NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473315 | 2nvj | 15025 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1HT GLU 1 11.124 2.512 -19.152 2 H2 GLU 1 2HT GLU 1 10.095 3.839 -18.933 3 H3 GLU 1 3HT GLU 1 11.539 3.736 -18.053 4 HA GLU 1 HA GLU 1 11.268 4.063 -20.992 5 HB2 GLU 1 2HB GLU 1 12.453 6.241 -20.553 6 HB3 GLU 1 1HB GLU 1 10.805 6.159 -19.952 7 HG2 GLU 1 2HG GLU 1 13.156 5.609 -18.174 8 HG3 GLU 1 1HG GLU 1 12.593 7.247 -18.481 9 H PHE 2 H PHE 2 12.712 2.807 -21.905 10 HA PHE 2 HA PHE 2 15.355 2.570 -20.693 11 HB2 PHE 2 2HB PHE 2 14.182 0.491 -21.389 12 HB3 PHE 2 1HB PHE 2 14.213 1.063 -23.053 13 HD1 PHE 2 2HD PHE 2 16.467 0.276 -20.202 14 HD2 PHE 2 1HD PHE 2 16.004 0.525 -24.426 15 HE1 PHE 2 2HE PHE 2 18.683 -0.742 -20.499 16 HE2 PHE 2 1HE PHE 2 18.223 -0.494 -24.730 17 HZ PHE 2 HZ PHE 2 19.569 -1.121 -22.785 18 H CYS 3 H CYS 3 13.726 3.758 -23.582 19 HA CYS 3 HA CYS 3 16.289 4.906 -24.447 20 HB2 CYS 3 2HB CYS 3 14.150 4.539 -26.468 21 HB3 CYS 3 1HB CYS 3 15.896 4.393 -26.641 22 H LEU 4 H LEU 4 13.986 5.938 -22.750 23 HA LEU 4 HA LEU 4 12.795 7.840 -22.415 24 HB2 LEU 4 2HB LEU 4 14.688 8.841 -24.532 25 HB3 LEU 4 1HB LEU 4 13.508 9.878 -23.755 26 HG LEU 4 HG LEU 4 15.703 8.391 -22.314 27 HD11 LEU 4 1HD1 LEU 4 16.632 10.117 -23.748 28 HD12 LEU 4 2HD1 LEU 4 16.741 10.591 -22.051 29 HD13 LEU 4 3HD1 LEU 4 15.499 11.294 -23.086 30 HD21 LEU 4 3HD2 LEU 4 15.083 9.878 -20.438 31 HD22 LEU 4 1HD2 LEU 4 13.787 8.771 -20.894 32 HD23 LEU 4 2HD2 LEU 4 13.719 10.461 -21.390 33 H ASN 5 H ASN 5 12.521 6.149 -25.256 34 HA ASN 5 HA ASN 5 10.040 7.526 -25.912 35 HB2 ASN 5 2HB ASN 5 11.735 8.559 -27.361 36 HB3 ASN 5 1HB ASN 5 12.185 6.963 -27.973 37 HD21 ASN 5 1HD2 ASN 5 10.575 5.760 -29.155 38 HD22 ASN 5 2HD2 ASN 5 9.321 6.598 -30.002 39 H CYS 6 H CYS 6 12.192 4.890 -26.998 40 HA CYS 6 HA CYS 6 10.454 3.234 -28.288 41 HB2 CYS 6 2HB CYS 6 11.940 1.405 -27.784 42 HB3 CYS 6 1HB CYS 6 12.923 2.857 -27.949 43 H VAL 7 H VAL 7 10.728 3.731 -24.874 44 HA VAL 7 HA VAL 7 8.660 1.739 -24.352 45 HB VAL 7 HB VAL 7 10.678 3.101 -22.570 46 HG11 VAL 7 1HG1 VAL 7 8.396 1.291 -21.733 47 HG12 VAL 7 2HG1 VAL 7 8.550 3.006 -21.362 48 HG13 VAL 7 3HG1 VAL 7 9.698 1.854 -20.684 49 HG21 VAL 7 3HG2 VAL 7 11.361 0.774 -22.104 50 HG22 VAL 7 1HG2 VAL 7 11.518 1.205 -23.809 51 HG23 VAL 7 2HG2 VAL 7 10.162 0.209 -23.270 52 H SER 8 H SER 8 9.555 5.096 -23.726 53 HA SER 8 HA SER 8 7.342 5.742 -22.130 54 HB2 SER 8 2HB SER 8 9.017 7.661 -23.736 55 HB3 SER 8 1HB SER 8 8.143 7.989 -22.236 56 HG SER 8 HG SER 8 9.533 6.310 -21.295 57 H HIS 9 H HIS 9 7.952 6.315 -25.592 58 HA HIS 9 HA HIS 9 5.282 7.524 -25.751 59 HB2 HIS 9 2HB HIS 9 7.602 7.699 -27.673 60 HB3 HIS 9 1HB HIS 9 6.035 8.462 -27.916 61 HD1 HIS 9 1HD HIS 9 8.995 9.768 -27.514 62 HD2 HIS 9 2HD HIS 9 5.780 9.799 -24.870 63 HE1 HIS 9 1HE HIS 9 9.401 11.721 -25.981 64 HE2 HIS 9 2HE HIS 9 7.375 11.807 -24.475 65 H THR 10 H THR 10 7.177 4.833 -26.859 66 HA THR 10 HA THR 10 5.448 4.251 -29.078 67 HB THR 10 HB THR 10 7.474 2.419 -27.776 68 HG1 THR 10 1HG THR 10 7.753 4.652 -29.418 69 HG21 THR 10 3HG2 THR 10 5.886 1.302 -29.281 70 HG22 THR 10 1HG2 THR 10 7.510 1.324 -29.967 71 HG23 THR 10 2HG2 THR 10 6.288 2.450 -30.558 72 H ALA 11 H ALA 11 5.904 3.167 -25.788 73 HA ALA 11 HA ALA 11 4.578 2.122 -24.281 74 HB1 ALA 11 3HB ALA 11 2.355 2.570 -26.260 75 HB2 ALA 11 1HB ALA 11 2.875 3.709 -25.016 76 HB3 ALA 11 2HB ALA 11 2.173 2.159 -24.554 77 H SER 12 H SER 12 3.504 1.004 -27.483 78 HA SER 12 HA SER 12 2.566 -1.500 -26.776 79 HB2 SER 12 2HB SER 12 2.389 -0.272 -29.017 80 HB3 SER 12 1HB SER 12 3.984 -0.918 -29.378 81 HG SER 12 HG SER 12 2.970 -2.631 -30.017 82 H TYR 13 H TYR 13 5.807 -0.510 -27.707 83 HA TYR 13 HA TYR 13 6.962 -3.030 -28.046 84 HB2 TYR 13 2HB TYR 13 7.934 -0.949 -28.902 85 HB3 TYR 13 1HB TYR 13 8.238 -0.407 -27.259 86 HD1 TYR 13 2HD TYR 13 9.200 -2.914 -29.808 87 HD2 TYR 13 1HD TYR 13 10.240 -1.074 -26.116 88 HE1 TYR 13 2HE TYR 13 11.419 -3.965 -29.924 89 HE2 TYR 13 1HE TYR 13 12.468 -2.120 -26.222 90 HH TYR 13 HH TYR 13 13.699 -3.542 -29.028 91 H LEU 14 H LEU 14 6.112 -1.403 -25.154 92 HA LEU 14 HA LEU 14 8.030 -2.875 -23.533 93 HB2 LEU 14 2HB LEU 14 7.620 -0.545 -22.980 94 HB3 LEU 14 1HB LEU 14 5.907 -0.857 -22.786 95 HG LEU 14 HG LEU 14 6.477 -2.368 -20.861 96 HD11 LEU 14 1HD1 LEU 14 8.797 -2.826 -21.494 97 HD12 LEU 14 2HD1 LEU 14 8.684 -2.175 -19.857 98 HD13 LEU 14 3HD1 LEU 14 9.208 -1.138 -21.185 99 HD21 LEU 14 3HD2 LEU 14 6.911 -0.538 -19.295 100 HD22 LEU 14 1HD2 LEU 14 5.697 -0.092 -20.497 101 HD23 LEU 14 2HD2 LEU 14 7.350 0.507 -20.646 102 H ARG 15 H ARG 15 4.784 -3.163 -24.612 103 HA ARG 15 HA ARG 15 4.099 -4.954 -22.373 104 HB2 ARG 15 2HB ARG 15 2.712 -2.910 -22.633 105 HB3 ARG 15 1HB ARG 15 2.237 -3.469 -24.231 106 HG2 ARG 15 2HG ARG 15 1.236 -5.475 -23.205 107 HG3 ARG 15 1HG ARG 15 1.650 -4.830 -21.614 108 HD2 ARG 15 2HD ARG 15 -0.154 -3.499 -23.636 109 HD3 ARG 15 1HD ARG 15 -0.690 -4.404 -22.219 110 HE ARG 15 HE ARG 15 0.605 -2.642 -20.914 111 HH11 ARG 15 1HH1 ARG 15 -0.858 -1.976 -24.050 112 HH12 ARG 15 2HH1 ARG 15 -1.113 -0.283 -23.699 113 HH21 ARG 15 1HH2 ARG 15 0.184 -0.448 -20.434 114 HH22 ARG 15 2HH2 ARG 15 -0.592 0.563 -21.631 115 H LEU 16 H LEU 16 3.765 -4.580 -25.897 116 HA LEU 16 HA LEU 16 2.415 -7.075 -26.248 117 HB2 LEU 16 2HB LEU 16 2.290 -5.017 -27.721 118 HB3 LEU 16 1HB LEU 16 3.864 -5.465 -28.339 119 HG LEU 16 HG LEU 16 2.978 -7.534 -29.251 120 HD11 LEU 16 1HD1 LEU 16 0.573 -8.007 -29.150 121 HD12 LEU 16 2HD1 LEU 16 0.344 -6.616 -28.089 122 HD13 LEU 16 3HD1 LEU 16 1.304 -7.993 -27.548 123 HD21 LEU 16 3HD2 LEU 16 2.871 -5.529 -30.630 124 HD22 LEU 16 1HD2 LEU 16 1.288 -5.129 -29.962 125 HD23 LEU 16 2HD2 LEU 16 1.490 -6.576 -30.949 126 H TRP 17 H TRP 17 5.641 -6.196 -25.826 127 HA TRP 17 HA TRP 17 6.947 -8.314 -27.183 128 HB2 TRP 17 2HB TRP 17 7.985 -6.157 -26.396 129 HB3 TRP 17 1HB TRP 17 7.887 -6.768 -24.752 130 HD1 TRP 17 HD TRP 17 9.643 -8.643 -24.034 131 HE1 TRP 17 1HE TRP 17 11.886 -9.394 -25.054 132 HE3 TRP 17 3HE TRP 17 9.181 -6.497 -28.653 133 HZ2 TRP 17 2HZ TRP 17 13.268 -9.114 -27.496 134 HZ3 TRP 17 3HZ TRP 17 11.008 -6.790 -30.273 135 HH2 TRP 17 HH TRP 17 13.009 -8.068 -29.705 136 H ALA 18 H ALA 18 4.811 -8.422 -24.665 137 HA ALA 18 HA ALA 18 6.165 -10.691 -23.358 138 HB1 ALA 18 3HB ALA 18 5.642 -8.855 -21.858 139 HB2 ALA 18 1HB ALA 18 4.699 -10.286 -21.447 140 HB3 ALA 18 2HB ALA 18 3.940 -8.947 -22.309 141 H LEU 19 H LEU 19 3.993 -10.198 -25.735 142 HA LEU 19 HA LEU 19 2.827 -12.813 -25.316 143 HB2 LEU 19 2HB LEU 19 0.528 -12.106 -25.726 144 HB3 LEU 19 1HB LEU 19 1.162 -11.408 -24.250 145 HG LEU 19 HG LEU 19 1.224 -9.801 -26.774 146 HD11 LEU 19 1HD1 LEU 19 -1.055 -10.609 -26.673 147 HD12 LEU 19 2HD1 LEU 19 -1.008 -8.911 -26.193 148 HD13 LEU 19 3HD1 LEU 19 -1.162 -10.173 -24.969 149 HD21 LEU 19 3HD2 LEU 19 2.367 -8.956 -24.790 150 HD22 LEU 19 1HD2 LEU 19 0.875 -9.109 -23.860 151 HD23 LEU 19 2HD2 LEU 19 0.973 -7.953 -25.189 152 H SER 20 H SER 20 4.751 -11.698 -27.144 153 HA SER 20 HA SER 20 3.288 -11.488 -29.661 154 HB2 SER 20 2HB SER 20 5.138 -9.906 -29.297 155 HB3 SER 20 1HB SER 20 6.260 -11.252 -29.105 156 HG SER 20 HG SER 20 6.020 -10.143 -31.280 157 H LEU 21 H LEU 21 3.022 -13.160 -31.002 158 HA LEU 21 HA LEU 21 4.232 -15.702 -30.241 159 HB2 LEU 21 2HB LEU 21 2.038 -15.024 -32.203 160 HB3 LEU 21 1HB LEU 21 2.667 -16.641 -31.969 161 HG LEU 21 HG LEU 21 1.339 -15.013 -29.805 162 HD11 LEU 21 1HD1 LEU 21 0.225 -17.320 -31.399 163 HD12 LEU 21 2HD1 LEU 21 -0.189 -15.627 -31.656 164 HD13 LEU 21 3HD1 LEU 21 -0.598 -16.411 -30.131 165 HD21 LEU 21 3HD2 LEU 21 2.174 -17.912 -29.919 166 HD22 LEU 21 1HD2 LEU 21 1.272 -17.155 -28.605 167 HD23 LEU 21 2HD2 LEU 21 2.925 -16.646 -28.948 168 H ALA 22 H ALA 22 3.946 -13.545 -33.023 169 HA ALA 22 HA ALA 22 6.421 -14.670 -34.086 170 HB1 ALA 22 3HB ALA 22 3.904 -14.567 -35.750 171 HB2 ALA 22 1HB ALA 22 4.657 -16.028 -35.106 172 HB3 ALA 22 2HB ALA 22 5.506 -15.055 -36.307 173 H HIS 23 H HIS 23 3.939 -12.192 -34.174 174 HA HIS 23 HA HIS 23 5.860 -10.221 -34.938 175 HB2 HIS 23 2HB HIS 23 4.718 -9.433 -36.957 176 HB3 HIS 23 1HB HIS 23 5.328 -11.067 -37.164 177 HD1 HIS 23 1HD HIS 23 2.381 -9.067 -37.704 178 HD2 HIS 23 2HD HIS 23 3.115 -13.058 -36.766 179 HE1 HIS 23 1HE HIS 23 0.261 -10.302 -38.262 180 HE2 HIS 23 2HE HIS 23 0.660 -12.668 -37.496 181 H ALA 24 H ALA 24 5.450 -8.659 -33.588 182 HA ALA 24 HA ALA 24 3.055 -8.062 -32.314 183 HB1 ALA 24 3HB ALA 24 4.037 -5.865 -31.868 184 HB2 ALA 24 1HB ALA 24 5.262 -6.158 -33.099 185 HB3 ALA 24 2HB ALA 24 5.228 -7.145 -31.637 186 H GLN 25 H GLN 25 4.372 -6.841 -35.350 187 HA GLN 25 HA GLN 25 1.757 -5.669 -35.996 188 HB2 GLN 25 2HB GLN 25 3.568 -4.037 -36.022 189 HB3 GLN 25 1HB GLN 25 4.512 -5.074 -37.082 190 HG2 GLN 25 2HG GLN 25 2.950 -4.747 -38.877 191 HG3 GLN 25 1HG GLN 25 1.872 -3.832 -37.823 192 HE21 GLN 25 1HE2 GLN 25 1.970 -2.042 -39.204 193 HE22 GLN 25 2HE2 GLN 25 3.377 -1.016 -39.257 Start of MODEL 2 1 H1 GLU 1 1HT GLU 1 7.944 6.181 -18.566 2 H2 GLU 1 2HT GLU 1 9.299 5.941 -17.580 3 H3 GLU 1 3HT GLU 1 8.571 4.617 -18.340 4 HA GLU 1 HA GLU 1 9.215 5.417 -20.492 5 HB2 GLU 1 2HB GLU 1 10.538 7.686 -18.981 6 HB3 GLU 1 1HB GLU 1 10.654 7.404 -20.708 7 HG2 GLU 1 2HG GLU 1 9.097 9.150 -20.398 8 HG3 GLU 1 1HG GLU 1 8.173 7.717 -20.833 9 H PHE 2 H PHE 2 10.247 3.475 -20.369 10 HA PHE 2 HA PHE 2 12.497 2.968 -18.714 11 HB2 PHE 2 2HB PHE 2 10.922 1.226 -19.589 12 HB3 PHE 2 1HB PHE 2 11.637 1.455 -21.181 13 HD1 PHE 2 2HD PHE 2 12.741 0.816 -17.681 14 HD2 PHE 2 1HD PHE 2 13.267 -0.022 -21.820 15 HE1 PHE 2 2HE PHE 2 14.499 -0.807 -17.120 16 HE2 PHE 2 1HE PHE 2 15.027 -1.648 -21.270 17 HZ PHE 2 HZ PHE 2 15.644 -2.042 -18.918 18 H CYS 3 H CYS 3 12.261 3.345 -22.270 19 HA CYS 3 HA CYS 3 15.129 3.919 -22.256 20 HB2 CYS 3 2HB CYS 3 13.716 3.520 -24.829 21 HB3 CYS 3 1HB CYS 3 15.318 2.983 -24.339 22 H LEU 4 H LEU 4 12.684 5.736 -21.790 23 HA LEU 4 HA LEU 4 12.014 7.855 -22.247 24 HB2 LEU 4 2HB LEU 4 14.777 7.979 -23.431 25 HB3 LEU 4 1HB LEU 4 13.721 9.370 -23.372 26 HG LEU 4 HG LEU 4 15.228 9.565 -21.557 27 HD11 LEU 4 1HD1 LEU 4 13.754 9.597 -19.640 28 HD12 LEU 4 2HD1 LEU 4 12.615 8.541 -20.472 29 HD13 LEU 4 3HD1 LEU 4 12.912 10.171 -21.078 30 HD21 LEU 4 3HD2 LEU 4 14.436 6.769 -20.754 31 HD22 LEU 4 1HD2 LEU 4 15.497 7.844 -19.842 32 HD23 LEU 4 2HD2 LEU 4 15.989 7.260 -21.431 33 H ASN 5 H ASN 5 12.058 5.595 -24.452 34 HA ASN 5 HA ASN 5 10.668 7.202 -26.424 35 HB2 ASN 5 2HB ASN 5 12.948 7.291 -27.293 36 HB3 ASN 5 1HB ASN 5 13.088 5.539 -27.158 37 HD21 ASN 5 1HD2 ASN 5 11.853 4.217 -28.566 38 HD22 ASN 5 2HD2 ASN 5 11.241 4.844 -30.073 39 H CYS 6 H CYS 6 11.979 3.987 -25.750 40 HA CYS 6 HA CYS 6 10.227 2.511 -27.318 41 HB2 CYS 6 2HB CYS 6 10.827 0.600 -25.915 42 HB3 CYS 6 1HB CYS 6 12.255 1.581 -26.237 43 H VAL 7 H VAL 7 9.782 4.070 -24.300 44 HA VAL 7 HA VAL 7 7.167 2.842 -23.981 45 HB VAL 7 HB VAL 7 8.942 4.333 -22.045 46 HG11 VAL 7 1HG1 VAL 7 7.186 4.075 -20.354 47 HG12 VAL 7 2HG1 VAL 7 6.096 3.406 -21.569 48 HG13 VAL 7 3HG1 VAL 7 6.629 5.084 -21.689 49 HG21 VAL 7 3HG2 VAL 7 7.769 1.552 -22.023 50 HG22 VAL 7 1HG2 VAL 7 8.819 2.241 -20.784 51 HG23 VAL 7 2HG2 VAL 7 9.436 1.975 -22.417 52 H SER 8 H SER 8 8.756 6.009 -23.897 53 HA SER 8 HA SER 8 6.414 7.516 -23.542 54 HB2 SER 8 2HB SER 8 8.775 8.714 -24.889 55 HB3 SER 8 1HB SER 8 7.851 9.293 -23.500 56 HG SER 8 HG SER 8 9.782 8.608 -22.690 57 H HIS 9 H HIS 9 8.041 6.337 -26.395 58 HA HIS 9 HA HIS 9 6.318 7.994 -28.115 59 HB2 HIS 9 2HB HIS 9 8.750 8.394 -28.311 60 HB3 HIS 9 1HB HIS 9 8.994 6.699 -28.704 61 HD1 HIS 9 1HD HIS 9 7.372 9.818 -30.141 62 HD2 HIS 9 2HD HIS 9 8.841 6.118 -31.358 63 HE1 HIS 9 1HE HIS 9 7.257 9.827 -32.659 64 HE2 HIS 9 2HE HIS 9 8.052 7.536 -33.368 65 H THR 10 H THR 10 6.353 4.986 -26.872 66 HA THR 10 HA THR 10 4.921 3.904 -29.157 67 HB THR 10 HB THR 10 7.231 2.393 -27.922 68 HG1 THR 10 1HG THR 10 7.014 4.108 -30.094 69 HG21 THR 10 3HG2 THR 10 5.408 0.942 -28.705 70 HG22 THR 10 1HG2 THR 10 6.836 0.785 -29.728 71 HG23 THR 10 2HG2 THR 10 5.454 1.733 -30.283 72 H ALA 11 H ALA 11 6.291 2.784 -26.073 73 HA ALA 11 HA ALA 11 5.392 1.800 -24.246 74 HB1 ALA 11 3HB ALA 11 2.738 2.787 -25.259 75 HB2 ALA 11 1HB ALA 11 3.822 3.667 -24.183 76 HB3 ALA 11 2HB ALA 11 3.059 2.173 -23.636 77 H SER 12 H SER 12 3.402 1.165 -27.053 78 HA SER 12 HA SER 12 2.569 -1.391 -26.615 79 HB2 SER 12 2HB SER 12 3.724 -0.146 -29.092 80 HB3 SER 12 1HB SER 12 2.823 -1.641 -29.048 81 HG SER 12 HG SER 12 1.749 0.609 -29.422 82 H TYR 13 H TYR 13 5.778 -0.307 -27.471 83 HA TYR 13 HA TYR 13 6.942 -2.708 -28.246 84 HB2 TYR 13 2HB TYR 13 7.898 -0.399 -28.474 85 HB3 TYR 13 1HB TYR 13 8.308 -0.459 -26.766 86 HD1 TYR 13 2HD TYR 13 8.913 -2.222 -29.999 87 HD2 TYR 13 1HD TYR 13 10.352 -1.359 -26.088 88 HE1 TYR 13 2HE TYR 13 11.053 -3.304 -30.554 89 HE2 TYR 13 1HE TYR 13 12.497 -2.440 -26.631 90 HH TYR 13 HH TYR 13 13.320 -3.369 -29.866 91 H LEU 14 H LEU 14 6.327 -1.430 -25.041 92 HA LEU 14 HA LEU 14 7.675 -3.744 -23.841 93 HB2 LEU 14 2HB LEU 14 6.809 -1.088 -22.739 94 HB3 LEU 14 1HB LEU 14 7.136 -2.440 -21.674 95 HG LEU 14 HG LEU 14 9.077 -1.028 -21.765 96 HD11 LEU 14 1HD1 LEU 14 9.478 -3.414 -21.607 97 HD12 LEU 14 2HD1 LEU 14 10.755 -2.629 -22.533 98 HD13 LEU 14 3HD1 LEU 14 9.500 -3.548 -23.365 99 HD21 LEU 14 3HD2 LEU 14 10.294 -0.639 -23.859 100 HD22 LEU 14 1HD2 LEU 14 8.688 0.085 -23.879 101 HD23 LEU 14 2HD2 LEU 14 8.989 -1.416 -24.755 102 H ARG 15 H ARG 15 4.630 -2.694 -24.755 103 HA ARG 15 HA ARG 15 3.155 -4.085 -22.700 104 HB2 ARG 15 2HB ARG 15 2.215 -2.092 -23.802 105 HB3 ARG 15 1HB ARG 15 2.242 -2.933 -25.344 106 HG2 ARG 15 2HG ARG 15 0.604 -4.512 -24.569 107 HG3 ARG 15 1HG ARG 15 0.642 -3.805 -22.952 108 HD2 ARG 15 2HD ARG 15 -0.236 -2.398 -25.476 109 HD3 ARG 15 1HD ARG 15 -1.306 -3.044 -24.230 110 HE ARG 15 HE ARG 15 0.315 -1.368 -22.856 111 HH11 ARG 15 1HH1 ARG 15 -1.661 -0.961 -25.728 112 HH12 ARG 15 2HH1 ARG 15 -1.974 0.719 -25.401 113 HH21 ARG 15 1HH2 ARG 15 -0.075 0.822 -22.454 114 HH22 ARG 15 2HH2 ARG 15 -1.089 1.735 -23.550 115 H LEU 16 H LEU 16 4.278 -4.646 -25.966 116 HA LEU 16 HA LEU 16 3.010 -7.260 -26.070 117 HB2 LEU 16 2HB LEU 16 3.124 -5.772 -28.067 118 HB3 LEU 16 1HB LEU 16 4.868 -5.924 -28.042 119 HG LEU 16 HG LEU 16 4.616 -8.373 -28.442 120 HD11 LEU 16 1HD1 LEU 16 1.717 -7.645 -28.767 121 HD12 LEU 16 2HD1 LEU 16 2.402 -8.708 -27.538 122 HD13 LEU 16 3HD1 LEU 16 2.438 -9.182 -29.237 123 HD21 LEU 16 3HD2 LEU 16 3.306 -6.562 -30.465 124 HD22 LEU 16 1HD2 LEU 16 3.992 -8.153 -30.791 125 HD23 LEU 16 2HD2 LEU 16 5.041 -6.830 -30.279 126 H TRP 17 H TRP 17 5.995 -5.835 -25.173 127 HA TRP 17 HA TRP 17 7.728 -8.034 -25.583 128 HB2 TRP 17 2HB TRP 17 8.409 -5.629 -25.173 129 HB3 TRP 17 1HB TRP 17 8.004 -5.879 -23.479 130 HD1 TRP 17 HD TRP 17 9.659 -7.429 -22.040 131 HE1 TRP 17 1HE TRP 17 12.088 -8.195 -22.436 132 HE3 TRP 17 3HE TRP 17 10.061 -6.287 -27.010 133 HZ2 TRP 17 2HZ TRP 17 13.925 -8.280 -24.577 134 HZ3 TRP 17 3HZ TRP 17 12.195 -6.735 -28.156 135 HH2 TRP 17 HH TRP 17 14.086 -7.713 -26.958 136 H ALA 18 H ALA 18 6.870 -9.904 -24.819 137 HA ALA 18 HA ALA 18 7.294 -10.608 -22.135 138 HB1 ALA 18 3HB ALA 18 4.993 -11.055 -21.401 139 HB2 ALA 18 1HB ALA 18 4.384 -10.293 -22.871 140 HB3 ALA 18 2HB ALA 18 5.256 -9.334 -21.679 141 H LEU 19 H LEU 19 5.008 -11.345 -24.746 142 HA LEU 19 HA LEU 19 6.079 -14.086 -24.837 143 HB2 LEU 19 2HB LEU 19 3.161 -13.303 -24.947 144 HB3 LEU 19 1HB LEU 19 3.776 -14.920 -25.221 145 HG LEU 19 HG LEU 19 4.037 -13.415 -22.610 146 HD11 LEU 19 1HD1 LEU 19 2.129 -15.590 -23.442 147 HD12 LEU 19 2HD1 LEU 19 1.712 -13.924 -23.040 148 HD13 LEU 19 3HD1 LEU 19 2.338 -15.005 -21.793 149 HD21 LEU 19 3HD2 LEU 19 4.542 -16.312 -23.274 150 HD22 LEU 19 1HD2 LEU 19 4.741 -15.543 -21.701 151 HD23 LEU 19 2HD2 LEU 19 5.799 -15.096 -23.041 152 H SER 20 H SER 20 6.569 -11.680 -26.411 153 HA SER 20 HA SER 20 5.153 -12.105 -28.910 154 HB2 SER 20 2HB SER 20 5.527 -9.807 -28.115 155 HB3 SER 20 1HB SER 20 7.271 -10.068 -28.151 156 HG SER 20 HG SER 20 6.990 -9.225 -30.102 157 H LEU 21 H LEU 21 5.981 -13.076 -30.673 158 HA LEU 21 HA LEU 21 8.545 -14.373 -30.457 159 HB2 LEU 21 2HB LEU 21 6.618 -15.466 -31.572 160 HB3 LEU 21 1HB LEU 21 6.650 -14.228 -32.812 161 HG LEU 21 HG LEU 21 8.912 -15.003 -33.477 162 HD11 LEU 21 1HD1 LEU 21 9.620 -15.923 -31.339 163 HD12 LEU 21 2HD1 LEU 21 9.753 -17.127 -32.622 164 HD13 LEU 21 3HD1 LEU 21 8.411 -17.199 -31.480 165 HD21 LEU 21 3HD2 LEU 21 6.932 -15.844 -34.630 166 HD22 LEU 21 1HD2 LEU 21 6.803 -17.158 -33.462 167 HD23 LEU 21 2HD2 LEU 21 8.193 -17.075 -34.546 168 H ALA 22 H ALA 22 9.940 -12.627 -30.260 169 HA ALA 22 HA ALA 22 9.991 -10.647 -32.407 170 HB1 ALA 22 3HB ALA 22 11.502 -9.386 -30.974 171 HB2 ALA 22 1HB ALA 22 11.547 -10.725 -29.825 172 HB3 ALA 22 2HB ALA 22 10.045 -9.843 -30.090 173 H HIS 23 H HIS 23 11.332 -13.572 -31.754 174 HA HIS 23 HA HIS 23 13.439 -13.130 -33.661 175 HB2 HIS 23 2HB HIS 23 15.210 -14.086 -32.275 176 HB3 HIS 23 1HB HIS 23 14.580 -12.610 -31.557 177 HD1 HIS 23 1HD HIS 23 15.457 -16.009 -30.697 178 HD2 HIS 23 2HD HIS 23 12.644 -13.228 -29.379 179 HE1 HIS 23 1HE HIS 23 14.713 -16.798 -28.422 180 HE2 HIS 23 2HE HIS 23 12.862 -15.218 -27.743 181 H ALA 24 H ALA 24 13.357 -14.728 -35.064 182 HA ALA 24 HA ALA 24 12.108 -17.236 -34.449 183 HB1 ALA 24 3HB ALA 24 12.750 -17.862 -36.740 184 HB2 ALA 24 1HB ALA 24 13.698 -16.380 -36.870 185 HB3 ALA 24 2HB ALA 24 11.945 -16.293 -36.691 186 H GLN 25 H GLN 25 15.248 -15.880 -34.360 187 HA GLN 25 HA GLN 25 16.363 -18.451 -33.497 188 HB2 GLN 25 2HB GLN 25 17.338 -17.664 -35.615 189 HB3 GLN 25 1HB GLN 25 17.725 -16.126 -34.859 190 HG2 GLN 25 2HG GLN 25 19.297 -17.217 -33.375 191 HG3 GLN 25 1HG GLN 25 18.857 -18.791 -34.037 192 HE21 GLN 25 1HE2 GLN 25 20.941 -19.239 -34.715 193 HE22 GLN 25 2HE2 GLN 25 21.658 -18.440 -36.088 Start of MODEL 3 1 H1 GLU 1 1HT GLU 1 4.305 3.486 -17.170 2 H2 GLU 1 2HT GLU 1 4.953 4.273 -15.816 3 H3 GLU 1 3HT GLU 1 5.533 2.744 -16.261 4 HA GLU 1 HA GLU 1 6.323 3.702 -18.371 5 HB2 GLU 1 2HB GLU 1 4.832 5.630 -18.451 6 HB3 GLU 1 1HB GLU 1 5.542 6.271 -16.975 7 HG2 GLU 1 2HG GLU 1 6.358 7.425 -18.953 8 HG3 GLU 1 1HG GLU 1 7.658 6.587 -18.102 9 H PHE 2 H PHE 2 8.435 3.503 -18.286 10 HA PHE 2 HA PHE 2 9.883 4.389 -15.882 11 HB2 PHE 2 2HB PHE 2 9.687 1.909 -16.229 12 HB3 PHE 2 1HB PHE 2 10.589 2.094 -17.720 13 HD1 PHE 2 2HD PHE 2 10.804 2.452 -14.051 14 HD2 PHE 2 1HD PHE 2 12.935 2.233 -17.728 15 HE1 PHE 2 2HE PHE 2 12.915 2.232 -12.814 16 HE2 PHE 2 1HE PHE 2 15.048 2.014 -16.498 17 HZ PHE 2 HZ PHE 2 15.038 1.976 -14.030 18 H CYS 3 H CYS 3 9.554 4.622 -19.292 19 HA CYS 3 HA CYS 3 12.311 5.611 -19.586 20 HB2 CYS 3 2HB CYS 3 11.615 3.596 -20.923 21 HB3 CYS 3 1HB CYS 3 10.469 4.630 -21.768 22 H LEU 4 H LEU 4 9.385 6.811 -19.043 23 HA LEU 4 HA LEU 4 8.319 8.791 -19.338 24 HB2 LEU 4 2HB LEU 4 11.049 9.676 -20.267 25 HB3 LEU 4 1HB LEU 4 9.711 10.767 -19.951 26 HG LEU 4 HG LEU 4 11.064 8.989 -17.918 27 HD11 LEU 4 1HD1 LEU 4 11.869 11.071 -16.953 28 HD12 LEU 4 2HD1 LEU 4 11.068 11.990 -18.228 29 HD13 LEU 4 3HD1 LEU 4 12.409 10.915 -18.627 30 HD21 LEU 4 3HD2 LEU 4 8.831 10.991 -17.580 31 HD22 LEU 4 1HD2 LEU 4 9.641 10.114 -16.281 32 HD23 LEU 4 2HD2 LEU 4 8.676 9.237 -17.473 33 H ASN 5 H ASN 5 8.311 6.868 -21.529 34 HA ASN 5 HA ASN 5 6.970 8.113 -23.555 35 HB2 ASN 5 2HB ASN 5 8.965 9.434 -24.078 36 HB3 ASN 5 1HB ASN 5 9.932 7.965 -24.194 37 HD21 ASN 5 1HD2 ASN 5 9.509 6.511 -25.941 38 HD22 ASN 5 2HD2 ASN 5 8.775 7.076 -27.405 39 H CYS 6 H CYS 6 9.565 5.778 -23.016 40 HA CYS 6 HA CYS 6 9.002 4.281 -25.339 41 HB2 CYS 6 2HB CYS 6 10.508 3.340 -22.904 42 HB3 CYS 6 1HB CYS 6 10.676 2.754 -24.559 43 H VAL 7 H VAL 7 7.595 4.318 -22.266 44 HA VAL 7 HA VAL 7 6.409 1.691 -22.690 45 HB VAL 7 HB VAL 7 6.597 3.423 -20.228 46 HG11 VAL 7 1HG1 VAL 7 4.462 2.219 -20.224 47 HG12 VAL 7 2HG1 VAL 7 5.561 1.550 -19.017 48 HG13 VAL 7 3HG1 VAL 7 5.309 0.706 -20.543 49 HG21 VAL 7 3HG2 VAL 7 8.016 1.616 -19.388 50 HG22 VAL 7 1HG2 VAL 7 8.660 2.286 -20.888 51 HG23 VAL 7 2HG2 VAL 7 7.805 0.742 -20.908 52 H SER 8 H SER 8 5.530 5.056 -21.979 53 HA SER 8 HA SER 8 2.718 4.507 -22.175 54 HB2 SER 8 2HB SER 8 4.060 7.209 -22.117 55 HB3 SER 8 1HB SER 8 2.389 6.834 -21.687 56 HG SER 8 HG SER 8 4.762 6.093 -20.328 57 H HIS 9 H HIS 9 4.873 6.658 -24.024 58 HA HIS 9 HA HIS 9 2.948 7.157 -26.049 59 HB2 HIS 9 2HB HIS 9 5.939 7.605 -26.024 60 HB3 HIS 9 1HB HIS 9 4.865 8.164 -27.301 61 HD1 HIS 9 1HD HIS 9 6.604 10.057 -25.539 62 HD2 HIS 9 2HD HIS 9 2.588 9.213 -24.922 63 HE1 HIS 9 1HE HIS 9 5.694 12.017 -24.272 64 HE2 HIS 9 2HE HIS 9 3.208 11.625 -24.209 65 H THR 10 H THR 10 5.709 4.955 -25.819 66 HA THR 10 HA THR 10 5.407 4.061 -28.542 67 HB THR 10 HB THR 10 7.042 2.741 -26.377 68 HG1 THR 10 1HG THR 10 7.655 5.023 -27.980 69 HG21 THR 10 3HG2 THR 10 8.466 2.074 -28.269 70 HG22 THR 10 1HG2 THR 10 7.354 2.885 -29.373 71 HG23 THR 10 2HG2 THR 10 6.812 1.483 -28.451 72 H ALA 11 H ALA 11 5.000 2.738 -25.303 73 HA ALA 11 HA ALA 11 3.682 1.144 -24.383 74 HB1 ALA 11 3HB ALA 11 1.478 0.783 -25.308 75 HB2 ALA 11 1HB ALA 11 1.979 1.514 -26.833 76 HB3 ALA 11 2HB ALA 11 1.905 2.493 -25.369 77 H SER 12 H SER 12 3.526 0.381 -27.837 78 HA SER 12 HA SER 12 3.112 -2.322 -27.682 79 HB2 SER 12 2HB SER 12 3.238 -0.627 -29.676 80 HB3 SER 12 1HB SER 12 4.884 -1.212 -29.816 81 HG SER 12 HG SER 12 4.201 -3.154 -30.407 82 H TYR 13 H TYR 13 6.226 -0.633 -27.789 83 HA TYR 13 HA TYR 13 7.754 -2.940 -28.331 84 HB2 TYR 13 2HB TYR 13 8.334 -0.500 -28.751 85 HB3 TYR 13 1HB TYR 13 8.767 -0.404 -27.054 86 HD1 TYR 13 2HD TYR 13 9.653 -1.845 -30.317 87 HD2 TYR 13 1HD TYR 13 10.833 -1.400 -26.248 88 HE1 TYR 13 2HE TYR 13 11.898 -2.672 -30.882 89 HE2 TYR 13 1HE TYR 13 13.083 -2.223 -26.813 90 HH TYR 13 HH TYR 13 14.172 -2.538 -30.031 91 H LEU 14 H LEU 14 6.498 -1.643 -25.373 92 HA LEU 14 HA LEU 14 8.280 -3.400 -23.829 93 HB2 LEU 14 2HB LEU 14 7.001 -0.783 -23.171 94 HB3 LEU 14 1HB LEU 14 7.318 -1.915 -21.876 95 HG LEU 14 HG LEU 14 9.121 -0.333 -21.986 96 HD11 LEU 14 1HD1 LEU 14 9.697 -2.633 -21.413 97 HD12 LEU 14 2HD1 LEU 14 11.022 -1.829 -22.253 98 HD13 LEU 14 3HD1 LEU 14 10.002 -2.983 -23.111 99 HD21 LEU 14 3HD2 LEU 14 8.918 0.407 -24.276 100 HD22 LEU 14 1HD2 LEU 14 9.443 -1.176 -24.859 101 HD23 LEU 14 2HD2 LEU 14 10.564 -0.147 -23.965 102 H ARG 15 H ARG 15 4.903 -2.368 -24.169 103 HA ARG 15 HA ARG 15 4.094 -4.303 -22.141 104 HB2 ARG 15 2HB ARG 15 3.130 -2.038 -22.074 105 HB3 ARG 15 1HB ARG 15 2.471 -2.273 -23.686 106 HG2 ARG 15 2HG ARG 15 0.752 -2.532 -22.004 107 HG3 ARG 15 1HG ARG 15 1.036 -4.057 -22.844 108 HD2 ARG 15 2HD ARG 15 2.364 -4.866 -20.977 109 HD3 ARG 15 1HD ARG 15 2.185 -3.315 -20.156 110 HE ARG 15 HE ARG 15 -0.372 -4.048 -20.470 111 HH11 ARG 15 1HH1 ARG 15 2.387 -5.828 -19.226 112 HH12 ARG 15 2HH1 ARG 15 1.416 -6.855 -18.201 113 HH21 ARG 15 1HH2 ARG 15 -1.620 -5.325 -19.105 114 HH22 ARG 15 2HH2 ARG 15 -0.879 -6.566 -18.126 115 H LEU 16 H LEU 16 3.765 -3.761 -25.615 116 HA LEU 16 HA LEU 16 2.023 -6.104 -25.784 117 HB2 LEU 16 2HB LEU 16 2.786 -4.099 -27.901 118 HB3 LEU 16 1HB LEU 16 1.670 -5.431 -28.134 119 HG LEU 16 HG LEU 16 1.261 -3.112 -26.239 120 HD11 LEU 16 1HD1 LEU 16 -0.513 -2.457 -27.782 121 HD12 LEU 16 2HD1 LEU 16 -0.080 -3.790 -28.852 122 HD13 LEU 16 3HD1 LEU 16 1.057 -2.472 -28.583 123 HD21 LEU 16 3HD2 LEU 16 -0.971 -4.029 -25.921 124 HD22 LEU 16 1HD2 LEU 16 0.255 -5.188 -25.418 125 HD23 LEU 16 2HD2 LEU 16 -0.575 -5.396 -26.958 126 H TRP 17 H TRP 17 5.183 -5.677 -25.621 127 HA TRP 17 HA TRP 17 6.148 -7.247 -27.813 128 HB2 TRP 17 2HB TRP 17 7.511 -5.585 -26.458 129 HB3 TRP 17 1HB TRP 17 7.512 -6.762 -25.149 130 HD1 TRP 17 HD TRP 17 9.015 -8.980 -25.516 131 HE1 TRP 17 1HE TRP 17 11.007 -9.458 -27.082 132 HE3 TRP 17 3HE TRP 17 8.443 -5.055 -28.727 133 HZ2 TRP 17 2HZ TRP 17 12.179 -8.290 -29.390 134 HZ3 TRP 17 3HZ TRP 17 10.033 -4.798 -30.581 135 HH2 TRP 17 HH TRP 17 11.860 -6.379 -30.904 136 H ALA 18 H ALA 18 4.483 -7.907 -25.008 137 HA ALA 18 HA ALA 18 5.476 -10.651 -24.756 138 HB1 ALA 18 3HB ALA 18 5.392 -9.371 -22.672 139 HB2 ALA 18 1HB ALA 18 4.234 -10.703 -22.635 140 HB3 ALA 18 2HB ALA 18 3.676 -9.056 -22.930 141 H LEU 19 H LEU 19 4.031 -12.371 -24.896 142 HA LEU 19 HA LEU 19 2.343 -13.583 -25.793 143 HB2 LEU 19 2HB LEU 19 0.765 -11.017 -25.555 144 HB3 LEU 19 1HB LEU 19 0.084 -12.539 -26.093 145 HG LEU 19 HG LEU 19 1.296 -12.057 -23.370 146 HD11 LEU 19 1HD1 LEU 19 -1.015 -12.197 -22.567 147 HD12 LEU 19 2HD1 LEU 19 -1.587 -12.280 -24.235 148 HD13 LEU 19 3HD1 LEU 19 -0.780 -10.825 -23.646 149 HD21 LEU 19 3HD2 LEU 19 1.510 -14.367 -24.133 150 HD22 LEU 19 1HD2 LEU 19 -0.216 -14.418 -24.487 151 HD23 LEU 19 2HD2 LEU 19 0.338 -14.238 -22.821 152 H SER 20 H SER 20 3.938 -11.156 -27.278 153 HA SER 20 HA SER 20 2.669 -11.347 -29.838 154 HB2 SER 20 2HB SER 20 4.036 -9.359 -29.031 155 HB3 SER 20 1HB SER 20 5.461 -10.376 -29.251 156 HG SER 20 HG SER 20 3.677 -10.157 -31.393 157 H LEU 21 H LEU 21 2.693 -13.772 -29.613 158 HA LEU 21 HA LEU 21 5.088 -15.244 -29.545 159 HB2 LEU 21 2HB LEU 21 2.667 -15.987 -29.082 160 HB3 LEU 21 1HB LEU 21 2.537 -16.202 -30.810 161 HG LEU 21 HG LEU 21 2.989 -18.291 -29.503 162 HD11 LEU 21 1HD1 LEU 21 4.634 -19.199 -31.049 163 HD12 LEU 21 2HD1 LEU 21 5.078 -17.565 -31.548 164 HD13 LEU 21 3HD1 LEU 21 3.461 -18.182 -31.888 165 HD21 LEU 21 3HD2 LEU 21 5.282 -18.700 -28.745 166 HD22 LEU 21 1HD2 LEU 21 4.511 -17.393 -27.846 167 HD23 LEU 21 2HD2 LEU 21 5.696 -17.020 -29.103 168 H ALA 22 H ALA 22 3.040 -14.184 -32.247 169 HA ALA 22 HA ALA 22 5.397 -14.312 -33.944 170 HB1 ALA 22 3HB ALA 22 2.860 -15.784 -34.672 171 HB2 ALA 22 1HB ALA 22 4.393 -16.525 -34.211 172 HB3 ALA 22 2HB ALA 22 4.279 -15.591 -35.700 173 H HIS 23 H HIS 23 2.000 -13.396 -33.556 174 HA HIS 23 HA HIS 23 2.158 -11.711 -35.889 175 HB2 HIS 23 2HB HIS 23 -0.155 -11.164 -35.546 176 HB3 HIS 23 1HB HIS 23 0.058 -12.899 -35.382 177 HD1 HIS 23 1HD HIS 23 -2.287 -12.796 -34.196 178 HD2 HIS 23 2HD HIS 23 0.797 -10.928 -32.123 179 HE1 HIS 23 1HE HIS 23 -3.166 -12.408 -31.871 180 HE2 HIS 23 2HE HIS 23 -1.380 -11.043 -30.731 181 H ALA 24 H ALA 24 1.734 -9.459 -35.903 182 HA ALA 24 HA ALA 24 2.717 -8.095 -33.483 183 HB1 ALA 24 3HB ALA 24 2.735 -7.201 -36.371 184 HB2 ALA 24 1HB ALA 24 4.130 -7.757 -35.441 185 HB3 ALA 24 2HB ALA 24 3.323 -6.250 -35.005 186 H GLN 25 H GLN 25 0.052 -8.608 -35.523 187 HA GLN 25 HA GLN 25 -1.373 -6.217 -34.662 188 HB2 GLN 25 2HB GLN 25 -1.510 -6.956 -37.022 189 HB3 GLN 25 1HB GLN 25 -2.209 -8.478 -36.495 190 HG2 GLN 25 2HG GLN 25 -3.999 -7.154 -37.251 191 HG3 GLN 25 1HG GLN 25 -4.084 -7.130 -35.492 192 HE21 GLN 25 1HE2 GLN 25 -1.698 -5.296 -37.234 193 HE22 GLN 25 2HE2 GLN 25 -2.370 -3.732 -36.912 Start of MODEL 4 1 H1 GLU 1 1HT GLU 1 13.548 3.945 -18.325 2 H2 GLU 1 2HT GLU 1 12.175 4.939 -18.214 3 H3 GLU 1 3HT GLU 1 13.727 5.623 -18.192 4 HA GLU 1 HA GLU 1 12.547 4.161 -20.468 5 HB2 GLU 1 2HB GLU 1 12.200 6.856 -19.579 6 HB3 GLU 1 1HB GLU 1 13.108 6.859 -21.089 7 HG2 GLU 1 2HG GLU 1 10.526 5.395 -20.677 8 HG3 GLU 1 1HG GLU 1 10.659 7.005 -21.382 9 H PHE 2 H PHE 2 14.101 3.160 -21.451 10 HA PHE 2 HA PHE 2 16.838 3.982 -21.309 11 HB2 PHE 2 2HB PHE 2 16.093 1.603 -21.528 12 HB3 PHE 2 1HB PHE 2 15.566 1.960 -23.169 13 HD1 PHE 2 2HD PHE 2 18.481 1.601 -20.963 14 HD2 PHE 2 1HD PHE 2 17.131 2.148 -24.959 15 HE1 PHE 2 2HE PHE 2 20.743 1.097 -21.788 16 HE2 PHE 2 1HE PHE 2 19.394 1.649 -25.797 17 HZ PHE 2 HZ PHE 2 21.187 1.096 -24.223 18 H CYS 3 H CYS 3 14.197 4.336 -23.629 19 HA CYS 3 HA CYS 3 16.082 5.563 -25.490 20 HB2 CYS 3 2HB CYS 3 13.244 4.814 -26.093 21 HB3 CYS 3 1HB CYS 3 14.535 5.164 -27.241 22 H LEU 4 H LEU 4 13.728 6.367 -23.242 23 HA LEU 4 HA LEU 4 12.580 8.263 -22.705 24 HB2 LEU 4 2HB LEU 4 14.986 9.188 -23.772 25 HB3 LEU 4 1HB LEU 4 13.767 10.077 -24.660 26 HG LEU 4 HG LEU 4 14.586 11.321 -22.714 27 HD11 LEU 4 1HD1 LEU 4 11.701 10.473 -22.457 28 HD12 LEU 4 2HD1 LEU 4 12.325 11.764 -23.485 29 HD13 LEU 4 3HD1 LEU 4 12.427 11.906 -21.731 30 HD21 LEU 4 3HD2 LEU 4 14.095 10.608 -20.459 31 HD22 LEU 4 1HD2 LEU 4 15.097 9.406 -21.272 32 HD23 LEU 4 2HD2 LEU 4 13.370 9.117 -21.057 33 H ASN 5 H ASN 5 11.733 6.451 -24.760 34 HA ASN 5 HA ASN 5 9.581 7.783 -25.915 35 HB2 ASN 5 2HB ASN 5 11.293 8.830 -27.367 36 HB3 ASN 5 1HB ASN 5 11.790 7.224 -27.907 37 HD21 ASN 5 1HD2 ASN 5 10.189 5.914 -29.023 38 HD22 ASN 5 2HD2 ASN 5 8.959 6.697 -29.950 39 H CYS 6 H CYS 6 11.899 5.105 -26.458 40 HA CYS 6 HA CYS 6 10.077 3.698 -28.127 41 HB2 CYS 6 2HB CYS 6 11.679 1.968 -28.278 42 HB3 CYS 6 1HB CYS 6 12.615 3.451 -28.163 43 H VAL 7 H VAL 7 10.434 4.015 -24.813 44 HA VAL 7 HA VAL 7 9.078 1.496 -24.262 45 HB VAL 7 HB VAL 7 10.900 3.295 -22.686 46 HG11 VAL 7 1HG1 VAL 7 10.372 2.030 -20.627 47 HG12 VAL 7 2HG1 VAL 7 9.032 1.246 -21.463 48 HG13 VAL 7 3HG1 VAL 7 8.998 2.987 -21.187 49 HG21 VAL 7 3HG2 VAL 7 12.045 1.198 -22.189 50 HG22 VAL 7 1HG2 VAL 7 11.848 1.427 -23.927 51 HG23 VAL 7 2HG2 VAL 7 10.804 0.298 -23.061 52 H SER 8 H SER 8 9.052 4.915 -23.394 53 HA SER 8 HA SER 8 6.505 4.761 -22.105 54 HB2 SER 8 2HB SER 8 6.822 7.241 -21.878 55 HB3 SER 8 1HB SER 8 8.130 6.268 -21.206 56 HG SER 8 HG SER 8 9.389 6.740 -23.000 57 H HIS 9 H HIS 9 7.682 6.532 -24.971 58 HA HIS 9 HA HIS 9 5.076 7.558 -25.551 59 HB2 HIS 9 2HB HIS 9 7.607 7.632 -27.208 60 HB3 HIS 9 1HB HIS 9 6.127 8.503 -27.590 61 HD1 HIS 9 1HD HIS 9 8.794 9.975 -27.136 62 HD2 HIS 9 2HD HIS 9 5.902 9.365 -24.213 63 HE1 HIS 9 1HE HIS 9 9.168 11.780 -25.430 64 HE2 HIS 9 2HE HIS 9 7.429 11.380 -23.650 65 H THR 10 H THR 10 6.849 4.760 -26.536 66 HA THR 10 HA THR 10 5.099 4.301 -28.810 67 HB THR 10 HB THR 10 7.231 2.474 -27.685 68 HG1 THR 10 1HG THR 10 7.962 3.686 -29.980 69 HG21 THR 10 3HG2 THR 10 5.578 1.398 -29.171 70 HG22 THR 10 1HG2 THR 10 7.193 1.441 -29.893 71 HG23 THR 10 2HG2 THR 10 5.956 2.581 -30.421 72 H ALA 11 H ALA 11 5.964 2.795 -25.747 73 HA ALA 11 HA ALA 11 4.864 1.530 -24.250 74 HB1 ALA 11 3HB ALA 11 2.465 1.655 -24.035 75 HB2 ALA 11 1HB ALA 11 2.342 2.339 -25.656 76 HB3 ALA 11 2HB ALA 11 3.129 3.254 -24.369 77 H SER 12 H SER 12 3.549 0.983 -27.432 78 HA SER 12 HA SER 12 2.694 -1.597 -27.227 79 HB2 SER 12 2HB SER 12 4.188 -0.255 -29.473 80 HB3 SER 12 1HB SER 12 3.249 -1.719 -29.608 81 HG SER 12 HG SER 12 2.290 0.544 -30.067 82 H TYR 13 H TYR 13 5.994 -0.441 -27.712 83 HA TYR 13 HA TYR 13 7.181 -2.929 -28.257 84 HB2 TYR 13 2HB TYR 13 8.262 -0.842 -28.843 85 HB3 TYR 13 1HB TYR 13 8.345 -0.369 -27.152 86 HD1 TYR 13 2HD TYR 13 9.484 -3.104 -29.426 87 HD2 TYR 13 1HD TYR 13 10.331 -0.720 -25.994 88 HE1 TYR 13 2HE TYR 13 11.702 -4.149 -29.246 89 HE2 TYR 13 1HE TYR 13 12.552 -1.762 -25.817 90 HH TYR 13 HH TYR 13 13.721 -3.726 -26.484 91 H LEU 14 H LEU 14 6.344 -1.354 -25.256 92 HA LEU 14 HA LEU 14 7.986 -3.214 -23.721 93 HB2 LEU 14 2HB LEU 14 8.001 -0.816 -23.175 94 HB3 LEU 14 1HB LEU 14 6.286 -0.890 -22.822 95 HG LEU 14 HG LEU 14 6.779 -2.469 -20.962 96 HD11 LEU 14 1HD1 LEU 14 9.076 -2.717 -20.189 97 HD12 LEU 14 2HD1 LEU 14 9.654 -1.776 -21.564 98 HD13 LEU 14 3HD1 LEU 14 8.906 -3.353 -21.824 99 HD21 LEU 14 3HD2 LEU 14 6.482 -0.107 -20.523 100 HD22 LEU 14 1HD2 LEU 14 8.182 0.197 -20.884 101 HD23 LEU 14 2HD2 LEU 14 7.738 -0.763 -19.473 102 H ARG 15 H ARG 15 4.662 -2.659 -24.571 103 HA ARG 15 HA ARG 15 3.651 -4.268 -22.381 104 HB2 ARG 15 2HB ARG 15 2.401 -2.287 -23.106 105 HB3 ARG 15 1HB ARG 15 2.188 -3.003 -24.697 106 HG2 ARG 15 2HG ARG 15 0.873 -4.806 -23.730 107 HG3 ARG 15 1HG ARG 15 1.121 -4.128 -22.120 108 HD2 ARG 15 2HD ARG 15 -0.047 -2.094 -22.795 109 HD3 ARG 15 1HD ARG 15 -0.298 -2.767 -24.406 110 HE ARG 15 HE ARG 15 -1.325 -4.467 -22.353 111 HH11 ARG 15 1HH1 ARG 15 -2.032 -1.603 -24.250 112 HH12 ARG 15 2HH1 ARG 15 -3.758 -1.766 -24.068 113 HH21 ARG 15 1HH2 ARG 15 -3.565 -4.680 -22.109 114 HH22 ARG 15 2HH2 ARG 15 -4.633 -3.511 -22.849 115 H LEU 16 H LEU 16 3.724 -4.503 -25.935 116 HA LEU 16 HA LEU 16 2.704 -7.228 -25.750 117 HB2 LEU 16 2HB LEU 16 3.384 -5.513 -28.143 118 HB3 LEU 16 1HB LEU 16 2.736 -7.140 -28.244 119 HG LEU 16 HG LEU 16 1.335 -4.736 -27.064 120 HD11 LEU 16 1HD1 LEU 16 1.464 -4.686 -29.499 121 HD12 LEU 16 2HD1 LEU 16 -0.188 -4.978 -28.950 122 HD13 LEU 16 3HD1 LEU 16 0.787 -6.311 -29.573 123 HD21 LEU 16 3HD2 LEU 16 0.708 -6.725 -25.849 124 HD22 LEU 16 1HD2 LEU 16 0.410 -7.587 -27.359 125 HD23 LEU 16 2HD2 LEU 16 -0.617 -6.229 -26.902 126 H TRP 17 H TRP 17 5.330 -5.777 -27.635 127 HA TRP 17 HA TRP 17 7.349 -6.537 -28.301 128 HB2 TRP 17 2HB TRP 17 7.794 -6.075 -25.887 129 HB3 TRP 17 1HB TRP 17 7.494 -7.776 -25.547 130 HD1 TRP 17 HD TRP 17 9.942 -5.551 -27.552 131 HE1 TRP 17 1HE TRP 17 12.198 -6.779 -27.769 132 HE3 TRP 17 3HE TRP 17 8.661 -10.004 -25.358 133 HZ2 TRP 17 2HZ TRP 17 13.281 -9.290 -27.096 134 HZ3 TRP 17 3HZ TRP 17 10.377 -11.762 -25.189 135 HH2 TRP 17 HH TRP 17 12.635 -11.407 -26.041 136 H ALA 18 H ALA 18 6.564 -7.914 -29.906 137 HA ALA 18 HA ALA 18 7.145 -10.720 -29.360 138 HB1 ALA 18 3HB ALA 18 4.664 -9.799 -30.803 139 HB2 ALA 18 1HB ALA 18 4.714 -10.549 -29.205 140 HB3 ALA 18 2HB ALA 18 5.194 -11.469 -30.631 141 H LEU 19 H LEU 19 8.797 -11.159 -30.634 142 HA LEU 19 HA LEU 19 10.157 -11.325 -32.446 143 HB2 LEU 19 2HB LEU 19 7.698 -10.555 -34.017 144 HB3 LEU 19 1HB LEU 19 9.177 -11.212 -34.691 145 HG LEU 19 HG LEU 19 7.283 -12.656 -32.835 146 HD11 LEU 19 1HD1 LEU 19 7.908 -13.046 -35.760 147 HD12 LEU 19 2HD1 LEU 19 6.422 -12.361 -35.105 148 HD13 LEU 19 3HD1 LEU 19 6.832 -14.049 -34.789 149 HD21 LEU 19 3HD2 LEU 19 9.576 -13.347 -32.432 150 HD22 LEU 19 1HD2 LEU 19 9.835 -13.580 -34.160 151 HD23 LEU 19 2HD2 LEU 19 8.702 -14.617 -33.290 152 H SER 20 H SER 20 9.755 -8.795 -31.039 153 HA SER 20 HA SER 20 10.314 -6.834 -33.128 154 HB2 SER 20 2HB SER 20 8.548 -6.319 -31.439 155 HB3 SER 20 1HB SER 20 9.772 -6.397 -30.175 156 HG SER 20 HG SER 20 9.960 -4.348 -30.597 157 H LEU 21 H LEU 21 11.881 -5.052 -32.123 158 HA LEU 21 HA LEU 21 14.141 -6.201 -30.725 159 HB2 LEU 21 2HB LEU 21 14.560 -6.827 -33.065 160 HB3 LEU 21 1HB LEU 21 14.405 -5.149 -33.544 161 HG LEU 21 HG LEU 21 16.375 -4.608 -32.121 162 HD11 LEU 21 1HD1 LEU 21 16.235 -6.517 -30.600 163 HD12 LEU 21 2HD1 LEU 21 17.812 -6.422 -31.378 164 HD13 LEU 21 3HD1 LEU 21 16.630 -7.610 -31.928 165 HD21 LEU 21 3HD2 LEU 21 18.020 -5.534 -33.671 166 HD22 LEU 21 1HD2 LEU 21 16.600 -4.926 -34.522 167 HD23 LEU 21 2HD2 LEU 21 16.813 -6.661 -34.286 168 H ALA 22 H ALA 22 13.316 -3.422 -32.825 169 HA ALA 22 HA ALA 22 13.554 -1.693 -30.475 170 HB1 ALA 22 3HB ALA 22 15.729 -1.548 -31.582 171 HB2 ALA 22 1HB ALA 22 14.851 -0.023 -31.698 172 HB3 ALA 22 2HB ALA 22 14.935 -1.099 -33.092 173 H HIS 23 H HIS 23 12.617 -1.984 -33.868 174 HA HIS 23 HA HIS 23 10.194 -0.518 -33.241 175 HB2 HIS 23 2HB HIS 23 10.334 0.779 -35.340 176 HB3 HIS 23 1HB HIS 23 11.581 1.212 -34.183 177 HD1 HIS 23 1HD HIS 23 14.010 0.879 -34.870 178 HD2 HIS 23 2HD HIS 23 11.282 -0.574 -37.664 179 HE1 HIS 23 1HE HIS 23 15.360 0.333 -36.924 180 HE2 HIS 23 2HE HIS 23 13.720 -0.687 -38.543 181 H ALA 24 H ALA 24 8.480 -1.580 -33.944 182 HA ALA 24 HA ALA 24 8.848 -3.804 -35.775 183 HB1 ALA 24 3HB ALA 24 7.528 -4.072 -33.712 184 HB2 ALA 24 1HB ALA 24 6.602 -4.441 -35.167 185 HB3 ALA 24 2HB ALA 24 6.360 -2.905 -34.331 186 H GLN 25 H GLN 25 8.429 -0.622 -36.169 187 HA GLN 25 HA GLN 25 6.649 -0.864 -38.484 188 HB2 GLN 25 2HB GLN 25 6.015 0.753 -36.701 189 HB3 GLN 25 1HB GLN 25 7.534 1.593 -36.971 190 HG2 GLN 25 2HG GLN 25 6.833 2.041 -39.292 191 HG3 GLN 25 1HG GLN 25 5.280 1.281 -38.941 192 HE21 GLN 25 1HE2 GLN 25 5.787 3.984 -39.789 193 HE22 GLN 25 2HE2 GLN 25 5.210 5.033 -38.526 Start of MODEL 5 1 H1 GLU 1 1HT GLU 1 15.693 1.628 -22.915 2 H2 GLU 1 2HT GLU 1 15.065 3.097 -22.341 3 H3 GLU 1 3HT GLU 1 16.728 2.945 -22.649 4 HA GLU 1 HA GLU 1 14.624 2.736 -24.717 5 HB2 GLU 1 2HB GLU 1 14.708 5.003 -23.876 6 HB3 GLU 1 1HB GLU 1 16.462 5.019 -23.979 7 HG2 GLU 1 2HG GLU 1 15.446 6.282 -25.786 8 HG3 GLU 1 1HG GLU 1 16.341 4.894 -26.399 9 H PHE 2 H PHE 2 15.341 2.140 -26.675 10 HA PHE 2 HA PHE 2 18.143 1.300 -26.846 11 HB2 PHE 2 2HB PHE 2 16.360 -0.386 -27.294 12 HB3 PHE 2 1HB PHE 2 15.818 0.591 -28.656 13 HD1 PHE 2 1HD PHE 2 18.729 -1.323 -27.347 14 HD2 PHE 2 2HD PHE 2 16.801 0.370 -30.747 15 HE1 PHE 2 1HE PHE 2 20.311 -2.487 -28.826 16 HE2 PHE 2 2HE PHE 2 18.379 -0.794 -32.230 17 HZ PHE 2 HZ PHE 2 20.212 -2.194 -31.215 18 H CYS 3 H CYS 3 15.763 3.419 -28.265 19 HA CYS 3 HA CYS 3 17.799 4.376 -30.143 20 HB2 CYS 3 2HB CYS 3 14.856 4.852 -30.429 21 HB3 CYS 3 1HB CYS 3 16.103 5.050 -31.655 22 H LEU 4 H LEU 4 14.827 5.906 -29.233 23 HA LEU 4 HA LEU 4 15.642 7.745 -27.331 24 HB2 LEU 4 2HB LEU 4 17.149 8.501 -29.237 25 HB3 LEU 4 1HB LEU 4 15.699 8.927 -30.123 26 HG LEU 4 HG LEU 4 15.135 10.575 -28.344 27 HD11 LEU 4 1HD1 LEU 4 16.297 9.545 -26.478 28 HD12 LEU 4 2HD1 LEU 4 16.879 11.191 -26.730 29 HD13 LEU 4 3HD1 LEU 4 17.849 9.822 -27.270 30 HD21 LEU 4 3HD2 LEU 4 17.870 10.917 -29.577 31 HD22 LEU 4 1HD2 LEU 4 16.841 12.209 -28.958 32 HD23 LEU 4 2HD2 LEU 4 16.332 11.272 -30.362 33 H ASN 5 H ASN 5 13.467 6.064 -28.239 34 HA ASN 5 HA ASN 5 11.130 7.460 -28.057 35 HB2 ASN 5 2HB ASN 5 11.775 8.762 -30.014 36 HB3 ASN 5 1HB ASN 5 12.061 7.280 -30.933 37 HD21 ASN 5 1HD2 ASN 5 10.237 5.958 -31.485 38 HD22 ASN 5 2HD2 ASN 5 8.660 6.684 -31.624 39 H CYS 6 H CYS 6 12.781 5.009 -30.004 40 HA CYS 6 HA CYS 6 10.487 3.582 -30.771 41 HB2 CYS 6 2HB CYS 6 11.970 1.874 -31.568 42 HB3 CYS 6 1HB CYS 6 12.740 3.428 -31.878 43 H VAL 7 H VAL 7 12.241 3.619 -27.833 44 HA VAL 7 HA VAL 7 10.837 1.189 -26.996 45 HB VAL 7 HB VAL 7 13.469 2.362 -26.137 46 HG11 VAL 7 1HG1 VAL 7 13.554 0.752 -24.302 47 HG12 VAL 7 2HG1 VAL 7 11.933 0.178 -24.696 48 HG13 VAL 7 3HG1 VAL 7 12.165 1.819 -24.094 49 HG21 VAL 7 3HG2 VAL 7 14.249 0.082 -26.626 50 HG22 VAL 7 1HG2 VAL 7 13.443 0.806 -28.018 51 HG23 VAL 7 2HG2 VAL 7 12.602 -0.393 -27.039 52 H SER 8 H SER 8 11.846 4.394 -25.813 53 HA SER 8 HA SER 8 10.231 4.113 -23.465 54 HB2 SER 8 2HB SER 8 11.721 6.504 -24.539 55 HB3 SER 8 1HB SER 8 10.970 6.409 -22.944 56 HG SER 8 HG SER 8 12.389 4.351 -22.868 57 H HIS 9 H HIS 9 9.693 5.445 -26.622 58 HA HIS 9 HA HIS 9 7.338 6.906 -25.595 59 HB2 HIS 9 2HB HIS 9 8.996 7.338 -28.083 60 HB3 HIS 9 1HB HIS 9 7.439 8.121 -27.825 61 HD1 HIS 9 1HD HIS 9 7.439 10.234 -26.534 62 HD2 HIS 9 2HD HIS 9 11.003 8.128 -26.111 63 HE1 HIS 9 1HE HIS 9 8.984 11.759 -25.256 64 HE2 HIS 9 2HE HIS 9 11.122 10.446 -24.961 65 H THR 10 H THR 10 7.790 3.979 -26.577 66 HA THR 10 HA THR 10 5.861 3.986 -28.762 67 HB THR 10 HB THR 10 7.763 2.589 -29.193 68 HG1 THR 10 1HG THR 10 5.435 1.795 -29.564 69 HG21 THR 10 3HG2 THR 10 7.074 1.119 -26.656 70 HG22 THR 10 1HG2 THR 10 8.475 2.165 -26.896 71 HG23 THR 10 2HG2 THR 10 8.329 0.662 -27.804 72 H ALA 11 H ALA 11 6.291 2.631 -25.523 73 HA ALA 11 HA ALA 11 4.868 1.753 -23.991 74 HB1 ALA 11 3HB ALA 11 2.634 2.959 -25.618 75 HB2 ALA 11 1HB ALA 11 3.544 3.798 -24.363 76 HB3 ALA 11 2HB ALA 11 2.549 2.405 -23.945 77 H SER 12 H SER 12 3.600 1.338 -27.275 78 HA SER 12 HA SER 12 2.156 -1.016 -26.897 79 HB2 SER 12 2HB SER 12 2.138 0.459 -28.934 80 HB3 SER 12 1HB SER 12 3.702 -0.216 -29.377 81 HG SER 12 HG SER 12 2.612 -1.735 -30.302 82 H TYR 13 H TYR 13 5.478 -0.611 -28.105 83 HA TYR 13 HA TYR 13 6.113 -3.324 -28.311 84 HB2 TYR 13 2HB TYR 13 7.436 -1.582 -29.384 85 HB3 TYR 13 1HB TYR 13 7.916 -0.946 -27.815 86 HD1 TYR 13 2HD TYR 13 8.177 -3.978 -29.971 87 HD2 TYR 13 1HD TYR 13 9.861 -1.729 -26.768 88 HE1 TYR 13 2HE TYR 13 10.150 -5.446 -29.983 89 HE2 TYR 13 1HE TYR 13 11.834 -3.193 -26.775 90 HH TYR 13 HH TYR 13 12.493 -5.388 -29.292 91 H LEU 14 H LEU 14 6.219 -1.158 -25.564 92 HA LEU 14 HA LEU 14 7.746 -2.815 -23.840 93 HB2 LEU 14 2HB LEU 14 5.714 -0.685 -23.158 94 HB3 LEU 14 1HB LEU 14 6.872 -1.383 -22.040 95 HG LEU 14 HG LEU 14 7.570 0.253 -24.479 96 HD11 LEU 14 1HD1 LEU 14 6.518 1.578 -22.718 97 HD12 LEU 14 2HD1 LEU 14 8.231 1.964 -22.874 98 HD13 LEU 14 3HD1 LEU 14 7.673 0.944 -21.547 99 HD21 LEU 14 3HD2 LEU 14 9.309 -0.854 -22.274 100 HD22 LEU 14 1HD2 LEU 14 9.846 0.210 -23.574 101 HD23 LEU 14 2HD2 LEU 14 9.271 -1.418 -23.946 102 H ARG 15 H ARG 15 4.276 -2.419 -24.412 103 HA ARG 15 HA ARG 15 3.398 -4.301 -22.491 104 HB2 ARG 15 2HB ARG 15 2.113 -3.388 -25.074 105 HB3 ARG 15 1HB ARG 15 1.311 -4.407 -23.888 106 HG2 ARG 15 2HG ARG 15 1.481 -2.611 -22.237 107 HG3 ARG 15 1HG ARG 15 2.288 -1.591 -23.430 108 HD2 ARG 15 2HD ARG 15 0.326 -1.658 -24.856 109 HD3 ARG 15 1HD ARG 15 -0.482 -2.746 -23.730 110 HE ARG 15 HE ARG 15 -0.118 -0.705 -22.120 111 HH11 ARG 15 1HH1 ARG 15 -0.922 -0.621 -25.527 112 HH12 ARG 15 2HH1 ARG 15 -1.867 0.842 -25.408 113 HH21 ARG 15 1HH2 ARG 15 -1.430 1.172 -21.929 114 HH22 ARG 15 2HH2 ARG 15 -2.176 1.850 -23.355 115 H LEU 16 H LEU 16 4.252 -4.583 -25.920 116 HA LEU 16 HA LEU 16 3.500 -7.280 -26.226 117 HB2 LEU 16 2HB LEU 16 5.610 -5.720 -27.724 118 HB3 LEU 16 1HB LEU 16 4.917 -7.247 -28.238 119 HG LEU 16 HG LEU 16 3.406 -4.645 -27.950 120 HD11 LEU 16 1HD1 LEU 16 3.247 -4.719 -30.386 121 HD12 LEU 16 2HD1 LEU 16 4.257 -6.161 -30.415 122 HD13 LEU 16 3HD1 LEU 16 4.926 -4.628 -29.858 123 HD21 LEU 16 3HD2 LEU 16 1.562 -5.853 -29.010 124 HD22 LEU 16 1HD2 LEU 16 2.005 -6.569 -27.459 125 HD23 LEU 16 2HD2 LEU 16 2.515 -7.338 -28.961 126 H TRP 17 H TRP 17 6.453 -5.744 -25.143 127 HA TRP 17 HA TRP 17 8.203 -7.928 -25.217 128 HB2 TRP 17 2HB TRP 17 8.811 -5.517 -24.854 129 HB3 TRP 17 1HB TRP 17 8.230 -5.666 -23.202 130 HD1 TRP 17 HD TRP 17 11.092 -6.773 -25.483 131 HE1 TRP 17 1HE TRP 17 13.050 -7.624 -24.036 132 HE3 TRP 17 3HE TRP 17 8.806 -6.676 -20.913 133 HZ2 TRP 17 2HZ TRP 17 13.541 -8.189 -21.320 134 HZ3 TRP 17 3HZ TRP 17 10.095 -7.393 -18.941 135 HH2 TRP 17 HH TRP 17 12.414 -8.131 -19.145 136 H ALA 18 H ALA 18 5.587 -7.246 -23.122 137 HA ALA 18 HA ALA 18 6.556 -8.712 -20.850 138 HB1 ALA 18 3HB ALA 18 5.009 -6.824 -20.608 139 HB2 ALA 18 1HB ALA 18 4.352 -8.302 -19.905 140 HB3 ALA 18 2HB ALA 18 3.774 -7.735 -21.473 141 H LEU 19 H LEU 19 4.573 -9.290 -23.642 142 HA LEU 19 HA LEU 19 4.001 -12.021 -22.784 143 HB2 LEU 19 2HB LEU 19 3.179 -10.511 -25.277 144 HB3 LEU 19 1HB LEU 19 2.681 -12.146 -24.881 145 HG LEU 19 HG LEU 19 1.994 -9.679 -23.278 146 HD11 LEU 19 1HD1 LEU 19 -0.298 -10.083 -24.049 147 HD12 LEU 19 2HD1 LEU 19 0.292 -11.365 -25.108 148 HD13 LEU 19 3HD1 LEU 19 0.795 -9.695 -25.377 149 HD21 LEU 19 3HD2 LEU 19 1.110 -12.542 -22.965 150 HD22 LEU 19 1HD2 LEU 19 0.507 -11.167 -22.040 151 HD23 LEU 19 2HD2 LEU 19 2.192 -11.663 -21.882 152 H SER 20 H SER 20 6.592 -10.560 -23.843 153 HA SER 20 HA SER 20 7.288 -12.386 -25.995 154 HB2 SER 20 2HB SER 20 8.754 -10.010 -24.831 155 HB3 SER 20 1HB SER 20 9.343 -10.990 -26.167 156 HG SER 20 HG SER 20 6.852 -9.633 -26.175 157 H LEU 21 H LEU 21 7.167 -12.678 -22.830 158 HA LEU 21 HA LEU 21 8.071 -14.058 -21.280 159 HB2 LEU 21 2HB LEU 21 9.769 -15.118 -23.541 160 HB3 LEU 21 1HB LEU 21 9.601 -15.850 -21.959 161 HG LEU 21 HG LEU 21 7.391 -15.538 -23.992 162 HD11 LEU 21 1HD1 LEU 21 7.534 -17.958 -24.207 163 HD12 LEU 21 2HD1 LEU 21 8.885 -17.991 -23.075 164 HD13 LEU 21 3HD1 LEU 21 9.064 -17.198 -24.639 165 HD21 LEU 21 3HD2 LEU 21 7.403 -16.909 -21.304 166 HD22 LEU 21 1HD2 LEU 21 6.086 -16.946 -22.476 167 HD23 LEU 21 2HD2 LEU 21 6.544 -15.423 -21.712 168 H ALA 22 H ALA 22 10.362 -14.744 -20.351 169 HA ALA 22 HA ALA 22 12.234 -12.511 -20.704 170 HB1 ALA 22 3HB ALA 22 11.211 -13.413 -18.013 171 HB2 ALA 22 1HB ALA 22 10.725 -11.937 -18.846 172 HB3 ALA 22 2HB ALA 22 12.395 -12.138 -18.314 173 H HIS 23 H HIS 23 11.627 -15.700 -19.294 174 HA HIS 23 HA HIS 23 14.482 -16.272 -19.608 175 HB2 HIS 23 2HB HIS 23 14.430 -17.695 -17.645 176 HB3 HIS 23 1HB HIS 23 13.904 -16.072 -17.222 177 HD1 HIS 23 1HD HIS 23 11.844 -15.974 -15.835 178 HD2 HIS 23 2HD HIS 23 12.071 -19.514 -18.021 179 HE1 HIS 23 1HE HIS 23 9.904 -17.383 -15.064 180 HE2 HIS 23 2HE HIS 23 10.149 -19.582 -16.290 181 H ALA 24 H ALA 24 14.695 -18.868 -19.323 182 HA ALA 24 HA ALA 24 14.379 -20.917 -20.239 183 HB1 ALA 24 3HB ALA 24 12.128 -20.818 -19.247 184 HB2 ALA 24 1HB ALA 24 12.145 -21.702 -20.772 185 HB3 ALA 24 2HB ALA 24 11.526 -20.052 -20.718 186 H GLN 25 H GLN 25 15.283 -18.662 -21.792 187 HA GLN 25 HA GLN 25 14.303 -19.218 -24.481 188 HB2 GLN 25 2HB GLN 25 14.551 -16.867 -23.834 189 HB3 GLN 25 1HB GLN 25 16.245 -17.141 -23.452 190 HG2 GLN 25 2HG GLN 25 16.721 -17.612 -25.784 191 HG3 GLN 25 1HG GLN 25 15.016 -17.417 -26.186 192 HE21 GLN 25 1HE2 GLN 25 14.622 -15.174 -24.414 193 HE22 GLN 25 2HE2 GLN 25 15.404 -13.807 -25.141 Start of MODEL 6 1 H1 GLU 1 1HT GLU 1 14.722 3.288 -19.239 2 H2 GLU 1 2HT GLU 1 13.309 4.147 -18.852 3 H3 GLU 1 3HT GLU 1 14.829 4.840 -18.563 4 HA GLU 1 HA GLU 1 13.754 4.134 -21.225 5 HB2 GLU 1 2HB GLU 1 13.377 6.493 -19.572 6 HB3 GLU 1 1HB GLU 1 14.129 6.890 -21.115 7 HG2 GLU 1 2HG GLU 1 11.608 5.281 -20.813 8 HG3 GLU 1 1HG GLU 1 11.666 7.013 -21.147 9 H PHE 2 H PHE 2 15.180 4.009 -22.756 10 HA PHE 2 HA PHE 2 17.863 5.107 -22.294 11 HB2 PHE 2 2HB PHE 2 17.668 2.623 -22.625 12 HB3 PHE 2 1HB PHE 2 17.058 2.939 -24.244 13 HD1 PHE 2 2HD PHE 2 19.979 3.611 -22.043 14 HD2 PHE 2 1HD PHE 2 18.527 3.140 -26.014 15 HE1 PHE 2 2HE PHE 2 22.285 3.700 -22.896 16 HE2 PHE 2 1HE PHE 2 20.826 3.223 -26.875 17 HZ PHE 2 HZ PHE 2 22.717 3.511 -25.290 18 H CYS 3 H CYS 3 15.013 5.226 -24.254 19 HA CYS 3 HA CYS 3 16.450 6.790 -26.267 20 HB2 CYS 3 2HB CYS 3 15.137 4.724 -26.940 21 HB3 CYS 3 1HB CYS 3 13.689 5.646 -26.556 22 H LEU 4 H LEU 4 14.502 7.090 -23.616 23 HA LEU 4 HA LEU 4 13.406 8.806 -22.632 24 HB2 LEU 4 2HB LEU 4 14.877 10.323 -24.776 25 HB3 LEU 4 1HB LEU 4 13.762 11.135 -23.698 26 HG LEU 4 HG LEU 4 15.951 11.483 -22.853 27 HD11 LEU 4 1HD1 LEU 4 14.597 9.337 -21.236 28 HD12 LEU 4 2HD1 LEU 4 14.299 11.073 -21.143 29 HD13 LEU 4 3HD1 LEU 4 15.859 10.420 -20.646 30 HD21 LEU 4 3HD2 LEU 4 17.150 9.726 -23.995 31 HD22 LEU 4 1HD2 LEU 4 16.352 8.501 -23.005 32 HD23 LEU 4 2HD2 LEU 4 17.470 9.644 -22.263 33 H ASN 5 H ASN 5 12.106 7.176 -24.568 34 HA ASN 5 HA ASN 5 9.690 8.327 -25.036 35 HB2 ASN 5 2HB ASN 5 10.697 10.003 -26.476 36 HB3 ASN 5 1HB ASN 5 11.516 8.746 -27.409 37 HD21 ASN 5 1HD2 ASN 5 10.256 7.339 -28.708 38 HD22 ASN 5 2HD2 ASN 5 8.697 7.823 -29.280 39 H CYS 6 H CYS 6 12.170 6.388 -26.627 40 HA CYS 6 HA CYS 6 10.269 4.913 -28.158 41 HB2 CYS 6 2HB CYS 6 13.173 4.237 -27.742 42 HB3 CYS 6 1HB CYS 6 12.139 3.767 -29.090 43 H VAL 7 H VAL 7 11.001 4.744 -24.996 44 HA VAL 7 HA VAL 7 10.416 1.880 -24.927 45 HB VAL 7 HB VAL 7 12.209 3.527 -23.159 46 HG11 VAL 7 1HG1 VAL 7 11.113 0.766 -22.549 47 HG12 VAL 7 2HG1 VAL 7 10.765 2.243 -21.651 48 HG13 VAL 7 3HG1 VAL 7 12.398 1.579 -21.657 49 HG21 VAL 7 3HG2 VAL 7 13.172 2.485 -25.143 50 HG22 VAL 7 1HG2 VAL 7 12.584 0.912 -24.609 51 HG23 VAL 7 2HG2 VAL 7 13.810 1.760 -23.667 52 H SER 8 H SER 8 10.053 4.931 -23.183 53 HA SER 8 HA SER 8 7.949 3.855 -21.553 54 HB2 SER 8 2HB SER 8 9.634 5.538 -20.752 55 HB3 SER 8 1HB SER 8 8.835 6.732 -21.772 56 HG SER 8 HG SER 8 6.964 6.503 -20.550 57 H HIS 9 H HIS 9 8.201 6.126 -24.257 58 HA HIS 9 HA HIS 9 5.349 6.721 -24.106 59 HB2 HIS 9 2HB HIS 9 7.530 7.806 -25.898 60 HB3 HIS 9 1HB HIS 9 5.850 8.322 -25.966 61 HD1 HIS 9 1HD HIS 9 8.258 10.218 -25.353 62 HD2 HIS 9 2HD HIS 9 5.754 8.516 -22.504 63 HE1 HIS 9 1HE HIS 9 8.451 11.687 -23.321 64 HE2 HIS 9 2HE HIS 9 6.971 10.616 -21.586 65 H THR 10 H THR 10 6.755 4.116 -25.220 66 HA THR 10 HA THR 10 5.786 4.197 -27.960 67 HB THR 10 HB THR 10 7.925 3.133 -27.669 68 HG1 THR 10 1HG THR 10 6.856 2.069 -29.260 69 HG21 THR 10 3HG2 THR 10 7.763 2.472 -25.346 70 HG22 THR 10 1HG2 THR 10 8.189 1.078 -26.340 71 HG23 THR 10 2HG2 THR 10 6.538 1.267 -25.745 72 H ALA 11 H ALA 11 5.165 2.439 -24.960 73 HA ALA 11 HA ALA 11 3.452 1.150 -24.218 74 HB1 ALA 11 3HB ALA 11 2.158 3.185 -24.617 75 HB2 ALA 11 1HB ALA 11 1.196 1.733 -24.897 76 HB3 ALA 11 2HB ALA 11 1.827 2.648 -26.264 77 H SER 12 H SER 12 4.792 0.640 -27.113 78 HA SER 12 HA SER 12 3.055 -1.640 -27.769 79 HB2 SER 12 2HB SER 12 3.019 0.331 -29.392 80 HB3 SER 12 1HB SER 12 4.694 -0.063 -29.759 81 HG SER 12 HG SER 12 4.085 -1.889 -30.727 82 H TYR 13 H TYR 13 6.331 -0.297 -28.008 83 HA TYR 13 HA TYR 13 7.543 -2.814 -28.612 84 HB2 TYR 13 2HB TYR 13 8.512 -0.658 -29.331 85 HB3 TYR 13 1HB TYR 13 8.788 -0.227 -27.651 86 HD1 TYR 13 2HD TYR 13 9.808 -2.536 -30.360 87 HD2 TYR 13 1HD TYR 13 10.732 -1.004 -26.495 88 HE1 TYR 13 2HE TYR 13 12.026 -3.594 -30.473 89 HE2 TYR 13 1HE TYR 13 12.953 -2.056 -26.603 90 HH TYR 13 HH TYR 13 14.307 -3.217 -29.438 91 H LEU 14 H LEU 14 6.642 -1.149 -25.721 92 HA LEU 14 HA LEU 14 8.353 -2.885 -24.096 93 HB2 LEU 14 2HB LEU 14 8.419 -0.440 -23.695 94 HB3 LEU 14 1HB LEU 14 6.722 -0.486 -23.254 95 HG LEU 14 HG LEU 14 7.294 -1.989 -21.365 96 HD11 LEU 14 1HD1 LEU 14 10.133 -1.401 -22.187 97 HD12 LEU 14 2HD1 LEU 14 9.330 -2.971 -22.243 98 HD13 LEU 14 3HD1 LEU 14 9.644 -2.193 -20.692 99 HD21 LEU 14 3HD2 LEU 14 8.793 0.625 -21.386 100 HD22 LEU 14 1HD2 LEU 14 8.273 -0.268 -19.959 101 HD23 LEU 14 2HD2 LEU 14 7.073 0.435 -21.044 102 H ARG 15 H ARG 15 5.146 -2.666 -25.177 103 HA ARG 15 HA ARG 15 4.235 -4.430 -23.012 104 HB2 ARG 15 2HB ARG 15 2.767 -2.053 -24.153 105 HB3 ARG 15 1HB ARG 15 1.965 -3.316 -23.228 106 HG2 ARG 15 2HG ARG 15 3.397 -2.812 -21.302 107 HG3 ARG 15 1HG ARG 15 4.192 -1.541 -22.231 108 HD2 ARG 15 2HD ARG 15 2.476 -0.657 -20.708 109 HD3 ARG 15 1HD ARG 15 2.114 -0.312 -22.398 110 HE ARG 15 HE ARG 15 0.860 -2.631 -21.091 111 HH11 ARG 15 1HH1 ARG 15 0.603 0.556 -22.547 112 HH12 ARG 15 2HH1 ARG 15 -1.127 0.470 -22.750 113 HH21 ARG 15 1HH2 ARG 15 -1.423 -2.723 -21.309 114 HH22 ARG 15 2HH2 ARG 15 -2.276 -1.378 -22.028 115 H LEU 16 H LEU 16 3.447 -6.250 -23.688 116 HA LEU 16 HA LEU 16 2.316 -7.818 -24.860 117 HB2 LEU 16 2HB LEU 16 0.643 -6.013 -25.314 118 HB3 LEU 16 1HB LEU 16 1.503 -5.659 -26.800 119 HG LEU 16 HG LEU 16 1.008 -7.913 -27.628 120 HD11 LEU 16 1HD1 LEU 16 -0.531 -9.364 -26.414 121 HD12 LEU 16 2HD1 LEU 16 -0.534 -8.228 -25.065 122 HD13 LEU 16 3HD1 LEU 16 0.950 -9.074 -25.500 123 HD21 LEU 16 3HD2 LEU 16 -1.403 -7.632 -27.956 124 HD22 LEU 16 1HD2 LEU 16 -0.541 -6.102 -28.150 125 HD23 LEU 16 2HD2 LEU 16 -1.437 -6.430 -26.667 126 H TRP 17 H TRP 17 3.574 -5.567 -27.354 127 HA TRP 17 HA TRP 17 5.117 -5.837 -29.014 128 HB2 TRP 17 2HB TRP 17 6.490 -6.503 -27.011 129 HB3 TRP 17 1HB TRP 17 6.100 -8.174 -27.362 130 HD1 TRP 17 HD TRP 17 7.987 -5.196 -28.972 131 HE1 TRP 17 1HE TRP 17 9.885 -6.158 -30.440 132 HE3 TRP 17 3HE TRP 17 6.948 -10.179 -28.481 133 HZ2 TRP 17 2HZ TRP 17 10.795 -8.692 -31.278 134 HZ3 TRP 17 3HZ TRP 17 8.382 -11.806 -29.646 135 HH2 TRP 17 HH TRP 17 10.265 -11.078 -31.014 136 H ALA 18 H ALA 18 2.539 -7.437 -28.919 137 HA ALA 18 HA ALA 18 3.201 -9.881 -30.343 138 HB1 ALA 18 3HB ALA 18 0.541 -8.760 -29.480 139 HB2 ALA 18 1HB ALA 18 1.493 -9.966 -28.616 140 HB3 ALA 18 2HB ALA 18 0.801 -10.351 -30.195 141 H LEU 19 H LEU 19 1.222 -6.963 -30.917 142 HA LEU 19 HA LEU 19 1.233 -7.631 -33.790 143 HB2 LEU 19 2HB LEU 19 -0.962 -7.299 -32.621 144 HB3 LEU 19 1HB LEU 19 -0.513 -5.627 -32.357 145 HG LEU 19 HG LEU 19 -0.416 -5.301 -34.820 146 HD11 LEU 19 1HD1 LEU 19 0.061 -7.573 -35.505 147 HD12 LEU 19 2HD1 LEU 19 -1.425 -7.010 -36.267 148 HD13 LEU 19 3HD1 LEU 19 -1.503 -8.113 -34.893 149 HD21 LEU 19 3HD2 LEU 19 -2.435 -4.692 -33.616 150 HD22 LEU 19 1HD2 LEU 19 -3.029 -6.350 -33.731 151 HD23 LEU 19 2HD2 LEU 19 -2.853 -5.374 -35.189 152 H SER 20 H SER 20 3.075 -6.049 -31.760 153 HA SER 20 HA SER 20 3.303 -3.462 -32.966 154 HB2 SER 20 2HB SER 20 3.887 -3.937 -30.582 155 HB3 SER 20 1HB SER 20 5.238 -4.926 -31.141 156 HG SER 20 HG SER 20 6.288 -3.155 -31.798 157 H LEU 21 H LEU 21 4.367 -2.993 -34.797 158 HA LEU 21 HA LEU 21 5.822 -5.053 -36.185 159 HB2 LEU 21 2HB LEU 21 5.533 -2.111 -36.837 160 HB3 LEU 21 1HB LEU 21 6.231 -3.319 -37.895 161 HG LEU 21 HG LEU 21 3.364 -3.294 -36.962 162 HD11 LEU 21 1HD1 LEU 21 3.819 -1.446 -38.471 163 HD12 LEU 21 2HD1 LEU 21 2.852 -2.679 -39.280 164 HD13 LEU 21 3HD1 LEU 21 4.578 -2.549 -39.619 165 HD21 LEU 21 3HD2 LEU 21 3.045 -5.058 -38.613 166 HD22 LEU 21 1HD2 LEU 21 4.228 -5.543 -37.398 167 HD23 LEU 21 2HD2 LEU 21 4.766 -5.027 -38.997 168 H ALA 22 H ALA 22 7.675 -5.635 -35.224 169 HA ALA 22 HA ALA 22 9.466 -3.578 -34.195 170 HB1 ALA 22 3HB ALA 22 10.732 -5.470 -33.262 171 HB2 ALA 22 1HB ALA 22 9.612 -6.588 -34.043 172 HB3 ALA 22 2HB ALA 22 9.037 -5.503 -32.779 173 H HIS 23 H HIS 23 9.374 -6.196 -36.556 174 HA HIS 23 HA HIS 23 11.909 -5.315 -37.637 175 HB2 HIS 23 2HB HIS 23 11.952 -7.279 -38.951 176 HB3 HIS 23 1HB HIS 23 11.339 -7.762 -37.380 177 HD1 HIS 23 1HD HIS 23 10.740 -8.229 -40.859 178 HD2 HIS 23 2HD HIS 23 8.314 -7.905 -37.483 179 HE1 HIS 23 1HE HIS 23 8.533 -9.260 -41.493 180 HE2 HIS 23 2HE HIS 23 7.061 -9.025 -39.456 181 H ALA 24 H ALA 24 12.096 -3.954 -39.269 182 HA ALA 24 HA ALA 24 9.741 -3.166 -40.799 183 HB1 ALA 24 3HB ALA 24 11.093 -1.351 -41.627 184 HB2 ALA 24 1HB ALA 24 12.553 -2.086 -40.963 185 HB3 ALA 24 2HB ALA 24 11.309 -1.464 -39.879 186 H GLN 25 H GLN 25 12.203 -5.389 -40.983 187 HA GLN 25 HA GLN 25 11.971 -5.641 -43.901 188 HB2 GLN 25 2HB GLN 25 14.216 -4.984 -43.169 189 HB3 GLN 25 1HB GLN 25 14.262 -6.346 -42.061 190 HG2 GLN 25 2HG GLN 25 14.230 -7.886 -43.944 191 HG3 GLN 25 1HG GLN 25 14.141 -6.528 -45.066 192 HE21 GLN 25 1HE2 GLN 25 15.951 -4.933 -43.317 193 HE22 GLN 25 2HE2 GLN 25 17.544 -5.565 -43.617 Start of MODEL 7 1 H1 GLU 1 1HT GLU 1 11.469 3.773 -18.168 2 H2 GLU 1 2HT GLU 1 9.892 4.326 -18.480 3 H3 GLU 1 3HT GLU 1 11.168 5.434 -18.295 4 HA GLU 1 HA GLU 1 11.151 3.395 -20.428 5 HB2 GLU 1 2HB GLU 1 10.477 5.313 -21.933 6 HB3 GLU 1 1HB GLU 1 9.221 4.597 -20.939 7 HG2 GLU 1 2HG GLU 1 9.548 6.458 -19.325 8 HG3 GLU 1 1HG GLU 1 10.623 7.207 -20.511 9 H PHE 2 H PHE 2 13.066 3.189 -21.226 10 HA PHE 2 HA PHE 2 15.314 4.446 -20.278 11 HB2 PHE 2 2HB PHE 2 15.190 2.276 -21.559 12 HB3 PHE 2 1HB PHE 2 15.086 3.230 -23.033 13 HD1 PHE 2 2HD PHE 2 17.256 2.271 -20.233 14 HD2 PHE 2 1HD PHE 2 17.000 4.294 -23.960 15 HE1 PHE 2 2HE PHE 2 19.712 2.358 -20.345 16 HE2 PHE 2 1HE PHE 2 19.452 4.383 -24.085 17 HZ PHE 2 HZ PHE 2 20.816 3.419 -22.275 18 H CYS 3 H CYS 3 13.684 5.129 -23.388 19 HA CYS 3 HA CYS 3 15.451 7.411 -23.726 20 HB2 CYS 3 2HB CYS 3 13.383 6.688 -25.751 21 HB3 CYS 3 1HB CYS 3 14.984 7.369 -25.996 22 H LEU 4 H LEU 4 12.965 7.143 -21.910 23 HA LEU 4 HA LEU 4 11.162 8.355 -21.236 24 HB2 LEU 4 2HB LEU 4 12.646 10.546 -22.685 25 HB3 LEU 4 1HB LEU 4 11.273 10.805 -21.627 26 HG LEU 4 HG LEU 4 13.933 9.656 -20.788 27 HD11 LEU 4 1HD1 LEU 4 14.173 11.746 -19.531 28 HD12 LEU 4 2HD1 LEU 4 12.677 12.343 -20.253 29 HD13 LEU 4 3HD1 LEU 4 14.084 12.032 -21.271 30 HD21 LEU 4 3HD2 LEU 4 11.489 10.360 -19.164 31 HD22 LEU 4 1HD2 LEU 4 13.042 9.832 -18.514 32 HD23 LEU 4 2HD2 LEU 4 12.076 8.729 -19.497 33 H ASN 5 H ASN 5 10.826 6.886 -23.626 34 HA ASN 5 HA ASN 5 8.448 7.798 -24.652 35 HB2 ASN 5 2HB ASN 5 9.733 9.662 -25.644 36 HB3 ASN 5 1HB ASN 5 10.739 8.497 -26.506 37 HD21 ASN 5 1HD2 ASN 5 9.670 7.100 -28.061 38 HD22 ASN 5 2HD2 ASN 5 8.245 7.646 -28.873 39 H CYS 6 H CYS 6 11.482 6.382 -25.827 40 HA CYS 6 HA CYS 6 10.336 4.772 -27.818 41 HB2 CYS 6 2HB CYS 6 12.473 3.767 -28.057 42 HB3 CYS 6 1HB CYS 6 12.796 5.422 -27.551 43 H VAL 7 H VAL 7 10.382 4.452 -24.482 44 HA VAL 7 HA VAL 7 9.934 1.588 -24.659 45 HB VAL 7 HB VAL 7 10.895 3.329 -22.389 46 HG11 VAL 7 1HG1 VAL 7 10.011 0.436 -22.173 47 HG12 VAL 7 2HG1 VAL 7 9.147 1.810 -21.491 48 HG13 VAL 7 3HG1 VAL 7 10.754 1.397 -20.898 49 HG21 VAL 7 3HG2 VAL 7 12.732 1.672 -22.369 50 HG22 VAL 7 1HG2 VAL 7 12.572 2.489 -23.925 51 HG23 VAL 7 2HG2 VAL 7 11.974 0.842 -23.730 52 H SER 8 H SER 8 8.629 4.424 -22.835 53 HA SER 8 HA SER 8 6.299 2.780 -22.328 54 HB2 SER 8 2HB SER 8 7.350 3.919 -20.419 55 HB3 SER 8 1HB SER 8 6.954 5.475 -21.153 56 HG SER 8 HG SER 8 4.698 4.221 -21.136 57 H HIS 9 H HIS 9 7.065 5.894 -23.800 58 HA HIS 9 HA HIS 9 4.368 6.554 -24.402 59 HB2 HIS 9 2HB HIS 9 7.031 7.575 -25.348 60 HB3 HIS 9 1HB HIS 9 5.541 8.125 -26.111 61 HD1 HIS 9 1HD HIS 9 7.223 8.096 -22.690 62 HD2 HIS 9 2HD HIS 9 4.209 10.084 -24.764 63 HE1 HIS 9 1HE HIS 9 6.485 9.973 -21.196 64 HE2 HIS 9 2HE HIS 9 4.496 10.992 -22.352 65 H THR 10 H THR 10 6.651 4.464 -25.942 66 HA THR 10 HA THR 10 5.239 4.430 -28.456 67 HB THR 10 HB THR 10 7.382 2.552 -27.436 68 HG1 THR 10 1HG THR 10 7.485 5.050 -28.800 69 HG21 THR 10 3HG2 THR 10 7.743 2.048 -29.803 70 HG22 THR 10 1HG2 THR 10 6.418 3.125 -30.238 71 HG23 THR 10 2HG2 THR 10 6.095 1.659 -29.315 72 H ALA 11 H ALA 11 5.221 2.790 -25.445 73 HA ALA 11 HA ALA 11 3.722 1.430 -24.447 74 HB1 ALA 11 3HB ALA 11 2.114 1.732 -26.971 75 HB2 ALA 11 1HB ALA 11 2.015 2.765 -25.544 76 HB3 ALA 11 2HB ALA 11 1.531 1.069 -25.443 77 H SER 12 H SER 12 3.597 0.432 -27.848 78 HA SER 12 HA SER 12 3.280 -2.311 -27.407 79 HB2 SER 12 2HB SER 12 3.188 -0.782 -29.567 80 HB3 SER 12 1HB SER 12 4.850 -1.320 -29.733 81 HG SER 12 HG SER 12 2.869 -2.619 -30.627 82 H TYR 13 H TYR 13 6.066 -0.301 -27.649 83 HA TYR 13 HA TYR 13 7.981 -2.339 -28.031 84 HB2 TYR 13 2HB TYR 13 7.939 0.268 -28.499 85 HB3 TYR 13 1HB TYR 13 8.696 0.325 -26.924 86 HD1 TYR 13 1HD TYR 13 10.858 -1.141 -26.631 87 HD2 TYR 13 2HD TYR 13 9.187 -0.075 -30.398 88 HE1 TYR 13 1HE TYR 13 13.021 -1.587 -27.721 89 HE2 TYR 13 2HE TYR 13 11.341 -0.523 -31.491 90 HH TYR 13 HH TYR 13 13.769 -2.250 -30.149 91 H LEU 14 H LEU 14 6.276 -1.358 -25.257 92 HA LEU 14 HA LEU 14 8.392 -2.417 -23.501 93 HB2 LEU 14 2HB LEU 14 7.486 -1.247 -21.694 94 HB3 LEU 14 1HB LEU 14 7.382 -0.124 -23.031 95 HG LEU 14 HG LEU 14 4.914 -1.252 -23.145 96 HD11 LEU 14 1HD1 LEU 14 5.691 -1.174 -20.232 97 HD12 LEU 14 2HD1 LEU 14 5.236 -2.604 -21.164 98 HD13 LEU 14 3HD1 LEU 14 4.048 -1.338 -20.845 99 HD21 LEU 14 3HD2 LEU 14 4.139 0.788 -22.016 100 HD22 LEU 14 1HD2 LEU 14 5.400 1.115 -23.203 101 HD23 LEU 14 2HD2 LEU 14 5.791 1.104 -21.485 102 H ARG 15 H ARG 15 5.100 -2.891 -24.587 103 HA ARG 15 HA ARG 15 5.203 -5.643 -23.902 104 HB2 ARG 15 2HB ARG 15 3.512 -5.822 -22.251 105 HB3 ARG 15 1HB ARG 15 4.615 -4.585 -21.665 106 HG2 ARG 15 2HG ARG 15 3.071 -2.849 -22.444 107 HG3 ARG 15 1HG ARG 15 1.968 -4.099 -23.022 108 HD2 ARG 15 2HD ARG 15 1.918 -4.976 -20.652 109 HD3 ARG 15 1HD ARG 15 2.755 -3.498 -20.180 110 HE ARG 15 HE ARG 15 0.082 -3.546 -21.448 111 HH11 ARG 15 1HH1 ARG 15 2.337 -2.255 -19.094 112 HH12 ARG 15 2HH1 ARG 15 1.258 -0.981 -18.581 113 HH21 ARG 15 1HH2 ARG 15 -1.326 -1.937 -20.772 114 HH22 ARG 15 2HH2 ARG 15 -0.845 -0.792 -19.546 115 H LEU 16 H LEU 16 3.051 -6.715 -24.405 116 HA LEU 16 HA LEU 16 2.046 -5.800 -26.897 117 HB2 LEU 16 2HB LEU 16 0.828 -7.816 -25.010 118 HB3 LEU 16 1HB LEU 16 0.424 -7.613 -26.704 119 HG LEU 16 HG LEU 16 3.130 -8.494 -25.684 120 HD11 LEU 16 1HD1 LEU 16 2.512 -10.718 -26.394 121 HD12 LEU 16 2HD1 LEU 16 0.938 -10.138 -26.935 122 HD13 LEU 16 3HD1 LEU 16 1.338 -10.122 -25.219 123 HD21 LEU 16 3HD2 LEU 16 3.207 -7.372 -27.863 124 HD22 LEU 16 1HD2 LEU 16 1.978 -8.481 -28.473 125 HD23 LEU 16 2HD2 LEU 16 3.562 -9.093 -27.998 126 H TRP 17 H TRP 17 1.230 -3.716 -26.650 127 HA TRP 17 HA TRP 17 -1.427 -3.494 -25.562 128 HB2 TRP 17 2HB TRP 17 -0.094 -3.236 -23.523 129 HB3 TRP 17 1HB TRP 17 0.868 -1.978 -24.287 130 HD1 TRP 17 HD TRP 17 -2.997 -2.353 -23.906 131 HE1 TRP 17 1HE TRP 17 -3.895 -0.155 -22.896 132 HE3 TRP 17 3HE TRP 17 1.427 0.139 -23.324 133 HZ2 TRP 17 2HZ TRP 17 -2.857 2.292 -21.973 134 HZ3 TRP 17 3HZ TRP 17 1.388 2.407 -22.365 135 HH2 TRP 17 HH TRP 17 -0.712 3.461 -21.703 136 H ALA 18 H ALA 18 -2.563 -2.049 -26.657 137 HA ALA 18 HA ALA 18 -3.175 -0.249 -27.885 138 HB1 ALA 18 3HB ALA 18 -1.767 1.722 -27.998 139 HB2 ALA 18 1HB ALA 18 -0.388 0.788 -27.415 140 HB3 ALA 18 2HB ALA 18 -1.777 1.059 -26.361 141 H LEU 19 H LEU 19 0.235 -0.365 -28.887 142 HA LEU 19 HA LEU 19 -0.649 -0.491 -31.661 143 HB2 LEU 19 2HB LEU 19 2.124 -0.159 -30.506 144 HB3 LEU 19 1HB LEU 19 1.705 -0.043 -32.205 145 HG LEU 19 HG LEU 19 0.717 1.815 -30.045 146 HD11 LEU 19 1HD1 LEU 19 2.145 3.475 -31.163 147 HD12 LEU 19 2HD1 LEU 19 2.791 2.202 -32.200 148 HD13 LEU 19 3HD1 LEU 19 3.071 2.152 -30.458 149 HD21 LEU 19 3HD2 LEU 19 -0.137 3.138 -31.943 150 HD22 LEU 19 1HD2 LEU 19 -0.914 1.560 -31.808 151 HD23 LEU 19 2HD2 LEU 19 0.322 1.833 -33.035 152 H SER 20 H SER 20 -1.258 -2.836 -30.472 153 HA SER 20 HA SER 20 0.860 -4.757 -30.821 154 HB2 SER 20 2HB SER 20 -0.930 -5.046 -29.120 155 HB3 SER 20 1HB SER 20 -2.104 -5.227 -30.423 156 HG SER 20 HG SER 20 -1.489 -7.263 -29.812 157 H LEU 21 H LEU 21 0.544 -6.661 -32.317 158 HA LEU 21 HA LEU 21 -0.160 -5.587 -34.946 159 HB2 LEU 21 2HB LEU 21 1.417 -8.042 -34.175 160 HB3 LEU 21 1HB LEU 21 1.117 -7.525 -35.822 161 HG LEU 21 HG LEU 21 2.724 -6.005 -33.762 162 HD11 LEU 21 1HD1 LEU 21 4.630 -6.546 -35.180 163 HD12 LEU 21 2HD1 LEU 21 3.585 -7.470 -36.258 164 HD13 LEU 21 3HD1 LEU 21 3.847 -8.017 -34.602 165 HD21 LEU 21 3HD2 LEU 21 1.563 -4.491 -35.277 166 HD22 LEU 21 1HD2 LEU 21 2.170 -5.389 -36.666 167 HD23 LEU 21 2HD2 LEU 21 3.291 -4.508 -35.627 168 H ALA 22 H ALA 22 -1.410 -6.800 -36.439 169 HA ALA 22 HA ALA 22 -3.381 -8.515 -35.089 170 HB1 ALA 22 3HB ALA 22 -3.580 -7.159 -37.772 171 HB2 ALA 22 1HB ALA 22 -4.231 -6.527 -36.259 172 HB3 ALA 22 2HB ALA 22 -4.866 -8.025 -36.934 173 H HIS 23 H HIS 23 -0.747 -8.686 -37.182 174 HA HIS 23 HA HIS 23 -1.247 -11.478 -37.650 175 HB2 HIS 23 2HB HIS 23 -1.008 -11.444 -40.044 176 HB3 HIS 23 1HB HIS 23 -2.310 -10.344 -39.614 177 HD1 HIS 23 1HD HIS 23 0.046 -10.477 -42.062 178 HD2 HIS 23 2HD HIS 23 -0.710 -7.590 -39.162 179 HE1 HIS 23 1HE HIS 23 1.019 -8.336 -42.959 180 HE2 HIS 23 2HE HIS 23 0.820 -6.700 -41.055 181 H ALA 24 H ALA 24 0.614 -12.655 -38.136 182 HA ALA 24 HA ALA 24 3.087 -11.255 -37.471 183 HB1 ALA 24 3HB ALA 24 4.062 -13.444 -37.144 184 HB2 ALA 24 1HB ALA 24 2.600 -14.216 -37.765 185 HB3 ALA 24 2HB ALA 24 2.547 -13.314 -36.249 186 H GLN 25 H GLN 25 1.555 -12.962 -40.087 187 HA GLN 25 HA GLN 25 3.884 -12.420 -41.789 188 HB2 GLN 25 2HB GLN 25 3.315 -14.774 -41.739 189 HB3 GLN 25 1HB GLN 25 1.633 -14.413 -42.091 190 HG2 GLN 25 2HG GLN 25 2.251 -13.607 -44.302 191 HG3 GLN 25 1HG GLN 25 3.950 -13.910 -43.950 192 HE21 GLN 25 1HE2 GLN 25 0.861 -15.352 -44.639 193 HE22 GLN 25 2HE2 GLN 25 1.453 -16.928 -45.023 Start of MODEL 8 1 H1 GLU 1 1HT GLU 1 6.135 4.867 -15.397 2 H2 GLU 1 2HT GLU 1 5.102 4.756 -16.741 3 H3 GLU 1 3HT GLU 1 5.651 6.272 -16.213 4 HA GLU 1 HA GLU 1 7.405 4.119 -17.248 5 HB2 GLU 1 2HB GLU 1 7.598 5.416 -19.276 6 HB3 GLU 1 1HB GLU 1 5.934 4.927 -19.001 7 HG2 GLU 1 2HG GLU 1 5.361 7.135 -18.256 8 HG3 GLU 1 1HG GLU 1 7.045 7.648 -18.374 9 H PHE 2 H PHE 2 9.524 4.755 -17.596 10 HA PHE 2 HA PHE 2 10.331 7.063 -15.974 11 HB2 PHE 2 2HB PHE 2 11.277 4.839 -15.389 12 HB3 PHE 2 1HB PHE 2 12.003 4.759 -16.991 13 HD1 PHE 2 2HD PHE 2 11.895 7.004 -14.015 14 HD2 PHE 2 1HD PHE 2 14.167 5.440 -17.248 15 HE1 PHE 2 2HE PHE 2 13.877 8.195 -13.188 16 HE2 PHE 2 1HE PHE 2 16.162 6.637 -16.429 17 HZ PHE 2 HZ PHE 2 16.013 8.019 -14.393 18 H CYS 3 H CYS 3 9.971 6.032 -19.200 19 HA CYS 3 HA CYS 3 12.213 7.568 -20.191 20 HB2 CYS 3 2HB CYS 3 10.233 6.291 -21.981 21 HB3 CYS 3 1HB CYS 3 11.978 6.436 -22.167 22 H LEU 4 H LEU 4 8.994 8.193 -19.484 23 HA LEU 4 HA LEU 4 7.453 9.754 -20.093 24 HB2 LEU 4 2HB LEU 4 10.001 11.226 -20.777 25 HB3 LEU 4 1HB LEU 4 8.417 11.963 -20.934 26 HG LEU 4 HG LEU 4 8.111 11.433 -18.441 27 HD11 LEU 4 1HD1 LEU 4 9.987 9.857 -18.265 28 HD12 LEU 4 2HD1 LEU 4 10.134 11.204 -17.135 29 HD13 LEU 4 3HD1 LEU 4 11.107 11.173 -18.606 30 HD21 LEU 4 3HD2 LEU 4 8.440 13.681 -19.268 31 HD22 LEU 4 1HD2 LEU 4 10.183 13.427 -19.337 32 HD23 LEU 4 2HD2 LEU 4 9.356 13.441 -17.780 33 H ASN 5 H ASN 5 7.906 7.709 -21.917 34 HA ASN 5 HA ASN 5 6.875 8.608 -24.334 35 HB2 ASN 5 2HB ASN 5 8.940 9.711 -24.840 36 HB3 ASN 5 1HB ASN 5 9.881 8.303 -24.342 37 HD21 ASN 5 1HD2 ASN 5 9.917 6.471 -25.646 38 HD22 ASN 5 2HD2 ASN 5 9.501 6.542 -27.334 39 H CYS 6 H CYS 6 9.037 6.187 -22.842 40 HA CYS 6 HA CYS 6 8.757 4.397 -25.005 41 HB2 CYS 6 2HB CYS 6 9.848 2.735 -23.618 42 HB3 CYS 6 1HB CYS 6 10.677 4.281 -23.503 43 H VAL 7 H VAL 7 6.928 4.970 -22.127 44 HA VAL 7 HA VAL 7 5.382 2.539 -22.639 45 HB VAL 7 HB VAL 7 5.425 4.379 -20.246 46 HG11 VAL 7 1HG1 VAL 7 3.862 2.812 -19.178 47 HG12 VAL 7 2HG1 VAL 7 3.742 1.902 -20.682 48 HG13 VAL 7 3HG1 VAL 7 3.135 3.557 -20.603 49 HG21 VAL 7 3HG2 VAL 7 6.247 1.491 -20.596 50 HG22 VAL 7 1HG2 VAL 7 6.282 2.390 -19.081 51 HG23 VAL 7 2HG2 VAL 7 7.331 2.871 -20.416 52 H SER 8 H SER 8 4.943 6.025 -22.185 53 HA SER 8 HA SER 8 2.142 5.963 -22.682 54 HB2 SER 8 2HB SER 8 2.355 8.440 -22.806 55 HB3 SER 8 1HB SER 8 3.074 7.747 -21.352 56 HG SER 8 HG SER 8 4.926 8.522 -21.940 57 H HIS 9 H HIS 9 4.922 6.957 -24.678 58 HA HIS 9 HA HIS 9 3.145 7.632 -26.868 59 HB2 HIS 9 2HB HIS 9 5.123 9.030 -26.210 60 HB3 HIS 9 1HB HIS 9 6.163 7.728 -26.785 61 HD1 HIS 9 1HD HIS 9 4.558 10.783 -27.855 62 HD2 HIS 9 2HD HIS 9 5.696 7.221 -29.696 63 HE1 HIS 9 1HE HIS 9 4.651 11.280 -30.322 64 HE2 HIS 9 2HE HIS 9 5.296 9.109 -31.430 65 H THR 10 H THR 10 5.468 5.136 -26.024 66 HA THR 10 HA THR 10 5.251 4.009 -28.711 67 HB THR 10 HB THR 10 6.917 2.929 -26.441 68 HG1 THR 10 1HG THR 10 7.250 5.281 -27.308 69 HG21 THR 10 3HG2 THR 10 8.231 1.962 -28.260 70 HG22 THR 10 1HG2 THR 10 7.161 2.713 -29.443 71 HG23 THR 10 2HG2 THR 10 6.545 1.459 -28.368 72 H ALA 11 H ALA 11 5.142 2.871 -25.368 73 HA ALA 11 HA ALA 11 3.896 1.312 -24.286 74 HB1 ALA 11 3HB ALA 11 1.975 2.555 -25.111 75 HB2 ALA 11 1HB ALA 11 1.635 0.827 -25.064 76 HB3 ALA 11 2HB ALA 11 1.994 1.612 -26.602 77 H SER 12 H SER 12 3.557 0.514 -27.738 78 HA SER 12 HA SER 12 3.072 -2.155 -27.578 79 HB2 SER 12 2HB SER 12 3.187 -0.613 -29.625 80 HB3 SER 12 1HB SER 12 4.896 -1.032 -29.694 81 HG SER 12 HG SER 12 2.795 -2.434 -30.574 82 H TYR 13 H TYR 13 6.315 -0.751 -27.945 83 HA TYR 13 HA TYR 13 7.702 -3.138 -28.202 84 HB2 TYR 13 2HB TYR 13 8.583 -0.947 -28.840 85 HB3 TYR 13 1HB TYR 13 8.690 -0.482 -27.149 86 HD1 TYR 13 2HD TYR 13 9.880 -3.168 -29.449 87 HD2 TYR 13 1HD TYR 13 10.746 -0.704 -26.093 88 HE1 TYR 13 2HE TYR 13 12.164 -4.072 -29.384 89 HE2 TYR 13 1HE TYR 13 13.039 -1.593 -26.023 90 HH TYR 13 HH TYR 13 14.299 -3.502 -26.740 91 H LEU 14 H LEU 14 6.643 -1.539 -25.267 92 HA LEU 14 HA LEU 14 8.209 -3.493 -23.708 93 HB2 LEU 14 2HB LEU 14 7.292 -0.722 -22.930 94 HB3 LEU 14 1HB LEU 14 8.047 -1.857 -21.828 95 HG LEU 14 HG LEU 14 9.332 -0.687 -24.298 96 HD11 LEU 14 1HD1 LEU 14 9.095 0.949 -22.521 97 HD12 LEU 14 2HD1 LEU 14 10.782 0.468 -22.700 98 HD13 LEU 14 3HD1 LEU 14 9.820 -0.174 -21.369 99 HD21 LEU 14 3HD2 LEU 14 10.429 -2.534 -22.187 100 HD22 LEU 14 1HD2 LEU 14 11.379 -1.755 -23.450 101 HD23 LEU 14 2HD2 LEU 14 10.139 -2.932 -23.881 102 H ARG 15 H ARG 15 5.161 -3.002 -24.773 103 HA ARG 15 HA ARG 15 4.002 -4.138 -22.311 104 HB2 ARG 15 2HB ARG 15 2.753 -2.174 -24.228 105 HB3 ARG 15 1HB ARG 15 1.830 -3.068 -23.030 106 HG2 ARG 15 2HG ARG 15 4.082 -1.161 -22.424 107 HG3 ARG 15 1HG ARG 15 2.362 -0.802 -22.283 108 HD2 ARG 15 2HD ARG 15 3.886 -2.887 -20.728 109 HD3 ARG 15 1HD ARG 15 3.280 -1.351 -20.110 110 HE ARG 15 HE ARG 15 1.020 -2.422 -20.923 111 HH11 ARG 15 1HH1 ARG 15 3.660 -3.931 -19.163 112 HH12 ARG 15 2HH1 ARG 15 2.627 -5.126 -18.418 113 HH21 ARG 15 1HH2 ARG 15 -0.314 -3.943 -19.984 114 HH22 ARG 15 2HH2 ARG 15 0.348 -5.140 -18.899 115 H LEU 16 H LEU 16 3.741 -3.997 -25.845 116 HA LEU 16 HA LEU 16 1.886 -6.233 -25.823 117 HB2 LEU 16 2HB LEU 16 3.011 -4.623 -28.117 118 HB3 LEU 16 1HB LEU 16 1.829 -5.907 -28.283 119 HG LEU 16 HG LEU 16 1.428 -3.271 -26.866 120 HD11 LEU 16 1HD1 LEU 16 -0.239 -2.880 -28.612 121 HD12 LEU 16 2HD1 LEU 16 0.190 -4.415 -29.369 122 HD13 LEU 16 3HD1 LEU 16 1.371 -3.109 -29.297 123 HD21 LEU 16 3HD2 LEU 16 0.270 -5.069 -25.691 124 HD22 LEU 16 1HD2 LEU 16 -0.490 -5.578 -27.197 125 HD23 LEU 16 2HD2 LEU 16 -0.870 -3.999 -26.506 126 H TRP 17 H TRP 17 5.086 -5.968 -25.514 127 HA TRP 17 HA TRP 17 5.802 -8.234 -27.193 128 HB2 TRP 17 2HB TRP 17 7.304 -6.199 -26.826 129 HB3 TRP 17 1HB TRP 17 7.558 -6.797 -25.192 130 HD1 TRP 17 HD TRP 17 8.067 -8.045 -28.830 131 HE1 TRP 17 1HE TRP 17 10.153 -9.558 -28.871 132 HE3 TRP 17 3HE TRP 17 9.191 -7.997 -23.839 133 HZ2 TRP 17 2HZ TRP 17 12.023 -10.592 -27.014 134 HZ3 TRP 17 3HZ TRP 17 11.140 -9.274 -23.053 135 HH2 TRP 17 HH TRP 17 12.527 -10.545 -24.607 136 H ALA 18 H ALA 18 4.251 -7.837 -24.371 137 HA ALA 18 HA ALA 18 5.554 -9.963 -22.877 138 HB1 ALA 18 3HB ALA 18 3.890 -9.486 -21.150 139 HB2 ALA 18 1HB ALA 18 3.088 -8.352 -22.234 140 HB3 ALA 18 2HB ALA 18 4.724 -8.019 -21.666 141 H LEU 19 H LEU 19 4.784 -11.985 -22.620 142 HA LEU 19 HA LEU 19 3.675 -13.910 -23.089 143 HB2 LEU 19 2HB LEU 19 1.364 -12.064 -23.696 144 HB3 LEU 19 1HB LEU 19 1.244 -13.810 -23.612 145 HG LEU 19 HG LEU 19 1.979 -11.987 -21.318 146 HD11 LEU 19 1HD1 LEU 19 -0.218 -12.597 -20.430 147 HD12 LEU 19 2HD1 LEU 19 -0.560 -13.509 -21.899 148 HD13 LEU 19 3HD1 LEU 19 -0.352 -11.759 -21.976 149 HD21 LEU 19 3HD2 LEU 19 1.518 -14.971 -21.392 150 HD22 LEU 19 1HD2 LEU 19 1.776 -14.007 -19.936 151 HD23 LEU 19 2HD2 LEU 19 3.064 -14.165 -21.129 152 H SER 20 H SER 20 4.978 -12.129 -25.195 153 HA SER 20 HA SER 20 3.655 -12.895 -27.638 154 HB2 SER 20 2HB SER 20 4.807 -10.712 -27.390 155 HB3 SER 20 1HB SER 20 6.341 -11.561 -27.230 156 HG SER 20 HG SER 20 4.622 -11.435 -29.489 157 H LEU 21 H LEU 21 4.433 -14.350 -29.169 158 HA LEU 21 HA LEU 21 5.801 -16.621 -28.112 159 HB2 LEU 21 2HB LEU 21 4.926 -15.963 -30.929 160 HB3 LEU 21 1HB LEU 21 5.648 -17.488 -30.464 161 HG LEU 21 HG LEU 21 3.347 -17.910 -30.564 162 HD11 LEU 21 1HD1 LEU 21 4.366 -18.836 -28.565 163 HD12 LEU 21 2HD1 LEU 21 2.686 -18.390 -28.267 164 HD13 LEU 21 3HD1 LEU 21 3.990 -17.361 -27.673 165 HD21 LEU 21 3HD2 LEU 21 2.912 -15.381 -28.986 166 HD22 LEU 21 1HD2 LEU 21 1.653 -16.537 -29.424 167 HD23 LEU 21 2HD2 LEU 21 2.513 -15.652 -30.683 168 H ALA 22 H ALA 22 7.923 -17.148 -28.236 169 HA ALA 22 HA ALA 22 9.682 -15.106 -29.371 170 HB1 ALA 22 3HB ALA 22 11.437 -16.127 -27.988 171 HB2 ALA 22 1HB ALA 22 10.291 -17.360 -27.459 172 HB3 ALA 22 2HB ALA 22 10.034 -15.672 -27.019 173 H HIS 23 H HIS 23 8.983 -18.557 -29.497 174 HA HIS 23 HA HIS 23 10.080 -18.690 -32.148 175 HB2 HIS 23 2HB HIS 23 11.746 -20.400 -31.724 176 HB3 HIS 23 1HB HIS 23 12.127 -18.962 -30.792 177 HD1 HIS 23 1HD HIS 23 11.885 -22.548 -30.464 178 HD2 HIS 23 2HD HIS 23 11.205 -19.289 -27.957 179 HE1 HIS 23 1HE HIS 23 11.901 -23.466 -28.125 180 HE2 HIS 23 2HE HIS 23 11.728 -21.450 -26.628 181 H ALA 24 H ALA 24 8.786 -19.951 -33.285 182 HA ALA 24 HA ALA 24 7.085 -21.912 -32.037 183 HB1 ALA 24 3HB ALA 24 6.364 -20.688 -34.039 184 HB2 ALA 24 1HB ALA 24 6.359 -22.428 -34.313 185 HB3 ALA 24 2HB ALA 24 7.667 -21.437 -34.963 186 H GLN 25 H GLN 25 10.049 -21.885 -33.910 187 HA GLN 25 HA GLN 25 10.522 -24.684 -33.159 188 HB2 GLN 25 2HB GLN 25 10.308 -24.404 -35.579 189 HB3 GLN 25 1HB GLN 25 11.513 -23.124 -35.548 190 HG2 GLN 25 2HG GLN 25 12.561 -25.094 -36.371 191 HG3 GLN 25 1HG GLN 25 13.159 -24.820 -34.736 192 HE21 GLN 25 1HE2 GLN 25 11.126 -26.804 -36.743 193 HE22 GLN 25 2HE2 GLN 25 11.012 -28.145 -35.643 Start of MODEL 9 1 H1 GLU 1 1HT GLU 1 14.816 1.173 -20.674 2 H2 GLU 1 2HT GLU 1 15.629 2.662 -20.741 3 H3 GLU 1 3HT GLU 1 16.511 1.212 -20.707 4 HA GLU 1 HA GLU 1 15.588 0.585 -22.846 5 HB2 GLU 1 2HB GLU 1 14.350 2.178 -24.154 6 HB3 GLU 1 1HB GLU 1 13.507 1.823 -22.656 7 HG2 GLU 1 2HG GLU 1 14.163 3.927 -21.726 8 HG3 GLU 1 1HG GLU 1 15.179 4.276 -23.131 9 H PHE 2 H PHE 2 17.069 0.661 -24.343 10 HA PHE 2 HA PHE 2 19.358 2.336 -23.928 11 HB2 PHE 2 2HB PHE 2 19.485 -0.064 -24.570 12 HB3 PHE 2 1HB PHE 2 18.779 0.344 -26.127 13 HD1 PHE 2 2HD PHE 2 21.724 0.959 -23.968 14 HD2 PHE 2 1HD PHE 2 20.110 1.029 -27.902 15 HE1 PHE 2 2HE PHE 2 23.978 1.373 -24.886 16 HE2 PHE 2 1HE PHE 2 22.351 1.432 -28.825 17 HZ PHE 2 HZ PHE 2 24.284 1.606 -27.321 18 H CYS 3 H CYS 3 16.632 2.278 -26.151 19 HA CYS 3 HA CYS 3 17.899 4.134 -27.924 20 HB2 CYS 3 2HB CYS 3 16.468 2.520 -28.927 21 HB3 CYS 3 1HB CYS 3 15.128 2.992 -27.891 22 H LEU 4 H LEU 4 16.219 4.435 -25.042 23 HA LEU 4 HA LEU 4 15.118 6.101 -23.954 24 HB2 LEU 4 2HB LEU 4 16.666 7.868 -25.862 25 HB3 LEU 4 1HB LEU 4 15.852 8.409 -24.405 26 HG LEU 4 HG LEU 4 18.183 6.496 -24.496 27 HD11 LEU 4 1HD1 LEU 4 19.432 8.322 -23.448 28 HD12 LEU 4 2HD1 LEU 4 18.031 9.377 -23.623 29 HD13 LEU 4 3HD1 LEU 4 18.855 8.764 -25.056 30 HD21 LEU 4 3HD2 LEU 4 16.751 7.737 -22.161 31 HD22 LEU 4 1HD2 LEU 4 18.193 6.726 -22.078 32 HD23 LEU 4 2HD2 LEU 4 16.668 6.043 -22.642 33 H ASN 5 H ASN 5 13.645 4.849 -25.847 34 HA ASN 5 HA ASN 5 11.434 6.313 -26.336 35 HB2 ASN 5 2HB ASN 5 12.881 7.754 -27.815 36 HB3 ASN 5 1HB ASN 5 13.105 6.349 -28.858 37 HD21 ASN 5 1HD2 ASN 5 11.135 5.365 -29.756 38 HD22 ASN 5 2HD2 ASN 5 9.803 6.398 -30.131 39 H CYS 6 H CYS 6 13.648 3.920 -27.756 40 HA CYS 6 HA CYS 6 11.558 2.909 -29.473 41 HB2 CYS 6 2HB CYS 6 14.369 1.897 -29.016 42 HB3 CYS 6 1HB CYS 6 13.265 1.288 -30.243 43 H VAL 7 H VAL 7 12.274 2.525 -26.324 44 HA VAL 7 HA VAL 7 11.294 -0.222 -26.337 45 HB VAL 7 HB VAL 7 13.472 1.037 -24.684 46 HG11 VAL 7 1HG1 VAL 7 11.995 -1.536 -24.062 47 HG12 VAL 7 2HG1 VAL 7 11.952 -0.056 -23.103 48 HG13 VAL 7 3HG1 VAL 7 13.454 -0.970 -23.248 49 HG21 VAL 7 3HG2 VAL 7 14.667 -1.040 -25.333 50 HG22 VAL 7 1HG2 VAL 7 14.187 -0.045 -26.709 51 HG23 VAL 7 2HG2 VAL 7 13.272 -1.501 -26.309 52 H SER 8 H SER 8 11.519 2.738 -24.338 53 HA SER 8 HA SER 8 9.129 1.842 -22.951 54 HB2 SER 8 2HB SER 8 10.935 4.162 -22.296 55 HB3 SER 8 1HB SER 8 9.583 3.600 -21.310 56 HG SER 8 HG SER 8 11.355 1.622 -21.984 57 H HIS 9 H HIS 9 10.237 4.561 -24.928 58 HA HIS 9 HA HIS 9 7.697 5.935 -24.645 59 HB2 HIS 9 2HB HIS 9 10.152 6.557 -26.298 60 HB3 HIS 9 1HB HIS 9 8.690 7.542 -26.333 61 HD1 HIS 9 1HD HIS 9 10.259 9.499 -25.401 62 HD2 HIS 9 2HD HIS 9 9.590 6.314 -22.806 63 HE1 HIS 9 1HE HIS 9 10.943 10.317 -23.125 64 HE2 HIS 9 2HE HIS 9 10.462 8.403 -21.559 65 H THR 10 H THR 10 6.818 3.747 -25.454 66 HA THR 10 HA THR 10 6.018 4.143 -28.231 67 HB THR 10 HB THR 10 7.709 2.595 -28.673 68 HG1 THR 10 1HG THR 10 6.472 1.159 -29.619 69 HG21 THR 10 3HG2 THR 10 8.338 2.064 -26.391 70 HG22 THR 10 1HG2 THR 10 8.149 0.586 -27.329 71 HG23 THR 10 2HG2 THR 10 6.887 1.081 -26.199 72 H ALA 11 H ALA 11 5.652 2.331 -25.233 73 HA ALA 11 HA ALA 11 3.879 1.532 -24.099 74 HB1 ALA 11 3HB ALA 11 1.660 2.412 -24.450 75 HB2 ALA 11 1HB ALA 11 2.132 3.080 -26.015 76 HB3 ALA 11 2HB ALA 11 2.830 3.727 -24.530 77 H SER 12 H SER 12 4.363 0.905 -27.367 78 HA SER 12 HA SER 12 2.473 -1.333 -27.365 79 HB2 SER 12 2HB SER 12 2.546 0.168 -29.349 80 HB3 SER 12 1HB SER 12 4.228 -0.286 -29.605 81 HG SER 12 HG SER 12 1.948 -1.617 -30.285 82 H TYR 13 H TYR 13 5.866 -0.679 -28.190 83 HA TYR 13 HA TYR 13 6.690 -3.323 -28.493 84 HB2 TYR 13 2HB TYR 13 7.940 -1.398 -29.323 85 HB3 TYR 13 1HB TYR 13 8.292 -0.890 -27.681 86 HD1 TYR 13 2HD TYR 13 9.024 -3.443 -30.269 87 HD2 TYR 13 1HD TYR 13 10.075 -1.872 -26.454 88 HE1 TYR 13 2HE TYR 13 11.079 -4.791 -30.284 89 HE2 TYR 13 1HE TYR 13 12.130 -3.218 -26.459 90 HH TYR 13 HH TYR 13 13.274 -4.838 -29.259 91 H LEU 14 H LEU 14 6.787 -1.246 -25.631 92 HA LEU 14 HA LEU 14 8.086 -3.233 -24.025 93 HB2 LEU 14 2HB LEU 14 8.365 -0.820 -23.645 94 HB3 LEU 14 1HB LEU 14 6.670 -0.695 -23.211 95 HG LEU 14 HG LEU 14 7.089 -2.180 -21.272 96 HD11 LEU 14 1HD1 LEU 14 9.966 -1.952 -22.142 97 HD12 LEU 14 2HD1 LEU 14 8.989 -3.419 -22.122 98 HD13 LEU 14 3HD1 LEU 14 9.416 -2.624 -20.606 99 HD21 LEU 14 3HD2 LEU 14 8.856 0.255 -21.426 100 HD22 LEU 14 1HD2 LEU 14 8.289 -0.519 -19.945 101 HD23 LEU 14 2HD2 LEU 14 7.136 0.249 -21.035 102 H ARG 15 H ARG 15 4.794 -2.493 -24.808 103 HA ARG 15 HA ARG 15 3.751 -3.810 -22.450 104 HB2 ARG 15 2HB ARG 15 2.559 -1.869 -23.274 105 HB3 ARG 15 1HB ARG 15 2.374 -2.610 -24.859 106 HG2 ARG 15 2HG ARG 15 0.736 -4.052 -24.139 107 HG3 ARG 15 1HG ARG 15 1.253 -3.969 -22.451 108 HD2 ARG 15 2HD ARG 15 -0.870 -2.791 -22.840 109 HD3 ARG 15 1HD ARG 15 0.402 -1.716 -22.265 110 HE ARG 15 HE ARG 15 0.615 -1.325 -24.873 111 HH11 ARG 15 1HH1 ARG 15 -2.264 -1.605 -22.906 112 HH12 ARG 15 2HH1 ARG 15 -3.200 -0.505 -23.889 113 HH21 ARG 15 1HH2 ARG 15 -0.581 0.154 -26.151 114 HH22 ARG 15 2HH2 ARG 15 -2.233 0.520 -25.711 115 H LEU 16 H LEU 16 4.102 -4.465 -25.907 116 HA LEU 16 HA LEU 16 2.891 -7.081 -25.636 117 HB2 LEU 16 2HB LEU 16 4.428 -5.859 -27.939 118 HB3 LEU 16 1HB LEU 16 3.598 -7.401 -27.992 119 HG LEU 16 HG LEU 16 2.278 -4.716 -27.602 120 HD11 LEU 16 1HD1 LEU 16 3.155 -4.984 -29.846 121 HD12 LEU 16 2HD1 LEU 16 1.395 -5.073 -29.848 122 HD13 LEU 16 3HD1 LEU 16 2.351 -6.548 -29.994 123 HD21 LEU 16 3HD2 LEU 16 1.053 -6.472 -26.470 124 HD22 LEU 16 1HD2 LEU 16 1.103 -7.473 -27.921 125 HD23 LEU 16 2HD2 LEU 16 0.185 -5.969 -27.921 126 H TRP 17 H TRP 17 6.081 -6.002 -26.759 127 HA TRP 17 HA TRP 17 8.193 -6.649 -26.320 128 HB2 TRP 17 2HB TRP 17 7.304 -6.738 -23.920 129 HB3 TRP 17 1HB TRP 17 7.200 -8.479 -24.146 130 HD1 TRP 17 HD TRP 17 9.389 -9.845 -23.807 131 HE1 TRP 17 1HE TRP 17 11.836 -9.229 -23.273 132 HE3 TRP 17 3HE TRP 17 9.095 -4.781 -24.435 133 HZ2 TRP 17 2HZ TRP 17 13.420 -6.892 -23.138 134 HZ3 TRP 17 3HZ TRP 17 11.115 -3.427 -24.085 135 HH2 TRP 17 HH TRP 17 13.234 -4.458 -23.449 136 H ALA 18 H ALA 18 5.887 -9.333 -26.190 137 HA ALA 18 HA ALA 18 7.767 -11.047 -27.608 138 HB1 ALA 18 3HB ALA 18 6.013 -12.764 -27.414 139 HB2 ALA 18 1HB ALA 18 4.949 -11.574 -26.663 140 HB3 ALA 18 2HB ALA 18 6.430 -12.073 -25.846 141 H LEU 19 H LEU 19 7.458 -11.764 -29.705 142 HA LEU 19 HA LEU 19 6.926 -11.544 -31.908 143 HB2 LEU 19 2HB LEU 19 4.214 -10.822 -30.787 144 HB3 LEU 19 1HB LEU 19 4.539 -11.191 -32.470 145 HG LEU 19 HG LEU 19 4.889 -13.115 -30.166 146 HD11 LEU 19 1HD1 LEU 19 2.550 -12.639 -30.611 147 HD12 LEU 19 2HD1 LEU 19 2.961 -14.265 -31.153 148 HD13 LEU 19 3HD1 LEU 19 2.793 -12.964 -32.328 149 HD21 LEU 19 3HD2 LEU 19 6.479 -13.500 -31.999 150 HD22 LEU 19 1HD2 LEU 19 5.141 -13.546 -33.146 151 HD23 LEU 19 2HD2 LEU 19 5.278 -14.786 -31.900 152 H SER 20 H SER 20 7.800 -9.177 -30.280 153 HA SER 20 HA SER 20 6.611 -6.920 -31.646 154 HB2 SER 20 2HB SER 20 8.893 -7.074 -29.658 155 HB3 SER 20 1HB SER 20 8.189 -5.578 -30.265 156 HG SER 20 HG SER 20 6.411 -7.428 -29.209 157 H LEU 21 H LEU 21 9.029 -9.163 -32.201 158 HA LEU 21 HA LEU 21 10.379 -9.507 -33.990 159 HB2 LEU 21 2HB LEU 21 9.385 -6.823 -34.947 160 HB3 LEU 21 1HB LEU 21 10.359 -7.932 -35.894 161 HG LEU 21 HG LEU 21 7.566 -8.488 -34.882 162 HD11 LEU 21 1HD1 LEU 21 6.925 -8.295 -37.234 163 HD12 LEU 21 2HD1 LEU 21 8.575 -7.820 -37.641 164 HD13 LEU 21 3HD1 LEU 21 7.588 -6.786 -36.609 165 HD21 LEU 21 3HD2 LEU 21 8.899 -10.524 -35.074 166 HD22 LEU 21 1HD2 LEU 21 9.354 -10.077 -36.721 167 HD23 LEU 21 2HD2 LEU 21 7.676 -10.453 -36.341 168 H ALA 22 H ALA 22 12.476 -8.919 -34.801 169 HA ALA 22 HA ALA 22 13.888 -7.068 -33.017 170 HB1 ALA 22 3HB ALA 22 15.014 -9.078 -34.974 171 HB2 ALA 22 1HB ALA 22 14.787 -9.352 -33.246 172 HB3 ALA 22 2HB ALA 22 15.931 -8.132 -33.802 173 H HIS 23 H HIS 23 12.318 -6.915 -35.833 174 HA HIS 23 HA HIS 23 13.775 -4.563 -36.663 175 HB2 HIS 23 2HB HIS 23 13.899 -5.224 -39.021 176 HB3 HIS 23 1HB HIS 23 14.823 -6.333 -38.017 177 HD1 HIS 23 1HD HIS 23 12.375 -6.303 -40.674 178 HD2 HIS 23 2HD HIS 23 13.249 -8.798 -37.446 179 HE1 HIS 23 1HE HIS 23 11.220 -8.487 -41.156 180 HE2 HIS 23 2HE HIS 23 11.946 -10.044 -39.305 181 H ALA 24 H ALA 24 12.438 -3.000 -37.318 182 HA ALA 24 HA ALA 24 9.616 -3.384 -37.177 183 HB1 ALA 24 3HB ALA 24 10.735 -1.277 -36.551 184 HB2 ALA 24 1HB ALA 24 9.461 -1.041 -37.751 185 HB3 ALA 24 2HB ALA 24 11.153 -1.025 -38.245 186 H GLN 25 H GLN 25 11.835 -2.565 -39.833 187 HA GLN 25 HA GLN 25 10.012 -3.962 -41.664 188 HB2 GLN 25 2HB GLN 25 9.781 -1.547 -41.952 189 HB3 GLN 25 1HB GLN 25 11.523 -1.394 -42.139 190 HG2 GLN 25 2HG GLN 25 11.407 -2.713 -44.198 191 HG3 GLN 25 1HG GLN 25 9.663 -2.864 -44.001 192 HE21 GLN 25 1HE2 GLN 25 12.288 -0.718 -44.773 193 HE22 GLN 25 2HE2 GLN 25 11.317 0.538 -45.460 Start of MODEL 10 1 H1 GLU 1 1HT GLU 1 13.637 2.709 -19.047 2 H2 GLU 1 2HT GLU 1 12.057 3.317 -19.034 3 H3 GLU 1 3HT GLU 1 13.364 4.372 -18.842 4 HA GLU 1 HA GLU 1 12.720 2.816 -21.276 5 HB2 GLU 1 2HB GLU 1 12.418 5.126 -22.264 6 HB3 GLU 1 1HB GLU 1 11.166 4.589 -21.158 7 HG2 GLU 1 2HG GLU 1 13.429 6.406 -20.366 8 HG3 GLU 1 1HG GLU 1 11.856 6.974 -20.922 9 H PHE 2 H PHE 2 14.393 2.320 -22.425 10 HA PHE 2 HA PHE 2 17.018 3.184 -21.939 11 HB2 PHE 2 2HB PHE 2 16.480 1.046 -23.031 12 HB3 PHE 2 1HB PHE 2 15.845 1.910 -24.425 13 HD1 PHE 2 1HD PHE 2 18.918 1.134 -22.530 14 HD2 PHE 2 2HD PHE 2 17.274 2.731 -26.122 15 HE1 PHE 2 1HE PHE 2 21.149 1.111 -23.555 16 HE2 PHE 2 2HE PHE 2 19.510 2.713 -27.152 17 HZ PHE 2 HZ PHE 2 21.453 1.933 -25.859 18 H CYS 3 H CYS 3 14.875 3.964 -24.707 19 HA CYS 3 HA CYS 3 16.677 6.061 -25.522 20 HB2 CYS 3 2HB CYS 3 13.953 5.633 -26.698 21 HB3 CYS 3 1HB CYS 3 15.401 6.260 -27.479 22 H LEU 4 H LEU 4 14.911 6.124 -22.984 23 HA LEU 4 HA LEU 4 13.499 7.501 -21.843 24 HB2 LEU 4 2HB LEU 4 14.742 9.552 -23.678 25 HB3 LEU 4 1HB LEU 4 13.834 9.921 -22.225 26 HG LEU 4 HG LEU 4 16.456 8.438 -22.342 27 HD11 LEU 4 1HD1 LEU 4 17.351 10.416 -21.224 28 HD12 LEU 4 2HD1 LEU 4 15.776 11.199 -21.351 29 HD13 LEU 4 3HD1 LEU 4 16.686 10.812 -22.812 30 HD21 LEU 4 3HD2 LEU 4 15.071 7.618 -20.531 31 HD22 LEU 4 1HD2 LEU 4 14.778 9.266 -19.980 32 HD23 LEU 4 2HD2 LEU 4 16.402 8.583 -19.898 33 H ASN 5 H ASN 5 12.314 6.153 -24.017 34 HA ASN 5 HA ASN 5 9.925 7.457 -24.521 35 HB2 ASN 5 2HB ASN 5 11.231 9.060 -25.856 36 HB3 ASN 5 1HB ASN 5 11.885 7.734 -26.814 37 HD21 ASN 5 1HD2 ASN 5 10.451 6.549 -28.174 38 HD22 ASN 5 2HD2 ASN 5 9.009 7.297 -28.780 39 H CYS 6 H CYS 6 12.202 5.686 -26.625 40 HA CYS 6 HA CYS 6 10.334 4.163 -27.985 41 HB2 CYS 6 2HB CYS 6 12.140 2.854 -28.786 42 HB3 CYS 6 1HB CYS 6 12.806 4.459 -28.508 43 H VAL 7 H VAL 7 11.347 3.786 -24.776 44 HA VAL 7 HA VAL 7 10.598 0.976 -24.729 45 HB VAL 7 HB VAL 7 12.218 2.683 -22.855 46 HG11 VAL 7 1HG1 VAL 7 11.263 -0.149 -22.383 47 HG12 VAL 7 2HG1 VAL 7 10.800 1.273 -21.451 48 HG13 VAL 7 3HG1 VAL 7 12.466 0.700 -21.411 49 HG21 VAL 7 3HG2 VAL 7 13.399 1.782 -24.764 50 HG22 VAL 7 1HG2 VAL 7 12.817 0.159 -24.396 51 HG23 VAL 7 2HG2 VAL 7 13.929 0.968 -23.293 52 H SER 8 H SER 8 9.945 4.044 -23.088 53 HA SER 8 HA SER 8 7.721 2.854 -21.679 54 HB2 SER 8 2HB SER 8 8.837 5.656 -21.537 55 HB3 SER 8 1HB SER 8 7.554 5.018 -20.505 56 HG SER 8 HG SER 8 9.718 4.964 -19.585 57 H HIS 9 H HIS 9 8.139 5.872 -23.522 58 HA HIS 9 HA HIS 9 5.377 5.999 -24.267 59 HB2 HIS 9 2HB HIS 9 6.787 8.019 -23.994 60 HB3 HIS 9 1HB HIS 9 7.760 7.512 -25.372 61 HD1 HIS 9 1HD HIS 9 7.235 9.021 -27.228 62 HD2 HIS 9 2HD HIS 9 3.816 7.934 -25.130 63 HE1 HIS 9 1HE HIS 9 5.321 10.114 -28.436 64 HE2 HIS 9 2HE HIS 9 3.283 9.582 -27.052 65 H THR 10 H THR 10 4.915 4.100 -25.301 66 HA THR 10 HA THR 10 5.483 3.920 -28.086 67 HB THR 10 HB THR 10 7.588 2.973 -27.492 68 HG1 THR 10 1HG THR 10 7.022 1.615 -29.028 69 HG21 THR 10 3HG2 THR 10 6.139 1.154 -25.558 70 HG22 THR 10 1HG2 THR 10 7.194 2.505 -25.132 71 HG23 THR 10 2HG2 THR 10 7.860 1.086 -25.937 72 H ALA 11 H ALA 11 4.515 2.120 -25.187 73 HA ALA 11 HA ALA 11 2.782 0.722 -24.727 74 HB1 ALA 11 3HB ALA 11 0.623 1.209 -25.750 75 HB2 ALA 11 1HB ALA 11 1.419 2.222 -26.956 76 HB3 ALA 11 2HB ALA 11 1.448 2.689 -25.254 77 H SER 12 H SER 12 4.760 0.048 -26.894 78 HA SER 12 HA SER 12 3.283 -2.281 -27.861 79 HB2 SER 12 2HB SER 12 3.464 -0.413 -29.616 80 HB3 SER 12 1HB SER 12 5.189 -0.772 -29.646 81 HG SER 12 HG SER 12 4.468 -2.113 -31.151 82 H TYR 13 H TYR 13 6.464 -0.716 -27.770 83 HA TYR 13 HA TYR 13 8.001 -2.979 -28.267 84 HB2 TYR 13 2HB TYR 13 8.830 -0.689 -28.476 85 HB3 TYR 13 1HB TYR 13 8.743 -0.488 -26.729 86 HD1 TYR 13 2HD TYR 13 10.479 -2.321 -29.440 87 HD2 TYR 13 1HD TYR 13 10.501 -1.234 -25.331 88 HE1 TYR 13 2HE TYR 13 12.770 -3.173 -29.239 89 HE2 TYR 13 1HE TYR 13 12.803 -2.082 -25.119 90 HH TYR 13 HH TYR 13 14.267 -3.789 -26.322 91 H LEU 14 H LEU 14 7.731 -1.388 -25.062 92 HA LEU 14 HA LEU 14 8.726 -3.795 -23.800 93 HB2 LEU 14 2HB LEU 14 9.453 -1.558 -23.057 94 HB3 LEU 14 1HB LEU 14 7.809 -1.192 -22.568 95 HG LEU 14 HG LEU 14 7.956 -3.088 -20.927 96 HD11 LEU 14 1HD1 LEU 14 10.208 -3.904 -20.356 97 HD12 LEU 14 2HD1 LEU 14 10.853 -3.049 -21.760 98 HD13 LEU 14 3HD1 LEU 14 9.707 -4.372 -21.980 99 HD21 LEU 14 3HD2 LEU 14 9.958 -0.848 -20.671 100 HD22 LEU 14 1HD2 LEU 14 9.379 -1.850 -19.340 101 HD23 LEU 14 2HD2 LEU 14 8.257 -0.799 -20.204 102 H ARG 15 H ARG 15 5.685 -2.474 -24.561 103 HA ARG 15 HA ARG 15 4.338 -4.510 -22.976 104 HB2 ARG 15 2HB ARG 15 4.294 -2.664 -21.450 105 HB3 ARG 15 1HB ARG 15 3.827 -1.543 -22.717 106 HG2 ARG 15 2HG ARG 15 1.960 -2.031 -21.253 107 HG3 ARG 15 1HG ARG 15 1.643 -2.626 -22.881 108 HD2 ARG 15 2HD ARG 15 2.229 -4.886 -22.181 109 HD3 ARG 15 1HD ARG 15 2.608 -4.296 -20.564 110 HE ARG 15 HE ARG 15 -0.009 -3.530 -21.098 111 HH11 ARG 15 1HH1 ARG 15 1.789 -6.526 -20.793 112 HH12 ARG 15 2HH1 ARG 15 0.439 -7.410 -20.147 113 HH21 ARG 15 1HH2 ARG 15 -1.770 -4.682 -20.218 114 HH22 ARG 15 2HH2 ARG 15 -1.605 -6.381 -19.866 115 H LEU 16 H LEU 16 3.498 -5.578 -24.680 116 HA LEU 16 HA LEU 16 2.502 -4.332 -27.017 117 HB2 LEU 16 2HB LEU 16 2.057 -7.098 -25.880 118 HB3 LEU 16 1HB LEU 16 1.478 -6.595 -27.454 119 HG LEU 16 HG LEU 16 4.399 -6.653 -26.663 120 HD11 LEU 16 1HD1 LEU 16 2.815 -8.632 -28.302 121 HD12 LEU 16 2HD1 LEU 16 3.453 -8.908 -26.681 122 HD13 LEU 16 3HD1 LEU 16 4.558 -8.661 -28.034 123 HD21 LEU 16 3HD2 LEU 16 4.795 -6.433 -29.061 124 HD22 LEU 16 1HD2 LEU 16 3.863 -5.066 -28.450 125 HD23 LEU 16 2HD2 LEU 16 3.059 -6.351 -29.348 126 H TRP 17 H TRP 17 0.894 -2.884 -26.783 127 HA TRP 17 HA TRP 17 -1.665 -3.841 -25.749 128 HB2 TRP 17 2HB TRP 17 -0.566 -2.701 -23.849 129 HB3 TRP 17 1HB TRP 17 -0.378 -1.259 -24.837 130 HD1 TRP 17 HD TRP 17 -3.318 -3.462 -23.547 131 HE1 TRP 17 1HE TRP 17 -5.307 -1.901 -23.034 132 HE3 TRP 17 3HE TRP 17 -1.232 0.988 -24.981 133 HZ2 TRP 17 2HZ TRP 17 -5.894 0.864 -23.218 134 HZ3 TRP 17 3HZ TRP 17 -2.574 3.045 -24.774 135 HH2 TRP 17 HH TRP 17 -4.854 2.977 -23.910 136 H ALA 18 H ALA 18 0.185 -1.661 -27.717 137 HA ALA 18 HA ALA 18 -1.956 0.018 -28.555 138 HB1 ALA 18 3HB ALA 18 0.400 0.730 -28.615 139 HB2 ALA 18 1HB ALA 18 -0.389 0.904 -30.183 140 HB3 ALA 18 2HB ALA 18 0.709 -0.444 -29.891 141 H LEU 19 H LEU 19 -0.138 -2.516 -30.252 142 HA LEU 19 HA LEU 19 -2.298 -2.727 -32.212 143 HB2 LEU 19 2HB LEU 19 0.492 -3.873 -32.145 144 HB3 LEU 19 1HB LEU 19 -0.677 -4.223 -33.405 145 HG LEU 19 HG LEU 19 0.448 -1.494 -32.770 146 HD11 LEU 19 1HD1 LEU 19 2.115 -2.942 -33.782 147 HD12 LEU 19 2HD1 LEU 19 1.577 -1.722 -34.937 148 HD13 LEU 19 3HD1 LEU 19 0.981 -3.376 -35.064 149 HD21 LEU 19 3HD2 LEU 19 -1.409 -2.402 -34.970 150 HD22 LEU 19 1HD2 LEU 19 -0.679 -0.799 -34.842 151 HD23 LEU 19 2HD2 LEU 19 -1.826 -1.349 -33.619 152 H SER 20 H SER 20 -2.441 -3.695 -29.418 153 HA SER 20 HA SER 20 -2.683 -6.578 -29.886 154 HB2 SER 20 2HB SER 20 -2.455 -5.046 -27.293 155 HB3 SER 20 1HB SER 20 -2.604 -6.801 -27.427 156 HG SER 20 HG SER 20 -0.647 -5.911 -29.035 157 H LEU 21 H LEU 21 -4.591 -7.663 -29.100 158 HA LEU 21 HA LEU 21 -6.923 -5.931 -29.376 159 HB2 LEU 21 2HB LEU 21 -6.693 -8.938 -29.466 160 HB3 LEU 21 1HB LEU 21 -8.177 -8.036 -29.703 161 HG LEU 21 HG LEU 21 -5.745 -7.865 -31.486 162 HD11 LEU 21 1HD1 LEU 21 -7.131 -9.055 -33.128 163 HD12 LEU 21 2HD1 LEU 21 -8.391 -9.254 -31.908 164 HD13 LEU 21 3HD1 LEU 21 -6.822 -10.030 -31.695 165 HD21 LEU 21 3HD2 LEU 21 -7.190 -6.587 -32.973 166 HD22 LEU 21 1HD2 LEU 21 -7.032 -5.794 -31.406 167 HD23 LEU 21 2HD2 LEU 21 -8.501 -6.683 -31.799 168 H ALA 22 H ALA 22 -6.738 -8.979 -27.574 169 HA ALA 22 HA ALA 22 -7.527 -7.478 -25.167 170 HB1 ALA 22 3HB ALA 22 -8.676 -10.120 -26.067 171 HB2 ALA 22 1HB ALA 22 -9.500 -8.562 -26.117 172 HB3 ALA 22 2HB ALA 22 -9.068 -9.282 -24.566 173 H HIS 23 H HIS 23 -6.107 -10.435 -26.466 174 HA HIS 23 HA HIS 23 -4.264 -10.472 -24.240 175 HB2 HIS 23 2HB HIS 23 -4.656 -12.792 -23.640 176 HB3 HIS 23 1HB HIS 23 -6.146 -11.880 -23.466 177 HD1 HIS 23 1HD HIS 23 -5.031 -15.022 -24.622 178 HD2 HIS 23 2HD HIS 23 -7.755 -12.213 -26.051 179 HE1 HIS 23 1HE HIS 23 -6.569 -16.287 -26.162 180 HE2 HIS 23 2HE HIS 23 -8.308 -14.605 -26.886 181 H ALA 24 H ALA 24 -2.400 -11.697 -24.620 182 HA ALA 24 HA ALA 24 -1.845 -12.013 -27.478 183 HB1 ALA 24 3HB ALA 24 0.047 -11.807 -25.133 184 HB2 ALA 24 1HB ALA 24 -0.362 -10.512 -26.255 185 HB3 ALA 24 2HB ALA 24 0.520 -11.925 -26.826 186 H GLN 25 H GLN 25 -1.858 -13.687 -24.420 187 HA GLN 25 HA GLN 25 -1.131 -16.201 -25.744 188 HB2 GLN 25 2HB GLN 25 0.048 -15.676 -23.656 189 HB3 GLN 25 1HB GLN 25 -1.489 -15.520 -22.819 190 HG2 GLN 25 2HG GLN 25 -1.938 -17.912 -23.336 191 HG3 GLN 25 1HG GLN 25 -0.314 -18.021 -24.006 192 HE21 GLN 25 1HE2 GLN 25 -0.996 -16.031 -21.255 193 HE22 GLN 25 2HE2 GLN 25 -0.178 -17.011 -20.081 Start of MODEL 11 1 H1 GLU 1 1HT GLU 1 6.726 8.553 -19.155 2 H2 GLU 1 2HT GLU 1 5.173 8.154 -19.702 3 H3 GLU 1 3HT GLU 1 5.466 9.683 -19.023 4 HA GLU 1 HA GLU 1 6.565 8.636 -21.564 5 HB2 GLU 1 2HB GLU 1 4.239 9.268 -21.760 6 HB3 GLU 1 1HB GLU 1 4.539 10.792 -20.937 7 HG2 GLU 1 2HG GLU 1 4.297 11.099 -23.327 8 HG3 GLU 1 1HG GLU 1 5.913 11.542 -22.783 9 H PHE 2 H PHE 2 8.238 9.701 -22.424 10 HA PHE 2 HA PHE 2 9.322 11.964 -20.891 11 HB2 PHE 2 2HB PHE 2 10.573 9.768 -20.769 12 HB3 PHE 2 1HB PHE 2 10.900 9.941 -22.488 13 HD1 PHE 2 2HD PHE 2 11.397 11.642 -19.218 14 HD2 PHE 2 1HD PHE 2 12.697 11.167 -23.239 15 HE1 PHE 2 2HE PHE 2 13.390 13.006 -18.733 16 HE2 PHE 2 1HE PHE 2 14.689 12.524 -22.763 17 HZ PHE 2 HZ PHE 2 15.034 13.449 -20.511 18 H CYS 3 H CYS 3 8.631 10.650 -24.086 19 HA CYS 3 HA CYS 3 9.804 13.074 -25.270 20 HB2 CYS 3 2HB CYS 3 9.216 10.563 -26.797 21 HB3 CYS 3 1HB CYS 3 10.306 11.875 -27.228 22 H LEU 4 H LEU 4 6.959 12.197 -24.284 23 HA LEU 4 HA LEU 4 4.783 12.567 -24.832 24 HB2 LEU 4 2HB LEU 4 5.958 14.367 -26.957 25 HB3 LEU 4 1HB LEU 4 4.281 14.359 -26.446 26 HG LEU 4 HG LEU 4 6.631 15.101 -24.698 27 HD11 LEU 4 1HD1 LEU 4 4.523 16.818 -25.990 28 HD12 LEU 4 2HD1 LEU 4 6.225 16.747 -26.441 29 HD13 LEU 4 3HD1 LEU 4 5.755 17.376 -24.860 30 HD21 LEU 4 3HD2 LEU 4 4.914 15.844 -23.112 31 HD22 LEU 4 1HD2 LEU 4 4.806 14.112 -23.422 32 HD23 LEU 4 2HD2 LEU 4 3.660 15.216 -24.182 33 H ASN 5 H ASN 5 6.217 10.346 -26.018 34 HA ASN 5 HA ASN 5 4.422 9.311 -27.826 35 HB2 ASN 5 2HB ASN 5 5.170 11.096 -29.378 36 HB3 ASN 5 1HB ASN 5 6.814 10.462 -29.285 37 HD21 ASN 5 1HD2 ASN 5 7.249 8.373 -30.133 38 HD22 ASN 5 2HD2 ASN 5 6.222 7.707 -31.369 39 H CYS 6 H CYS 6 7.928 9.546 -27.333 40 HA CYS 6 HA CYS 6 8.530 7.026 -28.431 41 HB2 CYS 6 2HB CYS 6 10.739 7.377 -27.758 42 HB3 CYS 6 1HB CYS 6 10.121 9.017 -27.927 43 H VAL 7 H VAL 7 7.194 7.877 -25.415 44 HA VAL 7 HA VAL 7 7.971 5.279 -24.335 45 HB VAL 7 HB VAL 7 7.281 7.871 -22.956 46 HG11 VAL 7 1HG1 VAL 7 6.060 6.053 -21.817 47 HG12 VAL 7 2HG1 VAL 7 7.369 6.677 -20.812 48 HG13 VAL 7 3HG1 VAL 7 7.561 5.142 -21.662 49 HG21 VAL 7 3HG2 VAL 7 9.665 6.019 -22.787 50 HG22 VAL 7 1HG2 VAL 7 9.447 7.510 -21.868 51 HG23 VAL 7 2HG2 VAL 7 9.600 7.572 -23.622 52 H SER 8 H SER 8 5.200 7.547 -24.356 53 HA SER 8 HA SER 8 3.456 5.485 -23.419 54 HB2 SER 8 2HB SER 8 3.212 7.886 -22.762 55 HB3 SER 8 1HB SER 8 2.699 8.234 -24.413 56 HG SER 8 HG SER 8 0.803 7.371 -24.027 57 H HIS 9 H HIS 9 3.827 7.255 -26.491 58 HA HIS 9 HA HIS 9 1.677 5.807 -27.741 59 HB2 HIS 9 2HB HIS 9 3.828 7.543 -28.977 60 HB3 HIS 9 1HB HIS 9 2.457 6.866 -29.847 61 HD1 HIS 9 1HD HIS 9 2.883 9.896 -29.712 62 HD2 HIS 9 2HD HIS 9 0.490 7.754 -27.078 63 HE1 HIS 9 1HE HIS 9 1.236 11.559 -28.786 64 HE2 HIS 9 2HE HIS 9 -0.033 10.286 -27.016 65 H THR 10 H THR 10 4.805 5.065 -26.944 66 HA THR 10 HA THR 10 4.947 2.960 -28.995 67 HB THR 10 HB THR 10 7.350 4.019 -27.541 68 HG1 THR 10 1HG THR 10 6.244 5.769 -28.663 69 HG21 THR 10 3HG2 THR 10 7.011 2.715 -30.249 70 HG22 THR 10 1HG2 THR 10 7.571 1.908 -28.782 71 HG23 THR 10 2HG2 THR 10 8.542 3.186 -29.509 72 H ALA 11 H ALA 11 3.757 3.151 -26.214 73 HA ALA 11 HA ALA 11 5.220 1.487 -24.461 74 HB1 ALA 11 3HB ALA 11 3.302 2.875 -23.770 75 HB2 ALA 11 1HB ALA 11 3.126 1.193 -23.261 76 HB3 ALA 11 2HB ALA 11 2.223 1.796 -24.650 77 H SER 12 H SER 12 3.773 0.843 -27.397 78 HA SER 12 HA SER 12 2.910 -1.790 -27.247 79 HB2 SER 12 2HB SER 12 3.048 -0.027 -29.237 80 HB3 SER 12 1HB SER 12 4.553 -0.875 -29.576 81 HG SER 12 HG SER 12 1.925 -1.764 -29.804 82 H TYR 13 H TYR 13 6.135 -0.434 -27.695 83 HA TYR 13 HA TYR 13 7.496 -2.887 -28.070 84 HB2 TYR 13 2HB TYR 13 8.240 -0.574 -28.764 85 HB3 TYR 13 1HB TYR 13 8.632 -0.264 -27.082 86 HD1 TYR 13 2HD TYR 13 9.444 -2.510 -29.938 87 HD2 TYR 13 1HD TYR 13 10.727 -0.848 -26.237 88 HE1 TYR 13 2HE TYR 13 11.697 -3.431 -30.305 89 HE2 TYR 13 1HE TYR 13 12.977 -1.760 -26.604 90 HH TYR 13 HH TYR 13 14.025 -2.935 -29.591 91 H LEU 14 H LEU 14 6.137 -1.476 -25.334 92 HA LEU 14 HA LEU 14 8.017 -2.826 -23.527 93 HB2 LEU 14 2HB LEU 14 5.862 -0.816 -22.891 94 HB3 LEU 14 1HB LEU 14 7.006 -1.489 -21.745 95 HG LEU 14 HG LEU 14 7.764 0.216 -24.119 96 HD11 LEU 14 1HD1 LEU 14 6.493 1.506 -22.499 97 HD12 LEU 14 2HD1 LEU 14 8.195 1.968 -22.465 98 HD13 LEU 14 3HD1 LEU 14 7.538 0.929 -21.201 99 HD21 LEU 14 3HD2 LEU 14 9.943 0.345 -23.007 100 HD22 LEU 14 1HD2 LEU 14 9.528 -1.313 -23.440 101 HD23 LEU 14 2HD2 LEU 14 9.373 -0.775 -21.768 102 H ARG 15 H ARG 15 4.603 -2.704 -24.420 103 HA ARG 15 HA ARG 15 4.056 -4.718 -22.356 104 HB2 ARG 15 2HB ARG 15 2.198 -2.868 -23.850 105 HB3 ARG 15 1HB ARG 15 1.654 -4.108 -22.723 106 HG2 ARG 15 2HG ARG 15 2.943 -3.047 -20.937 107 HG3 ARG 15 1HG ARG 15 3.472 -1.801 -22.066 108 HD2 ARG 15 2HD ARG 15 1.206 -1.021 -22.336 109 HD3 ARG 15 1HD ARG 15 0.596 -2.342 -21.334 110 HE ARG 15 HE ARG 15 2.310 -1.158 -19.653 111 HH11 ARG 15 1HH1 ARG 15 -0.117 0.217 -21.772 112 HH12 ARG 15 2HH1 ARG 15 -0.444 1.576 -20.725 113 HH21 ARG 15 1HH2 ARG 15 1.870 0.608 -18.259 114 HH22 ARG 15 2HH2 ARG 15 0.655 1.783 -18.709 115 H LEU 16 H LEU 16 3.448 -4.058 -25.785 116 HA LEU 16 HA LEU 16 2.180 -6.570 -26.257 117 HB2 LEU 16 2HB LEU 16 3.306 -4.454 -28.084 118 HB3 LEU 16 1HB LEU 16 2.633 -5.951 -28.702 119 HG LEU 16 HG LEU 16 0.954 -4.264 -28.877 120 HD11 LEU 16 1HD1 LEU 16 0.379 -6.047 -26.520 121 HD12 LEU 16 2HD1 LEU 16 0.138 -6.440 -28.222 122 HD13 LEU 16 3HD1 LEU 16 -0.830 -5.175 -27.464 123 HD21 LEU 16 3HD2 LEU 16 1.860 -2.677 -27.257 124 HD22 LEU 16 1HD2 LEU 16 1.355 -3.729 -25.937 125 HD23 LEU 16 2HD2 LEU 16 0.144 -2.974 -26.973 126 H TRP 17 H TRP 17 5.427 -5.479 -26.116 127 HA TRP 17 HA TRP 17 6.660 -7.485 -27.693 128 HB2 TRP 17 2HB TRP 17 7.767 -5.366 -27.083 129 HB3 TRP 17 1HB TRP 17 7.789 -5.866 -25.398 130 HD1 TRP 17 HD TRP 17 9.307 -6.953 -28.807 131 HE1 TRP 17 1HE TRP 17 11.598 -8.058 -28.339 132 HE3 TRP 17 3HE TRP 17 9.213 -6.883 -23.686 133 HZ2 TRP 17 2HZ TRP 17 13.130 -8.797 -26.095 134 HZ3 TRP 17 3HZ TRP 17 11.137 -7.810 -22.457 135 HH2 TRP 17 HH TRP 17 13.053 -8.749 -23.645 136 H ALA 18 H ALA 18 5.291 -7.489 -24.554 137 HA ALA 18 HA ALA 18 6.874 -9.272 -23.160 138 HB1 ALA 18 3HB ALA 18 5.087 -8.024 -22.099 139 HB2 ALA 18 1HB ALA 18 4.901 -9.748 -21.793 140 HB3 ALA 18 2HB ALA 18 3.881 -8.952 -22.992 141 H LEU 19 H LEU 19 4.342 -9.933 -25.512 142 HA LEU 19 HA LEU 19 5.307 -12.698 -25.629 143 HB2 LEU 19 2HB LEU 19 3.143 -12.499 -24.325 144 HB3 LEU 19 1HB LEU 19 2.382 -11.947 -25.801 145 HG LEU 19 HG LEU 19 2.887 -14.106 -26.871 146 HD11 LEU 19 1HD1 LEU 19 3.736 -15.972 -25.574 147 HD12 LEU 19 2HD1 LEU 19 3.936 -14.934 -24.162 148 HD13 LEU 19 3HD1 LEU 19 4.919 -14.662 -25.602 149 HD21 LEU 19 3HD2 LEU 19 1.296 -15.446 -25.597 150 HD22 LEU 19 1HD2 LEU 19 0.752 -13.776 -25.748 151 HD23 LEU 19 2HD2 LEU 19 1.448 -14.343 -24.228 152 H SER 20 H SER 20 6.085 -10.531 -27.223 153 HA SER 20 HA SER 20 4.552 -10.584 -29.668 154 HB2 SER 20 2HB SER 20 5.707 -8.518 -28.782 155 HB3 SER 20 1HB SER 20 7.241 -9.291 -29.163 156 HG SER 20 HG SER 20 5.848 -7.818 -30.762 157 H LEU 21 H LEU 21 6.449 -10.501 -31.605 158 HA LEU 21 HA LEU 21 7.132 -13.283 -31.878 159 HB2 LEU 21 2HB LEU 21 7.518 -10.913 -33.709 160 HB3 LEU 21 1HB LEU 21 7.962 -12.549 -34.135 161 HG LEU 21 HG LEU 21 5.498 -13.145 -33.721 162 HD11 LEU 21 1HD1 LEU 21 5.254 -10.153 -33.990 163 HD12 LEU 21 2HD1 LEU 21 4.814 -11.120 -32.582 164 HD13 LEU 21 3HD1 LEU 21 3.921 -11.300 -34.094 165 HD21 LEU 21 3HD2 LEU 21 6.511 -13.129 -35.917 166 HD22 LEU 21 1HD2 LEU 21 6.296 -11.379 -36.033 167 HD23 LEU 21 2HD2 LEU 21 4.890 -12.442 -35.986 168 H ALA 22 H ALA 22 9.145 -14.173 -31.930 169 HA ALA 22 HA ALA 22 11.293 -12.487 -30.861 170 HB1 ALA 22 3HB ALA 22 10.976 -15.490 -30.825 171 HB2 ALA 22 1HB ALA 22 10.632 -14.394 -29.488 172 HB3 ALA 22 2HB ALA 22 12.286 -14.578 -30.072 173 H HIS 23 H HIS 23 10.263 -13.404 -33.737 174 HA HIS 23 HA HIS 23 12.933 -13.499 -34.868 175 HB2 HIS 23 2HB HIS 23 12.400 -15.336 -36.382 176 HB3 HIS 23 1HB HIS 23 12.251 -15.856 -34.710 177 HD1 HIS 23 1HD HIS 23 10.520 -16.045 -37.857 178 HD2 HIS 23 2HD HIS 23 9.387 -15.792 -33.856 179 HE1 HIS 23 1HE HIS 23 8.144 -16.849 -37.762 180 HE2 HIS 23 2HE HIS 23 7.411 -16.492 -35.377 181 H ALA 24 H ALA 24 13.155 -12.376 -36.710 182 HA ALA 24 HA ALA 24 10.816 -10.994 -37.765 183 HB1 ALA 24 3HB ALA 24 12.877 -9.727 -37.433 184 HB2 ALA 24 1HB ALA 24 12.440 -9.764 -39.141 185 HB3 ALA 24 2HB ALA 24 13.730 -10.806 -38.536 186 H GLN 25 H GLN 25 12.993 -13.562 -38.536 187 HA GLN 25 HA GLN 25 11.456 -14.142 -40.971 188 HB2 GLN 25 2HB GLN 25 13.770 -13.648 -41.513 189 HB3 GLN 25 1HB GLN 25 14.330 -14.772 -40.279 190 HG2 GLN 25 2HG GLN 25 13.417 -16.641 -41.550 191 HG3 GLN 25 1HG GLN 25 12.770 -15.531 -42.752 192 HE21 GLN 25 1HE2 GLN 25 14.140 -14.487 -44.156 193 HE22 GLN 25 2HE2 GLN 25 15.764 -15.023 -44.444 Start of MODEL 12 1 H1 GLU 1 1HT GLU 1 5.912 6.031 -17.075 2 H2 GLU 1 2HT GLU 1 6.913 7.050 -16.162 3 H3 GLU 1 3HT GLU 1 7.382 5.448 -16.453 4 HA GLU 1 HA GLU 1 7.637 5.875 -18.791 5 HB2 GLU 1 2HB GLU 1 5.867 7.544 -19.025 6 HB3 GLU 1 1HB GLU 1 6.788 8.688 -18.058 7 HG2 GLU 1 2HG GLU 1 6.880 9.120 -20.490 8 HG3 GLU 1 1HG GLU 1 8.458 8.878 -19.746 9 H PHE 2 H PHE 2 9.722 5.794 -19.112 10 HA PHE 2 HA PHE 2 11.496 7.330 -17.343 11 HB2 PHE 2 2HB PHE 2 11.651 4.875 -17.177 12 HB3 PHE 2 1HB PHE 2 12.024 4.784 -18.890 13 HD1 PHE 2 2HD PHE 2 13.256 6.105 -15.672 14 HD2 PHE 2 1HD PHE 2 14.231 4.989 -19.658 15 HE1 PHE 2 2HE PHE 2 15.646 6.341 -15.146 16 HE2 PHE 2 1HE PHE 2 16.627 5.220 -19.143 17 HZ PHE 2 HZ PHE 2 17.348 5.889 -16.944 18 H CYS 3 H CYS 3 10.562 6.800 -20.650 19 HA CYS 3 HA CYS 3 12.988 8.191 -21.574 20 HB2 CYS 3 2HB CYS 3 12.595 5.856 -22.415 21 HB3 CYS 3 1HB CYS 3 11.149 6.451 -23.219 22 H LEU 4 H LEU 4 10.027 8.925 -20.718 23 HA LEU 4 HA LEU 4 8.577 10.625 -21.127 24 HB2 LEU 4 2HB LEU 4 11.004 11.631 -22.584 25 HB3 LEU 4 1HB LEU 4 9.514 12.554 -22.544 26 HG LEU 4 HG LEU 4 9.647 12.539 -20.046 27 HD11 LEU 4 1HD1 LEU 4 12.398 11.410 -20.533 28 HD12 LEU 4 2HD1 LEU 4 11.054 10.585 -19.743 29 HD13 LEU 4 3HD1 LEU 4 11.784 12.002 -18.989 30 HD21 LEU 4 3HD2 LEU 4 11.968 13.768 -21.524 31 HD22 LEU 4 1HD2 LEU 4 11.415 14.237 -19.917 32 HD23 LEU 4 2HD2 LEU 4 10.366 14.474 -21.314 33 H ASN 5 H ASN 5 8.487 8.293 -22.838 34 HA ASN 5 HA ASN 5 6.709 8.803 -24.806 35 HB2 ASN 5 2HB ASN 5 8.273 10.355 -25.883 36 HB3 ASN 5 1HB ASN 5 9.506 9.104 -25.936 37 HD21 ASN 5 1HD2 ASN 5 9.229 7.337 -27.330 38 HD22 ASN 5 2HD2 ASN 5 8.166 7.413 -28.696 39 H CYS 6 H CYS 6 9.832 7.178 -24.403 40 HA CYS 6 HA CYS 6 9.251 5.210 -26.363 41 HB2 CYS 6 2HB CYS 6 11.391 4.991 -24.259 42 HB3 CYS 6 1HB CYS 6 11.386 4.308 -25.880 43 H VAL 7 H VAL 7 8.237 5.509 -23.193 44 HA VAL 7 HA VAL 7 7.864 2.610 -22.975 45 HB VAL 7 HB VAL 7 8.062 4.684 -20.786 46 HG11 VAL 7 1HG1 VAL 7 7.453 1.732 -20.554 47 HG12 VAL 7 2HG1 VAL 7 6.335 3.055 -20.222 48 HG13 VAL 7 3HG1 VAL 7 7.758 2.827 -19.205 49 HG21 VAL 7 3HG2 VAL 7 10.203 3.985 -21.714 50 HG22 VAL 7 1HG2 VAL 7 9.782 2.292 -21.442 51 HG23 VAL 7 2HG2 VAL 7 10.001 3.378 -20.071 52 H SER 8 H SER 8 6.306 5.734 -22.265 53 HA SER 8 HA SER 8 3.788 4.391 -21.890 54 HB2 SER 8 2HB SER 8 4.539 7.291 -21.606 55 HB3 SER 8 1HB SER 8 2.970 6.603 -21.180 56 HG SER 8 HG SER 8 4.580 5.070 -19.947 57 H HIS 9 H HIS 9 5.211 6.701 -24.161 58 HA HIS 9 HA HIS 9 2.718 7.070 -25.568 59 HB2 HIS 9 2HB HIS 9 4.383 8.897 -25.324 60 HB3 HIS 9 1HB HIS 9 5.500 7.982 -26.330 61 HD1 HIS 9 1HD HIS 9 2.572 10.235 -26.465 62 HD2 HIS 9 2HD HIS 9 4.753 7.846 -29.084 63 HE1 HIS 9 1HE HIS 9 1.902 10.965 -28.778 64 HE2 HIS 9 2HE HIS 9 3.382 9.648 -30.337 65 H THR 10 H THR 10 5.663 5.211 -26.003 66 HA THR 10 HA THR 10 4.957 4.340 -28.663 67 HB THR 10 HB THR 10 7.053 3.179 -26.809 68 HG1 THR 10 1HG THR 10 7.346 5.272 -28.732 69 HG21 THR 10 3HG2 THR 10 8.158 2.529 -28.911 70 HG22 THR 10 1HG2 THR 10 6.788 3.165 -29.817 71 HG23 THR 10 2HG2 THR 10 6.570 1.783 -28.744 72 H ALA 11 H ALA 11 5.139 3.009 -25.421 73 HA ALA 11 HA ALA 11 4.047 1.369 -24.319 74 HB1 ALA 11 3HB ALA 11 2.065 2.557 -25.207 75 HB2 ALA 11 1HB ALA 11 1.789 0.839 -24.922 76 HB3 ALA 11 2HB ALA 11 2.042 1.431 -26.564 77 H SER 12 H SER 12 3.628 0.511 -27.725 78 HA SER 12 HA SER 12 3.301 -2.198 -27.465 79 HB2 SER 12 2HB SER 12 3.161 -0.546 -29.489 80 HB3 SER 12 1HB SER 12 4.805 -1.096 -29.795 81 HG SER 12 HG SER 12 2.394 -2.546 -29.845 82 H TYR 13 H TYR 13 6.358 -0.472 -27.878 83 HA TYR 13 HA TYR 13 8.081 -2.592 -28.268 84 HB2 TYR 13 2HB TYR 13 8.775 -0.287 -28.511 85 HB3 TYR 13 1HB TYR 13 8.541 0.002 -26.793 86 HD1 TYR 13 2HD TYR 13 10.637 -1.765 -29.273 87 HD2 TYR 13 1HD TYR 13 10.228 -0.545 -25.219 88 HE1 TYR 13 2HE TYR 13 12.973 -2.401 -28.852 89 HE2 TYR 13 1HE TYR 13 12.558 -1.170 -24.786 90 HH TYR 13 HH TYR 13 14.794 -1.715 -27.172 91 H LEU 14 H LEU 14 6.713 -1.429 -25.239 92 HA LEU 14 HA LEU 14 8.324 -3.392 -23.753 93 HB2 LEU 14 2HB LEU 14 8.441 -1.071 -22.961 94 HB3 LEU 14 1HB LEU 14 6.700 -1.054 -22.744 95 HG LEU 14 HG LEU 14 6.931 -2.823 -21.029 96 HD11 LEU 14 1HD1 LEU 14 8.974 -3.862 -21.786 97 HD12 LEU 14 2HD1 LEU 14 9.160 -3.311 -20.121 98 HD13 LEU 14 3HD1 LEU 14 9.879 -2.389 -21.439 99 HD21 LEU 14 3HD2 LEU 14 7.947 -1.387 -19.290 100 HD22 LEU 14 1HD2 LEU 14 6.792 -0.529 -20.311 101 HD23 LEU 14 2HD2 LEU 14 8.523 -0.311 -20.565 102 H ARG 15 H ARG 15 5.014 -2.279 -24.245 103 HA ARG 15 HA ARG 15 4.026 -4.686 -22.877 104 HB2 ARG 15 2HB ARG 15 2.778 -1.985 -23.341 105 HB3 ARG 15 1HB ARG 15 1.840 -3.377 -22.823 106 HG2 ARG 15 2HG ARG 15 3.093 -3.535 -20.780 107 HG3 ARG 15 1HG ARG 15 4.204 -2.271 -21.318 108 HD2 ARG 15 2HD ARG 15 1.249 -1.779 -21.045 109 HD3 ARG 15 1HD ARG 15 2.351 -1.611 -19.677 110 HE ARG 15 HE ARG 15 3.555 0.071 -21.071 111 HH11 ARG 15 1HH1 ARG 15 0.186 -0.641 -21.741 112 HH12 ARG 15 2HH1 ARG 15 -0.149 0.969 -22.338 113 HH21 ARG 15 1HH2 ARG 15 3.112 2.167 -21.854 114 HH22 ARG 15 2HH2 ARG 15 1.509 2.542 -22.427 115 H LEU 16 H LEU 16 2.876 -6.157 -23.998 116 HA LEU 16 HA LEU 16 3.102 -6.066 -26.841 117 HB2 LEU 16 2HB LEU 16 1.692 -8.059 -25.067 118 HB3 LEU 16 1HB LEU 16 2.043 -8.286 -26.773 119 HG LEU 16 HG LEU 16 4.078 -8.007 -24.561 120 HD11 LEU 16 1HD1 LEU 16 4.625 -10.342 -25.171 121 HD12 LEU 16 2HD1 LEU 16 3.212 -10.361 -26.228 122 HD13 LEU 16 3HD1 LEU 16 3.011 -10.153 -24.487 123 HD21 LEU 16 3HD2 LEU 16 4.471 -8.466 -27.515 124 HD22 LEU 16 1HD2 LEU 16 5.738 -8.481 -26.288 125 HD23 LEU 16 2HD2 LEU 16 4.863 -6.989 -26.632 126 H TRP 17 H TRP 17 1.849 -4.267 -27.422 127 HA TRP 17 HA TRP 17 -0.974 -4.915 -27.756 128 HB2 TRP 17 2HB TRP 17 -0.881 -3.502 -25.744 129 HB3 TRP 17 1HB TRP 17 -0.029 -2.257 -26.651 130 HD1 TRP 17 HD TRP 17 -1.460 -0.693 -28.230 131 HE1 TRP 17 1HE TRP 17 -3.993 -0.346 -28.565 132 HE3 TRP 17 3HE TRP 17 -3.169 -4.805 -25.715 133 HZ2 TRP 17 2HZ TRP 17 -6.392 -1.652 -27.846 134 HZ3 TRP 17 3HZ TRP 17 -5.600 -5.183 -25.588 135 HH2 TRP 17 HH TRP 17 -7.174 -3.637 -26.635 136 H ALA 18 H ALA 18 -0.940 -5.133 -29.875 137 HA ALA 18 HA ALA 18 -0.865 -2.765 -31.487 138 HB1 ALA 18 3HB ALA 18 1.530 -3.314 -31.454 139 HB2 ALA 18 1HB ALA 18 0.835 -3.498 -33.065 140 HB3 ALA 18 2HB ALA 18 1.159 -4.923 -32.075 141 H LEU 19 H LEU 19 -0.329 -6.231 -32.104 142 HA LEU 19 HA LEU 19 -2.744 -6.283 -33.777 143 HB2 LEU 19 2HB LEU 19 -0.544 -8.318 -33.388 144 HB3 LEU 19 1HB LEU 19 -1.901 -8.513 -34.482 145 HG LEU 19 HG LEU 19 0.257 -6.407 -34.713 146 HD11 LEU 19 1HD1 LEU 19 -0.271 -8.865 -36.369 147 HD12 LEU 19 2HD1 LEU 19 1.057 -8.658 -35.224 148 HD13 LEU 19 3HD1 LEU 19 0.971 -7.653 -36.671 149 HD21 LEU 19 3HD2 LEU 19 -0.751 -5.957 -36.911 150 HD22 LEU 19 1HD2 LEU 19 -1.850 -5.586 -35.582 151 HD23 LEU 19 2HD2 LEU 19 -2.066 -7.064 -36.519 152 H SER 20 H SER 20 -2.558 -6.220 -30.786 153 HA SER 20 HA SER 20 -3.301 -8.748 -29.749 154 HB2 SER 20 2HB SER 20 -3.793 -6.019 -28.547 155 HB3 SER 20 1HB SER 20 -3.637 -7.554 -27.686 156 HG SER 20 HG SER 20 -1.630 -6.834 -27.520 157 H LEU 21 H LEU 21 -5.089 -9.666 -30.565 158 HA LEU 21 HA LEU 21 -7.448 -8.353 -31.345 159 HB2 LEU 21 2HB LEU 21 -7.169 -11.193 -30.363 160 HB3 LEU 21 1HB LEU 21 -8.481 -10.552 -31.331 161 HG LEU 21 HG LEU 21 -5.615 -10.830 -32.242 162 HD11 LEU 21 1HD1 LEU 21 -8.084 -12.397 -32.992 163 HD12 LEU 21 2HD1 LEU 21 -6.759 -12.980 -31.986 164 HD13 LEU 21 3HD1 LEU 21 -6.474 -12.598 -33.682 165 HD21 LEU 21 3HD2 LEU 21 -6.758 -8.929 -33.259 166 HD22 LEU 21 1HD2 LEU 21 -8.088 -9.981 -33.744 167 HD23 LEU 21 2HD2 LEU 21 -6.482 -10.216 -34.432 168 H ALA 22 H ALA 22 -6.462 -9.822 -28.318 169 HA ALA 22 HA ALA 22 -8.202 -8.187 -26.772 170 HB1 ALA 22 3HB ALA 22 -8.854 -11.135 -26.894 171 HB2 ALA 22 1HB ALA 22 -9.871 -9.825 -27.487 172 HB3 ALA 22 2HB ALA 22 -9.550 -9.979 -25.759 173 H HIS 23 H HIS 23 -6.347 -11.172 -26.916 174 HA HIS 23 HA HIS 23 -4.740 -10.243 -24.689 175 HB2 HIS 23 2HB HIS 23 -4.655 -12.504 -23.710 176 HB3 HIS 23 1HB HIS 23 -6.282 -11.844 -23.681 177 HD1 HIS 23 1HD HIS 23 -8.099 -13.084 -24.986 178 HD2 HIS 23 2HD HIS 23 -4.298 -14.708 -25.513 179 HE1 HIS 23 1HE HIS 23 -8.448 -15.295 -26.141 180 HE2 HIS 23 2HE HIS 23 -6.136 -16.218 -26.536 181 H ALA 24 H ALA 24 -2.576 -10.647 -24.941 182 HA ALA 24 HA ALA 24 -1.721 -11.748 -27.469 183 HB1 ALA 24 3HB ALA 24 -0.580 -9.788 -26.529 184 HB2 ALA 24 1HB ALA 24 0.531 -11.136 -26.756 185 HB3 ALA 24 2HB ALA 24 -0.068 -10.752 -25.142 186 H GLN 25 H GLN 25 -1.602 -12.579 -24.062 187 HA GLN 25 HA GLN 25 -0.796 -15.312 -24.755 188 HB2 GLN 25 2HB GLN 25 0.662 -14.187 -23.144 189 HB3 GLN 25 1HB GLN 25 -0.721 -13.823 -22.123 190 HG2 GLN 25 2HG GLN 25 0.361 -15.642 -21.114 191 HG3 GLN 25 1HG GLN 25 -1.053 -16.323 -21.909 192 HE21 GLN 25 1HE2 GLN 25 1.457 -17.583 -21.084 193 HE22 GLN 25 2HE2 GLN 25 2.126 -18.304 -22.523 Start of MODEL 13 1 H1 GLU 1 1HT GLU 1 13.744 4.128 -18.575 2 H2 GLU 1 2HT GLU 1 13.547 2.582 -19.243 3 H3 GLU 1 3HT GLU 1 12.221 3.635 -19.146 4 HA GLU 1 HA GLU 1 13.041 3.524 -21.387 5 HB2 GLU 1 2HB GLU 1 12.090 5.632 -20.703 6 HB3 GLU 1 1HB GLU 1 13.606 6.127 -19.955 7 HG2 GLU 1 2HG GLU 1 13.251 7.237 -22.084 8 HG3 GLU 1 1HG GLU 1 14.667 6.185 -22.140 9 H PHE 2 H PHE 2 14.680 3.093 -22.680 10 HA PHE 2 HA PHE 2 17.394 3.388 -21.606 11 HB2 PHE 2 2HB PHE 2 16.627 1.071 -22.029 12 HB3 PHE 2 1HB PHE 2 16.381 1.478 -23.721 13 HD1 PHE 2 2HD PHE 2 18.932 1.189 -21.082 14 HD2 PHE 2 1HD PHE 2 18.168 1.404 -25.256 15 HE1 PHE 2 2HE PHE 2 21.280 0.602 -21.539 16 HE2 PHE 2 1HE PHE 2 20.514 0.816 -25.723 17 HZ PHE 2 HZ PHE 2 22.073 0.418 -23.863 18 H CYS 3 H CYS 3 15.320 3.931 -24.412 19 HA CYS 3 HA CYS 3 17.622 5.008 -25.862 20 HB2 CYS 3 2HB CYS 3 14.957 4.391 -27.082 21 HB3 CYS 3 1HB CYS 3 16.510 4.551 -27.885 22 H LEU 4 H LEU 4 15.467 6.220 -23.888 23 HA LEU 4 HA LEU 4 14.399 8.196 -23.573 24 HB2 LEU 4 2HB LEU 4 16.084 9.130 -25.897 25 HB3 LEU 4 1HB LEU 4 15.209 10.167 -24.787 26 HG LEU 4 HG LEU 4 17.515 8.361 -24.055 27 HD11 LEU 4 1HD1 LEU 4 17.361 11.366 -24.249 28 HD12 LEU 4 2HD1 LEU 4 18.193 10.305 -25.383 29 HD13 LEU 4 3HD1 LEU 4 18.755 10.427 -23.717 30 HD21 LEU 4 3HD2 LEU 4 15.957 10.335 -22.389 31 HD22 LEU 4 1HD2 LEU 4 17.409 9.473 -21.875 32 HD23 LEU 4 2HD2 LEU 4 15.929 8.579 -22.223 33 H ASN 5 H ASN 5 13.257 6.178 -25.350 34 HA ASN 5 HA ASN 5 11.071 7.440 -26.446 35 HB2 ASN 5 2HB ASN 5 12.620 8.482 -28.058 36 HB3 ASN 5 1HB ASN 5 13.171 6.886 -28.564 37 HD21 ASN 5 1HD2 ASN 5 11.629 5.486 -29.609 38 HD22 ASN 5 2HD2 ASN 5 10.309 6.172 -30.504 39 H CYS 6 H CYS 6 13.381 4.844 -27.250 40 HA CYS 6 HA CYS 6 11.492 3.238 -28.586 41 HB2 CYS 6 2HB CYS 6 13.174 1.649 -28.828 42 HB3 CYS 6 1HB CYS 6 14.098 3.135 -28.637 43 H VAL 7 H VAL 7 11.901 3.839 -25.319 44 HA VAL 7 HA VAL 7 10.549 1.343 -24.631 45 HB VAL 7 HB VAL 7 12.369 3.137 -23.034 46 HG11 VAL 7 1HG1 VAL 7 10.604 0.925 -21.927 47 HG12 VAL 7 2HG1 VAL 7 10.430 2.648 -21.591 48 HG13 VAL 7 3HG1 VAL 7 11.864 1.784 -21.043 49 HG21 VAL 7 3HG2 VAL 7 13.349 1.342 -24.391 50 HG22 VAL 7 1HG2 VAL 7 12.356 0.161 -23.536 51 HG23 VAL 7 2HG2 VAL 7 13.589 1.073 -22.664 52 H SER 8 H SER 8 10.573 4.820 -23.829 53 HA SER 8 HA SER 8 8.076 4.533 -22.447 54 HB2 SER 8 2HB SER 8 9.534 7.100 -23.052 55 HB3 SER 8 1HB SER 8 8.311 6.833 -21.813 56 HG SER 8 HG SER 8 10.952 5.848 -21.920 57 H HIS 9 H HIS 9 9.163 6.093 -25.431 58 HA HIS 9 HA HIS 9 6.531 7.265 -25.843 59 HB2 HIS 9 2HB HIS 9 9.116 7.535 -27.394 60 HB3 HIS 9 1HB HIS 9 7.630 8.408 -27.768 61 HD1 HIS 9 1HD HIS 9 7.220 10.549 -26.514 62 HD2 HIS 9 2HD HIS 9 10.263 8.261 -24.829 63 HE1 HIS 9 1HE HIS 9 8.223 11.969 -24.696 64 HE2 HIS 9 2HE HIS 9 9.876 10.458 -23.531 65 H THR 10 H THR 10 6.645 4.469 -25.969 66 HA THR 10 HA THR 10 5.584 4.141 -28.664 67 HB THR 10 HB THR 10 7.681 3.107 -28.966 68 HG1 THR 10 1HG THR 10 5.809 1.809 -29.583 69 HG21 THR 10 3HG2 THR 10 8.625 1.436 -27.445 70 HG22 THR 10 1HG2 THR 10 7.261 1.656 -26.350 71 HG23 THR 10 2HG2 THR 10 8.387 2.983 -26.632 72 H ALA 11 H ALA 11 5.943 2.689 -25.451 73 HA ALA 11 HA ALA 11 4.534 1.601 -24.066 74 HB1 ALA 11 3HB ALA 11 2.142 1.905 -24.244 75 HB2 ALA 11 1HB ALA 11 2.317 2.518 -25.891 76 HB3 ALA 11 2HB ALA 11 2.966 3.437 -24.535 77 H SER 12 H SER 12 3.495 1.105 -27.422 78 HA SER 12 HA SER 12 2.422 -1.436 -27.208 79 HB2 SER 12 2HB SER 12 2.411 0.134 -29.213 80 HB3 SER 12 1HB SER 12 4.031 -0.449 -29.571 81 HG SER 12 HG SER 12 3.269 -2.424 -30.034 82 H TYR 13 H TYR 13 5.769 -0.516 -27.927 83 HA TYR 13 HA TYR 13 6.779 -3.058 -28.422 84 HB2 TYR 13 2HB TYR 13 8.031 -1.117 -29.060 85 HB3 TYR 13 1HB TYR 13 8.108 -0.554 -27.397 86 HD1 TYR 13 2HD TYR 13 9.298 -3.266 -29.663 87 HD2 TYR 13 1HD TYR 13 9.889 -1.155 -26.018 88 HE1 TYR 13 2HE TYR 13 11.470 -4.390 -29.363 89 HE2 TYR 13 1HE TYR 13 12.048 -2.271 -25.709 90 HH TYR 13 HH TYR 13 13.582 -4.056 -28.182 91 H LEU 14 H LEU 14 6.610 -1.240 -25.385 92 HA LEU 14 HA LEU 14 7.953 -3.308 -23.903 93 HB2 LEU 14 2HB LEU 14 8.119 -0.902 -23.346 94 HB3 LEU 14 1HB LEU 14 6.424 -0.903 -22.909 95 HG LEU 14 HG LEU 14 6.922 -2.530 -21.107 96 HD11 LEU 14 1HD1 LEU 14 9.792 -2.018 -21.883 97 HD12 LEU 14 2HD1 LEU 14 8.921 -3.543 -22.065 98 HD13 LEU 14 3HD1 LEU 14 9.252 -2.902 -20.455 99 HD21 LEU 14 3HD2 LEU 14 8.000 -0.921 -19.623 100 HD22 LEU 14 1HD2 LEU 14 6.806 -0.136 -20.656 101 HD23 LEU 14 2HD2 LEU 14 8.525 0.020 -21.020 102 H ARG 15 H ARG 15 4.640 -2.395 -24.548 103 HA ARG 15 HA ARG 15 3.470 -3.952 -22.466 104 HB2 ARG 15 2HB ARG 15 2.353 -2.019 -23.551 105 HB3 ARG 15 1HB ARG 15 2.241 -2.946 -25.037 106 HG2 ARG 15 2HG ARG 15 0.831 -4.597 -23.881 107 HG3 ARG 15 1HG ARG 15 0.897 -3.596 -22.428 108 HD2 ARG 15 2HD ARG 15 -0.232 -2.784 -25.110 109 HD3 ARG 15 1HD ARG 15 -1.167 -3.215 -23.677 110 HE ARG 15 HE ARG 15 0.629 -1.059 -23.132 111 HH11 ARG 15 1HH1 ARG 15 -2.428 -1.842 -24.679 112 HH12 ARG 15 2HH1 ARG 15 -3.096 -0.252 -24.440 113 HH21 ARG 15 1HH2 ARG 15 -0.236 1.057 -22.881 114 HH22 ARG 15 2HH2 ARG 15 -1.843 1.398 -23.481 115 H LEU 16 H LEU 16 4.274 -4.545 -25.841 116 HA LEU 16 HA LEU 16 2.992 -7.148 -25.752 117 HB2 LEU 16 2HB LEU 16 4.470 -5.754 -27.984 118 HB3 LEU 16 1HB LEU 16 3.645 -7.296 -28.127 119 HG LEU 16 HG LEU 16 2.313 -4.659 -27.492 120 HD11 LEU 16 1HD1 LEU 16 1.329 -4.885 -29.718 121 HD12 LEU 16 2HD1 LEU 16 2.287 -6.340 -29.996 122 HD13 LEU 16 3HD1 LEU 16 3.085 -4.779 -29.799 123 HD21 LEU 16 3HD2 LEU 16 0.221 -5.928 -27.785 124 HD22 LEU 16 1HD2 LEU 16 1.175 -6.521 -26.423 125 HD23 LEU 16 2HD2 LEU 16 1.163 -7.413 -27.944 126 H TRP 17 H TRP 17 6.041 -5.871 -25.082 127 HA TRP 17 HA TRP 17 7.625 -8.090 -25.887 128 HB2 TRP 17 2HB TRP 17 8.441 -5.733 -25.394 129 HB3 TRP 17 1HB TRP 17 8.322 -6.148 -23.688 130 HD1 TRP 17 HD TRP 17 10.112 -7.392 -26.873 131 HE1 TRP 17 1HE TRP 17 12.399 -8.369 -26.208 132 HE3 TRP 17 3HE TRP 17 9.713 -6.949 -21.798 133 HZ2 TRP 17 2HZ TRP 17 13.832 -8.885 -23.834 134 HZ3 TRP 17 3HZ TRP 17 11.593 -7.709 -20.399 135 HH2 TRP 17 HH TRP 17 13.607 -8.655 -21.396 136 H ALA 18 H ALA 18 6.309 -9.788 -25.115 137 HA ALA 18 HA ALA 18 7.035 -10.619 -22.409 138 HB1 ALA 18 3HB ALA 18 4.188 -10.655 -23.421 139 HB2 ALA 18 1HB ALA 18 4.821 -9.593 -22.166 140 HB3 ALA 18 2HB ALA 18 4.745 -11.335 -21.892 141 H LEU 19 H LEU 19 5.053 -11.623 -25.193 142 HA LEU 19 HA LEU 19 6.079 -14.329 -25.026 143 HB2 LEU 19 2HB LEU 19 4.193 -13.037 -26.993 144 HB3 LEU 19 1HB LEU 19 4.579 -14.745 -26.943 145 HG LEU 19 HG LEU 19 3.191 -13.212 -24.745 146 HD11 LEU 19 1HD1 LEU 19 1.781 -13.457 -26.710 147 HD12 LEU 19 2HD1 LEU 19 1.214 -14.509 -25.412 148 HD13 LEU 19 3HD1 LEU 19 2.123 -15.184 -26.763 149 HD21 LEU 19 3HD2 LEU 19 3.724 -16.165 -25.049 150 HD22 LEU 19 1HD2 LEU 19 2.824 -15.392 -23.743 151 HD23 LEU 19 2HD2 LEU 19 4.547 -15.081 -23.930 152 H SER 20 H SER 20 7.368 -11.589 -26.093 153 HA SER 20 HA SER 20 8.276 -12.103 -28.699 154 HB2 SER 20 2HB SER 20 9.644 -10.510 -26.514 155 HB3 SER 20 1HB SER 20 9.884 -10.327 -28.255 156 HG SER 20 HG SER 20 7.711 -9.656 -28.419 157 H LEU 21 H LEU 21 9.649 -12.748 -25.517 158 HA LEU 21 HA LEU 21 11.275 -14.118 -24.758 159 HB2 LEU 21 2HB LEU 21 10.634 -15.678 -27.258 160 HB3 LEU 21 1HB LEU 21 11.506 -16.295 -25.868 161 HG LEU 21 HG LEU 21 8.613 -15.404 -25.865 162 HD11 LEU 21 1HD1 LEU 21 9.824 -18.158 -25.745 163 HD12 LEU 21 2HD1 LEU 21 8.965 -17.467 -27.122 164 HD13 LEU 21 3HD1 LEU 21 8.108 -17.777 -25.611 165 HD21 LEU 21 3HD2 LEU 21 8.538 -16.388 -23.626 166 HD22 LEU 21 1HD2 LEU 21 9.686 -15.049 -23.698 167 HD23 LEU 21 2HD2 LEU 21 10.268 -16.714 -23.713 168 H ALA 22 H ALA 22 12.126 -15.051 -28.026 169 HA ALA 22 HA ALA 22 14.568 -13.416 -27.825 170 HB1 ALA 22 3HB ALA 22 15.863 -15.240 -28.797 171 HB2 ALA 22 1HB ALA 22 14.422 -16.259 -28.827 172 HB3 ALA 22 2HB ALA 22 15.106 -15.743 -27.286 173 H HIS 23 H HIS 23 12.269 -15.078 -29.890 174 HA HIS 23 HA HIS 23 12.454 -12.964 -31.811 175 HB2 HIS 23 2HB HIS 23 12.827 -14.508 -33.751 176 HB3 HIS 23 1HB HIS 23 14.228 -14.235 -32.731 177 HD1 HIS 23 1HD HIS 23 12.319 -16.895 -34.287 178 HD2 HIS 23 2HD HIS 23 14.704 -16.507 -30.893 179 HE1 HIS 23 1HE HIS 23 12.946 -19.233 -33.617 180 HE2 HIS 23 2HE HIS 23 14.453 -18.980 -31.613 181 H ALA 24 H ALA 24 11.017 -15.901 -30.643 182 HA ALA 24 HA ALA 24 8.834 -16.449 -30.344 183 HB1 ALA 24 3HB ALA 24 8.151 -13.868 -31.748 184 HB2 ALA 24 1HB ALA 24 8.364 -14.064 -30.010 185 HB3 ALA 24 2HB ALA 24 7.041 -14.890 -30.835 186 H GLN 25 H GLN 25 10.090 -15.675 -33.413 187 HA GLN 25 HA GLN 25 8.229 -17.572 -34.668 188 HB2 GLN 25 2HB GLN 25 7.916 -15.286 -35.500 189 HB3 GLN 25 1HB GLN 25 9.629 -15.183 -35.873 190 HG2 GLN 25 2HG GLN 25 9.308 -17.065 -37.483 191 HG3 GLN 25 1HG GLN 25 7.570 -16.936 -37.187 192 HE21 GLN 25 1HE2 GLN 25 10.362 -15.434 -38.565 193 HE22 GLN 25 2HE2 GLN 25 9.528 -14.241 -39.510 Start of MODEL 14 1 H1 GLU 1 1HT GLU 1 5.068 7.072 -18.882 2 H2 GLU 1 2HT GLU 1 5.984 7.307 -17.470 3 H3 GLU 1 3HT GLU 1 5.609 5.735 -17.987 4 HA GLU 1 HA GLU 1 6.961 5.932 -19.900 5 HB2 GLU 1 2HB GLU 1 6.546 8.318 -20.328 6 HB3 GLU 1 1HB GLU 1 7.511 8.740 -18.917 7 HG2 GLU 1 2HG GLU 1 8.711 9.024 -21.041 8 HG3 GLU 1 1HG GLU 1 9.494 7.878 -19.953 9 H PHE 2 H PHE 2 8.701 4.770 -19.545 10 HA PHE 2 HA PHE 2 10.358 5.347 -17.188 11 HB2 PHE 2 2HB PHE 2 8.888 3.277 -17.040 12 HB3 PHE 2 1HB PHE 2 9.840 2.611 -18.356 13 HD1 PHE 2 2HD PHE 2 10.049 3.827 -14.864 14 HD2 PHE 2 1HD PHE 2 11.901 1.574 -17.965 15 HE1 PHE 2 2HE PHE 2 11.704 2.975 -13.257 16 HE2 PHE 2 1HE PHE 2 13.555 0.716 -16.363 17 HZ PHE 2 HZ PHE 2 13.460 1.420 -14.007 18 H CYS 3 H CYS 3 10.130 4.980 -20.556 19 HA CYS 3 HA CYS 3 12.969 4.288 -20.777 20 HB2 CYS 3 2HB CYS 3 11.272 2.700 -21.749 21 HB3 CYS 3 1HB CYS 3 10.858 3.960 -22.903 22 H LEU 4 H LEU 4 11.136 6.909 -20.737 23 HA LEU 4 HA LEU 4 11.336 9.058 -21.445 24 HB2 LEU 4 2HB LEU 4 14.037 8.112 -22.399 25 HB3 LEU 4 1HB LEU 4 13.537 9.791 -22.317 26 HG LEU 4 HG LEU 4 13.788 7.937 -19.947 27 HD11 LEU 4 1HD1 LEU 4 15.741 9.270 -19.365 28 HD12 LEU 4 2HD1 LEU 4 15.544 10.230 -20.833 29 HD13 LEU 4 3HD1 LEU 4 15.952 8.518 -20.946 30 HD21 LEU 4 3HD2 LEU 4 13.441 9.943 -18.612 31 HD22 LEU 4 1HD2 LEU 4 12.059 9.653 -19.668 32 HD23 LEU 4 2HD2 LEU 4 13.234 10.904 -20.077 33 H ASN 5 H ASN 5 10.251 6.981 -23.267 34 HA ASN 5 HA ASN 5 9.588 8.367 -25.521 35 HB2 ASN 5 2HB ASN 5 11.881 8.479 -26.269 36 HB3 ASN 5 1HB ASN 5 12.110 6.758 -25.977 37 HD21 ASN 5 1HD2 ASN 5 11.188 5.261 -27.407 38 HD22 ASN 5 2HD2 ASN 5 10.676 5.715 -28.991 39 H CYS 6 H CYS 6 10.751 5.188 -24.538 40 HA CYS 6 HA CYS 6 9.393 3.741 -26.520 41 HB2 CYS 6 2HB CYS 6 10.214 2.652 -23.840 42 HB3 CYS 6 1HB CYS 6 10.074 1.779 -25.361 43 H VAL 7 H VAL 7 8.192 5.260 -23.785 44 HA VAL 7 HA VAL 7 5.831 3.539 -23.827 45 HB VAL 7 HB VAL 7 6.923 5.345 -21.669 46 HG11 VAL 7 1HG1 VAL 7 4.485 5.630 -21.774 47 HG12 VAL 7 2HG1 VAL 7 4.960 4.746 -20.323 48 HG13 VAL 7 3HG1 VAL 7 4.272 3.881 -21.699 49 HG21 VAL 7 3HG2 VAL 7 7.926 3.144 -21.781 50 HG22 VAL 7 1HG2 VAL 7 6.336 2.385 -21.752 51 HG23 VAL 7 2HG2 VAL 7 6.912 3.281 -20.345 52 H SER 8 H SER 8 6.893 6.911 -23.703 53 HA SER 8 HA SER 8 4.313 8.018 -24.012 54 HB2 SER 8 2HB SER 8 6.978 9.290 -24.644 55 HB3 SER 8 1HB SER 8 5.462 10.133 -24.322 56 HG SER 8 HG SER 8 7.081 8.642 -22.553 57 H HIS 9 H HIS 9 6.812 7.121 -26.351 58 HA HIS 9 HA HIS 9 5.067 8.137 -28.494 59 HB2 HIS 9 2HB HIS 9 8.050 7.646 -28.463 60 HB3 HIS 9 1HB HIS 9 7.142 8.005 -29.927 61 HD1 HIS 9 1HD HIS 9 9.402 9.739 -28.189 62 HD2 HIS 9 2HD HIS 9 5.370 10.506 -28.848 63 HE1 HIS 9 1HE HIS 9 9.113 12.212 -27.846 64 HE2 HIS 9 2HE HIS 9 6.677 12.668 -28.296 65 H THR 10 H THR 10 5.766 5.305 -26.980 66 HA THR 10 HA THR 10 5.349 3.798 -29.461 67 HB THR 10 HB THR 10 7.237 3.005 -27.233 68 HG1 THR 10 1HG THR 10 7.835 3.706 -29.936 69 HG21 THR 10 3HG2 THR 10 6.651 1.681 -29.887 70 HG22 THR 10 1HG2 THR 10 6.182 1.066 -28.302 71 HG23 THR 10 2HG2 THR 10 7.888 1.181 -28.735 72 H ALA 11 H ALA 11 5.593 3.178 -25.973 73 HA ALA 11 HA ALA 11 4.216 2.175 -24.467 74 HB1 ALA 11 3HB ALA 11 2.063 2.476 -26.552 75 HB2 ALA 11 1HB ALA 11 2.478 3.665 -25.316 76 HB3 ALA 11 2HB ALA 11 1.818 2.099 -24.847 77 H SER 12 H SER 12 3.729 0.919 -27.745 78 HA SER 12 HA SER 12 2.922 -1.672 -27.114 79 HB2 SER 12 2HB SER 12 2.886 -0.586 -29.348 80 HB3 SER 12 1HB SER 12 4.621 -0.813 -29.459 81 HG SER 12 HG SER 12 3.821 -2.542 -30.464 82 H TYR 13 H TYR 13 6.198 -0.588 -28.013 83 HA TYR 13 HA TYR 13 7.480 -2.995 -27.271 84 HB2 TYR 13 2HB TYR 13 8.418 -1.339 -28.873 85 HB3 TYR 13 1HB TYR 13 8.675 -0.227 -27.535 86 HD1 TYR 13 2HD TYR 13 9.761 -3.377 -29.078 87 HD2 TYR 13 1HD TYR 13 10.522 -0.532 -26.017 88 HE1 TYR 13 2HE TYR 13 11.961 -4.407 -28.680 89 HE2 TYR 13 1HE TYR 13 12.720 -1.545 -25.608 90 HH TYR 13 HH TYR 13 14.215 -3.624 -27.717 91 H LEU 14 H LEU 14 6.842 -3.542 -25.279 92 HA LEU 14 HA LEU 14 8.055 -2.683 -22.954 93 HB2 LEU 14 2HB LEU 14 6.791 -0.577 -23.269 94 HB3 LEU 14 1HB LEU 14 5.294 -1.490 -23.334 95 HG LEU 14 HG LEU 14 5.720 -2.248 -20.997 96 HD11 LEU 14 1HD1 LEU 14 7.389 -1.031 -19.672 97 HD12 LEU 14 2HD1 LEU 14 7.967 -0.241 -21.140 98 HD13 LEU 14 3HD1 LEU 14 8.129 -1.986 -20.956 99 HD21 LEU 14 3HD2 LEU 14 5.082 -0.147 -19.948 100 HD22 LEU 14 1HD2 LEU 14 4.237 -0.351 -21.482 101 HD23 LEU 14 2HD2 LEU 14 5.614 0.746 -21.373 102 H ARG 15 H ARG 15 5.059 -3.755 -24.489 103 HA ARG 15 HA ARG 15 5.293 -6.290 -23.157 104 HB2 ARG 15 2HB ARG 15 4.191 -5.016 -21.378 105 HB3 ARG 15 1HB ARG 15 2.899 -4.571 -22.486 106 HG2 ARG 15 2HG ARG 15 2.203 -6.863 -22.680 107 HG3 ARG 15 1HG ARG 15 3.576 -7.397 -21.709 108 HD2 ARG 15 2HD ARG 15 2.692 -6.128 -19.802 109 HD3 ARG 15 1HD ARG 15 1.304 -5.643 -20.775 110 HE ARG 15 HE ARG 15 0.826 -8.111 -20.953 111 HH11 ARG 15 1HH1 ARG 15 2.477 -6.704 -18.180 112 HH12 ARG 15 2HH1 ARG 15 2.080 -8.031 -17.115 113 HH21 ARG 15 1HH2 ARG 15 0.348 -9.866 -19.564 114 HH22 ARG 15 2HH2 ARG 15 0.859 -9.811 -17.896 115 H LEU 16 H LEU 16 3.357 -4.159 -25.209 116 HA LEU 16 HA LEU 16 1.759 -6.386 -26.122 117 HB2 LEU 16 2HB LEU 16 1.793 -3.477 -26.896 118 HB3 LEU 16 1HB LEU 16 0.735 -4.658 -27.638 119 HG LEU 16 HG LEU 16 -0.186 -5.094 -25.304 120 HD11 LEU 16 1HD1 LEU 16 0.040 -3.250 -23.698 121 HD12 LEU 16 2HD1 LEU 16 1.254 -2.505 -24.740 122 HD13 LEU 16 3HD1 LEU 16 1.575 -4.068 -23.990 123 HD21 LEU 16 3HD2 LEU 16 -1.688 -3.185 -25.457 124 HD22 LEU 16 1HD2 LEU 16 -1.369 -3.872 -27.050 125 HD23 LEU 16 2HD2 LEU 16 -0.565 -2.382 -26.555 126 H TRP 17 H TRP 17 4.781 -5.329 -26.905 127 HA TRP 17 HA TRP 17 4.500 -5.698 -29.781 128 HB2 TRP 17 2HB TRP 17 5.925 -3.880 -28.668 129 HB3 TRP 17 1HB TRP 17 7.056 -5.165 -28.268 130 HD1 TRP 17 HD TRP 17 5.497 -3.481 -31.383 131 HE1 TRP 17 1HE TRP 17 7.172 -3.710 -33.327 132 HE3 TRP 17 3HE TRP 17 9.026 -6.360 -29.076 133 HZ2 TRP 17 2HZ TRP 17 9.658 -4.953 -33.815 134 HZ3 TRP 17 3HZ TRP 17 11.021 -7.028 -30.349 135 HH2 TRP 17 HH TRP 17 11.330 -6.337 -32.670 136 H ALA 18 H ALA 18 5.608 -7.421 -26.987 137 HA ALA 18 HA ALA 18 6.391 -9.665 -28.723 138 HB1 ALA 18 3HB ALA 18 8.172 -10.269 -27.169 139 HB2 ALA 18 1HB ALA 18 7.815 -8.850 -26.190 140 HB3 ALA 18 2HB ALA 18 8.433 -8.656 -27.832 141 H LEU 19 H LEU 19 5.787 -11.691 -28.009 142 HA LEU 19 HA LEU 19 4.597 -13.278 -26.913 143 HB2 LEU 19 2HB LEU 19 4.635 -11.345 -24.593 144 HB3 LEU 19 1HB LEU 19 4.041 -12.995 -24.517 145 HG LEU 19 HG LEU 19 6.883 -12.211 -25.159 146 HD11 LEU 19 1HD1 LEU 19 5.689 -13.349 -22.640 147 HD12 LEU 19 2HD1 LEU 19 6.275 -11.700 -22.853 148 HD13 LEU 19 3HD1 LEU 19 7.404 -13.052 -22.935 149 HD21 LEU 19 3HD2 LEU 19 7.337 -14.607 -24.857 150 HD22 LEU 19 1HD2 LEU 19 6.241 -14.308 -26.207 151 HD23 LEU 19 2HD2 LEU 19 5.608 -14.904 -24.673 152 H SER 20 H SER 20 3.494 -10.618 -28.126 153 HA SER 20 HA SER 20 0.856 -10.347 -27.149 154 HB2 SER 20 2HB SER 20 1.859 -8.591 -28.532 155 HB3 SER 20 1HB SER 20 2.028 -9.716 -29.881 156 HG SER 20 HG SER 20 0.120 -8.181 -29.781 157 H LEU 21 H LEU 21 1.854 -11.728 -30.279 158 HA LEU 21 HA LEU 21 0.605 -14.235 -29.756 159 HB2 LEU 21 2HB LEU 21 -1.402 -12.882 -30.241 160 HB3 LEU 21 1HB LEU 21 -0.718 -12.428 -31.789 161 HG LEU 21 HG LEU 21 -0.765 -14.815 -32.475 162 HD11 LEU 21 1HD1 LEU 21 -2.089 -16.400 -31.172 163 HD12 LEU 21 2HD1 LEU 21 -2.289 -15.196 -29.898 164 HD13 LEU 21 3HD1 LEU 21 -0.688 -15.837 -30.262 165 HD21 LEU 21 3HD2 LEU 21 -2.549 -13.367 -33.171 166 HD22 LEU 21 1HD2 LEU 21 -3.377 -13.581 -31.625 167 HD23 LEU 21 2HD2 LEU 21 -3.219 -14.939 -32.736 168 H ALA 22 H ALA 22 0.895 -12.409 -32.777 169 HA ALA 22 HA ALA 22 3.381 -13.561 -33.542 170 HB1 ALA 22 3HB ALA 22 0.910 -14.616 -34.925 171 HB2 ALA 22 1HB ALA 22 1.927 -15.530 -33.812 172 HB3 ALA 22 2HB ALA 22 2.584 -14.979 -35.352 173 H HIS 23 H HIS 23 1.974 -10.968 -33.389 174 HA HIS 23 HA HIS 23 2.221 -10.193 -36.184 175 HB2 HIS 23 2HB HIS 23 0.181 -8.880 -36.179 176 HB3 HIS 23 1HB HIS 23 -0.188 -10.562 -35.836 177 HD1 HIS 23 1HD HIS 23 -0.939 -7.233 -34.699 178 HD2 HIS 23 2HD HIS 23 -0.594 -10.979 -32.908 179 HE1 HIS 23 1HE HIS 23 -2.155 -7.061 -32.506 180 HE2 HIS 23 2HE HIS 23 -2.121 -9.391 -31.556 181 H ALA 24 H ALA 24 3.401 -8.432 -36.450 182 HA ALA 24 HA ALA 24 4.097 -6.780 -34.174 183 HB1 ALA 24 3HB ALA 24 4.816 -6.467 -37.094 184 HB2 ALA 24 1HB ALA 24 5.801 -7.277 -35.879 185 HB3 ALA 24 2HB ALA 24 5.500 -5.542 -35.758 186 H GLN 25 H GLN 25 2.026 -6.714 -36.971 187 HA GLN 25 HA GLN 25 0.844 -4.216 -35.998 188 HB2 GLN 25 2HB GLN 25 2.033 -3.930 -38.140 189 HB3 GLN 25 1HB GLN 25 1.072 -5.227 -38.836 190 HG2 GLN 25 2HG GLN 25 -0.928 -3.910 -38.657 191 HG3 GLN 25 1HG GLN 25 -0.062 -2.651 -37.770 192 HE21 GLN 25 1HE2 GLN 25 -0.618 -4.114 -40.869 193 HE22 GLN 25 2HE2 GLN 25 0.162 -2.883 -41.817 Start of MODEL 15 1 H1 GLU 1 1HT GLU 1 10.440 6.878 -18.586 2 H2 GLU 1 2HT GLU 1 12.089 7.097 -18.236 3 H3 GLU 1 3HT GLU 1 11.402 5.546 -18.172 4 HA GLU 1 HA GLU 1 10.993 5.565 -20.526 5 HB2 GLU 1 2HB GLU 1 11.579 8.381 -20.180 6 HB3 GLU 1 1HB GLU 1 12.590 7.678 -21.439 7 HG2 GLU 1 2HG GLU 1 9.602 7.451 -21.321 8 HG3 GLU 1 1HG GLU 1 10.493 8.621 -22.295 9 H PHE 2 H PHE 2 12.428 4.432 -21.706 10 HA PHE 2 HA PHE 2 15.198 4.366 -20.723 11 HB2 PHE 2 2HB PHE 2 13.821 2.272 -20.457 12 HB3 PHE 2 1HB PHE 2 13.727 2.185 -22.209 13 HD1 PHE 2 2HD PHE 2 16.106 2.164 -19.365 14 HD2 PHE 2 1HD PHE 2 15.427 1.202 -23.455 15 HE1 PHE 2 2HE PHE 2 18.240 0.943 -19.427 16 HE2 PHE 2 1HE PHE 2 17.561 -0.023 -23.523 17 HZ PHE 2 HZ PHE 2 18.943 -0.197 -21.464 18 H CYS 3 H CYS 3 13.103 4.880 -23.441 19 HA CYS 3 HA CYS 3 15.447 4.977 -25.201 20 HB2 CYS 3 2HB CYS 3 12.612 4.635 -26.141 21 HB3 CYS 3 1HB CYS 3 14.088 4.415 -27.072 22 H LEU 4 H LEU 4 13.235 6.828 -23.615 23 HA LEU 4 HA LEU 4 12.592 9.005 -23.696 24 HB2 LEU 4 2HB LEU 4 15.025 9.338 -24.317 25 HB3 LEU 4 1HB LEU 4 14.519 9.336 -25.993 26 HG LEU 4 HG LEU 4 13.112 11.317 -25.566 27 HD11 LEU 4 1HD1 LEU 4 13.367 12.545 -23.467 28 HD12 LEU 4 2HD1 LEU 4 14.371 11.246 -22.826 29 HD13 LEU 4 3HD1 LEU 4 12.672 10.946 -23.192 30 HD21 LEU 4 3HD2 LEU 4 16.013 11.580 -24.787 31 HD22 LEU 4 1HD2 LEU 4 14.968 12.901 -25.307 32 HD23 LEU 4 2HD2 LEU 4 15.355 11.595 -26.425 33 H ASN 5 H ASN 5 11.211 6.968 -25.104 34 HA ASN 5 HA ASN 5 9.343 8.261 -26.610 35 HB2 ASN 5 2HB ASN 5 11.021 8.755 -28.303 36 HB3 ASN 5 1HB ASN 5 11.455 7.049 -28.402 37 HD21 ASN 5 1HD2 ASN 5 9.922 5.565 -29.270 38 HD22 ASN 5 2HD2 ASN 5 8.659 6.118 -30.327 39 H CYS 6 H CYS 6 11.237 5.229 -26.592 40 HA CYS 6 HA CYS 6 9.219 3.735 -27.924 41 HB2 CYS 6 2HB CYS 6 10.596 1.864 -27.703 42 HB3 CYS 6 1HB CYS 6 11.746 3.195 -27.705 43 H VAL 7 H VAL 7 9.611 4.759 -24.745 44 HA VAL 7 HA VAL 7 7.926 2.627 -23.701 45 HB VAL 7 HB VAL 7 9.832 4.586 -22.437 46 HG11 VAL 7 1HG1 VAL 7 7.781 2.927 -20.941 47 HG12 VAL 7 2HG1 VAL 7 7.777 4.686 -21.076 48 HG13 VAL 7 3HG1 VAL 7 9.080 3.869 -20.209 49 HG21 VAL 7 3HG2 VAL 7 10.732 2.468 -23.180 50 HG22 VAL 7 1HG2 VAL 7 9.502 1.584 -22.276 51 HG23 VAL 7 2HG2 VAL 7 10.726 2.517 -21.416 52 H SER 8 H SER 8 8.213 6.153 -23.744 53 HA SER 8 HA SER 8 5.662 6.523 -22.514 54 HB2 SER 8 2HB SER 8 7.653 8.421 -23.725 55 HB3 SER 8 1HB SER 8 6.111 8.963 -23.062 56 HG SER 8 HG SER 8 6.715 8.067 -21.064 57 H HIS 9 H HIS 9 6.864 6.743 -25.840 58 HA HIS 9 HA HIS 9 4.200 7.683 -26.657 59 HB2 HIS 9 2HB HIS 9 6.905 8.018 -27.943 60 HB3 HIS 9 1HB HIS 9 5.401 8.388 -28.780 61 HD1 HIS 9 1HD HIS 9 7.759 10.433 -27.807 62 HD2 HIS 9 2HD HIS 9 3.963 9.909 -26.176 63 HE1 HIS 9 1HE HIS 9 7.232 12.570 -26.600 64 HE2 HIS 9 2HE HIS 9 5.038 12.144 -25.436 65 H THR 10 H THR 10 6.418 5.050 -26.987 66 HA THR 10 HA THR 10 4.975 3.990 -29.280 67 HB THR 10 HB THR 10 7.214 2.706 -27.703 68 HG1 THR 10 1HG THR 10 7.208 4.487 -29.914 69 HG21 THR 10 3HG2 THR 10 6.100 2.109 -30.449 70 HG22 THR 10 1HG2 THR 10 5.881 1.120 -29.006 71 HG23 THR 10 2HG2 THR 10 7.488 1.312 -29.705 72 H ALA 11 H ALA 11 5.688 3.094 -25.935 73 HA ALA 11 HA ALA 11 4.540 1.963 -24.341 74 HB1 ALA 11 3HB ALA 11 2.676 3.418 -24.936 75 HB2 ALA 11 1HB ALA 11 2.120 1.813 -24.452 76 HB3 ALA 11 2HB ALA 11 2.159 2.257 -26.158 77 H SER 12 H SER 12 3.690 0.734 -27.568 78 HA SER 12 HA SER 12 2.922 -1.847 -26.871 79 HB2 SER 12 2HB SER 12 2.808 -0.603 -29.127 80 HB3 SER 12 1HB SER 12 4.452 -1.179 -29.375 81 HG SER 12 HG SER 12 3.747 -3.263 -29.387 82 H TYR 13 H TYR 13 6.070 -0.481 -27.512 83 HA TYR 13 HA TYR 13 7.545 -2.798 -27.891 84 HB2 TYR 13 2HB TYR 13 8.296 -0.571 -28.530 85 HB3 TYR 13 1HB TYR 13 8.439 -0.114 -26.841 86 HD1 TYR 13 2HD TYR 13 9.729 -2.533 -29.349 87 HD2 TYR 13 1HD TYR 13 10.474 -0.438 -25.724 88 HE1 TYR 13 2HE TYR 13 12.043 -3.356 -29.355 89 HE2 TYR 13 1HE TYR 13 12.795 -1.249 -25.724 90 HH TYR 13 HH TYR 13 14.105 -3.087 -26.634 91 H LEU 14 H LEU 14 6.371 -1.472 -24.889 92 HA LEU 14 HA LEU 14 8.115 -3.378 -23.475 93 HB2 LEU 14 2HB LEU 14 7.810 -2.052 -21.441 94 HB3 LEU 14 1HB LEU 14 8.582 -1.134 -22.716 95 HG LEU 14 HG LEU 14 5.625 -0.877 -22.270 96 HD11 LEU 14 1HD1 LEU 14 7.773 0.614 -20.768 97 HD12 LEU 14 2HD1 LEU 14 6.667 -0.571 -20.072 98 HD13 LEU 14 3HD1 LEU 14 6.042 0.949 -20.713 99 HD21 LEU 14 3HD2 LEU 14 6.606 0.149 -24.257 100 HD22 LEU 14 1HD2 LEU 14 7.760 1.017 -23.249 101 HD23 LEU 14 2HD2 LEU 14 6.039 1.377 -23.124 102 H ARG 15 H ARG 15 5.287 -3.558 -24.749 103 HA ARG 15 HA ARG 15 4.202 -5.082 -22.509 104 HB2 ARG 15 2HB ARG 15 3.079 -2.908 -22.404 105 HB3 ARG 15 1HB ARG 15 2.578 -3.082 -24.081 106 HG2 ARG 15 2HG ARG 15 1.181 -4.962 -23.523 107 HG3 ARG 15 1HG ARG 15 1.764 -4.940 -21.857 108 HD2 ARG 15 2HD ARG 15 0.243 -2.708 -23.200 109 HD3 ARG 15 1HD ARG 15 -0.456 -3.895 -22.102 110 HE ARG 15 HE ARG 15 1.369 -2.953 -20.501 111 HH11 ARG 15 1HH1 ARG 15 -0.527 -1.127 -22.806 112 HH12 ARG 15 2HH1 ARG 15 -0.525 0.334 -21.875 113 HH21 ARG 15 1HH2 ARG 15 1.360 -1.037 -19.230 114 HH22 ARG 15 2HH2 ARG 15 0.523 0.380 -19.819 115 H LEU 16 H LEU 16 3.041 -4.156 -25.749 116 HA LEU 16 HA LEU 16 1.995 -6.749 -26.260 117 HB2 LEU 16 2HB LEU 16 2.488 -4.390 -28.071 118 HB3 LEU 16 1HB LEU 16 1.763 -5.880 -28.633 119 HG LEU 16 HG LEU 16 -0.037 -5.493 -26.852 120 HD11 LEU 16 1HD1 LEU 16 1.099 -2.706 -26.934 121 HD12 LEU 16 2HD1 LEU 16 1.183 -3.806 -25.561 122 HD13 LEU 16 3HD1 LEU 16 -0.382 -3.210 -26.118 123 HD21 LEU 16 3HD2 LEU 16 -1.293 -4.001 -28.306 124 HD22 LEU 16 1HD2 LEU 16 -0.408 -5.198 -29.251 125 HD23 LEU 16 2HD2 LEU 16 0.191 -3.543 -29.141 126 H TRP 17 H TRP 17 5.025 -5.209 -26.789 127 HA TRP 17 HA TRP 17 6.162 -6.782 -28.784 128 HB2 TRP 17 2HB TRP 17 7.122 -4.693 -27.801 129 HB3 TRP 17 1HB TRP 17 7.561 -5.617 -26.372 130 HD1 TRP 17 HD TRP 17 8.407 -5.412 -30.125 131 HE1 TRP 17 1HE TRP 17 10.807 -6.280 -30.474 132 HE3 TRP 17 3HE TRP 17 9.390 -6.991 -25.360 133 HZ2 TRP 17 2HZ TRP 17 12.837 -7.477 -28.925 134 HZ3 TRP 17 3HZ TRP 17 11.595 -7.991 -24.882 135 HH2 TRP 17 HH TRP 17 13.278 -8.224 -26.634 136 H ALA 18 H ALA 18 5.618 -7.439 -25.405 137 HA ALA 18 HA ALA 18 7.439 -9.669 -25.326 138 HB1 ALA 18 3HB ALA 18 5.357 -8.830 -23.306 139 HB2 ALA 18 1HB ALA 18 7.044 -8.314 -23.319 140 HB3 ALA 18 2HB ALA 18 6.644 -10.010 -23.056 141 H LEU 19 H LEU 19 4.130 -9.102 -26.054 142 HA LEU 19 HA LEU 19 3.515 -11.972 -25.952 143 HB2 LEU 19 2HB LEU 19 1.682 -9.589 -26.252 144 HB3 LEU 19 1HB LEU 19 1.163 -11.263 -26.197 145 HG LEU 19 HG LEU 19 2.541 -9.799 -23.943 146 HD11 LEU 19 1HD1 LEU 19 -0.332 -10.669 -24.212 147 HD12 LEU 19 2HD1 LEU 19 0.248 -9.014 -24.393 148 HD13 LEU 19 3HD1 LEU 19 0.392 -9.832 -22.838 149 HD21 LEU 19 3HD2 LEU 19 1.952 -11.765 -22.611 150 HD22 LEU 19 1HD2 LEU 19 3.037 -12.185 -23.936 151 HD23 LEU 19 2HD2 LEU 19 1.317 -12.553 -24.056 152 H SER 20 H SER 20 4.986 -10.162 -27.999 153 HA SER 20 HA SER 20 3.442 -10.215 -30.367 154 HB2 SER 20 2HB SER 20 5.363 -8.698 -30.038 155 HB3 SER 20 1HB SER 20 6.450 -10.081 -30.048 156 HG SER 20 HG SER 20 4.705 -9.662 -32.225 157 H LEU 21 H LEU 21 3.775 -11.571 -32.240 158 HA LEU 21 HA LEU 21 3.686 -14.306 -31.442 159 HB2 LEU 21 2HB LEU 21 2.224 -13.315 -33.166 160 HB3 LEU 21 1HB LEU 21 3.616 -13.120 -34.214 161 HG LEU 21 HG LEU 21 3.906 -15.575 -34.251 162 HD11 LEU 21 1HD1 LEU 21 2.110 -16.999 -33.409 163 HD12 LEU 21 2HD1 LEU 21 1.322 -15.586 -32.705 164 HD13 LEU 21 3HD1 LEU 21 2.899 -16.110 -32.110 165 HD21 LEU 21 3HD2 LEU 21 2.643 -14.504 -36.030 166 HD22 LEU 21 1HD2 LEU 21 1.171 -14.599 -35.063 167 HD23 LEU 21 2HD2 LEU 21 1.944 -16.075 -35.637 168 H ALA 22 H ALA 22 6.363 -12.515 -31.846 169 HA ALA 22 HA ALA 22 7.895 -14.193 -33.604 170 HB1 ALA 22 3HB ALA 22 9.798 -12.817 -32.955 171 HB2 ALA 22 1HB ALA 22 8.848 -12.082 -31.665 172 HB3 ALA 22 2HB ALA 22 8.409 -11.801 -33.349 173 H HIS 23 H HIS 23 6.816 -14.407 -30.458 174 HA HIS 23 HA HIS 23 8.918 -15.849 -29.234 175 HB2 HIS 23 2HB HIS 23 7.314 -16.538 -27.563 176 HB3 HIS 23 1HB HIS 23 7.019 -14.854 -27.969 177 HD1 HIS 23 1HD HIS 23 4.757 -14.273 -29.032 178 HD2 HIS 23 2HD HIS 23 5.274 -18.342 -28.349 179 HE1 HIS 23 1HE HIS 23 2.492 -15.312 -29.360 180 HE2 HIS 23 2HE HIS 23 2.778 -17.717 -28.682 181 H ALA 24 H ALA 24 6.549 -16.743 -31.588 182 HA ALA 24 HA ALA 24 7.681 -19.216 -32.203 183 HB1 ALA 24 3HB ALA 24 5.980 -20.774 -31.371 184 HB2 ALA 24 1HB ALA 24 5.192 -19.457 -30.506 185 HB3 ALA 24 2HB ALA 24 6.818 -19.968 -30.046 186 H GLN 25 H GLN 25 7.282 -17.888 -34.128 187 HA GLN 25 HA GLN 25 4.551 -17.863 -35.110 188 HB2 GLN 25 2HB GLN 25 5.974 -15.925 -35.548 189 HB3 GLN 25 1HB GLN 25 7.139 -16.946 -36.382 190 HG2 GLN 25 2HG GLN 25 5.478 -17.436 -38.103 191 HG3 GLN 25 1HG GLN 25 4.298 -16.441 -37.250 192 HE21 GLN 25 1HE2 GLN 25 7.160 -16.446 -39.223 193 HE22 GLN 25 2HE2 GLN 25 7.152 -14.748 -39.587 Start of MODEL 16 1 H1 GLU 1 1HT GLU 1 13.484 -0.343 -19.964 2 H2 GLU 1 2HT GLU 1 12.689 1.069 -19.443 3 H3 GLU 1 3HT GLU 1 14.361 0.903 -19.219 4 HA GLU 1 HA GLU 1 12.966 1.072 -21.820 5 HB2 GLU 1 2HB GLU 1 14.382 3.079 -20.127 6 HB3 GLU 1 1HB GLU 1 14.547 3.193 -21.878 7 HG2 GLU 1 2HG GLU 1 12.074 3.403 -20.210 8 HG3 GLU 1 1HG GLU 1 12.734 4.557 -21.377 9 H PHE 2 H PHE 2 13.942 0.018 -23.303 10 HA PHE 2 HA PHE 2 16.735 -0.671 -23.116 11 HB2 PHE 2 2HB PHE 2 15.000 -2.180 -24.149 12 HB3 PHE 2 1HB PHE 2 14.865 -1.023 -25.469 13 HD1 PHE 2 2HD PHE 2 17.216 -3.305 -23.748 14 HD2 PHE 2 1HD PHE 2 16.381 -1.071 -27.265 15 HE1 PHE 2 2HE PHE 2 19.095 -4.407 -24.891 16 HE2 PHE 2 1HE PHE 2 18.262 -2.169 -28.418 17 HZ PHE 2 HZ PHE 2 19.622 -3.841 -27.227 18 H CYS 3 H CYS 3 14.688 1.580 -24.939 19 HA CYS 3 HA CYS 3 17.139 2.868 -25.900 20 HB2 CYS 3 2HB CYS 3 14.540 3.077 -27.368 21 HB3 CYS 3 1HB CYS 3 16.166 3.367 -27.972 22 H LEU 4 H LEU 4 15.017 3.320 -23.614 23 HA LEU 4 HA LEU 4 13.971 5.059 -22.563 24 HB2 LEU 4 2HB LEU 4 16.020 6.663 -24.108 25 HB3 LEU 4 1HB LEU 4 15.047 7.284 -22.788 26 HG LEU 4 HG LEU 4 17.032 5.026 -22.527 27 HD11 LEU 4 1HD1 LEU 4 18.170 7.120 -23.024 28 HD12 LEU 4 2HD1 LEU 4 18.430 6.646 -21.345 29 HD13 LEU 4 3HD1 LEU 4 17.277 7.924 -21.734 30 HD21 LEU 4 3HD2 LEU 4 15.201 4.936 -20.913 31 HD22 LEU 4 1HD2 LEU 4 15.533 6.604 -20.445 32 HD23 LEU 4 2HD2 LEU 4 16.730 5.346 -20.138 33 H ASN 5 H ASN 5 12.844 4.171 -25.075 34 HA ASN 5 HA ASN 5 11.106 6.193 -25.863 35 HB2 ASN 5 2HB ASN 5 13.011 7.361 -26.802 36 HB3 ASN 5 1HB ASN 5 13.546 5.904 -27.637 37 HD21 ASN 5 1HD2 ASN 5 12.214 5.100 -29.365 38 HD22 ASN 5 2HD2 ASN 5 11.203 6.182 -30.272 39 H CYS 6 H CYS 6 13.059 3.616 -27.379 40 HA CYS 6 HA CYS 6 11.026 2.888 -29.224 41 HB2 CYS 6 2HB CYS 6 12.474 1.176 -29.951 42 HB3 CYS 6 1HB CYS 6 13.565 2.440 -29.393 43 H VAL 7 H VAL 7 11.132 2.520 -25.996 44 HA VAL 7 HA VAL 7 9.583 0.056 -26.072 45 HB VAL 7 HB VAL 7 11.481 1.029 -23.925 46 HG11 VAL 7 1HG1 VAL 7 10.889 -0.969 -22.659 47 HG12 VAL 7 2HG1 VAL 7 9.691 -1.415 -23.875 48 HG13 VAL 7 3HG1 VAL 7 9.461 0.039 -22.900 49 HG21 VAL 7 3HG2 VAL 7 12.543 -0.060 -25.818 50 HG22 VAL 7 1HG2 VAL 7 11.472 -1.452 -25.640 51 HG23 VAL 7 2HG2 VAL 7 12.641 -1.071 -24.376 52 H SER 8 H SER 8 10.045 2.913 -23.898 53 HA SER 8 HA SER 8 7.311 2.669 -23.034 54 HB2 SER 8 2HB SER 8 9.508 4.570 -22.260 55 HB3 SER 8 1HB SER 8 7.864 4.725 -21.646 56 HG SER 8 HG SER 8 9.657 2.545 -21.311 57 H HIS 9 H HIS 9 9.135 5.021 -24.995 58 HA HIS 9 HA HIS 9 6.959 6.842 -25.208 59 HB2 HIS 9 2HB HIS 9 9.335 7.471 -25.594 60 HB3 HIS 9 1HB HIS 9 9.321 6.526 -27.080 61 HD1 HIS 9 1HD HIS 9 9.737 8.554 -28.590 62 HD2 HIS 9 2HD HIS 9 6.342 8.928 -26.221 63 HE1 HIS 9 1HE HIS 9 8.499 10.546 -29.498 64 HE2 HIS 9 2HE HIS 9 6.343 10.607 -28.192 65 H THR 10 H THR 10 7.783 3.920 -26.755 66 HA THR 10 HA THR 10 6.070 4.212 -29.034 67 HB THR 10 HB THR 10 7.307 1.763 -27.762 68 HG1 THR 10 1HG THR 10 8.371 3.750 -29.178 69 HG21 THR 10 3HG2 THR 10 6.855 0.644 -29.889 70 HG22 THR 10 1HG2 THR 10 6.074 2.105 -30.501 71 HG23 THR 10 2HG2 THR 10 5.351 1.211 -29.164 72 H ALA 11 H ALA 11 5.896 3.011 -25.781 73 HA ALA 11 HA ALA 11 4.191 2.473 -24.394 74 HB1 ALA 11 3HB ALA 11 2.465 3.947 -26.364 75 HB2 ALA 11 1HB ALA 11 3.406 4.701 -25.078 76 HB3 ALA 11 2HB ALA 11 2.081 3.606 -24.677 77 H SER 12 H SER 12 4.740 0.785 -26.853 78 HA SER 12 HA SER 12 2.373 -0.911 -26.529 79 HB2 SER 12 2HB SER 12 3.776 -0.483 -29.170 80 HB3 SER 12 1HB SER 12 2.301 -1.381 -28.868 81 HG SER 12 HG SER 12 2.556 1.184 -29.474 82 H TYR 13 H TYR 13 5.678 -0.698 -27.740 83 HA TYR 13 HA TYR 13 6.195 -3.402 -28.064 84 HB2 TYR 13 2HB TYR 13 7.597 -1.619 -28.990 85 HB3 TYR 13 1HB TYR 13 8.137 -1.200 -27.369 86 HD1 TYR 13 2HD TYR 13 8.097 -4.037 -29.792 87 HD2 TYR 13 1HD TYR 13 10.038 -2.194 -26.486 88 HE1 TYR 13 2HE TYR 13 9.944 -5.650 -29.980 89 HE2 TYR 13 1HE TYR 13 11.888 -3.796 -26.665 90 HH TYR 13 HH TYR 13 12.284 -6.052 -27.549 91 H LEU 14 H LEU 14 6.501 -1.420 -25.146 92 HA LEU 14 HA LEU 14 8.047 -3.255 -23.661 93 HB2 LEU 14 2HB LEU 14 7.604 -1.945 -21.753 94 HB3 LEU 14 1HB LEU 14 7.727 -0.833 -23.096 95 HG LEU 14 HG LEU 14 5.099 -1.771 -21.949 96 HD11 LEU 14 1HD1 LEU 14 6.301 -0.587 -20.225 97 HD12 LEU 14 2HD1 LEU 14 5.015 0.437 -20.863 98 HD13 LEU 14 3HD1 LEU 14 6.685 0.719 -21.347 99 HD21 LEU 14 3HD2 LEU 14 5.804 0.522 -23.777 100 HD22 LEU 14 1HD2 LEU 14 4.198 0.173 -23.136 101 HD23 LEU 14 2HD2 LEU 14 4.971 -0.959 -24.246 102 H ARG 15 H ARG 15 4.747 -3.241 -24.517 103 HA ARG 15 HA ARG 15 4.102 -5.195 -22.404 104 HB2 ARG 15 2HB ARG 15 2.827 -3.107 -22.238 105 HB3 ARG 15 1HB ARG 15 2.282 -3.292 -23.898 106 HG2 ARG 15 2HG ARG 15 1.004 -5.249 -23.295 107 HG3 ARG 15 1HG ARG 15 1.622 -5.178 -21.642 108 HD2 ARG 15 2HD ARG 15 -0.662 -4.229 -21.890 109 HD3 ARG 15 1HD ARG 15 0.521 -3.083 -21.256 110 HE ARG 15 HE ARG 15 -0.072 -3.063 -24.126 111 HH11 ARG 15 1HH1 ARG 15 -0.337 -1.553 -20.981 112 HH12 ARG 15 2HH1 ARG 15 -0.782 0.010 -21.625 113 HH21 ARG 15 1HH2 ARG 15 -0.656 -1.023 -24.976 114 HH22 ARG 15 2HH2 ARG 15 -0.967 0.299 -23.902 115 H LEU 16 H LEU 16 4.802 -4.884 -25.609 116 HA LEU 16 HA LEU 16 4.555 -6.143 -27.474 117 HB2 LEU 16 2HB LEU 16 3.798 -8.178 -25.393 118 HB3 LEU 16 1HB LEU 16 3.834 -8.574 -27.098 119 HG LEU 16 HG LEU 16 6.274 -7.799 -27.062 120 HD11 LEU 16 1HD1 LEU 16 7.418 -7.876 -24.935 121 HD12 LEU 16 2HD1 LEU 16 5.902 -8.204 -24.096 122 HD13 LEU 16 3HD1 LEU 16 6.153 -6.645 -24.883 123 HD21 LEU 16 3HD2 LEU 16 5.462 -10.256 -25.510 124 HD22 LEU 16 1HD2 LEU 16 7.032 -9.984 -26.267 125 HD23 LEU 16 2HD2 LEU 16 5.584 -10.129 -27.265 126 H TRP 17 H TRP 17 2.329 -4.517 -26.491 127 HA TRP 17 HA TRP 17 0.003 -6.047 -27.422 128 HB2 TRP 17 2HB TRP 17 -0.092 -5.060 -25.127 129 HB3 TRP 17 1HB TRP 17 0.057 -3.461 -25.841 130 HD1 TRP 17 HD TRP 17 -2.087 -2.500 -27.151 131 HE1 TRP 17 1HE TRP 17 -4.590 -3.112 -27.018 132 HE3 TRP 17 3HE TRP 17 -1.684 -7.017 -24.789 133 HZ2 TRP 17 2HZ TRP 17 -6.168 -5.240 -26.039 134 HZ3 TRP 17 3HZ TRP 17 -3.736 -8.277 -24.293 135 HH2 TRP 17 HH TRP 17 -5.936 -7.402 -24.908 136 H ALA 18 H ALA 18 -0.078 -5.788 -29.567 137 HA ALA 18 HA ALA 18 -0.501 -3.061 -30.549 138 HB1 ALA 18 3HB ALA 18 1.212 -5.110 -31.962 139 HB2 ALA 18 1HB ALA 18 1.797 -3.655 -31.153 140 HB3 ALA 18 2HB ALA 18 0.772 -3.520 -32.583 141 H LEU 19 H LEU 19 -2.709 -3.508 -30.512 142 HA LEU 19 HA LEU 19 -4.721 -4.192 -31.327 143 HB2 LEU 19 2HB LEU 19 -3.679 -3.461 -33.478 144 HB3 LEU 19 1HB LEU 19 -3.162 -5.118 -33.747 145 HG LEU 19 HG LEU 19 -5.543 -5.814 -33.771 146 HD11 LEU 19 1HD1 LEU 19 -6.121 -2.867 -33.675 147 HD12 LEU 19 2HD1 LEU 19 -6.398 -3.997 -32.352 148 HD13 LEU 19 3HD1 LEU 19 -7.301 -4.163 -33.861 149 HD21 LEU 19 3HD2 LEU 19 -6.087 -4.874 -35.942 150 HD22 LEU 19 1HD2 LEU 19 -4.374 -5.289 -35.857 151 HD23 LEU 19 2HD2 LEU 19 -4.883 -3.606 -35.712 152 H SER 20 H SER 20 -3.078 -5.983 -29.749 153 HA SER 20 HA SER 20 -3.531 -8.633 -30.819 154 HB2 SER 20 2HB SER 20 -1.430 -7.958 -29.573 155 HB3 SER 20 1HB SER 20 -2.415 -7.870 -28.115 156 HG SER 20 HG SER 20 -1.353 -10.039 -29.366 157 H LEU 21 H LEU 21 -4.706 -10.249 -29.629 158 HA LEU 21 HA LEU 21 -6.959 -9.116 -28.128 159 HB2 LEU 21 2HB LEU 21 -6.635 -11.823 -29.446 160 HB3 LEU 21 1HB LEU 21 -8.061 -11.286 -28.577 161 HG LEU 21 HG LEU 21 -6.996 -10.074 -31.135 162 HD11 LEU 21 1HD1 LEU 21 -9.436 -11.758 -30.583 163 HD12 LEU 21 2HD1 LEU 21 -8.006 -12.261 -31.483 164 HD13 LEU 21 3HD1 LEU 21 -9.047 -10.987 -32.118 165 HD21 LEU 21 3HD2 LEU 21 -9.480 -9.431 -29.552 166 HD22 LEU 21 1HD2 LEU 21 -9.060 -8.762 -31.130 167 HD23 LEU 21 2HD2 LEU 21 -8.064 -8.394 -29.721 168 H ALA 22 H ALA 22 -7.617 -11.732 -26.961 169 HA ALA 22 HA ALA 22 -5.829 -11.566 -24.693 170 HB1 ALA 22 3HB ALA 22 -7.360 -13.140 -23.623 171 HB2 ALA 22 1HB ALA 22 -8.229 -13.340 -25.143 172 HB3 ALA 22 2HB ALA 22 -8.236 -11.777 -24.322 173 H HIS 23 H HIS 23 -5.797 -13.093 -27.575 174 HA HIS 23 HA HIS 23 -3.896 -15.059 -26.562 175 HB2 HIS 23 2HB HIS 23 -4.578 -16.731 -28.171 176 HB3 HIS 23 1HB HIS 23 -5.982 -16.256 -27.226 177 HD1 HIS 23 1HD HIS 23 -4.947 -16.855 -30.611 178 HD2 HIS 23 2HD HIS 23 -7.657 -14.286 -28.757 179 HE1 HIS 23 1HE HIS 23 -6.483 -16.049 -32.428 180 HE2 HIS 23 2HE HIS 23 -8.249 -14.696 -31.249 181 H ALA 24 H ALA 24 -2.072 -15.333 -27.760 182 HA ALA 24 HA ALA 24 -1.584 -13.259 -29.785 183 HB1 ALA 24 3HB ALA 24 0.790 -13.690 -29.377 184 HB2 ALA 24 1HB ALA 24 0.370 -14.995 -28.265 185 HB3 ALA 24 2HB ALA 24 -0.051 -13.328 -27.869 186 H GLN 25 H GLN 25 -1.858 -16.654 -29.282 187 HA GLN 25 HA GLN 25 -0.959 -17.237 -32.001 188 HB2 GLN 25 2HB GLN 25 -0.143 -18.710 -30.212 189 HB3 GLN 25 1HB GLN 25 -1.801 -19.064 -29.742 190 HG2 GLN 25 2HG GLN 25 -2.181 -20.104 -31.939 191 HG3 GLN 25 1HG GLN 25 -0.500 -19.790 -32.359 192 HE21 GLN 25 1HE2 GLN 25 -1.312 -20.672 -29.107 193 HE22 GLN 25 2HE2 GLN 25 -0.705 -22.297 -29.175 Start of MODEL 17 1 H1 GLU 1 1HT GLU 1 9.610 3.730 -16.851 2 H2 GLU 1 2HT GLU 1 8.133 4.526 -17.082 3 H3 GLU 1 3HT GLU 1 9.358 5.267 -16.170 4 HA GLU 1 HA GLU 1 9.354 4.730 -19.086 5 HB2 GLU 1 2HB GLU 1 9.191 7.183 -17.361 6 HB3 GLU 1 1HB GLU 1 9.868 7.290 -18.984 7 HG2 GLU 1 2HG GLU 1 7.327 5.871 -18.860 8 HG3 GLU 1 1HG GLU 1 7.242 7.562 -18.351 9 H PHE 2 H PHE 2 11.279 4.100 -19.817 10 HA PHE 2 HA PHE 2 13.667 4.780 -18.302 11 HB2 PHE 2 2HB PHE 2 13.306 2.473 -19.233 12 HB3 PHE 2 1HB PHE 2 13.476 3.159 -20.845 13 HD1 PHE 2 1HD PHE 2 15.194 2.411 -17.701 14 HD2 PHE 2 2HD PHE 2 15.638 3.753 -21.720 15 HE1 PHE 2 1HE PHE 2 17.628 2.114 -17.526 16 HE2 PHE 2 2HE PHE 2 18.075 3.457 -21.551 17 HZ PHE 2 HZ PHE 2 19.068 2.634 -19.455 18 H CYS 3 H CYS 3 12.138 5.469 -21.407 19 HA CYS 3 HA CYS 3 14.306 7.355 -21.970 20 HB2 CYS 3 2HB CYS 3 12.391 6.519 -24.093 21 HB3 CYS 3 1HB CYS 3 14.071 7.017 -24.239 22 H LEU 4 H LEU 4 11.385 7.441 -20.665 23 HA LEU 4 HA LEU 4 9.686 8.941 -20.475 24 HB2 LEU 4 2HB LEU 4 11.904 10.736 -21.435 25 HB3 LEU 4 1HB LEU 4 10.313 11.359 -21.057 26 HG LEU 4 HG LEU 4 10.593 10.445 -18.737 27 HD11 LEU 4 1HD1 LEU 4 13.418 10.020 -19.683 28 HD12 LEU 4 2HD1 LEU 4 12.294 8.782 -19.136 29 HD13 LEU 4 3HD1 LEU 4 12.900 9.982 -17.996 30 HD21 LEU 4 3HD2 LEU 4 12.612 12.462 -19.685 31 HD22 LEU 4 1HD2 LEU 4 12.052 12.261 -18.025 32 HD23 LEU 4 2HD2 LEU 4 10.929 12.795 -19.277 33 H ASN 5 H ASN 5 9.799 7.398 -22.820 34 HA ASN 5 HA ASN 5 8.034 8.644 -24.587 35 HB2 ASN 5 2HB ASN 5 9.896 10.049 -25.296 36 HB3 ASN 5 1HB ASN 5 10.911 8.627 -25.523 37 HD21 ASN 5 1HD2 ASN 5 10.425 7.182 -27.197 38 HD22 ASN 5 2HD2 ASN 5 9.511 7.681 -28.592 39 H CYS 6 H CYS 6 10.865 6.456 -24.724 40 HA CYS 6 HA CYS 6 9.756 4.745 -26.667 41 HB2 CYS 6 2HB CYS 6 11.558 3.241 -26.189 42 HB3 CYS 6 1HB CYS 6 12.198 4.871 -26.010 43 H VAL 7 H VAL 7 8.992 5.215 -23.464 44 HA VAL 7 HA VAL 7 7.872 2.558 -23.212 45 HB VAL 7 HB VAL 7 8.726 4.611 -21.185 46 HG11 VAL 7 1HG1 VAL 7 6.464 3.902 -20.499 47 HG12 VAL 7 2HG1 VAL 7 7.687 3.249 -19.411 48 HG13 VAL 7 3HG1 VAL 7 6.948 2.213 -20.631 49 HG21 VAL 7 3HG2 VAL 7 10.356 2.984 -21.944 50 HG22 VAL 7 1HG2 VAL 7 9.269 1.660 -21.533 51 HG23 VAL 7 2HG2 VAL 7 9.932 2.683 -20.261 52 H SER 8 H SER 8 6.972 5.939 -22.406 53 HA SER 8 HA SER 8 4.217 5.191 -22.214 54 HB2 SER 8 2HB SER 8 3.802 7.597 -21.858 55 HB3 SER 8 1HB SER 8 5.100 6.996 -20.826 56 HG SER 8 HG SER 8 6.382 8.387 -21.720 57 H HIS 9 H HIS 9 6.149 7.010 -24.535 58 HA HIS 9 HA HIS 9 3.827 7.464 -26.231 59 HB2 HIS 9 2HB HIS 9 6.699 8.394 -26.458 60 HB3 HIS 9 1HB HIS 9 5.421 8.825 -27.592 61 HD1 HIS 9 1HD HIS 9 6.944 9.851 -24.447 62 HD2 HIS 9 2HD HIS 9 3.298 10.422 -26.350 63 HE1 HIS 9 1HE HIS 9 5.905 11.827 -23.307 64 HE2 HIS 9 2HE HIS 9 3.611 12.022 -24.337 65 H THR 10 H THR 10 4.989 4.793 -25.842 66 HA THR 10 HA THR 10 5.144 4.126 -28.673 67 HB THR 10 HB THR 10 7.112 3.028 -26.655 68 HG1 THR 10 1HG THR 10 7.180 5.262 -28.194 69 HG21 THR 10 3HG2 THR 10 6.464 1.424 -28.400 70 HG22 THR 10 1HG2 THR 10 8.142 1.932 -28.568 71 HG23 THR 10 2HG2 THR 10 6.910 2.594 -29.639 72 H ALA 11 H ALA 11 5.239 2.685 -25.394 73 HA ALA 11 HA ALA 11 3.915 1.187 -24.335 74 HB1 ALA 11 3HB ALA 11 1.626 0.870 -25.020 75 HB2 ALA 11 1HB ALA 11 1.973 1.572 -26.603 76 HB3 ALA 11 2HB ALA 11 2.063 2.573 -25.152 77 H SER 12 H SER 12 3.623 0.529 -27.815 78 HA SER 12 HA SER 12 3.226 -2.208 -27.759 79 HB2 SER 12 2HB SER 12 3.238 -0.490 -29.710 80 HB3 SER 12 1HB SER 12 4.940 -0.896 -29.854 81 HG SER 12 HG SER 12 3.102 -2.136 -31.047 82 H TYR 13 H TYR 13 6.222 -0.401 -27.707 83 HA TYR 13 HA TYR 13 8.026 -2.510 -28.124 84 HB2 TYR 13 2HB TYR 13 8.538 -0.110 -28.415 85 HB3 TYR 13 1HB TYR 13 8.452 0.103 -26.673 86 HD1 TYR 13 1HD TYR 13 10.223 -2.045 -29.164 87 HD2 TYR 13 2HD TYR 13 10.460 0.143 -25.527 88 HE1 TYR 13 1HE TYR 13 12.624 -2.550 -29.027 89 HE2 TYR 13 2HE TYR 13 12.863 -0.355 -25.374 90 HH TYR 13 HH TYR 13 14.472 -1.908 -26.176 91 H LEU 14 H LEU 14 6.148 -1.728 -25.400 92 HA LEU 14 HA LEU 14 7.949 -3.136 -23.575 93 HB2 LEU 14 2HB LEU 14 5.393 -1.614 -23.076 94 HB3 LEU 14 1HB LEU 14 6.237 -2.518 -21.839 95 HG LEU 14 HG LEU 14 6.812 -0.236 -21.548 96 HD11 LEU 14 1HD1 LEU 14 9.249 -0.258 -21.932 97 HD12 LEU 14 2HD1 LEU 14 9.054 -1.693 -22.938 98 HD13 LEU 14 3HD1 LEU 14 8.654 -1.759 -21.222 99 HD21 LEU 14 3HD2 LEU 14 7.567 -0.203 -24.469 100 HD22 LEU 14 1HD2 LEU 14 7.831 1.115 -23.326 101 HD23 LEU 14 2HD2 LEU 14 6.187 0.616 -23.731 102 H ARG 15 H ARG 15 6.088 -4.165 -25.827 103 HA ARG 15 HA ARG 15 4.983 -6.096 -26.274 104 HB2 ARG 15 2HB ARG 15 5.478 -6.857 -23.391 105 HB3 ARG 15 1HB ARG 15 5.024 -7.936 -24.698 106 HG2 ARG 15 2HG ARG 15 7.135 -7.653 -25.770 107 HG3 ARG 15 1HG ARG 15 7.588 -6.372 -24.641 108 HD2 ARG 15 2HD ARG 15 7.186 -9.299 -24.049 109 HD3 ARG 15 1HD ARG 15 8.687 -8.380 -23.964 110 HE ARG 15 HE ARG 15 6.943 -7.144 -22.221 111 HH11 ARG 15 1HH1 ARG 15 8.380 -10.323 -22.567 112 HH12 ARG 15 2HH1 ARG 15 8.336 -10.677 -20.859 113 HH21 ARG 15 1HH2 ARG 15 6.886 -7.583 -19.992 114 HH22 ARG 15 2HH2 ARG 15 7.484 -9.106 -19.382 115 H LEU 16 H LEU 16 3.798 -3.663 -25.019 116 HA LEU 16 HA LEU 16 1.641 -4.606 -23.372 117 HB2 LEU 16 2HB LEU 16 2.715 -2.365 -23.107 118 HB3 LEU 16 1HB LEU 16 2.023 -1.889 -24.645 119 HG LEU 16 HG LEU 16 -0.241 -2.192 -23.703 120 HD11 LEU 16 1HD1 LEU 16 0.270 -3.859 -21.997 121 HD12 LEU 16 2HD1 LEU 16 -0.536 -2.457 -21.294 122 HD13 LEU 16 3HD1 LEU 16 1.203 -2.663 -21.101 123 HD21 LEU 16 3HD2 LEU 16 -0.229 -0.205 -22.337 124 HD22 LEU 16 1HD2 LEU 16 0.882 -0.012 -23.693 125 HD23 LEU 16 2HD2 LEU 16 1.510 -0.362 -22.080 126 H TRP 17 H TRP 17 2.179 -4.860 -26.593 127 HA TRP 17 HA TRP 17 -0.609 -4.470 -27.350 128 HB2 TRP 17 2HB TRP 17 1.168 -3.805 -28.931 129 HB3 TRP 17 1HB TRP 17 1.706 -5.480 -29.012 130 HD1 TRP 17 HD TRP 17 -1.208 -3.213 -30.036 131 HE1 TRP 17 1HE TRP 17 -2.514 -4.347 -31.944 132 HE3 TRP 17 3HE TRP 17 1.206 -7.734 -30.101 133 HZ2 TRP 17 2HZ TRP 17 -2.511 -6.823 -33.293 134 HZ3 TRP 17 3HZ TRP 17 0.484 -9.427 -31.737 135 HH2 TRP 17 HH TRP 17 -1.339 -8.976 -33.298 136 H ALA 18 H ALA 18 1.748 -7.119 -27.145 137 HA ALA 18 HA ALA 18 -0.268 -9.091 -27.781 138 HB1 ALA 18 3HB ALA 18 2.574 -9.518 -26.863 139 HB2 ALA 18 1HB ALA 18 2.060 -9.330 -28.542 140 HB3 ALA 18 2HB ALA 18 1.510 -10.717 -27.601 141 H LEU 19 H LEU 19 1.550 -8.129 -24.898 142 HA LEU 19 HA LEU 19 0.118 -10.098 -23.294 143 HB2 LEU 19 2HB LEU 19 2.247 -8.082 -22.550 144 HB3 LEU 19 1HB LEU 19 1.553 -9.257 -21.452 145 HG LEU 19 HG LEU 19 3.167 -9.932 -23.916 146 HD11 LEU 19 1HD1 LEU 19 4.523 -8.896 -22.166 147 HD12 LEU 19 2HD1 LEU 19 4.893 -10.613 -22.336 148 HD13 LEU 19 3HD1 LEU 19 3.894 -10.056 -20.993 149 HD21 LEU 19 3HD2 LEU 19 2.154 -11.702 -21.698 150 HD22 LEU 19 1HD2 LEU 19 3.120 -12.201 -23.087 151 HD23 LEU 19 2HD2 LEU 19 1.472 -11.617 -23.323 152 H SER 20 H SER 20 -1.251 -7.819 -24.572 153 HA SER 20 HA SER 20 -1.907 -6.018 -22.414 154 HB2 SER 20 2HB SER 20 -1.734 -5.372 -24.871 155 HB3 SER 20 1HB SER 20 -3.248 -6.245 -25.105 156 HG SER 20 HG SER 20 -2.783 -3.783 -23.996 157 H LEU 21 H LEU 21 -4.390 -5.585 -22.197 158 HA LEU 21 HA LEU 21 -5.790 -8.161 -21.951 159 HB2 LEU 21 2HB LEU 21 -5.861 -5.783 -20.098 160 HB3 LEU 21 1HB LEU 21 -7.038 -7.077 -20.036 161 HG LEU 21 HG LEU 21 -5.004 -8.630 -19.706 162 HD11 LEU 21 1HD1 LEU 21 -3.104 -7.566 -18.585 163 HD12 LEU 21 2HD1 LEU 21 -3.786 -5.982 -18.953 164 HD13 LEU 21 3HD1 LEU 21 -3.267 -7.043 -20.263 165 HD21 LEU 21 3HD2 LEU 21 -5.845 -6.692 -17.555 166 HD22 LEU 21 1HD2 LEU 21 -5.055 -8.245 -17.294 167 HD23 LEU 21 2HD2 LEU 21 -6.672 -8.187 -17.993 168 H ALA 22 H ALA 22 -8.015 -8.169 -22.426 169 HA ALA 22 HA ALA 22 -8.924 -5.785 -23.908 170 HB1 ALA 22 3HB ALA 22 -10.231 -7.277 -25.322 171 HB2 ALA 22 1HB ALA 22 -9.664 -8.669 -24.402 172 HB3 ALA 22 2HB ALA 22 -8.525 -7.720 -25.360 173 H HIS 23 H HIS 23 -9.288 -7.312 -21.094 174 HA HIS 23 HA HIS 23 -11.723 -6.040 -20.464 175 HB2 HIS 23 2HB HIS 23 -13.188 -7.885 -20.083 176 HB3 HIS 23 1HB HIS 23 -12.578 -8.046 -21.722 177 HD1 HIS 23 1HD HIS 23 -10.290 -9.761 -21.739 178 HD2 HIS 23 2HD HIS 23 -13.164 -10.212 -18.759 179 HE1 HIS 23 1HE HIS 23 -9.995 -12.095 -20.853 180 HE2 HIS 23 2HE HIS 23 -11.890 -12.416 -19.226 181 H ALA 24 H ALA 24 -11.806 -5.655 -18.337 182 HA ALA 24 HA ALA 24 -9.691 -6.719 -16.669 183 HB1 ALA 24 3HB ALA 24 -10.454 -5.089 -15.016 184 HB2 ALA 24 1HB ALA 24 -11.840 -4.693 -16.031 185 HB3 ALA 24 2HB ALA 24 -10.207 -4.332 -16.589 186 H GLN 25 H GLN 25 -13.193 -6.872 -16.917 187 HA GLN 25 HA GLN 25 -13.274 -8.807 -14.717 188 HB2 GLN 25 2HB GLN 25 -14.725 -6.869 -14.414 189 HB3 GLN 25 1HB GLN 25 -15.465 -7.149 -15.986 190 HG2 GLN 25 2HG GLN 25 -16.386 -9.256 -15.174 191 HG3 GLN 25 1HG GLN 25 -15.624 -9.001 -13.608 192 HE21 GLN 25 1HE2 GLN 25 -18.137 -7.991 -15.761 193 HE22 GLN 25 2HE2 GLN 25 -19.056 -7.079 -14.607 Start of MODEL 18 1 H1 GLU 1 1HT GLU 1 4.819 4.678 -17.338 2 H2 GLU 1 2HT GLU 1 3.470 5.659 -17.658 3 H3 GLU 1 3HT GLU 1 4.275 5.780 -16.165 4 HA GLU 1 HA GLU 1 5.413 6.488 -18.821 5 HB2 GLU 1 2HB GLU 1 5.164 8.482 -16.633 6 HB3 GLU 1 1HB GLU 1 5.019 8.696 -18.366 7 HG2 GLU 1 2HG GLU 1 2.920 7.605 -16.507 8 HG3 GLU 1 1HG GLU 1 2.918 9.173 -17.308 9 H PHE 2 H PHE 2 7.336 5.337 -18.516 10 HA PHE 2 HA PHE 2 8.926 5.796 -16.159 11 HB2 PHE 2 2HB PHE 2 9.040 3.678 -17.551 12 HB3 PHE 2 1HB PHE 2 9.858 4.623 -18.790 13 HD1 PHE 2 1HD PHE 2 10.113 3.364 -15.337 14 HD2 PHE 2 2HD PHE 2 12.158 5.157 -18.612 15 HE1 PHE 2 1HE PHE 2 12.258 2.952 -14.215 16 HE2 PHE 2 2HE PHE 2 14.312 4.746 -17.491 17 HZ PHE 2 HZ PHE 2 14.363 3.639 -15.291 18 H CYS 3 H CYS 3 9.813 6.345 -19.570 19 HA CYS 3 HA CYS 3 11.241 8.733 -18.779 20 HB2 CYS 3 2HB CYS 3 10.979 8.027 -21.651 21 HB3 CYS 3 1HB CYS 3 12.384 8.610 -20.765 22 H LEU 4 H LEU 4 8.190 8.313 -18.999 23 HA LEU 4 HA LEU 4 6.373 9.611 -19.369 24 HB2 LEU 4 2HB LEU 4 8.362 11.705 -20.246 25 HB3 LEU 4 1HB LEU 4 6.654 11.985 -19.962 26 HG LEU 4 HG LEU 4 8.645 11.115 -17.861 27 HD11 LEU 4 1HD1 LEU 4 8.389 13.373 -16.979 28 HD12 LEU 4 2HD1 LEU 4 7.351 13.792 -18.341 29 HD13 LEU 4 3HD1 LEU 4 9.047 13.395 -18.615 30 HD21 LEU 4 3HD2 LEU 4 6.868 11.555 -16.268 31 HD22 LEU 4 1HD2 LEU 4 6.357 10.328 -17.427 32 HD23 LEU 4 2HD2 LEU 4 5.772 11.986 -17.582 33 H ASN 5 H ASN 5 8.414 8.581 -21.768 34 HA ASN 5 HA ASN 5 6.234 8.777 -23.696 35 HB2 ASN 5 2HB ASN 5 7.653 10.675 -24.280 36 HB3 ASN 5 1HB ASN 5 9.064 9.626 -24.346 37 HD21 ASN 5 1HD2 ASN 5 9.176 8.043 -26.042 38 HD22 ASN 5 2HD2 ASN 5 8.278 8.258 -27.503 39 H CYS 6 H CYS 6 9.547 7.572 -23.205 40 HA CYS 6 HA CYS 6 9.727 5.635 -25.118 41 HB2 CYS 6 2HB CYS 6 11.407 4.565 -23.763 42 HB3 CYS 6 1HB CYS 6 11.512 6.298 -23.466 43 H VAL 7 H VAL 7 8.061 5.419 -22.058 44 HA VAL 7 HA VAL 7 7.186 2.711 -22.692 45 HB VAL 7 HB VAL 7 7.151 4.331 -20.143 46 HG11 VAL 7 1HG1 VAL 7 6.110 2.393 -19.039 47 HG12 VAL 7 2HG1 VAL 7 5.945 1.590 -20.601 48 HG13 VAL 7 3HG1 VAL 7 5.052 3.074 -20.274 49 HG21 VAL 7 3HG2 VAL 7 8.473 1.718 -20.886 50 HG22 VAL 7 1HG2 VAL 7 8.560 2.497 -19.305 51 HG23 VAL 7 2HG2 VAL 7 9.275 3.278 -20.716 52 H SER 8 H SER 8 6.013 5.908 -21.920 53 HA SER 8 HA SER 8 3.281 5.449 -21.782 54 HB2 SER 8 2HB SER 8 4.652 7.931 -22.821 55 HB3 SER 8 1HB SER 8 3.030 7.829 -22.136 56 HG SER 8 HG SER 8 3.852 7.959 -20.243 57 H HIS 9 H HIS 9 4.900 6.956 -24.583 58 HA HIS 9 HA HIS 9 2.545 6.428 -26.195 59 HB2 HIS 9 2HB HIS 9 5.109 7.900 -26.837 60 HB3 HIS 9 1HB HIS 9 3.728 7.773 -27.924 61 HD1 HIS 9 1HD HIS 9 5.081 10.345 -26.284 62 HD2 HIS 9 2HD HIS 9 1.355 8.554 -25.798 63 HE1 HIS 9 1HE HIS 9 3.626 12.082 -25.192 64 HE2 HIS 9 2HE HIS 9 1.396 10.961 -24.839 65 H THR 10 H THR 10 5.516 4.944 -25.573 66 HA THR 10 HA THR 10 5.480 3.545 -28.157 67 HB THR 10 HB THR 10 7.811 3.534 -26.263 68 HG1 THR 10 1HG THR 10 7.098 5.512 -28.195 69 HG21 THR 10 3HG2 THR 10 9.104 3.127 -28.301 70 HG22 THR 10 1HG2 THR 10 7.634 3.256 -29.268 71 HG23 THR 10 2HG2 THR 10 7.827 1.924 -28.128 72 H ALA 11 H ALA 11 3.953 3.153 -25.612 73 HA ALA 11 HA ALA 11 4.607 0.808 -24.291 74 HB1 ALA 11 3HB ALA 11 1.850 1.684 -25.147 75 HB2 ALA 11 1HB ALA 11 2.694 2.210 -23.688 76 HB3 ALA 11 2HB ALA 11 2.225 0.520 -23.878 77 H SER 12 H SER 12 3.735 1.237 -27.558 78 HA SER 12 HA SER 12 2.737 -1.193 -28.394 79 HB2 SER 12 2HB SER 12 3.340 1.014 -29.651 80 HB3 SER 12 1HB SER 12 4.895 0.237 -29.908 81 HG SER 12 HG SER 12 3.873 -0.526 -31.597 82 H TYR 13 H TYR 13 6.023 -0.230 -27.675 83 HA TYR 13 HA TYR 13 7.071 -2.859 -28.405 84 HB2 TYR 13 2HB TYR 13 8.275 -1.135 -29.460 85 HB3 TYR 13 1HB TYR 13 8.274 -0.129 -28.021 86 HD1 TYR 13 2HD TYR 13 9.492 -3.500 -29.040 87 HD2 TYR 13 1HD TYR 13 10.349 0.124 -26.975 88 HE1 TYR 13 2HE TYR 13 11.724 -4.352 -28.490 89 HE2 TYR 13 1HE TYR 13 12.588 -0.733 -26.408 90 HH TYR 13 HH TYR 13 13.888 -3.579 -27.847 91 H LEU 14 H LEU 14 6.416 -0.840 -25.667 92 HA LEU 14 HA LEU 14 8.139 -2.382 -23.909 93 HB2 LEU 14 2HB LEU 14 6.555 0.118 -23.652 94 HB3 LEU 14 1HB LEU 14 6.896 -0.785 -22.186 95 HG LEU 14 HG LEU 14 8.534 0.989 -22.525 96 HD11 LEU 14 1HD1 LEU 14 10.584 -0.331 -22.388 97 HD12 LEU 14 2HD1 LEU 14 9.715 -1.745 -22.985 98 HD13 LEU 14 3HD1 LEU 14 9.291 -1.040 -21.424 99 HD21 LEU 14 3HD2 LEU 14 10.065 0.946 -24.424 100 HD22 LEU 14 1HD2 LEU 14 8.395 1.169 -24.940 101 HD23 LEU 14 2HD2 LEU 14 9.168 -0.409 -25.112 102 H ARG 15 H ARG 15 5.032 -2.646 -25.098 103 HA ARG 15 HA ARG 15 4.327 -4.465 -22.893 104 HB2 ARG 15 2HB ARG 15 2.520 -2.665 -24.496 105 HB3 ARG 15 1HB ARG 15 1.919 -3.986 -23.508 106 HG2 ARG 15 2HG ARG 15 3.433 -1.572 -22.535 107 HG3 ARG 15 1HG ARG 15 1.709 -1.884 -22.338 108 HD2 ARG 15 2HD ARG 15 2.523 -4.073 -21.178 109 HD3 ARG 15 1HD ARG 15 4.039 -3.189 -21.000 110 HE ARG 15 HE ARG 15 1.831 -1.613 -20.126 111 HH11 ARG 15 1HH1 ARG 15 3.901 -4.286 -19.151 112 HH12 ARG 15 2HH1 ARG 15 3.600 -4.056 -17.444 113 HH21 ARG 15 1HH2 ARG 15 1.398 -1.343 -17.895 114 HH22 ARG 15 2HH2 ARG 15 2.144 -2.423 -16.743 115 H LEU 16 H LEU 16 2.703 -6.155 -23.619 116 HA LEU 16 HA LEU 16 3.694 -7.372 -26.036 117 HB2 LEU 16 2HB LEU 16 1.710 -8.213 -23.944 118 HB3 LEU 16 1HB LEU 16 1.815 -9.082 -25.462 119 HG LEU 16 HG LEU 16 3.119 -10.246 -23.803 120 HD11 LEU 16 1HD1 LEU 16 3.996 -10.258 -26.056 121 HD12 LEU 16 2HD1 LEU 16 5.313 -10.251 -24.883 122 HD13 LEU 16 3HD1 LEU 16 4.886 -8.769 -25.740 123 HD21 LEU 16 3HD2 LEU 16 4.603 -7.648 -23.427 124 HD22 LEU 16 1HD2 LEU 16 5.067 -9.199 -22.728 125 HD23 LEU 16 2HD2 LEU 16 3.551 -8.435 -22.251 126 H TRP 17 H TRP 17 3.013 -5.468 -27.297 127 HA TRP 17 HA TRP 17 0.215 -5.751 -28.172 128 HB2 TRP 17 2HB TRP 17 0.804 -3.522 -27.323 129 HB3 TRP 17 1HB TRP 17 2.119 -3.408 -28.485 130 HD1 TRP 17 HD TRP 17 1.454 -2.731 -30.993 131 HE1 TRP 17 1HE TRP 17 -0.719 -1.827 -32.051 132 HE3 TRP 17 3HE TRP 17 -1.753 -3.678 -27.137 133 HZ2 TRP 17 2HZ TRP 17 -3.442 -1.569 -31.328 134 HZ3 TRP 17 3HZ TRP 17 -4.124 -3.078 -27.398 135 HH2 TRP 17 HH TRP 17 -4.950 -2.046 -29.450 136 H ALA 18 H ALA 18 3.510 -6.133 -29.079 137 HA ALA 18 HA ALA 18 2.949 -6.151 -31.945 138 HB1 ALA 18 3HB ALA 18 5.031 -5.102 -31.197 139 HB2 ALA 18 1HB ALA 18 5.358 -6.504 -32.219 140 HB3 ALA 18 2HB ALA 18 5.540 -6.627 -30.469 141 H LEU 19 H LEU 19 2.501 -7.953 -33.044 142 HA LEU 19 HA LEU 19 2.185 -10.126 -33.592 143 HB2 LEU 19 2HB LEU 19 4.521 -10.485 -31.726 144 HB3 LEU 19 1HB LEU 19 3.723 -11.862 -32.456 145 HG LEU 19 HG LEU 19 4.245 -10.825 -34.713 146 HD11 LEU 19 1HD1 LEU 19 4.677 -8.547 -33.989 147 HD12 LEU 19 2HD1 LEU 19 6.092 -9.224 -34.794 148 HD13 LEU 19 3HD1 LEU 19 6.059 -9.096 -33.035 149 HD21 LEU 19 3HD2 LEU 19 5.478 -12.721 -33.834 150 HD22 LEU 19 1HD2 LEU 19 6.533 -11.634 -32.925 151 HD23 LEU 19 2HD2 LEU 19 6.565 -11.627 -34.687 152 H SER 20 H SER 20 1.135 -8.784 -30.998 153 HA SER 20 HA SER 20 0.215 -11.204 -29.634 154 HB2 SER 20 2HB SER 20 0.262 -8.341 -28.681 155 HB3 SER 20 1HB SER 20 -0.224 -9.738 -27.720 156 HG SER 20 HG SER 20 2.320 -9.621 -28.951 157 H LEU 21 H LEU 21 -1.824 -11.813 -29.980 158 HA LEU 21 HA LEU 21 -3.671 -9.957 -31.250 159 HB2 LEU 21 2HB LEU 21 -3.403 -12.224 -32.160 160 HB3 LEU 21 1HB LEU 21 -3.920 -12.900 -30.628 161 HG LEU 21 HG LEU 21 -6.146 -11.849 -30.942 162 HD11 LEU 21 1HD1 LEU 21 -6.747 -10.944 -33.120 163 HD12 LEU 21 2HD1 LEU 21 -5.086 -11.140 -33.680 164 HD13 LEU 21 3HD1 LEU 21 -5.452 -10.003 -32.384 165 HD21 LEU 21 3HD2 LEU 21 -5.235 -13.647 -33.186 166 HD22 LEU 21 1HD2 LEU 21 -6.903 -13.405 -32.665 167 HD23 LEU 21 2HD2 LEU 21 -5.742 -14.168 -31.581 168 H ALA 22 H ALA 22 -3.525 -12.081 -28.390 169 HA ALA 22 HA ALA 22 -5.145 -10.269 -26.864 170 HB1 ALA 22 3HB ALA 22 -6.378 -12.929 -27.571 171 HB2 ALA 22 1HB ALA 22 -6.871 -11.375 -28.243 172 HB3 ALA 22 2HB ALA 22 -7.066 -11.692 -26.517 173 H HIS 23 H HIS 23 -2.562 -11.511 -26.494 174 HA HIS 23 HA HIS 23 -3.216 -12.979 -24.052 175 HB2 HIS 23 2HB HIS 23 -1.221 -14.250 -24.154 176 HB3 HIS 23 1HB HIS 23 -1.905 -14.305 -25.769 177 HD1 HIS 23 1HD HIS 23 1.170 -13.559 -23.945 178 HD2 HIS 23 2HD HIS 23 -0.455 -12.569 -27.652 179 HE1 HIS 23 1HE HIS 23 3.075 -12.681 -25.315 180 HE2 HIS 23 2HE HIS 23 2.127 -12.318 -27.615 181 H ALA 24 H ALA 24 -3.003 -11.803 -22.301 182 HA ALA 24 HA ALA 24 -1.297 -9.495 -22.180 183 HB1 ALA 24 3HB ALA 24 -3.355 -9.595 -20.872 184 HB2 ALA 24 1HB ALA 24 -1.955 -9.393 -19.820 185 HB3 ALA 24 2HB ALA 24 -2.727 -10.973 -19.967 186 H GLN 25 H GLN 25 -1.197 -12.792 -20.957 187 HA GLN 25 HA GLN 25 1.683 -12.460 -20.506 188 HB2 GLN 25 2HB GLN 25 0.457 -12.962 -18.440 189 HB3 GLN 25 1HB GLN 25 -0.266 -14.368 -19.208 190 HG2 GLN 25 2HG GLN 25 1.973 -15.358 -19.450 191 HG3 GLN 25 1HG GLN 25 2.658 -13.965 -18.614 192 HE21 GLN 25 1HE2 GLN 25 0.763 -16.850 -18.302 193 HE22 GLN 25 2HE2 GLN 25 0.843 -16.957 -16.580 Start of MODEL 19 1 H1 GLU 1 1HT GLU 1 -1.112 1.264 -35.167 2 H2 GLU 1 2HT GLU 1 -1.488 1.362 -33.517 3 H3 GLU 1 3HT GLU 1 -0.060 0.590 -34.012 4 HA GLU 1 HA GLU 1 0.454 2.753 -33.139 5 HB2 GLU 1 2HB GLU 1 0.666 2.807 -36.153 6 HB3 GLU 1 1HB GLU 1 1.717 3.619 -34.998 7 HG2 GLU 1 2HG GLU 1 2.525 1.469 -34.196 8 HG3 GLU 1 1HG GLU 1 1.436 0.640 -35.309 9 H PHE 2 H PHE 2 -1.339 3.862 -32.367 10 HA PHE 2 HA PHE 2 -3.187 5.197 -34.037 11 HB2 PHE 2 2HB PHE 2 -3.596 4.619 -31.650 12 HB3 PHE 2 1HB PHE 2 -2.449 5.872 -31.184 13 HD1 PHE 2 1HD PHE 2 -5.579 5.380 -33.138 14 HD2 PHE 2 2HD PHE 2 -3.227 8.015 -30.770 15 HE1 PHE 2 1HE PHE 2 -7.406 7.023 -33.154 16 HE2 PHE 2 2HE PHE 2 -5.053 9.665 -30.785 17 HZ PHE 2 HZ PHE 2 -7.149 9.166 -31.972 18 H CYS 3 H CYS 3 -0.653 6.660 -31.975 19 HA CYS 3 HA CYS 3 -0.625 8.959 -33.757 20 HB2 CYS 3 2HB CYS 3 1.171 8.921 -31.413 21 HB3 CYS 3 1HB CYS 3 0.118 10.203 -32.003 22 H LEU 4 H LEU 4 0.631 6.215 -34.201 23 HA LEU 4 HA LEU 4 2.441 5.333 -35.241 24 HB2 LEU 4 2HB LEU 4 2.239 7.375 -36.645 25 HB3 LEU 4 1HB LEU 4 3.366 8.183 -35.570 26 HG LEU 4 HG LEU 4 5.101 6.520 -36.183 27 HD11 LEU 4 1HD1 LEU 4 3.619 4.670 -36.772 28 HD12 LEU 4 2HD1 LEU 4 4.745 5.038 -38.078 29 HD13 LEU 4 3HD1 LEU 4 3.065 5.562 -38.187 30 HD21 LEU 4 3HD2 LEU 4 5.485 7.366 -38.465 31 HD22 LEU 4 1HD2 LEU 4 5.029 8.647 -37.340 32 HD23 LEU 4 2HD2 LEU 4 3.846 8.014 -38.484 33 H ASN 5 H ASN 5 2.694 7.073 -32.409 34 HA ASN 5 HA ASN 5 5.248 5.776 -31.839 35 HB2 ASN 5 2HB ASN 5 5.754 8.129 -32.297 36 HB3 ASN 5 1HB ASN 5 4.588 8.627 -31.069 37 HD21 ASN 5 1HD2 ASN 5 5.007 7.985 -28.856 38 HD22 ASN 5 2HD2 ASN 5 6.638 7.794 -28.329 39 H CYS 6 H CYS 6 2.626 7.671 -30.366 40 HA CYS 6 HA CYS 6 2.867 7.030 -27.730 41 HB2 CYS 6 2HB CYS 6 0.488 7.474 -27.500 42 HB3 CYS 6 1HB CYS 6 1.179 8.574 -28.690 43 H VAL 7 H VAL 7 1.329 5.106 -30.214 44 HA VAL 7 HA VAL 7 0.948 2.899 -28.370 45 HB VAL 7 HB VAL 7 0.116 3.360 -31.245 46 HG11 VAL 7 1HG1 VAL 7 -1.029 1.172 -31.139 47 HG12 VAL 7 2HG1 VAL 7 -0.283 0.858 -29.570 48 HG13 VAL 7 3HG1 VAL 7 0.721 0.988 -31.015 49 HG21 VAL 7 3HG2 VAL 7 -1.186 4.467 -29.508 50 HG22 VAL 7 1HG2 VAL 7 -1.449 2.921 -28.703 51 HG23 VAL 7 2HG2 VAL 7 -2.128 3.207 -30.307 52 H SER 8 H SER 8 2.614 3.609 -31.417 53 HA SER 8 HA SER 8 3.746 1.092 -31.792 54 HB2 SER 8 2HB SER 8 3.538 2.793 -33.563 55 HB3 SER 8 1HB SER 8 4.769 3.766 -32.767 56 HG SER 8 HG SER 8 5.133 1.875 -34.551 57 H HIS 9 H HIS 9 5.665 3.997 -31.057 58 HA HIS 9 HA HIS 9 7.796 2.291 -30.065 59 HB2 HIS 9 2HB HIS 9 7.726 5.278 -30.552 60 HB3 HIS 9 1HB HIS 9 9.162 4.331 -30.163 61 HD1 HIS 9 1HD HIS 9 7.601 5.792 -32.986 62 HD2 HIS 9 2HD HIS 9 9.376 2.098 -32.252 63 HE1 HIS 9 1HE HIS 9 8.137 4.832 -35.243 64 HE2 HIS 9 2HE HIS 9 9.107 2.552 -34.786 65 H THR 10 H THR 10 5.476 2.507 -28.383 66 HA THR 10 HA THR 10 6.770 3.582 -25.992 67 HB THR 10 HB THR 10 3.941 4.237 -26.827 68 HG1 THR 10 1HG THR 10 6.277 5.443 -27.314 69 HG21 THR 10 3HG2 THR 10 4.062 3.927 -24.420 70 HG22 THR 10 1HG2 THR 10 3.896 5.646 -24.784 71 HG23 THR 10 2HG2 THR 10 5.466 4.988 -24.324 72 H ALA 11 H ALA 11 3.658 2.168 -26.986 73 HA ALA 11 HA ALA 11 3.670 0.552 -24.548 74 HB1 ALA 11 3HB ALA 11 1.315 0.152 -25.042 75 HB2 ALA 11 1HB ALA 11 1.489 0.986 -26.584 76 HB3 ALA 11 2HB ALA 11 1.674 1.880 -25.076 77 H SER 12 H SER 12 3.430 0.246 -28.027 78 HA SER 12 HA SER 12 3.210 -2.560 -28.143 79 HB2 SER 12 2HB SER 12 2.684 -0.838 -29.945 80 HB3 SER 12 1HB SER 12 4.418 -0.767 -30.248 81 HG SER 12 HG SER 12 3.949 -2.380 -31.561 82 H TYR 13 H TYR 13 5.955 -0.335 -28.349 83 HA TYR 13 HA TYR 13 7.986 -2.186 -28.802 84 HB2 TYR 13 2HB TYR 13 8.414 0.164 -29.057 85 HB3 TYR 13 1HB TYR 13 8.022 0.474 -27.373 86 HD1 TYR 13 1HD TYR 13 10.479 -1.281 -29.557 87 HD2 TYR 13 2HD TYR 13 9.725 0.481 -25.750 88 HE1 TYR 13 1HE TYR 13 12.854 -1.528 -28.973 89 HE2 TYR 13 2HE TYR 13 12.096 0.234 -25.167 90 HH TYR 13 HH TYR 13 14.499 -0.465 -27.433 91 H LEU 14 H LEU 14 6.346 -1.336 -25.821 92 HA LEU 14 HA LEU 14 8.172 -3.011 -24.266 93 HB2 LEU 14 2HB LEU 14 5.777 -1.376 -23.417 94 HB3 LEU 14 1HB LEU 14 6.799 -2.293 -22.328 95 HG LEU 14 HG LEU 14 7.677 0.070 -23.993 96 HD11 LEU 14 1HD1 LEU 14 7.217 -0.218 -21.030 97 HD12 LEU 14 2HD1 LEU 14 6.220 0.706 -22.152 98 HD13 LEU 14 3HD1 LEU 14 7.883 1.204 -21.832 99 HD21 LEU 14 3HD2 LEU 14 9.469 -1.559 -23.692 100 HD22 LEU 14 1HD2 LEU 14 9.184 -1.558 -21.952 101 HD23 LEU 14 2HD2 LEU 14 9.774 -0.099 -22.749 102 H ARG 15 H ARG 15 5.742 -3.585 -26.273 103 HA ARG 15 HA ARG 15 4.251 -5.227 -26.655 104 HB2 ARG 15 2HB ARG 15 6.112 -6.512 -24.712 105 HB3 ARG 15 1HB ARG 15 4.637 -7.361 -25.168 106 HG2 ARG 15 2HG ARG 15 5.499 -7.959 -27.117 107 HG3 ARG 15 1HG ARG 15 5.987 -6.306 -27.487 108 HD2 ARG 15 2HD ARG 15 7.538 -8.115 -25.658 109 HD3 ARG 15 1HD ARG 15 7.838 -8.018 -27.391 110 HE ARG 15 HE ARG 15 8.181 -5.526 -26.894 111 HH11 ARG 15 1HH1 ARG 15 9.013 -8.177 -24.756 112 HH12 ARG 15 2HH1 ARG 15 10.227 -7.267 -23.895 113 HH21 ARG 15 1HH2 ARG 15 9.792 -4.343 -25.779 114 HH22 ARG 15 2HH2 ARG 15 10.701 -5.101 -24.499 115 H LEU 16 H LEU 16 3.900 -3.250 -24.332 116 HA LEU 16 HA LEU 16 1.998 -4.625 -22.631 117 HB2 LEU 16 2HB LEU 16 3.548 -2.810 -21.839 118 HB3 LEU 16 1HB LEU 16 2.607 -1.670 -22.782 119 HG LEU 16 HG LEU 16 0.606 -2.269 -21.425 120 HD11 LEU 16 1HD1 LEU 16 2.625 -3.841 -19.831 121 HD12 LEU 16 2HD1 LEU 16 1.245 -4.487 -20.719 122 HD13 LEU 16 3HD1 LEU 16 0.985 -3.473 -19.299 123 HD21 LEU 16 3HD2 LEU 16 3.000 -1.246 -19.893 124 HD22 LEU 16 1HD2 LEU 16 1.316 -1.065 -19.405 125 HD23 LEU 16 2HD2 LEU 16 1.893 -0.286 -20.878 126 H TRP 17 H TRP 17 1.844 -3.806 -25.665 127 HA TRP 17 HA TRP 17 -1.033 -3.226 -25.568 128 HB2 TRP 17 2HB TRP 17 0.227 -1.214 -26.284 129 HB3 TRP 17 1HB TRP 17 0.944 -2.147 -27.591 130 HD1 TRP 17 HD TRP 17 -0.431 -2.444 -29.776 131 HE1 TRP 17 1HE TRP 17 -2.684 -1.526 -30.607 132 HE3 TRP 17 3HE TRP 17 -2.224 -0.539 -25.368 133 HZ2 TRP 17 2HZ TRP 17 -4.915 -0.168 -29.554 134 HZ3 TRP 17 3HZ TRP 17 -4.427 0.553 -25.374 135 HH2 TRP 17 HH TRP 17 -5.744 0.733 -27.422 136 H ALA 18 H ALA 18 1.633 -4.974 -26.874 137 HA ALA 18 HA ALA 18 0.176 -6.036 -29.130 138 HB1 ALA 18 3HB ALA 18 2.947 -6.723 -28.154 139 HB2 ALA 18 1HB ALA 18 2.554 -5.508 -29.371 140 HB3 ALA 18 2HB ALA 18 2.227 -7.210 -29.687 141 H LEU 19 H LEU 19 1.610 -7.302 -26.134 142 HA LEU 19 HA LEU 19 0.143 -9.807 -26.554 143 HB2 LEU 19 2HB LEU 19 2.471 -9.062 -24.805 144 HB3 LEU 19 1HB LEU 19 1.546 -10.519 -24.507 145 HG LEU 19 HG LEU 19 3.454 -11.177 -25.735 146 HD11 LEU 19 1HD1 LEU 19 1.395 -12.236 -26.481 147 HD12 LEU 19 2HD1 LEU 19 2.528 -12.053 -27.821 148 HD13 LEU 19 3HD1 LEU 19 1.154 -10.957 -27.669 149 HD21 LEU 19 3HD2 LEU 19 4.126 -10.181 -27.853 150 HD22 LEU 19 1HD2 LEU 19 4.137 -8.992 -26.552 151 HD23 LEU 19 2HD2 LEU 19 2.815 -9.006 -27.721 152 H SER 20 H SER 20 -0.814 -7.096 -25.579 153 HA SER 20 HA SER 20 -1.956 -7.939 -23.011 154 HB2 SER 20 2HB SER 20 -1.560 -5.150 -24.120 155 HB3 SER 20 1HB SER 20 -2.274 -5.534 -22.552 156 HG SER 20 HG SER 20 0.205 -6.660 -23.066 157 H LEU 21 H LEU 21 -4.109 -6.262 -22.814 158 HA LEU 21 HA LEU 21 -5.804 -7.352 -24.959 159 HB2 LEU 21 2HB LEU 21 -6.538 -6.355 -22.210 160 HB3 LEU 21 1HB LEU 21 -7.669 -6.994 -23.389 161 HG LEU 21 HG LEU 21 -5.415 -8.562 -22.118 162 HD11 LEU 21 1HD1 LEU 21 -8.389 -8.652 -21.627 163 HD12 LEU 21 2HD1 LEU 21 -7.183 -7.989 -20.522 164 HD13 LEU 21 3HD1 LEU 21 -7.182 -9.712 -20.902 165 HD21 LEU 21 3HD2 LEU 21 -7.665 -9.424 -23.935 166 HD22 LEU 21 1HD2 LEU 21 -6.512 -10.500 -23.149 167 HD23 LEU 21 2HD2 LEU 21 -5.956 -9.347 -24.364 168 H ALA 22 H ALA 22 -6.791 -6.082 -26.368 169 HA ALA 22 HA ALA 22 -6.722 -3.179 -25.933 170 HB1 ALA 22 3HB ALA 22 -7.190 -2.969 -28.307 171 HB2 ALA 22 1HB ALA 22 -7.385 -4.715 -28.447 172 HB3 ALA 22 2HB ALA 22 -5.806 -4.034 -28.055 173 H HIS 23 H HIS 23 -8.813 -5.911 -26.193 174 HA HIS 23 HA HIS 23 -10.953 -4.515 -24.973 175 HB2 HIS 23 2HB HIS 23 -12.623 -4.662 -26.695 176 HB3 HIS 23 1HB HIS 23 -11.253 -3.777 -27.346 177 HD1 HIS 23 1HD HIS 23 -13.552 -6.382 -28.183 178 HD2 HIS 23 2HD HIS 23 -9.543 -5.604 -29.001 179 HE1 HIS 23 1HE HIS 23 -12.983 -7.777 -30.195 180 HE2 HIS 23 2HE HIS 23 -10.620 -7.130 -30.799 181 H ALA 24 H ALA 24 -12.326 -5.924 -23.954 182 HA ALA 24 HA ALA 24 -11.601 -8.744 -24.118 183 HB1 ALA 24 3HB ALA 24 -13.433 -7.330 -22.187 184 HB2 ALA 24 1HB ALA 24 -11.729 -7.689 -21.912 185 HB3 ALA 24 2HB ALA 24 -12.894 -9.006 -22.072 186 H GLN 25 H GLN 25 -14.223 -6.584 -24.841 187 HA GLN 25 HA GLN 25 -15.885 -8.836 -25.723 188 HB2 GLN 25 2HB GLN 25 -17.000 -7.338 -24.172 189 HB3 GLN 25 1HB GLN 25 -16.591 -5.949 -25.168 190 HG2 GLN 25 2HG GLN 25 -18.893 -6.489 -25.512 191 HG3 GLN 25 1HG GLN 25 -18.003 -6.906 -26.976 192 HE21 GLN 25 1HE2 GLN 25 -17.687 -9.092 -27.487 193 HE22 GLN 25 2HE2 GLN 25 -18.662 -10.342 -26.773 Start of MODEL 20 1 H1 GLU 1 1HT GLU 1 14.475 3.663 -19.626 2 H2 GLU 1 2HT GLU 1 12.896 4.117 -19.202 3 H3 GLU 1 3HT GLU 1 14.152 5.258 -19.146 4 HA GLU 1 HA GLU 1 13.098 3.947 -21.591 5 HB2 GLU 1 2HB GLU 1 12.740 6.674 -20.393 6 HB3 GLU 1 1HB GLU 1 12.569 6.408 -22.123 7 HG2 GLU 1 2HG GLU 1 10.989 4.458 -21.237 8 HG3 GLU 1 1HG GLU 1 10.828 5.582 -19.888 9 H PHE 2 H PHE 2 14.466 3.887 -23.221 10 HA PHE 2 HA PHE 2 16.935 5.370 -23.146 11 HB2 PHE 2 2HB PHE 2 16.873 3.122 -24.111 12 HB3 PHE 2 1HB PHE 2 15.706 3.653 -25.313 13 HD1 PHE 2 1HD PHE 2 19.204 3.970 -24.196 14 HD2 PHE 2 2HD PHE 2 16.408 4.750 -27.311 15 HE1 PHE 2 1HE PHE 2 21.054 4.544 -25.710 16 HE2 PHE 2 2HE PHE 2 18.255 5.325 -28.829 17 HZ PHE 2 HZ PHE 2 20.582 5.223 -28.028 18 H CYS 3 H CYS 3 13.790 5.633 -24.634 19 HA CYS 3 HA CYS 3 14.730 7.878 -26.228 20 HB2 CYS 3 2HB CYS 3 13.716 6.149 -27.544 21 HB3 CYS 3 1HB CYS 3 12.289 6.160 -26.516 22 H LEU 4 H LEU 4 12.918 7.254 -23.441 23 HA LEU 4 HA LEU 4 11.549 8.503 -22.108 24 HB2 LEU 4 2HB LEU 4 12.733 10.791 -23.689 25 HB3 LEU 4 1HB LEU 4 11.781 10.970 -22.226 26 HG LEU 4 HG LEU 4 14.445 9.554 -22.394 27 HD11 LEU 4 1HD1 LEU 4 13.747 12.254 -21.246 28 HD12 LEU 4 2HD1 LEU 4 14.670 11.966 -22.721 29 HD13 LEU 4 3HD1 LEU 4 15.322 11.466 -21.158 30 HD21 LEU 4 3HD2 LEU 4 12.729 10.284 -20.026 31 HD22 LEU 4 1HD2 LEU 4 14.326 9.537 -19.962 32 HD23 LEU 4 2HD2 LEU 4 12.970 8.659 -20.667 33 H ASN 5 H ASN 5 10.385 7.331 -24.299 34 HA ASN 5 HA ASN 5 7.934 8.457 -24.738 35 HB2 ASN 5 2HB ASN 5 8.990 10.362 -25.856 36 HB3 ASN 5 1HB ASN 5 9.893 9.271 -26.909 37 HD21 ASN 5 1HD2 ASN 5 8.656 7.944 -28.383 38 HD22 ASN 5 2HD2 ASN 5 7.145 8.527 -29.010 39 H CYS 6 H CYS 6 10.626 6.895 -26.416 40 HA CYS 6 HA CYS 6 8.841 5.459 -28.157 41 HB2 CYS 6 2HB CYS 6 11.817 5.112 -27.799 42 HB3 CYS 6 1HB CYS 6 10.845 4.491 -29.126 43 H VAL 7 H VAL 7 9.480 5.172 -25.080 44 HA VAL 7 HA VAL 7 9.339 2.263 -25.110 45 HB VAL 7 HB VAL 7 10.688 4.143 -23.181 46 HG11 VAL 7 1HG1 VAL 7 10.997 2.237 -21.637 47 HG12 VAL 7 2HG1 VAL 7 9.950 1.247 -22.653 48 HG13 VAL 7 3HG1 VAL 7 9.294 2.651 -21.816 49 HG21 VAL 7 3HG2 VAL 7 11.594 1.603 -24.544 50 HG22 VAL 7 1HG2 VAL 7 12.581 2.657 -23.529 51 HG23 VAL 7 2HG2 VAL 7 11.961 3.245 -25.073 52 H SER 8 H SER 8 8.393 5.083 -23.117 53 HA SER 8 HA SER 8 6.251 3.662 -21.873 54 HB2 SER 8 2HB SER 8 5.680 5.892 -20.904 55 HB3 SER 8 1HB SER 8 7.351 5.402 -20.629 56 HG SER 8 HG SER 8 7.978 7.110 -21.662 57 H HIS 9 H HIS 9 6.291 6.435 -24.109 58 HA HIS 9 HA HIS 9 3.446 6.440 -24.389 59 HB2 HIS 9 2HB HIS 9 5.615 7.932 -25.869 60 HB3 HIS 9 1HB HIS 9 3.896 8.165 -26.172 61 HD1 HIS 9 1HD HIS 9 2.713 9.814 -24.721 62 HD2 HIS 9 2HD HIS 9 6.401 8.678 -23.159 63 HE1 HIS 9 1HE HIS 9 3.121 11.347 -22.763 64 HE2 HIS 9 2HE HIS 9 5.336 10.612 -21.793 65 H THR 10 H THR 10 5.817 4.541 -25.742 66 HA THR 10 HA THR 10 4.464 4.188 -28.290 67 HB THR 10 HB THR 10 6.982 2.952 -27.183 68 HG1 THR 10 1HG THR 10 6.492 5.294 -28.283 69 HG21 THR 10 3HG2 THR 10 5.868 1.400 -28.747 70 HG22 THR 10 1HG2 THR 10 7.350 2.065 -29.441 71 HG23 THR 10 2HG2 THR 10 5.778 2.692 -29.946 72 H ALA 11 H ALA 11 5.179 2.366 -25.339 73 HA ALA 11 HA ALA 11 4.120 0.656 -24.292 74 HB1 ALA 11 3HB ALA 11 1.801 0.185 -24.735 75 HB2 ALA 11 1HB ALA 11 1.887 1.038 -26.275 76 HB3 ALA 11 2HB ALA 11 2.071 1.926 -24.764 77 H SER 12 H SER 12 3.816 0.341 -27.815 78 HA SER 12 HA SER 12 3.540 -2.421 -27.990 79 HB2 SER 12 2HB SER 12 3.407 -0.606 -29.824 80 HB3 SER 12 1HB SER 12 5.149 -0.814 -29.961 81 HG SER 12 HG SER 12 4.682 -2.420 -31.222 82 H TYR 13 H TYR 13 6.415 -0.429 -27.778 83 HA TYR 13 HA TYR 13 8.356 -2.382 -28.224 84 HB2 TYR 13 2HB TYR 13 8.853 0.003 -28.259 85 HB3 TYR 13 1HB TYR 13 8.493 0.123 -26.544 86 HD1 TYR 13 1HD TYR 13 10.839 -1.472 -28.960 87 HD2 TYR 13 2HD TYR 13 10.176 -0.228 -24.950 88 HE1 TYR 13 1HE TYR 13 13.194 -1.936 -28.436 89 HE2 TYR 13 2HE TYR 13 12.530 -0.689 -24.408 90 HH TYR 13 HH TYR 13 14.388 -2.016 -25.218 91 H LEU 14 H LEU 14 6.464 -1.658 -25.397 92 HA LEU 14 HA LEU 14 8.106 -3.440 -23.748 93 HB2 LEU 14 2HB LEU 14 5.784 -1.653 -23.009 94 HB3 LEU 14 1HB LEU 14 6.678 -2.653 -21.881 95 HG LEU 14 HG LEU 14 7.796 -0.328 -23.446 96 HD11 LEU 14 1HD1 LEU 14 6.306 0.383 -21.676 97 HD12 LEU 14 2HD1 LEU 14 7.978 0.742 -21.254 98 HD13 LEU 14 3HD1 LEU 14 7.161 -0.635 -20.516 99 HD21 LEU 14 3HD2 LEU 14 9.806 -0.642 -22.074 100 HD22 LEU 14 1HD2 LEU 14 9.488 -2.040 -23.100 101 HD23 LEU 14 2HD2 LEU 14 9.100 -2.101 -21.383 102 H ARG 15 H ARG 15 5.982 -3.972 -25.966 103 HA ARG 15 HA ARG 15 4.472 -5.558 -26.497 104 HB2 ARG 15 2HB ARG 15 5.545 -6.828 -23.972 105 HB3 ARG 15 1HB ARG 15 4.422 -7.631 -25.060 106 HG2 ARG 15 2HG ARG 15 6.029 -7.500 -26.868 107 HG3 ARG 15 1HG ARG 15 7.146 -6.614 -25.826 108 HD2 ARG 15 2HD ARG 15 7.401 -8.522 -24.390 109 HD3 ARG 15 1HD ARG 15 6.144 -9.403 -25.259 110 HE ARG 15 HE ARG 15 7.973 -8.843 -27.186 111 HH11 ARG 15 1HH1 ARG 15 8.240 -10.359 -24.023 112 HH12 ARG 15 2HH1 ARG 15 9.523 -11.418 -24.539 113 HH21 ARG 15 1HH2 ARG 15 9.661 -10.210 -27.814 114 HH22 ARG 15 2HH2 ARG 15 10.339 -11.325 -26.657 115 H LEU 16 H LEU 16 3.730 -3.252 -24.822 116 HA LEU 16 HA LEU 16 1.406 -4.306 -23.380 117 HB2 LEU 16 2HB LEU 16 2.520 -1.499 -23.531 118 HB3 LEU 16 1HB LEU 16 1.121 -1.974 -22.590 119 HG LEU 16 HG LEU 16 3.936 -2.958 -22.148 120 HD11 LEU 16 1HD1 LEU 16 3.680 -0.635 -21.499 121 HD12 LEU 16 2HD1 LEU 16 3.809 -1.659 -20.069 122 HD13 LEU 16 3HD1 LEU 16 2.237 -1.033 -20.569 123 HD21 LEU 16 3HD2 LEU 16 2.997 -3.939 -20.092 124 HD22 LEU 16 1HD2 LEU 16 2.318 -4.655 -21.553 125 HD23 LEU 16 2HD2 LEU 16 1.381 -3.478 -20.630 126 H TRP 17 H TRP 17 2.018 -3.828 -26.400 127 HA TRP 17 HA TRP 17 -0.718 -2.982 -26.984 128 HB2 TRP 17 2HB TRP 17 0.792 -1.046 -27.406 129 HB3 TRP 17 1HB TRP 17 1.703 -2.035 -28.540 130 HD1 TRP 17 HD TRP 17 -1.740 -0.387 -28.136 131 HE1 TRP 17 1HE TRP 17 -2.780 -0.069 -30.478 132 HE3 TRP 17 3HE TRP 17 1.777 -2.843 -30.910 133 HZ2 TRP 17 2HZ TRP 17 -2.168 -0.774 -33.137 134 HZ3 TRP 17 3HZ TRP 17 1.480 -2.969 -33.345 135 HH2 TRP 17 HH TRP 17 -0.454 -1.958 -34.436 136 H ALA 18 H ALA 18 2.224 -4.101 -28.653 137 HA ALA 18 HA ALA 18 0.632 -6.023 -30.156 138 HB1 ALA 18 3HB ALA 18 2.331 -4.753 -31.363 139 HB2 ALA 18 1HB ALA 18 2.716 -6.474 -31.369 140 HB3 ALA 18 2HB ALA 18 3.580 -5.382 -30.287 141 H LEU 19 H LEU 19 0.651 -8.191 -29.803 142 HA LEU 19 HA LEU 19 0.952 -10.182 -28.741 143 HB2 LEU 19 2HB LEU 19 3.650 -9.023 -28.013 144 HB3 LEU 19 1HB LEU 19 3.186 -10.702 -27.810 145 HG LEU 19 HG LEU 19 3.416 -9.250 -30.451 146 HD11 LEU 19 1HD1 LEU 19 5.575 -9.666 -29.395 147 HD12 LEU 19 2HD1 LEU 19 5.354 -10.692 -30.811 148 HD13 LEU 19 3HD1 LEU 19 5.158 -11.366 -29.193 149 HD21 LEU 19 3HD2 LEU 19 1.688 -10.955 -30.526 150 HD22 LEU 19 1HD2 LEU 19 2.788 -12.135 -29.813 151 HD23 LEU 19 2HD2 LEU 19 3.106 -11.494 -31.425 152 H SER 20 H SER 20 -0.213 -7.894 -27.368 153 HA SER 20 HA SER 20 0.573 -8.224 -24.594 154 HB2 SER 20 2HB SER 20 0.104 -5.962 -25.426 155 HB3 SER 20 1HB SER 20 -1.536 -6.449 -25.849 156 HG SER 20 HG SER 20 -1.632 -7.055 -23.492 157 H LEU 21 H LEU 21 -1.426 -9.809 -26.704 158 HA LEU 21 HA LEU 21 -3.028 -11.392 -26.472 159 HB2 LEU 21 2HB LEU 21 -2.203 -11.121 -23.603 160 HB3 LEU 21 1HB LEU 21 -3.565 -12.128 -24.046 161 HG LEU 21 HG LEU 21 -1.668 -13.545 -23.837 162 HD11 LEU 21 1HD1 LEU 21 -1.527 -14.514 -26.059 163 HD12 LEU 21 2HD1 LEU 21 -2.173 -13.031 -26.767 164 HD13 LEU 21 3HD1 LEU 21 -3.179 -14.017 -25.702 165 HD21 LEU 21 3HD2 LEU 21 -0.239 -11.722 -25.777 166 HD22 LEU 21 1HD2 LEU 21 0.400 -13.214 -25.086 167 HD23 LEU 21 2HD2 LEU 21 0.075 -11.828 -24.047 168 H ALA 22 H ALA 22 -5.144 -11.803 -24.956 169 HA ALA 22 HA ALA 22 -6.493 -9.271 -24.429 170 HB1 ALA 22 3HB ALA 22 -7.552 -11.325 -26.366 171 HB2 ALA 22 1HB ALA 22 -6.960 -9.720 -26.785 172 HB3 ALA 22 2HB ALA 22 -8.421 -9.896 -25.813 173 H HIS 23 H HIS 23 -7.105 -12.760 -24.767 174 HA HIS 23 HA HIS 23 -8.725 -12.882 -22.421 175 HB2 HIS 23 2HB HIS 23 -8.650 -15.328 -22.744 176 HB3 HIS 23 1HB HIS 23 -9.124 -14.480 -24.207 177 HD1 HIS 23 1HD HIS 23 -7.850 -15.021 -26.277 178 HD2 HIS 23 2HD HIS 23 -5.877 -16.300 -22.839 179 HE1 HIS 23 1HE HIS 23 -5.876 -16.354 -27.079 180 HE2 HIS 23 2HE HIS 23 -4.605 -16.977 -24.989 181 H ALA 24 H ALA 24 -8.197 -13.618 -20.394 182 HA ALA 24 HA ALA 24 -5.376 -13.547 -19.698 183 HB1 ALA 24 3HB ALA 24 -6.167 -13.754 -17.379 184 HB2 ALA 24 1HB ALA 24 -7.816 -13.949 -17.968 185 HB3 ALA 24 2HB ALA 24 -6.960 -12.428 -18.232 186 H GLN 25 H GLN 25 -7.897 -15.854 -20.214 187 HA GLN 25 HA GLN 25 -6.056 -18.019 -19.496 188 HB2 GLN 25 2HB GLN 25 -8.054 -18.080 -18.137 189 HB3 GLN 25 1HB GLN 25 -9.071 -17.964 -19.565 190 HG2 GLN 25 2HG GLN 25 -8.363 -20.155 -20.293 191 HG3 GLN 25 1HG GLN 25 -7.234 -20.268 -18.947 192 HE21 GLN 25 1HE2 GLN 25 -8.168 -22.124 -18.161 193 HE22 GLN 25 2HE2 GLN 25 -9.710 -22.118 -17.349
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