NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7762 | 1kzs | 5283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 33 1H ACE 33 20.709 -0.745 5.515 2 2H ACE 33 2H ACE 33 19.319 0.233 5.987 3 3H ACE 33 3H ACE 33 19.753 0.081 4.285 4 H PHE 34 H PHE 34 20.276 -2.761 4.353 5 HA PHE 34 HA PHE 34 19.069 -4.769 4.021 6 1HB PHE 34 2HB PHE 34 17.746 -3.508 6.434 7 2HB PHE 34 1HB PHE 34 17.376 -5.144 5.889 8 HD1 PHE 34 1HD PHE 34 19.710 -3.045 7.685 9 HD2 PHE 34 2HD PHE 34 19.264 -6.838 5.718 10 HE1 PHE 34 1HE PHE 34 21.726 -3.890 8.857 11 HE2 PHE 34 2HE PHE 34 21.279 -7.683 6.891 12 HZ PHE 34 HZ PHE 34 22.510 -6.210 8.460 13 HA PRO 35 HA PRO 35 15.718 -2.174 1.985 14 1HB PRO 35 2HB PRO 35 16.332 -2.874 -0.585 15 2HB PRO 35 1HB PRO 35 17.036 -1.463 0.227 16 1HG PRO 35 2HG PRO 35 18.192 -4.174 -0.219 17 2HG PRO 35 1HG PRO 35 18.970 -2.588 -0.323 18 1HD PRO 35 2HD PRO 35 19.235 -4.253 1.816 19 2HD PRO 35 1HD PRO 35 19.342 -2.485 1.938 20 H ARG 36 H ARG 36 16.828 -5.426 2.088 21 HA ARG 36 HA ARG 36 14.901 -6.770 0.479 22 1HB ARG 36 2HB ARG 36 16.958 -7.734 1.504 23 2HB ARG 36 1HB ARG 36 16.193 -7.622 3.090 24 1HG ARG 36 2HG ARG 36 14.371 -9.104 2.308 25 2HG ARG 36 1HG ARG 36 15.156 -9.229 0.733 26 1HD ARG 36 2HD ARG 36 16.445 -10.061 3.358 27 2HD ARG 36 1HD ARG 36 15.703 -11.179 2.198 28 HE ARG 36 HE ARG 36 17.385 -10.399 0.529 29 1HH1 ARG 36 1HH2 ARG 36 18.363 -11.062 3.591 30 2HH1 ARG 36 2HH2 ARG 36 19.821 -10.130 3.556 31 1HH2 ARG 36 1HH1 ARG 36 19.046 -8.540 0.573 32 2HH2 ARG 36 2HH1 ARG 36 20.208 -8.701 1.847 33 H ILE 37 H ILE 37 14.739 -5.624 3.838 34 HA ILE 37 HA ILE 37 12.218 -6.856 4.487 35 HB ILE 37 HB ILE 37 12.365 -5.486 6.438 36 1HG1 ILE 37 1HG1 ILE 37 14.221 -3.665 4.878 37 2HG1 ILE 37 2HG1 ILE 37 12.521 -3.327 5.194 38 1HG2 ILE 37 1HG2 ILE 37 14.640 -6.826 5.417 39 2HG2 ILE 37 2HG2 ILE 37 14.280 -6.466 7.105 40 3HG2 ILE 37 3HG2 ILE 37 15.231 -5.333 6.145 41 1HD1 ILE 37 1HD1 ILE 37 14.291 -2.311 6.805 42 2HD1 ILE 37 2HD1 ILE 37 14.417 -3.944 7.456 43 3HD1 ILE 37 3HD1 ILE 37 12.875 -3.089 7.513 44 H TRP 38 H TRP 38 12.976 -4.368 2.321 45 HA TRP 38 HA TRP 38 10.870 -2.497 2.618 46 1HB TRP 38 2HB TRP 38 12.847 -2.331 1.119 47 2HB TRP 38 1HB TRP 38 12.163 -3.596 0.099 48 HD1 TRP 38 HD TRP 38 11.821 0.070 0.972 49 HE1 TRP 38 1HE TRP 38 10.144 1.176 -0.643 50 HE3 TRP 38 3HE TRP 38 9.997 -4.079 -1.381 51 HZ2 TRP 38 2HZ TRP 38 8.275 0.403 -2.667 52 HZ3 TRP 38 3HZ TRP 38 8.271 -3.865 -3.147 53 HH2 TRP 38 HH TRP 38 7.409 -1.633 -3.792 54 H LEU 39 H LEU 39 10.863 -5.759 1.274 55 HA LEU 39 HA LEU 39 8.433 -5.670 -0.202 56 1HB LEU 39 2HB LEU 39 10.126 -7.488 -0.209 57 2HB LEU 39 1HB LEU 39 9.648 -7.919 1.434 58 HG LEU 39 HG LEU 39 7.270 -8.179 0.506 59 1HD1 LEU 39 1HD1 LEU 39 8.884 -7.888 -2.029 60 2HD1 LEU 39 2HD1 LEU 39 7.383 -7.075 -1.586 61 3HD1 LEU 39 3HD1 LEU 39 7.369 -8.788 -2.005 62 1HD2 LEU 39 1HD2 LEU 39 9.543 -9.989 -0.345 63 2HD2 LEU 39 2HD2 LEU 39 7.846 -10.435 -0.521 64 3HD2 LEU 39 3HD2 LEU 39 8.520 -10.147 1.084 65 H HIS 40 H HIS 40 9.033 -6.065 3.261 66 HA HIS 40 HA HIS 40 6.444 -6.924 4.080 67 1HB HIS 40 2HB HIS 40 8.538 -5.183 5.422 68 2HB HIS 40 1HB HIS 40 7.186 -5.939 6.265 69 HD1 HIS 40 1HD HIS 40 10.357 -6.794 4.403 70 HD2 HIS 40 2HD HIS 40 7.490 -8.700 6.751 71 HE1 HIS 40 1HE HIS 40 11.258 -9.111 4.892 72 H ASN 41 H ASN 41 7.720 -3.701 3.348 73 HA ASN 41 HA ASN 41 5.674 -2.073 4.416 74 1HB ASN 41 2HB ASN 41 7.325 -1.864 1.878 75 2HB ASN 41 1HB ASN 41 6.409 -0.526 2.572 76 1HD2 ASN 41 1HD2 ASN 41 6.932 -1.054 5.356 77 2HD2 ASN 41 2HD2 ASN 41 8.586 -0.797 5.641 78 H LEU 42 H LEU 42 5.834 -3.742 1.272 79 HA LEU 42 HA LEU 42 3.524 -2.768 0.022 80 1HB LEU 42 2HB LEU 42 4.621 -5.597 0.122 81 2HB LEU 42 1HB LEU 42 3.556 -4.964 -1.133 82 HG LEU 42 HG LEU 42 6.370 -4.040 -0.486 83 1HD1 LEU 42 1HD1 LEU 42 7.014 -5.256 -2.284 84 2HD1 LEU 42 2HD1 LEU 42 5.633 -4.721 -3.241 85 3HD1 LEU 42 3HD1 LEU 42 5.462 -6.077 -2.125 86 1HD2 LEU 42 1HD2 LEU 42 5.825 -2.609 -2.633 87 2HD2 LEU 42 2HD2 LEU 42 5.346 -2.021 -1.041 88 3HD2 LEU 42 3HD2 LEU 42 4.158 -2.797 -2.089 89 H GLY 43 H GLY 43 3.794 -5.246 2.555 90 1HA GLY 43 1HA GLY 43 1.141 -6.229 2.490 91 2HA GLY 43 2HA GLY 43 2.154 -6.204 3.932 92 H GLN 44 H GLN 44 2.379 -3.178 3.647 93 HA GLN 44 HA GLN 44 0.156 -2.509 5.374 94 1HB GLN 44 2HB GLN 44 2.422 -1.481 5.423 95 2HB GLN 44 1HB GLN 44 2.108 -0.757 3.845 96 1HG GLN 44 2HG GLN 44 0.075 0.353 4.870 97 2HG GLN 44 1HG GLN 44 0.643 -0.212 6.440 98 1HE2 GLN 44 1HE2 GLN 44 1.915 1.302 7.516 99 2HE2 GLN 44 2HE2 GLN 44 2.864 2.492 6.765 100 H HIS 45 H HIS 45 0.676 -2.349 1.909 101 HA HIS 45 HA HIS 45 -1.445 -0.433 1.361 102 1HB HIS 45 2HB HIS 45 0.109 -2.456 -0.277 103 2HB HIS 45 1HB HIS 45 -1.061 -1.343 -0.988 104 HD1 HIS 45 1HD HIS 45 2.328 -1.460 0.612 105 HD2 HIS 45 2HD HIS 45 -0.239 1.393 -1.014 106 HE1 HIS 45 1HE HIS 45 3.683 0.665 0.366 107 H ILE 46 H ILE 46 -1.182 -3.997 1.118 108 HA ILE 46 HA ILE 46 -3.904 -4.403 0.253 109 HB ILE 46 HB ILE 46 -3.362 -6.721 0.611 110 1HG1 ILE 46 2HG1 ILE 46 -1.011 -5.834 2.304 111 2HG1 ILE 46 1HG1 ILE 46 -2.563 -6.315 2.991 112 1HG2 ILE 46 1HG2 ILE 46 -0.580 -5.884 0.142 113 2HG2 ILE 46 2HG2 ILE 46 -1.756 -5.019 -0.847 114 3HG2 ILE 46 3HG2 ILE 46 -1.677 -6.780 -0.909 115 1HD1 ILE 46 1HD1 ILE 46 -1.917 -8.331 1.139 116 2HD1 ILE 46 2HD1 ILE 46 -1.855 -8.451 2.897 117 3HD1 ILE 46 3HD1 ILE 46 -0.413 -7.985 1.995 118 H TYR 47 H TYR 47 -2.391 -3.969 3.388 119 HA TYR 47 HA TYR 47 -4.464 -5.089 5.029 120 1HB TYR 47 2HB TYR 47 -2.149 -4.548 5.740 121 2HB TYR 47 1HB TYR 47 -2.501 -2.831 5.543 122 HD1 TYR 47 1HD TYR 47 -3.950 -1.651 7.107 123 HD2 TYR 47 2HD TYR 47 -3.185 -5.856 7.542 124 HE1 TYR 47 1HE TYR 47 -4.912 -1.590 9.392 125 HE2 TYR 47 2HE TYR 47 -4.146 -5.794 9.828 126 HH TYR 47 HH TYR 47 -5.978 -4.097 11.004 127 H GLU 48 H GLU 48 -4.009 -1.900 3.567 128 HA GLU 48 HA GLU 48 -6.144 -0.570 4.988 129 1HB GLU 48 2HB GLU 48 -4.794 -0.077 2.312 130 2HB GLU 48 1HB GLU 48 -5.845 1.083 3.123 131 1HG GLU 48 2HG GLU 48 -4.325 1.105 5.067 132 2HG GLU 48 1HG GLU 48 -3.276 -0.062 4.263 133 H THR 49 H THR 49 -5.959 -2.520 2.052 134 HA THR 49 HA THR 49 -8.474 -1.910 0.881 135 HB THR 49 HB THR 49 -7.000 -4.562 1.033 136 HG1 THR 49 1HG THR 49 -6.717 -2.830 -1.112 137 1HG2 THR 49 1HG2 THR 49 -9.436 -4.228 0.006 138 2HG2 THR 49 2HG2 THR 49 -8.241 -5.254 -0.787 139 3HG2 THR 49 3HG2 THR 49 -8.510 -3.609 -1.362 140 H TYR 50 H TYR 50 -7.598 -4.113 3.520 141 HA TYR 50 HA TYR 50 -10.179 -5.380 3.783 142 1HB TYR 50 1HB TYR 50 -7.843 -4.924 5.665 143 2HB TYR 50 2HB TYR 50 -9.204 -5.981 6.038 144 HD1 TYR 50 1HD TYR 50 -9.692 -7.946 4.514 145 HD2 TYR 50 2HD TYR 50 -6.078 -5.642 4.245 146 HE1 TYR 50 1HE TYR 50 -8.615 -9.784 3.242 147 HE2 TYR 50 2HE TYR 50 -5.001 -7.477 2.974 148 HH TYR 50 HH TYR 50 -6.814 -10.216 1.806 149 H GLY 51 H GLY 51 -8.646 -2.580 5.378 150 1HA GLY 51 1HA GLY 51 -11.068 -2.057 6.966 151 2HA GLY 51 2HA GLY 51 -9.584 -1.104 6.997 152 1HN NH2 52 1H GLY 51 -12.536 -1.703 5.061 153 2HN NH2 52 2H GLY 51 -12.501 -0.213 4.250 Start of MODEL 2 1 1H ACE 33 1H ACE 33 21.019 -0.200 7.108 2 2H ACE 33 2H ACE 33 19.600 -0.222 8.156 3 3H ACE 33 3H ACE 33 19.461 0.354 6.495 4 H PHE 34 H PHE 34 17.677 -1.487 6.882 5 HA PHE 34 HA PHE 34 18.861 -4.028 5.813 6 1HB PHE 34 2HB PHE 34 16.714 -3.559 7.900 7 2HB PHE 34 1HB PHE 34 17.006 -5.132 7.160 8 HD1 PHE 34 1HD PHE 34 18.799 -2.359 8.935 9 HD2 PHE 34 2HD PHE 34 18.619 -6.564 8.076 10 HE1 PHE 34 1HE PHE 34 20.659 -2.764 10.525 11 HE2 PHE 34 2HE PHE 34 20.477 -6.969 9.666 12 HZ PHE 34 HZ PHE 34 21.498 -5.069 10.891 13 HA PRO 35 HA PRO 35 15.671 -1.977 2.999 14 1HB PRO 35 2HB PRO 35 16.771 -3.087 0.754 15 2HB PRO 35 1HB PRO 35 17.290 -1.527 1.417 16 1HG PRO 35 2HG PRO 35 18.542 -4.218 1.683 17 2HG PRO 35 1HG PRO 35 19.306 -2.639 1.449 18 1HD PRO 35 2HD PRO 35 19.175 -3.901 3.860 19 2HD PRO 35 1HD PRO 35 19.236 -2.135 3.683 20 H ARG 36 H ARG 36 16.925 -5.191 3.590 21 HA ARG 36 HA ARG 36 15.234 -6.800 2.013 22 1HB ARG 36 2HB ARG 36 16.289 -7.164 4.834 23 2HB ARG 36 1HB ARG 36 15.642 -8.467 3.837 24 1HG ARG 36 2HG ARG 36 17.366 -7.924 2.102 25 2HG ARG 36 1HG ARG 36 18.055 -6.740 3.213 26 1HD ARG 36 2HD ARG 36 17.778 -9.721 3.754 27 2HD ARG 36 1HD ARG 36 19.289 -8.860 3.407 28 HE ARG 36 HE ARG 36 17.639 -8.536 5.871 29 1HH1 ARG 36 1HH2 ARG 36 19.053 -6.033 4.740 30 2HH1 ARG 36 2HH2 ARG 36 20.506 -6.043 5.682 31 1HH2 ARG 36 1HH1 ARG 36 20.098 -9.312 6.762 32 2HH2 ARG 36 2HH1 ARG 36 21.100 -7.900 6.825 33 H ILE 37 H ILE 37 14.522 -5.074 5.018 34 HA ILE 37 HA ILE 37 11.957 -6.406 5.443 35 HB ILE 37 HB ILE 37 11.819 -4.942 7.320 36 1HG1 ILE 37 1HG1 ILE 37 13.924 -3.183 6.032 37 2HG1 ILE 37 2HG1 ILE 37 12.195 -2.855 5.940 38 1HG2 ILE 37 1HG2 ILE 37 13.885 -5.312 8.398 39 2HG2 ILE 37 2HG2 ILE 37 14.801 -5.106 6.906 40 3HG2 ILE 37 3HG2 ILE 37 13.838 -6.562 7.154 41 1HD1 ILE 37 1HD1 ILE 37 12.727 -1.619 7.822 42 2HD1 ILE 37 2HD1 ILE 37 14.033 -2.706 8.294 43 3HD1 ILE 37 3HD1 ILE 37 12.355 -3.168 8.578 44 H TRP 38 H TRP 38 12.961 -4.172 3.167 45 HA TRP 38 HA TRP 38 10.839 -2.253 3.121 46 1HB TRP 38 2HB TRP 38 13.029 -2.167 1.913 47 2HB TRP 38 1HB TRP 38 12.451 -3.442 0.842 48 HD1 TRP 38 HD TRP 38 12.269 0.250 1.440 49 HE1 TRP 38 1HE TRP 38 10.772 1.352 -0.346 50 HE3 TRP 38 3HE TRP 38 10.228 -3.918 -0.691 51 HZ2 TRP 38 2HZ TRP 38 8.952 0.567 -2.409 52 HZ3 TRP 38 3HZ TRP 38 8.617 -3.712 -2.564 53 HH2 TRP 38 HH TRP 38 7.977 -1.477 -3.424 54 H LEU 39 H LEU 39 11.092 -5.540 1.824 55 HA LEU 39 HA LEU 39 8.852 -5.530 0.076 56 1HB LEU 39 2HB LEU 39 10.607 -7.282 0.284 57 2HB LEU 39 1HB LEU 39 9.933 -7.746 1.845 58 HG LEU 39 HG LEU 39 7.713 -8.098 0.620 59 1HD1 LEU 39 1HD1 LEU 39 7.965 -6.991 -1.433 60 2HD1 LEU 39 2HD1 LEU 39 8.217 -8.678 -1.881 61 3HD1 LEU 39 3HD1 LEU 39 9.601 -7.604 -1.672 62 1HD2 LEU 39 1HD2 LEU 39 8.482 -10.192 1.015 63 2HD2 LEU 39 2HD2 LEU 39 10.141 -9.738 0.625 64 3HD2 LEU 39 3HD2 LEU 39 9.021 -10.180 -0.664 65 H HIS 40 H HIS 40 9.037 -5.850 3.586 66 HA HIS 40 HA HIS 40 6.405 -6.845 4.079 67 1HB HIS 40 2HB HIS 40 8.270 -5.054 5.666 68 2HB HIS 40 1HB HIS 40 6.839 -5.834 6.342 69 HD1 HIS 40 1HD HIS 40 10.212 -6.648 4.842 70 HD2 HIS 40 2HD HIS 40 7.142 -8.575 6.899 71 HE1 HIS 40 1HE HIS 40 11.091 -8.944 5.453 72 H ASN 41 H ASN 41 7.587 -3.610 3.343 73 HA ASN 41 HA ASN 41 5.452 -2.010 4.268 74 1HB ASN 41 2HB ASN 41 7.203 -1.859 1.797 75 2HB ASN 41 1HB ASN 41 6.198 -0.527 2.365 76 1HD2 ASN 41 1HD2 ASN 41 6.571 -0.740 5.164 77 2HD2 ASN 41 2HD2 ASN 41 8.203 -0.452 5.533 78 H LEU 42 H LEU 42 5.763 -3.808 1.204 79 HA LEU 42 HA LEU 42 3.457 -2.942 -0.143 80 1HB LEU 42 1HB LEU 42 4.644 -5.729 0.055 81 2HB LEU 42 2HB LEU 42 3.611 -5.148 -1.251 82 HG LEU 42 HG LEU 42 6.374 -4.140 -0.517 83 1HD1 LEU 42 1HD1 LEU 42 5.669 -6.247 -2.094 84 2HD1 LEU 42 2HD1 LEU 42 7.114 -5.270 -2.357 85 3HD1 LEU 42 3HD1 LEU 42 5.645 -4.937 -3.273 86 1HD2 LEU 42 1HD2 LEU 42 5.226 -2.170 -1.108 87 2HD2 LEU 42 2HD2 LEU 42 4.223 -3.003 -2.296 88 3HD2 LEU 42 3HD2 LEU 42 5.927 -2.702 -2.636 89 H GLY 43 H GLY 43 3.750 -5.317 2.479 90 1HA GLY 43 1HA GLY 43 1.105 -6.368 2.350 91 2HA GLY 43 2HA GLY 43 2.111 -6.354 3.798 92 H GLN 44 H GLN 44 2.286 -3.299 3.462 93 HA GLN 44 HA GLN 44 0.033 -2.682 5.199 94 1HB GLN 44 2HB GLN 44 2.283 -1.659 5.369 95 2HB GLN 44 1HB GLN 44 2.059 -0.922 3.782 96 1HG GLN 44 2HG GLN 44 0.045 0.264 4.661 97 2HG GLN 44 1HG GLN 44 0.381 -0.408 6.257 98 1HE2 GLN 44 1HE2 GLN 44 0.395 2.330 6.151 99 2HE2 GLN 44 2HE2 GLN 44 1.980 2.938 6.191 100 H HIS 45 H HIS 45 0.680 -2.418 1.762 101 HA HIS 45 HA HIS 45 -1.372 -0.469 1.153 102 1HB HIS 45 2HB HIS 45 0.077 -2.605 -0.441 103 2HB HIS 45 1HB HIS 45 -0.990 -1.405 -1.171 104 HD1 HIS 45 1HD HIS 45 2.291 -1.716 0.672 105 HD2 HIS 45 2HD HIS 45 0.106 1.191 -1.367 106 HE1 HIS 45 1HE HIS 45 3.831 0.276 0.397 107 H ILE 46 H ILE 46 -1.270 -4.045 1.014 108 HA ILE 46 HA ILE 46 -4.039 -4.293 0.159 109 HB ILE 46 HB ILE 46 -3.580 -6.641 0.374 110 1HG1 ILE 46 2HG1 ILE 46 -1.160 -5.922 2.052 111 2HG1 ILE 46 1HG1 ILE 46 -2.704 -6.423 2.739 112 1HG2 ILE 46 1HG2 ILE 46 -1.803 -6.785 -1.088 113 2HG2 ILE 46 2HG2 ILE 46 -0.796 -5.695 -0.136 114 3HG2 ILE 46 3HG2 ILE 46 -2.072 -5.044 -1.163 115 1HD1 ILE 46 1HD1 ILE 46 -0.603 -8.071 1.678 116 2HD1 ILE 46 2HD1 ILE 46 -2.053 -8.294 0.698 117 3HD1 ILE 46 3HD1 ILE 46 -2.113 -8.573 2.439 118 H TYR 47 H TYR 47 -2.386 -4.050 3.235 119 HA TYR 47 HA TYR 47 -4.382 -5.190 4.941 120 1HB TYR 47 2HB TYR 47 -1.999 -4.626 5.489 121 2HB TYR 47 1HB TYR 47 -2.442 -2.918 5.465 122 HD1 TYR 47 1HD TYR 47 -2.923 -6.145 7.208 123 HD2 TYR 47 2HD TYR 47 -3.747 -1.930 7.251 124 HE1 TYR 47 1HE TYR 47 -3.720 -6.324 9.549 125 HE2 TYR 47 2HE TYR 47 -4.541 -2.109 9.594 126 HH TYR 47 HH TYR 47 -3.874 -4.189 11.606 127 H GLU 48 H GLU 48 -3.839 -1.847 3.848 128 HA GLU 48 HA GLU 48 -5.954 -0.601 5.294 129 1HB GLU 48 2HB GLU 48 -3.939 0.254 3.793 130 2HB GLU 48 1HB GLU 48 -5.168 0.253 2.528 131 1HG GLU 48 2HG GLU 48 -6.634 1.599 4.107 132 2HG GLU 48 1HG GLU 48 -5.223 1.768 5.149 133 H THR 49 H THR 49 -5.912 -2.335 2.206 134 HA THR 49 HA THR 49 -8.452 -1.603 1.188 135 HB THR 49 HB THR 49 -7.073 -4.308 1.093 136 HG1 THR 49 1HG THR 49 -6.323 -3.187 -0.963 137 1HG2 THR 49 1HG2 THR 49 -9.389 -4.207 0.175 138 2HG2 THR 49 2HG2 THR 49 -8.181 -4.527 -1.069 139 3HG2 THR 49 3HG2 THR 49 -8.874 -2.913 -0.907 140 H TYR 50 H TYR 50 -7.544 -3.976 3.661 141 HA TYR 50 HA TYR 50 -10.154 -5.202 3.907 142 1HB TYR 50 1HB TYR 50 -7.773 -4.945 5.771 143 2HB TYR 50 2HB TYR 50 -9.144 -6.012 6.067 144 HD1 TYR 50 1HD TYR 50 -9.650 -7.868 4.444 145 HD2 TYR 50 2HD TYR 50 -6.061 -5.523 4.216 146 HE1 TYR 50 1HE TYR 50 -8.609 -9.601 3.005 147 HE2 TYR 50 2HE TYR 50 -5.019 -7.253 2.778 148 HH TYR 50 HH TYR 50 -5.641 -9.055 1.331 149 H GLY 51 H GLY 51 -8.478 -2.599 5.692 150 1HA GLY 51 2HA GLY 51 -10.944 -2.077 7.253 151 2HA GLY 51 1HA GLY 51 -9.373 -1.324 7.527 152 1HN NH2 52 1H GLY 51 -8.728 0.433 6.016 153 2HN NH2 52 2H GLY 51 -9.911 1.286 5.150 Start of MODEL 3 1 1H ACE 33 1H ACE 33 16.785 -2.773 8.145 2 2H ACE 33 2H ACE 33 18.446 -2.332 8.541 3 3H ACE 33 3H ACE 33 17.849 -3.948 8.916 4 H PHE 34 H PHE 34 16.673 -4.801 6.645 5 HA PHE 34 HA PHE 34 18.799 -4.534 4.542 6 1HB PHE 34 2HB PHE 34 17.166 -7.004 5.179 7 2HB PHE 34 1HB PHE 34 18.648 -6.906 4.228 8 HD1 PHE 34 1HD PHE 34 17.251 -7.371 7.507 9 HD2 PHE 34 2HD PHE 34 20.794 -6.135 5.417 10 HE1 PHE 34 1HE PHE 34 18.592 -7.742 9.560 11 HE2 PHE 34 2HE PHE 34 22.135 -6.506 7.470 12 HZ PHE 34 HZ PHE 34 21.033 -7.309 9.542 13 HA PRO 35 HA PRO 35 15.707 -3.430 1.650 14 1HB PRO 35 2HB PRO 35 16.204 -5.093 -0.464 15 2HB PRO 35 1HB PRO 35 17.200 -3.671 -0.099 16 1HG PRO 35 2HG PRO 35 17.691 -6.547 0.520 17 2HG PRO 35 1HG PRO 35 18.822 -5.308 -0.045 18 1HD PRO 35 2HD PRO 35 18.668 -6.107 2.547 19 2HD PRO 35 1HD PRO 35 19.150 -4.467 2.068 20 H ARG 36 H ARG 36 16.100 -6.708 2.752 21 HA ARG 36 HA ARG 36 13.901 -8.027 1.569 22 1HB ARG 36 2HB ARG 36 15.092 -8.197 4.354 23 2HB ARG 36 1HB ARG 36 14.018 -9.410 3.659 24 1HG ARG 36 2HG ARG 36 15.636 -9.703 1.778 25 2HG ARG 36 1HG ARG 36 16.729 -8.578 2.584 26 1HD ARG 36 2HD ARG 36 16.679 -10.108 4.604 27 2HD ARG 36 1HD ARG 36 15.789 -11.278 3.611 28 HE ARG 36 HE ARG 36 17.990 -10.518 2.055 29 1HH1 ARG 36 1HH2 ARG 36 17.483 -13.316 3.128 30 2HH1 ARG 36 2HH2 ARG 36 18.930 -13.598 4.037 31 1HH2 ARG 36 1HH1 ARG 36 19.853 -10.257 4.110 32 2HH2 ARG 36 2HH1 ARG 36 20.273 -11.866 4.593 33 H ILE 37 H ILE 37 13.994 -5.740 4.267 34 HA ILE 37 HA ILE 37 11.297 -6.153 5.185 35 HB ILE 37 HB ILE 37 11.730 -4.187 6.475 36 1HG1 ILE 37 1HG1 ILE 37 13.905 -3.483 4.483 37 2HG1 ILE 37 2HG1 ILE 37 12.300 -2.755 4.500 38 1HG2 ILE 37 1HG2 ILE 37 14.568 -4.993 6.043 39 2HG2 ILE 37 2HG2 ILE 37 13.435 -6.260 6.510 40 3HG2 ILE 37 3HG2 ILE 37 13.657 -4.850 7.546 41 1HD1 ILE 37 1HD1 ILE 37 14.324 -2.669 6.759 42 2HD1 ILE 37 2HD1 ILE 37 12.696 -1.995 6.834 43 3HD1 ILE 37 3HD1 ILE 37 13.879 -1.321 5.712 44 H TRP 38 H TRP 38 12.613 -4.514 2.421 45 HA TRP 38 HA TRP 38 10.701 -2.501 1.909 46 1HB TRP 38 1HB TRP 38 12.844 -3.099 0.673 47 2HB TRP 38 2HB TRP 38 11.935 -4.387 -0.118 48 HD1 TRP 38 HD TRP 38 12.362 -0.624 -0.036 49 HE1 TRP 38 1HE TRP 38 11.036 0.423 -1.983 50 HE3 TRP 38 3HE TRP 38 9.791 -4.727 -1.662 51 HZ2 TRP 38 2HZ TRP 38 9.137 -0.374 -3.969 52 HZ3 TRP 38 3HZ TRP 38 8.232 -4.555 -3.581 53 HH2 TRP 38 HH TRP 38 7.902 -2.386 -4.735 54 H LEU 39 H LEU 39 10.573 -5.987 1.131 55 HA LEU 39 HA LEU 39 8.075 -5.953 -0.262 56 1HB LEU 39 2HB LEU 39 9.358 -8.100 1.462 57 2HB LEU 39 1HB LEU 39 8.136 -8.374 0.221 58 HG LEU 39 HG LEU 39 10.898 -7.204 -0.247 59 1HD1 LEU 39 1HD1 LEU 39 10.970 -9.609 0.225 60 2HD1 LEU 39 2HD1 LEU 39 11.267 -9.328 -1.491 61 3HD1 LEU 39 3HD1 LEU 39 9.687 -9.896 -0.951 62 1HD2 LEU 39 1HD2 LEU 39 10.105 -6.485 -2.227 63 2HD2 LEU 39 2HD2 LEU 39 8.488 -7.003 -1.754 64 3HD2 LEU 39 3HD2 LEU 39 9.555 -8.115 -2.612 65 H HIS 40 H HIS 40 8.888 -6.103 3.170 66 HA HIS 40 HA HIS 40 6.329 -6.828 4.210 67 1HB HIS 40 2HB HIS 40 8.457 -6.807 5.465 68 2HB HIS 40 1HB HIS 40 8.530 -5.051 5.320 69 HD1 HIS 40 1HD HIS 40 7.353 -3.728 7.094 70 HD2 HIS 40 2HD HIS 40 6.082 -7.698 7.022 71 HE1 HIS 40 1HE HIS 40 5.804 -4.020 9.077 72 H ASN 41 H ASN 41 7.746 -3.661 3.404 73 HA ASN 41 HA ASN 41 5.750 -1.932 4.384 74 1HB ASN 41 2HB ASN 41 8.035 -1.566 3.167 75 2HB ASN 41 1HB ASN 41 7.068 -1.585 1.695 76 1HD2 ASN 41 1HD2 ASN 41 8.155 0.817 1.967 77 2HD2 ASN 41 2HD2 ASN 41 7.103 1.959 2.653 78 H LEU 42 H LEU 42 5.889 -3.658 1.268 79 HA LEU 42 HA LEU 42 3.566 -2.601 0.052 80 1HB LEU 42 2HB LEU 42 4.691 -5.421 -0.026 81 2HB LEU 42 1HB LEU 42 3.634 -4.706 -1.241 82 HG LEU 42 HG LEU 42 6.431 -3.793 -0.512 83 1HD1 LEU 42 1HD1 LEU 42 5.381 -5.656 -2.424 84 2HD1 LEU 42 2HD1 LEU 42 7.058 -5.171 -2.175 85 3HD1 LEU 42 3HD1 LEU 42 6.035 -4.266 -3.291 86 1HD2 LEU 42 1HD2 LEU 42 5.996 -2.221 -2.505 87 2HD2 LEU 42 2HD2 LEU 42 5.226 -1.799 -0.976 88 3HD2 LEU 42 3HD2 LEU 42 4.286 -2.571 -2.254 89 H GLY 43 H GLY 43 3.903 -5.090 2.541 90 1HA GLY 43 1HA GLY 43 1.276 -6.176 2.418 91 2HA GLY 43 2HA GLY 43 2.292 -6.170 3.859 92 H GLN 44 H GLN 44 2.465 -3.162 3.748 93 HA GLN 44 HA GLN 44 0.224 -2.588 5.466 94 1HB GLN 44 2HB GLN 44 2.481 -1.512 5.510 95 2HB GLN 44 1HB GLN 44 2.100 -0.722 3.978 96 1HG GLN 44 2HG GLN 44 0.135 0.357 5.050 97 2HG GLN 44 1HG GLN 44 0.579 -0.392 6.583 98 1HE2 GLN 44 1HE2 GLN 44 0.521 2.344 6.651 99 2HE2 GLN 44 2HE2 GLN 44 2.088 2.995 6.627 100 H HIS 45 H HIS 45 0.763 -2.258 2.009 101 HA HIS 45 HA HIS 45 -1.411 -0.405 1.504 102 1HB HIS 45 2HB HIS 45 0.109 -2.397 -0.213 103 2HB HIS 45 1HB HIS 45 -0.999 -1.184 -0.856 104 HD1 HIS 45 1HD HIS 45 2.312 -1.517 0.928 105 HD2 HIS 45 2HD HIS 45 0.024 1.449 -0.902 106 HE1 HIS 45 1HE HIS 45 3.792 0.534 0.767 107 H ILE 46 H ILE 46 -1.087 -3.962 1.237 108 HA ILE 46 HA ILE 46 -3.755 -4.449 0.308 109 HB ILE 46 HB ILE 46 -1.980 -6.088 0.110 110 1HG1 ILE 46 2HG1 ILE 46 -3.798 -7.217 2.234 111 2HG1 ILE 46 1HG1 ILE 46 -4.415 -6.800 0.635 112 1HG2 ILE 46 1HG2 ILE 46 -0.560 -5.591 1.956 113 2HG2 ILE 46 2HG2 ILE 46 -1.177 -7.210 2.279 114 3HG2 ILE 46 3HG2 ILE 46 -1.865 -5.822 3.119 115 1HD1 ILE 46 1HD1 ILE 46 -2.873 -9.115 1.445 116 2HD1 ILE 46 2HD1 ILE 46 -2.028 -8.229 0.177 117 3HD1 ILE 46 3HD1 ILE 46 -3.674 -8.803 -0.094 118 H TYR 47 H TYR 47 -2.380 -4.090 3.555 119 HA TYR 47 HA TYR 47 -4.541 -5.079 5.100 120 1HB TYR 47 2HB TYR 47 -2.277 -4.440 5.907 121 2HB TYR 47 1HB TYR 47 -2.677 -2.744 5.633 122 HD1 TYR 47 1HD TYR 47 -3.422 -5.738 7.671 123 HD2 TYR 47 2HD TYR 47 -4.194 -1.552 7.095 124 HE1 TYR 47 1HE TYR 47 -4.514 -5.633 9.895 125 HE2 TYR 47 2HE TYR 47 -5.285 -1.447 9.320 126 HH TYR 47 HH TYR 47 -6.231 -2.771 10.963 127 H GLU 48 H GLU 48 -4.001 -1.857 3.704 128 HA GLU 48 HA GLU 48 -6.249 -0.538 4.870 129 1HB GLU 48 2HB GLU 48 -4.770 -0.178 2.243 130 2HB GLU 48 1HB GLU 48 -5.899 1.002 2.909 131 1HG GLU 48 2HG GLU 48 -4.500 1.142 4.962 132 2HG GLU 48 1HG GLU 48 -3.349 0.022 4.231 133 H THR 49 H THR 49 -5.916 -2.554 1.968 134 HA THR 49 HA THR 49 -8.429 -2.045 0.748 135 HB THR 49 HB THR 49 -6.865 -4.642 0.947 136 HG1 THR 49 1HG THR 49 -6.533 -2.277 -0.521 137 1HG2 THR 49 1HG2 THR 49 -8.635 -5.373 -0.270 138 2HG2 THR 49 2HG2 THR 49 -7.900 -4.459 -1.587 139 3HG2 THR 49 3HG2 THR 49 -9.186 -3.735 -0.621 140 H TYR 50 H TYR 50 -7.527 -4.202 3.417 141 HA TYR 50 HA TYR 50 -10.036 -5.587 3.648 142 1HB TYR 50 1HB TYR 50 -7.831 -4.900 5.618 143 2HB TYR 50 2HB TYR 50 -9.130 -6.038 5.962 144 HD1 TYR 50 1HD TYR 50 -6.530 -7.139 6.211 145 HD2 TYR 50 2HD TYR 50 -8.789 -6.503 2.610 146 HE1 TYR 50 1HE TYR 50 -5.247 -8.938 5.087 147 HE2 TYR 50 2HE TYR 50 -7.505 -8.304 1.489 148 HH TYR 50 HH TYR 50 -4.648 -9.609 2.795 149 H GLY 51 H GLY 51 -8.757 -2.630 5.177 150 1HA GLY 51 1HA GLY 51 -11.501 -1.672 5.624 151 2HA GLY 51 2HA GLY 51 -10.578 -1.982 7.094 152 1HN NH2 52 1H GLY 51 -11.524 0.629 5.685 153 2HN NH2 52 2H GLY 51 -10.117 1.578 5.628 Start of MODEL 4 1 1H ACE 33 1H ACE 33 18.623 -2.661 7.357 2 2H ACE 33 2H ACE 33 17.059 -3.470 7.457 3 3H ACE 33 3H ACE 33 17.161 -1.822 6.839 4 H PHE 34 H PHE 34 17.848 -5.203 6.104 5 HA PHE 34 HA PHE 34 18.955 -4.762 3.473 6 1HB PHE 34 2HB PHE 34 18.095 -6.941 5.225 7 2HB PHE 34 1HB PHE 34 17.752 -7.277 3.529 8 HD1 PHE 34 1HD PHE 34 19.434 -8.378 2.360 9 HD2 PHE 34 2HD PHE 34 20.507 -5.688 5.534 10 HE1 PHE 34 1HE PHE 34 21.832 -8.881 1.977 11 HE2 PHE 34 2HE PHE 34 22.904 -6.192 5.150 12 HZ PHE 34 HZ PHE 34 23.567 -7.789 3.372 13 HA PRO 35 HA PRO 35 15.412 -3.568 1.168 14 1HB PRO 35 2HB PRO 35 15.789 -5.010 -1.124 15 2HB PRO 35 1HB PRO 35 16.696 -3.531 -0.751 16 1HG PRO 35 2HG PRO 35 17.510 -6.384 -0.467 17 2HG PRO 35 1HG PRO 35 18.454 -4.993 -1.020 18 1HD PRO 35 2HD PRO 35 18.650 -6.045 1.486 19 2HD PRO 35 1HD PRO 35 18.972 -4.339 1.114 20 H ARG 36 H ARG 36 16.227 -6.885 1.887 21 HA ARG 36 HA ARG 36 14.021 -8.303 0.863 22 1HB ARG 36 2HB ARG 36 15.564 -8.580 3.460 23 2HB ARG 36 1HB ARG 36 14.509 -9.830 2.799 24 1HG ARG 36 2HG ARG 36 15.890 -9.792 0.700 25 2HG ARG 36 1HG ARG 36 16.999 -8.680 1.504 26 1HD ARG 36 2HD ARG 36 16.315 -11.497 2.427 27 2HD ARG 36 1HD ARG 36 17.860 -10.962 1.740 28 HE ARG 36 HE ARG 36 17.561 -9.202 3.792 29 1HH1 ARG 36 1HH2 ARG 36 15.922 -12.038 4.250 30 2HH1 ARG 36 2HH2 ARG 36 16.847 -12.586 5.608 31 1HH2 ARG 36 1HH1 ARG 36 19.288 -10.146 5.270 32 2HH2 ARG 36 2HH1 ARG 36 18.752 -11.516 6.185 33 H ILE 37 H ILE 37 14.244 -6.317 3.798 34 HA ILE 37 HA ILE 37 11.627 -7.050 4.816 35 HB ILE 37 HB ILE 37 12.110 -5.402 6.466 36 1HG1 ILE 37 1HG1 ILE 37 14.110 -4.168 4.550 37 2HG1 ILE 37 2HG1 ILE 37 12.475 -3.557 4.799 38 1HG2 ILE 37 1HG2 ILE 37 13.921 -6.499 7.223 39 2HG2 ILE 37 2HG2 ILE 37 14.943 -5.723 6.013 40 3HG2 ILE 37 3HG2 ILE 37 14.099 -7.223 5.624 41 1HD1 ILE 37 1HD1 ILE 37 14.590 -2.669 6.223 42 2HD1 ILE 37 2HD1 ILE 37 14.102 -4.021 7.245 43 3HD1 ILE 37 3HD1 ILE 37 12.956 -2.730 6.884 44 H TRP 38 H TRP 38 12.657 -5.054 2.245 45 HA TRP 38 HA TRP 38 10.783 -2.922 2.275 46 1HB TRP 38 2HB TRP 38 12.744 -3.174 0.777 47 2HB TRP 38 1HB TRP 38 11.931 -4.502 -0.049 48 HD1 TRP 38 HD TRP 38 11.886 -0.721 0.335 49 HE1 TRP 38 1HE TRP 38 10.343 0.287 -1.467 50 HE3 TRP 38 3HE TRP 38 9.817 -4.994 -1.547 51 HZ2 TRP 38 2HZ TRP 38 8.479 -0.600 -3.447 52 HZ3 TRP 38 3HZ TRP 38 8.162 -4.884 -3.387 53 HH2 TRP 38 HH TRP 38 7.492 -2.695 -4.340 54 H LEU 39 H LEU 39 10.445 -6.288 1.198 55 HA LEU 39 HA LEU 39 7.984 -6.112 -0.189 56 1HB LEU 39 2HB LEU 39 9.512 -8.076 -0.033 57 2HB LEU 39 1HB LEU 39 9.008 -8.306 1.642 58 HG LEU 39 HG LEU 39 6.616 -8.448 0.764 59 1HD1 LEU 39 1HD1 LEU 39 7.644 -9.261 -1.885 60 2HD1 LEU 39 2HD1 LEU 39 7.721 -7.528 -1.563 61 3HD1 LEU 39 3HD1 LEU 39 6.177 -8.374 -1.471 62 1HD2 LEU 39 1HD2 LEU 39 7.134 -10.606 1.199 63 2HD2 LEU 39 2HD2 LEU 39 8.785 -10.396 0.616 64 3HD2 LEU 39 3HD2 LEU 39 7.490 -10.766 -0.522 65 H HIS 40 H HIS 40 8.640 -6.339 3.288 66 HA HIS 40 HA HIS 40 5.982 -6.783 4.205 67 1HB HIS 40 2HB HIS 40 8.401 -5.364 5.349 68 2HB HIS 40 1HB HIS 40 6.939 -5.657 6.291 69 HD1 HIS 40 1HD HIS 40 9.810 -7.445 4.641 70 HD2 HIS 40 2HD HIS 40 6.524 -8.361 7.036 71 HE1 HIS 40 1HE HIS 40 10.121 -9.843 5.395 72 H ASN 41 H ASN 41 7.715 -3.787 3.382 73 HA ASN 41 HA ASN 41 5.897 -1.850 4.314 74 1HB ASN 41 2HB ASN 41 7.584 -2.007 1.794 75 2HB ASN 41 1HB ASN 41 6.824 -0.524 2.368 76 1HD2 ASN 41 1HD2 ASN 41 9.692 -0.814 2.178 77 2HD2 ASN 41 2HD2 ASN 41 10.327 -0.768 3.751 78 H LEU 42 H LEU 42 5.827 -3.716 1.280 79 HA LEU 42 HA LEU 42 3.543 -2.458 0.106 80 1HB LEU 42 2HB LEU 42 5.214 -3.944 -1.006 81 2HB LEU 42 1HB LEU 42 4.548 -5.314 -0.118 82 HG LEU 42 HG LEU 42 2.279 -4.654 -1.135 83 1HD1 LEU 42 1HD1 LEU 42 2.183 -2.860 -2.494 84 2HD1 LEU 42 2HD1 LEU 42 3.482 -3.507 -3.497 85 3HD1 LEU 42 3HD1 LEU 42 3.866 -2.515 -2.090 86 1HD2 LEU 42 1HD2 LEU 42 3.032 -5.645 -3.429 87 2HD2 LEU 42 2HD2 LEU 42 3.241 -6.628 -1.980 88 3HD2 LEU 42 3HD2 LEU 42 4.619 -5.771 -2.671 89 H GLY 43 H GLY 43 3.859 -4.924 2.592 90 1HA GLY 43 1HA GLY 43 1.235 -6.035 2.450 91 2HA GLY 43 2HA GLY 43 2.238 -6.003 3.902 92 H GLN 44 H GLN 44 2.442 -3.025 3.769 93 HA GLN 44 HA GLN 44 0.202 -2.368 5.445 94 1HB GLN 44 2HB GLN 44 2.250 -0.723 3.928 95 2HB GLN 44 1HB GLN 44 1.152 -0.047 5.131 96 1HG GLN 44 2HG GLN 44 2.061 -1.597 6.828 97 2HG GLN 44 1HG GLN 44 3.162 -2.267 5.625 98 1HE2 GLN 44 1HE2 GLN 44 4.164 -1.006 7.991 99 2HE2 GLN 44 2HE2 GLN 44 4.947 0.432 7.545 100 H HIS 45 H HIS 45 0.722 -2.201 1.982 101 HA HIS 45 HA HIS 45 -1.466 -0.343 1.445 102 1HB HIS 45 2HB HIS 45 0.172 -2.266 -0.236 103 2HB HIS 45 1HB HIS 45 -0.985 -1.120 -0.913 104 HD1 HIS 45 1HD HIS 45 2.310 -1.262 0.924 105 HD2 HIS 45 2HD HIS 45 -0.109 1.565 -0.956 106 HE1 HIS 45 1HE HIS 45 3.681 0.862 0.766 107 H ILE 46 H ILE 46 -1.029 -3.887 1.155 108 HA ILE 46 HA ILE 46 -3.709 -4.393 0.210 109 HB ILE 46 HB ILE 46 -3.071 -6.688 0.500 110 1HG1 ILE 46 2HG1 ILE 46 -0.819 -5.775 2.309 111 2HG1 ILE 46 1HG1 ILE 46 -2.373 -6.337 2.923 112 1HG2 ILE 46 1HG2 ILE 46 -1.516 -4.904 -0.872 113 2HG2 ILE 46 2HG2 ILE 46 -1.295 -6.653 -0.923 114 3HG2 ILE 46 3HG2 ILE 46 -0.317 -5.672 0.169 115 1HD1 ILE 46 1HD1 ILE 46 -1.532 -8.242 0.998 116 2HD1 ILE 46 2HD1 ILE 46 -1.640 -8.455 2.745 117 3HD1 ILE 46 3HD1 ILE 46 -0.133 -7.902 2.016 118 H TYR 47 H TYR 47 -2.269 -4.043 3.406 119 HA TYR 47 HA TYR 47 -4.357 -5.262 4.947 120 1HB TYR 47 1HB TYR 47 -2.069 -4.669 5.732 121 2HB TYR 47 2HB TYR 47 -2.491 -2.962 5.611 122 HD1 TYR 47 1HD TYR 47 -3.988 -1.914 7.210 123 HD2 TYR 47 2HD TYR 47 -3.128 -6.117 7.423 124 HE1 TYR 47 1HE TYR 47 -5.004 -2.007 9.470 125 HE2 TYR 47 2HE TYR 47 -4.143 -6.210 9.684 126 HH TYR 47 HH TYR 47 -6.119 -4.432 10.886 127 H GLU 48 H GLU 48 -3.930 -1.998 3.649 128 HA GLU 48 HA GLU 48 -6.144 -0.775 5.029 129 1HB GLU 48 2HB GLU 48 -4.708 -0.172 2.422 130 2HB GLU 48 1HB GLU 48 -5.835 0.935 3.206 131 1HG GLU 48 2HG GLU 48 -4.410 0.942 5.229 132 2HG GLU 48 1HG GLU 48 -3.277 -0.147 4.428 133 H THR 49 H THR 49 -5.841 -2.707 2.109 134 HA THR 49 HA THR 49 -8.297 -2.108 0.815 135 HB THR 49 HB THR 49 -6.839 -4.760 1.085 136 HG1 THR 49 1HG THR 49 -5.736 -4.015 -0.772 137 1HG2 THR 49 1HG2 THR 49 -8.298 -5.554 -0.425 138 2HG2 THR 49 2HG2 THR 49 -7.967 -4.199 -1.504 139 3HG2 THR 49 3HG2 THR 49 -9.219 -4.056 -0.270 140 H TYR 50 H TYR 50 -7.545 -4.266 3.525 141 HA TYR 50 HA TYR 50 -10.144 -5.514 3.705 142 1HB TYR 50 1HB TYR 50 -7.890 -5.032 5.682 143 2HB TYR 50 2HB TYR 50 -9.262 -6.092 5.999 144 HD1 TYR 50 1HD TYR 50 -9.660 -8.084 4.490 145 HD2 TYR 50 2HD TYR 50 -6.062 -5.744 4.334 146 HE1 TYR 50 1HE TYR 50 -8.515 -9.925 3.285 147 HE2 TYR 50 2HE TYR 50 -4.917 -7.584 3.128 148 HH TYR 50 HH TYR 50 -5.483 -9.509 1.752 149 H GLY 51 H GLY 51 -8.639 -2.706 5.311 150 1HA GLY 51 2HA GLY 51 -11.159 -1.343 5.624 151 2HA GLY 51 1HA GLY 51 -10.661 -2.068 7.152 152 1HN NH2 52 1H GLY 51 -10.782 0.710 7.066 153 2HN NH2 52 2H GLY 51 -9.217 1.367 7.045 Start of MODEL 5 1 1H ACE 33 1H ACE 33 15.053 -0.099 7.434 2 2H ACE 33 2H ACE 33 16.606 0.692 7.699 3 3H ACE 33 3H ACE 33 16.297 -0.898 8.396 4 H PHE 34 H PHE 34 16.915 -2.657 7.208 5 HA PHE 34 HA PHE 34 18.423 -2.350 4.781 6 1HB PHE 34 2HB PHE 34 17.351 -4.536 6.507 7 2HB PHE 34 1HB PHE 34 17.856 -4.980 4.877 8 HD1 PHE 34 1HD PHE 34 19.098 -2.713 7.609 9 HD2 PHE 34 2HD PHE 34 20.048 -5.726 4.700 10 HE1 PHE 34 1HE PHE 34 21.471 -2.657 8.327 11 HE2 PHE 34 2HE PHE 34 22.422 -5.671 5.418 12 HZ PHE 34 HZ PHE 34 23.133 -4.136 7.232 13 HA PRO 35 HA PRO 35 15.312 -2.053 1.694 14 1HB PRO 35 2HB PRO 35 16.348 -3.700 -0.228 15 2HB PRO 35 1HB PRO 35 16.951 -2.058 0.064 16 1HG PRO 35 2HG PRO 35 18.058 -4.677 0.959 17 2HG PRO 35 1HG PRO 35 18.905 -3.241 0.363 18 1HD PRO 35 2HD PRO 35 18.729 -3.883 3.000 19 2HD PRO 35 1HD PRO 35 18.865 -2.213 2.415 20 H ARG 36 H ARG 36 16.404 -5.084 3.050 21 HA ARG 36 HA ARG 36 14.614 -6.927 1.866 22 1HB ARG 36 2HB ARG 36 15.761 -6.704 4.663 23 2HB ARG 36 1HB ARG 36 14.974 -8.153 4.038 24 1HG ARG 36 2HG ARG 36 16.634 -8.153 2.146 25 2HG ARG 36 1HG ARG 36 17.475 -6.828 2.951 26 1HD ARG 36 2HD ARG 36 16.988 -9.600 4.108 27 2HD ARG 36 1HD ARG 36 18.547 -8.941 3.579 28 HE ARG 36 HE ARG 36 17.784 -7.032 5.338 29 1HH1 ARG 36 1HH2 ARG 36 18.956 -10.133 5.616 30 2HH1 ARG 36 2HH2 ARG 36 18.529 -10.351 7.280 31 1HH2 ARG 36 1HH1 ARG 36 16.647 -7.445 7.454 32 2HH2 ARG 36 2HH1 ARG 36 17.223 -8.829 8.320 33 H ILE 37 H ILE 37 14.079 -4.593 4.481 34 HA ILE 37 HA ILE 37 11.494 -5.626 5.275 35 HB ILE 37 HB ILE 37 11.439 -3.680 6.646 36 1HG1 ILE 37 1HG1 ILE 37 13.441 -2.411 4.754 37 2HG1 ILE 37 2HG1 ILE 37 11.714 -2.062 4.766 38 1HG2 ILE 37 1HG2 ILE 37 14.392 -3.726 6.362 39 2HG2 ILE 37 2HG2 ILE 37 13.620 -5.289 6.633 40 3HG2 ILE 37 3HG2 ILE 37 13.394 -3.980 7.794 41 1HD1 ILE 37 1HD1 ILE 37 11.825 -1.148 6.978 42 2HD1 ILE 37 2HD1 ILE 37 13.170 -0.438 6.085 43 3HD1 ILE 37 3HD1 ILE 37 13.462 -1.758 7.218 44 H TRP 38 H TRP 38 12.531 -3.953 2.500 45 HA TRP 38 HA TRP 38 10.405 -2.188 1.899 46 1HB TRP 38 2HB TRP 38 12.589 -2.571 0.684 47 2HB TRP 38 1HB TRP 38 11.882 -4.036 0.001 48 HD1 TRP 38 HD TRP 38 11.906 -0.293 -0.337 49 HE1 TRP 38 1HE TRP 38 10.415 0.406 -2.319 50 HE3 TRP 38 3HE TRP 38 9.634 -4.753 -1.347 51 HZ2 TRP 38 2HZ TRP 38 8.509 -0.771 -4.099 52 HZ3 TRP 38 3HZ TRP 38 7.988 -4.937 -3.190 53 HH2 TRP 38 HH TRP 38 7.422 -2.953 -4.567 54 H LEU 39 H LEU 39 10.656 -5.708 1.429 55 HA LEU 39 HA LEU 39 8.233 -6.082 -0.037 56 1HB LEU 39 2HB LEU 39 9.661 -7.889 1.938 57 2HB LEU 39 1HB LEU 39 8.528 -8.420 0.695 58 HG LEU 39 HG LEU 39 11.188 -7.039 0.225 59 1HD1 LEU 39 1HD1 LEU 39 10.581 -9.677 -0.962 60 2HD1 LEU 39 2HD1 LEU 39 10.731 -9.673 0.796 61 3HD1 LEU 39 3HD1 LEU 39 12.065 -9.099 -0.205 62 1HD2 LEU 39 1HD2 LEU 39 10.338 -6.427 -1.768 63 2HD2 LEU 39 2HD2 LEU 39 8.810 -7.227 -1.401 64 3HD2 LEU 39 3HD2 LEU 39 10.121 -8.134 -2.155 65 H HIS 40 H HIS 40 8.881 -5.780 3.420 66 HA HIS 40 HA HIS 40 6.320 -6.694 4.362 67 1HB HIS 40 2HB HIS 40 8.251 -6.563 5.807 68 2HB HIS 40 1HB HIS 40 8.454 -4.844 5.467 69 HD1 HIS 40 1HD HIS 40 7.513 -3.373 7.234 70 HD2 HIS 40 2HD HIS 40 5.463 -6.997 7.029 71 HE1 HIS 40 1HE HIS 40 5.749 -3.302 9.051 72 H ASN 41 H ASN 41 7.544 -3.520 3.345 73 HA ASN 41 HA ASN 41 5.422 -1.874 4.244 74 1HB ASN 41 2HB ASN 41 7.202 -1.801 1.790 75 2HB ASN 41 1HB ASN 41 6.176 -0.454 2.280 76 1HD2 ASN 41 1HD2 ASN 41 9.028 -0.188 2.220 77 2HD2 ASN 41 2HD2 ASN 41 9.586 -0.016 3.814 78 H LEU 42 H LEU 42 5.742 -3.714 1.195 79 HA LEU 42 HA LEU 42 3.416 -2.875 -0.138 80 1HB LEU 42 2HB LEU 42 5.214 -4.369 -0.993 81 2HB LEU 42 1HB LEU 42 4.607 -5.660 0.045 82 HG LEU 42 HG LEU 42 2.342 -5.299 -1.126 83 1HD1 LEU 42 1HD1 LEU 42 2.809 -3.147 -2.158 84 2HD1 LEU 42 2HD1 LEU 42 2.573 -4.340 -3.435 85 3HD1 LEU 42 3HD1 LEU 42 4.201 -3.815 -3.007 86 1HD2 LEU 42 1HD2 LEU 42 4.786 -6.632 -2.082 87 2HD2 LEU 42 2HD2 LEU 42 3.585 -6.362 -3.344 88 3HD2 LEU 42 3HD2 LEU 42 3.154 -7.275 -1.897 89 H GLY 43 H GLY 43 3.758 -5.227 2.495 90 1HA GLY 43 1HA GLY 43 1.126 -6.319 2.381 91 2HA GLY 43 2HA GLY 43 2.140 -6.285 3.823 92 H GLN 44 H GLN 44 2.357 -3.311 3.719 93 HA GLN 44 HA GLN 44 0.072 -2.680 5.360 94 1HB GLN 44 2HB GLN 44 2.376 -1.681 5.464 95 2HB GLN 44 1HB GLN 44 2.030 -0.839 3.953 96 1HG GLN 44 2HG GLN 44 0.057 0.231 5.045 97 2HG GLN 44 1HG GLN 44 0.507 -0.548 6.562 98 1HE2 GLN 44 1HE2 GLN 44 1.698 0.808 7.895 99 2HE2 GLN 44 2HE2 GLN 44 2.753 2.027 7.364 100 H HIS 45 H HIS 45 0.810 -2.212 1.938 101 HA HIS 45 HA HIS 45 -1.301 -0.336 1.364 102 1HB HIS 45 2HB HIS 45 0.223 -2.371 -0.292 103 2HB HIS 45 1HB HIS 45 -0.852 -1.159 -0.988 104 HD1 HIS 45 1HD HIS 45 2.458 -1.542 0.743 105 HD2 HIS 45 2HD HIS 45 0.139 1.516 -0.883 106 HE1 HIS 45 1HE HIS 45 3.946 0.504 0.632 107 H ILE 46 H ILE 46 -1.099 -3.895 0.978 108 HA ILE 46 HA ILE 46 -3.857 -4.178 0.135 109 HB ILE 46 HB ILE 46 -3.365 -6.537 0.341 110 1HG1 ILE 46 2HG1 ILE 46 -0.912 -5.771 1.948 111 2HG1 ILE 46 1HG1 ILE 46 -2.425 -6.305 2.681 112 1HG2 ILE 46 1HG2 ILE 46 -0.713 -5.225 -0.286 113 2HG2 ILE 46 2HG2 ILE 46 -2.095 -5.128 -1.377 114 3HG2 ILE 46 3HG2 ILE 46 -1.387 -6.695 -0.988 115 1HD1 ILE 46 1HD1 ILE 46 -0.649 -8.115 2.282 116 2HD1 ILE 46 2HD1 ILE 46 -1.005 -7.932 0.564 117 3HD1 ILE 46 3HD1 ILE 46 -2.269 -8.459 1.676 118 H TYR 47 H TYR 47 -2.226 -3.954 3.213 119 HA TYR 47 HA TYR 47 -4.154 -5.170 4.928 120 1HB TYR 47 2HB TYR 47 -1.812 -4.443 5.467 121 2HB TYR 47 1HB TYR 47 -2.364 -2.770 5.418 122 HD1 TYR 47 1HD TYR 47 -3.765 -1.850 7.173 123 HD2 TYR 47 2HD TYR 47 -2.590 -5.981 7.229 124 HE1 TYR 47 1HE TYR 47 -4.537 -2.038 9.523 125 HE2 TYR 47 2HE TYR 47 -3.363 -6.170 9.578 126 HH TYR 47 HH TYR 47 -3.664 -4.401 11.560 127 H GLU 48 H GLU 48 -3.824 -1.822 3.775 128 HA GLU 48 HA GLU 48 -6.023 -0.688 5.200 129 1HB GLU 48 2HB GLU 48 -4.042 0.271 3.720 130 2HB GLU 48 1HB GLU 48 -5.241 0.172 2.431 131 1HG GLU 48 2HG GLU 48 -6.821 1.446 3.975 132 2HG GLU 48 1HG GLU 48 -5.424 1.743 5.012 133 H THR 49 H THR 49 -5.823 -2.421 2.114 134 HA THR 49 HA THR 49 -8.408 -1.871 1.079 135 HB THR 49 HB THR 49 -6.792 -4.439 0.956 136 HG1 THR 49 1HG THR 49 -5.460 -2.846 0.302 137 1HG2 THR 49 1HG2 THR 49 -8.568 -3.267 -1.182 138 2HG2 THR 49 2HG2 THR 49 -9.211 -4.345 0.058 139 3HG2 THR 49 3HG2 THR 49 -7.958 -4.916 -1.043 140 H TYR 50 H TYR 50 -7.337 -4.218 3.514 141 HA TYR 50 HA TYR 50 -9.856 -5.638 3.703 142 1HB TYR 50 1HB TYR 50 -7.494 -5.275 5.572 143 2HB TYR 50 2HB TYR 50 -8.795 -6.433 5.848 144 HD1 TYR 50 1HD TYR 50 -5.710 -5.774 4.109 145 HD2 TYR 50 2HD TYR 50 -9.247 -8.207 4.067 146 HE1 TYR 50 1HE TYR 50 -4.573 -7.397 2.620 147 HE2 TYR 50 2HE TYR 50 -8.111 -9.833 2.577 148 HH TYR 50 HH TYR 50 -4.799 -9.237 1.398 149 H GLY 51 H GLY 51 -8.366 -3.002 5.604 150 1HA GLY 51 1HA GLY 51 -9.340 -1.446 7.068 151 2HA GLY 51 2HA GLY 51 -10.837 -1.701 6.170 152 1HN NH2 52 1H GLY 51 -8.886 -3.886 8.283 153 2HN NH2 52 2H GLY 51 -10.180 -4.302 9.299 Start of MODEL 6 1 1H ACE 33 1H ACE 33 17.393 -1.644 7.901 2 2H ACE 33 2H ACE 33 18.359 -3.064 8.307 3 3H ACE 33 3H ACE 33 16.636 -3.236 7.971 4 H PHE 34 H PHE 34 18.051 -4.869 6.474 5 HA PHE 34 HA PHE 34 19.217 -3.797 4.067 6 1HB PHE 34 2HB PHE 34 18.072 -6.456 4.939 7 2HB PHE 34 1HB PHE 34 18.755 -6.229 3.329 8 HD1 PHE 34 1HD PHE 34 19.500 -6.103 6.966 9 HD2 PHE 34 2HD PHE 34 21.123 -6.051 2.990 10 HE1 PHE 34 1HE PHE 34 21.781 -6.392 7.894 11 HE2 PHE 34 2HE PHE 34 23.405 -6.341 3.917 12 HZ PHE 34 HZ PHE 34 23.734 -6.512 6.369 13 HA PRO 35 HA PRO 35 15.731 -2.480 1.752 14 1HB PRO 35 2HB PRO 35 16.301 -3.512 -0.715 15 2HB PRO 35 1HB PRO 35 17.098 -2.066 -0.065 16 1HG PRO 35 2HG PRO 35 18.067 -4.883 -0.179 17 2HG PRO 35 1HG PRO 35 18.950 -3.377 -0.467 18 1HD PRO 35 2HD PRO 35 19.109 -4.784 1.857 19 2HD PRO 35 1HD PRO 35 19.322 -3.023 1.769 20 H ARG 36 H ARG 36 16.721 -5.821 1.965 21 HA ARG 36 HA ARG 36 14.639 -7.162 0.615 22 1HB ARG 36 2HB ARG 36 16.113 -7.798 3.189 23 2HB ARG 36 1HB ARG 36 15.160 -8.971 2.280 24 1HG ARG 36 2HG ARG 36 16.602 -8.514 0.282 25 2HG ARG 36 1HG ARG 36 17.604 -7.471 1.292 26 1HD ARG 36 2HD ARG 36 17.100 -10.437 1.745 27 2HD ARG 36 1HD ARG 36 18.619 -9.703 1.199 28 HE ARG 36 HE ARG 36 18.246 -8.307 3.462 29 1HH1 ARG 36 1HH2 ARG 36 16.522 -11.141 3.442 30 2HH1 ARG 36 2HH2 ARG 36 17.338 -11.875 4.783 31 1HH2 ARG 36 1HH1 ARG 36 19.826 -9.466 4.933 32 2HH2 ARG 36 2HH1 ARG 36 19.206 -10.928 5.626 33 H ILE 37 H ILE 37 14.630 -5.599 3.789 34 HA ILE 37 HA ILE 37 12.095 -6.685 4.670 35 HB ILE 37 HB ILE 37 12.379 -5.146 6.472 36 1HG1 ILE 37 1HG1 ILE 37 14.265 -3.561 4.703 37 2HG1 ILE 37 2HG1 ILE 37 12.580 -3.131 4.991 38 1HG2 ILE 37 1HG2 ILE 37 15.236 -5.444 5.583 39 2HG2 ILE 37 2HG2 ILE 37 14.279 -6.877 5.958 40 3HG2 ILE 37 3HG2 ILE 37 14.547 -5.648 7.194 41 1HD1 ILE 37 1HD1 ILE 37 14.658 -3.472 7.174 42 2HD1 ILE 37 2HD1 ILE 37 13.001 -2.904 7.379 43 3HD1 ILE 37 3HD1 ILE 37 14.168 -1.918 6.499 44 H TRP 38 H TRP 38 12.884 -4.417 2.268 45 HA TRP 38 HA TRP 38 10.817 -2.475 2.486 46 1HB TRP 38 2HB TRP 38 12.823 -2.476 0.976 47 2HB TRP 38 1HB TRP 38 12.033 -3.712 -0.002 48 HD1 TRP 38 HD TRP 38 11.851 -0.021 0.901 49 HE1 TRP 38 1HE TRP 38 10.249 1.164 -0.735 50 HE3 TRP 38 3HE TRP 38 9.945 -4.072 -1.556 51 HZ2 TRP 38 2HZ TRP 38 8.404 0.484 -2.812 52 HZ3 TRP 38 3HZ TRP 38 8.268 -3.775 -3.357 53 HH2 TRP 38 HH TRP 38 7.496 -1.505 -3.988 54 H LEU 39 H LEU 39 10.783 -5.777 1.207 55 HA LEU 39 HA LEU 39 8.331 -5.716 -0.221 56 1HB LEU 39 2HB LEU 39 10.026 -7.541 -0.186 57 2HB LEU 39 1HB LEU 39 9.537 -7.934 1.463 58 HG LEU 39 HG LEU 39 7.173 -8.233 0.559 59 1HD1 LEU 39 1HD1 LEU 39 8.079 -8.847 -2.128 60 2HD1 LEU 39 2HD1 LEU 39 8.366 -7.149 -1.746 61 3HD1 LEU 39 3HD1 LEU 39 6.740 -7.821 -1.614 62 1HD2 LEU 39 1HD2 LEU 39 7.664 -10.486 -0.349 63 2HD2 LEU 39 2HD2 LEU 39 8.633 -10.146 1.085 64 3HD2 LEU 39 3HD2 LEU 39 9.362 -10.040 -0.518 65 H HIS 40 H HIS 40 8.974 -6.086 3.243 66 HA HIS 40 HA HIS 40 6.385 -6.875 4.110 67 1HB HIS 40 2HB HIS 40 8.557 -5.176 5.377 68 2HB HIS 40 1HB HIS 40 7.182 -5.834 6.266 69 HD1 HIS 40 1HD HIS 40 10.264 -6.921 4.364 70 HD2 HIS 40 2HD HIS 40 7.367 -8.578 6.862 71 HE1 HIS 40 1HE HIS 40 11.050 -9.265 4.918 72 H ASN 41 H ASN 41 7.708 -3.688 3.316 73 HA ASN 41 HA ASN 41 5.680 -2.023 4.388 74 1HB ASN 41 2HB ASN 41 7.406 -1.854 1.902 75 2HB ASN 41 1HB ASN 41 6.451 -0.502 2.510 76 1HD2 ASN 41 1HD2 ASN 41 9.350 -0.450 2.390 77 2HD2 ASN 41 2HD2 ASN 41 9.932 -0.382 3.983 78 H LEU 42 H LEU 42 5.831 -3.742 1.278 79 HA LEU 42 HA LEU 42 3.521 -2.691 0.031 80 1HB LEU 42 2HB LEU 42 4.648 -5.511 0.004 81 2HB LEU 42 1HB LEU 42 3.601 -4.816 -1.232 82 HG LEU 42 HG LEU 42 6.389 -3.885 -0.485 83 1HD1 LEU 42 1HD1 LEU 42 5.352 -5.759 -2.405 84 2HD1 LEU 42 2HD1 LEU 42 7.029 -5.296 -2.115 85 3HD1 LEU 42 3HD1 LEU 42 6.047 -4.381 -3.259 86 1HD2 LEU 42 1HD2 LEU 42 5.174 -1.903 -0.978 87 2HD2 LEU 42 2HD2 LEU 42 4.260 -2.691 -2.264 88 3HD2 LEU 42 3HD2 LEU 42 5.970 -2.330 -2.493 89 H GLY 43 H GLY 43 3.840 -5.195 2.520 90 1HA GLY 43 1HA GLY 43 1.199 -6.242 2.405 91 2HA GLY 43 2HA GLY 43 2.217 -6.252 3.843 92 H GLN 44 H GLN 44 2.428 -3.239 3.707 93 HA GLN 44 HA GLN 44 0.209 -2.633 5.444 94 1HB GLN 44 2HB GLN 44 2.501 -1.589 5.422 95 2HB GLN 44 1HB GLN 44 2.055 -0.762 3.929 96 1HG GLN 44 2HG GLN 44 0.062 0.191 5.176 97 2HG GLN 44 1HG GLN 44 0.768 -0.459 6.655 98 1HE2 GLN 44 1HE2 GLN 44 3.536 0.161 5.217 99 2HE2 GLN 44 2HE2 GLN 44 3.753 1.810 5.552 100 H HIS 45 H HIS 45 0.738 -2.308 1.981 101 HA HIS 45 HA HIS 45 -1.430 -0.455 1.474 102 1HB HIS 45 2HB HIS 45 0.061 -2.471 -0.238 103 2HB HIS 45 1HB HIS 45 -1.037 -1.250 -0.882 104 HD1 HIS 45 1HD HIS 45 2.273 -1.600 0.910 105 HD2 HIS 45 2HD HIS 45 0.023 1.364 -0.970 106 HE1 HIS 45 1HE HIS 45 3.773 0.434 0.731 107 H ILE 46 H ILE 46 -1.131 -4.014 1.154 108 HA ILE 46 HA ILE 46 -3.806 -4.509 0.289 109 HB ILE 46 HB ILE 46 -2.020 -6.157 0.141 110 1HG1 ILE 46 2HG1 ILE 46 -3.825 -7.291 2.259 111 2HG1 ILE 46 1HG1 ILE 46 -4.500 -6.805 0.703 112 1HG2 ILE 46 1HG2 ILE 46 -1.987 -5.897 3.158 113 2HG2 ILE 46 2HG2 ILE 46 -0.664 -5.577 2.040 114 3HG2 ILE 46 3HG2 ILE 46 -1.214 -7.230 2.302 115 1HD1 ILE 46 1HD1 ILE 46 -3.497 -9.270 1.136 116 2HD1 ILE 46 2HD1 ILE 46 -2.019 -8.451 0.633 117 3HD1 ILE 46 3HD1 ILE 46 -3.418 -8.483 -0.440 118 H TYR 47 H TYR 47 -2.404 -4.120 3.518 119 HA TYR 47 HA TYR 47 -4.569 -5.038 5.101 120 1HB TYR 47 2HB TYR 47 -2.244 -4.393 5.813 121 2HB TYR 47 1HB TYR 47 -2.702 -2.702 5.606 122 HD1 TYR 47 1HD TYR 47 -4.172 -1.594 7.168 123 HD2 TYR 47 2HD TYR 47 -3.316 -5.783 7.560 124 HE1 TYR 47 1HE TYR 47 -5.188 -1.588 9.431 125 HE2 TYR 47 2HE TYR 47 -4.331 -5.780 9.824 126 HH TYR 47 HH TYR 47 -5.313 -4.569 11.393 127 H GLU 48 H GLU 48 -3.945 -1.839 3.694 128 HA GLU 48 HA GLU 48 -6.135 -0.433 4.837 129 1HB GLU 48 2HB GLU 48 -4.042 0.250 3.382 130 2HB GLU 48 1HB GLU 48 -5.158 0.033 2.034 131 1HG GLU 48 2HG GLU 48 -6.770 1.561 3.261 132 2HG GLU 48 1HG GLU 48 -5.460 1.911 4.388 133 H THR 49 H THR 49 -5.931 -2.598 2.052 134 HA THR 49 HA THR 49 -8.384 -2.017 0.763 135 HB THR 49 HB THR 49 -7.043 -4.707 1.196 136 HG1 THR 49 1HG THR 49 -5.743 -4.143 -0.484 137 1HG2 THR 49 1HG2 THR 49 -8.043 -5.319 -0.913 138 2HG2 THR 49 2HG2 THR 49 -8.644 -3.680 -1.160 139 3HG2 THR 49 3HG2 THR 49 -9.322 -4.685 0.121 140 H TYR 50 H TYR 50 -7.689 -4.018 3.614 141 HA TYR 50 HA TYR 50 -10.343 -5.137 3.878 142 1HB TYR 50 1HB TYR 50 -8.059 -4.657 5.817 143 2HB TYR 50 2HB TYR 50 -9.486 -5.614 6.205 144 HD1 TYR 50 1HD TYR 50 -10.011 -7.667 4.813 145 HD2 TYR 50 2HD TYR 50 -6.272 -5.569 4.539 146 HE1 TYR 50 1HE TYR 50 -8.977 -9.649 3.742 147 HE2 TYR 50 2HE TYR 50 -5.239 -7.551 3.465 148 HH TYR 50 HH TYR 50 -5.970 -10.307 3.608 149 H GLY 51 H GLY 51 -8.712 -2.306 5.319 150 1HA GLY 51 1HA GLY 51 -11.410 -1.349 6.205 151 2HA GLY 51 2HA GLY 51 -9.955 -1.087 7.168 152 1HN NH2 52 1H GLY 51 -8.206 0.276 6.065 153 2HN NH2 52 2H GLY 51 -8.704 1.504 5.004 Start of MODEL 7 1 1H ACE 33 1H ACE 33 18.684 -3.859 7.849 2 2H ACE 33 2H ACE 33 16.939 -3.737 7.627 3 3H ACE 33 3H ACE 33 17.941 -2.289 7.541 4 H PHE 34 H PHE 34 18.291 -5.516 6.038 5 HA PHE 34 HA PHE 34 19.237 -4.440 3.536 6 1HB PHE 34 2HB PHE 34 18.225 -7.092 4.556 7 2HB PHE 34 1HB PHE 34 18.639 -6.889 2.854 8 HD1 PHE 34 1HD PHE 34 19.995 -6.394 6.305 9 HD2 PHE 34 2HD PHE 34 20.882 -7.022 2.149 10 HE1 PHE 34 1HE PHE 34 22.398 -6.662 6.858 11 HE2 PHE 34 2HE PHE 34 23.284 -7.291 2.702 12 HZ PHE 34 HZ PHE 34 24.043 -7.111 5.057 13 HA PRO 35 HA PRO 35 15.580 -3.169 1.489 14 1HB PRO 35 2HB PRO 35 15.883 -4.313 -0.977 15 2HB PRO 35 1HB PRO 35 16.767 -2.860 -0.469 16 1HG PRO 35 2HG PRO 35 17.668 -5.700 -0.561 17 2HG PRO 35 1HG PRO 35 18.545 -4.226 -0.995 18 1HD PRO 35 2HD PRO 35 18.910 -5.542 1.358 19 2HD PRO 35 1HD PRO 35 19.142 -3.791 1.177 20 H ARG 36 H ARG 36 16.522 -6.520 1.746 21 HA ARG 36 HA ARG 36 14.363 -7.924 0.664 22 1HB ARG 36 2HB ARG 36 16.421 -8.837 1.750 23 2HB ARG 36 1HB ARG 36 15.744 -8.407 3.321 24 1HG ARG 36 2HG ARG 36 15.198 -10.708 3.003 25 2HG ARG 36 1HG ARG 36 13.711 -9.821 2.663 26 1HD ARG 36 2HD ARG 36 14.213 -9.921 0.233 27 2HD ARG 36 1HD ARG 36 15.688 -10.841 0.587 28 HE ARG 36 HE ARG 36 13.973 -12.414 1.848 29 1HH1 ARG 36 1HH2 ARG 36 11.527 -11.119 0.845 30 2HH1 ARG 36 2HH2 ARG 36 11.188 -11.993 -0.611 31 1HH2 ARG 36 1HH1 ARG 36 14.372 -13.346 -0.855 32 2HH2 ARG 36 2HH1 ARG 36 12.798 -13.255 -1.573 33 H ILE 37 H ILE 37 14.501 -6.165 3.742 34 HA ILE 37 HA ILE 37 11.898 -7.054 4.674 35 HB ILE 37 HB ILE 37 12.322 -5.508 6.451 36 1HG1 ILE 37 1HG1 ILE 37 14.377 -4.158 4.677 37 2HG1 ILE 37 2HG1 ILE 37 12.734 -3.560 4.905 38 1HG2 ILE 37 1HG2 ILE 37 14.107 -6.680 7.157 39 2HG2 ILE 37 2HG2 ILE 37 15.160 -5.810 6.041 40 3HG2 ILE 37 3HG2 ILE 37 14.326 -7.270 5.510 41 1HD1 ILE 37 1HD1 ILE 37 15.047 -3.416 6.714 42 2HD1 ILE 37 2HD1 ILE 37 13.570 -3.976 7.499 43 3HD1 ILE 37 3HD1 ILE 37 13.591 -2.420 6.669 44 H TRP 38 H TRP 38 12.835 -4.927 2.217 45 HA TRP 38 HA TRP 38 10.930 -2.807 2.451 46 1HB TRP 38 2HB TRP 38 12.924 -2.879 0.968 47 2HB TRP 38 1HB TRP 38 12.140 -4.126 -0.001 48 HD1 TRP 38 HD TRP 38 12.115 -0.408 0.699 49 HE1 TRP 38 1HE TRP 38 10.543 0.763 -0.975 50 HE3 TRP 38 3HE TRP 38 9.934 -4.488 -1.462 51 HZ2 TRP 38 2HZ TRP 38 8.615 0.061 -2.968 52 HZ3 TRP 38 3HZ TRP 38 8.234 -4.210 -3.243 53 HH2 TRP 38 HH TRP 38 7.572 -1.942 -3.998 54 H LEU 39 H LEU 39 10.622 -6.131 1.351 55 HA LEU 39 HA LEU 39 8.195 -5.850 -0.162 56 1HB LEU 39 2HB LEU 39 9.750 -7.787 -0.207 57 2HB LEU 39 1HB LEU 39 9.281 -8.184 1.447 58 HG LEU 39 HG LEU 39 6.865 -8.258 0.563 59 1HD1 LEU 39 1HD1 LEU 39 6.495 -7.809 -1.612 60 2HD1 LEU 39 2HD1 LEU 39 7.673 -9.030 -2.098 61 3HD1 LEU 39 3HD1 LEU 39 8.198 -7.377 -1.773 62 1HD2 LEU 39 1HD2 LEU 39 7.149 -10.500 0.564 63 2HD2 LEU 39 2HD2 LEU 39 8.877 -10.186 0.717 64 3HD2 LEU 39 3HD2 LEU 39 8.165 -10.438 -0.877 65 H HIS 40 H HIS 40 8.853 -6.182 3.283 66 HA HIS 40 HA HIS 40 6.239 -6.900 4.181 67 1HB HIS 40 2HB HIS 40 8.496 -5.292 5.414 68 2HB HIS 40 1HB HIS 40 7.100 -5.873 6.323 69 HD1 HIS 40 1HD HIS 40 10.066 -7.158 4.345 70 HD2 HIS 40 2HD HIS 40 7.200 -8.586 7.014 71 HE1 HIS 40 1HE HIS 40 10.762 -9.518 4.947 72 H ASN 41 H ASN 41 7.692 -3.764 3.388 73 HA ASN 41 HA ASN 41 5.720 -2.031 4.462 74 1HB ASN 41 1HB ASN 41 7.526 -1.925 2.033 75 2HB ASN 41 2HB ASN 41 6.560 -0.544 2.552 76 1HD2 ASN 41 1HD2 ASN 41 7.507 -2.424 5.258 77 2HD2 ASN 41 2HD2 ASN 41 8.845 -1.493 5.727 78 H LEU 42 H LEU 42 5.835 -3.743 1.344 79 HA LEU 42 HA LEU 42 3.565 -2.573 0.104 80 1HB LEU 42 2HB LEU 42 4.620 -5.419 -0.009 81 2HB LEU 42 1HB LEU 42 3.607 -4.651 -1.231 82 HG LEU 42 HG LEU 42 6.410 -3.821 -0.422 83 1HD1 LEU 42 1HD1 LEU 42 6.983 -5.295 -2.028 84 2HD1 LEU 42 2HD1 LEU 42 6.199 -4.223 -3.188 85 3HD1 LEU 42 3HD1 LEU 42 5.296 -5.557 -2.470 86 1HD2 LEU 42 1HD2 LEU 42 5.692 -2.414 -2.701 87 2HD2 LEU 42 2HD2 LEU 42 5.745 -1.753 -1.066 88 3HD2 LEU 42 3HD2 LEU 42 4.225 -2.362 -1.722 89 H GLY 43 H GLY 43 3.816 -5.011 2.629 90 1HA GLY 43 1HA GLY 43 1.205 -6.127 2.449 91 2HA GLY 43 2HA GLY 43 2.167 -6.058 3.925 92 H GLN 44 H GLN 44 2.322 -3.057 3.700 93 HA GLN 44 HA GLN 44 0.014 -2.434 5.312 94 1HB GLN 44 2HB GLN 44 2.280 -1.356 5.385 95 2HB GLN 44 1HB GLN 44 1.922 -0.597 3.834 96 1HG GLN 44 2HG GLN 44 -0.113 0.439 4.878 97 2HG GLN 44 1HG GLN 44 0.406 -0.213 6.432 98 1HE2 GLN 44 1HE2 GLN 44 1.333 1.467 7.612 99 2HE2 GLN 44 2HE2 GLN 44 2.413 2.618 6.986 100 H HIS 45 H HIS 45 0.727 -2.140 1.872 101 HA HIS 45 HA HIS 45 -1.428 -0.343 1.202 102 1HB HIS 45 2HB HIS 45 0.152 -2.421 -0.344 103 2HB HIS 45 1HB HIS 45 -0.953 -1.275 -1.103 104 HD1 HIS 45 1HD HIS 45 2.282 -1.397 0.858 105 HD2 HIS 45 2HD HIS 45 0.049 1.342 -1.354 106 HE1 HIS 45 1HE HIS 45 3.733 0.663 0.593 107 H ILE 46 H ILE 46 -1.132 -3.912 1.010 108 HA ILE 46 HA ILE 46 -3.873 -4.314 0.164 109 HB ILE 46 HB ILE 46 -3.310 -6.640 0.465 110 1HG1 ILE 46 2HG1 ILE 46 -0.906 -5.773 2.090 111 2HG1 ILE 46 1HG1 ILE 46 -2.431 -6.268 2.825 112 1HG2 ILE 46 1HG2 ILE 46 -1.338 -6.792 -0.839 113 2HG2 ILE 46 2HG2 ILE 46 -0.651 -5.334 -0.122 114 3HG2 ILE 46 3HG2 ILE 46 -2.006 -5.210 -1.245 115 1HD1 ILE 46 1HD1 ILE 46 -0.442 -8.013 2.293 116 2HD1 ILE 46 2HD1 ILE 46 -1.305 -8.086 0.757 117 3HD1 ILE 46 3HD1 ILE 46 -2.144 -8.473 2.258 118 H TYR 47 H TYR 47 -2.261 -3.969 3.257 119 HA TYR 47 HA TYR 47 -4.189 -5.123 4.997 120 1HB TYR 47 1HB TYR 47 -1.866 -4.318 5.522 121 2HB TYR 47 2HB TYR 47 -2.463 -2.662 5.406 122 HD1 TYR 47 1HD TYR 47 -2.665 -5.825 7.317 123 HD2 TYR 47 2HD TYR 47 -3.857 -1.702 7.132 124 HE1 TYR 47 1HE TYR 47 -3.452 -5.947 9.665 125 HE2 TYR 47 2HE TYR 47 -4.644 -1.825 9.482 126 HH TYR 47 HH TYR 47 -4.222 -4.790 11.407 127 H GLU 48 H GLU 48 -3.888 -1.784 3.792 128 HA GLU 48 HA GLU 48 -6.139 -0.659 5.108 129 1HB GLU 48 1HB GLU 48 -4.173 0.293 3.608 130 2HB GLU 48 2HB GLU 48 -5.348 0.095 2.309 131 1HG GLU 48 2HG GLU 48 -6.992 1.390 3.757 132 2HG GLU 48 1HG GLU 48 -5.633 1.768 4.816 133 H THR 49 H THR 49 -5.858 -2.543 2.125 134 HA THR 49 HA THR 49 -8.428 -2.123 1.009 135 HB THR 49 HB THR 49 -6.773 -4.667 1.115 136 HG1 THR 49 1HG THR 49 -6.681 -2.562 -0.775 137 1HG2 THR 49 1HG2 THR 49 -8.250 -5.504 -0.356 138 2HG2 THR 49 2HG2 THR 49 -8.061 -4.092 -1.396 139 3HG2 THR 49 3HG2 THR 49 -9.258 -4.079 -0.101 140 H TYR 50 H TYR 50 -7.366 -4.244 3.643 141 HA TYR 50 HA TYR 50 -9.841 -5.716 3.905 142 1HB TYR 50 1HB TYR 50 -7.539 -5.094 5.780 143 2HB TYR 50 2HB TYR 50 -8.823 -6.239 6.163 144 HD1 TYR 50 1HD TYR 50 -5.794 -5.641 4.229 145 HD2 TYR 50 2HD TYR 50 -9.124 -8.295 4.777 146 HE1 TYR 50 1HE TYR 50 -4.594 -7.405 2.964 147 HE2 TYR 50 2HE TYR 50 -7.927 -10.059 3.509 148 HH TYR 50 HH TYR 50 -4.706 -10.031 2.923 149 H GLY 51 H GLY 51 -8.513 -2.828 5.534 150 1HA GLY 51 2HA GLY 51 -11.098 -1.658 5.957 151 2HA GLY 51 1HA GLY 51 -10.559 -2.443 7.441 152 1HN NH2 52 1H GLY 51 -7.846 -1.896 7.511 153 2HN NH2 52 2H GLY 51 -7.576 -0.220 7.540 Start of MODEL 8 1 1H ACE 33 1H ACE 33 16.930 -0.776 5.780 2 2H ACE 33 2H ACE 33 17.130 0.839 5.101 3 3H ACE 33 3H ACE 33 18.539 -0.064 5.655 4 H PHE 34 H PHE 34 18.081 -2.558 4.530 5 HA PHE 34 HA PHE 34 18.864 -2.117 1.778 6 1HB PHE 34 2HB PHE 34 18.324 -4.410 3.626 7 2HB PHE 34 1HB PHE 34 18.411 -4.747 1.897 8 HD1 PHE 34 1HD PHE 34 20.252 -2.612 4.383 9 HD2 PHE 34 2HD PHE 34 20.505 -5.385 1.113 10 HE1 PHE 34 1HE PHE 34 22.727 -2.507 4.488 11 HE2 PHE 34 2HE PHE 34 22.980 -5.282 1.217 12 HZ PHE 34 HZ PHE 34 24.092 -3.843 2.905 13 HA PRO 35 HA PRO 35 14.957 -1.705 -0.189 14 1HB PRO 35 2HB PRO 35 15.389 -3.212 -2.432 15 2HB PRO 35 1HB PRO 35 16.020 -1.568 -2.234 16 1HG PRO 35 2HG PRO 35 17.398 -4.186 -1.897 17 2HG PRO 35 1HG PRO 35 17.997 -2.681 -2.607 18 1HD PRO 35 2HD PRO 35 18.621 -3.513 -0.086 19 2HD PRO 35 1HD PRO 35 18.576 -1.806 -0.572 20 H ARG 36 H ARG 36 16.459 -4.783 0.545 21 HA ARG 36 HA ARG 36 14.461 -6.635 -0.134 22 1HB ARG 36 2HB ARG 36 16.324 -6.429 2.246 23 2HB ARG 36 1HB ARG 36 15.402 -7.884 1.864 24 1HG ARG 36 2HG ARG 36 16.450 -7.810 -0.448 25 2HG ARG 36 1HG ARG 36 17.517 -6.543 0.161 26 1HD ARG 36 2HD ARG 36 17.279 -9.366 1.269 27 2HD ARG 36 1HD ARG 36 18.660 -8.695 0.380 28 HE ARG 36 HE ARG 36 18.227 -6.896 2.465 29 1HH1 ARG 36 1HH1 ARG 36 20.639 -8.762 2.111 30 2HH1 ARG 36 2HH1 ARG 36 20.647 -9.575 3.641 31 1HH2 ARG 36 1HH2 ARG 36 17.428 -8.592 4.478 32 2HH2 ARG 36 2HH2 ARG 36 18.828 -9.478 4.981 33 H ILE 37 H ILE 37 14.600 -4.454 2.665 34 HA ILE 37 HA ILE 37 12.293 -5.582 4.006 35 HB ILE 37 HB ILE 37 12.594 -3.736 5.487 36 1HG1 ILE 37 1HG1 ILE 37 14.132 -2.319 3.291 37 2HG1 ILE 37 2HG1 ILE 37 12.438 -2.005 3.668 38 1HG2 ILE 37 1HG2 ILE 37 14.653 -4.402 6.109 39 2HG2 ILE 37 2HG2 ILE 37 15.380 -3.566 4.737 40 3HG2 ILE 37 3HG2 ILE 37 14.805 -5.224 4.556 41 1HD1 ILE 37 1HD1 ILE 37 12.950 -1.136 5.801 42 2HD1 ILE 37 2HD1 ILE 37 14.225 -0.483 4.772 43 3HD1 ILE 37 3HD1 ILE 37 14.554 -1.869 5.812 44 H TRP 38 H TRP 38 12.632 -3.677 1.204 45 HA TRP 38 HA TRP 38 10.377 -1.941 1.323 46 1HB TRP 38 2HB TRP 38 12.243 -1.967 -0.354 47 2HB TRP 38 1HB TRP 38 11.539 -3.425 -1.055 48 HD1 TRP 38 HD TRP 38 10.915 0.315 -0.644 49 HE1 TRP 38 1HE TRP 38 9.092 1.042 -2.317 50 HE3 TRP 38 3HE TRP 38 9.485 -4.249 -2.431 51 HZ2 TRP 38 2HZ TRP 38 7.270 -0.154 -4.167 52 HZ3 TRP 38 3HZ TRP 38 7.705 -4.427 -4.145 53 HH2 TRP 38 HH TRP 38 6.596 -2.387 -5.015 54 H LEU 39 H LEU 39 10.618 -5.397 0.755 55 HA LEU 39 HA LEU 39 8.023 -5.774 -0.447 56 1HB LEU 39 2HB LEU 39 10.067 -7.470 0.973 57 2HB LEU 39 1HB LEU 39 8.524 -8.165 0.475 58 HG LEU 39 HG LEU 39 8.982 -7.274 -1.849 59 1HD1 LEU 39 1HD2 LEU 39 11.462 -6.816 -2.262 60 2HD1 LEU 39 2HD2 LEU 39 11.626 -6.655 -0.513 61 3HD1 LEU 39 3HD2 LEU 39 10.579 -5.551 -1.408 62 1HD2 LEU 39 1HD1 LEU 39 9.377 -9.623 -1.345 63 2HD2 LEU 39 2HD1 LEU 39 10.945 -9.241 -0.633 64 3HD2 LEU 39 3HD1 LEU 39 10.690 -9.034 -2.366 65 H HIS 40 H HIS 40 9.197 -5.746 2.895 66 HA HIS 40 HA HIS 40 6.850 -6.757 4.168 67 1HB HIS 40 2HB HIS 40 9.003 -4.793 5.017 68 2HB HIS 40 1HB HIS 40 7.825 -5.488 6.131 69 HD1 HIS 40 1HD HIS 40 10.642 -6.532 3.810 70 HD2 HIS 40 2HD HIS 40 8.402 -8.098 6.958 71 HE1 HIS 40 1HE HIS 40 11.729 -8.732 4.438 72 H ASN 41 H ASN 41 7.749 -3.496 3.097 73 HA ASN 41 HA ASN 41 5.618 -2.041 4.315 74 1HB ASN 41 1HB ASN 41 7.208 -1.688 1.758 75 2HB ASN 41 2HB ASN 41 6.135 -0.449 2.408 76 1HD2 ASN 41 1HD2 ASN 41 9.012 -0.109 2.147 77 2HD2 ASN 41 2HD2 ASN 41 9.649 0.057 3.711 78 H LEU 42 H LEU 42 5.847 -3.732 1.190 79 HA LEU 42 HA LEU 42 3.424 -2.964 -0.004 80 1HB LEU 42 2HB LEU 42 5.253 -4.393 -0.951 81 2HB LEU 42 1HB LEU 42 4.687 -5.725 0.058 82 HG LEU 42 HG LEU 42 2.377 -5.290 -1.037 83 1HD1 LEU 42 1HD1 LEU 42 2.996 -4.467 -3.515 84 2HD1 LEU 42 2HD1 LEU 42 4.222 -3.565 -2.625 85 3HD1 LEU 42 3HD1 LEU 42 2.513 -3.336 -2.251 86 1HD2 LEU 42 1HD2 LEU 42 4.271 -6.271 -3.111 87 2HD2 LEU 42 2HD2 LEU 42 2.817 -7.031 -2.465 88 3HD2 LEU 42 3HD2 LEU 42 4.322 -7.085 -1.547 89 H GLY 43 H GLY 43 3.993 -5.374 2.543 90 1HA GLY 43 1HA GLY 43 1.312 -6.436 2.537 91 2HA GLY 43 2HA GLY 43 2.485 -6.622 3.840 92 H GLN 44 H GLN 44 2.479 -3.414 3.428 93 HA GLN 44 HA GLN 44 0.572 -2.999 5.652 94 1HB GLN 44 2HB GLN 44 2.589 -1.249 4.213 95 2HB GLN 44 1HB GLN 44 1.633 -0.713 5.592 96 1HG GLN 44 2HG GLN 44 2.597 -2.485 6.983 97 2HG GLN 44 1HG GLN 44 3.507 -3.098 5.603 98 1HE2 GLN 44 1HE2 GLN 44 4.830 -2.190 7.984 99 2HE2 GLN 44 2HE2 GLN 44 5.702 -0.783 7.607 100 H HIS 45 H HIS 45 0.707 -2.574 2.205 101 HA HIS 45 HA HIS 45 -1.390 -0.500 2.179 102 1HB HIS 45 2HB HIS 45 -0.849 -0.331 -0.090 103 2HB HIS 45 1HB HIS 45 0.671 -0.908 0.586 104 HD1 HIS 45 1HD HIS 45 1.625 -2.856 -0.633 105 HD2 HIS 45 2HD HIS 45 -2.531 -2.748 -0.949 106 HE1 HIS 45 1HE HIS 45 0.965 -4.794 -2.128 107 H ILE 46 H ILE 46 -1.125 -3.999 1.796 108 HA ILE 46 HA ILE 46 -3.677 -4.452 0.548 109 HB ILE 46 HB ILE 46 -3.234 -6.734 1.074 110 1HG1 ILE 46 2HG1 ILE 46 -1.314 -5.864 3.247 111 2HG1 ILE 46 1HG1 ILE 46 -3.004 -6.253 3.569 112 1HG2 ILE 46 1HG2 ILE 46 -1.141 -5.036 0.178 113 2HG2 ILE 46 2HG2 ILE 46 -1.358 -6.753 -0.158 114 3HG2 ILE 46 3HG2 ILE 46 -0.411 -6.241 1.238 115 1HD1 ILE 46 1HD1 ILE 46 -1.052 -8.129 2.208 116 2HD1 ILE 46 2HD1 ILE 46 -2.707 -8.500 2.689 117 3HD1 ILE 46 3HD1 ILE 46 -1.478 -8.203 3.917 118 H TYR 47 H TYR 47 -2.700 -3.786 3.843 119 HA TYR 47 HA TYR 47 -5.000 -4.757 5.240 120 1HB TYR 47 2HB TYR 47 -2.829 -4.067 6.233 121 2HB TYR 47 1HB TYR 47 -3.176 -2.394 5.797 122 HD1 TYR 47 1HD TYR 47 -4.868 -1.104 6.983 123 HD2 TYR 47 2HD TYR 47 -4.102 -5.207 7.995 124 HE1 TYR 47 1HE TYR 47 -6.159 -0.827 9.081 125 HE2 TYR 47 2HE TYR 47 -5.395 -4.931 10.094 126 HH TYR 47 HH TYR 47 -6.177 -1.993 11.392 127 H GLU 48 H GLU 48 -4.304 -1.642 3.685 128 HA GLU 48 HA GLU 48 -6.685 -0.277 4.517 129 1HB GLU 48 2HB GLU 48 -4.876 -0.003 2.092 130 2HB GLU 48 1HB GLU 48 -6.074 1.198 2.578 131 1HG GLU 48 2HG GLU 48 -4.939 1.426 4.769 132 2HG GLU 48 1HG GLU 48 -3.728 0.251 4.255 133 H THR 49 H THR 49 -5.961 -2.489 1.863 134 HA THR 49 HA THR 49 -8.226 -2.062 0.210 135 HB THR 49 HB THR 49 -6.780 -4.643 0.906 136 HG1 THR 49 1HG THR 49 -5.698 -3.895 -1.164 137 1HG2 THR 49 1HG2 THR 49 -7.745 -4.141 -1.836 138 2HG2 THR 49 2HG2 THR 49 -9.021 -4.341 -0.634 139 3HG2 THR 49 3HG2 THR 49 -7.820 -5.612 -0.867 140 H TYR 50 H TYR 50 -7.833 -3.934 3.192 141 HA TYR 50 HA TYR 50 -10.400 -5.246 3.137 142 1HB TYR 50 1HB TYR 50 -8.465 -4.466 5.340 143 2HB TYR 50 2HB TYR 50 -9.864 -5.505 5.601 144 HD1 TYR 50 1HD TYR 50 -10.024 -7.708 4.439 145 HD2 TYR 50 2HD TYR 50 -6.491 -5.273 4.235 146 HE1 TYR 50 1HE TYR 50 -8.720 -9.664 3.646 147 HE2 TYR 50 2HE TYR 50 -5.189 -7.228 3.441 148 HH TYR 50 HH TYR 50 -5.338 -9.708 3.570 149 H GLY 51 H GLY 51 -9.233 -2.204 4.585 150 1HA GLY 51 2HA GLY 51 -10.423 -0.328 5.343 151 2HA GLY 51 1HA GLY 51 -11.767 -0.894 4.351 152 1HN NH2 52 1H GLY 51 -10.303 -2.762 7.013 153 2HN NH2 52 2H GLY 51 -11.675 -2.732 8.012 Start of MODEL 9 1 1H ACE 33 1H ACE 33 18.743 -7.955 2.729 2 2H ACE 33 2H ACE 33 20.024 -7.353 3.781 3 3H ACE 33 3H ACE 33 19.925 -6.804 2.108 4 H PHE 34 H PHE 34 19.972 -4.665 3.418 5 HA PHE 34 HA PHE 34 17.943 -3.677 5.041 6 1HB PHE 34 2HB PHE 34 19.838 -2.632 3.024 7 2HB PHE 34 1HB PHE 34 18.484 -1.563 3.397 8 HD1 PHE 34 1HD PHE 34 21.748 -2.188 4.271 9 HD2 PHE 34 2HD PHE 34 17.895 -1.719 6.110 10 HE1 PHE 34 1HE PHE 34 22.843 -1.544 6.400 11 HE2 PHE 34 2HE PHE 34 18.990 -1.075 8.241 12 HZ PHE 34 HZ PHE 34 21.464 -0.988 8.385 13 HA PRO 35 HA PRO 35 15.349 -2.520 1.178 14 1HB PRO 35 2HB PRO 35 15.776 -3.974 -1.099 15 2HB PRO 35 1HB PRO 35 16.564 -2.418 -0.778 16 1HG PRO 35 2HG PRO 35 17.624 -5.183 -0.477 17 2HG PRO 35 1HG PRO 35 18.432 -3.724 -1.069 18 1HD PRO 35 2HD PRO 35 18.778 -4.726 1.436 19 2HD PRO 35 1HD PRO 35 18.951 -3.005 1.042 20 H ARG 36 H ARG 36 16.293 -5.596 2.313 21 HA ARG 36 HA ARG 36 14.279 -7.309 1.247 22 1HB ARG 36 2HB ARG 36 16.278 -7.992 2.556 23 2HB ARG 36 1HB ARG 36 15.569 -7.259 3.995 24 1HG ARG 36 2HG ARG 36 13.596 -8.784 3.731 25 2HG ARG 36 1HG ARG 36 14.441 -9.583 2.406 26 1HD ARG 36 2HD ARG 36 15.475 -9.356 5.257 27 2HD ARG 36 1HD ARG 36 14.797 -10.820 4.519 28 HE ARG 36 HE ARG 36 17.249 -9.436 3.475 29 1HH1 ARG 36 1HH1 ARG 36 17.402 -11.902 5.278 30 2HH1 ARG 36 2HH1 ARG 36 17.619 -13.156 4.103 31 1HH2 ARG 36 1HH2 ARG 36 16.622 -11.187 1.428 32 2HH2 ARG 36 2HH2 ARG 36 17.177 -12.752 1.924 33 H ILE 37 H ILE 37 14.201 -4.920 3.838 34 HA ILE 37 HA ILE 37 11.656 -5.719 4.963 35 HB ILE 37 HB ILE 37 11.909 -3.694 6.219 36 1HG1 ILE 37 1HG1 ILE 37 13.865 -2.764 4.095 37 2HG1 ILE 37 2HG1 ILE 37 12.190 -2.223 4.215 38 1HG2 ILE 37 1HG2 ILE 37 14.024 -4.020 7.142 39 2HG2 ILE 37 2HG2 ILE 37 14.784 -4.258 5.568 40 3HG2 ILE 37 3HG2 ILE 37 13.798 -5.538 6.272 41 1HD1 ILE 37 1HD1 ILE 37 14.302 -1.905 6.371 42 2HD1 ILE 37 2HD1 ILE 37 12.629 -1.360 6.486 43 3HD1 ILE 37 3HD1 ILE 37 13.719 -0.621 5.312 44 H TRP 38 H TRP 38 12.538 -4.090 2.068 45 HA TRP 38 HA TRP 38 10.391 -2.269 1.711 46 1HB TRP 38 2HB TRP 38 12.301 -2.265 0.263 47 2HB TRP 38 1HB TRP 38 12.058 -3.957 -0.166 48 HD1 TRP 38 HD TRP 38 11.754 -3.524 -2.727 49 HE1 TRP 38 1HE TRP 38 9.860 -2.472 -4.123 50 HE3 TRP 38 3HE TRP 38 9.055 -1.266 0.986 51 HZ2 TRP 38 2HZ TRP 38 7.518 -0.887 -3.722 52 HZ3 TRP 38 3HZ TRP 38 7.004 0.007 0.445 53 HH2 TRP 38 HH TRP 38 6.230 0.199 -1.902 54 H LEU 39 H LEU 39 10.502 -5.774 1.443 55 HA LEU 39 HA LEU 39 8.040 -6.065 -0.060 56 1HB LEU 39 2HB LEU 39 9.873 -7.752 0.122 57 2HB LEU 39 1HB LEU 39 9.473 -7.966 1.827 58 HG LEU 39 HG LEU 39 7.290 -8.820 1.288 59 1HD1 LEU 39 1HD2 LEU 39 7.955 -7.843 -1.494 60 2HD1 LEU 39 2HD2 LEU 39 6.579 -7.400 -0.484 61 3HD1 LEU 39 3HD2 LEU 39 6.666 -9.011 -1.199 62 1HD2 LEU 39 1HD1 LEU 39 7.857 -10.747 -0.207 63 2HD2 LEU 39 2HD1 LEU 39 9.059 -10.479 1.055 64 3HD2 LEU 39 3HD1 LEU 39 9.382 -9.950 -0.597 65 H HIS 40 H HIS 40 8.854 -5.706 3.340 66 HA HIS 40 HA HIS 40 6.366 -6.610 4.465 67 1HB HIS 40 2HB HIS 40 8.452 -4.609 5.400 68 2HB HIS 40 1HB HIS 40 7.205 -5.310 6.432 69 HD1 HIS 40 1HD HIS 40 7.532 -8.180 4.860 70 HD2 HIS 40 2HD HIS 40 10.470 -6.033 6.896 71 HE1 HIS 40 1HE HIS 40 9.325 -9.849 5.501 72 H ASN 41 H ASN 41 7.502 -3.432 3.327 73 HA ASN 41 HA ASN 41 5.335 -1.834 4.232 74 1HB ASN 41 2HB ASN 41 7.126 -1.705 1.787 75 2HB ASN 41 1HB ASN 41 6.070 -0.385 2.289 76 1HD2 ASN 41 1HD2 ASN 41 8.798 0.158 2.269 77 2HD2 ASN 41 2HD2 ASN 41 9.397 0.230 3.855 78 H LEU 42 H LEU 42 5.726 -3.672 1.194 79 HA LEU 42 HA LEU 42 3.389 -2.889 -0.159 80 1HB LEU 42 2HB LEU 42 5.245 -4.341 -0.983 81 2HB LEU 42 1HB LEU 42 4.637 -5.649 0.032 82 HG LEU 42 HG LEU 42 2.405 -5.368 -1.176 83 1HD1 LEU 42 1HD1 LEU 42 2.406 -4.202 -3.292 84 2HD1 LEU 42 2HD1 LEU 42 4.136 -3.882 -3.172 85 3HD1 LEU 42 3HD1 LEU 42 3.013 -3.084 -2.070 86 1HD2 LEU 42 1HD2 LEU 42 4.917 -6.545 -2.137 87 2HD2 LEU 42 2HD2 LEU 42 3.747 -6.259 -3.425 88 3HD2 LEU 42 3HD2 LEU 42 3.307 -7.260 -2.041 89 H GLY 43 H GLY 43 3.777 -5.270 2.454 90 1HA GLY 43 1HA GLY 43 1.133 -6.358 2.323 91 2HA GLY 43 2HA GLY 43 2.173 -6.395 3.747 92 H GLN 44 H GLN 44 2.422 -3.410 3.705 93 HA GLN 44 HA GLN 44 0.182 -2.806 5.426 94 1HB GLN 44 2HB GLN 44 2.335 -1.138 4.094 95 2HB GLN 44 1HB GLN 44 1.236 -0.517 5.327 96 1HG GLN 44 2HG GLN 44 3.202 -2.805 5.647 97 2HG GLN 44 1HG GLN 44 3.315 -1.213 6.396 98 1HE2 GLN 44 1HE2 GLN 44 2.594 -4.272 7.248 99 2HE2 GLN 44 2HE2 GLN 44 1.382 -4.003 8.405 100 H HIS 45 H HIS 45 0.848 -2.304 2.003 101 HA HIS 45 HA HIS 45 -1.226 -0.344 1.529 102 1HB HIS 45 2HB HIS 45 0.213 -2.357 -0.231 103 2HB HIS 45 1HB HIS 45 -0.832 -1.078 -0.852 104 HD1 HIS 45 1HD HIS 45 2.469 -1.630 0.875 105 HD2 HIS 45 2HD HIS 45 0.283 1.530 -0.742 106 HE1 HIS 45 1HE HIS 45 4.033 0.361 0.807 107 H ILE 46 H ILE 46 -1.085 -3.883 0.939 108 HA ILE 46 HA ILE 46 -3.837 -4.132 0.148 109 HB ILE 46 HB ILE 46 -3.388 -6.496 0.379 110 1HG1 ILE 46 2HG1 ILE 46 -0.940 -5.787 2.015 111 2HG1 ILE 46 1HG1 ILE 46 -2.484 -6.233 2.743 112 1HG2 ILE 46 1HG2 ILE 46 -0.653 -6.128 -0.240 113 2HG2 ILE 46 2HG2 ILE 46 -1.483 -4.678 -0.807 114 3HG2 ILE 46 3HG2 ILE 46 -1.996 -6.268 -1.375 115 1HD1 ILE 46 1HD1 ILE 46 -1.601 -8.074 0.625 116 2HD1 ILE 46 2HD1 ILE 46 -2.218 -8.430 2.238 117 3HD1 ILE 46 3HD1 ILE 46 -0.517 -8.020 2.015 118 H TYR 47 H TYR 47 -2.217 -3.953 3.246 119 HA TYR 47 HA TYR 47 -4.156 -5.087 4.972 120 1HB TYR 47 2HB TYR 47 -1.821 -4.272 5.486 121 2HB TYR 47 1HB TYR 47 -2.443 -2.623 5.417 122 HD1 TYR 47 1HD TYR 47 -3.850 -1.730 7.171 123 HD2 TYR 47 2HD TYR 47 -2.567 -5.829 7.253 124 HE1 TYR 47 1HE TYR 47 -4.611 -1.921 9.524 125 HE2 TYR 47 2HE TYR 47 -3.328 -6.020 9.606 126 HH TYR 47 HH TYR 47 -5.395 -3.971 11.041 127 H GLU 48 H GLU 48 -3.836 -1.739 3.805 128 HA GLU 48 HA GLU 48 -6.102 -0.623 5.107 129 1HB GLU 48 2HB GLU 48 -4.116 0.364 3.682 130 2HB GLU 48 1HB GLU 48 -5.230 0.151 2.331 131 1HG GLU 48 1HG GLU 48 -6.952 1.416 3.740 132 2HG GLU 48 2HG GLU 48 -5.615 1.842 4.809 133 H THR 49 H THR 49 -5.779 -2.447 2.090 134 HA THR 49 HA THR 49 -8.337 -2.006 0.954 135 HB THR 49 HB THR 49 -6.672 -4.546 1.027 136 HG1 THR 49 1HG THR 49 -5.526 -3.655 -0.594 137 1HG2 THR 49 1HG2 THR 49 -7.687 -4.933 -1.201 138 2HG2 THR 49 2HG2 THR 49 -8.677 -3.490 -0.984 139 3HG2 THR 49 3HG2 THR 49 -8.902 -4.883 0.076 140 H TYR 50 H TYR 50 -7.308 -4.155 3.573 141 HA TYR 50 HA TYR 50 -9.780 -5.646 3.783 142 1HB TYR 50 1HB TYR 50 -7.502 -5.030 5.689 143 2HB TYR 50 2HB TYR 50 -8.786 -6.182 6.053 144 HD1 TYR 50 1HD TYR 50 -9.067 -8.233 4.658 145 HD2 TYR 50 2HD TYR 50 -5.754 -5.552 4.137 146 HE1 TYR 50 1HE TYR 50 -7.857 -9.977 3.374 147 HE2 TYR 50 2HE TYR 50 -4.543 -7.294 2.852 148 HH TYR 50 HH TYR 50 -5.905 -10.553 2.446 149 H GLY 51 H GLY 51 -8.473 -2.803 5.515 150 1HA GLY 51 1HA GLY 51 -10.370 -1.063 5.886 151 2HA GLY 51 2HA GLY 51 -11.178 -2.393 6.714 152 1HN NH2 52 1H GLY 51 -11.075 -1.018 8.714 153 2HN NH2 52 2H GLY 51 -9.626 -0.941 9.596 Start of MODEL 10 1 1H ACE 33 1H ACE 33 21.495 -2.242 4.778 2 2H ACE 33 2H ACE 33 20.005 -1.320 4.570 3 3H ACE 33 3H ACE 33 20.831 -1.992 3.164 4 H PHE 34 H PHE 34 18.071 -2.432 4.524 5 HA PHE 34 HA PHE 34 18.217 -5.429 4.493 6 1HB PHE 34 2HB PHE 34 16.553 -3.565 6.216 7 2HB PHE 34 1HB PHE 34 16.433 -5.324 6.234 8 HD1 PHE 34 1HD PHE 34 18.971 -2.581 6.569 9 HD2 PHE 34 2HD PHE 34 17.772 -6.546 7.711 10 HE1 PHE 34 1HE PHE 34 20.869 -2.696 8.163 11 HE2 PHE 34 2HE PHE 34 19.669 -6.660 9.305 12 HZ PHE 34 HZ PHE 34 21.217 -4.735 9.530 13 HA PRO 35 HA PRO 35 15.308 -3.592 1.284 14 1HB PRO 35 2HB PRO 35 15.914 -5.453 -0.629 15 2HB PRO 35 1HB PRO 35 16.798 -3.925 -0.448 16 1HG PRO 35 2HG PRO 35 17.525 -6.664 0.475 17 2HG PRO 35 1HG PRO 35 18.549 -5.401 -0.224 18 1HD PRO 35 2HD PRO 35 18.446 -5.944 2.443 19 2HD PRO 35 1HD PRO 35 18.828 -4.339 1.787 20 H ARG 36 H ARG 36 15.891 -6.614 2.862 21 HA ARG 36 HA ARG 36 13.773 -8.213 1.818 22 1HB ARG 36 2HB ARG 36 15.051 -8.056 4.564 23 2HB ARG 36 1HB ARG 36 14.051 -9.397 4.004 24 1HG ARG 36 2HG ARG 36 15.638 -9.750 2.116 25 2HG ARG 36 1HG ARG 36 16.658 -8.465 2.765 26 1HD ARG 36 2HD ARG 36 15.918 -11.038 4.210 27 2HD ARG 36 1HD ARG 36 17.508 -10.642 3.529 28 HE ARG 36 HE ARG 36 16.900 -8.471 5.161 29 1HH1 ARG 36 1HH2 ARG 36 15.510 -11.016 6.467 30 2HH1 ARG 36 2HH2 ARG 36 16.662 -11.333 7.721 31 1HH2 ARG 36 1HH1 ARG 36 19.087 -9.247 6.381 32 2HH2 ARG 36 2HH1 ARG 36 18.688 -10.332 7.672 33 H ILE 37 H ILE 37 13.800 -5.706 4.325 34 HA ILE 37 HA ILE 37 11.108 -6.234 5.268 35 HB ILE 37 HB ILE 37 11.478 -4.294 6.593 36 1HG1 ILE 37 1HG1 ILE 37 13.604 -3.430 4.612 37 2HG1 ILE 37 2HG1 ILE 37 11.958 -2.801 4.632 38 1HG2 ILE 37 1HG2 ILE 37 13.201 -6.245 6.753 39 2HG2 ILE 37 2HG2 ILE 37 13.565 -4.728 7.576 40 3HG2 ILE 37 3HG2 ILE 37 14.325 -5.096 6.029 41 1HD1 ILE 37 1HD1 ILE 37 14.193 -2.330 6.551 42 2HD1 ILE 37 2HD1 ILE 37 12.562 -2.417 7.216 43 3HD1 ILE 37 3HD1 ILE 37 12.948 -1.219 5.981 44 H TRP 38 H TRP 38 12.341 -4.762 2.432 45 HA TRP 38 HA TRP 38 10.462 -2.700 1.927 46 1HB TRP 38 2HB TRP 38 12.416 -2.981 0.565 47 2HB TRP 38 1HB TRP 38 11.971 -4.638 0.159 48 HD1 TRP 38 HD TRP 38 11.829 -4.225 -2.422 49 HE1 TRP 38 1HE TRP 38 10.145 -2.972 -3.914 50 HE3 TRP 38 3HE TRP 38 9.291 -1.563 1.134 51 HZ2 TRP 38 2HZ TRP 38 8.011 -1.092 -3.643 52 HZ3 TRP 38 3HZ TRP 38 7.445 -0.050 0.485 53 HH2 TRP 38 HH TRP 38 6.800 0.189 -1.897 54 H LEU 39 H LEU 39 10.170 -6.207 1.638 55 HA LEU 39 HA LEU 39 7.736 -6.213 0.080 56 1HB LEU 39 2HB LEU 39 9.337 -8.110 0.343 57 2HB LEU 39 1HB LEU 39 8.860 -8.247 2.034 58 HG LEU 39 HG LEU 39 6.627 -8.875 1.452 59 1HD1 LEU 39 1HD2 LEU 39 7.411 -7.815 -1.252 60 2HD1 LEU 39 2HD2 LEU 39 5.978 -7.451 -0.290 61 3HD1 LEU 39 3HD2 LEU 39 6.113 -9.002 -1.118 62 1HD2 LEU 39 1HD1 LEU 39 7.780 -10.402 -0.759 63 2HD2 LEU 39 2HD1 LEU 39 7.181 -10.969 0.800 64 3HD2 LEU 39 3HD1 LEU 39 8.835 -10.372 0.654 65 H HIS 40 H HIS 40 8.471 -5.960 3.515 66 HA HIS 40 HA HIS 40 5.870 -6.512 4.572 67 1HB HIS 40 2HB HIS 40 8.168 -4.746 5.471 68 2HB HIS 40 1HB HIS 40 6.780 -5.129 6.490 69 HD1 HIS 40 1HD HIS 40 9.702 -6.065 7.177 70 HD2 HIS 40 2HD HIS 40 6.850 -8.403 5.233 71 HE1 HIS 40 1HE HIS 40 10.375 -8.478 7.556 72 H ASN 41 H ASN 41 7.426 -3.453 3.571 73 HA ASN 41 HA ASN 41 5.370 -1.634 4.198 74 1HB ASN 41 2HB ASN 41 7.760 -1.373 3.171 75 2HB ASN 41 1HB ASN 41 6.938 -1.539 1.620 76 1HD2 ASN 41 1HD2 ASN 41 8.155 0.908 2.106 77 2HD2 ASN 41 2HD2 ASN 41 6.988 2.096 2.433 78 H LEU 42 H LEU 42 5.821 -3.526 1.196 79 HA LEU 42 HA LEU 42 3.543 -2.650 -0.231 80 1HB LEU 42 2HB LEU 42 5.433 -4.093 -1.028 81 2HB LEU 42 1HB LEU 42 4.759 -5.429 -0.095 82 HG LEU 42 HG LEU 42 2.595 -5.081 -1.394 83 1HD1 LEU 42 1HD1 LEU 42 2.587 -3.731 -3.332 84 2HD1 LEU 42 2HD1 LEU 42 4.346 -3.616 -3.365 85 3HD1 LEU 42 3HD1 LEU 42 3.429 -2.738 -2.142 86 1HD2 LEU 42 1HD2 LEU 42 3.770 -6.009 -3.585 87 2HD2 LEU 42 2HD2 LEU 42 3.750 -6.967 -2.103 88 3HD2 LEU 42 3HD2 LEU 42 5.189 -6.047 -2.540 89 H GLY 43 H GLY 43 3.858 -5.103 2.317 90 1HA GLY 43 1HA GLY 43 1.216 -6.186 2.101 91 2HA GLY 43 2HA GLY 43 2.224 -6.257 3.547 92 H GLN 44 H GLN 44 2.502 -3.307 3.650 93 HA GLN 44 HA GLN 44 0.260 -2.697 5.331 94 1HB GLN 44 2HB GLN 44 2.302 -0.945 3.923 95 2HB GLN 44 1HB GLN 44 1.271 -0.417 5.253 96 1HG GLN 44 2HG GLN 44 2.260 -2.107 6.725 97 2HG GLN 44 1HG GLN 44 3.239 -2.723 5.394 98 1HE2 GLN 44 1HE2 GLN 44 4.453 -1.712 7.783 99 2HE2 GLN 44 2HE2 GLN 44 5.284 -0.283 7.399 100 H HIS 45 H HIS 45 0.869 -2.247 1.899 101 HA HIS 45 HA HIS 45 -1.245 -0.335 1.401 102 1HB HIS 45 2HB HIS 45 0.190 -2.362 -0.348 103 2HB HIS 45 1HB HIS 45 -0.831 -1.062 -0.962 104 HD1 HIS 45 1HD HIS 45 2.417 -1.637 0.897 105 HD2 HIS 45 2HD HIS 45 0.384 1.472 -0.997 106 HE1 HIS 45 1HE HIS 45 4.035 0.309 0.775 107 H ILE 46 H ILE 46 -1.029 -3.890 0.993 108 HA ILE 46 HA ILE 46 -3.791 -4.191 0.179 109 HB ILE 46 HB ILE 46 -3.268 -6.535 0.311 110 1HG1 ILE 46 2HG1 ILE 46 -0.835 -5.854 1.977 111 2HG1 ILE 46 1HG1 ILE 46 -2.373 -6.331 2.694 112 1HG2 ILE 46 1HG2 ILE 46 -1.493 -6.580 -1.156 113 2HG2 ILE 46 2HG2 ILE 46 -0.509 -5.504 -0.163 114 3HG2 ILE 46 3HG2 ILE 46 -1.801 -4.844 -1.167 115 1HD1 ILE 46 1HD1 ILE 46 -0.507 -7.952 0.976 116 2HD1 ILE 46 2HD1 ILE 46 -2.221 -8.361 1.052 117 3HD1 ILE 46 3HD1 ILE 46 -1.244 -8.379 2.520 118 H TYR 47 H TYR 47 -2.115 -4.119 3.274 119 HA TYR 47 HA TYR 47 -4.083 -5.319 4.940 120 1HB TYR 47 2HB TYR 47 -1.761 -4.718 5.574 121 2HB TYR 47 1HB TYR 47 -2.188 -3.009 5.478 122 HD1 TYR 47 1HD TYR 47 -3.640 -1.972 7.147 123 HD2 TYR 47 2HD TYR 47 -2.629 -6.141 7.368 124 HE1 TYR 47 1HE TYR 47 -4.498 -2.058 9.473 125 HE2 TYR 47 2HE TYR 47 -3.487 -6.226 9.693 126 HH TYR 47 HH TYR 47 -5.295 -3.622 11.080 127 H GLU 48 H GLU 48 -3.745 -1.991 3.755 128 HA GLU 48 HA GLU 48 -5.927 -0.878 5.277 129 1HB GLU 48 2HB GLU 48 -4.574 -0.096 2.673 130 2HB GLU 48 1HB GLU 48 -5.689 0.945 3.559 131 1HG GLU 48 2HG GLU 48 -4.204 0.859 5.530 132 2HG GLU 48 1HG GLU 48 -3.090 -0.183 4.645 133 H THR 49 H THR 49 -5.680 -2.554 2.186 134 HA THR 49 HA THR 49 -8.223 -1.904 1.080 135 HB THR 49 HB THR 49 -6.636 -4.490 0.936 136 HG1 THR 49 1HG THR 49 -6.037 -3.178 -1.113 137 1HG2 THR 49 1HG2 THR 49 -8.956 -3.367 -0.535 138 2HG2 THR 49 2HG2 THR 49 -8.504 -5.049 -0.258 139 3HG2 THR 49 3HG2 THR 49 -7.702 -4.117 -1.522 140 H TYR 50 H TYR 50 -7.241 -4.407 3.408 141 HA TYR 50 HA TYR 50 -9.762 -5.782 3.543 142 1HB TYR 50 2HB TYR 50 -7.475 -5.410 5.505 143 2HB TYR 50 1HB TYR 50 -8.776 -6.578 5.723 144 HD1 TYR 50 1HD TYR 50 -5.639 -5.870 4.076 145 HD2 TYR 50 2HD TYR 50 -9.131 -8.366 3.949 146 HE1 TYR 50 1HE TYR 50 -4.435 -7.478 2.623 147 HE2 TYR 50 2HE TYR 50 -7.927 -9.975 2.494 148 HH TYR 50 HH TYR 50 -5.839 -10.588 1.766 149 H GLY 51 H GLY 51 -8.367 -3.102 5.444 150 1HA GLY 51 2HA GLY 51 -10.241 -2.769 7.452 151 2HA GLY 51 1HA GLY 51 -9.496 -1.399 6.629 152 1HN NH2 52 1H GLY 51 -12.433 -2.149 7.546 153 2HN NH2 52 2H GLY 51 -13.360 -1.717 6.190 Start of MODEL 11 1 1H ACE 33 1H ACE 33 20.494 -1.061 3.770 2 2H ACE 33 2H ACE 33 21.700 -1.830 4.802 3 3H ACE 33 3H ACE 33 20.129 -1.381 5.465 4 H PHE 34 H PHE 34 18.284 -2.671 4.899 5 HA PHE 34 HA PHE 34 18.941 -5.280 3.573 6 1HB PHE 34 2HB PHE 34 18.483 -4.835 6.255 7 2HB PHE 34 1HB PHE 34 16.879 -5.288 5.675 8 HD1 PHE 34 1HD PHE 34 20.282 -6.367 4.545 9 HD2 PHE 34 2HD PHE 34 16.536 -7.528 6.296 10 HE1 PHE 34 1HE PHE 34 20.983 -8.744 4.467 11 HE2 PHE 34 2HE PHE 34 17.237 -9.905 6.219 12 HZ PHE 34 HZ PHE 34 19.460 -10.513 5.305 13 HA PRO 35 HA PRO 35 15.326 -2.955 1.647 14 1HB PRO 35 2HB PRO 35 15.873 -3.858 -0.877 15 2HB PRO 35 1HB PRO 35 16.567 -2.368 -0.212 16 1HG PRO 35 2HG PRO 35 17.777 -5.078 -0.473 17 2HG PRO 35 1HG PRO 35 18.510 -3.488 -0.728 18 1HD PRO 35 2HD PRO 35 18.883 -4.970 1.528 19 2HD PRO 35 1HD PRO 35 18.953 -3.197 1.500 20 H ARG 36 H ARG 36 16.578 -6.197 1.780 21 HA ARG 36 HA ARG 36 14.632 -7.715 0.440 22 1HB ARG 36 2HB ARG 36 16.072 -8.203 3.064 23 2HB ARG 36 1HB ARG 36 15.258 -9.457 2.127 24 1HG ARG 36 2HG ARG 36 16.732 -8.936 0.194 25 2HG ARG 36 1HG ARG 36 17.570 -7.735 1.178 26 1HD ARG 36 2HD ARG 36 18.882 -9.767 1.285 27 2HD ARG 36 1HD ARG 36 18.044 -9.629 2.841 28 HE ARG 36 HE ARG 36 16.446 -11.047 0.869 29 1HH1 ARG 36 1HH2 ARG 36 19.190 -12.397 0.959 30 2HH1 ARG 36 2HH2 ARG 36 18.920 -13.610 2.166 31 1HH2 ARG 36 1HH1 ARG 36 16.017 -12.146 3.369 32 2HH2 ARG 36 2HH1 ARG 36 17.124 -13.467 3.531 33 H ILE 37 H ILE 37 14.478 -6.301 3.699 34 HA ILE 37 HA ILE 37 11.903 -7.485 4.347 35 HB ILE 37 HB ILE 37 12.122 -6.187 6.341 36 1HG1 ILE 37 1HG1 ILE 37 14.163 -4.458 4.919 37 2HG1 ILE 37 2HG1 ILE 37 12.466 -4.014 5.097 38 1HG2 ILE 37 1HG2 ILE 37 14.082 -7.849 5.556 39 2HG2 ILE 37 2HG2 ILE 37 14.142 -6.985 7.092 40 3HG2 ILE 37 3HG2 ILE 37 15.025 -6.364 5.697 41 1HD1 ILE 37 1HD1 ILE 37 14.353 -3.308 6.895 42 2HD1 ILE 37 2HD1 ILE 37 13.876 -4.865 7.573 43 3HD1 ILE 37 3HD1 ILE 37 12.672 -3.598 7.344 44 H TRP 38 H TRP 38 12.722 -5.142 2.125 45 HA TRP 38 HA TRP 38 10.829 -3.057 2.509 46 1HB TRP 38 2HB TRP 38 12.721 -3.125 0.887 47 2HB TRP 38 1HB TRP 38 11.841 -4.324 -0.058 48 HD1 TRP 38 HD TRP 38 11.763 -0.637 0.939 49 HE1 TRP 38 1HE TRP 38 10.174 0.620 -0.655 50 HE3 TRP 38 3HE TRP 38 9.787 -4.584 -1.631 51 HZ2 TRP 38 2HZ TRP 38 8.312 0.030 -2.744 52 HZ3 TRP 38 3HZ TRP 38 8.110 -4.208 -3.415 53 HH2 TRP 38 HH TRP 38 7.370 -1.908 -3.975 54 H LEU 39 H LEU 39 10.474 -6.297 1.118 55 HA LEU 39 HA LEU 39 7.993 -6.073 -0.182 56 1HB LEU 39 2HB LEU 39 9.513 -8.051 -0.099 57 2HB LEU 39 1HB LEU 39 9.009 -8.336 1.567 58 HG LEU 39 HG LEU 39 6.614 -8.426 0.688 59 1HD1 LEU 39 1HD1 LEU 39 7.670 -7.402 -1.589 60 2HD1 LEU 39 2HD1 LEU 39 6.174 -8.334 -1.558 61 3HD1 LEU 39 3HD1 LEU 39 7.692 -9.119 -1.991 62 1HD2 LEU 39 1HD2 LEU 39 6.954 -10.751 -0.286 63 2HD2 LEU 39 2HD2 LEU 39 7.699 -10.483 1.290 64 3HD2 LEU 39 3HD2 LEU 39 8.689 -10.459 -0.168 65 H HIS 40 H HIS 40 8.676 -6.415 3.281 66 HA HIS 40 HA HIS 40 6.048 -6.897 4.230 67 1HB HIS 40 2HB HIS 40 8.405 -5.364 5.371 68 2HB HIS 40 1HB HIS 40 6.987 -5.814 6.318 69 HD1 HIS 40 1HD HIS 40 10.016 -7.260 4.645 70 HD2 HIS 40 2HD HIS 40 6.764 -8.604 6.879 71 HE1 HIS 40 1HE HIS 40 10.527 -9.657 5.283 72 H ASN 41 H ASN 41 7.672 -3.888 3.299 73 HA ASN 41 HA ASN 41 5.870 -1.959 4.278 74 1HB ASN 41 1HB ASN 41 8.105 -1.835 2.928 75 2HB ASN 41 2HB ASN 41 7.059 -1.851 1.510 76 1HD2 ASN 41 1HD2 ASN 41 8.347 0.465 1.603 77 2HD2 ASN 41 2HD2 ASN 41 7.423 1.721 2.276 78 H LEU 42 H LEU 42 5.717 -3.819 1.236 79 HA LEU 42 HA LEU 42 3.416 -2.688 0.070 80 1HB LEU 42 2HB LEU 42 4.293 -5.596 0.191 81 2HB LEU 42 1HB LEU 42 3.223 -4.900 -1.026 82 HG LEU 42 HG LEU 42 6.129 -4.184 -0.542 83 1HD1 LEU 42 1HD1 LEU 42 5.544 -4.849 -3.236 84 2HD1 LEU 42 2HD1 LEU 42 4.773 -6.078 -2.234 85 3HD1 LEU 42 3HD1 LEU 42 6.504 -5.779 -2.085 86 1HD2 LEU 42 1HD2 LEU 42 3.938 -2.683 -1.753 87 2HD2 LEU 42 2HD2 LEU 42 5.249 -2.973 -2.896 88 3HD2 LEU 42 3HD2 LEU 42 5.575 -2.155 -1.368 89 H GLY 43 H GLY 43 3.675 -5.138 2.630 90 1HA GLY 43 1HA GLY 43 0.993 -5.958 2.804 91 2HA GLY 43 2HA GLY 43 2.082 -5.875 4.187 92 H GLN 44 H GLN 44 2.339 -2.851 3.463 93 HA GLN 44 HA GLN 44 0.320 -1.944 5.341 94 1HB GLN 44 2HB GLN 44 2.617 -1.011 5.072 95 2HB GLN 44 1HB GLN 44 2.163 -0.426 3.471 96 1HG GLN 44 2HG GLN 44 0.371 0.942 4.482 97 2HG GLN 44 1HG GLN 44 0.835 0.363 6.082 98 1HE2 GLN 44 1HE2 GLN 44 0.964 3.101 5.710 99 2HE2 GLN 44 2HE2 GLN 44 2.577 3.611 5.577 100 H HIS 45 H HIS 45 0.706 -1.800 1.815 101 HA HIS 45 HA HIS 45 -1.627 -0.094 1.423 102 1HB HIS 45 2HB HIS 45 -0.976 -0.188 -0.822 103 2HB HIS 45 1HB HIS 45 0.549 -0.530 -0.008 104 HD1 HIS 45 1HD HIS 45 1.683 -2.670 -0.627 105 HD2 HIS 45 2HD HIS 45 -2.348 -2.698 -1.685 106 HE1 HIS 45 1HE HIS 45 1.299 -4.811 -1.924 107 H ILE 46 H ILE 46 -0.952 -3.578 1.009 108 HA ILE 46 HA ILE 46 -3.578 -4.301 0.090 109 HB ILE 46 HB ILE 46 -1.517 -5.655 -0.160 110 1HG1 ILE 46 2HG1 ILE 46 -3.407 -7.208 1.606 111 2HG1 ILE 46 1HG1 ILE 46 -3.898 -6.662 0.002 112 1HG2 ILE 46 1HG2 ILE 46 -1.773 -6.176 2.815 113 2HG2 ILE 46 2HG2 ILE 46 -0.623 -5.033 2.123 114 3HG2 ILE 46 3HG2 ILE 46 -0.501 -6.749 1.737 115 1HD1 ILE 46 1HD1 ILE 46 -1.251 -8.006 0.191 116 2HD1 ILE 46 2HD1 ILE 46 -2.479 -8.115 -1.070 117 3HD1 ILE 46 3HD1 ILE 46 -2.668 -9.031 0.425 118 H TYR 47 H TYR 47 -2.091 -4.265 3.337 119 HA TYR 47 HA TYR 47 -4.172 -5.427 4.836 120 1HB TYR 47 2HB TYR 47 -1.909 -4.797 5.636 121 2HB TYR 47 1HB TYR 47 -2.355 -3.096 5.526 122 HD1 TYR 47 1HD TYR 47 -3.829 -2.070 7.150 123 HD2 TYR 47 2HD TYR 47 -2.966 -6.274 7.314 124 HE1 TYR 47 1HE TYR 47 -4.826 -2.186 9.418 125 HE2 TYR 47 2HE TYR 47 -3.961 -6.390 9.582 126 HH TYR 47 HH TYR 47 -5.960 -4.234 10.821 127 H GLU 48 H GLU 48 -3.818 -2.084 3.701 128 HA GLU 48 HA GLU 48 -6.033 -0.950 5.105 129 1HB GLU 48 2HB GLU 48 -4.601 -0.322 2.512 130 2HB GLU 48 1HB GLU 48 -5.844 0.732 3.185 131 1HG GLU 48 2HG GLU 48 -4.530 0.871 5.301 132 2HG GLU 48 1HG GLU 48 -3.263 -0.098 4.548 133 H THR 49 H THR 49 -5.819 -2.755 2.067 134 HA THR 49 HA THR 49 -8.387 -2.162 0.988 135 HB THR 49 HB THR 49 -6.753 -4.721 0.908 136 HG1 THR 49 1HG THR 49 -5.966 -2.443 0.215 137 1HG2 THR 49 1HG2 THR 49 -8.777 -5.316 -0.071 138 2HG2 THR 49 2HG2 THR 49 -7.893 -4.696 -1.465 139 3HG2 THR 49 3HG2 THR 49 -9.090 -3.682 -0.659 140 H TYR 50 H TYR 50 -7.365 -4.482 3.467 141 HA TYR 50 HA TYR 50 -9.899 -5.879 3.644 142 1HB TYR 50 1HB TYR 50 -7.470 -5.558 5.425 143 2HB TYR 50 2HB TYR 50 -8.825 -6.602 5.856 144 HD1 TYR 50 1HD TYR 50 -5.878 -6.207 3.762 145 HD2 TYR 50 2HD TYR 50 -9.451 -8.517 4.354 146 HE1 TYR 50 1HE TYR 50 -4.962 -7.996 2.311 147 HE2 TYR 50 2HE TYR 50 -8.534 -10.306 2.902 148 HH TYR 50 HH TYR 50 -5.902 -9.859 0.877 149 H GLY 51 H GLY 51 -8.413 -3.178 5.438 150 1HA GLY 51 1HA GLY 51 -9.464 -1.478 6.688 151 2HA GLY 51 2HA GLY 51 -11.018 -2.102 6.137 152 1HN NH2 52 1H GLY 51 -12.069 -3.745 7.448 153 2HN NH2 52 2H GLY 51 -11.531 -4.119 9.014 Start of MODEL 12 1 1H ACE 33 1H ACE 33 21.708 -4.218 4.775 2 2H ACE 33 2H ACE 33 22.277 -4.316 3.109 3 3H ACE 33 3H ACE 33 22.135 -5.781 4.079 4 H PHE 34 H PHE 34 20.362 -6.968 3.571 5 HA PHE 34 HA PHE 34 17.896 -5.511 2.669 6 1HB PHE 34 2HB PHE 34 19.220 -6.728 0.897 7 2HB PHE 34 1HB PHE 34 18.924 -8.226 1.779 8 HD1 PHE 34 1HD PHE 34 17.150 -5.317 0.233 9 HD2 PHE 34 2HD PHE 34 16.941 -9.439 1.422 10 HE1 PHE 34 1HE PHE 34 14.929 -5.517 -0.853 11 HE2 PHE 34 2HE PHE 34 14.721 -9.640 0.336 12 HZ PHE 34 HZ PHE 34 13.715 -7.679 -0.802 13 HA PRO 35 HA PRO 35 16.882 -8.023 6.366 14 1HB PRO 35 2HB PRO 35 15.041 -6.245 7.350 15 2HB PRO 35 1HB PRO 35 16.777 -6.155 7.721 16 1HG PRO 35 2HG PRO 35 15.159 -4.620 5.745 17 2HG PRO 35 1HG PRO 35 16.461 -4.064 6.804 18 1HD PRO 35 2HD PRO 35 16.818 -4.576 4.165 19 2HD PRO 35 1HD PRO 35 18.103 -4.786 5.372 20 H ARG 36 H ARG 36 15.338 -7.033 3.557 21 HA ARG 36 HA ARG 36 13.477 -7.981 2.431 22 1HB ARG 36 2HB ARG 36 14.295 -9.953 3.958 23 2HB ARG 36 1HB ARG 36 12.881 -9.549 4.931 24 1HG ARG 36 2HG ARG 36 11.431 -9.826 2.964 25 2HG ARG 36 1HG ARG 36 12.838 -10.192 1.965 26 1HD ARG 36 2HD ARG 36 11.736 -12.287 2.675 27 2HD ARG 36 1HD ARG 36 13.324 -12.155 3.455 28 HE ARG 36 HE ARG 36 11.573 -10.854 5.193 29 1HH1 ARG 36 1HH1 ARG 36 12.440 -13.986 4.160 30 2HH1 ARG 36 2HH1 ARG 36 11.397 -14.805 5.274 31 1HH2 ARG 36 1HH2 ARG 36 9.940 -11.892 6.463 32 2HH2 ARG 36 2HH2 ARG 36 9.980 -13.619 6.577 33 H ILE 37 H ILE 37 13.421 -6.100 5.179 34 HA ILE 37 HA ILE 37 10.694 -6.047 5.989 35 HB ILE 37 HB ILE 37 11.306 -3.874 6.889 36 1HG1 ILE 37 1HG1 ILE 37 13.640 -3.995 4.947 37 2HG1 ILE 37 2HG1 ILE 37 12.237 -2.936 4.803 38 1HG2 ILE 37 1HG2 ILE 37 13.944 -4.663 7.349 39 2HG2 ILE 37 2HG2 ILE 37 13.095 -6.175 7.026 40 3HG2 ILE 37 3HG2 ILE 37 12.542 -5.112 8.319 41 1HD1 ILE 37 1HD1 ILE 37 14.119 -1.719 5.812 42 2HD1 ILE 37 2HD1 ILE 37 14.235 -2.932 7.087 43 3HD1 ILE 37 3HD1 ILE 37 12.810 -1.897 6.981 44 H TRP 38 H TRP 38 12.407 -4.543 3.305 45 HA TRP 38 HA TRP 38 10.616 -2.646 2.343 46 1HB TRP 38 2HB TRP 38 12.864 -3.526 1.429 47 2HB TRP 38 1HB TRP 38 11.905 -4.742 0.583 48 HD1 TRP 38 HD TRP 38 12.386 -0.940 0.806 49 HE1 TRP 38 1HE TRP 38 11.519 0.123 -1.377 50 HE3 TRP 38 3HE TRP 38 10.388 -5.063 -1.449 51 HZ2 TRP 38 2HZ TRP 38 10.156 -0.672 -3.765 52 HZ3 TRP 38 3HZ TRP 38 9.312 -4.882 -3.676 53 HH2 TRP 38 HH TRP 38 9.195 -2.694 -4.835 54 H LEU 39 H LEU 39 10.455 -6.178 1.781 55 HA LEU 39 HA LEU 39 8.115 -6.210 0.168 56 1HB LEU 39 2HB LEU 39 9.193 -8.192 2.199 57 2HB LEU 39 1HB LEU 39 8.010 -8.576 0.947 58 HG LEU 39 HG LEU 39 10.827 -7.549 0.474 59 1HD1 LEU 39 1HD1 LEU 39 9.799 -10.173 0.941 60 2HD1 LEU 39 2HD1 LEU 39 11.441 -9.715 0.488 61 3HD1 LEU 39 3HD1 LEU 39 10.246 -10.065 -0.762 62 1HD2 LEU 39 1HD2 LEU 39 10.166 -8.213 -1.936 63 2HD2 LEU 39 2HD2 LEU 39 9.500 -6.709 -1.300 64 3HD2 LEU 39 3HD2 LEU 39 8.502 -8.162 -1.353 65 H HIS 40 H HIS 40 8.530 -6.046 3.672 66 HA HIS 40 HA HIS 40 5.824 -6.605 4.434 67 1HB HIS 40 2HB HIS 40 7.762 -6.610 5.952 68 2HB HIS 40 1HB HIS 40 7.984 -4.880 5.694 69 HD1 HIS 40 1HD HIS 40 6.687 -3.342 7.194 70 HD2 HIS 40 2HD HIS 40 5.168 -7.224 7.260 71 HE1 HIS 40 1HE HIS 40 4.887 -3.378 8.976 72 H ASN 41 H ASN 41 7.484 -3.600 3.516 73 HA ASN 41 HA ASN 41 5.524 -1.694 4.192 74 1HB ASN 41 2HB ASN 41 7.427 -1.928 1.841 75 2HB ASN 41 1HB ASN 41 6.555 -0.449 2.241 76 1HD2 ASN 41 1HD2 ASN 41 9.404 -0.500 2.331 77 2HD2 ASN 41 2HD2 ASN 41 9.902 -0.367 3.948 78 H LEU 42 H LEU 42 5.789 -3.679 1.232 79 HA LEU 42 HA LEU 42 3.545 -2.592 -0.156 80 1HB LEU 42 2HB LEU 42 4.698 -5.402 -0.155 81 2HB LEU 42 1HB LEU 42 3.721 -4.690 -1.439 82 HG LEU 42 HG LEU 42 6.445 -3.728 -0.509 83 1HD1 LEU 42 1HD1 LEU 42 6.936 -4.265 -2.986 84 2HD1 LEU 42 2HD1 LEU 42 5.433 -5.186 -2.951 85 3HD1 LEU 42 3HD1 LEU 42 6.764 -5.631 -1.885 86 1HD2 LEU 42 1HD2 LEU 42 4.528 -2.640 -2.590 87 2HD2 LEU 42 2HD2 LEU 42 6.211 -2.137 -2.438 88 3HD2 LEU 42 3HD2 LEU 42 5.074 -1.820 -1.128 89 H GLY 43 H GLY 43 3.796 -5.103 2.327 90 1HA GLY 43 1HA GLY 43 1.158 -6.163 2.088 91 2HA GLY 43 2HA GLY 43 2.138 -6.220 3.553 92 H GLN 44 H GLN 44 2.385 -3.232 3.565 93 HA GLN 44 HA GLN 44 0.132 -2.633 5.242 94 1HB GLN 44 2HB GLN 44 2.422 -1.602 5.294 95 2HB GLN 44 1HB GLN 44 2.030 -0.760 3.794 96 1HG GLN 44 2HG GLN 44 0.107 0.323 4.914 97 2HG GLN 44 1HG GLN 44 0.520 -0.507 6.414 98 1HE2 GLN 44 1HE2 GLN 44 0.528 2.228 6.597 99 2HE2 GLN 44 2HE2 GLN 44 2.112 2.838 6.621 100 H HIS 45 H HIS 45 0.791 -2.094 1.812 101 HA HIS 45 HA HIS 45 -1.399 -0.284 1.305 102 1HB HIS 45 2HB HIS 45 0.181 -2.226 -0.413 103 2HB HIS 45 1HB HIS 45 -0.948 -1.039 -1.067 104 HD1 HIS 45 1HD HIS 45 2.380 -1.325 0.662 105 HD2 HIS 45 2HD HIS 45 -0.037 1.650 -0.976 106 HE1 HIS 45 1HE HIS 45 3.794 0.775 0.565 107 H ILE 46 H ILE 46 -1.047 -3.826 0.920 108 HA ILE 46 HA ILE 46 -3.810 -4.207 0.089 109 HB ILE 46 HB ILE 46 -3.190 -6.541 0.159 110 1HG1 ILE 46 2HG1 ILE 46 -0.723 -5.763 1.733 111 2HG1 ILE 46 1HG1 ILE 46 -2.201 -6.344 2.499 112 1HG2 ILE 46 1HG2 ILE 46 -1.473 -4.527 -0.990 113 2HG2 ILE 46 2HG2 ILE 46 -1.889 -6.117 -1.629 114 3HG2 ILE 46 3HG2 ILE 46 -0.515 -5.937 -0.539 115 1HD1 ILE 46 1HD1 ILE 46 -0.504 -7.828 0.472 116 2HD1 ILE 46 2HD1 ILE 46 -2.068 -8.395 1.056 117 3HD1 ILE 46 3HD1 ILE 46 -0.714 -8.236 2.175 118 H TYR 47 H TYR 47 -2.138 -3.945 3.128 119 HA TYR 47 HA TYR 47 -4.043 -5.350 4.786 120 1HB TYR 47 2HB TYR 47 -1.702 -4.837 5.403 121 2HB TYR 47 1HB TYR 47 -2.073 -3.114 5.376 122 HD1 TYR 47 1HD TYR 47 -3.392 -2.077 7.135 123 HD2 TYR 47 2HD TYR 47 -2.621 -6.302 7.155 124 HE1 TYR 47 1HE TYR 47 -4.184 -2.210 9.481 125 HE2 TYR 47 2HE TYR 47 -3.413 -6.436 9.501 126 HH TYR 47 HH TYR 47 -3.676 -3.912 11.497 127 H GLU 48 H GLU 48 -3.734 -2.012 3.653 128 HA GLU 48 HA GLU 48 -5.772 -0.863 5.331 129 1HB GLU 48 2HB GLU 48 -4.584 -0.156 2.631 130 2HB GLU 48 1HB GLU 48 -5.699 0.902 3.497 131 1HG GLU 48 2HG GLU 48 -4.162 0.974 5.416 132 2HG GLU 48 1HG GLU 48 -3.055 -0.117 4.583 133 H THR 49 H THR 49 -5.821 -2.494 2.187 134 HA THR 49 HA THR 49 -8.471 -1.865 1.367 135 HB THR 49 HB THR 49 -6.895 -4.438 1.020 136 HG1 THR 49 1HG THR 49 -6.703 -1.882 -0.088 137 1HG2 THR 49 1HG2 THR 49 -9.474 -3.788 0.199 138 2HG2 THR 49 2HG2 THR 49 -8.460 -5.060 -0.480 139 3HG2 THR 49 3HG2 THR 49 -8.483 -3.460 -1.222 140 H TYR 50 H TYR 50 -7.234 -4.366 3.564 141 HA TYR 50 HA TYR 50 -9.718 -5.779 3.926 142 1HB TYR 50 1HB TYR 50 -7.209 -5.433 5.596 143 2HB TYR 50 2HB TYR 50 -8.483 -6.584 5.991 144 HD1 TYR 50 1HD TYR 50 -6.000 -7.835 5.667 145 HD2 TYR 50 2HD TYR 50 -8.652 -6.485 2.568 146 HE1 TYR 50 1HE TYR 50 -5.008 -9.480 4.100 147 HE2 TYR 50 2HE TYR 50 -7.660 -8.131 1.003 148 HH TYR 50 HH TYR 50 -6.297 -9.897 0.816 149 H GLY 51 H GLY 51 -8.146 -3.135 5.743 150 1HA GLY 51 1HA GLY 51 -9.221 -1.429 7.000 151 2HA GLY 51 2HA GLY 51 -10.767 -2.228 6.706 152 1HN NH2 52 1H GLY 51 -10.541 -1.469 9.271 153 2HN NH2 52 2H GLY 51 -10.112 -2.753 10.295 Start of MODEL 13 1 1H ACE 33 1H ACE 33 18.959 -8.214 1.217 2 2H ACE 33 2H ACE 33 19.512 -8.639 2.836 3 3H ACE 33 3H ACE 33 20.426 -7.482 1.868 4 H PHE 34 H PHE 34 20.183 -5.496 2.784 5 HA PHE 34 HA PHE 34 18.246 -4.604 4.571 6 1HB PHE 34 2HB PHE 34 20.326 -3.544 2.925 7 2HB PHE 34 1HB PHE 34 18.935 -2.468 2.794 8 HD1 PHE 34 1HD PHE 34 21.173 -4.185 5.231 9 HD2 PHE 34 2HD PHE 34 18.304 -1.053 4.596 10 HE1 PHE 34 1HE PHE 34 21.664 -3.278 7.486 11 HE2 PHE 34 2HE PHE 34 18.795 -0.146 6.852 12 HZ PHE 34 HZ PHE 34 20.475 -1.258 8.296 13 HA PRO 35 HA PRO 35 15.606 -2.941 0.933 14 1HB PRO 35 2HB PRO 35 15.900 -4.173 -1.492 15 2HB PRO 35 1HB PRO 35 16.765 -2.691 -1.042 16 1HG PRO 35 2HG PRO 35 17.708 -5.516 -1.053 17 2HG PRO 35 1HG PRO 35 18.562 -4.041 -1.525 18 1HD PRO 35 2HD PRO 35 18.942 -5.297 0.852 19 2HD PRO 35 1HD PRO 35 19.169 -3.553 0.629 20 H ARG 36 H ARG 36 16.423 -6.151 1.731 21 HA ARG 36 HA ARG 36 14.294 -7.648 0.557 22 1HB ARG 36 2HB ARG 36 16.298 -8.564 1.704 23 2HB ARG 36 1HB ARG 36 15.683 -7.953 3.241 24 1HG ARG 36 1HG ARG 36 15.026 -10.243 3.170 25 2HG ARG 36 2HG ARG 36 13.572 -9.329 2.770 26 1HD ARG 36 2HD ARG 36 14.021 -9.699 0.351 27 2HD ARG 36 1HD ARG 36 15.450 -10.658 0.780 28 HE ARG 36 HE ARG 36 13.466 -11.820 2.293 29 1HH1 ARG 36 1HH2 ARG 36 14.444 -11.701 -0.943 30 2HH1 ARG 36 2HH2 ARG 36 13.117 -12.634 -1.549 31 1HH2 ARG 36 1HH1 ARG 36 11.439 -12.708 1.484 32 2HH2 ARG 36 2HH1 ARG 36 11.415 -13.203 -0.175 33 H ILE 37 H ILE 37 14.400 -5.493 3.337 34 HA ILE 37 HA ILE 37 11.877 -6.313 4.510 35 HB ILE 37 HB ILE 37 12.255 -4.407 5.918 36 1HG1 ILE 37 1HG1 ILE 37 14.189 -3.383 3.818 37 2HG1 ILE 37 2HG1 ILE 37 12.537 -2.799 4.010 38 1HG2 ILE 37 1HG2 ILE 37 15.082 -5.009 5.126 39 2HG2 ILE 37 2HG2 ILE 37 14.071 -6.329 5.715 40 3HG2 ILE 37 3HG2 ILE 37 14.367 -4.921 6.736 41 1HD1 ILE 37 1HD1 ILE 37 13.368 -1.321 5.504 42 2HD1 ILE 37 2HD1 ILE 37 14.919 -2.158 5.572 43 3HD1 ILE 37 3HD1 ILE 37 13.584 -2.694 6.591 44 H TRP 38 H TRP 38 12.599 -4.682 1.637 45 HA TRP 38 HA TRP 38 10.623 -2.635 1.531 46 1HB TRP 38 2HB TRP 38 12.384 -2.751 -0.086 47 2HB TRP 38 1HB TRP 38 11.963 -4.407 -0.521 48 HD1 TRP 38 HD TRP 38 11.457 -3.909 -3.034 49 HE1 TRP 38 1HE TRP 38 9.551 -2.661 -4.236 50 HE3 TRP 38 3HE TRP 38 9.331 -1.487 0.936 51 HZ2 TRP 38 2HZ TRP 38 7.413 -0.875 -3.605 52 HZ3 TRP 38 3HZ TRP 38 7.365 -0.020 0.603 53 HH2 TRP 38 HH TRP 38 6.403 0.288 -1.660 54 H LEU 39 H LEU 39 10.399 -6.125 1.060 55 HA LEU 39 HA LEU 39 7.805 -6.142 -0.200 56 1HB LEU 39 2HB LEU 39 9.292 -8.192 1.475 57 2HB LEU 39 1HB LEU 39 7.897 -8.546 0.456 58 HG LEU 39 HG LEU 39 10.592 -7.493 -0.455 59 1HD1 LEU 39 1HD1 LEU 39 9.749 -9.799 -1.867 60 2HD1 LEU 39 2HD1 LEU 39 9.446 -10.125 -0.162 61 3HD1 LEU 39 3HD1 LEU 39 11.066 -9.682 -0.699 62 1HD2 LEU 39 1HD2 LEU 39 7.931 -7.746 -1.842 63 2HD2 LEU 39 2HD2 LEU 39 9.429 -7.903 -2.760 64 3HD2 LEU 39 3HD2 LEU 39 9.081 -6.409 -1.889 65 H HIS 40 H HIS 40 8.886 -6.111 3.164 66 HA HIS 40 HA HIS 40 6.404 -6.801 4.408 67 1HB HIS 40 2HB HIS 40 8.791 -5.127 5.236 68 2HB HIS 40 1HB HIS 40 7.493 -5.562 6.348 69 HD1 HIS 40 1HD HIS 40 10.207 -7.134 4.226 70 HD2 HIS 40 2HD HIS 40 7.588 -8.206 7.287 71 HE1 HIS 40 1HE HIS 40 10.907 -9.444 4.992 72 H ASN 41 H ASN 41 7.766 -3.658 3.410 73 HA ASN 41 HA ASN 41 5.776 -1.951 4.501 74 1HB ASN 41 2HB ASN 41 8.045 -1.526 3.279 75 2HB ASN 41 1HB ASN 41 7.073 -1.540 1.809 76 1HD2 ASN 41 1HD2 ASN 41 8.218 0.874 2.270 77 2HD2 ASN 41 2HD2 ASN 41 7.110 1.988 2.913 78 H LEU 42 H LEU 42 5.928 -3.518 1.294 79 HA LEU 42 HA LEU 42 3.606 -2.523 0.100 80 1HB LEU 42 2HB LEU 42 5.328 -4.077 -0.853 81 2HB LEU 42 1HB LEU 42 4.610 -5.386 0.086 82 HG LEU 42 HG LEU 42 2.404 -4.829 -1.053 83 1HD1 LEU 42 1HD1 LEU 42 3.278 -2.534 -1.780 84 2HD1 LEU 42 2HD1 LEU 42 2.416 -3.459 -3.010 85 3HD1 LEU 42 3HD1 LEU 42 4.179 -3.387 -3.033 86 1HD2 LEU 42 1HD2 LEU 42 2.867 -6.438 -2.602 87 2HD2 LEU 42 2HD2 LEU 42 4.431 -6.506 -1.790 88 3HD2 LEU 42 3HD2 LEU 42 4.240 -5.547 -3.257 89 H GLY 43 H GLY 43 3.874 -5.224 2.420 90 1HA GLY 43 1HA GLY 43 1.229 -6.148 2.381 91 2HA GLY 43 2HA GLY 43 2.240 -6.162 3.824 92 H GLN 44 H GLN 44 2.440 -3.107 3.537 93 HA GLN 44 HA GLN 44 0.275 -2.478 5.343 94 1HB GLN 44 2HB GLN 44 2.545 -1.432 5.281 95 2HB GLN 44 1HB GLN 44 2.111 -0.662 3.755 96 1HG GLN 44 2HG GLN 44 1.673 0.967 5.448 97 2HG GLN 44 1HG GLN 44 0.097 0.323 4.988 98 1HE2 GLN 44 1HE2 GLN 44 -1.179 -0.190 6.767 99 2HE2 GLN 44 2HE2 GLN 44 -0.593 -0.693 8.279 100 H HIS 45 H HIS 45 0.710 -2.113 1.847 101 HA HIS 45 HA HIS 45 -1.550 -0.318 1.493 102 1HB HIS 45 2HB HIS 45 -0.940 -0.427 -0.754 103 2HB HIS 45 1HB HIS 45 0.570 -0.919 0.008 104 HD1 HIS 45 1HD HIS 45 1.488 -3.147 -0.688 105 HD2 HIS 45 2HD HIS 45 -2.560 -2.780 -1.615 106 HE1 HIS 45 1HE HIS 45 0.866 -5.213 -2.017 107 H ILE 46 H ILE 46 -1.098 -3.834 1.005 108 HA ILE 46 HA ILE 46 -3.760 -4.430 0.171 109 HB ILE 46 HB ILE 46 -1.850 -5.966 -0.012 110 1HG1 ILE 46 2HG1 ILE 46 -3.650 -7.314 1.973 111 2HG1 ILE 46 1HG1 ILE 46 -4.332 -6.740 0.451 112 1HG2 ILE 46 1HG2 ILE 46 -1.986 -6.053 3.019 113 2HG2 ILE 46 2HG2 ILE 46 -0.710 -5.289 2.074 114 3HG2 ILE 46 3HG2 ILE 46 -0.924 -7.036 2.011 115 1HD1 ILE 46 1HD1 ILE 46 -1.815 -8.404 0.506 116 2HD1 ILE 46 2HD1 ILE 46 -2.930 -8.145 -0.836 117 3HD1 ILE 46 3HD1 ILE 46 -3.407 -9.164 0.522 118 H TYR 47 H TYR 47 -2.294 -4.196 3.398 119 HA TYR 47 HA TYR 47 -4.413 -5.172 4.985 120 1HB TYR 47 2HB TYR 47 -2.084 -4.510 5.671 121 2HB TYR 47 1HB TYR 47 -2.577 -2.821 5.539 122 HD1 TYR 47 1HD TYR 47 -3.094 -5.986 7.384 123 HD2 TYR 47 2HD TYR 47 -4.027 -1.800 7.175 124 HE1 TYR 47 1HE TYR 47 -4.059 -6.089 9.666 125 HE2 TYR 47 2HE TYR 47 -4.991 -1.900 9.457 126 HH TYR 47 HH TYR 47 -6.084 -4.079 10.890 127 H GLU 48 H GLU 48 -3.905 -1.940 3.618 128 HA GLU 48 HA GLU 48 -6.056 -0.577 4.883 129 1HB GLU 48 2HB GLU 48 -4.051 0.125 3.298 130 2HB GLU 48 1HB GLU 48 -5.263 -0.067 2.033 131 1HG GLU 48 1HG GLU 48 -6.778 1.438 3.421 132 2HG GLU 48 2HG GLU 48 -5.369 1.783 4.426 133 H THR 49 H THR 49 -5.957 -2.685 2.042 134 HA THR 49 HA THR 49 -8.512 -2.145 0.934 135 HB THR 49 HB THR 49 -7.015 -4.777 1.163 136 HG1 THR 49 1HG THR 49 -6.828 -2.641 -0.692 137 1HG2 THR 49 1HG2 THR 49 -9.495 -4.108 -0.037 138 2HG2 THR 49 2HG2 THR 49 -8.596 -5.617 -0.193 139 3HG2 THR 49 3HG2 THR 49 -8.332 -4.310 -1.347 140 H TYR 50 H TYR 50 -7.560 -4.178 3.680 141 HA TYR 50 HA TYR 50 -10.145 -5.439 4.044 142 1HB TYR 50 1HB TYR 50 -7.746 -4.943 5.832 143 2HB TYR 50 2HB TYR 50 -9.117 -5.941 6.311 144 HD1 TYR 50 1HD TYR 50 -6.083 -5.753 4.325 145 HD2 TYR 50 2HD TYR 50 -9.686 -7.998 4.977 146 HE1 TYR 50 1HE TYR 50 -5.102 -7.678 3.108 147 HE2 TYR 50 2HE TYR 50 -8.707 -9.923 3.759 148 HH TYR 50 HH TYR 50 -6.976 -10.669 2.589 149 H GLY 51 H GLY 51 -8.547 -2.592 5.485 150 1HA GLY 51 1HA GLY 51 -9.517 -0.707 6.514 151 2HA GLY 51 2HA GLY 51 -11.093 -1.301 5.993 152 1HN NH2 52 1H GLY 51 -8.746 -3.066 8.039 153 2HN NH2 52 2H GLY 51 -9.747 -3.137 9.408 Start of MODEL 14 1 1H ACE 33 1H ACE 33 21.258 -0.416 5.617 2 2H ACE 33 2H ACE 33 19.824 0.182 4.784 3 3H ACE 33 3H ACE 33 21.231 -0.340 3.856 4 H PHE 34 H PHE 34 18.220 -1.308 4.974 5 HA PHE 34 HA PHE 34 18.916 -4.185 4.490 6 1HB PHE 34 2HB PHE 34 18.006 -2.903 6.858 7 2HB PHE 34 1HB PHE 34 16.657 -3.861 6.245 8 HD1 PHE 34 1HD PHE 34 17.970 -6.120 4.941 9 HD2 PHE 34 2HD PHE 34 18.960 -4.133 8.618 10 HE1 PHE 34 1HE PHE 34 19.062 -8.188 5.764 11 HE2 PHE 34 2HE PHE 34 20.052 -6.201 9.442 12 HZ PHE 34 HZ PHE 34 20.104 -8.229 8.015 13 HA PRO 35 HA PRO 35 15.566 -2.344 1.682 14 1HB PRO 35 2HB PRO 35 16.354 -3.826 -0.479 15 2HB PRO 35 1HB PRO 35 17.009 -2.217 -0.119 16 1HG PRO 35 2HG PRO 35 18.179 -4.906 0.408 17 2HG PRO 35 1HG PRO 35 18.969 -3.422 -0.143 18 1HD PRO 35 2HD PRO 35 19.071 -4.316 2.429 19 2HD PRO 35 1HD PRO 35 19.187 -2.602 1.984 20 H ARG 36 H ARG 36 16.769 -5.471 2.651 21 HA ARG 36 HA ARG 36 14.943 -7.280 1.552 22 1HB ARG 36 2HB ARG 36 16.905 -7.743 3.034 23 2HB ARG 36 1HB ARG 36 15.960 -7.168 4.407 24 1HG ARG 36 2HG ARG 36 14.257 -8.919 3.938 25 2HG ARG 36 1HG ARG 36 15.261 -9.518 2.618 26 1HD ARG 36 2HD ARG 36 17.113 -9.912 4.267 27 2HD ARG 36 1HD ARG 36 16.001 -9.441 5.567 28 HE ARG 36 HE ARG 36 14.756 -11.408 3.876 29 1HH1 ARG 36 1HH2 ARG 36 14.944 -11.303 6.949 30 2HH1 ARG 36 2HH2 ARG 36 15.801 -12.775 7.264 31 1HH2 ARG 36 1HH1 ARG 36 16.836 -13.186 3.980 32 2HH2 ARG 36 2HH1 ARG 36 16.874 -13.841 5.583 33 H ILE 37 H ILE 37 14.447 -5.042 4.261 34 HA ILE 37 HA ILE 37 11.817 -6.107 4.951 35 HB ILE 37 HB ILE 37 11.841 -4.341 6.565 36 1HG1 ILE 37 1HG1 ILE 37 14.054 -3.007 4.984 37 2HG1 ILE 37 2HG1 ILE 37 12.357 -2.554 4.845 38 1HG2 ILE 37 1HG2 ILE 37 13.758 -4.910 7.700 39 2HG2 ILE 37 2HG2 ILE 37 14.792 -4.647 6.295 40 3HG2 ILE 37 3HG2 ILE 37 13.844 -6.129 6.429 41 1HD1 ILE 37 1HD1 ILE 37 13.984 -2.520 7.405 42 2HD1 ILE 37 2HD1 ILE 37 12.285 -2.065 7.261 43 3HD1 ILE 37 3HD1 ILE 37 13.528 -1.101 6.461 44 H TRP 38 H TRP 38 12.871 -4.349 2.315 45 HA TRP 38 HA TRP 38 10.893 -2.306 2.032 46 1HB TRP 38 2HB TRP 38 12.868 -2.322 0.674 47 2HB TRP 38 1HB TRP 38 12.540 -3.959 0.104 48 HD1 TRP 38 HD TRP 38 12.386 -3.324 -2.428 49 HE1 TRP 38 1HE TRP 38 10.638 -2.043 -3.820 50 HE3 TRP 38 3HE TRP 38 9.662 -1.158 1.324 51 HZ2 TRP 38 2HZ TRP 38 8.391 -0.332 -3.407 52 HZ3 TRP 38 3HZ TRP 38 7.729 0.291 0.790 53 HH2 TRP 38 HH TRP 38 7.089 0.708 -1.569 54 H LEU 39 H LEU 39 10.846 -5.769 1.313 55 HA LEU 39 HA LEU 39 8.412 -5.753 -0.242 56 1HB LEU 39 2HB LEU 39 9.779 -7.903 1.407 57 2HB LEU 39 1HB LEU 39 8.537 -8.198 0.190 58 HG LEU 39 HG LEU 39 11.275 -6.978 -0.277 59 1HD1 LEU 39 1HD1 LEU 39 11.806 -8.983 -1.400 60 2HD1 LEU 39 2HD1 LEU 39 10.112 -9.451 -1.551 61 3HD1 LEU 39 3HD1 LEU 39 10.916 -9.538 0.017 62 1HD2 LEU 39 1HD2 LEU 39 10.070 -7.545 -2.729 63 2HD2 LEU 39 2HD2 LEU 39 10.299 -5.941 -2.033 64 3HD2 LEU 39 3HD2 LEU 39 8.781 -6.803 -1.783 65 H HIS 40 H HIS 40 9.121 -5.991 3.207 66 HA HIS 40 HA HIS 40 6.579 -6.902 4.125 67 1HB HIS 40 2HB HIS 40 8.652 -5.061 5.361 68 2HB HIS 40 1HB HIS 40 7.353 -5.845 6.257 69 HD1 HIS 40 1HD HIS 40 7.672 -8.541 4.425 70 HD2 HIS 40 2HD HIS 40 10.602 -6.674 6.728 71 HE1 HIS 40 1HE HIS 40 9.413 -10.307 4.939 72 H ASN 41 H ASN 41 7.769 -3.656 3.316 73 HA ASN 41 HA ASN 41 5.709 -2.053 4.373 74 1HB ASN 41 2HB ASN 41 7.891 -1.482 3.107 75 2HB ASN 41 1HB ASN 41 6.938 -1.672 1.638 76 1HD2 ASN 41 1HD2 ASN 41 6.902 0.115 4.769 77 2HD2 ASN 41 2HD2 ASN 41 6.095 1.476 4.153 78 H LEU 42 H LEU 42 5.846 -3.596 1.148 79 HA LEU 42 HA LEU 42 3.454 -2.790 0.010 80 1HB LEU 42 2HB LEU 42 5.204 -4.347 -0.901 81 2HB LEU 42 1HB LEU 42 4.528 -5.626 0.106 82 HG LEU 42 HG LEU 42 2.291 -5.161 -1.028 83 1HD1 LEU 42 1HD1 LEU 42 2.549 -3.036 -2.009 84 2HD1 LEU 42 2HD1 LEU 42 2.705 -4.130 -3.385 85 3HD1 LEU 42 3HD1 LEU 42 4.146 -3.425 -2.650 86 1HD2 LEU 42 1HD2 LEU 42 3.148 -6.253 -3.241 87 2HD2 LEU 42 2HD2 LEU 42 3.364 -7.132 -1.728 88 3HD2 LEU 42 3HD2 LEU 42 4.719 -6.254 -2.438 89 H GLY 43 H GLY 43 3.865 -5.333 2.481 90 1HA GLY 43 1HA GLY 43 1.216 -6.303 2.558 91 2HA GLY 43 2HA GLY 43 2.301 -6.289 3.947 92 H GLN 44 H GLN 44 2.421 -3.213 3.461 93 HA GLN 44 HA GLN 44 0.312 -2.571 5.380 94 1HB GLN 44 2HB GLN 44 2.419 -0.994 3.879 95 2HB GLN 44 1HB GLN 44 1.356 -0.278 5.092 96 1HG GLN 44 2HG GLN 44 2.179 -1.876 6.773 97 2HG GLN 44 1HG GLN 44 3.217 -2.629 5.562 98 1HE2 GLN 44 1HE2 GLN 44 4.323 -1.446 7.925 99 2HE2 GLN 44 2HE2 GLN 44 5.216 -0.075 7.472 100 H HIS 45 H HIS 45 0.650 -2.414 1.897 101 HA HIS 45 HA HIS 45 -1.480 -0.407 1.600 102 1HB HIS 45 2HB HIS 45 -0.745 -0.329 -0.583 103 2HB HIS 45 1HB HIS 45 0.683 -1.054 0.145 104 HD1 HIS 45 1HD HIS 45 1.305 -3.402 -0.580 105 HD2 HIS 45 2HD HIS 45 -2.472 -2.265 -1.931 106 HE1 HIS 45 1HE HIS 45 0.551 -5.199 -2.197 107 H ILE 46 H ILE 46 -1.166 -3.925 1.453 108 HA ILE 46 HA ILE 46 -3.804 -4.371 0.295 109 HB ILE 46 HB ILE 46 -3.274 -6.694 0.758 110 1HG1 ILE 46 2HG1 ILE 46 -0.929 -5.759 2.422 111 2HG1 ILE 46 1HG1 ILE 46 -2.492 -6.146 3.139 112 1HG2 ILE 46 1HG2 ILE 46 -0.718 -5.182 0.138 113 2HG2 ILE 46 2HG2 ILE 46 -1.975 -5.569 -1.037 114 3HG2 ILE 46 3HG2 ILE 46 -1.057 -6.865 -0.270 115 1HD1 ILE 46 1HD1 ILE 46 -1.801 -8.297 3.192 116 2HD1 ILE 46 2HD1 ILE 46 -0.409 -7.944 2.168 117 3HD1 ILE 46 3HD1 ILE 46 -1.975 -8.298 1.437 118 H TYR 47 H TYR 47 -2.500 -3.926 3.514 119 HA TYR 47 HA TYR 47 -4.641 -5.059 5.046 120 1HB TYR 47 2HB TYR 47 -2.383 -4.470 5.874 121 2HB TYR 47 1HB TYR 47 -2.742 -2.762 5.621 122 HD1 TYR 47 1HD TYR 47 -3.524 -5.754 7.640 123 HD2 TYR 47 2HD TYR 47 -4.241 -1.554 7.099 124 HE1 TYR 47 1HE TYR 47 -4.586 -5.647 9.877 125 HE2 TYR 47 2HE TYR 47 -5.303 -1.447 9.337 126 HH TYR 47 HH TYR 47 -5.035 -3.942 11.618 127 H GLU 48 H GLU 48 -4.115 -1.822 3.697 128 HA GLU 48 HA GLU 48 -6.346 -0.520 4.934 129 1HB GLU 48 2HB GLU 48 -4.881 -0.081 2.311 130 2HB GLU 48 1HB GLU 48 -5.994 1.083 3.028 131 1HG GLU 48 2HG GLU 48 -4.573 1.145 5.070 132 2HG GLU 48 1HG GLU 48 -3.439 0.042 4.289 133 H THR 49 H THR 49 -6.026 -2.502 2.022 134 HA THR 49 HA THR 49 -8.509 -1.943 0.766 135 HB THR 49 HB THR 49 -7.000 -4.569 0.993 136 HG1 THR 49 1HG THR 49 -5.617 -3.742 -0.364 137 1HG2 THR 49 1HG2 THR 49 -8.612 -5.346 -0.367 138 2HG2 THR 49 2HG2 THR 49 -8.081 -4.181 -1.580 139 3HG2 THR 49 3HG2 THR 49 -9.366 -3.754 -0.450 140 H TYR 50 H TYR 50 -7.699 -4.080 3.475 141 HA TYR 50 HA TYR 50 -10.259 -5.404 3.646 142 1HB TYR 50 1HB TYR 50 -8.039 -4.842 5.637 143 2HB TYR 50 2HB TYR 50 -9.387 -5.931 5.958 144 HD1 TYR 50 1HD TYR 50 -9.660 -8.019 4.639 145 HD2 TYR 50 2HD TYR 50 -6.242 -5.462 4.152 146 HE1 TYR 50 1HE TYR 50 -8.454 -9.849 3.477 147 HE2 TYR 50 2HE TYR 50 -5.038 -7.291 2.989 148 HH TYR 50 HH TYR 50 -5.060 -9.496 2.521 149 H GLY 51 H GLY 51 -8.866 -2.538 5.249 150 1HA GLY 51 2HA GLY 51 -11.560 -1.447 5.670 151 2HA GLY 51 1HA GLY 51 -10.700 -1.858 7.155 152 1HN NH2 52 1H GLY 51 -8.109 -1.056 6.663 153 2HN NH2 52 2H GLY 51 -8.045 0.605 6.315 Start of MODEL 15 1 1H ACE 33 1H ACE 33 19.333 -6.790 0.651 2 2H ACE 33 2H ACE 33 19.393 -7.575 2.230 3 3H ACE 33 3H ACE 33 20.621 -6.388 1.788 4 H PHE 34 H PHE 34 20.261 -4.310 2.433 5 HA PHE 34 HA PHE 34 18.310 -3.469 4.205 6 1HB PHE 34 2HB PHE 34 20.400 -2.368 2.754 7 2HB PHE 34 1HB PHE 34 19.006 -1.435 2.209 8 HD1 PHE 34 1HD PHE 34 17.301 -0.846 4.242 9 HD2 PHE 34 2HD PHE 34 21.522 -1.550 4.620 10 HE1 PHE 34 1HE PHE 34 17.324 0.430 6.368 11 HE2 PHE 34 2HE PHE 34 21.543 -0.273 6.747 12 HZ PHE 34 HZ PHE 34 19.444 0.717 7.621 13 HA PRO 35 HA PRO 35 15.521 -1.963 0.623 14 1HB PRO 35 2HB PRO 35 15.926 -3.048 -1.854 15 2HB PRO 35 1HB PRO 35 16.675 -1.529 -1.326 16 1HG PRO 35 2HG PRO 35 17.827 -4.274 -1.455 17 2HG PRO 35 1HG PRO 35 18.570 -2.720 -1.860 18 1HD PRO 35 2HD PRO 35 19.037 -4.044 0.468 19 2HD PRO 35 1HD PRO 35 19.126 -2.278 0.320 20 H ARG 36 H ARG 36 16.614 -5.146 1.225 21 HA ARG 36 HA ARG 36 14.603 -6.736 -0.029 22 1HB ARG 36 2HB ARG 36 16.707 -7.520 1.069 23 2HB ARG 36 1HB ARG 36 16.004 -7.124 2.636 24 1HG ARG 36 2HG ARG 36 15.628 -9.470 2.291 25 2HG ARG 36 1HG ARG 36 14.078 -8.667 2.041 26 1HD ARG 36 2HD ARG 36 14.499 -8.679 -0.421 27 2HD ARG 36 1HD ARG 36 16.005 -9.571 -0.131 28 HE ARG 36 HE ARG 36 13.774 -10.832 1.217 29 1HH1 ARG 36 1HH2 ARG 36 14.106 -10.035 -2.019 30 2HH1 ARG 36 2HH2 ARG 36 14.055 -11.663 -2.610 31 1HH2 ARG 36 1HH1 ARG 36 14.219 -13.094 0.544 32 2HH2 ARG 36 2HH1 ARG 36 14.117 -13.395 -1.158 33 H ILE 37 H ILE 37 14.576 -4.819 2.928 34 HA ILE 37 HA ILE 37 12.122 -5.915 4.012 35 HB ILE 37 HB ILE 37 12.380 -4.150 5.607 36 1HG1 ILE 37 1HG1 ILE 37 14.142 -2.747 3.574 37 2HG1 ILE 37 2HG1 ILE 37 12.469 -2.314 3.924 38 1HG2 ILE 37 1HG2 ILE 37 14.345 -4.941 6.375 39 2HG2 ILE 37 2HG2 ILE 37 15.232 -4.141 5.077 40 3HG2 ILE 37 3HG2 ILE 37 14.555 -5.749 4.821 41 1HD1 ILE 37 1HD1 ILE 37 13.108 -1.948 6.312 42 2HD1 ILE 37 2HD1 ILE 37 13.953 -0.863 5.207 43 3HD1 ILE 37 3HD1 ILE 37 14.788 -2.265 5.878 44 H TRP 38 H TRP 38 12.758 -3.882 1.354 45 HA TRP 38 HA TRP 38 10.626 -2.022 1.412 46 1HB TRP 38 2HB TRP 38 12.443 -1.944 -0.190 47 2HB TRP 38 1HB TRP 38 11.992 -3.516 -0.843 48 HD1 TRP 38 HD TRP 38 11.636 -2.462 -3.252 49 HE1 TRP 38 1HE TRP 38 9.698 -1.104 -4.267 50 HE3 TRP 38 3HE TRP 38 9.180 -1.056 1.020 51 HZ2 TRP 38 2HZ TRP 38 7.419 0.376 -3.398 52 HZ3 TRP 38 3HZ TRP 38 7.135 0.325 0.885 53 HH2 TRP 38 HH TRP 38 6.250 1.044 -1.314 54 H LEU 39 H LEU 39 10.685 -5.442 0.466 55 HA LEU 39 HA LEU 39 8.046 -5.538 -0.681 56 1HB LEU 39 2HB LEU 39 9.738 -7.662 0.680 57 2HB LEU 39 1HB LEU 39 8.369 -7.976 -0.387 58 HG LEU 39 HG LEU 39 10.966 -6.594 -1.131 59 1HD1 LEU 39 1HD1 LEU 39 9.727 -9.282 -1.692 60 2HD1 LEU 39 2HD1 LEU 39 11.373 -8.907 -1.185 61 3HD1 LEU 39 3HD1 LEU 39 10.863 -8.572 -2.839 62 1HD2 LEU 39 1HD2 LEU 39 9.072 -5.521 -2.259 63 2HD2 LEU 39 2HD2 LEU 39 8.454 -7.096 -2.758 64 3HD2 LEU 39 3HD2 LEU 39 9.979 -6.499 -3.413 65 H HIS 40 H HIS 40 9.280 -5.857 2.613 66 HA HIS 40 HA HIS 40 6.945 -6.921 3.865 67 1HB HIS 40 2HB HIS 40 9.140 -5.057 4.828 68 2HB HIS 40 1HB HIS 40 8.010 -5.887 5.897 69 HD1 HIS 40 1HD HIS 40 8.087 -8.512 3.918 70 HD2 HIS 40 2HD HIS 40 11.287 -6.683 5.867 71 HE1 HIS 40 1HE HIS 40 9.911 -10.259 4.094 72 H ASN 41 H ASN 41 7.900 -3.590 3.077 73 HA ASN 41 HA ASN 41 5.868 -2.187 4.484 74 1HB ASN 41 1HB ASN 41 7.374 -1.698 1.901 75 2HB ASN 41 2HB ASN 41 6.322 -0.485 2.630 76 1HD2 ASN 41 1HD2 ASN 41 9.007 0.191 2.441 77 2HD2 ASN 41 2HD2 ASN 41 9.748 0.119 3.966 78 H LEU 42 H LEU 42 5.848 -3.693 1.260 79 HA LEU 42 HA LEU 42 3.374 -2.735 0.296 80 1HB LEU 42 2HB LEU 42 4.665 -5.464 -0.007 81 2HB LEU 42 1HB LEU 42 3.457 -4.781 -1.094 82 HG LEU 42 HG LEU 42 6.239 -3.696 -0.561 83 1HD1 LEU 42 1HD1 LEU 42 4.988 -4.611 -3.159 84 2HD1 LEU 42 2HD1 LEU 42 5.919 -5.689 -2.119 85 3HD1 LEU 42 3HD1 LEU 42 6.689 -4.276 -2.839 86 1HD2 LEU 42 1HD2 LEU 42 4.616 -1.862 -0.796 87 2HD2 LEU 42 2HD2 LEU 42 3.996 -2.590 -2.277 88 3HD2 LEU 42 3HD2 LEU 42 5.643 -1.962 -2.226 89 H GLY 43 H GLY 43 4.060 -5.303 2.634 90 1HA GLY 43 1HA GLY 43 1.442 -6.468 2.672 91 2HA GLY 43 2HA GLY 43 2.613 -6.562 3.989 92 H GLN 44 H GLN 44 2.539 -3.407 3.641 93 HA GLN 44 HA GLN 44 0.548 -3.018 5.779 94 1HB GLN 44 2HB GLN 44 2.500 -1.183 4.355 95 2HB GLN 44 1HB GLN 44 1.581 -0.757 5.801 96 1HG GLN 44 2HG GLN 44 3.506 -3.093 5.611 97 2HG GLN 44 1HG GLN 44 3.899 -1.531 6.328 98 1HE2 GLN 44 1HE2 GLN 44 3.442 -4.414 7.486 99 2HE2 GLN 44 2HE2 GLN 44 2.398 -4.136 8.796 100 H HIS 45 H HIS 45 0.672 -2.660 2.325 101 HA HIS 45 HA HIS 45 -1.453 -0.602 2.284 102 1HB HIS 45 2HB HIS 45 -1.046 -0.582 -0.070 103 2HB HIS 45 1HB HIS 45 0.533 -0.800 0.677 104 HD1 HIS 45 1HD HIS 45 1.829 -2.445 -0.643 105 HD2 HIS 45 2HD HIS 45 -2.190 -3.525 -0.421 106 HE1 HIS 45 1HE HIS 45 1.610 -4.646 -1.878 107 H ILE 46 H ILE 46 -1.135 -4.071 2.118 108 HA ILE 46 HA ILE 46 -3.590 -4.696 0.765 109 HB ILE 46 HB ILE 46 -3.180 -6.897 1.579 110 1HG1 ILE 46 2HG1 ILE 46 -1.521 -5.723 3.824 111 2HG1 ILE 46 1HG1 ILE 46 -3.210 -6.190 4.004 112 1HG2 ILE 46 1HG2 ILE 46 -0.933 -7.248 1.041 113 2HG2 ILE 46 2HG2 ILE 46 -0.406 -5.774 1.853 114 3HG2 ILE 46 3HG2 ILE 46 -1.245 -5.676 0.306 115 1HD1 ILE 46 1HD1 ILE 46 -1.711 -8.010 4.732 116 2HD1 ILE 46 2HD1 ILE 46 -0.960 -8.029 3.137 117 3HD1 ILE 46 3HD1 ILE 46 -2.652 -8.490 3.322 118 H TYR 47 H TYR 47 -2.835 -3.701 4.033 119 HA TYR 47 HA TYR 47 -5.226 -4.474 5.381 120 1HB TYR 47 2HB TYR 47 -3.049 -3.643 6.335 121 2HB TYR 47 1HB TYR 47 -3.487 -2.024 5.793 122 HD1 TYR 47 1HD TYR 47 -4.352 -4.780 8.099 123 HD2 TYR 47 2HD TYR 47 -5.206 -0.740 6.915 124 HE1 TYR 47 1HE TYR 47 -5.685 -4.457 10.165 125 HE2 TYR 47 2HE TYR 47 -6.540 -0.418 8.981 126 HH TYR 47 HH TYR 47 -6.717 -1.373 11.217 127 H GLU 48 H GLU 48 -4.401 -1.529 3.571 128 HA GLU 48 HA GLU 48 -6.777 -0.042 4.095 129 1HB GLU 48 2HB GLU 48 -4.456 0.478 2.929 130 2HB GLU 48 1HB GLU 48 -5.335 0.050 1.462 131 1HG GLU 48 2HG GLU 48 -7.130 1.696 2.199 132 2HG GLU 48 1HG GLU 48 -6.001 2.241 3.440 133 H THR 49 H THR 49 -6.035 -2.556 1.714 134 HA THR 49 HA THR 49 -8.283 -2.258 -0.003 135 HB THR 49 HB THR 49 -6.870 -4.788 0.904 136 HG1 THR 49 1HG THR 49 -5.235 -3.722 0.112 137 1HG2 THR 49 1HG2 THR 49 -8.841 -5.273 -0.420 138 2HG2 THR 49 2HG2 THR 49 -7.417 -5.518 -1.431 139 3HG2 THR 49 3HG2 THR 49 -8.387 -4.056 -1.613 140 H TYR 50 H TYR 50 -7.939 -3.866 3.139 141 HA TYR 50 HA TYR 50 -10.524 -5.173 3.109 142 1HB TYR 50 1HB TYR 50 -8.634 -4.312 5.323 143 2HB TYR 50 2HB TYR 50 -10.019 -5.376 5.562 144 HD1 TYR 50 1HD TYR 50 -10.094 -7.607 4.433 145 HD2 TYR 50 2HD TYR 50 -6.611 -5.099 4.314 146 HE1 TYR 50 1HE TYR 50 -8.721 -9.547 3.723 147 HE2 TYR 50 2HE TYR 50 -5.237 -7.037 3.603 148 HH TYR 50 HH TYR 50 -5.735 -9.284 2.369 149 H GLY 51 H GLY 51 -9.317 -2.121 4.533 150 1HA GLY 51 2HA GLY 51 -11.478 -0.483 4.095 151 2HA GLY 51 1HA GLY 51 -11.974 -1.397 5.519 152 1HN NH2 52 1H GLY 51 -11.732 0.154 7.178 153 2HN NH2 52 2H GLY 51 -10.281 0.971 7.507 Start of MODEL 16 1 1H ACE 33 1H ACE 33 22.391 -5.569 3.657 2 2H ACE 33 2H ACE 33 22.593 -4.658 2.160 3 3H ACE 33 3H ACE 33 23.180 -6.318 2.268 4 H PHE 34 H PHE 34 20.228 -4.342 2.207 5 HA PHE 34 HA PHE 34 18.036 -4.897 1.531 6 1HB PHE 34 2HB PHE 34 19.957 -5.926 -0.257 7 2HB PHE 34 1HB PHE 34 18.785 -7.225 -0.031 8 HD1 PHE 34 1HD PHE 34 19.477 -4.754 -2.225 9 HD2 PHE 34 2HD PHE 34 16.254 -5.960 0.346 10 HE1 PHE 34 1HE PHE 34 17.866 -3.557 -3.682 11 HE2 PHE 34 2HE PHE 34 14.643 -4.765 -1.112 12 HZ PHE 34 HZ PHE 34 15.449 -3.563 -3.126 13 HA PRO 35 HA PRO 35 17.841 -8.382 4.495 14 1HB PRO 35 2HB PRO 35 16.007 -7.213 6.166 15 2HB PRO 35 1HB PRO 35 17.762 -7.004 6.346 16 1HG PRO 35 2HG PRO 35 15.732 -5.196 5.134 17 2HG PRO 35 1HG PRO 35 17.138 -4.800 6.131 18 1HD PRO 35 2HD PRO 35 17.092 -4.509 3.426 19 2HD PRO 35 1HD PRO 35 18.574 -4.847 4.344 20 H ARG 36 H ARG 36 15.925 -7.005 2.192 21 HA ARG 36 HA ARG 36 14.000 -7.803 1.075 22 1HB ARG 36 2HB ARG 36 14.020 -10.048 3.101 23 2HB ARG 36 1HB ARG 36 13.447 -10.090 1.436 24 1HG ARG 36 2HG ARG 36 15.800 -9.665 0.675 25 2HG ARG 36 1HG ARG 36 16.325 -9.817 2.351 26 1HD ARG 36 2HD ARG 36 16.555 -11.965 1.075 27 2HD ARG 36 1HD ARG 36 15.435 -12.112 2.443 28 HE ARG 36 HE ARG 36 14.258 -11.316 -0.159 29 1HH1 ARG 36 1HH1 ARG 36 13.502 -12.860 2.618 30 2HH1 ARG 36 2HH1 ARG 36 12.859 -14.299 1.903 31 1HH2 ARG 36 1HH2 ARG 36 14.027 -13.557 -1.275 32 2HH2 ARG 36 2HH2 ARG 36 13.157 -14.694 -0.301 33 H ILE 37 H ILE 37 14.087 -6.615 4.136 34 HA ILE 37 HA ILE 37 11.456 -7.200 5.168 35 HB ILE 37 HB ILE 37 11.989 -5.384 6.682 36 1HG1 ILE 37 1HG1 ILE 37 14.073 -4.586 4.621 37 2HG1 ILE 37 2HG1 ILE 37 12.581 -3.713 4.972 38 1HG2 ILE 37 1HG2 ILE 37 13.497 -6.836 7.529 39 2HG2 ILE 37 2HG2 ILE 37 14.727 -5.940 6.637 40 3HG2 ILE 37 3HG2 ILE 37 13.984 -7.369 5.921 41 1HD1 ILE 37 1HD1 ILE 37 13.312 -3.166 7.187 42 2HD1 ILE 37 2HD1 ILE 37 14.674 -2.816 6.122 43 3HD1 ILE 37 3HD1 ILE 37 14.667 -4.292 7.087 44 H TRP 38 H TRP 38 12.792 -4.899 2.904 45 HA TRP 38 HA TRP 38 10.912 -2.878 2.681 46 1HB TRP 38 2HB TRP 38 11.659 -2.725 0.395 47 2HB TRP 38 1HB TRP 38 13.014 -3.355 1.330 48 HD1 TRP 38 HD TRP 38 13.658 -5.912 1.014 49 HE1 TRP 38 1HE TRP 38 13.100 -7.618 -0.837 50 HE3 TRP 38 3HE TRP 38 9.829 -3.465 -1.311 51 HZ2 TRP 38 2HZ TRP 38 11.269 -7.904 -3.018 52 HZ3 TRP 38 3HZ TRP 38 8.694 -4.475 -3.269 53 HH2 TRP 38 HH TRP 38 9.409 -6.690 -4.125 54 H LEU 39 H LEU 39 10.560 -6.221 1.492 55 HA LEU 39 HA LEU 39 8.206 -5.939 -0.039 56 1HB LEU 39 2HB LEU 39 9.702 -7.951 0.243 57 2HB LEU 39 1HB LEU 39 8.940 -8.226 1.810 58 HG LEU 39 HG LEU 39 6.711 -8.260 0.611 59 1HD1 LEU 39 1HD1 LEU 39 8.375 -7.401 -1.541 60 2HD1 LEU 39 2HD1 LEU 39 6.632 -7.665 -1.557 61 3HD1 LEU 39 3HD1 LEU 39 7.726 -8.986 -1.968 62 1HD2 LEU 39 1HD2 LEU 39 7.078 -10.467 0.867 63 2HD2 LEU 39 2HD2 LEU 39 8.813 -10.255 0.638 64 3HD2 LEU 39 3HD2 LEU 39 7.761 -10.483 -0.759 65 H HIS 40 H HIS 40 8.612 -6.183 3.466 66 HA HIS 40 HA HIS 40 5.921 -6.634 4.239 67 1HB HIS 40 2HB HIS 40 8.210 -5.075 5.475 68 2HB HIS 40 1HB HIS 40 6.719 -5.446 6.340 69 HD1 HIS 40 1HD HIS 40 9.654 -7.173 4.672 70 HD2 HIS 40 2HD HIS 40 6.560 -8.065 7.318 71 HE1 HIS 40 1HE HIS 40 10.108 -9.508 5.544 72 H ASN 41 H ASN 41 7.617 -3.642 3.360 73 HA ASN 41 HA ASN 41 5.740 -1.687 4.110 74 1HB ASN 41 1HB ASN 41 8.074 -1.645 2.894 75 2HB ASN 41 2HB ASN 41 7.102 -1.659 1.426 76 1HD2 ASN 41 1HD2 ASN 41 7.836 0.585 0.983 77 2HD2 ASN 41 2HD2 ASN 41 7.154 1.886 1.832 78 H LEU 42 H LEU 42 5.775 -3.796 1.254 79 HA LEU 42 HA LEU 42 3.481 -2.653 -0.060 80 1HB LEU 42 2HB LEU 42 4.944 -5.298 -0.131 81 2HB LEU 42 1HB LEU 42 3.551 -4.989 -1.168 82 HG LEU 42 HG LEU 42 4.788 -2.834 -1.868 83 1HD1 LEU 42 1HD2 LEU 42 6.894 -4.326 -0.323 84 2HD1 LEU 42 2HD2 LEU 42 6.533 -2.599 -0.324 85 3HD1 LEU 42 3HD2 LEU 42 7.359 -3.328 -1.700 86 1HD2 LEU 42 1HD1 LEU 42 6.389 -5.181 -2.756 87 2HD2 LEU 42 2HD1 LEU 42 5.561 -3.956 -3.718 88 3HD2 LEU 42 3HD1 LEU 42 4.645 -5.279 -2.995 89 H GLY 43 H GLY 43 3.872 -5.034 2.501 90 1HA GLY 43 1HA GLY 43 1.257 -6.204 2.349 91 2HA GLY 43 2HA GLY 43 2.291 -6.207 3.778 92 H GLN 44 H GLN 44 2.469 -3.223 3.720 93 HA GLN 44 HA GLN 44 0.231 -2.651 5.448 94 1HB GLN 44 2HB GLN 44 2.303 -0.934 4.047 95 2HB GLN 44 1HB GLN 44 1.215 -0.337 5.301 96 1HG GLN 44 2HG GLN 44 2.111 -2.009 6.879 97 2HG GLN 44 1HG GLN 44 3.189 -2.619 5.624 98 1HE2 GLN 44 1HE2 GLN 44 4.255 -1.573 8.046 99 2HE2 GLN 44 2HE2 GLN 44 5.062 -0.119 7.706 100 H HIS 45 H HIS 45 0.745 -2.347 1.999 101 HA HIS 45 HA HIS 45 -1.386 -0.398 1.554 102 1HB HIS 45 2HB HIS 45 0.187 -2.300 -0.211 103 2HB HIS 45 1HB HIS 45 -0.959 -1.116 -0.839 104 HD1 HIS 45 1HD HIS 45 2.380 -1.388 0.879 105 HD2 HIS 45 2HD HIS 45 -0.065 1.575 -0.738 106 HE1 HIS 45 1HE HIS 45 3.777 0.722 0.785 107 H ILE 46 H ILE 46 -1.064 -3.943 1.106 108 HA ILE 46 HA ILE 46 -3.773 -4.330 0.185 109 HB ILE 46 HB ILE 46 -3.209 -6.659 0.408 110 1HG1 ILE 46 2HG1 ILE 46 -0.877 -5.872 2.171 111 2HG1 ILE 46 1HG1 ILE 46 -2.436 -6.376 2.822 112 1HG2 ILE 46 1HG2 ILE 46 -1.443 -4.769 -0.763 113 2HG2 ILE 46 2HG2 ILE 46 -1.656 -6.462 -1.209 114 3HG2 ILE 46 3HG2 ILE 46 -0.439 -6.012 -0.016 115 1HD1 ILE 46 1HD1 ILE 46 -0.476 -8.135 2.357 116 2HD1 ILE 46 2HD1 ILE 46 -1.190 -8.117 0.744 117 3HD1 ILE 46 3HD1 ILE 46 -2.173 -8.561 2.140 118 H TYR 47 H TYR 47 -2.307 -4.046 3.357 119 HA TYR 47 HA TYR 47 -4.410 -5.280 4.896 120 1HB TYR 47 2HB TYR 47 -2.104 -4.829 5.682 121 2HB TYR 47 1HB TYR 47 -2.411 -3.096 5.580 122 HD1 TYR 47 1HD TYR 47 -3.162 -6.204 7.407 123 HD2 TYR 47 2HD TYR 47 -3.891 -1.978 7.171 124 HE1 TYR 47 1HE TYR 47 -4.157 -6.249 9.679 125 HE2 TYR 47 2HE TYR 47 -4.886 -2.023 9.443 126 HH TYR 47 HH TYR 47 -4.722 -4.878 11.462 127 H GLU 48 H GLU 48 -3.906 -2.027 3.619 128 HA GLU 48 HA GLU 48 -6.027 -0.746 5.109 129 1HB GLU 48 2HB GLU 48 -4.596 -0.130 2.503 130 2HB GLU 48 1HB GLU 48 -5.696 0.992 3.303 131 1HG GLU 48 2HG GLU 48 -3.197 -0.186 4.557 132 2HG GLU 48 1HG GLU 48 -3.325 1.443 3.895 133 H THR 49 H THR 49 -5.854 -2.589 2.120 134 HA THR 49 HA THR 49 -8.324 -1.858 0.915 135 HB THR 49 HB THR 49 -6.916 -4.547 1.020 136 HG1 THR 49 1HG THR 49 -6.068 -3.618 -1.027 137 1HG2 THR 49 1HG2 THR 49 -9.318 -3.696 -0.258 138 2HG2 THR 49 2HG2 THR 49 -8.493 -5.246 -0.415 139 3HG2 THR 49 3HG2 THR 49 -8.094 -3.921 -1.508 140 H TYR 50 H TYR 50 -7.569 -4.150 3.511 141 HA TYR 50 HA TYR 50 -10.196 -5.343 3.685 142 1HB TYR 50 1HB TYR 50 -7.857 -5.035 5.593 143 2HB TYR 50 2HB TYR 50 -9.269 -6.031 5.948 144 HD1 TYR 50 1HD TYR 50 -6.149 -5.784 4.109 145 HD2 TYR 50 2HD TYR 50 -9.836 -7.964 4.431 146 HE1 TYR 50 1HE TYR 50 -5.166 -7.638 2.788 147 HE2 TYR 50 2HE TYR 50 -8.853 -9.819 3.109 148 HH TYR 50 HH TYR 50 -6.567 -10.700 2.597 149 H GLY 51 H GLY 51 -8.581 -2.656 5.387 150 1HA GLY 51 2HA GLY 51 -10.712 -0.949 5.719 151 2HA GLY 51 1HA GLY 51 -10.927 -2.098 7.040 152 1HN NH2 52 1H GLY 51 -7.827 -2.375 7.086 153 2HN NH2 52 2H GLY 51 -7.321 -1.008 7.956 Start of MODEL 17 1 1H ACE 33 1H ACE 33 20.400 -1.020 3.702 2 2H ACE 33 2H ACE 33 21.972 -1.707 3.296 3 3H ACE 33 3H ACE 33 21.392 -1.756 4.960 4 H PHE 34 H PHE 34 18.669 -2.511 4.273 5 HA PHE 34 HA PHE 34 19.107 -5.258 3.150 6 1HB PHE 34 2HB PHE 34 17.918 -4.295 5.732 7 2HB PHE 34 1HB PHE 34 17.300 -5.783 5.012 8 HD1 PHE 34 1HD PHE 34 18.418 -7.803 5.404 9 HD2 PHE 34 2HD PHE 34 20.528 -4.095 5.905 10 HE1 PHE 34 1HE PHE 34 20.385 -9.039 6.272 11 HE2 PHE 34 2HE PHE 34 22.494 -5.332 6.774 12 HZ PHE 34 HZ PHE 34 22.423 -7.804 6.957 13 HA PRO 35 HA PRO 35 15.656 -2.608 1.180 14 1HB PRO 35 2HB PRO 35 16.049 -3.751 -1.275 15 2HB PRO 35 1HB PRO 35 16.902 -2.292 -0.738 16 1HG PRO 35 2HG PRO 35 17.834 -5.122 -0.805 17 2HG PRO 35 1HG PRO 35 18.711 -3.638 -1.200 18 1HD PRO 35 2HD PRO 35 18.994 -4.968 1.160 19 2HD PRO 35 1HD PRO 35 19.234 -3.217 0.992 20 H ARG 36 H ARG 36 16.625 -5.983 1.311 21 HA ARG 36 HA ARG 36 14.426 -7.324 0.222 22 1HB ARG 36 2HB ARG 36 16.012 -7.903 2.742 23 2HB ARG 36 1HB ARG 36 15.031 -9.087 1.879 24 1HG ARG 36 2HG ARG 36 16.412 -8.717 -0.153 25 2HG ARG 36 1HG ARG 36 17.416 -7.586 0.754 26 1HD ARG 36 2HD ARG 36 18.523 -9.760 0.771 27 2HD ARG 36 1HD ARG 36 17.879 -9.472 2.399 28 HE ARG 36 HE ARG 36 15.809 -10.716 0.953 29 1HH1 ARG 36 1HH2 ARG 36 19.132 -11.454 1.347 30 2HH1 ARG 36 2HH2 ARG 36 18.867 -13.132 1.683 31 1HH2 ARG 36 1HH1 ARG 36 15.411 -12.871 1.631 32 2HH2 ARG 36 2HH1 ARG 36 16.763 -13.933 1.843 33 H ILE 37 H ILE 37 14.667 -5.695 3.358 34 HA ILE 37 HA ILE 37 12.183 -6.673 4.441 35 HB ILE 37 HB ILE 37 12.591 -5.018 6.126 36 1HG1 ILE 37 1HG1 ILE 37 14.487 -3.626 4.216 37 2HG1 ILE 37 2HG1 ILE 37 12.808 -3.133 4.437 38 1HG2 ILE 37 1HG2 ILE 37 14.624 -6.717 5.172 39 2HG2 ILE 37 2HG2 ILE 37 14.503 -6.011 6.783 40 3HG2 ILE 37 3HG2 ILE 37 15.420 -5.184 5.525 41 1HD1 ILE 37 1HD1 ILE 37 14.687 -1.990 5.874 42 2HD1 ILE 37 2HD1 ILE 37 14.583 -3.463 6.839 43 3HD1 ILE 37 3HD1 ILE 37 13.163 -2.438 6.639 44 H TRP 38 H TRP 38 12.844 -4.478 1.910 45 HA TRP 38 HA TRP 38 10.761 -2.556 2.172 46 1HB TRP 38 2HB TRP 38 12.706 -2.600 0.567 47 2HB TRP 38 1HB TRP 38 11.854 -3.842 -0.349 48 HD1 TRP 38 HD TRP 38 11.642 -0.149 0.620 49 HE1 TRP 38 1HE TRP 38 10.009 1.035 -0.986 50 HE3 TRP 38 3HE TRP 38 9.834 -4.186 -1.936 51 HZ2 TRP 38 2HZ TRP 38 8.178 0.360 -3.077 52 HZ3 TRP 38 3HZ TRP 38 8.148 -3.885 -3.726 53 HH2 TRP 38 HH TRP 38 7.319 -1.620 -4.300 54 H LEU 39 H LEU 39 10.715 -5.909 1.088 55 HA LEU 39 HA LEU 39 8.225 -5.952 -0.281 56 1HB LEU 39 2HB LEU 39 9.603 -8.032 1.446 57 2HB LEU 39 1HB LEU 39 8.331 -8.376 0.273 58 HG LEU 39 HG LEU 39 11.073 -7.217 -0.302 59 1HD1 LEU 39 1HD1 LEU 39 11.377 -9.263 -1.602 60 2HD1 LEU 39 2HD1 LEU 39 9.729 -9.771 -1.234 61 3HD1 LEU 39 3HD1 LEU 39 10.933 -9.683 0.053 62 1HD2 LEU 39 1HD2 LEU 39 9.873 -6.116 -1.922 63 2HD2 LEU 39 2HD2 LEU 39 8.538 -7.268 -1.865 64 3HD2 LEU 39 3HD2 LEU 39 10.017 -7.672 -2.737 65 H HIS 40 H HIS 40 8.976 -6.076 3.172 66 HA HIS 40 HA HIS 40 6.403 -6.882 4.130 67 1HB HIS 40 2HB HIS 40 8.622 -5.175 5.298 68 2HB HIS 40 1HB HIS 40 7.267 -5.801 6.239 69 HD1 HIS 40 1HD HIS 40 10.310 -6.942 4.313 70 HD2 HIS 40 2HD HIS 40 7.424 -8.550 6.857 71 HE1 HIS 40 1HE HIS 40 11.088 -9.282 4.890 72 H ASN 41 H ASN 41 7.716 -3.716 3.229 73 HA ASN 41 HA ASN 41 5.737 -2.019 4.332 74 1HB ASN 41 1HB ASN 41 7.369 -1.916 1.779 75 2HB ASN 41 2HB ASN 41 6.444 -0.545 2.391 76 1HD2 ASN 41 1HD2 ASN 41 9.351 -0.544 2.156 77 2HD2 ASN 41 2HD2 ASN 41 9.987 -0.425 3.726 78 H LEU 42 H LEU 42 5.761 -3.795 1.245 79 HA LEU 42 HA LEU 42 3.431 -2.760 0.049 80 1HB LEU 42 2HB LEU 42 4.498 -5.603 0.098 81 2HB LEU 42 1HB LEU 42 3.415 -4.941 -1.125 82 HG LEU 42 HG LEU 42 6.248 -4.036 -0.528 83 1HD1 LEU 42 1HD1 LEU 42 5.113 -5.978 -2.305 84 2HD1 LEU 42 2HD1 LEU 42 6.803 -5.499 -2.143 85 3HD1 LEU 42 3HD1 LEU 42 5.749 -4.643 -3.267 86 1HD2 LEU 42 1HD2 LEU 42 5.406 -2.771 -2.838 87 2HD2 LEU 42 2HD2 LEU 42 5.512 -2.017 -1.248 88 3HD2 LEU 42 3HD2 LEU 42 3.979 -2.683 -1.807 89 H GLY 43 H GLY 43 3.760 -5.158 2.638 90 1HA GLY 43 1HA GLY 43 1.104 -6.167 2.621 91 2HA GLY 43 2HA GLY 43 2.148 -6.125 4.041 92 H GLN 44 H GLN 44 2.387 -3.122 3.764 93 HA GLN 44 HA GLN 44 0.189 -2.421 5.503 94 1HB GLN 44 2HB GLN 44 2.248 -0.803 3.971 95 2HB GLN 44 1HB GLN 44 1.199 -0.139 5.225 96 1HG GLN 44 2HG GLN 44 3.196 -2.395 5.588 97 2HG GLN 44 1HG GLN 44 3.385 -0.744 6.177 98 1HE2 GLN 44 1HE2 GLN 44 2.778 -3.648 7.427 99 2HE2 GLN 44 2HE2 GLN 44 1.620 -3.270 8.609 100 H HIS 45 H HIS 45 0.711 -2.202 2.031 101 HA HIS 45 HA HIS 45 -1.464 -0.319 1.546 102 1HB HIS 45 2HB HIS 45 0.116 -2.233 -0.200 103 2HB HIS 45 1HB HIS 45 -1.017 -1.036 -0.829 104 HD1 HIS 45 1HD HIS 45 2.361 -1.376 0.755 105 HD2 HIS 45 2HD HIS 45 -0.131 1.677 -0.605 106 HE1 HIS 45 1HE HIS 45 3.774 0.726 0.684 107 H ILE 46 H ILE 46 -1.069 -3.859 1.134 108 HA ILE 46 HA ILE 46 -3.761 -4.323 0.221 109 HB ILE 46 HB ILE 46 -3.153 -6.630 0.501 110 1HG1 ILE 46 2HG1 ILE 46 -0.878 -5.749 2.295 111 2HG1 ILE 46 1HG1 ILE 46 -2.433 -6.296 2.918 112 1HG2 ILE 46 1HG2 ILE 46 -1.605 -4.874 -0.894 113 2HG2 ILE 46 2HG2 ILE 46 -1.368 -6.621 -0.922 114 3HG2 ILE 46 3HG2 ILE 46 -0.394 -5.615 0.151 115 1HD1 ILE 46 1HD1 ILE 46 -0.286 -7.937 2.317 116 2HD1 ILE 46 2HD1 ILE 46 -1.311 -8.097 0.891 117 3HD1 ILE 46 3HD1 ILE 46 -1.959 -8.469 2.488 118 H TYR 47 H TYR 47 -2.384 -3.765 3.367 119 HA TYR 47 HA TYR 47 -4.402 -5.069 4.963 120 1HB TYR 47 2HB TYR 47 -2.139 -4.365 5.726 121 2HB TYR 47 1HB TYR 47 -2.620 -2.679 5.538 122 HD1 TYR 47 1HD TYR 47 -4.097 -1.605 7.124 123 HD2 TYR 47 2HD TYR 47 -3.190 -5.791 7.457 124 HE1 TYR 47 1HE TYR 47 -5.094 -1.642 9.395 125 HE2 TYR 47 2HE TYR 47 -4.188 -5.828 9.726 126 HH TYR 47 HH TYR 47 -4.581 -3.490 11.595 127 H GLU 48 H GLU 48 -4.024 -1.747 3.749 128 HA GLU 48 HA GLU 48 -6.377 -0.665 4.994 129 1HB GLU 48 2HB GLU 48 -4.855 0.048 2.462 130 2HB GLU 48 1HB GLU 48 -6.054 1.091 3.229 131 1HG GLU 48 2HG GLU 48 -4.703 1.118 5.298 132 2HG GLU 48 1HG GLU 48 -3.503 0.080 4.527 133 H THR 49 H THR 49 -5.842 -2.682 2.216 134 HA THR 49 HA THR 49 -8.229 -2.165 0.724 135 HB THR 49 HB THR 49 -6.642 -4.732 1.083 136 HG1 THR 49 1HG THR 49 -5.421 -3.924 -0.643 137 1HG2 THR 49 1HG2 THR 49 -8.744 -5.072 -0.110 138 2HG2 THR 49 2HG2 THR 49 -7.399 -5.168 -1.247 139 3HG2 THR 49 3HG2 THR 49 -8.389 -3.710 -1.173 140 H TYR 50 H TYR 50 -7.519 -4.449 3.377 141 HA TYR 50 HA TYR 50 -10.454 -5.036 3.548 142 1HB TYR 50 2HB TYR 50 -9.849 -7.213 4.217 143 2HB TYR 50 1HB TYR 50 -8.670 -6.831 2.971 144 HD1 TYR 50 1HD TYR 50 -9.228 -7.073 6.631 145 HD2 TYR 50 2HD TYR 50 -6.343 -6.630 3.480 146 HE1 TYR 50 1HE TYR 50 -7.395 -7.470 8.253 147 HE2 TYR 50 2HE TYR 50 -4.511 -7.025 5.100 148 HH TYR 50 HH TYR 50 -4.811 -8.426 7.905 149 H GLY 51 H GLY 51 -7.524 -4.661 5.532 150 1HA GLY 51 1HA GLY 51 -9.101 -4.308 7.977 151 2HA GLY 51 2HA GLY 51 -7.344 -4.211 7.856 152 1HN NH2 52 1H GLY 51 -8.590 -2.238 9.357 153 2HN NH2 52 2H GLY 51 -8.575 -0.761 8.520 Start of MODEL 18 1 1H ACE 33 1H ACE 33 18.590 -1.384 7.441 2 2H ACE 33 2H ACE 33 16.852 -1.231 7.180 3 3H ACE 33 3H ACE 33 17.881 0.201 7.128 4 H PHE 34 H PHE 34 18.322 -3.007 5.622 5 HA PHE 34 HA PHE 34 19.212 -1.844 3.120 6 1HB PHE 34 2HB PHE 34 18.235 -4.654 3.699 7 2HB PHE 34 1HB PHE 34 19.386 -4.161 2.457 8 HD1 PHE 34 1HD PHE 34 19.677 -6.168 4.906 9 HD2 PHE 34 2HD PHE 34 20.881 -2.108 4.185 10 HE1 PHE 34 1HE PHE 34 21.536 -6.433 6.524 11 HE2 PHE 34 2HE PHE 34 22.741 -2.373 5.804 12 HZ PHE 34 HZ PHE 34 23.068 -4.535 6.974 13 HA PRO 35 HA PRO 35 15.332 -0.869 1.274 14 1HB PRO 35 2HB PRO 35 15.876 -1.562 -1.316 15 2HB PRO 35 1HB PRO 35 16.454 -0.058 -0.575 16 1HG PRO 35 2HG PRO 35 17.895 -2.625 -1.042 17 2HG PRO 35 1HG PRO 35 18.473 -0.961 -1.214 18 1HD PRO 35 2HD PRO 35 19.049 -2.539 0.931 19 2HD PRO 35 1HD PRO 35 18.961 -0.768 1.016 20 H ARG 36 H ARG 36 16.899 -3.989 1.063 21 HA ARG 36 HA ARG 36 14.974 -5.552 -0.270 22 1HB ARG 36 2HB ARG 36 16.733 -6.144 2.129 23 2HB ARG 36 1HB ARG 36 15.926 -7.380 1.165 24 1HG ARG 36 2HG ARG 36 17.107 -6.490 -0.861 25 2HG ARG 36 1HG ARG 36 17.997 -5.390 0.191 26 1HD ARG 36 2HD ARG 36 18.802 -7.412 1.487 27 2HD ARG 36 1HD ARG 36 18.072 -8.427 0.229 28 HE ARG 36 HE ARG 36 19.522 -7.030 -1.396 29 1HH1 ARG 36 1HH1 ARG 36 21.031 -9.173 0.132 30 2HH1 ARG 36 2HH1 ARG 36 22.414 -8.288 0.686 31 1HH2 ARG 36 1HH2 ARG 36 20.998 -5.181 0.085 32 2HH2 ARG 36 2HH2 ARG 36 22.394 -6.028 0.660 33 H ILE 37 H ILE 37 14.945 -4.305 3.042 34 HA ILE 37 HA ILE 37 12.693 -5.904 3.934 35 HB ILE 37 HB ILE 37 12.878 -4.564 5.900 36 1HG1 ILE 37 1HG1 ILE 37 14.385 -2.502 4.266 37 2HG1 ILE 37 2HG1 ILE 37 12.671 -2.381 4.658 38 1HG2 ILE 37 1HG2 ILE 37 15.678 -4.236 4.899 39 2HG2 ILE 37 2HG2 ILE 37 15.003 -5.864 4.961 40 3HG2 ILE 37 3HG2 ILE 37 15.105 -4.895 6.432 41 1HD1 ILE 37 1HD1 ILE 37 13.401 -2.684 7.115 42 2HD1 ILE 37 2HD1 ILE 37 13.745 -1.128 6.357 43 3HD1 ILE 37 3HD1 ILE 37 15.030 -2.324 6.541 44 H TRP 38 H TRP 38 12.931 -3.292 1.789 45 HA TRP 38 HA TRP 38 10.615 -1.739 2.381 46 1HB TRP 38 2HB TRP 38 12.436 -1.170 0.795 47 2HB TRP 38 1HB TRP 38 11.895 -2.461 -0.276 48 HD1 TRP 38 HD TRP 38 10.760 0.921 1.142 49 HE1 TRP 38 1HE TRP 38 8.948 1.892 -0.414 50 HE3 TRP 38 3HE TRP 38 10.134 -3.017 -2.051 51 HZ2 TRP 38 2HZ TRP 38 7.432 1.102 -2.709 52 HZ3 TRP 38 3HZ TRP 38 8.501 -2.880 -3.910 53 HH2 TRP 38 HH TRP 38 7.151 -0.828 -4.242 54 H LEU 39 H LEU 39 10.991 -4.839 0.719 55 HA LEU 39 HA LEU 39 8.498 -5.020 -0.604 56 1HB LEU 39 2HB LEU 39 10.448 -6.579 -0.757 57 2HB LEU 39 1HB LEU 39 10.041 -7.192 0.846 58 HG LEU 39 HG LEU 39 7.738 -7.743 -0.059 59 1HD1 LEU 39 1HD1 LEU 39 8.717 -6.255 -2.260 60 2HD1 LEU 39 2HD1 LEU 39 7.170 -7.092 -2.138 61 3HD1 LEU 39 3HD1 LEU 39 8.570 -7.922 -2.816 62 1HD2 LEU 39 1HD2 LEU 39 8.448 -9.818 -1.017 63 2HD2 LEU 39 2HD2 LEU 39 9.693 -9.370 0.149 64 3HD2 LEU 39 3HD2 LEU 39 9.968 -9.118 -1.574 65 H HIS 40 H HIS 40 9.323 -5.589 2.794 66 HA HIS 40 HA HIS 40 6.889 -6.806 3.640 67 1HB HIS 40 2HB HIS 40 8.857 -4.967 5.039 68 2HB HIS 40 1HB HIS 40 7.635 -5.929 5.871 69 HD1 HIS 40 1HD HIS 40 10.856 -6.230 3.973 70 HD2 HIS 40 2HD HIS 40 8.154 -8.733 5.921 71 HE1 HIS 40 1HE HIS 40 11.982 -8.491 4.158 72 H ASN 41 H ASN 41 7.766 -3.413 3.137 73 HA ASN 41 HA ASN 41 5.644 -2.086 4.423 74 1HB ASN 41 2HB ASN 41 7.121 -1.594 1.823 75 2HB ASN 41 1HB ASN 41 6.033 -0.408 2.541 76 1HD2 ASN 41 1HD2 ASN 41 8.905 0.006 2.216 77 2HD2 ASN 41 2HD2 ASN 41 9.572 0.144 3.772 78 H LEU 42 H LEU 42 5.706 -3.641 1.217 79 HA LEU 42 HA LEU 42 3.145 -2.843 0.281 80 1HB LEU 42 2HB LEU 42 4.923 -5.256 -0.109 81 2HB LEU 42 1HB LEU 42 3.395 -5.098 -0.975 82 HG LEU 42 HG LEU 42 4.276 -2.730 -1.621 83 1HD1 LEU 42 1HD2 LEU 42 6.872 -2.957 -1.861 84 2HD1 LEU 42 2HD2 LEU 42 6.719 -4.121 -0.545 85 3HD1 LEU 42 3HD2 LEU 42 6.202 -2.451 -0.311 86 1HD2 LEU 42 1HD1 LEU 42 4.123 -4.074 -3.473 87 2HD2 LEU 42 2HD1 LEU 42 4.977 -5.409 -2.701 88 3HD2 LEU 42 3HD1 LEU 42 5.882 -4.044 -3.354 89 H GLY 43 H GLY 43 4.101 -5.554 2.384 90 1HA GLY 43 1HA GLY 43 1.622 -6.912 2.481 91 2HA GLY 43 2HA GLY 43 2.794 -6.896 3.798 92 H GLN 44 H GLN 44 2.483 -3.806 3.680 93 HA GLN 44 HA GLN 44 0.350 -3.699 5.709 94 1HB GLN 44 2HB GLN 44 2.274 -1.675 4.521 95 2HB GLN 44 1HB GLN 44 1.184 -1.330 5.864 96 1HG GLN 44 2HG GLN 44 2.245 -3.048 7.225 97 2HG GLN 44 1HG GLN 44 3.259 -3.542 5.869 98 1HE2 GLN 44 1HE2 GLN 44 4.362 -2.590 8.374 99 2HE2 GLN 44 2HE2 GLN 44 5.158 -1.123 8.066 100 H HIS 45 H HIS 45 0.872 -2.711 2.365 101 HA HIS 45 HA HIS 45 -1.258 -0.839 2.103 102 1HB HIS 45 2HB HIS 45 -0.575 -0.864 -0.087 103 2HB HIS 45 1HB HIS 45 0.758 -1.816 0.557 104 HD1 HIS 45 1HD HIS 45 -0.054 -4.567 0.740 105 HD2 HIS 45 2HD HIS 45 -1.683 -2.156 -2.244 106 HE1 HIS 45 1HE HIS 45 -0.945 -6.134 -1.040 107 H ILE 46 H ILE 46 -1.265 -4.360 2.182 108 HA ILE 46 HA ILE 46 -3.779 -4.904 0.976 109 HB ILE 46 HB ILE 46 -2.097 -6.577 1.693 110 1HG1 ILE 46 2HG1 ILE 46 -4.577 -7.125 3.311 111 2HG1 ILE 46 1HG1 ILE 46 -4.670 -7.024 1.553 112 1HG2 ILE 46 1HG2 ILE 46 -1.616 -7.007 3.965 113 2HG2 ILE 46 2HG2 ILE 46 -3.053 -6.148 4.522 114 3HG2 ILE 46 3HG2 ILE 46 -1.678 -5.247 3.882 115 1HD1 ILE 46 1HD1 ILE 46 -4.168 -9.256 1.697 116 2HD1 ILE 46 2HD1 ILE 46 -3.385 -9.083 3.268 117 3HD1 ILE 46 3HD1 ILE 46 -2.517 -8.643 1.798 118 H TYR 47 H TYR 47 -2.972 -3.974 4.315 119 HA TYR 47 HA TYR 47 -5.507 -4.207 5.525 120 1HB TYR 47 2HB TYR 47 -3.310 -3.661 6.601 121 2HB TYR 47 1HB TYR 47 -3.421 -2.038 5.920 122 HD1 TYR 47 1HD TYR 47 -4.931 -4.422 8.316 123 HD2 TYR 47 2HD TYR 47 -4.952 -0.397 6.817 124 HE1 TYR 47 1HE TYR 47 -6.348 -3.718 10.225 125 HE2 TYR 47 2HE TYR 47 -6.370 0.307 8.726 126 HH TYR 47 HH TYR 47 -7.952 -0.724 10.316 127 H GLU 48 H GLU 48 -4.190 -1.592 3.532 128 HA GLU 48 HA GLU 48 -6.298 0.301 3.874 129 1HB GLU 48 2HB GLU 48 -4.430 -0.298 1.557 130 2HB GLU 48 1HB GLU 48 -5.374 1.183 1.719 131 1HG GLU 48 2HG GLU 48 -4.247 1.643 3.883 132 2HG GLU 48 1HG GLU 48 -3.273 0.187 3.669 133 H THR 49 H THR 49 -5.960 -2.536 1.794 134 HA THR 49 HA THR 49 -8.062 -2.071 -0.052 135 HB THR 49 HB THR 49 -7.207 -4.668 1.273 136 HG1 THR 49 1HG THR 49 -5.653 -4.731 -0.321 137 1HG2 THR 49 1HG2 THR 49 -8.531 -5.703 -0.220 138 2HG2 THR 49 2HG2 THR 49 -7.828 -4.781 -1.549 139 3HG2 THR 49 3HG2 THR 49 -9.193 -4.124 -0.646 140 H TYR 50 H TYR 50 -8.113 -3.331 3.265 141 HA TYR 50 HA TYR 50 -10.885 -4.086 3.337 142 1HB TYR 50 1HB TYR 50 -8.883 -3.201 5.440 143 2HB TYR 50 2HB TYR 50 -10.464 -3.876 5.828 144 HD1 TYR 50 1HD TYR 50 -7.109 -4.581 4.521 145 HD2 TYR 50 2HD TYR 50 -10.997 -6.226 5.314 146 HE1 TYR 50 1HE TYR 50 -6.194 -6.870 4.256 147 HE2 TYR 50 2HE TYR 50 -10.082 -8.516 5.050 148 HH TYR 50 HH TYR 50 -6.612 -9.046 4.435 149 H GLY 51 H GLY 51 -9.172 -1.070 4.186 150 1HA GLY 51 1HA GLY 51 -11.406 0.596 3.497 151 2HA GLY 51 2HA GLY 51 -11.349 0.381 5.246 152 1HN NH2 52 1H GLY 51 -10.236 2.067 6.225 153 2HN NH2 52 2H GLY 51 -8.890 2.865 5.569 Start of MODEL 19 1 1H ACE 33 1H ACE 33 22.365 -2.966 2.078 2 2H ACE 33 2H ACE 33 21.968 -1.252 2.207 3 3H ACE 33 3H ACE 33 22.276 -1.968 0.627 4 H PHE 34 H PHE 34 20.754 -4.377 1.058 5 HA PHE 34 HA PHE 34 17.977 -3.239 1.202 6 1HB PHE 34 2HB PHE 34 19.131 -3.947 -1.056 7 2HB PHE 34 1HB PHE 34 18.780 -5.585 -0.506 8 HD1 PHE 34 1HD PHE 34 16.434 -6.297 -0.092 9 HD2 PHE 34 2HD PHE 34 17.377 -2.454 -1.764 10 HE1 PHE 34 1HE PHE 34 14.081 -6.041 -0.829 11 HE2 PHE 34 2HE PHE 34 15.023 -2.199 -2.503 12 HZ PHE 34 HZ PHE 34 13.375 -3.992 -2.036 13 HA PRO 35 HA PRO 35 18.152 -6.572 4.274 14 1HB PRO 35 2HB PRO 35 16.263 -5.471 5.926 15 2HB PRO 35 1HB PRO 35 17.987 -5.050 6.004 16 1HG PRO 35 2HG PRO 35 15.721 -3.600 4.732 17 2HG PRO 35 1HG PRO 35 17.096 -2.959 5.637 18 1HD PRO 35 2HD PRO 35 16.943 -2.908 2.925 19 2HD PRO 35 1HD PRO 35 18.480 -3.007 3.808 20 H ARG 36 H ARG 36 15.976 -5.574 1.985 21 HA ARG 36 HA ARG 36 14.108 -6.655 1.031 22 1HB ARG 36 2HB ARG 36 14.501 -8.756 3.170 23 2HB ARG 36 1HB ARG 36 13.857 -8.964 1.543 24 1HG ARG 36 2HG ARG 36 16.127 -8.241 0.666 25 2HG ARG 36 1HG ARG 36 16.721 -8.364 2.323 26 1HD ARG 36 2HD ARG 36 17.112 -10.462 0.999 27 2HD ARG 36 1HD ARG 36 16.061 -10.739 2.401 28 HE ARG 36 HE ARG 36 14.780 -10.058 -0.198 29 1HH1 ARG 36 1HH1 ARG 36 16.088 -12.884 0.486 30 2HH1 ARG 36 2HH1 ARG 36 14.637 -13.770 0.808 31 1HH2 ARG 36 1HH2 ARG 36 12.640 -10.945 1.007 32 2HH2 ARG 36 2HH2 ARG 36 12.685 -12.673 1.104 33 H ILE 37 H ILE 37 14.212 -5.294 4.030 34 HA ILE 37 HA ILE 37 11.764 -6.102 5.286 35 HB ILE 37 HB ILE 37 12.097 -4.043 6.541 36 1HG1 ILE 37 1HG1 ILE 37 13.988 -3.236 4.303 37 2HG1 ILE 37 2HG1 ILE 37 12.373 -2.575 4.550 38 1HG2 ILE 37 1HG2 ILE 37 13.848 -5.134 7.453 39 2HG2 ILE 37 2HG2 ILE 37 14.891 -4.262 6.331 40 3HG2 ILE 37 3HG2 ILE 37 14.272 -5.857 5.902 41 1HD1 ILE 37 1HD1 ILE 37 14.808 -1.742 5.776 42 2HD1 ILE 37 2HD1 ILE 37 13.787 -2.434 7.036 43 3HD1 ILE 37 3HD1 ILE 37 13.185 -1.105 6.045 44 H TRP 38 H TRP 38 12.579 -3.797 2.768 45 HA TRP 38 HA TRP 38 10.326 -2.202 2.481 46 1HB TRP 38 2HB TRP 38 12.461 -2.389 1.085 47 2HB TRP 38 1HB TRP 38 11.668 -3.700 0.215 48 HD1 TRP 38 HD TRP 38 11.385 0.061 0.873 49 HE1 TRP 38 1HE TRP 38 9.927 1.112 -0.975 50 HE3 TRP 38 3HE TRP 38 9.842 -4.166 -1.543 51 HZ2 TRP 38 2HZ TRP 38 8.318 0.270 -3.186 52 HZ3 TRP 38 3HZ TRP 38 8.349 -4.012 -3.515 53 HH2 TRP 38 HH TRP 38 7.585 -1.802 -4.339 54 H LEU 39 H LEU 39 10.677 -5.595 1.441 55 HA LEU 39 HA LEU 39 8.260 -5.964 0.057 56 1HB LEU 39 2HB LEU 39 9.747 -7.791 1.972 57 2HB LEU 39 1HB LEU 39 8.548 -8.333 0.798 58 HG LEU 39 HG LEU 39 11.202 -6.990 0.216 59 1HD1 LEU 39 1HD1 LEU 39 10.513 -9.670 0.579 60 2HD1 LEU 39 2HD1 LEU 39 11.961 -9.073 -0.233 61 3HD1 LEU 39 3HD1 LEU 39 10.521 -9.467 -1.172 62 1HD2 LEU 39 1HD2 LEU 39 10.399 -7.485 -2.213 63 2HD2 LEU 39 2HD2 LEU 39 9.765 -6.055 -1.395 64 3HD2 LEU 39 3HD2 LEU 39 8.784 -7.518 -1.504 65 H HIS 40 H HIS 40 8.854 -5.840 3.541 66 HA HIS 40 HA HIS 40 6.285 -6.787 4.405 67 1HB HIS 40 2HB HIS 40 8.360 -4.940 5.625 68 2HB HIS 40 1HB HIS 40 6.987 -5.594 6.519 69 HD1 HIS 40 1HD HIS 40 10.099 -6.727 4.670 70 HD2 HIS 40 2HD HIS 40 7.307 -8.243 7.369 71 HE1 HIS 40 1HE HIS 40 10.968 -8.990 5.405 72 H ASN 41 H ASN 41 7.489 -3.573 3.498 73 HA ASN 41 HA ASN 41 5.317 -1.991 4.429 74 1HB ASN 41 1HB ASN 41 7.164 -1.770 2.029 75 2HB ASN 41 2HB ASN 41 6.125 -0.458 2.587 76 1HD2 ASN 41 1HD2 ASN 41 9.067 -0.380 2.586 77 2HD2 ASN 41 2HD2 ASN 41 9.557 -0.233 4.205 78 H LEU 42 H LEU 42 5.794 -3.629 1.285 79 HA LEU 42 HA LEU 42 3.559 -2.822 -0.148 80 1HB LEU 42 2HB LEU 42 5.358 -4.406 -0.851 81 2HB LEU 42 1HB LEU 42 4.624 -5.649 0.164 82 HG LEU 42 HG LEU 42 2.481 -5.301 -1.157 83 1HD1 LEU 42 1HD1 LEU 42 4.404 -3.633 -2.791 84 2HD1 LEU 42 2HD1 LEU 42 2.840 -3.152 -2.136 85 3HD1 LEU 42 3HD1 LEU 42 2.920 -4.301 -3.472 86 1HD2 LEU 42 1HD2 LEU 42 4.994 -6.266 -2.547 87 2HD2 LEU 42 2HD2 LEU 42 3.367 -6.548 -3.169 88 3HD2 LEU 42 3HD2 LEU 42 3.850 -7.236 -1.618 89 H GLY 43 H GLY 43 3.659 -5.307 2.416 90 1HA GLY 43 1HA GLY 43 1.000 -6.236 2.204 91 2HA GLY 43 2HA GLY 43 1.923 -6.220 3.707 92 H GLN 44 H GLN 44 2.269 -3.278 3.620 93 HA GLN 44 HA GLN 44 -0.021 -2.495 5.139 94 1HB GLN 44 2HB GLN 44 2.152 -0.961 3.685 95 2HB GLN 44 1HB GLN 44 1.018 -0.210 4.805 96 1HG GLN 44 2HG GLN 44 1.773 -1.732 6.596 97 2HG GLN 44 1HG GLN 44 2.909 -2.485 5.477 98 1HE2 GLN 44 1HE2 GLN 44 3.860 -1.211 7.837 99 2HE2 GLN 44 2HE2 GLN 44 4.713 0.189 7.397 100 H HIS 45 H HIS 45 0.742 -2.225 1.699 101 HA HIS 45 HA HIS 45 -1.348 -0.370 1.002 102 1HB HIS 45 2HB HIS 45 0.176 -2.516 -0.507 103 2HB HIS 45 1HB HIS 45 -0.910 -1.371 -1.293 104 HD1 HIS 45 1HD HIS 45 2.367 -1.548 0.565 105 HD2 HIS 45 2HD HIS 45 0.096 1.273 -1.504 106 HE1 HIS 45 1HE HIS 45 3.846 0.487 0.271 107 H ILE 46 H ILE 46 -1.180 -3.948 0.900 108 HA ILE 46 HA ILE 46 -3.978 -4.215 0.108 109 HB ILE 46 HB ILE 46 -3.482 -6.569 0.253 110 1HG1 ILE 46 2HG1 ILE 46 -1.016 -5.812 1.849 111 2HG1 ILE 46 1HG1 ILE 46 -2.504 -6.440 2.558 112 1HG2 ILE 46 1HG2 ILE 46 -2.034 -6.475 -1.471 113 2HG2 ILE 46 2HG2 ILE 46 -0.731 -5.923 -0.417 114 3HG2 ILE 46 3HG2 ILE 46 -1.844 -4.756 -1.131 115 1HD1 ILE 46 1HD1 ILE 46 -0.743 -7.850 0.529 116 2HD1 ILE 46 2HD1 ILE 46 -2.284 -8.470 1.123 117 3HD1 ILE 46 3HD1 ILE 46 -0.926 -8.277 2.230 118 H TYR 47 H TYR 47 -2.153 -4.146 3.108 119 HA TYR 47 HA TYR 47 -4.034 -5.288 4.904 120 1HB TYR 47 1HB TYR 47 -1.627 -4.626 5.296 121 2HB TYR 47 2HB TYR 47 -2.159 -2.944 5.353 122 HD1 TYR 47 1HD TYR 47 -3.383 -2.073 7.247 123 HD2 TYR 47 2HD TYR 47 -2.362 -6.239 7.022 124 HE1 TYR 47 1HE TYR 47 -4.001 -2.353 9.633 125 HE2 TYR 47 2HE TYR 47 -2.980 -6.520 9.409 126 HH TYR 47 HH TYR 47 -4.547 -5.292 11.058 127 H GLU 48 H GLU 48 -3.654 -1.940 3.768 128 HA GLU 48 HA GLU 48 -5.719 -0.752 5.340 129 1HB GLU 48 1HB GLU 48 -3.804 0.187 3.793 130 2HB GLU 48 2HB GLU 48 -5.041 0.108 2.538 131 1HG GLU 48 1HG GLU 48 -6.557 1.412 4.108 132 2HG GLU 48 2HG GLU 48 -5.145 1.663 5.135 133 H THR 49 H THR 49 -5.773 -2.429 2.218 134 HA THR 49 HA THR 49 -8.395 -1.771 1.361 135 HB THR 49 HB THR 49 -6.899 -4.400 1.098 136 HG1 THR 49 1HG THR 49 -5.714 -3.444 -0.397 137 1HG2 THR 49 1HG2 THR 49 -8.493 -4.995 -0.373 138 2HG2 THR 49 2HG2 THR 49 -8.354 -3.456 -1.223 139 3HG2 THR 49 3HG2 THR 49 -9.426 -3.601 0.170 140 H TYR 50 H TYR 50 -7.255 -4.218 3.671 141 HA TYR 50 HA TYR 50 -9.795 -5.548 4.025 142 1HB TYR 50 1HB TYR 50 -7.324 -5.247 5.761 143 2HB TYR 50 2HB TYR 50 -8.636 -6.371 6.108 144 HD1 TYR 50 1HD TYR 50 -5.664 -5.750 4.138 145 HD2 TYR 50 2HD TYR 50 -9.195 -8.176 4.423 146 HE1 TYR 50 1HE TYR 50 -4.650 -7.403 2.593 147 HE2 TYR 50 2HE TYR 50 -8.182 -9.831 2.877 148 HH TYR 50 HH TYR 50 -6.389 -9.768 1.038 149 H GLY 51 H GLY 51 -8.131 -2.949 5.838 150 1HA GLY 51 1HA GLY 51 -10.410 -2.623 7.653 151 2HA GLY 51 2HA GLY 51 -8.955 -1.625 7.626 152 1HN NH2 52 1H GLY 51 -10.758 0.141 7.822 153 2HN NH2 52 2H GLY 51 -11.390 0.741 6.366 Start of MODEL 20 1 1H ACE 33 1H ACE 33 18.374 2.336 4.322 2 2H ACE 33 2H ACE 33 19.789 2.173 3.282 3 3H ACE 33 3H ACE 33 19.965 2.069 5.033 4 H PHE 34 H PHE 34 17.143 0.522 4.404 5 HA PHE 34 HA PHE 34 18.481 -2.117 3.919 6 1HB PHE 34 2HB PHE 34 17.532 -1.192 6.321 7 2HB PHE 34 1HB PHE 34 16.122 -2.046 5.695 8 HD1 PHE 34 1HD PHE 34 19.848 -2.533 5.831 9 HD2 PHE 34 2HD PHE 34 15.954 -4.298 6.246 10 HE1 PHE 34 1HE PHE 34 20.894 -4.702 6.426 11 HE2 PHE 34 2HE PHE 34 17.000 -6.466 6.841 12 HZ PHE 34 HZ PHE 34 19.469 -6.667 6.931 13 HA PRO 35 HA PRO 35 14.968 -1.072 0.935 14 1HB PRO 35 2HB PRO 35 16.018 -2.670 -1.021 15 2HB PRO 35 1HB PRO 35 16.452 -0.961 -0.830 16 1HG PRO 35 2HG PRO 35 17.927 -3.404 0.029 17 2HG PRO 35 1HG PRO 35 18.547 -1.899 -0.664 18 1HD PRO 35 2HD PRO 35 18.655 -2.488 1.994 19 2HD PRO 35 1HD PRO 35 18.572 -0.831 1.362 20 H ARG 36 H ARG 36 16.530 -3.944 2.203 21 HA ARG 36 HA ARG 36 14.910 -6.027 1.274 22 1HB ARG 36 2HB ARG 36 16.899 -6.226 2.731 23 2HB ARG 36 1HB ARG 36 15.980 -5.539 4.071 24 1HG ARG 36 2HG ARG 36 15.929 -7.935 4.332 25 2HG ARG 36 1HG ARG 36 14.329 -7.440 3.781 26 1HD ARG 36 2HD ARG 36 14.983 -8.009 1.441 27 2HD ARG 36 1HD ARG 36 16.550 -8.580 2.046 28 HE ARG 36 HE ARG 36 14.246 -9.736 3.445 29 1HH1 ARG 36 1HH2 ARG 36 15.913 -9.877 0.458 30 2HH1 ARG 36 2HH2 ARG 36 15.943 -11.608 0.392 31 1HH2 ARG 36 1HH1 ARG 36 14.502 -12.016 3.520 32 2HH2 ARG 36 2HH1 ARG 36 15.145 -12.819 2.126 33 H ILE 37 H ILE 37 14.202 -3.684 3.853 34 HA ILE 37 HA ILE 37 11.744 -4.945 4.711 35 HB ILE 37 HB ILE 37 11.516 -2.968 6.038 36 1HG1 ILE 37 1HG1 ILE 37 13.503 -1.576 4.225 37 2HG1 ILE 37 2HG1 ILE 37 11.757 -1.415 4.042 38 1HG2 ILE 37 1HG2 ILE 37 14.023 -4.298 5.765 39 2HG2 ILE 37 2HG2 ILE 37 13.363 -3.510 7.198 40 3HG2 ILE 37 3HG2 ILE 37 14.355 -2.593 6.066 41 1HD1 ILE 37 1HD1 ILE 37 11.551 -0.112 5.906 42 2HD1 ILE 37 2HD1 ILE 37 13.255 0.228 5.605 43 3HD1 ILE 37 3HD1 ILE 37 12.795 -0.999 6.786 44 H TRP 38 H TRP 38 12.546 -3.177 1.901 45 HA TRP 38 HA TRP 38 10.222 -1.661 1.375 46 1HB TRP 38 2HB TRP 38 12.211 -1.533 0.013 47 2HB TRP 38 1HB TRP 38 12.104 -3.244 -0.394 48 HD1 TRP 38 HD TRP 38 11.948 -2.715 -2.981 49 HE1 TRP 38 1HE TRP 38 10.014 -1.879 -4.463 50 HE3 TRP 38 3HE TRP 38 8.746 -0.978 0.616 51 HZ2 TRP 38 2HZ TRP 38 7.460 -0.638 -4.170 52 HZ3 TRP 38 3HZ TRP 38 6.578 0.025 -0.022 53 HH2 TRP 38 HH TRP 38 5.930 0.198 -2.406 54 H LEU 39 H LEU 39 10.862 -5.125 0.855 55 HA LEU 39 HA LEU 39 8.380 -5.702 -0.498 56 1HB LEU 39 2HB LEU 39 10.462 -7.079 -0.524 57 2HB LEU 39 1HB LEU 39 10.195 -7.470 1.175 58 HG LEU 39 HG LEU 39 8.142 -8.621 0.667 59 1HD1 LEU 39 1HD2 LEU 39 7.668 -8.745 -1.968 60 2HD1 LEU 39 2HD2 LEU 39 8.432 -7.157 -1.917 61 3HD1 LEU 39 3HD2 LEU 39 6.984 -7.470 -0.961 62 1HD2 LEU 39 1HD1 LEU 39 9.363 -9.823 -1.621 63 2HD2 LEU 39 2HD1 LEU 39 9.357 -10.410 0.042 64 3HD2 LEU 39 3HD1 LEU 39 10.648 -9.343 -0.513 65 H HIS 40 H HIS 40 9.309 -5.443 2.885 66 HA HIS 40 HA HIS 40 6.967 -6.786 3.958 67 1HB HIS 40 2HB HIS 40 9.030 -6.602 5.220 68 2HB HIS 40 1HB HIS 40 9.008 -4.843 5.086 69 HD1 HIS 40 1HD HIS 40 7.334 -3.548 6.582 70 HD2 HIS 40 2HD HIS 40 7.189 -7.679 7.119 71 HE1 HIS 40 1HE HIS 40 5.958 -3.951 8.669 72 H ASN 41 H ASN 41 7.770 -3.454 3.079 73 HA ASN 41 HA ASN 41 5.637 -2.083 4.364 74 1HB ASN 41 2HB ASN 41 7.131 -1.673 1.756 75 2HB ASN 41 1HB ASN 41 6.010 -0.480 2.411 76 1HD2 ASN 41 1HD2 ASN 41 8.760 0.175 2.117 77 2HD2 ASN 41 2HD2 ASN 41 9.461 0.317 3.657 78 H LEU 42 H LEU 42 5.792 -3.668 1.176 79 HA LEU 42 HA LEU 42 3.336 -3.013 0.059 80 1HB LEU 42 2HB LEU 42 5.150 -4.444 -0.890 81 2HB LEU 42 1HB LEU 42 4.635 -5.753 0.173 82 HG LEU 42 HG LEU 42 2.316 -5.496 -0.865 83 1HD1 LEU 42 1HD1 LEU 42 3.819 -4.117 -3.091 84 2HD1 LEU 42 2HD1 LEU 42 2.998 -3.197 -1.832 85 3HD1 LEU 42 3HD1 LEU 42 2.076 -4.272 -2.882 86 1HD2 LEU 42 1HD2 LEU 42 4.704 -6.377 -2.506 87 2HD2 LEU 42 2HD2 LEU 42 3.037 -6.702 -2.982 88 3HD2 LEU 42 3HD2 LEU 42 3.675 -7.381 -1.485 89 H GLY 43 H GLY 43 3.952 -5.567 2.484 90 1HA GLY 43 1HA GLY 43 1.322 -6.612 2.607 91 2HA GLY 43 2HA GLY 43 2.474 -6.662 3.938 92 H GLN 44 H GLN 44 2.465 -3.527 3.558 93 HA GLN 44 HA GLN 44 0.426 -3.078 5.629 94 1HB GLN 44 2HB GLN 44 2.687 -2.100 5.713 95 2HB GLN 44 1HB GLN 44 2.378 -1.250 4.199 96 1HG GLN 44 2HG GLN 44 0.457 -0.089 5.291 97 2HG GLN 44 1HG GLN 44 0.883 -0.874 6.811 98 1HE2 GLN 44 1HE2 GLN 44 0.966 1.860 6.902 99 2HE2 GLN 44 2HE2 GLN 44 2.564 2.429 6.865 100 H HIS 45 H HIS 45 0.762 -2.528 2.172 101 HA HIS 45 HA HIS 45 -1.345 -0.522 2.000 102 1HB HIS 45 2HB HIS 45 -0.814 -0.560 -0.281 103 2HB HIS 45 1HB HIS 45 0.687 -1.141 0.435 104 HD1 HIS 45 1HD HIS 45 1.554 -3.239 -0.581 105 HD2 HIS 45 2HD HIS 45 -2.586 -2.950 -0.977 106 HE1 HIS 45 1HE HIS 45 0.815 -5.260 -1.923 107 H ILE 46 H ILE 46 -1.192 -4.051 1.716 108 HA ILE 46 HA ILE 46 -3.774 -4.495 0.583 109 HB ILE 46 HB ILE 46 -2.060 -6.213 0.741 110 1HG1 ILE 46 2HG1 ILE 46 -3.438 -7.960 2.142 111 2HG1 ILE 46 1HG1 ILE 46 -4.617 -6.653 2.248 112 1HG2 ILE 46 1HG2 ILE 46 -2.385 -6.596 3.663 113 2HG2 ILE 46 2HG2 ILE 46 -1.477 -5.165 3.177 114 3HG2 ILE 46 3HG2 ILE 46 -0.946 -6.763 2.659 115 1HD1 ILE 46 1HD1 ILE 46 -5.079 -6.702 -0.014 116 2HD1 ILE 46 2HD1 ILE 46 -4.634 -8.392 0.216 117 3HD1 ILE 46 3HD1 ILE 46 -3.458 -7.253 -0.439 118 H TYR 47 H TYR 47 -2.743 -3.968 3.942 119 HA TYR 47 HA TYR 47 -5.106 -4.674 5.316 120 1HB TYR 47 2HB TYR 47 -2.909 -4.016 6.295 121 2HB TYR 47 1HB TYR 47 -3.224 -2.348 5.817 122 HD1 TYR 47 1HD TYR 47 -4.260 -5.105 8.049 123 HD2 TYR 47 2HD TYR 47 -4.858 -0.988 6.982 124 HE1 TYR 47 1HE TYR 47 -5.569 -4.757 10.125 125 HE2 TYR 47 2HE TYR 47 -6.168 -0.639 9.059 126 HH TYR 47 HH TYR 47 -7.300 -3.212 10.967 127 H GLU 48 H GLU 48 -4.265 -1.634 3.688 128 HA GLU 48 HA GLU 48 -6.575 -0.123 4.417 129 1HB GLU 48 2HB GLU 48 -4.779 -0.098 1.968 130 2HB GLU 48 1HB GLU 48 -5.909 1.190 2.381 131 1HG GLU 48 2HG GLU 48 -4.740 1.502 4.546 132 2HG GLU 48 1HG GLU 48 -3.595 0.237 4.097 133 H THR 49 H THR 49 -5.984 -2.494 1.857 134 HA THR 49 HA THR 49 -8.241 -2.044 0.210 135 HB THR 49 HB THR 49 -6.971 -4.677 1.035 136 HG1 THR 49 1HG THR 49 -6.294 -2.922 -1.084 137 1HG2 THR 49 1HG2 THR 49 -8.546 -5.499 -0.363 138 2HG2 THR 49 2HG2 THR 49 -7.607 -4.758 -1.658 139 3HG2 THR 49 3HG2 THR 49 -8.973 -3.893 -0.953 140 H TYR 50 H TYR 50 -7.937 -3.783 3.286 141 HA TYR 50 HA TYR 50 -10.580 -4.933 3.317 142 1HB TYR 50 1HB TYR 50 -8.625 -4.106 5.489 143 2HB TYR 50 2HB TYR 50 -10.076 -5.060 5.793 144 HD1 TYR 50 1HD TYR 50 -10.309 -7.340 4.806 145 HD2 TYR 50 2HD TYR 50 -6.689 -5.062 4.451 146 HE1 TYR 50 1HE TYR 50 -9.075 -9.398 4.177 147 HE2 TYR 50 2HE TYR 50 -5.454 -7.117 3.825 148 HH TYR 50 HH TYR 50 -7.123 -10.149 3.220 149 H GLY 51 H GLY 51 -9.232 -1.905 4.655 150 1HA GLY 51 2HA GLY 51 -11.130 -0.069 4.209 151 2HA GLY 51 1HA GLY 51 -11.956 -1.031 5.435 152 1HN NH2 52 1H GLY 51 -9.165 -1.568 6.687 153 2HN NH2 52 2H GLY 51 -8.843 -0.153 7.567
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