NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583805 | 2ruo | 11582 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 1.402 0.268 -2.051 3 HA3 GLY 1 3HA GLY 1 2.856 0.741 -1.185 4 H ALA 2 H ALA 2 3.694 -1.318 0.177 5 HA ALA 2 HA ALA 2 4.014 -3.449 -1.830 6 HB1 ALA 2 1HB ALA 2 6.205 -3.651 -1.276 7 HB2 ALA 2 2HB ALA 2 5.981 -1.961 -0.825 8 HB3 ALA 2 3HB ALA 2 5.935 -3.216 0.412 9 H ALA 3 H ALA 3 1.877 -3.189 0.227 10 HA ALA 3 HA ALA 3 2.466 -5.328 2.105 11 HB1 ALA 3 1HB ALA 3 0.081 -4.869 2.848 12 HB2 ALA 3 2HB ALA 3 1.247 -3.564 3.069 13 HB3 ALA 3 3HB ALA 3 0.106 -3.509 1.725 14 H LEU 4 H LEU 4 0.842 -4.857 -0.916 15 HA LEU 4 HA LEU 4 -0.598 -7.377 -0.737 16 HB2 LEU 4 2HB LEU 4 -0.487 -5.136 -2.709 17 HB3 LEU 4 3HB LEU 4 -1.129 -6.702 -3.199 18 HG LEU 4 HG LEU 4 -2.212 -5.182 -0.839 19 HD11 LEU 4 1HD1 LEU 4 -3.355 -5.135 -3.620 20 HD12 LEU 4 2HD1 LEU 4 -2.321 -3.858 -2.981 21 HD13 LEU 4 3HD1 LEU 4 -3.870 -4.205 -2.213 22 HD21 LEU 4 3HD2 LEU 4 -4.081 -6.803 -2.268 23 HD22 LEU 4 1HD2 LEU 4 -3.532 -6.947 -0.598 24 HD23 LEU 4 2HD2 LEU 4 -2.649 -7.761 -1.890 25 H GLN 5 H GLN 5 2.436 -6.256 -1.761 26 HA GLN 5 HA GLN 5 2.901 -8.129 -3.864 27 HB2 GLN 5 2HB GLN 5 4.261 -5.922 -2.731 28 HB3 GLN 5 3HB GLN 5 5.341 -7.304 -2.599 29 HG2 GLN 5 2HG GLN 5 5.857 -6.302 -4.648 30 HG3 GLN 5 3HG GLN 5 4.888 -7.718 -5.053 31 HE21 GLN 5 1HE2 GLN 5 5.379 -5.206 -6.518 32 HE22 GLN 5 2HE2 GLN 5 3.815 -4.554 -6.852 33 H ILE 6 H ILE 6 2.859 -8.348 -0.466 34 HA ILE 6 HA ILE 6 4.721 -10.532 -0.240 35 HB ILE 6 HB ILE 6 2.927 -9.074 1.632 36 HG12 ILE 6 2HG1 ILE 6 5.128 -9.358 3.004 37 HG13 ILE 6 3HG1 ILE 6 5.823 -9.851 1.464 38 HG21 ILE 6 1HG2 ILE 6 3.590 -10.855 3.376 39 HG22 ILE 6 2HG2 ILE 6 2.233 -11.187 2.302 40 HG23 ILE 6 3HG2 ILE 6 3.807 -11.914 1.983 41 HD11 ILE 6 3HD1 ILE 6 4.438 -7.504 0.909 42 HD12 ILE 6 1HD1 ILE 6 5.239 -7.218 2.454 43 HD13 ILE 6 2HD1 ILE 6 6.184 -7.710 1.049 44 HA PRO 7 HA PRO 7 0.658 -13.076 0.377 45 HB2 PRO 7 2HB PRO 7 -1.687 -11.835 -0.201 46 HB3 PRO 7 3HB PRO 7 -0.953 -11.801 1.407 47 HG2 PRO 7 2HG PRO 7 -0.880 -9.730 -0.754 48 HG3 PRO 7 3HG PRO 7 -1.124 -9.520 0.990 49 HD2 PRO 7 2HD PRO 7 1.259 -9.065 -0.213 50 HD3 PRO 7 3HD PRO 7 1.129 -9.670 1.451 51 H PHE 8 H PHE 8 1.176 -10.890 -2.237 52 HA PHE 8 HA PHE 8 -0.447 -12.126 -4.196 53 HB2 PHE 8 2HB PHE 8 0.353 -9.897 -4.588 54 HB3 PHE 8 3HB PHE 8 2.029 -10.411 -4.428 55 HD1 PHE 8 HD2 PHE 8 -0.793 -11.874 -6.366 56 HD2 PHE 8 HD1 PHE 8 3.044 -10.035 -6.463 57 HE1 PHE 8 HE2 PHE 8 -0.680 -12.246 -8.795 58 HE2 PHE 8 HE1 PHE 8 3.163 -10.403 -8.893 59 HZ PHE 8 HZ PHE 8 1.300 -11.511 -10.062 60 H ALA 9 H ALA 9 2.789 -12.748 -3.016 61 HA ALA 9 HA ALA 9 3.535 -14.536 -5.114 62 HB1 ALA 9 1HB ALA 9 5.159 -13.312 -3.692 63 HB2 ALA 9 2HB ALA 9 4.697 -14.346 -2.340 64 HB3 ALA 9 3HB ALA 9 5.457 -15.049 -3.768 65 H MET 10 H MET 10 2.040 -14.897 -1.948 66 HA MET 10 HA MET 10 2.146 -17.776 -2.019 67 HB2 MET 10 2HB MET 10 2.138 -16.259 0.066 68 HB3 MET 10 3HB MET 10 0.402 -16.147 -0.189 69 HG2 MET 10 2HG MET 10 0.866 -18.849 -0.320 70 HG3 MET 10 3HG MET 10 1.995 -18.309 0.920 71 HE1 MET 10 3HE MET 10 -0.152 -16.196 3.143 72 HE2 MET 10 1HE MET 10 0.626 -17.650 3.770 73 HE3 MET 10 2HE MET 10 1.447 -16.662 2.562 74 H GLN 11 H GLN 11 -0.149 -15.265 -2.826 75 HA GLN 11 HA GLN 11 -2.471 -16.846 -2.974 76 HB2 GLN 11 2HB GLN 11 -2.615 -14.431 -2.948 77 HB3 GLN 11 3HB GLN 11 -1.714 -14.324 -4.455 78 HG2 GLN 11 2HG GLN 11 -4.084 -15.983 -4.691 79 HG3 GLN 11 3HG GLN 11 -4.452 -14.336 -4.182 80 HE21 GLN 11 1HE2 GLN 11 -3.747 -16.352 -6.774 81 HE22 GLN 11 2HE2 GLN 11 -3.513 -15.141 -7.983 82 H MET 12 H MET 12 0.232 -16.475 -5.111 83 HA MET 12 HA MET 12 -1.151 -17.767 -7.325 84 HB2 MET 12 2HB MET 12 1.538 -16.481 -6.987 85 HB3 MET 12 3HB MET 12 1.232 -17.544 -8.354 86 HG2 MET 12 2HG MET 12 -0.870 -16.012 -8.671 87 HG3 MET 12 3HG MET 12 0.092 -14.869 -7.737 88 HE1 MET 12 3HE MET 12 -0.287 -15.544 -11.833 89 HE2 MET 12 1HE MET 12 0.837 -16.887 -11.624 90 HE3 MET 12 2HE MET 12 -0.623 -16.798 -10.639 91 H ALA 13 H ALA 13 1.167 -18.484 -4.824 92 HA ALA 13 HA ALA 13 2.361 -20.786 -5.798 93 HB1 ALA 13 1HB ALA 13 2.267 -19.434 -3.354 94 HB2 ALA 13 2HB ALA 13 1.762 -21.087 -3.000 95 HB3 ALA 13 3HB ALA 13 3.310 -20.788 -3.791 96 H TYR 14 H TYR 14 -0.780 -20.386 -4.233 97 HA TYR 14 HA TYR 14 -1.317 -23.244 -4.444 98 HB2 TYR 14 2HB TYR 14 -2.938 -22.947 -2.869 99 HB3 TYR 14 3HB TYR 14 -1.985 -21.513 -2.508 100 HD1 TYR 14 HD1 TYR 14 -2.678 -19.334 -3.753 101 HD2 TYR 14 HD2 TYR 14 -5.204 -22.732 -3.330 102 HE1 TYR 14 HE1 TYR 14 -4.645 -17.917 -4.171 103 HE2 TYR 14 HE2 TYR 14 -7.177 -21.324 -3.748 104 HH TYR 14 HH TYR 14 -6.866 -17.961 -4.704 105 H ARG 15 H ARG 15 -2.150 -20.228 -5.968 106 HA ARG 15 HA ARG 15 -4.492 -20.927 -7.297 107 HB2 ARG 15 2HB ARG 15 -3.605 -18.642 -7.244 108 HB3 ARG 15 3HB ARG 15 -2.257 -19.134 -8.260 109 HG2 ARG 15 2HG ARG 15 -3.843 -19.679 -10.061 110 HG3 ARG 15 3HG ARG 15 -5.164 -19.107 -9.041 111 HD2 ARG 15 2HD ARG 15 -2.947 -17.213 -9.319 112 HD3 ARG 15 3HD ARG 15 -3.778 -17.580 -10.831 113 HE ARG 15 HE ARG 15 -5.570 -16.968 -8.678 114 HH11 ARG 15 1HH1 ARG 15 -3.560 -15.616 -11.178 115 HH12 ARG 15 2HH1 ARG 15 -4.465 -14.143 -11.290 116 HH21 ARG 15 1HH2 ARG 15 -6.770 -15.033 -8.816 117 HH22 ARG 15 2HH2 ARG 15 -6.290 -13.812 -9.945 118 H PHE 16 H PHE 16 -1.263 -21.994 -7.801 119 HA PHE 16 HA PHE 16 -1.187 -22.644 -10.477 120 HB2 PHE 16 2HB PHE 16 -0.095 -24.243 -8.152 121 HB3 PHE 16 3HB PHE 16 0.370 -24.465 -9.836 122 HD1 PHE 16 HD2 PHE 16 0.163 -21.315 -10.274 123 HD2 PHE 16 HD1 PHE 16 2.260 -23.859 -7.582 124 HE1 PHE 16 HE2 PHE 16 1.908 -19.599 -10.017 125 HE2 PHE 16 HE1 PHE 16 4.008 -22.148 -7.320 126 HZ PHE 16 HZ PHE 16 3.834 -20.015 -8.539 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.179 -0.068 -1.164 2 HA2 GLY 1 2HA GLY 1 0.391 -2.184 -3.008 3 HA3 GLY 1 3HA GLY 1 1.672 -1.007 -3.258 4 H ALA 2 H ALA 2 3.309 -1.308 -1.158 5 HA ALA 2 HA ALA 2 4.755 -3.637 -1.786 6 HB1 ALA 2 1HB ALA 2 6.375 -2.828 -0.410 7 HB2 ALA 2 2HB ALA 2 5.438 -1.349 -0.627 8 HB3 ALA 2 3HB ALA 2 5.226 -2.321 0.830 9 H ALA 3 H ALA 3 2.264 -3.007 0.545 10 HA ALA 3 HA ALA 3 2.808 -5.270 2.214 11 HB1 ALA 3 1HB ALA 3 0.308 -4.747 2.875 12 HB2 ALA 3 2HB ALA 3 1.635 -3.707 3.395 13 HB3 ALA 3 3HB ALA 3 0.642 -3.245 2.013 14 H LEU 4 H LEU 4 1.063 -4.733 -0.727 15 HA LEU 4 HA LEU 4 -0.407 -7.233 -0.519 16 HB2 LEU 4 2HB LEU 4 -1.188 -4.988 -1.593 17 HB3 LEU 4 3HB LEU 4 -0.283 -5.560 -2.992 18 HG LEU 4 HG LEU 4 -1.720 -7.657 -2.871 19 HD11 LEU 4 1HD1 LEU 4 -2.638 -7.544 -0.705 20 HD12 LEU 4 2HD1 LEU 4 -3.972 -7.204 -1.807 21 HD13 LEU 4 3HD1 LEU 4 -3.189 -5.885 -0.938 22 HD21 LEU 4 3HD2 LEU 4 -3.584 -6.572 -4.047 23 HD22 LEU 4 1HD2 LEU 4 -2.019 -5.961 -4.582 24 HD23 LEU 4 2HD2 LEU 4 -3.011 -5.000 -3.486 25 H GLN 5 H GLN 5 2.598 -6.144 -1.658 26 HA GLN 5 HA GLN 5 2.943 -7.995 -3.803 27 HB2 GLN 5 2HB GLN 5 4.811 -6.254 -2.218 28 HB3 GLN 5 3HB GLN 5 5.428 -7.417 -3.385 29 HG2 GLN 5 2HG GLN 5 3.359 -5.394 -4.151 30 HG3 GLN 5 3HG GLN 5 5.076 -4.998 -4.141 31 HE21 GLN 5 1HE2 GLN 5 2.562 -6.178 -5.961 32 HE22 GLN 5 2HE2 GLN 5 3.468 -6.904 -7.240 33 H ILE 6 H ILE 6 3.044 -8.259 -0.409 34 HA ILE 6 HA ILE 6 4.879 -10.473 -0.291 35 HB ILE 6 HB ILE 6 3.189 -9.015 1.674 36 HG12 ILE 6 2HG1 ILE 6 5.944 -10.077 2.153 37 HG13 ILE 6 3HG1 ILE 6 5.735 -8.737 1.031 38 HG21 ILE 6 1HG2 ILE 6 2.493 -11.128 2.345 39 HG22 ILE 6 2HG2 ILE 6 4.042 -11.871 1.950 40 HG23 ILE 6 3HG2 ILE 6 3.900 -10.829 3.365 41 HD11 ILE 6 3HD1 ILE 6 4.838 -8.766 3.903 42 HD12 ILE 6 1HD1 ILE 6 6.290 -7.979 3.283 43 HD13 ILE 6 2HD1 ILE 6 4.696 -7.415 2.778 44 HA PRO 7 HA PRO 7 0.808 -12.965 0.467 45 HB2 PRO 7 2HB PRO 7 -1.540 -11.682 0.005 46 HB3 PRO 7 3HB PRO 7 -0.738 -11.680 1.580 47 HG2 PRO 7 2HG PRO 7 -0.726 -9.582 -0.555 48 HG3 PRO 7 3HG PRO 7 -0.892 -9.391 1.200 49 HD2 PRO 7 2HD PRO 7 1.444 -8.955 -0.097 50 HD3 PRO 7 3HD PRO 7 1.377 -9.581 1.563 51 H PHE 8 H PHE 8 1.252 -10.754 -2.140 52 HA PHE 8 HA PHE 8 -0.471 -11.958 -4.040 53 HB2 PHE 8 2HB PHE 8 0.307 -9.720 -4.433 54 HB3 PHE 8 3HB PHE 8 1.989 -10.234 -4.361 55 HD1 PHE 8 HD2 PHE 8 -0.917 -11.679 -6.184 56 HD2 PHE 8 HD1 PHE 8 2.902 -9.816 -6.436 57 HE1 PHE 8 HE2 PHE 8 -0.919 -12.013 -8.622 58 HE2 PHE 8 HE1 PHE 8 2.905 -10.146 -8.875 59 HZ PHE 8 HZ PHE 8 0.994 -11.247 -9.970 60 H ALA 9 H ALA 9 2.786 -12.624 -2.976 61 HA ALA 9 HA ALA 9 3.437 -14.380 -5.146 62 HB1 ALA 9 1HB ALA 9 5.342 -13.510 -4.209 63 HB2 ALA 9 2HB ALA 9 4.722 -13.634 -2.563 64 HB3 ALA 9 3HB ALA 9 5.270 -15.081 -3.410 65 H MET 10 H MET 10 2.023 -14.730 -1.961 66 HA MET 10 HA MET 10 2.169 -17.620 -2.028 67 HB2 MET 10 2HB MET 10 1.671 -15.600 -0.042 68 HB3 MET 10 3HB MET 10 0.380 -16.793 -0.010 69 HG2 MET 10 2HG MET 10 3.268 -17.591 0.017 70 HG3 MET 10 3HG MET 10 2.397 -17.181 1.493 71 HE1 MET 10 3HE MET 10 0.906 -19.024 2.816 72 HE2 MET 10 1HE MET 10 -0.145 -18.147 1.704 73 HE3 MET 10 2HE MET 10 -0.263 -19.902 1.830 74 H GLN 11 H GLN 11 -0.145 -15.103 -2.723 75 HA GLN 11 HA GLN 11 -2.484 -16.674 -2.726 76 HB2 GLN 11 2HB GLN 11 -2.646 -14.272 -2.683 77 HB3 GLN 11 3HB GLN 11 -1.791 -14.140 -4.214 78 HG2 GLN 11 2HG GLN 11 -4.159 -15.801 -4.416 79 HG3 GLN 11 3HG GLN 11 -4.523 -14.171 -3.853 80 HE21 GLN 11 1HE2 GLN 11 -5.028 -15.605 -6.424 81 HE22 GLN 11 2HE2 GLN 11 -4.395 -14.557 -7.644 82 H MET 12 H MET 12 0.092 -16.304 -5.015 83 HA MET 12 HA MET 12 -1.421 -17.586 -7.149 84 HB2 MET 12 2HB MET 12 1.037 -16.007 -6.957 85 HB3 MET 12 3HB MET 12 1.177 -17.386 -8.040 86 HG2 MET 12 2HG MET 12 -0.635 -16.621 -9.376 87 HG3 MET 12 3HG MET 12 -1.043 -15.369 -8.205 88 HE1 MET 12 3HE MET 12 1.033 -14.504 -11.871 89 HE2 MET 12 1HE MET 12 0.442 -16.108 -11.437 90 HE3 MET 12 2HE MET 12 -0.643 -14.720 -11.363 91 H ALA 13 H ALA 13 1.036 -18.317 -4.788 92 HA ALA 13 HA ALA 13 2.165 -20.618 -5.837 93 HB1 ALA 13 1HB ALA 13 1.989 -21.169 -3.145 94 HB2 ALA 13 2HB ALA 13 3.275 -20.256 -3.936 95 HB3 ALA 13 3HB ALA 13 1.913 -19.407 -3.205 96 H TYR 14 H TYR 14 -0.878 -20.215 -4.090 97 HA TYR 14 HA TYR 14 -1.435 -23.071 -4.278 98 HB2 TYR 14 2HB TYR 14 -2.960 -22.775 -2.610 99 HB3 TYR 14 3HB TYR 14 -1.983 -21.343 -2.301 100 HD1 TYR 14 HD1 TYR 14 -2.742 -19.160 -3.498 101 HD2 TYR 14 HD2 TYR 14 -5.249 -22.552 -2.937 102 HE1 TYR 14 HE1 TYR 14 -4.726 -17.736 -3.797 103 HE2 TYR 14 HE2 TYR 14 -7.239 -21.138 -3.236 104 HH TYR 14 HH TYR 14 -7.791 -18.651 -2.938 105 H ARG 15 H ARG 15 -2.347 -20.049 -5.743 106 HA ARG 15 HA ARG 15 -4.764 -20.738 -6.935 107 HB2 ARG 15 2HB ARG 15 -3.870 -18.455 -6.927 108 HB3 ARG 15 3HB ARG 15 -2.584 -18.947 -8.021 109 HG2 ARG 15 2HG ARG 15 -4.306 -19.513 -9.712 110 HG3 ARG 15 3HG ARG 15 -5.532 -18.866 -8.619 111 HD2 ARG 15 2HD ARG 15 -5.172 -16.938 -9.711 112 HD3 ARG 15 3HD ARG 15 -3.746 -16.822 -8.681 113 HE ARG 15 HE ARG 15 -2.934 -18.262 -10.867 114 HH11 ARG 15 1HH1 ARG 15 -4.345 -15.125 -10.327 115 HH12 ARG 15 2HH1 ARG 15 -3.589 -14.403 -11.709 116 HH21 ARG 15 1HH2 ARG 15 -1.933 -17.322 -12.689 117 HH22 ARG 15 2HH2 ARG 15 -2.218 -15.654 -13.052 118 H PHE 16 H PHE 16 -1.573 -21.812 -7.628 119 HA PHE 16 HA PHE 16 -1.654 -22.454 -10.306 120 HB2 PHE 16 2HB PHE 16 -0.433 -24.062 -8.053 121 HB3 PHE 16 3HB PHE 16 -0.068 -24.281 -9.761 122 HD1 PHE 16 HD2 PHE 16 -0.291 -21.129 -10.179 123 HD2 PHE 16 HD1 PHE 16 1.952 -23.687 -7.620 124 HE1 PHE 16 HE2 PHE 16 1.471 -19.419 -10.020 125 HE2 PHE 16 HE1 PHE 16 3.717 -21.980 -7.456 126 HZ PHE 16 HZ PHE 16 3.478 -19.844 -8.658 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.634 0.316 -2.883 2 HA2 GLY 1 2HA GLY 1 0.424 -1.554 -2.336 3 HA3 GLY 1 3HA GLY 1 1.192 -1.321 -3.900 4 H ALA 2 H ALA 2 2.744 -1.795 -0.755 5 HA ALA 2 HA ALA 2 4.165 -4.094 -1.887 6 HB1 ALA 2 1HB ALA 2 4.740 -2.513 0.616 7 HB2 ALA 2 2HB ALA 2 5.741 -3.805 -0.048 8 HB3 ALA 2 3HB ALA 2 5.532 -2.301 -0.945 9 H ALA 3 H ALA 3 1.821 -3.238 0.512 10 HA ALA 3 HA ALA 3 2.053 -5.501 2.188 11 HB1 ALA 3 1HB ALA 3 -0.124 -4.882 3.044 12 HB2 ALA 3 2HB ALA 3 0.868 -3.440 2.830 13 HB3 ALA 3 3HB ALA 3 -0.395 -3.822 1.661 14 H LEU 4 H LEU 4 0.582 -5.003 -0.909 15 HA LEU 4 HA LEU 4 -0.976 -7.453 -0.756 16 HB2 LEU 4 2HB LEU 4 -1.735 -6.870 -2.997 17 HB3 LEU 4 3HB LEU 4 -1.948 -5.531 -1.872 18 HG LEU 4 HG LEU 4 0.575 -5.344 -3.283 19 HD11 LEU 4 1HD1 LEU 4 -0.099 -6.098 -5.280 20 HD12 LEU 4 2HD1 LEU 4 -1.005 -4.588 -5.370 21 HD13 LEU 4 3HD1 LEU 4 -1.804 -6.064 -4.829 22 HD21 LEU 4 3HD2 LEU 4 -1.859 -3.606 -2.942 23 HD22 LEU 4 1HD2 LEU 4 -0.437 -3.107 -3.859 24 HD23 LEU 4 2HD2 LEU 4 -0.295 -3.463 -2.138 25 H GLN 5 H GLN 5 2.144 -6.485 -1.669 26 HA GLN 5 HA GLN 5 2.609 -8.409 -3.725 27 HB2 GLN 5 2HB GLN 5 3.924 -6.205 -3.011 28 HB3 GLN 5 3HB GLN 5 4.862 -7.367 -2.081 29 HG2 GLN 5 2HG GLN 5 5.278 -8.640 -4.150 30 HG3 GLN 5 3HG GLN 5 4.411 -7.401 -5.056 31 HE21 GLN 5 1HE2 GLN 5 7.378 -8.456 -4.351 32 HE22 GLN 5 2HE2 GLN 5 8.273 -6.982 -4.453 33 H ILE 6 H ILE 6 2.419 -8.574 -0.330 34 HA ILE 6 HA ILE 6 4.168 -10.835 0.002 35 HB ILE 6 HB ILE 6 2.368 -9.271 1.779 36 HG12 ILE 6 2HG1 ILE 6 4.605 -9.871 3.191 37 HG13 ILE 6 3HG1 ILE 6 5.228 -9.991 1.549 38 HG21 ILE 6 1HG2 ILE 6 3.104 -12.142 2.204 39 HG22 ILE 6 2HG2 ILE 6 2.879 -11.053 3.572 40 HG23 ILE 6 3HG2 ILE 6 1.552 -11.341 2.447 41 HD11 ILE 6 3HD1 ILE 6 3.615 -7.606 2.033 42 HD12 ILE 6 1HD1 ILE 6 5.076 -7.707 3.015 43 HD13 ILE 6 2HD1 ILE 6 5.189 -7.781 1.256 44 HA PRO 7 HA PRO 7 -0.028 -13.185 0.485 45 HB2 PRO 7 2HB PRO 7 -2.288 -11.849 -0.206 46 HB3 PRO 7 3HB PRO 7 -1.619 -11.823 1.430 47 HG2 PRO 7 2HG PRO 7 -1.365 -9.790 -0.753 48 HG3 PRO 7 3HG PRO 7 -1.670 -9.543 0.977 49 HD2 PRO 7 2HD PRO 7 0.778 -9.214 -0.133 50 HD3 PRO 7 3HD PRO 7 0.554 -9.788 1.532 51 H PHE 8 H PHE 8 0.694 -11.064 -2.135 52 HA PHE 8 HA PHE 8 -0.890 -12.345 -4.126 53 HB2 PHE 8 2HB PHE 8 -0.165 -10.081 -4.503 54 HB3 PHE 8 3HB PHE 8 1.525 -10.539 -4.322 55 HD1 PHE 8 HD2 PHE 8 -1.217 -12.114 -6.285 56 HD2 PHE 8 HD1 PHE 8 2.543 -10.121 -6.349 57 HE1 PHE 8 HE2 PHE 8 -1.064 -12.488 -8.712 58 HE2 PHE 8 HE1 PHE 8 2.702 -10.491 -8.776 59 HZ PHE 8 HZ PHE 8 0.898 -11.677 -9.961 60 H ALA 9 H ALA 9 2.349 -12.807 -2.875 61 HA ALA 9 HA ALA 9 3.130 -14.657 -4.935 62 HB1 ALA 9 1HB ALA 9 4.403 -14.003 -2.281 63 HB2 ALA 9 2HB ALA 9 5.123 -15.018 -3.532 64 HB3 ALA 9 3HB ALA 9 4.820 -13.310 -3.848 65 H MET 10 H MET 10 1.492 -14.834 -1.900 66 HA MET 10 HA MET 10 1.912 -17.707 -1.658 67 HB2 MET 10 2HB MET 10 1.571 -15.714 0.207 68 HB3 MET 10 3HB MET 10 -0.019 -16.465 0.162 69 HG2 MET 10 2HG MET 10 1.100 -18.667 0.522 70 HG3 MET 10 3HG MET 10 2.610 -17.791 0.765 71 HE1 MET 10 3HE MET 10 2.997 -16.041 2.690 72 HE2 MET 10 1HE MET 10 2.556 -16.654 4.283 73 HE3 MET 10 2HE MET 10 3.411 -17.694 3.145 74 H GLN 11 H GLN 11 -0.540 -15.415 -2.614 75 HA GLN 11 HA GLN 11 -2.685 -17.318 -2.647 76 HB2 GLN 11 2HB GLN 11 -4.024 -15.575 -3.535 77 HB3 GLN 11 3HB GLN 11 -2.937 -14.813 -2.380 78 HG2 GLN 11 2HG GLN 11 -2.621 -13.341 -4.036 79 HG3 GLN 11 3HG GLN 11 -1.492 -14.554 -4.636 80 HE21 GLN 11 1HE2 GLN 11 -3.108 -12.521 -6.038 81 HE22 GLN 11 2HE2 GLN 11 -4.023 -13.393 -7.215 82 H MET 12 H MET 12 -0.245 -16.254 -4.879 83 HA MET 12 HA MET 12 -1.557 -17.537 -7.141 84 HB2 MET 12 2HB MET 12 0.026 -15.331 -6.987 85 HB3 MET 12 3HB MET 12 1.203 -16.549 -7.459 86 HG2 MET 12 2HG MET 12 -0.333 -17.167 -9.339 87 HG3 MET 12 3HG MET 12 -1.298 -15.754 -8.919 88 HE1 MET 12 3HE MET 12 -1.190 -14.902 -11.210 89 HE2 MET 12 1HE MET 12 0.221 -14.226 -12.025 90 HE3 MET 12 2HE MET 12 -0.019 -15.973 -11.981 91 H ALA 13 H ALA 13 1.042 -18.081 -4.883 92 HA ALA 13 HA ALA 13 2.532 -20.016 -6.192 93 HB1 ALA 13 1HB ALA 13 2.030 -19.307 -3.370 94 HB2 ALA 13 2HB ALA 13 2.684 -20.918 -3.670 95 HB3 ALA 13 3HB ALA 13 3.551 -19.493 -4.244 96 H TYR 14 H TYR 14 -0.491 -20.350 -4.398 97 HA TYR 14 HA TYR 14 -0.544 -23.221 -4.901 98 HB2 TYR 14 2HB TYR 14 -2.057 -23.383 -3.204 99 HB3 TYR 14 3HB TYR 14 -1.339 -21.844 -2.741 100 HD1 TYR 14 HD1 TYR 14 -2.498 -19.712 -3.684 101 HD2 TYR 14 HD2 TYR 14 -4.356 -23.535 -3.495 102 HE1 TYR 14 HE1 TYR 14 -4.707 -18.638 -3.814 103 HE2 TYR 14 HE2 TYR 14 -6.570 -22.472 -3.626 104 HH TYR 14 HH TYR 14 -7.244 -19.539 -2.939 105 H ARG 15 H ARG 15 -2.004 -20.266 -6.016 106 HA ARG 15 HA ARG 15 -4.292 -21.238 -7.268 107 HB2 ARG 15 2HB ARG 15 -3.816 -18.848 -7.009 108 HB3 ARG 15 3HB ARG 15 -2.486 -18.980 -8.151 109 HG2 ARG 15 2HG ARG 15 -4.107 -19.645 -9.898 110 HG3 ARG 15 3HG ARG 15 -5.411 -19.371 -8.740 111 HD2 ARG 15 2HD ARG 15 -3.492 -17.157 -9.059 112 HD3 ARG 15 3HD ARG 15 -4.499 -17.504 -10.465 113 HE ARG 15 HE ARG 15 -6.093 -17.386 -8.138 114 HH11 ARG 15 1HH1 ARG 15 -4.304 -15.347 -10.320 115 HH12 ARG 15 2HH1 ARG 15 -5.299 -13.956 -10.044 116 HH21 ARG 15 1HH2 ARG 15 -7.410 -15.561 -7.766 117 HH22 ARG 15 2HH2 ARG 15 -7.065 -14.078 -8.590 118 H PHE 16 H PHE 16 -0.979 -21.649 -8.088 119 HA PHE 16 HA PHE 16 -1.009 -21.996 -10.821 120 HB2 PHE 16 2HB PHE 16 0.526 -23.601 -8.766 121 HB3 PHE 16 3HB PHE 16 0.885 -23.565 -10.490 122 HD1 PHE 16 HD1 PHE 16 0.105 -20.476 -10.556 123 HD2 PHE 16 HD2 PHE 16 2.819 -22.859 -8.304 124 HE1 PHE 16 HE1 PHE 16 1.544 -18.510 -10.215 125 HE2 PHE 16 HE2 PHE 16 4.262 -20.897 -7.959 126 HZ PHE 16 HZ PHE 16 3.625 -18.718 -8.914 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.296 -0.664 -4.168 2 HA2 GLY 1 2HA GLY 1 0.558 -2.286 -2.562 3 HA3 GLY 1 3HA GLY 1 1.251 -2.723 -4.116 4 H ALA 2 H ALA 2 3.294 -1.677 -1.506 5 HA ALA 2 HA ALA 2 4.910 -3.976 -1.615 6 HB1 ALA 2 1HB ALA 2 4.782 -2.132 0.751 7 HB2 ALA 2 2HB ALA 2 6.168 -3.022 0.120 8 HB3 ALA 2 3HB ALA 2 5.520 -1.648 -0.775 9 H ALA 3 H ALA 3 2.038 -3.249 0.175 10 HA ALA 3 HA ALA 3 2.426 -5.392 2.086 11 HB1 ALA 3 1HB ALA 3 0.400 -4.686 3.087 12 HB2 ALA 3 2HB ALA 3 1.262 -3.220 2.617 13 HB3 ALA 3 3HB ALA 3 -0.088 -3.801 1.641 14 H LEU 4 H LEU 4 0.898 -4.900 -0.981 15 HA LEU 4 HA LEU 4 -0.712 -7.311 -0.765 16 HB2 LEU 4 2HB LEU 4 -0.424 -5.121 -2.769 17 HB3 LEU 4 3HB LEU 4 -1.118 -6.661 -3.272 18 HG LEU 4 HG LEU 4 -2.204 -4.959 -1.031 19 HD11 LEU 4 1HD1 LEU 4 -3.052 -3.641 -2.603 20 HD12 LEU 4 2HD1 LEU 4 -4.014 -5.016 -3.146 21 HD13 LEU 4 3HD1 LEU 4 -2.451 -4.685 -3.891 22 HD21 LEU 4 3HD2 LEU 4 -3.322 -7.356 -2.481 23 HD22 LEU 4 1HD2 LEU 4 -4.173 -6.401 -1.267 24 HD23 LEU 4 2HD2 LEU 4 -2.737 -7.320 -0.817 25 H GLN 5 H GLN 5 2.411 -6.427 -1.752 26 HA GLN 5 HA GLN 5 2.790 -8.386 -3.792 27 HB2 GLN 5 2HB GLN 5 4.213 -6.206 -2.886 28 HB3 GLN 5 3HB GLN 5 5.195 -7.561 -2.346 29 HG2 GLN 5 2HG GLN 5 4.420 -8.082 -5.014 30 HG3 GLN 5 3HG GLN 5 4.998 -6.418 -4.937 31 HE21 GLN 5 1HE2 GLN 5 6.159 -8.839 -6.163 32 HE22 GLN 5 2HE2 GLN 5 7.743 -8.981 -5.489 33 H ILE 6 H ILE 6 2.665 -8.505 -0.391 34 HA ILE 6 HA ILE 6 4.369 -10.801 -0.065 35 HB ILE 6 HB ILE 6 2.641 -9.174 1.727 36 HG12 ILE 6 2HG1 ILE 6 5.091 -10.155 2.859 37 HG13 ILE 6 3HG1 ILE 6 5.404 -9.547 1.237 38 HG21 ILE 6 1HG2 ILE 6 1.792 -11.216 2.438 39 HG22 ILE 6 2HG2 ILE 6 3.320 -12.055 2.174 40 HG23 ILE 6 3HG2 ILE 6 3.147 -10.944 3.533 41 HD11 ILE 6 3HD1 ILE 6 4.577 -7.399 1.797 42 HD12 ILE 6 1HD1 ILE 6 3.938 -7.976 3.336 43 HD13 ILE 6 2HD1 ILE 6 5.681 -7.886 3.082 44 HA PRO 7 HA PRO 7 0.131 -13.047 0.532 45 HB2 PRO 7 2HB PRO 7 -2.112 -11.669 -0.131 46 HB3 PRO 7 3HB PRO 7 -1.410 -11.638 1.490 47 HG2 PRO 7 2HG PRO 7 -1.153 -9.639 -0.723 48 HG3 PRO 7 3HG PRO 7 -1.417 -9.363 1.008 49 HD2 PRO 7 2HD PRO 7 1.015 -9.104 -0.154 50 HD3 PRO 7 3HD PRO 7 0.811 -9.652 1.523 51 H PHE 8 H PHE 8 0.864 -10.987 -2.128 52 HA PHE 8 HA PHE 8 -0.797 -12.236 -4.075 53 HB2 PHE 8 2HB PHE 8 0.002 -10.014 -4.510 54 HB3 PHE 8 3HB PHE 8 1.678 -10.521 -4.324 55 HD1 PHE 8 HD2 PHE 8 -1.108 -12.067 -6.247 56 HD2 PHE 8 HD1 PHE 8 2.693 -10.154 -6.365 57 HE1 PHE 8 HE2 PHE 8 -0.972 -12.493 -8.666 58 HE2 PHE 8 HE1 PHE 8 2.834 -10.576 -8.785 59 HZ PHE 8 HZ PHE 8 1.000 -11.748 -9.938 60 H ALA 9 H ALA 9 2.437 -12.815 -2.861 61 HA ALA 9 HA ALA 9 3.116 -14.719 -4.909 62 HB1 ALA 9 1HB ALA 9 5.093 -15.169 -3.469 63 HB2 ALA 9 2HB ALA 9 4.895 -13.469 -3.898 64 HB3 ALA 9 3HB ALA 9 4.439 -14.032 -2.290 65 H MET 10 H MET 10 1.502 -14.794 -1.858 66 HA MET 10 HA MET 10 1.807 -17.680 -1.587 67 HB2 MET 10 2HB MET 10 0.335 -15.686 0.145 68 HB3 MET 10 3HB MET 10 0.552 -17.391 0.517 69 HG2 MET 10 2HG MET 10 3.083 -16.838 0.285 70 HG3 MET 10 3HG MET 10 2.548 -15.179 0.542 71 HE1 MET 10 3HE MET 10 4.548 -16.808 1.929 72 HE2 MET 10 1HE MET 10 4.355 -15.873 3.412 73 HE3 MET 10 2HE MET 10 4.134 -17.623 3.438 74 H GLN 11 H GLN 11 -0.559 -15.297 -2.539 75 HA GLN 11 HA GLN 11 -2.783 -17.107 -2.525 76 HB2 GLN 11 2HB GLN 11 -4.056 -15.319 -3.419 77 HB3 GLN 11 3HB GLN 11 -2.924 -14.590 -2.288 78 HG2 GLN 11 2HG GLN 11 -2.569 -13.153 -3.967 79 HG3 GLN 11 3HG GLN 11 -1.496 -14.419 -4.561 80 HE21 GLN 11 1HE2 GLN 11 -3.020 -12.349 -5.990 81 HE22 GLN 11 2HE2 GLN 11 -3.991 -13.197 -7.140 82 H MET 12 H MET 12 -0.324 -16.179 -4.796 83 HA MET 12 HA MET 12 -1.716 -17.429 -7.028 84 HB2 MET 12 2HB MET 12 -0.030 -15.295 -6.914 85 HB3 MET 12 3HB MET 12 1.080 -16.572 -7.393 86 HG2 MET 12 2HG MET 12 -0.631 -17.130 -9.205 87 HG3 MET 12 3HG MET 12 -1.343 -15.562 -8.832 88 HE1 MET 12 3HE MET 12 0.045 -13.651 -11.394 89 HE2 MET 12 1HE MET 12 -0.242 -15.270 -12.034 90 HE3 MET 12 2HE MET 12 -1.301 -14.615 -10.785 91 H ALA 13 H ALA 13 0.885 -18.058 -4.794 92 HA ALA 13 HA ALA 13 2.272 -20.074 -6.093 93 HB1 ALA 13 1HB ALA 13 1.888 -19.237 -3.310 94 HB2 ALA 13 2HB ALA 13 2.333 -20.932 -3.514 95 HB3 ALA 13 3HB ALA 13 3.364 -19.664 -4.177 96 H TYR 14 H TYR 14 -0.742 -20.252 -4.262 97 HA TYR 14 HA TYR 14 -0.926 -23.124 -4.727 98 HB2 TYR 14 2HB TYR 14 -2.425 -23.198 -3.012 99 HB3 TYR 14 3HB TYR 14 -1.637 -21.686 -2.577 100 HD1 TYR 14 HD1 TYR 14 -2.712 -19.518 -3.535 101 HD2 TYR 14 HD2 TYR 14 -4.732 -23.253 -3.277 102 HE1 TYR 14 HE1 TYR 14 -4.874 -18.350 -3.656 103 HE2 TYR 14 HE2 TYR 14 -6.899 -22.097 -3.398 104 HH TYR 14 HH TYR 14 -7.930 -20.147 -3.726 105 H ARG 15 H ARG 15 -2.269 -20.122 -5.864 106 HA ARG 15 HA ARG 15 -4.611 -21.007 -7.078 107 HB2 ARG 15 2HB ARG 15 -4.028 -18.638 -6.856 108 HB3 ARG 15 3HB ARG 15 -2.717 -18.843 -8.010 109 HG2 ARG 15 2HG ARG 15 -4.418 -19.496 -9.714 110 HG3 ARG 15 3HG ARG 15 -5.668 -19.061 -8.546 111 HD2 ARG 15 2HD ARG 15 -5.542 -17.019 -9.455 112 HD3 ARG 15 3HD ARG 15 -4.060 -16.853 -8.514 113 HE ARG 15 HE ARG 15 -3.226 -18.015 -10.818 114 HH11 ARG 15 1HH1 ARG 15 -5.089 -15.167 -10.086 115 HH12 ARG 15 2HH1 ARG 15 -4.555 -14.298 -11.486 116 HH21 ARG 15 1HH2 ARG 15 -2.515 -16.881 -12.666 117 HH22 ARG 15 2HH2 ARG 15 -3.091 -15.275 -12.954 118 H PHE 16 H PHE 16 -1.328 -21.573 -7.931 119 HA PHE 16 HA PHE 16 -1.406 -21.954 -10.658 120 HB2 PHE 16 2HB PHE 16 0.083 -23.598 -8.600 121 HB3 PHE 16 3HB PHE 16 0.422 -23.598 -10.328 122 HD1 PHE 16 HD1 PHE 16 -0.226 -20.479 -10.422 123 HD2 PHE 16 HD2 PHE 16 2.412 -22.950 -8.175 124 HE1 PHE 16 HE1 PHE 16 1.300 -18.572 -10.122 125 HE2 PHE 16 HE2 PHE 16 3.941 -21.048 -7.871 126 HZ PHE 16 HZ PHE 16 3.386 -18.854 -8.844 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.901 1.565 -0.688 2 HA2 GLY 1 2HA GLY 1 1.917 0.227 1.021 3 HA3 GLY 1 3HA GLY 1 1.604 0.914 -0.566 4 H ALA 2 H ALA 2 4.105 -1.353 0.552 5 HA ALA 2 HA ALA 2 3.315 -3.159 -1.623 6 HB1 ALA 2 1HB ALA 2 5.502 -4.098 -1.509 7 HB2 ALA 2 2HB ALA 2 5.677 -2.342 -1.492 8 HB3 ALA 2 3HB ALA 2 5.846 -3.259 0.005 9 H ALA 3 H ALA 3 1.744 -3.048 0.757 10 HA ALA 3 HA ALA 3 2.452 -5.288 2.422 11 HB1 ALA 3 1HB ALA 3 0.548 -3.133 2.501 12 HB2 ALA 3 2HB ALA 3 -0.239 -4.671 2.858 13 HB3 ALA 3 3HB ALA 3 1.149 -4.148 3.813 14 H LEU 4 H LEU 4 0.582 -4.765 -0.445 15 HA LEU 4 HA LEU 4 -0.800 -7.313 -0.220 16 HB2 LEU 4 2HB LEU 4 -1.869 -6.694 -2.314 17 HB3 LEU 4 3HB LEU 4 -2.003 -5.404 -1.121 18 HG LEU 4 HG LEU 4 0.262 -5.179 -2.997 19 HD11 LEU 4 1HD1 LEU 4 -2.529 -4.611 -3.966 20 HD12 LEU 4 2HD1 LEU 4 -1.629 -6.065 -4.395 21 HD13 LEU 4 3HD1 LEU 4 -1.018 -4.479 -4.866 22 HD21 LEU 4 3HD2 LEU 4 -1.411 -2.900 -2.895 23 HD22 LEU 4 1HD2 LEU 4 0.176 -3.128 -2.160 24 HD23 LEU 4 2HD2 LEU 4 -1.281 -3.539 -1.256 25 H GLN 5 H GLN 5 2.123 -6.112 -1.454 26 HA GLN 5 HA GLN 5 2.445 -7.922 -3.638 27 HB2 GLN 5 2HB GLN 5 4.046 -5.870 -2.291 28 HB3 GLN 5 3HB GLN 5 4.996 -7.226 -2.885 29 HG2 GLN 5 2HG GLN 5 3.014 -6.090 -4.752 30 HG3 GLN 5 3HG GLN 5 4.406 -5.082 -4.362 31 HE21 GLN 5 1HE2 GLN 5 3.371 -6.928 -6.680 32 HE22 GLN 5 2HE2 GLN 5 4.821 -7.717 -7.189 33 H ILE 6 H ILE 6 2.683 -8.230 -0.255 34 HA ILE 6 HA ILE 6 4.592 -10.384 -0.240 35 HB ILE 6 HB ILE 6 2.932 -9.009 1.809 36 HG12 ILE 6 2HG1 ILE 6 5.399 -9.592 2.870 37 HG13 ILE 6 3HG1 ILE 6 5.760 -9.452 1.153 38 HG21 ILE 6 1HG2 ILE 6 2.329 -11.153 2.474 39 HG22 ILE 6 2HG2 ILE 6 3.885 -11.840 2.010 40 HG23 ILE 6 3HG2 ILE 6 3.764 -10.823 3.445 41 HD11 ILE 6 3HD1 ILE 6 5.146 -7.227 1.077 42 HD12 ILE 6 1HD1 ILE 6 4.165 -7.342 2.538 43 HD13 ILE 6 2HD1 ILE 6 5.925 -7.366 2.653 44 HA PRO 7 HA PRO 7 0.634 -13.017 0.633 45 HB2 PRO 7 2HB PRO 7 -1.770 -11.805 0.279 46 HB3 PRO 7 3HB PRO 7 -0.909 -11.799 1.823 47 HG2 PRO 7 2HG PRO 7 -1.045 -9.671 -0.279 48 HG3 PRO 7 3HG PRO 7 -1.150 -9.511 1.484 49 HD2 PRO 7 2HD PRO 7 1.120 -8.981 0.106 50 HD3 PRO 7 3HD PRO 7 1.135 -9.632 1.757 51 H PHE 8 H PHE 8 0.905 -10.756 -1.955 52 HA PHE 8 HA PHE 8 -0.845 -12.009 -3.805 53 HB2 PHE 8 2HB PHE 8 -0.196 -9.724 -4.180 54 HB3 PHE 8 3HB PHE 8 1.511 -10.158 -4.199 55 HD1 PHE 8 HD2 PHE 8 -1.415 -11.697 -5.912 56 HD2 PHE 8 HD1 PHE 8 2.306 -9.668 -6.306 57 HE1 PHE 8 HE2 PHE 8 -1.520 -11.985 -8.353 58 HE2 PHE 8 HE1 PHE 8 2.206 -9.952 -8.748 59 HZ PHE 8 HZ PHE 8 0.292 -11.113 -9.775 60 H ALA 9 H ALA 9 2.513 -12.479 -2.932 61 HA ALA 9 HA ALA 9 3.191 -14.141 -5.142 62 HB1 ALA 9 1HB ALA 9 4.460 -13.367 -2.583 63 HB2 ALA 9 2HB ALA 9 5.019 -14.860 -3.338 64 HB3 ALA 9 3HB ALA 9 5.103 -13.337 -4.225 65 H MET 10 H MET 10 1.867 -14.718 -1.941 66 HA MET 10 HA MET 10 2.108 -17.589 -2.174 67 HB2 MET 10 2HB MET 10 1.235 -15.670 -0.098 68 HB3 MET 10 3HB MET 10 0.456 -17.246 -0.063 69 HG2 MET 10 2HG MET 10 3.288 -17.551 -0.398 70 HG3 MET 10 3HG MET 10 2.941 -16.535 1.000 71 HE1 MET 10 3HE MET 10 3.133 -19.902 -0.531 72 HE2 MET 10 1HE MET 10 2.216 -20.997 0.504 73 HE3 MET 10 2HE MET 10 1.371 -19.934 -0.622 74 H GLN 11 H GLN 11 -0.377 -15.135 -2.550 75 HA GLN 11 HA GLN 11 -2.637 -16.764 -2.630 76 HB2 GLN 11 2HB GLN 11 -2.765 -14.325 -2.542 77 HB3 GLN 11 3HB GLN 11 -2.086 -14.217 -4.161 78 HG2 GLN 11 2HG GLN 11 -4.370 -15.919 -4.232 79 HG3 GLN 11 3HG GLN 11 -4.792 -14.420 -3.405 80 HE21 GLN 11 1HE2 GLN 11 -4.188 -15.921 -6.384 81 HE22 GLN 11 2HE2 GLN 11 -4.302 -14.519 -7.388 82 H MET 12 H MET 12 -0.123 -16.272 -4.967 83 HA MET 12 HA MET 12 -1.647 -17.553 -7.093 84 HB2 MET 12 2HB MET 12 0.361 -15.642 -7.078 85 HB3 MET 12 3HB MET 12 1.185 -17.097 -7.622 86 HG2 MET 12 2HG MET 12 0.108 -17.136 -9.594 87 HG3 MET 12 3HG MET 12 -1.405 -16.557 -8.900 88 HE1 MET 12 3HE MET 12 0.973 -16.170 -11.230 89 HE2 MET 12 1HE MET 12 0.923 -14.488 -11.757 90 HE3 MET 12 2HE MET 12 2.139 -15.010 -10.591 91 H ALA 13 H ALA 13 0.900 -18.258 -4.815 92 HA ALA 13 HA ALA 13 2.072 -20.499 -5.926 93 HB1 ALA 13 1HB ALA 13 3.079 -19.739 -3.983 94 HB2 ALA 13 2HB ALA 13 1.555 -19.678 -3.095 95 HB3 ALA 13 3HB ALA 13 2.304 -21.234 -3.456 96 H TYR 14 H TYR 14 -0.959 -20.245 -4.128 97 HA TYR 14 HA TYR 14 -1.430 -23.109 -4.399 98 HB2 TYR 14 2HB TYR 14 -2.940 -22.912 -2.703 99 HB3 TYR 14 3HB TYR 14 -2.006 -21.460 -2.363 100 HD1 TYR 14 HD1 TYR 14 -2.851 -19.264 -3.465 101 HD2 TYR 14 HD2 TYR 14 -5.239 -22.757 -3.013 102 HE1 TYR 14 HE1 TYR 14 -4.883 -17.898 -3.696 103 HE2 TYR 14 HE2 TYR 14 -7.278 -21.400 -3.244 104 HH TYR 14 HH TYR 14 -7.136 -17.887 -3.423 105 H ARG 15 H ARG 15 -2.477 -20.068 -5.741 106 HA ARG 15 HA ARG 15 -4.879 -20.804 -6.929 107 HB2 ARG 15 2HB ARG 15 -4.029 -18.491 -6.845 108 HB3 ARG 15 3HB ARG 15 -2.787 -18.911 -8.017 109 HG2 ARG 15 2HG ARG 15 -5.272 -19.672 -9.123 110 HG3 ARG 15 3HG ARG 15 -5.455 -18.042 -8.471 111 HD2 ARG 15 2HD ARG 15 -4.636 -17.491 -10.514 112 HD3 ARG 15 3HD ARG 15 -3.102 -17.731 -9.677 113 HE ARG 15 HE ARG 15 -3.941 -20.171 -10.790 114 HH11 ARG 15 1HH1 ARG 15 -2.741 -17.048 -11.752 115 HH12 ARG 15 2HH1 ARG 15 -1.998 -17.636 -13.203 116 HH21 ARG 15 1HH2 ARG 15 -2.967 -20.957 -12.697 117 HH22 ARG 15 2HH2 ARG 15 -2.128 -19.859 -13.739 118 H PHE 16 H PHE 16 -1.658 -21.730 -7.706 119 HA PHE 16 HA PHE 16 -1.759 -22.287 -10.401 120 HB2 PHE 16 2HB PHE 16 -0.443 -23.920 -8.221 121 HB3 PHE 16 3HB PHE 16 -0.098 -24.072 -9.941 122 HD1 PHE 16 HD2 PHE 16 -0.451 -20.914 -10.243 123 HD2 PHE 16 HD1 PHE 16 1.941 -23.475 -7.827 124 HE1 PHE 16 HE2 PHE 16 1.250 -19.145 -10.057 125 HE2 PHE 16 HE1 PHE 16 3.645 -21.711 -7.636 126 HZ PHE 16 HZ PHE 16 3.301 -19.543 -8.753 Start of MODEL 6 1 H1 GLY 1 H GLY 1 4.378 1.617 0.312 2 HA2 GLY 1 2HA GLY 1 2.178 0.250 0.851 3 HA3 GLY 1 3HA GLY 1 2.332 1.082 -0.690 4 H ALA 2 H ALA 2 4.440 -1.575 -0.058 5 HA ALA 2 HA ALA 2 3.070 -3.116 -2.134 6 HB1 ALA 2 1HB ALA 2 5.077 -4.139 -2.602 7 HB2 ALA 2 2HB ALA 2 5.618 -2.549 -2.061 8 HB3 ALA 2 3HB ALA 2 5.692 -3.927 -0.963 9 H ALA 3 H ALA 3 2.101 -2.927 0.660 10 HA ALA 3 HA ALA 3 2.657 -5.230 2.138 11 HB1 ALA 3 1HB ALA 3 0.834 -4.681 3.465 12 HB2 ALA 3 2HB ALA 3 1.310 -3.125 2.782 13 HB3 ALA 3 3HB ALA 3 -0.070 -3.997 2.113 14 H LEU 4 H LEU 4 0.729 -4.775 -0.702 15 HA LEU 4 HA LEU 4 -0.623 -7.332 -0.408 16 HB2 LEU 4 2HB LEU 4 -1.567 -5.133 -1.431 17 HB3 LEU 4 3HB LEU 4 -0.705 -5.650 -2.879 18 HG LEU 4 HG LEU 4 -2.083 -7.890 -2.385 19 HD11 LEU 4 1HD1 LEU 4 -4.336 -7.343 -1.649 20 HD12 LEU 4 2HD1 LEU 4 -3.847 -5.676 -1.348 21 HD13 LEU 4 3HD1 LEU 4 -3.160 -6.983 -0.385 22 HD21 LEU 4 3HD2 LEU 4 -3.561 -7.232 -4.121 23 HD22 LEU 4 1HD2 LEU 4 -2.018 -6.440 -4.441 24 HD23 LEU 4 2HD2 LEU 4 -3.352 -5.521 -3.744 25 H GLN 5 H GLN 5 2.265 -6.125 -1.717 26 HA GLN 5 HA GLN 5 2.563 -7.967 -3.876 27 HB2 GLN 5 2HB GLN 5 3.788 -5.711 -3.433 28 HB3 GLN 5 3HB GLN 5 4.878 -6.690 -2.461 29 HG2 GLN 5 2HG GLN 5 5.410 -8.059 -4.386 30 HG3 GLN 5 3HG GLN 5 4.263 -7.152 -5.370 31 HE21 GLN 5 1HE2 GLN 5 7.420 -7.530 -4.791 32 HE22 GLN 5 2HE2 GLN 5 8.005 -5.953 -5.189 33 H ILE 6 H ILE 6 2.867 -8.216 -0.494 34 HA ILE 6 HA ILE 6 4.796 -10.353 -0.479 35 HB ILE 6 HB ILE 6 3.163 -8.958 1.578 36 HG12 ILE 6 2HG1 ILE 6 5.979 -9.906 1.908 37 HG13 ILE 6 3HG1 ILE 6 5.657 -8.586 0.789 38 HG21 ILE 6 1HG2 ILE 6 4.145 -11.777 1.809 39 HG22 ILE 6 2HG2 ILE 6 4.042 -10.736 3.228 40 HG23 ILE 6 3HG2 ILE 6 2.592 -11.095 2.291 41 HD11 ILE 6 3HD1 ILE 6 4.455 -7.458 2.722 42 HD12 ILE 6 1HD1 ILE 6 5.216 -8.672 3.750 43 HD13 ILE 6 2HD1 ILE 6 6.213 -7.561 2.812 44 HA PRO 7 HA PRO 7 0.880 -13.006 0.513 45 HB2 PRO 7 2HB PRO 7 -1.541 -11.822 0.185 46 HB3 PRO 7 3HB PRO 7 -0.651 -11.782 1.712 47 HG2 PRO 7 2HG PRO 7 -0.847 -9.692 -0.422 48 HG3 PRO 7 3HG PRO 7 -0.920 -9.502 1.339 49 HD2 PRO 7 2HD PRO 7 1.318 -8.976 -0.090 50 HD3 PRO 7 3HD PRO 7 1.371 -9.599 1.571 51 H PHE 8 H PHE 8 1.086 -10.789 -2.117 52 HA PHE 8 HA PHE 8 -0.685 -12.102 -3.910 53 HB2 PHE 8 2HB PHE 8 -0.099 -9.811 -4.335 54 HB3 PHE 8 3HB PHE 8 1.617 -10.202 -4.376 55 HD1 PHE 8 HD2 PHE 8 -1.306 -11.825 -6.018 56 HD2 PHE 8 HD1 PHE 8 2.374 -9.741 -6.502 57 HE1 PHE 8 HE2 PHE 8 -1.444 -12.154 -8.453 58 HE2 PHE 8 HE1 PHE 8 2.241 -10.065 -8.937 59 HZ PHE 8 HZ PHE 8 0.332 -11.274 -9.916 60 H ALA 9 H ALA 9 2.699 -12.483 -3.101 61 HA ALA 9 HA ALA 9 3.401 -14.136 -5.300 62 HB1 ALA 9 1HB ALA 9 5.459 -14.030 -4.442 63 HB2 ALA 9 2HB ALA 9 4.778 -12.902 -3.269 64 HB3 ALA 9 3HB ALA 9 4.926 -14.612 -2.864 65 H MET 10 H MET 10 2.353 -14.825 -1.981 66 HA MET 10 HA MET 10 2.504 -17.671 -2.342 67 HB2 MET 10 2HB MET 10 1.609 -17.830 -0.116 68 HB3 MET 10 3HB MET 10 2.808 -16.544 -0.137 69 HG2 MET 10 2HG MET 10 0.923 -14.918 -0.397 70 HG3 MET 10 3HG MET 10 -0.183 -16.261 -0.116 71 HE1 MET 10 3HE MET 10 -1.291 -15.451 2.530 72 HE2 MET 10 1HE MET 10 -0.971 -16.999 1.748 73 HE3 MET 10 2HE MET 10 -0.461 -16.732 3.415 74 H GLN 11 H GLN 11 0.025 -15.205 -2.571 75 HA GLN 11 HA GLN 11 -2.249 -16.828 -2.548 76 HB2 GLN 11 2HB GLN 11 -2.471 -14.441 -2.389 77 HB3 GLN 11 3HB GLN 11 -1.708 -14.214 -3.957 78 HG2 GLN 11 2HG GLN 11 -4.058 -15.918 -4.085 79 HG3 GLN 11 3HG GLN 11 -4.406 -14.307 -3.461 80 HE21 GLN 11 1HE2 GLN 11 -4.988 -15.726 -6.052 81 HE22 GLN 11 2HE2 GLN 11 -4.455 -14.625 -7.272 82 H MET 12 H MET 12 0.143 -16.294 -5.002 83 HA MET 12 HA MET 12 -1.493 -17.528 -7.072 84 HB2 MET 12 2HB MET 12 0.783 -15.772 -7.018 85 HB3 MET 12 3HB MET 12 1.153 -17.188 -7.993 86 HG2 MET 12 2HG MET 12 -0.932 -16.783 -9.273 87 HG3 MET 12 3HG MET 12 -1.153 -15.292 -8.359 88 HE1 MET 12 3HE MET 12 -0.494 -14.474 -11.917 89 HE2 MET 12 1HE MET 12 -1.575 -14.465 -10.523 90 HE3 MET 12 2HE MET 12 -0.423 -13.150 -10.753 91 H ALA 13 H ALA 13 1.166 -18.284 -4.944 92 HA ALA 13 HA ALA 13 2.272 -20.505 -6.159 93 HB1 ALA 13 1HB ALA 13 2.541 -19.258 -3.720 94 HB2 ALA 13 2HB ALA 13 1.955 -20.865 -3.289 95 HB3 ALA 13 3HB ALA 13 3.420 -20.691 -4.254 96 H TYR 14 H TYR 14 -0.661 -20.281 -4.200 97 HA TYR 14 HA TYR 14 -1.154 -23.138 -4.504 98 HB2 TYR 14 2HB TYR 14 -2.573 -22.972 -2.728 99 HB3 TYR 14 3HB TYR 14 -1.618 -21.529 -2.408 100 HD1 TYR 14 HD1 TYR 14 -2.513 -19.310 -3.422 101 HD2 TYR 14 HD2 TYR 14 -4.884 -22.806 -2.913 102 HE1 TYR 14 HE1 TYR 14 -4.550 -17.936 -3.519 103 HE2 TYR 14 HE2 TYR 14 -6.928 -21.442 -3.010 104 HH TYR 14 HH TYR 14 -6.767 -17.925 -3.493 105 H ARG 15 H ARG 15 -2.259 -20.069 -5.728 106 HA ARG 15 HA ARG 15 -4.722 -20.774 -6.804 107 HB2 ARG 15 2HB ARG 15 -3.860 -18.466 -6.720 108 HB3 ARG 15 3HB ARG 15 -2.682 -18.867 -7.963 109 HG2 ARG 15 2HG ARG 15 -5.224 -19.599 -8.952 110 HG3 ARG 15 3HG ARG 15 -5.367 -17.981 -8.261 111 HD2 ARG 15 2HD ARG 15 -4.615 -17.337 -10.286 112 HD3 ARG 15 3HD ARG 15 -3.041 -17.727 -9.595 113 HE ARG 15 HE ARG 15 -4.075 -20.052 -10.736 114 HH11 ARG 15 1HH1 ARG 15 -2.965 -16.904 -11.727 115 HH12 ARG 15 2HH1 ARG 15 -2.437 -17.438 -13.288 116 HH21 ARG 15 1HH2 ARG 15 -3.384 -20.767 -12.789 117 HH22 ARG 15 2HH2 ARG 15 -2.677 -19.635 -13.892 118 H PHE 16 H PHE 16 -1.550 -21.694 -7.767 119 HA PHE 16 HA PHE 16 -1.794 -22.198 -10.463 120 HB2 PHE 16 2HB PHE 16 -0.373 -23.878 -8.387 121 HB3 PHE 16 3HB PHE 16 -0.118 -23.996 -10.125 122 HD1 PHE 16 HD1 PHE 16 -0.475 -20.832 -10.344 123 HD2 PHE 16 HD2 PHE 16 2.031 -23.447 -8.109 124 HE1 PHE 16 HE1 PHE 16 1.239 -19.071 -10.212 125 HE2 PHE 16 HE2 PHE 16 3.748 -21.691 -7.972 126 HZ PHE 16 HZ PHE 16 3.353 -19.499 -9.024 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.428 -0.120 1.724 2 HA2 GLY 1 2HA GLY 1 1.741 0.701 -1.011 3 HA3 GLY 1 3HA GLY 1 3.365 0.593 -0.347 4 H ALA 2 H ALA 2 4.162 -1.614 0.152 5 HA ALA 2 HA ALA 2 3.323 -3.444 -1.978 6 HB1 ALA 2 1HB ALA 2 5.462 -4.197 -2.098 7 HB2 ALA 2 2HB ALA 2 5.785 -2.595 -1.433 8 HB3 ALA 2 3HB ALA 2 5.747 -4.000 -0.368 9 H ALA 3 H ALA 3 1.840 -3.138 0.539 10 HA ALA 3 HA ALA 3 2.383 -5.379 2.213 11 HB1 ALA 3 1HB ALA 3 -0.089 -3.675 1.936 12 HB2 ALA 3 2HB ALA 3 0.165 -4.886 3.194 13 HB3 ALA 3 3HB ALA 3 1.215 -3.472 3.107 14 H LEU 4 H LEU 4 0.608 -4.918 -0.723 15 HA LEU 4 HA LEU 4 -0.839 -7.424 -0.450 16 HB2 LEU 4 2HB LEU 4 -1.754 -6.851 -2.674 17 HB3 LEU 4 3HB LEU 4 -2.036 -5.613 -1.452 18 HG LEU 4 HG LEU 4 0.339 -4.873 -2.744 19 HD11 LEU 4 1HD1 LEU 4 0.100 -6.137 -4.651 20 HD12 LEU 4 2HD1 LEU 4 -0.743 -4.657 -5.106 21 HD13 LEU 4 3HD1 LEU 4 -1.662 -6.075 -4.603 22 HD21 LEU 4 3HD2 LEU 4 -1.389 -3.163 -3.771 23 HD22 LEU 4 1HD2 LEU 4 -0.976 -3.137 -2.056 24 HD23 LEU 4 2HD2 LEU 4 -2.470 -3.907 -2.592 25 H GLN 5 H GLN 5 2.146 -6.335 -1.638 26 HA GLN 5 HA GLN 5 2.488 -8.228 -3.747 27 HB2 GLN 5 2HB GLN 5 3.833 -5.981 -2.929 28 HB3 GLN 5 3HB GLN 5 4.928 -7.264 -2.434 29 HG2 GLN 5 2HG GLN 5 3.878 -7.589 -5.138 30 HG3 GLN 5 3HG GLN 5 4.833 -6.125 -4.908 31 HE21 GLN 5 1HE2 GLN 5 5.165 -8.957 -6.163 32 HE22 GLN 5 2HE2 GLN 5 6.761 -9.399 -5.670 33 H ILE 6 H ILE 6 2.620 -8.421 -0.350 34 HA ILE 6 HA ILE 6 4.474 -10.618 -0.203 35 HB ILE 6 HB ILE 6 2.791 -9.132 1.747 36 HG12 ILE 6 2HG1 ILE 6 4.995 -9.270 3.012 37 HG13 ILE 6 3HG1 ILE 6 5.670 -10.026 1.573 38 HG21 ILE 6 1HG2 ILE 6 3.529 -10.905 3.469 39 HG22 ILE 6 2HG2 ILE 6 2.116 -11.234 2.468 40 HG23 ILE 6 3HG2 ILE 6 3.666 -11.976 2.075 41 HD11 ILE 6 3HD1 ILE 6 5.972 -7.498 1.918 42 HD12 ILE 6 1HD1 ILE 6 5.503 -8.088 0.324 43 HD13 ILE 6 2HD1 ILE 6 4.292 -7.382 1.395 44 HA PRO 7 HA PRO 7 0.430 -13.125 0.643 45 HB2 PRO 7 2HB PRO 7 -1.932 -11.870 0.177 46 HB3 PRO 7 3HB PRO 7 -1.116 -11.829 1.744 47 HG2 PRO 7 2HG PRO 7 -1.140 -9.775 -0.433 48 HG3 PRO 7 3HG PRO 7 -1.291 -9.550 1.319 49 HD2 PRO 7 2HD PRO 7 1.029 -9.123 -0.009 50 HD3 PRO 7 3HD PRO 7 0.982 -9.715 1.664 51 H PHE 8 H PHE 8 0.853 -10.977 -2.013 52 HA PHE 8 HA PHE 8 -0.875 -12.275 -3.866 53 HB2 PHE 8 2HB PHE 8 -0.224 -10.005 -4.303 54 HB3 PHE 8 3HB PHE 8 1.484 -10.428 -4.251 55 HD1 PHE 8 HD2 PHE 8 -1.355 -12.078 -6.002 56 HD2 PHE 8 HD1 PHE 8 2.325 -9.968 -6.352 57 HE1 PHE 8 HE2 PHE 8 -1.378 -12.448 -8.434 58 HE2 PHE 8 HE1 PHE 8 2.307 -10.334 -8.785 59 HZ PHE 8 HZ PHE 8 0.455 -11.576 -9.829 60 H ALA 9 H ALA 9 2.465 -12.702 -2.901 61 HA ALA 9 HA ALA 9 3.096 -14.524 -5.034 62 HB1 ALA 9 1HB ALA 9 4.543 -13.090 -3.075 63 HB2 ALA 9 2HB ALA 9 4.902 -14.802 -2.849 64 HB3 ALA 9 3HB ALA 9 5.171 -14.045 -4.419 65 H MET 10 H MET 10 1.698 -14.754 -1.886 66 HA MET 10 HA MET 10 2.166 -17.626 -1.712 67 HB2 MET 10 2HB MET 10 2.335 -16.113 0.294 68 HB3 MET 10 3HB MET 10 0.596 -15.874 0.182 69 HG2 MET 10 2HG MET 10 1.223 -18.676 0.158 70 HG3 MET 10 3HG MET 10 1.961 -17.888 1.550 71 HE1 MET 10 3HE MET 10 -0.938 -16.606 3.635 72 HE2 MET 10 1HE MET 10 0.803 -16.800 3.427 73 HE3 MET 10 2HE MET 10 -0.071 -15.606 2.468 74 H GLN 11 H GLN 11 -0.385 -15.345 -2.420 75 HA GLN 11 HA GLN 11 -2.504 -17.272 -2.316 76 HB2 GLN 11 2HB GLN 11 -3.926 -15.532 -3.069 77 HB3 GLN 11 3HB GLN 11 -2.756 -14.772 -1.998 78 HG2 GLN 11 2HG GLN 11 -2.592 -13.278 -3.657 79 HG3 GLN 11 3HG GLN 11 -1.502 -14.472 -4.359 80 HE21 GLN 11 1HE2 GLN 11 -3.236 -12.446 -5.612 81 HE22 GLN 11 2HE2 GLN 11 -4.238 -13.316 -6.718 82 H MET 12 H MET 12 -0.269 -16.140 -4.727 83 HA MET 12 HA MET 12 -1.742 -17.421 -6.889 84 HB2 MET 12 2HB MET 12 -0.189 -15.189 -6.839 85 HB3 MET 12 3HB MET 12 0.966 -16.381 -7.420 86 HG2 MET 12 2HG MET 12 -0.722 -17.008 -9.171 87 HG3 MET 12 3HG MET 12 -1.654 -15.602 -8.663 88 HE1 MET 12 3HE MET 12 -0.567 -14.307 -11.907 89 HE2 MET 12 1HE MET 12 0.132 -15.925 -11.981 90 HE3 MET 12 2HE MET 12 -1.442 -15.679 -11.225 91 H ALA 13 H ALA 13 1.038 -17.949 -4.857 92 HA ALA 13 HA ALA 13 2.456 -19.836 -6.305 93 HB1 ALA 13 1HB ALA 13 2.897 -20.783 -3.879 94 HB2 ALA 13 2HB ALA 13 3.565 -19.236 -4.402 95 HB3 ALA 13 3HB ALA 13 2.109 -19.277 -3.407 96 H TYR 14 H TYR 14 -0.418 -20.258 -4.295 97 HA TYR 14 HA TYR 14 -0.459 -23.120 -4.848 98 HB2 TYR 14 2HB TYR 14 -1.839 -23.340 -3.047 99 HB3 TYR 14 3HB TYR 14 -1.115 -21.796 -2.610 100 HD1 TYR 14 HD1 TYR 14 -2.376 -19.669 -3.409 101 HD2 TYR 14 HD2 TYR 14 -4.151 -23.529 -3.184 102 HE1 TYR 14 HE1 TYR 14 -4.606 -18.633 -3.355 103 HE2 TYR 14 HE2 TYR 14 -6.387 -22.504 -3.131 104 HH TYR 14 HH TYR 14 -7.452 -20.437 -2.627 105 H ARG 15 H ARG 15 -2.067 -20.173 -5.779 106 HA ARG 15 HA ARG 15 -4.417 -21.167 -6.881 107 HB2 ARG 15 2HB ARG 15 -3.923 -18.766 -6.600 108 HB3 ARG 15 3HB ARG 15 -2.738 -18.867 -7.896 109 HG2 ARG 15 2HG ARG 15 -5.156 -19.905 -8.908 110 HG3 ARG 15 3HG ARG 15 -5.541 -18.406 -8.061 111 HD2 ARG 15 2HD ARG 15 -4.470 -17.131 -9.573 112 HD3 ARG 15 3HD ARG 15 -3.144 -18.281 -9.746 113 HE ARG 15 HE ARG 15 -5.156 -19.525 -11.022 114 HH11 ARG 15 1HH1 ARG 15 -3.890 -16.289 -11.231 115 HH12 ARG 15 2HH1 ARG 15 -4.302 -16.096 -12.902 116 HH21 ARG 15 1HH2 ARG 15 -5.703 -19.283 -13.223 117 HH22 ARG 15 2HH2 ARG 15 -5.334 -17.799 -14.034 118 H PHE 16 H PHE 16 -1.167 -21.485 -7.961 119 HA PHE 16 HA PHE 16 -1.398 -21.785 -10.689 120 HB2 PHE 16 2HB PHE 16 0.321 -23.392 -8.788 121 HB3 PHE 16 3HB PHE 16 0.545 -23.321 -10.533 122 HD1 PHE 16 HD2 PHE 16 -0.300 -20.246 -10.477 123 HD2 PHE 16 HD1 PHE 16 2.630 -22.613 -8.494 124 HE1 PHE 16 HE2 PHE 16 1.122 -18.256 -10.211 125 HE2 PHE 16 HE1 PHE 16 4.056 -20.626 -8.224 126 HZ PHE 16 HZ PHE 16 3.304 -18.445 -9.084 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.352 -1.684 -5.596 2 HA2 GLY 1 2HA GLY 1 1.844 -1.557 -2.865 3 HA3 GLY 1 3HA GLY 1 1.150 -2.748 -3.955 4 H ALA 2 H ALA 2 4.238 -2.066 -2.308 5 HA ALA 2 HA ALA 2 5.239 -4.668 -2.367 6 HB1 ALA 2 1HB ALA 2 5.838 -2.198 -0.915 7 HB2 ALA 2 2HB ALA 2 6.292 -3.672 -0.058 8 HB3 ALA 2 3HB ALA 2 6.923 -3.363 -1.676 9 H ALA 3 H ALA 3 2.916 -3.166 -0.235 10 HA ALA 3 HA ALA 3 2.986 -5.156 1.800 11 HB1 ALA 3 1HB ALA 3 2.113 -3.125 2.510 12 HB2 ALA 3 2HB ALA 3 1.079 -2.960 1.091 13 HB3 ALA 3 3HB ALA 3 0.678 -4.138 2.341 14 H LEU 4 H LEU 4 1.330 -4.839 -1.247 15 HA LEU 4 HA LEU 4 -0.475 -7.043 -0.671 16 HB2 LEU 4 2HB LEU 4 -0.077 -5.285 -3.079 17 HB3 LEU 4 3HB LEU 4 -1.192 -6.649 -3.061 18 HG LEU 4 HG LEU 4 -1.646 -4.824 -0.844 19 HD11 LEU 4 1HD1 LEU 4 -2.419 -3.649 -3.462 20 HD12 LEU 4 2HD1 LEU 4 -0.775 -3.391 -2.879 21 HD13 LEU 4 3HD1 LEU 4 -2.148 -2.868 -1.904 22 HD21 LEU 4 3HD2 LEU 4 -3.925 -5.053 -1.538 23 HD22 LEU 4 1HD2 LEU 4 -3.154 -6.634 -1.660 24 HD23 LEU 4 2HD2 LEU 4 -3.437 -5.677 -3.114 25 H GLN 5 H GLN 5 2.635 -6.575 -1.950 26 HA GLN 5 HA GLN 5 2.664 -8.802 -3.751 27 HB2 GLN 5 2HB GLN 5 4.602 -6.817 -2.750 28 HB3 GLN 5 3HB GLN 5 5.287 -8.380 -3.172 29 HG2 GLN 5 2HG GLN 5 4.156 -8.171 -5.396 30 HG3 GLN 5 3HG GLN 5 3.740 -6.517 -4.951 31 HE21 GLN 5 1HE2 GLN 5 5.502 -7.691 -7.063 32 HE22 GLN 5 2HE2 GLN 5 7.015 -6.882 -6.871 33 H ILE 6 H ILE 6 2.859 -8.458 -0.373 34 HA ILE 6 HA ILE 6 4.459 -10.786 0.144 35 HB ILE 6 HB ILE 6 2.927 -8.855 1.808 36 HG12 ILE 6 2HG1 ILE 6 5.535 -10.024 2.609 37 HG13 ILE 6 3HG1 ILE 6 5.525 -9.057 1.138 38 HG21 ILE 6 1HG2 ILE 6 3.517 -11.683 2.595 39 HG22 ILE 6 2HG2 ILE 6 3.472 -10.397 3.799 40 HG23 ILE 6 3HG2 ILE 6 2.042 -10.747 2.829 41 HD11 ILE 6 3HD1 ILE 6 6.100 -7.618 2.920 42 HD12 ILE 6 1HD1 ILE 6 4.439 -7.233 2.470 43 HD13 ILE 6 2HD1 ILE 6 4.762 -8.198 3.911 44 HA PRO 7 HA PRO 7 0.175 -12.713 1.287 45 HB2 PRO 7 2HB PRO 7 -2.043 -11.327 0.559 46 HB3 PRO 7 3HB PRO 7 -1.244 -11.109 2.121 47 HG2 PRO 7 2HG PRO 7 -1.036 -9.448 -0.361 48 HG3 PRO 7 3HG PRO 7 -1.184 -8.924 1.327 49 HD2 PRO 7 2HD PRO 7 1.183 -8.951 0.011 50 HD3 PRO 7 3HD PRO 7 1.057 -9.253 1.756 51 H PHE 8 H PHE 8 -0.190 -10.672 -1.618 52 HA PHE 8 HA PHE 8 -1.600 -12.500 -3.175 53 HB2 PHE 8 2HB PHE 8 -1.366 -10.151 -3.803 54 HB3 PHE 8 3HB PHE 8 0.361 -10.374 -4.063 55 HD1 PHE 8 HD2 PHE 8 -2.472 -12.549 -5.085 56 HD2 PHE 8 HD1 PHE 8 0.674 -9.964 -6.322 57 HE1 PHE 8 HE2 PHE 8 -2.907 -13.148 -7.432 58 HE2 PHE 8 HE1 PHE 8 0.244 -10.557 -8.671 59 HZ PHE 8 HZ PHE 8 -1.548 -12.152 -9.228 60 H ALA 9 H ALA 9 1.840 -12.195 -2.570 61 HA ALA 9 HA ALA 9 2.907 -13.744 -4.590 62 HB1 ALA 9 1HB ALA 9 4.393 -14.445 -2.356 63 HB2 ALA 9 2HB ALA 9 4.692 -13.084 -3.437 64 HB3 ALA 9 3HB ALA 9 3.745 -12.851 -1.968 65 H MET 10 H MET 10 1.912 -14.897 -1.360 66 HA MET 10 HA MET 10 2.256 -17.637 -1.989 67 HB2 MET 10 2HB MET 10 1.949 -16.297 0.319 68 HB3 MET 10 3HB MET 10 0.302 -16.879 0.112 69 HG2 MET 10 2HG MET 10 1.019 -19.145 0.100 70 HG3 MET 10 3HG MET 10 2.713 -18.668 0.016 71 HE1 MET 10 3HE MET 10 -0.124 -18.842 3.499 72 HE2 MET 10 1HE MET 10 -0.100 -17.193 2.873 73 HE3 MET 10 2HE MET 10 -0.508 -18.536 1.805 74 H GLN 11 H GLN 11 -0.503 -15.451 -2.121 75 HA GLN 11 HA GLN 11 -2.541 -17.306 -2.519 76 HB2 GLN 11 2HB GLN 11 -2.774 -14.815 -2.137 77 HB3 GLN 11 3HB GLN 11 -2.397 -14.598 -3.841 78 HG2 GLN 11 2HG GLN 11 -4.520 -16.532 -3.398 79 HG3 GLN 11 3HG GLN 11 -4.899 -14.933 -2.758 80 HE21 GLN 11 1HE2 GLN 11 -4.335 -16.829 -5.587 81 HE22 GLN 11 2HE2 GLN 11 -4.796 -15.630 -6.742 82 H MET 12 H MET 12 -0.050 -16.208 -4.662 83 HA MET 12 HA MET 12 -1.365 -17.331 -7.007 84 HB2 MET 12 2HB MET 12 0.588 -15.312 -6.562 85 HB3 MET 12 3HB MET 12 1.334 -16.567 -7.542 86 HG2 MET 12 2HG MET 12 -0.636 -16.410 -9.078 87 HG3 MET 12 3HG MET 12 -1.154 -15.000 -8.157 88 HE1 MET 12 3HE MET 12 0.012 -16.207 -10.980 89 HE2 MET 12 1HE MET 12 0.155 -14.633 -11.762 90 HE3 MET 12 2HE MET 12 1.600 -15.590 -11.437 91 H ALA 13 H ALA 13 1.174 -18.076 -4.738 92 HA ALA 13 HA ALA 13 2.622 -19.994 -6.114 93 HB1 ALA 13 1HB ALA 13 3.155 -19.079 -3.855 94 HB2 ALA 13 2HB ALA 13 1.913 -20.141 -3.190 95 HB3 ALA 13 3HB ALA 13 3.327 -20.829 -3.989 96 H TYR 14 H TYR 14 -0.447 -20.315 -4.396 97 HA TYR 14 HA TYR 14 -0.586 -23.152 -5.051 98 HB2 TYR 14 2HB TYR 14 -2.138 -23.350 -3.393 99 HB3 TYR 14 3HB TYR 14 -1.377 -21.864 -2.836 100 HD1 TYR 14 HD1 TYR 14 -2.443 -19.646 -3.686 101 HD2 TYR 14 HD2 TYR 14 -4.435 -23.405 -3.732 102 HE1 TYR 14 HE1 TYR 14 -4.611 -18.489 -3.798 103 HE2 TYR 14 HE2 TYR 14 -6.608 -22.259 -3.846 104 HH TYR 14 HH TYR 14 -6.813 -18.711 -3.915 105 H ARG 15 H ARG 15 -1.924 -20.094 -6.035 106 HA ARG 15 HA ARG 15 -4.217 -20.918 -7.376 107 HB2 ARG 15 2HB ARG 15 -3.660 -18.563 -6.983 108 HB3 ARG 15 3HB ARG 15 -2.318 -18.684 -8.113 109 HG2 ARG 15 2HG ARG 15 -3.969 -19.238 -9.899 110 HG3 ARG 15 3HG ARG 15 -5.253 -18.889 -8.739 111 HD2 ARG 15 2HD ARG 15 -5.123 -16.792 -9.511 112 HD3 ARG 15 3HD ARG 15 -3.668 -16.675 -8.521 113 HE ARG 15 HE ARG 15 -2.890 -17.720 -10.965 114 HH11 ARG 15 1HH1 ARG 15 -4.323 -14.787 -9.754 115 HH12 ARG 15 2HH1 ARG 15 -3.646 -13.789 -10.998 116 HH21 ARG 15 1HH2 ARG 15 -1.994 -16.416 -12.608 117 HH22 ARG 15 2HH2 ARG 15 -2.322 -14.716 -12.621 118 H PHE 16 H PHE 16 -0.905 -21.403 -8.159 119 HA PHE 16 HA PHE 16 -0.894 -21.607 -10.906 120 HB2 PHE 16 2HB PHE 16 0.545 -23.370 -8.912 121 HB3 PHE 16 3HB PHE 16 0.939 -23.256 -10.625 122 HD1 PHE 16 HD1 PHE 16 0.265 -20.142 -10.537 123 HD2 PHE 16 HD2 PHE 16 2.853 -22.734 -8.370 124 HE1 PHE 16 HE1 PHE 16 1.762 -18.247 -10.066 125 HE2 PHE 16 HE2 PHE 16 4.354 -20.844 -7.895 126 HZ PHE 16 HZ PHE 16 3.809 -18.597 -8.742 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.067 -0.479 -1.416 2 HA2 GLY 1 2HA GLY 1 0.902 -2.397 -3.647 3 HA3 GLY 1 3HA GLY 1 2.020 -1.044 -3.556 4 H ALA 2 H ALA 2 2.996 -1.403 -0.964 5 HA ALA 2 HA ALA 2 4.849 -3.562 -1.436 6 HB1 ALA 2 1HB ALA 2 5.824 -2.752 0.766 7 HB2 ALA 2 2HB ALA 2 5.829 -1.606 -0.575 8 HB3 ALA 2 3HB ALA 2 4.621 -1.464 0.702 9 H ALA 3 H ALA 3 2.061 -2.970 0.567 10 HA ALA 3 HA ALA 3 2.537 -5.204 2.322 11 HB1 ALA 3 1HB ALA 3 0.777 -2.963 2.254 12 HB2 ALA 3 2HB ALA 3 -0.179 -4.434 2.434 13 HB3 ALA 3 3HB ALA 3 1.108 -4.072 3.584 14 H LEU 4 H LEU 4 0.958 -4.667 -0.712 15 HA LEU 4 HA LEU 4 -0.531 -7.160 -0.580 16 HB2 LEU 4 2HB LEU 4 -0.284 -5.020 -2.679 17 HB3 LEU 4 3HB LEU 4 -1.185 -6.513 -2.932 18 HG LEU 4 HG LEU 4 -1.859 -4.751 -0.613 19 HD11 LEU 4 1HD1 LEU 4 -2.782 -4.339 -3.453 20 HD12 LEU 4 2HD1 LEU 4 -1.800 -3.230 -2.497 21 HD13 LEU 4 3HD1 LEU 4 -3.469 -3.556 -2.030 22 HD21 LEU 4 3HD2 LEU 4 -3.885 -5.850 -0.639 23 HD22 LEU 4 1HD2 LEU 4 -2.785 -7.125 -1.162 24 HD23 LEU 4 2HD2 LEU 4 -3.762 -6.262 -2.350 25 H GLN 5 H GLN 5 2.536 -6.086 -1.554 26 HA GLN 5 HA GLN 5 2.991 -7.943 -3.673 27 HB2 GLN 5 2HB GLN 5 4.266 -5.726 -2.963 28 HB3 GLN 5 3HB GLN 5 5.250 -6.864 -2.053 29 HG2 GLN 5 2HG GLN 5 6.192 -7.746 -3.902 30 HG3 GLN 5 3HG GLN 5 4.732 -7.553 -4.872 31 HE21 GLN 5 1HE2 GLN 5 7.645 -6.047 -3.738 32 HE22 GLN 5 2HE2 GLN 5 7.610 -4.697 -4.815 33 H ILE 6 H ILE 6 2.903 -8.201 -0.278 34 HA ILE 6 HA ILE 6 4.721 -10.421 -0.055 35 HB ILE 6 HB ILE 6 2.932 -8.952 1.811 36 HG12 ILE 6 2HG1 ILE 6 5.097 -9.261 3.210 37 HG13 ILE 6 3HG1 ILE 6 5.814 -9.803 1.696 38 HG21 ILE 6 1HG2 ILE 6 3.755 -11.812 2.140 39 HG22 ILE 6 2HG2 ILE 6 3.541 -10.765 3.542 40 HG23 ILE 6 3HG2 ILE 6 2.190 -11.060 2.448 41 HD11 ILE 6 3HD1 ILE 6 5.009 -7.614 0.707 42 HD12 ILE 6 1HD1 ILE 6 4.697 -7.104 2.366 43 HD13 ILE 6 2HD1 ILE 6 6.335 -7.528 1.866 44 HA PRO 7 HA PRO 7 0.603 -12.895 0.483 45 HB2 PRO 7 2HB PRO 7 -1.710 -11.604 -0.109 46 HB3 PRO 7 3HB PRO 7 -0.996 -11.602 1.507 47 HG2 PRO 7 2HG PRO 7 -0.858 -9.507 -0.627 48 HG3 PRO 7 3HG PRO 7 -1.119 -9.313 1.116 49 HD2 PRO 7 2HD PRO 7 1.287 -8.889 -0.053 50 HD3 PRO 7 3HD PRO 7 1.125 -9.512 1.602 51 H PHE 8 H PHE 8 1.196 -10.690 -2.100 52 HA PHE 8 HA PHE 8 -0.422 -11.908 -4.087 53 HB2 PHE 8 2HB PHE 8 0.352 -9.657 -4.430 54 HB3 PHE 8 3HB PHE 8 2.033 -10.159 -4.287 55 HD1 PHE 8 HD2 PHE 8 -0.780 -11.620 -6.238 56 HD2 PHE 8 HD1 PHE 8 3.031 -9.726 -6.321 57 HE1 PHE 8 HE2 PHE 8 -0.675 -11.946 -8.674 58 HE2 PHE 8 HE1 PHE 8 3.141 -10.048 -8.758 59 HZ PHE 8 HZ PHE 8 1.287 -11.160 -9.938 60 H ALA 9 H ALA 9 2.817 -12.495 -2.895 61 HA ALA 9 HA ALA 9 3.596 -14.247 -5.014 62 HB1 ALA 9 1HB ALA 9 4.802 -13.115 -2.675 63 HB2 ALA 9 2HB ALA 9 5.118 -14.850 -2.731 64 HB3 ALA 9 3HB ALA 9 5.571 -13.827 -4.094 65 H MET 10 H MET 10 1.930 -14.622 -1.973 66 HA MET 10 HA MET 10 2.149 -17.514 -2.018 67 HB2 MET 10 2HB MET 10 1.676 -15.585 -0.030 68 HB3 MET 10 3HB MET 10 0.188 -16.514 -0.153 69 HG2 MET 10 2HG MET 10 2.300 -18.370 -0.182 70 HG3 MET 10 3HG MET 10 2.657 -17.210 1.095 71 HE1 MET 10 3HE MET 10 0.988 -20.602 2.533 72 HE2 MET 10 1HE MET 10 1.156 -20.651 0.777 73 HE3 MET 10 2HE MET 10 2.466 -20.012 1.770 74 H GLN 11 H GLN 11 -0.211 -15.025 -2.752 75 HA GLN 11 HA GLN 11 -2.491 -16.645 -2.961 76 HB2 GLN 11 2HB GLN 11 -2.705 -14.247 -2.893 77 HB3 GLN 11 3HB GLN 11 -1.762 -14.074 -4.367 78 HG2 GLN 11 2HG GLN 11 -4.086 -15.777 -4.722 79 HG3 GLN 11 3HG GLN 11 -4.504 -14.152 -4.183 80 HE21 GLN 11 1HE2 GLN 11 -3.878 -16.054 -6.819 81 HE22 GLN 11 2HE2 GLN 11 -3.554 -14.819 -7.983 82 H MET 12 H MET 12 0.216 -16.191 -5.077 83 HA MET 12 HA MET 12 -1.137 -17.479 -7.314 84 HB2 MET 12 2HB MET 12 0.742 -15.519 -7.246 85 HB3 MET 12 3HB MET 12 1.757 -16.932 -7.502 86 HG2 MET 12 2HG MET 12 1.083 -17.184 -9.615 87 HG3 MET 12 3HG MET 12 -0.600 -16.843 -9.221 88 HE1 MET 12 3HE MET 12 -1.285 -14.559 -11.259 89 HE2 MET 12 1HE MET 12 -1.769 -15.190 -9.685 90 HE3 MET 12 2HE MET 12 -1.352 -13.485 -9.860 91 H ALA 13 H ALA 13 1.037 -18.222 -4.738 92 HA ALA 13 HA ALA 13 2.335 -20.474 -5.791 93 HB1 ALA 13 1HB ALA 13 2.782 -21.091 -3.476 94 HB2 ALA 13 2HB ALA 13 3.046 -19.366 -3.733 95 HB3 ALA 13 3HB ALA 13 1.582 -19.923 -2.923 96 H TYR 14 H TYR 14 -0.800 -20.101 -4.228 97 HA TYR 14 HA TYR 14 -1.293 -22.970 -4.353 98 HB2 TYR 14 2HB TYR 14 -2.938 -22.644 -2.810 99 HB3 TYR 14 3HB TYR 14 -2.014 -21.181 -2.489 100 HD1 TYR 14 HD1 TYR 14 -2.732 -19.053 -3.781 101 HD2 TYR 14 HD2 TYR 14 -5.197 -22.494 -3.349 102 HE1 TYR 14 HE1 TYR 14 -4.716 -17.686 -4.276 103 HE2 TYR 14 HE2 TYR 14 -7.188 -21.137 -3.844 104 HH TYR 14 HH TYR 14 -6.956 -17.637 -4.308 105 H ARG 15 H ARG 15 -2.179 -20.015 -5.976 106 HA ARG 15 HA ARG 15 -4.477 -20.833 -7.322 107 HB2 ARG 15 2HB ARG 15 -2.760 -18.604 -7.363 108 HB3 ARG 15 3HB ARG 15 -2.832 -19.186 -9.021 109 HG2 ARG 15 2HG ARG 15 -5.300 -18.700 -7.384 110 HG3 ARG 15 3HG ARG 15 -4.529 -17.434 -8.342 111 HD2 ARG 15 2HD ARG 15 -4.880 -19.869 -9.866 112 HD3 ARG 15 3HD ARG 15 -6.411 -19.282 -9.219 113 HE ARG 15 HE ARG 15 -5.025 -17.130 -10.366 114 HH11 ARG 15 1HH1 ARG 15 -6.656 -20.062 -11.295 115 HH12 ARG 15 2HH1 ARG 15 -7.114 -19.467 -12.857 116 HH21 ARG 15 1HH2 ARG 15 -5.622 -16.335 -12.418 117 HH22 ARG 15 2HH2 ARG 15 -6.524 -17.347 -13.495 118 H PHE 16 H PHE 16 -1.203 -21.781 -7.747 119 HA PHE 16 HA PHE 16 -1.047 -22.468 -10.410 120 HB2 PHE 16 2HB PHE 16 0.062 -23.948 -8.017 121 HB3 PHE 16 3HB PHE 16 0.540 -24.256 -9.683 122 HD1 PHE 16 HD2 PHE 16 0.279 -21.153 -10.323 123 HD2 PHE 16 HD1 PHE 16 2.391 -23.468 -7.442 124 HE1 PHE 16 HE2 PHE 16 1.984 -19.387 -10.159 125 HE2 PHE 16 HE1 PHE 16 4.099 -21.705 -7.273 126 HZ PHE 16 HZ PHE 16 3.898 -19.662 -8.634 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.510 -0.210 -1.667 2 HA2 GLY 1 2HA GLY 1 0.633 -2.363 -3.386 3 HA3 GLY 1 3HA GLY 1 1.810 -1.058 -3.362 4 H ALA 2 H ALA 2 2.925 -1.502 -0.826 5 HA ALA 2 HA ALA 2 4.688 -3.689 -1.457 6 HB1 ALA 2 1HB ALA 2 6.141 -2.755 0.003 7 HB2 ALA 2 2HB ALA 2 5.109 -1.344 -0.237 8 HB3 ALA 2 3HB ALA 2 4.884 -2.370 1.180 9 H ALA 3 H ALA 3 2.032 -3.103 0.731 10 HA ALA 3 HA ALA 3 2.518 -5.394 2.384 11 HB1 ALA 3 1HB ALA 3 0.442 -3.302 2.181 12 HB2 ALA 3 2HB ALA 3 -0.057 -4.843 2.881 13 HB3 ALA 3 3HB ALA 3 1.279 -3.941 3.596 14 H LEU 4 H LEU 4 0.881 -4.798 -0.608 15 HA LEU 4 HA LEU 4 -0.600 -7.298 -0.500 16 HB2 LEU 4 2HB LEU 4 -0.493 -4.963 -2.345 17 HB3 LEU 4 3HB LEU 4 -1.080 -6.504 -2.966 18 HG LEU 4 HG LEU 4 -2.374 -5.794 -0.472 19 HD11 LEU 4 1HD1 LEU 4 -2.391 -3.807 -2.719 20 HD12 LEU 4 2HD1 LEU 4 -2.156 -3.525 -0.995 21 HD13 LEU 4 3HD1 LEU 4 -3.750 -3.967 -1.606 22 HD21 LEU 4 3HD2 LEU 4 -4.385 -6.161 -1.883 23 HD22 LEU 4 1HD2 LEU 4 -3.233 -7.495 -1.930 24 HD23 LEU 4 2HD2 LEU 4 -3.322 -6.360 -3.277 25 H GLN 5 H GLN 5 2.446 -6.195 -1.508 26 HA GLN 5 HA GLN 5 2.865 -8.006 -3.674 27 HB2 GLN 5 2HB GLN 5 4.156 -5.799 -2.884 28 HB3 GLN 5 3HB GLN 5 5.179 -6.999 -2.104 29 HG2 GLN 5 2HG GLN 5 5.339 -8.130 -4.360 30 HG3 GLN 5 3HG GLN 5 4.600 -6.677 -5.030 31 HE21 GLN 5 1HE2 GLN 5 7.457 -8.168 -4.424 32 HE22 GLN 5 2HE2 GLN 5 8.507 -6.796 -4.414 33 H ILE 6 H ILE 6 2.841 -8.335 -0.284 34 HA ILE 6 HA ILE 6 4.667 -10.556 -0.142 35 HB ILE 6 HB ILE 6 2.911 -9.130 1.788 36 HG12 ILE 6 2HG1 ILE 6 5.346 -9.930 2.933 37 HG13 ILE 6 3HG1 ILE 6 5.728 -9.521 1.264 38 HG21 ILE 6 1HG2 ILE 6 3.745 -11.995 2.041 39 HG22 ILE 6 2HG2 ILE 6 3.555 -10.978 3.469 40 HG23 ILE 6 3HG2 ILE 6 2.185 -11.253 2.394 41 HD11 ILE 6 3HD1 ILE 6 4.315 -7.735 3.230 42 HD12 ILE 6 1HD1 ILE 6 6.007 -7.614 2.749 43 HD13 ILE 6 2HD1 ILE 6 4.730 -7.325 1.566 44 HA PRO 7 HA PRO 7 0.565 -13.050 0.421 45 HB2 PRO 7 2HB PRO 7 -1.761 -11.752 -0.100 46 HB3 PRO 7 3HB PRO 7 -1.017 -11.782 1.502 47 HG2 PRO 7 2HG PRO 7 -0.923 -9.643 -0.590 48 HG3 PRO 7 3HG PRO 7 -1.152 -9.486 1.161 49 HD2 PRO 7 2HD PRO 7 1.231 -9.032 -0.043 50 HD3 PRO 7 3HD PRO 7 1.102 -9.690 1.601 51 H PHE 8 H PHE 8 1.100 -10.787 -2.125 52 HA PHE 8 HA PHE 8 -0.554 -11.944 -4.109 53 HB2 PHE 8 2HB PHE 8 0.257 -9.707 -4.432 54 HB3 PHE 8 3HB PHE 8 1.931 -10.238 -4.307 55 HD1 PHE 8 HD2 PHE 8 -0.927 -11.602 -6.266 56 HD2 PHE 8 HD1 PHE 8 2.934 -9.812 -6.337 57 HE1 PHE 8 HE2 PHE 8 -0.842 -11.891 -8.708 58 HE2 PHE 8 HE1 PHE 8 3.025 -10.097 -8.779 59 HZ PHE 8 HZ PHE 8 1.137 -11.139 -9.968 60 H ALA 9 H ALA 9 2.688 -12.624 -2.979 61 HA ALA 9 HA ALA 9 3.379 -14.365 -5.144 62 HB1 ALA 9 1HB ALA 9 4.838 -14.841 -2.681 63 HB2 ALA 9 2HB ALA 9 5.420 -14.295 -4.254 64 HB3 ALA 9 3HB ALA 9 4.769 -13.130 -3.102 65 H MET 10 H MET 10 1.812 -14.734 -2.048 66 HA MET 10 HA MET 10 1.980 -17.627 -2.114 67 HB2 MET 10 2HB MET 10 0.751 -15.644 -0.214 68 HB3 MET 10 3HB MET 10 0.431 -17.368 -0.071 69 HG2 MET 10 2HG MET 10 2.307 -17.631 1.058 70 HG3 MET 10 3HG MET 10 3.230 -17.026 -0.315 71 HE1 MET 10 3HE MET 10 4.430 -16.523 2.663 72 HE2 MET 10 1HE MET 10 5.082 -16.168 1.063 73 HE3 MET 10 2HE MET 10 4.999 -14.897 2.284 74 H GLN 11 H GLN 11 -0.293 -15.108 -2.914 75 HA GLN 11 HA GLN 11 -2.629 -16.691 -3.025 76 HB2 GLN 11 2HB GLN 11 -2.828 -14.299 -2.946 77 HB3 GLN 11 3HB GLN 11 -1.882 -14.119 -4.418 78 HG2 GLN 11 2HG GLN 11 -4.234 -15.790 -4.781 79 HG3 GLN 11 3HG GLN 11 -4.620 -14.156 -4.243 80 HE21 GLN 11 1HE2 GLN 11 -3.834 -16.107 -6.860 81 HE22 GLN 11 2HE2 GLN 11 -3.561 -14.866 -8.032 82 H MET 12 H MET 12 0.040 -16.265 -5.195 83 HA MET 12 HA MET 12 -1.376 -17.531 -7.407 84 HB2 MET 12 2HB MET 12 1.337 -16.263 -7.121 85 HB3 MET 12 3HB MET 12 0.924 -17.230 -8.530 86 HG2 MET 12 2HG MET 12 -1.193 -15.578 -8.466 87 HG3 MET 12 3HG MET 12 0.036 -14.536 -7.751 88 HE1 MET 12 3HE MET 12 2.514 -14.322 -8.943 89 HE2 MET 12 1HE MET 12 2.577 -16.035 -9.360 90 HE3 MET 12 2HE MET 12 2.817 -14.814 -10.610 91 H ALA 13 H ALA 13 0.844 -18.306 -4.880 92 HA ALA 13 HA ALA 13 2.092 -20.571 -5.966 93 HB1 ALA 13 1HB ALA 13 2.986 -19.630 -3.982 94 HB2 ALA 13 2HB ALA 13 1.458 -19.820 -3.121 95 HB3 ALA 13 3HB ALA 13 2.406 -21.241 -3.561 96 H TYR 14 H TYR 14 -1.004 -20.164 -4.335 97 HA TYR 14 HA TYR 14 -1.534 -23.027 -4.456 98 HB2 TYR 14 2HB TYR 14 -3.141 -22.685 -2.877 99 HB3 TYR 14 3HB TYR 14 -2.194 -21.234 -2.573 100 HD1 TYR 14 HD1 TYR 14 -2.914 -19.094 -3.844 101 HD2 TYR 14 HD2 TYR 14 -5.409 -22.507 -3.367 102 HE1 TYR 14 HE1 TYR 14 -4.892 -17.703 -4.293 103 HE2 TYR 14 HE2 TYR 14 -7.394 -21.126 -3.816 104 HH TYR 14 HH TYR 14 -7.278 -18.130 -5.188 105 H ARG 15 H ARG 15 -2.420 -20.057 -6.052 106 HA ARG 15 HA ARG 15 -4.756 -20.844 -7.350 107 HB2 ARG 15 2HB ARG 15 -3.013 -18.636 -7.423 108 HB3 ARG 15 3HB ARG 15 -3.126 -19.212 -9.080 109 HG2 ARG 15 2HG ARG 15 -5.746 -19.225 -8.118 110 HG3 ARG 15 3HG ARG 15 -5.029 -17.725 -7.526 111 HD2 ARG 15 2HD ARG 15 -5.524 -16.897 -9.544 112 HD3 ARG 15 3HD ARG 15 -4.135 -17.823 -10.111 113 HE ARG 15 HE ARG 15 -6.453 -19.440 -10.102 114 HH11 ARG 15 1HH1 ARG 15 -4.951 -16.823 -11.838 115 HH12 ARG 15 2HH1 ARG 15 -5.714 -17.210 -13.344 116 HH21 ARG 15 1HH2 ARG 15 -7.464 -19.961 -12.080 117 HH22 ARG 15 2HH2 ARG 15 -7.144 -18.995 -13.480 118 H PHE 16 H PHE 16 -1.503 -21.831 -7.849 119 HA PHE 16 HA PHE 16 -1.413 -22.513 -10.516 120 HB2 PHE 16 2HB PHE 16 -0.270 -24.012 -8.151 121 HB3 PHE 16 3HB PHE 16 0.168 -24.321 -9.827 122 HD1 PHE 16 HD2 PHE 16 -0.070 -21.213 -10.454 123 HD2 PHE 16 HD1 PHE 16 2.076 -23.561 -7.625 124 HE1 PHE 16 HE2 PHE 16 1.659 -19.468 -10.322 125 HE2 PHE 16 HE1 PHE 16 3.809 -21.819 -7.489 126 HZ PHE 16 HZ PHE 16 3.602 -19.770 -8.839 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.278 -0.465 -0.591 2 HA2 GLY 1 2HA GLY 1 0.842 -1.370 -3.261 3 HA3 GLY 1 3HA GLY 1 1.875 -0.357 -2.261 4 H ALA 2 H ALA 2 3.328 -1.343 -0.796 5 HA ALA 2 HA ALA 2 4.468 -3.761 -1.762 6 HB1 ALA 2 1HB ALA 2 5.563 -1.725 -0.537 7 HB2 ALA 2 2HB ALA 2 5.184 -2.656 0.913 8 HB3 ALA 2 3HB ALA 2 6.220 -3.349 -0.335 9 H ALA 3 H ALA 3 2.199 -2.994 0.752 10 HA ALA 3 HA ALA 3 2.478 -5.307 2.337 11 HB1 ALA 3 1HB ALA 3 0.952 -3.012 2.440 12 HB2 ALA 3 2HB ALA 3 -0.241 -4.292 2.212 13 HB3 ALA 3 3HB ALA 3 0.880 -4.363 3.572 14 H LEU 4 H LEU 4 0.940 -4.742 -0.716 15 HA LEU 4 HA LEU 4 -0.586 -7.214 -0.601 16 HB2 LEU 4 2HB LEU 4 -0.286 -5.085 -2.706 17 HB3 LEU 4 3HB LEU 4 -1.224 -6.557 -2.948 18 HG LEU 4 HG LEU 4 -1.785 -4.393 -0.921 19 HD11 LEU 4 1HD1 LEU 4 -2.479 -4.679 -3.670 20 HD12 LEU 4 2HD1 LEU 4 -2.934 -3.407 -2.537 21 HD13 LEU 4 3HD1 LEU 4 -3.935 -4.850 -2.690 22 HD21 LEU 4 3HD2 LEU 4 -2.568 -6.287 0.137 23 HD22 LEU 4 1HD2 LEU 4 -2.954 -7.104 -1.378 24 HD23 LEU 4 2HD2 LEU 4 -3.980 -5.792 -0.799 25 H GLN 5 H GLN 5 2.504 -6.182 -1.547 26 HA GLN 5 HA GLN 5 2.951 -8.042 -3.665 27 HB2 GLN 5 2HB GLN 5 4.255 -5.843 -2.907 28 HB3 GLN 5 3HB GLN 5 5.226 -7.024 -2.037 29 HG2 GLN 5 2HG GLN 5 4.754 -7.841 -4.768 30 HG3 GLN 5 3HG GLN 5 5.513 -6.252 -4.679 31 HE21 GLN 5 1HE2 GLN 5 6.403 -9.090 -5.392 32 HE22 GLN 5 2HE2 GLN 5 7.884 -9.278 -4.523 33 H ILE 6 H ILE 6 2.829 -8.305 -0.272 34 HA ILE 6 HA ILE 6 4.610 -10.554 -0.038 35 HB ILE 6 HB ILE 6 2.828 -9.061 1.817 36 HG12 ILE 6 2HG1 ILE 6 5.026 -9.524 3.215 37 HG13 ILE 6 3HG1 ILE 6 5.700 -9.870 1.626 38 HG21 ILE 6 1HG2 ILE 6 3.393 -10.886 3.550 39 HG22 ILE 6 2HG2 ILE 6 2.048 -11.157 2.443 40 HG23 ILE 6 3HG2 ILE 6 3.603 -11.934 2.147 41 HD11 ILE 6 3HD1 ILE 6 6.161 -7.678 1.647 42 HD12 ILE 6 1HD1 ILE 6 4.482 -7.523 1.131 43 HD13 ILE 6 2HD1 ILE 6 4.905 -7.315 2.830 44 HA PRO 7 HA PRO 7 0.452 -12.965 0.460 45 HB2 PRO 7 2HB PRO 7 -1.837 -11.638 -0.149 46 HB3 PRO 7 3HB PRO 7 -1.136 -11.650 1.474 47 HG2 PRO 7 2HG PRO 7 -0.948 -9.554 -0.655 48 HG3 PRO 7 3HG PRO 7 -1.221 -9.359 1.086 49 HD2 PRO 7 2HD PRO 7 1.200 -8.969 -0.061 50 HD3 PRO 7 3HD PRO 7 1.015 -9.593 1.591 51 H PHE 8 H PHE 8 1.099 -10.764 -2.113 52 HA PHE 8 HA PHE 8 -0.516 -11.976 -4.113 53 HB2 PHE 8 2HB PHE 8 0.248 -9.716 -4.439 54 HB3 PHE 8 3HB PHE 8 1.931 -10.213 -4.299 55 HD1 PHE 8 HD2 PHE 8 -0.866 -11.696 -6.254 56 HD2 PHE 8 HD1 PHE 8 2.915 -9.742 -6.333 57 HE1 PHE 8 HE2 PHE 8 -0.760 -12.007 -8.692 58 HE2 PHE 8 HE1 PHE 8 3.026 -10.050 -8.772 59 HZ PHE 8 HZ PHE 8 1.188 -11.184 -9.955 60 H ALA 9 H ALA 9 2.719 -12.546 -2.905 61 HA ALA 9 HA ALA 9 3.531 -14.277 -5.026 62 HB1 ALA 9 1HB ALA 9 4.636 -13.378 -2.453 63 HB2 ALA 9 2HB ALA 9 5.158 -14.976 -2.986 64 HB3 ALA 9 3HB ALA 9 5.418 -13.573 -4.022 65 H MET 10 H MET 10 1.845 -14.697 -1.997 66 HA MET 10 HA MET 10 2.062 -17.589 -2.093 67 HB2 MET 10 2HB MET 10 0.635 -15.709 -0.210 68 HB3 MET 10 3HB MET 10 0.569 -17.460 -0.063 69 HG2 MET 10 2HG MET 10 3.169 -17.272 -0.065 70 HG3 MET 10 3HG MET 10 2.849 -15.604 0.405 71 HE1 MET 10 3HE MET 10 3.534 -16.292 3.902 72 HE2 MET 10 1HE MET 10 4.483 -17.306 2.814 73 HE3 MET 10 2HE MET 10 4.065 -15.659 2.343 74 H GLN 11 H GLN 11 -0.305 -15.082 -2.756 75 HA GLN 11 HA GLN 11 -2.588 -16.684 -2.992 76 HB2 GLN 11 2HB GLN 11 -2.702 -14.247 -2.908 77 HB3 GLN 11 3HB GLN 11 -1.879 -14.137 -4.459 78 HG2 GLN 11 2HG GLN 11 -4.217 -15.809 -4.650 79 HG3 GLN 11 3HG GLN 11 -4.620 -14.219 -4.003 80 HE21 GLN 11 1HE2 GLN 11 -3.941 -16.018 -6.768 81 HE22 GLN 11 2HE2 GLN 11 -3.835 -14.714 -7.896 82 H MET 12 H MET 12 0.119 -16.236 -5.108 83 HA MET 12 HA MET 12 -1.247 -17.496 -7.353 84 HB2 MET 12 2HB MET 12 1.125 -15.835 -7.003 85 HB3 MET 12 3HB MET 12 1.418 -17.212 -8.057 86 HG2 MET 12 2HG MET 12 -0.453 -16.550 -9.464 87 HG3 MET 12 3HG MET 12 -0.781 -15.187 -8.397 88 HE1 MET 12 3HE MET 12 1.621 -15.006 -12.062 89 HE2 MET 12 1HE MET 12 1.325 -16.580 -11.323 90 HE3 MET 12 2HE MET 12 -0.028 -15.508 -11.684 91 H ALA 13 H ALA 13 0.928 -18.274 -4.787 92 HA ALA 13 HA ALA 13 2.204 -20.530 -5.858 93 HB1 ALA 13 1HB ALA 13 2.300 -21.216 -3.360 94 HB2 ALA 13 2HB ALA 13 3.146 -19.761 -3.889 95 HB3 ALA 13 3HB ALA 13 1.588 -19.628 -3.074 96 H TYR 14 H TYR 14 -0.926 -20.143 -4.288 97 HA TYR 14 HA TYR 14 -1.441 -23.007 -4.435 98 HB2 TYR 14 2HB TYR 14 -3.082 -22.681 -2.888 99 HB3 TYR 14 3HB TYR 14 -2.147 -21.227 -2.557 100 HD1 TYR 14 HD1 TYR 14 -2.850 -19.084 -3.831 101 HD2 TYR 14 HD2 TYR 14 -5.340 -22.510 -3.424 102 HE1 TYR 14 HE1 TYR 14 -4.825 -17.699 -4.314 103 HE2 TYR 14 HE2 TYR 14 -7.321 -21.135 -3.906 104 HH TYR 14 HH TYR 14 -7.296 -18.310 -5.335 105 H ARG 15 H ARG 15 -2.306 -20.033 -6.033 106 HA ARG 15 HA ARG 15 -4.612 -20.822 -7.383 107 HB2 ARG 15 2HB ARG 15 -2.880 -18.606 -7.408 108 HB3 ARG 15 3HB ARG 15 -2.951 -19.176 -9.070 109 HG2 ARG 15 2HG ARG 15 -5.588 -19.220 -8.255 110 HG3 ARG 15 3HG ARG 15 -4.934 -17.763 -7.503 111 HD2 ARG 15 2HD ARG 15 -5.251 -16.758 -9.467 112 HD3 ARG 15 3HD ARG 15 -3.890 -17.709 -10.060 113 HE ARG 15 HE ARG 15 -6.050 -19.351 -10.351 114 HH11 ARG 15 1HH1 ARG 15 -5.232 -16.143 -11.427 115 HH12 ARG 15 2HH1 ARG 15 -6.168 -16.250 -12.880 116 HH21 ARG 15 1HH2 ARG 15 -7.287 -19.505 -12.262 117 HH22 ARG 15 2HH2 ARG 15 -7.338 -18.162 -13.354 118 H PHE 16 H PHE 16 -1.345 -21.794 -7.820 119 HA PHE 16 HA PHE 16 -1.199 -22.463 -10.488 120 HB2 PHE 16 2HB PHE 16 -0.098 -23.969 -8.108 121 HB3 PHE 16 3HB PHE 16 0.376 -24.267 -9.777 122 HD1 PHE 16 HD1 PHE 16 0.136 -21.157 -10.390 123 HD2 PHE 16 HD2 PHE 16 2.237 -23.511 -7.535 124 HE1 PHE 16 HE1 PHE 16 1.854 -19.405 -10.216 125 HE2 PHE 16 HE2 PHE 16 3.958 -21.763 -7.354 126 HZ PHE 16 HZ PHE 16 3.768 -19.705 -8.695 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.191 0.486 -2.866 2 HA2 GLY 1 2HA GLY 1 0.765 -1.989 -2.564 3 HA3 GLY 1 3HA GLY 1 1.790 -1.533 -3.917 4 H ALA 2 H ALA 2 2.463 -1.919 -0.443 5 HA ALA 2 HA ALA 2 4.586 -3.827 -1.180 6 HB1 ALA 2 1HB ALA 2 5.265 -1.598 -0.169 7 HB2 ALA 2 2HB ALA 2 4.554 -2.184 1.336 8 HB3 ALA 2 3HB ALA 2 5.906 -3.048 0.605 9 H ALA 3 H ALA 3 1.844 -3.199 0.871 10 HA ALA 3 HA ALA 3 2.259 -5.467 2.585 11 HB1 ALA 3 1HB ALA 3 -0.062 -4.955 3.362 12 HB2 ALA 3 2HB ALA 3 1.071 -3.609 3.493 13 HB3 ALA 3 3HB ALA 3 -0.106 -3.646 2.180 14 H LEU 4 H LEU 4 0.626 -4.846 -0.425 15 HA LEU 4 HA LEU 4 -0.817 -7.368 -0.342 16 HB2 LEU 4 2HB LEU 4 -1.663 -6.678 -2.555 17 HB3 LEU 4 3HB LEU 4 -1.979 -5.497 -1.285 18 HG LEU 4 HG LEU 4 0.357 -4.561 -2.340 19 HD11 LEU 4 1HD1 LEU 4 -0.228 -4.531 -4.846 20 HD12 LEU 4 2HD1 LEU 4 -1.173 -5.976 -4.490 21 HD13 LEU 4 3HD1 LEU 4 0.563 -5.961 -4.182 22 HD21 LEU 4 3HD2 LEU 4 -1.422 -3.104 -1.855 23 HD22 LEU 4 1HD2 LEU 4 -2.517 -3.937 -2.959 24 HD23 LEU 4 2HD2 LEU 4 -1.184 -2.974 -3.598 25 H GLN 5 H GLN 5 2.203 -6.206 -1.360 26 HA GLN 5 HA GLN 5 2.630 -7.980 -3.555 27 HB2 GLN 5 2HB GLN 5 3.922 -5.771 -2.610 28 HB3 GLN 5 3HB GLN 5 5.000 -7.053 -2.075 29 HG2 GLN 5 2HG GLN 5 4.105 -7.290 -4.855 30 HG3 GLN 5 3HG GLN 5 5.086 -5.867 -4.508 31 HE21 GLN 5 1HE2 GLN 5 5.214 -8.974 -5.501 32 HE22 GLN 5 2HE2 GLN 5 6.838 -9.364 -5.059 33 H ILE 6 H ILE 6 2.641 -8.357 -0.171 34 HA ILE 6 HA ILE 6 4.502 -10.551 -0.075 35 HB ILE 6 HB ILE 6 2.740 -9.181 1.890 36 HG12 ILE 6 2HG1 ILE 6 5.440 -10.206 2.554 37 HG13 ILE 6 3HG1 ILE 6 5.364 -8.986 1.288 38 HG21 ILE 6 1HG2 ILE 6 2.052 -11.323 2.470 39 HG22 ILE 6 2HG2 ILE 6 3.621 -12.034 2.094 40 HG23 ILE 6 3HG2 ILE 6 3.426 -11.042 3.539 41 HD11 ILE 6 3HD1 ILE 6 5.724 -8.212 3.691 42 HD12 ILE 6 1HD1 ILE 6 4.503 -7.377 2.731 43 HD13 ILE 6 2HD1 ILE 6 4.016 -8.577 3.928 44 HA PRO 7 HA PRO 7 0.444 -13.116 0.485 45 HB2 PRO 7 2HB PRO 7 -1.907 -11.847 0.001 46 HB3 PRO 7 3HB PRO 7 -1.149 -11.888 1.597 47 HG2 PRO 7 2HG PRO 7 -1.105 -9.719 -0.465 48 HG3 PRO 7 3HG PRO 7 -1.322 -9.590 1.290 49 HD2 PRO 7 2HD PRO 7 1.043 -9.083 0.073 50 HD3 PRO 7 3HD PRO 7 0.938 -9.765 1.709 51 H PHE 8 H PHE 8 0.923 -10.810 -2.032 52 HA PHE 8 HA PHE 8 -0.720 -12.018 -4.014 53 HB2 PHE 8 2HB PHE 8 -0.067 -9.724 -4.302 54 HB3 PHE 8 3HB PHE 8 1.641 -10.143 -4.214 55 HD1 PHE 8 HD2 PHE 8 -1.126 -11.704 -6.151 56 HD2 PHE 8 HD1 PHE 8 2.553 -9.566 -6.255 57 HE1 PHE 8 HE2 PHE 8 -1.062 -11.939 -8.600 58 HE2 PHE 8 HE1 PHE 8 2.623 -9.798 -8.703 59 HZ PHE 8 HZ PHE 8 0.814 -10.987 -9.879 60 H ALA 9 H ALA 9 2.575 -12.501 -2.938 61 HA ALA 9 HA ALA 9 3.359 -14.140 -5.148 62 HB1 ALA 9 1HB ALA 9 4.748 -12.816 -3.270 63 HB2 ALA 9 2HB ALA 9 4.783 -14.440 -2.581 64 HB3 ALA 9 3HB ALA 9 5.411 -14.156 -4.205 65 H MET 10 H MET 10 1.896 -14.699 -2.019 66 HA MET 10 HA MET 10 2.224 -17.572 -2.194 67 HB2 MET 10 2HB MET 10 1.058 -15.683 -0.188 68 HB3 MET 10 3HB MET 10 0.617 -17.384 -0.122 69 HG2 MET 10 2HG MET 10 2.543 -17.934 0.823 70 HG3 MET 10 3HG MET 10 3.469 -17.051 -0.389 71 HE1 MET 10 3HE MET 10 2.736 -16.145 3.863 72 HE2 MET 10 1HE MET 10 2.553 -17.612 2.901 73 HE3 MET 10 2HE MET 10 4.162 -16.973 3.235 74 H GLN 11 H GLN 11 -0.254 -15.167 -2.765 75 HA GLN 11 HA GLN 11 -2.482 -16.876 -2.894 76 HB2 GLN 11 2HB GLN 11 -2.738 -14.465 -2.749 77 HB3 GLN 11 3HB GLN 11 -1.953 -14.258 -4.309 78 HG2 GLN 11 2HG GLN 11 -4.373 -15.966 -4.195 79 HG3 GLN 11 3HG GLN 11 -4.580 -14.223 -4.034 80 HE21 GLN 11 1HE2 GLN 11 -5.387 -16.067 -6.174 81 HE22 GLN 11 2HE2 GLN 11 -4.678 -15.442 -7.620 82 H MET 12 H MET 12 0.095 -16.252 -5.125 83 HA MET 12 HA MET 12 -1.314 -17.536 -7.330 84 HB2 MET 12 2HB MET 12 1.137 -15.898 -7.042 85 HB3 MET 12 3HB MET 12 1.167 -17.121 -8.304 86 HG2 MET 12 2HG MET 12 -0.999 -16.158 -9.139 87 HG3 MET 12 3HG MET 12 -0.750 -14.830 -8.007 88 HE1 MET 12 3HE MET 12 -1.186 -13.430 -9.940 89 HE2 MET 12 1HE MET 12 0.089 -12.793 -10.980 90 HE3 MET 12 2HE MET 12 -0.827 -14.215 -11.479 91 H ALA 13 H ALA 13 1.018 -18.254 -4.887 92 HA ALA 13 HA ALA 13 2.350 -20.422 -6.067 93 HB1 ALA 13 1HB ALA 13 1.775 -19.726 -3.200 94 HB2 ALA 13 2HB ALA 13 2.720 -21.142 -3.661 95 HB3 ALA 13 3HB ALA 13 3.280 -19.528 -4.097 96 H TYR 14 H TYR 14 -0.715 -20.222 -4.341 97 HA TYR 14 HA TYR 14 -1.096 -23.105 -4.525 98 HB2 TYR 14 2HB TYR 14 -2.674 -22.890 -2.894 99 HB3 TYR 14 3HB TYR 14 -1.796 -21.397 -2.577 100 HD1 TYR 14 HD1 TYR 14 -2.665 -19.269 -3.771 101 HD2 TYR 14 HD2 TYR 14 -4.961 -22.822 -3.318 102 HE1 TYR 14 HE1 TYR 14 -4.726 -17.976 -4.129 103 HE2 TYR 14 HE2 TYR 14 -7.028 -21.539 -3.676 104 HH TYR 14 HH TYR 14 -7.756 -19.462 -4.681 105 H ARG 15 H ARG 15 -2.182 -20.148 -6.016 106 HA ARG 15 HA ARG 15 -4.510 -21.025 -7.272 107 HB2 ARG 15 2HB ARG 15 -2.890 -18.726 -7.331 108 HB3 ARG 15 3HB ARG 15 -3.017 -19.266 -9.000 109 HG2 ARG 15 2HG ARG 15 -5.599 -19.463 -8.179 110 HG3 ARG 15 3HG ARG 15 -5.033 -18.077 -7.243 111 HD2 ARG 15 2HD ARG 15 -5.435 -16.860 -9.070 112 HD3 ARG 15 3HD ARG 15 -3.995 -17.614 -9.752 113 HE ARG 15 HE ARG 15 -6.376 -19.168 -10.130 114 HH11 ARG 15 1HH1 ARG 15 -4.450 -16.553 -11.385 115 HH12 ARG 15 2HH1 ARG 15 -5.036 -16.726 -13.006 116 HH21 ARG 15 1HH2 ARG 15 -7.155 -19.406 -12.261 117 HH22 ARG 15 2HH2 ARG 15 -6.575 -18.349 -13.503 118 H PHE 16 H PHE 16 -1.224 -21.823 -7.884 119 HA PHE 16 HA PHE 16 -1.175 -22.432 -10.570 120 HB2 PHE 16 2HB PHE 16 0.113 -23.926 -8.278 121 HB3 PHE 16 3HB PHE 16 0.519 -24.169 -9.974 122 HD1 PHE 16 HD1 PHE 16 0.096 -21.063 -10.508 123 HD2 PHE 16 HD2 PHE 16 2.449 -23.363 -7.807 124 HE1 PHE 16 HE1 PHE 16 1.733 -19.231 -10.378 125 HE2 PHE 16 HE2 PHE 16 4.088 -21.534 -7.672 126 HZ PHE 16 HZ PHE 16 3.731 -19.464 -8.958 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.167 -0.620 -2.002 2 HA2 GLY 1 2HA GLY 1 1.246 -2.269 -3.869 3 HA3 GLY 1 3HA GLY 1 2.051 -0.805 -3.325 4 H ALA 2 H ALA 2 2.716 -1.510 -0.728 5 HA ALA 2 HA ALA 2 4.835 -3.455 -1.254 6 HB1 ALA 2 1HB ALA 2 4.595 -1.763 1.213 7 HB2 ALA 2 2HB ALA 2 6.039 -2.488 0.505 8 HB3 ALA 2 3HB ALA 2 5.256 -1.125 -0.293 9 H ALA 3 H ALA 3 1.942 -3.035 0.607 10 HA ALA 3 HA ALA 3 2.517 -5.264 2.374 11 HB1 ALA 3 1HB ALA 3 1.322 -3.605 3.475 12 HB2 ALA 3 2HB ALA 3 0.241 -3.336 2.107 13 HB3 ALA 3 3HB ALA 3 0.081 -4.796 3.084 14 H LEU 4 H LEU 4 0.870 -4.662 -0.611 15 HA LEU 4 HA LEU 4 -0.598 -7.169 -0.512 16 HB2 LEU 4 2HB LEU 4 -1.259 -4.842 -1.604 17 HB3 LEU 4 3HB LEU 4 -0.424 -5.541 -2.990 18 HG LEU 4 HG LEU 4 -2.014 -7.555 -2.625 19 HD11 LEU 4 1HD1 LEU 4 -4.066 -7.133 -1.542 20 HD12 LEU 4 2HD1 LEU 4 -3.701 -5.419 -1.349 21 HD13 LEU 4 3HD1 LEU 4 -2.810 -6.620 -0.415 22 HD21 LEU 4 3HD2 LEU 4 -3.554 -6.636 -4.163 23 HD22 LEU 4 1HD2 LEU 4 -2.008 -5.854 -4.498 24 HD23 LEU 4 2HD2 LEU 4 -3.256 -4.992 -3.597 25 H GLN 5 H GLN 5 2.440 -6.047 -1.522 26 HA GLN 5 HA GLN 5 2.864 -7.846 -3.696 27 HB2 GLN 5 2HB GLN 5 4.128 -5.685 -3.225 28 HB3 GLN 5 3HB GLN 5 5.007 -6.583 -1.994 29 HG2 GLN 5 2HG GLN 5 4.961 -7.937 -4.567 30 HG3 GLN 5 3HG GLN 5 5.709 -6.342 -4.635 31 HE21 GLN 5 1HE2 GLN 5 6.427 -9.452 -4.352 32 HE22 GLN 5 2HE2 GLN 5 7.843 -9.374 -3.366 33 H ILE 6 H ILE 6 2.849 -8.191 -0.309 34 HA ILE 6 HA ILE 6 4.685 -10.404 -0.181 35 HB ILE 6 HB ILE 6 2.926 -8.996 1.760 36 HG12 ILE 6 2HG1 ILE 6 5.317 -8.404 1.403 37 HG13 ILE 6 3HG1 ILE 6 4.970 -8.895 3.058 38 HG21 ILE 6 1HG2 ILE 6 3.582 -10.848 3.431 39 HG22 ILE 6 2HG2 ILE 6 2.211 -11.123 2.358 40 HG23 ILE 6 3HG2 ILE 6 3.774 -11.857 1.998 41 HD11 ILE 6 3HD1 ILE 6 7.019 -9.824 1.517 42 HD12 ILE 6 1HD1 ILE 6 6.370 -10.621 2.950 43 HD13 ILE 6 2HD1 ILE 6 5.811 -11.097 1.346 44 HA PRO 7 HA PRO 7 0.597 -12.920 0.379 45 HB2 PRO 7 2HB PRO 7 -1.737 -11.631 -0.131 46 HB3 PRO 7 3HB PRO 7 -0.989 -11.665 1.470 47 HG2 PRO 7 2HG PRO 7 -0.910 -9.516 -0.613 48 HG3 PRO 7 3HG PRO 7 -1.136 -9.368 1.140 49 HD2 PRO 7 2HD PRO 7 1.242 -8.897 -0.067 50 HD3 PRO 7 3HD PRO 7 1.119 -9.563 1.574 51 H PHE 8 H PHE 8 1.117 -10.644 -2.157 52 HA PHE 8 HA PHE 8 -0.531 -11.830 -4.140 53 HB2 PHE 8 2HB PHE 8 0.194 -9.565 -4.456 54 HB3 PHE 8 3HB PHE 8 1.887 -10.031 -4.334 55 HD1 PHE 8 HD2 PHE 8 -0.917 -11.491 -6.302 56 HD2 PHE 8 HD1 PHE 8 2.874 -9.558 -6.360 57 HE1 PHE 8 HE2 PHE 8 -0.821 -11.763 -8.745 58 HE2 PHE 8 HE1 PHE 8 2.977 -9.826 -8.804 59 HZ PHE 8 HZ PHE 8 1.128 -10.930 -9.999 60 H ALA 9 H ALA 9 2.737 -12.406 -3.031 61 HA ALA 9 HA ALA 9 3.486 -14.097 -5.214 62 HB1 ALA 9 1HB ALA 9 4.687 -13.255 -2.649 63 HB2 ALA 9 2HB ALA 9 5.235 -14.796 -3.311 64 HB3 ALA 9 3HB ALA 9 5.388 -13.322 -4.267 65 H MET 10 H MET 10 1.932 -14.560 -2.123 66 HA MET 10 HA MET 10 2.191 -17.446 -2.236 67 HB2 MET 10 2HB MET 10 1.104 -15.475 -0.281 68 HB3 MET 10 3HB MET 10 0.502 -17.126 -0.212 69 HG2 MET 10 2HG MET 10 2.312 -17.796 0.860 70 HG3 MET 10 3HG MET 10 3.352 -17.157 -0.412 71 HE1 MET 10 3HE MET 10 2.405 -15.405 3.654 72 HE2 MET 10 1HE MET 10 1.057 -15.293 2.521 73 HE3 MET 10 2HE MET 10 1.761 -16.865 2.901 74 H GLN 11 H GLN 11 -0.214 -14.982 -2.881 75 HA GLN 11 HA GLN 11 -2.484 -16.623 -3.034 76 HB2 GLN 11 2HB GLN 11 -2.701 -14.219 -2.941 77 HB3 GLN 11 3HB GLN 11 -1.830 -14.041 -4.459 78 HG2 GLN 11 2HG GLN 11 -4.171 -15.757 -4.677 79 HG3 GLN 11 3HG GLN 11 -4.551 -14.115 -4.161 80 HE21 GLN 11 1HE2 GLN 11 -4.507 -15.942 -6.765 81 HE22 GLN 11 2HE2 GLN 11 -4.056 -14.796 -7.977 82 H MET 12 H MET 12 0.156 -16.125 -5.222 83 HA MET 12 HA MET 12 -1.247 -17.411 -7.430 84 HB2 MET 12 2HB MET 12 1.066 -15.677 -7.153 85 HB3 MET 12 3HB MET 12 1.419 -17.069 -8.168 86 HG2 MET 12 2HG MET 12 -0.672 -16.502 -9.459 87 HG3 MET 12 3HG MET 12 -0.706 -14.986 -8.561 88 HE1 MET 12 3HE MET 12 2.903 -14.800 -8.601 89 HE2 MET 12 1HE MET 12 2.665 -13.349 -9.575 90 HE3 MET 12 2HE MET 12 1.580 -13.694 -8.228 91 H ALA 13 H ALA 13 1.011 -18.149 -4.924 92 HA ALA 13 HA ALA 13 2.300 -20.380 -6.030 93 HB1 ALA 13 1HB ALA 13 2.709 -21.044 -3.668 94 HB2 ALA 13 2HB ALA 13 3.143 -19.372 -4.025 95 HB3 ALA 13 3HB ALA 13 1.648 -19.730 -3.161 96 H TYR 14 H TYR 14 -0.793 -20.052 -4.376 97 HA TYR 14 HA TYR 14 -1.258 -22.926 -4.511 98 HB2 TYR 14 2HB TYR 14 -2.862 -22.630 -2.920 99 HB3 TYR 14 3HB TYR 14 -1.946 -21.159 -2.613 100 HD1 TYR 14 HD1 TYR 14 -2.724 -19.029 -3.866 101 HD2 TYR 14 HD2 TYR 14 -5.137 -22.501 -3.394 102 HE1 TYR 14 HE1 TYR 14 -4.736 -17.681 -4.294 103 HE2 TYR 14 HE2 TYR 14 -7.156 -21.164 -3.822 104 HH TYR 14 HH TYR 14 -7.969 -19.158 -4.296 105 H ARG 15 H ARG 15 -2.223 -19.968 -6.083 106 HA ARG 15 HA ARG 15 -4.549 -20.799 -7.370 107 HB2 ARG 15 2HB ARG 15 -2.860 -18.552 -7.440 108 HB3 ARG 15 3HB ARG 15 -2.964 -19.122 -9.100 109 HG2 ARG 15 2HG ARG 15 -5.398 -18.676 -7.403 110 HG3 ARG 15 3HG ARG 15 -4.664 -17.396 -8.370 111 HD2 ARG 15 2HD ARG 15 -4.932 -19.699 -10.009 112 HD3 ARG 15 3HD ARG 15 -6.470 -19.433 -9.189 113 HE ARG 15 HE ARG 15 -5.335 -17.065 -10.375 114 HH11 ARG 15 1HH1 ARG 15 -7.370 -19.846 -10.870 115 HH12 ARG 15 2HH1 ARG 15 -8.251 -19.131 -12.180 116 HH21 ARG 15 1HH2 ARG 15 -6.487 -16.113 -12.098 117 HH22 ARG 15 2HH2 ARG 15 -7.747 -17.008 -12.878 118 H PHE 16 H PHE 16 -1.278 -21.709 -7.897 119 HA PHE 16 HA PHE 16 -1.191 -22.376 -10.568 120 HB2 PHE 16 2HB PHE 16 0.001 -23.861 -8.220 121 HB3 PHE 16 3HB PHE 16 0.435 -24.151 -9.901 122 HD1 PHE 16 HD2 PHE 16 0.121 -21.045 -10.505 123 HD2 PHE 16 HD1 PHE 16 2.342 -23.361 -7.708 124 HE1 PHE 16 HE2 PHE 16 1.811 -19.261 -10.375 125 HE2 PHE 16 HE1 PHE 16 4.034 -21.580 -7.573 126 HZ PHE 16 HZ PHE 16 3.771 -19.528 -8.908 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.296 0.522 -3.838 2 HA2 GLY 1 2HA GLY 1 0.937 -1.400 -2.248 3 HA3 GLY 1 3HA GLY 1 1.468 -1.621 -3.909 4 H ALA 2 H ALA 2 2.558 -1.705 -0.545 5 HA ALA 2 HA ALA 2 4.670 -3.592 -1.363 6 HB1 ALA 2 1HB ALA 2 5.343 -2.748 1.175 7 HB2 ALA 2 2HB ALA 2 6.047 -2.171 -0.336 8 HB3 ALA 2 3HB ALA 2 4.713 -1.290 0.408 9 H ALA 3 H ALA 3 1.946 -3.024 0.711 10 HA ALA 3 HA ALA 3 2.409 -5.294 2.413 11 HB1 ALA 3 1HB ALA 3 1.077 -4.003 3.652 12 HB2 ALA 3 2HB ALA 3 0.483 -3.119 2.246 13 HB3 ALA 3 3HB ALA 3 -0.251 -4.658 2.694 14 H LEU 4 H LEU 4 0.835 -4.707 -0.616 15 HA LEU 4 HA LEU 4 -0.643 -7.209 -0.532 16 HB2 LEU 4 2HB LEU 4 -0.372 -5.128 -2.696 17 HB3 LEU 4 3HB LEU 4 -1.413 -6.547 -2.783 18 HG LEU 4 HG LEU 4 -1.920 -4.902 -0.428 19 HD11 LEU 4 1HD1 LEU 4 -1.595 -2.941 -1.520 20 HD12 LEU 4 2HD1 LEU 4 -3.224 -3.292 -2.094 21 HD13 LEU 4 3HD1 LEU 4 -1.833 -3.657 -3.114 22 HD21 LEU 4 3HD2 LEU 4 -4.253 -5.058 -1.509 23 HD22 LEU 4 1HD2 LEU 4 -3.502 -6.537 -0.909 24 HD23 LEU 4 2HD2 LEU 4 -3.490 -6.181 -2.637 25 H GLN 5 H GLN 5 2.420 -6.103 -1.482 26 HA GLN 5 HA GLN 5 2.886 -7.918 -3.635 27 HB2 GLN 5 2HB GLN 5 4.239 -5.748 -2.479 28 HB3 GLN 5 3HB GLN 5 5.302 -7.132 -2.259 29 HG2 GLN 5 2HG GLN 5 4.101 -6.318 -4.894 30 HG3 GLN 5 3HG GLN 5 5.710 -5.854 -4.342 31 HE21 GLN 5 1HE2 GLN 5 4.489 -7.666 -6.524 32 HE22 GLN 5 2HE2 GLN 5 5.457 -9.093 -6.429 33 H ILE 6 H ILE 6 2.796 -8.239 -0.246 34 HA ILE 6 HA ILE 6 4.623 -10.456 -0.062 35 HB ILE 6 HB ILE 6 2.825 -9.030 1.830 36 HG12 ILE 6 2HG1 ILE 6 5.224 -8.446 1.521 37 HG13 ILE 6 3HG1 ILE 6 4.840 -8.924 3.171 38 HG21 ILE 6 1HG2 ILE 6 2.092 -11.153 2.424 39 HG22 ILE 6 2HG2 ILE 6 3.661 -11.891 2.105 40 HG23 ILE 6 3HG2 ILE 6 3.439 -10.873 3.527 41 HD11 ILE 6 3HD1 ILE 6 6.291 -10.598 3.112 42 HD12 ILE 6 1HD1 ILE 6 5.682 -11.175 1.561 43 HD13 ILE 6 2HD1 ILE 6 6.894 -9.894 1.612 44 HA PRO 7 HA PRO 7 0.516 -12.957 0.424 45 HB2 PRO 7 2HB PRO 7 -1.803 -11.666 -0.147 46 HB3 PRO 7 3HB PRO 7 -1.090 -11.691 1.470 47 HG2 PRO 7 2HG PRO 7 -0.959 -9.556 -0.625 48 HG3 PRO 7 3HG PRO 7 -1.223 -9.395 1.122 49 HD2 PRO 7 2HD PRO 7 1.182 -8.939 -0.036 50 HD3 PRO 7 3HD PRO 7 1.021 -9.593 1.607 51 H PHE 8 H PHE 8 1.099 -10.700 -2.116 52 HA PHE 8 HA PHE 8 -0.510 -11.884 -4.128 53 HB2 PHE 8 2HB PHE 8 0.258 -9.631 -4.440 54 HB3 PHE 8 3HB PHE 8 1.940 -10.124 -4.282 55 HD1 PHE 8 HD2 PHE 8 -0.850 -11.550 -6.295 56 HD2 PHE 8 HD1 PHE 8 2.975 -9.682 -6.291 57 HE1 PHE 8 HE2 PHE 8 -0.710 -11.840 -8.734 58 HE2 PHE 8 HE1 PHE 8 3.120 -9.968 -8.731 59 HZ PHE 8 HZ PHE 8 1.277 -11.049 -9.955 60 H ALA 9 H ALA 9 2.723 -12.497 -2.939 61 HA ALA 9 HA ALA 9 3.471 -14.238 -5.092 62 HB1 ALA 9 1HB ALA 9 5.361 -14.845 -3.535 63 HB2 ALA 9 2HB ALA 9 5.241 -13.140 -3.969 64 HB3 ALA 9 3HB ALA 9 4.678 -13.690 -2.391 65 H MET 10 H MET 10 1.904 -14.600 -1.997 66 HA MET 10 HA MET 10 2.154 -17.488 -2.012 67 HB2 MET 10 2HB MET 10 1.251 -15.431 -0.111 68 HB3 MET 10 3HB MET 10 0.337 -16.932 -0.051 69 HG2 MET 10 2HG MET 10 2.462 -18.165 0.228 70 HG3 MET 10 3HG MET 10 3.309 -16.621 0.286 71 HE1 MET 10 3HE MET 10 1.125 -19.133 1.707 72 HE2 MET 10 1HE MET 10 2.324 -19.267 2.993 73 HE3 MET 10 2HE MET 10 0.711 -18.654 3.354 74 H GLN 11 H GLN 11 -0.203 -15.046 -2.831 75 HA GLN 11 HA GLN 11 -2.483 -16.705 -2.940 76 HB2 GLN 11 2HB GLN 11 -2.742 -14.312 -2.885 77 HB3 GLN 11 3HB GLN 11 -1.823 -14.130 -4.373 78 HG2 GLN 11 2HG GLN 11 -4.106 -15.881 -4.709 79 HG3 GLN 11 3HG GLN 11 -4.567 -14.279 -4.135 80 HE21 GLN 11 1HE2 GLN 11 -3.470 -16.143 -6.774 81 HE22 GLN 11 2HE2 GLN 11 -3.380 -14.867 -7.935 82 H MET 12 H MET 12 0.177 -16.215 -5.108 83 HA MET 12 HA MET 12 -1.191 -17.546 -7.311 84 HB2 MET 12 2HB MET 12 1.168 -15.840 -7.018 85 HB3 MET 12 3HB MET 12 1.429 -17.205 -8.096 86 HG2 MET 12 2HG MET 12 -0.679 -16.513 -9.289 87 HG3 MET 12 3HG MET 12 -0.631 -15.035 -8.331 88 HE1 MET 12 3HE MET 12 -0.249 -16.191 -11.573 89 HE2 MET 12 1HE MET 12 -0.680 -14.488 -11.407 90 HE3 MET 12 2HE MET 12 0.766 -14.948 -12.307 91 H ALA 13 H ALA 13 1.046 -18.227 -4.771 92 HA ALA 13 HA ALA 13 2.367 -20.461 -5.832 93 HB1 ALA 13 1HB ALA 13 3.408 -19.894 -3.918 94 HB2 ALA 13 2HB ALA 13 1.923 -19.330 -3.152 95 HB3 ALA 13 3HB ALA 13 2.290 -21.054 -3.202 96 H TYR 14 H TYR 14 -0.745 -20.138 -4.213 97 HA TYR 14 HA TYR 14 -1.183 -23.017 -4.310 98 HB2 TYR 14 2HB TYR 14 -2.806 -22.712 -2.739 99 HB3 TYR 14 3HB TYR 14 -1.906 -21.228 -2.445 100 HD1 TYR 14 HD1 TYR 14 -2.690 -19.125 -3.739 101 HD2 TYR 14 HD2 TYR 14 -5.077 -22.611 -3.237 102 HE1 TYR 14 HE1 TYR 14 -4.709 -17.802 -4.206 103 HE2 TYR 14 HE2 TYR 14 -7.103 -21.298 -3.704 104 HH TYR 14 HH TYR 14 -7.826 -19.299 -4.642 105 H ARG 15 H ARG 15 -2.158 -20.092 -5.936 106 HA ARG 15 HA ARG 15 -4.464 -20.964 -7.233 107 HB2 ARG 15 2HB ARG 15 -2.793 -18.702 -7.321 108 HB3 ARG 15 3HB ARG 15 -2.879 -19.298 -8.973 109 HG2 ARG 15 2HG ARG 15 -5.464 -19.404 -8.407 110 HG3 ARG 15 3HG ARG 15 -5.001 -18.151 -7.254 111 HD2 ARG 15 2HD ARG 15 -4.779 -16.628 -8.866 112 HD3 ARG 15 3HD ARG 15 -3.806 -17.716 -9.855 113 HE ARG 15 HE ARG 15 -6.622 -18.307 -9.889 114 HH11 ARG 15 1HH1 ARG 15 -4.060 -16.443 -11.331 115 HH12 ARG 15 2HH1 ARG 15 -4.888 -16.226 -12.837 116 HH21 ARG 15 1HH2 ARG 15 -7.722 -18.030 -11.867 117 HH22 ARG 15 2HH2 ARG 15 -6.972 -17.129 -13.141 118 H PHE 16 H PHE 16 -1.180 -21.851 -7.714 119 HA PHE 16 HA PHE 16 -1.061 -22.556 -10.374 120 HB2 PHE 16 2HB PHE 16 0.122 -23.996 -7.992 121 HB3 PHE 16 3HB PHE 16 0.575 -24.306 -9.664 122 HD1 PHE 16 HD2 PHE 16 0.240 -21.213 -10.319 123 HD2 PHE 16 HD1 PHE 16 2.452 -23.466 -7.465 124 HE1 PHE 16 HE2 PHE 16 1.912 -19.413 -10.199 125 HE2 PHE 16 HE1 PHE 16 4.127 -21.669 -7.339 126 HZ PHE 16 HZ PHE 16 3.859 -19.639 -8.708 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.102 -2.170 -2.574 2 HA2 GLY 1 2HA GLY 1 2.514 -1.418 -4.049 3 HA3 GLY 1 3HA GLY 1 2.092 -0.908 -2.421 4 H ALA 2 H ALA 2 3.376 -1.712 -0.914 5 HA ALA 2 HA ALA 2 4.949 -4.094 -1.467 6 HB1 ALA 2 1HB ALA 2 6.465 -2.940 -0.330 7 HB2 ALA 2 2HB ALA 2 5.261 -1.747 0.158 8 HB3 ALA 2 3HB ALA 2 5.506 -3.200 1.127 9 H ALA 3 H ALA 3 2.217 -3.118 0.440 10 HA ALA 3 HA ALA 3 2.275 -5.321 2.259 11 HB1 ALA 3 1HB ALA 3 -0.113 -4.606 2.706 12 HB2 ALA 3 2HB ALA 3 1.134 -3.394 2.998 13 HB3 ALA 3 3HB ALA 3 0.156 -3.317 1.533 14 H LEU 4 H LEU 4 1.017 -4.796 -0.936 15 HA LEU 4 HA LEU 4 -0.631 -7.190 -0.856 16 HB2 LEU 4 2HB LEU 4 -0.045 -5.252 -3.089 17 HB3 LEU 4 3HB LEU 4 -1.174 -6.602 -3.191 18 HG LEU 4 HG LEU 4 -1.480 -4.309 -1.258 19 HD11 LEU 4 1HD1 LEU 4 -3.463 -4.031 -3.111 20 HD12 LEU 4 2HD1 LEU 4 -2.090 -4.504 -4.111 21 HD13 LEU 4 3HD1 LEU 4 -1.973 -3.088 -3.066 22 HD21 LEU 4 3HD2 LEU 4 -3.936 -5.296 -1.617 23 HD22 LEU 4 1HD2 LEU 4 -2.837 -5.892 -0.372 24 HD23 LEU 4 2HD2 LEU 4 -3.001 -6.766 -1.896 25 H GLN 5 H GLN 5 2.567 -6.336 -1.599 26 HA GLN 5 HA GLN 5 3.078 -8.290 -3.616 27 HB2 GLN 5 2HB GLN 5 4.485 -6.158 -2.436 28 HB3 GLN 5 3HB GLN 5 5.431 -7.601 -2.098 29 HG2 GLN 5 2HG GLN 5 5.090 -8.094 -4.626 30 HG3 GLN 5 3HG GLN 5 4.728 -6.371 -4.722 31 HE21 GLN 5 1HE2 GLN 5 6.928 -7.781 -5.917 32 HE22 GLN 5 2HE2 GLN 5 8.376 -7.093 -5.273 33 H ILE 6 H ILE 6 2.695 -8.423 -0.235 34 HA ILE 6 HA ILE 6 4.345 -10.739 0.207 35 HB ILE 6 HB ILE 6 2.504 -9.101 1.871 36 HG12 ILE 6 2HG1 ILE 6 4.836 -10.100 3.199 37 HG13 ILE 6 3HG1 ILE 6 5.297 -9.530 1.599 38 HG21 ILE 6 1HG2 ILE 6 2.851 -10.886 3.701 39 HG22 ILE 6 2HG2 ILE 6 1.580 -11.136 2.505 40 HG23 ILE 6 3HG2 ILE 6 3.114 -11.992 2.354 41 HD11 ILE 6 3HD1 ILE 6 3.893 -7.963 3.746 42 HD12 ILE 6 1HD1 ILE 6 5.544 -7.744 3.166 43 HD13 ILE 6 2HD1 ILE 6 4.181 -7.378 2.108 44 HA PRO 7 HA PRO 7 0.051 -12.942 0.468 45 HB2 PRO 7 2HB PRO 7 -2.121 -11.536 -0.356 46 HB3 PRO 7 3HB PRO 7 -1.544 -11.520 1.315 47 HG2 PRO 7 2HG PRO 7 -1.099 -9.514 -0.862 48 HG3 PRO 7 3HG PRO 7 -1.491 -9.243 0.846 49 HD2 PRO 7 2HD PRO 7 1.025 -9.005 -0.126 50 HD3 PRO 7 3HD PRO 7 0.689 -9.559 1.527 51 H PHE 8 H PHE 8 1.018 -10.886 -2.116 52 HA PHE 8 HA PHE 8 -0.510 -12.084 -4.195 53 HB2 PHE 8 2HB PHE 8 0.400 -9.879 -4.532 54 HB3 PHE 8 3HB PHE 8 2.038 -10.461 -4.252 55 HD1 PHE 8 HD2 PHE 8 -0.693 -11.853 -6.361 56 HD2 PHE 8 HD1 PHE 8 3.194 -10.125 -6.222 57 HE1 PHE 8 HE2 PHE 8 -0.431 -12.258 -8.774 58 HE2 PHE 8 HE1 PHE 8 3.462 -10.526 -8.634 59 HZ PHE 8 HZ PHE 8 1.649 -11.595 -9.913 60 H ALA 9 H ALA 9 2.596 -12.766 -2.728 61 HA ALA 9 HA ALA 9 3.368 -14.692 -4.725 62 HB1 ALA 9 1HB ALA 9 5.218 -13.711 -3.760 63 HB2 ALA 9 2HB ALA 9 4.526 -13.752 -2.137 64 HB3 ALA 9 3HB ALA 9 5.121 -15.237 -2.880 65 H MET 10 H MET 10 1.550 -14.705 -1.790 66 HA MET 10 HA MET 10 1.758 -17.594 -1.479 67 HB2 MET 10 2HB MET 10 1.436 -15.549 0.329 68 HB3 MET 10 3HB MET 10 -0.197 -16.187 0.191 69 HG2 MET 10 2HG MET 10 0.446 -17.633 1.757 70 HG3 MET 10 3HG MET 10 1.258 -18.469 0.436 71 HE1 MET 10 3HE MET 10 3.633 -17.122 -0.406 72 HE2 MET 10 1HE MET 10 4.932 -17.371 0.761 73 HE3 MET 10 2HE MET 10 3.913 -18.726 0.274 74 H GLN 11 H GLN 11 -0.445 -15.177 -2.674 75 HA GLN 11 HA GLN 11 -2.713 -16.937 -2.804 76 HB2 GLN 11 2HB GLN 11 -3.878 -15.128 -3.798 77 HB3 GLN 11 3HB GLN 11 -2.822 -14.417 -2.585 78 HG2 GLN 11 2HG GLN 11 -2.287 -12.997 -4.225 79 HG3 GLN 11 3HG GLN 11 -1.226 -14.300 -4.758 80 HE21 GLN 11 1HE2 GLN 11 -3.790 -12.286 -5.579 81 HE22 GLN 11 2HE2 GLN 11 -4.247 -13.049 -7.060 82 H MET 12 H MET 12 -0.068 -16.067 -4.880 83 HA MET 12 HA MET 12 -1.310 -17.315 -7.203 84 HB2 MET 12 2HB MET 12 1.047 -15.576 -6.732 85 HB3 MET 12 3HB MET 12 1.160 -16.710 -8.071 86 HG2 MET 12 2HG MET 12 -1.263 -15.680 -8.563 87 HG3 MET 12 3HG MET 12 -0.514 -14.306 -7.753 88 HE1 MET 12 3HE MET 12 -1.366 -13.575 -10.613 89 HE2 MET 12 1HE MET 12 -0.495 -14.344 -11.939 90 HE3 MET 12 2HE MET 12 -1.534 -15.309 -10.891 91 H ALA 13 H ALA 13 0.962 -18.020 -4.700 92 HA ALA 13 HA ALA 13 2.464 -20.048 -5.927 93 HB1 ALA 13 1HB ALA 13 1.794 -19.388 -3.090 94 HB2 ALA 13 2HB ALA 13 2.655 -20.879 -3.473 95 HB3 ALA 13 3HB ALA 13 3.349 -19.321 -3.920 96 H TYR 14 H TYR 14 -0.669 -20.107 -4.319 97 HA TYR 14 HA TYR 14 -0.873 -22.994 -4.650 98 HB2 TYR 14 2HB TYR 14 -2.521 -22.948 -3.076 99 HB3 TYR 14 3HB TYR 14 -1.746 -21.425 -2.657 100 HD1 TYR 14 HD1 TYR 14 -2.693 -19.295 -3.787 101 HD2 TYR 14 HD2 TYR 14 -4.790 -22.992 -3.589 102 HE1 TYR 14 HE1 TYR 14 -4.812 -18.106 -4.169 103 HE2 TYR 14 HE2 TYR 14 -6.915 -21.814 -3.973 104 HH TYR 14 HH TYR 14 -7.676 -19.189 -3.487 105 H ARG 15 H ARG 15 -2.074 -20.036 -6.048 106 HA ARG 15 HA ARG 15 -4.296 -20.984 -7.435 107 HB2 ARG 15 2HB ARG 15 -2.808 -18.596 -7.328 108 HB3 ARG 15 3HB ARG 15 -2.851 -19.062 -9.023 109 HG2 ARG 15 2HG ARG 15 -5.309 -18.895 -7.302 110 HG3 ARG 15 3HG ARG 15 -4.697 -17.544 -8.258 111 HD2 ARG 15 2HD ARG 15 -4.747 -19.681 -10.029 112 HD3 ARG 15 3HD ARG 15 -6.225 -19.862 -9.085 113 HE ARG 15 HE ARG 15 -5.884 -17.181 -9.956 114 HH11 ARG 15 1HH1 ARG 15 -6.833 -20.348 -11.045 115 HH12 ARG 15 2HH1 ARG 15 -7.862 -19.750 -12.304 116 HH21 ARG 15 1HH2 ARG 15 -7.235 -16.380 -11.610 117 HH22 ARG 15 2HH2 ARG 15 -8.089 -17.493 -12.625 118 H PHE 16 H PHE 16 -0.949 -21.562 -7.950 119 HA PHE 16 HA PHE 16 -0.761 -22.038 -10.657 120 HB2 PHE 16 2HB PHE 16 0.525 -23.564 -8.384 121 HB3 PHE 16 3HB PHE 16 1.008 -23.702 -10.072 122 HD1 PHE 16 HD1 PHE 16 0.424 -20.604 -10.482 123 HD2 PHE 16 HD2 PHE 16 2.803 -22.891 -7.793 124 HE1 PHE 16 HE1 PHE 16 1.944 -18.689 -10.202 125 HE2 PHE 16 HE2 PHE 16 4.325 -20.980 -7.509 126 HZ PHE 16 HZ PHE 16 3.896 -18.875 -8.713 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.011 0.057 -4.319 2 HA2 GLY 1 2HA GLY 1 0.684 -1.546 -2.548 3 HA3 GLY 1 3HA GLY 1 1.043 -2.030 -4.199 4 H ALA 2 H ALA 2 3.184 -1.519 -1.407 5 HA ALA 2 HA ALA 2 4.621 -3.933 -1.977 6 HB1 ALA 2 1HB ALA 2 6.140 -3.255 -0.380 7 HB2 ALA 2 2HB ALA 2 5.467 -1.713 -0.910 8 HB3 ALA 2 3HB ALA 2 4.914 -2.445 0.596 9 H ALA 3 H ALA 3 2.064 -2.991 0.202 10 HA ALA 3 HA ALA 3 2.263 -5.200 1.975 11 HB1 ALA 3 1HB ALA 3 1.073 -3.036 2.436 12 HB2 ALA 3 2HB ALA 3 -0.223 -3.609 1.384 13 HB3 ALA 3 3HB ALA 3 0.173 -4.494 2.857 14 H LEU 4 H LEU 4 0.833 -4.751 -1.154 15 HA LEU 4 HA LEU 4 -0.744 -7.186 -0.968 16 HB2 LEU 4 2HB LEU 4 -0.474 -4.961 -2.915 17 HB3 LEU 4 3HB LEU 4 -1.018 -6.523 -3.523 18 HG LEU 4 HG LEU 4 -2.405 -5.294 -1.180 19 HD11 LEU 4 1HD1 LEU 4 -3.287 -3.607 -2.317 20 HD12 LEU 4 2HD1 LEU 4 -3.714 -4.662 -3.663 21 HD13 LEU 4 3HD1 LEU 4 -2.113 -3.926 -3.594 22 HD21 LEU 4 3HD2 LEU 4 -3.599 -6.812 -3.470 23 HD22 LEU 4 1HD2 LEU 4 -4.189 -6.641 -1.816 24 HD23 LEU 4 2HD2 LEU 4 -2.783 -7.652 -2.151 25 H GLN 5 H GLN 5 2.391 -6.257 -1.871 26 HA GLN 5 HA GLN 5 2.860 -8.223 -3.886 27 HB2 GLN 5 2HB GLN 5 4.199 -6.126 -3.596 28 HB3 GLN 5 3HB GLN 5 4.895 -6.829 -2.142 29 HG2 GLN 5 2HG GLN 5 5.166 -8.682 -4.292 30 HG3 GLN 5 3HG GLN 5 5.764 -7.105 -4.804 31 HE21 GLN 5 1HE2 GLN 5 6.475 -9.925 -3.150 32 HE22 GLN 5 2HE2 GLN 5 7.929 -9.411 -2.371 33 H ILE 6 H ILE 6 2.640 -8.322 -0.490 34 HA ILE 6 HA ILE 6 4.372 -10.587 -0.099 35 HB ILE 6 HB ILE 6 2.567 -8.977 1.631 36 HG12 ILE 6 2HG1 ILE 6 4.880 -9.736 2.991 37 HG13 ILE 6 3HG1 ILE 6 5.401 -9.544 1.321 38 HG21 ILE 6 1HG2 ILE 6 3.280 -11.844 2.118 39 HG22 ILE 6 2HG2 ILE 6 3.050 -10.728 3.463 40 HG23 ILE 6 3HG2 ILE 6 1.731 -11.029 2.332 41 HD11 ILE 6 3HD1 ILE 6 4.811 -7.549 3.288 42 HD12 ILE 6 1HD1 ILE 6 5.544 -7.372 1.694 43 HD13 ILE 6 2HD1 ILE 6 3.789 -7.330 1.868 44 HA PRO 7 HA PRO 7 0.157 -12.900 0.392 45 HB2 PRO 7 2HB PRO 7 -2.089 -11.564 -0.346 46 HB3 PRO 7 3HB PRO 7 -1.434 -11.511 1.296 47 HG2 PRO 7 2HG PRO 7 -1.147 -9.522 -0.924 48 HG3 PRO 7 3HG PRO 7 -1.466 -9.239 0.797 49 HD2 PRO 7 2HD PRO 7 0.994 -8.947 -0.296 50 HD3 PRO 7 3HD PRO 7 0.751 -9.487 1.378 51 H PHE 8 H PHE 8 0.952 -10.859 -2.259 52 HA PHE 8 HA PHE 8 -0.638 -12.135 -4.247 53 HB2 PHE 8 2HB PHE 8 0.155 -9.910 -4.676 54 HB3 PHE 8 3HB PHE 8 1.828 -10.400 -4.431 55 HD1 PHE 8 HD2 PHE 8 -0.879 -11.987 -6.431 56 HD2 PHE 8 HD1 PHE 8 2.907 -10.042 -6.440 57 HE1 PHE 8 HE2 PHE 8 -0.660 -12.432 -8.840 58 HE2 PHE 8 HE1 PHE 8 3.131 -10.482 -8.850 59 HZ PHE 8 HZ PHE 8 1.347 -11.680 -10.053 60 H ALA 9 H ALA 9 2.561 -12.676 -2.930 61 HA ALA 9 HA ALA 9 3.317 -14.591 -4.939 62 HB1 ALA 9 1HB ALA 9 4.541 -13.524 -2.447 63 HB2 ALA 9 2HB ALA 9 5.129 -15.061 -3.083 64 HB3 ALA 9 3HB ALA 9 5.195 -13.610 -4.083 65 H MET 10 H MET 10 1.618 -14.654 -1.934 66 HA MET 10 HA MET 10 1.938 -17.534 -1.629 67 HB2 MET 10 2HB MET 10 1.323 -15.348 0.120 68 HB3 MET 10 3HB MET 10 0.029 -16.535 0.208 69 HG2 MET 10 2HG MET 10 2.702 -17.702 0.290 70 HG3 MET 10 3HG MET 10 2.356 -16.608 1.628 71 HE1 MET 10 3HE MET 10 1.376 -20.876 1.486 72 HE2 MET 10 1HE MET 10 2.208 -19.958 0.231 73 HE3 MET 10 2HE MET 10 2.848 -19.984 1.874 74 H GLN 11 H GLN 11 -0.419 -15.180 -2.672 75 HA GLN 11 HA GLN 11 -2.627 -17.009 -2.706 76 HB2 GLN 11 2HB GLN 11 -3.889 -15.240 -3.652 77 HB3 GLN 11 3HB GLN 11 -2.796 -14.491 -2.495 78 HG2 GLN 11 2HG GLN 11 -2.405 -13.066 -4.177 79 HG3 GLN 11 3HG GLN 11 -1.304 -14.328 -4.727 80 HE21 GLN 11 1HE2 GLN 11 -2.797 -12.287 -6.224 81 HE22 GLN 11 2HE2 GLN 11 -3.728 -13.154 -7.393 82 H MET 12 H MET 12 -0.111 -16.080 -4.912 83 HA MET 12 HA MET 12 -1.427 -17.376 -7.167 84 HB2 MET 12 2HB MET 12 0.221 -15.206 -7.030 85 HB3 MET 12 3HB MET 12 1.355 -16.470 -7.489 86 HG2 MET 12 2HG MET 12 -0.470 -17.038 -9.274 87 HG3 MET 12 3HG MET 12 -0.970 -15.373 -8.984 88 HE1 MET 12 3HE MET 12 -0.496 -16.355 -11.504 89 HE2 MET 12 1HE MET 12 0.227 -14.877 -12.139 90 HE3 MET 12 2HE MET 12 1.110 -16.401 -12.232 91 H ALA 13 H ALA 13 0.924 -18.035 -4.744 92 HA ALA 13 HA ALA 13 2.433 -20.027 -6.044 93 HB1 ALA 13 1HB ALA 13 1.998 -19.168 -3.253 94 HB2 ALA 13 2HB ALA 13 2.588 -20.814 -3.484 95 HB3 ALA 13 3HB ALA 13 3.499 -19.452 -4.135 96 H TYR 14 H TYR 14 -0.611 -20.134 -4.278 97 HA TYR 14 HA TYR 14 -0.766 -23.030 -4.566 98 HB2 TYR 14 2HB TYR 14 -2.335 -23.004 -2.910 99 HB3 TYR 14 3HB TYR 14 -1.559 -21.468 -2.539 100 HD1 TYR 14 HD1 TYR 14 -2.593 -19.362 -3.667 101 HD2 TYR 14 HD2 TYR 14 -4.630 -23.075 -3.257 102 HE1 TYR 14 HE1 TYR 14 -4.746 -18.204 -3.939 103 HE2 TYR 14 HE2 TYR 14 -6.789 -21.928 -3.529 104 HH TYR 14 HH TYR 14 -7.647 -19.833 -4.530 105 H ARG 15 H ARG 15 -2.071 -20.119 -5.951 106 HA ARG 15 HA ARG 15 -4.362 -21.107 -7.192 107 HB2 ARG 15 2HB ARG 15 -2.891 -18.709 -7.214 108 HB3 ARG 15 3HB ARG 15 -3.012 -19.212 -8.895 109 HG2 ARG 15 2HG ARG 15 -5.551 -19.581 -8.172 110 HG3 ARG 15 3HG ARG 15 -5.114 -18.314 -7.024 111 HD2 ARG 15 2HD ARG 15 -4.107 -17.687 -9.644 112 HD3 ARG 15 3HD ARG 15 -5.839 -18.014 -9.715 113 HE ARG 15 HE ARG 15 -5.235 -16.279 -7.559 114 HH11 ARG 15 1HH1 ARG 15 -5.529 -16.358 -11.027 115 HH12 ARG 15 2HH1 ARG 15 -5.946 -14.682 -11.160 116 HH21 ARG 15 1HH2 ARG 15 -5.783 -14.071 -7.721 117 HH22 ARG 15 2HH2 ARG 15 -6.089 -13.382 -9.279 118 H PHE 16 H PHE 16 -1.051 -21.704 -7.861 119 HA PHE 16 HA PHE 16 -0.983 -22.222 -10.563 120 HB2 PHE 16 2HB PHE 16 0.377 -23.738 -8.327 121 HB3 PHE 16 3HB PHE 16 0.789 -23.900 -10.031 122 HD1 PHE 16 HD1 PHE 16 0.261 -20.823 -10.503 123 HD2 PHE 16 HD2 PHE 16 2.650 -23.064 -7.785 124 HE1 PHE 16 HE1 PHE 16 1.813 -18.924 -10.306 125 HE2 PHE 16 HE2 PHE 16 4.205 -21.169 -7.583 126 HZ PHE 16 HZ PHE 16 3.788 -19.095 -8.844 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.982 0.421 1.409 2 HA2 GLY 1 2HA GLY 1 1.972 0.445 -0.673 3 HA3 GLY 1 3HA GLY 1 3.698 0.706 -0.881 4 H ALA 2 H ALA 2 4.527 -1.718 0.423 5 HA ALA 2 HA ALA 2 3.938 -3.577 -1.755 6 HB1 ALA 2 1HB ALA 2 5.878 -4.862 -0.735 7 HB2 ALA 2 2HB ALA 2 6.254 -3.297 -1.457 8 HB3 ALA 2 3HB ALA 2 6.131 -3.453 0.296 9 H ALA 3 H ALA 3 2.082 -3.040 0.508 10 HA ALA 3 HA ALA 3 2.109 -5.274 2.264 11 HB1 ALA 3 1HB ALA 3 0.727 -2.897 2.137 12 HB2 ALA 3 2HB ALA 3 -0.517 -4.105 1.815 13 HB3 ALA 3 3HB ALA 3 0.444 -4.201 3.290 14 H LEU 4 H LEU 4 0.826 -4.716 -0.924 15 HA LEU 4 HA LEU 4 -0.778 -7.140 -0.870 16 HB2 LEU 4 2HB LEU 4 -1.463 -4.992 -2.024 17 HB3 LEU 4 3HB LEU 4 -0.235 -5.360 -3.233 18 HG LEU 4 HG LEU 4 -1.660 -7.663 -3.249 19 HD11 LEU 4 1HD1 LEU 4 -4.078 -6.712 -3.426 20 HD12 LEU 4 2HD1 LEU 4 -3.468 -5.474 -2.329 21 HD13 LEU 4 3HD1 LEU 4 -3.424 -7.171 -1.854 22 HD21 LEU 4 3HD2 LEU 4 -1.808 -5.141 -4.838 23 HD22 LEU 4 1HD2 LEU 4 -2.926 -6.458 -5.193 24 HD23 LEU 4 2HD2 LEU 4 -1.186 -6.727 -5.296 25 H GLN 5 H GLN 5 2.396 -6.215 -1.631 26 HA GLN 5 HA GLN 5 2.919 -8.126 -3.686 27 HB2 GLN 5 2HB GLN 5 4.250 -5.948 -2.736 28 HB3 GLN 5 3HB GLN 5 5.184 -7.253 -2.015 29 HG2 GLN 5 2HG GLN 5 5.229 -8.240 -4.391 30 HG3 GLN 5 3HG GLN 5 4.749 -6.623 -4.905 31 HE21 GLN 5 1HE2 GLN 5 7.276 -8.368 -5.051 32 HE22 GLN 5 2HE2 GLN 5 8.536 -7.276 -4.600 33 H ILE 6 H ILE 6 2.578 -8.321 -0.304 34 HA ILE 6 HA ILE 6 4.277 -10.611 0.082 35 HB ILE 6 HB ILE 6 2.421 -9.037 1.792 36 HG12 ILE 6 2HG1 ILE 6 4.862 -8.576 1.640 37 HG13 ILE 6 3HG1 ILE 6 4.339 -8.979 3.272 38 HG21 ILE 6 1HG2 ILE 6 2.822 -10.844 3.588 39 HG22 ILE 6 2HG2 ILE 6 1.545 -11.101 2.401 40 HG23 ILE 6 3HG2 ILE 6 3.094 -11.923 2.221 41 HD11 ILE 6 3HD1 ILE 6 5.225 -11.283 1.718 42 HD12 ILE 6 1HD1 ILE 6 6.474 -10.066 1.982 43 HD13 ILE 6 2HD1 ILE 6 5.639 -10.787 3.359 44 HA PRO 7 HA PRO 7 0.029 -12.902 0.350 45 HB2 PRO 7 2HB PRO 7 -2.178 -11.526 -0.429 46 HB3 PRO 7 3HB PRO 7 -1.584 -11.526 1.236 47 HG2 PRO 7 2HG PRO 7 -1.201 -9.477 -0.913 48 HG3 PRO 7 3HG PRO 7 -1.580 -9.241 0.803 49 HD2 PRO 7 2HD PRO 7 0.920 -8.938 -0.190 50 HD3 PRO 7 3HD PRO 7 0.612 -9.525 1.457 51 H PHE 8 H PHE 8 0.935 -10.790 -2.209 52 HA PHE 8 HA PHE 8 -0.590 -11.994 -4.291 53 HB2 PHE 8 2HB PHE 8 0.254 -9.755 -4.595 54 HB3 PHE 8 3HB PHE 8 1.911 -10.299 -4.357 55 HD1 PHE 8 HD2 PHE 8 -0.828 -11.712 -6.444 56 HD2 PHE 8 HD1 PHE 8 3.026 -9.907 -6.338 57 HE1 PHE 8 HE2 PHE 8 -0.600 -12.064 -8.868 58 HE2 PHE 8 HE1 PHE 8 3.260 -10.256 -8.762 59 HZ PHE 8 HZ PHE 8 1.446 -11.337 -10.030 60 H ALA 9 H ALA 9 2.554 -12.603 -2.872 61 HA ALA 9 HA ALA 9 3.350 -14.480 -4.908 62 HB1 ALA 9 1HB ALA 9 5.379 -14.241 -4.027 63 HB2 ALA 9 2HB ALA 9 4.679 -13.026 -2.956 64 HB3 ALA 9 3HB ALA 9 4.813 -14.701 -2.421 65 H MET 10 H MET 10 1.583 -14.580 -1.946 66 HA MET 10 HA MET 10 1.889 -17.465 -1.671 67 HB2 MET 10 2HB MET 10 0.433 -15.406 -0.011 68 HB3 MET 10 3HB MET 10 0.396 -17.130 0.332 69 HG2 MET 10 2HG MET 10 3.086 -16.578 0.104 70 HG3 MET 10 3HG MET 10 2.436 -15.156 0.916 71 HE1 MET 10 3HE MET 10 2.502 -14.850 2.933 72 HE2 MET 10 1HE MET 10 1.253 -15.663 3.877 73 HE3 MET 10 2HE MET 10 2.955 -15.979 4.211 74 H GLN 11 H GLN 11 -0.409 -15.101 -2.789 75 HA GLN 11 HA GLN 11 -2.635 -16.912 -2.881 76 HB2 GLN 11 2HB GLN 11 -3.856 -15.131 -3.857 77 HB3 GLN 11 3HB GLN 11 -2.790 -14.392 -2.670 78 HG2 GLN 11 2HG GLN 11 -2.335 -12.969 -4.336 79 HG3 GLN 11 3HG GLN 11 -1.238 -14.243 -4.866 80 HE21 GLN 11 1HE2 GLN 11 -2.734 -12.159 -6.353 81 HE22 GLN 11 2HE2 GLN 11 -3.625 -13.016 -7.559 82 H MET 12 H MET 12 -0.045 -16.002 -5.008 83 HA MET 12 HA MET 12 -1.306 -17.280 -7.304 84 HB2 MET 12 2HB MET 12 1.014 -15.486 -6.880 85 HB3 MET 12 3HB MET 12 1.151 -16.636 -8.203 86 HG2 MET 12 2HG MET 12 -1.387 -15.167 -8.085 87 HG3 MET 12 3HG MET 12 0.040 -14.185 -8.407 88 HE1 MET 12 3HE MET 12 -2.720 -15.415 -9.741 89 HE2 MET 12 1HE MET 12 -2.422 -15.836 -11.428 90 HE3 MET 12 2HE MET 12 -2.345 -17.082 -10.183 91 H ALA 13 H ALA 13 1.022 -17.937 -4.840 92 HA ALA 13 HA ALA 13 2.536 -19.943 -6.086 93 HB1 ALA 13 1HB ALA 13 2.614 -20.754 -3.540 94 HB2 ALA 13 2HB ALA 13 3.529 -19.367 -4.134 95 HB3 ALA 13 3HB ALA 13 1.995 -19.120 -3.298 96 H TYR 14 H TYR 14 -0.567 -20.048 -4.423 97 HA TYR 14 HA TYR 14 -0.727 -22.940 -4.737 98 HB2 TYR 14 2HB TYR 14 -2.347 -22.915 -3.135 99 HB3 TYR 14 3HB TYR 14 -1.591 -21.376 -2.736 100 HD1 TYR 14 HD1 TYR 14 -2.595 -19.268 -3.857 101 HD2 TYR 14 HD2 TYR 14 -4.624 -23.000 -3.608 102 HE1 TYR 14 HE1 TYR 14 -4.741 -18.119 -4.207 103 HE2 TYR 14 HE2 TYR 14 -6.775 -21.861 -3.958 104 HH TYR 14 HH TYR 14 -6.929 -18.381 -4.595 105 H ARG 15 H ARG 15 -2.002 -20.009 -6.126 106 HA ARG 15 HA ARG 15 -4.232 -21.001 -7.470 107 HB2 ARG 15 2HB ARG 15 -2.784 -18.587 -7.398 108 HB3 ARG 15 3HB ARG 15 -2.850 -19.061 -9.091 109 HG2 ARG 15 2HG ARG 15 -5.232 -18.794 -7.268 110 HG3 ARG 15 3HG ARG 15 -4.706 -17.594 -8.450 111 HD2 ARG 15 2HD ARG 15 -4.848 -19.910 -9.930 112 HD3 ARG 15 3HD ARG 15 -6.213 -20.061 -8.824 113 HE ARG 15 HE ARG 15 -6.122 -17.481 -10.017 114 HH11 ARG 15 1HH1 ARG 15 -7.002 -20.795 -10.622 115 HH12 ARG 15 2HH1 ARG 15 -8.192 -20.397 -11.817 116 HH21 ARG 15 1HH2 ARG 15 -7.686 -16.945 -11.588 117 HH22 ARG 15 2HH2 ARG 15 -8.579 -18.207 -12.366 118 H PHE 16 H PHE 16 -0.885 -21.523 -8.041 119 HA PHE 16 HA PHE 16 -0.738 -22.007 -10.750 120 HB2 PHE 16 2HB PHE 16 0.617 -23.499 -8.495 121 HB3 PHE 16 3HB PHE 16 1.072 -23.636 -10.190 122 HD1 PHE 16 HD2 PHE 16 0.424 -20.550 -10.601 123 HD2 PHE 16 HD1 PHE 16 2.892 -22.784 -7.949 124 HE1 PHE 16 HE2 PHE 16 1.913 -18.607 -10.356 125 HE2 PHE 16 HE1 PHE 16 4.385 -20.844 -7.699 126 HZ PHE 16 HZ PHE 16 3.897 -18.752 -8.904 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.647 -0.555 -4.408 2 HA2 GLY 1 2HA GLY 1 1.429 -1.131 -1.823 3 HA3 GLY 1 3HA GLY 1 1.048 -1.911 -3.352 4 H ALA 2 H ALA 2 3.786 -1.586 -1.091 5 HA ALA 2 HA ALA 2 4.941 -4.077 -1.880 6 HB1 ALA 2 1HB ALA 2 5.698 -1.854 -0.283 7 HB2 ALA 2 2HB ALA 2 5.890 -3.318 0.682 8 HB3 ALA 2 3HB ALA 2 6.702 -3.178 -0.877 9 H ALA 3 H ALA 3 2.664 -3.070 0.560 10 HA ALA 3 HA ALA 3 2.848 -5.347 2.234 11 HB1 ALA 3 1HB ALA 3 0.410 -4.570 2.811 12 HB2 ALA 3 2HB ALA 3 1.803 -3.600 3.292 13 HB3 ALA 3 3HB ALA 3 0.867 -3.151 1.867 14 H LEU 4 H LEU 4 1.273 -4.748 -0.791 15 HA LEU 4 HA LEU 4 -0.442 -7.084 -0.562 16 HB2 LEU 4 2HB LEU 4 -1.114 -4.912 -1.680 17 HB3 LEU 4 3HB LEU 4 -0.021 -5.357 -2.988 18 HG LEU 4 HG LEU 4 -1.469 -7.545 -3.040 19 HD11 LEU 4 1HD1 LEU 4 -3.878 -6.185 -2.543 20 HD12 LEU 4 2HD1 LEU 4 -2.860 -5.939 -1.124 21 HD13 LEU 4 3HD1 LEU 4 -3.217 -7.574 -1.680 22 HD21 LEU 4 3HD2 LEU 4 -2.218 -4.851 -4.146 23 HD22 LEU 4 1HD2 LEU 4 -3.065 -6.332 -4.593 24 HD23 LEU 4 2HD2 LEU 4 -1.345 -6.161 -4.943 25 H GLN 5 H GLN 5 2.694 -6.334 -1.615 26 HA GLN 5 HA GLN 5 2.933 -8.289 -3.681 27 HB2 GLN 5 2HB GLN 5 4.412 -6.193 -3.158 28 HB3 GLN 5 3HB GLN 5 5.276 -7.300 -2.099 29 HG2 GLN 5 2HG GLN 5 5.677 -8.789 -4.008 30 HG3 GLN 5 3HG GLN 5 4.854 -7.638 -5.059 31 HE21 GLN 5 1HE2 GLN 5 7.703 -8.280 -3.180 32 HE22 GLN 5 2HE2 GLN 5 8.673 -7.012 -3.840 33 H ILE 6 H ILE 6 2.888 -8.432 -0.280 34 HA ILE 6 HA ILE 6 4.497 -10.803 -0.013 35 HB ILE 6 HB ILE 6 2.882 -9.120 1.832 36 HG12 ILE 6 2HG1 ILE 6 5.148 -9.894 3.135 37 HG13 ILE 6 3HG1 ILE 6 5.674 -9.995 1.458 38 HG21 ILE 6 1HG2 ILE 6 1.963 -11.132 2.545 39 HG22 ILE 6 2HG2 ILE 6 3.447 -12.031 2.239 40 HG23 ILE 6 3HG2 ILE 6 3.352 -10.927 3.611 41 HD11 ILE 6 3HD1 ILE 6 6.028 -7.817 1.487 42 HD12 ILE 6 1HD1 ILE 6 4.300 -7.560 1.720 43 HD13 ILE 6 2HD1 ILE 6 5.367 -7.699 3.117 44 HA PRO 7 HA PRO 7 0.181 -12.871 0.663 45 HB2 PRO 7 2HB PRO 7 -2.015 -11.392 0.062 46 HB3 PRO 7 3HB PRO 7 -1.276 -11.405 1.667 47 HG2 PRO 7 2HG PRO 7 -0.983 -9.400 -0.536 48 HG3 PRO 7 3HG PRO 7 -1.197 -9.128 1.203 49 HD2 PRO 7 2HD PRO 7 1.218 -8.963 -0.012 50 HD3 PRO 7 3HD PRO 7 1.028 -9.517 1.665 51 H PHE 8 H PHE 8 0.959 -10.833 -1.997 52 HA PHE 8 HA PHE 8 -0.780 -12.115 -3.896 53 HB2 PHE 8 2HB PHE 8 -0.176 -9.822 -4.305 54 HB3 PHE 8 3HB PHE 8 1.540 -10.208 -4.227 55 HD1 PHE 8 HD2 PHE 8 -1.230 -11.919 -6.027 56 HD2 PHE 8 HD1 PHE 8 2.402 -9.719 -6.313 57 HE1 PHE 8 HE2 PHE 8 -1.206 -12.282 -8.461 58 HE2 PHE 8 HE1 PHE 8 2.432 -10.077 -8.747 59 HZ PHE 8 HZ PHE 8 0.627 -11.361 -9.824 60 H ALA 9 H ALA 9 2.445 -12.578 -2.701 61 HA ALA 9 HA ALA 9 3.264 -14.303 -4.864 62 HB1 ALA 9 1HB ALA 9 5.256 -14.715 -3.418 63 HB2 ALA 9 2HB ALA 9 4.969 -13.015 -3.792 64 HB3 ALA 9 3HB ALA 9 4.531 -13.655 -2.208 65 H MET 10 H MET 10 1.658 -14.638 -1.824 66 HA MET 10 HA MET 10 2.129 -17.514 -1.718 67 HB2 MET 10 2HB MET 10 1.144 -17.471 0.441 68 HB3 MET 10 3HB MET 10 2.162 -16.041 0.341 69 HG2 MET 10 2HG MET 10 0.169 -14.690 -0.168 70 HG3 MET 10 3HG MET 10 -0.828 -16.131 0.019 71 HE1 MET 10 3HE MET 10 -1.425 -17.257 2.218 72 HE2 MET 10 1HE MET 10 0.270 -17.666 2.487 73 HE3 MET 10 2HE MET 10 -0.670 -16.912 3.775 74 H GLN 11 H GLN 11 -0.317 -15.227 -2.632 75 HA GLN 11 HA GLN 11 -2.471 -17.130 -2.659 76 HB2 GLN 11 2HB GLN 11 -3.822 -15.373 -3.489 77 HB3 GLN 11 3HB GLN 11 -2.715 -14.625 -2.345 78 HG2 GLN 11 2HG GLN 11 -2.499 -13.129 -4.013 79 HG3 GLN 11 3HG GLN 11 -1.294 -14.287 -4.572 80 HE21 GLN 11 1HE2 GLN 11 -4.462 -12.973 -5.079 81 HE22 GLN 11 2HE2 GLN 11 -4.723 -13.659 -6.642 82 H MET 12 H MET 12 -0.049 -16.023 -4.888 83 HA MET 12 HA MET 12 -1.378 -17.275 -7.160 84 HB2 MET 12 2HB MET 12 0.713 -15.273 -6.791 85 HB3 MET 12 3HB MET 12 1.126 -16.465 -8.016 86 HG2 MET 12 2HG MET 12 -1.325 -15.956 -8.840 87 HG3 MET 12 3HG MET 12 -1.041 -14.440 -7.988 88 HE1 MET 12 3HE MET 12 -0.497 -16.469 -11.180 89 HE2 MET 12 1HE MET 12 -1.586 -15.080 -11.201 90 HE3 MET 12 2HE MET 12 -0.126 -15.071 -12.192 91 H ALA 13 H ALA 13 1.111 -17.911 -4.853 92 HA ALA 13 HA ALA 13 2.642 -19.796 -6.258 93 HB1 ALA 13 1HB ALA 13 2.174 -19.197 -3.380 94 HB2 ALA 13 2HB ALA 13 2.995 -20.697 -3.812 95 HB3 ALA 13 3HB ALA 13 3.668 -19.147 -4.317 96 H TYR 14 H TYR 14 -0.354 -20.109 -4.433 97 HA TYR 14 HA TYR 14 -0.401 -22.992 -4.853 98 HB2 TYR 14 2HB TYR 14 -1.928 -23.103 -3.165 99 HB3 TYR 14 3HB TYR 14 -1.220 -21.547 -2.746 100 HD1 TYR 14 HD1 TYR 14 -2.380 -19.448 -3.727 101 HD2 TYR 14 HD2 TYR 14 -4.222 -23.277 -3.514 102 HE1 TYR 14 HE1 TYR 14 -4.591 -18.388 -3.913 103 HE2 TYR 14 HE2 TYR 14 -6.438 -22.228 -3.701 104 HH TYR 14 HH TYR 14 -7.567 -20.297 -3.705 105 H ARG 15 H ARG 15 -1.884 -20.075 -6.053 106 HA ARG 15 HA ARG 15 -4.139 -21.120 -7.310 107 HB2 ARG 15 2HB ARG 15 -2.799 -18.646 -7.223 108 HB3 ARG 15 3HB ARG 15 -2.938 -19.060 -8.927 109 HG2 ARG 15 2HG ARG 15 -5.311 -19.237 -7.115 110 HG3 ARG 15 3HG ARG 15 -4.815 -17.695 -7.817 111 HD2 ARG 15 2HD ARG 15 -4.891 -19.842 -9.774 112 HD3 ARG 15 3HD ARG 15 -6.452 -19.586 -8.994 113 HE ARG 15 HE ARG 15 -5.193 -17.166 -9.906 114 HH11 ARG 15 1HH1 ARG 15 -7.256 -19.831 -10.775 115 HH12 ARG 15 2HH1 ARG 15 -8.041 -18.975 -12.061 116 HH21 ARG 15 1HH2 ARG 15 -6.218 -16.028 -11.597 117 HH22 ARG 15 2HH2 ARG 15 -7.448 -16.812 -12.528 118 H PHE 16 H PHE 16 -0.810 -21.465 -8.084 119 HA PHE 16 HA PHE 16 -0.794 -21.842 -10.813 120 HB2 PHE 16 2HB PHE 16 0.748 -23.354 -8.696 121 HB3 PHE 16 3HB PHE 16 1.113 -23.407 -10.417 122 HD1 PHE 16 HD1 PHE 16 0.312 -20.341 -10.673 123 HD2 PHE 16 HD2 PHE 16 3.017 -22.555 -8.244 124 HE1 PHE 16 HE1 PHE 16 1.727 -18.343 -10.433 125 HE2 PHE 16 HE2 PHE 16 4.436 -20.560 -8.000 126 HZ PHE 16 HZ PHE 16 3.791 -18.450 -9.094 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.727 -1.867 -4.872 2 HA2 GLY 1 2HA GLY 1 1.349 -1.088 -2.118 3 HA3 GLY 1 3HA GLY 1 0.634 -2.480 -2.919 4 H ALA 2 H ALA 2 3.269 -1.311 -1.011 5 HA ALA 2 HA ALA 2 4.993 -3.532 -1.197 6 HB1 ALA 2 1HB ALA 2 4.964 -2.182 1.398 7 HB2 ALA 2 2HB ALA 2 6.279 -2.396 0.242 8 HB3 ALA 2 3HB ALA 2 5.112 -1.093 0.019 9 H ALA 3 H ALA 3 2.104 -2.938 0.666 10 HA ALA 3 HA ALA 3 2.503 -5.191 2.425 11 HB1 ALA 3 1HB ALA 3 0.428 -3.099 2.078 12 HB2 ALA 3 2HB ALA 3 -0.046 -4.608 2.859 13 HB3 ALA 3 3HB ALA 3 1.263 -3.638 3.535 14 H LEU 4 H LEU 4 1.019 -4.590 -0.644 15 HA LEU 4 HA LEU 4 -0.517 -7.058 -0.584 16 HB2 LEU 4 2HB LEU 4 -0.196 -4.852 -2.595 17 HB3 LEU 4 3HB LEU 4 -1.035 -6.352 -2.984 18 HG LEU 4 HG LEU 4 -1.988 -4.991 -0.557 19 HD11 LEU 4 1HD1 LEU 4 -3.349 -3.626 -2.540 20 HD12 LEU 4 2HD1 LEU 4 -1.659 -3.523 -3.034 21 HD13 LEU 4 3HD1 LEU 4 -2.147 -2.955 -1.437 22 HD21 LEU 4 3HD2 LEU 4 -3.092 -6.956 -1.442 23 HD22 LEU 4 1HD2 LEU 4 -3.320 -6.159 -2.999 24 HD23 LEU 4 2HD2 LEU 4 -4.160 -5.558 -1.569 25 H GLN 5 H GLN 5 2.594 -6.027 -1.460 26 HA GLN 5 HA GLN 5 3.075 -7.867 -3.588 27 HB2 GLN 5 2HB GLN 5 4.482 -5.753 -2.310 28 HB3 GLN 5 3HB GLN 5 5.502 -7.184 -2.246 29 HG2 GLN 5 2HG GLN 5 4.692 -7.292 -4.811 30 HG3 GLN 5 3HG GLN 5 4.670 -5.550 -4.543 31 HE21 GLN 5 1HE2 GLN 5 6.418 -7.173 -6.228 32 HE22 GLN 5 2HE2 GLN 5 8.030 -6.844 -5.700 33 H ILE 6 H ILE 6 2.889 -8.162 -0.201 34 HA ILE 6 HA ILE 6 4.661 -10.418 0.045 35 HB ILE 6 HB ILE 6 2.846 -8.939 1.880 36 HG12 ILE 6 2HG1 ILE 6 5.266 -8.410 1.631 37 HG13 ILE 6 3HG1 ILE 6 4.827 -8.868 3.273 38 HG21 ILE 6 1HG2 ILE 6 2.051 -11.041 2.469 39 HG22 ILE 6 2HG2 ILE 6 3.611 -11.816 2.195 40 HG23 ILE 6 3HG2 ILE 6 3.375 -10.783 3.605 41 HD11 ILE 6 3HD1 ILE 6 6.190 -10.627 3.257 42 HD12 ILE 6 1HD1 ILE 6 5.691 -11.118 1.638 43 HD13 ILE 6 2HD1 ILE 6 6.923 -9.871 1.842 44 HA PRO 7 HA PRO 7 0.488 -12.824 0.439 45 HB2 PRO 7 2HB PRO 7 -1.786 -11.485 -0.201 46 HB3 PRO 7 3HB PRO 7 -1.116 -11.515 1.435 47 HG2 PRO 7 2HG PRO 7 -0.883 -9.399 -0.670 48 HG3 PRO 7 3HG PRO 7 -1.189 -9.220 1.068 49 HD2 PRO 7 2HD PRO 7 1.255 -8.825 -0.029 50 HD3 PRO 7 3HD PRO 7 1.037 -9.464 1.613 51 H PHE 8 H PHE 8 1.181 -10.594 -2.099 52 HA PHE 8 HA PHE 8 -0.396 -11.781 -4.142 53 HB2 PHE 8 2HB PHE 8 0.386 -9.525 -4.435 54 HB3 PHE 8 3HB PHE 8 2.063 -10.029 -4.259 55 HD1 PHE 8 HD2 PHE 8 -0.701 -11.466 -6.296 56 HD2 PHE 8 HD1 PHE 8 3.108 -9.567 -6.262 57 HE1 PHE 8 HE2 PHE 8 -0.538 -11.758 -8.733 58 HE2 PHE 8 HE1 PHE 8 3.277 -9.856 -8.700 59 HZ PHE 8 HZ PHE 8 1.454 -10.954 -9.938 60 H ALA 9 H ALA 9 2.812 -12.383 -2.878 61 HA ALA 9 HA ALA 9 3.648 -14.104 -5.000 62 HB1 ALA 9 1HB ALA 9 4.714 -13.277 -2.370 63 HB2 ALA 9 2HB ALA 9 5.276 -14.825 -3.002 64 HB3 ALA 9 3HB ALA 9 5.504 -13.352 -3.945 65 H MET 10 H MET 10 1.933 -14.532 -1.985 66 HA MET 10 HA MET 10 2.136 -17.423 -2.091 67 HB2 MET 10 2HB MET 10 1.710 -15.572 -0.055 68 HB3 MET 10 3HB MET 10 0.156 -16.375 -0.240 69 HG2 MET 10 2HG MET 10 2.403 -18.224 -0.227 70 HG3 MET 10 3HG MET 10 2.273 -17.272 1.250 71 HE1 MET 10 3HE MET 10 -0.124 -18.857 3.285 72 HE2 MET 10 1HE MET 10 1.361 -19.730 2.905 73 HE3 MET 10 2HE MET 10 1.375 -17.970 3.009 74 H GLN 11 H GLN 11 -0.203 -14.908 -2.805 75 HA GLN 11 HA GLN 11 -2.489 -16.506 -3.076 76 HB2 GLN 11 2HB GLN 11 -2.618 -14.077 -2.978 77 HB3 GLN 11 3HB GLN 11 -1.747 -13.945 -4.500 78 HG2 GLN 11 2HG GLN 11 -4.102 -15.612 -4.738 79 HG3 GLN 11 3HG GLN 11 -4.487 -13.992 -4.159 80 HE21 GLN 11 1HE2 GLN 11 -4.873 -15.465 -6.770 81 HE22 GLN 11 2HE2 GLN 11 -4.269 -14.372 -7.964 82 H MET 12 H MET 12 0.252 -16.047 -5.145 83 HA MET 12 HA MET 12 -1.078 -17.291 -7.420 84 HB2 MET 12 2HB MET 12 1.122 -15.504 -7.086 85 HB3 MET 12 3HB MET 12 1.707 -16.953 -7.893 86 HG2 MET 12 2HG MET 12 0.114 -16.700 -9.653 87 HG3 MET 12 3HG MET 12 -0.689 -15.383 -8.802 88 HE1 MET 12 3HE MET 12 0.427 -14.038 -11.914 89 HE2 MET 12 1HE MET 12 1.788 -15.144 -12.102 90 HE3 MET 12 2HE MET 12 0.215 -15.761 -11.599 91 H ALA 13 H ALA 13 1.056 -18.087 -4.825 92 HA ALA 13 HA ALA 13 2.348 -20.337 -5.889 93 HB1 ALA 13 1HB ALA 13 3.099 -19.328 -3.833 94 HB2 ALA 13 2HB ALA 13 1.575 -19.728 -3.039 95 HB3 ALA 13 3HB ALA 13 2.676 -21.014 -3.533 96 H TYR 14 H TYR 14 -0.806 -19.959 -4.367 97 HA TYR 14 HA TYR 14 -1.321 -22.821 -4.541 98 HB2 TYR 14 2HB TYR 14 -2.986 -22.503 -3.018 99 HB3 TYR 14 3HB TYR 14 -2.056 -21.052 -2.663 100 HD1 TYR 14 HD1 TYR 14 -2.739 -18.901 -3.935 101 HD2 TYR 14 HD2 TYR 14 -5.235 -22.328 -3.590 102 HE1 TYR 14 HE1 TYR 14 -4.705 -17.512 -4.441 103 HE2 TYR 14 HE2 TYR 14 -7.208 -20.950 -4.096 104 HH TYR 14 HH TYR 14 -7.038 -17.484 -4.247 105 H ARG 15 H ARG 15 -2.159 -19.836 -6.134 106 HA ARG 15 HA ARG 15 -4.443 -20.615 -7.526 107 HB2 ARG 15 2HB ARG 15 -2.710 -18.400 -7.508 108 HB3 ARG 15 3HB ARG 15 -2.752 -18.959 -9.175 109 HG2 ARG 15 2HG ARG 15 -5.267 -18.516 -7.607 110 HG3 ARG 15 3HG ARG 15 -4.456 -17.201 -8.459 111 HD2 ARG 15 2HD ARG 15 -5.737 -17.838 -10.190 112 HD3 ARG 15 3HD ARG 15 -4.526 -19.104 -10.388 113 HE ARG 15 HE ARG 15 -6.381 -20.097 -8.607 114 HH11 ARG 15 1HH1 ARG 15 -6.378 -18.948 -11.893 115 HH12 ARG 15 2HH1 ARG 15 -7.686 -19.969 -12.389 116 HH21 ARG 15 1HH2 ARG 15 -8.104 -21.447 -9.248 117 HH22 ARG 15 2HH2 ARG 15 -8.668 -21.390 -10.884 118 H PHE 16 H PHE 16 -1.170 -21.585 -7.917 119 HA PHE 16 HA PHE 16 -0.982 -22.238 -10.587 120 HB2 PHE 16 2HB PHE 16 0.080 -23.760 -8.199 121 HB3 PHE 16 3HB PHE 16 0.581 -24.047 -9.862 122 HD1 PHE 16 HD1 PHE 16 0.350 -20.933 -10.458 123 HD2 PHE 16 HD2 PHE 16 2.407 -23.307 -7.586 124 HE1 PHE 16 HE1 PHE 16 2.066 -19.182 -10.244 125 HE2 PHE 16 HE2 PHE 16 4.125 -21.560 -7.367 126 HZ PHE 16 HZ PHE 16 3.956 -19.494 -8.696 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.123 0.607 1.367 2 HA2 GLY 1 2HA GLY 1 1.591 0.435 -1.118 3 HA3 GLY 1 3HA GLY 1 3.269 0.936 -0.965 4 H ALA 2 H ALA 2 4.132 -1.293 0.612 5 HA ALA 2 HA ALA 2 4.135 -3.346 -1.491 6 HB1 ALA 2 1HB ALA 2 6.293 -2.239 -0.669 7 HB2 ALA 2 2HB ALA 2 6.084 -3.216 0.786 8 HB3 ALA 2 3HB ALA 2 6.264 -3.999 -0.784 9 H ALA 3 H ALA 3 2.026 -3.009 0.548 10 HA ALA 3 HA ALA 3 2.378 -5.221 2.380 11 HB1 ALA 3 1HB ALA 3 1.185 -3.384 3.265 12 HB2 ALA 3 2HB ALA 3 0.106 -3.319 1.871 13 HB3 ALA 3 3HB ALA 3 -0.004 -4.662 3.009 14 H LEU 4 H LEU 4 0.971 -4.649 -0.730 15 HA LEU 4 HA LEU 4 -0.589 -7.102 -0.671 16 HB2 LEU 4 2HB LEU 4 -1.154 -4.823 -1.840 17 HB3 LEU 4 3HB LEU 4 -0.161 -5.480 -3.138 18 HG LEU 4 HG LEU 4 -1.813 -7.549 -2.802 19 HD11 LEU 4 1HD1 LEU 4 -3.414 -7.032 -1.327 20 HD12 LEU 4 2HD1 LEU 4 -4.099 -6.074 -2.639 21 HD13 LEU 4 3HD1 LEU 4 -3.082 -5.302 -1.423 22 HD21 LEU 4 3HD2 LEU 4 -1.446 -6.462 -4.909 23 HD22 LEU 4 1HD2 LEU 4 -2.346 -5.039 -4.384 24 HD23 LEU 4 2HD2 LEU 4 -3.185 -6.571 -4.632 25 H GLN 5 H GLN 5 2.551 -6.112 -1.489 26 HA GLN 5 HA GLN 5 3.063 -7.987 -3.580 27 HB2 GLN 5 2HB GLN 5 4.486 -5.895 -2.235 28 HB3 GLN 5 3HB GLN 5 5.483 -7.343 -2.254 29 HG2 GLN 5 2HG GLN 5 5.973 -6.001 -4.182 30 HG3 GLN 5 3HG GLN 5 5.181 -7.492 -4.689 31 HE21 GLN 5 1HE2 GLN 5 5.016 -4.070 -4.577 32 HE22 GLN 5 2HE2 GLN 5 3.545 -3.888 -5.463 33 H ILE 6 H ILE 6 2.797 -8.233 -0.194 34 HA ILE 6 HA ILE 6 4.540 -10.500 0.124 35 HB ILE 6 HB ILE 6 2.698 -8.979 1.895 36 HG12 ILE 6 2HG1 ILE 6 5.128 -8.476 1.695 37 HG13 ILE 6 3HG1 ILE 6 4.647 -8.907 3.333 38 HG21 ILE 6 1HG2 ILE 6 1.869 -11.066 2.495 39 HG22 ILE 6 2HG2 ILE 6 3.428 -11.858 2.269 40 HG23 ILE 6 3HG2 ILE 6 3.169 -10.803 3.658 41 HD11 ILE 6 3HD1 ILE 6 5.972 -10.699 3.369 42 HD12 ILE 6 1HD1 ILE 6 5.540 -11.175 1.727 43 HD13 ILE 6 2HD1 ILE 6 6.772 -9.942 1.993 44 HA PRO 7 HA PRO 7 0.336 -12.862 0.455 45 HB2 PRO 7 2HB PRO 7 -1.909 -11.512 -0.257 46 HB3 PRO 7 3HB PRO 7 -1.278 -11.524 1.395 47 HG2 PRO 7 2HG PRO 7 -0.975 -9.440 -0.733 48 HG3 PRO 7 3HG PRO 7 -1.320 -9.234 0.994 49 HD2 PRO 7 2HD PRO 7 1.153 -8.878 -0.051 50 HD3 PRO 7 3HD PRO 7 0.890 -9.491 1.594 51 H PHE 8 H PHE 8 1.123 -10.684 -2.097 52 HA PHE 8 HA PHE 8 -0.424 -11.864 -4.162 53 HB2 PHE 8 2HB PHE 8 0.417 -9.640 -4.485 54 HB3 PHE 8 3HB PHE 8 2.076 -10.169 -4.226 55 HD1 PHE 8 HD2 PHE 8 -0.633 -11.585 -6.353 56 HD2 PHE 8 HD1 PHE 8 3.221 -9.787 -6.189 57 HE1 PHE 8 HE2 PHE 8 -0.371 -11.934 -8.774 58 HE2 PHE 8 HE1 PHE 8 3.489 -10.132 -8.610 59 HZ PHE 8 HZ PHE 8 1.692 -11.208 -9.906 60 H ALA 9 H ALA 9 2.727 -12.538 -2.799 61 HA ALA 9 HA ALA 9 3.552 -14.328 -4.876 62 HB1 ALA 9 1HB ALA 9 5.010 -14.961 -2.590 63 HB2 ALA 9 2HB ALA 9 5.489 -13.867 -3.889 64 HB3 ALA 9 3HB ALA 9 4.679 -13.234 -2.456 65 H MET 10 H MET 10 1.758 -14.616 -1.902 66 HA MET 10 HA MET 10 1.914 -17.514 -1.895 67 HB2 MET 10 2HB MET 10 1.160 -15.447 -0.011 68 HB3 MET 10 3HB MET 10 -0.054 -16.718 -0.074 69 HG2 MET 10 2HG MET 10 1.247 -17.714 1.443 70 HG3 MET 10 3HG MET 10 2.206 -18.191 0.044 71 HE1 MET 10 3HE MET 10 4.070 -17.173 -0.830 72 HE2 MET 10 1HE MET 10 4.187 -15.424 -0.637 73 HE3 MET 10 2HE MET 10 5.356 -16.478 0.157 74 H GLN 11 H GLN 11 -0.332 -14.983 -2.791 75 HA GLN 11 HA GLN 11 -2.653 -16.547 -3.045 76 HB2 GLN 11 2HB GLN 11 -2.806 -14.143 -3.025 77 HB3 GLN 11 3HB GLN 11 -1.805 -14.021 -4.466 78 HG2 GLN 11 2HG GLN 11 -4.268 -15.620 -4.723 79 HG3 GLN 11 3HG GLN 11 -4.478 -13.885 -4.496 80 HE21 GLN 11 1HE2 GLN 11 -4.706 -15.919 -6.807 81 HE22 GLN 11 2HE2 GLN 11 -3.922 -15.108 -8.116 82 H MET 12 H MET 12 0.143 -16.198 -5.063 83 HA MET 12 HA MET 12 -1.156 -17.492 -7.328 84 HB2 MET 12 2HB MET 12 0.847 -15.608 -7.151 85 HB3 MET 12 3HB MET 12 1.736 -17.084 -7.500 86 HG2 MET 12 2HG MET 12 0.716 -17.370 -9.554 87 HG3 MET 12 3HG MET 12 -0.659 -16.356 -9.125 88 HE1 MET 12 3HE MET 12 1.394 -16.505 -11.711 89 HE2 MET 12 1HE MET 12 2.481 -15.122 -11.841 90 HE3 MET 12 2HE MET 12 2.885 -16.463 -10.768 91 H ALA 13 H ALA 13 0.903 -18.241 -4.660 92 HA ALA 13 HA ALA 13 2.181 -20.544 -5.624 93 HB1 ALA 13 1HB ALA 13 2.730 -19.320 -3.513 94 HB2 ALA 13 2HB ALA 13 1.316 -20.075 -2.778 95 HB3 ALA 13 3HB ALA 13 2.652 -21.074 -3.348 96 H TYR 14 H TYR 14 -1.001 -20.067 -4.188 97 HA TYR 14 HA TYR 14 -1.560 -22.925 -4.286 98 HB2 TYR 14 2HB TYR 14 -3.254 -22.532 -2.813 99 HB3 TYR 14 3HB TYR 14 -2.307 -21.086 -2.481 100 HD1 TYR 14 HD1 TYR 14 -2.923 -18.965 -3.834 101 HD2 TYR 14 HD2 TYR 14 -5.486 -22.338 -3.441 102 HE1 TYR 14 HE1 TYR 14 -4.853 -17.560 -4.428 103 HE2 TYR 14 HE2 TYR 14 -7.423 -20.943 -4.035 104 HH TYR 14 HH TYR 14 -7.610 -17.875 -3.832 105 H ARG 15 H ARG 15 -2.310 -19.978 -5.989 106 HA ARG 15 HA ARG 15 -4.575 -20.762 -7.409 107 HB2 ARG 15 2HB ARG 15 -2.806 -18.576 -7.419 108 HB3 ARG 15 3HB ARG 15 -2.818 -19.186 -9.068 109 HG2 ARG 15 2HG ARG 15 -5.269 -18.450 -7.482 110 HG3 ARG 15 3HG ARG 15 -4.486 -17.423 -8.685 111 HD2 ARG 15 2HD ARG 15 -4.831 -19.789 -10.034 112 HD3 ARG 15 3HD ARG 15 -6.282 -19.696 -9.037 113 HE ARG 15 HE ARG 15 -5.677 -17.264 -10.449 114 HH11 ARG 15 1HH1 ARG 15 -7.274 -20.353 -10.604 115 HH12 ARG 15 2HH1 ARG 15 -8.392 -19.860 -11.833 116 HH21 ARG 15 1HH2 ARG 15 -7.143 -16.603 -12.066 117 HH22 ARG 15 2HH2 ARG 15 -8.316 -17.727 -12.664 118 H PHE 16 H PHE 16 -1.312 -21.798 -7.694 119 HA PHE 16 HA PHE 16 -1.073 -22.537 -10.337 120 HB2 PHE 16 2HB PHE 16 -0.093 -24.001 -7.879 121 HB3 PHE 16 3HB PHE 16 0.440 -24.349 -9.520 122 HD1 PHE 16 HD1 PHE 16 0.279 -21.251 -10.218 123 HD2 PHE 16 HD2 PHE 16 2.226 -23.568 -7.225 124 HE1 PHE 16 HE1 PHE 16 2.020 -19.524 -10.018 125 HE2 PHE 16 HE2 PHE 16 3.969 -21.844 -7.019 126 HZ PHE 16 HZ PHE 16 3.867 -19.819 -8.416
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