NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622217 | 5ykq | 36126 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 -2.302 -5.812 -4.348 2 HA CYS 1 HA CYS 1 -4.860 -5.173 -3.110 3 HB2 CYS 1 2HB CYS 1 -2.358 -6.313 -2.225 4 HB3 CYS 1 3HB CYS 1 -2.816 -4.964 -1.193 5 HG CYS 1 HG CYS 1 -4.239 -6.498 0.289 6 H PHE 2 H PHE 2 -1.625 -3.788 -2.591 7 HA PHE 2 HA PHE 2 -2.815 -1.177 -2.172 8 HB2 PHE 2 2HB PHE 2 -0.785 -2.357 -0.912 9 HB3 PHE 2 3HB PHE 2 0.139 -1.561 -2.181 10 HD1 PHE 2 HD1 PHE 2 -2.339 -0.918 0.504 11 HD2 PHE 2 HD2 PHE 2 0.707 0.688 -1.998 12 HE1 PHE 2 HE1 PHE 2 -2.396 1.181 1.787 13 HE2 PHE 2 HE2 PHE 2 0.656 2.788 -0.718 14 HZ PHE 2 HZ PHE 2 -0.896 3.036 1.178 15 H LEU 3 H LEU 3 -2.327 -2.710 -4.868 16 HA LEU 3 HA LEU 3 -1.220 -0.374 -6.284 17 HB2 LEU 3 2HB LEU 3 0.072 -2.644 -6.253 18 HB3 LEU 3 3HB LEU 3 -1.131 -3.124 -7.448 19 HG LEU 3 HG LEU 3 -0.397 -1.076 -8.775 20 HD11 LEU 3 1HD1 LEU 3 1.085 -0.579 -6.475 21 HD12 LEU 3 2HD1 LEU 3 1.215 0.252 -8.025 22 HD13 LEU 3 3HD1 LEU 3 2.267 -1.118 -7.668 23 HD21 LEU 3 1HD2 LEU 3 0.351 -3.640 -8.906 24 HD22 LEU 3 2HD2 LEU 3 1.920 -2.904 -8.579 25 HD23 LEU 3 3HD2 LEU 3 0.985 -2.399 -9.987 26 HA PRO 4 HA PRO 4 -5.622 -1.088 -7.611 27 HB2 PRO 4 2HB PRO 4 -6.351 1.520 -7.423 28 HB3 PRO 4 3HB PRO 4 -6.424 0.401 -6.056 29 HG2 PRO 4 2HG PRO 4 -4.333 2.434 -6.731 30 HG3 PRO 4 3HG PRO 4 -5.054 2.051 -5.157 31 HD2 PRO 4 2HD PRO 4 -2.622 1.127 -5.909 32 HD3 PRO 4 3HD PRO 4 -3.708 0.206 -4.848 33 H LYS 5 H LYS 5 -6.608 -0.445 -9.571 34 HA LYS 5 HA LYS 5 -4.811 0.971 -11.430 35 HB2 LYS 5 2HB LYS 5 -6.348 -0.503 -13.096 36 HB3 LYS 5 3HB LYS 5 -4.792 -1.037 -12.474 37 HG2 LYS 5 2HG LYS 5 -5.733 -2.523 -11.003 38 HG3 LYS 5 3HG LYS 5 -7.255 -1.634 -10.909 39 HD2 LYS 5 2HD LYS 5 -7.631 -3.670 -12.126 40 HD3 LYS 5 3HD LYS 5 -7.729 -2.316 -13.254 41 HE2 LYS 5 2HE LYS 5 -5.077 -2.970 -13.368 42 HE3 LYS 5 3HE LYS 5 -5.835 -4.546 -13.141 43 HZ1 LYS 5 1HZ LYS 5 -6.065 -2.680 -15.385 44 HZ2 LYS 5 2HZ LYS 5 -7.404 -3.644 -15.015 45 HZ3 LYS 5 3HZ LYS 5 -5.922 -4.365 -15.395 46 H LEU 6 H LEU 6 -6.818 2.205 -9.789 47 HA LEU 6 HA LEU 6 -9.284 2.668 -10.816 48 HB2 LEU 6 2HB LEU 6 -7.490 4.911 -9.923 49 HB3 LEU 6 3HB LEU 6 -9.246 4.825 -9.813 50 HG LEU 6 HG LEU 6 -8.138 2.645 -8.347 51 HD11 LEU 6 1HD1 LEU 6 -6.872 3.845 -6.655 52 HD12 LEU 6 2HD1 LEU 6 -7.016 5.337 -7.583 53 HD13 LEU 6 3HD1 LEU 6 -6.091 3.983 -8.231 54 HD21 LEU 6 1HD2 LEU 6 -9.824 5.046 -7.838 55 HD22 LEU 6 2HD2 LEU 6 -9.189 4.145 -6.461 56 HD23 LEU 6 3HD2 LEU 6 -10.208 3.335 -7.651 57 H PHE 7 H PHE 7 -6.236 3.937 -12.047 58 HA PHE 7 HA PHE 7 -7.690 4.921 -14.413 59 HB2 PHE 7 2HB PHE 7 -6.396 6.552 -12.703 60 HB3 PHE 7 3HB PHE 7 -5.060 6.131 -13.770 61 HD1 PHE 7 HD1 PHE 7 -4.761 7.282 -15.754 62 HD2 PHE 7 HD2 PHE 7 -8.557 7.394 -13.831 63 HE1 PHE 7 HE1 PHE 7 -5.532 8.958 -17.381 64 HE2 PHE 7 HE2 PHE 7 -9.334 9.070 -15.456 65 HZ PHE 7 HZ PHE 7 -7.822 9.853 -17.235 66 H ALA 8 H ALA 8 -5.481 2.722 -13.241 67 HA ALA 8 HA ALA 8 -3.640 2.625 -15.417 68 HB1 ALA 8 1HB ALA 8 -3.657 1.568 -12.925 69 HB2 ALA 8 2HB ALA 8 -4.066 0.150 -13.892 70 HB3 ALA 8 3HB ALA 8 -2.581 1.044 -14.221 71 H LYS 9 H LYS 9 -6.766 1.224 -14.774 72 HA LYS 9 HA LYS 9 -6.575 -0.622 -17.009 73 HB2 LYS 9 2HB LYS 9 -8.918 -1.213 -16.366 74 HB3 LYS 9 3HB LYS 9 -7.742 -1.437 -15.078 75 HG2 LYS 9 2HG LYS 9 -8.822 -0.035 -13.742 76 HG3 LYS 9 3HG LYS 9 -8.890 1.209 -14.992 77 HD2 LYS 9 2HD LYS 9 -10.775 -1.135 -14.744 78 HD3 LYS 9 3HD LYS 9 -11.130 0.523 -14.253 79 HE2 LYS 9 2HE LYS 9 -10.324 0.906 -16.810 80 HE3 LYS 9 3HE LYS 9 -11.059 -0.691 -16.933 81 HZ1 LYS 9 1HZ LYS 9 -12.421 1.597 -17.107 82 HZ2 LYS 9 2HZ LYS 9 -12.597 1.270 -15.457 83 HZ3 LYS 9 3HZ LYS 9 -13.105 0.134 -16.602 84 H ILE 10 H ILE 10 -8.090 2.436 -16.200 85 HA ILE 10 HA ILE 10 -9.760 2.568 -18.505 86 HB ILE 10 HB ILE 10 -10.337 4.724 -17.842 87 HG12 ILE 10 2HG1 ILE 10 -8.710 5.817 -16.009 88 HG13 ILE 10 3HG1 ILE 10 -7.527 4.846 -16.879 89 HG21 ILE 10 1HG2 ILE 10 -10.383 2.734 -16.007 90 HG22 ILE 10 2HG2 ILE 10 -9.525 3.990 -15.117 91 HG23 ILE 10 3HG2 ILE 10 -11.127 4.316 -15.777 92 HD11 ILE 10 1HD1 ILE 10 -8.758 6.015 -18.949 93 HD12 ILE 10 2HD1 ILE 10 -8.989 7.257 -17.718 94 HD13 ILE 10 3HD1 ILE 10 -7.363 6.709 -18.124 95 H THR 11 H THR 11 -6.444 3.359 -17.849 96 HA THR 11 HA THR 11 -6.131 4.968 -20.235 97 HB THR 11 HB THR 11 -3.675 4.876 -19.613 98 HG1 THR 11 HG1 THR 11 -3.603 3.030 -18.355 99 HG21 THR 11 1HG2 THR 11 -5.072 6.765 -18.980 100 HG22 THR 11 2HG2 THR 11 -3.941 6.386 -17.681 101 HG23 THR 11 3HG2 THR 11 -5.630 5.898 -17.550 102 H LYS 12 H LYS 12 -5.820 4.147 -22.188 103 HA LYS 12 HA LYS 12 -4.571 1.488 -22.418 104 HB2 LYS 12 2HB LYS 12 -5.911 1.286 -24.562 105 HB3 LYS 12 3HB LYS 12 -6.832 1.203 -23.065 106 HG2 LYS 12 2HG LYS 12 -6.527 3.842 -24.401 107 HG3 LYS 12 3HG LYS 12 -7.643 2.661 -25.090 108 HD2 LYS 12 2HD LYS 12 -8.469 2.467 -22.604 109 HD3 LYS 12 3HD LYS 12 -7.746 4.071 -22.462 110 HE2 LYS 12 2HE LYS 12 -9.862 3.235 -24.443 111 HE3 LYS 12 3HE LYS 12 -10.115 4.228 -23.009 112 HZ1 LYS 12 1HZ LYS 12 -9.922 5.797 -24.655 113 HZ2 LYS 12 2HZ LYS 12 -8.771 4.920 -25.531 114 HZ3 LYS 12 3HZ LYS 12 -8.323 5.718 -24.108 115 H LYS 13 H LYS 13 -3.588 4.390 -22.574 116 HA LYS 13 HA LYS 13 -2.271 4.147 -25.201 117 HB2 LYS 13 2HB LYS 13 -1.946 6.767 -24.617 118 HB3 LYS 13 3HB LYS 13 -3.283 6.137 -25.571 119 HG2 LYS 13 2HG LYS 13 -4.797 6.365 -23.849 120 HG3 LYS 13 3HG LYS 13 -3.546 6.331 -22.604 121 HD2 LYS 13 2HD LYS 13 -4.116 8.564 -22.615 122 HD3 LYS 13 3HD LYS 13 -2.760 8.548 -23.746 123 HE2 LYS 13 2HE LYS 13 -5.427 8.067 -24.912 124 HE3 LYS 13 3HE LYS 13 -5.147 9.686 -24.272 125 HZ1 LYS 13 1HZ LYS 13 -4.075 8.439 -26.628 126 HZ2 LYS 13 2HZ LYS 13 -2.889 9.178 -25.676 127 HZ3 LYS 13 3HZ LYS 13 -4.204 10.080 -26.238 128 H ASN 14 H ASN 14 -1.623 6.219 -22.394 129 HA ASN 14 HA ASN 14 1.127 6.122 -22.528 130 HB2 ASN 14 2HB ASN 14 -0.844 7.024 -20.635 131 HB3 ASN 14 3HB ASN 14 0.493 6.261 -19.779 132 HD21 ASN 14 1HD2 ASN 14 0.113 8.375 -22.609 133 HD22 ASN 14 2HD2 ASN 14 1.321 9.513 -22.130 134 H MET 15 H MET 15 -1.081 3.767 -21.228 135 HA MET 15 HA MET 15 0.665 2.301 -19.606 136 HB2 MET 15 2HB MET 15 -1.837 2.039 -19.759 137 HB3 MET 15 3HB MET 15 -1.588 1.154 -21.258 138 HG2 MET 15 2HG MET 15 -1.417 -0.689 -20.051 139 HG3 MET 15 3HG MET 15 0.105 -0.064 -19.420 140 HE1 MET 15 1HE MET 15 0.645 0.612 -17.515 141 HE2 MET 15 2HE MET 15 -0.356 1.583 -16.436 142 HE3 MET 15 3HE MET 15 -0.107 -0.132 -16.104 143 H ALA 16 H ALA 16 -0.229 1.756 -23.014 144 HA ALA 16 HA ALA 16 1.727 -0.309 -23.357 145 HB1 ALA 16 1HB ALA 16 -0.075 -0.601 -24.765 146 HB2 ALA 16 2HB ALA 16 -0.180 1.115 -25.161 147 HB3 ALA 16 3HB ALA 16 1.110 0.128 -25.849 148 H HIS 17 H HIS 17 2.102 2.908 -22.969 149 HA HIS 17 HA HIS 17 4.303 3.137 -24.901 150 HB2 HIS 17 2HB HIS 17 2.323 4.982 -23.931 151 HB3 HIS 17 3HB HIS 17 3.932 5.595 -23.559 152 HD1 HIS 17 HD1 HIS 17 1.805 4.547 -26.494 153 HD2 HIS 17 HD2 HIS 17 5.325 6.607 -25.703 154 HE1 HIS 17 HE1 HIS 17 2.482 5.586 -28.682 155 H ILE 18 H ILE 18 3.617 2.696 -21.592 156 HA ILE 18 HA ILE 18 5.714 3.930 -20.285 157 HB ILE 18 HB ILE 18 5.483 2.303 -18.531 158 HG12 ILE 18 2HG1 ILE 18 4.240 0.629 -20.696 159 HG13 ILE 18 3HG1 ILE 18 5.538 0.208 -19.584 160 HG21 ILE 18 1HG2 ILE 18 2.722 2.534 -19.673 161 HG22 ILE 18 2HG2 ILE 18 3.239 2.634 -17.991 162 HG23 ILE 18 3HG2 ILE 18 3.601 3.953 -19.104 163 HD11 ILE 18 1HD1 ILE 18 2.610 0.459 -18.963 164 HD12 ILE 18 2HD1 ILE 18 3.598 -1.002 -18.945 165 HD13 ILE 18 3HD1 ILE 18 3.863 0.257 -17.739 166 H ARG 19 H ARG 19 5.693 0.863 -22.037 167 HA ARG 19 HA ARG 19 8.589 0.989 -22.250 168 HB2 ARG 19 2HB ARG 19 7.363 -0.673 -20.334 169 HB3 ARG 19 3HB ARG 19 7.866 -1.732 -21.644 170 HG2 ARG 19 2HG ARG 19 9.747 -1.751 -20.359 171 HG3 ARG 19 3HG ARG 19 10.117 -0.396 -21.428 172 HD2 ARG 19 2HD ARG 19 9.731 1.178 -19.785 173 HD3 ARG 19 3HD ARG 19 8.683 0.104 -18.858 174 HE ARG 19 HE ARG 19 11.493 0.398 -18.573 175 HH11 ARG 19 1HH1 ARG 19 8.924 -1.946 -18.418 176 HH12 ARG 19 2HH1 ARG 19 9.756 -2.976 -17.300 177 HH21 ARG 19 1HH2 ARG 19 12.598 -0.950 -17.102 178 HH22 ARG 19 2HH2 ARG 19 11.845 -2.408 -16.551 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.807 0.001 0.855 2 HA CYS 1 HA CYS 1 2.583 0.958 -1.329 3 HB2 CYS 1 2HB CYS 1 2.994 -1.721 -0.342 4 HB3 CYS 1 3HB CYS 1 3.057 -1.708 -2.101 5 HG CYS 1 HG CYS 1 5.612 -1.307 -1.856 6 H PHE 2 H PHE 2 0.918 -2.120 -1.977 7 HA PHE 2 HA PHE 2 0.366 -1.657 -4.639 8 HB2 PHE 2 2HB PHE 2 -1.384 -3.214 -2.725 9 HB3 PHE 2 3HB PHE 2 -1.311 -3.408 -4.474 10 HD1 PHE 2 HD1 PHE 2 1.022 -4.031 -5.446 11 HD2 PHE 2 HD2 PHE 2 -0.107 -4.578 -1.378 12 HE1 PHE 2 HE1 PHE 2 2.792 -5.721 -5.185 13 HE2 PHE 2 HE2 PHE 2 1.661 -6.267 -1.111 14 HZ PHE 2 HZ PHE 2 3.114 -6.840 -3.015 15 H LEU 3 H LEU 3 -1.365 -0.830 -5.792 16 HA LEU 3 HA LEU 3 -3.459 0.564 -4.290 17 HB2 LEU 3 2HB LEU 3 -3.131 2.409 -6.126 18 HB3 LEU 3 3HB LEU 3 -2.183 2.418 -4.640 19 HG LEU 3 HG LEU 3 -0.306 1.386 -5.859 20 HD11 LEU 3 1HD1 LEU 3 -1.403 0.180 -7.583 21 HD12 LEU 3 2HD1 LEU 3 -0.431 1.426 -8.365 22 HD13 LEU 3 3HD1 LEU 3 -2.174 1.640 -8.204 23 HD21 LEU 3 1HD2 LEU 3 -0.172 3.721 -5.665 24 HD22 LEU 3 2HD2 LEU 3 -1.448 3.980 -6.854 25 HD23 LEU 3 3HD2 LEU 3 0.132 3.390 -7.370 26 HA PRO 4 HA PRO 4 -6.216 -0.918 -7.364 27 HB2 PRO 4 2HB PRO 4 -7.975 1.136 -7.602 28 HB3 PRO 4 3HB PRO 4 -7.915 0.082 -6.184 29 HG2 PRO 4 2HG PRO 4 -6.749 2.812 -6.565 30 HG3 PRO 4 3HG PRO 4 -7.612 2.150 -5.165 31 HD2 PRO 4 2HD PRO 4 -4.913 2.345 -5.254 32 HD3 PRO 4 3HD PRO 4 -5.748 1.044 -4.380 33 H LYS 5 H LYS 5 -7.327 -0.270 -9.477 34 HA LYS 5 HA LYS 5 -5.491 1.395 -11.072 35 HB2 LYS 5 2HB LYS 5 -6.612 -0.233 -12.928 36 HB3 LYS 5 3HB LYS 5 -5.082 -0.562 -12.126 37 HG2 LYS 5 2HG LYS 5 -5.985 -2.180 -10.766 38 HG3 LYS 5 3HG LYS 5 -7.617 -1.519 -10.884 39 HD2 LYS 5 2HD LYS 5 -7.438 -3.615 -12.115 40 HD3 LYS 5 3HD LYS 5 -7.748 -2.269 -13.213 41 HE2 LYS 5 2HE LYS 5 -5.594 -2.305 -14.068 42 HE3 LYS 5 3HE LYS 5 -4.941 -3.138 -12.659 43 HZ1 LYS 5 1HZ LYS 5 -6.561 -4.277 -14.858 44 HZ2 LYS 5 2HZ LYS 5 -6.327 -5.092 -13.394 45 HZ3 LYS 5 3HZ LYS 5 -5.000 -4.717 -14.374 46 H LEU 6 H LEU 6 -7.803 2.380 -9.726 47 HA LEU 6 HA LEU 6 -10.166 2.544 -11.052 48 HB2 LEU 6 2HB LEU 6 -9.037 3.900 -8.997 49 HB3 LEU 6 3HB LEU 6 -9.115 5.165 -10.222 50 HG LEU 6 HG LEU 6 -11.537 3.551 -9.488 51 HD11 LEU 6 1HD1 LEU 6 -11.940 5.828 -8.139 52 HD12 LEU 6 2HD1 LEU 6 -10.195 5.677 -7.940 53 HD13 LEU 6 3HD1 LEU 6 -11.259 4.376 -7.404 54 HD21 LEU 6 1HD2 LEU 6 -11.011 6.180 -10.841 55 HD22 LEU 6 2HD2 LEU 6 -12.595 5.766 -10.185 56 HD23 LEU 6 3HD2 LEU 6 -11.881 4.775 -11.458 57 H PHE 7 H PHE 7 -7.164 4.182 -11.908 58 HA PHE 7 HA PHE 7 -8.420 4.995 -14.446 59 HB2 PHE 7 2HB PHE 7 -7.550 6.760 -12.610 60 HB3 PHE 7 3HB PHE 7 -6.049 6.500 -13.492 61 HD1 PHE 7 HD1 PHE 7 -5.630 7.690 -15.428 62 HD2 PHE 7 HD2 PHE 7 -9.633 7.341 -14.023 63 HE1 PHE 7 HE1 PHE 7 -6.373 9.271 -17.161 64 HE2 PHE 7 HE2 PHE 7 -10.382 8.919 -15.754 65 HZ PHE 7 HZ PHE 7 -8.752 9.886 -17.327 66 H ALA 8 H ALA 8 -6.105 3.089 -12.978 67 HA ALA 8 HA ALA 8 -4.032 3.209 -14.933 68 HB1 ALA 8 1HB ALA 8 -4.237 2.147 -12.431 69 HB2 ALA 8 2HB ALA 8 -4.277 0.703 -13.443 70 HB3 ALA 8 3HB ALA 8 -2.923 1.826 -13.564 71 H LYS 9 H LYS 9 -7.026 1.466 -14.638 72 HA LYS 9 HA LYS 9 -6.349 -0.379 -16.781 73 HB2 LYS 9 2HB LYS 9 -8.624 -1.281 -16.396 74 HB3 LYS 9 3HB LYS 9 -7.641 -1.264 -14.937 75 HG2 LYS 9 2HG LYS 9 -9.146 -0.037 -13.877 76 HG3 LYS 9 3HG LYS 9 -9.113 1.187 -15.149 77 HD2 LYS 9 2HD LYS 9 -11.344 0.443 -15.065 78 HD3 LYS 9 3HD LYS 9 -10.640 -0.370 -16.465 79 HE2 LYS 9 2HE LYS 9 -10.109 -2.170 -14.518 80 HE3 LYS 9 3HE LYS 9 -11.613 -1.477 -13.914 81 HZ1 LYS 9 1HZ LYS 9 -11.517 -2.226 -16.735 82 HZ2 LYS 9 2HZ LYS 9 -12.800 -2.314 -15.636 83 HZ3 LYS 9 3HZ LYS 9 -11.578 -3.483 -15.605 84 H ILE 10 H ILE 10 -8.262 2.504 -16.242 85 HA ILE 10 HA ILE 10 -9.651 2.402 -18.736 86 HB ILE 10 HB ILE 10 -10.576 4.466 -18.193 87 HG12 ILE 10 2HG1 ILE 10 -9.339 5.782 -16.211 88 HG13 ILE 10 3HG1 ILE 10 -7.943 4.960 -16.901 89 HG21 ILE 10 1HG2 ILE 10 -10.008 3.863 -15.373 90 HG22 ILE 10 2HG2 ILE 10 -11.548 3.987 -16.221 91 HG23 ILE 10 3HG2 ILE 10 -10.598 2.505 -16.331 92 HD11 ILE 10 1HD1 ILE 10 -7.841 6.758 -18.222 93 HD12 ILE 10 2HD1 ILE 10 -9.122 5.952 -19.128 94 HD13 ILE 10 3HD1 ILE 10 -9.527 7.190 -17.939 95 H THR 11 H THR 11 -6.569 3.604 -17.684 96 HA THR 11 HA THR 11 -6.156 5.225 -20.047 97 HB THR 11 HB THR 11 -3.810 5.455 -19.117 98 HG1 THR 11 HG1 THR 11 -3.323 4.493 -17.247 99 HG21 THR 11 1HG2 THR 11 -6.113 6.223 -17.318 100 HG22 THR 11 2HG2 THR 11 -5.528 7.141 -18.706 101 HG23 THR 11 3HG2 THR 11 -4.503 6.939 -17.285 102 H LYS 12 H LYS 12 -5.478 4.446 -21.924 103 HA LYS 12 HA LYS 12 -3.910 1.950 -21.931 104 HB2 LYS 12 2HB LYS 12 -4.904 1.494 -24.164 105 HB3 LYS 12 3HB LYS 12 -6.090 1.513 -22.866 106 HG2 LYS 12 2HG LYS 12 -7.265 2.844 -24.212 107 HG3 LYS 12 3HG LYS 12 -6.138 4.108 -23.712 108 HD2 LYS 12 2HD LYS 12 -4.870 3.914 -25.662 109 HD3 LYS 12 3HD LYS 12 -5.512 2.311 -26.031 110 HE2 LYS 12 2HE LYS 12 -7.614 4.294 -25.897 111 HE3 LYS 12 3HE LYS 12 -6.375 4.748 -27.067 112 HZ1 LYS 12 1HZ LYS 12 -7.985 3.443 -28.189 113 HZ2 LYS 12 2HZ LYS 12 -7.953 2.238 -27.004 114 HZ3 LYS 12 3HZ LYS 12 -6.613 2.470 -28.011 115 H LYS 13 H LYS 13 -3.255 4.952 -21.997 116 HA LYS 13 HA LYS 13 -1.725 4.994 -24.507 117 HB2 LYS 13 2HB LYS 13 -1.700 7.439 -22.902 118 HB3 LYS 13 3HB LYS 13 -2.059 7.217 -24.609 119 HG2 LYS 13 2HG LYS 13 -4.321 6.322 -23.838 120 HG3 LYS 13 3HG LYS 13 -3.916 7.012 -22.265 121 HD2 LYS 13 2HD LYS 13 -5.089 8.738 -23.260 122 HD3 LYS 13 3HD LYS 13 -3.418 9.167 -23.638 123 HE2 LYS 13 2HE LYS 13 -3.963 9.198 -25.790 124 HE3 LYS 13 3HE LYS 13 -4.279 7.465 -25.700 125 HZ1 LYS 13 1HZ LYS 13 -6.276 8.260 -26.447 126 HZ2 LYS 13 2HZ LYS 13 -6.173 9.706 -25.576 127 HZ3 LYS 13 3HZ LYS 13 -6.558 8.264 -24.779 128 H ASN 14 H ASN 14 -1.216 6.404 -21.274 129 HA ASN 14 HA ASN 14 1.588 6.286 -21.416 130 HB2 ASN 14 2HB ASN 14 -0.399 7.124 -19.512 131 HB3 ASN 14 3HB ASN 14 0.855 6.202 -18.688 132 HD21 ASN 14 1HD2 ASN 14 2.419 7.404 -17.921 133 HD22 ASN 14 2HD2 ASN 14 3.010 8.876 -18.606 134 H MET 15 H MET 15 -0.737 3.870 -20.758 135 HA MET 15 HA MET 15 0.666 2.163 -19.045 136 HB2 MET 15 2HB MET 15 -1.748 1.962 -19.748 137 HB3 MET 15 3HB MET 15 -1.180 1.289 -21.270 138 HG2 MET 15 2HG MET 15 -1.221 -0.706 -20.324 139 HG3 MET 15 3HG MET 15 0.114 -0.189 -19.296 140 HE1 MET 15 1HE MET 15 -1.320 -2.153 -17.082 141 HE2 MET 15 2HE MET 15 -2.980 -2.223 -17.673 142 HE3 MET 15 3HE MET 15 -1.634 -2.383 -18.803 143 H ALA 16 H ALA 16 0.498 2.118 -22.607 144 HA ALA 16 HA ALA 16 2.518 0.097 -22.828 145 HB1 ALA 16 1HB ALA 16 1.432 1.913 -24.976 146 HB2 ALA 16 2HB ALA 16 2.314 0.403 -25.211 147 HB3 ALA 16 3HB ALA 16 0.706 0.381 -24.487 148 H HIS 17 H HIS 17 2.748 3.224 -21.926 149 HA HIS 17 HA HIS 17 5.293 3.696 -23.317 150 HB2 HIS 17 2HB HIS 17 3.124 5.410 -22.528 151 HB3 HIS 17 3HB HIS 17 4.612 5.948 -21.753 152 HD1 HIS 17 HD1 HIS 17 3.073 5.451 -25.145 153 HD2 HIS 17 HD2 HIS 17 6.472 7.122 -23.438 154 HE1 HIS 17 HE1 HIS 17 4.184 6.749 -26.991 155 H ILE 18 H ILE 18 3.953 2.807 -20.313 156 HA ILE 18 HA ILE 18 5.716 3.825 -18.446 157 HB ILE 18 HB ILE 18 5.160 1.973 -17.018 158 HG12 ILE 18 2HG1 ILE 18 4.417 0.628 -19.601 159 HG13 ILE 18 3HG1 ILE 18 5.468 0.044 -18.316 160 HG21 ILE 18 1HG2 ILE 18 2.686 2.385 -18.657 161 HG22 ILE 18 2HG2 ILE 18 2.850 2.253 -16.907 162 HG23 ILE 18 3HG2 ILE 18 3.404 3.707 -17.737 163 HD11 ILE 18 1HD1 ILE 18 3.452 -0.151 -16.866 164 HD12 ILE 18 2HD1 ILE 18 2.470 0.237 -18.279 165 HD13 ILE 18 3HD1 ILE 18 3.459 -1.222 -18.266 166 H ARG 19 H ARG 19 6.108 1.032 -20.571 167 HA ARG 19 HA ARG 19 8.535 0.111 -19.442 168 HB2 ARG 19 2HB ARG 19 6.931 -0.452 -21.846 169 HB3 ARG 19 3HB ARG 19 8.656 -0.742 -22.031 170 HG2 ARG 19 2HG ARG 19 8.525 -2.126 -19.926 171 HG3 ARG 19 3HG ARG 19 6.770 -2.003 -20.064 172 HD2 ARG 19 2HD ARG 19 6.803 -3.735 -21.453 173 HD3 ARG 19 3HD ARG 19 7.706 -2.750 -22.603 174 HE ARG 19 HE ARG 19 9.415 -3.887 -20.633 175 HH11 ARG 19 1HH1 ARG 19 7.665 -4.612 -23.553 176 HH12 ARG 19 2HH1 ARG 19 8.731 -5.892 -24.029 177 HH21 ARG 19 1HH2 ARG 19 10.826 -5.569 -21.249 178 HH22 ARG 19 2HH2 ARG 19 10.528 -6.436 -22.717 Start of MODEL 3 1 H1 CYS 1 H CYS 1 2.090 -6.784 -9.180 2 HA CYS 1 HA CYS 1 1.209 -4.655 -9.323 3 HB2 CYS 1 2HB CYS 1 -0.784 -6.666 -8.786 4 HB3 CYS 1 3HB CYS 1 -1.308 -5.115 -8.140 5 HG CYS 1 HG CYS 1 -2.243 -5.796 -10.840 6 H PHE 2 H PHE 2 -0.467 -3.119 -7.973 7 HA PHE 2 HA PHE 2 -0.307 -3.060 -5.189 8 HB2 PHE 2 2HB PHE 2 2.163 -2.439 -6.351 9 HB3 PHE 2 3HB PHE 2 1.478 -0.886 -5.884 10 HD1 PHE 2 HD1 PHE 2 0.295 -1.027 -3.441 11 HD2 PHE 2 HD2 PHE 2 3.543 -3.411 -4.813 12 HE1 PHE 2 HE1 PHE 2 0.984 -1.422 -1.113 13 HE2 PHE 2 HE2 PHE 2 4.237 -3.810 -2.487 14 HZ PHE 2 HZ PHE 2 2.957 -2.816 -0.633 15 H LEU 3 H LEU 3 -1.589 -1.469 -4.371 16 HA LEU 3 HA LEU 3 -3.092 0.236 -4.320 17 HB2 LEU 3 2HB LEU 3 -0.917 1.184 -5.993 18 HB3 LEU 3 3HB LEU 3 -2.458 1.922 -6.423 19 HG LEU 3 HG LEU 3 -2.446 2.198 -3.707 20 HD11 LEU 3 1HD1 LEU 3 0.372 2.164 -4.688 21 HD12 LEU 3 2HD1 LEU 3 -0.302 1.547 -3.180 22 HD13 LEU 3 3HD1 LEU 3 -0.099 3.284 -3.409 23 HD21 LEU 3 1HD2 LEU 3 -2.754 3.816 -5.774 24 HD22 LEU 3 2HD2 LEU 3 -1.118 4.305 -5.330 25 HD23 LEU 3 3HD2 LEU 3 -2.427 4.436 -4.155 26 HA PRO 4 HA PRO 4 -6.274 -0.633 -7.212 27 HB2 PRO 4 2HB PRO 4 -7.670 1.694 -7.267 28 HB3 PRO 4 3HB PRO 4 -7.690 0.595 -5.883 29 HG2 PRO 4 2HG PRO 4 -6.106 3.103 -6.288 30 HG3 PRO 4 3HG PRO 4 -6.968 2.545 -4.842 31 HD2 PRO 4 2HD PRO 4 -4.288 2.287 -5.132 32 HD3 PRO 4 3HD PRO 4 -5.268 1.114 -4.228 33 H LYS 5 H LYS 5 -7.194 -0.083 -9.303 34 HA LYS 5 HA LYS 5 -5.392 1.593 -10.925 35 HB2 LYS 5 2HB LYS 5 -6.524 -0.098 -12.740 36 HB3 LYS 5 3HB LYS 5 -4.954 -0.345 -11.986 37 HG2 LYS 5 2HG LYS 5 -5.757 -1.949 -10.530 38 HG3 LYS 5 3HG LYS 5 -7.425 -1.389 -10.672 39 HD2 LYS 5 2HD LYS 5 -7.112 -3.516 -11.827 40 HD3 LYS 5 3HD LYS 5 -7.513 -2.230 -12.968 41 HE2 LYS 5 2HE LYS 5 -5.352 -2.144 -13.819 42 HE3 LYS 5 3HE LYS 5 -4.656 -2.918 -12.397 43 HZ1 LYS 5 1HZ LYS 5 -6.176 -4.167 -14.604 44 HZ2 LYS 5 2HZ LYS 5 -5.978 -4.946 -13.116 45 HZ3 LYS 5 3HZ LYS 5 -4.624 -4.546 -14.047 46 H LEU 6 H LEU 6 -7.649 2.643 -9.621 47 HA LEU 6 HA LEU 6 -10.051 2.731 -10.889 48 HB2 LEU 6 2HB LEU 6 -8.642 4.368 -9.073 49 HB3 LEU 6 3HB LEU 6 -9.290 5.430 -10.321 50 HG LEU 6 HG LEU 6 -10.953 3.483 -8.727 51 HD11 LEU 6 1HD1 LEU 6 -11.488 5.135 -7.225 52 HD12 LEU 6 2HD1 LEU 6 -11.027 6.436 -8.323 53 HD13 LEU 6 3HD1 LEU 6 -9.783 5.482 -7.515 54 HD21 LEU 6 1HD2 LEU 6 -12.325 3.889 -10.466 55 HD22 LEU 6 2HD2 LEU 6 -11.464 5.353 -10.944 56 HD23 LEU 6 3HD2 LEU 6 -12.624 5.405 -9.616 57 H PHE 7 H PHE 7 -7.090 4.381 -11.878 58 HA PHE 7 HA PHE 7 -8.400 5.026 -14.438 59 HB2 PHE 7 2HB PHE 7 -7.552 6.907 -12.712 60 HB3 PHE 7 3HB PHE 7 -6.052 6.633 -13.593 61 HD1 PHE 7 HD1 PHE 7 -5.682 7.703 -15.612 62 HD2 PHE 7 HD2 PHE 7 -9.654 7.388 -14.116 63 HE1 PHE 7 HE1 PHE 7 -6.476 9.170 -17.421 64 HE2 PHE 7 HE2 PHE 7 -10.455 8.854 -15.922 65 HZ PHE 7 HZ PHE 7 -8.865 9.747 -17.578 66 H ALA 8 H ALA 8 -5.999 3.276 -12.899 67 HA ALA 8 HA ALA 8 -3.955 3.338 -14.876 68 HB1 ALA 8 1HB ALA 8 -4.106 0.876 -13.326 69 HB2 ALA 8 2HB ALA 8 -2.817 2.075 -13.427 70 HB3 ALA 8 3HB ALA 8 -4.173 2.330 -12.330 71 H LYS 9 H LYS 9 -6.913 1.548 -14.496 72 HA LYS 9 HA LYS 9 -6.212 -0.365 -16.569 73 HB2 LYS 9 2HB LYS 9 -8.407 -1.346 -16.123 74 HB3 LYS 9 3HB LYS 9 -7.504 -1.128 -14.630 75 HG2 LYS 9 2HG LYS 9 -8.854 1.178 -14.650 76 HG3 LYS 9 3HG LYS 9 -9.987 0.173 -15.556 77 HD2 LYS 9 2HD LYS 9 -8.837 -0.493 -12.846 78 HD3 LYS 9 3HD LYS 9 -10.452 0.156 -13.139 79 HE2 LYS 9 2HE LYS 9 -9.387 -2.475 -14.163 80 HE3 LYS 9 3HE LYS 9 -10.502 -2.268 -12.813 81 HZ1 LYS 9 1HZ LYS 9 -10.989 -1.949 -15.689 82 HZ2 LYS 9 2HZ LYS 9 -11.900 -1.024 -14.605 83 HZ3 LYS 9 3HZ LYS 9 -11.939 -2.713 -14.516 84 H ILE 10 H ILE 10 -8.340 2.409 -16.101 85 HA ILE 10 HA ILE 10 -9.686 2.217 -18.582 86 HB ILE 10 HB ILE 10 -10.613 4.307 -18.133 87 HG12 ILE 10 2HG1 ILE 10 -9.368 5.700 -16.206 88 HG13 ILE 10 3HG1 ILE 10 -7.976 4.862 -16.881 89 HG21 ILE 10 1HG2 ILE 10 -10.595 2.420 -16.182 90 HG22 ILE 10 2HG2 ILE 10 -10.046 3.841 -15.294 91 HG23 ILE 10 3HG2 ILE 10 -11.585 3.880 -16.154 92 HD11 ILE 10 1HD1 ILE 10 -9.638 7.004 -18.024 93 HD12 ILE 10 2HD1 ILE 10 -7.917 6.669 -18.215 94 HD13 ILE 10 3HD1 ILE 10 -9.103 5.749 -19.141 95 H THR 11 H THR 11 -6.602 3.505 -17.645 96 HA THR 11 HA THR 11 -6.247 5.010 -20.092 97 HB THR 11 HB THR 11 -3.889 5.313 -19.216 98 HG1 THR 11 HG1 THR 11 -3.332 4.107 -17.579 99 HG21 THR 11 1HG2 THR 11 -5.625 6.995 -18.855 100 HG22 THR 11 2HG2 THR 11 -4.566 6.878 -17.449 101 HG23 THR 11 3HG2 THR 11 -6.167 6.139 -17.412 102 H LYS 12 H LYS 12 -5.592 4.148 -21.940 103 HA LYS 12 HA LYS 12 -3.998 1.670 -21.852 104 HB2 LYS 12 2HB LYS 12 -5.022 1.278 -24.179 105 HB3 LYS 12 3HB LYS 12 -6.043 1.000 -22.774 106 HG2 LYS 12 2HG LYS 12 -7.367 2.155 -24.342 107 HG3 LYS 12 3HG LYS 12 -6.933 3.334 -23.102 108 HD2 LYS 12 2HD LYS 12 -5.842 4.614 -24.574 109 HD3 LYS 12 3HD LYS 12 -4.990 3.230 -25.261 110 HE2 LYS 12 2HE LYS 12 -6.552 2.905 -26.892 111 HE3 LYS 12 3HE LYS 12 -7.871 3.535 -25.906 112 HZ1 LYS 12 1HZ LYS 12 -5.837 5.464 -26.647 113 HZ2 LYS 12 2HZ LYS 12 -7.521 5.621 -26.620 114 HZ3 LYS 12 3HZ LYS 12 -6.763 4.867 -27.931 115 H LYS 13 H LYS 13 -3.396 4.684 -22.089 116 HA LYS 13 HA LYS 13 -1.903 4.618 -24.619 117 HB2 LYS 13 2HB LYS 13 -1.865 7.131 -23.121 118 HB3 LYS 13 3HB LYS 13 -2.256 6.833 -24.810 119 HG2 LYS 13 2HG LYS 13 -4.495 5.956 -23.957 120 HG3 LYS 13 3HG LYS 13 -4.065 6.717 -22.423 121 HD2 LYS 13 2HD LYS 13 -5.272 8.389 -23.471 122 HD3 LYS 13 3HD LYS 13 -3.612 8.814 -23.895 123 HE2 LYS 13 2HE LYS 13 -4.052 7.347 -25.994 124 HE3 LYS 13 3HE LYS 13 -5.751 7.593 -25.595 125 HZ1 LYS 13 1HZ LYS 13 -5.533 9.906 -25.858 126 HZ2 LYS 13 2HZ LYS 13 -4.742 9.229 -27.191 127 HZ3 LYS 13 3HZ LYS 13 -3.843 9.838 -25.895 128 H ASN 14 H ASN 14 -1.340 6.172 -21.461 129 HA ASN 14 HA ASN 14 1.458 6.079 -21.650 130 HB2 ASN 14 2HB ASN 14 -0.502 6.950 -19.734 131 HB3 ASN 14 3HB ASN 14 0.782 6.074 -18.907 132 HD21 ASN 14 1HD2 ASN 14 0.451 8.456 -21.520 133 HD22 ASN 14 2HD2 ASN 14 1.740 9.473 -20.983 134 H MET 15 H MET 15 -0.816 3.654 -20.867 135 HA MET 15 HA MET 15 0.645 2.023 -19.130 136 HB2 MET 15 2HB MET 15 -1.779 1.765 -19.776 137 HB3 MET 15 3HB MET 15 -1.231 1.051 -21.287 138 HG2 MET 15 2HG MET 15 -1.224 -0.912 -20.277 139 HG3 MET 15 3HG MET 15 0.123 -0.343 -19.294 140 HE1 MET 15 1HE MET 15 -3.831 -1.703 -18.205 141 HE2 MET 15 2HE MET 15 -2.618 -2.132 -19.411 142 HE3 MET 15 3HE MET 15 -2.377 -2.576 -17.721 143 H ALA 16 H ALA 16 0.406 1.860 -22.684 144 HA ALA 16 HA ALA 16 2.451 -0.138 -22.882 145 HB1 ALA 16 1HB ALA 16 0.716 -0.091 -24.541 146 HB2 ALA 16 2HB ALA 16 1.121 1.569 -24.980 147 HB3 ALA 16 3HB ALA 16 2.257 0.264 -25.323 148 H HIS 17 H HIS 17 2.654 3.020 -22.086 149 HA HIS 17 HA HIS 17 5.163 3.482 -23.543 150 HB2 HIS 17 2HB HIS 17 2.985 5.190 -22.766 151 HB3 HIS 17 3HB HIS 17 4.479 5.774 -22.039 152 HD1 HIS 17 HD1 HIS 17 5.905 7.186 -23.495 153 HD2 HIS 17 HD2 HIS 17 3.251 4.866 -25.694 154 HE1 HIS 17 HE1 HIS 17 6.192 7.918 -25.884 155 H ILE 18 H ILE 18 3.896 2.672 -20.485 156 HA ILE 18 HA ILE 18 5.680 3.776 -18.688 157 HB ILE 18 HB ILE 18 5.181 1.964 -17.190 158 HG12 ILE 18 2HG1 ILE 18 4.407 0.525 -19.713 159 HG13 ILE 18 3HG1 ILE 18 5.492 -0.002 -18.432 160 HG21 ILE 18 1HG2 ILE 18 3.386 3.648 -17.930 161 HG22 ILE 18 2HG2 ILE 18 2.669 2.286 -18.791 162 HG23 ILE 18 3HG2 ILE 18 2.869 2.216 -17.040 163 HD11 ILE 18 1HD1 ILE 18 3.504 -1.295 -18.298 164 HD12 ILE 18 2HD1 ILE 18 3.507 -0.176 -16.935 165 HD13 ILE 18 3HD1 ILE 18 2.493 0.149 -18.340 166 H ARG 19 H ARG 19 6.072 0.921 -20.729 167 HA ARG 19 HA ARG 19 8.857 0.693 -19.806 168 HB2 ARG 19 2HB ARG 19 7.045 -1.271 -19.833 169 HB3 ARG 19 3HB ARG 19 7.624 -1.428 -21.486 170 HG2 ARG 19 2HG ARG 19 9.901 -1.720 -20.676 171 HG3 ARG 19 3HG ARG 19 9.341 -1.526 -19.014 172 HD2 ARG 19 2HD ARG 19 8.398 -3.684 -20.897 173 HD3 ARG 19 3HD ARG 19 9.674 -3.894 -19.699 174 HE ARG 19 HE ARG 19 6.858 -3.894 -19.226 175 HH11 ARG 19 1HH1 ARG 19 9.948 -3.131 -17.814 176 HH12 ARG 19 2HH1 ARG 19 9.401 -3.340 -16.184 177 HH21 ARG 19 1HH2 ARG 19 6.126 -4.173 -17.084 178 HH22 ARG 19 2HH2 ARG 19 7.227 -3.933 -15.769 Start of MODEL 4 1 H1 CYS 1 H CYS 1 -0.972 -3.254 -11.148 2 HA CYS 1 HA CYS 1 -1.970 -5.121 -10.071 3 HB2 CYS 1 2HB CYS 1 0.818 -5.839 -9.895 4 HB3 CYS 1 3HB CYS 1 0.037 -6.060 -8.334 5 HG CYS 1 HG CYS 1 -0.456 -8.494 -9.103 6 H PHE 2 H PHE 2 0.668 -4.006 -7.958 7 HA PHE 2 HA PHE 2 -0.848 -3.634 -5.684 8 HB2 PHE 2 2HB PHE 2 1.805 -3.154 -6.451 9 HB3 PHE 2 3HB PHE 2 1.210 -1.607 -5.857 10 HD1 PHE 2 HD1 PHE 2 1.791 -1.208 -3.684 11 HD2 PHE 2 HD2 PHE 2 0.787 -5.178 -4.844 12 HE1 PHE 2 HE1 PHE 2 2.131 -1.967 -1.368 13 HE2 PHE 2 HE2 PHE 2 1.124 -5.943 -2.531 14 HZ PHE 2 HZ PHE 2 1.796 -4.337 -0.789 15 H LEU 3 H LEU 3 -1.700 -1.761 -4.653 16 HA LEU 3 HA LEU 3 -2.950 0.134 -4.538 17 HB2 LEU 3 2HB LEU 3 -0.778 0.756 -6.356 18 HB3 LEU 3 3HB LEU 3 -2.230 1.686 -6.722 19 HG LEU 3 HG LEU 3 -2.088 2.081 -4.063 20 HD11 LEU 3 1HD1 LEU 3 0.177 0.729 -4.316 21 HD12 LEU 3 2HD1 LEU 3 0.011 2.074 -3.189 22 HD13 LEU 3 3HD1 LEU 3 0.787 2.325 -4.753 23 HD21 LEU 3 1HD2 LEU 3 -2.250 4.057 -5.106 24 HD22 LEU 3 2HD2 LEU 3 -1.251 3.535 -6.463 25 HD23 LEU 3 3HD2 LEU 3 -0.492 4.098 -4.973 26 HA PRO 4 HA PRO 4 -6.409 -0.324 -7.199 27 HB2 PRO 4 2HB PRO 4 -7.476 2.172 -7.211 28 HB3 PRO 4 3HB PRO 4 -7.552 1.102 -5.806 29 HG2 PRO 4 2HG PRO 4 -5.673 3.364 -6.365 30 HG3 PRO 4 3HG PRO 4 -6.503 2.946 -4.855 31 HD2 PRO 4 2HD PRO 4 -3.909 2.320 -5.313 32 HD3 PRO 4 3HD PRO 4 -4.976 1.303 -4.323 33 H LYS 5 H LYS 5 -7.270 0.138 -9.273 34 HA LYS 5 HA LYS 5 -5.466 1.691 -11.011 35 HB2 LYS 5 2HB LYS 5 -6.666 -0.015 -12.743 36 HB3 LYS 5 3HB LYS 5 -5.115 -0.324 -11.972 37 HG2 LYS 5 2HG LYS 5 -5.995 -1.856 -10.503 38 HG3 LYS 5 3HG LYS 5 -7.622 -1.178 -10.603 39 HD2 LYS 5 2HD LYS 5 -7.511 -3.337 -11.729 40 HD3 LYS 5 3HD LYS 5 -7.837 -2.045 -12.886 41 HE2 LYS 5 2HE LYS 5 -6.028 -2.588 -14.055 42 HE3 LYS 5 3HE LYS 5 -5.011 -2.395 -12.628 43 HZ1 LYS 5 1HZ LYS 5 -4.672 -4.572 -12.779 44 HZ2 LYS 5 2HZ LYS 5 -5.922 -4.789 -13.896 45 HZ3 LYS 5 3HZ LYS 5 -6.261 -4.786 -12.239 46 H LEU 6 H LEU 6 -7.713 2.787 -9.650 47 HA LEU 6 HA LEU 6 -10.118 2.912 -10.906 48 HB2 LEU 6 2HB LEU 6 -10.006 5.443 -10.312 49 HB3 LEU 6 3HB LEU 6 -10.010 4.229 -9.035 50 HG LEU 6 HG LEU 6 -7.324 4.975 -9.892 51 HD11 LEU 6 1HD1 LEU 6 -8.237 7.142 -10.278 52 HD12 LEU 6 2HD1 LEU 6 -7.412 7.181 -8.720 53 HD13 LEU 6 3HD1 LEU 6 -9.171 7.079 -8.784 54 HD21 LEU 6 1HD2 LEU 6 -8.181 5.483 -7.145 55 HD22 LEU 6 2HD2 LEU 6 -6.864 4.482 -7.758 56 HD23 LEU 6 3HD2 LEU 6 -8.508 3.842 -7.704 57 H PHE 7 H PHE 7 -7.123 4.453 -11.942 58 HA PHE 7 HA PHE 7 -8.451 5.158 -14.476 59 HB2 PHE 7 2HB PHE 7 -7.496 7.000 -12.765 60 HB3 PHE 7 3HB PHE 7 -6.025 6.667 -13.673 61 HD1 PHE 7 HD1 PHE 7 -5.643 7.744 -15.683 62 HD2 PHE 7 HD2 PHE 7 -9.607 7.547 -14.145 63 HE1 PHE 7 HE1 PHE 7 -6.410 9.245 -17.476 64 HE2 PHE 7 HE2 PHE 7 -10.380 9.047 -15.936 65 HZ PHE 7 HZ PHE 7 -8.781 9.897 -17.604 66 H ALA 8 H ALA 8 -6.116 3.291 -12.987 67 HA ALA 8 HA ALA 8 -4.109 3.274 -15.013 68 HB1 ALA 8 1HB ALA 8 -4.248 2.345 -12.454 69 HB2 ALA 8 2HB ALA 8 -4.341 0.851 -13.389 70 HB3 ALA 8 3HB ALA 8 -2.976 1.947 -13.610 71 H LYS 9 H LYS 9 -7.116 1.596 -14.526 72 HA LYS 9 HA LYS 9 -6.541 -0.368 -16.592 73 HB2 LYS 9 2HB LYS 9 -8.815 -1.210 -16.086 74 HB3 LYS 9 3HB LYS 9 -7.785 -1.131 -14.662 75 HG2 LYS 9 2HG LYS 9 -9.239 0.172 -13.622 76 HG3 LYS 9 3HG LYS 9 -9.223 1.330 -14.954 77 HD2 LYS 9 2HD LYS 9 -11.442 0.694 -14.914 78 HD3 LYS 9 3HD LYS 9 -10.777 -0.414 -16.117 79 HE2 LYS 9 2HE LYS 9 -11.524 -2.118 -14.905 80 HE3 LYS 9 3HE LYS 9 -10.425 -1.645 -13.611 81 HZ1 LYS 9 1HZ LYS 9 -12.103 -0.880 -12.389 82 HZ2 LYS 9 2HZ LYS 9 -13.135 -1.698 -13.451 83 HZ3 LYS 9 3HZ LYS 9 -12.808 -0.055 -13.687 84 H ILE 10 H ILE 10 -8.390 2.573 -16.143 85 HA ILE 10 HA ILE 10 -9.863 2.366 -18.581 86 HB ILE 10 HB ILE 10 -10.737 4.470 -18.118 87 HG12 ILE 10 2HG1 ILE 10 -9.412 5.867 -16.252 88 HG13 ILE 10 3HG1 ILE 10 -8.054 4.987 -16.945 89 HG21 ILE 10 1HG2 ILE 10 -10.078 4.004 -15.290 90 HG22 ILE 10 2HG2 ILE 10 -11.645 4.115 -16.089 91 HG23 ILE 10 3HG2 ILE 10 -10.727 2.612 -16.155 92 HD11 ILE 10 1HD1 ILE 10 -7.966 6.689 -18.382 93 HD12 ILE 10 2HD1 ILE 10 -9.323 5.888 -19.175 94 HD13 ILE 10 3HD1 ILE 10 -9.618 7.199 -18.032 95 H THR 11 H THR 11 -6.729 3.564 -17.696 96 HA THR 11 HA THR 11 -6.368 5.053 -20.154 97 HB THR 11 HB THR 11 -3.989 5.289 -19.313 98 HG1 THR 11 HG1 THR 11 -3.463 4.434 -17.396 99 HG21 THR 11 1HG2 THR 11 -5.668 7.024 -18.939 100 HG22 THR 11 2HG2 THR 11 -4.596 6.883 -17.546 101 HG23 THR 11 3HG2 THR 11 -6.217 6.193 -17.485 102 H LYS 12 H LYS 12 -5.767 4.165 -22.007 103 HA LYS 12 HA LYS 12 -4.246 1.641 -21.934 104 HB2 LYS 12 2HB LYS 12 -5.310 1.280 -24.249 105 HB3 LYS 12 3HB LYS 12 -6.320 1.033 -22.831 106 HG2 LYS 12 2HG LYS 12 -7.628 2.226 -24.385 107 HG3 LYS 12 3HG LYS 12 -7.147 3.390 -23.148 108 HD2 LYS 12 2HD LYS 12 -6.031 4.641 -24.626 109 HD3 LYS 12 3HD LYS 12 -5.233 3.233 -25.331 110 HE2 LYS 12 2HE LYS 12 -7.714 2.878 -26.293 111 HE3 LYS 12 3HE LYS 12 -7.702 4.635 -26.154 112 HZ1 LYS 12 1HZ LYS 12 -6.750 4.526 -28.163 113 HZ2 LYS 12 2HZ LYS 12 -6.259 2.918 -27.978 114 HZ3 LYS 12 3HZ LYS 12 -5.333 4.166 -27.311 115 H LYS 13 H LYS 13 -3.557 4.637 -22.186 116 HA LYS 13 HA LYS 13 -2.098 4.522 -24.733 117 HB2 LYS 13 2HB LYS 13 -1.957 7.033 -23.240 118 HB3 LYS 13 3HB LYS 13 -2.384 6.746 -24.922 119 HG2 LYS 13 2HG LYS 13 -4.638 5.948 -24.039 120 HG3 LYS 13 3HG LYS 13 -4.160 6.682 -22.506 121 HD2 LYS 13 2HD LYS 13 -4.275 8.814 -23.334 122 HD3 LYS 13 3HD LYS 13 -3.904 8.309 -24.984 123 HE2 LYS 13 2HE LYS 13 -6.397 7.169 -24.072 124 HE3 LYS 13 3HE LYS 13 -6.411 8.926 -23.930 125 HZ1 LYS 13 1HZ LYS 13 -7.070 7.715 -26.153 126 HZ2 LYS 13 2HZ LYS 13 -5.401 7.771 -26.418 127 HZ3 LYS 13 3HZ LYS 13 -6.264 9.203 -26.165 128 H ASN 14 H ASN 14 -1.443 6.056 -21.584 129 HA ASN 14 HA ASN 14 1.348 5.869 -21.812 130 HB2 ASN 14 2HB ASN 14 -0.555 6.815 -19.874 131 HB3 ASN 14 3HB ASN 14 0.709 5.897 -19.060 132 HD21 ASN 14 1HD2 ASN 14 -0.145 8.889 -19.872 133 HD22 ASN 14 2HD2 ASN 14 1.407 9.627 -20.055 134 H MET 15 H MET 15 -0.998 3.527 -20.989 135 HA MET 15 HA MET 15 0.429 1.853 -19.265 136 HB2 MET 15 2HB MET 15 -2.011 1.676 -19.877 137 HB3 MET 15 3HB MET 15 -1.508 0.938 -21.392 138 HG2 MET 15 2HG MET 15 -1.556 -1.021 -20.374 139 HG3 MET 15 3HG MET 15 -0.176 -0.495 -19.412 140 HE1 MET 15 1HE MET 15 -1.573 -2.468 -17.329 141 HE2 MET 15 2HE MET 15 -0.201 -1.365 -17.436 142 HE3 MET 15 3HE MET 15 -1.374 -1.189 -16.130 143 H ALA 16 H ALA 16 0.138 1.685 -22.814 144 HA ALA 16 HA ALA 16 2.110 -0.383 -23.031 145 HB1 ALA 16 1HB ALA 16 0.251 0.962 -24.785 146 HB2 ALA 16 2HB ALA 16 1.834 0.776 -25.543 147 HB3 ALA 16 3HB ALA 16 0.979 -0.639 -24.928 148 H HIS 17 H HIS 17 2.431 2.769 -22.251 149 HA HIS 17 HA HIS 17 4.936 3.138 -23.742 150 HB2 HIS 17 2HB HIS 17 2.829 4.924 -22.943 151 HB3 HIS 17 3HB HIS 17 4.352 5.457 -22.238 152 HD1 HIS 17 HD1 HIS 17 2.399 5.826 -25.194 153 HD2 HIS 17 HD2 HIS 17 6.467 5.576 -24.389 154 HE1 HIS 17 HE1 HIS 17 3.544 6.793 -27.214 155 H ILE 18 H ILE 18 3.683 2.383 -20.664 156 HA ILE 18 HA ILE 18 5.528 3.430 -18.896 157 HB ILE 18 HB ILE 18 4.986 1.642 -17.384 158 HG12 ILE 18 2HG1 ILE 18 4.129 0.222 -19.891 159 HG13 ILE 18 3HG1 ILE 18 5.212 -0.338 -18.622 160 HG21 ILE 18 1HG2 ILE 18 2.687 1.974 -17.205 161 HG22 ILE 18 2HG2 ILE 18 3.241 3.384 -18.105 162 HG23 ILE 18 3HG2 ILE 18 2.465 2.047 -18.953 163 HD11 ILE 18 1HD1 ILE 18 2.221 -0.082 -18.491 164 HD12 ILE 18 2HD1 ILE 18 3.183 -1.560 -18.455 165 HD13 ILE 18 3HD1 ILE 18 3.242 -0.436 -17.097 166 H ARG 19 H ARG 19 5.793 0.556 -20.931 167 HA ARG 19 HA ARG 19 8.672 0.665 -20.749 168 HB2 ARG 19 2HB ARG 19 8.020 -0.675 -18.758 169 HB3 ARG 19 3HB ARG 19 7.224 -1.823 -19.827 170 HG2 ARG 19 2HG ARG 19 9.164 -2.762 -20.488 171 HG3 ARG 19 3HG ARG 19 10.047 -1.235 -20.434 172 HD2 ARG 19 2HD ARG 19 9.235 -2.899 -18.053 173 HD3 ARG 19 3HD ARG 19 10.857 -2.797 -18.737 174 HE ARG 19 HE ARG 19 10.166 -0.211 -18.152 175 HH11 ARG 19 1HH1 ARG 19 10.424 -3.188 -16.366 176 HH12 ARG 19 2HH1 ARG 19 10.841 -2.410 -14.876 177 HH21 ARG 19 1HH2 ARG 19 10.714 0.825 -16.195 178 HH22 ARG 19 2HH2 ARG 19 11.005 -0.127 -14.779 Start of MODEL 5 1 H1 CYS 1 H CYS 1 4.112 -2.682 -7.864 2 HA CYS 1 HA CYS 1 2.806 -0.304 -8.649 3 HB2 CYS 1 2HB CYS 1 2.702 -3.095 -9.325 4 HB3 CYS 1 3HB CYS 1 1.066 -2.483 -9.120 5 HG CYS 1 HG CYS 1 0.947 -1.019 -11.268 6 H PHE 2 H PHE 2 1.143 -3.057 -7.147 7 HA PHE 2 HA PHE 2 -0.644 -3.138 -5.734 8 HB2 PHE 2 2HB PHE 2 0.715 -0.811 -4.366 9 HB3 PHE 2 3HB PHE 2 -0.373 -1.988 -3.637 10 HD1 PHE 2 HD1 PHE 2 2.767 -1.058 -3.355 11 HD2 PHE 2 HD2 PHE 2 0.634 -4.527 -4.593 12 HE1 PHE 2 HE1 PHE 2 4.699 -2.457 -2.749 13 HE2 PHE 2 HE2 PHE 2 2.561 -5.932 -3.989 14 HZ PHE 2 HZ PHE 2 4.597 -4.897 -3.065 15 H LEU 3 H LEU 3 -2.089 -1.306 -4.328 16 HA LEU 3 HA LEU 3 -3.785 0.198 -4.507 17 HB2 LEU 3 2HB LEU 3 -1.580 1.346 -5.997 18 HB3 LEU 3 3HB LEU 3 -3.141 1.856 -6.638 19 HG LEU 3 HG LEU 3 -3.500 2.273 -3.974 20 HD11 LEU 3 1HD1 LEU 3 -0.599 2.333 -4.536 21 HD12 LEU 3 2HD1 LEU 3 -1.461 2.012 -3.032 22 HD13 LEU 3 3HD1 LEU 3 -1.255 3.671 -3.592 23 HD21 LEU 3 1HD2 LEU 3 -3.679 3.745 -6.168 24 HD22 LEU 3 2HD2 LEU 3 -2.189 4.439 -5.527 25 HD23 LEU 3 3HD2 LEU 3 -3.664 4.469 -4.559 26 HA PRO 4 HA PRO 4 -6.535 -1.180 -7.635 27 HB2 PRO 4 2HB PRO 4 -8.190 0.950 -7.943 28 HB3 PRO 4 3HB PRO 4 -8.214 -0.087 -6.512 29 HG2 PRO 4 2HG PRO 4 -6.913 2.582 -6.897 30 HG3 PRO 4 3HG PRO 4 -7.840 1.979 -5.511 31 HD2 PRO 4 2HD PRO 4 -5.134 2.048 -5.534 32 HD3 PRO 4 3HD PRO 4 -6.050 0.799 -4.666 33 H LYS 5 H LYS 5 -7.606 -0.441 -9.771 34 HA LYS 5 HA LYS 5 -5.619 1.058 -11.351 35 HB2 LYS 5 2HB LYS 5 -6.850 -0.477 -13.215 36 HB3 LYS 5 3HB LYS 5 -5.364 -0.931 -12.392 37 HG2 LYS 5 2HG LYS 5 -6.417 -2.463 -11.042 38 HG3 LYS 5 3HG LYS 5 -7.985 -1.665 -11.178 39 HD2 LYS 5 2HD LYS 5 -7.976 -3.771 -12.404 40 HD3 LYS 5 3HD LYS 5 -8.154 -2.406 -13.509 41 HE2 LYS 5 2HE LYS 5 -5.854 -2.550 -14.156 42 HE3 LYS 5 3HE LYS 5 -5.524 -3.749 -12.907 43 HZ1 LYS 5 1HZ LYS 5 -7.573 -4.804 -14.400 44 HZ2 LYS 5 2HZ LYS 5 -5.950 -5.276 -14.439 45 HZ3 LYS 5 3HZ LYS 5 -6.524 -4.128 -15.542 46 H LEU 6 H LEU 6 -7.858 2.236 -10.033 47 HA LEU 6 HA LEU 6 -10.183 2.591 -11.389 48 HB2 LEU 6 2HB LEU 6 -8.538 4.241 -9.629 49 HB3 LEU 6 3HB LEU 6 -9.571 5.179 -10.705 50 HG LEU 6 HG LEU 6 -10.544 4.732 -8.453 51 HD11 LEU 6 1HD1 LEU 6 -12.755 3.982 -9.336 52 HD12 LEU 6 2HD1 LEU 6 -11.970 3.669 -10.883 53 HD13 LEU 6 3HD1 LEU 6 -12.020 5.309 -10.237 54 HD21 LEU 6 1HD2 LEU 6 -11.137 2.613 -7.737 55 HD22 LEU 6 2HD2 LEU 6 -9.560 2.335 -8.476 56 HD23 LEU 6 3HD2 LEU 6 -11.032 1.923 -9.357 57 H PHE 7 H PHE 7 -7.044 3.968 -12.208 58 HA PHE 7 HA PHE 7 -8.197 4.886 -14.759 59 HB2 PHE 7 2HB PHE 7 -7.203 6.572 -12.916 60 HB3 PHE 7 3HB PHE 7 -5.714 6.178 -13.769 61 HD1 PHE 7 HD1 PHE 7 -5.157 7.317 -15.701 62 HD2 PHE 7 HD2 PHE 7 -9.198 7.335 -14.365 63 HE1 PHE 7 HE1 PHE 7 -5.724 8.952 -17.450 64 HE2 PHE 7 HE2 PHE 7 -9.772 8.969 -16.112 65 HZ PHE 7 HZ PHE 7 -8.035 9.780 -17.658 66 H ALA 8 H ALA 8 -6.068 2.790 -13.266 67 HA ALA 8 HA ALA 8 -3.974 2.729 -15.201 68 HB1 ALA 8 1HB ALA 8 -4.293 1.692 -12.701 69 HB2 ALA 8 2HB ALA 8 -4.450 0.254 -13.710 70 HB3 ALA 8 3HB ALA 8 -3.002 1.255 -13.821 71 H LYS 9 H LYS 9 -7.108 1.244 -14.931 72 HA LYS 9 HA LYS 9 -6.571 -0.655 -17.066 73 HB2 LYS 9 2HB LYS 9 -8.920 -1.355 -16.705 74 HB3 LYS 9 3HB LYS 9 -7.957 -1.418 -15.235 75 HG2 LYS 9 2HG LYS 9 -9.360 -0.059 -14.195 76 HG3 LYS 9 3HG LYS 9 -9.210 1.150 -15.472 77 HD2 LYS 9 2HD LYS 9 -11.131 0.514 -16.475 78 HD3 LYS 9 3HD LYS 9 -10.862 -1.197 -16.135 79 HE2 LYS 9 2HE LYS 9 -11.331 0.293 -13.706 80 HE3 LYS 9 3HE LYS 9 -12.649 0.520 -14.855 81 HZ1 LYS 9 1HZ LYS 9 -13.400 -1.489 -14.371 82 HZ2 LYS 9 2HZ LYS 9 -12.184 -1.672 -13.210 83 HZ3 LYS 9 3HZ LYS 9 -11.924 -2.198 -14.796 84 H ILE 10 H ILE 10 -8.227 2.388 -16.554 85 HA ILE 10 HA ILE 10 -9.593 2.400 -19.064 86 HB ILE 10 HB ILE 10 -10.346 4.534 -18.532 87 HG12 ILE 10 2HG1 ILE 10 -9.018 5.748 -16.544 88 HG13 ILE 10 3HG1 ILE 10 -7.692 4.810 -17.220 89 HG21 ILE 10 1HG2 ILE 10 -11.369 4.151 -16.564 90 HG22 ILE 10 2HG2 ILE 10 -10.555 2.591 -16.669 91 HG23 ILE 10 3HG2 ILE 10 -9.852 3.889 -15.706 92 HD11 ILE 10 1HD1 ILE 10 -8.817 5.908 -19.451 93 HD12 ILE 10 2HD1 ILE 10 -9.028 7.183 -18.249 94 HD13 ILE 10 3HD1 ILE 10 -7.418 6.545 -18.585 95 H THR 11 H THR 11 -6.431 3.328 -17.977 96 HA THR 11 HA THR 11 -5.849 4.907 -20.333 97 HB THR 11 HB THR 11 -3.501 4.924 -19.375 98 HG1 THR 11 HG1 THR 11 -3.617 4.313 -17.015 99 HG21 THR 11 1HG2 THR 11 -5.747 5.905 -17.608 100 HG22 THR 11 2HG2 THR 11 -5.066 6.760 -18.992 101 HG23 THR 11 3HG2 THR 11 -4.079 6.473 -17.559 102 H LYS 12 H LYS 12 -5.241 4.062 -22.205 103 HA LYS 12 HA LYS 12 -3.872 1.452 -22.196 104 HB2 LYS 12 2HB LYS 12 -4.894 1.157 -24.499 105 HB3 LYS 12 3HB LYS 12 -6.008 1.061 -23.141 106 HG2 LYS 12 2HG LYS 12 -5.626 3.687 -24.482 107 HG3 LYS 12 3HG LYS 12 -6.589 2.449 -25.291 108 HD2 LYS 12 2HD LYS 12 -7.743 2.262 -22.939 109 HD3 LYS 12 3HD LYS 12 -7.108 3.897 -22.734 110 HE2 LYS 12 2HE LYS 12 -8.768 4.716 -23.959 111 HE3 LYS 12 3HE LYS 12 -8.292 3.696 -25.317 112 HZ1 LYS 12 1HZ LYS 12 -9.797 2.078 -24.746 113 HZ2 LYS 12 2HZ LYS 12 -10.647 3.472 -24.303 114 HZ3 LYS 12 3HZ LYS 12 -9.872 2.543 -23.121 115 H LYS 13 H LYS 13 -2.990 4.391 -22.288 116 HA LYS 13 HA LYS 13 -1.310 4.149 -24.699 117 HB2 LYS 13 2HB LYS 13 -1.176 6.793 -24.149 118 HB3 LYS 13 3HB LYS 13 -2.339 6.084 -25.262 119 HG2 LYS 13 2HG LYS 13 -4.088 6.285 -23.776 120 HG3 LYS 13 3HG LYS 13 -3.025 6.331 -22.368 121 HD2 LYS 13 2HD LYS 13 -3.105 8.517 -24.437 122 HD3 LYS 13 3HD LYS 13 -4.125 8.518 -22.997 123 HE2 LYS 13 2HE LYS 13 -1.934 8.215 -21.693 124 HE3 LYS 13 3HE LYS 13 -1.135 8.704 -23.187 125 HZ1 LYS 13 1HZ LYS 13 -1.879 10.431 -21.342 126 HZ2 LYS 13 2HZ LYS 13 -3.312 10.397 -22.241 127 HZ3 LYS 13 3HZ LYS 13 -1.855 10.823 -22.988 128 H ASN 14 H ASN 14 -1.146 6.310 -21.889 129 HA ASN 14 HA ASN 14 1.597 6.328 -21.635 130 HB2 ASN 14 2HB ASN 14 -0.642 7.228 -20.094 131 HB3 ASN 14 3HB ASN 14 0.530 6.489 -19.007 132 HD21 ASN 14 1HD2 ASN 14 2.672 7.320 -18.974 133 HD22 ASN 14 2HD2 ASN 14 2.986 8.951 -19.447 134 H MET 15 H MET 15 -0.678 3.913 -20.588 135 HA MET 15 HA MET 15 0.879 2.561 -18.695 136 HB2 MET 15 2HB MET 15 -1.565 2.190 -19.187 137 HB3 MET 15 3HB MET 15 -1.074 1.280 -20.609 138 HG2 MET 15 2HG MET 15 -1.003 -0.523 -19.336 139 HG3 MET 15 3HG MET 15 0.391 0.180 -18.519 140 HE1 MET 15 1HE MET 15 -0.776 -0.033 -15.043 141 HE2 MET 15 2HE MET 15 0.094 -0.955 -16.269 142 HE3 MET 15 3HE MET 15 0.438 0.761 -16.048 143 H ALA 16 H ALA 16 0.493 1.898 -22.177 144 HA ALA 16 HA ALA 16 2.556 -0.090 -22.183 145 HB1 ALA 16 1HB ALA 16 0.487 0.278 -23.786 146 HB2 ALA 16 2HB ALA 16 1.674 1.201 -24.709 147 HB3 ALA 16 3HB ALA 16 1.967 -0.500 -24.348 148 H HIS 17 H HIS 17 2.748 3.149 -21.842 149 HA HIS 17 HA HIS 17 5.187 3.425 -23.456 150 HB2 HIS 17 2HB HIS 17 3.021 5.207 -22.825 151 HB3 HIS 17 3HB HIS 17 4.537 5.896 -22.251 152 HD1 HIS 17 HD1 HIS 17 6.518 5.749 -24.242 153 HD2 HIS 17 HD2 HIS 17 2.528 5.850 -25.394 154 HE1 HIS 17 HE1 HIS 17 6.531 6.493 -26.644 155 H ILE 18 H ILE 18 4.063 3.034 -20.263 156 HA ILE 18 HA ILE 18 5.906 4.387 -18.714 157 HB ILE 18 HB ILE 18 5.495 2.794 -16.961 158 HG12 ILE 18 2HG1 ILE 18 4.634 1.017 -19.227 159 HG13 ILE 18 3HG1 ILE 18 5.778 0.678 -17.933 160 HG21 ILE 18 1HG2 ILE 18 3.187 3.043 -16.748 161 HG22 ILE 18 2HG2 ILE 18 3.650 4.348 -17.839 162 HG23 ILE 18 3HG2 ILE 18 2.914 2.881 -18.482 163 HD11 ILE 18 1HD1 ILE 18 3.861 0.696 -16.342 164 HD12 ILE 18 2HD1 ILE 18 2.784 0.820 -17.733 165 HD13 ILE 18 3HD1 ILE 18 3.815 -0.598 -17.539 166 H ARG 19 H ARG 19 6.249 1.281 -20.360 167 HA ARG 19 HA ARG 19 8.770 0.615 -19.254 168 HB2 ARG 19 2HB ARG 19 7.484 -0.266 -21.845 169 HB3 ARG 19 3HB ARG 19 8.913 -1.000 -21.130 170 HG2 ARG 19 2HG ARG 19 7.090 -1.075 -19.075 171 HG3 ARG 19 3HG ARG 19 6.102 -1.386 -20.504 172 HD2 ARG 19 2HD ARG 19 7.429 -3.253 -21.123 173 HD3 ARG 19 3HD ARG 19 8.675 -2.840 -19.945 174 HE ARG 19 HE ARG 19 6.273 -3.272 -18.578 175 HH11 ARG 19 1HH1 ARG 19 8.628 -5.043 -20.432 176 HH12 ARG 19 2HH1 ARG 19 8.345 -6.540 -19.606 177 HH21 ARG 19 1HH2 ARG 19 5.891 -5.237 -17.483 178 HH22 ARG 19 2HH2 ARG 19 6.787 -6.649 -17.930 Start of MODEL 6 1 H1 CYS 1 H CYS 1 -4.787 -2.919 -0.312 2 HA CYS 1 HA CYS 1 -2.822 -4.140 -0.455 3 HB2 CYS 1 2HB CYS 1 -4.211 -6.115 -2.258 4 HB3 CYS 1 3HB CYS 1 -2.744 -6.347 -1.314 5 HG CYS 1 HG CYS 1 -3.939 -7.478 0.643 6 H PHE 2 H PHE 2 -4.518 -4.685 -3.544 7 HA PHE 2 HA PHE 2 -2.408 -4.177 -5.232 8 HB2 PHE 2 2HB PHE 2 -5.352 -3.636 -5.644 9 HB3 PHE 2 3HB PHE 2 -4.156 -3.550 -6.933 10 HD1 PHE 2 HD1 PHE 2 -6.585 -5.555 -5.573 11 HD2 PHE 2 HD2 PHE 2 -2.557 -5.752 -6.933 12 HE1 PHE 2 HE1 PHE 2 -6.837 -7.972 -5.959 13 HE2 PHE 2 HE2 PHE 2 -2.803 -8.169 -7.322 14 HZ PHE 2 HZ PHE 2 -4.945 -9.282 -6.836 15 H LEU 3 H LEU 3 -1.712 -2.366 -6.423 16 HA LEU 3 HA LEU 3 -1.633 0.058 -4.940 17 HB2 LEU 3 2HB LEU 3 -0.538 -0.924 -7.512 18 HB3 LEU 3 3HB LEU 3 -0.655 0.822 -7.304 19 HG LEU 3 HG LEU 3 0.766 0.690 -5.323 20 HD11 LEU 3 1HD1 LEU 3 0.525 -1.302 -4.262 21 HD12 LEU 3 2HD1 LEU 3 1.979 -1.669 -5.189 22 HD13 LEU 3 3HD1 LEU 3 0.406 -2.219 -5.764 23 HD21 LEU 3 1HD2 LEU 3 1.682 -0.373 -7.947 24 HD22 LEU 3 2HD2 LEU 3 2.810 -0.390 -6.590 25 HD23 LEU 3 3HD2 LEU 3 2.098 1.133 -7.128 26 HA PRO 4 HA PRO 4 -4.994 2.376 -6.547 27 HB2 PRO 4 2HB PRO 4 -3.920 4.853 -6.826 28 HB3 PRO 4 3HB PRO 4 -4.280 4.134 -5.252 29 HG2 PRO 4 2HG PRO 4 -1.666 4.310 -6.701 30 HG3 PRO 4 3HG PRO 4 -2.014 4.584 -4.984 31 HD2 PRO 4 2HD PRO 4 -0.947 2.271 -5.904 32 HD3 PRO 4 3HD PRO 4 -2.031 2.331 -4.499 33 H LYS 5 H LYS 5 -5.499 1.617 -8.567 34 HA LYS 5 HA LYS 5 -4.105 2.882 -10.835 35 HB2 LYS 5 2HB LYS 5 -5.303 0.733 -11.974 36 HB3 LYS 5 3HB LYS 5 -3.646 0.738 -11.383 37 HG2 LYS 5 2HG LYS 5 -4.164 -0.490 -9.512 38 HG3 LYS 5 3HG LYS 5 -5.857 0.010 -9.521 39 HD2 LYS 5 2HD LYS 5 -5.641 -2.331 -10.165 40 HD3 LYS 5 3HD LYS 5 -6.247 -1.365 -11.512 41 HE2 LYS 5 2HE LYS 5 -4.440 -1.784 -12.774 42 HE3 LYS 5 3HE LYS 5 -3.331 -1.580 -11.419 43 HZ1 LYS 5 1HZ LYS 5 -4.376 -3.979 -12.553 44 HZ2 LYS 5 2HZ LYS 5 -4.655 -3.913 -10.886 45 HZ3 LYS 5 3HZ LYS 5 -3.080 -3.772 -11.486 46 H LEU 6 H LEU 6 -6.290 4.054 -9.425 47 HA LEU 6 HA LEU 6 -8.824 3.691 -10.328 48 HB2 LEU 6 2HB LEU 6 -7.409 5.751 -9.074 49 HB3 LEU 6 3HB LEU 6 -8.194 6.500 -10.463 50 HG LEU 6 HG LEU 6 -9.988 4.797 -8.918 51 HD11 LEU 6 1HD1 LEU 6 -8.861 5.432 -6.976 52 HD12 LEU 6 2HD1 LEU 6 -10.173 6.602 -7.112 53 HD13 LEU 6 3HD1 LEU 6 -8.535 7.055 -7.583 54 HD21 LEU 6 1HD2 LEU 6 -10.657 6.381 -10.692 55 HD22 LEU 6 2HD2 LEU 6 -10.105 7.714 -9.677 56 HD23 LEU 6 3HD2 LEU 6 -11.451 6.702 -9.150 57 H PHE 7 H PHE 7 -6.171 5.211 -12.079 58 HA PHE 7 HA PHE 7 -7.864 5.213 -14.491 59 HB2 PHE 7 2HB PHE 7 -6.928 7.467 -13.362 60 HB3 PHE 7 3HB PHE 7 -5.546 7.063 -14.375 61 HD1 PHE 7 HD1 PHE 7 -5.527 7.688 -16.600 62 HD2 PHE 7 HD2 PHE 7 -9.235 7.509 -14.519 63 HE1 PHE 7 HE1 PHE 7 -6.663 8.676 -18.546 64 HE2 PHE 7 HE2 PHE 7 -10.377 8.496 -16.462 65 HZ PHE 7 HZ PHE 7 -9.091 9.080 -18.479 66 H ALA 8 H ALA 8 -5.169 3.933 -12.988 67 HA ALA 8 HA ALA 8 -3.433 3.631 -15.230 68 HB1 ALA 8 1HB ALA 8 -1.994 2.751 -13.755 69 HB2 ALA 8 2HB ALA 8 -3.152 3.294 -12.540 70 HB3 ALA 8 3HB ALA 8 -3.191 1.626 -13.111 71 H LYS 9 H LYS 9 -6.147 1.855 -13.974 72 HA LYS 9 HA LYS 9 -5.605 -0.466 -15.637 73 HB2 LYS 9 2HB LYS 9 -7.692 -1.361 -14.646 74 HB3 LYS 9 3HB LYS 9 -6.515 -0.877 -13.432 75 HG2 LYS 9 2HG LYS 9 -7.968 0.506 -12.499 76 HG3 LYS 9 3HG LYS 9 -8.252 1.322 -14.038 77 HD2 LYS 9 2HD LYS 9 -10.150 0.167 -14.446 78 HD3 LYS 9 3HD LYS 9 -9.514 -1.325 -13.750 79 HE2 LYS 9 2HE LYS 9 -9.837 -0.352 -11.493 80 HE3 LYS 9 3HE LYS 9 -10.580 1.060 -12.243 81 HZ1 LYS 9 1HZ LYS 9 -11.802 -1.338 -11.535 82 HZ2 LYS 9 2HZ LYS 9 -11.820 -1.264 -13.224 83 HZ3 LYS 9 3HZ LYS 9 -12.500 -0.009 -12.316 84 H ILE 10 H ILE 10 -7.705 2.335 -15.567 85 HA ILE 10 HA ILE 10 -9.426 1.459 -17.673 86 HB ILE 10 HB ILE 10 -10.475 3.528 -17.544 87 HG12 ILE 10 2HG1 ILE 10 -9.105 5.421 -16.227 88 HG13 ILE 10 3HG1 ILE 10 -7.748 4.527 -16.905 89 HG21 ILE 10 1HG2 ILE 10 -9.430 3.771 -14.806 90 HG22 ILE 10 2HG2 ILE 10 -11.085 3.568 -15.378 91 HG23 ILE 10 3HG2 ILE 10 -10.017 2.170 -15.255 92 HD11 ILE 10 1HD1 ILE 10 -8.035 5.877 -18.659 93 HD12 ILE 10 2HD1 ILE 10 -9.356 4.784 -19.074 94 HD13 ILE 10 3HD1 ILE 10 -9.690 6.282 -18.205 95 H THR 11 H THR 11 -6.365 3.087 -17.511 96 HA THR 11 HA THR 11 -6.471 4.016 -20.251 97 HB THR 11 HB THR 11 -4.047 4.624 -19.823 98 HG1 THR 11 HG1 THR 11 -3.627 3.181 -18.116 99 HG21 THR 11 1HG2 THR 11 -5.846 6.259 -19.596 100 HG22 THR 11 2HG2 THR 11 -4.611 6.518 -18.363 101 HG23 THR 11 3HG2 THR 11 -6.131 5.732 -17.938 102 H LYS 12 H LYS 12 -6.018 2.781 -21.941 103 HA LYS 12 HA LYS 12 -4.200 0.491 -21.568 104 HB2 LYS 12 2HB LYS 12 -5.513 -0.522 -23.522 105 HB3 LYS 12 3HB LYS 12 -6.300 -0.486 -21.949 106 HG2 LYS 12 2HG LYS 12 -7.936 0.170 -23.497 107 HG3 LYS 12 3HG LYS 12 -7.412 1.658 -22.705 108 HD2 LYS 12 2HD LYS 12 -6.195 2.361 -24.574 109 HD3 LYS 12 3HD LYS 12 -6.169 0.743 -25.279 110 HE2 LYS 12 2HE LYS 12 -8.610 0.896 -25.627 111 HE3 LYS 12 3HE LYS 12 -8.574 2.543 -24.999 112 HZ1 LYS 12 1HZ LYS 12 -7.971 3.292 -26.979 113 HZ2 LYS 12 2HZ LYS 12 -8.167 1.736 -27.612 114 HZ3 LYS 12 3HZ LYS 12 -6.651 2.236 -27.051 115 H LYS 13 H LYS 13 -3.895 3.378 -22.546 116 HA LYS 13 HA LYS 13 -2.613 2.720 -25.118 117 HB2 LYS 13 2HB LYS 13 -2.874 5.407 -25.260 118 HB3 LYS 13 3HB LYS 13 -4.054 4.275 -25.908 119 HG2 LYS 13 2HG LYS 13 -5.546 4.637 -24.190 120 HG3 LYS 13 3HG LYS 13 -4.294 5.201 -23.082 121 HD2 LYS 13 2HD LYS 13 -5.087 6.721 -25.556 122 HD3 LYS 13 3HD LYS 13 -5.870 6.966 -23.993 123 HE2 LYS 13 2HE LYS 13 -3.638 7.469 -23.022 124 HE3 LYS 13 3HE LYS 13 -2.951 7.358 -24.641 125 HZ1 LYS 13 1HZ LYS 13 -3.451 9.653 -23.939 126 HZ2 LYS 13 2HZ LYS 13 -5.094 9.258 -23.861 127 HZ3 LYS 13 3HZ LYS 13 -4.280 9.203 -25.343 128 H ASN 14 H ASN 14 -2.391 5.563 -23.006 129 HA ASN 14 HA ASN 14 0.308 6.013 -23.328 130 HB2 ASN 14 2HB ASN 14 -1.777 7.000 -21.638 131 HB3 ASN 14 3HB ASN 14 -0.339 6.735 -20.655 132 HD21 ASN 14 1HD2 ASN 14 1.173 8.245 -20.665 133 HD22 ASN 14 2HD2 ASN 14 1.289 9.547 -21.795 134 H MET 15 H MET 15 -1.293 3.692 -21.290 135 HA MET 15 HA MET 15 0.764 3.125 -19.480 136 HB2 MET 15 2HB MET 15 -1.618 2.310 -19.367 137 HB3 MET 15 3HB MET 15 -1.202 1.123 -20.596 138 HG2 MET 15 2HG MET 15 -0.602 -0.241 -18.965 139 HG3 MET 15 3HG MET 15 0.752 0.838 -18.638 140 HE1 MET 15 1HE MET 15 0.639 1.344 -15.377 141 HE2 MET 15 2HE MET 15 -0.104 -0.256 -15.381 142 HE3 MET 15 3HE MET 15 1.099 0.161 -16.603 143 H ALA 16 H ALA 16 -0.042 1.497 -22.547 144 HA ALA 16 HA ALA 16 2.321 -0.122 -22.487 145 HB1 ALA 16 1HB ALA 16 0.346 0.402 -24.705 146 HB2 ALA 16 2HB ALA 16 1.628 -0.809 -24.752 147 HB3 ALA 16 3HB ALA 16 0.325 -0.949 -23.572 148 H HIS 17 H HIS 17 1.971 3.083 -22.985 149 HA HIS 17 HA HIS 17 4.033 3.236 -25.072 150 HB2 HIS 17 2HB HIS 17 1.707 4.815 -24.470 151 HB3 HIS 17 3HB HIS 17 3.144 5.831 -24.396 152 HD1 HIS 17 HD1 HIS 17 3.179 7.052 -26.551 153 HD2 HIS 17 HD2 HIS 17 2.307 3.022 -27.063 154 HE1 HIS 17 HE1 HIS 17 3.081 6.696 -29.039 155 H ILE 18 H ILE 18 3.519 3.578 -21.721 156 HA ILE 18 HA ILE 18 5.308 5.536 -20.948 157 HB ILE 18 HB ILE 18 5.477 4.437 -18.817 158 HG12 ILE 18 2HG1 ILE 18 4.605 2.013 -20.365 159 HG13 ILE 18 3HG1 ILE 18 5.982 2.195 -19.284 160 HG21 ILE 18 1HG2 ILE 18 3.225 4.422 -18.211 161 HG22 ILE 18 2HG2 ILE 18 3.264 5.433 -19.655 162 HG23 ILE 18 3HG2 ILE 18 2.715 3.761 -19.764 163 HD11 ILE 18 1HD1 ILE 18 4.372 2.386 -17.393 164 HD12 ILE 18 2HD1 ILE 18 3.083 1.982 -18.528 165 HD13 ILE 18 3HD1 ILE 18 4.372 0.822 -18.207 166 H ARG 19 H ARG 19 5.944 2.175 -21.828 167 HA ARG 19 HA ARG 19 8.762 2.854 -22.188 168 HB2 ARG 19 2HB ARG 19 8.487 1.858 -19.905 169 HB3 ARG 19 3HB ARG 19 7.893 0.390 -20.671 170 HG2 ARG 19 2HG ARG 19 10.277 0.866 -21.969 171 HG3 ARG 19 3HG ARG 19 10.611 1.326 -20.298 172 HD2 ARG 19 2HD ARG 19 9.201 -1.241 -20.903 173 HD3 ARG 19 3HD ARG 19 10.955 -1.138 -21.049 174 HE ARG 19 HE ARG 19 9.438 -1.251 -18.634 175 HH11 ARG 19 1HH1 ARG 19 12.365 -0.021 -20.060 176 HH12 ARG 19 2HH1 ARG 19 13.228 0.036 -18.558 177 HH21 ARG 19 1HH2 ARG 19 10.562 -1.181 -16.650 178 HH22 ARG 19 2HH2 ARG 19 12.201 -0.625 -16.620 Start of MODEL 7 1 H1 CYS 1 H CYS 1 -1.550 -7.097 -2.467 2 HA CYS 1 HA CYS 1 -3.804 -5.693 -3.047 3 HB2 CYS 1 2HB CYS 1 -1.891 -5.728 -0.903 4 HB3 CYS 1 3HB CYS 1 -2.407 -4.072 -1.200 5 HG CYS 1 HG CYS 1 -5.140 -4.653 -0.898 6 H PHE 2 H PHE 2 -0.818 -3.856 -2.489 7 HA PHE 2 HA PHE 2 -0.094 -1.876 -3.356 8 HB2 PHE 2 2HB PHE 2 -0.212 -3.752 -5.394 9 HB3 PHE 2 3HB PHE 2 -1.017 -2.346 -6.083 10 HD1 PHE 2 HD1 PHE 2 0.342 -1.023 -7.356 11 HD2 PHE 2 HD2 PHE 2 1.979 -2.958 -3.937 12 HE1 PHE 2 HE1 PHE 2 2.530 -0.004 -7.832 13 HE2 PHE 2 HE2 PHE 2 4.170 -1.941 -4.406 14 HZ PHE 2 HZ PHE 2 4.448 -0.462 -6.355 15 H LEU 3 H LEU 3 -0.922 -0.212 -5.347 16 HA LEU 3 HA LEU 3 -3.309 0.919 -4.183 17 HB2 LEU 3 2HB LEU 3 -1.213 1.799 -6.078 18 HB3 LEU 3 3HB LEU 3 -2.796 2.558 -6.236 19 HG LEU 3 HG LEU 3 -2.471 2.922 -3.629 20 HD11 LEU 3 1HD1 LEU 3 -0.179 1.679 -3.967 21 HD12 LEU 3 2HD1 LEU 3 -0.321 3.045 -2.861 22 HD13 LEU 3 3HD1 LEU 3 0.360 3.281 -4.470 23 HD21 LEU 3 1HD2 LEU 3 -0.956 4.704 -5.506 24 HD22 LEU 3 2HD2 LEU 3 -1.927 5.141 -4.099 25 HD23 LEU 3 3HD2 LEU 3 -2.714 4.579 -5.575 26 HA PRO 4 HA PRO 4 -6.307 -0.393 -7.106 27 HB2 PRO 4 2HB PRO 4 -7.816 1.838 -7.442 28 HB3 PRO 4 3HB PRO 4 -7.843 0.875 -5.960 29 HG2 PRO 4 2HG PRO 4 -6.373 3.417 -6.540 30 HG3 PRO 4 3HG PRO 4 -7.270 2.951 -5.084 31 HD2 PRO 4 2HD PRO 4 -4.570 2.815 -5.237 32 HD3 PRO 4 3HD PRO 4 -5.529 1.681 -4.265 33 H LYS 5 H LYS 5 -7.363 0.203 -9.242 34 HA LYS 5 HA LYS 5 -5.408 1.573 -10.971 35 HB2 LYS 5 2HB LYS 5 -6.709 -0.066 -12.695 36 HB3 LYS 5 3HB LYS 5 -5.202 -0.482 -11.888 37 HG2 LYS 5 2HG LYS 5 -6.228 -1.909 -10.408 38 HG3 LYS 5 3HG LYS 5 -7.794 -1.107 -10.554 39 HD2 LYS 5 2HD LYS 5 -7.832 -3.292 -11.636 40 HD3 LYS 5 3HD LYS 5 -8.034 -2.001 -12.823 41 HE2 LYS 5 2HE LYS 5 -6.273 -2.742 -13.953 42 HE3 LYS 5 3HE LYS 5 -5.253 -2.536 -12.529 43 HZ1 LYS 5 1HZ LYS 5 -5.260 -4.822 -13.406 44 HZ2 LYS 5 2HZ LYS 5 -6.914 -4.937 -13.069 45 HZ3 LYS 5 3HZ LYS 5 -5.806 -4.738 -11.807 46 H LEU 6 H LEU 6 -7.595 2.862 -9.672 47 HA LEU 6 HA LEU 6 -9.955 3.156 -10.979 48 HB2 LEU 6 2HB LEU 6 -8.330 4.776 -9.260 49 HB3 LEU 6 3HB LEU 6 -9.095 5.789 -10.482 50 HG LEU 6 HG LEU 6 -10.904 3.895 -9.153 51 HD11 LEU 6 1HD1 LEU 6 -11.054 5.147 -7.087 52 HD12 LEU 6 2HD1 LEU 6 -9.732 6.196 -7.598 53 HD13 LEU 6 3HD1 LEU 6 -9.428 4.489 -7.279 54 HD21 LEU 6 1HD2 LEU 6 -11.065 6.879 -9.540 55 HD22 LEU 6 2HD2 LEU 6 -12.391 5.765 -9.205 56 HD23 LEU 6 3HD2 LEU 6 -11.552 5.697 -10.756 57 H PHE 7 H PHE 7 -6.829 4.440 -11.981 58 HA PHE 7 HA PHE 7 -8.049 5.191 -14.556 59 HB2 PHE 7 2HB PHE 7 -6.987 6.989 -12.859 60 HB3 PHE 7 3HB PHE 7 -5.531 6.528 -13.736 61 HD1 PHE 7 HD1 PHE 7 -5.036 7.536 -15.756 62 HD2 PHE 7 HD2 PHE 7 -9.029 7.666 -14.287 63 HE1 PHE 7 HE1 PHE 7 -5.656 9.056 -17.588 64 HE2 PHE 7 HE2 PHE 7 -9.656 9.185 -16.118 65 HZ PHE 7 HZ PHE 7 -7.969 9.881 -17.772 66 H ALA 8 H ALA 8 -5.896 3.182 -12.984 67 HA ALA 8 HA ALA 8 -3.856 2.971 -14.966 68 HB1 ALA 8 1HB ALA 8 -4.308 0.607 -13.301 69 HB2 ALA 8 2HB ALA 8 -2.857 1.587 -13.516 70 HB3 ALA 8 3HB ALA 8 -4.114 2.107 -12.394 71 H LYS 9 H LYS 9 -6.994 1.542 -14.515 72 HA LYS 9 HA LYS 9 -6.530 -0.502 -16.530 73 HB2 LYS 9 2HB LYS 9 -8.872 -1.157 -16.056 74 HB3 LYS 9 3HB LYS 9 -7.867 -1.131 -14.614 75 HG2 LYS 9 2HG LYS 9 -9.231 0.303 -13.626 76 HG3 LYS 9 3HG LYS 9 -9.107 1.427 -14.981 77 HD2 LYS 9 2HD LYS 9 -11.361 0.968 -14.995 78 HD3 LYS 9 3HD LYS 9 -10.765 -0.248 -16.127 79 HE2 LYS 9 2HE LYS 9 -10.761 -1.917 -14.359 80 HE3 LYS 9 3HE LYS 9 -11.285 -0.706 -13.190 81 HZ1 LYS 9 1HZ LYS 9 -12.815 -2.066 -15.268 82 HZ2 LYS 9 2HZ LYS 9 -13.210 -0.450 -14.963 83 HZ3 LYS 9 3HZ LYS 9 -13.286 -1.589 -13.715 84 H ILE 10 H ILE 10 -8.156 2.579 -16.174 85 HA ILE 10 HA ILE 10 -9.593 2.437 -18.638 86 HB ILE 10 HB ILE 10 -10.311 4.611 -18.232 87 HG12 ILE 10 2HG1 ILE 10 -8.920 5.938 -16.363 88 HG13 ILE 10 3HG1 ILE 10 -7.621 4.943 -17.010 89 HG21 ILE 10 1HG2 ILE 10 -11.288 4.364 -16.220 90 HG22 ILE 10 2HG2 ILE 10 -10.483 2.795 -16.238 91 HG23 ILE 10 3HG2 ILE 10 -9.750 4.152 -15.383 92 HD11 ILE 10 1HD1 ILE 10 -8.740 5.883 -19.288 93 HD12 ILE 10 2HD1 ILE 10 -9.007 7.234 -18.186 94 HD13 ILE 10 3HD1 ILE 10 -7.374 6.626 -18.456 95 H THR 11 H THR 11 -6.394 3.411 -17.709 96 HA THR 11 HA THR 11 -5.873 4.818 -20.186 97 HB THR 11 HB THR 11 -3.500 4.891 -19.301 98 HG1 THR 11 HG1 THR 11 -3.118 3.578 -17.692 99 HG21 THR 11 1HG2 THR 11 -5.050 6.754 -18.992 100 HG22 THR 11 2HG2 THR 11 -4.018 6.559 -17.575 101 HG23 THR 11 3HG2 THR 11 -5.688 5.994 -17.534 102 H LYS 12 H LYS 12 -5.305 3.850 -22.010 103 HA LYS 12 HA LYS 12 -3.978 1.222 -21.857 104 HB2 LYS 12 2HB LYS 12 -5.029 0.845 -24.153 105 HB3 LYS 12 3HB LYS 12 -6.107 0.786 -22.765 106 HG2 LYS 12 2HG LYS 12 -5.773 3.374 -24.188 107 HG3 LYS 12 3HG LYS 12 -6.745 2.109 -24.942 108 HD2 LYS 12 2HD LYS 12 -7.890 1.965 -22.612 109 HD3 LYS 12 3HD LYS 12 -7.200 3.572 -22.370 110 HE2 LYS 12 2HE LYS 12 -8.374 3.553 -24.937 111 HE3 LYS 12 3HE LYS 12 -9.534 2.809 -23.838 112 HZ1 LYS 12 1HZ LYS 12 -8.521 5.027 -22.528 113 HZ2 LYS 12 2HZ LYS 12 -10.072 4.837 -23.175 114 HZ3 LYS 12 3HZ LYS 12 -8.847 5.536 -24.108 115 H LYS 13 H LYS 13 -3.088 4.168 -22.177 116 HA LYS 13 HA LYS 13 -1.573 3.864 -24.677 117 HB2 LYS 13 2HB LYS 13 -1.338 6.429 -23.291 118 HB3 LYS 13 3HB LYS 13 -1.727 6.090 -24.972 119 HG2 LYS 13 2HG LYS 13 -4.048 5.452 -24.126 120 HG3 LYS 13 3HG LYS 13 -3.577 6.240 -22.618 121 HD2 LYS 13 2HD LYS 13 -4.617 7.960 -23.764 122 HD3 LYS 13 3HD LYS 13 -2.919 8.222 -24.168 123 HE2 LYS 13 2HE LYS 13 -3.185 7.509 -26.334 124 HE3 LYS 13 3HE LYS 13 -4.561 6.480 -25.940 125 HZ1 LYS 13 1HZ LYS 13 -4.754 9.423 -25.782 126 HZ2 LYS 13 2HZ LYS 13 -6.001 8.289 -25.914 127 HZ3 LYS 13 3HZ LYS 13 -5.002 8.606 -27.242 128 H ASN 14 H ASN 14 -0.927 5.503 -21.579 129 HA ASN 14 HA ASN 14 1.858 5.132 -21.715 130 HB2 ASN 14 2HB ASN 14 -0.030 6.325 -19.902 131 HB3 ASN 14 3HB ASN 14 1.145 5.380 -18.992 132 HD21 ASN 14 1HD2 ASN 14 0.866 7.849 -21.500 133 HD22 ASN 14 2HD2 ASN 14 2.335 8.669 -21.104 134 H MET 15 H MET 15 -0.664 3.008 -20.823 135 HA MET 15 HA MET 15 0.597 1.359 -18.952 136 HB2 MET 15 2HB MET 15 -1.831 1.304 -19.631 137 HB3 MET 15 3HB MET 15 -1.337 0.438 -21.080 138 HG2 MET 15 2HG MET 15 -1.546 -1.443 -19.943 139 HG3 MET 15 3HG MET 15 -0.162 -0.948 -18.971 140 HE1 MET 15 1HE MET 15 -1.568 -2.831 -17.387 141 HE2 MET 15 2HE MET 15 -0.517 -1.674 -16.571 142 HE3 MET 15 3HE MET 15 -2.124 -2.012 -15.926 143 H ALA 16 H ALA 16 0.395 0.981 -22.492 144 HA ALA 16 HA ALA 16 2.227 -1.222 -22.514 145 HB1 ALA 16 1HB ALA 16 1.727 0.287 -25.008 146 HB2 ALA 16 2HB ALA 16 1.697 -1.451 -24.705 147 HB3 ALA 16 3HB ALA 16 0.328 -0.448 -24.226 148 H HIS 17 H HIS 17 2.740 1.945 -21.923 149 HA HIS 17 HA HIS 17 5.305 2.051 -23.353 150 HB2 HIS 17 2HB HIS 17 3.302 4.020 -22.736 151 HB3 HIS 17 3HB HIS 17 4.837 4.497 -22.018 152 HD1 HIS 17 HD1 HIS 17 6.902 3.982 -23.996 153 HD2 HIS 17 HD2 HIS 17 3.092 5.156 -25.166 154 HE1 HIS 17 HE1 HIS 17 7.174 4.945 -26.303 155 H ILE 18 H ILE 18 3.917 1.582 -20.276 156 HA ILE 18 HA ILE 18 5.778 2.618 -18.518 157 HB ILE 18 HB ILE 18 5.075 0.971 -16.916 158 HG12 ILE 18 2HG1 ILE 18 4.194 -0.549 -19.355 159 HG13 ILE 18 3HG1 ILE 18 5.200 -1.096 -18.018 160 HG21 ILE 18 1HG2 ILE 18 3.472 2.774 -17.803 161 HG22 ILE 18 2HG2 ILE 18 2.632 1.438 -18.587 162 HG23 ILE 18 3HG2 ILE 18 2.799 1.465 -16.832 163 HD11 ILE 18 1HD1 ILE 18 2.232 -0.635 -18.001 164 HD12 ILE 18 2HD1 ILE 18 3.090 -2.168 -17.841 165 HD13 ILE 18 3HD1 ILE 18 3.187 -0.965 -16.556 166 H ARG 19 H ARG 19 5.906 -0.393 -20.359 167 HA ARG 19 HA ARG 19 7.593 -1.855 -20.793 168 HB2 ARG 19 2HB ARG 19 8.721 0.741 -20.869 169 HB3 ARG 19 3HB ARG 19 9.882 -0.296 -20.050 170 HG2 ARG 19 2HG ARG 19 10.382 -1.434 -21.919 171 HG3 ARG 19 3HG ARG 19 8.714 -1.426 -22.495 172 HD2 ARG 19 2HD ARG 19 8.976 0.511 -23.642 173 HD3 ARG 19 3HD ARG 19 10.112 1.176 -22.469 174 HE ARG 19 HE ARG 19 11.433 -0.892 -23.731 175 HH11 ARG 19 1HH1 ARG 19 9.959 2.126 -24.648 176 HH12 ARG 19 2HH1 ARG 19 11.028 2.391 -25.985 177 HH21 ARG 19 1HH2 ARG 19 12.846 -0.554 -25.489 178 HH22 ARG 19 2HH2 ARG 19 12.669 0.866 -26.463 Start of MODEL 8 1 H1 CYS 1 H CYS 1 1.598 -5.610 -2.209 2 HA CYS 1 HA CYS 1 -0.648 -6.592 -3.573 3 HB2 CYS 1 2HB CYS 1 0.068 -5.952 -0.852 4 HB3 CYS 1 3HB CYS 1 -1.574 -5.416 -1.190 5 HG CYS 1 HG CYS 1 -0.829 -8.261 -0.163 6 H PHE 2 H PHE 2 -0.621 -3.536 -1.751 7 HA PHE 2 HA PHE 2 -2.842 -2.410 -2.937 8 HB2 PHE 2 2HB PHE 2 -0.389 -1.035 -1.827 9 HB3 PHE 2 3HB PHE 2 -1.894 -0.210 -2.219 10 HD1 PHE 2 HD1 PHE 2 -4.009 -0.976 -1.016 11 HD2 PHE 2 HD2 PHE 2 -0.082 -2.012 0.258 12 HE1 PHE 2 HE1 PHE 2 -4.876 -1.489 1.228 13 HE2 PHE 2 HE2 PHE 2 -0.943 -2.528 2.504 14 HZ PHE 2 HZ PHE 2 -3.343 -2.267 2.992 15 H LEU 3 H LEU 3 -3.201 -2.124 -5.034 16 HA LEU 3 HA LEU 3 -1.280 -0.604 -6.605 17 HB2 LEU 3 2HB LEU 3 -2.019 -3.437 -7.097 18 HB3 LEU 3 3HB LEU 3 -1.864 -2.376 -8.496 19 HG LEU 3 HG LEU 3 0.455 -1.886 -7.100 20 HD11 LEU 3 1HD1 LEU 3 1.312 -4.298 -6.833 21 HD12 LEU 3 2HD1 LEU 3 -0.393 -4.730 -6.700 22 HD13 LEU 3 3HD1 LEU 3 0.324 -3.607 -5.545 23 HD21 LEU 3 1HD2 LEU 3 -0.100 -2.402 -9.586 24 HD22 LEU 3 2HD2 LEU 3 0.322 -4.058 -9.150 25 HD23 LEU 3 3HD2 LEU 3 1.508 -2.766 -8.959 26 HA PRO 4 HA PRO 4 -5.737 0.535 -7.275 27 HB2 PRO 4 2HB PRO 4 -5.350 3.201 -6.941 28 HB3 PRO 4 3HB PRO 4 -5.674 2.101 -5.596 29 HG2 PRO 4 2HG PRO 4 -3.062 3.210 -6.548 30 HG3 PRO 4 3HG PRO 4 -3.660 3.023 -4.889 31 HD2 PRO 4 2HD PRO 4 -1.911 1.287 -6.012 32 HD3 PRO 4 3HD PRO 4 -3.120 0.783 -4.813 33 H LYS 5 H LYS 5 -6.018 0.305 -9.420 34 HA LYS 5 HA LYS 5 -4.470 2.033 -11.230 35 HB2 LYS 5 2HB LYS 5 -5.529 0.305 -12.944 36 HB3 LYS 5 3HB LYS 5 -4.052 -0.058 -12.059 37 HG2 LYS 5 2HG LYS 5 -5.421 -1.258 -10.373 38 HG3 LYS 5 3HG LYS 5 -6.836 -0.988 -11.393 39 HD2 LYS 5 2HD LYS 5 -4.757 -2.071 -13.007 40 HD3 LYS 5 3HD LYS 5 -4.909 -3.065 -11.556 41 HE2 LYS 5 2HE LYS 5 -6.973 -3.803 -12.120 42 HE3 LYS 5 3HE LYS 5 -7.437 -2.269 -12.854 43 HZ1 LYS 5 1HZ LYS 5 -6.091 -4.571 -14.050 44 HZ2 LYS 5 2HZ LYS 5 -5.657 -3.037 -14.615 45 HZ3 LYS 5 3HZ LYS 5 -7.268 -3.547 -14.705 46 H LEU 6 H LEU 6 -6.629 3.137 -9.837 47 HA LEU 6 HA LEU 6 -9.127 3.109 -10.909 48 HB2 LEU 6 2HB LEU 6 -7.467 5.107 -9.568 49 HB3 LEU 6 3HB LEU 6 -8.733 5.799 -10.580 50 HG LEU 6 HG LEU 6 -9.357 5.534 -8.185 51 HD11 LEU 6 1HD1 LEU 6 -10.930 5.427 -10.255 52 HD12 LEU 6 2HD1 LEU 6 -11.549 5.006 -8.658 53 HD13 LEU 6 3HD1 LEU 6 -11.110 3.733 -9.797 54 HD21 LEU 6 1HD2 LEU 6 -9.772 3.370 -7.264 55 HD22 LEU 6 2HD2 LEU 6 -8.115 3.389 -7.868 56 HD23 LEU 6 3HD2 LEU 6 -9.382 2.583 -8.794 57 H PHE 7 H PHE 7 -6.265 4.640 -12.271 58 HA PHE 7 HA PHE 7 -7.802 5.155 -14.732 59 HB2 PHE 7 2HB PHE 7 -6.794 7.132 -13.228 60 HB3 PHE 7 3HB PHE 7 -5.366 6.769 -14.191 61 HD1 PHE 7 HD1 PHE 7 -5.125 7.692 -16.299 62 HD2 PHE 7 HD2 PHE 7 -8.986 7.550 -14.514 63 HE1 PHE 7 HE1 PHE 7 -6.025 9.045 -18.147 64 HE2 PHE 7 HE2 PHE 7 -9.892 8.902 -16.359 65 HZ PHE 7 HZ PHE 7 -8.412 9.650 -18.179 66 H ALA 8 H ALA 8 -5.306 3.446 -13.314 67 HA ALA 8 HA ALA 8 -3.461 3.347 -15.487 68 HB1 ALA 8 1HB ALA 8 -2.181 2.204 -14.062 69 HB2 ALA 8 2HB ALA 8 -3.426 2.537 -12.857 70 HB3 ALA 8 3HB ALA 8 -3.446 1.015 -13.747 71 H LYS 9 H LYS 9 -6.351 1.596 -14.632 72 HA LYS 9 HA LYS 9 -5.884 -0.472 -16.616 73 HB2 LYS 9 2HB LYS 9 -8.082 -1.340 -15.877 74 HB3 LYS 9 3HB LYS 9 -6.952 -1.133 -14.545 75 HG2 LYS 9 2HG LYS 9 -8.365 0.200 -13.487 76 HG3 LYS 9 3HG LYS 9 -8.491 1.260 -14.894 77 HD2 LYS 9 2HD LYS 9 -10.685 0.498 -14.451 78 HD3 LYS 9 3HD LYS 9 -10.124 -0.423 -15.848 79 HE2 LYS 9 2HE LYS 9 -10.176 -2.374 -14.734 80 HE3 LYS 9 3HE LYS 9 -9.530 -1.660 -13.257 81 HZ1 LYS 9 1HZ LYS 9 -11.598 -2.031 -12.511 82 HZ2 LYS 9 2HZ LYS 9 -12.282 -2.083 -14.056 83 HZ3 LYS 9 3HZ LYS 9 -11.973 -0.593 -13.318 84 H ILE 10 H ILE 10 -7.777 2.446 -16.217 85 HA ILE 10 HA ILE 10 -9.430 2.036 -18.511 86 HB ILE 10 HB ILE 10 -10.334 4.138 -18.114 87 HG12 ILE 10 2HG1 ILE 10 -8.901 5.706 -16.477 88 HG13 ILE 10 3HG1 ILE 10 -7.579 4.816 -17.225 89 HG21 ILE 10 1HG2 ILE 10 -10.107 2.431 -16.039 90 HG22 ILE 10 2HG2 ILE 10 -9.409 3.887 -15.331 91 HG23 ILE 10 3HG2 ILE 10 -11.046 3.923 -15.986 92 HD11 ILE 10 1HD1 ILE 10 -9.122 5.532 -19.374 93 HD12 ILE 10 2HD1 ILE 10 -9.257 6.927 -18.302 94 HD13 ILE 10 3HD1 ILE 10 -7.668 6.361 -18.818 95 H THR 11 H THR 11 -6.271 3.360 -17.962 96 HA THR 11 HA THR 11 -6.147 4.690 -20.531 97 HB THR 11 HB THR 11 -3.711 5.022 -19.899 98 HG1 THR 11 HG1 THR 11 -3.745 3.217 -18.358 99 HG21 THR 11 1HG2 THR 11 -5.819 6.027 -17.982 100 HG22 THR 11 2HG2 THR 11 -5.392 6.755 -19.531 101 HG23 THR 11 3HG2 THR 11 -4.220 6.734 -18.214 102 H LYS 12 H LYS 12 -5.689 3.683 -22.364 103 HA LYS 12 HA LYS 12 -4.067 1.223 -22.255 104 HB2 LYS 12 2HB LYS 12 -5.334 0.619 -24.400 105 HB3 LYS 12 3HB LYS 12 -6.207 0.486 -22.879 106 HG2 LYS 12 2HG LYS 12 -7.697 1.493 -24.386 107 HG3 LYS 12 3HG LYS 12 -7.114 2.800 -23.351 108 HD2 LYS 12 2HD LYS 12 -6.101 3.856 -25.057 109 HD3 LYS 12 3HD LYS 12 -5.496 2.351 -25.754 110 HE2 LYS 12 2HE LYS 12 -7.189 2.228 -27.208 111 HE3 LYS 12 3HE LYS 12 -8.386 2.614 -25.973 112 HZ1 LYS 12 1HZ LYS 12 -8.518 4.385 -27.433 113 HZ2 LYS 12 2HZ LYS 12 -6.848 4.453 -27.690 114 HZ3 LYS 12 3HZ LYS 12 -7.500 4.991 -26.225 115 H LYS 13 H LYS 13 -3.496 4.189 -22.772 116 HA LYS 13 HA LYS 13 -2.115 3.812 -25.349 117 HB2 LYS 13 2HB LYS 13 -2.174 6.504 -25.101 118 HB3 LYS 13 3HB LYS 13 -3.391 5.576 -25.967 119 HG2 LYS 13 2HG LYS 13 -4.953 5.802 -24.289 120 HG3 LYS 13 3HG LYS 13 -3.733 6.097 -23.049 121 HD2 LYS 13 2HD LYS 13 -3.313 8.302 -23.908 122 HD3 LYS 13 3HD LYS 13 -4.363 8.008 -25.297 123 HE2 LYS 13 2HE LYS 13 -6.236 8.416 -24.120 124 HE3 LYS 13 3HE LYS 13 -5.634 7.587 -22.685 125 HZ1 LYS 13 1HZ LYS 13 -5.221 9.549 -21.783 126 HZ2 LYS 13 2HZ LYS 13 -5.768 10.343 -23.172 127 HZ3 LYS 13 3HZ LYS 13 -4.137 9.920 -23.027 128 H ASN 14 H ASN 14 -1.816 6.292 -22.828 129 HA ASN 14 HA ASN 14 0.923 6.566 -22.948 130 HB2 ASN 14 2HB ASN 14 -1.182 7.466 -21.238 131 HB3 ASN 14 3HB ASN 14 0.167 6.945 -20.233 132 HD21 ASN 14 1HD2 ASN 14 -0.396 8.768 -23.226 133 HD22 ASN 14 2HD2 ASN 14 0.732 10.028 -22.870 134 H MET 15 H MET 15 -0.961 4.111 -21.360 135 HA MET 15 HA MET 15 0.935 3.127 -19.552 136 HB2 MET 15 2HB MET 15 -1.502 2.496 -19.683 137 HB3 MET 15 3HB MET 15 -1.096 1.470 -21.052 138 HG2 MET 15 2HG MET 15 -0.696 -0.159 -19.615 139 HG3 MET 15 3HG MET 15 0.708 0.751 -19.062 140 HE1 MET 15 1HE MET 15 0.191 2.701 -16.612 141 HE2 MET 15 2HE MET 15 0.188 1.255 -15.604 142 HE3 MET 15 3HE MET 15 1.172 1.308 -17.067 143 H ALA 16 H ALA 16 0.206 2.029 -22.865 144 HA ALA 16 HA ALA 16 2.440 0.235 -22.926 145 HB1 ALA 16 1HB ALA 16 1.013 1.194 -25.376 146 HB2 ALA 16 2HB ALA 16 1.718 -0.388 -25.041 147 HB3 ALA 16 3HB ALA 16 0.222 0.097 -24.244 148 H HIS 17 H HIS 17 2.351 3.496 -22.958 149 HA HIS 17 HA HIS 17 4.543 3.786 -24.893 150 HB2 HIS 17 2HB HIS 17 2.302 5.440 -24.182 151 HB3 HIS 17 3HB HIS 17 3.799 6.318 -23.885 152 HD1 HIS 17 HD1 HIS 17 4.813 7.424 -25.860 153 HD2 HIS 17 HD2 HIS 17 2.172 4.406 -26.948 154 HE1 HIS 17 HE1 HIS 17 4.651 7.543 -28.367 155 H ILE 18 H ILE 18 3.848 3.680 -21.558 156 HA ILE 18 HA ILE 18 5.719 5.357 -20.413 157 HB ILE 18 HB ILE 18 5.678 3.953 -18.463 158 HG12 ILE 18 2HG1 ILE 18 4.734 1.855 -20.397 159 HG13 ILE 18 3HG1 ILE 18 6.051 1.769 -19.233 160 HG21 ILE 18 1HG2 ILE 18 3.597 5.231 -19.257 161 HG22 ILE 18 2HG2 ILE 18 2.940 3.640 -19.639 162 HG23 ILE 18 3HG2 ILE 18 3.398 4.030 -17.982 163 HD11 ILE 18 1HD1 ILE 18 4.344 1.811 -17.419 164 HD12 ILE 18 2HD1 ILE 18 3.103 1.679 -18.665 165 HD13 ILE 18 3HD1 ILE 18 4.284 0.386 -18.456 166 H ARG 19 H ARG 19 6.170 2.120 -21.750 167 HA ARG 19 HA ARG 19 9.040 2.276 -21.180 168 HB2 ARG 19 2HB ARG 19 7.153 0.045 -21.816 169 HB3 ARG 19 3HB ARG 19 8.861 -0.152 -22.186 170 HG2 ARG 19 2HG ARG 19 9.431 -0.396 -20.033 171 HG3 ARG 19 3HG ARG 19 8.301 0.845 -19.487 172 HD2 ARG 19 2HD ARG 19 6.644 -0.643 -19.115 173 HD3 ARG 19 3HD ARG 19 7.079 -1.632 -20.508 174 HE ARG 19 HE ARG 19 9.086 -2.007 -18.658 175 HH11 ARG 19 1HH1 ARG 19 5.642 -2.493 -18.797 176 HH12 ARG 19 2HH1 ARG 19 5.655 -3.833 -17.700 177 HH21 ARG 19 1HH2 ARG 19 9.117 -3.771 -17.212 178 HH22 ARG 19 2HH2 ARG 19 7.632 -4.559 -16.798 Start of MODEL 9 1 H1 CYS 1 H CYS 1 -3.434 -6.130 0.559 2 HA CYS 1 HA CYS 1 -2.351 -5.456 -1.331 3 HB2 CYS 1 2HB CYS 1 -5.078 -4.750 -2.402 4 HB3 CYS 1 3HB CYS 1 -3.686 -5.366 -3.284 5 HG CYS 1 HG CYS 1 -4.734 -7.711 -3.348 6 H PHE 2 H PHE 2 -2.759 -3.537 -3.220 7 HA PHE 2 HA PHE 2 -3.536 -1.008 -2.354 8 HB2 PHE 2 2HB PHE 2 -1.197 -0.034 -2.000 9 HB3 PHE 2 3HB PHE 2 -1.870 -0.986 -0.681 10 HD1 PHE 2 HD1 PHE 2 0.301 -1.341 -3.686 11 HD2 PHE 2 HD2 PHE 2 -0.598 -2.663 0.258 12 HE1 PHE 2 HE1 PHE 2 2.295 -2.782 -3.718 13 HE2 PHE 2 HE2 PHE 2 1.395 -4.105 0.233 14 HZ PHE 2 HZ PHE 2 2.845 -4.165 -1.756 15 H LEU 3 H LEU 3 -2.385 0.773 -3.684 16 HA LEU 3 HA LEU 3 -1.887 1.630 -5.729 17 HB2 LEU 3 2HB LEU 3 0.145 0.146 -5.298 18 HB3 LEU 3 3HB LEU 3 -0.611 -1.006 -6.398 19 HG LEU 3 HG LEU 3 -0.635 1.034 -8.040 20 HD11 LEU 3 1HD1 LEU 3 0.425 2.342 -5.934 21 HD12 LEU 3 2HD1 LEU 3 0.696 2.796 -7.616 22 HD13 LEU 3 3HD1 LEU 3 1.894 1.823 -6.761 23 HD21 LEU 3 1HD2 LEU 3 1.900 -0.454 -7.364 24 HD22 LEU 3 2HD2 LEU 3 1.531 0.331 -8.899 25 HD23 LEU 3 3HD2 LEU 3 0.588 -1.063 -8.371 26 HA PRO 4 HA PRO 4 -5.462 -0.754 -7.520 27 HB2 PRO 4 2HB PRO 4 -7.109 1.396 -7.715 28 HB3 PRO 4 3HB PRO 4 -6.989 0.407 -6.255 29 HG2 PRO 4 2HG PRO 4 -5.699 3.037 -6.873 30 HG3 PRO 4 3HG PRO 4 -6.476 2.496 -5.373 31 HD2 PRO 4 2HD PRO 4 -3.787 2.513 -5.697 32 HD3 PRO 4 3HD PRO 4 -4.620 1.310 -4.691 33 H LYS 5 H LYS 5 -6.721 -0.118 -9.560 34 HA LYS 5 HA LYS 5 -4.925 1.338 -11.390 35 HB2 LYS 5 2HB LYS 5 -6.315 -0.284 -13.059 36 HB3 LYS 5 3HB LYS 5 -4.747 -0.689 -12.374 37 HG2 LYS 5 2HG LYS 5 -5.635 -2.176 -10.865 38 HG3 LYS 5 3HG LYS 5 -7.221 -1.402 -10.873 39 HD2 LYS 5 2HD LYS 5 -7.303 -3.556 -12.010 40 HD3 LYS 5 3HD LYS 5 -7.613 -2.238 -13.143 41 HE2 LYS 5 2HE LYS 5 -5.868 -2.819 -14.396 42 HE3 LYS 5 3HE LYS 5 -4.795 -2.820 -12.998 43 HZ1 LYS 5 1HZ LYS 5 -6.203 -5.092 -12.657 44 HZ2 LYS 5 2HZ LYS 5 -4.674 -5.003 -13.375 45 HZ3 LYS 5 3HZ LYS 5 -6.062 -5.030 -14.342 46 H LEU 6 H LEU 6 -7.036 2.545 -9.899 47 HA LEU 6 HA LEU 6 -9.491 2.821 -11.026 48 HB2 LEU 6 2HB LEU 6 -7.769 4.443 -9.394 49 HB3 LEU 6 3HB LEU 6 -8.676 5.457 -10.514 50 HG LEU 6 HG LEU 6 -10.211 3.433 -8.987 51 HD11 LEU 6 1HD1 LEU 6 -9.230 5.979 -7.707 52 HD12 LEU 6 2HD1 LEU 6 -8.635 4.364 -7.320 53 HD13 LEU 6 3HD1 LEU 6 -10.318 4.784 -7.001 54 HD21 LEU 6 1HD2 LEU 6 -11.809 5.338 -8.899 55 HD22 LEU 6 2HD2 LEU 6 -11.372 4.847 -10.536 56 HD23 LEU 6 3HD2 LEU 6 -10.653 6.294 -9.827 57 H PHE 7 H PHE 7 -6.471 4.196 -12.212 58 HA PHE 7 HA PHE 7 -7.888 4.998 -14.668 59 HB2 PHE 7 2HB PHE 7 -6.739 6.768 -13.002 60 HB3 PHE 7 3HB PHE 7 -5.338 6.355 -13.985 61 HD1 PHE 7 HD1 PHE 7 -4.995 7.421 -16.008 62 HD2 PHE 7 HD2 PHE 7 -8.881 7.450 -14.270 63 HE1 PHE 7 HE1 PHE 7 -5.761 8.978 -17.753 64 HE2 PHE 7 HE2 PHE 7 -9.652 9.006 -16.013 65 HZ PHE 7 HZ PHE 7 -8.092 9.771 -17.757 66 H ALA 8 H ALA 8 -5.590 2.986 -13.316 67 HA ALA 8 HA ALA 8 -3.701 2.869 -15.450 68 HB1 ALA 8 1HB ALA 8 -3.751 1.931 -12.891 69 HB2 ALA 8 2HB ALA 8 -3.987 0.452 -13.824 70 HB3 ALA 8 3HB ALA 8 -2.573 1.464 -14.118 71 H LYS 9 H LYS 9 -6.769 1.363 -14.806 72 HA LYS 9 HA LYS 9 -6.423 -0.614 -16.909 73 HB2 LYS 9 2HB LYS 9 -8.712 -1.325 -16.284 74 HB3 LYS 9 3HB LYS 9 -7.605 -1.317 -14.917 75 HG2 LYS 9 2HG LYS 9 -8.917 0.066 -13.795 76 HG3 LYS 9 3HG LYS 9 -8.913 1.225 -15.127 77 HD2 LYS 9 2HD LYS 9 -11.168 0.679 -14.867 78 HD3 LYS 9 3HD LYS 9 -10.645 -0.333 -16.216 79 HE2 LYS 9 2HE LYS 9 -10.737 -2.264 -14.978 80 HE3 LYS 9 3HE LYS 9 -10.465 -1.426 -13.451 81 HZ1 LYS 9 1HZ LYS 9 -12.940 -0.803 -14.851 82 HZ2 LYS 9 2HZ LYS 9 -12.650 -0.991 -13.196 83 HZ3 LYS 9 3HZ LYS 9 -12.830 -2.354 -14.182 84 H ILE 10 H ILE 10 -8.064 2.428 -16.350 85 HA ILE 10 HA ILE 10 -9.676 2.325 -18.707 86 HB ILE 10 HB ILE 10 -10.402 4.470 -18.186 87 HG12 ILE 10 2HG1 ILE 10 -8.899 5.778 -16.391 88 HG13 ILE 10 3HG1 ILE 10 -7.634 4.826 -17.161 89 HG21 ILE 10 1HG2 ILE 10 -10.394 2.601 -16.236 90 HG22 ILE 10 2HG2 ILE 10 -9.615 3.945 -15.401 91 HG23 ILE 10 3HG2 ILE 10 -11.216 4.156 -16.110 92 HD11 ILE 10 1HD1 ILE 10 -7.529 6.547 -18.580 93 HD12 ILE 10 2HD1 ILE 10 -8.950 5.807 -19.319 94 HD13 ILE 10 3HD1 ILE 10 -9.143 7.122 -18.160 95 H THR 11 H THR 11 -6.434 3.330 -17.984 96 HA THR 11 HA THR 11 -6.117 4.817 -20.448 97 HB THR 11 HB THR 11 -3.685 4.899 -19.735 98 HG1 THR 11 HG1 THR 11 -3.115 4.006 -17.846 99 HG21 THR 11 1HG2 THR 11 -4.099 6.515 -17.933 100 HG22 THR 11 2HG2 THR 11 -5.755 5.926 -17.788 101 HG23 THR 11 3HG2 THR 11 -5.231 6.731 -19.267 102 H LYS 12 H LYS 12 -5.689 3.904 -22.336 103 HA LYS 12 HA LYS 12 -4.287 1.311 -22.364 104 HB2 LYS 12 2HB LYS 12 -5.532 0.912 -24.538 105 HB3 LYS 12 3HB LYS 12 -6.501 0.857 -23.071 106 HG2 LYS 12 2HG LYS 12 -6.299 3.432 -24.544 107 HG3 LYS 12 3HG LYS 12 -7.319 2.151 -25.202 108 HD2 LYS 12 2HD LYS 12 -8.228 2.044 -22.742 109 HD3 LYS 12 3HD LYS 12 -7.597 3.691 -22.660 110 HE2 LYS 12 2HE LYS 12 -9.043 4.453 -24.325 111 HE3 LYS 12 3HE LYS 12 -9.367 2.825 -24.920 112 HZ1 LYS 12 1HZ LYS 12 -10.670 2.357 -23.001 113 HZ2 LYS 12 2HZ LYS 12 -11.215 3.828 -23.633 114 HZ3 LYS 12 3HZ LYS 12 -10.230 3.811 -22.258 115 H LYS 13 H LYS 13 -3.464 4.254 -22.662 116 HA LYS 13 HA LYS 13 -2.033 3.931 -25.219 117 HB2 LYS 13 2HB LYS 13 -1.885 6.597 -24.793 118 HB3 LYS 13 3HB LYS 13 -3.143 5.829 -25.752 119 HG2 LYS 13 2HG LYS 13 -4.736 6.072 -24.106 120 HG3 LYS 13 3HG LYS 13 -3.537 6.188 -22.816 121 HD2 LYS 13 2HD LYS 13 -3.792 8.289 -24.951 122 HD3 LYS 13 3HD LYS 13 -4.761 8.331 -23.476 123 HE2 LYS 13 2HE LYS 13 -2.734 8.367 -22.129 124 HE3 LYS 13 3HE LYS 13 -1.746 8.263 -23.586 125 HZ1 LYS 13 1HZ LYS 13 -1.925 10.535 -22.727 126 HZ2 LYS 13 2HZ LYS 13 -3.601 10.494 -22.950 127 HZ3 LYS 13 3HZ LYS 13 -2.568 10.401 -24.286 128 H ASN 14 H ASN 14 -1.620 6.209 -22.530 129 HA ASN 14 HA ASN 14 1.134 6.270 -22.555 130 HB2 ASN 14 2HB ASN 14 -0.952 7.206 -20.833 131 HB3 ASN 14 3HB ASN 14 0.335 6.526 -19.841 132 HD21 ASN 14 1HD2 ASN 14 -0.748 9.298 -21.063 133 HD22 ASN 14 2HD2 ASN 14 0.733 10.170 -21.242 134 H MET 15 H MET 15 -0.986 3.873 -21.186 135 HA MET 15 HA MET 15 0.776 2.620 -19.409 136 HB2 MET 15 2HB MET 15 -1.699 2.201 -19.634 137 HB3 MET 15 3HB MET 15 -1.341 1.238 -21.061 138 HG2 MET 15 2HG MET 15 -1.113 -0.510 -19.730 139 HG3 MET 15 3HG MET 15 0.346 0.242 -19.089 140 HE1 MET 15 1HE MET 15 0.479 0.640 -16.309 141 HE2 MET 15 2HE MET 15 0.280 2.056 -17.342 142 HE3 MET 15 3HE MET 15 -0.678 1.897 -15.869 143 H ALA 16 H ALA 16 0.049 1.807 -22.804 144 HA ALA 16 HA ALA 16 2.132 -0.156 -22.941 145 HB1 ALA 16 1HB ALA 16 1.473 -0.501 -25.172 146 HB2 ALA 16 2HB ALA 16 -0.014 -0.126 -24.300 147 HB3 ALA 16 3HB ALA 16 0.759 1.107 -25.297 148 H HIS 17 H HIS 17 2.307 3.097 -22.751 149 HA HIS 17 HA HIS 17 4.566 3.333 -24.615 150 HB2 HIS 17 2HB HIS 17 2.448 5.115 -23.839 151 HB3 HIS 17 3HB HIS 17 4.003 5.845 -23.451 152 HD1 HIS 17 HD1 HIS 17 1.771 6.301 -25.917 153 HD2 HIS 17 HD2 HIS 17 5.706 4.979 -26.075 154 HE1 HIS 17 HE1 HIS 17 2.546 6.777 -28.262 155 H ILE 18 H ILE 18 3.777 3.062 -21.311 156 HA ILE 18 HA ILE 18 5.746 4.500 -20.014 157 HB ILE 18 HB ILE 18 5.541 2.976 -18.166 158 HG12 ILE 18 2HG1 ILE 18 4.481 1.097 -20.259 159 HG13 ILE 18 3HG1 ILE 18 5.756 0.825 -19.076 160 HG21 ILE 18 1HG2 ILE 18 3.591 4.472 -18.914 161 HG22 ILE 18 2HG2 ILE 18 2.818 2.970 -19.419 162 HG23 ILE 18 3HG2 ILE 18 3.262 3.208 -17.729 163 HD11 ILE 18 1HD1 ILE 18 2.796 0.941 -18.578 164 HD12 ILE 18 2HD1 ILE 18 3.864 -0.455 -18.430 165 HD13 ILE 18 3HD1 ILE 18 4.009 0.891 -17.300 166 H ARG 19 H ARG 19 5.969 1.332 -21.560 167 HA ARG 19 HA ARG 19 8.827 1.213 -20.921 168 HB2 ARG 19 2HB ARG 19 7.364 -0.773 -20.477 169 HB3 ARG 19 3HB ARG 19 7.102 -0.906 -22.210 170 HG2 ARG 19 2HG ARG 19 8.805 -2.376 -22.022 171 HG3 ARG 19 3HG ARG 19 9.765 -0.906 -22.203 172 HD2 ARG 19 2HD ARG 19 9.676 -0.762 -19.647 173 HD3 ARG 19 3HD ARG 19 9.125 -2.436 -19.700 174 HE ARG 19 HE ARG 19 11.788 -1.483 -20.144 175 HH11 ARG 19 1HH1 ARG 19 9.520 -4.014 -20.899 176 HH12 ARG 19 2HH1 ARG 19 10.747 -5.192 -21.232 177 HH21 ARG 19 1HH2 ARG 19 13.412 -3.024 -20.581 178 HH22 ARG 19 2HH2 ARG 19 12.960 -4.628 -21.050 Start of MODEL 10 1 H1 CYS 1 H CYS 1 -3.084 2.031 -0.156 2 HA CYS 1 HA CYS 1 -1.176 0.461 -1.583 3 HB2 CYS 1 2HB CYS 1 -2.638 0.284 0.897 4 HB3 CYS 1 3HB CYS 1 -2.714 -1.250 0.039 5 HG CYS 1 HG CYS 1 0.312 0.240 0.381 6 H PHE 2 H PHE 2 -4.538 -0.435 -0.838 7 HA PHE 2 HA PHE 2 -4.821 -2.359 -2.793 8 HB2 PHE 2 2HB PHE 2 -6.878 -0.537 -1.543 9 HB3 PHE 2 3HB PHE 2 -7.304 -1.865 -2.618 10 HD1 PHE 2 HD1 PHE 2 -6.322 -4.198 -1.951 11 HD2 PHE 2 HD2 PHE 2 -6.786 -0.918 0.722 12 HE1 PHE 2 HE1 PHE 2 -6.292 -5.752 -0.044 13 HE2 PHE 2 HE2 PHE 2 -6.757 -2.467 2.633 14 HZ PHE 2 HZ PHE 2 -6.509 -4.888 2.252 15 H LEU 3 H LEU 3 -5.440 -2.403 -4.912 16 HA LEU 3 HA LEU 3 -5.584 -1.680 -7.065 17 HB2 LEU 3 2HB LEU 3 -7.217 0.337 -5.572 18 HB3 LEU 3 3HB LEU 3 -6.983 0.484 -7.312 19 HG LEU 3 HG LEU 3 -8.064 -2.049 -6.133 20 HD11 LEU 3 1HD1 LEU 3 -10.186 -1.262 -5.920 21 HD12 LEU 3 2HD1 LEU 3 -9.953 0.017 -7.112 22 HD13 LEU 3 3HD1 LEU 3 -9.305 0.203 -5.483 23 HD21 LEU 3 1HD2 LEU 3 -7.662 -2.423 -8.352 24 HD22 LEU 3 2HD2 LEU 3 -7.929 -0.739 -8.801 25 HD23 LEU 3 3HD2 LEU 3 -9.304 -1.785 -8.443 26 HA PRO 4 HA PRO 4 -2.053 1.288 -6.423 27 HB2 PRO 4 2HB PRO 4 -0.234 -0.205 -7.776 28 HB3 PRO 4 3HB PRO 4 -0.560 -0.419 -6.052 29 HG2 PRO 4 2HG PRO 4 -1.582 -1.995 -8.382 30 HG3 PRO 4 3HG PRO 4 -0.987 -2.573 -6.815 31 HD2 PRO 4 2HD PRO 4 -3.626 -2.372 -7.387 32 HD3 PRO 4 3HD PRO 4 -2.982 -2.126 -5.751 33 H LYS 5 H LYS 5 -3.633 -0.233 -9.080 34 HA LYS 5 HA LYS 5 -2.476 1.718 -10.955 35 HB2 LYS 5 2HB LYS 5 -3.740 0.085 -12.622 36 HB3 LYS 5 3HB LYS 5 -2.124 -0.273 -12.027 37 HG2 LYS 5 2HG LYS 5 -3.144 -1.678 -10.256 38 HG3 LYS 5 3HG LYS 5 -4.720 -1.399 -11.000 39 HD2 LYS 5 2HD LYS 5 -2.907 -2.234 -13.028 40 HD3 LYS 5 3HD LYS 5 -2.769 -3.350 -11.667 41 HE2 LYS 5 2HE LYS 5 -5.520 -2.617 -12.374 42 HE3 LYS 5 3HE LYS 5 -4.653 -3.500 -13.630 43 HZ1 LYS 5 1HZ LYS 5 -5.869 -4.946 -12.069 44 HZ2 LYS 5 2HZ LYS 5 -4.882 -4.398 -10.810 45 HZ3 LYS 5 3HZ LYS 5 -4.208 -5.264 -12.097 46 H LEU 6 H LEU 6 -4.411 2.589 -9.135 47 HA LEU 6 HA LEU 6 -7.050 2.521 -9.780 48 HB2 LEU 6 2HB LEU 6 -5.270 4.437 -8.512 49 HB3 LEU 6 3HB LEU 6 -6.641 5.213 -9.303 50 HG LEU 6 HG LEU 6 -7.457 2.947 -7.681 51 HD11 LEU 6 1HD1 LEU 6 -6.985 3.910 -5.515 52 HD12 LEU 6 2HD1 LEU 6 -6.117 5.248 -6.267 53 HD13 LEU 6 3HD1 LEU 6 -5.476 3.609 -6.377 54 HD21 LEU 6 1HD2 LEU 6 -8.898 4.750 -8.623 55 HD22 LEU 6 2HD2 LEU 6 -8.149 5.874 -7.489 56 HD23 LEU 6 3HD2 LEU 6 -9.087 4.507 -6.886 57 H PHE 7 H PHE 7 -4.518 4.307 -11.453 58 HA PHE 7 HA PHE 7 -6.465 4.934 -13.574 59 HB2 PHE 7 2HB PHE 7 -5.296 6.835 -12.084 60 HB3 PHE 7 3HB PHE 7 -4.042 6.631 -13.303 61 HD1 PHE 7 HD1 PHE 7 -4.207 7.738 -15.328 62 HD2 PHE 7 HD2 PHE 7 -7.693 7.231 -12.940 63 HE1 PHE 7 HE1 PHE 7 -5.468 9.185 -16.868 64 HE2 PHE 7 HE2 PHE 7 -8.960 8.676 -14.476 65 HZ PHE 7 HZ PHE 7 -7.848 9.654 -16.443 66 H ALA 8 H ALA 8 -3.702 3.254 -12.739 67 HA ALA 8 HA ALA 8 -2.242 3.432 -15.183 68 HB1 ALA 8 1HB ALA 8 -0.697 2.248 -14.093 69 HB2 ALA 8 2HB ALA 8 -1.735 2.416 -12.676 70 HB3 ALA 8 3HB ALA 8 -1.843 0.972 -13.682 71 H LYS 9 H LYS 9 -4.881 1.470 -14.033 72 HA LYS 9 HA LYS 9 -4.666 -0.404 -16.242 73 HB2 LYS 9 2HB LYS 9 -6.673 -1.448 -15.234 74 HB3 LYS 9 3HB LYS 9 -5.345 -1.290 -14.093 75 HG2 LYS 9 2HG LYS 9 -6.613 -0.130 -12.701 76 HG3 LYS 9 3HG LYS 9 -7.012 1.036 -13.965 77 HD2 LYS 9 2HD LYS 9 -9.092 0.193 -13.385 78 HD3 LYS 9 3HD LYS 9 -8.659 -0.794 -14.783 79 HE2 LYS 9 2HE LYS 9 -7.800 -1.805 -12.143 80 HE3 LYS 9 3HE LYS 9 -9.535 -1.813 -12.454 81 HZ1 LYS 9 1HZ LYS 9 -8.343 -3.883 -13.104 82 HZ2 LYS 9 2HZ LYS 9 -7.541 -2.998 -14.301 83 HZ3 LYS 9 3HZ LYS 9 -9.223 -3.166 -14.359 84 H ILE 10 H ILE 10 -6.586 2.361 -15.277 85 HA ILE 10 HA ILE 10 -8.582 2.051 -17.296 86 HB ILE 10 HB ILE 10 -9.487 4.065 -16.573 87 HG12 ILE 10 2HG1 ILE 10 -7.864 5.565 -15.053 88 HG13 ILE 10 3HG1 ILE 10 -6.650 4.809 -16.081 89 HG21 ILE 10 1HG2 ILE 10 -8.850 2.206 -14.724 90 HG22 ILE 10 2HG2 ILE 10 -8.109 3.637 -14.009 91 HG23 ILE 10 3HG2 ILE 10 -9.831 3.633 -14.389 92 HD11 ILE 10 1HD1 ILE 10 -7.068 6.570 -17.402 93 HD12 ILE 10 2HD1 ILE 10 -8.437 5.594 -17.936 94 HD13 ILE 10 3HD1 ILE 10 -8.668 6.843 -16.713 95 H THR 11 H THR 11 -5.432 3.499 -17.157 96 HA THR 11 HA THR 11 -5.797 5.032 -19.587 97 HB THR 11 HB THR 11 -3.309 5.459 -19.334 98 HG1 THR 11 HG1 THR 11 -2.605 3.807 -18.064 99 HG21 THR 11 1HG2 THR 11 -4.986 7.049 -18.536 100 HG22 THR 11 2HG2 THR 11 -3.602 6.997 -17.443 101 HG23 THR 11 3HG2 THR 11 -5.100 6.174 -17.009 102 H LYS 12 H LYS 12 -5.591 4.210 -21.554 103 HA LYS 12 HA LYS 12 -3.892 1.829 -21.916 104 HB2 LYS 12 2HB LYS 12 -5.454 1.381 -23.910 105 HB3 LYS 12 3HB LYS 12 -6.064 1.043 -22.295 106 HG2 LYS 12 2HG LYS 12 -7.808 2.120 -23.453 107 HG3 LYS 12 3HG LYS 12 -7.137 3.321 -22.348 108 HD2 LYS 12 2HD LYS 12 -6.533 4.664 -24.029 109 HD3 LYS 12 3HD LYS 12 -5.809 3.332 -24.933 110 HE2 LYS 12 2HE LYS 12 -8.782 3.590 -24.801 111 HE3 LYS 12 3HE LYS 12 -7.868 4.623 -25.898 112 HZ1 LYS 12 1HZ LYS 12 -8.173 1.696 -25.936 113 HZ2 LYS 12 2HZ LYS 12 -6.807 2.406 -26.636 114 HZ3 LYS 12 3HZ LYS 12 -8.351 2.805 -27.201 115 H LYS 13 H LYS 13 -3.540 4.873 -22.251 116 HA LYS 13 HA LYS 13 -2.743 4.897 -25.079 117 HB2 LYS 13 2HB LYS 13 -2.464 7.407 -23.601 118 HB3 LYS 13 3HB LYS 13 -3.257 7.088 -25.139 119 HG2 LYS 13 2HG LYS 13 -5.150 6.082 -23.756 120 HG3 LYS 13 3HG LYS 13 -4.385 6.864 -22.371 121 HD2 LYS 13 2HD LYS 13 -5.910 8.465 -23.047 122 HD3 LYS 13 3HD LYS 13 -4.442 8.985 -23.878 123 HE2 LYS 13 2HE LYS 13 -6.202 7.080 -25.309 124 HE3 LYS 13 3HE LYS 13 -6.799 8.727 -25.112 125 HZ1 LYS 13 1HZ LYS 13 -4.476 7.762 -26.622 126 HZ2 LYS 13 2HZ LYS 13 -4.426 9.321 -25.968 127 HZ3 LYS 13 3HZ LYS 13 -5.647 8.902 -27.061 128 H ASN 14 H ASN 14 -1.478 6.478 -22.146 129 HA ASN 14 HA ASN 14 1.180 6.542 -23.048 130 HB2 ASN 14 2HB ASN 14 -0.270 7.314 -20.687 131 HB3 ASN 14 3HB ASN 14 1.229 6.513 -20.223 132 HD21 ASN 14 1HD2 ASN 14 2.733 7.947 -19.809 133 HD22 ASN 14 2HD2 ASN 14 3.044 9.390 -20.707 134 H MET 15 H MET 15 -0.685 4.000 -21.732 135 HA MET 15 HA MET 15 1.258 2.460 -20.441 136 HB2 MET 15 2HB MET 15 -1.234 2.067 -20.449 137 HB3 MET 15 3HB MET 15 -1.052 1.377 -22.056 138 HG2 MET 15 2HG MET 15 -0.682 -0.579 -21.099 139 HG3 MET 15 3HG MET 15 0.839 0.068 -20.488 140 HE1 MET 15 1HE MET 15 -0.054 -1.558 -17.227 141 HE2 MET 15 2HE MET 15 -0.616 -2.330 -18.710 142 HE3 MET 15 3HE MET 15 0.951 -1.519 -18.677 143 H ALA 16 H ALA 16 0.128 2.266 -23.818 144 HA ALA 16 HA ALA 16 2.159 0.382 -24.549 145 HB1 ALA 16 1HB ALA 16 -0.192 0.791 -25.600 146 HB2 ALA 16 2HB ALA 16 0.662 1.996 -26.565 147 HB3 ALA 16 3HB ALA 16 1.160 0.305 -26.623 148 H HIS 17 H HIS 17 2.387 3.550 -23.803 149 HA HIS 17 HA HIS 17 4.412 4.141 -25.848 150 HB2 HIS 17 2HB HIS 17 2.417 5.732 -24.524 151 HB3 HIS 17 3HB HIS 17 4.013 6.399 -24.198 152 HD1 HIS 17 HD1 HIS 17 1.641 5.682 -27.021 153 HD2 HIS 17 HD2 HIS 17 5.257 7.619 -26.357 154 HE1 HIS 17 HE1 HIS 17 2.106 6.977 -29.125 155 H ILE 18 H ILE 18 4.015 3.278 -22.575 156 HA ILE 18 HA ILE 18 6.136 4.486 -21.284 157 HB ILE 18 HB ILE 18 6.136 2.657 -19.725 158 HG12 ILE 18 2HG1 ILE 18 4.821 1.166 -21.980 159 HG13 ILE 18 3HG1 ILE 18 6.224 0.704 -21.023 160 HG21 ILE 18 1HG2 ILE 18 4.123 4.237 -19.966 161 HG22 ILE 18 2HG2 ILE 18 3.284 2.834 -20.628 162 HG23 ILE 18 3HG2 ILE 18 3.928 2.783 -18.987 163 HD11 ILE 18 1HD1 ILE 18 4.409 -0.694 -20.398 164 HD12 ILE 18 2HD1 ILE 18 4.700 0.430 -19.070 165 HD13 ILE 18 3HD1 ILE 18 3.345 0.693 -20.167 166 H ARG 19 H ARG 19 6.147 1.647 -23.384 167 HA ARG 19 HA ARG 19 8.822 0.884 -22.949 168 HB2 ARG 19 2HB ARG 19 6.692 -0.088 -24.423 169 HB3 ARG 19 3HB ARG 19 7.854 0.382 -25.656 170 HG2 ARG 19 2HG ARG 19 8.955 -1.502 -25.312 171 HG3 ARG 19 3HG ARG 19 9.284 -0.996 -23.653 172 HD2 ARG 19 2HD ARG 19 6.738 -1.841 -23.401 173 HD3 ARG 19 3HD ARG 19 7.287 -2.896 -24.703 174 HE ARG 19 HE ARG 19 8.637 -3.996 -23.207 175 HH11 ARG 19 1HH1 ARG 19 7.478 -1.042 -21.776 176 HH12 ARG 19 2HH1 ARG 19 8.064 -1.426 -20.191 177 HH21 ARG 19 1HH2 ARG 19 9.414 -4.514 -21.125 178 HH22 ARG 19 2HH2 ARG 19 9.166 -3.401 -19.823 Start of MODEL 11 1 H1 CYS 1 H CYS 1 -5.181 2.876 -0.467 2 HA CYS 1 HA CYS 1 -2.593 2.879 0.223 3 HB2 CYS 1 2HB CYS 1 -4.083 1.035 1.993 4 HB3 CYS 1 3HB CYS 1 -2.588 0.402 1.315 5 HG CYS 1 HG CYS 1 -0.898 2.052 2.552 6 H PHE 2 H PHE 2 -1.531 0.463 -0.282 7 HA PHE 2 HA PHE 2 -1.117 -1.076 -1.906 8 HB2 PHE 2 2HB PHE 2 -3.764 -1.413 -1.361 9 HB3 PHE 2 3HB PHE 2 -3.822 -1.041 -3.080 10 HD1 PHE 2 HD1 PHE 2 -2.074 -3.244 -0.643 11 HD2 PHE 2 HD2 PHE 2 -3.494 -2.727 -4.622 12 HE1 PHE 2 HE1 PHE 2 -1.461 -5.570 -1.161 13 HE2 PHE 2 HE2 PHE 2 -2.884 -5.052 -5.146 14 HZ PHE 2 HZ PHE 2 -1.867 -6.477 -3.414 15 H LEU 3 H LEU 3 -1.393 -1.408 -4.399 16 HA LEU 3 HA LEU 3 -1.446 1.232 -5.702 17 HB2 LEU 3 2HB LEU 3 0.488 -1.009 -6.273 18 HB3 LEU 3 3HB LEU 3 0.421 0.543 -7.106 19 HG LEU 3 HG LEU 3 0.796 1.389 -4.576 20 HD11 LEU 3 1HD1 LEU 3 1.210 -0.401 -3.285 21 HD12 LEU 3 2HD1 LEU 3 2.817 -0.316 -4.006 22 HD13 LEU 3 3HD1 LEU 3 1.616 -1.431 -4.657 23 HD21 LEU 3 1HD2 LEU 3 3.235 1.487 -5.187 24 HD22 LEU 3 2HD2 LEU 3 2.126 2.161 -6.382 25 HD23 LEU 3 3HD2 LEU 3 2.832 0.563 -6.634 26 HA PRO 4 HA PRO 4 -4.282 -1.789 -7.840 27 HB2 PRO 4 2HB PRO 4 -6.416 -0.112 -7.914 28 HB3 PRO 4 3HB PRO 4 -6.079 -1.179 -6.545 29 HG2 PRO 4 2HG PRO 4 -5.486 1.738 -6.863 30 HG3 PRO 4 3HG PRO 4 -6.131 0.875 -5.455 31 HD2 PRO 4 2HD PRO 4 -3.529 1.597 -5.656 32 HD3 PRO 4 3HD PRO 4 -4.050 0.130 -4.801 33 H LYS 5 H LYS 5 -5.860 -1.014 -9.766 34 HA LYS 5 HA LYS 5 -4.255 0.788 -11.460 35 HB2 LYS 5 2HB LYS 5 -5.586 -0.731 -13.269 36 HB3 LYS 5 3HB LYS 5 -3.964 -1.086 -12.689 37 HG2 LYS 5 2HG LYS 5 -4.673 -2.808 -11.341 38 HG3 LYS 5 3HG LYS 5 -6.314 -2.170 -11.209 39 HD2 LYS 5 2HD LYS 5 -6.272 -4.175 -12.594 40 HD3 LYS 5 3HD LYS 5 -6.730 -2.763 -13.550 41 HE2 LYS 5 2HE LYS 5 -4.642 -2.666 -14.610 42 HE3 LYS 5 3HE LYS 5 -3.884 -3.706 -13.405 43 HZ1 LYS 5 1HZ LYS 5 -4.910 -5.589 -14.281 44 HZ2 LYS 5 2HZ LYS 5 -4.430 -4.722 -15.651 45 HZ3 LYS 5 3HZ LYS 5 -6.048 -4.696 -15.158 46 H LEU 6 H LEU 6 -6.389 1.638 -9.770 47 HA LEU 6 HA LEU 6 -8.901 1.848 -10.775 48 HB2 LEU 6 2HB LEU 6 -7.202 3.481 -9.080 49 HB3 LEU 6 3HB LEU 6 -8.371 4.448 -9.978 50 HG LEU 6 HG LEU 6 -9.190 2.070 -8.329 51 HD11 LEU 6 1HD1 LEU 6 -8.451 3.245 -6.559 52 HD12 LEU 6 2HD1 LEU 6 -9.918 4.187 -6.822 53 HD13 LEU 6 3HD1 LEU 6 -8.377 4.760 -7.459 54 HD21 LEU 6 1HD2 LEU 6 -10.881 2.719 -9.843 55 HD22 LEU 6 2HD2 LEU 6 -10.610 4.434 -9.531 56 HD23 LEU 6 3HD2 LEU 6 -11.333 3.413 -8.286 57 H PHE 7 H PHE 7 -6.047 3.594 -11.884 58 HA PHE 7 HA PHE 7 -7.622 4.553 -14.183 59 HB2 PHE 7 2HB PHE 7 -6.544 6.206 -12.352 60 HB3 PHE 7 3HB PHE 7 -5.163 6.033 -13.430 61 HD1 PHE 7 HD1 PHE 7 -5.003 7.358 -15.317 62 HD2 PHE 7 HD2 PHE 7 -8.793 6.844 -13.450 63 HE1 PHE 7 HE1 PHE 7 -5.973 9.038 -16.831 64 HE2 PHE 7 HE2 PHE 7 -9.769 8.522 -14.961 65 HZ PHE 7 HZ PHE 7 -8.359 9.621 -16.654 66 H ALA 8 H ALA 8 -5.122 2.595 -13.151 67 HA ALA 8 HA ALA 8 -3.313 2.885 -15.338 68 HB1 ALA 8 1HB ALA 8 -3.190 1.653 -12.909 69 HB2 ALA 8 2HB ALA 8 -3.345 0.279 -14.005 70 HB3 ALA 8 3HB ALA 8 -2.027 1.432 -14.217 71 H LYS 9 H LYS 9 -6.229 1.071 -14.791 72 HA LYS 9 HA LYS 9 -5.810 -0.612 -17.125 73 HB2 LYS 9 2HB LYS 9 -8.010 -1.580 -16.521 74 HB3 LYS 9 3HB LYS 9 -6.851 -1.643 -15.200 75 HG2 LYS 9 2HG LYS 9 -8.221 -0.518 -13.876 76 HG3 LYS 9 3HG LYS 9 -8.361 0.789 -15.055 77 HD2 LYS 9 2HD LYS 9 -10.328 0.020 -15.866 78 HD3 LYS 9 3HD LYS 9 -9.862 -1.672 -15.680 79 HE2 LYS 9 2HE LYS 9 -10.106 -1.225 -13.151 80 HE3 LYS 9 3HE LYS 9 -11.007 0.207 -13.644 81 HZ1 LYS 9 1HZ LYS 9 -11.937 -2.407 -13.440 82 HZ2 LYS 9 2HZ LYS 9 -11.943 -2.019 -15.086 83 HZ3 LYS 9 3HZ LYS 9 -12.782 -1.047 -13.985 84 H ILE 10 H ILE 10 -7.667 2.193 -16.152 85 HA ILE 10 HA ILE 10 -9.360 2.234 -18.452 86 HB ILE 10 HB ILE 10 -10.228 4.239 -17.656 87 HG12 ILE 10 2HG1 ILE 10 -8.762 5.440 -15.759 88 HG13 ILE 10 3HG1 ILE 10 -7.458 4.693 -16.675 89 HG21 ILE 10 1HG2 ILE 10 -9.996 2.157 -15.948 90 HG22 ILE 10 2HG2 ILE 10 -9.301 3.455 -14.979 91 HG23 ILE 10 3HG2 ILE 10 -10.938 3.611 -15.615 92 HD11 ILE 10 1HD1 ILE 10 -8.916 5.811 -18.663 93 HD12 ILE 10 2HD1 ILE 10 -9.179 6.958 -17.350 94 HD13 ILE 10 3HD1 ILE 10 -7.539 6.576 -17.871 95 H THR 11 H THR 11 -6.181 3.417 -17.715 96 HA THR 11 HA THR 11 -6.085 5.201 -19.994 97 HB THR 11 HB THR 11 -3.643 5.411 -19.352 98 HG1 THR 11 HG1 THR 11 -3.306 3.524 -18.212 99 HG21 THR 11 1HG2 THR 11 -4.113 6.757 -17.351 100 HG22 THR 11 2HG2 THR 11 -5.707 6.013 -17.229 101 HG23 THR 11 3HG2 THR 11 -5.313 7.033 -18.613 102 H LYS 12 H LYS 12 -5.643 4.563 -21.990 103 HA LYS 12 HA LYS 12 -4.067 2.100 -22.366 104 HB2 LYS 12 2HB LYS 12 -5.342 1.978 -24.598 105 HB3 LYS 12 3HB LYS 12 -6.205 1.533 -23.132 106 HG2 LYS 12 2HG LYS 12 -7.684 2.856 -24.400 107 HG3 LYS 12 3HG LYS 12 -7.108 3.885 -23.087 108 HD2 LYS 12 2HD LYS 12 -6.173 5.334 -24.508 109 HD3 LYS 12 3HD LYS 12 -5.412 4.043 -25.442 110 HE2 LYS 12 2HE LYS 12 -8.322 4.787 -25.677 111 HE3 LYS 12 3HE LYS 12 -7.058 5.457 -26.707 112 HZ1 LYS 12 1HZ LYS 12 -6.552 2.895 -27.019 113 HZ2 LYS 12 2HZ LYS 12 -7.676 3.711 -27.984 114 HZ3 LYS 12 3HZ LYS 12 -8.205 2.775 -26.678 115 H LYS 13 H LYS 13 -3.471 5.124 -22.314 116 HA LYS 13 HA LYS 13 -2.263 5.362 -24.982 117 HB2 LYS 13 2HB LYS 13 -2.042 7.683 -23.214 118 HB3 LYS 13 3HB LYS 13 -2.617 7.583 -24.873 119 HG2 LYS 13 2HG LYS 13 -4.757 6.601 -23.890 120 HG3 LYS 13 3HG LYS 13 -4.157 7.179 -22.334 121 HD2 LYS 13 2HD LYS 13 -5.456 8.956 -23.041 122 HD3 LYS 13 3HD LYS 13 -3.849 9.436 -23.591 123 HE2 LYS 13 2HE LYS 13 -4.359 9.119 -25.791 124 HE3 LYS 13 3HE LYS 13 -5.518 7.835 -25.450 125 HZ1 LYS 13 1HZ LYS 13 -6.139 10.394 -26.102 126 HZ2 LYS 13 2HZ LYS 13 -6.333 10.386 -24.422 127 HZ3 LYS 13 3HZ LYS 13 -7.190 9.284 -25.378 128 H ASN 14 H ASN 14 -1.347 6.539 -21.745 129 HA ASN 14 HA ASN 14 1.413 6.480 -22.248 130 HB2 ASN 14 2HB ASN 14 -0.319 7.118 -20.042 131 HB3 ASN 14 3HB ASN 14 1.040 6.156 -19.467 132 HD21 ASN 14 1HD2 ASN 14 1.996 7.830 -18.371 133 HD22 ASN 14 2HD2 ASN 14 2.745 9.168 -19.167 134 H MET 15 H MET 15 -0.784 3.973 -21.506 135 HA MET 15 HA MET 15 0.843 2.158 -20.138 136 HB2 MET 15 2HB MET 15 -1.639 1.967 -20.541 137 HB3 MET 15 3HB MET 15 -1.265 1.434 -22.175 138 HG2 MET 15 2HG MET 15 -1.165 -0.633 -21.404 139 HG3 MET 15 3HG MET 15 0.286 -0.176 -20.515 140 HE1 MET 15 1HE MET 15 -2.206 -2.368 -18.190 141 HE2 MET 15 2HE MET 15 -2.501 -2.301 -19.928 142 HE3 MET 15 3HE MET 15 -0.855 -2.487 -19.319 143 H ALA 16 H ALA 16 0.218 2.405 -23.640 144 HA ALA 16 HA ALA 16 2.212 0.451 -24.288 145 HB1 ALA 16 1HB ALA 16 1.024 2.407 -26.229 146 HB2 ALA 16 2HB ALA 16 1.606 0.769 -26.527 147 HB3 ALA 16 3HB ALA 16 0.112 1.024 -25.625 148 H HIS 17 H HIS 17 2.527 3.496 -23.161 149 HA HIS 17 HA HIS 17 4.867 4.133 -24.820 150 HB2 HIS 17 2HB HIS 17 2.802 5.732 -23.618 151 HB3 HIS 17 3HB HIS 17 4.372 6.233 -22.996 152 HD1 HIS 17 HD1 HIS 17 2.334 7.635 -25.184 153 HD2 HIS 17 HD2 HIS 17 6.069 5.926 -25.813 154 HE1 HIS 17 HE1 HIS 17 3.207 8.685 -27.296 155 H ILE 18 H ILE 18 3.934 2.971 -21.755 156 HA ILE 18 HA ILE 18 5.912 3.866 -20.049 157 HB ILE 18 HB ILE 18 5.563 1.891 -18.724 158 HG12 ILE 18 2HG1 ILE 18 4.506 0.750 -21.296 159 HG13 ILE 18 3HG1 ILE 18 5.720 0.083 -20.210 160 HG21 ILE 18 1HG2 ILE 18 3.284 2.115 -18.295 161 HG22 ILE 18 2HG2 ILE 18 3.714 3.642 -19.063 162 HG23 ILE 18 3HG2 ILE 18 2.894 2.388 -19.993 163 HD11 ILE 18 1HD1 ILE 18 3.746 -1.224 -20.011 164 HD12 ILE 18 2HD1 ILE 18 3.908 -0.270 -18.536 165 HD13 ILE 18 3HD1 ILE 18 2.750 0.212 -19.775 166 H ARG 19 H ARG 19 6.054 1.267 -22.436 167 HA ARG 19 HA ARG 19 8.939 1.010 -21.899 168 HB2 ARG 19 2HB ARG 19 6.864 -0.960 -22.770 169 HB3 ARG 19 3HB ARG 19 8.532 -1.198 -23.274 170 HG2 ARG 19 2HG ARG 19 9.234 -1.730 -21.188 171 HG3 ARG 19 3HG ARG 19 8.069 -0.662 -20.404 172 HD2 ARG 19 2HD ARG 19 6.318 -2.220 -20.658 173 HD3 ARG 19 3HD ARG 19 7.241 -3.184 -21.810 174 HE ARG 19 HE ARG 19 8.746 -3.331 -19.583 175 HH11 ARG 19 1HH1 ARG 19 5.357 -3.859 -20.179 176 HH12 ARG 19 2HH1 ARG 19 5.187 -5.042 -18.925 177 HH21 ARG 19 1HH2 ARG 19 8.536 -4.888 -17.929 178 HH22 ARG 19 2HH2 ARG 19 6.996 -5.626 -17.646 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.316 -1.900 -9.830 2 HA CYS 1 HA CYS 1 -0.385 -3.604 -9.103 3 HB2 CYS 1 2HB CYS 1 2.157 -4.685 -8.045 4 HB3 CYS 1 3HB CYS 1 0.770 -4.809 -6.970 5 HG CYS 1 HG CYS 1 1.571 -6.697 -9.518 6 H PHE 2 H PHE 2 -0.813 -3.859 -6.461 7 HA PHE 2 HA PHE 2 -1.395 -2.743 -4.566 8 HB2 PHE 2 2HB PHE 2 0.736 -0.712 -5.226 9 HB3 PHE 2 3HB PHE 2 0.097 -1.135 -3.641 10 HD1 PHE 2 HD1 PHE 2 2.521 -1.912 -6.192 11 HD2 PHE 2 HD2 PHE 2 0.661 -3.342 -2.641 12 HE1 PHE 2 HE1 PHE 2 4.338 -3.545 -5.903 13 HE2 PHE 2 HE2 PHE 2 2.476 -4.977 -2.345 14 HZ PHE 2 HZ PHE 2 4.318 -5.079 -3.977 15 H LEU 3 H LEU 3 -2.639 -0.944 -3.862 16 HA LEU 3 HA LEU 3 -4.154 0.734 -4.105 17 HB2 LEU 3 2HB LEU 3 -1.878 1.517 -5.730 18 HB3 LEU 3 3HB LEU 3 -3.393 2.180 -6.340 19 HG LEU 3 HG LEU 3 -3.707 2.916 -3.835 20 HD11 LEU 3 1HD1 LEU 3 -1.299 1.682 -3.562 21 HD12 LEU 3 2HD1 LEU 3 -1.916 2.940 -2.491 22 HD13 LEU 3 3HD1 LEU 3 -0.813 3.361 -3.800 23 HD21 LEU 3 1HD2 LEU 3 -2.576 5.047 -4.387 24 HD22 LEU 3 2HD2 LEU 3 -3.618 4.459 -5.682 25 HD23 LEU 3 3HD2 LEU 3 -1.868 4.270 -5.804 26 HA PRO 4 HA PRO 4 -7.128 -0.505 -7.083 27 HB2 PRO 4 2HB PRO 4 -8.534 1.780 -7.496 28 HB3 PRO 4 3HB PRO 4 -8.639 0.846 -6.000 29 HG2 PRO 4 2HG PRO 4 -7.049 3.314 -6.584 30 HG3 PRO 4 3HG PRO 4 -8.002 2.912 -5.144 31 HD2 PRO 4 2HD PRO 4 -5.307 2.661 -5.224 32 HD3 PRO 4 3HD PRO 4 -6.338 1.585 -4.259 33 H LYS 5 H LYS 5 -8.099 0.086 -9.257 34 HA LYS 5 HA LYS 5 -6.049 1.351 -10.956 35 HB2 LYS 5 2HB LYS 5 -7.341 -0.267 -12.693 36 HB3 LYS 5 3HB LYS 5 -5.895 -0.740 -11.810 37 HG2 LYS 5 2HG LYS 5 -7.049 -2.102 -10.372 38 HG3 LYS 5 3HG LYS 5 -8.561 -1.212 -10.569 39 HD2 LYS 5 2HD LYS 5 -8.721 -3.383 -11.643 40 HD3 LYS 5 3HD LYS 5 -8.763 -2.101 -12.856 41 HE2 LYS 5 2HE LYS 5 -7.025 -3.016 -13.890 42 HE3 LYS 5 3HE LYS 5 -6.050 -2.830 -12.433 43 HZ1 LYS 5 1HZ LYS 5 -7.890 -5.066 -12.409 44 HZ2 LYS 5 2HZ LYS 5 -6.277 -4.985 -11.906 45 HZ3 LYS 5 3HZ LYS 5 -6.642 -5.184 -13.546 46 H LEU 6 H LEU 6 -8.256 2.711 -9.727 47 HA LEU 6 HA LEU 6 -10.547 3.064 -11.149 48 HB2 LEU 6 2HB LEU 6 -10.742 5.177 -10.196 49 HB3 LEU 6 3HB LEU 6 -9.717 4.290 -9.070 50 HG LEU 6 HG LEU 6 -8.625 6.173 -11.151 51 HD11 LEU 6 1HD1 LEU 6 -10.236 7.194 -9.424 52 HD12 LEU 6 2HD1 LEU 6 -8.647 7.929 -9.629 53 HD13 LEU 6 3HD1 LEU 6 -8.956 6.866 -8.256 54 HD21 LEU 6 1HD2 LEU 6 -6.947 6.060 -8.959 55 HD22 LEU 6 2HD2 LEU 6 -6.715 5.229 -10.497 56 HD23 LEU 6 3HD2 LEU 6 -7.496 4.395 -9.153 57 H PHE 7 H PHE 7 -7.333 4.190 -12.010 58 HA PHE 7 HA PHE 7 -8.411 5.069 -14.608 59 HB2 PHE 7 2HB PHE 7 -7.330 6.783 -12.862 60 HB3 PHE 7 3HB PHE 7 -5.849 6.222 -13.630 61 HD1 PHE 7 HD1 PHE 7 -5.144 7.170 -15.621 62 HD2 PHE 7 HD2 PHE 7 -9.201 7.622 -14.416 63 HE1 PHE 7 HE1 PHE 7 -5.522 8.728 -17.488 64 HE2 PHE 7 HE2 PHE 7 -9.585 9.180 -16.280 65 HZ PHE 7 HZ PHE 7 -7.745 9.735 -17.820 66 H ALA 8 H ALA 8 -6.408 2.927 -12.984 67 HA ALA 8 HA ALA 8 -4.337 2.613 -14.917 68 HB1 ALA 8 1HB ALA 8 -3.459 1.142 -13.468 69 HB2 ALA 8 2HB ALA 8 -4.689 1.758 -12.363 70 HB3 ALA 8 3HB ALA 8 -4.982 0.274 -13.270 71 H LYS 9 H LYS 9 -7.554 1.333 -14.545 72 HA LYS 9 HA LYS 9 -7.154 -0.713 -16.566 73 HB2 LYS 9 2HB LYS 9 -9.546 -1.227 -16.169 74 HB3 LYS 9 3HB LYS 9 -8.584 -1.269 -14.697 75 HG2 LYS 9 2HG LYS 9 -9.868 0.258 -13.738 76 HG3 LYS 9 3HG LYS 9 -9.672 1.359 -15.104 77 HD2 LYS 9 2HD LYS 9 -11.993 0.932 -14.926 78 HD3 LYS 9 3HD LYS 9 -11.423 -0.017 -16.301 79 HE2 LYS 9 2HE LYS 9 -12.366 -1.791 -15.345 80 HE3 LYS 9 3HE LYS 9 -11.113 -1.699 -14.109 81 HZ1 LYS 9 1HZ LYS 9 -12.852 0.113 -13.214 82 HZ2 LYS 9 2HZ LYS 9 -12.867 -1.511 -12.744 83 HZ3 LYS 9 3HZ LYS 9 -13.914 -0.973 -13.959 84 H ILE 10 H ILE 10 -8.591 2.463 -16.248 85 HA ILE 10 HA ILE 10 -9.959 2.412 -18.757 86 HB ILE 10 HB ILE 10 -10.581 4.609 -18.352 87 HG12 ILE 10 2HG1 ILE 10 -9.153 5.875 -16.467 88 HG13 ILE 10 3HG1 ILE 10 -7.895 4.815 -17.094 89 HG21 ILE 10 1HG2 ILE 10 -11.583 4.446 -16.337 90 HG22 ILE 10 2HG2 ILE 10 -10.901 2.820 -16.369 91 HG23 ILE 10 3HG2 ILE 10 -10.072 4.107 -15.493 92 HD11 ILE 10 1HD1 ILE 10 -9.112 7.186 -18.269 93 HD12 ILE 10 2HD1 ILE 10 -7.545 6.438 -18.577 94 HD13 ILE 10 3HD1 ILE 10 -8.990 5.823 -19.381 95 H THR 11 H THR 11 -6.740 3.183 -17.721 96 HA THR 11 HA THR 11 -6.055 4.579 -20.163 97 HB THR 11 HB THR 11 -3.705 4.468 -19.200 98 HG1 THR 11 HG1 THR 11 -4.243 2.641 -17.786 99 HG21 THR 11 1HG2 THR 11 -5.871 5.747 -17.526 100 HG22 THR 11 2HG2 THR 11 -5.114 6.447 -18.957 101 HG23 THR 11 3HG2 THR 11 -4.162 6.179 -17.497 102 H LYS 12 H LYS 12 -5.517 3.589 -21.983 103 HA LYS 12 HA LYS 12 -4.334 0.893 -21.825 104 HB2 LYS 12 2HB LYS 12 -5.375 0.597 -24.148 105 HB3 LYS 12 3HB LYS 12 -6.457 0.545 -22.763 106 HG2 LYS 12 2HG LYS 12 -7.550 1.848 -24.380 107 HG3 LYS 12 3HG LYS 12 -6.915 2.995 -23.199 108 HD2 LYS 12 2HD LYS 12 -5.177 3.671 -24.630 109 HD3 LYS 12 3HD LYS 12 -5.394 2.275 -25.688 110 HE2 LYS 12 2HE LYS 12 -7.746 3.245 -26.111 111 HE3 LYS 12 3HE LYS 12 -7.089 4.735 -25.435 112 HZ1 LYS 12 1HZ LYS 12 -6.355 5.157 -27.473 113 HZ2 LYS 12 2HZ LYS 12 -6.691 3.592 -28.019 114 HZ3 LYS 12 3HZ LYS 12 -5.218 3.923 -27.255 115 H LYS 13 H LYS 13 -3.237 3.744 -22.074 116 HA LYS 13 HA LYS 13 -1.593 3.253 -24.472 117 HB2 LYS 13 2HB LYS 13 -1.261 5.905 -24.062 118 HB3 LYS 13 3HB LYS 13 -2.480 5.227 -25.134 119 HG2 LYS 13 2HG LYS 13 -4.201 5.636 -23.660 120 HG3 LYS 13 3HG LYS 13 -3.130 5.675 -22.257 121 HD2 LYS 13 2HD LYS 13 -2.500 7.847 -22.627 122 HD3 LYS 13 3HD LYS 13 -2.767 7.741 -24.369 123 HE2 LYS 13 2HE LYS 13 -4.992 8.212 -24.194 124 HE3 LYS 13 3HE LYS 13 -5.132 7.482 -22.595 125 HZ1 LYS 13 1HZ LYS 13 -5.164 10.094 -22.990 126 HZ2 LYS 13 2HZ LYS 13 -3.498 9.884 -22.792 127 HZ3 LYS 13 3HZ LYS 13 -4.562 9.395 -21.571 128 H ASN 14 H ASN 14 -1.255 5.542 -21.781 129 HA ASN 14 HA ASN 14 1.484 5.366 -21.532 130 HB2 ASN 14 2HB ASN 14 -0.682 6.497 -20.022 131 HB3 ASN 14 3HB ASN 14 0.476 5.764 -18.917 132 HD21 ASN 14 1HD2 ASN 14 2.673 6.462 -19.014 133 HD22 ASN 14 2HD2 ASN 14 3.057 8.046 -19.587 134 H MET 15 H MET 15 -0.963 3.191 -20.357 135 HA MET 15 HA MET 15 0.487 1.834 -18.387 136 HB2 MET 15 2HB MET 15 -1.977 1.618 -18.870 137 HB3 MET 15 3HB MET 15 -1.553 0.597 -20.238 138 HG2 MET 15 2HG MET 15 -1.615 -1.134 -18.867 139 HG3 MET 15 3HG MET 15 -0.176 -0.491 -18.081 140 HE1 MET 15 1HE MET 15 -0.685 1.252 -15.458 141 HE2 MET 15 2HE MET 15 -1.077 -0.296 -14.711 142 HE3 MET 15 3HE MET 15 0.092 -0.225 -16.031 143 H ALA 16 H ALA 16 0.057 1.010 -21.829 144 HA ALA 16 HA ALA 16 1.968 -1.123 -21.715 145 HB1 ALA 16 1HB ALA 16 0.438 -1.547 -23.357 146 HB2 ALA 16 2HB ALA 16 0.316 0.146 -23.837 147 HB3 ALA 16 3HB ALA 16 1.717 -0.810 -24.323 148 H HIS 17 H HIS 17 2.398 2.107 -21.552 149 HA HIS 17 HA HIS 17 4.853 2.113 -23.166 150 HB2 HIS 17 2HB HIS 17 2.824 4.082 -22.645 151 HB3 HIS 17 3HB HIS 17 4.386 4.688 -22.103 152 HD1 HIS 17 HD1 HIS 17 4.913 6.314 -23.932 153 HD2 HIS 17 HD2 HIS 17 3.828 2.578 -25.390 154 HE1 HIS 17 HE1 HIS 17 5.349 6.405 -26.407 155 H ILE 18 H ILE 18 3.699 1.983 -19.962 156 HA ILE 18 HA ILE 18 5.636 3.281 -18.481 157 HB ILE 18 HB ILE 18 5.107 1.822 -16.645 158 HG12 ILE 18 2HG1 ILE 18 4.118 -0.010 -18.814 159 HG13 ILE 18 3HG1 ILE 18 5.234 -0.359 -17.498 160 HG21 ILE 18 1HG2 ILE 18 2.823 2.252 -16.458 161 HG22 ILE 18 2HG2 ILE 18 3.382 3.457 -17.616 162 HG23 ILE 18 3HG2 ILE 18 2.540 2.014 -18.182 163 HD11 ILE 18 1HD1 ILE 18 3.181 -1.463 -17.042 164 HD12 ILE 18 2HD1 ILE 18 3.321 -0.110 -15.919 165 HD13 ILE 18 3HD1 ILE 18 2.258 0.013 -17.321 166 H ARG 19 H ARG 19 5.750 0.072 -19.951 167 HA ARG 19 HA ARG 19 7.457 -1.385 -20.324 168 HB2 ARG 19 2HB ARG 19 8.594 1.277 -20.587 169 HB3 ARG 19 3HB ARG 19 9.796 0.103 -20.070 170 HG2 ARG 19 2HG ARG 19 9.504 -1.208 -21.996 171 HG3 ARG 19 3HG ARG 19 7.998 -0.391 -22.420 172 HD2 ARG 19 2HD ARG 19 9.633 0.467 -23.888 173 HD3 ARG 19 3HD ARG 19 9.371 1.719 -22.675 174 HE ARG 19 HE ARG 19 11.555 1.497 -22.065 175 HH11 ARG 19 1HH1 ARG 19 10.568 -1.402 -23.721 176 HH12 ARG 19 2HH1 ARG 19 12.153 -2.103 -23.710 177 HH21 ARG 19 1HH2 ARG 19 13.645 0.584 -22.045 178 HH22 ARG 19 2HH2 ARG 19 13.902 -0.973 -22.756 Start of MODEL 13 1 H1 CYS 1 H CYS 1 -0.953 -6.889 -3.040 2 HA CYS 1 HA CYS 1 -3.606 -6.032 -3.832 3 HB2 CYS 1 2HB CYS 1 -2.883 -6.693 -1.041 4 HB3 CYS 1 3HB CYS 1 -3.724 -5.164 -1.270 5 HG CYS 1 HG CYS 1 -5.138 -7.897 -0.773 6 H PHE 2 H PHE 2 -3.861 -3.708 -2.508 7 HA PHE 2 HA PHE 2 -3.162 -1.544 -2.411 8 HB2 PHE 2 2HB PHE 2 -1.080 -2.959 -1.326 9 HB3 PHE 2 3HB PHE 2 -0.281 -2.079 -2.624 10 HD1 PHE 2 HD1 PHE 2 0.140 0.234 -2.456 11 HD2 PHE 2 HD2 PHE 2 -2.320 -1.701 0.428 12 HE1 PHE 2 HE1 PHE 2 0.218 2.248 -1.044 13 HE2 PHE 2 HE2 PHE 2 -2.247 0.310 1.845 14 HZ PHE 2 HZ PHE 2 -0.978 2.288 1.109 15 H LEU 3 H LEU 3 -2.105 0.156 -3.705 16 HA LEU 3 HA LEU 3 -1.764 1.164 -5.715 17 HB2 LEU 3 2HB LEU 3 -0.126 -1.322 -5.882 18 HB3 LEU 3 3HB LEU 3 -0.292 -0.307 -7.314 19 HG LEU 3 HG LEU 3 0.579 0.967 -4.767 20 HD11 LEU 3 1HD1 LEU 3 2.458 -0.561 -6.558 21 HD12 LEU 3 2HD1 LEU 3 1.913 -1.118 -4.976 22 HD13 LEU 3 3HD1 LEU 3 2.870 0.357 -5.109 23 HD21 LEU 3 1HD2 LEU 3 1.446 2.578 -6.136 24 HD22 LEU 3 2HD2 LEU 3 0.119 2.006 -7.148 25 HD23 LEU 3 3HD2 LEU 3 1.765 1.447 -7.451 26 HA PRO 4 HA PRO 4 -5.216 -1.289 -7.641 27 HB2 PRO 4 2HB PRO 4 -6.965 0.786 -7.721 28 HB3 PRO 4 3HB PRO 4 -6.794 -0.273 -6.316 29 HG2 PRO 4 2HG PRO 4 -5.634 2.445 -6.791 30 HG3 PRO 4 3HG PRO 4 -6.380 1.788 -5.322 31 HD2 PRO 4 2HD PRO 4 -3.696 1.952 -5.645 32 HD3 PRO 4 3HD PRO 4 -4.468 0.659 -4.705 33 H LYS 5 H LYS 5 -6.505 -0.613 -9.646 34 HA LYS 5 HA LYS 5 -4.789 1.028 -11.393 35 HB2 LYS 5 2HB LYS 5 -6.077 -0.564 -13.156 36 HB3 LYS 5 3HB LYS 5 -4.505 -0.945 -12.465 37 HG2 LYS 5 2HG LYS 5 -5.353 -2.556 -11.072 38 HG3 LYS 5 3HG LYS 5 -6.962 -1.831 -11.034 39 HD2 LYS 5 2HD LYS 5 -7.010 -3.896 -12.303 40 HD3 LYS 5 3HD LYS 5 -7.303 -2.524 -13.374 41 HE2 LYS 5 2HE LYS 5 -5.541 -3.051 -14.622 42 HE3 LYS 5 3HE LYS 5 -4.487 -3.074 -13.209 43 HZ1 LYS 5 1HZ LYS 5 -4.431 -5.212 -14.220 44 HZ2 LYS 5 2HZ LYS 5 -6.118 -5.319 -14.257 45 HZ3 LYS 5 3HZ LYS 5 -5.301 -5.362 -12.777 46 H LEU 6 H LEU 6 -6.987 2.009 -9.830 47 HA LEU 6 HA LEU 6 -9.438 2.222 -10.987 48 HB2 LEU 6 2HB LEU 6 -9.755 4.203 -9.810 49 HB3 LEU 6 3HB LEU 6 -8.529 3.343 -8.881 50 HG LEU 6 HG LEU 6 -7.867 5.519 -10.855 51 HD11 LEU 6 1HD1 LEU 6 -7.886 5.960 -7.906 52 HD12 LEU 6 2HD1 LEU 6 -9.387 6.121 -8.817 53 HD13 LEU 6 3HD1 LEU 6 -7.998 7.129 -9.222 54 HD21 LEU 6 1HD2 LEU 6 -5.811 4.746 -10.482 55 HD22 LEU 6 2HD2 LEU 6 -6.354 3.710 -9.162 56 HD23 LEU 6 3HD2 LEU 6 -5.966 5.404 -8.853 57 H PHE 7 H PHE 7 -6.470 3.784 -12.028 58 HA PHE 7 HA PHE 7 -7.901 4.763 -14.410 59 HB2 PHE 7 2HB PHE 7 -6.830 6.426 -12.608 60 HB3 PHE 7 3HB PHE 7 -5.387 6.112 -13.567 61 HD1 PHE 7 HD1 PHE 7 -5.001 7.312 -15.508 62 HD2 PHE 7 HD2 PHE 7 -8.933 7.180 -13.885 63 HE1 PHE 7 HE1 PHE 7 -5.736 8.979 -17.162 64 HE2 PHE 7 HE2 PHE 7 -9.675 8.846 -15.536 65 HZ PHE 7 HZ PHE 7 -8.076 9.747 -17.179 66 H ALA 8 H ALA 8 -5.523 2.730 -13.208 67 HA ALA 8 HA ALA 8 -3.645 2.833 -15.349 68 HB1 ALA 8 1HB ALA 8 -2.469 1.349 -14.145 69 HB2 ALA 8 2HB ALA 8 -3.635 1.715 -12.873 70 HB3 ALA 8 3HB ALA 8 -3.862 0.296 -13.895 71 H LYS 9 H LYS 9 -6.652 1.162 -14.807 72 HA LYS 9 HA LYS 9 -6.251 -0.633 -17.055 73 HB2 LYS 9 2HB LYS 9 -8.520 -1.454 -16.488 74 HB3 LYS 9 3HB LYS 9 -7.410 -1.518 -15.126 75 HG2 LYS 9 2HG LYS 9 -8.741 -0.242 -13.900 76 HG3 LYS 9 3HG LYS 9 -8.807 0.993 -15.159 77 HD2 LYS 9 2HD LYS 9 -11.038 0.292 -14.816 78 HD3 LYS 9 3HD LYS 9 -10.516 -0.471 -16.320 79 HE2 LYS 9 2HE LYS 9 -10.108 -2.555 -15.157 80 HE3 LYS 9 3HE LYS 9 -10.507 -1.803 -13.613 81 HZ1 LYS 9 1HZ LYS 9 -12.529 -1.649 -15.704 82 HZ2 LYS 9 2HZ LYS 9 -12.709 -1.882 -14.038 83 HZ3 LYS 9 3HZ LYS 9 -12.259 -3.177 -15.029 84 H ILE 10 H ILE 10 -7.976 2.313 -16.281 85 HA ILE 10 HA ILE 10 -9.587 2.332 -18.642 86 HB ILE 10 HB ILE 10 -10.392 4.397 -17.960 87 HG12 ILE 10 2HG1 ILE 10 -8.916 5.642 -16.098 88 HG13 ILE 10 3HG1 ILE 10 -7.626 4.797 -16.946 89 HG21 ILE 10 1HG2 ILE 10 -10.310 2.410 -16.147 90 HG22 ILE 10 2HG2 ILE 10 -9.534 3.699 -15.228 91 HG23 ILE 10 3HG2 ILE 10 -11.153 3.937 -15.885 92 HD11 ILE 10 1HD1 ILE 10 -8.955 5.848 -19.032 93 HD12 ILE 10 2HD1 ILE 10 -9.285 7.064 -17.798 94 HD13 ILE 10 3HD1 ILE 10 -7.620 6.650 -18.206 95 H THR 11 H THR 11 -6.377 3.373 -17.842 96 HA THR 11 HA THR 11 -6.104 5.055 -20.182 97 HB THR 11 HB THR 11 -3.666 5.128 -19.462 98 HG1 THR 11 HG1 THR 11 -3.074 4.051 -17.705 99 HG21 THR 11 1HG2 THR 11 -5.246 6.900 -18.885 100 HG22 THR 11 2HG2 THR 11 -4.119 6.614 -17.559 101 HG23 THR 11 3HG2 THR 11 -5.765 5.989 -17.468 102 H LYS 12 H LYS 12 -5.655 4.305 -22.136 103 HA LYS 12 HA LYS 12 -4.188 1.759 -22.368 104 HB2 LYS 12 2HB LYS 12 -5.426 1.392 -24.492 105 HB3 LYS 12 3HB LYS 12 -6.468 1.413 -23.076 106 HG2 LYS 12 2HG LYS 12 -7.731 2.801 -24.285 107 HG3 LYS 12 3HG LYS 12 -6.539 4.023 -23.835 108 HD2 LYS 12 2HD LYS 12 -5.444 3.883 -25.892 109 HD3 LYS 12 3HD LYS 12 -6.156 2.313 -26.269 110 HE2 LYS 12 2HE LYS 12 -8.403 3.579 -26.243 111 HE3 LYS 12 3HE LYS 12 -7.414 5.033 -26.374 112 HZ1 LYS 12 1HZ LYS 12 -6.401 3.394 -28.288 113 HZ2 LYS 12 2HZ LYS 12 -7.486 4.663 -28.554 114 HZ3 LYS 12 3HZ LYS 12 -8.062 3.083 -28.373 115 H LYS 13 H LYS 13 -3.384 4.696 -22.399 116 HA LYS 13 HA LYS 13 -1.982 4.638 -24.992 117 HB2 LYS 13 2HB LYS 13 -1.849 7.249 -24.333 118 HB3 LYS 13 3HB LYS 13 -3.131 6.563 -25.322 119 HG2 LYS 13 2HG LYS 13 -3.481 6.608 -22.369 120 HG3 LYS 13 3HG LYS 13 -3.668 8.111 -23.275 121 HD2 LYS 13 2HD LYS 13 -5.051 5.901 -24.545 122 HD3 LYS 13 3HD LYS 13 -5.600 6.156 -22.887 123 HE2 LYS 13 2HE LYS 13 -5.616 8.682 -23.657 124 HE3 LYS 13 3HE LYS 13 -5.779 7.953 -25.253 125 HZ1 LYS 13 1HZ LYS 13 -7.923 8.465 -24.182 126 HZ2 LYS 13 2HZ LYS 13 -7.560 7.361 -22.953 127 HZ3 LYS 13 3HZ LYS 13 -7.750 6.821 -24.544 128 H ASN 14 H ASN 14 -1.562 6.651 -22.099 129 HA ASN 14 HA ASN 14 1.194 6.729 -22.146 130 HB2 ASN 14 2HB ASN 14 -0.876 7.524 -20.347 131 HB3 ASN 14 3HB ASN 14 0.393 6.737 -19.413 132 HD21 ASN 14 1HD2 ASN 14 1.875 8.060 -18.683 133 HD22 ASN 14 2HD2 ASN 14 2.395 9.529 -19.430 134 H MET 15 H MET 15 -0.905 4.206 -21.003 135 HA MET 15 HA MET 15 0.854 2.809 -19.337 136 HB2 MET 15 2HB MET 15 -1.614 2.389 -19.624 137 HB3 MET 15 3HB MET 15 -1.233 1.566 -21.130 138 HG2 MET 15 2HG MET 15 -0.995 -0.296 -19.966 139 HG3 MET 15 3HG MET 15 0.446 0.410 -19.238 140 HE1 MET 15 1HE MET 15 0.875 0.550 -17.165 141 HE2 MET 15 2HE MET 15 -0.175 0.711 -15.757 142 HE3 MET 15 3HE MET 15 0.048 -0.867 -16.516 143 H ALA 16 H ALA 16 0.166 2.309 -22.799 144 HA ALA 16 HA ALA 16 2.270 0.388 -23.098 145 HB1 ALA 16 1HB ALA 16 1.095 -0.116 -24.907 146 HB2 ALA 16 2HB ALA 16 0.061 1.288 -24.636 147 HB3 ALA 16 3HB ALA 16 1.516 1.441 -25.621 148 H HIS 17 H HIS 17 2.408 3.610 -22.607 149 HA HIS 17 HA HIS 17 4.680 4.040 -24.420 150 HB2 HIS 17 2HB HIS 17 2.535 5.722 -23.503 151 HB3 HIS 17 3HB HIS 17 4.079 6.428 -23.034 152 HD1 HIS 17 HD1 HIS 17 1.937 7.267 -25.392 153 HD2 HIS 17 HD2 HIS 17 5.741 5.645 -25.790 154 HE1 HIS 17 HE1 HIS 17 2.708 7.919 -27.695 155 H ILE 18 H ILE 18 3.865 3.459 -21.162 156 HA ILE 18 HA ILE 18 5.808 4.790 -19.719 157 HB ILE 18 HB ILE 18 5.603 3.101 -18.022 158 HG12 ILE 18 2HG1 ILE 18 4.583 1.412 -20.289 159 HG13 ILE 18 3HG1 ILE 18 5.851 1.046 -19.124 160 HG21 ILE 18 1HG2 ILE 18 3.319 3.268 -17.586 161 HG22 ILE 18 2HG2 ILE 18 3.644 4.638 -18.647 162 HG23 ILE 18 3HG2 ILE 18 2.890 3.181 -19.295 163 HD11 ILE 18 1HD1 ILE 18 4.090 0.925 -17.366 164 HD12 ILE 18 2HD1 ILE 18 2.886 1.084 -18.645 165 HD13 ILE 18 3HD1 ILE 18 3.967 -0.309 -18.619 166 H ARG 19 H ARG 19 6.079 1.781 -21.549 167 HA ARG 19 HA ARG 19 8.873 1.479 -20.804 168 HB2 ARG 19 2HB ARG 19 6.845 -0.296 -21.549 169 HB3 ARG 19 3HB ARG 19 7.967 -0.300 -22.903 170 HG2 ARG 19 2HG ARG 19 9.806 -0.798 -21.336 171 HG3 ARG 19 3HG ARG 19 8.628 -0.882 -20.024 172 HD2 ARG 19 2HD ARG 19 8.022 -2.526 -22.392 173 HD3 ARG 19 3HD ARG 19 9.445 -3.013 -21.472 174 HE ARG 19 HE ARG 19 7.321 -2.578 -19.693 175 HH11 ARG 19 1HH1 ARG 19 8.299 -4.787 -22.201 176 HH12 ARG 19 2HH1 ARG 19 7.433 -6.131 -21.534 177 HH21 ARG 19 1HH2 ARG 19 6.178 -4.341 -18.806 178 HH22 ARG 19 2HH2 ARG 19 6.226 -5.876 -19.604 Start of MODEL 14 1 H1 CYS 1 H CYS 1 -6.140 -3.693 0.810 2 HA CYS 1 HA CYS 1 -6.463 -3.768 -1.553 3 HB2 CYS 1 2HB CYS 1 -7.265 -1.057 -0.996 4 HB3 CYS 1 3HB CYS 1 -6.132 -1.082 -2.342 5 HG CYS 1 HG CYS 1 -7.630 -2.569 -4.023 6 H PHE 2 H PHE 2 -4.952 -2.587 -3.374 7 HA PHE 2 HA PHE 2 -2.447 -1.611 -2.629 8 HB2 PHE 2 2HB PHE 2 -2.711 -4.344 -2.018 9 HB3 PHE 2 3HB PHE 2 -1.726 -4.274 -3.476 10 HD1 PHE 2 HD1 PHE 2 0.042 -2.169 -3.301 11 HD2 PHE 2 HD2 PHE 2 -1.506 -4.489 -0.086 12 HE1 PHE 2 HE1 PHE 2 2.011 -1.595 -1.943 13 HE2 PHE 2 HE2 PHE 2 0.461 -3.918 1.278 14 HZ PHE 2 HZ PHE 2 2.222 -2.469 0.350 15 H LEU 3 H LEU 3 -1.295 -0.991 -4.400 16 HA LEU 3 HA LEU 3 -0.872 -0.494 -6.578 17 HB2 LEU 3 2HB LEU 3 -1.908 -3.274 -7.104 18 HB3 LEU 3 3HB LEU 3 -0.892 -2.311 -8.174 19 HG LEU 3 HG LEU 3 0.060 -3.124 -5.447 20 HD11 LEU 3 1HD1 LEU 3 0.454 -4.719 -7.971 21 HD12 LEU 3 2HD1 LEU 3 -0.695 -5.140 -6.702 22 HD13 LEU 3 3HD1 LEU 3 1.033 -5.110 -6.351 23 HD21 LEU 3 1HD2 LEU 3 1.220 -1.358 -6.823 24 HD22 LEU 3 2HD2 LEU 3 1.594 -2.628 -7.988 25 HD23 LEU 3 3HD2 LEU 3 2.218 -2.730 -6.341 26 HA PRO 4 HA PRO 4 -5.400 0.382 -7.258 27 HB2 PRO 4 2HB PRO 4 -5.136 3.083 -7.215 28 HB3 PRO 4 3HB PRO 4 -5.396 2.120 -5.756 29 HG2 PRO 4 2HG PRO 4 -2.848 3.239 -6.859 30 HG3 PRO 4 3HG PRO 4 -3.420 3.204 -5.181 31 HD2 PRO 4 2HD PRO 4 -1.602 1.440 -6.137 32 HD3 PRO 4 3HD PRO 4 -2.775 1.012 -4.874 33 H LYS 5 H LYS 5 -6.151 0.489 -9.280 34 HA LYS 5 HA LYS 5 -4.455 1.748 -11.337 35 HB2 LYS 5 2HB LYS 5 -5.816 0.057 -12.849 36 HB3 LYS 5 3HB LYS 5 -4.352 -0.441 -12.011 37 HG2 LYS 5 2HG LYS 5 -5.905 -2.159 -11.649 38 HG3 LYS 5 3HG LYS 5 -5.858 -1.243 -10.141 39 HD2 LYS 5 2HD LYS 5 -7.874 0.005 -10.923 40 HD3 LYS 5 3HD LYS 5 -7.952 -1.087 -12.307 41 HE2 LYS 5 2HE LYS 5 -7.718 -2.514 -9.791 42 HE3 LYS 5 3HE LYS 5 -9.135 -1.466 -9.830 43 HZ1 LYS 5 1HZ LYS 5 -8.963 -3.955 -10.911 44 HZ2 LYS 5 2HZ LYS 5 -8.783 -2.946 -12.257 45 HZ3 LYS 5 3HZ LYS 5 -10.150 -2.803 -11.270 46 H LEU 6 H LEU 6 -6.600 2.944 -9.732 47 HA LEU 6 HA LEU 6 -9.061 3.183 -10.830 48 HB2 LEU 6 2HB LEU 6 -7.267 4.981 -9.382 49 HB3 LEU 6 3HB LEU 6 -8.465 5.818 -10.368 50 HG LEU 6 HG LEU 6 -9.136 5.487 -7.995 51 HD11 LEU 6 1HD1 LEU 6 -10.715 5.676 -9.997 52 HD12 LEU 6 2HD1 LEU 6 -11.375 5.037 -8.492 53 HD13 LEU 6 3HD1 LEU 6 -10.958 3.940 -9.808 54 HD21 LEU 6 1HD2 LEU 6 -9.688 3.338 -7.157 55 HD22 LEU 6 2HD2 LEU 6 -8.056 3.220 -7.815 56 HD23 LEU 6 3HD2 LEU 6 -9.424 2.581 -8.728 57 H PHE 7 H PHE 7 -6.073 4.496 -12.128 58 HA PHE 7 HA PHE 7 -7.554 5.296 -14.546 59 HB2 PHE 7 2HB PHE 7 -6.360 7.087 -12.967 60 HB3 PHE 7 3HB PHE 7 -4.957 6.609 -13.916 61 HD1 PHE 7 HD1 PHE 7 -4.579 7.549 -16.002 62 HD2 PHE 7 HD2 PHE 7 -8.450 7.826 -14.253 63 HE1 PHE 7 HE1 PHE 7 -5.283 9.064 -17.809 64 HE2 PHE 7 HE2 PHE 7 -9.160 9.341 -16.057 65 HZ PHE 7 HZ PHE 7 -7.577 9.961 -17.838 66 H ALA 8 H ALA 8 -5.249 3.263 -13.237 67 HA ALA 8 HA ALA 8 -3.443 3.076 -15.440 68 HB1 ALA 8 1HB ALA 8 -3.328 2.249 -12.879 69 HB2 ALA 8 2HB ALA 8 -3.738 0.732 -13.680 70 HB3 ALA 8 3HB ALA 8 -2.292 1.620 -14.160 71 H LYS 9 H LYS 9 -6.501 1.631 -14.635 72 HA LYS 9 HA LYS 9 -6.264 -0.407 -16.695 73 HB2 LYS 9 2HB LYS 9 -8.552 -1.051 -15.961 74 HB3 LYS 9 3HB LYS 9 -7.372 -1.063 -14.657 75 HG2 LYS 9 2HG LYS 9 -8.515 0.440 -13.489 76 HG3 LYS 9 3HG LYS 9 -8.694 1.503 -14.887 77 HD2 LYS 9 2HD LYS 9 -10.875 0.808 -14.091 78 HD3 LYS 9 3HD LYS 9 -10.563 0.104 -15.680 79 HE2 LYS 9 2HE LYS 9 -10.286 -2.026 -14.825 80 HE3 LYS 9 3HE LYS 9 -9.877 -1.438 -13.214 81 HZ1 LYS 9 1HZ LYS 9 -12.419 -0.554 -13.604 82 HZ2 LYS 9 2HZ LYS 9 -11.974 -1.913 -12.701 83 HZ3 LYS 9 3HZ LYS 9 -12.438 -2.088 -14.318 84 H ILE 10 H ILE 10 -7.821 2.680 -16.160 85 HA ILE 10 HA ILE 10 -9.544 2.537 -18.435 86 HB ILE 10 HB ILE 10 -10.205 4.710 -17.949 87 HG12 ILE 10 2HG1 ILE 10 -8.595 6.047 -16.275 88 HG13 ILE 10 3HG1 ILE 10 -7.384 5.044 -17.068 89 HG21 ILE 10 1HG2 ILE 10 -10.144 2.907 -15.944 90 HG22 ILE 10 2HG2 ILE 10 -9.289 4.251 -15.190 91 HG23 ILE 10 3HG2 ILE 10 -10.918 4.487 -15.823 92 HD11 ILE 10 1HD1 ILE 10 -7.321 6.767 -18.505 93 HD12 ILE 10 2HD1 ILE 10 -8.715 5.952 -19.215 94 HD13 ILE 10 3HD1 ILE 10 -8.953 7.302 -18.106 95 H THR 11 H THR 11 -6.255 3.507 -17.891 96 HA THR 11 HA THR 11 -6.028 4.894 -20.424 97 HB THR 11 HB THR 11 -3.563 4.967 -19.811 98 HG1 THR 11 HG1 THR 11 -2.999 4.313 -17.762 99 HG21 THR 11 1HG2 THR 11 -5.543 6.131 -17.848 100 HG22 THR 11 2HG2 THR 11 -5.068 6.847 -19.388 101 HG23 THR 11 3HG2 THR 11 -3.886 6.685 -18.089 102 H LYS 12 H LYS 12 -5.690 3.896 -22.288 103 HA LYS 12 HA LYS 12 -4.310 1.292 -22.263 104 HB2 LYS 12 2HB LYS 12 -5.651 0.816 -24.367 105 HB3 LYS 12 3HB LYS 12 -6.552 0.825 -22.856 106 HG2 LYS 12 2HG LYS 12 -6.405 3.340 -24.435 107 HG3 LYS 12 3HG LYS 12 -7.460 2.041 -24.998 108 HD2 LYS 12 2HD LYS 12 -8.268 2.030 -22.506 109 HD3 LYS 12 3HD LYS 12 -7.612 3.669 -22.498 110 HE2 LYS 12 2HE LYS 12 -9.054 3.608 -24.832 111 HE3 LYS 12 3HE LYS 12 -10.032 2.615 -23.753 112 HZ1 LYS 12 1HZ LYS 12 -9.039 5.115 -22.649 113 HZ2 LYS 12 2HZ LYS 12 -10.545 4.368 -22.457 114 HZ3 LYS 12 3HZ LYS 12 -10.214 5.255 -23.859 115 H LYS 13 H LYS 13 -3.486 4.216 -22.727 116 HA LYS 13 HA LYS 13 -2.160 3.766 -25.321 117 HB2 LYS 13 2HB LYS 13 -1.989 6.448 -25.030 118 HB3 LYS 13 3HB LYS 13 -3.287 5.641 -25.900 119 HG2 LYS 13 2HG LYS 13 -4.812 5.973 -24.207 120 HG3 LYS 13 3HG LYS 13 -3.562 6.141 -22.972 121 HD2 LYS 13 2HD LYS 13 -4.192 8.329 -23.198 122 HD3 LYS 13 3HD LYS 13 -2.912 8.256 -24.412 123 HE2 LYS 13 2HE LYS 13 -5.597 7.508 -25.357 124 HE3 LYS 13 3HE LYS 13 -5.411 9.193 -24.875 125 HZ1 LYS 13 1HZ LYS 13 -3.285 9.033 -26.336 126 HZ2 LYS 13 2HZ LYS 13 -4.794 9.269 -27.064 127 HZ3 LYS 13 3HZ LYS 13 -4.092 7.729 -27.053 128 H ASN 14 H ASN 14 -1.634 6.169 -22.764 129 HA ASN 14 HA ASN 14 1.117 6.214 -22.902 130 HB2 ASN 14 2HB ASN 14 -0.873 7.316 -21.217 131 HB3 ASN 14 3HB ASN 14 0.330 6.577 -20.164 132 HD21 ASN 14 1HD2 ASN 14 -0.389 9.410 -20.811 133 HD22 ASN 14 2HD2 ASN 14 1.112 10.152 -21.238 134 H MET 15 H MET 15 -0.955 3.900 -21.332 135 HA MET 15 HA MET 15 0.874 2.726 -19.568 136 HB2 MET 15 2HB MET 15 -1.610 2.312 -19.670 137 HB3 MET 15 3HB MET 15 -1.315 1.277 -21.060 138 HG2 MET 15 2HG MET 15 -1.040 -0.404 -19.653 139 HG3 MET 15 3HG MET 15 0.447 0.370 -19.112 140 HE1 MET 15 1HE MET 15 -0.085 0.342 -15.591 141 HE2 MET 15 2HE MET 15 0.912 0.172 -17.036 142 HE3 MET 15 3HE MET 15 0.472 1.777 -16.452 143 H ALA 16 H ALA 16 0.003 1.750 -22.885 144 HA ALA 16 HA ALA 16 2.070 -0.230 -23.010 145 HB1 ALA 16 1HB ALA 16 -0.235 0.318 -24.454 146 HB2 ALA 16 2HB ALA 16 1.079 0.617 -25.592 147 HB3 ALA 16 3HB ALA 16 0.946 -0.948 -24.791 148 H HIS 17 H HIS 17 2.267 3.026 -22.990 149 HA HIS 17 HA HIS 17 4.447 3.156 -24.955 150 HB2 HIS 17 2HB HIS 17 2.371 4.988 -24.181 151 HB3 HIS 17 3HB HIS 17 3.944 5.726 -23.894 152 HD1 HIS 17 HD1 HIS 17 5.616 5.194 -26.175 153 HD2 HIS 17 HD2 HIS 17 1.510 5.604 -26.653 154 HE1 HIS 17 HE1 HIS 17 5.276 5.772 -28.598 155 H ILE 18 H ILE 18 3.796 3.054 -21.612 156 HA ILE 18 HA ILE 18 5.825 4.541 -20.471 157 HB ILE 18 HB ILE 18 5.689 3.112 -18.543 158 HG12 ILE 18 2HG1 ILE 18 4.534 1.139 -20.494 159 HG13 ILE 18 3HG1 ILE 18 5.856 0.917 -19.352 160 HG21 ILE 18 1HG2 ILE 18 2.916 3.062 -19.679 161 HG22 ILE 18 2HG2 ILE 18 3.431 3.378 -18.023 162 HG23 ILE 18 3HG2 ILE 18 3.717 4.582 -19.280 163 HD11 ILE 18 1HD1 ILE 18 4.186 1.079 -17.511 164 HD12 ILE 18 2HD1 ILE 18 2.920 1.078 -18.739 165 HD13 ILE 18 3HD1 ILE 18 3.985 -0.317 -18.568 166 H ARG 19 H ARG 19 5.967 1.299 -21.865 167 HA ARG 19 HA ARG 19 8.837 1.560 -22.176 168 HB2 ARG 19 2HB ARG 19 7.728 0.064 -20.013 169 HB3 ARG 19 3HB ARG 19 8.446 -1.066 -21.153 170 HG2 ARG 19 2HG ARG 19 10.229 1.128 -20.772 171 HG3 ARG 19 3HG ARG 19 9.736 0.495 -19.201 172 HD2 ARG 19 2HD ARG 19 11.647 -0.740 -19.808 173 HD3 ARG 19 3HD ARG 19 10.277 -1.805 -20.120 174 HE ARG 19 HE ARG 19 10.957 -0.348 -22.450 175 HH11 ARG 19 1HH1 ARG 19 12.018 -3.001 -20.461 176 HH12 ARG 19 2HH1 ARG 19 12.822 -3.822 -21.758 177 HH21 ARG 19 1HH2 ARG 19 12.012 -1.419 -24.165 178 HH22 ARG 19 2HH2 ARG 19 12.819 -2.921 -23.864 Start of MODEL 15 1 H1 CYS 1 H CYS 1 0.582 -1.380 -9.929 2 HA CYS 1 HA CYS 1 -0.250 -3.761 -9.603 3 HB2 CYS 1 2HB CYS 1 2.073 -3.863 -7.686 4 HB3 CYS 1 3HB CYS 1 1.026 -5.181 -8.199 5 HG CYS 1 HG CYS 1 2.539 -6.000 -10.095 6 H PHE 2 H PHE 2 1.479 -2.174 -6.918 7 HA PHE 2 HA PHE 2 -0.488 -2.403 -5.010 8 HB2 PHE 2 2HB PHE 2 1.572 -0.231 -5.406 9 HB3 PHE 2 3HB PHE 2 0.556 -0.341 -3.973 10 HD1 PHE 2 HD1 PHE 2 0.848 -2.152 -2.375 11 HD2 PHE 2 HD2 PHE 2 3.372 -1.773 -5.781 12 HE1 PHE 2 HE1 PHE 2 2.454 -3.714 -1.355 13 HE2 PHE 2 HE2 PHE 2 4.981 -3.335 -4.768 14 HZ PHE 2 HZ PHE 2 4.522 -4.308 -2.552 15 H LEU 3 H LEU 3 -1.999 -0.864 -4.128 16 HA LEU 3 HA LEU 3 -3.780 0.541 -4.274 17 HB2 LEU 3 2HB LEU 3 -1.773 1.864 -6.043 18 HB3 LEU 3 3HB LEU 3 -3.420 2.488 -5.986 19 HG LEU 3 HG LEU 3 -1.905 3.725 -4.508 20 HD11 LEU 3 1HD1 LEU 3 -3.973 2.095 -3.040 21 HD12 LEU 3 2HD1 LEU 3 -4.271 3.577 -3.947 22 HD13 LEU 3 3HD1 LEU 3 -3.277 3.619 -2.491 23 HD21 LEU 3 1HD2 LEU 3 -0.894 2.716 -2.591 24 HD22 LEU 3 2HD2 LEU 3 -0.416 1.784 -4.010 25 HD23 LEU 3 3HD2 LEU 3 -1.668 1.168 -2.930 26 HA PRO 4 HA PRO 4 -6.394 -0.816 -7.526 27 HB2 PRO 4 2HB PRO 4 -8.174 1.224 -7.727 28 HB3 PRO 4 3HB PRO 4 -8.153 0.099 -6.364 29 HG2 PRO 4 2HG PRO 4 -7.015 2.861 -6.558 30 HG3 PRO 4 3HG PRO 4 -7.921 2.116 -5.229 31 HD2 PRO 4 2HD PRO 4 -5.223 2.351 -5.202 32 HD3 PRO 4 3HD PRO 4 -6.071 0.995 -4.430 33 H LYS 5 H LYS 5 -7.160 -0.372 -9.705 34 HA LYS 5 HA LYS 5 -5.395 1.515 -11.114 35 HB2 LYS 5 2HB LYS 5 -6.211 -0.024 -13.116 36 HB3 LYS 5 3HB LYS 5 -4.862 -0.486 -12.087 37 HG2 LYS 5 2HG LYS 5 -6.433 -1.837 -10.723 38 HG3 LYS 5 3HG LYS 5 -7.706 -1.454 -11.885 39 HD2 LYS 5 2HD LYS 5 -5.433 -2.388 -13.320 40 HD3 LYS 5 3HD LYS 5 -5.763 -3.519 -12.006 41 HE2 LYS 5 2HE LYS 5 -7.770 -4.148 -12.870 42 HE3 LYS 5 3HE LYS 5 -8.085 -2.564 -13.576 43 HZ1 LYS 5 1HZ LYS 5 -6.794 -4.872 -14.732 44 HZ2 LYS 5 2HZ LYS 5 -5.980 -3.416 -15.013 45 HZ3 LYS 5 3HZ LYS 5 -7.595 -3.587 -15.488 46 H LEU 6 H LEU 6 -7.723 2.495 -9.915 47 HA LEU 6 HA LEU 6 -10.058 2.597 -11.301 48 HB2 LEU 6 2HB LEU 6 -8.705 4.257 -9.416 49 HB3 LEU 6 3HB LEU 6 -9.461 5.280 -10.635 50 HG LEU 6 HG LEU 6 -11.119 3.148 -9.395 51 HD11 LEU 6 1HD1 LEU 6 -10.476 5.738 -7.994 52 HD12 LEU 6 2HD1 LEU 6 -9.911 4.144 -7.494 53 HD13 LEU 6 3HD1 LEU 6 -11.635 4.514 -7.472 54 HD21 LEU 6 1HD2 LEU 6 -12.844 4.420 -10.102 55 HD22 LEU 6 2HD2 LEU 6 -11.629 5.072 -11.202 56 HD23 LEU 6 3HD2 LEU 6 -12.028 5.935 -9.716 57 H PHE 7 H PHE 7 -7.049 4.231 -12.120 58 HA PHE 7 HA PHE 7 -8.252 4.993 -14.700 59 HB2 PHE 7 2HB PHE 7 -7.459 6.807 -12.889 60 HB3 PHE 7 3HB PHE 7 -5.918 6.533 -13.694 61 HD1 PHE 7 HD1 PHE 7 -5.419 7.660 -15.652 62 HD2 PHE 7 HD2 PHE 7 -9.474 7.359 -14.395 63 HE1 PHE 7 HE1 PHE 7 -6.088 9.194 -17.456 64 HE2 PHE 7 HE2 PHE 7 -10.150 8.891 -16.198 65 HZ PHE 7 HZ PHE 7 -8.456 9.810 -17.731 66 H ALA 8 H ALA 8 -5.955 3.137 -13.139 67 HA ALA 8 HA ALA 8 -3.838 3.239 -15.048 68 HB1 ALA 8 1HB ALA 8 -4.039 0.748 -13.557 69 HB2 ALA 8 2HB ALA 8 -2.751 1.953 -13.584 70 HB3 ALA 8 3HB ALA 8 -4.145 2.176 -12.528 71 H LYS 9 H LYS 9 -6.808 1.440 -14.763 72 HA LYS 9 HA LYS 9 -6.068 -0.430 -16.859 73 HB2 LYS 9 2HB LYS 9 -8.339 -1.351 -16.505 74 HB3 LYS 9 3HB LYS 9 -7.395 -1.285 -15.023 75 HG2 LYS 9 2HG LYS 9 -8.945 -0.056 -14.032 76 HG3 LYS 9 3HG LYS 9 -8.887 1.141 -15.328 77 HD2 LYS 9 2HD LYS 9 -11.115 0.368 -15.278 78 HD3 LYS 9 3HD LYS 9 -10.365 -0.441 -16.656 79 HE2 LYS 9 2HE LYS 9 -10.076 -2.459 -15.367 80 HE3 LYS 9 3HE LYS 9 -10.666 -1.657 -13.912 81 HZ1 LYS 9 1HZ LYS 9 -12.825 -1.606 -14.722 82 HZ2 LYS 9 2HZ LYS 9 -12.275 -3.126 -15.219 83 HZ3 LYS 9 3HZ LYS 9 -12.352 -1.850 -16.328 84 H ILE 10 H ILE 10 -8.021 2.445 -16.427 85 HA ILE 10 HA ILE 10 -9.355 2.274 -18.947 86 HB ILE 10 HB ILE 10 -10.312 4.336 -18.470 87 HG12 ILE 10 2HG1 ILE 10 -9.119 5.721 -16.508 88 HG13 ILE 10 3HG1 ILE 10 -7.705 4.898 -17.155 89 HG21 ILE 10 1HG2 ILE 10 -9.771 3.807 -15.626 90 HG22 ILE 10 2HG2 ILE 10 -11.303 3.913 -16.492 91 HG23 ILE 10 3HG2 ILE 10 -10.352 2.429 -16.560 92 HD11 ILE 10 1HD1 ILE 10 -8.957 5.840 -19.408 93 HD12 ILE 10 2HD1 ILE 10 -9.221 7.124 -18.228 94 HD13 ILE 10 3HD1 ILE 10 -7.583 6.584 -18.592 95 H THR 11 H THR 11 -6.303 3.519 -17.862 96 HA THR 11 HA THR 11 -5.853 5.088 -20.254 97 HB THR 11 HB THR 11 -3.526 5.354 -19.277 98 HG1 THR 11 HG1 THR 11 -3.234 3.745 -17.860 99 HG21 THR 11 1HG2 THR 11 -5.266 7.042 -18.963 100 HG22 THR 11 2HG2 THR 11 -4.267 6.895 -17.517 101 HG23 THR 11 3HG2 THR 11 -5.873 6.167 -17.558 102 H LYS 12 H LYS 12 -5.131 4.268 -22.096 103 HA LYS 12 HA LYS 12 -3.544 1.786 -22.008 104 HB2 LYS 12 2HB LYS 12 -4.476 1.409 -24.353 105 HB3 LYS 12 3HB LYS 12 -5.589 1.181 -23.010 106 HG2 LYS 12 2HG LYS 12 -5.471 3.850 -24.313 107 HG3 LYS 12 3HG LYS 12 -6.284 2.528 -25.155 108 HD2 LYS 12 2HD LYS 12 -7.475 2.171 -22.864 109 HD3 LYS 12 3HD LYS 12 -6.976 3.836 -22.555 110 HE2 LYS 12 2HE LYS 12 -8.274 4.676 -24.294 111 HE3 LYS 12 3HE LYS 12 -8.383 3.111 -25.097 112 HZ1 LYS 12 1HZ LYS 12 -10.435 3.212 -24.166 113 HZ2 LYS 12 2HZ LYS 12 -9.939 4.163 -22.858 114 HZ3 LYS 12 3HZ LYS 12 -9.613 2.503 -22.868 115 H LYS 13 H LYS 13 -2.951 4.817 -22.165 116 HA LYS 13 HA LYS 13 -1.345 4.796 -24.625 117 HB2 LYS 13 2HB LYS 13 -1.388 7.289 -23.096 118 HB3 LYS 13 3HB LYS 13 -1.707 7.010 -24.803 119 HG2 LYS 13 2HG LYS 13 -3.975 6.116 -24.063 120 HG3 LYS 13 3HG LYS 13 -3.614 6.843 -22.495 121 HD2 LYS 13 2HD LYS 13 -3.781 8.978 -23.295 122 HD3 LYS 13 3HD LYS 13 -3.267 8.524 -24.922 123 HE2 LYS 13 2HE LYS 13 -5.524 9.034 -25.184 124 HE3 LYS 13 3HE LYS 13 -5.512 7.276 -25.054 125 HZ1 LYS 13 1HZ LYS 13 -6.365 9.266 -23.049 126 HZ2 LYS 13 2HZ LYS 13 -5.916 7.705 -22.579 127 HZ3 LYS 13 3HZ LYS 13 -7.212 7.927 -23.643 128 H ASN 14 H ASN 14 -0.935 6.308 -21.424 129 HA ASN 14 HA ASN 14 1.874 6.216 -21.494 130 HB2 ASN 14 2HB ASN 14 -0.167 7.103 -19.672 131 HB3 ASN 14 3HB ASN 14 1.072 6.221 -18.784 132 HD21 ASN 14 1HD2 ASN 14 0.347 9.021 -20.682 133 HD22 ASN 14 2HD2 ASN 14 1.820 9.869 -20.373 134 H MET 15 H MET 15 -0.446 3.803 -20.809 135 HA MET 15 HA MET 15 0.927 2.171 -19.003 136 HB2 MET 15 2HB MET 15 -1.466 1.922 -19.758 137 HB3 MET 15 3HB MET 15 -0.853 1.202 -21.241 138 HG2 MET 15 2HG MET 15 -0.902 -0.759 -20.226 139 HG3 MET 15 3HG MET 15 0.402 -0.194 -19.184 140 HE1 MET 15 1HE MET 15 -2.666 -2.214 -17.531 141 HE2 MET 15 2HE MET 15 -3.565 -1.404 -18.814 142 HE3 MET 15 3HE MET 15 -2.031 -2.196 -19.177 143 H ALA 16 H ALA 16 0.851 1.999 -22.563 144 HA ALA 16 HA ALA 16 2.893 -0.009 -22.661 145 HB1 ALA 16 1HB ALA 16 1.676 -0.255 -24.540 146 HB2 ALA 16 2HB ALA 16 1.231 1.451 -24.603 147 HB3 ALA 16 3HB ALA 16 2.811 0.930 -25.189 148 H HIS 17 H HIS 17 3.074 3.150 -21.865 149 HA HIS 17 HA HIS 17 5.649 3.596 -23.207 150 HB2 HIS 17 2HB HIS 17 3.446 5.317 -22.535 151 HB3 HIS 17 3HB HIS 17 4.908 5.896 -21.742 152 HD1 HIS 17 HD1 HIS 17 6.794 6.798 -23.245 153 HD2 HIS 17 HD2 HIS 17 3.453 5.485 -25.337 154 HE1 HIS 17 HE1 HIS 17 7.093 7.648 -25.593 155 H ILE 18 H ILE 18 4.240 2.802 -20.208 156 HA ILE 18 HA ILE 18 5.944 3.902 -18.334 157 HB ILE 18 HB ILE 18 5.369 2.097 -16.856 158 HG12 ILE 18 2HG1 ILE 18 4.704 0.654 -19.408 159 HG13 ILE 18 3HG1 ILE 18 5.727 0.126 -18.077 160 HG21 ILE 18 1HG2 ILE 18 3.617 3.786 -17.683 161 HG22 ILE 18 2HG2 ILE 18 2.934 2.426 -18.571 162 HG23 ILE 18 3HG2 ILE 18 3.054 2.359 -16.813 163 HD11 ILE 18 1HD1 ILE 18 3.729 -1.158 -18.031 164 HD12 ILE 18 2HD1 ILE 18 3.675 -0.035 -16.672 165 HD13 ILE 18 3HD1 ILE 18 2.728 0.291 -18.123 166 H ARG 19 H ARG 19 6.417 1.040 -20.348 167 HA ARG 19 HA ARG 19 9.147 0.784 -19.284 168 HB2 ARG 19 2HB ARG 19 7.129 -1.137 -20.145 169 HB3 ARG 19 3HB ARG 19 8.690 -1.417 -20.904 170 HG2 ARG 19 2HG ARG 19 9.549 -1.132 -18.423 171 HG3 ARG 19 3HG ARG 19 7.897 -1.630 -18.054 172 HD2 ARG 19 2HD ARG 19 9.867 -3.126 -19.781 173 HD3 ARG 19 3HD ARG 19 9.393 -3.552 -18.137 174 HE ARG 19 HE ARG 19 7.053 -3.457 -19.574 175 HH11 ARG 19 1HH1 ARG 19 10.049 -5.222 -19.760 176 HH12 ARG 19 2HH1 ARG 19 9.328 -6.627 -20.474 177 HH21 ARG 19 1HH2 ARG 19 6.093 -5.301 -20.514 178 HH22 ARG 19 2HH2 ARG 19 7.078 -6.670 -20.904 Start of MODEL 16 1 H1 CYS 1 H CYS 1 -6.970 -2.956 0.591 2 HA CYS 1 HA CYS 1 -6.028 -4.304 -1.731 3 HB2 CYS 1 2HB CYS 1 -7.670 -2.014 -1.129 4 HB3 CYS 1 3HB CYS 1 -6.517 -1.610 -2.395 5 HG CYS 1 HG CYS 1 -8.121 -4.531 -2.821 6 H PHE 2 H PHE 2 -4.868 -2.609 -3.396 7 HA PHE 2 HA PHE 2 -2.843 -0.945 -2.441 8 HB2 PHE 2 2HB PHE 2 -0.877 -2.504 -2.897 9 HB3 PHE 2 3HB PHE 2 -1.765 -2.778 -1.402 10 HD1 PHE 2 HD1 PHE 2 -2.775 -4.844 -0.957 11 HD2 PHE 2 HD2 PHE 2 -1.342 -3.988 -4.872 12 HE1 PHE 2 HE1 PHE 2 -3.128 -7.193 -1.596 13 HE2 PHE 2 HE2 PHE 2 -1.694 -6.335 -5.518 14 HZ PHE 2 HZ PHE 2 -2.589 -7.942 -3.880 15 H LEU 3 H LEU 3 -1.343 -0.278 -4.115 16 HA LEU 3 HA LEU 3 -0.925 0.433 -6.236 17 HB2 LEU 3 2HB LEU 3 -1.444 -2.485 -6.541 18 HB3 LEU 3 3HB LEU 3 -1.252 -1.498 -7.989 19 HG LEU 3 HG LEU 3 0.852 -1.261 -5.915 20 HD11 LEU 3 1HD1 LEU 3 1.931 -3.279 -6.424 21 HD12 LEU 3 2HD1 LEU 3 0.853 -3.615 -7.778 22 HD13 LEU 3 3HD1 LEU 3 0.251 -3.727 -6.125 23 HD21 LEU 3 1HD2 LEU 3 2.197 -1.424 -8.124 24 HD22 LEU 3 2HD2 LEU 3 1.267 0.036 -7.787 25 HD23 LEU 3 3HD2 LEU 3 0.631 -1.177 -8.898 26 HA PRO 4 HA PRO 4 -5.462 1.077 -7.038 27 HB2 PRO 4 2HB PRO 4 -5.345 3.786 -6.896 28 HB3 PRO 4 3HB PRO 4 -5.589 2.759 -5.478 29 HG2 PRO 4 2HG PRO 4 -3.078 4.050 -6.473 30 HG3 PRO 4 3HG PRO 4 -3.689 3.925 -4.814 31 HD2 PRO 4 2HD PRO 4 -1.756 2.295 -5.781 32 HD3 PRO 4 3HD PRO 4 -2.934 1.761 -4.565 33 H LYS 5 H LYS 5 -5.875 0.843 -9.139 34 HA LYS 5 HA LYS 5 -4.317 2.418 -11.077 35 HB2 LYS 5 2HB LYS 5 -5.462 0.629 -12.667 36 HB3 LYS 5 3HB LYS 5 -3.979 0.271 -11.792 37 HG2 LYS 5 2HG LYS 5 -5.346 -0.789 -10.014 38 HG3 LYS 5 3HG LYS 5 -6.775 -0.532 -11.018 39 HD2 LYS 5 2HD LYS 5 -4.766 -1.770 -12.610 40 HD3 LYS 5 3HD LYS 5 -4.917 -2.675 -11.102 41 HE2 LYS 5 2HE LYS 5 -7.430 -1.866 -12.442 42 HE3 LYS 5 3HE LYS 5 -6.473 -3.116 -13.235 43 HZ1 LYS 5 1HZ LYS 5 -7.690 -4.416 -11.863 44 HZ2 LYS 5 2HZ LYS 5 -7.916 -3.206 -10.703 45 HZ3 LYS 5 3HZ LYS 5 -6.450 -4.047 -10.772 46 H LEU 6 H LEU 6 -6.409 3.668 -9.709 47 HA LEU 6 HA LEU 6 -8.930 3.655 -10.727 48 HB2 LEU 6 2HB LEU 6 -7.406 6.205 -10.263 49 HB3 LEU 6 3HB LEU 6 -9.140 5.936 -10.092 50 HG LEU 6 HG LEU 6 -6.953 4.901 -8.291 51 HD11 LEU 6 1HD1 LEU 6 -8.887 7.139 -8.186 52 HD12 LEU 6 2HD1 LEU 6 -7.259 7.010 -7.520 53 HD13 LEU 6 3HD1 LEU 6 -8.614 6.240 -6.694 54 HD21 LEU 6 1HD2 LEU 6 -8.539 3.168 -8.352 55 HD22 LEU 6 2HD2 LEU 6 -9.895 4.296 -8.396 56 HD23 LEU 6 3HD2 LEU 6 -8.946 4.114 -6.920 57 H PHE 7 H PHE 7 -6.053 5.015 -12.232 58 HA PHE 7 HA PHE 7 -7.627 5.438 -14.687 59 HB2 PHE 7 2HB PHE 7 -6.528 7.465 -13.319 60 HB3 PHE 7 3HB PHE 7 -5.133 7.003 -14.289 61 HD1 PHE 7 HD1 PHE 7 -4.911 7.797 -16.451 62 HD2 PHE 7 HD2 PHE 7 -8.734 7.877 -14.581 63 HE1 PHE 7 HE1 PHE 7 -5.812 9.071 -18.354 64 HE2 PHE 7 HE2 PHE 7 -9.641 9.150 -16.481 65 HZ PHE 7 HZ PHE 7 -8.180 9.748 -18.372 66 H ALA 8 H ALA 8 -5.154 3.735 -13.223 67 HA ALA 8 HA ALA 8 -3.360 3.455 -15.422 68 HB1 ALA 8 1HB ALA 8 -3.293 2.796 -12.751 69 HB2 ALA 8 2HB ALA 8 -3.378 1.227 -13.552 70 HB3 ALA 8 3HB ALA 8 -2.085 2.355 -13.959 71 H LYS 9 H LYS 9 -6.282 1.846 -14.412 72 HA LYS 9 HA LYS 9 -5.920 -0.344 -16.284 73 HB2 LYS 9 2HB LYS 9 -8.126 -1.099 -15.453 74 HB3 LYS 9 3HB LYS 9 -6.962 -0.853 -14.158 75 HG2 LYS 9 2HG LYS 9 -8.313 0.580 -13.149 76 HG3 LYS 9 3HG LYS 9 -8.434 1.563 -14.610 77 HD2 LYS 9 2HD LYS 9 -10.642 0.897 -14.084 78 HD3 LYS 9 3HD LYS 9 -10.139 -0.115 -15.439 79 HE2 LYS 9 2HE LYS 9 -9.412 -1.787 -13.599 80 HE3 LYS 9 3HE LYS 9 -10.470 -0.842 -12.552 81 HZ1 LYS 9 1HZ LYS 9 -11.143 -2.664 -14.703 82 HZ2 LYS 9 2HZ LYS 9 -12.057 -1.242 -14.657 83 HZ3 LYS 9 3HZ LYS 9 -12.015 -2.263 -13.309 84 H ILE 10 H ILE 10 -7.718 2.649 -16.014 85 HA ILE 10 HA ILE 10 -9.430 2.162 -18.248 86 HB ILE 10 HB ILE 10 -10.262 4.310 -17.954 87 HG12 ILE 10 2HG1 ILE 10 -8.748 5.923 -16.436 88 HG13 ILE 10 3HG1 ILE 10 -7.470 4.952 -17.158 89 HG21 ILE 10 1HG2 ILE 10 -9.287 4.190 -15.178 90 HG22 ILE 10 2HG2 ILE 10 -10.935 4.238 -15.804 91 HG23 ILE 10 3HG2 ILE 10 -10.042 2.717 -15.789 92 HD11 ILE 10 1HD1 ILE 10 -9.217 6.980 -18.362 93 HD12 ILE 10 2HD1 ILE 10 -7.562 6.516 -18.759 94 HD13 ILE 10 3HD1 ILE 10 -8.914 5.550 -19.348 95 H THR 11 H THR 11 -6.222 3.417 -17.838 96 HA THR 11 HA THR 11 -6.114 4.598 -20.479 97 HB THR 11 HB THR 11 -3.654 4.883 -19.917 98 HG1 THR 11 HG1 THR 11 -3.927 3.133 -18.195 99 HG21 THR 11 1HG2 THR 11 -4.072 6.700 -18.314 100 HG22 THR 11 2HG2 THR 11 -5.690 6.061 -18.021 101 HG23 THR 11 3HG2 THR 11 -5.265 6.690 -19.612 102 H LYS 12 H LYS 12 -5.721 3.482 -22.264 103 HA LYS 12 HA LYS 12 -4.188 0.973 -22.051 104 HB2 LYS 12 2HB LYS 12 -5.503 0.272 -24.112 105 HB3 LYS 12 3HB LYS 12 -6.394 0.326 -22.596 106 HG2 LYS 12 2HG LYS 12 -6.414 2.734 -24.340 107 HG3 LYS 12 3HG LYS 12 -7.387 1.337 -24.806 108 HD2 LYS 12 2HD LYS 12 -8.187 1.437 -22.317 109 HD3 LYS 12 3HD LYS 12 -7.627 3.108 -22.412 110 HE2 LYS 12 2HE LYS 12 -9.246 2.292 -24.699 111 HE3 LYS 12 3HE LYS 12 -10.107 2.195 -23.163 112 HZ1 LYS 12 1HZ LYS 12 -9.373 4.492 -24.670 113 HZ2 LYS 12 2HZ LYS 12 -8.770 4.592 -23.093 114 HZ3 LYS 12 3HZ LYS 12 -10.426 4.368 -23.351 115 H LYS 13 H LYS 13 -3.549 3.904 -22.749 116 HA LYS 13 HA LYS 13 -2.183 3.324 -25.296 117 HB2 LYS 13 2HB LYS 13 -2.477 6.158 -24.674 118 HB3 LYS 13 3HB LYS 13 -2.842 5.290 -26.159 119 HG2 LYS 13 2HG LYS 13 -4.908 6.089 -25.547 120 HG3 LYS 13 3HG LYS 13 -4.931 4.463 -24.861 121 HD2 LYS 13 2HD LYS 13 -4.993 5.228 -22.750 122 HD3 LYS 13 3HD LYS 13 -3.817 6.503 -23.077 123 HE2 LYS 13 2HE LYS 13 -6.547 6.776 -24.225 124 HE3 LYS 13 3HE LYS 13 -6.342 7.045 -22.495 125 HZ1 LYS 13 1HZ LYS 13 -5.906 9.125 -23.214 126 HZ2 LYS 13 2HZ LYS 13 -5.389 8.627 -24.745 127 HZ3 LYS 13 3HZ LYS 13 -4.345 8.506 -23.420 128 H ASN 14 H ASN 14 -1.892 5.859 -22.812 129 HA ASN 14 HA ASN 14 0.859 6.157 -22.992 130 HB2 ASN 14 2HB ASN 14 -1.247 7.000 -21.168 131 HB3 ASN 14 3HB ASN 14 0.276 6.721 -20.330 132 HD21 ASN 14 1HD2 ASN 14 -1.498 8.799 -22.336 133 HD22 ASN 14 2HD2 ASN 14 -0.262 9.974 -22.615 134 H MET 15 H MET 15 -0.999 3.702 -21.422 135 HA MET 15 HA MET 15 0.828 2.795 -19.510 136 HB2 MET 15 2HB MET 15 -1.574 2.075 -19.772 137 HB3 MET 15 3HB MET 15 -1.054 1.056 -21.107 138 HG2 MET 15 2HG MET 15 -0.670 -0.549 -19.640 139 HG3 MET 15 3HG MET 15 0.657 0.421 -19.006 140 HE1 MET 15 1HE MET 15 -0.731 -0.676 -15.671 141 HE2 MET 15 2HE MET 15 0.237 -1.179 -17.056 142 HE3 MET 15 3HE MET 15 0.620 0.321 -16.211 143 H ALA 16 H ALA 16 0.327 1.652 -22.850 144 HA ALA 16 HA ALA 16 2.624 -0.060 -22.770 145 HB1 ALA 16 1HB ALA 16 0.512 0.601 -24.702 146 HB2 ALA 16 2HB ALA 16 2.067 0.164 -25.411 147 HB3 ALA 16 3HB ALA 16 1.254 -0.951 -24.313 148 H HIS 17 H HIS 17 2.417 3.196 -22.838 149 HA HIS 17 HA HIS 17 4.702 3.552 -24.650 150 HB2 HIS 17 2HB HIS 17 2.364 5.126 -24.083 151 HB3 HIS 17 3HB HIS 17 3.809 6.062 -23.712 152 HD1 HIS 17 HD1 HIS 17 5.003 7.096 -25.644 153 HD2 HIS 17 HD2 HIS 17 2.316 4.159 -26.836 154 HE1 HIS 17 HE1 HIS 17 4.951 7.212 -28.156 155 H ILE 18 H ILE 18 3.824 3.447 -21.359 156 HA ILE 18 HA ILE 18 5.563 5.203 -20.127 157 HB ILE 18 HB ILE 18 5.465 3.814 -18.169 158 HG12 ILE 18 2HG1 ILE 18 4.711 1.666 -20.131 159 HG13 ILE 18 3HG1 ILE 18 5.964 1.640 -18.895 160 HG21 ILE 18 1HG2 ILE 18 2.811 3.385 -19.492 161 HG22 ILE 18 2HG2 ILE 18 3.161 3.807 -17.817 162 HG23 ILE 18 3HG2 ILE 18 3.384 5.004 -19.092 163 HD11 ILE 18 1HD1 ILE 18 2.994 1.441 -18.490 164 HD12 ILE 18 2HD1 ILE 18 4.211 0.198 -18.200 165 HD13 ILE 18 3HD1 ILE 18 4.157 1.635 -17.179 166 H ARG 19 H ARG 19 6.210 1.975 -21.404 167 HA ARG 19 HA ARG 19 9.053 2.307 -20.740 168 HB2 ARG 19 2HB ARG 19 7.520 0.183 -20.209 169 HB3 ARG 19 3HB ARG 19 8.019 -0.256 -21.838 170 HG2 ARG 19 2HG ARG 19 10.290 0.624 -20.327 171 HG3 ARG 19 3HG ARG 19 9.425 -0.638 -19.449 172 HD2 ARG 19 2HD ARG 19 9.852 -2.223 -21.030 173 HD3 ARG 19 3HD ARG 19 9.877 -1.054 -22.349 174 HE ARG 19 HE ARG 19 12.096 -0.492 -20.832 175 HH11 ARG 19 1HH1 ARG 19 10.866 -3.255 -22.556 176 HH12 ARG 19 2HH1 ARG 19 12.435 -3.894 -22.914 177 HH21 ARG 19 1HH2 ARG 19 14.169 -1.324 -21.297 178 HH22 ARG 19 2HH2 ARG 19 14.314 -2.796 -22.196 Start of MODEL 17 1 H1 CYS 1 H CYS 1 -2.391 -5.742 0.309 2 HA CYS 1 HA CYS 1 -1.033 -4.676 -1.217 3 HB2 CYS 1 2HB CYS 1 -3.041 -5.834 -2.936 4 HB3 CYS 1 3HB CYS 1 -2.627 -4.216 -3.489 5 HG CYS 1 HG CYS 1 -0.951 -7.022 -3.836 6 H PHE 2 H PHE 2 -1.379 -2.586 -2.795 7 HA PHE 2 HA PHE 2 -3.443 -0.809 -1.874 8 HB2 PHE 2 2HB PHE 2 -1.097 -0.931 -0.345 9 HB3 PHE 2 3HB PHE 2 -0.935 0.525 -1.322 10 HD1 PHE 2 HD1 PHE 2 -2.988 -1.178 1.210 11 HD2 PHE 2 HD2 PHE 2 -2.293 2.437 -0.927 12 HE1 PHE 2 HE1 PHE 2 -4.470 0.023 2.765 13 HE2 PHE 2 HE2 PHE 2 -3.773 3.643 0.624 14 HZ PHE 2 HZ PHE 2 -4.863 2.436 2.474 15 H LEU 3 H LEU 3 -2.076 -1.923 -4.341 16 HA LEU 3 HA LEU 3 -1.597 0.662 -5.673 17 HB2 LEU 3 2HB LEU 3 -0.244 -1.986 -5.987 18 HB3 LEU 3 3HB LEU 3 -0.300 -0.858 -7.339 19 HG LEU 3 HG LEU 3 0.739 0.825 -5.665 20 HD11 LEU 3 1HD1 LEU 3 0.573 -0.292 -3.615 21 HD12 LEU 3 2HD1 LEU 3 2.271 -0.443 -4.066 22 HD13 LEU 3 3HD1 LEU 3 1.175 -1.806 -4.289 23 HD21 LEU 3 1HD2 LEU 3 1.854 -1.184 -7.405 24 HD22 LEU 3 2HD2 LEU 3 2.964 -0.806 -6.087 25 HD23 LEU 3 3HD2 LEU 3 2.368 0.481 -7.137 26 HA PRO 4 HA PRO 4 -5.333 -1.368 -7.545 27 HB2 PRO 4 2HB PRO 4 -6.831 0.896 -7.585 28 HB3 PRO 4 3HB PRO 4 -6.754 -0.181 -6.185 29 HG2 PRO 4 2HG PRO 4 -5.297 2.387 -6.683 30 HG3 PRO 4 3HG PRO 4 -6.082 1.815 -5.199 31 HD2 PRO 4 2HD PRO 4 -3.405 1.669 -5.580 32 HD3 PRO 4 3HD PRO 4 -4.301 0.470 -4.624 33 H LYS 5 H LYS 5 -6.477 -0.715 -9.567 34 HA LYS 5 HA LYS 5 -4.704 0.868 -11.311 35 HB2 LYS 5 2HB LYS 5 -6.017 -0.730 -13.063 36 HB3 LYS 5 3HB LYS 5 -4.446 -1.111 -12.370 37 HG2 LYS 5 2HG LYS 5 -5.307 -2.685 -10.934 38 HG3 LYS 5 3HG LYS 5 -6.917 -1.961 -10.936 39 HD2 LYS 5 2HD LYS 5 -6.914 -4.070 -12.158 40 HD3 LYS 5 3HD LYS 5 -7.249 -2.719 -13.244 41 HE2 LYS 5 2HE LYS 5 -5.281 -2.950 -14.357 42 HE3 LYS 5 3HE LYS 5 -4.416 -3.522 -12.931 43 HZ1 LYS 5 1HZ LYS 5 -4.546 -5.373 -14.306 44 HZ2 LYS 5 2HZ LYS 5 -6.140 -5.055 -14.773 45 HZ3 LYS 5 3HZ LYS 5 -5.814 -5.620 -13.212 46 H LEU 6 H LEU 6 -6.874 1.947 -9.807 47 HA LEU 6 HA LEU 6 -9.320 2.188 -10.959 48 HB2 LEU 6 2HB LEU 6 -7.661 3.821 -9.258 49 HB3 LEU 6 3HB LEU 6 -8.633 4.824 -10.333 50 HG LEU 6 HG LEU 6 -9.863 2.664 -8.647 51 HD11 LEU 6 1HD1 LEU 6 -10.405 5.095 -7.425 52 HD12 LEU 6 2HD1 LEU 6 -8.674 5.144 -7.758 53 HD13 LEU 6 3HD1 LEU 6 -9.353 3.816 -6.817 54 HD21 LEU 6 1HD2 LEU 6 -10.938 4.011 -10.670 55 HD22 LEU 6 2HD2 LEU 6 -11.212 5.197 -9.394 56 HD23 LEU 6 3HD2 LEU 6 -11.864 3.565 -9.237 57 H PHE 7 H PHE 7 -6.331 3.705 -12.044 58 HA PHE 7 HA PHE 7 -7.739 4.559 -14.488 59 HB2 PHE 7 2HB PHE 7 -6.671 6.297 -12.736 60 HB3 PHE 7 3HB PHE 7 -5.244 5.968 -13.714 61 HD1 PHE 7 HD1 PHE 7 -4.908 7.124 -15.687 62 HD2 PHE 7 HD2 PHE 7 -8.816 6.960 -14.009 63 HE1 PHE 7 HE1 PHE 7 -5.699 8.724 -17.381 64 HE2 PHE 7 HE2 PHE 7 -9.614 8.558 -15.700 65 HZ PHE 7 HZ PHE 7 -8.055 9.442 -17.390 66 H ALA 8 H ALA 8 -5.395 2.569 -13.181 67 HA ALA 8 HA ALA 8 -3.473 2.597 -15.288 68 HB1 ALA 8 1HB ALA 8 -3.705 0.109 -13.763 69 HB2 ALA 8 2HB ALA 8 -2.319 1.176 -13.996 70 HB3 ALA 8 3HB ALA 8 -3.529 1.556 -12.770 71 H LYS 9 H LYS 9 -6.500 0.969 -14.751 72 HA LYS 9 HA LYS 9 -6.060 -0.911 -16.925 73 HB2 LYS 9 2HB LYS 9 -8.333 -1.718 -16.363 74 HB3 LYS 9 3HB LYS 9 -7.246 -1.730 -14.981 75 HG2 LYS 9 2HG LYS 9 -8.617 -0.434 -13.825 76 HG3 LYS 9 3HG LYS 9 -8.634 0.776 -15.110 77 HD2 LYS 9 2HD LYS 9 -10.606 0.054 -15.936 78 HD3 LYS 9 3HD LYS 9 -10.223 -1.644 -15.642 79 HE2 LYS 9 2HE LYS 9 -10.939 -1.544 -13.425 80 HE3 LYS 9 3HE LYS 9 -10.830 0.215 -13.371 81 HZ1 LYS 9 1HZ LYS 9 -13.048 0.037 -13.627 82 HZ2 LYS 9 2HZ LYS 9 -12.971 -1.482 -14.366 83 HZ3 LYS 9 3HZ LYS 9 -12.654 -0.086 -15.268 84 H ILE 10 H ILE 10 -7.807 2.053 -16.272 85 HA ILE 10 HA ILE 10 -9.381 1.992 -18.655 86 HB ILE 10 HB ILE 10 -10.184 4.091 -18.062 87 HG12 ILE 10 2HG1 ILE 10 -8.750 5.373 -16.193 88 HG13 ILE 10 3HG1 ILE 10 -7.444 4.495 -16.981 89 HG21 ILE 10 1HG2 ILE 10 -10.142 2.147 -16.187 90 HG22 ILE 10 2HG2 ILE 10 -9.420 3.480 -15.288 91 HG23 ILE 10 3HG2 ILE 10 -11.017 3.668 -16.012 92 HD11 ILE 10 1HD1 ILE 10 -8.991 6.790 -17.902 93 HD12 ILE 10 2HD1 ILE 10 -7.373 6.251 -18.351 94 HD13 ILE 10 3HD1 ILE 10 -8.788 5.524 -19.112 95 H THR 11 H THR 11 -6.184 3.071 -17.844 96 HA THR 11 HA THR 11 -5.881 4.666 -20.241 97 HB THR 11 HB THR 11 -3.463 4.794 -19.489 98 HG1 THR 11 HG1 THR 11 -3.081 4.085 -17.334 99 HG21 THR 11 1HG2 THR 11 -5.592 5.677 -17.536 100 HG22 THR 11 2HG2 THR 11 -5.070 6.559 -18.972 101 HG23 THR 11 3HG2 THR 11 -3.954 6.321 -17.628 102 H LYS 12 H LYS 12 -5.397 3.844 -22.158 103 HA LYS 12 HA LYS 12 -3.914 1.299 -22.269 104 HB2 LYS 12 2HB LYS 12 -5.118 1.008 -24.513 105 HB3 LYS 12 3HB LYS 12 -6.062 0.759 -23.050 106 HG2 LYS 12 2HG LYS 12 -7.430 2.011 -24.486 107 HG3 LYS 12 3HG LYS 12 -6.823 3.160 -23.292 108 HD2 LYS 12 2HD LYS 12 -5.621 4.309 -24.822 109 HD3 LYS 12 3HD LYS 12 -5.173 2.854 -25.714 110 HE2 LYS 12 2HE LYS 12 -7.958 3.981 -25.783 111 HE3 LYS 12 3HE LYS 12 -6.699 4.530 -26.888 112 HZ1 LYS 12 1HZ LYS 12 -8.254 2.635 -27.613 113 HZ2 LYS 12 2HZ LYS 12 -7.292 1.656 -26.624 114 HZ3 LYS 12 3HZ LYS 12 -6.598 2.486 -27.925 115 H LYS 13 H LYS 13 -3.165 4.266 -22.425 116 HA LYS 13 HA LYS 13 -1.698 4.100 -24.977 117 HB2 LYS 13 2HB LYS 13 -1.623 6.746 -24.424 118 HB3 LYS 13 3HB LYS 13 -2.851 5.993 -25.434 119 HG2 LYS 13 2HG LYS 13 -4.467 6.119 -23.798 120 HG3 LYS 13 3HG LYS 13 -3.285 6.203 -22.489 121 HD2 LYS 13 2HD LYS 13 -3.854 8.393 -22.509 122 HD3 LYS 13 3HD LYS 13 -2.662 8.459 -23.809 123 HE2 LYS 13 2HE LYS 13 -4.390 8.292 -25.472 124 HE3 LYS 13 3HE LYS 13 -5.615 8.019 -24.234 125 HZ1 LYS 13 1HZ LYS 13 -5.913 10.197 -24.157 126 HZ2 LYS 13 2HZ LYS 13 -4.650 10.465 -25.250 127 HZ3 LYS 13 3HZ LYS 13 -4.331 10.394 -23.590 128 H ASN 14 H ASN 14 -1.372 6.259 -22.180 129 HA ASN 14 HA ASN 14 1.380 6.386 -22.170 130 HB2 ASN 14 2HB ASN 14 -0.763 7.097 -20.351 131 HB3 ASN 14 3HB ASN 14 0.662 6.553 -19.471 132 HD21 ASN 14 1HD2 ASN 14 1.979 8.120 -18.935 133 HD22 ASN 14 2HD2 ASN 14 2.251 9.579 -19.820 134 H MET 15 H MET 15 -0.696 3.879 -20.942 135 HA MET 15 HA MET 15 1.071 2.589 -19.197 136 HB2 MET 15 2HB MET 15 -1.390 2.119 -19.480 137 HB3 MET 15 3HB MET 15 -0.985 1.233 -20.945 138 HG2 MET 15 2HG MET 15 -0.731 -0.569 -19.692 139 HG3 MET 15 3HG MET 15 0.697 0.189 -18.992 140 HE1 MET 15 1HE MET 15 1.009 0.963 -16.858 141 HE2 MET 15 2HE MET 15 -0.112 2.323 -16.780 142 HE3 MET 15 3HE MET 15 -0.146 1.078 -15.530 143 H ALA 16 H ALA 16 0.416 1.917 -22.637 144 HA ALA 16 HA ALA 16 2.550 0.015 -22.830 145 HB1 ALA 16 1HB ALA 16 2.050 0.247 -25.328 146 HB2 ALA 16 2HB ALA 16 0.767 -0.382 -24.292 147 HB3 ALA 16 3HB ALA 16 0.720 1.296 -24.834 148 H HIS 17 H HIS 17 2.638 3.258 -22.489 149 HA HIS 17 HA HIS 17 4.918 3.637 -24.304 150 HB2 HIS 17 2HB HIS 17 2.743 5.328 -23.481 151 HB3 HIS 17 3HB HIS 17 4.273 6.077 -23.035 152 HD1 HIS 17 HD1 HIS 17 5.337 7.413 -24.822 153 HD2 HIS 17 HD2 HIS 17 2.752 4.550 -26.364 154 HE1 HIS 17 HE1 HIS 17 5.303 7.806 -27.305 155 H ILE 18 H ILE 18 4.087 3.195 -21.028 156 HA ILE 18 HA ILE 18 5.999 4.620 -19.635 157 HB ILE 18 HB ILE 18 5.805 3.008 -17.863 158 HG12 ILE 18 2HG1 ILE 18 4.826 1.201 -20.057 159 HG13 ILE 18 3HG1 ILE 18 6.090 0.907 -18.867 160 HG21 ILE 18 1HG2 ILE 18 3.829 4.487 -18.573 161 HG22 ILE 18 2HG2 ILE 18 3.102 2.991 -19.158 162 HG23 ILE 18 3HG2 ILE 18 3.515 3.162 -17.452 163 HD11 ILE 18 1HD1 ILE 18 4.317 0.843 -17.118 164 HD12 ILE 18 2HD1 ILE 18 3.121 0.925 -18.411 165 HD13 ILE 18 3HD1 ILE 18 4.221 -0.449 -18.314 166 H ARG 19 H ARG 19 6.327 1.534 -21.321 167 HA ARG 19 HA ARG 19 9.055 1.161 -20.481 168 HB2 ARG 19 2HB ARG 19 9.031 -0.795 -21.920 169 HB3 ARG 19 3HB ARG 19 7.567 -0.752 -20.946 170 HG2 ARG 19 2HG ARG 19 6.582 0.457 -23.059 171 HG3 ARG 19 3HG ARG 19 7.912 -0.368 -23.873 172 HD2 ARG 19 2HD ARG 19 6.276 -1.983 -22.012 173 HD3 ARG 19 3HD ARG 19 5.501 -1.475 -23.512 174 HE ARG 19 HE ARG 19 7.521 -3.467 -23.216 175 HH11 ARG 19 1HH1 ARG 19 6.265 -1.046 -25.380 176 HH12 ARG 19 2HH1 ARG 19 6.843 -1.838 -26.809 177 HH21 ARG 19 1HH2 ARG 19 8.286 -4.518 -25.090 178 HH22 ARG 19 2HH2 ARG 19 7.991 -3.813 -26.643 Start of MODEL 18 1 H1 CYS 1 H CYS 1 2.006 -2.165 -11.092 2 HA CYS 1 HA CYS 1 0.341 -3.462 -10.211 3 HB2 CYS 1 2HB CYS 1 1.103 -5.232 -8.446 4 HB3 CYS 1 3HB CYS 1 1.510 -5.465 -10.142 5 HG CYS 1 HG CYS 1 3.925 -6.039 -9.446 6 H PHE 2 H PHE 2 -0.313 -4.224 -7.730 7 HA PHE 2 HA PHE 2 -0.994 -3.498 -5.684 8 HB2 PHE 2 2HB PHE 2 1.271 -1.508 -5.743 9 HB3 PHE 2 3HB PHE 2 0.489 -2.217 -4.334 10 HD1 PHE 2 HD1 PHE 2 0.473 -5.039 -4.862 11 HD2 PHE 2 HD2 PHE 2 3.475 -2.156 -5.753 12 HE1 PHE 2 HE1 PHE 2 2.183 -6.807 -4.801 13 HE2 PHE 2 HE2 PHE 2 5.190 -3.919 -5.695 14 HZ PHE 2 HZ PHE 2 4.545 -6.248 -5.219 15 H LEU 3 H LEU 3 -1.918 -1.585 -4.548 16 HA LEU 3 HA LEU 3 -3.272 0.241 -4.511 17 HB2 LEU 3 2HB LEU 3 -1.051 0.967 -6.227 18 HB3 LEU 3 3HB LEU 3 -2.530 1.814 -6.673 19 HG LEU 3 HG LEU 3 -2.568 2.271 -4.040 20 HD11 LEU 3 1HD1 LEU 3 -0.484 0.996 -3.678 21 HD12 LEU 3 2HD1 LEU 3 -0.352 2.685 -3.190 22 HD13 LEU 3 3HD1 LEU 3 0.369 2.148 -4.706 23 HD21 LEU 3 1HD2 LEU 3 -1.180 3.744 -6.253 24 HD22 LEU 3 2HD2 LEU 3 -1.251 4.401 -4.618 25 HD23 LEU 3 3HD2 LEU 3 -2.742 4.077 -5.504 26 HA PRO 4 HA PRO 4 -6.570 -0.418 -7.329 27 HB2 PRO 4 2HB PRO 4 -7.766 2.017 -7.414 28 HB3 PRO 4 3HB PRO 4 -7.852 0.954 -6.005 29 HG2 PRO 4 2HG PRO 4 -6.071 3.310 -6.494 30 HG3 PRO 4 3HG PRO 4 -6.949 2.858 -5.021 31 HD2 PRO 4 2HD PRO 4 -4.307 2.368 -5.350 32 HD3 PRO 4 3HD PRO 4 -5.365 1.302 -4.403 33 H LYS 5 H LYS 5 -7.372 0.008 -9.442 34 HA LYS 5 HA LYS 5 -5.553 1.620 -11.110 35 HB2 LYS 5 2HB LYS 5 -6.623 -0.134 -12.881 36 HB3 LYS 5 3HB LYS 5 -5.093 -0.382 -12.050 37 HG2 LYS 5 2HG LYS 5 -5.976 -1.935 -10.599 38 HG3 LYS 5 3HG LYS 5 -7.623 -1.325 -10.781 39 HD2 LYS 5 2HD LYS 5 -7.424 -3.465 -11.888 40 HD3 LYS 5 3HD LYS 5 -7.652 -2.196 -13.094 41 HE2 LYS 5 2HE LYS 5 -4.893 -2.377 -12.755 42 HE3 LYS 5 3HE LYS 5 -5.457 -4.047 -12.748 43 HZ1 LYS 5 1HZ LYS 5 -5.092 -3.592 -14.976 44 HZ2 LYS 5 2HZ LYS 5 -5.718 -2.024 -14.879 45 HZ3 LYS 5 3HZ LYS 5 -6.760 -3.355 -14.821 46 H LEU 6 H LEU 6 -7.909 2.621 -9.841 47 HA LEU 6 HA LEU 6 -10.254 2.663 -11.209 48 HB2 LEU 6 2HB LEU 6 -8.952 4.334 -9.340 49 HB3 LEU 6 3HB LEU 6 -9.588 5.377 -10.611 50 HG LEU 6 HG LEU 6 -11.386 3.344 -9.370 51 HD11 LEU 6 1HD1 LEU 6 -11.158 4.199 -7.335 52 HD12 LEU 6 2HD1 LEU 6 -11.802 5.714 -7.965 53 HD13 LEU 6 3HD1 LEU 6 -10.059 5.450 -7.917 54 HD21 LEU 6 1HD2 LEU 6 -12.863 5.523 -9.690 55 HD22 LEU 6 2HD2 LEU 6 -12.543 4.407 -11.018 56 HD23 LEU 6 3HD2 LEU 6 -11.607 5.895 -10.871 57 H PHE 7 H PHE 7 -7.274 4.320 -12.101 58 HA PHE 7 HA PHE 7 -8.509 4.986 -14.692 59 HB2 PHE 7 2HB PHE 7 -7.702 6.854 -12.934 60 HB3 PHE 7 3HB PHE 7 -6.180 6.578 -13.775 61 HD1 PHE 7 HD1 PHE 7 -5.746 7.678 -15.762 62 HD2 PHE 7 HD2 PHE 7 -9.766 7.330 -14.409 63 HE1 PHE 7 HE1 PHE 7 -6.483 9.157 -17.584 64 HE2 PHE 7 HE2 PHE 7 -10.510 8.808 -16.230 65 HZ PHE 7 HZ PHE 7 -8.868 9.723 -17.821 66 H ALA 8 H ALA 8 -6.180 3.197 -13.103 67 HA ALA 8 HA ALA 8 -4.083 3.263 -15.035 68 HB1 ALA 8 1HB ALA 8 -2.967 1.961 -13.592 69 HB2 ALA 8 2HB ALA 8 -4.296 2.323 -12.489 70 HB3 ALA 8 3HB ALA 8 -4.308 0.828 -13.424 71 H LYS 9 H LYS 9 -7.044 1.470 -14.688 72 HA LYS 9 HA LYS 9 -6.304 -0.460 -16.733 73 HB2 LYS 9 2HB LYS 9 -8.569 -1.384 -16.335 74 HB3 LYS 9 3HB LYS 9 -7.607 -1.279 -14.866 75 HG2 LYS 9 2HG LYS 9 -9.143 -0.024 -13.885 76 HG3 LYS 9 3HG LYS 9 -9.122 1.131 -15.219 77 HD2 LYS 9 2HD LYS 9 -10.964 0.246 -16.183 78 HD3 LYS 9 3HD LYS 9 -10.518 -1.408 -15.757 79 HE2 LYS 9 2HE LYS 9 -12.427 -1.007 -14.483 80 HE3 LYS 9 3HE LYS 9 -11.105 -0.727 -13.350 81 HZ1 LYS 9 1HZ LYS 9 -12.416 1.100 -12.997 82 HZ2 LYS 9 2HZ LYS 9 -12.912 1.216 -14.609 83 HZ3 LYS 9 3HZ LYS 9 -11.357 1.711 -14.166 84 H ILE 10 H ILE 10 -8.275 2.411 -16.362 85 HA ILE 10 HA ILE 10 -9.626 2.161 -18.866 86 HB ILE 10 HB ILE 10 -10.598 4.229 -18.437 87 HG12 ILE 10 2HG1 ILE 10 -9.412 5.667 -16.509 88 HG13 ILE 10 3HG1 ILE 10 -7.993 4.840 -17.141 89 HG21 ILE 10 1HG2 ILE 10 -10.610 2.364 -16.482 90 HG22 ILE 10 2HG2 ILE 10 -10.050 3.773 -15.584 91 HG23 ILE 10 3HG2 ILE 10 -11.584 3.833 -16.452 92 HD11 ILE 10 1HD1 ILE 10 -7.891 6.512 -18.602 93 HD12 ILE 10 2HD1 ILE 10 -9.239 5.716 -19.416 94 HD13 ILE 10 3HD1 ILE 10 -9.547 7.021 -18.270 95 H THR 11 H THR 11 -6.582 3.469 -17.832 96 HA THR 11 HA THR 11 -6.163 4.982 -20.266 97 HB THR 11 HB THR 11 -3.835 5.298 -19.315 98 HG1 THR 11 HG1 THR 11 -3.454 3.791 -17.837 99 HG21 THR 11 1HG2 THR 11 -4.581 6.859 -17.570 100 HG22 THR 11 2HG2 THR 11 -6.179 6.114 -17.593 101 HG23 THR 11 3HG2 THR 11 -5.585 6.972 -19.014 102 H LYS 12 H LYS 12 -5.446 4.126 -22.093 103 HA LYS 12 HA LYS 12 -3.834 1.661 -21.958 104 HB2 LYS 12 2HB LYS 12 -4.781 1.220 -24.287 105 HB3 LYS 12 3HB LYS 12 -5.880 1.011 -22.929 106 HG2 LYS 12 2HG LYS 12 -5.802 3.650 -24.295 107 HG3 LYS 12 3HG LYS 12 -6.608 2.301 -25.098 108 HD2 LYS 12 2HD LYS 12 -7.777 1.984 -22.791 109 HD3 LYS 12 3HD LYS 12 -7.292 3.660 -22.522 110 HE2 LYS 12 2HE LYS 12 -9.234 4.152 -23.535 111 HE3 LYS 12 3HE LYS 12 -8.349 3.806 -25.020 112 HZ1 LYS 12 1HZ LYS 12 -9.564 1.993 -25.390 113 HZ2 LYS 12 2HZ LYS 12 -10.633 2.581 -24.219 114 HZ3 LYS 12 3HZ LYS 12 -9.444 1.457 -23.790 115 H LYS 13 H LYS 13 -3.275 4.694 -22.194 116 HA LYS 13 HA LYS 13 -1.680 4.624 -24.661 117 HB2 LYS 13 2HB LYS 13 -1.757 7.161 -23.207 118 HB3 LYS 13 3HB LYS 13 -2.072 6.827 -24.905 119 HG2 LYS 13 2HG LYS 13 -4.326 5.916 -24.129 120 HG3 LYS 13 3HG LYS 13 -3.976 6.710 -22.592 121 HD2 LYS 13 2HD LYS 13 -5.177 8.334 -23.722 122 HD3 LYS 13 3HD LYS 13 -3.509 8.794 -24.073 123 HE2 LYS 13 2HE LYS 13 -4.761 6.899 -25.958 124 HE3 LYS 13 3HE LYS 13 -5.421 8.534 -25.953 125 HZ1 LYS 13 1HZ LYS 13 -2.707 7.634 -26.646 126 HZ2 LYS 13 2HZ LYS 13 -2.945 9.211 -26.083 127 HZ3 LYS 13 3HZ LYS 13 -3.732 8.686 -27.485 128 H ASN 14 H ASN 14 -1.283 6.240 -21.509 129 HA ASN 14 HA ASN 14 1.528 6.178 -21.587 130 HB2 ASN 14 2HB ASN 14 -0.517 7.110 -19.793 131 HB3 ASN 14 3HB ASN 14 0.735 6.276 -18.878 132 HD21 ASN 14 1HD2 ASN 14 2.091 7.690 -18.067 133 HD22 ASN 14 2HD2 ASN 14 2.734 9.071 -18.881 134 H MET 15 H MET 15 -0.765 3.769 -20.807 135 HA MET 15 HA MET 15 0.630 2.219 -18.946 136 HB2 MET 15 2HB MET 15 -1.763 1.918 -19.684 137 HB3 MET 15 3HB MET 15 -1.147 1.149 -21.141 138 HG2 MET 15 2HG MET 15 -1.173 -0.773 -20.055 139 HG3 MET 15 3HG MET 15 0.128 -0.156 -19.039 140 HE1 MET 15 1HE MET 15 -1.194 -0.219 -15.696 141 HE2 MET 15 2HE MET 15 -0.749 -1.631 -16.654 142 HE3 MET 15 3HE MET 15 0.137 -0.118 -16.850 143 H ALA 16 H ALA 16 0.545 1.914 -22.498 144 HA ALA 16 HA ALA 16 2.607 -0.075 -22.529 145 HB1 ALA 16 1HB ALA 16 1.689 -0.449 -24.512 146 HB2 ALA 16 2HB ALA 16 0.755 1.044 -24.398 147 HB3 ALA 16 3HB ALA 16 2.377 1.069 -25.090 148 H HIS 17 H HIS 17 2.758 3.113 -21.851 149 HA HIS 17 HA HIS 17 5.325 3.535 -23.216 150 HB2 HIS 17 2HB HIS 17 3.106 5.257 -22.600 151 HB3 HIS 17 3HB HIS 17 4.565 5.879 -21.834 152 HD1 HIS 17 HD1 HIS 17 2.876 5.579 -25.083 153 HD2 HIS 17 HD2 HIS 17 6.681 6.496 -23.689 154 HE1 HIS 17 HE1 HIS 17 4.065 6.644 -27.026 155 H ILE 18 H ILE 18 3.933 2.837 -20.185 156 HA ILE 18 HA ILE 18 5.632 4.022 -18.359 157 HB ILE 18 HB ILE 18 5.079 2.267 -16.813 158 HG12 ILE 18 2HG1 ILE 18 4.421 0.724 -19.308 159 HG13 ILE 18 3HG1 ILE 18 5.453 0.256 -17.962 160 HG21 ILE 18 1HG2 ILE 18 2.761 2.507 -16.772 161 HG22 ILE 18 2HG2 ILE 18 3.308 3.907 -17.693 162 HG23 ILE 18 3HG2 ILE 18 2.635 2.509 -18.531 163 HD11 ILE 18 1HD1 ILE 18 3.468 -1.045 -17.862 164 HD12 ILE 18 2HD1 ILE 18 3.407 0.127 -16.545 165 HD13 ILE 18 3HD1 ILE 18 2.452 0.389 -18.004 166 H ARG 19 H ARG 19 6.126 1.092 -20.267 167 HA ARG 19 HA ARG 19 8.897 0.983 -19.273 168 HB2 ARG 19 2HB ARG 19 6.901 -1.095 -19.850 169 HB3 ARG 19 3HB ARG 19 8.495 -1.424 -20.517 170 HG2 ARG 19 2HG ARG 19 8.902 -0.543 -17.879 171 HG3 ARG 19 3HG ARG 19 7.567 -1.696 -17.830 172 HD2 ARG 19 2HD ARG 19 8.997 -3.255 -19.183 173 HD3 ARG 19 3HD ARG 19 10.332 -2.128 -18.946 174 HE ARG 19 HE ARG 19 10.591 -2.970 -16.845 175 HH11 ARG 19 1HH1 ARG 19 7.372 -3.710 -17.946 176 HH12 ARG 19 2HH1 ARG 19 6.979 -4.673 -16.561 177 HH21 ARG 19 1HH2 ARG 19 10.085 -4.236 -15.016 178 HH22 ARG 19 2HH2 ARG 19 8.522 -4.971 -14.894 Start of MODEL 19 1 H1 CYS 1 H CYS 1 0.277 0.604 0.748 2 HA CYS 1 HA CYS 1 1.175 0.537 -1.340 3 HB2 CYS 1 2HB CYS 1 1.741 -1.995 -0.104 4 HB3 CYS 1 3HB CYS 1 1.499 -2.228 -1.831 5 HG CYS 1 HG CYS 1 3.466 0.374 -1.168 6 H PHE 2 H PHE 2 -0.490 -2.596 -1.454 7 HA PHE 2 HA PHE 2 -1.973 -3.451 -2.960 8 HB2 PHE 2 2HB PHE 2 -3.141 -1.268 -1.688 9 HB3 PHE 2 3HB PHE 2 -3.502 -1.014 -3.392 10 HD1 PHE 2 HD1 PHE 2 -5.453 -1.907 -4.186 11 HD2 PHE 2 HD2 PHE 2 -3.507 -3.803 -0.910 12 HE1 PHE 2 HE1 PHE 2 -7.292 -3.535 -4.040 13 HE2 PHE 2 HE2 PHE 2 -5.342 -5.434 -0.760 14 HZ PHE 2 HZ PHE 2 -7.238 -5.302 -2.326 15 H LEU 3 H LEU 3 -3.366 -2.465 -5.083 16 HA LEU 3 HA LEU 3 -1.328 -1.284 -6.845 17 HB2 LEU 3 2HB LEU 3 -3.054 -3.692 -7.366 18 HB3 LEU 3 3HB LEU 3 -2.230 -2.806 -8.647 19 HG LEU 3 HG LEU 3 -0.117 -3.315 -7.121 20 HD11 LEU 3 1HD1 LEU 3 -1.999 -5.591 -6.517 21 HD12 LEU 3 2HD1 LEU 3 -1.383 -4.416 -5.357 22 HD13 LEU 3 3HD1 LEU 3 -0.277 -5.546 -6.138 23 HD21 LEU 3 1HD2 LEU 3 0.496 -4.779 -8.745 24 HD22 LEU 3 2HD2 LEU 3 -0.930 -4.102 -9.532 25 HD23 LEU 3 3HD2 LEU 3 -1.036 -5.651 -8.695 26 HA PRO 4 HA PRO 4 -5.388 0.977 -7.112 27 HB2 PRO 4 2HB PRO 4 -4.299 3.452 -6.871 28 HB3 PRO 4 3HB PRO 4 -4.769 2.469 -5.479 29 HG2 PRO 4 2HG PRO 4 -2.060 2.869 -6.687 30 HG3 PRO 4 3HG PRO 4 -2.529 2.838 -4.977 31 HD2 PRO 4 2HD PRO 4 -1.397 0.713 -6.217 32 HD3 PRO 4 3HD PRO 4 -2.578 0.535 -4.903 33 H LYS 5 H LYS 5 -5.362 0.233 -9.323 34 HA LYS 5 HA LYS 5 -4.128 2.162 -11.179 35 HB2 LYS 5 2HB LYS 5 -4.618 0.013 -12.759 36 HB3 LYS 5 3HB LYS 5 -3.083 0.317 -11.957 37 HG2 LYS 5 2HG LYS 5 -3.444 -1.293 -10.354 38 HG3 LYS 5 3HG LYS 5 -5.199 -1.229 -10.534 39 HD2 LYS 5 2HD LYS 5 -4.367 -3.299 -11.462 40 HD3 LYS 5 3HD LYS 5 -4.972 -2.273 -12.764 41 HE2 LYS 5 2HE LYS 5 -2.290 -1.579 -12.502 42 HE3 LYS 5 3HE LYS 5 -2.316 -3.333 -12.324 43 HZ1 LYS 5 1HZ LYS 5 -2.139 -3.063 -14.587 44 HZ2 LYS 5 2HZ LYS 5 -3.131 -1.694 -14.628 45 HZ3 LYS 5 3HZ LYS 5 -3.813 -3.226 -14.408 46 H LEU 6 H LEU 6 -6.667 2.525 -9.933 47 HA LEU 6 HA LEU 6 -8.921 1.724 -11.223 48 HB2 LEU 6 2HB LEU 6 -9.701 4.176 -10.839 49 HB3 LEU 6 3HB LEU 6 -9.340 3.132 -9.465 50 HG LEU 6 HG LEU 6 -7.054 4.715 -10.375 51 HD11 LEU 6 1HD1 LEU 6 -8.751 6.357 -10.869 52 HD12 LEU 6 2HD1 LEU 6 -7.895 6.816 -9.397 53 HD13 LEU 6 3HD1 LEU 6 -9.503 6.100 -9.294 54 HD21 LEU 6 1HD2 LEU 6 -7.826 3.360 -8.112 55 HD22 LEU 6 2HD2 LEU 6 -8.045 5.050 -7.656 56 HD23 LEU 6 3HD2 LEU 6 -6.474 4.486 -8.231 57 H PHE 7 H PHE 7 -6.588 4.111 -12.349 58 HA PHE 7 HA PHE 7 -7.978 4.133 -14.947 59 HB2 PHE 7 2HB PHE 7 -7.770 6.312 -13.384 60 HB3 PHE 7 3HB PHE 7 -6.239 6.433 -14.244 61 HD1 PHE 7 HD1 PHE 7 -6.166 7.422 -16.333 62 HD2 PHE 7 HD2 PHE 7 -9.887 6.006 -14.828 63 HE1 PHE 7 HE1 PHE 7 -7.324 8.436 -18.253 64 HE2 PHE 7 HE2 PHE 7 -11.051 7.016 -16.746 65 HZ PHE 7 HZ PHE 7 -9.770 8.232 -18.462 66 H ALA 8 H ALA 8 -5.210 3.284 -13.285 67 HA ALA 8 HA ALA 8 -3.239 3.805 -15.279 68 HB1 ALA 8 1HB ALA 8 -1.776 3.039 -13.764 69 HB2 ALA 8 2HB ALA 8 -3.148 3.078 -12.656 70 HB3 ALA 8 3HB ALA 8 -2.708 1.572 -13.461 71 H LYS 9 H LYS 9 -5.512 1.237 -14.686 72 HA LYS 9 HA LYS 9 -4.230 -0.554 -16.583 73 HB2 LYS 9 2HB LYS 9 -6.103 -2.081 -16.034 74 HB3 LYS 9 3HB LYS 9 -5.212 -1.556 -14.612 75 HG2 LYS 9 2HG LYS 9 -7.054 -0.746 -13.692 76 HG3 LYS 9 3HG LYS 9 -7.390 0.239 -15.118 77 HD2 LYS 9 2HD LYS 9 -8.884 -1.240 -15.943 78 HD3 LYS 9 3HD LYS 9 -7.950 -2.638 -15.407 79 HE2 LYS 9 2HE LYS 9 -10.116 -2.458 -14.254 80 HE3 LYS 9 3HE LYS 9 -8.753 -2.347 -13.142 81 HZ1 LYS 9 1HZ LYS 9 -9.178 -0.180 -12.689 82 HZ2 LYS 9 2HZ LYS 9 -10.757 -0.661 -13.058 83 HZ3 LYS 9 3HZ LYS 9 -9.828 0.149 -14.216 84 H ILE 10 H ILE 10 -6.980 1.605 -16.392 85 HA ILE 10 HA ILE 10 -8.205 0.732 -18.821 86 HB ILE 10 HB ILE 10 -9.756 2.441 -18.538 87 HG12 ILE 10 2HG1 ILE 10 -9.051 4.339 -16.779 88 HG13 ILE 10 3HG1 ILE 10 -7.452 3.925 -17.386 89 HG21 ILE 10 1HG2 ILE 10 -10.566 1.948 -16.496 90 HG22 ILE 10 2HG2 ILE 10 -9.191 0.846 -16.432 91 HG23 ILE 10 3HG2 ILE 10 -9.083 2.435 -15.676 92 HD11 ILE 10 1HD1 ILE 10 -8.810 4.177 -19.702 93 HD12 ILE 10 2HD1 ILE 10 -9.659 5.345 -18.689 94 HD13 ILE 10 3HD1 ILE 10 -7.917 5.483 -18.923 95 H THR 11 H THR 11 -5.696 2.987 -18.004 96 HA THR 11 HA THR 11 -5.770 4.328 -20.569 97 HB THR 11 HB THR 11 -3.638 5.412 -19.727 98 HG1 THR 11 HG1 THR 11 -3.278 3.615 -18.169 99 HG21 THR 11 1HG2 THR 11 -6.112 5.642 -18.007 100 HG22 THR 11 2HG2 THR 11 -5.807 6.508 -19.513 101 HG23 THR 11 3HG2 THR 11 -4.810 6.828 -18.095 102 H LYS 12 H LYS 12 -4.846 3.559 -22.341 103 HA LYS 12 HA LYS 12 -2.556 1.725 -22.055 104 HB2 LYS 12 2HB LYS 12 -3.368 0.835 -24.332 105 HB3 LYS 12 3HB LYS 12 -4.264 0.364 -22.893 106 HG2 LYS 12 2HG LYS 12 -5.863 0.901 -24.541 107 HG3 LYS 12 3HG LYS 12 -5.854 2.247 -23.398 108 HD2 LYS 12 2HD LYS 12 -4.856 3.684 -24.891 109 HD3 LYS 12 3HD LYS 12 -4.086 2.379 -25.796 110 HE2 LYS 12 2HE LYS 12 -7.051 2.491 -25.798 111 HE3 LYS 12 3HE LYS 12 -6.190 3.717 -26.726 112 HZ1 LYS 12 1HZ LYS 12 -6.818 1.277 -27.644 113 HZ2 LYS 12 2HZ LYS 12 -5.233 1.020 -27.116 114 HZ3 LYS 12 3HZ LYS 12 -5.559 2.228 -28.254 115 H LYS 13 H LYS 13 -2.945 4.745 -22.571 116 HA LYS 13 HA LYS 13 -1.214 4.870 -24.953 117 HB2 LYS 13 2HB LYS 13 -2.203 7.382 -24.817 118 HB3 LYS 13 3HB LYS 13 -2.922 6.101 -25.784 119 HG2 LYS 13 2HG LYS 13 -4.665 5.782 -24.314 120 HG3 LYS 13 3HG LYS 13 -3.777 6.463 -22.949 121 HD2 LYS 13 2HD LYS 13 -4.995 8.308 -23.320 122 HD3 LYS 13 3HD LYS 13 -3.900 8.582 -24.678 123 HE2 LYS 13 2HE LYS 13 -5.496 7.206 -26.073 124 HE3 LYS 13 3HE LYS 13 -6.621 7.294 -24.719 125 HZ1 LYS 13 1HZ LYS 13 -7.172 9.030 -26.205 126 HZ2 LYS 13 2HZ LYS 13 -5.566 9.544 -26.336 127 HZ3 LYS 13 3HZ LYS 13 -6.409 9.765 -24.886 128 H ASN 14 H ASN 14 -2.078 7.314 -22.534 129 HA ASN 14 HA ASN 14 0.518 8.347 -22.324 130 HB2 ASN 14 2HB ASN 14 -2.056 8.846 -21.140 131 HB3 ASN 14 3HB ASN 14 -0.812 8.891 -19.893 132 HD21 ASN 14 1HD2 ASN 14 -0.618 11.005 -19.516 133 HD22 ASN 14 2HD2 ASN 14 -0.207 12.189 -20.705 134 H MET 15 H MET 15 -0.898 5.561 -20.937 135 HA MET 15 HA MET 15 1.163 5.385 -18.863 136 HB2 MET 15 2HB MET 15 -1.277 4.941 -18.344 137 HB3 MET 15 3HB MET 15 -1.137 3.486 -19.321 138 HG2 MET 15 2HG MET 15 -0.512 2.432 -17.479 139 HG3 MET 15 3HG MET 15 1.000 3.331 -17.571 140 HE1 MET 15 1HE MET 15 1.879 4.647 -15.968 141 HE2 MET 15 2HE MET 15 1.154 5.146 -14.439 142 HE3 MET 15 3HE MET 15 1.449 3.436 -14.759 143 H ALA 16 H ALA 16 -0.264 3.332 -21.407 144 HA ALA 16 HA ALA 16 1.498 1.227 -21.352 145 HB1 ALA 16 1HB ALA 16 0.427 2.392 -23.911 146 HB2 ALA 16 2HB ALA 16 0.820 0.708 -23.561 147 HB3 ALA 16 3HB ALA 16 -0.565 1.471 -22.779 148 H HIS 17 H HIS 17 2.064 4.461 -22.440 149 HA HIS 17 HA HIS 17 4.226 4.075 -24.167 150 HB2 HIS 17 2HB HIS 17 2.979 6.283 -22.812 151 HB3 HIS 17 3HB HIS 17 4.730 6.442 -22.712 152 HD1 HIS 17 HD1 HIS 17 1.887 6.648 -25.080 153 HD2 HIS 17 HD2 HIS 17 6.038 6.756 -25.215 154 HE1 HIS 17 HE1 HIS 17 2.463 7.521 -27.367 155 H ILE 18 H ILE 18 3.990 3.638 -20.783 156 HA ILE 18 HA ILE 18 6.703 4.088 -20.079 157 HB ILE 18 HB ILE 18 6.216 2.984 -18.005 158 HG12 ILE 18 2HG1 ILE 18 3.809 1.910 -19.472 159 HG13 ILE 18 3HG1 ILE 18 5.095 1.001 -18.686 160 HG21 ILE 18 1HG2 ILE 18 3.580 4.132 -18.167 161 HG22 ILE 18 2HG2 ILE 18 5.010 4.719 -17.318 162 HG23 ILE 18 3HG2 ILE 18 4.756 5.138 -19.012 163 HD11 ILE 18 1HD1 ILE 18 3.412 0.778 -17.164 164 HD12 ILE 18 2HD1 ILE 18 4.214 2.221 -16.543 165 HD13 ILE 18 3HD1 ILE 18 2.743 2.374 -17.502 166 H ARG 19 H ARG 19 4.894 1.232 -21.102 167 HA ARG 19 HA ARG 19 6.876 -0.690 -20.636 168 HB2 ARG 19 2HB ARG 19 4.364 -0.528 -22.113 169 HB3 ARG 19 3HB ARG 19 5.533 -1.594 -22.881 170 HG2 ARG 19 2HG ARG 19 5.767 -2.835 -20.779 171 HG3 ARG 19 3HG ARG 19 4.565 -1.778 -20.036 172 HD2 ARG 19 2HD ARG 19 3.452 -2.735 -22.446 173 HD3 ARG 19 3HD ARG 19 4.171 -4.120 -21.626 174 HE ARG 19 HE ARG 19 1.870 -2.604 -20.788 175 HH11 ARG 19 1HH1 ARG 19 4.427 -4.747 -19.795 176 HH12 ARG 19 2HH1 ARG 19 3.578 -5.326 -18.400 177 HH21 ARG 19 1HH2 ARG 19 0.741 -3.358 -18.954 178 HH22 ARG 19 2HH2 ARG 19 1.481 -4.536 -17.923 Start of MODEL 20 1 H1 CYS 1 H CYS 1 -0.129 -2.715 -7.633 2 HA CYS 1 HA CYS 1 -1.173 -4.831 -8.164 3 HB2 CYS 1 2HB CYS 1 0.280 -5.526 -5.765 4 HB3 CYS 1 3HB CYS 1 -1.393 -6.057 -5.645 5 HG CYS 1 HG CYS 1 -0.273 -8.293 -6.572 6 H PHE 2 H PHE 2 -1.704 -4.107 -4.721 7 HA PHE 2 HA PHE 2 -4.538 -3.769 -5.235 8 HB2 PHE 2 2HB PHE 2 -2.855 -3.931 -2.750 9 HB3 PHE 2 3HB PHE 2 -4.525 -3.381 -2.671 10 HD1 PHE 2 HD1 PHE 2 -2.403 -6.214 -3.779 11 HD2 PHE 2 HD2 PHE 2 -6.275 -4.913 -2.583 12 HE1 PHE 2 HE1 PHE 2 -3.163 -8.553 -3.709 13 HE2 PHE 2 HE2 PHE 2 -7.041 -7.249 -2.511 14 HZ PHE 2 HZ PHE 2 -5.485 -9.073 -3.073 15 H LEU 3 H LEU 3 -2.176 -1.795 -5.850 16 HA LEU 3 HA LEU 3 -2.749 0.555 -4.366 17 HB2 LEU 3 2HB LEU 3 -1.169 -0.134 -6.773 18 HB3 LEU 3 3HB LEU 3 -1.646 1.552 -6.589 19 HG LEU 3 HG LEU 3 -0.608 1.180 -4.170 20 HD11 LEU 3 1HD1 LEU 3 1.508 -0.191 -4.531 21 HD12 LEU 3 2HD1 LEU 3 0.669 -0.908 -5.907 22 HD13 LEU 3 3HD1 LEU 3 0.004 -1.079 -4.283 23 HD21 LEU 3 1HD2 LEU 3 0.121 2.909 -5.649 24 HD22 LEU 3 2HD2 LEU 3 0.896 1.741 -6.720 25 HD23 LEU 3 3HD2 LEU 3 1.547 2.025 -5.105 26 HA PRO 4 HA PRO 4 -6.256 2.259 -6.378 27 HB2 PRO 4 2HB PRO 4 -5.639 4.900 -6.500 28 HB3 PRO 4 3HB PRO 4 -6.052 4.079 -4.991 29 HG2 PRO 4 2HG PRO 4 -3.357 4.780 -6.089 30 HG3 PRO 4 3HG PRO 4 -3.963 4.932 -4.429 31 HD2 PRO 4 2HD PRO 4 -2.375 2.885 -5.219 32 HD3 PRO 4 3HD PRO 4 -3.619 2.700 -3.966 33 H LYS 5 H LYS 5 -6.474 1.594 -8.454 34 HA LYS 5 HA LYS 5 -4.967 3.070 -10.513 35 HB2 LYS 5 2HB LYS 5 -5.787 0.848 -11.831 36 HB3 LYS 5 3HB LYS 5 -4.221 1.005 -11.046 37 HG2 LYS 5 2HG LYS 5 -4.820 -0.330 -9.274 38 HG3 LYS 5 3HG LYS 5 -6.544 -0.009 -9.477 39 HD2 LYS 5 2HD LYS 5 -6.003 -2.293 -10.136 40 HD3 LYS 5 3HD LYS 5 -6.548 -1.353 -11.527 41 HE2 LYS 5 2HE LYS 5 -4.449 -1.287 -12.473 42 HE3 LYS 5 3HE LYS 5 -3.630 -1.511 -10.928 43 HZ1 LYS 5 1HZ LYS 5 -4.006 -3.438 -12.776 44 HZ2 LYS 5 2HZ LYS 5 -5.283 -3.737 -11.708 45 HZ3 LYS 5 3HZ LYS 5 -3.691 -3.720 -11.137 46 H LEU 6 H LEU 6 -7.407 3.975 -9.359 47 HA LEU 6 HA LEU 6 -9.768 3.378 -10.562 48 HB2 LEU 6 2HB LEU 6 -10.151 5.952 -10.505 49 HB3 LEU 6 3HB LEU 6 -9.948 5.050 -9.005 50 HG LEU 6 HG LEU 6 -7.449 6.127 -10.085 51 HD11 LEU 6 1HD1 LEU 6 -9.802 7.862 -9.754 52 HD12 LEU 6 2HD1 LEU 6 -8.325 8.110 -10.685 53 HD13 LEU 6 3HD1 LEU 6 -8.332 8.407 -8.946 54 HD21 LEU 6 1HD2 LEU 6 -8.120 5.091 -7.762 55 HD22 LEU 6 2HD2 LEU 6 -8.588 6.753 -7.405 56 HD23 LEU 6 3HD2 LEU 6 -6.926 6.385 -7.871 57 H PHE 7 H PHE 7 -7.103 5.214 -11.957 58 HA PHE 7 HA PHE 7 -8.493 5.114 -14.553 59 HB2 PHE 7 2HB PHE 7 -7.939 7.418 -13.278 60 HB3 PHE 7 3HB PHE 7 -6.416 7.191 -14.133 61 HD1 PHE 7 HD1 PHE 7 -6.214 7.883 -16.329 62 HD2 PHE 7 HD2 PHE 7 -10.093 7.254 -14.692 63 HE1 PHE 7 HE1 PHE 7 -7.223 8.808 -18.374 64 HE2 PHE 7 HE2 PHE 7 -11.108 8.176 -16.735 65 HZ PHE 7 HZ PHE 7 -9.673 8.954 -18.579 66 H ALA 8 H ALA 8 -5.874 4.074 -12.761 67 HA ALA 8 HA ALA 8 -3.863 4.023 -14.783 68 HB1 ALA 8 1HB ALA 8 -2.524 3.254 -13.162 69 HB2 ALA 8 2HB ALA 8 -3.869 3.632 -12.085 70 HB3 ALA 8 3HB ALA 8 -3.659 1.989 -12.690 71 H LYS 9 H LYS 9 -6.503 1.939 -13.897 72 HA LYS 9 HA LYS 9 -5.525 -0.260 -15.527 73 HB2 LYS 9 2HB LYS 9 -7.605 -1.399 -14.810 74 HB3 LYS 9 3HB LYS 9 -6.635 -0.834 -13.455 75 HG2 LYS 9 2HG LYS 9 -8.329 0.355 -12.673 76 HG3 LYS 9 3HG LYS 9 -8.512 1.193 -14.216 77 HD2 LYS 9 2HD LYS 9 -10.577 0.149 -13.896 78 HD3 LYS 9 3HD LYS 9 -9.723 -0.935 -14.997 79 HE2 LYS 9 2HE LYS 9 -9.315 -1.483 -12.138 80 HE3 LYS 9 3HE LYS 9 -10.965 -1.717 -12.713 81 HZ1 LYS 9 1HZ LYS 9 -9.455 -2.902 -14.630 82 HZ2 LYS 9 2HZ LYS 9 -10.250 -3.705 -13.372 83 HZ3 LYS 9 3HZ LYS 9 -8.618 -3.290 -13.212 84 H ILE 10 H ILE 10 -7.910 2.301 -15.652 85 HA ILE 10 HA ILE 10 -9.271 1.319 -17.963 86 HB ILE 10 HB ILE 10 -10.539 3.268 -17.923 87 HG12 ILE 10 2HG1 ILE 10 -9.540 5.245 -16.413 88 HG13 ILE 10 3HG1 ILE 10 -8.027 4.517 -16.939 89 HG21 ILE 10 1HG2 ILE 10 -10.210 1.889 -15.622 90 HG22 ILE 10 2HG2 ILE 10 -9.856 3.527 -15.075 91 HG23 ILE 10 3HG2 ILE 10 -11.402 3.170 -15.846 92 HD11 ILE 10 1HD1 ILE 10 -8.257 5.917 -18.670 93 HD12 ILE 10 2HD1 ILE 10 -9.347 4.675 -19.287 94 HD13 ILE 10 3HD1 ILE 10 -9.998 6.080 -18.443 95 H THR 11 H THR 11 -6.441 3.250 -17.412 96 HA THR 11 HA THR 11 -6.327 4.241 -20.130 97 HB THR 11 HB THR 11 -4.053 5.095 -19.408 98 HG1 THR 11 HG1 THR 11 -3.635 5.012 -17.164 99 HG21 THR 11 1HG2 THR 11 -4.984 6.872 -17.992 100 HG22 THR 11 2HG2 THR 11 -6.446 5.914 -17.757 101 HG23 THR 11 3HG2 THR 11 -6.036 6.518 -19.362 102 H LYS 12 H LYS 12 -5.533 3.123 -21.774 103 HA LYS 12 HA LYS 12 -3.554 1.010 -21.218 104 HB2 LYS 12 2HB LYS 12 -4.464 -0.175 -23.205 105 HB3 LYS 12 3HB LYS 12 -5.629 -0.015 -21.898 106 HG2 LYS 12 2HG LYS 12 -7.024 0.701 -23.481 107 HG3 LYS 12 3HG LYS 12 -6.133 2.221 -23.380 108 HD2 LYS 12 2HD LYS 12 -4.858 1.736 -25.274 109 HD3 LYS 12 3HD LYS 12 -5.217 0.010 -25.188 110 HE2 LYS 12 2HE LYS 12 -7.496 0.404 -25.863 111 HE3 LYS 12 3HE LYS 12 -7.252 2.149 -25.800 112 HZ1 LYS 12 1HZ LYS 12 -5.309 1.037 -27.484 113 HZ2 LYS 12 2HZ LYS 12 -6.564 2.096 -27.887 114 HZ3 LYS 12 3HZ LYS 12 -6.814 0.425 -27.953 115 H LYS 13 H LYS 13 -3.433 3.955 -22.087 116 HA LYS 13 HA LYS 13 -1.952 3.595 -24.600 117 HB2 LYS 13 2HB LYS 13 -2.329 6.342 -23.668 118 HB3 LYS 13 3HB LYS 13 -2.662 5.632 -25.243 119 HG2 LYS 13 2HG LYS 13 -4.730 4.610 -24.151 120 HG3 LYS 13 3HG LYS 13 -4.433 5.739 -22.827 121 HD2 LYS 13 2HD LYS 13 -5.894 6.935 -24.162 122 HD3 LYS 13 3HD LYS 13 -4.325 7.518 -24.723 123 HE2 LYS 13 2HE LYS 13 -4.452 5.734 -26.512 124 HE3 LYS 13 3HE LYS 13 -6.132 5.497 -26.032 125 HZ1 LYS 13 1HZ LYS 13 -6.610 7.120 -27.448 126 HZ2 LYS 13 2HZ LYS 13 -4.987 7.551 -27.647 127 HZ3 LYS 13 3HZ LYS 13 -5.883 8.200 -26.367 128 H ASN 14 H ASN 14 -1.659 5.855 -21.860 129 HA ASN 14 HA ASN 14 1.121 6.162 -22.117 130 HB2 ASN 14 2HB ASN 14 -0.961 7.127 -20.382 131 HB3 ASN 14 3HB ASN 14 0.441 6.665 -19.421 132 HD21 ASN 14 1HD2 ASN 14 2.242 7.895 -19.474 133 HD22 ASN 14 2HD2 ASN 14 2.389 9.360 -20.380 134 H MET 15 H MET 15 -0.748 3.652 -20.748 135 HA MET 15 HA MET 15 0.942 2.695 -18.739 136 HB2 MET 15 2HB MET 15 -1.408 1.929 -19.238 137 HB3 MET 15 3HB MET 15 -0.748 0.989 -20.570 138 HG2 MET 15 2HG MET 15 -0.438 -0.674 -19.151 139 HG3 MET 15 3HG MET 15 0.799 0.300 -18.360 140 HE1 MET 15 1HE MET 15 -2.166 -1.827 -17.604 141 HE2 MET 15 2HE MET 15 -0.567 -1.939 -16.868 142 HE3 MET 15 3HE MET 15 -1.971 -1.552 -15.872 143 H ALA 16 H ALA 16 0.750 1.708 -22.160 144 HA ALA 16 HA ALA 16 3.084 0.056 -21.973 145 HB1 ALA 16 1HB ALA 16 2.719 0.435 -24.645 146 HB2 ALA 16 2HB ALA 16 1.911 -0.800 -23.679 147 HB3 ALA 16 3HB ALA 16 1.097 0.728 -24.016 148 H HIS 17 H HIS 17 2.784 3.304 -21.901 149 HA HIS 17 HA HIS 17 5.197 3.811 -23.500 150 HB2 HIS 17 2HB HIS 17 2.774 5.293 -23.053 151 HB3 HIS 17 3HB HIS 17 4.155 6.247 -22.518 152 HD1 HIS 17 HD1 HIS 17 3.348 4.139 -25.594 153 HD2 HIS 17 HD2 HIS 17 5.110 7.750 -24.537 154 HE1 HIS 17 HE1 HIS 17 4.035 5.211 -27.762 155 H ILE 18 H ILE 18 4.058 3.518 -20.301 156 HA ILE 18 HA ILE 18 5.639 5.256 -18.847 157 HB ILE 18 HB ILE 18 5.423 3.768 -16.972 158 HG12 ILE 18 2HG1 ILE 18 4.896 1.702 -19.090 159 HG13 ILE 18 3HG1 ILE 18 6.044 1.647 -17.756 160 HG21 ILE 18 1HG2 ILE 18 3.099 3.688 -16.811 161 HG22 ILE 18 2HG2 ILE 18 3.390 4.948 -18.009 162 HG23 ILE 18 3HG2 ILE 18 2.898 3.336 -18.527 163 HD11 ILE 18 1HD1 ILE 18 4.105 1.506 -16.199 164 HD12 ILE 18 2HD1 ILE 18 3.058 1.352 -17.610 165 HD13 ILE 18 3HD1 ILE 18 4.282 0.126 -17.282 166 H ARG 19 H ARG 19 6.483 2.112 -20.218 167 HA ARG 19 HA ARG 19 8.979 1.772 -19.019 168 HB2 ARG 19 2HB ARG 19 9.500 0.384 -21.071 169 HB3 ARG 19 3HB ARG 19 8.046 -0.067 -20.191 170 HG2 ARG 19 2HG ARG 19 6.636 0.820 -21.833 171 HG3 ARG 19 3HG ARG 19 7.940 1.755 -22.568 172 HD2 ARG 19 2HD ARG 19 8.339 -1.165 -22.474 173 HD3 ARG 19 3HD ARG 19 7.047 -0.599 -23.532 174 HE ARG 19 HE ARG 19 9.135 0.990 -24.194 175 HH11 ARG 19 1HH1 ARG 19 8.731 -2.458 -23.939 176 HH12 ARG 19 2HH1 ARG 19 9.895 -2.817 -25.171 177 HH21 ARG 19 1HH2 ARG 19 10.671 0.531 -25.816 178 HH22 ARG 19 2HH2 ARG 19 10.999 -1.116 -26.237
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