NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
488130 | 2l4g | 17240 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -14.725 -3.674 -0.019 2 HA2 GLY 1 1HA GLY 1 -14.392 -1.433 -0.149 3 HA3 GLY 1 2HA GLY 1 -15.027 -1.236 1.473 4 H LEU 2 H LEU 2 -13.133 -3.377 2.556 5 HA LEU 2 HA LEU 2 -10.991 -1.579 3.126 6 HB3 LEU 2 2HB LEU 2 -10.963 -4.458 3.906 7 HG LEU 2 HG LEU 2 -9.336 -2.578 4.750 8 HD11 LEU 2 1HD1 LEU 2 -10.702 -0.857 5.470 9 HD12 LEU 2 2HD1 LEU 2 -11.897 -1.960 6.194 10 HD13 LEU 2 3HD1 LEU 2 -10.327 -1.702 6.992 11 HD21 LEU 2 3HD2 LEU 2 -9.816 -3.770 7.183 12 HD22 LEU 2 1HD2 LEU 2 -10.520 -4.930 6.031 13 HD23 LEU 2 2HD2 LEU 2 -8.817 -4.438 5.871 14 H PHE 3 H PHE 3 -11.333 -4.746 1.396 15 HA PHE 3 HA PHE 3 -8.685 -5.036 0.700 16 HB3 PHE 3 2HB PHE 3 -10.869 -5.706 -1.282 17 HD1 PHE 3 2HD PHE 3 -8.423 -6.121 -2.271 18 HD2 PHE 3 1HD PHE 3 -10.234 -8.434 0.792 19 HE1 PHE 3 2HE PHE 3 -6.898 -8.037 -2.816 20 HE2 PHE 3 1HE PHE 3 -8.708 -10.350 0.246 21 HZ PHE 3 HZ PHE 3 -7.057 -10.129 -1.552 22 H GLY 4 H GLY 4 -11.083 -2.754 -0.471 23 HA2 GLY 4 1HA GLY 4 -9.657 -2.230 -2.953 24 HA3 GLY 4 2HA GLY 4 -11.136 -1.480 -2.386 25 H ALA 5 H ALA 5 -9.739 -1.127 0.393 26 HA ALA 5 HA ALA 5 -8.682 1.476 -0.241 27 HB1 ALA 5 1HB ALA 5 -8.744 1.808 2.157 28 HB2 ALA 5 2HB ALA 5 -10.248 0.987 1.673 29 HB3 ALA 5 3HB ALA 5 -8.936 0.061 2.441 30 H ILE 6 H ILE 6 -7.527 -1.779 0.508 31 HA ILE 6 HA ILE 6 -5.089 -1.345 1.597 32 HB ILE 6 HB ILE 6 -5.807 -3.312 -0.579 33 HG13 ILE 6 2HG1 ILE 6 -7.376 -3.599 1.163 34 HG21 ILE 6 1HG2 ILE 6 -3.292 -2.788 0.283 35 HG22 ILE 6 2HG2 ILE 6 -3.795 -4.018 1.466 36 HG23 ILE 6 3HG2 ILE 6 -3.852 -4.383 -0.275 37 HD11 ILE 6 3HD1 ILE 6 -5.695 -5.609 0.501 38 HD12 ILE 6 1HD1 ILE 6 -5.300 -5.482 2.232 39 HD13 ILE 6 2HD1 ILE 6 -6.974 -5.807 1.723 40 H ALA 7 H ALA 7 -6.042 -0.973 -1.862 41 HA ALA 7 HA ALA 7 -3.610 -0.574 -3.001 42 HB1 ALA 7 1HB ALA 7 -5.256 1.339 -4.192 43 HB2 ALA 7 2HB ALA 7 -5.137 -0.376 -4.650 44 HB3 ALA 7 3HB ALA 7 -6.402 0.157 -3.516 45 H GLY 8 H GLY 8 -5.581 1.758 -1.078 46 HA2 GLY 8 1HA GLY 8 -3.904 3.990 -1.482 47 HA3 GLY 8 2HA GLY 8 -5.074 3.765 -0.198 48 H PHE 9 H PHE 9 -3.791 1.184 0.727 49 HA PHE 9 HA PHE 9 -1.905 2.414 2.485 50 HB3 PHE 9 2HB PHE 9 -2.329 -0.581 2.134 51 HD1 PHE 9 1HD PHE 9 -0.088 -0.079 3.510 52 HD2 PHE 9 2HD PHE 9 -4.027 0.599 4.932 53 HE1 PHE 9 1HE PHE 9 0.746 -0.194 5.875 54 HE2 PHE 9 2HE PHE 9 -3.194 0.484 7.298 55 HZ PHE 9 HZ PHE 9 -0.818 0.088 7.740 56 H ILE 10 H ILE 10 -1.798 0.608 -0.540 57 HA ILE 10 HA ILE 10 0.714 -0.545 -0.318 58 HB ILE 10 HB ILE 10 -0.740 0.521 -2.740 59 HG13 ILE 10 2HG1 ILE 10 -2.154 -1.060 -1.718 60 HG21 ILE 10 1HG2 ILE 10 1.635 0.221 -3.213 61 HG22 ILE 10 2HG2 ILE 10 1.568 -1.436 -2.567 62 HG23 ILE 10 3HG2 ILE 10 0.658 -1.018 -4.038 63 HD11 ILE 10 3HD1 ILE 10 -2.260 -2.803 -3.317 64 HD12 ILE 10 1HD1 ILE 10 -1.402 -1.508 -4.187 65 HD13 ILE 10 2HD1 ILE 10 -0.490 -2.871 -3.494 66 H GLU 11 H GLU 11 -0.298 2.809 -0.753 67 HA GLU 11 HA GLU 11 2.026 3.771 -1.898 68 HB3 GLU 11 2HB GLU 11 1.271 5.983 -0.852 69 HG3 GLU 11 2HG GLU 11 -0.975 4.419 -2.201 70 H ASN 12 H ASN 12 1.372 2.546 1.297 71 HA ASN 12 HA ASN 12 3.831 3.791 2.242 72 HB3 ASN 12 2HB ASN 12 2.208 2.385 4.273 73 HD21 ASN 12 1HD2 ASN 12 2.634 5.699 3.032 74 HD22 ASN 12 2HD2 ASN 12 3.461 6.344 4.410 75 H ALA 13 H ALA 13 1.925 0.788 1.780 76 HA ALA 13 HA ALA 13 3.823 -0.898 3.089 77 HB1 ALA 13 1HB ALA 13 2.211 -2.445 1.387 78 HB2 ALA 13 2HB ALA 13 1.926 -2.110 3.112 79 HB3 ALA 13 3HB ALA 13 1.179 -1.077 1.868 80 H TRP 14 H TRP 14 3.670 0.741 0.063 81 HA TRP 14 HA TRP 14 5.418 -1.241 -1.198 82 HB3 TRP 14 2HB TRP 14 4.100 1.173 -2.446 83 HD1 TRP 14 HD TRP 14 6.492 -1.735 -3.009 84 HE1 TRP 14 1HE TRP 14 7.254 -1.910 -5.529 85 HE3 TRP 14 3HE TRP 14 3.145 1.647 -4.804 86 HZ2 TRP 14 2HZ TRP 14 6.392 -0.643 -7.937 87 HZ3 TRP 14 3HZ TRP 14 3.172 2.120 -7.252 88 HH2 TRP 14 HH TRP 14 4.722 1.038 -8.801 89 H GLU 15 H GLU 15 5.173 2.376 -1.371 90 HA GLU 15 HA GLU 15 7.688 2.955 -1.891 91 HB3 GLU 15 2HB GLU 15 6.265 4.541 0.267 92 HG3 GLU 15 2HG GLU 15 7.058 6.183 -1.860 93 H GLY 16 H GLY 16 6.435 1.825 1.251 94 HA2 GLY 16 1HA GLY 16 8.685 2.465 2.828 95 HA3 GLY 16 2HA GLY 16 7.456 1.265 3.175 96 H MET 17 H MET 17 7.656 -0.642 1.230 97 HA MET 17 HA MET 17 10.012 -1.955 1.985 98 HB3 MET 17 2HB MET 17 7.776 -2.465 -0.027 99 HG3 MET 17 2HG MET 17 10.325 -4.065 0.409 100 HE1 MET 17 3HE MET 17 9.213 -7.473 -1.151 101 HE2 MET 17 1HE MET 17 9.832 -6.038 -2.005 102 HE3 MET 17 2HE MET 17 10.557 -6.534 -0.458 103 H ILE 18 H ILE 18 9.482 0.502 -0.292 104 HA ILE 18 HA ILE 18 11.527 -0.501 -2.116 105 HB ILE 18 HB ILE 18 9.694 1.893 -2.293 106 HG13 ILE 18 2HG1 ILE 18 8.246 0.662 -3.580 107 HG21 ILE 18 1HG2 ILE 18 11.637 2.429 -3.528 108 HG22 ILE 18 2HG2 ILE 18 11.765 0.784 -4.196 109 HG23 ILE 18 3HG2 ILE 18 10.441 1.856 -4.715 110 HD11 ILE 18 3HD1 ILE 18 8.947 -1.613 -4.561 111 HD12 ILE 18 1HD1 ILE 18 9.690 -0.177 -5.304 112 HD13 ILE 18 2HD1 ILE 18 10.618 -1.160 -4.147 113 H ASP 19 H ASP 19 10.922 1.801 0.496 114 HA ASP 19 HA ASP 19 12.147 3.342 1.429 115 HB3 ASP 19 2HB ASP 19 14.414 1.453 0.639 116 H GLY 20 H GLY 20 11.632 4.766 -0.561 117 HA2 GLY 20 1HA GLY 20 13.766 6.284 -1.372 118 HA3 GLY 20 2HA GLY 20 13.609 5.054 -2.609 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.797 -4.078 0.827 2 HA2 GLY 1 1HA GLY 1 -14.351 -1.891 0.563 3 HA3 GLY 1 2HA GLY 1 -14.885 -1.638 2.213 4 H LEU 2 H LEU 2 -12.819 -3.631 3.266 5 HA LEU 2 HA LEU 2 -10.734 -1.708 3.595 6 HB2 LEU 2 1HB LEU 2 -11.766 -3.530 5.213 7 HB3 LEU 2 2HB LEU 2 -10.513 -4.538 4.515 8 HG LEU 2 HG LEU 2 -9.026 -2.373 5.150 9 HD11 LEU 2 1HD1 LEU 2 -11.344 -1.536 6.208 10 HD12 LEU 2 2HD1 LEU 2 -10.707 -2.449 7.597 11 HD13 LEU 2 3HD1 LEU 2 -9.753 -1.122 6.891 12 HD21 LEU 2 3HD2 LEU 2 -9.533 -4.996 6.268 13 HD22 LEU 2 1HD2 LEU 2 -8.007 -4.090 6.123 14 HD23 LEU 2 2HD2 LEU 2 -9.062 -3.836 7.534 15 H PHE 3 H PHE 3 -11.036 -4.976 2.055 16 HA PHE 3 HA PHE 3 -8.430 -5.180 1.190 17 HB2 PHE 3 1HB PHE 3 -10.791 -6.617 1.059 18 HB3 PHE 3 2HB PHE 3 -10.707 -6.055 -0.599 19 HD1 PHE 3 2HD PHE 3 -7.937 -7.095 1.664 20 HD2 PHE 3 1HD PHE 3 -10.180 -7.951 -1.835 21 HE1 PHE 3 2HE PHE 3 -6.358 -8.967 1.110 22 HE2 PHE 3 1HE PHE 3 -8.601 -9.823 -2.389 23 HZ PHE 3 HZ PHE 3 -6.709 -10.308 -0.910 24 H GLY 4 H GLY 4 -11.011 -3.076 0.077 25 HA2 GLY 4 1HA GLY 4 -9.782 -2.621 -2.522 26 HA3 GLY 4 2HA GLY 4 -11.255 -1.910 -1.892 27 H ALA 5 H ALA 5 -9.693 -1.347 0.763 28 HA ALA 5 HA ALA 5 -8.811 1.265 -0.073 29 HB1 ALA 5 1HB ALA 5 -8.958 1.814 2.195 30 HB2 ALA 5 2HB ALA 5 -10.199 0.547 2.036 31 HB3 ALA 5 3HB ALA 5 -8.606 0.152 2.725 32 H ILE 6 H ILE 6 -7.449 -1.888 0.755 33 HA ILE 6 HA ILE 6 -4.968 -1.286 1.649 34 HB ILE 6 HB ILE 6 -5.733 -3.397 -0.373 35 HG12 ILE 6 1HG1 ILE 6 -5.900 -3.282 2.639 36 HG13 ILE 6 2HG1 ILE 6 -7.165 -3.662 1.487 37 HG21 ILE 6 1HG2 ILE 6 -3.791 -4.626 0.408 38 HG22 ILE 6 2HG2 ILE 6 -3.300 -3.041 -0.236 39 HG23 ILE 6 3HG2 ILE 6 -3.369 -3.304 1.523 40 HD11 ILE 6 3HD1 ILE 6 -5.768 -5.706 0.795 41 HD12 ILE 6 1HD1 ILE 6 -4.747 -5.365 2.213 42 HD13 ILE 6 2HD1 ILE 6 -6.469 -5.761 2.430 43 H ALA 7 H ALA 7 -6.168 -1.142 -1.751 44 HA ALA 7 HA ALA 7 -3.841 -0.692 -3.074 45 HB1 ALA 7 1HB ALA 7 -5.312 0.735 -4.604 46 HB2 ALA 7 2HB ALA 7 -5.902 -0.910 -4.265 47 HB3 ALA 7 3HB ALA 7 -6.620 0.484 -3.422 48 H GLY 8 H GLY 8 -5.792 1.646 -1.137 49 HA2 GLY 8 1HA GLY 8 -4.257 3.927 -1.767 50 HA3 GLY 8 2HA GLY 8 -5.325 3.717 -0.394 51 H PHE 9 H PHE 9 -3.857 1.249 0.564 52 HA PHE 9 HA PHE 9 -1.922 2.655 2.123 53 HB2 PHE 9 1HB PHE 9 -3.585 0.401 2.339 54 HB3 PHE 9 2HB PHE 9 -2.020 -0.343 2.082 55 HD1 PHE 9 2HD PHE 9 -0.265 1.579 3.534 56 HD2 PHE 9 1HD PHE 9 -4.038 -0.056 4.580 57 HE1 PHE 9 2HE PHE 9 0.277 1.883 5.965 58 HE2 PHE 9 1HE PHE 9 -3.496 0.247 7.012 59 HZ PHE 9 HZ PHE 9 -1.344 1.214 7.676 60 H ILE 10 H ILE 10 -1.929 0.698 -0.807 61 HA ILE 10 HA ILE 10 0.646 -0.326 -0.703 62 HB ILE 10 HB ILE 10 -1.017 0.543 -3.069 63 HG12 ILE 10 1HG1 ILE 10 -0.875 -2.004 -1.460 64 HG13 ILE 10 2HG1 ILE 10 -2.281 -1.043 -1.874 65 HG21 ILE 10 1HG2 ILE 10 1.334 0.326 -3.688 66 HG22 ILE 10 2HG2 ILE 10 1.389 -1.297 -2.959 67 HG23 ILE 10 3HG2 ILE 10 0.364 -0.995 -4.382 68 HD11 ILE 10 3HD1 ILE 10 -0.584 -2.703 -3.791 69 HD12 ILE 10 1HD1 ILE 10 -2.265 -3.017 -3.297 70 HD13 ILE 10 2HD1 ILE 10 -1.886 -1.607 -4.313 71 H GLU 11 H GLU 11 -0.556 2.951 -1.233 72 HA GLU 11 HA GLU 11 1.637 3.956 -2.583 73 HB2 GLU 11 1HB GLU 11 -0.786 4.944 -1.498 74 HB3 GLU 11 2HB GLU 11 0.471 5.895 -0.730 75 HG2 GLU 11 1HG GLU 11 0.611 5.420 -3.717 76 HG3 GLU 11 2HG GLU 11 -0.513 6.614 -3.099 77 H ASN 12 H ASN 12 1.259 2.872 0.706 78 HA ASN 12 HA ASN 12 3.711 4.277 1.415 79 HB2 ASN 12 1HB ASN 12 1.983 2.866 3.464 80 HB3 ASN 12 2HB ASN 12 2.998 4.279 3.675 81 HD21 ASN 12 1HD2 ASN 12 1.899 6.028 4.065 82 HD22 ASN 12 2HD2 ASN 12 0.373 6.493 3.389 83 H ALA 13 H ALA 13 1.928 1.170 1.237 84 HA ALA 13 HA ALA 13 3.990 -0.356 2.494 85 HB1 ALA 13 1HB ALA 13 2.105 -1.797 0.761 86 HB2 ALA 13 2HB ALA 13 2.388 -1.947 2.512 87 HB3 ALA 13 3HB ALA 13 1.293 -0.688 1.892 88 H TRP 14 H TRP 14 3.555 1.112 -0.592 89 HA TRP 14 HA TRP 14 5.310 -0.854 -1.871 90 HB2 TRP 14 1HB TRP 14 3.136 -0.183 -2.944 91 HB3 TRP 14 2HB TRP 14 3.795 1.429 -3.142 92 HD1 TRP 14 HD TRP 14 6.282 -1.392 -3.727 93 HE1 TRP 14 1HE TRP 14 6.881 -1.666 -6.282 94 HE3 TRP 14 3HE TRP 14 2.661 1.733 -5.451 95 HZ2 TRP 14 2HZ TRP 14 5.798 -0.569 -8.683 96 HZ3 TRP 14 3HZ TRP 14 2.500 2.077 -7.915 97 HH2 TRP 14 HH TRP 14 3.994 0.985 -9.512 98 H GLU 15 H GLU 15 4.877 2.735 -2.206 99 HA GLU 15 HA GLU 15 7.320 3.399 -2.928 100 HB2 GLU 15 1HB GLU 15 5.109 4.774 -2.002 101 HB3 GLU 15 2HB GLU 15 6.298 5.185 -0.782 102 HG2 GLU 15 1HG GLU 15 6.617 6.859 -2.425 103 HG3 GLU 15 2HG GLU 15 7.899 5.716 -2.773 104 H GLY 16 H GLY 16 6.301 2.609 0.432 105 HA2 GLY 16 1HA GLY 16 8.719 3.326 1.701 106 HA3 GLY 16 2HA GLY 16 7.481 2.247 2.313 107 H MET 17 H MET 17 7.444 0.173 0.422 108 HA MET 17 HA MET 17 9.697 -1.263 1.238 109 HB2 MET 17 1HB MET 17 7.219 -1.671 -0.340 110 HB3 MET 17 2HB MET 17 8.553 -2.616 -0.972 111 HG2 MET 17 1HG MET 17 7.491 -4.011 0.676 112 HG3 MET 17 2HG MET 17 8.975 -3.447 1.419 113 HE1 MET 17 3HE MET 17 8.037 -2.510 4.546 114 HE2 MET 17 1HE MET 17 7.070 -3.958 4.173 115 HE3 MET 17 2HE MET 17 8.686 -3.758 3.454 116 H ILE 18 H ILE 18 9.359 1.108 -1.164 117 HA ILE 18 HA ILE 18 11.293 -0.136 -2.952 118 HB ILE 18 HB ILE 18 9.634 2.378 -3.142 119 HG12 ILE 18 1HG1 ILE 18 9.496 -0.122 -4.841 120 HG13 ILE 18 2HG1 ILE 18 8.533 0.090 -3.391 121 HG21 ILE 18 1HG2 ILE 18 11.115 3.158 -4.602 122 HG22 ILE 18 2HG2 ILE 18 12.071 1.658 -4.529 123 HG23 ILE 18 3HG2 ILE 18 10.702 1.786 -5.660 124 HD11 ILE 18 3HD1 ILE 18 7.245 1.810 -4.314 125 HD12 ILE 18 1HD1 ILE 18 8.530 2.303 -5.444 126 HD13 ILE 18 2HD1 ILE 18 7.583 0.831 -5.763 127 H ASP 19 H ASP 19 10.957 2.314 -0.417 128 HA ASP 19 HA ASP 19 13.716 3.083 -0.939 129 HB2 ASP 19 1HB ASP 19 13.254 5.142 0.251 130 HB3 ASP 19 2HB ASP 19 11.963 4.905 -0.910 131 H GLY 20 H GLY 20 14.148 4.219 1.719 132 HA2 GLY 20 1HA GLY 20 14.824 1.861 3.170 133 HA3 GLY 20 2HA GLY 20 15.030 3.525 3.678 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -14.790 -3.993 2.625 2 HA2 GLY 1 1HA GLY 1 -14.328 -1.930 0.592 3 HA3 GLY 1 2HA GLY 1 -14.853 -1.690 2.246 4 H LEU 2 H LEU 2 -12.774 -3.681 3.275 5 HA LEU 2 HA LEU 2 -10.695 -1.752 3.606 6 HB2 LEU 2 1HB LEU 2 -11.711 -3.590 5.216 7 HB3 LEU 2 2HB LEU 2 -10.458 -4.589 4.505 8 HG LEU 2 HG LEU 2 -8.900 -2.545 5.141 9 HD11 LEU 2 1HD1 LEU 2 -10.772 -2.279 7.454 10 HD12 LEU 2 2HD1 LEU 2 -9.568 -1.136 6.811 11 HD13 LEU 2 3HD1 LEU 2 -11.118 -1.364 5.967 12 HD21 LEU 2 3HD2 LEU 2 -9.775 -4.956 6.574 13 HD22 LEU 2 1HD2 LEU 2 -8.139 -4.361 6.205 14 HD23 LEU 2 2HD2 LEU 2 -9.022 -3.722 7.612 15 H PHE 3 H PHE 3 -10.992 -5.012 2.045 16 HA PHE 3 HA PHE 3 -8.390 -5.200 1.165 17 HB2 PHE 3 1HB PHE 3 -10.747 -6.645 1.037 18 HB3 PHE 3 2HB PHE 3 -10.673 -6.071 -0.618 19 HD1 PHE 3 1HD PHE 3 -8.781 -6.734 -2.074 20 HD2 PHE 3 2HD PHE 3 -9.249 -8.338 1.825 21 HE1 PHE 3 1HE PHE 3 -7.199 -8.594 -2.650 22 HE2 PHE 3 2HE PHE 3 -7.667 -10.199 1.251 23 HZ PHE 3 HZ PHE 3 -6.660 -10.305 -0.981 24 H GLY 4 H GLY 4 -10.985 -3.099 0.080 25 HA2 GLY 4 1HA GLY 4 -9.771 -2.620 -2.522 26 HA3 GLY 4 2HA GLY 4 -11.244 -1.921 -1.879 27 H ALA 5 H ALA 5 -9.668 -1.371 0.770 28 HA ALA 5 HA ALA 5 -8.804 1.252 -0.051 29 HB1 ALA 5 1HB ALA 5 -10.193 0.870 1.972 30 HB2 ALA 5 2HB ALA 5 -8.874 -0.093 2.681 31 HB3 ALA 5 3HB ALA 5 -8.639 1.643 2.368 32 H ILE 6 H ILE 6 -7.425 -1.902 0.749 33 HA ILE 6 HA ILE 6 -4.942 -1.294 1.637 34 HB ILE 6 HB ILE 6 -5.707 -3.393 -0.396 35 HG12 ILE 6 1HG1 ILE 6 -5.862 -3.300 2.617 36 HG13 ILE 6 2HG1 ILE 6 -7.129 -3.678 1.467 37 HG21 ILE 6 1HG2 ILE 6 -3.344 -3.329 1.500 38 HG22 ILE 6 2HG2 ILE 6 -3.754 -4.614 0.338 39 HG23 ILE 6 3HG2 ILE 6 -3.267 -3.005 -0.249 40 HD11 ILE 6 3HD1 ILE 6 -5.866 -5.743 0.783 41 HD12 ILE 6 1HD1 ILE 6 -4.653 -5.372 2.032 42 HD13 ILE 6 2HD1 ILE 6 -6.328 -5.752 2.502 43 H ALA 7 H ALA 7 -6.158 -1.131 -1.756 44 HA ALA 7 HA ALA 7 -3.838 -0.661 -3.086 45 HB1 ALA 7 1HB ALA 7 -6.215 1.053 -3.725 46 HB2 ALA 7 2HB ALA 7 -5.206 0.055 -4.801 47 HB3 ALA 7 3HB ALA 7 -6.426 -0.714 -3.758 48 H GLY 8 H GLY 8 -5.791 1.655 -1.125 49 HA2 GLY 8 1HA GLY 8 -4.270 3.948 -1.745 50 HA3 GLY 8 2HA GLY 8 -5.334 3.723 -0.370 51 H PHE 9 H PHE 9 -3.850 1.255 0.566 52 HA PHE 9 HA PHE 9 -1.914 2.660 2.128 53 HB2 PHE 9 1HB PHE 9 -3.474 0.758 2.865 54 HB3 PHE 9 2HB PHE 9 -2.594 -0.326 1.807 55 HD1 PHE 9 2HD PHE 9 -1.744 2.165 4.468 56 HD2 PHE 9 1HD PHE 9 -1.102 -1.712 2.865 57 HE1 PHE 9 2HE PHE 9 -0.130 1.664 6.325 58 HE2 PHE 9 1HE PHE 9 0.511 -2.212 4.721 59 HZ PHE 9 HZ PHE 9 0.978 -0.519 6.429 60 H ILE 10 H ILE 10 -1.924 0.723 -0.816 61 HA ILE 10 HA ILE 10 0.657 -0.289 -0.730 62 HB ILE 10 HB ILE 10 -1.020 0.589 -3.083 63 HG12 ILE 10 1HG1 ILE 10 -0.858 -1.970 -1.494 64 HG13 ILE 10 2HG1 ILE 10 -2.271 -1.013 -1.894 65 HG21 ILE 10 1HG2 ILE 10 1.326 0.388 -3.716 66 HG22 ILE 10 2HG2 ILE 10 1.397 -1.238 -2.994 67 HG23 ILE 10 3HG2 ILE 10 0.363 -0.937 -4.411 68 HD11 ILE 10 3HD1 ILE 10 -2.321 -2.913 -3.363 69 HD12 ILE 10 1HD1 ILE 10 -1.788 -1.542 -4.365 70 HD13 ILE 10 2HD1 ILE 10 -0.600 -2.728 -3.774 71 H GLU 11 H GLU 11 -0.563 2.986 -1.233 72 HA GLU 11 HA GLU 11 1.619 4.011 -2.583 73 HB2 GLU 11 1HB GLU 11 -0.627 5.107 -0.939 74 HB3 GLU 11 2HB GLU 11 0.752 6.167 -1.155 75 HG2 GLU 11 1HG GLU 11 0.560 5.502 -3.704 76 HG3 GLU 11 2HG GLU 11 -1.056 4.972 -3.280 77 H ASN 12 H ASN 12 1.259 2.902 0.700 78 HA ASN 12 HA ASN 12 3.707 4.313 1.410 79 HB2 ASN 12 1HB ASN 12 1.323 3.339 2.999 80 HB3 ASN 12 2HB ASN 12 2.877 3.384 3.808 81 HD21 ASN 12 1HD2 ASN 12 4.163 5.460 3.351 82 HD22 ASN 12 2HD2 ASN 12 3.302 6.955 3.519 83 H ALA 13 H ALA 13 1.939 1.200 1.216 84 HA ALA 13 HA ALA 13 4.012 -0.325 2.454 85 HB1 ALA 13 1HB ALA 13 1.329 -0.675 1.934 86 HB2 ALA 13 2HB ALA 13 2.081 -1.709 0.695 87 HB3 ALA 13 3HB ALA 13 2.451 -1.970 2.417 88 H TRP 14 H TRP 14 3.559 1.162 -0.620 89 HA TRP 14 HA TRP 14 5.318 -0.785 -1.919 90 HB2 TRP 14 1HB TRP 14 3.137 -0.118 -2.978 91 HB3 TRP 14 2HB TRP 14 3.787 1.499 -3.169 92 HD1 TRP 14 HD TRP 14 6.286 -1.307 -3.782 93 HE1 TRP 14 1HE TRP 14 6.876 -1.560 -6.341 94 HE3 TRP 14 3HE TRP 14 2.643 1.813 -5.471 95 HZ2 TRP 14 2HZ TRP 14 5.779 -0.452 -8.732 96 HZ3 TRP 14 3HZ TRP 14 2.472 2.174 -7.931 97 HH2 TRP 14 HH TRP 14 3.965 1.101 -9.542 98 H GLU 15 H GLU 15 4.867 2.802 -2.227 99 HA GLU 15 HA GLU 15 7.304 3.484 -2.954 100 HB2 GLU 15 1HB GLU 15 5.504 4.906 -0.951 101 HB3 GLU 15 2HB GLU 15 6.935 5.654 -1.633 102 HG2 GLU 15 1HG GLU 15 6.046 5.455 -3.904 103 HG3 GLU 15 2HG GLU 15 4.699 4.480 -3.347 104 H GLY 16 H GLY 16 6.297 2.728 0.425 105 HA2 GLY 16 1HA GLY 16 8.769 3.401 1.634 106 HA3 GLY 16 2HA GLY 16 7.490 2.411 2.308 107 H MET 17 H MET 17 7.324 0.294 0.435 108 HA MET 17 HA MET 17 9.478 -1.256 1.300 109 HB2 MET 17 1HB MET 17 7.125 -1.559 -0.581 110 HB3 MET 17 2HB MET 17 8.393 -2.763 -0.695 111 HG2 MET 17 1HG MET 17 7.236 -2.033 2.018 112 HG3 MET 17 2HG MET 17 6.388 -3.159 0.977 113 HE1 MET 17 3HE MET 17 6.889 -5.431 0.600 114 HE2 MET 17 1HE MET 17 8.309 -5.093 -0.419 115 HE3 MET 17 2HE MET 17 8.422 -6.286 0.896 116 H ILE 18 H ILE 18 9.313 1.092 -1.142 117 HA ILE 18 HA ILE 18 11.193 -0.293 -2.884 118 HB ILE 18 HB ILE 18 9.559 2.220 -3.114 119 HG12 ILE 18 1HG1 ILE 18 9.642 -0.435 -4.554 120 HG13 ILE 18 2HG1 ILE 18 8.313 0.278 -3.662 121 HG21 ILE 18 1HG2 ILE 18 11.817 2.717 -3.959 122 HG22 ILE 18 2HG2 ILE 18 11.713 1.307 -5.041 123 HG23 ILE 18 3HG2 ILE 18 10.601 2.680 -5.259 124 HD11 ILE 18 3HD1 ILE 18 9.373 1.013 -6.395 125 HD12 ILE 18 1HD1 ILE 18 7.693 0.740 -5.875 126 HD13 ILE 18 2HD1 ILE 18 8.531 2.245 -5.425 127 H ASP 19 H ASP 19 10.940 2.323 -0.478 128 HA ASP 19 HA ASP 19 13.738 2.927 -0.969 129 HB2 ASP 19 1HB ASP 19 13.367 4.998 0.183 130 HB3 ASP 19 2HB ASP 19 11.981 4.780 -0.865 131 H GLY 20 H GLY 20 14.116 4.055 1.756 132 HA2 GLY 20 1HA GLY 20 14.439 1.535 3.217 133 HA3 GLY 20 2HA GLY 20 15.266 3.050 3.518 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -13.805 -4.402 1.293 2 HA2 GLY 1 1HA GLY 1 -14.297 -2.067 0.451 3 HA3 GLY 1 2HA GLY 1 -14.866 -1.760 2.081 4 H LEU 2 H LEU 2 -12.780 -3.666 3.247 5 HA LEU 2 HA LEU 2 -10.741 -1.687 3.537 6 HB2 LEU 2 1HB LEU 2 -11.764 -3.467 5.206 7 HB3 LEU 2 2HB LEU 2 -10.477 -4.474 4.571 8 HG LEU 2 HG LEU 2 -9.139 -2.135 5.159 9 HD11 LEU 2 1HD1 LEU 2 -11.567 -1.818 6.448 10 HD12 LEU 2 2HD1 LEU 2 -10.497 -2.445 7.725 11 HD13 LEU 2 3HD1 LEU 2 -10.047 -0.973 6.830 12 HD21 LEU 2 3HD2 LEU 2 -8.310 -3.401 7.160 13 HD22 LEU 2 1HD2 LEU 2 -9.536 -4.642 6.806 14 HD23 LEU 2 2HD2 LEU 2 -8.250 -4.299 5.625 15 H PHE 3 H PHE 3 -10.947 -5.019 2.122 16 HA PHE 3 HA PHE 3 -8.322 -5.203 1.311 17 HB2 PHE 3 1HB PHE 3 -10.651 -6.692 1.196 18 HB3 PHE 3 2HB PHE 3 -10.547 -6.194 -0.482 19 HD1 PHE 3 2HD PHE 3 -7.850 -7.143 1.915 20 HD2 PHE 3 1HD PHE 3 -9.907 -8.069 -1.680 21 HE1 PHE 3 2HE PHE 3 -6.225 -9.001 1.464 22 HE2 PHE 3 1HE PHE 3 -8.281 -9.926 -2.131 23 HZ PHE 3 HZ PHE 3 -6.459 -10.370 -0.554 24 H GLY 4 H GLY 4 -10.924 -3.198 0.071 25 HA2 GLY 4 1HA GLY 4 -9.658 -2.818 -2.522 26 HA3 GLY 4 2HA GLY 4 -11.156 -2.115 -1.946 27 H ALA 5 H ALA 5 -9.654 -1.417 0.711 28 HA ALA 5 HA ALA 5 -8.811 1.179 -0.212 29 HB1 ALA 5 1HB ALA 5 -8.387 0.599 2.617 30 HB2 ALA 5 2HB ALA 5 -9.465 1.793 1.854 31 HB3 ALA 5 3HB ALA 5 -10.018 0.118 2.091 32 H ILE 6 H ILE 6 -7.401 -1.910 0.764 33 HA ILE 6 HA ILE 6 -4.949 -1.221 1.679 34 HB ILE 6 HB ILE 6 -5.633 -3.425 -0.270 35 HG12 ILE 6 1HG1 ILE 6 -5.859 -3.195 2.730 36 HG13 ILE 6 2HG1 ILE 6 -7.094 -3.648 1.572 37 HG21 ILE 6 1HG2 ILE 6 -3.403 -3.529 1.741 38 HG22 ILE 6 2HG2 ILE 6 -3.646 -4.489 0.263 39 HG23 ILE 6 3HG2 ILE 6 -3.151 -2.783 0.145 40 HD11 ILE 6 3HD1 ILE 6 -6.185 -5.620 2.811 41 HD12 ILE 6 1HD1 ILE 6 -5.911 -5.749 1.057 42 HD13 ILE 6 2HD1 ILE 6 -4.574 -5.279 2.135 43 H ALA 7 H ALA 7 -6.087 -1.235 -1.745 44 HA ALA 7 HA ALA 7 -3.746 -0.789 -3.042 45 HB1 ALA 7 1HB ALA 7 -5.353 0.736 -4.519 46 HB2 ALA 7 2HB ALA 7 -5.581 -1.026 -4.432 47 HB3 ALA 7 3HB ALA 7 -6.601 0.052 -3.451 48 H GLY 8 H GLY 8 -5.781 1.583 -1.237 49 HA2 GLY 8 1HA GLY 8 -4.281 3.869 -1.929 50 HA3 GLY 8 2HA GLY 8 -5.372 3.690 -0.569 51 H PHE 9 H PHE 9 -3.873 1.295 0.515 52 HA PHE 9 HA PHE 9 -1.996 2.802 2.052 53 HB2 PHE 9 1HB PHE 9 -3.557 0.894 2.815 54 HB3 PHE 9 2HB PHE 9 -2.587 -0.213 1.863 55 HD1 PHE 9 1HD PHE 9 -1.666 2.551 4.206 56 HD2 PHE 9 2HD PHE 9 -1.395 -1.582 3.280 57 HE1 PHE 9 1HE PHE 9 -0.131 2.213 6.163 58 HE2 PHE 9 2HE PHE 9 0.141 -1.920 5.236 59 HZ PHE 9 HZ PHE 9 0.755 -0.018 6.654 60 H ILE 10 H ILE 10 -1.907 0.731 -0.797 61 HA ILE 10 HA ILE 10 0.686 -0.232 -0.606 62 HB ILE 10 HB ILE 10 -0.950 0.506 -3.035 63 HG12 ILE 10 1HG1 ILE 10 -0.784 -1.972 -1.325 64 HG13 ILE 10 2HG1 ILE 10 -2.202 -1.059 -1.801 65 HG21 ILE 10 1HG2 ILE 10 1.421 0.316 -3.596 66 HG22 ILE 10 2HG2 ILE 10 1.490 -1.280 -2.810 67 HG23 ILE 10 3HG2 ILE 10 0.489 -1.046 -4.263 68 HD11 ILE 10 3HD1 ILE 10 -1.736 -1.705 -4.213 69 HD12 ILE 10 1HD1 ILE 10 -0.438 -2.766 -3.611 70 HD13 ILE 10 2HD1 ILE 10 -2.128 -3.078 -3.149 71 H GLU 11 H GLU 11 -0.573 2.995 -1.288 72 HA GLU 11 HA GLU 11 1.624 3.993 -2.635 73 HB2 GLU 11 1HB GLU 11 -0.383 5.374 -0.802 74 HB3 GLU 11 2HB GLU 11 0.768 6.236 -1.806 75 HG2 GLU 11 1HG GLU 11 -0.258 5.533 -3.825 76 HG3 GLU 11 2HG GLU 11 -1.031 4.154 -3.072 77 H ASN 12 H ASN 12 1.205 3.031 0.687 78 HA ASN 12 HA ASN 12 3.614 4.515 1.385 79 HB2 ASN 12 1HB ASN 12 1.190 3.614 2.943 80 HB3 ASN 12 2HB ASN 12 2.719 3.643 3.801 81 HD21 ASN 12 1HD2 ASN 12 0.440 5.538 1.904 82 HD22 ASN 12 2HD2 ASN 12 0.873 7.104 2.507 83 H ALA 13 H ALA 13 1.899 1.366 1.296 84 HA ALA 13 HA ALA 13 3.968 -0.065 2.651 85 HB1 ALA 13 1HB ALA 13 2.561 -1.918 2.380 86 HB2 ALA 13 2HB ALA 13 1.406 -0.563 2.416 87 HB3 ALA 13 3HB ALA 13 1.869 -1.297 0.862 88 H TRP 14 H TRP 14 3.562 1.271 -0.499 89 HA TRP 14 HA TRP 14 5.381 -0.705 -1.666 90 HB2 TRP 14 1HB TRP 14 3.215 -0.124 -2.804 91 HB3 TRP 14 2HB TRP 14 3.844 1.493 -3.055 92 HD1 TRP 14 HD TRP 14 6.401 -1.296 -3.480 93 HE1 TRP 14 1HE TRP 14 7.055 -1.657 -6.011 94 HE3 TRP 14 3HE TRP 14 2.749 1.681 -5.394 95 HZ2 TRP 14 2HZ TRP 14 5.996 -0.679 -8.474 96 HZ3 TRP 14 3HZ TRP 14 2.629 1.924 -7.872 97 HH2 TRP 14 HH TRP 14 4.176 0.803 -9.397 98 H GLU 15 H GLU 15 4.880 2.857 -2.151 99 HA GLU 15 HA GLU 15 7.323 3.545 -2.854 100 HB2 GLU 15 1HB GLU 15 6.794 5.759 -2.234 101 HB3 GLU 15 2HB GLU 15 5.221 5.007 -2.414 102 HG2 GLU 15 1HG GLU 15 5.151 4.590 0.062 103 HG3 GLU 15 2HG GLU 15 6.709 5.374 0.230 104 H GLY 16 H GLY 16 6.281 2.715 0.468 105 HA2 GLY 16 1HA GLY 16 8.674 3.573 1.756 106 HA3 GLY 16 2HA GLY 16 7.423 2.529 2.406 107 H MET 17 H MET 17 7.387 0.350 0.666 108 HA MET 17 HA MET 17 9.638 -1.039 1.555 109 HB2 MET 17 1HB MET 17 7.227 -1.538 -0.171 110 HB3 MET 17 2HB MET 17 8.572 -2.628 -0.441 111 HG2 MET 17 1HG MET 17 8.534 -2.683 2.283 112 HG3 MET 17 2HG MET 17 6.845 -2.308 1.998 113 HE1 MET 17 3HE MET 17 9.509 -5.249 1.955 114 HE2 MET 17 1HE MET 17 9.116 -5.951 0.367 115 HE3 MET 17 2HE MET 17 9.712 -4.278 0.477 116 H ILE 18 H ILE 18 9.305 1.188 -0.981 117 HA ILE 18 HA ILE 18 11.258 -0.163 -2.675 118 HB ILE 18 HB ILE 18 9.513 2.266 -3.055 119 HG12 ILE 18 1HG1 ILE 18 9.567 -0.429 -4.447 120 HG13 ILE 18 2HG1 ILE 18 8.407 0.064 -3.228 121 HG21 ILE 18 1HG2 ILE 18 11.949 1.408 -4.508 122 HG22 ILE 18 2HG2 ILE 18 10.545 1.849 -5.510 123 HG23 ILE 18 3HG2 ILE 18 11.208 3.018 -4.342 124 HD11 ILE 18 3HD1 ILE 18 7.157 1.138 -4.778 125 HD12 ILE 18 1HD1 ILE 18 8.558 2.111 -5.287 126 HD13 ILE 18 2HD1 ILE 18 8.262 0.521 -6.030 127 H ASP 19 H ASP 19 10.804 2.623 -0.483 128 HA ASP 19 HA ASP 19 13.289 3.773 -1.159 129 HB2 ASP 19 1HB ASP 19 11.103 4.744 0.050 130 HB3 ASP 19 2HB ASP 19 11.929 4.221 1.505 131 H GLY 20 H GLY 20 11.964 2.013 1.752 132 HA2 GLY 20 1HA GLY 20 12.972 0.497 3.108 133 HA3 GLY 20 2HA GLY 20 14.431 0.589 2.141 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -13.973 -4.449 1.094 2 HA2 GLY 1 1HA GLY 1 -14.337 -2.160 0.327 3 HA3 GLY 1 2HA GLY 1 -14.944 -1.780 1.926 4 H LEU 2 H LEU 2 -12.869 -3.609 3.229 5 HA LEU 2 HA LEU 2 -10.853 -1.601 3.465 6 HB2 LEU 2 1HB LEU 2 -11.897 -3.307 5.196 7 HB3 LEU 2 2HB LEU 2 -10.590 -4.332 4.638 8 HG LEU 2 HG LEU 2 -8.968 -2.530 5.241 9 HD11 LEU 2 1HD1 LEU 2 -10.606 -1.073 7.086 10 HD12 LEU 2 2HD1 LEU 2 -9.627 -0.470 5.727 11 HD13 LEU 2 3HD1 LEU 2 -11.317 -0.960 5.457 12 HD21 LEU 2 3HD2 LEU 2 -9.204 -4.331 6.766 13 HD22 LEU 2 1HD2 LEU 2 -9.222 -2.837 7.733 14 HD23 LEU 2 2HD2 LEU 2 -10.744 -3.695 7.393 15 H PHE 3 H PHE 3 -11.002 -4.999 2.209 16 HA PHE 3 HA PHE 3 -8.359 -5.197 1.464 17 HB2 PHE 3 1HB PHE 3 -10.672 -6.712 1.372 18 HB3 PHE 3 2HB PHE 3 -10.537 -6.293 -0.325 19 HD1 PHE 3 2HD PHE 3 -8.106 -6.680 -1.344 20 HD2 PHE 3 1HD PHE 3 -9.634 -8.639 2.096 21 HE1 PHE 3 2HE PHE 3 -6.456 -8.542 -1.671 22 HE2 PHE 3 1HE PHE 3 -7.983 -10.502 1.768 23 HZ PHE 3 HZ PHE 3 -6.414 -10.431 -0.111 24 H GLY 4 H GLY 4 -10.950 -3.279 0.073 25 HA2 GLY 4 1HA GLY 4 -9.631 -3.013 -2.507 26 HA3 GLY 4 2HA GLY 4 -11.147 -2.298 -1.999 27 H ALA 5 H ALA 5 -9.708 -1.459 0.653 28 HA ALA 5 HA ALA 5 -8.869 1.100 -0.375 29 HB1 ALA 5 1HB ALA 5 -8.971 1.795 1.911 30 HB2 ALA 5 2HB ALA 5 -10.346 0.690 1.669 31 HB3 ALA 5 3HB ALA 5 -8.879 0.118 2.500 32 H ILE 6 H ILE 6 -7.453 -1.926 0.777 33 HA ILE 6 HA ILE 6 -5.029 -1.169 1.711 34 HB ILE 6 HB ILE 6 -5.649 -3.469 -0.146 35 HG12 ILE 6 1HG1 ILE 6 -5.944 -3.101 2.835 36 HG13 ILE 6 2HG1 ILE 6 -7.149 -3.620 1.672 37 HG21 ILE 6 1HG2 ILE 6 -3.655 -4.460 0.420 38 HG22 ILE 6 2HG2 ILE 6 -3.175 -2.747 0.348 39 HG23 ILE 6 3HG2 ILE 6 -3.482 -3.520 1.922 40 HD11 ILE 6 3HD1 ILE 6 -4.797 -5.174 2.779 41 HD12 ILE 6 1HD1 ILE 6 -6.509 -5.649 2.683 42 HD13 ILE 6 2HD1 ILE 6 -5.509 -5.627 1.212 43 H ALA 7 H ALA 7 -6.090 -1.358 -1.732 44 HA ALA 7 HA ALA 7 -3.724 -0.949 -2.998 45 HB1 ALA 7 1HB ALA 7 -5.037 -0.509 -4.824 46 HB2 ALA 7 2HB ALA 7 -6.319 -1.093 -3.737 47 HB3 ALA 7 3HB ALA 7 -6.058 0.655 -3.945 48 H GLY 8 H GLY 8 -5.821 1.481 -1.349 49 HA2 GLY 8 1HA GLY 8 -4.331 3.751 -2.118 50 HA3 GLY 8 2HA GLY 8 -5.448 3.624 -0.775 51 H PHE 9 H PHE 9 -3.950 1.299 0.454 52 HA PHE 9 HA PHE 9 -2.122 2.898 1.957 53 HB2 PHE 9 1HB PHE 9 -3.737 0.655 2.343 54 HB3 PHE 9 2HB PHE 9 -2.172 -0.108 2.143 55 HD1 PHE 9 1HD PHE 9 -4.187 2.086 4.267 56 HD2 PHE 9 2HD PHE 9 -0.420 0.189 3.796 57 HE1 PHE 9 1HE PHE 9 -3.645 2.566 6.670 58 HE2 PHE 9 2HE PHE 9 0.121 0.669 6.200 59 HZ PHE 9 HZ PHE 9 -1.497 1.852 7.608 60 H ILE 10 H ILE 10 -1.949 0.696 -0.787 61 HA ILE 10 HA ILE 10 0.647 -0.229 -0.494 62 HB ILE 10 HB ILE 10 -0.940 0.377 -2.991 63 HG12 ILE 10 1HG1 ILE 10 -0.789 -2.016 -1.161 64 HG13 ILE 10 2HG1 ILE 10 -2.205 -1.142 -1.711 65 HG21 ILE 10 1HG2 ILE 10 0.539 -1.236 -4.102 66 HG22 ILE 10 2HG2 ILE 10 1.431 0.186 -3.509 67 HG23 ILE 10 3HG2 ILE 10 1.520 -1.353 -2.621 68 HD11 ILE 10 3HD1 ILE 10 -1.488 -1.878 -4.115 69 HD12 ILE 10 1HD1 ILE 10 -0.448 -3.055 -3.278 70 HD13 ILE 10 2HD1 ILE 10 -2.212 -3.101 -3.043 71 H GLU 11 H GLU 11 -0.628 2.947 -1.356 72 HA GLU 11 HA GLU 11 1.588 3.905 -2.703 73 HB2 GLU 11 1HB GLU 11 -0.706 5.135 -1.191 74 HB3 GLU 11 2HB GLU 11 0.637 6.175 -1.621 75 HG2 GLU 11 1HG GLU 11 -0.025 4.537 -3.918 76 HG3 GLU 11 2HG GLU 11 -1.502 5.255 -3.308 77 H ASN 12 H ASN 12 1.106 3.098 0.652 78 HA ASN 12 HA ASN 12 3.484 4.639 1.330 79 HB2 ASN 12 1HB ASN 12 1.015 3.833 2.851 80 HB3 ASN 12 2HB ASN 12 2.513 3.826 3.761 81 HD21 ASN 12 1HD2 ASN 12 0.656 5.802 1.464 82 HD22 ASN 12 2HD2 ASN 12 1.026 7.349 2.150 83 H ALA 13 H ALA 13 1.803 1.471 1.355 84 HA ALA 13 HA ALA 13 3.855 0.128 2.820 85 HB1 ALA 13 1HB ALA 13 1.206 -0.418 1.710 86 HB2 ALA 13 2HB ALA 13 2.335 -1.763 1.420 87 HB3 ALA 13 3HB ALA 13 2.045 -1.187 3.078 88 H TRP 14 H TRP 14 3.504 1.308 -0.398 89 HA TRP 14 HA TRP 14 5.369 -0.700 -1.430 90 HB2 TRP 14 1HB TRP 14 3.223 -0.197 -2.641 91 HB3 TRP 14 2HB TRP 14 3.841 1.412 -2.955 92 HD1 TRP 14 HD TRP 14 6.434 -1.365 -3.191 93 HE1 TRP 14 1HE TRP 14 7.147 -1.839 -5.688 94 HE3 TRP 14 3HE TRP 14 2.796 1.478 -5.324 95 HZ2 TRP 14 2HZ TRP 14 6.133 -0.990 -8.216 96 HZ3 TRP 14 3HZ TRP 14 2.728 1.602 -7.812 97 HH2 TRP 14 HH TRP 14 4.319 0.426 -9.248 98 H GLU 15 H GLU 15 4.844 2.829 -2.095 99 HA GLU 15 HA GLU 15 7.294 3.510 -2.777 100 HB2 GLU 15 1HB GLU 15 6.730 5.746 -2.275 101 HB3 GLU 15 2HB GLU 15 5.170 4.969 -2.453 102 HG2 GLU 15 1HG GLU 15 5.046 4.668 0.036 103 HG3 GLU 15 2HG GLU 15 6.594 5.473 0.204 104 H GLY 16 H GLY 16 6.210 2.734 0.529 105 HA2 GLY 16 1HA GLY 16 8.484 3.740 1.895 106 HA3 GLY 16 2HA GLY 16 7.310 2.583 2.489 107 H MET 17 H MET 17 7.511 0.409 0.794 108 HA MET 17 HA MET 17 9.881 -0.751 1.713 109 HB2 MET 17 1HB MET 17 7.457 -1.499 0.184 110 HB3 MET 17 2HB MET 17 8.872 -2.356 -0.396 111 HG2 MET 17 1HG MET 17 8.713 -2.263 2.563 112 HG3 MET 17 2HG MET 17 7.341 -3.071 1.830 113 HE1 MET 17 3HE MET 17 8.506 -6.165 0.313 114 HE2 MET 17 1HE MET 17 7.784 -5.895 1.918 115 HE3 MET 17 2HE MET 17 7.264 -4.909 0.531 116 H ILE 18 H ILE 18 9.344 1.395 -0.857 117 HA ILE 18 HA ILE 18 11.331 0.195 -2.598 118 HB ILE 18 HB ILE 18 9.622 2.671 -2.845 119 HG12 ILE 18 1HG1 ILE 18 9.416 0.139 -4.473 120 HG13 ILE 18 2HG1 ILE 18 8.580 0.306 -2.942 121 HG21 ILE 18 1HG2 ILE 18 12.047 2.242 -4.095 122 HG22 ILE 18 2HG2 ILE 18 10.862 1.651 -5.286 123 HG23 ILE 18 3HG2 ILE 18 10.744 3.314 -4.661 124 HD11 ILE 18 3HD1 ILE 18 8.188 2.710 -4.546 125 HD12 ILE 18 1HD1 ILE 18 7.723 1.260 -5.469 126 HD13 ILE 18 2HD1 ILE 18 6.971 1.588 -3.889 127 H ASP 19 H ASP 19 10.929 2.771 -0.181 128 HA ASP 19 HA ASP 19 13.205 4.204 -0.865 129 HB2 ASP 19 1HB ASP 19 11.358 3.977 1.462 130 HB3 ASP 19 2HB ASP 19 12.965 4.540 1.878 131 H GLY 20 H GLY 20 12.684 2.161 2.114 132 HA2 GLY 20 1HA GLY 20 15.545 1.458 2.057 133 HA3 GLY 20 2HA GLY 20 14.497 1.451 3.461 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -14.830 -3.983 2.514 2 HA2 GLY 1 1HA GLY 1 -14.420 -1.960 0.412 3 HA3 GLY 1 2HA GLY 1 -14.982 -1.670 2.045 4 H LEU 2 H LEU 2 -12.925 -3.625 3.181 5 HA LEU 2 HA LEU 2 -10.857 -1.684 3.500 6 HB2 LEU 2 1HB LEU 2 -11.903 -3.476 5.140 7 HB3 LEU 2 2HB LEU 2 -10.634 -4.492 4.486 8 HG LEU 2 HG LEU 2 -9.018 -2.585 5.116 9 HD11 LEU 2 1HD1 LEU 2 -10.881 -0.929 5.486 10 HD12 LEU 2 2HD1 LEU 2 -11.266 -1.808 6.985 11 HD13 LEU 2 3HD1 LEU 2 -9.675 -1.033 6.791 12 HD21 LEU 2 3HD2 LEU 2 -9.940 -4.845 6.475 13 HD22 LEU 2 1HD2 LEU 2 -8.438 -3.938 6.780 14 HD23 LEU 2 2HD2 LEU 2 -9.913 -3.552 7.698 15 H PHE 3 H PHE 3 -11.112 -4.989 2.030 16 HA PHE 3 HA PHE 3 -8.491 -5.195 1.212 17 HB2 PHE 3 1HB PHE 3 -10.841 -6.649 1.075 18 HB3 PHE 3 2HB PHE 3 -10.733 -6.125 -0.593 19 HD1 PHE 3 2HD PHE 3 -8.716 -7.794 2.057 20 HD2 PHE 3 1HD PHE 3 -9.451 -7.346 -2.098 21 HE1 PHE 3 2HE PHE 3 -7.116 -9.667 1.572 22 HE2 PHE 3 1HE PHE 3 -7.852 -9.219 -2.584 23 HZ PHE 3 HZ PHE 3 -6.704 -10.357 -0.743 24 H GLY 4 H GLY 4 -11.066 -3.134 0.010 25 HA2 GLY 4 1HA GLY 4 -9.795 -2.728 -2.577 26 HA3 GLY 4 2HA GLY 4 -11.286 -2.016 -1.991 27 H ALA 5 H ALA 5 -9.766 -1.387 0.678 28 HA ALA 5 HA ALA 5 -8.895 1.217 -0.201 29 HB1 ALA 5 1HB ALA 5 -8.562 1.437 2.363 30 HB2 ALA 5 2HB ALA 5 -10.222 1.236 1.752 31 HB3 ALA 5 3HB ALA 5 -9.361 -0.151 2.461 32 H ILE 6 H ILE 6 -7.524 -1.906 0.721 33 HA ILE 6 HA ILE 6 -5.067 -1.265 1.651 34 HB ILE 6 HB ILE 6 -5.775 -3.423 -0.340 35 HG12 ILE 6 1HG1 ILE 6 -6.003 -3.247 2.664 36 HG13 ILE 6 2HG1 ILE 6 -7.242 -3.661 1.496 37 HG21 ILE 6 1HG2 ILE 6 -3.313 -2.920 -0.044 38 HG22 ILE 6 2HG2 ILE 6 -3.500 -3.432 1.650 39 HG23 ILE 6 3HG2 ILE 6 -3.823 -4.582 0.333 40 HD11 ILE 6 3HD1 ILE 6 -4.749 -5.334 2.066 41 HD12 ILE 6 1HD1 ILE 6 -6.385 -5.678 2.677 42 HD13 ILE 6 2HD1 ILE 6 -6.052 -5.761 0.931 43 H ALA 7 H ALA 7 -6.199 -1.204 -1.774 44 HA ALA 7 HA ALA 7 -3.849 -0.761 -3.059 45 HB1 ALA 7 1HB ALA 7 -6.392 0.782 -3.663 46 HB2 ALA 7 2HB ALA 7 -5.173 0.167 -4.805 47 HB3 ALA 7 3HB ALA 7 -6.250 -0.968 -3.956 48 H GLY 8 H GLY 8 -5.859 1.601 -1.213 49 HA2 GLY 8 1HA GLY 8 -4.332 3.882 -1.860 50 HA3 GLY 8 2HA GLY 8 -5.427 3.691 -0.506 51 H PHE 9 H PHE 9 -3.958 1.258 0.536 52 HA PHE 9 HA PHE 9 -2.067 2.714 2.104 53 HB2 PHE 9 1HB PHE 9 -3.724 0.488 2.377 54 HB3 PHE 9 2HB PHE 9 -2.183 -0.296 2.091 55 HD1 PHE 9 2HD PHE 9 -0.201 1.016 3.526 56 HD2 PHE 9 1HD PHE 9 -4.289 0.630 4.595 57 HE1 PHE 9 2HE PHE 9 0.404 1.321 5.943 58 HE2 PHE 9 1HE PHE 9 -3.685 0.935 7.012 59 HZ PHE 9 HZ PHE 9 -1.347 1.276 7.657 60 H ILE 10 H ILE 10 -1.996 0.696 -0.784 61 HA ILE 10 HA ILE 10 0.585 -0.302 -0.604 62 HB ILE 10 HB ILE 10 -1.037 0.501 -3.023 63 HG12 ILE 10 1HG1 ILE 10 -0.906 -2.009 -1.357 64 HG13 ILE 10 2HG1 ILE 10 -2.311 -1.071 -1.819 65 HG21 ILE 10 1HG2 ILE 10 1.319 0.295 -3.600 66 HG22 ILE 10 2HG2 ILE 10 1.391 -1.302 -2.818 67 HG23 ILE 10 3HG2 ILE 10 0.385 -1.066 -4.267 68 HD11 ILE 10 3HD1 ILE 10 -0.610 -2.881 -3.570 69 HD12 ILE 10 1HD1 ILE 10 -2.360 -2.968 -3.259 70 HD13 ILE 10 2HD1 ILE 10 -1.702 -1.664 -4.275 71 H GLU 11 H GLU 11 -0.634 2.951 -1.230 72 HA GLU 11 HA GLU 11 1.576 3.948 -2.555 73 HB2 GLU 11 1HB GLU 11 0.628 6.078 -2.185 74 HB3 GLU 11 2HB GLU 11 -0.759 5.007 -2.151 75 HG2 GLU 11 1HG GLU 11 -0.538 4.912 0.386 76 HG3 GLU 11 2HG GLU 11 0.723 6.123 0.274 77 H ASN 12 H ASN 12 1.140 2.930 0.748 78 HA ASN 12 HA ASN 12 3.566 4.372 1.477 79 HB2 ASN 12 1HB ASN 12 1.183 3.366 3.074 80 HB3 ASN 12 2HB ASN 12 2.721 3.582 3.884 81 HD21 ASN 12 1HD2 ASN 12 0.211 4.987 4.250 82 HD22 ASN 12 2HD2 ASN 12 0.506 6.673 3.981 83 H ALA 13 H ALA 13 1.813 1.246 1.328 84 HA ALA 13 HA ALA 13 3.861 -0.235 2.659 85 HB1 ALA 13 1HB ALA 13 1.165 -0.606 1.800 86 HB2 ALA 13 2HB ALA 13 2.151 -1.867 1.018 87 HB3 ALA 13 3HB ALA 13 2.164 -1.697 2.791 88 H TRP 14 H TRP 14 3.478 1.164 -0.465 89 HA TRP 14 HA TRP 14 5.275 -0.812 -1.666 90 HB2 TRP 14 1HB TRP 14 3.119 -0.184 -2.796 91 HB3 TRP 14 2HB TRP 14 3.766 1.429 -3.017 92 HD1 TRP 14 HD TRP 14 6.290 -1.382 -3.489 93 HE1 TRP 14 1HE TRP 14 6.945 -1.704 -6.025 94 HE3 TRP 14 3HE TRP 14 2.679 1.674 -5.354 95 HZ2 TRP 14 2HZ TRP 14 5.902 -0.668 -8.471 96 HZ3 TRP 14 3HZ TRP 14 2.567 1.964 -7.827 97 HH2 TRP 14 HH TRP 14 4.103 0.852 -9.370 98 H GLU 15 H GLU 15 4.818 2.764 -2.086 99 HA GLU 15 HA GLU 15 7.270 3.437 -2.772 100 HB2 GLU 15 1HB GLU 15 6.766 5.645 -2.112 101 HB3 GLU 15 2HB GLU 15 5.186 4.915 -2.310 102 HG2 GLU 15 1HG GLU 15 5.102 4.453 0.156 103 HG3 GLU 15 2HG GLU 15 6.669 5.214 0.345 104 H GLY 16 H GLY 16 6.227 2.480 0.502 105 HA2 GLY 16 1HA GLY 16 8.573 3.331 1.863 106 HA3 GLY 16 2HA GLY 16 7.360 2.203 2.432 107 H MET 17 H MET 17 7.425 0.118 0.601 108 HA MET 17 HA MET 17 9.757 -1.199 1.412 109 HB2 MET 17 1HB MET 17 7.226 -1.790 0.116 110 HB3 MET 17 2HB MET 17 8.497 -2.514 -0.849 111 HG2 MET 17 1HG MET 17 8.253 -2.892 2.174 112 HG3 MET 17 2HG MET 17 7.586 -4.012 1.002 113 HE1 MET 17 3HE MET 17 8.435 -5.836 1.432 114 HE2 MET 17 1HE MET 17 9.874 -6.404 0.554 115 HE3 MET 17 2HE MET 17 9.972 -6.071 2.299 116 H ILE 18 H ILE 18 9.259 1.097 -1.035 117 HA ILE 18 HA ILE 18 11.166 -0.102 -2.871 118 HB ILE 18 HB ILE 18 9.407 2.339 -2.963 119 HG12 ILE 18 1HG1 ILE 18 9.488 -0.207 -4.609 120 HG13 ILE 18 2HG1 ILE 18 8.316 0.179 -3.366 121 HG21 ILE 18 1HG2 ILE 18 10.366 2.294 -5.448 122 HG22 ILE 18 2HG2 ILE 18 11.126 3.243 -4.147 123 HG23 ILE 18 3HG2 ILE 18 11.799 1.659 -4.604 124 HD11 ILE 18 3HD1 ILE 18 7.078 1.042 -5.076 125 HD12 ILE 18 1HD1 ILE 18 8.179 2.437 -4.970 126 HD13 ILE 18 2HD1 ILE 18 8.487 1.147 -6.158 127 H ASP 19 H ASP 19 10.900 2.342 -0.317 128 HA ASP 19 HA ASP 19 13.512 3.355 -1.014 129 HB2 ASP 19 1HB ASP 19 11.197 4.254 0.609 130 HB3 ASP 19 2HB ASP 19 12.738 4.570 1.380 131 H GLY 20 H GLY 20 14.840 3.850 1.265 132 HA2 GLY 20 1HA GLY 20 14.667 1.470 2.993 133 HA3 GLY 20 2HA GLY 20 16.178 1.870 2.201 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -14.908 -3.701 1.933 2 HA2 GLY 1 1HA GLY 1 -14.367 -1.467 0.089 3 HA3 GLY 1 2HA GLY 1 -14.953 -1.343 1.737 4 H LEU 2 H LEU 2 -13.014 -3.514 2.669 5 HA LEU 2 HA LEU 2 -10.864 -1.725 3.246 6 HB2 LEU 2 1HB LEU 2 -12.033 -3.638 4.652 7 HB3 LEU 2 2HB LEU 2 -10.797 -4.634 3.910 8 HG LEU 2 HG LEU 2 -9.098 -2.925 4.786 9 HD11 LEU 2 1HD1 LEU 2 -9.842 -1.666 6.806 10 HD12 LEU 2 2HD1 LEU 2 -10.549 -1.079 5.281 11 HD13 LEU 2 3HD1 LEU 2 -11.524 -2.075 6.389 12 HD21 LEU 2 3HD2 LEU 2 -8.859 -4.846 5.942 13 HD22 LEU 2 1HD2 LEU 2 -9.593 -3.896 7.256 14 HD23 LEU 2 2HD2 LEU 2 -10.600 -4.994 6.282 15 H PHE 3 H PHE 3 -11.246 -4.823 1.402 16 HA PHE 3 HA PHE 3 -8.619 -5.068 0.612 17 HB2 PHE 3 1HB PHE 3 -11.034 -6.377 0.269 18 HB3 PHE 3 2HB PHE 3 -10.860 -5.673 -1.327 19 HD1 PHE 3 2HD PHE 3 -8.514 -6.069 -2.467 20 HD2 PHE 3 1HD PHE 3 -10.079 -8.443 0.683 21 HE1 PHE 3 2HE PHE 3 -6.995 -7.954 -3.133 22 HE2 PHE 3 1HE PHE 3 -8.562 -10.327 0.017 23 HZ PHE 3 HZ PHE 3 -7.038 -10.060 -1.883 24 H GLY 4 H GLY 4 -11.061 -2.755 -0.389 25 HA2 GLY 4 1HA GLY 4 -9.716 -2.123 -2.892 26 HA3 GLY 4 2HA GLY 4 -11.182 -1.408 -2.252 27 H ALA 5 H ALA 5 -9.696 -1.162 0.497 28 HA ALA 5 HA ALA 5 -8.678 1.475 -0.064 29 HB1 ALA 5 1HB ALA 5 -8.337 1.261 2.555 30 HB2 ALA 5 2HB ALA 5 -9.968 1.459 1.868 31 HB3 ALA 5 3HB ALA 5 -9.400 -0.154 2.361 32 H ILE 6 H ILE 6 -7.483 -1.799 0.516 33 HA ILE 6 HA ILE 6 -5.017 -1.393 1.552 34 HB ILE 6 HB ILE 6 -5.786 -3.273 -0.683 35 HG12 ILE 6 1HG1 ILE 6 -6.070 -3.427 2.318 36 HG13 ILE 6 2HG1 ILE 6 -7.302 -3.642 1.090 37 HG21 ILE 6 1HG2 ILE 6 -3.711 -4.046 1.275 38 HG22 ILE 6 2HG2 ILE 6 -3.817 -4.342 -0.478 39 HG23 ILE 6 3HG2 ILE 6 -3.249 -2.767 0.126 40 HD11 ILE 6 3HD1 ILE 6 -5.688 -5.622 0.282 41 HD12 ILE 6 1HD1 ILE 6 -5.143 -5.545 1.975 42 HD13 ILE 6 2HD1 ILE 6 -6.855 -5.868 1.604 43 H ALA 7 H ALA 7 -6.070 -0.885 -1.861 44 HA ALA 7 HA ALA 7 -3.674 -0.421 -3.049 45 HB1 ALA 7 1HB ALA 7 -4.935 0.957 -4.630 46 HB2 ALA 7 2HB ALA 7 -5.916 -0.445 -4.139 47 HB3 ALA 7 3HB ALA 7 -6.248 1.159 -3.444 48 H GLY 8 H GLY 8 -5.605 1.814 -0.975 49 HA2 GLY 8 1HA GLY 8 -3.955 4.074 -1.334 50 HA3 GLY 8 2HA GLY 8 -5.086 3.786 -0.027 51 H PHE 9 H PHE 9 -3.760 1.179 0.752 52 HA PHE 9 HA PHE 9 -1.834 2.350 2.506 53 HB2 PHE 9 1HB PHE 9 -3.595 0.161 2.447 54 HB3 PHE 9 2HB PHE 9 -2.051 -0.625 2.184 55 HD1 PHE 9 1HD PHE 9 -3.226 2.166 4.384 56 HD2 PHE 9 2HD PHE 9 -1.220 -1.564 4.107 57 HE1 PHE 9 1HE PHE 9 -2.775 2.225 6.852 58 HE2 PHE 9 2HE PHE 9 -0.770 -1.505 6.576 59 HZ PHE 9 HZ PHE 9 -1.553 0.388 7.918 60 H ILE 10 H ILE 10 -1.802 0.671 -0.592 61 HA ILE 10 HA ILE 10 0.723 -0.471 -0.489 62 HB ILE 10 HB ILE 10 -0.805 0.683 -2.825 63 HG12 ILE 10 1HG1 ILE 10 -0.832 -2.005 -1.456 64 HG13 ILE 10 2HG1 ILE 10 -2.180 -0.949 -1.829 65 HG21 ILE 10 1HG2 ILE 10 1.561 0.417 -3.367 66 HG22 ILE 10 2HG2 ILE 10 1.513 -1.269 -2.801 67 HG23 ILE 10 3HG2 ILE 10 0.565 -0.781 -4.225 68 HD11 ILE 10 3HD1 ILE 10 -0.502 -2.567 -3.789 69 HD12 ILE 10 1HD1 ILE 10 -2.243 -2.725 -3.451 70 HD13 ILE 10 2HD1 ILE 10 -1.629 -1.294 -4.311 71 H GLU 11 H GLU 11 -0.321 2.890 -0.757 72 HA GLU 11 HA GLU 11 1.963 3.916 -1.925 73 HB2 GLU 11 1HB GLU 11 -0.114 5.095 -0.047 74 HB3 GLU 11 2HB GLU 11 1.215 6.063 -0.655 75 HG2 GLU 11 1HG GLU 11 -0.380 4.460 -2.652 76 HG3 GLU 11 2HG GLU 11 -1.131 5.887 -1.968 77 H ASN 12 H ASN 12 1.408 2.555 1.233 78 HA ASN 12 HA ASN 12 3.884 3.778 2.160 79 HB2 ASN 12 1HB ASN 12 1.748 2.362 3.835 80 HB3 ASN 12 2HB ASN 12 3.107 3.283 4.449 81 HD21 ASN 12 1HD2 ASN 12 1.583 4.539 5.606 82 HD22 ASN 12 2HD2 ASN 12 0.707 5.829 4.853 83 H ALA 13 H ALA 13 1.984 0.783 1.626 84 HA ALA 13 HA ALA 13 3.930 -0.941 2.812 85 HB1 ALA 13 1HB ALA 13 1.370 -1.271 2.519 86 HB2 ALA 13 2HB ALA 13 1.769 -1.747 0.850 87 HB3 ALA 13 3HB ALA 13 2.434 -2.667 2.221 88 H TRP 14 H TRP 14 3.681 0.820 -0.138 89 HA TRP 14 HA TRP 14 5.405 -1.095 -1.529 90 HB2 TRP 14 1HB TRP 14 3.306 -0.235 -2.613 91 HB3 TRP 14 2HB TRP 14 4.037 1.358 -2.637 92 HD1 TRP 14 HD TRP 14 6.429 -1.507 -3.389 93 HE1 TRP 14 1HE TRP 14 7.121 -1.572 -5.935 94 HE3 TRP 14 3HE TRP 14 3.012 1.922 -4.948 95 HZ2 TRP 14 2HZ TRP 14 6.182 -0.213 -8.262 96 HZ3 TRP 14 3HZ TRP 14 2.966 2.496 -7.373 97 HH2 TRP 14 HH TRP 14 4.479 1.490 -9.009 98 H GLU 15 H GLU 15 5.133 2.524 -1.545 99 HA GLU 15 HA GLU 15 7.628 3.142 -2.111 100 HB2 GLU 15 1HB GLU 15 5.587 4.649 -1.487 101 HB3 GLU 15 2HB GLU 15 6.230 4.617 0.144 102 HG2 GLU 15 1HG GLU 15 7.767 5.531 -2.334 103 HG3 GLU 15 2HG GLU 15 7.046 6.596 -1.144 104 H GLY 16 H GLY 16 6.454 1.980 1.068 105 HA2 GLY 16 1HA GLY 16 8.880 2.490 2.476 106 HA3 GLY 16 2HA GLY 16 7.539 1.484 2.985 107 H MET 17 H MET 17 7.363 -0.467 1.000 108 HA MET 17 HA MET 17 9.490 -2.123 1.739 109 HB2 MET 17 1HB MET 17 7.174 -2.264 -0.233 110 HB3 MET 17 2HB MET 17 8.380 -3.537 -0.246 111 HG2 MET 17 1HG MET 17 7.002 -2.688 2.335 112 HG3 MET 17 2HG MET 17 6.282 -3.875 1.266 113 HE1 MET 17 3HE MET 17 9.212 -6.264 0.727 114 HE2 MET 17 1HE MET 17 7.598 -6.759 1.294 115 HE3 MET 17 2HE MET 17 7.757 -5.470 0.077 116 H ILE 18 H ILE 18 9.350 0.391 -0.535 117 HA ILE 18 HA ILE 18 11.246 -0.913 -2.337 118 HB ILE 18 HB ILE 18 9.774 1.713 -2.588 119 HG12 ILE 18 1HG1 ILE 18 8.476 -0.559 -2.628 120 HG13 ILE 18 2HG1 ILE 18 8.140 0.676 -3.825 121 HG21 ILE 18 1HG2 ILE 18 10.501 1.140 -5.092 122 HG22 ILE 18 2HG2 ILE 18 11.525 2.087 -3.986 123 HG23 ILE 18 3HG2 ILE 18 11.849 0.355 -4.235 124 HD11 ILE 18 3HD1 ILE 18 9.087 -0.530 -5.553 125 HD12 ILE 18 1HD1 ILE 18 10.327 -1.258 -4.505 126 HD13 ILE 18 2HD1 ILE 18 8.665 -1.895 -4.493 127 H ASP 19 H ASP 19 10.888 1.601 0.150 128 HA ASP 19 HA ASP 19 12.407 2.608 1.348 129 HB2 ASP 19 1HB ASP 19 13.825 0.459 0.777 130 HB3 ASP 19 2HB ASP 19 14.672 1.501 -0.349 131 H GLY 20 H GLY 20 12.059 4.769 0.708 132 HA2 GLY 20 1HA GLY 20 13.818 5.812 -1.397 133 HA3 GLY 20 2HA GLY 20 12.089 6.054 -1.561 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -14.705 -3.939 2.684 2 HA2 GLY 1 1HA GLY 1 -14.281 -1.899 0.609 3 HA3 GLY 1 2HA GLY 1 -14.807 -1.631 2.260 4 H LEU 2 H LEU 2 -12.737 -3.615 3.319 5 HA LEU 2 HA LEU 2 -10.651 -1.692 3.624 6 HB2 LEU 2 1HB LEU 2 -11.671 -3.503 5.258 7 HB3 LEU 2 2HB LEU 2 -10.423 -4.516 4.560 8 HG LEU 2 HG LEU 2 -8.784 -2.626 5.185 9 HD11 LEU 2 1HD1 LEU 2 -9.825 -0.751 5.854 10 HD12 LEU 2 2HD1 LEU 2 -11.299 -1.615 6.353 11 HD13 LEU 2 3HD1 LEU 2 -9.884 -1.573 7.432 12 HD21 LEU 2 3HD2 LEU 2 -8.970 -4.858 6.286 13 HD22 LEU 2 1HD2 LEU 2 -8.417 -3.555 7.364 14 HD23 LEU 2 2HD2 LEU 2 -10.097 -4.135 7.459 15 H PHE 3 H PHE 3 -10.957 -4.970 2.109 16 HA PHE 3 HA PHE 3 -8.357 -5.178 1.230 17 HB2 PHE 3 1HB PHE 3 -10.717 -6.618 1.122 18 HB3 PHE 3 2HB PHE 3 -10.642 -6.067 -0.540 19 HD1 PHE 3 2HD PHE 3 -8.454 -7.681 2.021 20 HD2 PHE 3 1HD PHE 3 -9.524 -7.379 -2.074 21 HE1 PHE 3 2HE PHE 3 -6.876 -9.555 1.470 22 HE2 PHE 3 1HE PHE 3 -7.947 -9.252 -2.624 23 HZ PHE 3 HZ PHE 3 -6.642 -10.318 -0.846 24 H GLY 4 H GLY 4 -10.945 -3.085 0.116 25 HA2 GLY 4 1HA GLY 4 -9.726 -2.644 -2.491 26 HA3 GLY 4 2HA GLY 4 -11.200 -1.934 -1.861 27 H ALA 5 H ALA 5 -9.619 -1.356 0.784 28 HA ALA 5 HA ALA 5 -8.753 1.257 -0.072 29 HB1 ALA 5 1HB ALA 5 -8.224 0.894 2.671 30 HB2 ALA 5 2HB ALA 5 -9.644 1.687 1.948 31 HB3 ALA 5 3HB ALA 5 -9.701 -0.045 2.353 32 H ILE 6 H ILE 6 -7.381 -1.888 0.771 33 HA ILE 6 HA ILE 6 -4.900 -1.275 1.657 34 HB ILE 6 HB ILE 6 -5.663 -3.398 -0.351 35 HG12 ILE 6 1HG1 ILE 6 -5.826 -3.268 2.660 36 HG13 ILE 6 2HG1 ILE 6 -7.091 -3.657 1.512 37 HG21 ILE 6 1HG2 ILE 6 -3.192 -2.913 -0.100 38 HG22 ILE 6 2HG2 ILE 6 -3.346 -3.450 1.590 39 HG23 ILE 6 3HG2 ILE 6 -3.705 -4.579 0.261 40 HD11 ILE 6 3HD1 ILE 6 -4.651 -5.350 2.200 41 HD12 ILE 6 1HD1 ILE 6 -6.361 -5.740 2.499 42 HD13 ILE 6 2HD1 ILE 6 -5.734 -5.711 0.834 43 H ALA 7 H ALA 7 -6.106 -1.152 -1.740 44 HA ALA 7 HA ALA 7 -3.781 -0.702 -3.068 45 HB1 ALA 7 1HB ALA 7 -5.305 0.790 -4.553 46 HB2 ALA 7 2HB ALA 7 -5.764 -0.915 -4.326 47 HB3 ALA 7 3HB ALA 7 -6.596 0.361 -3.404 48 H GLY 8 H GLY 8 -5.739 1.640 -1.144 49 HA2 GLY 8 1HA GLY 8 -4.215 3.925 -1.789 50 HA3 GLY 8 2HA GLY 8 -5.281 3.717 -0.413 51 H PHE 9 H PHE 9 -3.801 1.261 0.556 52 HA PHE 9 HA PHE 9 -1.869 2.684 2.106 53 HB2 PHE 9 1HB PHE 9 -3.538 0.523 2.457 54 HB3 PHE 9 2HB PHE 9 -2.082 -0.337 1.994 55 HD1 PHE 9 2HD PHE 9 -3.021 2.466 4.288 56 HD2 PHE 9 1HD PHE 9 -0.755 -1.076 3.716 57 HE1 PHE 9 2HE PHE 9 -2.176 2.627 6.646 58 HE2 PHE 9 1HE PHE 9 0.090 -0.915 6.075 59 HZ PHE 9 HZ PHE 9 -0.630 0.934 7.510 60 H ILE 10 H ILE 10 -1.872 0.711 -0.813 61 HA ILE 10 HA ILE 10 0.707 -0.301 -0.707 62 HB ILE 10 HB ILE 10 -0.963 0.546 -3.076 63 HG12 ILE 10 1HG1 ILE 10 -0.806 -1.991 -1.453 64 HG13 ILE 10 2HG1 ILE 10 -2.217 -1.040 -1.869 65 HG21 ILE 10 1HG2 ILE 10 1.391 0.335 -3.692 66 HG22 ILE 10 2HG2 ILE 10 1.449 -1.287 -2.961 67 HG23 ILE 10 3HG2 ILE 10 0.424 -0.987 -4.385 68 HD11 ILE 10 3HD1 ILE 10 -2.278 -2.945 -3.320 69 HD12 ILE 10 1HD1 ILE 10 -1.709 -1.600 -4.337 70 HD13 ILE 10 2HD1 ILE 10 -0.548 -2.795 -3.711 71 H GLU 11 H GLU 11 -0.509 2.966 -1.255 72 HA GLU 11 HA GLU 11 1.677 3.973 -2.614 73 HB2 GLU 11 1HB GLU 11 0.756 6.109 -2.171 74 HB3 GLU 11 2HB GLU 11 -0.635 5.043 -2.162 75 HG2 GLU 11 1HG GLU 11 -1.120 5.858 -0.099 76 HG3 GLU 11 2HG GLU 11 0.253 4.948 0.498 77 H ASN 12 H ASN 12 1.309 2.907 0.683 78 HA ASN 12 HA ASN 12 3.755 4.327 1.380 79 HB2 ASN 12 1HB ASN 12 1.292 3.580 2.890 80 HB3 ASN 12 2HB ASN 12 2.777 3.243 3.757 81 HD21 ASN 12 1HD2 ASN 12 4.490 5.123 3.246 82 HD22 ASN 12 2HD2 ASN 12 3.923 6.714 3.632 83 H ALA 13 H ALA 13 1.985 1.212 1.223 84 HA ALA 13 HA ALA 13 4.056 -0.298 2.485 85 HB1 ALA 13 1HB ALA 13 1.852 -1.375 0.707 86 HB2 ALA 13 2HB ALA 13 2.629 -2.145 2.111 87 HB3 ALA 13 3HB ALA 13 1.514 -0.778 2.349 88 H TRP 14 H TRP 14 3.610 1.150 -0.608 89 HA TRP 14 HA TRP 14 5.372 -0.815 -1.879 90 HB2 TRP 14 1HB TRP 14 3.193 -0.160 -2.951 91 HB3 TRP 14 2HB TRP 14 3.844 1.453 -3.162 92 HD1 TRP 14 HD TRP 14 6.344 -1.361 -3.732 93 HE1 TRP 14 1HE TRP 14 6.941 -1.648 -6.287 94 HE3 TRP 14 3HE TRP 14 2.707 1.739 -5.470 95 HZ2 TRP 14 2HZ TRP 14 5.850 -0.569 -8.693 96 HZ3 TRP 14 3HZ TRP 14 2.542 2.068 -7.936 97 HH2 TRP 14 HH TRP 14 4.038 0.972 -9.528 98 H GLU 15 H GLU 15 4.922 2.769 -2.235 99 HA GLU 15 HA GLU 15 7.362 3.440 -2.964 100 HB2 GLU 15 1HB GLU 15 5.245 4.888 -2.345 101 HB3 GLU 15 2HB GLU 15 6.041 5.095 -0.798 102 HG2 GLU 15 1HG GLU 15 7.855 6.278 -1.724 103 HG3 GLU 15 2HG GLU 15 7.649 5.564 -3.312 104 H GLY 16 H GLY 16 6.363 2.576 0.372 105 HA2 GLY 16 1HA GLY 16 8.778 3.340 1.645 106 HA3 GLY 16 2HA GLY 16 7.543 2.261 2.265 107 H MET 17 H MET 17 7.495 0.172 0.406 108 HA MET 17 HA MET 17 9.757 -1.254 1.209 109 HB2 MET 17 1HB MET 17 7.413 -1.687 -0.670 110 HB3 MET 17 2HB MET 17 8.739 -2.831 -0.739 111 HG2 MET 17 1HG MET 17 8.481 -2.957 1.878 112 HG3 MET 17 2HG MET 17 6.919 -2.209 1.614 113 HE1 MET 17 3HE MET 17 4.953 -5.214 1.581 114 HE2 MET 17 1HE MET 17 5.375 -3.612 2.229 115 HE3 MET 17 2HE MET 17 4.716 -3.760 0.582 116 H ILE 18 H ILE 18 9.403 1.102 -1.204 117 HA ILE 18 HA ILE 18 11.330 -0.152 -2.994 118 HB ILE 18 HB ILE 18 9.731 2.401 -3.216 119 HG12 ILE 18 1HG1 ILE 18 8.601 0.044 -3.323 120 HG13 ILE 18 2HG1 ILE 18 8.191 1.278 -4.498 121 HG21 ILE 18 1HG2 ILE 18 11.547 2.889 -4.535 122 HG22 ILE 18 2HG2 ILE 18 11.851 1.185 -4.948 123 HG23 ILE 18 3HG2 ILE 18 10.494 2.055 -5.702 124 HD11 ILE 18 3HD1 ILE 18 8.969 -1.262 -5.164 125 HD12 ILE 18 1HD1 ILE 18 9.168 0.144 -6.237 126 HD13 ILE 18 2HD1 ILE 18 10.531 -0.413 -5.237 127 H ASP 19 H ASP 19 11.003 2.302 -0.466 128 HA ASP 19 HA ASP 19 13.829 2.483 -0.351 129 HB2 ASP 19 1HB ASP 19 12.156 4.909 -1.141 130 HB3 ASP 19 2HB ASP 19 13.769 5.053 -0.473 131 H GLY 20 H GLY 20 13.681 1.899 1.866 132 HA2 GLY 20 1HA GLY 20 13.320 3.701 3.846 133 HA3 GLY 20 2HA GLY 20 11.694 3.101 3.584 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.010 -3.905 0.611 2 HA2 GLY 1 1HA GLY 1 -14.331 -1.461 0.019 3 HA3 GLY 1 2HA GLY 1 -14.929 -1.301 1.659 4 H LEU 2 H LEU 2 -13.006 -3.461 2.650 5 HA LEU 2 HA LEU 2 -10.856 -1.669 3.213 6 HB2 LEU 2 1HB LEU 2 -12.039 -3.557 4.640 7 HB3 LEU 2 2HB LEU 2 -10.801 -4.568 3.921 8 HG LEU 2 HG LEU 2 -9.376 -2.354 4.826 9 HD11 LEU 2 1HD1 LEU 2 -10.036 -2.005 7.133 10 HD12 LEU 2 2HD1 LEU 2 -11.372 -1.572 6.041 11 HD13 LEU 2 3HD1 LEU 2 -11.417 -3.110 6.935 12 HD21 LEU 2 3HD2 LEU 2 -8.563 -3.931 6.584 13 HD22 LEU 2 1HD2 LEU 2 -9.832 -5.073 6.080 14 HD23 LEU 2 2HD2 LEU 2 -8.553 -4.602 4.935 15 H PHE 3 H PHE 3 -11.226 -4.797 1.417 16 HA PHE 3 HA PHE 3 -8.594 -5.057 0.651 17 HB2 PHE 3 1HB PHE 3 -11.006 -6.369 0.309 18 HB3 PHE 3 2HB PHE 3 -10.821 -5.689 -1.295 19 HD1 PHE 3 1HD PHE 3 -9.017 -6.428 -2.761 20 HD2 PHE 3 2HD PHE 3 -9.507 -8.103 1.107 21 HE1 PHE 3 1HE PHE 3 -7.497 -8.324 -3.389 22 HE2 PHE 3 2HE PHE 3 -7.986 -9.999 0.479 23 HZ PHE 3 HZ PHE 3 -6.999 -10.086 -1.762 24 H GLY 4 H GLY 4 -11.028 -2.759 -0.409 25 HA2 GLY 4 1HA GLY 4 -9.658 -2.166 -2.907 26 HA3 GLY 4 2HA GLY 4 -11.131 -1.443 -2.295 27 H ALA 5 H ALA 5 -9.663 -1.158 0.464 28 HA ALA 5 HA ALA 5 -8.644 1.474 -0.128 29 HB1 ALA 5 1HB ALA 5 -8.667 1.752 2.276 30 HB2 ALA 5 2HB ALA 5 -10.172 0.925 1.802 31 HB3 ALA 5 3HB ALA 5 -8.837 -0.003 2.525 32 H ILE 6 H ILE 6 -7.455 -1.789 0.515 33 HA ILE 6 HA ILE 6 -5.001 -1.367 1.572 34 HB ILE 6 HB ILE 6 -5.746 -3.282 -0.643 35 HG12 ILE 6 1HG1 ILE 6 -6.062 -3.390 2.357 36 HG13 ILE 6 2HG1 ILE 6 -7.281 -3.625 1.120 37 HG21 ILE 6 1HG2 ILE 6 -3.249 -2.860 -0.104 38 HG22 ILE 6 2HG2 ILE 6 -3.590 -3.740 1.405 39 HG23 ILE 6 3HG2 ILE 6 -3.850 -4.534 -0.167 40 HD11 ILE 6 3HD1 ILE 6 -6.748 -5.824 1.880 41 HD12 ILE 6 1HD1 ILE 6 -5.880 -5.659 0.336 42 HD13 ILE 6 2HD1 ILE 6 -4.999 -5.489 1.873 43 H ALA 7 H ALA 7 -6.019 -0.910 -1.858 44 HA ALA 7 HA ALA 7 -3.611 -0.464 -3.030 45 HB1 ALA 7 1HB ALA 7 -5.090 1.340 -4.338 46 HB2 ALA 7 2HB ALA 7 -5.384 -0.408 -4.504 47 HB3 ALA 7 3HB ALA 7 -6.401 0.567 -3.415 48 H GLY 8 H GLY 8 -5.560 1.802 -1.009 49 HA2 GLY 8 1HA GLY 8 -3.904 4.055 -1.384 50 HA3 GLY 8 2HA GLY 8 -5.049 3.788 -0.084 51 H PHE 9 H PHE 9 -3.733 1.191 0.745 52 HA PHE 9 HA PHE 9 -1.824 2.385 2.502 53 HB2 PHE 9 1HB PHE 9 -3.592 0.214 2.481 54 HB3 PHE 9 2HB PHE 9 -2.064 -0.596 2.202 55 HD1 PHE 9 2HD PHE 9 -0.163 0.798 3.850 56 HD2 PHE 9 1HD PHE 9 -4.225 -0.114 4.671 57 HE1 PHE 9 2HE PHE 9 0.320 0.862 6.312 58 HE2 PHE 9 1HE PHE 9 -3.742 -0.050 7.134 59 HZ PHE 9 HZ PHE 9 -1.475 0.437 7.924 60 H ILE 10 H ILE 10 -1.762 0.661 -0.570 61 HA ILE 10 HA ILE 10 0.761 -0.482 -0.425 62 HB ILE 10 HB ILE 10 -0.743 0.640 -2.792 63 HG12 ILE 10 1HG1 ILE 10 -0.786 -2.027 -1.385 64 HG13 ILE 10 2HG1 ILE 10 -2.130 -0.976 -1.787 65 HG21 ILE 10 1HG2 ILE 10 0.639 -0.858 -4.153 66 HG22 ILE 10 2HG2 ILE 10 1.624 0.368 -3.317 67 HG23 ILE 10 3HG2 ILE 10 1.580 -1.305 -2.710 68 HD11 ILE 10 3HD1 ILE 10 -2.179 -2.774 -3.385 69 HD12 ILE 10 1HD1 ILE 10 -1.550 -1.357 -4.260 70 HD13 ILE 10 2HD1 ILE 10 -0.434 -2.627 -3.704 71 H GLU 11 H GLU 11 -0.277 2.877 -0.751 72 HA GLU 11 HA GLU 11 2.020 3.884 -1.911 73 HB2 GLU 11 1HB GLU 11 0.056 5.178 0.030 74 HB3 GLU 11 2HB GLU 11 1.272 6.065 -0.866 75 HG2 GLU 11 1HG GLU 11 0.154 4.736 -2.945 76 HG3 GLU 11 2HG GLU 11 -1.228 4.724 -1.868 77 H ASN 12 H ASN 12 1.431 2.568 1.260 78 HA ASN 12 HA ASN 12 3.899 3.802 2.194 79 HB2 ASN 12 1HB ASN 12 1.489 2.652 3.679 80 HB3 ASN 12 2HB ASN 12 3.007 2.955 4.501 81 HD21 ASN 12 1HD2 ASN 12 0.292 4.155 4.709 82 HD22 ASN 12 2HD2 ASN 12 0.502 5.868 4.558 83 H ALA 13 H ALA 13 2.001 0.802 1.686 84 HA ALA 13 HA ALA 13 3.931 -0.908 2.916 85 HB1 ALA 13 1HB ALA 13 1.319 -1.159 2.455 86 HB2 ALA 13 2HB ALA 13 1.897 -1.879 0.932 87 HB3 ALA 13 3HB ALA 13 2.391 -2.579 2.492 88 H TRP 14 H TRP 14 3.715 0.811 -0.062 89 HA TRP 14 HA TRP 14 5.451 -1.126 -1.407 90 HB2 TRP 14 1HB TRP 14 3.366 -0.279 -2.525 91 HB3 TRP 14 2HB TRP 14 4.099 1.312 -2.565 92 HD1 TRP 14 HD TRP 14 6.495 -1.565 -3.249 93 HE1 TRP 14 1HE TRP 14 7.213 -1.668 -5.787 94 HE3 TRP 14 3HE TRP 14 3.099 1.844 -4.894 95 HZ2 TRP 14 2HZ TRP 14 6.301 -0.343 -8.144 96 HZ3 TRP 14 3HZ TRP 14 3.079 2.382 -7.328 97 HH2 TRP 14 HH TRP 14 4.606 1.350 -8.933 98 H GLU 15 H GLU 15 5.183 2.493 -1.478 99 HA GLU 15 HA GLU 15 7.686 3.101 -2.027 100 HB2 GLU 15 1HB GLU 15 5.850 4.470 -0.019 101 HB3 GLU 15 2HB GLU 15 7.345 5.192 -0.581 102 HG2 GLU 15 1HG GLU 15 5.421 4.165 -2.663 103 HG3 GLU 15 2HG GLU 15 4.993 5.640 -1.820 104 H GLY 16 H GLY 16 6.491 1.901 1.116 105 HA2 GLY 16 1HA GLY 16 8.859 2.475 2.592 106 HA3 GLY 16 2HA GLY 16 7.548 1.404 3.047 107 H MET 17 H MET 17 7.498 -0.524 1.047 108 HA MET 17 HA MET 17 9.691 -2.088 1.797 109 HB2 MET 17 1HB MET 17 7.275 -2.300 0.029 110 HB3 MET 17 2HB MET 17 8.591 -3.371 -0.406 111 HG2 MET 17 1HG MET 17 8.552 -3.764 2.310 112 HG3 MET 17 2HG MET 17 6.863 -3.382 2.041 113 HE1 MET 17 3HE MET 17 5.255 -4.598 0.802 114 HE2 MET 17 1HE MET 17 5.355 -6.356 0.543 115 HE3 MET 17 2HE MET 17 5.508 -5.688 2.187 116 H ILE 18 H ILE 18 9.458 0.437 -0.455 117 HA ILE 18 HA ILE 18 11.430 -0.761 -2.247 118 HB ILE 18 HB ILE 18 9.838 1.794 -2.494 119 HG12 ILE 18 1HG1 ILE 18 8.649 -0.535 -2.566 120 HG13 ILE 18 2HG1 ILE 18 8.271 0.692 -3.758 121 HG21 ILE 18 1HG2 ILE 18 11.993 0.551 -4.130 122 HG22 ILE 18 2HG2 ILE 18 10.619 1.279 -4.994 123 HG23 ILE 18 3HG2 ILE 18 11.584 2.263 -3.869 124 HD11 ILE 18 3HD1 ILE 18 10.560 -1.105 -4.446 125 HD12 ILE 18 1HD1 ILE 18 8.948 -1.860 -4.415 126 HD13 ILE 18 2HD1 ILE 18 9.260 -0.471 -5.483 127 H ASP 19 H ASP 19 10.961 1.615 0.327 128 HA ASP 19 HA ASP 19 12.408 2.710 1.525 129 HB2 ASP 19 1HB ASP 19 13.924 0.654 1.029 130 HB3 ASP 19 2HB ASP 19 14.695 1.652 -0.188 131 H GLY 20 H GLY 20 11.159 4.185 -0.351 132 HA2 GLY 20 1HA GLY 20 13.286 5.797 -1.632 133 HA3 GLY 20 2HA GLY 20 11.748 5.452 -2.400 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.541 -3.901 0.125 2 HA2 GLY 1 1HA GLY 1 -14.442 -1.602 -0.093 3 HA3 GLY 1 2HA GLY 1 -15.065 -1.397 1.532 4 H LEU 2 H LEU 2 -13.127 -3.498 2.619 5 HA LEU 2 HA LEU 2 -11.007 -1.658 3.148 6 HB2 LEU 2 1HB LEU 2 -12.188 -3.508 4.625 7 HB3 LEU 2 2HB LEU 2 -10.926 -4.529 3.962 8 HG LEU 2 HG LEU 2 -9.223 -2.913 4.819 9 HD11 LEU 2 1HD1 LEU 2 -9.841 -0.875 5.436 10 HD12 LEU 2 2HD1 LEU 2 -11.562 -1.311 5.306 11 HD13 LEU 2 3HD1 LEU 2 -10.688 -1.587 6.832 12 HD21 LEU 2 3HD2 LEU 2 -11.079 -4.076 6.915 13 HD22 LEU 2 1HD2 LEU 2 -9.798 -4.956 6.046 14 HD23 LEU 2 2HD2 LEU 2 -9.374 -3.623 7.148 15 H PHE 3 H PHE 3 -11.318 -4.851 1.458 16 HA PHE 3 HA PHE 3 -8.673 -5.109 0.739 17 HB2 PHE 3 1HB PHE 3 -11.066 -6.459 0.412 18 HB3 PHE 3 2HB PHE 3 -10.866 -5.833 -1.214 19 HD1 PHE 3 2HD PHE 3 -8.970 -6.560 -2.601 20 HD2 PHE 3 1HD PHE 3 -9.623 -8.191 1.262 21 HE1 PHE 3 2HE PHE 3 -7.420 -8.458 -3.141 22 HE2 PHE 3 1HE PHE 3 -8.073 -10.091 0.721 23 HZ PHE 3 HZ PHE 3 -6.991 -10.202 -1.474 24 H GLY 4 H GLY 4 -11.116 -2.877 -0.435 25 HA2 GLY 4 1HA GLY 4 -9.717 -2.359 -2.934 26 HA3 GLY 4 2HA GLY 4 -11.206 -1.629 -2.367 27 H ALA 5 H ALA 5 -9.781 -1.231 0.400 28 HA ALA 5 HA ALA 5 -8.780 1.388 -0.272 29 HB1 ALA 5 1HB ALA 5 -9.838 1.725 1.691 30 HB2 ALA 5 2HB ALA 5 -9.880 -0.019 2.048 31 HB3 ALA 5 3HB ALA 5 -8.442 0.941 2.468 32 H ILE 6 H ILE 6 -7.566 -1.837 0.504 33 HA ILE 6 HA ILE 6 -5.131 -1.351 1.577 34 HB ILE 6 HB ILE 6 -5.825 -3.351 -0.578 35 HG12 ILE 6 1HG1 ILE 6 -6.181 -3.355 2.419 36 HG13 ILE 6 2HG1 ILE 6 -7.380 -3.648 1.175 37 HG21 ILE 6 1HG2 ILE 6 -3.929 -4.577 -0.010 38 HG22 ILE 6 2HG2 ILE 6 -3.343 -2.896 -0.045 39 HG23 ILE 6 3HG2 ILE 6 -3.685 -3.688 1.512 40 HD11 ILE 6 3HD1 ILE 6 -6.280 -5.758 0.539 41 HD12 ILE 6 1HD1 ILE 6 -4.971 -5.447 1.705 42 HD13 ILE 6 2HD1 ILE 6 -6.624 -5.759 2.285 43 H ALA 7 H ALA 7 -6.106 -1.029 -1.882 44 HA ALA 7 HA ALA 7 -3.687 -0.599 -3.035 45 HB1 ALA 7 1HB ALA 7 -5.788 -0.715 -4.270 46 HB2 ALA 7 2HB ALA 7 -6.341 0.809 -3.534 47 HB3 ALA 7 3HB ALA 7 -4.961 0.813 -4.658 48 H GLY 8 H GLY 8 -5.691 1.718 -1.127 49 HA2 GLY 8 1HA GLY 8 -4.055 3.975 -1.560 50 HA3 GLY 8 2HA GLY 8 -5.215 3.741 -0.268 51 H PHE 9 H PHE 9 -3.882 1.192 0.673 52 HA PHE 9 HA PHE 9 -2.012 2.472 2.411 53 HB2 PHE 9 1HB PHE 9 -3.698 0.588 2.939 54 HB3 PHE 9 2HB PHE 9 -2.729 -0.485 1.948 55 HD1 PHE 9 1HD PHE 9 -1.759 2.049 4.516 56 HD2 PHE 9 2HD PHE 9 -1.722 -2.028 3.336 57 HE1 PHE 9 1HE PHE 9 -0.342 1.485 6.509 58 HE2 PHE 9 2HE PHE 9 -0.306 -2.592 5.330 59 HZ PHE 9 HZ PHE 9 0.367 -0.829 6.893 60 H ILE 10 H ILE 10 -1.886 0.638 -0.595 61 HA ILE 10 HA ILE 10 0.648 -0.468 -0.372 62 HB ILE 10 HB ILE 10 -0.835 0.548 -2.799 63 HG12 ILE 10 1HG1 ILE 10 -0.868 -2.066 -1.296 64 HG13 ILE 10 2HG1 ILE 10 -2.217 -1.047 -1.755 65 HG21 ILE 10 1HG2 ILE 10 1.517 -1.354 -2.607 66 HG22 ILE 10 2HG2 ILE 10 0.584 -0.996 -4.080 67 HG23 ILE 10 3HG2 ILE 10 1.534 0.289 -3.294 68 HD11 ILE 10 3HD1 ILE 10 -2.199 -2.928 -3.274 69 HD12 ILE 10 1HD1 ILE 10 -1.634 -1.514 -4.197 70 HD13 ILE 10 2HD1 ILE 10 -0.463 -2.717 -3.606 71 H GLU 11 H GLU 11 -0.425 2.864 -0.837 72 HA GLU 11 HA GLU 11 1.877 3.855 -2.001 73 HB2 GLU 11 1HB GLU 11 0.990 5.992 -1.534 74 HB3 GLU 11 2HB GLU 11 -0.434 4.976 -1.630 75 HG2 GLU 11 1HG GLU 11 -0.332 4.711 0.902 76 HG3 GLU 11 2HG GLU 11 0.976 5.878 0.925 77 H ASN 12 H ASN 12 1.258 2.649 1.209 78 HA ASN 12 HA ASN 12 3.698 3.948 2.131 79 HB2 ASN 12 1HB ASN 12 1.146 3.100 3.482 80 HB3 ASN 12 2HB ASN 12 2.614 2.883 4.414 81 HD21 ASN 12 1HD2 ASN 12 0.459 4.666 4.960 82 HD22 ASN 12 2HD2 ASN 12 1.065 6.289 4.947 83 H ALA 13 H ALA 13 1.843 0.907 1.707 84 HA ALA 13 HA ALA 13 3.775 -0.732 3.025 85 HB1 ALA 13 1HB ALA 13 1.928 -2.011 3.054 86 HB2 ALA 13 2HB ALA 13 1.123 -0.961 1.863 87 HB3 ALA 13 3HB ALA 13 2.164 -2.296 1.313 88 H TRP 14 H TRP 14 3.582 0.874 -0.016 89 HA TRP 14 HA TRP 14 5.360 -1.090 -1.264 90 HB2 TRP 14 1HB TRP 14 3.280 -0.309 -2.443 91 HB3 TRP 14 2HB TRP 14 3.995 1.288 -2.530 92 HD1 TRP 14 HD TRP 14 6.434 -1.582 -3.076 93 HE1 TRP 14 1HE TRP 14 7.190 -1.770 -5.597 94 HE3 TRP 14 3HE TRP 14 3.022 1.721 -4.891 95 HZ2 TRP 14 2HZ TRP 14 6.296 -0.543 -8.014 96 HZ3 TRP 14 3HZ TRP 14 3.031 2.170 -7.343 97 HH2 TRP 14 HH TRP 14 4.594 1.100 -8.888 98 H GLU 15 H GLU 15 5.050 2.521 -1.473 99 HA GLU 15 HA GLU 15 7.553 3.139 -2.008 100 HB2 GLU 15 1HB GLU 15 5.643 4.742 -1.685 101 HB3 GLU 15 2HB GLU 15 5.861 4.623 0.050 102 HG2 GLU 15 1HG GLU 15 8.104 5.576 -0.084 103 HG3 GLU 15 2HG GLU 15 8.104 5.477 -1.834 104 H GLY 16 H GLY 16 6.295 2.279 1.256 105 HA2 GLY 16 1HA GLY 16 8.667 2.848 2.681 106 HA3 GLY 16 2HA GLY 16 7.341 1.823 3.195 107 H MET 17 H MET 17 7.312 -0.195 1.233 108 HA MET 17 HA MET 17 9.427 -1.775 2.147 109 HB2 MET 17 1HB MET 17 7.348 -2.850 1.542 110 HB3 MET 17 2HB MET 17 7.286 -2.041 -0.011 111 HG2 MET 17 1HG MET 17 9.072 -3.400 -0.909 112 HG3 MET 17 2HG MET 17 9.525 -3.991 0.678 113 HE1 MET 17 3HE MET 17 7.106 -6.207 -2.161 114 HE2 MET 17 1HE MET 17 7.136 -4.442 -2.386 115 HE3 MET 17 2HE MET 17 8.662 -5.342 -2.205 116 H ILE 18 H ILE 18 9.373 0.675 -0.197 117 HA ILE 18 HA ILE 18 11.357 -0.626 -1.890 118 HB ILE 18 HB ILE 18 9.899 2.007 -2.140 119 HG12 ILE 18 1HG1 ILE 18 8.685 -0.297 -2.417 120 HG13 ILE 18 2HG1 ILE 18 8.409 0.998 -3.565 121 HG21 ILE 18 1HG2 ILE 18 11.843 2.443 -3.292 122 HG22 ILE 18 2HG2 ILE 18 12.078 0.743 -3.766 123 HG23 ILE 18 3HG2 ILE 18 10.830 1.727 -4.568 124 HD11 ILE 18 3HD1 ILE 18 9.789 0.003 -5.224 125 HD12 ILE 18 1HD1 ILE 18 10.608 -1.042 -4.039 126 HD13 ILE 18 2HD1 ILE 18 8.923 -1.376 -4.505 127 H ASP 19 H ASP 19 10.916 2.060 0.454 128 HA ASP 19 HA ASP 19 12.344 3.471 1.327 129 HB2 ASP 19 1HB ASP 19 13.558 0.745 1.574 130 HB3 ASP 19 2HB ASP 19 14.628 2.079 1.949 131 H GLY 20 H GLY 20 12.829 4.815 -0.561 132 HA2 GLY 20 1HA GLY 20 15.497 5.130 -1.228 133 HA3 GLY 20 2HA GLY 20 14.806 4.109 -2.474 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -13.814 -4.398 1.460 2 HA2 GLY 1 1HA GLY 1 -14.369 -2.129 0.217 3 HA3 GLY 1 2HA GLY 1 -14.987 -1.750 1.812 4 H LEU 2 H LEU 2 -12.931 -3.590 3.128 5 HA LEU 2 HA LEU 2 -10.908 -1.593 3.386 6 HB2 LEU 2 1HB LEU 2 -11.974 -3.300 5.103 7 HB3 LEU 2 2HB LEU 2 -10.667 -4.329 4.553 8 HG LEU 2 HG LEU 2 -9.312 -2.009 5.070 9 HD11 LEU 2 1HD1 LEU 2 -10.535 -1.862 7.600 10 HD12 LEU 2 2HD1 LEU 2 -10.491 -0.616 6.330 11 HD13 LEU 2 3HD1 LEU 2 -11.852 -1.759 6.407 12 HD21 LEU 2 3HD2 LEU 2 -8.998 -4.492 5.799 13 HD22 LEU 2 1HD2 LEU 2 -8.280 -3.184 6.769 14 HD23 LEU 2 2HD2 LEU 2 -9.791 -3.961 7.301 15 H PHE 3 H PHE 3 -11.060 -4.987 2.120 16 HA PHE 3 HA PHE 3 -8.413 -5.193 1.396 17 HB2 PHE 3 1HB PHE 3 -10.731 -6.698 1.279 18 HB3 PHE 3 2HB PHE 3 -10.580 -6.276 -0.415 19 HD1 PHE 3 1HD PHE 3 -8.628 -7.046 -1.715 20 HD2 PHE 3 2HD PHE 3 -9.222 -8.256 2.309 21 HE1 PHE 3 1HE PHE 3 -6.984 -8.915 -2.035 22 HE2 PHE 3 2HE PHE 3 -7.577 -10.125 1.989 23 HZ PHE 3 HZ PHE 3 -6.477 -10.432 -0.178 24 H GLY 4 H GLY 4 -10.983 -3.260 -0.011 25 HA2 GLY 4 1HA GLY 4 -9.638 -2.991 -2.578 26 HA3 GLY 4 2HA GLY 4 -11.159 -2.275 -2.084 27 H ALA 5 H ALA 5 -9.733 -1.453 0.586 28 HA ALA 5 HA ALA 5 -8.882 1.108 -0.427 29 HB1 ALA 5 1HB ALA 5 -10.229 1.303 1.471 30 HB2 ALA 5 2HB ALA 5 -9.491 -0.110 2.266 31 HB3 ALA 5 3HB ALA 5 -8.595 1.425 2.168 32 H ILE 6 H ILE 6 -7.487 -1.925 0.730 33 HA ILE 6 HA ILE 6 -5.073 -1.178 1.695 34 HB ILE 6 HB ILE 6 -5.677 -3.469 -0.179 35 HG12 ILE 6 1HG1 ILE 6 -6.005 -3.113 2.800 36 HG13 ILE 6 2HG1 ILE 6 -7.198 -3.622 1.622 37 HG21 ILE 6 1HG2 ILE 6 -3.596 -3.760 1.895 38 HG22 ILE 6 2HG2 ILE 6 -3.643 -4.343 0.213 39 HG23 ILE 6 3HG2 ILE 6 -3.193 -2.655 0.558 40 HD11 ILE 6 3HD1 ILE 6 -6.529 -5.630 2.725 41 HD12 ILE 6 1HD1 ILE 6 -5.663 -5.661 1.170 42 HD13 ILE 6 2HD1 ILE 6 -4.806 -5.188 2.657 43 H ALA 7 H ALA 7 -6.098 -1.344 -1.759 44 HA ALA 7 HA ALA 7 -3.717 -0.939 -2.998 45 HB1 ALA 7 1HB ALA 7 -5.698 0.733 -4.239 46 HB2 ALA 7 2HB ALA 7 -5.144 -0.887 -4.729 47 HB3 ALA 7 3HB ALA 7 -6.504 -0.717 -3.594 48 H GLY 8 H GLY 8 -5.823 1.494 -1.364 49 HA2 GLY 8 1HA GLY 8 -4.312 3.760 -2.103 50 HA3 GLY 8 2HA GLY 8 -5.447 3.631 -0.773 51 H PHE 9 H PHE 9 -3.968 1.290 0.456 52 HA PHE 9 HA PHE 9 -2.152 2.874 1.991 53 HB2 PHE 9 1HB PHE 9 -3.756 0.559 2.267 54 HB3 PHE 9 2HB PHE 9 -2.134 -0.104 2.233 55 HD1 PHE 9 2HD PHE 9 -0.429 1.385 3.769 56 HD2 PHE 9 1HD PHE 9 -4.610 0.962 4.359 57 HE1 PHE 9 2HE PHE 9 -0.144 1.954 6.198 58 HE2 PHE 9 1HE PHE 9 -4.325 1.533 6.787 59 HZ PHE 9 HZ PHE 9 -2.095 2.022 7.677 60 H ILE 10 H ILE 10 -1.958 0.685 -0.763 61 HA ILE 10 HA ILE 10 0.630 -0.253 -0.445 62 HB ILE 10 HB ILE 10 -0.927 0.371 -2.956 63 HG12 ILE 10 1HG1 ILE 10 -0.805 -2.031 -1.136 64 HG13 ILE 10 2HG1 ILE 10 -2.212 -1.149 -1.698 65 HG21 ILE 10 1HG2 ILE 10 0.558 -1.229 -4.067 66 HG22 ILE 10 2HG2 ILE 10 1.459 0.172 -3.435 67 HG23 ILE 10 3HG2 ILE 10 1.514 -1.385 -2.573 68 HD11 ILE 10 3HD1 ILE 10 -0.471 -3.102 -3.219 69 HD12 ILE 10 1HD1 ILE 10 -2.244 -3.061 -3.067 70 HD13 ILE 10 2HD1 ILE 10 -1.412 -1.877 -4.104 71 H GLU 11 H GLU 11 -0.620 2.933 -1.306 72 HA GLU 11 HA GLU 11 1.615 3.886 -2.623 73 HB2 GLU 11 1HB GLU 11 -0.793 5.016 -1.313 74 HB3 GLU 11 2HB GLU 11 0.575 6.112 -1.331 75 HG2 GLU 11 1HG GLU 11 -0.025 4.638 -3.884 76 HG3 GLU 11 2HG GLU 11 -1.147 5.899 -3.413 77 H ASN 12 H ASN 12 1.092 3.065 0.723 78 HA ASN 12 HA ASN 12 3.469 4.593 1.434 79 HB2 ASN 12 1HB ASN 12 1.085 3.596 3.051 80 HB3 ASN 12 2HB ASN 12 2.589 3.996 3.856 81 HD21 ASN 12 1HD2 ASN 12 -0.273 5.168 3.475 82 HD22 ASN 12 2HD2 ASN 12 -0.005 6.865 3.256 83 H ALA 13 H ALA 13 1.773 1.432 1.425 84 HA ALA 13 HA ALA 13 3.802 0.073 2.907 85 HB1 ALA 13 1HB ALA 13 2.402 -1.780 2.702 86 HB2 ALA 13 2HB ALA 13 1.238 -0.439 2.576 87 HB3 ALA 13 3HB ALA 13 1.795 -1.277 1.107 88 H TRP 14 H TRP 14 3.494 1.270 -0.308 89 HA TRP 14 HA TRP 14 5.361 -0.742 -1.329 90 HB2 TRP 14 1HB TRP 14 3.231 -0.224 -2.561 91 HB3 TRP 14 2HB TRP 14 3.859 1.384 -2.861 92 HD1 TRP 14 HD TRP 14 6.442 -1.405 -3.082 93 HE1 TRP 14 1HE TRP 14 7.181 -1.870 -5.572 94 HE3 TRP 14 3HE TRP 14 2.842 1.466 -5.241 95 HZ2 TRP 14 2HZ TRP 14 6.200 -1.004 -8.108 96 HZ3 TRP 14 3HZ TRP 14 2.803 1.601 -7.730 97 HH2 TRP 14 HH TRP 14 4.405 0.426 -9.153 98 H GLU 15 H GLU 15 4.859 2.792 -1.984 99 HA GLU 15 HA GLU 15 7.320 3.465 -2.635 100 HB2 GLU 15 1HB GLU 15 5.031 4.847 -1.941 101 HB3 GLU 15 2HB GLU 15 6.143 5.389 -0.699 102 HG2 GLU 15 1HG GLU 15 6.932 5.371 -3.640 103 HG3 GLU 15 2HG GLU 15 6.080 6.729 -2.929 104 H GLY 16 H GLY 16 6.192 2.688 0.659 105 HA2 GLY 16 1HA GLY 16 8.470 3.668 2.043 106 HA3 GLY 16 2HA GLY 16 7.268 2.538 2.633 107 H MET 17 H MET 17 7.444 0.353 0.947 108 HA MET 17 HA MET 17 9.769 -0.859 1.902 109 HB2 MET 17 1HB MET 17 7.389 -1.545 0.248 110 HB3 MET 17 2HB MET 17 8.811 -2.471 -0.195 111 HG2 MET 17 1HG MET 17 8.835 -2.516 2.627 112 HG3 MET 17 2HG MET 17 7.137 -2.671 2.223 113 HE1 MET 17 3HE MET 17 6.904 -5.511 2.927 114 HE2 MET 17 1HE MET 17 8.525 -6.241 3.008 115 HE3 MET 17 2HE MET 17 8.227 -4.651 3.749 116 H ILE 18 H ILE 18 9.339 1.311 -0.668 117 HA ILE 18 HA ILE 18 11.414 0.084 -2.309 118 HB ILE 18 HB ILE 18 9.637 2.483 -2.767 119 HG12 ILE 18 1HG1 ILE 18 8.693 0.041 -2.733 120 HG13 ILE 18 2HG1 ILE 18 8.226 1.158 -4.001 121 HG21 ILE 18 1HG2 ILE 18 11.501 2.988 -4.038 122 HG22 ILE 18 2HG2 ILE 18 11.869 1.279 -4.377 123 HG23 ILE 18 3HG2 ILE 18 10.498 2.072 -5.188 124 HD11 ILE 18 3HD1 ILE 18 9.776 0.177 -5.575 125 HD12 ILE 18 1HD1 ILE 18 10.575 -0.764 -4.293 126 HD13 ILE 18 2HD1 ILE 18 8.916 -1.171 -4.793 127 H ASP 19 H ASP 19 10.713 2.930 -0.235 128 HA ASP 19 HA ASP 19 13.190 4.145 -0.827 129 HB2 ASP 19 1HB ASP 19 11.271 5.474 -0.067 130 HB3 ASP 19 2HB ASP 19 11.159 4.546 1.416 131 H GLY 20 H GLY 20 14.433 2.005 -0.366 132 HA2 GLY 20 1HA GLY 20 16.228 1.687 1.266 133 HA3 GLY 20 2HA GLY 20 15.016 1.787 2.528 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.052 -3.905 2.333 2 HA2 GLY 1 1HA GLY 1 -14.416 -2.021 0.195 3 HA3 GLY 1 2HA GLY 1 -15.024 -1.655 1.797 4 H LEU 2 H LEU 2 -12.994 -3.545 3.081 5 HA LEU 2 HA LEU 2 -10.941 -1.583 3.367 6 HB2 LEU 2 1HB LEU 2 -12.027 -3.302 5.058 7 HB3 LEU 2 2HB LEU 2 -10.737 -4.342 4.487 8 HG LEU 2 HG LEU 2 -9.050 -2.770 5.226 9 HD11 LEU 2 1HD1 LEU 2 -11.393 -0.948 5.613 10 HD12 LEU 2 2HD1 LEU 2 -9.974 -0.777 6.675 11 HD13 LEU 2 3HD1 LEU 2 -9.790 -0.623 4.912 12 HD21 LEU 2 3HD2 LEU 2 -9.118 -3.591 7.292 13 HD22 LEU 2 1HD2 LEU 2 -10.580 -2.659 7.696 14 HD23 LEU 2 2HD2 LEU 2 -10.726 -4.240 6.892 15 H PHE 3 H PHE 3 -11.143 -4.953 2.045 16 HA PHE 3 HA PHE 3 -8.501 -5.184 1.310 17 HB2 PHE 3 1HB PHE 3 -10.840 -6.655 1.176 18 HB3 PHE 3 2HB PHE 3 -10.688 -6.207 -0.511 19 HD1 PHE 3 2HD PHE 3 -8.155 -7.202 2.051 20 HD2 PHE 3 1HD PHE 3 -9.944 -8.030 -1.707 21 HE1 PHE 3 2HE PHE 3 -6.536 -9.087 1.696 22 HE2 PHE 3 1HE PHE 3 -8.325 -9.915 -2.063 23 HZ PHE 3 HZ PHE 3 -6.641 -10.421 -0.357 24 H GLY 4 H GLY 4 -11.048 -3.194 -0.058 25 HA2 GLY 4 1HA GLY 4 -9.704 -2.899 -2.623 26 HA3 GLY 4 2HA GLY 4 -11.216 -2.174 -2.115 27 H ALA 5 H ALA 5 -9.768 -1.418 0.567 28 HA ALA 5 HA ALA 5 -8.892 1.153 -0.406 29 HB1 ALA 5 1HB ALA 5 -9.472 1.862 1.670 30 HB2 ALA 5 2HB ALA 5 -10.259 0.273 1.819 31 HB3 ALA 5 3HB ALA 5 -8.621 0.519 2.469 32 H ILE 6 H ILE 6 -7.534 -1.916 0.698 33 HA ILE 6 HA ILE 6 -5.110 -1.216 1.675 34 HB ILE 6 HB ILE 6 -5.742 -3.466 -0.239 35 HG12 ILE 6 1HG1 ILE 6 -6.066 -3.158 2.746 36 HG13 ILE 6 2HG1 ILE 6 -7.265 -3.633 1.560 37 HG21 ILE 6 1HG2 ILE 6 -3.820 -4.601 0.639 38 HG22 ILE 6 2HG2 ILE 6 -3.310 -3.002 0.045 39 HG23 ILE 6 3HG2 ILE 6 -3.504 -3.281 1.792 40 HD11 ILE 6 3HD1 ILE 6 -4.847 -5.247 2.477 41 HD12 ILE 6 1HD1 ILE 6 -6.567 -5.644 2.706 42 HD13 ILE 6 2HD1 ILE 6 -5.850 -5.705 1.079 43 H ALA 7 H ALA 7 -6.134 -1.316 -1.783 44 HA ALA 7 HA ALA 7 -3.746 -0.912 -3.012 45 HB1 ALA 7 1HB ALA 7 -5.326 -1.032 -4.622 46 HB2 ALA 7 2HB ALA 7 -6.589 -0.381 -3.549 47 HB3 ALA 7 3HB ALA 7 -5.496 0.727 -4.412 48 H GLY 8 H GLY 8 -5.833 1.511 -1.340 49 HA2 GLY 8 1HA GLY 8 -4.304 3.775 -2.043 50 HA3 GLY 8 2HA GLY 8 -5.441 3.636 -0.716 51 H PHE 9 H PHE 9 -3.983 1.265 0.478 52 HA PHE 9 HA PHE 9 -2.157 2.810 2.038 53 HB2 PHE 9 1HB PHE 9 -3.798 0.557 2.334 54 HB3 PHE 9 2HB PHE 9 -2.220 -0.192 2.183 55 HD1 PHE 9 2HD PHE 9 -3.557 2.826 3.950 56 HD2 PHE 9 1HD PHE 9 -1.306 -0.762 4.208 57 HE1 PHE 9 2HE PHE 9 -3.108 3.282 6.376 58 HE2 PHE 9 1HE PHE 9 -0.856 -0.305 6.635 59 HZ PHE 9 HZ PHE 9 -1.763 1.711 7.690 60 H ILE 10 H ILE 10 -1.978 0.661 -0.749 61 HA ILE 10 HA ILE 10 0.604 -0.303 -0.443 62 HB ILE 10 HB ILE 10 -0.946 0.372 -2.946 63 HG12 ILE 10 1HG1 ILE 10 -0.848 -2.058 -1.163 64 HG13 ILE 10 2HG1 ILE 10 -2.246 -1.156 -1.712 65 HG21 ILE 10 1HG2 ILE 10 1.475 -1.416 -2.590 66 HG22 ILE 10 2HG2 ILE 10 0.527 -1.214 -4.083 67 HG23 ILE 10 3HG2 ILE 10 1.443 0.159 -3.417 68 HD11 ILE 10 3HD1 ILE 10 -0.431 -2.927 -3.406 69 HD12 ILE 10 1HD1 ILE 10 -2.144 -3.202 -3.006 70 HD13 ILE 10 2HD1 ILE 10 -1.686 -1.867 -4.091 71 H GLU 11 H GLU 11 -0.620 2.906 -1.256 72 HA GLU 11 HA GLU 11 1.624 3.861 -2.555 73 HB2 GLU 11 1HB GLU 11 -0.769 4.998 -1.214 74 HB3 GLU 11 2HB GLU 11 0.610 6.080 -1.245 75 HG2 GLU 11 1HG GLU 11 0.771 5.334 -3.799 76 HG3 GLU 11 2HG GLU 11 -0.907 4.877 -3.573 77 H ASN 12 H ASN 12 1.090 2.993 0.777 78 HA ASN 12 HA ASN 12 3.479 4.489 1.514 79 HB2 ASN 12 1HB ASN 12 1.081 3.494 3.108 80 HB3 ASN 12 2HB ASN 12 2.588 3.854 3.927 81 HD21 ASN 12 1HD2 ASN 12 2.096 5.641 5.012 82 HD22 ASN 12 2HD2 ASN 12 1.574 7.142 4.323 83 H ALA 13 H ALA 13 1.757 1.343 1.455 84 HA ALA 13 HA ALA 13 3.773 -0.055 2.918 85 HB1 ALA 13 1HB ALA 13 1.274 -0.606 2.727 86 HB2 ALA 13 2HB ALA 13 1.643 -1.224 1.099 87 HB3 ALA 13 3HB ALA 13 2.404 -1.966 2.526 88 H TRP 14 H TRP 14 3.479 1.194 -0.280 89 HA TRP 14 HA TRP 14 5.330 -0.818 -1.330 90 HB2 TRP 14 1HB TRP 14 3.206 -0.263 -2.556 91 HB3 TRP 14 2HB TRP 14 3.849 1.345 -2.830 92 HD1 TRP 14 HD TRP 14 6.407 -1.461 -3.091 93 HE1 TRP 14 1HE TRP 14 7.146 -1.894 -5.587 94 HE3 TRP 14 3HE TRP 14 2.835 1.472 -5.209 95 HZ2 TRP 14 2HZ TRP 14 6.175 -0.981 -8.111 96 HZ3 TRP 14 3HZ TRP 14 2.799 1.647 -7.696 97 HH2 TRP 14 HH TRP 14 4.393 0.479 -9.135 98 H GLU 15 H GLU 15 4.858 2.731 -1.930 99 HA GLU 15 HA GLU 15 7.326 3.393 -2.567 100 HB2 GLU 15 1HB GLU 15 5.136 4.831 -2.106 101 HB3 GLU 15 2HB GLU 15 5.919 5.180 -0.577 102 HG2 GLU 15 1HG GLU 15 7.853 6.143 -1.676 103 HG3 GLU 15 2HG GLU 15 7.357 5.530 -3.241 104 H GLY 16 H GLY 16 6.188 2.572 0.711 105 HA2 GLY 16 1HA GLY 16 8.435 3.526 2.139 106 HA3 GLY 16 2HA GLY 16 7.264 2.337 2.674 107 H MET 17 H MET 17 7.505 0.202 0.977 108 HA MET 17 HA MET 17 9.931 -0.906 1.844 109 HB2 MET 17 1HB MET 17 7.771 -1.818 -0.132 110 HB3 MET 17 2HB MET 17 9.116 -2.845 0.324 111 HG2 MET 17 1HG MET 17 8.349 -2.297 2.808 112 HG3 MET 17 2HG MET 17 6.832 -1.847 2.053 113 HE1 MET 17 3HE MET 17 6.096 -5.260 3.577 114 HE2 MET 17 1HE MET 17 6.277 -3.513 3.868 115 HE3 MET 17 2HE MET 17 5.067 -4.101 2.703 116 H ILE 18 H ILE 18 9.239 1.193 -0.729 117 HA ILE 18 HA ILE 18 11.245 0.022 -2.488 118 HB ILE 18 HB ILE 18 9.370 2.362 -2.853 119 HG12 ILE 18 1HG1 ILE 18 8.484 -0.093 -2.702 120 HG13 ILE 18 2HG1 ILE 18 7.908 0.980 -3.962 121 HG21 ILE 18 1HG2 ILE 18 11.128 2.880 -4.264 122 HG22 ILE 18 2HG2 ILE 18 11.504 1.174 -4.603 123 HG23 ILE 18 3HG2 ILE 18 10.060 1.927 -5.321 124 HD11 ILE 18 3HD1 ILE 18 8.972 -1.532 -4.399 125 HD12 ILE 18 1HD1 ILE 18 8.882 -0.246 -5.626 126 HD13 ILE 18 2HD1 ILE 18 10.381 -0.486 -4.698 127 H ASP 19 H ASP 19 10.712 2.617 -0.144 128 HA ASP 19 HA ASP 19 13.190 3.860 -0.959 129 HB2 ASP 19 1HB ASP 19 11.036 4.599 1.069 130 HB3 ASP 19 2HB ASP 19 12.534 5.498 0.929 131 H GLY 20 H GLY 20 14.679 2.181 -0.199 132 HA2 GLY 20 1HA GLY 20 15.095 2.238 2.695 133 HA3 GLY 20 2HA GLY 20 14.797 0.676 1.958 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.762 -3.951 2.671 2 HA2 GLY 1 1HA GLY 1 -14.315 -1.922 0.596 3 HA3 GLY 1 2HA GLY 1 -14.841 -1.650 2.245 4 H LEU 2 H LEU 2 -12.769 -3.630 3.310 5 HA LEU 2 HA LEU 2 -10.684 -1.702 3.607 6 HB2 LEU 2 1HB LEU 2 -11.705 -3.507 5.250 7 HB3 LEU 2 2HB LEU 2 -10.455 -4.521 4.557 8 HG LEU 2 HG LEU 2 -8.928 -2.408 5.157 9 HD11 LEU 2 1HD1 LEU 2 -10.739 -1.021 5.993 10 HD12 LEU 2 2HD1 LEU 2 -11.174 -2.267 7.186 11 HD13 LEU 2 3HD1 LEU 2 -9.610 -1.427 7.307 12 HD21 LEU 2 3HD2 LEU 2 -8.302 -4.510 5.953 13 HD22 LEU 2 1HD2 LEU 2 -8.558 -3.554 7.432 14 HD23 LEU 2 2HD2 LEU 2 -9.799 -4.712 6.894 15 H PHE 3 H PHE 3 -10.990 -4.986 2.105 16 HA PHE 3 HA PHE 3 -8.388 -5.197 1.228 17 HB2 PHE 3 1HB PHE 3 -10.747 -6.639 1.128 18 HB3 PHE 3 2HB PHE 3 -10.673 -6.097 -0.536 19 HD1 PHE 3 2HD PHE 3 -8.488 -6.586 -1.827 20 HD2 PHE 3 1HD PHE 3 -9.550 -8.526 1.795 21 HE1 PHE 3 2HE PHE 3 -6.909 -8.460 -2.368 22 HE2 PHE 3 1HE PHE 3 -7.971 -10.400 1.253 23 HZ PHE 3 HZ PHE 3 -6.669 -10.345 -0.822 24 H GLY 4 H GLY 4 -10.979 -3.112 0.105 25 HA2 GLY 4 1HA GLY 4 -9.760 -2.682 -2.504 26 HA3 GLY 4 2HA GLY 4 -11.237 -1.975 -1.880 27 H ALA 5 H ALA 5 -9.654 -1.383 0.765 28 HA ALA 5 HA ALA 5 -8.799 1.231 -0.103 29 HB1 ALA 5 1HB ALA 5 -8.281 1.053 2.599 30 HB2 ALA 5 2HB ALA 5 -9.832 1.564 1.888 31 HB3 ALA 5 3HB ALA 5 -9.599 -0.127 2.399 32 H ILE 6 H ILE 6 -7.418 -1.906 0.750 33 HA ILE 6 HA ILE 6 -4.941 -1.284 1.641 34 HB ILE 6 HB ILE 6 -5.693 -3.412 -0.367 35 HG12 ILE 6 1HG1 ILE 6 -5.862 -3.279 2.644 36 HG13 ILE 6 2HG1 ILE 6 -7.124 -3.673 1.494 37 HG21 ILE 6 1HG2 ILE 6 -3.339 -3.319 1.539 38 HG22 ILE 6 2HG2 ILE 6 -3.743 -4.621 0.395 39 HG23 ILE 6 3HG2 ILE 6 -3.255 -3.021 -0.214 40 HD11 ILE 6 3HD1 ILE 6 -5.463 -5.652 0.816 41 HD12 ILE 6 1HD1 ILE 6 -4.828 -5.374 2.455 42 HD13 ILE 6 2HD1 ILE 6 -6.539 -5.808 2.225 43 H ALA 7 H ALA 7 -6.139 -1.171 -1.759 44 HA ALA 7 HA ALA 7 -3.813 -0.715 -3.084 45 HB1 ALA 7 1HB ALA 7 -6.203 0.976 -3.750 46 HB2 ALA 7 2HB ALA 7 -5.171 -0.007 -4.815 47 HB3 ALA 7 3HB ALA 7 -6.387 -0.794 -3.780 48 H GLY 8 H GLY 8 -5.780 1.621 -1.162 49 HA2 GLY 8 1HA GLY 8 -4.263 3.911 -1.809 50 HA3 GLY 8 2HA GLY 8 -5.331 3.701 -0.435 51 H PHE 9 H PHE 9 -3.846 1.253 0.543 52 HA PHE 9 HA PHE 9 -1.920 2.683 2.093 53 HB2 PHE 9 1HB PHE 9 -3.583 0.516 2.444 54 HB3 PHE 9 2HB PHE 9 -2.124 -0.339 1.985 55 HD1 PHE 9 1HD PHE 9 -0.095 -0.170 3.397 56 HD2 PHE 9 2HD PHE 9 -3.781 1.563 4.587 57 HE1 PHE 9 1HE PHE 9 0.746 -0.004 5.756 58 HE2 PHE 9 2HE PHE 9 -2.940 1.730 6.946 59 HZ PHE 9 HZ PHE 9 -0.687 0.945 7.502 60 H ILE 10 H ILE 10 -1.912 0.705 -0.824 61 HA ILE 10 HA ILE 10 0.670 -0.299 -0.713 62 HB ILE 10 HB ILE 10 -0.999 0.540 -3.085 63 HG12 ILE 10 1HG1 ILE 10 -0.838 -1.994 -1.459 64 HG13 ILE 10 2HG1 ILE 10 -2.252 -1.046 -1.879 65 HG21 ILE 10 1HG2 ILE 10 1.354 0.336 -3.700 66 HG22 ILE 10 2HG2 ILE 10 1.419 -1.283 -2.963 67 HG23 ILE 10 3HG2 ILE 10 0.393 -0.994 -4.388 68 HD11 ILE 10 3HD1 ILE 10 -0.544 -2.709 -3.783 69 HD12 ILE 10 1HD1 ILE 10 -2.223 -3.028 -3.289 70 HD13 ILE 10 2HD1 ILE 10 -1.849 -1.624 -4.315 71 H GLU 11 H GLU 11 -0.556 2.965 -1.266 72 HA GLU 11 HA GLU 11 1.629 3.976 -2.622 73 HB2 GLU 11 1HB GLU 11 -0.516 5.175 -0.860 74 HB3 GLU 11 2HB GLU 11 0.801 6.188 -1.417 75 HG2 GLU 11 1HG GLU 11 0.137 4.956 -3.774 76 HG3 GLU 11 2HG GLU 11 -1.424 4.937 -2.979 77 H ASN 12 H ASN 12 1.259 2.913 0.674 78 HA ASN 12 HA ASN 12 3.702 4.340 1.374 79 HB2 ASN 12 1HB ASN 12 1.213 3.864 2.801 80 HB3 ASN 12 2HB ASN 12 2.509 3.078 3.679 81 HD21 ASN 12 1HD2 ASN 12 0.836 5.874 3.301 82 HD22 ASN 12 2HD2 ASN 12 1.955 7.031 3.939 83 H ALA 13 H ALA 13 1.940 1.220 1.217 84 HA ALA 13 HA ALA 13 4.013 -0.283 2.485 85 HB1 ALA 13 1HB ALA 13 1.375 -0.790 1.161 86 HB2 ALA 13 2HB ALA 13 2.521 -2.149 1.255 87 HB3 ALA 13 3HB ALA 13 1.982 -1.335 2.743 88 H TRP 14 H TRP 14 3.567 1.159 -0.611 89 HA TRP 14 HA TRP 14 5.337 -0.802 -1.876 90 HB2 TRP 14 1HB TRP 14 3.159 -0.155 -2.954 91 HB3 TRP 14 2HB TRP 14 3.805 1.461 -3.165 92 HD1 TRP 14 HD TRP 14 6.314 -1.347 -3.727 93 HE1 TRP 14 1HE TRP 14 6.917 -1.635 -6.280 94 HE3 TRP 14 3HE TRP 14 2.671 1.739 -5.475 95 HZ2 TRP 14 2HZ TRP 14 5.827 -0.563 -8.690 96 HZ3 TRP 14 3HZ TRP 14 2.509 2.065 -7.941 97 HH2 TRP 14 HH TRP 14 4.011 0.973 -9.531 98 H GLU 15 H GLU 15 4.878 2.780 -2.238 99 HA GLU 15 HA GLU 15 7.316 3.459 -2.963 100 HB2 GLU 15 1HB GLU 15 5.125 4.849 -2.176 101 HB3 GLU 15 2HB GLU 15 6.162 5.194 -0.807 102 HG2 GLU 15 1HG GLU 15 7.137 6.810 -2.066 103 HG3 GLU 15 2HG GLU 15 7.867 5.533 -3.018 104 H GLY 16 H GLY 16 6.295 2.767 0.428 105 HA2 GLY 16 1HA GLY 16 8.732 3.473 1.659 106 HA3 GLY 16 2HA GLY 16 7.479 2.437 2.311 107 H MET 17 H MET 17 7.400 0.318 0.451 108 HA MET 17 HA MET 17 9.605 -1.155 1.319 109 HB2 MET 17 1HB MET 17 7.211 -1.528 -0.456 110 HB3 MET 17 2HB MET 17 8.540 -2.624 -0.775 111 HG2 MET 17 1HG MET 17 8.419 -2.719 1.995 112 HG3 MET 17 2HG MET 17 6.731 -2.484 1.587 113 HE1 MET 17 3HE MET 17 8.442 -6.371 1.979 114 HE2 MET 17 1HE MET 17 9.637 -5.070 1.769 115 HE3 MET 17 2HE MET 17 8.322 -4.887 2.954 116 H ILE 18 H ILE 18 9.366 1.185 -1.123 117 HA ILE 18 HA ILE 18 11.313 -0.131 -2.847 118 HB ILE 18 HB ILE 18 9.642 2.362 -3.128 119 HG12 ILE 18 1HG1 ILE 18 9.634 -0.319 -4.542 120 HG13 ILE 18 2HG1 ILE 18 8.405 0.308 -3.463 121 HG21 ILE 18 1HG2 ILE 18 10.608 2.701 -5.314 122 HG22 ILE 18 2HG2 ILE 18 11.898 2.718 -4.088 123 HG23 ILE 18 3HG2 ILE 18 11.663 1.281 -5.111 124 HD11 ILE 18 3HD1 ILE 18 7.437 0.921 -5.470 125 HD12 ILE 18 1HD1 ILE 18 8.454 2.361 -5.228 126 HD13 ILE 18 2HD1 ILE 18 9.003 1.054 -6.305 127 H ASP 19 H ASP 19 10.947 2.397 -0.392 128 HA ASP 19 HA ASP 19 13.816 2.818 -0.630 129 HB2 ASP 19 1HB ASP 19 11.606 4.792 -0.731 130 HB3 ASP 19 2HB ASP 19 12.825 5.195 0.461 131 H GLY 20 H GLY 20 14.422 1.635 1.231 132 HA2 GLY 20 1HA GLY 20 13.102 1.020 3.467 133 HA3 GLY 20 2HA GLY 20 14.809 1.416 3.460 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -14.602 -4.450 0.886 2 HA2 GLY 1 1HA GLY 1 -14.247 -2.270 0.469 3 HA3 GLY 1 2HA GLY 1 -14.830 -1.921 2.085 4 H LEU 2 H LEU 2 -12.706 -3.737 3.325 5 HA LEU 2 HA LEU 2 -10.714 -1.705 3.554 6 HB2 LEU 2 1HB LEU 2 -11.702 -3.450 5.278 7 HB3 LEU 2 2HB LEU 2 -10.391 -4.449 4.682 8 HG LEU 2 HG LEU 2 -8.832 -2.500 5.234 9 HD11 LEU 2 1HD1 LEU 2 -10.762 -1.523 7.252 10 HD12 LEU 2 2HD1 LEU 2 -9.527 -0.649 6.313 11 HD13 LEU 2 3HD1 LEU 2 -11.092 -1.050 5.567 12 HD21 LEU 2 3HD2 LEU 2 -9.768 -4.646 6.746 13 HD22 LEU 2 1HD2 LEU 2 -8.295 -3.690 7.034 14 HD23 LEU 2 2HD2 LEU 2 -9.810 -3.259 7.861 15 H PHE 3 H PHE 3 -10.838 -5.085 2.251 16 HA PHE 3 HA PHE 3 -8.206 -5.235 1.455 17 HB2 PHE 3 1HB PHE 3 -10.499 -6.781 1.382 18 HB3 PHE 3 2HB PHE 3 -10.401 -6.337 -0.310 19 HD1 PHE 3 2HD PHE 3 -7.802 -7.263 2.213 20 HD2 PHE 3 1HD PHE 3 -9.603 -8.115 -1.533 21 HE1 PHE 3 2HE PHE 3 -6.132 -9.096 1.827 22 HE2 PHE 3 1HE PHE 3 -7.932 -9.948 -1.919 23 HZ PHE 3 HZ PHE 3 -6.217 -10.417 -0.234 24 H GLY 4 H GLY 4 -10.849 -3.334 0.139 25 HA2 GLY 4 1HA GLY 4 -9.581 -3.012 -2.460 26 HA3 GLY 4 2HA GLY 4 -11.097 -2.325 -1.913 27 H ALA 5 H ALA 5 -9.622 -1.504 0.724 28 HA ALA 5 HA ALA 5 -8.836 1.079 -0.282 29 HB1 ALA 5 1HB ALA 5 -8.440 0.520 2.579 30 HB2 ALA 5 2HB ALA 5 -9.429 1.770 1.788 31 HB3 ALA 5 3HB ALA 5 -10.081 0.128 2.011 32 H ILE 6 H ILE 6 -7.358 -1.942 0.802 33 HA ILE 6 HA ILE 6 -4.928 -1.166 1.700 34 HB ILE 6 HB ILE 6 -5.552 -3.450 -0.175 35 HG12 ILE 6 1HG1 ILE 6 -5.796 -3.124 2.816 36 HG13 ILE 6 2HG1 ILE 6 -7.015 -3.644 1.670 37 HG21 ILE 6 1HG2 ILE 6 -3.521 -4.377 0.263 38 HG22 ILE 6 2HG2 ILE 6 -3.071 -2.657 0.362 39 HG23 ILE 6 3HG2 ILE 6 -3.369 -3.587 1.850 40 HD11 ILE 6 3HD1 ILE 6 -4.657 -5.183 2.760 41 HD12 ILE 6 1HD1 ILE 6 -6.354 -5.692 2.589 42 HD13 ILE 6 2HD1 ILE 6 -5.301 -5.607 1.157 43 H ALA 7 H ALA 7 -6.053 -1.321 -1.722 44 HA ALA 7 HA ALA 7 -3.717 -0.867 -3.029 45 HB1 ALA 7 1HB ALA 7 -5.712 -1.255 -4.265 46 HB2 ALA 7 2HB ALA 7 -6.544 0.126 -3.509 47 HB3 ALA 7 3HB ALA 7 -5.226 0.409 -4.672 48 H GLY 8 H GLY 8 -5.809 1.518 -1.308 49 HA2 GLY 8 1HA GLY 8 -4.359 3.813 -2.072 50 HA3 GLY 8 2HA GLY 8 -5.450 3.656 -0.709 51 H PHE 9 H PHE 9 -3.902 1.332 0.458 52 HA PHE 9 HA PHE 9 -2.064 2.930 1.949 53 HB2 PHE 9 1HB PHE 9 -3.659 0.762 2.444 54 HB3 PHE 9 2HB PHE 9 -2.198 -0.105 2.011 55 HD1 PHE 9 2HD PHE 9 -2.963 2.921 4.078 56 HD2 PHE 9 1HD PHE 9 -1.027 -0.847 3.838 57 HE1 PHE 9 2HE PHE 9 -2.092 3.220 6.412 58 HE2 PHE 9 1HE PHE 9 -0.156 -0.548 6.174 59 HZ PHE 9 HZ PHE 9 -0.700 1.482 7.433 60 H ILE 10 H ILE 10 -1.919 0.768 -0.830 61 HA ILE 10 HA ILE 10 0.694 -0.130 -0.600 62 HB ILE 10 HB ILE 10 -0.949 0.492 -3.056 63 HG12 ILE 10 1HG1 ILE 10 -0.736 -1.924 -1.265 64 HG13 ILE 10 2HG1 ILE 10 -2.171 -1.059 -1.774 65 HG21 ILE 10 1HG2 ILE 10 1.414 0.337 -3.622 66 HG22 ILE 10 2HG2 ILE 10 1.538 -1.214 -2.759 67 HG23 ILE 10 3HG2 ILE 10 0.528 -1.088 -4.219 68 HD11 ILE 10 3HD1 ILE 10 -2.099 -3.079 -3.081 69 HD12 ILE 10 1HD1 ILE 10 -1.616 -1.764 -4.179 70 HD13 ILE 10 2HD1 ILE 10 -0.380 -2.838 -3.479 71 H GLU 11 H GLU 11 -0.634 3.043 -1.394 72 HA GLU 11 HA GLU 11 1.544 4.045 -2.768 73 HB2 GLU 11 1HB GLU 11 -0.466 5.470 -0.969 74 HB3 GLU 11 2HB GLU 11 0.634 6.290 -2.061 75 HG2 GLU 11 1HG GLU 11 -0.482 4.466 -3.786 76 HG3 GLU 11 2HG GLU 11 -1.821 4.697 -2.679 77 H ASN 12 H ASN 12 1.137 3.185 0.584 78 HA ASN 12 HA ASN 12 3.510 4.744 1.238 79 HB2 ASN 12 1HB ASN 12 1.007 4.248 2.648 80 HB3 ASN 12 2HB ASN 12 2.328 3.604 3.603 81 HD21 ASN 12 1HD2 ASN 12 1.563 6.446 1.594 82 HD22 ASN 12 2HD2 ASN 12 2.239 7.646 2.643 83 H ALA 13 H ALA 13 1.865 1.557 1.250 84 HA ALA 13 HA ALA 13 3.960 0.219 2.656 85 HB1 ALA 13 1HB ALA 13 1.361 -0.453 1.346 86 HB2 ALA 13 2HB ALA 13 2.550 -1.769 1.491 87 HB3 ALA 13 3HB ALA 13 1.987 -0.914 2.948 88 H TRP 14 H TRP 14 3.536 1.442 -0.534 89 HA TRP 14 HA TRP 14 5.398 -0.534 -1.634 90 HB2 TRP 14 1HB TRP 14 3.225 -0.032 -2.796 91 HB3 TRP 14 2HB TRP 14 3.823 1.588 -3.096 92 HD1 TRP 14 HD TRP 14 6.436 -1.160 -3.426 93 HE1 TRP 14 1HE TRP 14 7.105 -1.588 -5.942 94 HE3 TRP 14 3HE TRP 14 2.731 1.679 -5.442 95 HZ2 TRP 14 2HZ TRP 14 6.033 -0.711 -8.438 96 HZ3 TRP 14 3HZ TRP 14 2.612 1.841 -7.928 97 HH2 TRP 14 HH TRP 14 4.186 0.703 -9.411 98 H GLU 15 H GLU 15 4.829 3.000 -2.233 99 HA GLU 15 HA GLU 15 7.258 3.715 -2.952 100 HB2 GLU 15 1HB GLU 15 6.682 5.935 -2.405 101 HB3 GLU 15 2HB GLU 15 5.124 5.146 -2.552 102 HG2 GLU 15 1HG GLU 15 4.902 6.317 -0.519 103 HG3 GLU 15 2HG GLU 15 5.329 4.707 0.025 104 H GLY 16 H GLY 16 6.229 2.968 0.394 105 HA2 GLY 16 1HA GLY 16 8.640 3.889 1.626 106 HA3 GLY 16 2HA GLY 16 7.374 2.915 2.344 107 H MET 17 H MET 17 7.287 0.652 0.682 108 HA MET 17 HA MET 17 9.486 -0.755 1.665 109 HB2 MET 17 1HB MET 17 7.169 -1.296 -0.219 110 HB3 MET 17 2HB MET 17 8.461 -2.479 -0.149 111 HG2 MET 17 1HG MET 17 7.165 -1.457 2.406 112 HG3 MET 17 2HG MET 17 6.420 -2.748 1.485 113 HE1 MET 17 3HE MET 17 8.516 -1.579 3.921 114 HE2 MET 17 1HE MET 17 8.307 -3.123 4.780 115 HE3 MET 17 2HE MET 17 9.914 -2.650 4.180 116 H ILE 18 H ILE 18 9.253 1.370 -0.967 117 HA ILE 18 HA ILE 18 11.105 -0.102 -2.643 118 HB ILE 18 HB ILE 18 9.658 2.525 -2.950 119 HG12 ILE 18 1HG1 ILE 18 9.368 -0.027 -4.551 120 HG13 ILE 18 2HG1 ILE 18 8.392 0.329 -3.140 121 HG21 ILE 18 1HG2 ILE 18 10.766 1.686 -5.420 122 HG22 ILE 18 2HG2 ILE 18 11.129 3.155 -4.484 123 HG23 ILE 18 3HG2 ILE 18 12.082 1.676 -4.220 124 HD11 ILE 18 3HD1 ILE 18 8.151 2.694 -4.538 125 HD12 ILE 18 1HD1 ILE 18 8.281 1.511 -5.862 126 HD13 ILE 18 2HD1 ILE 18 6.996 1.343 -4.641 127 H ASP 19 H ASP 19 11.002 2.517 -0.254 128 HA ASP 19 HA ASP 19 13.871 2.819 -0.685 129 HB2 ASP 19 1HB ASP 19 11.890 4.872 0.411 130 HB3 ASP 19 2HB ASP 19 13.616 5.129 0.248 131 H GLY 20 H GLY 20 13.612 0.796 0.887 132 HA2 GLY 20 1HA GLY 20 13.902 1.795 3.620 133 HA3 GLY 20 2HA GLY 20 12.648 0.607 3.329 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -14.701 -4.198 0.805 2 HA2 GLY 1 1HA GLY 1 -14.347 -1.992 0.533 3 HA3 GLY 1 2HA GLY 1 -14.893 -1.734 2.178 4 H LEU 2 H LEU 2 -12.809 -3.692 3.258 5 HA LEU 2 HA LEU 2 -10.751 -1.740 3.584 6 HB2 LEU 2 1HB LEU 2 -11.768 -3.565 5.208 7 HB3 LEU 2 2HB LEU 2 -10.497 -4.561 4.526 8 HG LEU 2 HG LEU 2 -8.854 -2.743 5.188 9 HD11 LEU 2 1HD1 LEU 2 -9.968 -1.469 7.290 10 HD12 LEU 2 2HD1 LEU 2 -9.860 -0.779 5.652 11 HD13 LEU 2 3HD1 LEU 2 -11.370 -1.550 6.195 12 HD21 LEU 2 3HD2 LEU 2 -9.430 -4.928 6.444 13 HD22 LEU 2 1HD2 LEU 2 -8.517 -3.660 7.297 14 HD23 LEU 2 2HD2 LEU 2 -10.258 -3.861 7.603 15 H PHE 3 H PHE 3 -11.001 -5.023 2.066 16 HA PHE 3 HA PHE 3 -8.388 -5.200 1.218 17 HB2 PHE 3 1HB PHE 3 -10.730 -6.668 1.084 18 HB3 PHE 3 2HB PHE 3 -10.643 -6.118 -0.578 19 HD1 PHE 3 1HD PHE 3 -7.448 -6.134 -0.398 20 HD2 PHE 3 2HD PHE 3 -10.510 -8.986 0.310 21 HE1 PHE 3 1HE PHE 3 -5.843 -7.989 -0.929 22 HE2 PHE 3 2HE PHE 3 -8.904 -10.842 -0.220 23 HZ PHE 3 HZ PHE 3 -6.591 -10.321 -0.834 24 H GLY 4 H GLY 4 -10.988 -3.138 0.075 25 HA2 GLY 4 1HA GLY 4 -9.748 -2.684 -2.519 26 HA3 GLY 4 2HA GLY 4 -11.236 -1.992 -1.906 27 H ALA 5 H ALA 5 -9.692 -1.393 0.756 28 HA ALA 5 HA ALA 5 -8.847 1.229 -0.092 29 HB1 ALA 5 1HB ALA 5 -8.438 1.322 2.512 30 HB2 ALA 5 2HB ALA 5 -10.099 1.307 1.872 31 HB3 ALA 5 3HB ALA 5 -9.379 -0.189 2.515 32 H ILE 6 H ILE 6 -7.448 -1.900 0.753 33 HA ILE 6 HA ILE 6 -4.982 -1.255 1.670 34 HB ILE 6 HB ILE 6 -5.699 -3.391 -0.343 35 HG12 ILE 6 1HG1 ILE 6 -5.896 -3.258 2.666 36 HG13 ILE 6 2HG1 ILE 6 -7.144 -3.664 1.506 37 HG21 ILE 6 1HG2 ILE 6 -3.497 -3.726 1.639 38 HG22 ILE 6 2HG2 ILE 6 -3.690 -4.403 0.004 39 HG23 ILE 6 3HG2 ILE 6 -3.188 -2.707 0.211 40 HD11 ILE 6 3HD1 ILE 6 -4.793 -5.336 2.418 41 HD12 ILE 6 1HD1 ILE 6 -6.514 -5.778 2.322 42 HD13 ILE 6 2HD1 ILE 6 -5.544 -5.650 0.836 43 H ALA 7 H ALA 7 -6.157 -1.153 -1.739 44 HA ALA 7 HA ALA 7 -3.829 -0.681 -3.049 45 HB1 ALA 7 1HB ALA 7 -6.002 -0.942 -4.141 46 HB2 ALA 7 2HB ALA 7 -6.556 0.609 -3.464 47 HB3 ALA 7 3HB ALA 7 -5.245 0.581 -4.668 48 H GLY 8 H GLY 8 -5.807 1.633 -1.118 49 HA2 GLY 8 1HA GLY 8 -4.315 3.939 -1.758 50 HA3 GLY 8 2HA GLY 8 -5.370 3.712 -0.378 51 H PHE 9 H PHE 9 -3.873 1.283 0.598 52 HA PHE 9 HA PHE 9 -1.933 2.723 2.122 53 HB2 PHE 9 1HB PHE 9 -3.292 0.055 1.982 54 HB3 PHE 9 2HB PHE 9 -1.651 -0.038 2.590 55 HD1 PHE 9 1HD PHE 9 -4.860 1.767 3.133 56 HD2 PHE 9 2HD PHE 9 -1.219 0.407 4.834 57 HE1 PHE 9 1HE PHE 9 -5.664 2.461 5.407 58 HE2 PHE 9 2HE PHE 9 -2.022 1.099 7.108 59 HZ PHE 9 HZ PHE 9 -4.235 2.118 7.368 60 H ILE 10 H ILE 10 -1.951 0.728 -0.782 61 HA ILE 10 HA ILE 10 0.633 -0.277 -0.686 62 HB ILE 10 HB ILE 10 -1.061 0.548 -3.047 63 HG12 ILE 10 1HG1 ILE 10 -0.870 -1.978 -1.411 64 HG13 ILE 10 2HG1 ILE 10 -2.293 -1.042 -1.822 65 HG21 ILE 10 1HG2 ILE 10 1.358 -1.276 -2.950 66 HG22 ILE 10 2HG2 ILE 10 0.325 -0.968 -4.367 67 HG23 ILE 10 3HG2 ILE 10 1.298 0.350 -3.672 68 HD11 ILE 10 3HD1 ILE 10 -1.855 -1.619 -4.276 69 HD12 ILE 10 1HD1 ILE 10 -0.606 -2.749 -3.700 70 HD13 ILE 10 2HD1 ILE 10 -2.307 -2.995 -3.241 71 H GLU 11 H GLU 11 -0.597 2.985 -1.248 72 HA GLU 11 HA GLU 11 1.577 3.988 -2.629 73 HB2 GLU 11 1HB GLU 11 -0.801 5.006 -1.300 74 HB3 GLU 11 2HB GLU 11 0.559 6.054 -0.949 75 HG2 GLU 11 1HG GLU 11 0.088 5.116 -3.793 76 HG3 GLU 11 2HG GLU 11 -0.866 6.436 -3.148 77 H ASN 12 H ASN 12 1.233 2.944 0.677 78 HA ASN 12 HA ASN 12 3.682 4.375 1.349 79 HB2 ASN 12 1HB ASN 12 1.493 3.178 3.127 80 HB3 ASN 12 2HB ASN 12 2.998 3.814 3.761 81 HD21 ASN 12 1HD2 ASN 12 0.768 4.858 1.184 82 HD22 ASN 12 2HD2 ASN 12 0.486 6.462 1.774 83 H ALA 13 H ALA 13 1.918 1.254 1.224 84 HA ALA 13 HA ALA 13 4.002 -0.241 2.484 85 HB1 ALA 13 1HB ALA 13 2.378 -2.001 1.043 86 HB2 ALA 13 2HB ALA 13 2.156 -1.513 2.740 87 HB3 ALA 13 3HB ALA 13 1.292 -0.649 1.446 88 H TRP 14 H TRP 14 3.531 1.183 -0.616 89 HA TRP 14 HA TRP 14 5.290 -0.786 -1.885 90 HB2 TRP 14 1HB TRP 14 3.104 -0.145 -2.948 91 HB3 TRP 14 2HB TRP 14 3.749 1.470 -3.174 92 HD1 TRP 14 HD TRP 14 6.251 -1.343 -3.741 93 HE1 TRP 14 1HE TRP 14 6.833 -1.645 -6.297 94 HE3 TRP 14 3HE TRP 14 2.595 1.736 -5.476 95 HZ2 TRP 14 2HZ TRP 14 5.723 -0.587 -8.704 96 HZ3 TRP 14 3HZ TRP 14 2.413 2.047 -7.942 97 HH2 TRP 14 HH TRP 14 3.902 0.945 -9.538 98 H GLU 15 H GLU 15 4.829 2.794 -2.262 99 HA GLU 15 HA GLU 15 7.262 3.467 -3.012 100 HB2 GLU 15 1HB GLU 15 6.782 5.671 -2.321 101 HB3 GLU 15 2HB GLU 15 5.194 4.946 -2.477 102 HG2 GLU 15 1HG GLU 15 5.182 4.465 -0.012 103 HG3 GLU 15 2HG GLU 15 6.757 5.218 0.135 104 H GLY 16 H GLY 16 6.271 2.771 0.384 105 HA2 GLY 16 1HA GLY 16 8.741 3.478 1.574 106 HA3 GLY 16 2HA GLY 16 7.471 2.491 2.268 107 H MET 17 H MET 17 7.313 0.340 0.438 108 HA MET 17 HA MET 17 9.477 -1.183 1.320 109 HB2 MET 17 1HB MET 17 7.068 -1.509 -0.441 110 HB3 MET 17 2HB MET 17 8.365 -2.643 -0.761 111 HG2 MET 17 1HG MET 17 8.394 -3.069 1.815 112 HG3 MET 17 2HG MET 17 6.858 -2.227 1.854 113 HE1 MET 17 3HE MET 17 9.000 -4.882 0.728 114 HE2 MET 17 1HE MET 17 7.994 -6.094 1.558 115 HE3 MET 17 2HE MET 17 8.041 -6.043 -0.220 116 H ILE 18 H ILE 18 9.303 1.130 -1.154 117 HA ILE 18 HA ILE 18 11.161 -0.265 -2.902 118 HB ILE 18 HB ILE 18 9.790 2.417 -3.123 119 HG12 ILE 18 1HG1 ILE 18 8.470 0.166 -3.272 120 HG13 ILE 18 2HG1 ILE 18 8.185 1.439 -4.443 121 HG21 ILE 18 1HG2 ILE 18 11.878 1.080 -4.782 122 HG22 ILE 18 2HG2 ILE 18 10.573 1.955 -5.619 123 HG23 ILE 18 3HG2 ILE 18 11.605 2.806 -4.445 124 HD11 ILE 18 3HD1 ILE 18 9.123 0.252 -6.177 125 HD12 ILE 18 1HD1 ILE 18 10.381 -0.462 -5.141 126 HD13 ILE 18 2HD1 ILE 18 8.735 -1.140 -5.138 127 H ASP 19 H ASP 19 11.029 2.173 -0.347 128 HA ASP 19 HA ASP 19 13.898 2.517 -0.733 129 HB2 ASP 19 1HB ASP 19 13.748 4.804 -0.090 130 HB3 ASP 19 2HB ASP 19 12.413 4.573 -1.201 131 H GLY 20 H GLY 20 14.066 4.122 1.791 132 HA2 GLY 20 1HA GLY 20 13.983 3.919 4.057 133 HA3 GLY 20 2HA GLY 20 12.940 2.518 3.908 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -14.646 -3.887 -0.005 2 HA2 GLY 1 1HA GLY 1 -14.407 -1.629 -0.182 3 HA3 GLY 1 2HA GLY 1 -15.056 -1.418 1.432 4 H LEU 2 H LEU 2 -13.124 -3.499 2.563 5 HA LEU 2 HA LEU 2 -11.025 -1.644 3.116 6 HB2 LEU 2 1HB LEU 2 -12.218 -3.492 4.584 7 HB3 LEU 2 2HB LEU 2 -10.940 -4.508 3.948 8 HG LEU 2 HG LEU 2 -9.485 -2.359 4.773 9 HD11 LEU 2 1HD1 LEU 2 -11.995 -1.841 5.866 10 HD12 LEU 2 2HD1 LEU 2 -11.055 -2.530 7.211 11 HD13 LEU 2 3HD1 LEU 2 -10.445 -1.105 6.338 12 HD21 LEU 2 3HD2 LEU 2 -9.170 -3.771 6.929 13 HD22 LEU 2 1HD2 LEU 2 -10.261 -4.928 6.128 14 HD23 LEU 2 2HD2 LEU 2 -8.726 -4.470 5.353 15 H PHE 3 H PHE 3 -11.287 -4.848 1.441 16 HA PHE 3 HA PHE 3 -8.629 -5.093 0.766 17 HB2 PHE 3 1HB PHE 3 -11.008 -6.460 0.408 18 HB3 PHE 3 2HB PHE 3 -10.784 -5.845 -1.217 19 HD1 PHE 3 2HD PHE 3 -8.406 -7.219 1.319 20 HD2 PHE 3 1HD PHE 3 -10.023 -7.525 -2.592 21 HE1 PHE 3 2HE PHE 3 -6.835 -9.112 0.818 22 HE2 PHE 3 1HE PHE 3 -8.452 -9.418 -3.093 23 HZ PHE 3 HZ PHE 3 -6.878 -10.189 -1.382 24 H GLY 4 H GLY 4 -11.067 -2.884 -0.460 25 HA2 GLY 4 1HA GLY 4 -9.632 -2.372 -2.941 26 HA3 GLY 4 2HA GLY 4 -11.134 -1.649 -2.402 27 H ALA 5 H ALA 5 -9.759 -1.222 0.384 28 HA ALA 5 HA ALA 5 -8.764 1.399 -0.287 29 HB1 ALA 5 1HB ALA 5 -10.331 0.655 1.679 30 HB2 ALA 5 2HB ALA 5 -8.811 0.180 2.476 31 HB3 ALA 5 3HB ALA 5 -9.068 1.873 1.986 32 H ILE 6 H ILE 6 -7.540 -1.814 0.512 33 HA ILE 6 HA ILE 6 -5.124 -1.304 1.624 34 HB ILE 6 HB ILE 6 -5.774 -3.324 -0.526 35 HG12 ILE 6 1HG1 ILE 6 -6.176 -3.309 2.465 36 HG13 ILE 6 2HG1 ILE 6 -7.354 -3.618 1.205 37 HG21 ILE 6 1HG2 ILE 6 -3.286 -2.769 0.212 38 HG22 ILE 6 2HG2 ILE 6 -3.723 -3.809 1.588 39 HG23 ILE 6 3HG2 ILE 6 -3.836 -4.437 -0.074 40 HD11 ILE 6 3HD1 ILE 6 -6.837 -5.781 2.018 41 HD12 ILE 6 1HD1 ILE 6 -5.836 -5.645 0.553 42 HD13 ILE 6 2HD1 ILE 6 -5.101 -5.413 2.157 43 H ALA 7 H ALA 7 -6.052 -1.014 -1.850 44 HA ALA 7 HA ALA 7 -3.621 -0.578 -2.975 45 HB1 ALA 7 1HB ALA 7 -6.147 1.007 -3.582 46 HB2 ALA 7 2HB ALA 7 -4.825 0.604 -4.704 47 HB3 ALA 7 3HB ALA 7 -5.889 -0.681 -4.084 48 H GLY 8 H GLY 8 -5.647 1.728 -1.083 49 HA2 GLY 8 1HA GLY 8 -4.032 3.999 -1.517 50 HA3 GLY 8 2HA GLY 8 -5.189 3.755 -0.223 51 H PHE 9 H PHE 9 -3.852 1.233 0.744 52 HA PHE 9 HA PHE 9 -1.975 2.530 2.460 53 HB2 PHE 9 1HB PHE 9 -3.414 -0.075 2.108 54 HB3 PHE 9 2HB PHE 9 -1.824 -0.257 2.824 55 HD1 PHE 9 1HD PHE 9 -1.338 0.657 5.030 56 HD2 PHE 9 2HD PHE 9 -5.193 1.068 3.305 57 HE1 PHE 9 1HE PHE 9 -2.275 1.284 7.272 58 HE2 PHE 9 2HE PHE 9 -6.130 1.696 5.547 59 HZ PHE 9 HZ PHE 9 -4.659 1.796 7.504 60 H ILE 10 H ILE 10 -1.858 0.661 -0.523 61 HA ILE 10 HA ILE 10 0.674 -0.446 -0.295 62 HB ILE 10 HB ILE 10 -0.819 0.542 -2.728 63 HG12 ILE 10 1HG1 ILE 10 -0.834 -2.056 -1.197 64 HG13 ILE 10 2HG1 ILE 10 -2.190 -1.048 -1.662 65 HG21 ILE 10 1HG2 ILE 10 1.519 -1.378 -2.548 66 HG22 ILE 10 2HG2 ILE 10 0.601 -0.969 -4.016 67 HG23 ILE 10 3HG2 ILE 10 1.571 0.278 -3.196 68 HD11 ILE 10 3HD1 ILE 10 -2.240 -2.866 -3.202 69 HD12 ILE 10 1HD1 ILE 10 -1.499 -1.533 -4.120 70 HD13 ILE 10 2HD1 ILE 10 -0.476 -2.821 -3.439 71 H GLU 11 H GLU 11 -0.396 2.881 -0.796 72 HA GLU 11 HA GLU 11 1.904 3.856 -1.978 73 HB2 GLU 11 1HB GLU 11 1.021 6.001 -1.533 74 HB3 GLU 11 2HB GLU 11 -0.405 4.985 -1.613 75 HG2 GLU 11 1HG GLU 11 -0.302 4.751 0.920 76 HG3 GLU 11 2HG GLU 11 1.015 5.908 0.929 77 H ASN 12 H ASN 12 1.292 2.689 1.247 78 HA ASN 12 HA ASN 12 3.737 3.995 2.148 79 HB2 ASN 12 1HB ASN 12 1.334 2.874 3.670 80 HB3 ASN 12 2HB ASN 12 2.836 3.272 4.482 81 HD21 ASN 12 1HD2 ASN 12 0.295 4.445 4.937 82 HD22 ASN 12 2HD2 ASN 12 0.381 6.135 4.568 83 H ALA 13 H ALA 13 1.877 0.952 1.764 84 HA ALA 13 HA ALA 13 3.811 -0.674 3.097 85 HB1 ALA 13 1HB ALA 13 1.154 -0.911 2.378 86 HB2 ALA 13 2HB ALA 13 1.963 -1.961 1.188 87 HB3 ALA 13 3HB ALA 13 2.191 -2.249 2.930 88 H TRP 14 H TRP 14 3.611 0.897 0.037 89 HA TRP 14 HA TRP 14 5.383 -1.084 -1.193 90 HB2 TRP 14 1HB TRP 14 3.300 -0.315 -2.375 91 HB3 TRP 14 2HB TRP 14 4.017 1.281 -2.484 92 HD1 TRP 14 HD TRP 14 6.451 -1.599 -3.002 93 HE1 TRP 14 1HE TRP 14 7.200 -1.818 -5.523 94 HE3 TRP 14 3HE TRP 14 3.038 1.687 -4.845 95 HZ2 TRP 14 2HZ TRP 14 6.301 -0.618 -7.951 96 HZ3 TRP 14 3HZ TRP 14 3.041 2.107 -7.303 97 HH2 TRP 14 HH TRP 14 4.598 1.016 -8.840 98 H GLU 15 H GLU 15 5.077 2.524 -1.442 99 HA GLU 15 HA GLU 15 7.579 3.132 -1.994 100 HB2 GLU 15 1HB GLU 15 5.421 4.597 -1.351 101 HB3 GLU 15 2HB GLU 15 6.292 4.802 0.156 102 HG2 GLU 15 1HG GLU 15 7.203 6.577 -1.026 103 HG3 GLU 15 2HG GLU 15 8.348 5.332 -1.484 104 H GLY 16 H GLY 16 6.380 1.986 1.152 105 HA2 GLY 16 1HA GLY 16 8.706 2.690 2.651 106 HA3 GLY 16 2HA GLY 16 7.415 1.602 3.124 107 H MET 17 H MET 17 7.439 -0.400 1.205 108 HA MET 17 HA MET 17 9.648 -1.887 2.037 109 HB2 MET 17 1HB MET 17 7.169 -2.249 0.562 110 HB3 MET 17 2HB MET 17 8.455 -3.001 -0.361 111 HG2 MET 17 1HG MET 17 8.442 -3.536 2.598 112 HG3 MET 17 2HG MET 17 7.155 -4.274 1.665 113 HE1 MET 17 3HE MET 17 8.558 -6.230 2.993 114 HE2 MET 17 1HE MET 17 7.753 -6.856 1.535 115 HE3 MET 17 2HE MET 17 9.431 -7.326 1.897 116 H ILE 18 H ILE 18 9.422 0.569 -0.289 117 HA ILE 18 HA ILE 18 11.435 -0.635 -2.024 118 HB ILE 18 HB ILE 18 9.791 1.884 -2.278 119 HG12 ILE 18 1HG1 ILE 18 9.618 -0.707 -3.840 120 HG13 ILE 18 2HG1 ILE 18 8.571 -0.298 -2.496 121 HG21 ILE 18 1HG2 ILE 18 11.515 2.543 -3.572 122 HG22 ILE 18 2HG2 ILE 18 12.145 0.891 -3.773 123 HG23 ILE 18 3HG2 ILE 18 10.771 1.445 -4.759 124 HD11 ILE 18 3HD1 ILE 18 7.293 1.060 -3.790 125 HD12 ILE 18 1HD1 ILE 18 8.723 1.909 -4.425 126 HD13 ILE 18 2HD1 ILE 18 8.174 0.400 -5.189 127 H ASP 19 H ASP 19 10.947 1.752 0.536 128 HA ASP 19 HA ASP 19 12.274 3.188 1.498 129 HB2 ASP 19 1HB ASP 19 13.390 0.731 1.755 130 HB3 ASP 19 2HB ASP 19 14.705 1.514 0.902 131 H GLY 20 H GLY 20 11.858 4.030 -1.100 132 HA2 GLY 20 1HA GLY 20 14.277 4.357 -2.597 133 HA3 GLY 20 2HA GLY 20 12.717 5.095 -2.903 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -14.788 -4.122 2.465 2 HA2 GLY 1 1HA GLY 1 -14.263 -2.221 0.302 3 HA3 GLY 1 2HA GLY 1 -14.874 -1.867 1.906 4 H LEU 2 H LEU 2 -12.780 -3.691 3.186 5 HA LEU 2 HA LEU 2 -10.785 -1.666 3.448 6 HB2 LEU 2 1HB LEU 2 -11.812 -3.404 5.157 7 HB3 LEU 2 2HB LEU 2 -10.494 -4.409 4.587 8 HG LEU 2 HG LEU 2 -9.032 -2.275 5.122 9 HD11 LEU 2 1HD1 LEU 2 -10.294 -1.511 7.445 10 HD12 LEU 2 2HD1 LEU 2 -10.234 -0.575 5.932 11 HD13 LEU 2 3HD1 LEU 2 -11.638 -1.611 6.283 12 HD21 LEU 2 3HD2 LEU 2 -10.064 -3.988 7.392 13 HD22 LEU 2 1HD2 LEU 2 -8.921 -4.562 6.155 14 HD23 LEU 2 2HD2 LEU 2 -8.466 -3.222 7.234 15 H PHE 3 H PHE 3 -10.899 -5.049 2.149 16 HA PHE 3 HA PHE 3 -8.254 -5.211 1.404 17 HB2 PHE 3 1HB PHE 3 -10.552 -6.748 1.290 18 HB3 PHE 3 2HB PHE 3 -10.420 -6.308 -0.400 19 HD1 PHE 3 2HD PHE 3 -7.218 -6.224 -0.040 20 HD2 PHE 3 1HD PHE 3 -10.262 -9.106 0.610 21 HE1 PHE 3 2HE PHE 3 -5.548 -8.065 -0.388 22 HE2 PHE 3 1HE PHE 3 -8.593 -10.948 0.261 23 HZ PHE 3 HZ PHE 3 -6.256 -10.405 -0.234 24 H GLY 4 H GLY 4 -10.864 -3.302 0.036 25 HA2 GLY 4 1HA GLY 4 -9.547 -2.991 -2.541 26 HA3 GLY 4 2HA GLY 4 -11.070 -2.296 -2.024 27 H ALA 5 H ALA 5 -9.641 -1.475 0.638 28 HA ALA 5 HA ALA 5 -8.825 1.102 -0.358 29 HB1 ALA 5 1HB ALA 5 -10.294 0.816 1.632 30 HB2 ALA 5 2HB ALA 5 -8.960 -0.010 2.474 31 HB3 ALA 5 3HB ALA 5 -8.798 1.702 2.015 32 H ILE 6 H ILE 6 -7.380 -1.923 0.758 33 HA ILE 6 HA ILE 6 -4.963 -1.155 1.699 34 HB ILE 6 HB ILE 6 -5.563 -3.439 -0.184 35 HG12 ILE 6 1HG1 ILE 6 -5.860 -3.109 2.802 36 HG13 ILE 6 2HG1 ILE 6 -7.060 -3.624 1.633 37 HG21 ILE 6 1HG2 ILE 6 -3.147 -2.953 0.035 38 HG22 ILE 6 2HG2 ILE 6 -3.293 -3.135 1.800 39 HG23 ILE 6 3HG2 ILE 6 -3.608 -4.524 0.733 40 HD11 ILE 6 3HD1 ILE 6 -5.264 -5.571 1.168 41 HD12 ILE 6 1HD1 ILE 6 -4.783 -5.177 2.836 42 HD13 ILE 6 2HD1 ILE 6 -6.450 -5.694 2.488 43 H ALA 7 H ALA 7 -6.026 -1.313 -1.745 44 HA ALA 7 HA ALA 7 -3.664 -0.868 -3.007 45 HB1 ALA 7 1HB ALA 7 -6.179 0.617 -3.792 46 HB2 ALA 7 2HB ALA 7 -4.970 -0.172 -4.834 47 HB3 ALA 7 3HB ALA 7 -6.103 -1.160 -3.881 48 H GLY 8 H GLY 8 -5.781 1.525 -1.330 49 HA2 GLY 8 1HA GLY 8 -4.309 3.815 -2.072 50 HA3 GLY 8 2HA GLY 8 -5.426 3.664 -0.730 51 H PHE 9 H PHE 9 -3.906 1.336 0.470 52 HA PHE 9 HA PHE 9 -2.093 2.932 1.993 53 HB2 PHE 9 1HB PHE 9 -3.690 0.678 2.359 54 HB3 PHE 9 2HB PHE 9 -2.124 -0.077 2.137 55 HD1 PHE 9 1HD PHE 9 -3.881 2.489 4.172 56 HD2 PHE 9 2HD PHE 9 -0.613 -0.207 3.917 57 HE1 PHE 9 1HE PHE 9 -3.325 2.936 6.578 58 HE2 PHE 9 2HE PHE 9 -0.057 0.240 6.324 59 HZ PHE 9 HZ PHE 9 -1.420 1.806 7.625 60 H ILE 10 H ILE 10 -1.902 0.763 -0.778 61 HA ILE 10 HA ILE 10 0.702 -0.144 -0.496 62 HB ILE 10 HB ILE 10 -0.890 0.480 -2.985 63 HG12 ILE 10 1HG1 ILE 10 -0.719 -1.934 -1.185 64 HG13 ILE 10 2HG1 ILE 10 -2.143 -1.065 -1.723 65 HG21 ILE 10 1HG2 ILE 10 1.586 -1.233 -2.635 66 HG22 ILE 10 2HG2 ILE 10 0.603 -1.109 -4.115 67 HG23 ILE 10 3HG2 ILE 10 1.481 0.316 -3.507 68 HD11 ILE 10 3HD1 ILE 10 -1.567 -1.779 -4.111 69 HD12 ILE 10 1HD1 ILE 10 -0.319 -2.836 -3.406 70 HD13 ILE 10 2HD1 ILE 10 -2.035 -3.102 -3.016 71 H GLU 11 H GLU 11 -0.591 3.038 -1.274 72 HA GLU 11 HA GLU 11 1.598 4.038 -2.633 73 HB2 GLU 11 1HB GLU 11 0.622 6.184 -2.288 74 HB3 GLU 11 2HB GLU 11 -0.732 5.073 -2.345 75 HG2 GLU 11 1HG GLU 11 -1.372 5.981 -0.358 76 HG3 GLU 11 2HG GLU 11 -0.083 5.036 0.360 77 H ASN 12 H ASN 12 1.155 3.176 0.722 78 HA ASN 12 HA ASN 12 3.565 4.676 1.380 79 HB2 ASN 12 1HB ASN 12 2.831 4.644 3.703 80 HB3 ASN 12 2HB ASN 12 1.456 5.152 2.741 81 HD21 ASN 12 1HD2 ASN 12 3.014 2.330 4.205 82 HD22 ASN 12 2HD2 ASN 12 1.577 1.417 4.528 83 H ALA 13 H ALA 13 1.838 1.540 1.368 84 HA ALA 13 HA ALA 13 3.859 0.145 2.827 85 HB1 ALA 13 1HB ALA 13 1.913 -1.007 3.075 86 HB2 ALA 13 2HB ALA 13 1.246 -0.410 1.536 87 HB3 ALA 13 3HB ALA 13 2.391 -1.773 1.540 88 H TRP 14 H TRP 14 3.532 1.364 -0.382 89 HA TRP 14 HA TRP 14 5.377 -0.655 -1.428 90 HB2 TRP 14 1HB TRP 14 3.240 -0.109 -2.639 91 HB3 TRP 14 2HB TRP 14 3.886 1.493 -2.937 92 HD1 TRP 14 HD TRP 14 6.435 -1.322 -3.189 93 HE1 TRP 14 1HE TRP 14 7.148 -1.788 -5.687 94 HE3 TRP 14 3HE TRP 14 2.848 1.593 -5.309 95 HZ2 TRP 14 2HZ TRP 14 6.155 -0.906 -8.212 96 HZ3 TRP 14 3HZ TRP 14 2.789 1.736 -7.797 97 HH2 TRP 14 HH TRP 14 4.366 0.547 -9.237 98 H GLU 15 H GLU 15 4.900 2.887 -2.060 99 HA GLU 15 HA GLU 15 7.363 3.542 -2.724 100 HB2 GLU 15 1HB GLU 15 6.824 5.779 -2.208 101 HB3 GLU 15 2HB GLU 15 5.252 5.023 -2.393 102 HG2 GLU 15 1HG GLU 15 5.000 6.213 -0.374 103 HG3 GLU 15 2HG GLU 15 5.376 4.598 0.192 104 H GLY 16 H GLY 16 6.251 2.755 0.571 105 HA2 GLY 16 1HA GLY 16 8.568 3.702 1.929 106 HA3 GLY 16 2HA GLY 16 7.337 2.616 2.544 107 H MET 17 H MET 17 7.414 0.390 0.948 108 HA MET 17 HA MET 17 9.748 -0.850 1.851 109 HB2 MET 17 1HB MET 17 7.279 -1.533 0.327 110 HB3 MET 17 2HB MET 17 8.655 -2.518 -0.129 111 HG2 MET 17 1HG MET 17 7.657 -3.717 1.674 112 HG3 MET 17 2HG MET 17 9.030 -2.914 2.408 113 HE1 MET 17 3HE MET 17 6.077 -3.277 4.800 114 HE2 MET 17 1HE MET 17 7.625 -3.904 4.185 115 HE3 MET 17 2HE MET 17 7.607 -2.504 5.284 116 H ILE 18 H ILE 18 9.254 1.232 -0.781 117 HA ILE 18 HA ILE 18 11.257 -0.104 -2.432 118 HB ILE 18 HB ILE 18 9.478 2.269 -3.006 119 HG12 ILE 18 1HG1 ILE 18 8.469 -0.123 -2.685 120 HG13 ILE 18 2HG1 ILE 18 7.969 0.877 -4.035 121 HG21 ILE 18 1HG2 ILE 18 11.657 0.920 -4.538 122 HG22 ILE 18 2HG2 ILE 18 10.221 1.480 -5.427 123 HG23 ILE 18 3HG2 ILE 18 11.185 2.635 -4.476 124 HD11 ILE 18 3HD1 ILE 18 9.008 -0.461 -5.598 125 HD12 ILE 18 1HD1 ILE 18 10.373 -0.839 -4.520 126 HD13 ILE 18 2HD1 ILE 18 8.822 -1.690 -4.324 127 H ASP 19 H ASP 19 10.694 2.644 -0.272 128 HA ASP 19 HA ASP 19 12.875 4.156 -1.121 129 HB2 ASP 19 1HB ASP 19 10.863 4.779 0.426 130 HB3 ASP 19 2HB ASP 19 11.799 4.066 1.725 131 H GLY 20 H GLY 20 12.458 1.292 0.909 132 HA2 GLY 20 1HA GLY 20 14.716 0.114 1.037 133 HA3 GLY 20 2HA GLY 20 15.209 1.529 1.946 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -14.016 -4.223 1.102 2 HA2 GLY 1 1HA GLY 1 -14.378 -1.880 0.419 3 HA3 GLY 1 2HA GLY 1 -14.948 -1.578 2.048 4 H LEU 2 H LEU 2 -12.901 -3.531 3.206 5 HA LEU 2 HA LEU 2 -10.829 -1.592 3.524 6 HB2 LEU 2 1HB LEU 2 -11.890 -3.370 5.171 7 HB3 LEU 2 2HB LEU 2 -10.619 -4.393 4.531 8 HG LEU 2 HG LEU 2 -9.012 -2.463 5.152 9 HD11 LEU 2 1HD1 LEU 2 -11.531 -1.620 6.570 10 HD12 LEU 2 2HD1 LEU 2 -9.925 -1.232 7.234 11 HD13 LEU 2 3HD1 LEU 2 -10.386 -0.645 5.618 12 HD21 LEU 2 3HD2 LEU 2 -9.994 -3.537 7.700 13 HD22 LEU 2 1HD2 LEU 2 -9.782 -4.767 6.431 14 HD23 LEU 2 2HD2 LEU 2 -8.417 -3.726 6.899 15 H PHE 3 H PHE 3 -11.086 -4.905 2.075 16 HA PHE 3 HA PHE 3 -8.462 -5.125 1.274 17 HB2 PHE 3 1HB PHE 3 -10.815 -6.574 1.132 18 HB3 PHE 3 2HB PHE 3 -10.697 -6.059 -0.538 19 HD1 PHE 3 2HD PHE 3 -8.393 -7.444 2.067 20 HD2 PHE 3 1HD PHE 3 -9.716 -7.568 -1.963 21 HE1 PHE 3 2HE PHE 3 -6.797 -9.324 1.600 22 HE2 PHE 3 1HE PHE 3 -8.122 -9.449 -2.430 23 HZ PHE 3 HZ PHE 3 -6.681 -10.304 -0.642 24 H GLY 4 H GLY 4 -11.024 -3.065 0.042 25 HA2 GLY 4 1HA GLY 4 -9.740 -2.681 -2.541 26 HA3 GLY 4 2HA GLY 4 -11.227 -1.956 -1.963 27 H ALA 5 H ALA 5 -9.727 -1.309 0.706 28 HA ALA 5 HA ALA 5 -8.833 1.279 -0.187 29 HB1 ALA 5 1HB ALA 5 -8.394 1.240 2.495 30 HB2 ALA 5 2HB ALA 5 -9.982 1.578 1.765 31 HB3 ALA 5 3HB ALA 5 -9.606 -0.057 2.360 32 H ILE 6 H ILE 6 -7.482 -1.845 0.764 33 HA ILE 6 HA ILE 6 -5.021 -1.207 1.692 34 HB ILE 6 HB ILE 6 -5.737 -3.381 -0.280 35 HG12 ILE 6 1HG1 ILE 6 -5.969 -3.175 2.723 36 HG13 ILE 6 2HG1 ILE 6 -7.208 -3.594 1.556 37 HG21 ILE 6 1HG2 ILE 6 -3.288 -2.940 -0.038 38 HG22 ILE 6 2HG2 ILE 6 -3.445 -3.312 1.696 39 HG23 ILE 6 3HG2 ILE 6 -3.801 -4.563 0.481 40 HD11 ILE 6 3HD1 ILE 6 -4.818 -5.267 2.418 41 HD12 ILE 6 1HD1 ILE 6 -6.547 -5.669 2.548 42 HD13 ILE 6 2HD1 ILE 6 -5.756 -5.645 0.953 43 H ALA 7 H ALA 7 -6.163 -1.143 -1.726 44 HA ALA 7 HA ALA 7 -3.816 -0.744 -3.029 45 HB1 ALA 7 1HB ALA 7 -5.329 0.794 -4.523 46 HB2 ALA 7 2HB ALA 7 -5.739 -0.930 -4.350 47 HB3 ALA 7 3HB ALA 7 -6.626 0.294 -3.411 48 H GLY 8 H GLY 8 -5.771 1.664 -1.180 49 HA2 GLY 8 1HA GLY 8 -4.197 3.910 -1.834 50 HA3 GLY 8 2HA GLY 8 -5.290 3.744 -0.475 51 H PHE 9 H PHE 9 -3.867 1.282 0.563 52 HA PHE 9 HA PHE 9 -1.939 2.700 2.121 53 HB2 PHE 9 1HB PHE 9 -3.647 0.558 2.464 54 HB3 PHE 9 2HB PHE 9 -2.182 -0.317 2.066 55 HD1 PHE 9 2HD PHE 9 -3.361 2.399 4.340 56 HD2 PHE 9 1HD PHE 9 -0.733 -0.885 3.775 57 HE1 PHE 9 2HE PHE 9 -2.590 2.608 6.718 58 HE2 PHE 9 1HE PHE 9 0.039 -0.676 6.154 59 HZ PHE 9 HZ PHE 9 -0.899 1.068 7.598 60 H ILE 10 H ILE 10 -1.923 0.678 -0.765 61 HA ILE 10 HA ILE 10 0.638 -0.372 -0.596 62 HB ILE 10 HB ILE 10 -0.978 0.462 -3.007 63 HG12 ILE 10 1HG1 ILE 10 -0.890 -2.051 -1.341 64 HG13 ILE 10 2HG1 ILE 10 -2.278 -1.084 -1.797 65 HG21 ILE 10 1HG2 ILE 10 0.407 -1.158 -4.245 66 HG22 ILE 10 2HG2 ILE 10 1.356 0.211 -3.618 67 HG23 ILE 10 3HG2 ILE 10 1.427 -1.370 -2.803 68 HD11 ILE 10 3HD1 ILE 10 -2.372 -2.981 -3.235 69 HD12 ILE 10 1HD1 ILE 10 -1.691 -1.690 -4.254 70 HD13 ILE 10 2HD1 ILE 10 -0.622 -2.928 -3.554 71 H GLU 11 H GLU 11 -0.517 2.905 -1.219 72 HA GLU 11 HA GLU 11 1.707 3.855 -2.555 73 HB2 GLU 11 1HB GLU 11 0.804 6.004 -2.183 74 HB3 GLU 11 2HB GLU 11 -0.604 4.961 -2.141 75 HG2 GLU 11 1HG GLU 11 -0.368 4.864 0.396 76 HG3 GLU 11 2HG GLU 11 0.912 6.053 0.274 77 H ASN 12 H ASN 12 1.265 2.849 0.751 78 HA ASN 12 HA ASN 12 3.722 4.242 1.468 79 HB2 ASN 12 1HB ASN 12 1.239 3.492 2.973 80 HB3 ASN 12 2HB ASN 12 2.735 3.267 3.858 81 HD21 ASN 12 1HD2 ASN 12 0.513 5.183 4.172 82 HD22 ASN 12 2HD2 ASN 12 1.212 6.768 4.159 83 H ALA 13 H ALA 13 1.906 1.153 1.330 84 HA ALA 13 HA ALA 13 3.930 -0.368 2.654 85 HB1 ALA 13 1HB ALA 13 1.247 -0.688 2.067 86 HB2 ALA 13 2HB ALA 13 2.025 -1.788 0.905 87 HB3 ALA 13 3HB ALA 13 2.332 -1.973 2.648 88 H TRP 14 H TRP 14 3.560 1.034 -0.471 89 HA TRP 14 HA TRP 14 5.313 -0.978 -1.678 90 HB2 TRP 14 1HB TRP 14 3.164 -0.308 -2.799 91 HB3 TRP 14 2HB TRP 14 3.845 1.291 -3.024 92 HD1 TRP 14 HD TRP 14 6.308 -1.570 -3.504 93 HE1 TRP 14 1HE TRP 14 6.945 -1.908 -6.042 94 HE3 TRP 14 3HE TRP 14 2.751 1.557 -5.356 95 HZ2 TRP 14 2HZ TRP 14 5.913 -0.854 -8.485 96 HZ3 TRP 14 3HZ TRP 14 2.634 1.847 -7.830 97 HH2 TRP 14 HH TRP 14 4.140 0.702 -9.377 98 H GLU 15 H GLU 15 4.926 2.606 -2.100 99 HA GLU 15 HA GLU 15 7.389 3.227 -2.796 100 HB2 GLU 15 1HB GLU 15 5.609 4.751 -0.847 101 HB3 GLU 15 2HB GLU 15 7.031 5.448 -1.595 102 HG2 GLU 15 1HG GLU 15 5.402 4.178 -3.642 103 HG3 GLU 15 2HG GLU 15 4.396 5.252 -2.692 104 H GLY 16 H GLY 16 6.346 2.269 0.473 105 HA2 GLY 16 1HA GLY 16 8.590 3.120 1.923 106 HA3 GLY 16 2HA GLY 16 7.492 1.826 2.355 107 H MET 17 H MET 17 7.791 -0.162 0.556 108 HA MET 17 HA MET 17 10.305 -1.187 1.226 109 HB2 MET 17 1HB MET 17 9.558 -3.125 -0.157 110 HB3 MET 17 2HB MET 17 8.243 -2.567 0.857 111 HG2 MET 17 1HG MET 17 7.037 -1.677 -0.941 112 HG3 MET 17 2HG MET 17 8.475 -1.339 -1.885 113 HE1 MET 17 3HE MET 17 9.428 -4.056 -3.783 114 HE2 MET 17 1HE MET 17 10.049 -2.964 -2.521 115 HE3 MET 17 2HE MET 17 9.912 -4.709 -2.199 116 H ILE 18 H ILE 18 9.409 1.065 -1.147 117 HA ILE 18 HA ILE 18 11.339 0.139 -3.106 118 HB ILE 18 HB ILE 18 9.410 2.459 -3.051 119 HG12 ILE 18 1HG1 ILE 18 9.391 -0.097 -4.682 120 HG13 ILE 18 2HG1 ILE 18 8.417 0.186 -3.254 121 HG21 ILE 18 1HG2 ILE 18 10.432 3.390 -4.786 122 HG22 ILE 18 2HG2 ILE 18 11.786 2.264 -4.532 123 HG23 ILE 18 3HG2 ILE 18 10.477 1.841 -5.661 124 HD11 ILE 18 3HD1 ILE 18 7.824 0.932 -5.943 125 HD12 ILE 18 1HD1 ILE 18 6.873 1.291 -4.483 126 HD13 ILE 18 2HD1 ILE 18 8.108 2.443 -5.047 127 H ASP 19 H ASP 19 10.947 2.487 -0.475 128 HA ASP 19 HA ASP 19 13.745 3.124 -0.823 129 HB2 ASP 19 1HB ASP 19 11.477 4.992 -1.161 130 HB3 ASP 19 2HB ASP 19 12.622 5.548 0.043 131 H GLY 20 H GLY 20 13.838 1.651 1.100 132 HA2 GLY 20 1HA GLY 20 12.366 1.956 3.433 133 HA3 GLY 20 2HA GLY 20 13.966 1.255 3.307 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -14.602 -4.067 0.691 2 HA2 GLY 1 1HA GLY 1 -14.354 -1.830 0.411 3 HA3 GLY 1 2HA GLY 1 -14.918 -1.557 2.048 4 H LEU 2 H LEU 2 -12.883 -3.548 3.160 5 HA LEU 2 HA LEU 2 -10.795 -1.631 3.508 6 HB2 LEU 2 1HB LEU 2 -11.865 -3.431 5.125 7 HB3 LEU 2 2HB LEU 2 -10.605 -4.452 4.464 8 HG LEU 2 HG LEU 2 -9.240 -2.127 5.130 9 HD11 LEU 2 1HD1 LEU 2 -9.924 -1.887 7.596 10 HD12 LEU 2 2HD1 LEU 2 -10.924 -1.080 6.363 11 HD13 LEU 2 3HD1 LEU 2 -11.474 -2.607 7.094 12 HD21 LEU 2 3HD2 LEU 2 -9.558 -4.833 6.381 13 HD22 LEU 2 1HD2 LEU 2 -8.160 -4.119 5.542 14 HD23 LEU 2 2HD2 LEU 2 -8.574 -3.592 7.192 15 H PHE 3 H PHE 3 -11.084 -4.915 1.999 16 HA PHE 3 HA PHE 3 -8.464 -5.143 1.186 17 HB2 PHE 3 1HB PHE 3 -10.830 -6.568 1.025 18 HB3 PHE 3 2HB PHE 3 -10.711 -6.024 -0.636 19 HD1 PHE 3 1HD PHE 3 -7.965 -7.028 1.667 20 HD2 PHE 3 2HD PHE 3 -10.196 -7.963 -1.820 21 HE1 PHE 3 1HE PHE 3 -6.387 -8.913 1.163 22 HE2 PHE 3 2HE PHE 3 -8.617 -9.849 -2.323 23 HZ PHE 3 HZ PHE 3 -6.732 -10.302 -0.826 24 H GLY 4 H GLY 4 -11.011 -3.038 0.000 25 HA2 GLY 4 1HA GLY 4 -9.730 -2.618 -2.580 26 HA3 GLY 4 2HA GLY 4 -11.210 -1.891 -1.984 27 H ALA 5 H ALA 5 -9.697 -1.306 0.692 28 HA ALA 5 HA ALA 5 -8.782 1.291 -0.155 29 HB1 ALA 5 1HB ALA 5 -9.769 -0.007 2.267 30 HB2 ALA 5 2HB ALA 5 -8.313 0.962 2.594 31 HB3 ALA 5 3HB ALA 5 -9.735 1.720 1.839 32 H ILE 6 H ILE 6 -7.455 -1.862 0.734 33 HA ILE 6 HA ILE 6 -4.988 -1.264 1.667 34 HB ILE 6 HB ILE 6 -5.728 -3.394 -0.342 35 HG12 ILE 6 1HG1 ILE 6 -5.951 -3.242 2.664 36 HG13 ILE 6 2HG1 ILE 6 -7.196 -3.629 1.493 37 HG21 ILE 6 1HG2 ILE 6 -3.739 -4.430 0.006 38 HG22 ILE 6 2HG2 ILE 6 -3.206 -2.750 0.255 39 HG23 ILE 6 3HG2 ILE 6 -3.559 -3.788 1.657 40 HD11 ILE 6 3HD1 ILE 6 -4.791 -5.337 2.258 41 HD12 ILE 6 1HD1 ILE 6 -6.514 -5.714 2.497 42 HD13 ILE 6 2HD1 ILE 6 -5.827 -5.695 0.856 43 H ALA 7 H ALA 7 -6.128 -1.144 -1.752 44 HA ALA 7 HA ALA 7 -3.776 -0.730 -3.042 45 HB1 ALA 7 1HB ALA 7 -5.800 -0.937 -4.281 46 HB2 ALA 7 2HB ALA 7 -6.545 0.446 -3.442 47 HB3 ALA 7 3HB ALA 7 -5.217 0.714 -4.597 48 H GLY 8 H GLY 8 -5.736 1.646 -1.162 49 HA2 GLY 8 1HA GLY 8 -4.170 3.907 -1.788 50 HA3 GLY 8 2HA GLY 8 -5.263 3.720 -0.431 51 H PHE 9 H PHE 9 -3.835 1.249 0.576 52 HA PHE 9 HA PHE 9 -1.912 2.652 2.155 53 HB2 PHE 9 1HB PHE 9 -3.606 0.619 2.627 54 HB3 PHE 9 2HB PHE 9 -2.321 -0.371 1.966 55 HD1 PHE 9 1HD PHE 9 -3.042 2.106 4.637 56 HD2 PHE 9 2HD PHE 9 -0.530 -1.048 3.313 57 HE1 PHE 9 1HE PHE 9 -1.926 2.051 6.885 58 HE2 PHE 9 2HE PHE 9 0.587 -1.102 5.561 59 HZ PHE 9 HZ PHE 9 -0.125 0.448 7.319 60 H ILE 10 H ILE 10 -1.888 0.666 -0.756 61 HA ILE 10 HA ILE 10 0.675 -0.379 -0.600 62 HB ILE 10 HB ILE 10 -0.940 0.481 -3.002 63 HG12 ILE 10 1HG1 ILE 10 -0.848 -2.052 -1.367 64 HG13 ILE 10 2HG1 ILE 10 -2.239 -1.083 -1.813 65 HG21 ILE 10 1HG2 ILE 10 0.449 -1.097 -4.270 66 HG22 ILE 10 2HG2 ILE 10 1.409 0.239 -3.592 67 HG23 ILE 10 3HG2 ILE 10 1.456 -1.368 -2.828 68 HD11 ILE 10 3HD1 ILE 10 -1.834 -1.678 -4.233 69 HD12 ILE 10 1HD1 ILE 10 -0.519 -2.755 -3.702 70 HD13 ILE 10 2HD1 ILE 10 -2.197 -3.087 -3.208 71 H GLU 11 H GLU 11 -0.487 2.903 -1.182 72 HA GLU 11 HA GLU 11 1.736 3.875 -2.504 73 HB2 GLU 11 1HB GLU 11 -0.343 5.170 -0.709 74 HB3 GLU 11 2HB GLU 11 0.942 6.114 -1.436 75 HG2 GLU 11 1HG GLU 11 0.188 5.678 -3.652 76 HG3 GLU 11 2HG GLU 11 -0.743 4.276 -3.164 77 H ASN 12 H ASN 12 1.294 2.826 0.789 78 HA ASN 12 HA ASN 12 3.746 4.215 1.526 79 HB2 ASN 12 1HB ASN 12 1.558 2.996 3.292 80 HB3 ASN 12 2HB ASN 12 3.016 3.750 3.907 81 HD21 ASN 12 1HD2 ASN 12 0.453 4.421 1.519 82 HD22 ASN 12 2HD2 ASN 12 0.168 6.071 1.962 83 H ALA 13 H ALA 13 1.938 1.123 1.346 84 HA ALA 13 HA ALA 13 3.964 -0.409 2.653 85 HB1 ALA 13 1HB ALA 13 1.258 -0.725 1.772 86 HB2 ALA 13 2HB ALA 13 2.232 -2.007 1.014 87 HB3 ALA 13 3HB ALA 13 2.227 -1.824 2.784 88 H TRP 14 H TRP 14 3.594 1.032 -0.454 89 HA TRP 14 HA TRP 14 5.352 -0.961 -1.684 90 HB2 TRP 14 1HB TRP 14 3.203 -0.281 -2.800 91 HB3 TRP 14 2HB TRP 14 3.880 1.323 -3.004 92 HD1 TRP 14 HD TRP 14 6.351 -1.527 -3.518 93 HE1 TRP 14 1HE TRP 14 6.990 -1.832 -6.060 94 HE3 TRP 14 3HE TRP 14 2.788 1.614 -5.333 95 HZ2 TRP 14 2HZ TRP 14 5.958 -0.749 -8.490 96 HZ3 TRP 14 3HZ TRP 14 2.672 1.934 -7.802 97 HH2 TRP 14 HH TRP 14 4.183 0.815 -9.363 98 H GLU 15 H GLU 15 4.958 2.627 -2.062 99 HA GLU 15 HA GLU 15 7.419 3.263 -2.748 100 HB2 GLU 15 1HB GLU 15 5.693 4.950 -2.557 101 HB3 GLU 15 2HB GLU 15 5.581 4.737 -0.821 102 HG2 GLU 15 1HG GLU 15 8.303 5.431 -1.847 103 HG3 GLU 15 2HG GLU 15 7.092 6.684 -2.034 104 H GLY 16 H GLY 16 6.334 2.559 0.615 105 HA2 GLY 16 1HA GLY 16 8.659 3.283 1.972 106 HA3 GLY 16 2HA GLY 16 7.483 2.091 2.488 107 H MET 17 H MET 17 7.640 0.054 0.637 108 HA MET 17 HA MET 17 10.075 -1.137 1.389 109 HB2 MET 17 1HB MET 17 8.237 -2.634 1.160 110 HB3 MET 17 2HB MET 17 7.669 -1.868 -0.311 111 HG2 MET 17 1HG MET 17 8.654 -4.051 -0.864 112 HG3 MET 17 2HG MET 17 9.648 -2.783 -1.550 113 HE1 MET 17 3HE MET 17 10.314 -6.179 0.383 114 HE2 MET 17 1HE MET 17 10.398 -5.462 2.011 115 HE3 MET 17 2HE MET 17 8.939 -5.239 1.014 116 H ILE 18 H ILE 18 9.230 1.009 -1.144 117 HA ILE 18 HA ILE 18 11.176 -0.086 -2.999 118 HB ILE 18 HB ILE 18 9.325 2.295 -3.186 119 HG12 ILE 18 1HG1 ILE 18 8.376 -0.120 -3.086 120 HG13 ILE 18 2HG1 ILE 18 7.811 0.978 -4.329 121 HG21 ILE 18 1HG2 ILE 18 10.972 2.874 -4.677 122 HG22 ILE 18 2HG2 ILE 18 11.404 1.185 -5.036 123 HG23 ILE 18 3HG2 ILE 18 9.915 1.885 -5.715 124 HD11 ILE 18 3HD1 ILE 18 8.842 -0.185 -6.035 125 HD12 ILE 18 1HD1 ILE 18 10.230 -0.646 -5.021 126 HD13 ILE 18 2HD1 ILE 18 8.691 -1.528 -4.876 127 H ASP 19 H ASP 19 10.786 2.427 -0.539 128 HA ASP 19 HA ASP 19 13.560 3.125 -1.037 129 HB2 ASP 19 1HB ASP 19 11.166 4.916 -0.995 130 HB3 ASP 19 2HB ASP 19 12.538 5.494 -0.071 131 H GLY 20 H GLY 20 14.159 1.852 0.839 132 HA2 GLY 20 1HA GLY 20 12.990 1.489 3.209 133 HA3 GLY 20 2HA GLY 20 14.716 1.741 3.040 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -14.126 -4.211 1.003 2 HA2 GLY 1 1HA GLY 1 -14.458 -1.869 0.321 3 HA3 GLY 1 2HA GLY 1 -15.040 -1.557 1.944 4 H LEU 2 H LEU 2 -13.014 -3.517 3.128 5 HA LEU 2 HA LEU 2 -10.933 -1.591 3.454 6 HB2 LEU 2 1HB LEU 2 -12.019 -3.354 5.099 7 HB3 LEU 2 2HB LEU 2 -10.749 -4.388 4.476 8 HG LEU 2 HG LEU 2 -9.166 -2.398 5.090 9 HD11 LEU 2 1HD1 LEU 2 -10.855 -1.750 7.374 10 HD12 LEU 2 2HD1 LEU 2 -9.941 -0.684 6.281 11 HD13 LEU 2 3HD1 LEU 2 -11.571 -1.233 5.829 12 HD21 LEU 2 3HD2 LEU 2 -9.060 -3.289 7.479 13 HD22 LEU 2 1HD2 LEU 2 -10.420 -4.345 7.026 14 HD23 LEU 2 2HD2 LEU 2 -8.869 -4.469 6.160 15 H PHE 3 H PHE 3 -11.200 -4.909 2.018 16 HA PHE 3 HA PHE 3 -8.571 -5.150 1.240 17 HB2 PHE 3 1HB PHE 3 -10.931 -6.584 1.086 18 HB3 PHE 3 2HB PHE 3 -10.795 -6.079 -0.586 19 HD1 PHE 3 1HD PHE 3 -8.230 -7.184 1.896 20 HD2 PHE 3 2HD PHE 3 -10.106 -7.882 -1.846 21 HE1 PHE 3 1HE PHE 3 -6.643 -9.076 1.454 22 HE2 PHE 3 2HE PHE 3 -8.518 -9.775 -2.288 23 HZ PHE 3 HZ PHE 3 -6.806 -10.350 -0.633 24 H GLY 4 H GLY 4 -11.108 -3.079 -0.023 25 HA2 GLY 4 1HA GLY 4 -9.800 -2.715 -2.597 26 HA3 GLY 4 2HA GLY 4 -11.289 -1.979 -2.036 27 H ALA 5 H ALA 5 -9.805 -1.330 0.643 28 HA ALA 5 HA ALA 5 -8.889 1.250 -0.254 29 HB1 ALA 5 1HB ALA 5 -9.073 1.869 2.004 30 HB2 ALA 5 2HB ALA 5 -10.348 0.641 1.823 31 HB3 ALA 5 3HB ALA 5 -8.797 0.208 2.583 32 H ILE 6 H ILE 6 -7.564 -1.877 0.723 33 HA ILE 6 HA ILE 6 -5.109 -1.251 1.671 34 HB ILE 6 HB ILE 6 -5.820 -3.428 -0.299 35 HG12 ILE 6 1HG1 ILE 6 -6.078 -3.208 2.701 36 HG13 ILE 6 2HG1 ILE 6 -7.309 -3.625 1.525 37 HG21 ILE 6 1HG2 ILE 6 -3.681 -3.793 1.731 38 HG22 ILE 6 2HG2 ILE 6 -3.827 -4.438 0.078 39 HG23 ILE 6 3HG2 ILE 6 -3.305 -2.755 0.336 40 HD11 ILE 6 3HD1 ILE 6 -5.727 -5.656 0.944 41 HD12 ILE 6 1HD1 ILE 6 -5.008 -5.313 2.536 42 HD13 ILE 6 2HD1 ILE 6 -6.735 -5.728 2.410 43 H ALA 7 H ALA 7 -6.205 -1.221 -1.766 44 HA ALA 7 HA ALA 7 -3.837 -0.824 -3.033 45 HB1 ALA 7 1HB ALA 7 -5.467 0.821 -4.447 46 HB2 ALA 7 2HB ALA 7 -5.570 -0.955 -4.520 47 HB3 ALA 7 3HB ALA 7 -6.681 -0.042 -3.472 48 H GLY 8 H GLY 8 -5.838 1.586 -1.239 49 HA2 GLY 8 1HA GLY 8 -4.275 3.840 -1.901 50 HA3 GLY 8 2HA GLY 8 -5.387 3.681 -0.554 51 H PHE 9 H PHE 9 -3.958 1.243 0.532 52 HA PHE 9 HA PHE 9 -2.065 2.696 2.102 53 HB2 PHE 9 1HB PHE 9 -3.761 0.626 2.548 54 HB3 PHE 9 2HB PHE 9 -2.393 -0.332 2.014 55 HD1 PHE 9 1HD PHE 9 -2.516 2.739 4.130 56 HD2 PHE 9 2HD PHE 9 -1.543 -1.384 3.891 57 HE1 PHE 9 1HE PHE 9 -1.547 2.834 6.443 58 HE2 PHE 9 2HE PHE 9 -0.574 -1.290 6.204 59 HZ PHE 9 HZ PHE 9 -0.587 0.817 7.452 60 H ILE 10 H ILE 10 -1.990 0.640 -0.758 61 HA ILE 10 HA ILE 10 0.576 -0.387 -0.540 62 HB ILE 10 HB ILE 10 -1.010 0.404 -2.985 63 HG12 ILE 10 1HG1 ILE 10 -0.926 -2.087 -1.285 64 HG13 ILE 10 2HG1 ILE 10 -2.316 -1.138 -1.774 65 HG21 ILE 10 1HG2 ILE 10 1.383 -1.440 -2.739 66 HG22 ILE 10 2HG2 ILE 10 0.404 -1.180 -4.202 67 HG23 ILE 10 3HG2 ILE 10 1.359 0.159 -3.521 68 HD11 ILE 10 3HD1 ILE 10 -1.856 -1.787 -4.178 69 HD12 ILE 10 1HD1 ILE 10 -0.566 -2.860 -3.586 70 HD13 ILE 10 2HD1 ILE 10 -2.258 -3.165 -3.125 71 H GLU 11 H GLU 11 -0.596 2.872 -1.220 72 HA GLU 11 HA GLU 11 1.640 3.824 -2.536 73 HB2 GLU 11 1HB GLU 11 0.713 5.970 -2.205 74 HB3 GLU 11 2HB GLU 11 -0.687 4.915 -2.168 75 HG2 GLU 11 1HG GLU 11 -0.506 4.858 0.366 76 HG3 GLU 11 2HG GLU 11 0.791 6.032 0.261 77 H ASN 12 H ASN 12 1.158 2.857 0.777 78 HA ASN 12 HA ASN 12 3.592 4.278 1.512 79 HB2 ASN 12 1HB ASN 12 1.294 3.171 3.202 80 HB3 ASN 12 2HB ASN 12 2.796 3.729 3.912 81 HD21 ASN 12 1HD2 ASN 12 3.524 5.922 2.764 82 HD22 ASN 12 2HD2 ASN 12 2.333 7.179 2.809 83 H ALA 13 H ALA 13 1.804 1.172 1.385 84 HA ALA 13 HA ALA 13 3.820 -0.315 2.757 85 HB1 ALA 13 1HB ALA 13 1.904 -1.715 0.974 86 HB2 ALA 13 2HB ALA 13 2.271 -1.982 2.695 87 HB3 ALA 13 3HB ALA 13 1.164 -0.674 2.214 88 H TRP 14 H TRP 14 3.485 1.046 -0.389 89 HA TRP 14 HA TRP 14 5.271 -0.966 -1.545 90 HB2 TRP 14 1HB TRP 14 3.134 -0.328 -2.706 91 HB3 TRP 14 2HB TRP 14 3.804 1.274 -2.941 92 HD1 TRP 14 HD TRP 14 6.298 -1.573 -3.350 93 HE1 TRP 14 1HE TRP 14 6.975 -1.936 -5.875 94 HE3 TRP 14 3HE TRP 14 2.744 1.501 -5.292 95 HZ2 TRP 14 2HZ TRP 14 5.970 -0.921 -8.345 96 HZ3 TRP 14 3HZ TRP 14 2.661 1.759 -7.770 97 HH2 TRP 14 HH TRP 14 4.198 0.609 -9.282 98 H GLU 15 H GLU 15 4.862 2.609 -2.018 99 HA GLU 15 HA GLU 15 7.328 3.241 -2.686 100 HB2 GLU 15 1HB GLU 15 5.355 4.803 -2.384 101 HB3 GLU 15 2HB GLU 15 5.713 4.860 -0.669 102 HG2 GLU 15 1HG GLU 15 7.702 6.066 -0.974 103 HG3 GLU 15 2HG GLU 15 7.961 5.446 -2.593 104 H GLY 16 H GLY 16 6.246 2.321 0.582 105 HA2 GLY 16 1HA GLY 16 8.469 3.205 2.047 106 HA3 GLY 16 2HA GLY 16 7.366 1.917 2.488 107 H MET 17 H MET 17 7.688 -0.120 0.776 108 HA MET 17 HA MET 17 10.198 -1.118 1.478 109 HB2 MET 17 1HB MET 17 9.471 -3.066 0.038 110 HB3 MET 17 2HB MET 17 8.216 -2.564 1.153 111 HG2 MET 17 1HG MET 17 6.886 -1.618 -0.540 112 HG3 MET 17 2HG MET 17 8.254 -1.290 -1.585 113 HE1 MET 17 3HE MET 17 6.832 -5.085 -0.072 114 HE2 MET 17 1HE MET 17 5.934 -3.549 -0.002 115 HE3 MET 17 2HE MET 17 5.543 -4.754 -1.253 116 H ILE 18 H ILE 18 9.322 1.078 -0.954 117 HA ILE 18 HA ILE 18 11.268 0.112 -2.876 118 HB ILE 18 HB ILE 18 9.331 2.425 -2.871 119 HG12 ILE 18 1HG1 ILE 18 8.613 -0.079 -3.141 120 HG13 ILE 18 2HG1 ILE 18 7.943 1.158 -4.187 121 HG21 ILE 18 1HG2 ILE 18 9.997 2.533 -5.348 122 HG22 ILE 18 2HG2 ILE 18 11.105 3.248 -4.152 123 HG23 ILE 18 3HG2 ILE 18 11.464 1.654 -4.857 124 HD11 ILE 18 3HD1 ILE 18 10.398 -0.500 -4.919 125 HD12 ILE 18 1HD1 ILE 18 8.738 -0.921 -5.403 126 HD13 ILE 18 2HD1 ILE 18 9.479 0.589 -5.987 127 H ASP 19 H ASP 19 10.829 2.591 -0.354 128 HA ASP 19 HA ASP 19 13.429 3.663 -1.075 129 HB2 ASP 19 1HB ASP 19 11.031 4.687 0.426 130 HB3 ASP 19 2HB ASP 19 12.597 5.288 0.933 131 H GLY 20 H GLY 20 14.669 4.434 1.117 132 HA2 GLY 20 1HA GLY 20 15.718 3.847 3.016 133 HA3 GLY 20 2HA GLY 20 14.242 3.050 3.521
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