392 2.582 -2.974 72 HD1 PHE 7 1HD PHE 7 3.394 0.727 -3.612 73 HD2 PHE 7 2HD PHE 7 0.958 2.977 -6.343 74 HE1 PHE 7 1HE PHE 7 5.139 0.497 -5.359 75 HE2 PHE 7 2HE PHE 7 2.702 2.747 -8.090 76 HZ PHE 7 HZ PHE 7 4.793 1.507 -7.598 77 H GLN 8 H GLN 8 -0.114 1.653 -1.101 78 HA GLN 8 HA GLN 8 2.082 1.178 0.605 79 1HB GLN 8 2HB GLN 8 -0.904 1.337 1.073 80 2HB GLN 8 1HB GLN 8 0.280 1.383 2.370 81 1HG GLN 8 2HG GLN 8 1.400 3.297 1.115 82 2HG GLN 8 1HG GLN 8 -0.061 3.389 0.129 83 1HE2 GLN 8 1HE2 GLN 8 0.696 5.558 1.833 84 2HE2 GLN 8 2HE2 GLN 8 -0.440 5.681 3.089 85 H ASN 9 H ASN 9 -0.697 -0.828 -0.215 86 HA ASN 9 HA ASN 9 -0.235 -2.997 1.573 87 1HB ASN 9 2HB ASN 9 -2.262 -2.534 0.152 88 2HB ASN 9 1HB ASN 9 -1.316 -3.020 -1.258 89 1HD2 ASN 9 1HD2 ASN 9 -3.336 -4.204 1.241 90 2HD2 ASN 9 2HD2 ASN 9 -3.007 -5.858 1.042 91 H ARG 10 H ARG 10 1.592 -1.819 -1.033 92 HA ARG 10 HA ARG 10 3.145 -4.356 -1.197 93 1HB ARG 10 2HB ARG 10 3.288 -2.832 -3.634 94 2HB ARG 10 1HB ARG 10 2.656 -4.463 -3.401 95 1HG ARG 10 2HG ARG 10 0.493 -3.453 -2.660 96 2HG ARG 10 1HG ARG 10 1.155 -1.872 -3.022 97 1HD ARG 10 2HD ARG 10 0.177 -2.250 -5.077 98 2HD ARG 10 1HD ARG 10 1.667 -3.148 -5.375 99 HE ARG 10 HE ARG 10 -0.748 -4.401 -5.427 100 1HH1 ARG 10 1HH1 ARG 10 1.943 -5.824 -5.368 101 2HH1 ARG 10 2HH1 ARG 10 1.720 -6.906 -4.034 102 1HH2 ARG 10 1HH2 ARG 10 -1.058 -5.234 -2.801 103 2HH2 ARG 10 2HH2 ARG 10 0.021 -6.571 -2.580 104 H ARG 11 H ARG 11 3.307 -1.264 -0.089 105 HA ARG 11 HA ARG 11 6.138 -0.944 -0.984 106 1HB ARG 11 2HB ARG 11 5.680 1.303 -1.304 107 2HB ARG 11 1HB ARG 11 4.068 0.664 -1.576 108 1HG ARG 11 2HG ARG 11 3.428 2.147 -0.045 109 2HG ARG 11 1HG ARG 11 4.091 1.031 1.132 110 1HD ARG 11 2HD ARG 11 5.485 3.410 -0.138 111 2HD ARG 11 1HD ARG 11 5.049 3.211 1.559 112 HE ARG 11 HE ARG 11 6.940 1.331 0.242 113 1HH1 ARG 11 1HH1 ARG 11 5.695 2.344 3.174 114 2HH1 ARG 11 2HH1 ARG 11 7.222 2.512 3.973 115 1HH2 ARG 11 1HH2 ARG 11 9.084 2.044 1.087 116 2HH2 ARG 11 2HH2 ARG 11 9.139 2.343 2.792 117 H MET 12 H MET 12 3.812 -0.675 1.627 118 HA MET 12 HA MET 12 6.047 -0.385 3.590 119 1HB MET 12 2HB MET 12 3.892 -0.138 5.124 120 2HB MET 12 1HB MET 12 4.461 1.213 4.151 121 1HG MET 12 2HG MET 12 2.769 0.986 2.615 122 2HG MET 12 1HG MET 12 2.567 -0.723 2.949 123 1HE MET 12 1HE MET 12 1.924 2.800 3.705 124 2HE MET 12 2HE MET 12 2.562 2.568 5.331 125 3HE MET 12 3HE MET 12 0.845 2.888 5.105 126 H LYS 13 H LYS 13 3.385 -2.452 2.577 127 HA LYS 13 HA LYS 13 3.735 -4.438 4.672 128 1HB LYS 13 2HB LYS 13 2.631 -4.848 1.902 129 2HB LYS 13 1HB LYS 13 2.151 -5.661 3.385 130 1HG LYS 13 2HG LYS 13 1.448 -2.913 2.410 131 2HG LYS 13 1HG LYS 13 0.409 -4.170 3.041 132 1HD LYS 13 2HD LYS 13 2.408 -3.047 4.935 133 2HD LYS 13 1HD LYS 13 1.070 -1.997 4.462 134 1HE LYS 13 2HE LYS 13 0.511 -3.333 6.490 135 2HE LYS 13 1HE LYS 13 -0.542 -3.764 5.129 136 1HZ LYS 13 1HZ LYS 13 2.024 -5.162 5.571 137 2HZ LYS 13 2HZ LYS 13 0.670 -5.679 4.684 138 3HZ LYS 13 3HZ LYS 13 0.619 -5.658 6.382 139 H PHE 14 H PHE 14 5.369 -3.427 1.897 140 HA PHE 14 HA PHE 14 6.608 -5.896 1.034 141 1HB PHE 14 2HB PHE 14 6.223 -3.250 0.180 142 2HB PHE 14 1HB PHE 14 7.959 -3.369 0.444 143 HD1 PHE 14 1HD PHE 14 9.308 -4.271 -1.243 144 HD2 PHE 14 2HD PHE 14 5.137 -5.291 -1.110 145 HE1 PHE 14 1HE PHE 14 9.548 -5.528 -3.367 146 HE2 PHE 14 2HE PHE 14 5.378 -6.549 -3.234 147 HZ PHE 14 HZ PHE 14 7.582 -6.667 -4.362 148 H LYS 15 H LYS 15 7.056 -3.653 3.601 149 HA LYS 15 HA LYS 15 9.624 -4.984 4.320 150 1HB LYS 15 2HB LYS 15 10.423 -2.657 4.980 151 2HB LYS 15 1HB LYS 15 10.262 -2.923 3.247 152 1HG LYS 15 2HG LYS 15 7.732 -2.042 4.055 153 2HG LYS 15 1HG LYS 15 8.857 -1.044 4.970 154 1HD LYS 15 2HD LYS 15 8.884 -1.462 1.969 155 2HD LYS 15 1HD LYS 15 8.363 0.001 2.810 156 1HE LYS 15 2HE LYS 15 10.499 0.740 2.981 157 2HE LYS 15 1HE LYS 15 11.032 -0.804 3.675 158 1HZ LYS 15 1HZ LYS 15 10.391 -0.496 0.799 159 2HZ LYS 15 2HZ LYS 15 11.234 -1.763 1.555 160 3HZ LYS 15 3HZ LYS 15 11.953 -0.230 1.403 161 H LYS 16 H LYS 16 6.551 -4.394 5.159 162 HA LYS 16 HA LYS 16 6.474 -3.298 7.697 163 1HB LYS 16 2HB LYS 16 4.381 -4.617 7.864 164 2HB LYS 16 1HB LYS 16 4.575 -3.850 6.285 165 1HG LYS 16 2HG LYS 16 3.860 -6.119 5.898 166 2HG LYS 16 1HG LYS 16 5.561 -6.012 5.444 167 1HD LYS 16 2HD LYS 16 6.216 -7.407 7.088 168 2HD LYS 16 1HD LYS 16 5.135 -6.666 8.270 169 1HE LYS 16 2HE LYS 16 3.952 -8.623 8.086 170 2HE LYS 16 1HE LYS 16 3.357 -7.931 6.563 171 1HZ LYS 16 1HZ LYS 16 5.917 -9.415 6.783 172 2HZ LYS 16 2HZ LYS 16 5.112 -8.939 5.363 173 3HZ LYS 16 3HZ LYS 16 4.457 -10.160 6.346 Start of MODEL 29 1 1H ARG 1 1HT ARG 1 -5.997 8.459 -0.607 2 2H ARG 1 2HT ARG 1 -4.884 7.575 0.322 3 3H ARG 1 3HT ARG 1 -5.460 9.072 0.880 4 HA ARG 1 HA ARG 1 -6.642 7.469 2.114 5 1HB ARG 1 2HB ARG 1 -8.889 8.040 1.401 6 2HB ARG 1 1HB ARG 1 -7.839 9.412 1.049 7 1HG ARG 1 2HG ARG 1 -7.676 7.856 -1.256 8 2HG ARG 1 1HG ARG 1 -9.370 7.725 -0.784 9 1HD ARG 1 2HD ARG 1 -8.262 10.459 -0.571 10 2HD ARG 1 1HD ARG 1 -8.365 9.823 -2.223 11 HE ARG 1 HE ARG 1 -10.777 9.170 -0.826 12 1HH1 ARG 1 1HH1 ARG 1 -9.617 11.035 -3.296 13 2HH1 ARG 1 2HH1 ARG 1 -10.770 12.318 -3.138 14 1HH2 ARG 1 1HH2 ARG 1 -12.029 11.175 -0.117 15 2HH2 ARG 1 2HH2 ARG 1 -12.133 12.398 -1.339 16 H GLN 2 H GLN 2 -6.158 6.566 -1.229 17 HA GLN 2 HA GLN 2 -6.819 3.765 -0.548 18 1HB GLN 2 2HB GLN 2 -8.070 5.534 -2.611 19 2HB GLN 2 1HB GLN 2 -8.017 3.785 -2.778 20 1HG GLN 2 2HG GLN 2 -8.972 3.742 -0.370 21 2HG GLN 2 1HG GLN 2 -9.427 5.414 -0.692 22 1HE2 GLN 2 1HE2 GLN 2 -10.165 2.068 -1.447 23 2HE2 GLN 2 2HE2 GLN 2 -11.506 2.386 -2.437 24 H ILE 3 H ILE 3 -6.084 5.698 -3.471 25 HA ILE 3 HA ILE 3 -4.701 3.975 -4.996 26 HB ILE 3 HB ILE 3 -3.098 6.021 -5.380 27 1HG1 ILE 3 2HG1 ILE 3 -5.332 7.610 -4.336 28 2HG1 ILE 3 1HG1 ILE 3 -4.331 6.878 -3.092 29 1HG2 ILE 3 1HG2 ILE 3 -5.017 7.109 -6.653 30 2HG2 ILE 3 2HG2 ILE 3 -6.059 5.874 -5.947 31 3HG2 ILE 3 3HG2 ILE 3 -4.731 5.405 -7.006 32 1HD1 ILE 3 1HD1 ILE 3 -3.098 8.787 -3.433 33 2HD1 ILE 3 2HD1 ILE 3 -3.610 8.943 -5.113 34 3HD1 ILE 3 3HD1 ILE 3 -2.372 7.766 -4.673 35 H LYS 4 H LYS 4 -3.249 5.711 -2.257 36 HA LYS 4 HA LYS 4 -0.715 4.352 -2.432 37 1HB LYS 4 2HB LYS 4 -2.209 6.066 -0.468 38 2HB LYS 4 1HB LYS 4 -0.767 5.219 0.089 39 1HG LYS 4 2HG LYS 4 -0.145 7.426 -0.710 40 2HG LYS 4 1HG LYS 4 0.495 6.205 -1.813 41 1HD LYS 4 2HD LYS 4 -1.192 6.604 -3.408 42 2HD LYS 4 1HD LYS 4 -2.176 7.489 -2.248 43 1HE LYS 4 2HE LYS 4 0.546 8.435 -3.216 44 2HE LYS 4 1HE LYS 4 -0.996 9.013 -3.874 45 1HZ LYS 4 1HZ LYS 4 -0.556 10.508 -2.169 46 2HZ LYS 4 2HZ LYS 4 0.071 9.315 -1.135 47 3HZ LYS 4 3HZ LYS 4 -1.601 9.399 -1.426 48 H ILE 5 H ILE 5 -3.686 3.922 -0.594 49 HA ILE 5 HA ILE 5 -2.984 1.781 1.111 50 HB ILE 5 HB ILE 5 -5.538 2.219 -0.501 51 1HG1 ILE 5 2HG1 ILE 5 -5.322 4.288 0.522 52 2HG1 ILE 5 1HG1 ILE 5 -6.067 3.407 1.848 53 1HG2 ILE 5 1HG2 ILE 5 -6.502 1.306 1.738 54 2HG2 ILE 5 2HG2 ILE 5 -4.864 0.735 2.050 55 3HG2 ILE 5 3HG2 ILE 5 -5.747 0.153 0.639 56 1HD1 ILE 5 1HD1 ILE 5 -3.634 2.852 2.562 57 2HD1 ILE 5 2HD1 ILE 5 -4.216 4.491 2.848 58 3HD1 ILE 5 3HD1 ILE 5 -3.169 4.158 1.471 59 H PHE 6 H PHE 6 -3.554 1.968 -2.308 60 HA PHE 6 HA PHE 6 -3.625 -0.939 -2.760 61 1HB PHE 6 2HB PHE 6 -4.319 1.365 -4.144 62 2HB PHE 6 1HB PHE 6 -2.848 0.857 -4.971 63 HD1 PHE 6 1HD PHE 6 -6.289 0.558 -5.072 64 HD2 PHE 6 2HD PHE 6 -2.760 -1.885 -5.218 65 HE1 PHE 6 1HE PHE 6 -7.563 -1.212 -6.254 66 HE2 PHE 6 2HE PHE 6 -4.034 -3.655 -6.399 67 HZ PHE 6 HZ PHE 6 -6.436 -3.318 -6.918 68 H PHE 7 H PHE 7 -1.273 1.704 -2.935 69 HA PHE 7 HA PHE 7 0.949 -0.065 -3.757 70 1HB PHE 7 2HB PHE 7 0.301 2.624 -4.000 71 2HB PHE 7 1HB PHE 7 1.497 2.638 -2.705 72 HD1 PHE 7 1HD PHE 7 0.887 1.447 -6.187 73 HD2 PHE 7 2HD PHE 7 3.804 2.312 -3.155 74 HE1 PHE 7 1HE PHE 7 2.703 1.146 -7.849 75 HE2 PHE 7 2HE PHE 7 5.621 2.012 -4.817 76 HZ PHE 7 HZ PHE 7 5.070 1.430 -7.164 77 H GLN 8 H GLN 8 -0.076 1.781 -0.882 78 HA GLN 8 HA GLN 8 2.039 1.207 0.881 79 1HB GLN 8 2HB GLN 8 -0.951 1.446 1.276 80 2HB GLN 8 1HB GLN 8 0.204 1.436 2.599 81 1HG GLN 8 2HG GLN 8 1.400 3.304 1.214 82 2HG GLN 8 1HG GLN 8 -0.195 3.544 0.495 83 1HE2 GLN 8 1HE2 GLN 8 -1.686 2.803 2.938 84 2HE2 GLN 8 2HE2 GLN 8 -1.461 4.067 4.046 85 H ASN 9 H ASN 9 -0.687 -0.756 -0.157 86 HA ASN 9 HA ASN 9 -0.302 -2.920 1.693 87 1HB ASN 9 2HB ASN 9 -2.315 -2.344 0.244 88 2HB ASN 9 1HB ASN 9 -1.402 -2.981 -1.125 89 1HD2 ASN 9 1HD2 ASN 9 -2.347 -4.004 2.211 90 2HD2 ASN 9 2HD2 ASN 9 -2.615 -5.627 1.791 91 H ARG 10 H ARG 10 1.551 -1.792 -0.910 92 HA ARG 10 HA ARG 10 3.031 -4.370 -1.086 93 1HB ARG 10 2HB ARG 10 3.167 -2.943 -3.562 94 2HB ARG 10 1HB ARG 10 2.430 -4.517 -3.262 95 1HG ARG 10 2HG ARG 10 0.356 -3.358 -2.533 96 2HG ARG 10 1HG ARG 10 1.120 -1.822 -2.904 97 1HD ARG 10 2HD ARG 10 -0.228 -2.455 -4.840 98 2HD ARG 10 1HD ARG 10 1.467 -2.672 -5.281 99 HE ARG 10 HE ARG 10 0.785 -4.883 -5.648 100 1HH1 ARG 10 1HH1 ARG 10 -1.758 -3.773 -3.911 101 2HH1 ARG 10 2HH1 ARG 10 -1.996 -5.191 -2.945 102 1HH2 ARG 10 1HH2 ARG 10 0.988 -6.670 -3.912 103 2HH2 ARG 10 2HH2 ARG 10 -0.440 -6.832 -2.946 104 H ARG 11 H ARG 11 3.272 -1.257 -0.077 105 HA ARG 11 HA ARG 11 6.077 -0.991 -1.074 106 1HB ARG 11 2HB ARG 11 5.676 1.312 -1.266 107 2HB ARG 11 1HB ARG 11 4.124 0.632 -1.719 108 1HG ARG 11 2HG ARG 11 3.193 1.899 -0.168 109 2HG ARG 11 1HG ARG 11 4.024 0.966 1.059 110 1HD ARG 11 2HD ARG 11 5.131 3.406 -0.360 111 2HD ARG 11 1HD ARG 11 4.552 3.351 1.308 112 HE ARG 11 HE ARG 11 6.730 1.535 0.439 113 1HH1 ARG 11 1HH2 ARG 11 5.218 2.853 3.090 114 2HH1 ARG 11 2HH2 ARG 11 6.660 3.380 3.890 115 1HH2 ARG 11 1HH1 ARG 11 8.721 2.730 1.180 116 2HH2 ARG 11 2HH1 ARG 11 8.642 3.311 2.810 117 H MET 12 H MET 12 3.883 -0.728 1.626 118 HA MET 12 HA MET 12 6.206 -0.425 3.485 119 1HB MET 12 2HB MET 12 4.141 -0.073 5.104 120 2HB MET 12 1HB MET 12 4.684 1.238 4.063 121 1HG MET 12 2HG MET 12 2.906 1.004 2.631 122 2HG MET 12 1HG MET 12 2.706 -0.694 3.005 123 1HE MET 12 1HE MET 12 1.346 2.937 5.425 124 2HE MET 12 2HE MET 12 2.323 2.881 3.959 125 3HE MET 12 3HE MET 12 3.037 2.426 5.504 126 H LYS 13 H LYS 13 3.434 -2.414 2.616 127 HA LYS 13 HA LYS 13 3.797 -4.385 4.725 128 1HB LYS 13 2HB LYS 13 2.575 -4.793 2.002 129 2HB LYS 13 1HB LYS 13 2.123 -5.571 3.513 130 1HG LYS 13 2HG LYS 13 1.461 -2.822 2.516 131 2HG LYS 13 1HG LYS 13 0.416 -4.035 3.217 132 1HD LYS 13 2HD LYS 13 2.541 -2.790 4.930 133 2HD LYS 13 1HD LYS 13 1.045 -1.910 4.609 134 1HE LYS 13 2HE LYS 13 0.185 -3.096 6.357 135 2HE LYS 13 1HE LYS 13 0.154 -4.474 5.240 136 1HZ LYS 13 1HZ LYS 13 1.464 -4.814 7.353 137 2HZ LYS 13 2HZ LYS 13 2.586 -3.694 6.745 138 3HZ LYS 13 3HZ LYS 13 2.292 -5.146 5.913 139 H PHE 14 H PHE 14 5.321 -3.474 1.846 140 HA PHE 14 HA PHE 14 6.439 -5.993 0.971 141 1HB PHE 14 2HB PHE 14 6.132 -3.305 0.126 142 2HB PHE 14 1HB PHE 14 7.868 -3.579 0.213 143 HD1 PHE 14 1HD PHE 14 4.845 -5.554 -0.833 144 HD2 PHE 14 2HD PHE 14 8.844 -4.297 -1.775 145 HE1 PHE 14 1HE PHE 14 4.746 -6.831 -2.958 146 HE2 PHE 14 2HE PHE 14 8.744 -5.575 -3.899 147 HZ PHE 14 HZ PHE 14 6.696 -6.841 -4.490 148 H LYS 15 H LYS 15 7.088 -3.751 3.494 149 HA LYS 15 HA LYS 15 9.658 -5.142 4.071 150 1HB LYS 15 2HB LYS 15 10.561 -2.840 4.662 151 2HB LYS 15 1HB LYS 15 10.273 -3.097 2.944 152 1HG LYS 15 2HG LYS 15 7.828 -2.156 3.935 153 2HG LYS 15 1HG LYS 15 9.043 -1.185 4.761 154 1HD LYS 15 2HD LYS 15 8.811 -1.597 1.768 155 2HD LYS 15 1HD LYS 15 8.428 -0.118 2.652 156 1HE LYS 15 2HE LYS 15 10.588 0.537 2.512 157 2HE LYS 15 1HE LYS 15 11.102 -0.944 3.345 158 1HZ LYS 15 1HZ LYS 15 11.977 -0.775 1.049 159 2HZ LYS 15 2HZ LYS 15 10.383 -0.802 0.463 160 3HZ LYS 15 3HZ LYS 15 11.011 -2.148 1.289 161 H LYS 16 H LYS 16 6.655 -4.429 5.085 162 HA LYS 16 HA LYS 16 6.745 -3.320 7.605 163 1HB LYS 16 2HB LYS 16 4.647 -4.616 7.917 164 2HB LYS 16 1HB LYS 16 4.755 -3.852 6.328 165 1HG LYS 16 2HG LYS 16 3.990 -6.110 5.984 166 2HG LYS 16 1HG LYS 16 5.662 -6.026 5.433 167 1HD LYS 16 2HD LYS 16 6.384 -7.446 7.021 168 2HD LYS 16 1HD LYS 16 5.414 -6.672 8.277 169 1HE LYS 16 2HE LYS 16 4.034 -8.479 8.192 170 2HE LYS 16 1HE LYS 16 3.555 -7.952 6.565 171 1HZ LYS 16 1HZ LYS 16 5.963 -9.579 7.189 172 2HZ LYS 16 2HZ LYS 16 5.444 -9.107 5.642 173 3HZ LYS 16 3HZ LYS 16 4.516 -10.198 6.557 Start of MODEL 30 1 1H ARG 1 1HT ARG 1 -6.625 9.226 2.711 2 2H ARG 1 2HT ARG 1 -5.482 10.097 1.806 3 3H ARG 1 3HT ARG 1 -5.161 8.494 2.269 4 HA ARG 1 HA ARG 1 -7.549 9.017 0.634 5 1HB ARG 1 2HB ARG 1 -6.104 8.971 -1.379 6 2HB ARG 1 1HB ARG 1 -5.706 10.344 -0.347 7 1HG ARG 1 2HG ARG 1 -4.040 8.467 0.686 8 2HG ARG 1 1HG ARG 1 -4.109 7.933 -0.995 9 1HD ARG 1 2HD ARG 1 -3.365 10.711 -0.016 10 2HD ARG 1 1HD ARG 1 -2.291 9.535 -0.799 11 HE ARG 1 HE ARG 1 -4.313 9.758 -2.626 12 1HH1 ARG 1 1HH2 ARG 1 -4.352 12.491 -0.972 13 2HH1 ARG 1 2HH2 ARG 1 -3.599 13.515 -2.149 14 1HH2 ARG 1 1HH1 ARG 1 -2.506 10.884 -4.126 15 2HH2 ARG 1 2HH1 ARG 1 -2.554 12.605 -3.934 16 H GLN 2 H GLN 2 -6.632 7.087 -1.316 17 HA GLN 2 HA GLN 2 -6.198 4.637 0.310 18 1HB GLN 2 2HB GLN 2 -8.457 5.385 -1.505 19 2HB GLN 2 1HB GLN 2 -8.001 3.705 -1.269 20 1HG GLN 2 2HG GLN 2 -8.177 4.080 1.217 21 2HG GLN 2 1HG GLN 2 -8.867 5.664 0.861 22 1HE2 GLN 2 1HE2 GLN 2 -11.085 5.447 1.271 23 2HE2 GLN 2 2HE2 GLN 2 -12.059 4.198 0.658 24 H ILE 3 H ILE 3 -6.272 6.081 -2.952 25 HA ILE 3 HA ILE 3 -5.433 4.119 -4.595 26 HB ILE 3 HB ILE 3 -3.772 5.945 -5.474 27 1HG1 ILE 3 2HG1 ILE 3 -5.490 7.845 -4.052 28 2HG1 ILE 3 1HG1 ILE 3 -4.343 7.019 -3.010 29 1HG2 ILE 3 1HG2 ILE 3 -5.885 5.409 -6.552 30 2HG2 ILE 3 2HG2 ILE 3 -5.737 7.162 -6.426 31 3HG2 ILE 3 3HG2 ILE 3 -6.775 6.281 -5.305 32 1HD1 ILE 3 1HD1 ILE 3 -3.004 8.753 -3.711 33 2HD1 ILE 3 2HD1 ILE 3 -3.823 8.896 -5.268 34 3HD1 ILE 3 3HD1 ILE 3 -2.669 7.590 -4.993 35 H LYS 4 H LYS 4 -3.352 5.719 -2.229 36 HA LYS 4 HA LYS 4 -0.988 4.216 -2.877 37 1HB LYS 4 2HB LYS 4 -1.998 6.013 -0.707 38 2HB LYS 4 1HB LYS 4 -0.552 5.066 -0.374 39 1HG LYS 4 2HG LYS 4 0.110 7.200 -1.304 40 2HG LYS 4 1HG LYS 4 0.441 5.935 -2.488 41 1HD LYS 4 2HD LYS 4 -1.496 6.470 -3.746 42 2HD LYS 4 1HD LYS 4 -2.128 7.487 -2.455 43 1HE LYS 4 2HE LYS 4 0.528 8.141 -3.736 44 2HE LYS 4 1HE LYS 4 -0.989 8.678 -4.481 45 1HZ LYS 4 1HZ LYS 4 -0.529 9.051 -1.589 46 2HZ LYS 4 2HZ LYS 4 -1.579 9.897 -2.623 47 3HZ LYS 4 3HZ LYS 4 0.095 10.169 -2.699 48 H ILE 5 H ILE 5 -3.719 3.724 -0.726 49 HA ILE 5 HA ILE 5 -2.776 1.695 0.959 50 HB ILE 5 HB ILE 5 -5.393 2.313 -0.407 51 1HG1 ILE 5 2HG1 ILE 5 -5.929 3.378 1.583 52 2HG1 ILE 5 1HG1 ILE 5 -4.904 2.331 2.522 53 1HG2 ILE 5 1HG2 ILE 5 -6.197 0.712 1.598 54 2HG2 ILE 5 2HG2 ILE 5 -4.655 -0.063 1.234 55 3HG2 ILE 5 3HG2 ILE 5 -5.880 0.097 -0.023 56 1HD1 ILE 5 1HD1 ILE 5 -2.897 3.460 1.559 57 2HD1 ILE 5 2HD1 ILE 5 -3.917 4.548 2.491 58 3HD1 ILE 5 3HD1 ILE 5 -3.979 4.579 0.733 59 H PHE 6 H PHE 6 -3.719 1.727 -2.407 60 HA PHE 6 HA PHE 6 -3.656 -1.188 -2.783 61 1HB PHE 6 2HB PHE 6 -3.685 1.261 -4.558 62 2HB PHE 6 1HB PHE 6 -3.527 -0.354 -5.245 63 HD1 PHE 6 1HD PHE 6 -5.823 2.119 -4.153 64 HD2 PHE 6 2HD PHE 6 -5.269 -2.134 -4.383 65 HE1 PHE 6 1HE PHE 6 -8.273 1.790 -3.949 66 HE2 PHE 6 2HE PHE 6 -7.718 -2.464 -4.179 67 HZ PHE 6 HZ PHE 6 -9.220 -0.503 -3.962 68 H PHE 7 H PHE 7 -1.415 1.509 -3.094 69 HA PHE 7 HA PHE 7 0.779 -0.199 -4.112 70 1HB PHE 7 2HB PHE 7 0.009 2.515 -4.224 71 2HB PHE 7 1HB PHE 7 1.441 2.493 -3.195 72 HD1 PHE 7 1HD PHE 7 3.344 0.776 -4.112 73 HD2 PHE 7 2HD PHE 7 0.388 2.776 -6.503 74 HE1 PHE 7 1HE PHE 7 4.782 0.507 -6.115 75 HE2 PHE 7 2HE PHE 7 1.827 2.507 -8.505 76 HZ PHE 7 HZ PHE 7 4.023 1.373 -8.311 77 H GLN 8 H GLN 8 -0.009 1.732 -1.220 78 HA GLN 8 HA GLN 8 2.228 1.209 0.390 79 1HB GLN 8 2HB GLN 8 -0.724 1.432 1.025 80 2HB GLN 8 1HB GLN 8 0.537 1.493 2.242 81 1HG GLN 8 2HG GLN 8 1.591 3.342 0.779 82 2HG GLN 8 1HG GLN 8 -0.005 3.474 0.041 83 1HE2 GLN 8 1HE2 GLN 8 -1.399 2.761 2.620 84 2HE2 GLN 8 2HE2 GLN 8 -1.257 4.137 3.604 85 H ASN 9 H ASN 9 -0.585 -0.777 -0.318 86 HA ASN 9 HA ASN 9 -0.148 -2.903 1.529 87 1HB ASN 9 2HB ASN 9 -2.180 -2.496 0.137 88 2HB ASN 9 1HB ASN 9 -1.245 -2.932 -1.297 89 1HD2 ASN 9 1HD2 ASN 9 -3.111 -4.659 -1.342 90 2HD2 ASN 9 2HD2 ASN 9 -2.806 -6.114 -0.520 91 H ARG 10 H ARG 10 1.723 -1.797 -1.066 92 HA ARG 10 HA ARG 10 3.201 -4.388 -1.234 93 1HB ARG 10 2HB ARG 10 2.781 -2.386 -3.452 94 2HB ARG 10 1HB ARG 10 3.415 -4.026 -3.590 95 1HG ARG 10 2HG ARG 10 0.623 -3.382 -2.610 96 2HG ARG 10 1HG ARG 10 1.018 -3.791 -4.267 97 1HD ARG 10 2HD ARG 10 2.106 -5.686 -2.289 98 2HD ARG 10 1HD ARG 10 0.342 -5.655 -2.385 99 HE ARG 10 HE ARG 10 0.738 -6.910 -4.330 100 1HH1 ARG 10 1HH2 ARG 10 3.787 -6.340 -4.052 101 2HH1 ARG 10 2HH2 ARG 10 4.112 -5.689 -5.624 102 1HH2 ARG 10 1HH1 ARG 10 0.769 -5.183 -6.396 103 2HH2 ARG 10 2HH1 ARG 10 2.402 -5.034 -6.950 104 H ARG 11 H ARG 11 3.425 -1.288 -0.090 105 HA ARG 11 HA ARG 11 6.280 -1.020 -0.924 106 1HB ARG 11 2HB ARG 11 5.838 1.222 -1.287 107 2HB ARG 11 1HB ARG 11 4.210 0.611 -1.527 108 1HG ARG 11 2HG ARG 11 3.640 2.142 -0.010 109 2HG ARG 11 1HG ARG 11 4.257 1.000 1.166 110 1HD ARG 11 2HD ARG 11 5.724 3.340 -0.091 111 2HD ARG 11 1HD ARG 11 5.306 3.124 1.608 112 HE ARG 11 HE ARG 11 7.111 1.197 0.246 113 1HH1 ARG 11 1HH2 ARG 11 5.990 2.174 3.217 114 2HH1 ARG 11 2HH2 ARG 11 7.544 2.359 3.959 115 1HH2 ARG 11 1HH1 ARG 11 9.299 1.974 0.993 116 2HH2 ARG 11 2HH1 ARG 11 9.418 2.245 2.699 117 H MET 12 H MET 12 3.911 -0.704 1.646 118 HA MET 12 HA MET 12 6.114 -0.448 3.648 119 1HB MET 12 2HB MET 12 3.935 -0.139 5.137 120 2HB MET 12 1HB MET 12 4.558 1.190 4.166 121 1HG MET 12 2HG MET 12 2.894 0.997 2.599 122 2HG MET 12 1HG MET 12 2.640 -0.707 2.937 123 1HE MET 12 1HE MET 12 1.859 2.787 3.445 124 2HE MET 12 2HE MET 12 2.538 2.747 5.071 125 3HE MET 12 3HE MET 12 0.801 2.950 4.854 126 H LYS 13 H LYS 13 3.436 -2.464 2.591 127 HA LYS 13 HA LYS 13 3.698 -4.440 4.708 128 1HB LYS 13 2HB LYS 13 2.641 -4.852 1.923 129 2HB LYS 13 1HB LYS 13 2.104 -5.630 3.406 130 1HG LYS 13 2HG LYS 13 1.520 -2.862 2.395 131 2HG LYS 13 1HG LYS 13 0.418 -4.088 2.979 132 1HD LYS 13 2HD LYS 13 2.387 -3.015 4.940 133 2HD LYS 13 1HD LYS 13 1.066 -1.953 4.444 134 1HE LYS 13 2HE LYS 13 0.080 -3.087 6.242 135 2HE LYS 13 1HE LYS 13 -0.399 -4.135 4.893 136 1HZ LYS 13 1HZ LYS 13 0.716 -5.302 6.799 137 2HZ LYS 13 2HZ LYS 13 2.142 -4.477 6.385 138 3HZ LYS 13 3HZ LYS 13 1.431 -5.557 5.282 139 H PHE 14 H PHE 14 5.408 -3.479 1.965 140 HA PHE 14 HA PHE 14 6.614 -5.971 1.126 141 1HB PHE 14 2HB PHE 14 6.299 -3.324 0.264 142 2HB PHE 14 1HB PHE 14 8.025 -3.461 0.585 143 HD1 PHE 14 1HD PHE 14 5.419 -5.803 -0.774 144 HD2 PHE 14 2HD PHE 14 9.238 -3.922 -1.348 145 HE1 PHE 14 1HE PHE 14 5.719 -7.057 -2.893 146 HE2 PHE 14 2HE PHE 14 9.538 -5.176 -3.467 147 HZ PHE 14 HZ PHE 14 7.778 -6.743 -4.240 148 H LYS 15 H LYS 15 7.059 -3.728 3.699 149 HA LYS 15 HA LYS 15 9.572 -5.123 4.483 150 1HB LYS 15 2HB LYS 15 10.397 -2.801 5.171 151 2HB LYS 15 1HB LYS 15 10.321 -3.100 3.438 152 1HG LYS 15 2HG LYS 15 7.775 -2.135 4.096 153 2HG LYS 15 1HG LYS 15 8.879 -1.148 5.046 154 1HD LYS 15 2HD LYS 15 9.040 -1.631 2.060 155 2HD LYS 15 1HD LYS 15 8.533 -0.135 2.846 156 1HE LYS 15 2HE LYS 15 11.282 -1.398 3.155 157 2HE LYS 15 1HE LYS 15 10.911 0.004 2.133 158 1HZ LYS 15 1HZ LYS 15 11.573 0.888 4.200 159 2HZ LYS 15 2HZ LYS 15 10.640 -0.229 5.077 160 3HZ LYS 15 3HZ LYS 15 9.881 1.006 4.188 161 H LYS 16 H LYS 16 6.504 -4.495 5.254 162 HA LYS 16 HA LYS 16 6.415 -3.377 7.792 163 1HB LYS 16 2HB LYS 16 4.266 -4.601 7.912 164 2HB LYS 16 1HB LYS 16 4.524 -3.850 6.334 165 1HG LYS 16 2HG LYS 16 3.730 -6.082 5.925 166 2HG LYS 16 1HG LYS 16 5.449 -6.063 5.534 167 1HD LYS 16 2HD LYS 16 5.963 -7.494 7.191 168 2HD LYS 16 1HD LYS 16 4.911 -6.672 8.346 169 1HE LYS 16 2HE LYS 16 3.901 -8.817 8.068 170 2HE LYS 16 1HE LYS 16 2.955 -7.764 6.996 171 1HZ LYS 16 1HZ LYS 16 4.487 -8.342 5.187 172 2HZ LYS 16 2HZ LYS 16 3.673 -9.708 5.783 173 3HZ LYS 16 3HZ LYS 16 5.292 -9.426 6.213 Start of MODEL 31 1 1H ARG 1 1HT ARG 1 -6.696 9.112 2.676 2 2H ARG 1 2HT ARG 1 -5.604 10.144 1.884 3 3H ARG 1 3HT ARG 1 -5.129 8.572 2.318 4 HA ARG 1 HA ARG 1 -7.382 9.034 0.450 5 1HB ARG 1 2HB ARG 1 -5.658 8.811 -1.344 6 2HB ARG 1 1HB ARG 1 -5.415 10.259 -0.360 7 1HG ARG 1 2HG ARG 1 -3.739 9.026 1.000 8 2HG ARG 1 1HG ARG 1 -3.945 7.622 -0.048 9 1HD ARG 1 2HD ARG 1 -2.070 8.698 -0.997 10 2HD ARG 1 1HD ARG 1 -3.404 9.336 -1.980 11 HE ARG 1 HE ARG 1 -3.437 11.300 -0.374 12 1HH1 ARG 1 1HH2 ARG 1 -1.122 9.420 0.952 13 2HH1 ARG 1 2HH2 ARG 1 0.189 10.540 0.799 14 1HH2 ARG 1 1HH1 ARG 1 -1.549 12.700 -1.285 15 2HH2 ARG 1 2HH1 ARG 1 -0.052 12.397 -0.467 16 H GLN 2 H GLN 2 -6.572 7.037 -1.309 17 HA GLN 2 HA GLN 2 -6.180 4.604 0.348 18 1HB GLN 2 2HB GLN 2 -8.458 5.385 -1.430 19 2HB GLN 2 1HB GLN 2 -8.040 3.697 -1.178 20 1HG GLN 2 2HG GLN 2 -8.129 4.152 1.315 21 2HG GLN 2 1HG GLN 2 -8.850 5.712 0.917 22 1HE2 GLN 2 1HE2 GLN 2 -10.666 5.215 -1.037 23 2HE2 GLN 2 2HE2 GLN 2 -11.798 4.043 -0.562 24 H ILE 3 H ILE 3 -6.349 5.975 -2.946 25 HA ILE 3 HA ILE 3 -5.529 3.972 -4.555 26 HB ILE 3 HB ILE 3 -3.902 5.806 -5.511 27 1HG1 ILE 3 2HG1 ILE 3 -5.681 7.705 -4.162 28 2HG1 ILE 3 1HG1 ILE 3 -4.508 6.957 -3.090 29 1HG2 ILE 3 1HG2 ILE 3 -6.884 5.657 -5.428 30 2HG2 ILE 3 2HG2 ILE 3 -5.789 5.427 -6.792 31 3HG2 ILE 3 3HG2 ILE 3 -6.139 7.053 -6.207 32 1HD1 ILE 3 1HD1 ILE 3 -3.289 8.764 -3.883 33 2HD1 ILE 3 2HD1 ILE 3 -4.025 8.692 -5.483 34 3HD1 ILE 3 3HD1 ILE 3 -2.814 7.500 -5.014 35 H LYS 4 H LYS 4 -3.423 5.693 -2.299 36 HA LYS 4 HA LYS 4 -1.029 4.247 -2.927 37 1HB LYS 4 2HB LYS 4 -2.082 6.019 -0.754 38 2HB LYS 4 1HB LYS 4 -0.601 5.123 -0.438 39 1HG LYS 4 2HG LYS 4 -0.033 7.287 -1.370 40 2HG LYS 4 1HG LYS 4 0.348 6.029 -2.549 41 1HD LYS 4 2HD LYS 4 -1.578 6.491 -3.826 42 2HD LYS 4 1HD LYS 4 -2.296 7.443 -2.530 43 1HE LYS 4 2HE LYS 4 -1.457 9.236 -3.706 44 2HE LYS 4 1HE LYS 4 0.079 8.781 -2.946 45 1HZ LYS 4 1HZ LYS 4 -0.958 7.902 -5.584 46 2HZ LYS 4 2HZ LYS 4 0.362 7.162 -4.812 47 3HZ LYS 4 3HZ LYS 4 0.451 8.795 -5.275 48 H ILE 5 H ILE 5 -3.710 3.722 -0.707 49 HA ILE 5 HA ILE 5 -2.707 1.711 0.961 50 HB ILE 5 HB ILE 5 -5.358 2.270 -0.367 51 1HG1 ILE 5 2HG1 ILE 5 -5.880 3.356 1.605 52 2HG1 ILE 5 1HG1 ILE 5 -4.862 2.310 2.554 53 1HG2 ILE 5 1HG2 ILE 5 -5.734 0.019 0.023 54 2HG2 ILE 5 2HG2 ILE 5 -6.139 0.666 1.613 55 3HG2 ILE 5 3HG2 ILE 5 -4.555 -0.058 1.333 56 1HD1 ILE 5 1HD1 ILE 5 -2.848 3.437 1.601 57 2HD1 ILE 5 2HD1 ILE 5 -3.874 4.524 2.529 58 3HD1 ILE 5 3HD1 ILE 5 -3.927 4.558 0.771 59 H PHE 6 H PHE 6 -3.701 1.723 -2.383 60 HA PHE 6 HA PHE 6 -3.620 -1.174 -2.797 61 1HB PHE 6 2HB PHE 6 -4.444 1.123 -4.172 62 2HB PHE 6 1HB PHE 6 -3.077 0.535 -5.118 63 HD1 PHE 6 1HD PHE 6 -5.994 -0.943 -3.261 64 HD2 PHE 6 2HD PHE 6 -3.604 -0.945 -6.830 65 HE1 PHE 6 1HE PHE 6 -7.424 -2.729 -4.217 66 HE2 PHE 6 2HE PHE 6 -5.034 -2.731 -7.786 67 HZ PHE 6 HZ PHE 6 -6.943 -3.623 -6.479 68 H PHE 7 H PHE 7 -1.385 1.532 -3.132 69 HA PHE 7 HA PHE 7 0.825 -0.171 -4.108 70 1HB PHE 7 2HB PHE 7 0.036 2.538 -4.239 71 2HB PHE 7 1HB PHE 7 1.469 2.532 -3.211 72 HD1 PHE 7 1HD PHE 7 3.257 0.595 -4.178 73 HD2 PHE 7 2HD PHE 7 0.538 3.010 -6.462 74 HE1 PHE 7 1HE PHE 7 4.696 0.322 -6.179 75 HE2 PHE 7 2HE PHE 7 1.977 2.737 -8.464 76 HZ PHE 7 HZ PHE 7 4.056 1.393 -8.322 77 H GLN 8 H GLN 8 0.024 1.786 -1.234 78 HA GLN 8 HA GLN 8 2.265 1.268 0.378 79 1HB GLN 8 2HB GLN 8 -0.684 1.510 1.040 80 2HB GLN 8 1HB GLN 8 0.603 1.618 2.230 81 1HG GLN 8 2HG GLN 8 1.606 3.413 0.641 82 2HG GLN 8 1HG GLN 8 -0.038 3.540 0.010 83 1HE2 GLN 8 1HE2 GLN 8 -1.503 4.789 1.231 84 2HE2 GLN 8 2HE2 GLN 8 -1.193 5.371 2.794 85 H ASN 9 H ASN 9 -0.542 -0.710 -0.353 86 HA ASN 9 HA ASN 9 -0.138 -2.815 1.534 87 1HB ASN 9 2HB ASN 9 -2.174 -2.435 0.170 88 2HB ASN 9 1HB ASN 9 -1.250 -2.825 -1.285 89 1HD2 ASN 9 1HD2 ASN 9 -2.772 -4.674 -1.630 90 2HD2 ASN 9 2HD2 ASN 9 -2.577 -6.101 -0.730 91 H ARG 10 H ARG 10 1.755 -1.749 -1.055 92 HA ARG 10 HA ARG 10 3.202 -4.359 -1.215 93 1HB ARG 10 2HB ARG 10 2.796 -2.358 -3.436 94 2HB ARG 10 1HB ARG 10 3.429 -3.999 -3.573 95 1HG ARG 10 2HG ARG 10 0.637 -3.356 -2.596 96 2HG ARG 10 1HG ARG 10 1.032 -3.755 -4.254 97 1HD ARG 10 2HD ARG 10 2.056 -5.643 -2.201 98 2HD ARG 10 1HD ARG 10 0.312 -5.652 -2.483 99 HE ARG 10 HE ARG 10 0.996 -6.938 -4.343 100 1HH1 ARG 10 1HH2 ARG 10 3.941 -6.451 -4.104 101 2HH1 ARG 10 2HH2 ARG 10 4.287 -5.599 -5.573 102 1HH2 ARG 10 1HH1 ARG 10 0.971 -4.816 -6.213 103 2HH2 ARG 10 2HH1 ARG 10 2.605 -4.674 -6.766 104 H ARG 11 H ARG 11 3.450 -1.250 -0.092 105 HA ARG 11 HA ARG 11 6.303 -1.011 -0.935 106 1HB ARG 11 2HB ARG 11 5.855 1.225 -1.307 107 2HB ARG 11 1HB ARG 11 4.211 0.637 -1.479 108 1HG ARG 11 2HG ARG 11 3.744 2.198 0.046 109 2HG ARG 11 1HG ARG 11 4.344 1.021 1.194 110 1HD ARG 11 2HD ARG 11 5.838 3.347 -0.047 111 2HD ARG 11 1HD ARG 11 5.497 3.067 1.659 112 HE ARG 11 HE ARG 11 7.181 1.148 0.142 113 1HH1 ARG 11 1HH2 ARG 11 6.377 1.445 3.215 114 2HH1 ARG 11 2HH2 ARG 11 7.933 1.857 3.851 115 1HH2 ARG 11 1HH1 ARG 11 9.326 2.498 0.742 116 2HH2 ARG 11 2HH1 ARG 11 9.604 2.452 2.452 117 H MET 12 H MET 12 3.958 -0.681 1.658 118 HA MET 12 HA MET 12 6.193 -0.490 3.629 119 1HB MET 12 2HB MET 12 4.068 -0.075 5.147 120 2HB MET 12 1HB MET 12 4.705 1.214 4.139 121 1HG MET 12 2HG MET 12 3.029 0.993 2.561 122 2HG MET 12 1HG MET 12 2.659 -0.651 3.046 123 1HE MET 12 1HE MET 12 2.474 -1.035 5.542 124 2HE MET 12 2HE MET 12 0.896 -0.596 6.188 125 3HE MET 12 3HE MET 12 2.328 0.291 6.702 126 H LYS 13 H LYS 13 3.434 -2.415 2.601 127 HA LYS 13 HA LYS 13 3.644 -4.401 4.713 128 1HB LYS 13 2HB LYS 13 2.609 -4.785 1.912 129 2HB LYS 13 1HB LYS 13 2.058 -5.579 3.381 130 1HG LYS 13 2HG LYS 13 1.508 -2.791 2.411 131 2HG LYS 13 1HG LYS 13 0.385 -4.022 2.947 132 1HD LYS 13 2HD LYS 13 2.347 -2.895 4.912 133 2HD LYS 13 1HD LYS 13 0.901 -1.974 4.488 134 1HE LYS 13 2HE LYS 13 -0.434 -3.350 5.708 135 2HE LYS 13 1HE LYS 13 0.320 -4.805 5.026 136 1HZ LYS 13 1HZ LYS 13 2.200 -4.516 6.469 137 2HZ LYS 13 2HZ LYS 13 0.791 -4.519 7.420 138 3HZ LYS 13 3HZ LYS 13 1.582 -3.056 7.072 139 H PHE 14 H PHE 14 5.351 -3.498 1.932 140 HA PHE 14 HA PHE 14 6.518 -6.008 1.117 141 1HB PHE 14 2HB PHE 14 6.280 -3.337 0.265 142 2HB PHE 14 1HB PHE 14 8.002 -3.549 0.563 143 HD1 PHE 14 1HD PHE 14 9.185 -4.086 -1.369 144 HD2 PHE 14 2HD PHE 14 5.264 -5.741 -0.786 145 HE1 PHE 14 1HE PHE 14 9.401 -5.345 -3.495 146 HE2 PHE 14 2HE PHE 14 5.480 -7.001 -2.911 147 HZ PHE 14 HZ PHE 14 7.549 -6.803 -4.266 148 H LYS 15 H LYS 15 7.022 -3.765 3.688 149 HA LYS 15 HA LYS 15 9.481 -5.242 4.483 150 1HB LYS 15 2HB LYS 15 10.416 -2.954 5.122 151 2HB LYS 15 1HB LYS 15 10.296 -3.261 3.392 152 1HG LYS 15 2HG LYS 15 7.805 -2.188 4.085 153 2HG LYS 15 1HG LYS 15 8.965 -1.240 5.010 154 1HD LYS 15 2HD LYS 15 9.065 -1.751 2.025 155 2HD LYS 15 1HD LYS 15 8.614 -0.232 2.803 156 1HE LYS 15 2HE LYS 15 10.831 0.104 3.661 157 2HE LYS 15 1HE LYS 15 11.315 -1.548 3.229 158 1HZ LYS 15 1HZ LYS 15 11.007 -1.067 0.929 159 2HZ LYS 15 2HZ LYS 15 11.993 0.158 1.571 160 3HZ LYS 15 3HZ LYS 15 10.349 0.459 1.266 161 H LYS 16 H LYS 16 6.448 -4.527 5.255 162 HA LYS 16 HA LYS 16 6.400 -3.336 7.765 163 1HB LYS 16 2HB LYS 16 4.217 -4.493 7.922 164 2HB LYS 16 1HB LYS 16 4.490 -3.790 6.325 165 1HG LYS 16 2HG LYS 16 3.631 -6.007 5.974 166 2HG LYS 16 1HG LYS 16 5.349 -6.049 5.580 167 1HD LYS 16 2HD LYS 16 5.823 -7.455 7.269 168 2HD LYS 16 1HD LYS 16 4.804 -6.568 8.407 169 1HE LYS 16 2HE LYS 16 2.785 -7.641 7.387 170 2HE LYS 16 1HE LYS 16 3.858 -8.603 6.349 171 1HZ LYS 16 1HZ LYS 16 3.993 -8.510 9.318 172 2HZ LYS 16 2HZ LYS 16 4.962 -9.462 8.297 173 3HZ LYS 16 3HZ LYS 16 3.295 -9.770 8.422 Start of MODEL 32 1 1H ARG 1 1HT ARG 1 -3.528 9.864 0.467 2 2H ARG 1 2HT ARG 1 -3.187 8.210 0.280 3 3H ARG 1 3HT ARG 1 -3.244 8.898 1.832 4 HA ARG 1 HA ARG 1 -5.506 8.934 1.918 5 1HB ARG 1 2HB ARG 1 -6.825 9.137 -0.226 6 2HB ARG 1 1HB ARG 1 -5.697 10.463 0.053 7 1HG ARG 1 2HG ARG 1 -4.164 8.601 -1.335 8 2HG ARG 1 1HG ARG 1 -5.746 8.484 -2.101 9 1HD ARG 1 2HD ARG 1 -4.900 11.258 -1.568 10 2HD ARG 1 1HD ARG 1 -3.882 10.395 -2.738 11 HE ARG 1 HE ARG 1 -6.795 10.079 -3.094 12 1HH1 ARG 1 1HH2 ARG 1 -4.752 12.661 -3.532 13 2HH1 ARG 1 2HH2 ARG 1 -4.936 12.762 -5.251 14 1HH2 ARG 1 1HH1 ARG 1 -6.659 9.766 -5.512 15 2HH2 ARG 1 2HH1 ARG 1 -6.016 11.124 -6.372 16 H GLN 2 H GLN 2 -6.474 7.283 -0.813 17 HA GLN 2 HA GLN 2 -6.020 4.662 0.521 18 1HB GLN 2 2HB GLN 2 -8.143 5.743 -1.331 19 2HB GLN 2 1HB GLN 2 -8.018 4.048 -0.868 20 1HG GLN 2 2HG GLN 2 -8.163 4.717 1.527 21 2HG GLN 2 1HG GLN 2 -8.394 6.390 1.016 22 1HE2 GLN 2 1HE2 GLN 2 -10.359 6.775 -0.447 23 2HE2 GLN 2 2HE2 GLN 2 -11.732 5.808 -0.201 24 H ILE 3 H ILE 3 -6.207 6.138 -2.735 25 HA ILE 3 HA ILE 3 -5.524 4.144 -4.414 26 HB ILE 3 HB ILE 3 -3.803 5.943 -5.330 27 1HG1 ILE 3 2HG1 ILE 3 -5.559 7.862 -3.987 28 2HG1 ILE 3 1HG1 ILE 3 -4.448 7.056 -2.892 29 1HG2 ILE 3 1HG2 ILE 3 -6.233 5.226 -6.041 30 2HG2 ILE 3 2HG2 ILE 3 -5.550 6.735 -6.645 31 3HG2 ILE 3 3HG2 ILE 3 -6.685 6.759 -5.295 32 1HD1 ILE 3 1HD1 ILE 3 -3.097 8.779 -3.574 33 2HD1 ILE 3 2HD1 ILE 3 -3.852 8.886 -5.165 34 3HD1 ILE 3 3HD1 ILE 3 -2.704 7.592 -4.816 35 H LYS 4 H LYS 4 -3.301 5.701 -2.161 36 HA LYS 4 HA LYS 4 -0.967 4.200 -2.884 37 1HB LYS 4 2HB LYS 4 -1.935 5.928 -0.638 38 2HB LYS 4 1HB LYS 4 -0.484 4.970 -0.363 39 1HG LYS 4 2HG LYS 4 0.184 7.120 -1.228 40 2HG LYS 4 1HG LYS 4 0.454 5.911 -2.485 41 1HD LYS 4 2HD LYS 4 -1.466 6.558 -3.679 42 2HD LYS 4 1HD LYS 4 -2.117 7.442 -2.301 43 1HE LYS 4 2HE LYS 4 -1.234 9.103 -3.832 44 2HE LYS 4 1HE LYS 4 -0.073 8.985 -2.496 45 1HZ LYS 4 1HZ LYS 4 0.077 7.623 -5.129 46 2HZ LYS 4 2HZ LYS 4 1.087 7.244 -3.816 47 3HZ LYS 4 3HZ LYS 4 1.145 8.792 -4.519 48 H ILE 5 H ILE 5 -3.613 3.697 -0.624 49 HA ILE 5 HA ILE 5 -2.662 1.585 0.945 50 HB ILE 5 HB ILE 5 -5.317 2.309 -0.295 51 1HG1 ILE 5 2HG1 ILE 5 -5.737 3.360 1.721 52 2HG1 ILE 5 1HG1 ILE 5 -4.742 2.247 2.611 53 1HG2 ILE 5 1HG2 ILE 5 -4.592 -0.081 1.367 54 2HG2 ILE 5 2HG2 ILE 5 -5.741 0.043 0.035 55 3HG2 ILE 5 3HG2 ILE 5 -6.158 0.692 1.621 56 1HD1 ILE 5 1HD1 ILE 5 -2.707 3.311 1.618 57 2HD1 ILE 5 2HD1 ILE 5 -3.648 4.407 2.619 58 3HD1 ILE 5 3HD1 ILE 5 -3.763 4.506 0.866 59 H PHE 6 H PHE 6 -3.735 1.767 -2.368 60 HA PHE 6 HA PHE 6 -3.811 -1.108 -2.904 61 1HB PHE 6 2HB PHE 6 -4.778 1.040 -4.154 62 2HB PHE 6 1HB PHE 6 -3.222 0.984 -4.984 63 HD1 PHE 6 1HD PHE 6 -2.501 -1.442 -5.815 64 HD2 PHE 6 2HD PHE 6 -6.539 -0.209 -5.033 65 HE1 PHE 6 1HE PHE 6 -3.339 -3.266 -7.272 66 HE2 PHE 6 2HE PHE 6 -7.379 -2.033 -6.488 67 HZ PHE 6 HZ PHE 6 -5.779 -3.562 -7.608 68 H PHE 7 H PHE 7 -1.440 1.492 -3.193 69 HA PHE 7 HA PHE 7 0.666 -0.311 -4.215 70 1HB PHE 7 2HB PHE 7 0.043 2.491 -4.164 71 2HB PHE 7 1HB PHE 7 1.591 2.271 -3.350 72 HD1 PHE 7 1HD PHE 7 2.755 -0.032 -4.759 73 HD2 PHE 7 2HD PHE 7 0.546 3.312 -6.309 74 HE1 PHE 7 1HE PHE 7 3.870 -0.313 -6.956 75 HE2 PHE 7 2HE PHE 7 1.663 3.029 -8.505 76 HZ PHE 7 HZ PHE 7 3.324 1.217 -8.829 77 H GLN 8 H GLN 8 0.152 1.746 -1.324 78 HA GLN 8 HA GLN 8 2.319 1.063 0.267 79 1HB GLN 8 2HB GLN 8 -0.624 1.341 0.968 80 2HB GLN 8 1HB GLN 8 0.680 1.410 2.139 81 1HG GLN 8 2HG GLN 8 1.699 3.258 0.695 82 2HG GLN 8 1HG GLN 8 0.129 3.351 -0.106 83 1HE2 GLN 8 1HE2 GLN 8 1.308 5.463 1.584 84 2HE2 GLN 8 2HE2 GLN 8 0.263 5.671 2.905 85 H ASN 9 H ASN 9 -0.512 -0.869 -0.531 86 HA ASN 9 HA ASN 9 -0.181 -3.034 1.301 87 1HB ASN 9 2HB ASN 9 -2.149 -2.568 -0.164 88 2HB ASN 9 1HB ASN 9 -1.174 -3.011 -1.570 89 1HD2 ASN 9 1HD2 ASN 9 -2.064 -4.411 1.646 90 2HD2 ASN 9 2HD2 ASN 9 -2.229 -5.998 1.069 91 H ARG 10 H ARG 10 1.807 -1.909 -1.199 92 HA ARG 10 HA ARG 10 3.280 -4.508 -1.342 93 1HB ARG 10 2HB ARG 10 2.964 -2.449 -3.529 94 2HB ARG 10 1HB ARG 10 3.640 -4.071 -3.680 95 1HG ARG 10 2HG ARG 10 0.792 -3.538 -2.809 96 2HG ARG 10 1HG ARG 10 1.264 -3.839 -4.468 97 1HD ARG 10 2HD ARG 10 2.472 -5.952 -3.351 98 2HD ARG 10 1HD ARG 10 1.157 -5.737 -2.194 99 HE ARG 10 HE ARG 10 0.219 -5.522 -4.856 100 1HH1 ARG 10 1HH1 ARG 10 1.985 -8.047 -3.716 101 2HH1 ARG 10 2HH1 ARG 10 0.713 -9.221 -3.756 102 1HH2 ARG 10 1HH2 ARG 10 -1.776 -6.892 -4.390 103 2HH2 ARG 10 2HH2 ARG 10 -1.418 -8.567 -4.138 104 H ARG 11 H ARG 11 3.395 -1.365 -0.268 105 HA ARG 11 HA ARG 11 6.312 -1.028 -0.827 106 1HB ARG 11 2HB ARG 11 4.525 1.143 0.214 107 2HB ARG 11 1HB ARG 11 5.872 1.265 -0.914 108 1HG ARG 11 2HG ARG 11 3.978 -0.329 -2.191 109 2HG ARG 11 1HG ARG 11 3.063 0.959 -1.444 110 1HD ARG 11 2HD ARG 11 5.513 1.401 -3.170 111 2HD ARG 11 1HD ARG 11 3.840 1.595 -3.719 112 HE ARG 11 HE ARG 11 4.832 3.085 -1.348 113 1HH1 ARG 11 1HH1 ARG 11 5.158 3.998 -4.357 114 2HH1 ARG 11 2HH1 ARG 11 3.891 5.177 -4.427 115 1HH2 ARG 11 1HH2 ARG 11 2.410 4.149 -1.464 116 2HH2 ARG 11 2HH2 ARG 11 2.336 5.263 -2.789 117 H MET 12 H MET 12 3.776 -0.418 1.553 118 HA MET 12 HA MET 12 5.769 -0.316 3.730 119 1HB MET 12 2HB MET 12 3.612 -0.107 5.118 120 2HB MET 12 1HB MET 12 3.993 1.207 4.012 121 1HG MET 12 2HG MET 12 2.375 0.551 2.496 122 2HG MET 12 1HG MET 12 2.313 -1.091 3.126 123 1HE MET 12 1HE MET 12 0.089 -0.967 2.786 124 2HE MET 12 2HE MET 12 -0.859 0.498 3.034 125 3HE MET 12 3HE MET 12 -0.983 -0.828 4.187 126 H LYS 13 H LYS 13 3.293 -2.509 2.516 127 HA LYS 13 HA LYS 13 3.610 -4.477 4.626 128 1HB LYS 13 2HB LYS 13 2.694 -4.933 1.795 129 2HB LYS 13 1HB LYS 13 2.172 -5.781 3.245 130 1HG LYS 13 2HG LYS 13 1.421 -3.035 2.283 131 2HG LYS 13 1HG LYS 13 0.387 -4.356 2.784 132 1HD LYS 13 2HD LYS 13 2.190 -3.284 4.881 133 2HD LYS 13 1HD LYS 13 0.898 -2.214 4.340 134 1HE LYS 13 2HE LYS 13 -0.440 -3.360 5.781 135 2HE LYS 13 1HE LYS 13 -0.368 -4.691 4.610 136 1HZ LYS 13 1HZ LYS 13 1.784 -5.328 5.671 137 2HZ LYS 13 2HZ LYS 13 0.426 -5.532 6.672 138 3HZ LYS 13 3HZ LYS 13 1.460 -4.203 6.898 139 H PHE 14 H PHE 14 5.384 -3.447 1.937 140 HA PHE 14 HA PHE 14 6.762 -5.901 1.236 141 1HB PHE 14 2HB PHE 14 6.323 -3.334 0.244 142 2HB PHE 14 1HB PHE 14 8.032 -3.314 0.668 143 HD1 PHE 14 1HD PHE 14 5.526 -5.551 -1.011 144 HD2 PHE 14 2HD PHE 14 9.574 -4.121 -0.886 145 HE1 PHE 14 1HE PHE 14 6.053 -6.866 -3.047 146 HE2 PHE 14 2HE PHE 14 10.102 -5.436 -2.922 147 HZ PHE 14 HZ PHE 14 8.342 -6.808 -4.002 148 H LYS 15 H LYS 15 6.977 -3.526 3.727 149 HA LYS 15 HA LYS 15 9.513 -4.766 4.682 150 1HB LYS 15 2HB LYS 15 10.177 -2.358 5.316 151 2HB LYS 15 1HB LYS 15 10.275 -2.780 3.610 152 1HG LYS 15 2HG LYS 15 7.639 -1.885 3.986 153 2HG LYS 15 1HG LYS 15 8.634 -0.776 4.924 154 1HD LYS 15 2HD LYS 15 9.100 -1.519 2.024 155 2HD LYS 15 1HD LYS 15 8.385 -0.008 2.589 156 1HE LYS 15 2HE LYS 15 10.934 -0.585 3.919 157 2HE LYS 15 1HE LYS 15 11.099 -0.416 2.160 158 1HZ LYS 15 1HZ LYS 15 9.870 1.491 4.067 159 2HZ LYS 15 2HZ LYS 15 9.594 1.580 2.393 160 3HZ LYS 15 3HZ LYS 15 11.167 1.766 3.009 161 H LYS 16 H LYS 16 6.400 -4.278 5.292 162 HA LYS 16 HA LYS 16 6.118 -3.032 7.753 163 1HB LYS 16 2HB LYS 16 4.060 -4.413 7.862 164 2HB LYS 16 1HB LYS 16 4.327 -3.717 6.262 165 1HG LYS 16 2HG LYS 16 3.714 -6.017 5.932 166 2HG LYS 16 1HG LYS 16 5.441 -5.886 5.600 167 1HD LYS 16 2HD LYS 16 5.995 -7.203 7.339 168 2HD LYS 16 1HD LYS 16 4.846 -6.407 8.417 169 1HE LYS 16 2HE LYS 16 3.564 -8.282 8.256 170 2HE LYS 16 1HE LYS 16 3.254 -7.831 6.567 171 1HZ LYS 16 1HZ LYS 16 5.698 -9.263 7.451 172 2HZ LYS 16 2HZ LYS 16 5.175 -8.997 5.857 173 3HZ LYS 16 3HZ LYS 16 4.319 -10.061 6.868 Start of MODEL 33 1 1H ARG 1 1HT ARG 1 -6.997 7.223 3.689 2 2H ARG 1 2HT ARG 1 -5.683 8.298 3.637 3 3H ARG 1 3HT ARG 1 -5.417 6.622 3.552 4 HA ARG 1 HA ARG 1 -6.900 8.153 1.502 5 1HB ARG 1 2HB ARG 1 -4.192 8.127 2.172 6 2HB ARG 1 1HB ARG 1 -4.374 7.187 0.699 7 1HG ARG 1 2HG ARG 1 -5.519 9.016 -0.398 8 2HG ARG 1 1HG ARG 1 -5.531 9.951 1.098 9 1HD ARG 1 2HD ARG 1 -2.965 9.025 -0.235 10 2HD ARG 1 1HD ARG 1 -3.695 10.616 -0.528 11 HE ARG 1 HE ARG 1 -2.480 9.721 2.007 12 1HH1 ARG 1 1HH1 ARG 1 -2.816 12.386 0.170 13 2HH1 ARG 1 2HH1 ARG 1 -3.408 13.442 1.409 14 1HH2 ARG 1 1HH2 ARG 1 -3.967 10.890 3.688 15 2HH2 ARG 1 2HH2 ARG 1 -4.057 12.595 3.401 16 H GLN 2 H GLN 2 -5.957 6.619 -0.611 17 HA GLN 2 HA GLN 2 -6.537 3.789 0.045 18 1HB GLN 2 2HB GLN 2 -8.094 5.687 -1.657 19 2HB GLN 2 1HB GLN 2 -8.071 3.961 -1.990 20 1HG GLN 2 2HG GLN 2 -8.703 3.592 0.442 21 2HG GLN 2 1HG GLN 2 -9.014 5.326 0.528 22 1HE2 GLN 2 1HE2 GLN 2 -10.659 2.509 0.164 23 2HE2 GLN 2 2HE2 GLN 2 -11.927 3.026 -0.838 24 H ILE 3 H ILE 3 -6.217 5.887 -2.839 25 HA ILE 3 HA ILE 3 -5.150 4.218 -4.663 26 HB ILE 3 HB ILE 3 -3.596 6.261 -5.209 27 1HG1 ILE 3 2HG1 ILE 3 -5.576 7.825 -3.713 28 2HG1 ILE 3 1HG1 ILE 3 -4.401 7.006 -2.698 29 1HG2 ILE 3 1HG2 ILE 3 -6.608 6.149 -5.273 30 2HG2 ILE 3 2HG2 ILE 3 -5.476 5.796 -6.578 31 3HG2 ILE 3 3HG2 ILE 3 -5.708 7.458 -6.037 32 1HD1 ILE 3 1HD1 ILE 3 -3.191 8.906 -3.140 33 2HD1 ILE 3 2HD1 ILE 3 -3.976 9.172 -4.696 34 3HD1 ILE 3 3HD1 ILE 3 -2.715 7.948 -4.542 35 H LYS 4 H LYS 4 -3.245 5.774 -2.103 36 HA LYS 4 HA LYS 4 -0.812 4.383 -2.764 37 1HB LYS 4 2HB LYS 4 -1.905 6.053 -0.524 38 2HB LYS 4 1HB LYS 4 -0.418 5.150 -0.241 39 1HG LYS 4 2HG LYS 4 0.180 7.335 -1.058 40 2HG LYS 4 1HG LYS 4 0.505 6.166 -2.340 41 1HD LYS 4 2HD LYS 4 -1.416 6.773 -3.542 42 2HD LYS 4 1HD LYS 4 -2.127 7.580 -2.147 43 1HE LYS 4 2HE LYS 4 -1.337 9.407 -3.426 44 2HE LYS 4 1HE LYS 4 0.014 9.125 -2.309 45 1HZ LYS 4 1HZ LYS 4 1.048 7.694 -3.934 46 2HZ LYS 4 2HZ LYS 4 0.750 9.212 -4.637 47 3HZ LYS 4 3HZ LYS 4 -0.257 7.891 -5.001 48 H ILE 5 H ILE 5 -3.475 3.912 -0.537 49 HA ILE 5 HA ILE 5 -2.539 1.721 0.991 50 HB ILE 5 HB ILE 5 -5.309 2.256 -0.171 51 1HG1 ILE 5 2HG1 ILE 5 -4.854 4.285 0.856 52 2HG1 ILE 5 1HG1 ILE 5 -5.431 3.386 2.253 53 1HG2 ILE 5 1HG2 ILE 5 -5.979 1.260 2.097 54 2HG2 ILE 5 2HG2 ILE 5 -4.303 0.732 2.253 55 3HG2 ILE 5 3HG2 ILE 5 -5.300 0.128 0.929 56 1HD1 ILE 5 1HD1 ILE 5 -2.592 4.050 1.472 57 2HD1 ILE 5 2HD1 ILE 5 -2.945 2.730 2.587 58 3HD1 ILE 5 3HD1 ILE 5 -3.414 4.379 2.995 59 H PHE 6 H PHE 6 -3.664 1.994 -2.295 60 HA PHE 6 HA PHE 6 -3.914 -0.901 -2.759 61 1HB PHE 6 2HB PHE 6 -4.056 1.655 -4.287 62 2HB PHE 6 1HB PHE 6 -3.626 0.222 -5.221 63 HD1 PHE 6 1HD PHE 6 -5.438 -0.788 -6.265 64 HD2 PHE 6 2HD PHE 6 -5.982 0.990 -2.395 65 HE1 PHE 6 1HE PHE 6 -7.815 -1.497 -6.273 66 HE2 PHE 6 2HE PHE 6 -8.358 0.284 -2.402 67 HZ PHE 6 HZ PHE 6 -9.275 -0.961 -4.342 68 H PHE 7 H PHE 7 -1.445 1.572 -3.011 69 HA PHE 7 HA PHE 7 0.536 -0.307 -4.182 70 1HB PHE 7 2HB PHE 7 0.005 2.525 -4.142 71 2HB PHE 7 1HB PHE 7 1.598 2.251 -3.439 72 HD1 PHE 7 1HD PHE 7 3.155 2.821 -5.108 73 HD2 PHE 7 2HD PHE 7 -0.219 0.361 -6.118 74 HE1 PHE 7 1HE PHE 7 4.094 2.463 -7.376 75 HE2 PHE 7 2HE PHE 7 0.721 0.004 -8.385 76 HZ PHE 7 HZ PHE 7 2.877 1.054 -9.013 77 H GLN 8 H GLN 8 0.204 1.830 -1.321 78 HA GLN 8 HA GLN 8 2.403 1.116 0.208 79 1HB GLN 8 2HB GLN 8 -0.508 1.508 0.979 80 2HB GLN 8 1HB GLN 8 0.818 1.523 2.128 81 1HG GLN 8 2HG GLN 8 1.875 3.313 0.589 82 2HG GLN 8 1HG GLN 8 0.250 3.506 -0.069 83 1HE2 GLN 8 1HE2 GLN 8 -0.995 2.846 2.624 84 2HE2 GLN 8 2HE2 GLN 8 -0.767 4.240 3.563 85 H ASN 9 H ASN 9 -0.513 -0.734 -0.458 86 HA ASN 9 HA ASN 9 -0.218 -2.878 1.396 87 1HB ASN 9 2HB ASN 9 -2.200 -2.375 -0.032 88 2HB ASN 9 1HB ASN 9 -1.271 -2.850 -1.456 89 1HD2 ASN 9 1HD2 ASN 9 -3.360 -4.036 0.966 90 2HD2 ASN 9 2HD2 ASN 9 -3.070 -5.694 0.742 91 H ARG 10 H ARG 10 1.753 -1.877 -1.177 92 HA ARG 10 HA ARG 10 3.125 -4.535 -1.297 93 1HB ARG 10 2HB ARG 10 2.831 -2.489 -3.500 94 2HB ARG 10 1HB ARG 10 3.471 -4.126 -3.650 95 1HG ARG 10 2HG ARG 10 0.652 -3.518 -2.733 96 2HG ARG 10 1HG ARG 10 1.086 -3.857 -4.396 97 1HD ARG 10 2HD ARG 10 1.561 -5.726 -2.054 98 2HD ARG 10 1HD ARG 10 0.335 -5.938 -3.306 99 HE ARG 10 HE ARG 10 2.855 -6.899 -3.652 100 1HH1 ARG 10 1HH2 ARG 10 0.493 -5.781 -5.616 101 2HH1 ARG 10 2HH2 ARG 10 1.514 -5.288 -6.926 102 1HH2 ARG 10 1HH1 ARG 10 4.451 -5.649 -5.118 103 2HH2 ARG 10 2HH1 ARG 10 3.756 -5.213 -6.643 104 H ARG 11 H ARG 11 3.383 -1.383 -0.282 105 HA ARG 11 HA ARG 11 6.296 -1.164 -0.902 106 1HB ARG 11 2HB ARG 11 4.593 1.083 0.122 107 2HB ARG 11 1HB ARG 11 5.927 1.141 -1.028 108 1HG ARG 11 2HG ARG 11 3.938 -0.434 -2.216 109 2HG ARG 11 1HG ARG 11 3.109 0.937 -1.520 110 1HD ARG 11 2HD ARG 11 5.520 1.112 -3.352 111 2HD ARG 11 1HD ARG 11 3.847 1.472 -3.807 112 HE ARG 11 HE ARG 11 5.126 2.910 -1.545 113 1HH1 ARG 11 1HH2 ARG 11 2.377 3.681 -2.205 114 2HH1 ARG 11 2HH2 ARG 11 2.584 5.003 -3.304 115 1HH2 ARG 11 1HH1 ARG 11 5.902 4.258 -3.989 116 2HH2 ARG 11 2HH1 ARG 11 4.580 5.330 -4.314 117 H MET 12 H MET 12 3.834 -0.414 1.520 118 HA MET 12 HA MET 12 5.878 -0.332 3.653 119 1HB MET 12 2HB MET 12 3.757 -0.017 5.075 120 2HB MET 12 1HB MET 12 4.162 1.257 3.931 121 1HG MET 12 2HG MET 12 2.496 0.622 2.460 122 2HG MET 12 1HG MET 12 2.391 -1.002 3.129 123 1HE MET 12 1HE MET 12 2.349 2.408 5.513 124 2HE MET 12 2HE MET 12 0.857 2.938 4.743 125 3HE MET 12 3HE MET 12 2.274 2.592 3.755 126 H LYS 13 H LYS 13 3.321 -2.468 2.523 127 HA LYS 13 HA LYS 13 3.597 -4.397 4.681 128 1HB LYS 13 2HB LYS 13 2.614 -4.878 1.875 129 2HB LYS 13 1HB LYS 13 2.085 -5.673 3.352 130 1HG LYS 13 2HG LYS 13 1.415 -2.927 2.333 131 2HG LYS 13 1HG LYS 13 0.345 -4.193 2.895 132 1HD LYS 13 2HD LYS 13 2.245 -3.066 4.894 133 2HD LYS 13 1HD LYS 13 0.905 -2.041 4.379 134 1HE LYS 13 2HE LYS 13 0.289 -3.412 6.366 135 2HE LYS 13 1HE LYS 13 -0.693 -3.856 4.956 136 1HZ LYS 13 1HZ LYS 13 0.491 -5.719 6.264 137 2HZ LYS 13 2HZ LYS 13 1.891 -5.193 5.458 138 3HZ LYS 13 3HZ LYS 13 0.554 -5.750 4.571 139 H PHE 14 H PHE 14 5.367 -3.476 1.958 140 HA PHE 14 HA PHE 14 6.645 -5.998 1.290 141 1HB PHE 14 2HB PHE 14 6.246 -3.439 0.234 142 2HB PHE 14 1HB PHE 14 7.975 -3.496 0.560 143 HD1 PHE 14 1HD PHE 14 5.426 -5.991 -0.626 144 HD2 PHE 14 2HD PHE 14 9.218 -4.095 -1.317 145 HE1 PHE 14 1HE PHE 14 5.765 -7.401 -2.637 146 HE2 PHE 14 2HE PHE 14 9.556 -5.506 -3.329 147 HZ PHE 14 HZ PHE 14 7.829 -7.158 -3.988 148 H LYS 15 H LYS 15 6.985 -3.575 3.704 149 HA LYS 15 HA LYS 15 9.539 -4.825 4.600 150 1HB LYS 15 2HB LYS 15 10.282 -2.431 5.136 151 2HB LYS 15 1HB LYS 15 10.255 -2.862 3.429 152 1HG LYS 15 2HG LYS 15 7.666 -1.929 3.965 153 2HG LYS 15 1HG LYS 15 8.725 -0.834 4.848 154 1HD LYS 15 2HD LYS 15 8.994 -1.569 1.921 155 2HD LYS 15 1HD LYS 15 8.362 -0.043 2.543 156 1HE LYS 15 2HE LYS 15 10.784 -0.235 3.862 157 2HE LYS 15 1HE LYS 15 11.159 -0.913 2.265 158 1HZ LYS 15 1HZ LYS 15 9.781 1.666 2.803 159 2HZ LYS 15 2HZ LYS 15 10.011 0.993 1.260 160 3HZ LYS 15 3HZ LYS 15 11.349 1.481 2.186 161 H LYS 16 H LYS 16 6.457 -4.295 5.294 162 HA LYS 16 HA LYS 16 6.211 -2.967 7.701 163 1HB LYS 16 2HB LYS 16 4.214 -4.418 7.949 164 2HB LYS 16 1HB LYS 16 4.407 -3.798 6.305 165 1HG LYS 16 2HG LYS 16 3.866 -6.144 6.140 166 2HG LYS 16 1HG LYS 16 5.565 -5.953 5.707 167 1HD LYS 16 2HD LYS 16 6.278 -7.130 7.494 168 2HD LYS 16 1HD LYS 16 5.120 -6.354 8.578 169 1HE LYS 16 2HE LYS 16 3.753 -8.162 8.471 170 2HE LYS 16 1HE LYS 16 3.728 -8.081 6.698 171 1HZ LYS 16 1HZ LYS 16 5.800 -9.225 6.588 172 2HZ LYS 16 2HZ LYS 16 4.781 -10.134 7.598 173 3HZ LYS 16 3HZ LYS 16 6.002 -9.164 8.271 Start of MODEL 34 1 1H ARG 1 1HT ARG 1 -5.117 10.178 -0.531 2 2H ARG 1 2HT ARG 1 -5.946 8.970 -1.389 3 3H ARG 1 3HT ARG 1 -4.411 8.650 -0.738 4 HA ARG 1 HA ARG 1 -5.336 8.987 1.522 5 1HB ARG 1 2HB ARG 1 -7.775 9.179 1.685 6 2HB ARG 1 1HB ARG 1 -7.145 10.472 0.663 7 1HG ARG 1 2HG ARG 1 -7.817 9.317 -1.344 8 2HG ARG 1 1HG ARG 1 -8.215 7.858 -0.437 9 1HD ARG 1 2HD ARG 1 -10.335 8.815 -0.679 10 2HD ARG 1 1HD ARG 1 -9.835 9.525 0.869 11 HE ARG 1 HE ARG 1 -9.412 11.599 -0.251 12 1HH1 ARG 1 1HH1 ARG 1 -11.900 10.834 -1.770 13 2HH1 ARG 1 2HH1 ARG 1 -11.396 11.064 -3.411 14 1HH2 ARG 1 1HH2 ARG 1 -8.015 11.120 -2.645 15 2HH2 ARG 1 2HH2 ARG 1 -9.198 11.225 -3.906 16 H GLN 2 H GLN 2 -6.322 7.117 -1.299 17 HA GLN 2 HA GLN 2 -6.137 4.649 0.337 18 1HB GLN 2 2HB GLN 2 -8.356 5.625 -1.441 19 2HB GLN 2 1HB GLN 2 -8.140 3.928 -1.040 20 1HG GLN 2 2HG GLN 2 -8.034 4.739 1.416 21 2HG GLN 2 1HG GLN 2 -8.792 6.206 0.799 22 1HE2 GLN 2 1HE2 GLN 2 -11.038 6.136 0.850 23 2HE2 GLN 2 2HE2 GLN 2 -11.975 4.724 0.766 24 H ILE 3 H ILE 3 -6.134 6.112 -2.920 25 HA ILE 3 HA ILE 3 -5.562 3.920 -4.476 26 HB ILE 3 HB ILE 3 -4.464 5.495 -5.961 27 1HG1 ILE 3 2HG1 ILE 3 -2.997 6.447 -4.179 28 2HG1 ILE 3 1HG1 ILE 3 -3.694 7.643 -5.238 29 1HG2 ILE 3 1HG2 ILE 3 -6.220 7.542 -5.045 30 2HG2 ILE 3 2HG2 ILE 3 -6.986 5.991 -4.704 31 3HG2 ILE 3 3HG2 ILE 3 -6.482 6.384 -6.348 32 1HD1 ILE 3 1HD1 ILE 3 -4.443 7.035 -2.390 33 2HD1 ILE 3 2HD1 ILE 3 -5.538 7.902 -3.462 34 3HD1 ILE 3 3HD1 ILE 3 -3.954 8.574 -3.089 35 H LYS 4 H LYS 4 -3.456 5.650 -2.254 36 HA LYS 4 HA LYS 4 -1.024 4.274 -2.845 37 1HB LYS 4 2HB LYS 4 -2.192 5.978 -0.690 38 2HB LYS 4 1HB LYS 4 -0.750 5.054 -0.281 39 1HG LYS 4 2HG LYS 4 0.029 7.142 -1.100 40 2HG LYS 4 1HG LYS 4 0.277 5.989 -2.414 41 1HD LYS 4 2HD LYS 4 -1.549 6.770 -3.614 42 2HD LYS 4 1HD LYS 4 -2.275 7.524 -2.203 43 1HE LYS 4 2HE LYS 4 0.222 8.787 -2.455 44 2HE LYS 4 1HE LYS 4 -0.403 8.677 -4.111 45 1HZ LYS 4 1HZ LYS 4 -1.202 10.634 -2.730 46 2HZ LYS 4 2HZ LYS 4 -2.114 9.509 -1.841 47 3HZ LYS 4 3HZ LYS 4 -2.397 9.714 -3.504 48 H ILE 5 H ILE 5 -3.727 3.697 -0.663 49 HA ILE 5 HA ILE 5 -2.746 1.649 0.966 50 HB ILE 5 HB ILE 5 -5.383 2.259 -0.361 51 1HG1 ILE 5 2HG1 ILE 5 -5.882 3.367 1.594 52 2HG1 ILE 5 1HG1 ILE 5 -4.931 2.277 2.560 53 1HG2 ILE 5 1HG2 ILE 5 -6.207 0.658 1.593 54 2HG2 ILE 5 2HG2 ILE 5 -4.626 -0.083 1.344 55 3HG2 ILE 5 3HG2 ILE 5 -5.778 0.005 0.012 56 1HD1 ILE 5 1HD1 ILE 5 -3.882 4.523 0.839 57 2HD1 ILE 5 2HD1 ILE 5 -2.849 3.338 1.637 58 3HD1 ILE 5 3HD1 ILE 5 -3.840 4.430 2.595 59 H PHE 6 H PHE 6 -3.700 1.720 -2.376 60 HA PHE 6 HA PHE 6 -3.661 -1.178 -2.827 61 1HB PHE 6 2HB PHE 6 -4.300 1.253 -4.215 62 2HB PHE 6 1HB PHE 6 -3.139 0.362 -5.199 63 HD1 PHE 6 1HD PHE 6 -6.357 -0.009 -3.337 64 HD2 PHE 6 2HD PHE 6 -3.807 -1.531 -6.441 65 HE1 PHE 6 1HE PHE 6 -8.151 -1.566 -4.047 66 HE2 PHE 6 2HE PHE 6 -5.602 -3.088 -7.151 67 HZ PHE 6 HZ PHE 6 -7.774 -3.106 -5.954 68 H PHE 7 H PHE 7 -1.402 1.515 -3.127 69 HA PHE 7 HA PHE 7 0.790 -0.201 -4.131 70 1HB PHE 7 2HB PHE 7 0.013 2.519 -4.241 71 2HB PHE 7 1HB PHE 7 1.468 2.492 -3.246 72 HD1 PHE 7 1HD PHE 7 3.224 0.559 -4.252 73 HD2 PHE 7 2HD PHE 7 0.459 2.976 -6.480 74 HE1 PHE 7 1HE PHE 7 4.617 0.277 -6.285 75 HE2 PHE 7 2HE PHE 7 1.851 2.693 -8.514 76 HZ PHE 7 HZ PHE 7 3.930 1.344 -8.415 77 H GLN 8 H GLN 8 0.015 1.767 -1.261 78 HA GLN 8 HA GLN 8 2.252 1.252 0.349 79 1HB GLN 8 2HB GLN 8 -0.698 1.482 1.006 80 2HB GLN 8 1HB GLN 8 0.583 1.584 2.204 81 1HG GLN 8 2HG GLN 8 1.606 3.423 0.756 82 2HG GLN 8 1HG GLN 8 0.056 3.484 -0.088 83 1HE2 GLN 8 1HE2 GLN 8 1.141 5.652 1.571 84 2HE2 GLN 8 2HE2 GLN 8 0.068 5.867 2.869 85 H ASN 9 H ASN 9 -0.556 -0.740 -0.358 86 HA ASN 9 HA ASN 9 -0.143 -2.845 1.518 87 1HB ASN 9 2HB ASN 9 -2.159 -2.472 0.106 88 2HB ASN 9 1HB ASN 9 -1.205 -2.896 -1.320 89 1HD2 ASN 9 1HD2 ASN 9 -1.333 -4.420 1.948 90 2HD2 ASN 9 2HD2 ASN 9 -1.737 -5.964 1.373 91 H ARG 10 H ARG 10 1.757 -1.765 -1.069 92 HA ARG 10 HA ARG 10 3.240 -4.355 -1.193 93 1HB ARG 10 2HB ARG 10 2.843 -2.362 -3.424 94 2HB ARG 10 1HB ARG 10 3.500 -3.993 -3.551 95 1HG ARG 10 2HG ARG 10 0.684 -3.383 -2.617 96 2HG ARG 10 1HG ARG 10 1.113 -3.788 -4.266 97 1HD ARG 10 2HD ARG 10 2.349 -5.831 -2.966 98 2HD ARG 10 1HD ARG 10 0.965 -5.559 -1.903 99 HE ARG 10 HE ARG 10 0.691 -6.922 -4.250 100 1HH1 ARG 10 1HH2 ARG 10 -1.695 -6.164 -2.654 101 2HH1 ARG 10 2HH2 ARG 10 -2.595 -5.186 -3.764 102 1HH2 ARG 10 1HH1 ARG 10 0.087 -4.671 -5.900 103 2HH2 ARG 10 2HH1 ARG 10 -1.587 -4.341 -5.601 104 H ARG 11 H ARG 11 3.445 -1.224 -0.095 105 HA ARG 11 HA ARG 11 6.310 -0.973 -0.890 106 1HB ARG 11 2HB ARG 11 5.869 1.269 -1.250 107 2HB ARG 11 1HB ARG 11 4.236 0.668 -1.481 108 1HG ARG 11 2HG ARG 11 3.695 2.206 0.042 109 2HG ARG 11 1HG ARG 11 4.287 1.040 1.207 110 1HD ARG 11 2HD ARG 11 5.789 3.379 -0.009 111 2HD ARG 11 1HD ARG 11 5.380 3.125 1.686 112 HE ARG 11 HE ARG 11 7.161 1.225 0.255 113 1HH1 ARG 11 1HH2 ARG 11 6.027 2.099 3.258 114 2HH1 ARG 11 2HH2 ARG 11 7.578 2.215 4.020 115 1HH2 ARG 11 1HH1 ARG 11 9.353 1.903 1.058 116 2HH2 ARG 11 2HH1 ARG 11 9.460 2.105 2.775 117 H MET 12 H MET 12 3.927 -0.687 1.664 118 HA MET 12 HA MET 12 6.119 -0.449 3.684 119 1HB MET 12 2HB MET 12 3.927 -0.135 5.158 120 2HB MET 12 1HB MET 12 4.568 1.195 4.200 121 1HG MET 12 2HG MET 12 2.919 1.021 2.613 122 2HG MET 12 1HG MET 12 2.647 -0.681 2.946 123 1HE MET 12 1HE MET 12 0.914 3.039 4.559 124 2HE MET 12 2HE MET 12 2.491 2.769 3.822 125 3HE MET 12 3HE MET 12 2.320 2.685 5.573 126 H LYS 13 H LYS 13 3.428 -2.435 2.599 127 HA LYS 13 HA LYS 13 3.665 -4.426 4.707 128 1HB LYS 13 2HB LYS 13 2.602 -4.814 1.921 129 2HB LYS 13 1HB LYS 13 2.053 -5.585 3.404 130 1HG LYS 13 2HG LYS 13 1.515 -2.807 2.399 131 2HG LYS 13 1HG LYS 13 0.391 -4.018 2.975 132 1HD LYS 13 2HD LYS 13 2.386 -2.920 4.915 133 2HD LYS 13 1HD LYS 13 1.000 -1.922 4.465 134 1HE LYS 13 2HE LYS 13 -0.396 -3.172 5.743 135 2HE LYS 13 1HE LYS 13 0.203 -4.681 5.027 136 1HZ LYS 13 1HZ LYS 13 1.612 -3.082 7.100 137 2HZ LYS 13 2HZ LYS 13 2.169 -4.532 6.414 138 3HZ LYS 13 3HZ LYS 13 0.776 -4.530 7.387 139 H PHE 14 H PHE 14 5.364 -3.481 1.943 140 HA PHE 14 HA PHE 14 6.537 -5.986 1.104 141 1HB PHE 14 2HB PHE 14 6.274 -3.312 0.261 142 2HB PHE 14 1HB PHE 14 8.000 -3.523 0.536 143 HD1 PHE 14 1HD PHE 14 5.200 -5.619 -0.840 144 HD2 PHE 14 2HD PHE 14 9.203 -4.150 -1.353 145 HE1 PHE 14 1HE PHE 14 5.386 -6.874 -2.971 146 HE2 PHE 14 2HE PHE 14 9.390 -5.405 -3.484 147 HZ PHE 14 HZ PHE 14 7.481 -6.767 -4.293 148 H LYS 15 H LYS 15 7.025 -3.750 3.679 149 HA LYS 15 HA LYS 15 9.510 -5.195 4.459 150 1HB LYS 15 2HB LYS 15 10.397 -2.894 5.125 151 2HB LYS 15 1HB LYS 15 10.295 -3.194 3.392 152 1HG LYS 15 2HG LYS 15 7.781 -2.167 4.074 153 2HG LYS 15 1HG LYS 15 8.917 -1.207 5.017 154 1HD LYS 15 2HD LYS 15 9.019 -1.682 2.027 155 2HD LYS 15 1HD LYS 15 8.588 -0.172 2.832 156 1HE LYS 15 2HE LYS 15 11.296 -1.547 3.028 157 2HE LYS 15 1HE LYS 15 10.942 -0.084 2.089 158 1HZ LYS 15 1HZ LYS 15 10.032 0.860 4.221 159 2HZ LYS 15 2HZ LYS 15 11.719 0.662 4.175 160 3HZ LYS 15 3HZ LYS 15 10.753 -0.447 5.025 161 H LYS 16 H LYS 16 6.463 -4.531 5.240 162 HA LYS 16 HA LYS 16 6.397 -3.370 7.761 163 1HB LYS 16 2HB LYS 16 4.239 -4.580 7.912 164 2HB LYS 16 1HB LYS 16 4.493 -3.849 6.325 165 1HG LYS 16 2HG LYS 16 3.681 -6.079 5.944 166 2HG LYS 16 1HG LYS 16 5.399 -6.078 5.545 167 1HD LYS 16 2HD LYS 16 5.903 -7.505 7.207 168 2HD LYS 16 1HD LYS 16 4.884 -6.648 8.365 169 1HE LYS 16 2HE LYS 16 3.533 -8.494 8.222 170 2HE LYS 16 1HE LYS 16 3.016 -7.803 6.671 171 1HZ LYS 16 1HZ LYS 16 5.006 -8.905 5.674 172 2HZ LYS 16 2HZ LYS 16 3.817 -9.983 6.229 173 3HZ LYS 16 3HZ LYS 16 5.228 -9.728 7.140 Start of MODEL 35 1 1H ARG 1 1HT ARG 1 -4.727 8.700 -0.924 2 2H ARG 1 2HT ARG 1 -5.431 10.208 -0.584 3 3H ARG 1 3HT ARG 1 -6.335 9.004 -1.366 4 HA ARG 1 HA ARG 1 -5.363 8.962 1.446 5 1HB ARG 1 2HB ARG 1 -7.806 9.017 1.884 6 2HB ARG 1 1HB ARG 1 -7.284 10.420 0.948 7 1HG ARG 1 2HG ARG 1 -8.358 9.716 -0.964 8 2HG ARG 1 1HG ARG 1 -8.157 8.007 -0.580 9 1HD ARG 1 2HD ARG 1 -10.366 8.089 -0.002 10 2HD ARG 1 1HD ARG 1 -9.796 8.894 1.473 11 HE ARG 1 HE ARG 1 -9.982 11.061 0.073 12 1HH1 ARG 1 1HH2 ARG 1 -12.487 9.164 0.896 13 2HH1 ARG 1 2HH2 ARG 1 -13.540 9.596 -0.410 14 1HH2 ARG 1 1HH1 ARG 1 -11.070 11.229 -2.214 15 2HH2 ARG 1 2HH1 ARG 1 -12.737 10.764 -2.170 16 H GLN 2 H GLN 2 -6.372 7.100 -1.326 17 HA GLN 2 HA GLN 2 -6.170 4.629 0.304 18 1HB GLN 2 2HB GLN 2 -8.384 5.578 -1.491 19 2HB GLN 2 1HB GLN 2 -8.140 3.882 -1.109 20 1HG GLN 2 2HG GLN 2 -8.054 4.705 1.360 21 2HG GLN 2 1HG GLN 2 -8.897 6.118 0.729 22 1HE2 GLN 2 1HE2 GLN 2 -9.530 3.216 2.178 23 2HE2 GLN 2 2HE2 GLN 2 -11.056 2.882 1.511 24 H ILE 3 H ILE 3 -6.132 6.112 -2.943 25 HA ILE 3 HA ILE 3 -5.525 3.936 -4.508 26 HB ILE 3 HB ILE 3 -4.419 5.528 -5.965 27 1HG1 ILE 3 2HG1 ILE 3 -2.973 6.469 -4.164 28 2HG1 ILE 3 1HG1 ILE 3 -3.664 7.673 -5.216 29 1HG2 ILE 3 1HG2 ILE 3 -6.190 7.563 -5.054 30 2HG2 ILE 3 2HG2 ILE 3 -6.956 6.008 -4.733 31 3HG2 ILE 3 3HG2 ILE 3 -6.436 6.413 -6.368 32 1HD1 ILE 3 1HD1 ILE 3 -5.524 7.912 -3.457 33 2HD1 ILE 3 2HD1 ILE 3 -3.943 8.579 -3.058 34 3HD1 ILE 3 3HD1 ILE 3 -4.440 7.032 -2.383 35 H LYS 4 H LYS 4 -3.453 5.653 -2.244 36 HA LYS 4 HA LYS 4 -1.015 4.278 -2.829 37 1HB LYS 4 2HB LYS 4 -2.194 5.987 -0.684 38 2HB LYS 4 1HB LYS 4 -0.762 5.057 -0.259 39 1HG LYS 4 2HG LYS 4 0.021 7.153 -1.073 40 2HG LYS 4 1HG LYS 4 0.305 5.984 -2.367 41 1HD LYS 4 2HD LYS 4 -1.523 6.729 -3.606 42 2HD LYS 4 1HD LYS 4 -2.247 7.536 -2.222 43 1HE LYS 4 2HE LYS 4 -1.174 9.466 -2.748 44 2HE LYS 4 1HE LYS 4 0.390 8.630 -2.713 45 1HZ LYS 4 1HZ LYS 4 -0.223 7.689 -4.932 46 2HZ LYS 4 2HZ LYS 4 0.058 9.365 -4.931 47 3HZ LYS 4 3HZ LYS 4 -1.531 8.766 -4.970 48 H ILE 5 H ILE 5 -3.742 3.687 -0.683 49 HA ILE 5 HA ILE 5 -2.773 1.645 0.960 50 HB ILE 5 HB ILE 5 -5.394 2.248 -0.400 51 1HG1 ILE 5 2HG1 ILE 5 -5.925 3.338 1.560 52 2HG1 ILE 5 1HG1 ILE 5 -4.971 2.252 2.528 53 1HG2 ILE 5 1HG2 ILE 5 -5.556 -0.108 -0.047 54 2HG2 ILE 5 2HG2 ILE 5 -6.378 0.631 1.327 55 3HG2 ILE 5 3HG2 ILE 5 -4.742 -0.002 1.514 56 1HD1 ILE 5 1HD1 ILE 5 -3.904 4.421 2.575 57 2HD1 ILE 5 2HD1 ILE 5 -3.925 4.509 0.819 58 3HD1 ILE 5 3HD1 ILE 5 -2.893 3.334 1.631 59 H PHE 6 H PHE 6 -3.689 1.703 -2.397 60 HA PHE 6 HA PHE 6 -3.617 -1.203 -2.818 61 1HB PHE 6 2HB PHE 6 -4.114 1.269 -4.304 62 2HB PHE 6 1HB PHE 6 -3.175 0.119 -5.254 63 HD1 PHE 6 1HD PHE 6 -6.413 0.864 -3.760 64 HD2 PHE 6 2HD PHE 6 -4.056 -2.190 -5.650 65 HE1 PHE 6 1HE PHE 6 -8.467 -0.460 -4.183 66 HE2 PHE 6 2HE PHE 6 -6.110 -3.513 -6.073 67 HZ PHE 6 HZ PHE 6 -8.316 -2.648 -5.338 68 H PHE 7 H PHE 7 -1.387 1.510 -3.100 69 HA PHE 7 HA PHE 7 0.824 -0.182 -4.104 70 1HB PHE 7 2HB PHE 7 0.028 2.534 -4.208 71 2HB PHE 7 1HB PHE 7 1.478 2.512 -3.201 72 HD1 PHE 7 1HD PHE 7 3.639 2.001 -4.119 73 HD2 PHE 7 2HD PHE 7 0.104 1.603 -6.527 74 HE1 PHE 7 1HE PHE 7 5.047 1.743 -6.145 75 HE2 PHE 7 2HE PHE 7 1.512 1.344 -8.551 76 HZ PHE 7 HZ PHE 7 3.984 1.414 -8.361 77 H GLN 8 H GLN 8 0.017 1.770 -1.233 78 HA GLN 8 HA GLN 8 2.234 1.259 0.401 79 1HB GLN 8 2HB GLN 8 -0.722 1.479 1.019 80 2HB GLN 8 1HB GLN 8 0.540 1.571 2.236 81 1HG GLN 8 2HG GLN 8 1.586 3.416 0.800 82 2HG GLN 8 1HG GLN 8 0.033 3.493 -0.036 83 1HE2 GLN 8 1HE2 GLN 8 1.513 3.782 3.223 84 2HE2 GLN 8 2HE2 GLN 8 0.289 4.767 3.864 85 H ASN 9 H ASN 9 -0.569 -0.737 -0.320 86 HA ASN 9 HA ASN 9 -0.146 -2.843 1.550 87 1HB ASN 9 2HB ASN 9 -2.165 -2.473 0.142 88 2HB ASN 9 1HB ASN 9 -1.214 -2.895 -1.286 89 1HD2 ASN 9 1HD2 ASN 9 -1.768 -4.989 -1.908 90 2HD2 ASN 9 2HD2 ASN 9 -1.988 -6.295 -0.845 91 H ARG 10 H ARG 10 1.746 -1.762 -1.046 92 HA ARG 10 HA ARG 10 3.229 -4.353 -1.169 93 1HB ARG 10 2HB ARG 10 2.845 -2.362 -3.403 94 2HB ARG 10 1HB ARG 10 3.486 -4.001 -3.525 95 1HG ARG 10 2HG ARG 10 0.679 -3.373 -2.584 96 2HG ARG 10 1HG ARG 10 1.095 -3.761 -4.240 97 1HD ARG 10 2HD ARG 10 1.622 -5.562 -1.858 98 2HD ARG 10 1HD ARG 10 0.352 -5.804 -3.059 99 HE ARG 10 HE ARG 10 2.841 -6.801 -3.472 100 1HH1 ARG 10 1HH2 ARG 10 0.475 -5.851 -5.452 101 2HH1 ARG 10 2HH2 ARG 10 1.466 -5.309 -6.764 102 1HH2 ARG 10 1HH1 ARG 10 4.407 -5.402 -4.928 103 2HH2 ARG 10 2HH1 ARG 10 3.693 -5.054 -6.468 104 H ARG 11 H ARG 11 3.438 -1.211 -0.090 105 HA ARG 11 HA ARG 11 6.308 -0.975 -0.881 106 1HB ARG 11 2HB ARG 11 5.881 1.281 -1.226 107 2HB ARG 11 1HB ARG 11 4.267 0.657 -1.524 108 1HG ARG 11 2HG ARG 11 3.587 2.112 0.004 109 2HG ARG 11 1HG ARG 11 4.294 1.045 1.200 110 1HD ARG 11 2HD ARG 11 5.661 3.385 -0.169 111 2HD ARG 11 1HD ARG 11 5.157 3.310 1.520 112 HE ARG 11 HE ARG 11 7.072 1.306 0.468 113 1HH1 ARG 11 1HH1 ARG 11 7.603 4.324 1.460 114 2HH1 ARG 11 2HH1 ARG 11 8.379 3.954 2.963 115 1HH2 ARG 11 1HH2 ARG 11 7.482 0.609 2.909 116 2HH2 ARG 11 2HH2 ARG 11 8.310 1.851 3.783 117 H MET 12 H MET 12 3.928 -0.689 1.668 118 HA MET 12 HA MET 12 6.120 -0.432 3.684 119 1HB MET 12 2HB MET 12 3.934 -0.106 5.159 120 2HB MET 12 1HB MET 12 4.575 1.218 4.192 121 1HG MET 12 2HG MET 12 2.920 1.042 2.615 122 2HG MET 12 1HG MET 12 2.650 -0.660 2.947 123 1HE MET 12 1HE MET 12 1.389 3.031 5.175 124 2HE MET 12 2HE MET 12 2.940 2.630 4.442 125 3HE MET 12 3HE MET 12 2.602 2.135 6.098 126 H LYS 13 H LYS 13 3.438 -2.426 2.602 127 HA LYS 13 HA LYS 13 3.685 -4.408 4.721 128 1HB LYS 13 2HB LYS 13 2.586 -4.806 1.953 129 2HB LYS 13 1HB LYS 13 2.050 -5.562 3.447 130 1HG LYS 13 2HG LYS 13 1.520 -2.786 2.430 131 2HG LYS 13 1HG LYS 13 0.394 -3.987 3.020 132 1HD LYS 13 2HD LYS 13 2.410 -2.883 4.936 133 2HD LYS 13 1HD LYS 13 1.014 -1.894 4.497 134 1HE LYS 13 2HE LYS 13 -0.377 -3.158 5.771 135 2HE LYS 13 1HE LYS 13 0.265 -4.668 5.096 136 1HZ LYS 13 1HZ LYS 13 1.543 -2.987 7.189 137 2HZ LYS 13 2HZ LYS 13 2.260 -4.351 6.474 138 3HZ LYS 13 3HZ LYS 13 0.857 -4.521 7.417 139 H PHE 14 H PHE 14 5.348 -3.489 1.923 140 HA PHE 14 HA PHE 14 6.484 -6.009 1.077 141 1HB PHE 14 2HB PHE 14 6.244 -3.343 0.221 142 2HB PHE 14 1HB PHE 14 7.968 -3.546 0.511 143 HD1 PHE 14 1HD PHE 14 9.255 -4.349 -1.256 144 HD2 PHE 14 2HD PHE 14 5.123 -5.490 -0.987 145 HE1 PHE 14 1HE PHE 14 9.468 -5.616 -3.378 146 HE2 PHE 14 2HE PHE 14 5.335 -6.757 -3.109 147 HZ PHE 14 HZ PHE 14 7.508 -6.820 -4.304 148 H LYS 15 H LYS 15 7.047 -3.749 3.627 149 HA LYS 15 HA LYS 15 9.483 -5.261 4.419 150 1HB LYS 15 2HB LYS 15 10.371 -2.898 5.099 151 2HB LYS 15 1HB LYS 15 10.485 -3.385 3.411 152 1HG LYS 15 2HG LYS 15 7.922 -2.203 3.754 153 2HG LYS 15 1HG LYS 15 9.078 -1.152 4.561 154 1HD LYS 15 2HD LYS 15 9.224 -2.132 1.699 155 2HD LYS 15 1HD LYS 15 8.904 -0.484 2.233 156 1HE LYS 15 2HE LYS 15 11.125 -0.066 2.267 157 2HE LYS 15 1HE LYS 15 11.345 -1.352 3.470 158 1HZ LYS 15 1HZ LYS 15 12.566 -1.960 1.525 159 2HZ LYS 15 2HZ LYS 15 11.232 -1.659 0.517 160 3HZ LYS 15 3HZ LYS 15 11.202 -2.965 1.603 161 H LYS 16 H LYS 16 6.485 -4.528 5.208 162 HA LYS 16 HA LYS 16 6.436 -3.277 7.684 163 1HB LYS 16 2HB LYS 16 4.287 -4.495 7.906 164 2HB LYS 16 1HB LYS 16 4.517 -3.811 6.295 165 1HG LYS 16 2HG LYS 16 3.710 -6.055 5.993 166 2HG LYS 16 1HG LYS 16 5.421 -6.058 5.568 167 1HD LYS 16 2HD LYS 16 5.956 -7.435 7.264 168 2HD LYS 16 1HD LYS 16 4.955 -6.544 8.412 169 1HE LYS 16 2HE LYS 16 3.980 -8.753 8.213 170 2HE LYS 16 1HE LYS 16 2.927 -7.659 7.294 171 1HZ LYS 16 1HZ LYS 16 3.491 -9.573 5.949 172 2HZ LYS 16 2HZ LYS 16 5.151 -9.294 6.188 173 3HZ LYS 16 3HZ LYS 16 4.219 -8.187 5.299 Start of MODEL 36 1 1H ARG 1 1HT ARG 1 -4.791 8.495 2.743 2 2H ARG 1 2HT ARG 1 -6.285 9.280 2.929 3 3H ARG 1 3HT ARG 1 -4.959 10.119 2.283 4 HA ARG 1 HA ARG 1 -6.758 9.246 0.670 5 1HB ARG 1 2HB ARG 1 -4.940 8.969 -0.979 6 2HB ARG 1 1HB ARG 1 -4.572 10.289 0.134 7 1HG ARG 1 2HG ARG 1 -3.270 8.586 1.518 8 2HG ARG 1 1HG ARG 1 -3.439 7.483 0.151 9 1HD ARG 1 2HD ARG 1 -1.307 8.648 -0.069 10 2HD ARG 1 1HD ARG 1 -2.407 9.283 -1.309 11 HE ARG 1 HE ARG 1 -2.803 11.239 0.125 12 1HH1 ARG 1 1HH2 ARG 1 0.235 9.904 0.159 13 2HH1 ARG 1 2HH2 ARG 1 0.756 10.642 1.637 14 1HH2 ARG 1 1HH1 ARG 1 -2.395 11.831 2.464 15 2HH2 ARG 1 2HH1 ARG 1 -0.732 11.732 2.943 16 H GLN 2 H GLN 2 -6.202 7.233 -1.059 17 HA GLN 2 HA GLN 2 -5.972 4.726 0.511 18 1HB GLN 2 2HB GLN 2 -8.264 5.768 -1.112 19 2HB GLN 2 1HB GLN 2 -8.011 4.044 -0.877 20 1HG GLN 2 2HG GLN 2 -7.923 4.469 1.603 21 2HG GLN 2 1HG GLN 2 -8.426 6.126 1.271 22 1HE2 GLN 2 1HE2 GLN 2 -10.634 6.489 0.602 23 2HE2 GLN 2 2HE2 GLN 2 -11.805 5.260 0.640 24 H ILE 3 H ILE 3 -6.047 6.272 -2.701 25 HA ILE 3 HA ILE 3 -5.585 4.119 -4.341 26 HB ILE 3 HB ILE 3 -4.505 5.702 -5.818 27 1HG1 ILE 3 2HG1 ILE 3 -2.924 6.553 -4.091 28 2HG1 ILE 3 1HG1 ILE 3 -3.640 7.809 -5.064 29 1HG2 ILE 3 1HG2 ILE 3 -6.487 6.705 -6.096 30 2HG2 ILE 3 2HG2 ILE 3 -6.156 7.770 -4.730 31 3HG2 ILE 3 3HG2 ILE 3 -6.958 6.222 -4.467 32 1HD1 ILE 3 1HD1 ILE 3 -5.374 8.058 -3.188 33 2HD1 ILE 3 2HD1 ILE 3 -3.748 8.653 -2.865 34 3HD1 ILE 3 3HD1 ILE 3 -4.264 7.104 -2.208 35 H LYS 4 H LYS 4 -3.318 5.709 -2.166 36 HA LYS 4 HA LYS 4 -0.994 4.226 -2.927 37 1HB LYS 4 2HB LYS 4 -1.942 6.023 -0.759 38 2HB LYS 4 1HB LYS 4 -0.584 4.982 -0.346 39 1HG LYS 4 2HG LYS 4 0.312 7.021 -1.233 40 2HG LYS 4 1HG LYS 4 0.538 5.766 -2.454 41 1HD LYS 4 2HD LYS 4 -1.370 6.510 -3.679 42 2HD LYS 4 1HD LYS 4 -1.826 7.613 -2.388 43 1HE LYS 4 2HE LYS 4 0.912 7.958 -3.530 44 2HE LYS 4 1HE LYS 4 -0.453 8.469 -4.541 45 1HZ LYS 4 1HZ LYS 4 -1.291 9.820 -2.802 46 2HZ LYS 4 2HZ LYS 4 0.361 10.193 -2.940 47 3HZ LYS 4 3HZ LYS 4 -0.186 9.195 -1.677 48 H ILE 5 H ILE 5 -3.621 3.723 -0.640 49 HA ILE 5 HA ILE 5 -2.640 1.630 0.938 50 HB ILE 5 HB ILE 5 -5.307 2.345 -0.276 51 1HG1 ILE 5 2HG1 ILE 5 -5.695 3.427 1.720 52 2HG1 ILE 5 1HG1 ILE 5 -4.726 2.301 2.623 53 1HG2 ILE 5 1HG2 ILE 5 -6.264 0.746 1.475 54 2HG2 ILE 5 2HG2 ILE 5 -4.644 0.056 1.587 55 3HG2 ILE 5 3HG2 ILE 5 -5.528 -0.012 0.063 56 1HD1 ILE 5 1HD1 ILE 5 -3.580 4.425 2.635 57 2HD1 ILE 5 2HD1 ILE 5 -3.705 4.545 0.884 58 3HD1 ILE 5 3HD1 ILE 5 -2.666 3.322 1.613 59 H PHE 6 H PHE 6 -3.741 1.765 -2.364 60 HA PHE 6 HA PHE 6 -3.820 -1.122 -2.848 61 1HB PHE 6 2HB PHE 6 -4.323 1.369 -4.222 62 2HB PHE 6 1HB PHE 6 -3.290 0.359 -5.232 63 HD1 PHE 6 1HD PHE 6 -4.022 -2.275 -5.105 64 HD2 PHE 6 2HD PHE 6 -6.608 1.110 -4.545 65 HE1 PHE 6 1HE PHE 6 -5.982 -3.671 -5.710 66 HE2 PHE 6 2HE PHE 6 -8.566 -0.285 -5.152 67 HZ PHE 6 HZ PHE 6 -8.254 -2.675 -5.734 68 H PHE 7 H PHE 7 -1.462 1.477 -3.172 69 HA PHE 7 HA PHE 7 0.641 -0.324 -4.211 70 1HB PHE 7 2HB PHE 7 0.013 2.483 -4.148 71 2HB PHE 7 1HB PHE 7 1.584 2.253 -3.379 72 HD1 PHE 7 1HD PHE 7 2.861 0.102 -4.753 73 HD2 PHE 7 2HD PHE 7 0.280 3.132 -6.372 74 HE1 PHE 7 1HE PHE 7 3.904 -0.200 -6.982 75 HE2 PHE 7 2HE PHE 7 1.324 2.829 -8.601 76 HZ PHE 7 HZ PHE 7 3.135 1.163 -8.906 77 H GLN 8 H GLN 8 0.153 1.748 -1.324 78 HA GLN 8 HA GLN 8 2.331 1.078 0.252 79 1HB GLN 8 2HB GLN 8 -0.607 1.336 0.979 80 2HB GLN 8 1HB GLN 8 0.706 1.409 2.140 81 1HG GLN 8 2HG GLN 8 1.690 3.250 0.609 82 2HG GLN 8 1HG GLN 8 0.057 3.377 -0.038 83 1HE2 GLN 8 1HE2 GLN 8 -1.142 2.639 2.660 84 2HE2 GLN 8 2HE2 GLN 8 -0.967 4.034 3.609 85 H ASN 9 H ASN 9 -0.500 -0.871 -0.508 86 HA ASN 9 HA ASN 9 -0.146 -3.028 1.323 87 1HB ASN 9 2HB ASN 9 -2.121 -2.561 -0.139 88 2HB ASN 9 1HB ASN 9 -1.157 -3.036 -1.541 89 1HD2 ASN 9 1HD2 ASN 9 -0.218 -5.348 -1.404 90 2HD2 ASN 9 2HD2 ASN 9 -1.167 -6.533 -0.645 91 H ARG 10 H ARG 10 1.814 -1.913 -1.209 92 HA ARG 10 HA ARG 10 3.296 -4.511 -1.353 93 1HB ARG 10 2HB ARG 10 2.967 -2.422 -3.512 94 2HB ARG 10 1HB ARG 10 3.681 -4.026 -3.687 95 1HG ARG 10 2HG ARG 10 0.817 -3.565 -2.824 96 2HG ARG 10 1HG ARG 10 1.307 -3.839 -4.485 97 1HD ARG 10 2HD ARG 10 2.314 -6.018 -3.832 98 2HD ARG 10 1HD ARG 10 1.766 -5.749 -2.174 99 HE ARG 10 HE ARG 10 -0.188 -6.744 -3.043 100 1HH1 ARG 10 1HH1 ARG 10 0.717 -6.613 -5.942 101 2HH1 ARG 10 2HH1 ARG 10 -0.520 -5.619 -6.636 102 1HH2 ARG 10 1HH2 ARG 10 -1.673 -4.459 -3.579 103 2HH2 ARG 10 2HH2 ARG 10 -1.873 -4.399 -5.298 104 H ARG 11 H ARG 11 3.406 -1.370 -0.263 105 HA ARG 11 HA ARG 11 6.325 -1.026 -0.802 106 1HB ARG 11 2HB ARG 11 4.511 1.126 0.235 107 2HB ARG 11 1HB ARG 11 5.871 1.266 -0.876 108 1HG ARG 11 2HG ARG 11 3.977 -0.351 -2.159 109 2HG ARG 11 1HG ARG 11 3.079 0.971 -1.453 110 1HD ARG 11 2HD ARG 11 5.525 1.276 -3.218 111 2HD ARG 11 1HD ARG 11 3.853 1.601 -3.700 112 HE ARG 11 HE ARG 11 5.045 3.010 -1.372 113 1HH1 ARG 11 1HH2 ARG 11 2.267 3.669 -2.100 114 2HH1 ARG 11 2HH2 ARG 11 2.450 5.047 -3.134 115 1HH2 ARG 11 1HH1 ARG 11 5.823 4.490 -3.715 116 2HH2 ARG 11 2HH1 ARG 11 4.466 5.512 -4.049 117 H MET 12 H MET 12 3.774 -0.449 1.574 118 HA MET 12 HA MET 12 5.759 -0.338 3.761 119 1HB MET 12 2HB MET 12 3.591 -0.150 5.137 120 2HB MET 12 1HB MET 12 3.974 1.172 4.042 121 1HG MET 12 2HG MET 12 2.373 0.513 2.506 122 2HG MET 12 1HG MET 12 2.311 -1.130 3.131 123 1HE MET 12 1HE MET 12 0.085 -0.995 2.759 124 2HE MET 12 2HE MET 12 -0.845 0.483 2.992 125 3HE MET 12 3HE MET 12 -1.013 -0.845 4.138 126 H LYS 13 H LYS 13 3.317 -2.541 2.514 127 HA LYS 13 HA LYS 13 3.627 -4.520 4.621 128 1HB LYS 13 2HB LYS 13 2.711 -4.958 1.786 129 2HB LYS 13 1HB LYS 13 2.182 -5.808 3.233 130 1HG LYS 13 2HG LYS 13 1.450 -3.051 2.281 131 2HG LYS 13 1HG LYS 13 0.406 -4.369 2.768 132 1HD LYS 13 2HD LYS 13 2.222 -3.238 4.847 133 2HD LYS 13 1HD LYS 13 0.832 -2.271 4.349 134 1HE LYS 13 2HE LYS 13 -0.136 -3.552 6.044 135 2HE LYS 13 1HE LYS 13 -0.436 -4.610 4.651 136 1HZ LYS 13 1HZ LYS 13 2.057 -4.730 6.252 137 2HZ LYS 13 2HZ LYS 13 1.498 -5.854 5.107 138 3HZ LYS 13 3HZ LYS 13 0.705 -5.692 6.601 139 H PHE 14 H PHE 14 5.404 -3.455 1.954 140 HA PHE 14 HA PHE 14 6.789 -5.901 1.231 141 1HB PHE 14 2HB PHE 14 6.334 -3.313 0.269 142 2HB PHE 14 1HB PHE 14 8.057 -3.332 0.634 143 HD1 PHE 14 1HD PHE 14 9.454 -3.983 -1.110 144 HD2 PHE 14 2HD PHE 14 5.516 -5.677 -0.843 145 HE1 PHE 14 1HE PHE 14 9.878 -5.292 -3.174 146 HE2 PHE 14 2HE PHE 14 5.940 -6.987 -2.906 147 HZ PHE 14 HZ PHE 14 8.120 -6.794 -4.071 148 H LYS 15 H LYS 15 6.988 -3.554 3.741 149 HA LYS 15 HA LYS 15 9.554 -4.761 4.661 150 1HB LYS 15 2HB LYS 15 10.185 -2.363 5.331 151 2HB LYS 15 1HB LYS 15 10.251 -2.733 3.610 152 1HG LYS 15 2HG LYS 15 7.608 -1.902 4.073 153 2HG LYS 15 1HG LYS 15 8.601 -0.803 5.022 154 1HD LYS 15 2HD LYS 15 8.987 -1.441 2.086 155 2HD LYS 15 1HD LYS 15 8.301 0.050 2.733 156 1HE LYS 15 2HE LYS 15 11.093 -0.924 3.427 157 2HE LYS 15 1HE LYS 15 10.752 0.248 2.139 158 1HZ LYS 15 1HZ LYS 15 9.455 1.522 3.837 159 2HZ LYS 15 2HZ LYS 15 11.133 1.492 4.106 160 3HZ LYS 15 3HZ LYS 15 10.104 0.500 5.024 161 H LYS 16 H LYS 16 6.431 -4.332 5.287 162 HA LYS 16 HA LYS 16 6.113 -3.145 7.764 163 1HB LYS 16 2HB LYS 16 4.108 -4.604 7.860 164 2HB LYS 16 1HB LYS 16 4.348 -3.878 6.268 165 1HG LYS 16 2HG LYS 16 3.815 -6.204 5.925 166 2HG LYS 16 1HG LYS 16 5.530 -5.993 5.568 167 1HD LYS 16 2HD LYS 16 6.174 -7.285 7.300 168 2HD LYS 16 1HD LYS 16 4.978 -6.579 8.387 169 1HE LYS 16 2HE LYS 16 3.870 -8.567 8.205 170 2HE LYS 16 1HE LYS 16 3.440 -8.047 6.563 171 1HZ LYS 16 1HZ LYS 16 5.809 -9.623 7.403 172 2HZ LYS 16 2HZ LYS 16 5.691 -8.883 5.878 173 3HZ LYS 16 3HZ LYS 16 4.584 -10.090 6.328 Start of MODEL 37 1 1H ARG 1 1HT ARG 1 -5.018 8.972 1.003 2 2H ARG 1 2HT ARG 1 -5.844 8.472 -0.395 3 3H ARG 1 3HT ARG 1 -4.648 7.480 0.289 4 HA ARG 1 HA ARG 1 -6.123 7.477 2.375 5 1HB ARG 1 2HB ARG 1 -8.421 8.063 1.963 6 2HB ARG 1 1HB ARG 1 -7.434 9.395 1.359 7 1HG ARG 1 2HG ARG 1 -7.557 7.883 -0.881 8 2HG ARG 1 1HG ARG 1 -9.090 7.429 -0.139 9 1HD ARG 1 2HD ARG 1 -8.356 10.342 -0.258 10 2HD ARG 1 1HD ARG 1 -9.001 9.548 -1.709 11 HE ARG 1 HE ARG 1 -10.553 8.855 0.634 12 1HH1 ARG 1 1HH1 ARG 1 -11.210 9.799 -2.325 13 2HH1 ARG 1 2HH1 ARG 1 -12.236 11.144 -1.954 14 1HH2 ARG 1 1HH2 ARG 1 -11.341 11.247 1.394 15 2HH2 ARG 1 2HH2 ARG 1 -12.310 11.964 0.150 16 H GLN 2 H GLN 2 -6.112 6.490 -0.984 17 HA GLN 2 HA GLN 2 -6.638 3.704 -0.157 18 1HB GLN 2 2HB GLN 2 -8.226 5.426 -2.015 19 2HB GLN 2 1HB GLN 2 -8.187 3.674 -2.160 20 1HG GLN 2 2HG GLN 2 -8.729 3.664 0.370 21 2HG GLN 2 1HG GLN 2 -9.237 5.331 0.108 22 1HE2 GLN 2 1HE2 GLN 2 -10.546 2.332 0.325 23 2HE2 GLN 2 2HE2 GLN 2 -11.841 2.485 -0.762 24 H ILE 3 H ILE 3 -6.224 5.718 -3.105 25 HA ILE 3 HA ILE 3 -5.128 3.858 -4.779 26 HB ILE 3 HB ILE 3 -4.157 5.722 -5.957 27 1HG1 ILE 3 2HG1 ILE 3 -2.995 6.676 -3.995 28 2HG1 ILE 3 1HG1 ILE 3 -3.828 7.881 -4.945 29 1HG2 ILE 3 1HG2 ILE 3 -6.214 6.442 -6.465 30 2HG2 ILE 3 2HG2 ILE 3 -6.293 7.367 -4.965 31 3HG2 ILE 3 3HG2 ILE 3 -6.823 5.685 -4.993 32 1HD1 ILE 3 1HD1 ILE 3 -4.324 8.434 -2.695 33 2HD1 ILE 3 2HD1 ILE 3 -4.637 6.756 -2.270 34 3HD1 ILE 3 3HD1 ILE 3 -5.769 7.628 -3.298 35 H LYS 4 H LYS 4 -3.438 5.666 -2.232 36 HA LYS 4 HA LYS 4 -0.871 4.448 -2.694 37 1HB LYS 4 2HB LYS 4 -2.240 6.079 -0.583 38 2HB LYS 4 1HB LYS 4 -0.743 5.256 -0.145 39 1HG LYS 4 2HG LYS 4 -0.122 7.422 -0.922 40 2HG LYS 4 1HG LYS 4 0.280 6.295 -2.220 41 1HD LYS 4 2HD LYS 4 -1.532 6.927 -3.509 42 2HD LYS 4 1HD LYS 4 -2.408 7.580 -2.132 43 1HE LYS 4 2HE LYS 4 -1.589 9.466 -3.447 44 2HE LYS 4 1HE LYS 4 -0.610 9.380 -1.968 45 1HZ LYS 4 1HZ LYS 4 1.061 8.147 -3.119 46 2HZ LYS 4 2HZ LYS 4 0.733 9.539 -4.035 47 3HZ LYS 4 3HZ LYS 4 0.109 8.034 -4.517 48 H ILE 5 H ILE 5 -3.614 3.889 -0.570 49 HA ILE 5 HA ILE 5 -2.645 1.779 1.037 50 HB ILE 5 HB ILE 5 -5.377 2.152 -0.266 51 1HG1 ILE 5 2HG1 ILE 5 -5.127 4.200 0.773 52 2HG1 ILE 5 1HG1 ILE 5 -5.657 3.270 2.165 53 1HG2 ILE 5 1HG2 ILE 5 -5.909 1.227 2.203 54 2HG2 ILE 5 2HG2 ILE 5 -4.320 0.492 1.989 55 3HG2 ILE 5 3HG2 ILE 5 -5.615 0.141 0.845 56 1HD1 ILE 5 1HD1 ILE 5 -3.746 4.423 2.940 57 2HD1 ILE 5 2HD1 ILE 5 -2.871 4.160 1.433 58 3HD1 ILE 5 3HD1 ILE 5 -3.128 2.819 2.549 59 H PHE 6 H PHE 6 -3.605 1.924 -2.291 60 HA PHE 6 HA PHE 6 -3.684 -0.983 -2.719 61 1HB PHE 6 2HB PHE 6 -4.517 1.309 -4.053 62 2HB PHE 6 1HB PHE 6 -3.138 0.783 -5.018 63 HD1 PHE 6 1HD PHE 6 -5.923 -0.924 -3.159 64 HD2 PHE 6 2HD PHE 6 -3.729 -0.544 -6.833 65 HE1 PHE 6 1HE PHE 6 -7.314 -2.709 -4.174 66 HE2 PHE 6 2HE PHE 6 -5.120 -2.330 -7.847 67 HZ PHE 6 HZ PHE 6 -6.912 -3.412 -6.518 68 H PHE 7 H PHE 7 -1.362 1.644 -2.996 69 HA PHE 7 HA PHE 7 0.777 -0.122 -4.041 70 1HB PHE 7 2HB PHE 7 0.063 2.611 -4.182 71 2HB PHE 7 1HB PHE 7 1.514 2.566 -3.180 72 HD1 PHE 7 1HD PHE 7 3.254 0.615 -4.147 73 HD2 PHE 7 2HD PHE 7 0.510 3.002 -6.432 74 HE1 PHE 7 1HE PHE 7 4.649 0.281 -6.170 75 HE2 PHE 7 2HE PHE 7 1.905 2.669 -8.455 76 HZ PHE 7 HZ PHE 7 3.975 1.308 -8.324 77 H GLN 8 H GLN 8 0.063 1.883 -1.181 78 HA GLN 8 HA GLN 8 2.310 1.330 0.410 79 1HB GLN 8 2HB GLN 8 -0.622 1.671 1.095 80 2HB GLN 8 1HB GLN 8 0.674 1.744 2.278 81 1HG GLN 8 2HG GLN 8 1.733 3.512 0.717 82 2HG GLN 8 1HG GLN 8 0.119 3.663 0.017 83 1HE2 GLN 8 1HE2 GLN 8 1.180 5.879 1.376 84 2HE2 GLN 8 2HE2 GLN 8 0.365 6.094 2.849 85 H ASN 9 H ASN 9 -0.580 -0.571 -0.224 86 HA ASN 9 HA ASN 9 -0.196 -2.663 1.675 87 1HB ASN 9 2HB ASN 9 -2.232 -2.221 0.287 88 2HB ASN 9 1HB ASN 9 -1.328 -2.744 -1.137 89 1HD2 ASN 9 1HD2 ASN 9 -1.747 -4.061 2.209 90 2HD2 ASN 9 2HD2 ASN 9 -2.114 -5.636 1.694 91 H ARG 10 H ARG 10 1.671 -1.697 -0.983 92 HA ARG 10 HA ARG 10 3.046 -4.347 -1.096 93 1HB ARG 10 2HB ARG 10 2.680 -2.403 -3.372 94 2HB ARG 10 1HB ARG 10 3.221 -4.079 -3.463 95 1HG ARG 10 2HG ARG 10 0.489 -3.255 -2.453 96 2HG ARG 10 1HG ARG 10 0.825 -3.723 -4.105 97 1HD ARG 10 2HD ARG 10 1.953 -5.707 -2.357 98 2HD ARG 10 1HD ARG 10 0.257 -5.458 -1.938 99 HE ARG 10 HE ARG 10 -0.143 -6.670 -3.893 100 1HH1 ARG 10 1HH1 ARG 10 3.064 -6.116 -4.198 101 2HH1 ARG 10 2HH1 ARG 10 3.074 -5.832 -5.906 102 1HH2 ARG 10 1HH2 ARG 10 -0.379 -5.642 -6.162 103 2HH2 ARG 10 2HH2 ARG 10 1.124 -5.564 -7.018 104 H ARG 11 H ARG 11 3.407 -1.197 -0.095 105 HA ARG 11 HA ARG 11 6.250 -1.078 -0.993 106 1HB ARG 11 2HB ARG 11 5.880 1.174 -1.382 107 2HB ARG 11 1HB ARG 11 4.223 0.623 -1.557 108 1HG ARG 11 2HG ARG 11 3.759 2.191 -0.044 109 2HG ARG 11 1HG ARG 11 4.385 1.050 1.128 110 1HD ARG 11 2HD ARG 11 5.870 3.324 -0.219 111 2HD ARG 11 1HD ARG 11 5.523 3.137 1.498 112 HE ARG 11 HE ARG 11 7.190 1.121 0.096 113 1HH1 ARG 11 1HH1 ARG 11 6.463 1.445 3.141 114 2HH1 ARG 11 2HH1 ARG 11 8.002 1.960 3.743 115 1HH2 ARG 11 1HH2 ARG 11 9.290 2.668 0.604 116 2HH2 ARG 11 2HH2 ARG 11 9.602 2.655 2.307 117 H MET 12 H MET 12 3.975 -0.659 1.637 118 HA MET 12 HA MET 12 6.245 -0.463 3.573 119 1HB MET 12 2HB MET 12 4.126 -0.028 5.116 120 2HB MET 12 1HB MET 12 4.778 1.256 4.104 121 1HG MET 12 2HG MET 12 3.066 1.107 2.583 122 2HG MET 12 1HG MET 12 2.740 -0.574 2.970 123 1HE MET 12 1HE MET 12 1.866 2.953 5.763 124 2HE MET 12 2HE MET 12 2.072 3.213 4.033 125 3HE MET 12 3HE MET 12 3.392 2.526 4.977 126 H LYS 13 H LYS 13 3.441 -2.357 2.621 127 HA LYS 13 HA LYS 13 3.679 -4.316 4.759 128 1HB LYS 13 2HB LYS 13 2.484 -4.708 2.027 129 2HB LYS 13 1HB LYS 13 1.967 -5.430 3.546 130 1HG LYS 13 2HG LYS 13 1.497 -2.655 2.506 131 2HG LYS 13 1HG LYS 13 0.354 -3.805 3.162 132 1HD LYS 13 2HD LYS 13 2.479 -2.738 4.980 133 2HD LYS 13 1HD LYS 13 1.109 -1.702 4.570 134 1HE LYS 13 2HE LYS 13 0.169 -2.788 6.379 135 2HE LYS 13 1HE LYS 13 -0.209 -4.010 5.148 136 1HZ LYS 13 1HZ LYS 13 1.795 -5.168 5.635 137 2HZ LYS 13 2HZ LYS 13 1.012 -4.894 7.117 138 3HZ LYS 13 3HZ LYS 13 2.342 -3.937 6.666 139 H PHE 14 H PHE 14 5.302 -3.496 1.910 140 HA PHE 14 HA PHE 14 6.328 -6.070 1.078 141 1HB PHE 14 2HB PHE 14 6.151 -3.402 0.186 142 2HB PHE 14 1HB PHE 14 7.875 -3.687 0.394 143 HD1 PHE 14 1HD PHE 14 9.021 -4.549 -1.441 144 HD2 PHE 14 2HD PHE 14 4.876 -5.543 -0.905 145 HE1 PHE 14 1HE PHE 14 9.062 -5.857 -3.548 146 HE2 PHE 14 2HE PHE 14 4.918 -6.851 -3.011 147 HZ PHE 14 HZ PHE 14 7.011 -7.009 -4.333 148 H LYS 15 H LYS 15 7.023 -3.798 3.578 149 HA LYS 15 HA LYS 15 9.468 -5.339 4.292 150 1HB LYS 15 2HB LYS 15 10.475 -3.061 4.882 151 2HB LYS 15 1HB LYS 15 10.315 -3.404 3.163 152 1HG LYS 15 2HG LYS 15 7.867 -2.245 3.886 153 2HG LYS 15 1HG LYS 15 9.077 -1.309 4.758 154 1HD LYS 15 2HD LYS 15 9.011 -1.866 1.782 155 2HD LYS 15 1HD LYS 15 8.756 -0.309 2.574 156 1HE LYS 15 2HE LYS 15 11.236 -1.187 3.560 157 2HE LYS 15 1HE LYS 15 11.269 -1.574 1.830 158 1HZ LYS 15 1HZ LYS 15 11.931 0.715 2.172 159 2HZ LYS 15 2HZ LYS 15 10.497 1.036 3.025 160 3HZ LYS 15 3HZ LYS 15 10.438 0.664 1.368 161 H LYS 16 H LYS 16 6.489 -4.511 5.177 162 HA LYS 16 HA LYS 16 6.572 -3.297 7.669 163 1HB LYS 16 2HB LYS 16 4.377 -4.416 7.940 164 2HB LYS 16 1HB LYS 16 4.592 -3.732 6.326 165 1HG LYS 16 2HG LYS 16 3.675 -5.937 6.040 166 2HG LYS 16 1HG LYS 16 5.370 -6.010 5.559 167 1HD LYS 16 2HD LYS 16 5.906 -7.413 7.233 168 2HD LYS 16 1HD LYS 16 4.966 -6.500 8.414 169 1HE LYS 16 2HE LYS 16 3.125 -7.844 8.162 170 2HE LYS 16 1HE LYS 16 3.355 -7.983 6.408 171 1HZ LYS 16 1HZ LYS 16 5.038 -9.309 8.469 172 2HZ LYS 16 2HZ LYS 16 5.228 -9.447 6.787 173 3HZ LYS 16 3HZ LYS 16 3.845 -10.081 7.542 Start of MODEL 38 1 1H ARG 1 1HT ARG 1 -6.002 6.316 3.480 2 2H ARG 1 2HT ARG 1 -7.349 7.341 3.623 3 3H ARG 1 3HT ARG 1 -5.783 7.996 3.565 4 HA ARG 1 HA ARG 1 -7.312 7.969 1.437 5 1HB ARG 1 2HB ARG 1 -5.168 8.018 0.182 6 2HB ARG 1 1HB ARG 1 -5.042 8.899 1.705 7 1HG ARG 1 2HG ARG 1 -4.272 6.496 2.591 8 2HG ARG 1 1HG ARG 1 -3.796 6.310 0.902 9 1HD ARG 1 2HD ARG 1 -2.963 8.601 2.718 10 2HD ARG 1 1HD ARG 1 -1.926 7.258 2.201 11 HE ARG 1 HE ARG 1 -2.573 8.077 -0.199 12 1HH1 ARG 1 1HH1 ARG 1 -3.822 10.429 1.608 13 2HH1 ARG 1 2HH1 ARG 1 -2.715 11.687 1.173 14 1HH2 ARG 1 1HH2 ARG 1 -0.450 9.541 -0.336 15 2HH2 ARG 1 2HH2 ARG 1 -0.808 11.186 0.074 16 H GLN 2 H GLN 2 -6.134 6.515 -0.682 17 HA GLN 2 HA GLN 2 -6.582 3.654 -0.058 18 1HB GLN 2 2HB GLN 2 -8.185 5.475 -1.795 19 2HB GLN 2 1HB GLN 2 -8.051 3.758 -2.146 20 1HG GLN 2 2HG GLN 2 -8.748 3.311 0.249 21 2HG GLN 2 1HG GLN 2 -9.140 5.027 0.364 22 1HE2 GLN 2 1HE2 GLN 2 -10.338 5.568 -2.083 23 2HE2 GLN 2 2HE2 GLN 2 -11.727 4.613 -2.284 24 H ILE 3 H ILE 3 -6.264 5.784 -2.920 25 HA ILE 3 HA ILE 3 -5.087 4.187 -4.730 26 HB ILE 3 HB ILE 3 -3.566 6.276 -5.188 27 1HG1 ILE 3 2HG1 ILE 3 -5.637 7.760 -3.731 28 2HG1 ILE 3 1HG1 ILE 3 -4.466 6.960 -2.696 29 1HG2 ILE 3 1HG2 ILE 3 -6.588 6.415 -5.287 30 2HG2 ILE 3 2HG2 ILE 3 -5.579 5.572 -6.463 31 3HG2 ILE 3 3HG2 ILE 3 -5.468 7.324 -6.302 32 1HD1 ILE 3 1HD1 ILE 3 -2.765 7.984 -4.493 33 2HD1 ILE 3 2HD1 ILE 3 -3.288 8.892 -3.074 34 3HD1 ILE 3 3HD1 ILE 3 -4.056 9.178 -4.635 35 H LYS 4 H LYS 4 -3.281 5.758 -2.106 36 HA LYS 4 HA LYS 4 -0.805 4.426 -2.716 37 1HB LYS 4 2HB LYS 4 -1.988 6.058 -0.496 38 2HB LYS 4 1HB LYS 4 -0.489 5.187 -0.179 39 1HG LYS 4 2HG LYS 4 0.083 7.387 -0.975 40 2HG LYS 4 1HG LYS 4 0.462 6.229 -2.253 41 1HD LYS 4 2HD LYS 4 -1.441 6.802 -3.498 42 2HD LYS 4 1HD LYS 4 -2.204 7.584 -2.117 43 1HE LYS 4 2HE LYS 4 -1.433 9.453 -3.315 44 2HE LYS 4 1HE LYS 4 -0.051 9.153 -2.242 45 1HZ LYS 4 1HZ LYS 4 0.521 9.318 -4.661 46 2HZ LYS 4 2HZ LYS 4 -0.352 7.880 -4.905 47 3HZ LYS 4 3HZ LYS 4 1.023 7.883 -3.909 48 H ILE 5 H ILE 5 -3.503 3.888 -0.549 49 HA ILE 5 HA ILE 5 -2.558 1.702 0.980 50 HB ILE 5 HB ILE 5 -5.312 2.174 -0.237 51 1HG1 ILE 5 2HG1 ILE 5 -4.965 4.213 0.803 52 2HG1 ILE 5 1HG1 ILE 5 -5.511 3.290 2.195 53 1HG2 ILE 5 1HG2 ILE 5 -6.163 0.940 1.636 54 2HG2 ILE 5 2HG2 ILE 5 -4.598 0.957 2.450 55 3HG2 ILE 5 3HG2 ILE 5 -4.827 -0.016 0.996 56 1HD1 ILE 5 1HD1 ILE 5 -2.977 2.734 2.508 57 2HD1 ILE 5 2HD1 ILE 5 -3.550 4.334 2.980 58 3HD1 ILE 5 3HD1 ILE 5 -2.714 4.116 1.444 59 H PHE 6 H PHE 6 -3.620 1.985 -2.325 60 HA PHE 6 HA PHE 6 -3.832 -0.897 -2.833 61 1HB PHE 6 2HB PHE 6 -4.925 0.984 -4.145 62 2HB PHE 6 1HB PHE 6 -3.326 1.404 -4.759 63 HD1 PHE 6 1HD PHE 6 -2.826 0.580 -6.869 64 HD2 PHE 6 2HD PHE 6 -5.348 -1.730 -4.268 65 HE1 PHE 6 1HE PHE 6 -3.033 -1.163 -8.619 66 HE2 PHE 6 2HE PHE 6 -5.555 -3.474 -6.020 67 HZ PHE 6 HZ PHE 6 -4.398 -3.192 -8.195 68 H PHE 7 H PHE 7 -1.366 1.594 -3.024 69 HA PHE 7 HA PHE 7 0.680 -0.283 -4.078 70 1HB PHE 7 2HB PHE 7 0.142 2.571 -3.997 71 2HB PHE 7 1HB PHE 7 1.744 2.245 -3.335 72 HD1 PHE 7 1HD PHE 7 0.328 3.255 -6.219 73 HD2 PHE 7 2HD PHE 7 2.774 0.014 -4.818 74 HE1 PHE 7 1HE PHE 7 1.201 2.922 -8.516 75 HE2 PHE 7 2HE PHE 7 3.647 -0.319 -7.115 76 HZ PHE 7 HZ PHE 7 2.861 1.134 -8.964 77 H GLN 8 H GLN 8 0.258 1.895 -1.255 78 HA GLN 8 HA GLN 8 2.394 1.171 0.349 79 1HB GLN 8 2HB GLN 8 -0.536 1.584 1.042 80 2HB GLN 8 1HB GLN 8 0.766 1.611 2.220 81 1HG GLN 8 2HG GLN 8 1.860 3.367 0.659 82 2HG GLN 8 1HG GLN 8 0.237 3.568 -0.006 83 1HE2 GLN 8 1HE2 GLN 8 2.227 4.021 2.894 84 2HE2 GLN 8 2HE2 GLN 8 1.093 4.958 3.740 85 H ASN 9 H ASN 9 -0.532 -0.659 -0.356 86 HA ASN 9 HA ASN 9 -0.241 -2.808 1.509 87 1HB ASN 9 2HB ASN 9 -2.228 -2.245 0.071 88 2HB ASN 9 1HB ASN 9 -1.319 -2.824 -1.327 89 1HD2 ASN 9 1HD2 ASN 9 -3.050 -4.521 -1.546 90 2HD2 ASN 9 2HD2 ASN 9 -2.988 -5.899 -0.557 91 H ARG 10 H ARG 10 1.701 -1.821 -1.079 92 HA ARG 10 HA ARG 10 3.040 -4.475 -1.229 93 1HB ARG 10 2HB ARG 10 3.235 -2.791 -3.620 94 2HB ARG 10 1HB ARG 10 2.787 -4.491 -3.490 95 1HG ARG 10 2HG ARG 10 0.534 -3.566 -2.556 96 2HG ARG 10 1HG ARG 10 1.056 -2.057 -3.267 97 1HD ARG 10 2HD ARG 10 -0.309 -3.270 -4.907 98 2HD ARG 10 1HD ARG 10 1.367 -3.255 -5.464 99 HE ARG 10 HE ARG 10 1.057 -5.586 -5.415 100 1HH1 ARG 10 1HH1 ARG 10 -1.604 -5.018 -3.790 101 2HH1 ARG 10 2HH1 ARG 10 -1.345 -6.103 -2.464 102 1HH2 ARG 10 1HH2 ARG 10 2.010 -6.605 -3.183 103 2HH2 ARG 10 2HH2 ARG 10 0.701 -7.001 -2.122 104 H ARG 11 H ARG 11 3.367 -1.337 -0.235 105 HA ARG 11 HA ARG 11 6.261 -1.168 -0.986 106 1HB ARG 11 2HB ARG 11 4.677 1.126 0.116 107 2HB ARG 11 1HB ARG 11 5.953 1.144 -1.098 108 1HG ARG 11 2HG ARG 11 3.884 -0.352 -2.213 109 2HG ARG 11 1HG ARG 11 3.104 1.007 -1.436 110 1HD ARG 11 2HD ARG 11 5.409 1.204 -3.398 111 2HD ARG 11 1HD ARG 11 3.720 1.614 -3.737 112 HE ARG 11 HE ARG 11 5.185 2.952 -1.523 113 1HH1 ARG 11 1HH2 ARG 11 5.545 4.102 -4.308 114 2HH1 ARG 11 2HH2 ARG 11 4.311 5.316 -4.340 115 1HH2 ARG 11 1HH1 ARG 11 2.622 4.045 -1.591 116 2HH2 ARG 11 2HH1 ARG 11 2.654 5.284 -2.802 117 H MET 12 H MET 12 3.914 -0.362 1.526 118 HA MET 12 HA MET 12 6.045 -0.351 3.575 119 1HB MET 12 2HB MET 12 4.011 0.078 5.079 120 2HB MET 12 1HB MET 12 4.412 1.319 3.900 121 1HG MET 12 2HG MET 12 2.660 0.724 2.505 122 2HG MET 12 1HG MET 12 2.508 -0.875 3.221 123 1HE MET 12 1HE MET 12 2.514 -1.045 5.666 124 2HE MET 12 2HE MET 12 0.930 -0.716 6.363 125 3HE MET 12 3HE MET 12 2.294 0.325 6.763 126 H LYS 13 H LYS 13 3.336 -2.370 2.572 127 HA LYS 13 HA LYS 13 3.605 -4.303 4.718 128 1HB LYS 13 2HB LYS 13 2.550 -4.762 1.934 129 2HB LYS 13 1HB LYS 13 2.032 -5.544 3.423 130 1HG LYS 13 2HG LYS 13 1.418 -2.781 2.422 131 2HG LYS 13 1HG LYS 13 0.325 -4.019 2.996 132 1HD LYS 13 2HD LYS 13 2.305 -2.833 4.908 133 2HD LYS 13 1HD LYS 13 0.839 -1.939 4.502 134 1HE LYS 13 2HE LYS 13 0.012 -3.185 6.273 135 2HE LYS 13 1HE LYS 13 -0.249 -4.373 4.981 136 1HZ LYS 13 1HZ LYS 13 1.816 -5.398 5.437 137 2HZ LYS 13 2HZ LYS 13 1.055 -5.206 6.943 138 3HZ LYS 13 3HZ LYS 13 2.302 -4.150 6.477 139 H PHE 14 H PHE 14 5.321 -3.466 1.923 140 HA PHE 14 HA PHE 14 6.499 -6.022 1.230 141 1HB PHE 14 2HB PHE 14 6.202 -3.413 0.220 142 2HB PHE 14 1HB PHE 14 7.934 -3.600 0.469 143 HD1 PHE 14 1HD PHE 14 5.030 -5.594 -0.834 144 HD2 PHE 14 2HD PHE 14 9.175 -4.551 -1.265 145 HE1 PHE 14 1HE PHE 14 5.170 -6.993 -2.875 146 HE2 PHE 14 2HE PHE 14 9.314 -5.951 -3.307 147 HZ PHE 14 HZ PHE 14 7.312 -7.173 -4.111 148 H LYS 15 H LYS 15 6.983 -3.639 3.659 149 HA LYS 15 HA LYS 15 9.500 -4.998 4.488 150 1HB LYS 15 2HB LYS 15 10.355 -2.646 5.027 151 2HB LYS 15 1HB LYS 15 10.259 -3.049 3.315 152 1HG LYS 15 2HG LYS 15 7.727 -2.022 3.943 153 2HG LYS 15 1HG LYS 15 8.855 -0.986 4.811 154 1HD LYS 15 2HD LYS 15 9.020 -1.684 1.867 155 2HD LYS 15 1HD LYS 15 8.451 -0.148 2.525 156 1HE LYS 15 2HE LYS 15 10.917 -0.488 3.775 157 2HE LYS 15 1HE LYS 15 11.202 -1.065 2.120 158 1HZ LYS 15 1HZ LYS 15 9.974 0.950 1.350 159 2HZ LYS 15 2HZ LYS 15 11.466 1.284 2.091 160 3HZ LYS 15 3HZ LYS 15 10.017 1.530 2.943 161 H LYS 16 H LYS 16 6.454 -4.348 5.257 162 HA LYS 16 HA LYS 16 6.393 -3.060 7.720 163 1HB LYS 16 2HB LYS 16 4.243 -4.275 7.940 164 2HB LYS 16 1HB LYS 16 4.480 -3.613 6.321 165 1HG LYS 16 2HG LYS 16 3.680 -5.860 6.042 166 2HG LYS 16 1HG LYS 16 5.395 -5.872 5.636 167 1HD LYS 16 2HD LYS 16 5.908 -7.227 7.354 168 2HD LYS 16 1HD LYS 16 4.903 -6.314 8.482 169 1HE LYS 16 2HE LYS 16 2.951 -7.541 7.921 170 2HE LYS 16 1HE LYS 16 3.666 -8.150 6.415 171 1HZ LYS 16 1HZ LYS 16 3.757 -9.821 8.179 172 2HZ LYS 16 2HZ LYS 16 4.652 -8.755 9.154 173 3HZ LYS 16 3HZ LYS 16 5.314 -9.345 7.705 Start of MODEL 39 1 1H ARG 1 1HT ARG 1 -4.119 8.795 -0.306 2 2H ARG 1 2HT ARG 1 -5.029 10.229 -0.261 3 3H ARG 1 3HT ARG 1 -5.575 8.902 -1.166 4 HA ARG 1 HA ARG 1 -5.285 8.939 1.793 5 1HB ARG 1 2HB ARG 1 -7.750 9.106 1.736 6 2HB ARG 1 1HB ARG 1 -7.006 10.474 0.905 7 1HG ARG 1 2HG ARG 1 -7.387 9.393 -1.265 8 2HG ARG 1 1HG ARG 1 -8.072 7.982 -0.459 9 1HD ARG 1 2HD ARG 1 -9.199 10.800 -0.264 10 2HD ARG 1 1HD ARG 1 -9.864 9.500 -1.274 11 HE ARG 1 HE ARG 1 -9.724 9.406 1.713 12 1HH1 ARG 1 1HH2 ARG 1 -11.849 9.361 -0.822 13 2HH1 ARG 1 2HH2 ARG 1 -12.652 7.890 -0.384 14 1HH2 ARG 1 1HH1 ARG 1 -10.351 7.055 2.073 15 2HH2 ARG 1 2HH1 ARG 1 -11.803 6.585 1.255 16 H GLN 2 H GLN 2 -6.241 7.205 -1.151 17 HA GLN 2 HA GLN 2 -6.108 4.670 0.390 18 1HB GLN 2 2HB GLN 2 -8.212 5.690 -1.509 19 2HB GLN 2 1HB GLN 2 -8.042 3.997 -1.071 20 1HG GLN 2 2HG GLN 2 -8.111 4.800 1.370 21 2HG GLN 2 1HG GLN 2 -8.737 6.313 0.716 22 1HE2 GLN 2 1HE2 GLN 2 -10.110 4.118 2.363 23 2HE2 GLN 2 2HE2 GLN 2 -11.484 3.710 1.454 24 H ILE 3 H ILE 3 -6.167 6.136 -2.872 25 HA ILE 3 HA ILE 3 -5.445 4.115 -4.510 26 HB ILE 3 HB ILE 3 -3.738 5.890 -5.444 27 1HG1 ILE 3 2HG1 ILE 3 -5.429 7.843 -4.062 28 2HG1 ILE 3 1HG1 ILE 3 -4.285 7.030 -3.006 29 1HG2 ILE 3 1HG2 ILE 3 -5.505 6.778 -6.703 30 2HG2 ILE 3 2HG2 ILE 3 -6.624 6.721 -5.340 31 3HG2 ILE 3 3HG2 ILE 3 -6.157 5.231 -6.160 32 1HD1 ILE 3 1HD1 ILE 3 -3.732 8.762 -5.388 33 2HD1 ILE 3 2HD1 ILE 3 -2.567 7.529 -4.909 34 3HD1 ILE 3 3HD1 ILE 3 -3.008 8.811 -3.781 35 H LYS 4 H LYS 4 -3.299 5.700 -2.204 36 HA LYS 4 HA LYS 4 -0.936 4.201 -2.840 37 1HB LYS 4 2HB LYS 4 -1.980 5.908 -0.605 38 2HB LYS 4 1HB LYS 4 -0.513 4.977 -0.323 39 1HG LYS 4 2HG LYS 4 0.091 7.172 -1.158 40 2HG LYS 4 1HG LYS 4 0.454 5.966 -2.396 41 1HD LYS 4 2HD LYS 4 -1.419 6.540 -3.678 42 2HD LYS 4 1HD LYS 4 -2.194 7.362 -2.326 43 1HE LYS 4 2HE LYS 4 0.457 8.408 -3.262 44 2HE LYS 4 1HE LYS 4 -0.985 8.783 -4.227 45 1HZ LYS 4 1HZ LYS 4 -2.091 9.438 -2.122 46 2HZ LYS 4 2HZ LYS 4 -0.784 10.441 -2.536 47 3HZ LYS 4 3HZ LYS 4 -0.607 9.267 -1.321 48 H ILE 5 H ILE 5 -3.645 3.705 -0.648 49 HA ILE 5 HA ILE 5 -2.733 1.596 0.947 50 HB ILE 5 HB ILE 5 -5.354 2.313 -0.363 51 1HG1 ILE 5 2HG1 ILE 5 -5.811 3.401 1.616 52 2HG1 ILE 5 1HG1 ILE 5 -4.888 2.268 2.556 53 1HG2 ILE 5 1HG2 ILE 5 -4.659 -0.085 1.288 54 2HG2 ILE 5 2HG2 ILE 5 -5.829 0.071 -0.023 55 3HG2 ILE 5 3HG2 ILE 5 -6.210 0.704 1.579 56 1HD1 ILE 5 1HD1 ILE 5 -3.735 4.390 2.618 57 2HD1 ILE 5 2HD1 ILE 5 -3.779 4.507 0.864 58 3HD1 ILE 5 3HD1 ILE 5 -2.780 3.281 1.642 59 H PHE 6 H PHE 6 -3.708 1.762 -2.393 60 HA PHE 6 HA PHE 6 -3.768 -1.119 -2.909 61 1HB PHE 6 2HB PHE 6 -4.597 1.143 -4.195 62 2HB PHE 6 1HB PHE 6 -3.103 0.814 -5.074 63 HD1 PHE 6 1HD PHE 6 -5.920 -1.219 -3.636 64 HD2 PHE 6 2HD PHE 6 -3.379 -0.437 -7.010 65 HE1 PHE 6 1HE PHE 6 -7.063 -3.013 -4.912 66 HE2 PHE 6 2HE PHE 6 -4.522 -2.230 -8.286 67 HZ PHE 6 HZ PHE 6 -6.363 -3.518 -7.237 68 H PHE 7 H PHE 7 -1.396 1.486 -3.170 69 HA PHE 7 HA PHE 7 0.744 -0.322 -4.124 70 1HB PHE 7 2HB PHE 7 0.106 2.491 -4.082 71 2HB PHE 7 1HB PHE 7 1.659 2.259 -3.279 72 HD1 PHE 7 1HD PHE 7 2.863 0.009 -4.672 73 HD2 PHE 7 2HD PHE 7 0.524 3.246 -6.257 74 HE1 PHE 7 1HE PHE 7 3.954 -0.283 -6.880 75 HE2 PHE 7 2HE PHE 7 1.615 2.953 -8.464 76 HZ PHE 7 HZ PHE 7 3.330 1.189 -8.776 77 H GLN 8 H GLN 8 0.141 1.763 -1.268 78 HA GLN 8 HA GLN 8 2.269 1.116 0.384 79 1HB GLN 8 2HB GLN 8 -0.696 1.339 0.998 80 2HB GLN 8 1HB GLN 8 0.570 1.418 2.214 81 1HG GLN 8 2HG GLN 8 1.607 3.307 0.882 82 2HG GLN 8 1HG GLN 8 0.123 3.349 -0.073 83 1HE2 GLN 8 1HE2 GLN 8 0.682 5.644 1.356 84 2HE2 GLN 8 2HE2 GLN 8 -0.337 5.775 2.708 85 H ASN 9 H ASN 9 -0.555 -0.842 -0.412 86 HA ASN 9 HA ASN 9 -0.191 -3.018 1.396 87 1HB ASN 9 2HB ASN 9 -2.161 -2.533 -0.086 88 2HB ASN 9 1HB ASN 9 -1.184 -3.020 -1.473 89 1HD2 ASN 9 1HD2 ASN 9 -3.307 -4.599 -1.319 90 2HD2 ASN 9 2HD2 ASN 9 -2.987 -6.086 -0.564 91 H ARG 10 H ARG 10 1.750 -1.871 -1.133 92 HA ARG 10 HA ARG 10 3.253 -4.434 -1.284 93 1HB ARG 10 2HB ARG 10 3.454 -2.626 -3.594 94 2HB ARG 10 1HB ARG 10 3.141 -4.361 -3.560 95 1HG ARG 10 2HG ARG 10 0.779 -3.658 -2.696 96 2HG ARG 10 1HG ARG 10 1.207 -2.087 -3.332 97 1HD ARG 10 2HD ARG 10 -0.011 -3.447 -5.031 98 2HD ARG 10 1HD ARG 10 1.636 -3.086 -5.559 99 HE ARG 10 HE ARG 10 1.689 -5.449 -5.696 100 1HH1 ARG 10 1HH2 ARG 10 -0.779 -5.191 -3.597 101 2HH1 ARG 10 2HH2 ARG 10 -0.242 -6.386 -2.467 102 1HH2 ARG 10 1HH1 ARG 10 2.928 -6.651 -3.847 103 2HH2 ARG 10 2HH1 ARG 10 1.856 -7.214 -2.608 104 H ARG 11 H ARG 11 3.359 -1.298 -0.192 105 HA ARG 11 HA ARG 11 6.280 -0.965 -0.754 106 1HB ARG 11 2HB ARG 11 4.513 1.218 0.290 107 2HB ARG 11 1HB ARG 11 5.855 1.328 -0.845 108 1HG ARG 11 2HG ARG 11 3.935 -0.255 -2.105 109 2HG ARG 11 1HG ARG 11 3.043 1.052 -1.361 110 1HD ARG 11 2HD ARG 11 5.445 1.385 -3.183 111 2HD ARG 11 1HD ARG 11 3.762 1.731 -3.606 112 HE ARG 11 HE ARG 11 5.044 3.090 -1.296 113 1HH1 ARG 11 1HH2 ARG 11 4.758 3.662 -4.526 114 2HH1 ARG 11 2HH2 ARG 11 3.805 5.104 -4.397 115 1HH2 ARG 11 1HH1 ARG 11 3.201 4.718 -1.005 116 2HH2 ARG 11 2HH1 ARG 11 2.924 5.701 -2.404 117 H MET 12 H MET 12 3.726 -0.454 1.630 118 HA MET 12 HA MET 12 5.733 -0.319 3.796 119 1HB MET 12 2HB MET 12 3.566 -0.110 5.186 120 2HB MET 12 1HB MET 12 3.991 1.220 4.116 121 1HG MET 12 2HG MET 12 2.379 0.627 2.560 122 2HG MET 12 1HG MET 12 2.266 -1.021 3.171 123 1HE MET 12 1HE MET 12 1.766 2.673 3.842 124 2HE MET 12 2HE MET 12 2.433 2.236 5.412 125 3HE MET 12 3HE MET 12 0.757 2.766 5.292 126 H LYS 13 H LYS 13 3.339 -2.521 2.511 127 HA LYS 13 HA LYS 13 3.671 -4.471 4.665 128 1HB LYS 13 2HB LYS 13 2.595 -4.961 1.906 129 2HB LYS 13 1HB LYS 13 2.094 -5.715 3.413 130 1HG LYS 13 2HG LYS 13 1.457 -2.965 2.375 131 2HG LYS 13 1HG LYS 13 0.365 -4.226 2.897 132 1HD LYS 13 2HD LYS 13 2.243 -3.162 4.946 133 2HD LYS 13 1HD LYS 13 0.924 -2.109 4.429 134 1HE LYS 13 2HE LYS 13 0.019 -3.349 6.257 135 2HE LYS 13 1HE LYS 13 -0.605 -4.177 4.818 136 1HZ LYS 13 1HZ LYS 13 2.009 -4.938 5.952 137 2HZ LYS 13 2HZ LYS 13 0.949 -5.858 4.994 138 3HZ LYS 13 3HZ LYS 13 0.584 -5.564 6.626 139 H PHE 14 H PHE 14 5.433 -3.399 2.044 140 HA PHE 14 HA PHE 14 6.620 -5.908 1.182 141 1HB PHE 14 2HB PHE 14 6.241 -3.306 0.252 142 2HB PHE 14 1HB PHE 14 7.976 -3.402 0.531 143 HD1 PHE 14 1HD PHE 14 9.175 -3.951 -1.389 144 HD2 PHE 14 2HD PHE 14 5.351 -5.786 -0.713 145 HE1 PHE 14 1HE PHE 14 9.442 -5.272 -3.470 146 HE2 PHE 14 2HE PHE 14 5.618 -7.108 -2.795 147 HZ PHE 14 HZ PHE 14 7.663 -6.850 -4.173 148 H LYS 15 H LYS 15 7.129 -3.572 3.659 149 HA LYS 15 HA LYS 15 9.672 -4.953 4.408 150 1HB LYS 15 2HB LYS 15 10.201 -2.364 5.065 151 2HB LYS 15 1HB LYS 15 10.661 -3.071 3.514 152 1HG LYS 15 2HG LYS 15 9.495 -1.014 3.043 153 2HG LYS 15 1HG LYS 15 8.395 -2.327 2.633 154 1HD LYS 15 2HD LYS 15 6.923 -1.663 4.147 155 2HD LYS 15 1HD LYS 15 8.136 -1.624 5.422 156 1HE LYS 15 2HE LYS 15 7.853 0.593 3.367 157 2HE LYS 15 1HE LYS 15 7.069 0.636 4.959 158 1HZ LYS 15 1HZ LYS 15 9.975 0.356 4.408 159 2HZ LYS 15 2HZ LYS 15 9.277 0.170 5.945 160 3HZ LYS 15 3HZ LYS 15 9.206 1.670 5.153 161 H LYS 16 H LYS 16 6.649 -4.394 5.240 162 HA LYS 16 HA LYS 16 6.457 -3.113 7.663 163 1HB LYS 16 2HB LYS 16 4.516 -4.638 7.977 164 2HB LYS 16 1HB LYS 16 4.625 -3.985 6.340 165 1HG LYS 16 2HG LYS 16 4.150 -6.342 6.150 166 2HG LYS 16 1HG LYS 16 5.823 -6.088 5.654 167 1HD LYS 16 2HD LYS 16 6.638 -7.290 7.376 168 2HD LYS 16 1HD LYS 16 5.526 -6.551 8.530 169 1HE LYS 16 2HE LYS 16 3.692 -8.025 7.537 170 2HE LYS 16 1HE LYS 16 4.981 -8.896 6.681 171 1HZ LYS 16 1HZ LYS 16 4.896 -8.412 9.613 172 2HZ LYS 16 2HZ LYS 16 6.102 -9.268 8.777 173 3HZ LYS 16 3HZ LYS 16 4.520 -9.884 8.861
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