NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9925 | 1p0j | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 10.925 -7.483 -7.707 2 2H ALA 1 HT2 ALA 1 10.046 -8.877 -8.185 3 3H ALA 1 HT3 ALA 1 11.659 -8.649 -8.726 4 HA ALA 1 HA ALA 1 11.935 -10.145 -7.087 5 1HB ALA 1 HB1 ALA 1 12.093 -7.605 -5.490 6 2HB ALA 1 HB2 ALA 1 13.227 -7.976 -6.788 7 3HB ALA 1 HB3 ALA 1 13.117 -9.037 -5.384 8 H LYS 2 HN LYS 2 11.658 -10.104 -4.389 9 HA LYS 2 HA LYS 2 8.767 -10.479 -4.083 10 1HB LYS 2 HB2 LYS 2 11.000 -12.032 -3.340 11 2HB LYS 2 HB1 LYS 2 10.302 -11.436 -1.840 12 1HG LYS 2 HG2 LYS 2 8.125 -12.282 -3.358 13 2HG LYS 2 HG1 LYS 2 9.368 -13.508 -3.611 14 1HD LYS 2 HD2 LYS 2 9.589 -13.178 -0.953 15 2HD LYS 2 HD1 LYS 2 7.882 -12.781 -1.162 16 1HE LYS 2 HE2 LYS 2 7.652 -14.929 -2.451 17 2HE LYS 2 HE1 LYS 2 9.291 -15.327 -1.937 18 1HZ LYS 2 HZ1 LYS 2 7.161 -16.063 -0.577 19 2HZ LYS 2 HZ2 LYS 2 7.402 -14.553 0.146 20 3HZ LYS 2 HZ3 LYS 2 8.634 -15.712 0.178 21 H LYS 3 HN LYS 3 10.083 -7.853 -3.929 22 HA LYS 3 HA LYS 3 9.519 -7.187 -1.106 23 1HB LYS 3 HB2 LYS 3 11.848 -6.708 -2.072 24 2HB LYS 3 HB1 LYS 3 11.071 -5.460 -3.037 25 1HG LYS 3 HG2 LYS 3 12.096 -4.568 -0.999 26 2HG LYS 3 HG1 LYS 3 10.351 -4.310 -1.038 27 1HD LYS 3 HD2 LYS 3 9.950 -5.859 0.625 28 2HD LYS 3 HD1 LYS 3 11.442 -6.744 0.302 29 1HE LYS 3 HE2 LYS 3 11.826 -3.970 1.179 30 2HE LYS 3 HE1 LYS 3 11.070 -5.021 2.376 31 1HZ LYS 3 HZ1 LYS 3 12.942 -6.215 2.641 32 2HZ LYS 3 HZ2 LYS 3 13.697 -4.819 2.056 33 3HZ LYS 3 HZ3 LYS 3 13.390 -6.113 1.012 34 H VAL 4 HN VAL 4 7.478 -7.568 -2.969 35 HA VAL 4 HA VAL 4 6.512 -5.063 -3.955 36 HB VAL 4 HB VAL 4 4.876 -7.505 -3.222 37 1HG1 VAL 4 HG11 VAL 4 3.356 -6.583 -5.000 38 2HG1 VAL 4 HG12 VAL 4 4.334 -5.115 -4.971 39 3HG1 VAL 4 HG13 VAL 4 3.460 -5.621 -3.525 40 1HG2 VAL 4 HG21 VAL 4 6.501 -8.278 -4.755 41 2HG2 VAL 4 HG22 VAL 4 6.363 -6.827 -5.748 42 3HG2 VAL 4 HG23 VAL 4 5.040 -7.992 -5.700 43 H PHE 5 HN PHE 5 6.978 -6.393 -0.963 44 HA PHE 5 HA PHE 5 4.955 -5.765 0.696 45 1HB PHE 5 HB2 PHE 5 7.111 -6.867 1.279 46 2HB PHE 5 HB1 PHE 5 7.891 -5.295 1.210 47 HD1 PHE 5 HD1 PHE 5 5.373 -7.296 3.029 48 HD2 PHE 5 HD2 PHE 5 7.807 -3.806 3.040 49 HE1 PHE 5 HE1 PHE 5 4.822 -6.925 5.398 50 HE2 PHE 5 HE2 PHE 5 7.261 -3.428 5.409 51 HZ PHE 5 HZ PHE 5 5.767 -4.988 6.591 52 H LYS 6 HN LYS 6 7.021 -3.589 -0.933 53 HA LYS 6 HA LYS 6 6.517 -1.287 0.658 54 1HB LYS 6 HB2 LYS 6 8.363 -1.756 -1.172 55 2HB LYS 6 HB1 LYS 6 7.163 -1.066 -2.256 56 1HG LYS 6 HG2 LYS 6 7.521 1.015 -1.525 57 2HG LYS 6 HG1 LYS 6 7.614 0.509 0.163 58 1HD LYS 6 HD2 LYS 6 9.915 -0.474 -0.518 59 2HD LYS 6 HD1 LYS 6 9.777 0.607 -1.907 60 1HE LYS 6 HE2 LYS 6 9.188 2.365 -0.023 61 2HE LYS 6 HE1 LYS 6 10.109 1.245 0.980 62 1HZ LYS 6 HZ1 LYS 6 11.210 2.197 -1.582 63 2HZ LYS 6 HZ2 LYS 6 12.029 1.616 -0.222 64 3HZ LYS 6 HZ3 LYS 6 11.333 3.156 -0.194 65 H ARG 7 HN ARG 7 5.022 -2.686 -2.209 66 HA ARG 7 HA ARG 7 3.247 -0.583 -2.780 67 1HB ARG 7 HB2 ARG 7 3.476 -3.439 -3.488 68 2HB ARG 7 HB1 ARG 7 1.846 -2.787 -3.558 69 1HG ARG 7 HG2 ARG 7 3.126 -0.856 -4.884 70 2HG ARG 7 HG1 ARG 7 4.196 -2.211 -5.249 71 1HD ARG 7 HD2 ARG 7 2.464 -3.438 -6.269 72 2HD ARG 7 HD1 ARG 7 1.217 -2.389 -5.595 73 HE ARG 7 HE ARG 7 1.530 -0.953 -7.348 74 1HH1 ARG 7 HH11 ARG 7 4.247 -3.136 -7.187 75 2HH1 ARG 7 HH12 ARG 7 4.928 -2.598 -8.686 76 1HH2 ARG 7 HH21 ARG 7 2.423 -0.245 -9.319 77 2HH2 ARG 7 HH22 ARG 7 3.893 -0.956 -9.896 78 H LEU 8 HN LEU 8 3.219 -3.133 -0.403 79 HA LEU 8 HA LEU 8 0.500 -3.087 0.294 80 1HB LEU 8 HB2 LEU 8 2.658 -4.529 1.090 81 2HB LEU 8 HB1 LEU 8 2.442 -3.484 2.481 82 HG LEU 8 HG LEU 8 -0.110 -4.360 2.079 83 1HD1 LEU 8 HD11 LEU 8 0.180 -6.869 1.857 84 2HD1 LEU 8 HD12 LEU 8 1.780 -6.523 1.200 85 3HD1 LEU 8 HD13 LEU 8 0.341 -5.922 0.378 86 1HD2 LEU 8 HD21 LEU 8 0.518 -4.492 4.247 87 2HD2 LEU 8 HD22 LEU 8 2.131 -5.090 3.858 88 3HD2 LEU 8 HD23 LEU 8 0.753 -6.191 3.836 89 H GLU 9 HN GLU 9 3.257 -1.164 1.426 90 HA GLU 9 HA GLU 9 1.829 0.252 3.420 91 1HB GLU 9 HB2 GLU 9 4.436 0.087 2.801 92 2HB GLU 9 HB1 GLU 9 4.064 1.606 1.997 93 1HG GLU 9 HG2 GLU 9 3.565 2.686 3.974 94 2HG GLU 9 HG1 GLU 9 3.240 1.181 4.833 95 H LYS 10 HN LYS 10 2.296 0.724 -0.020 96 HA LYS 10 HA LYS 10 1.229 3.340 -0.173 97 1HB LYS 10 HB2 LYS 10 2.499 1.789 -1.944 98 2HB LYS 10 HB1 LYS 10 0.848 1.452 -2.445 99 1HG LYS 10 HG2 LYS 10 1.313 3.224 -3.792 100 2HG LYS 10 HG1 LYS 10 0.654 4.078 -2.395 101 1HD LYS 10 HD2 LYS 10 2.550 5.279 -2.506 102 2HD LYS 10 HD1 LYS 10 3.285 3.880 -1.720 103 1HE LYS 10 HE2 LYS 10 4.419 3.282 -3.568 104 2HE LYS 10 HE1 LYS 10 3.075 3.674 -4.639 105 1HZ LYS 10 HZ1 LYS 10 4.658 5.230 -5.204 106 2HZ LYS 10 HZ2 LYS 10 5.199 5.438 -3.615 107 3HZ LYS 10 HZ3 LYS 10 3.716 6.094 -4.095 108 H LEU 11 HN LEU 11 -0.172 0.148 -0.045 109 HA LEU 11 HA LEU 11 -2.767 0.772 -0.933 110 1HB LEU 11 HB2 LEU 11 -1.623 -1.522 -0.408 111 2HB LEU 11 HB1 LEU 11 -2.264 -1.265 1.203 112 HG LEU 11 HG LEU 11 -3.791 -2.661 -0.004 113 1HD1 LEU 11 HD11 LEU 11 -5.753 -1.555 0.464 114 2HD1 LEU 11 HD12 LEU 11 -5.152 -0.010 -0.139 115 3HD1 LEU 11 HD13 LEU 11 -4.593 -0.628 1.415 116 1HD2 LEU 11 HD21 LEU 11 -3.297 -0.711 -2.166 117 2HD2 LEU 11 HD22 LEU 11 -4.936 -1.350 -2.041 118 3HD2 LEU 11 HD23 LEU 11 -3.574 -2.451 -2.244 119 H PHE 12 HN PHE 12 -1.188 1.048 2.204 120 HA PHE 12 HA PHE 12 -3.483 1.572 3.746 121 1HB PHE 12 HB2 PHE 12 -0.923 1.189 4.390 122 2HB PHE 12 HB1 PHE 12 -0.925 2.949 4.420 123 HD1 PHE 12 HD1 PHE 12 -3.026 3.967 5.728 124 HD2 PHE 12 HD2 PHE 12 -1.351 0.107 6.361 125 HE1 PHE 12 HE1 PHE 12 -3.981 3.929 7.995 126 HE2 PHE 12 HE2 PHE 12 -2.303 0.062 8.629 127 HZ PHE 12 HZ PHE 12 -3.620 1.974 9.449 128 H SER 13 HN SER 13 -1.401 3.658 1.815 129 HA SER 13 HA SER 13 -2.471 6.127 2.644 130 1HB SER 13 HB2 SER 13 -0.858 5.161 0.346 131 2HB SER 13 HB1 SER 13 -1.730 6.675 0.106 132 HG SER 13 HG SER 13 -0.517 7.632 1.585 133 H LYS 14 HN LYS 14 -3.542 3.726 0.346 134 HA LYS 14 HA LYS 14 -5.440 5.289 -1.033 135 1HB LYS 14 HB2 LYS 14 -5.495 2.316 -0.473 136 2HB LYS 14 HB1 LYS 14 -6.436 3.149 -1.702 137 1HG LYS 14 HG2 LYS 14 -4.197 3.893 -2.669 138 2HG LYS 14 HG1 LYS 14 -3.479 2.670 -1.619 139 1HD LYS 14 HD2 LYS 14 -4.729 0.928 -2.686 140 2HD LYS 14 HD1 LYS 14 -5.675 2.100 -3.605 141 1HE LYS 14 HE2 LYS 14 -3.989 2.507 -5.086 142 2HE LYS 14 HE1 LYS 14 -2.724 2.176 -3.903 143 1HZ LYS 14 HZ1 LYS 14 -3.775 -0.237 -4.132 144 2HZ LYS 14 HZ2 LYS 14 -2.528 0.312 -5.135 145 3HZ LYS 14 HZ3 LYS 14 -4.129 0.348 -5.681 146 H ILE 15 HN ILE 15 -5.506 3.585 2.025 147 HA ILE 15 HA ILE 15 -8.295 3.611 2.445 148 HB ILE 15 HB ILE 15 -6.143 3.756 4.558 149 1HG1 ILE 15 HG12 ILE 15 -5.908 1.901 2.814 150 2HG1 ILE 15 HG11 ILE 15 -5.966 1.401 4.497 151 1HG2 ILE 15 HG21 ILE 15 -8.927 2.611 4.703 152 2HG2 ILE 15 HG22 ILE 15 -8.457 4.196 5.317 153 3HG2 ILE 15 HG23 ILE 15 -7.761 2.735 6.020 154 1HD1 ILE 15 HD11 ILE 15 -8.424 1.431 2.788 155 2HD1 ILE 15 HD12 ILE 15 -8.128 0.550 4.287 156 3HD1 ILE 15 HD13 ILE 15 -7.313 0.061 2.801 157 H GLN 16 HN GLN 16 -5.771 5.990 2.998 158 HA GLN 16 HA GLN 16 -7.309 7.771 4.574 159 1HB GLN 16 HB2 GLN 16 -4.791 8.006 2.969 160 2HB GLN 16 HB1 GLN 16 -5.560 9.463 3.584 161 1HG GLN 16 HG2 GLN 16 -5.516 7.861 5.795 162 2HG GLN 16 HG1 GLN 16 -4.018 7.418 4.979 163 1HE2 GLN 16 HE21 GLN 16 -2.485 9.077 4.531 164 2HE2 GLN 16 HE22 GLN 16 -2.438 10.510 5.496 165 H ASN 17 HN ASN 17 -6.982 7.253 1.137 166 HA ASN 17 HA ASN 17 -8.231 9.686 0.327 167 1HB ASN 17 HB2 ASN 17 -6.721 8.206 -1.091 168 2HB ASN 17 HB1 ASN 17 -8.103 7.130 -1.275 169 1HD2 ASN 17 HD21 ASN 17 -7.756 7.615 -3.560 170 2HD2 ASN 17 HD22 ASN 17 -8.492 9.028 -4.228 171 H TRP 18 HN TRP 18 -9.353 6.501 1.214 172 HA TRP 18 HA TRP 18 -12.029 6.923 0.228 173 1HB TRP 18 HB2 TRP 18 -10.551 4.738 1.571 174 2HB TRP 18 HB1 TRP 18 -12.281 4.803 1.892 175 HD1 TRP 18 HD1 TRP 18 -10.267 2.853 -0.146 176 HE1 TRP 18 HE1 TRP 18 -11.319 2.272 -2.422 177 HE3 TRP 18 HE3 TRP 18 -13.900 6.445 -0.301 178 HZ2 TRP 18 HZ2 TRP 18 -13.413 3.213 -4.066 179 HZ3 TRP 18 HZ3 TRP 18 -15.386 6.537 -2.260 180 HH2 TRP 18 HH2 TRP 18 -15.145 4.954 -4.103 181 H LYS 19 HN LYS 19 -10.303 7.338 3.230 182 HA LYS 19 HA LYS 19 -12.669 7.661 4.834 183 1HB LYS 19 HB2 LYS 19 -10.181 6.977 5.486 184 2HB LYS 19 HB1 LYS 19 -10.031 8.711 5.732 185 1HG LYS 19 HG2 LYS 19 -12.115 8.513 7.187 186 2HG LYS 19 HG1 LYS 19 -11.829 6.772 7.143 187 1HD LYS 19 HD2 LYS 19 -10.043 6.904 8.515 188 2HD LYS 19 HD1 LYS 19 -9.476 8.413 7.796 189 1HE LYS 19 HE2 LYS 19 -10.532 9.676 9.322 190 2HE LYS 19 HE1 LYS 19 -11.977 8.666 9.297 191 1HZ LYS 19 HZ1 LYS 19 -10.340 7.034 10.550 192 2HZ LYS 19 HZ2 LYS 19 -11.244 8.203 11.373 193 3HZ LYS 19 HZ3 LYS 19 -9.619 8.495 11.007 194 1HN NH2 20 NH1 NH2 20 -10.073 9.881 3.848 195 2HN NH2 20 NH2 NH2 20 -11.041 11.312 3.885 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 9.501 -7.510 -7.110 2 2H ALA 1 HT2 ALA 1 11.118 -7.871 -6.662 3 3H ALA 1 HT3 ALA 1 10.004 -7.309 -5.484 4 HA ALA 1 HA ALA 1 8.653 -9.334 -6.115 5 1HB ALA 1 HB1 ALA 1 9.998 -11.218 -6.891 6 2HB ALA 1 HB2 ALA 1 11.394 -10.154 -7.068 7 3HB ALA 1 HB3 ALA 1 9.971 -9.918 -8.083 8 H LYS 2 HN LYS 2 11.791 -8.504 -4.804 9 HA LYS 2 HA LYS 2 11.484 -10.416 -2.621 10 1HB LYS 2 HB2 LYS 2 13.749 -9.777 -1.987 11 2HB LYS 2 HB1 LYS 2 13.684 -10.202 -3.692 12 1HG LYS 2 HG2 LYS 2 13.525 -7.751 -4.199 13 2HG LYS 2 HG1 LYS 2 13.854 -7.450 -2.492 14 1HD LYS 2 HD2 LYS 2 15.746 -9.320 -3.653 15 2HD LYS 2 HD1 LYS 2 15.731 -7.777 -4.509 16 1HE LYS 2 HE2 LYS 2 15.693 -7.517 -1.596 17 2HE LYS 2 HE1 LYS 2 17.136 -8.315 -2.220 18 1HZ LYS 2 HZ1 LYS 2 16.307 -5.909 -3.622 19 2HZ LYS 2 HZ2 LYS 2 17.857 -6.437 -3.200 20 3HZ LYS 2 HZ3 LYS 2 16.880 -5.679 -2.046 21 H LYS 3 HN LYS 3 10.049 -7.650 -3.137 22 HA LYS 3 HA LYS 3 9.509 -7.072 -0.443 23 1HB LYS 3 HB2 LYS 3 11.892 -6.169 -0.663 24 2HB LYS 3 HB1 LYS 3 11.224 -4.941 -1.729 25 1HG LYS 3 HG2 LYS 3 11.194 -3.825 0.260 26 2HG LYS 3 HG1 LYS 3 9.582 -4.544 0.279 27 1HD LYS 3 HD2 LYS 3 10.125 -6.054 1.910 28 2HD LYS 3 HD1 LYS 3 11.827 -6.108 1.444 29 1HE LYS 3 HE2 LYS 3 12.370 -4.281 2.699 30 2HE LYS 3 HE1 LYS 3 10.773 -3.554 2.528 31 1HZ LYS 3 HZ1 LYS 3 10.783 -4.207 4.716 32 2HZ LYS 3 HZ2 LYS 3 11.680 -5.611 4.425 33 3HZ LYS 3 HZ3 LYS 3 10.048 -5.546 3.987 34 H VAL 4 HN VAL 4 8.068 -7.498 -2.779 35 HA VAL 4 HA VAL 4 7.036 -5.084 -3.874 36 HB VAL 4 HB VAL 4 5.486 -7.659 -3.537 37 1HG1 VAL 4 HG11 VAL 4 3.993 -6.830 -5.009 38 2HG1 VAL 4 HG12 VAL 4 5.227 -6.007 -5.962 39 3HG1 VAL 4 HG13 VAL 4 4.631 -5.276 -4.472 40 1HG2 VAL 4 HG21 VAL 4 7.740 -7.003 -5.359 41 2HG2 VAL 4 HG22 VAL 4 6.390 -7.932 -6.013 42 3HG2 VAL 4 HG23 VAL 4 7.289 -8.541 -4.623 43 H PHE 5 HN PHE 5 6.895 -6.587 -0.902 44 HA PHE 5 HA PHE 5 4.491 -6.096 0.243 45 1HB PHE 5 HB2 PHE 5 6.541 -7.212 1.220 46 2HB PHE 5 HB1 PHE 5 7.166 -5.604 1.550 47 HD1 PHE 5 HD1 PHE 5 6.390 -4.336 3.403 48 HD2 PHE 5 HD2 PHE 5 4.509 -8.016 2.390 49 HE1 PHE 5 HE1 PHE 5 5.197 -4.314 5.554 50 HE2 PHE 5 HE2 PHE 5 3.310 -8.000 4.539 51 HZ PHE 5 HZ PHE 5 3.654 -6.147 6.125 52 H LYS 6 HN LYS 6 6.871 -3.844 -0.704 53 HA LYS 6 HA LYS 6 6.045 -1.630 0.854 54 1HB LYS 6 HB2 LYS 6 8.205 -2.042 -0.633 55 2HB LYS 6 HB1 LYS 6 7.238 -1.225 -1.853 56 1HG LYS 6 HG2 LYS 6 8.578 0.417 -0.799 57 2HG LYS 6 HG1 LYS 6 6.925 0.650 -0.225 58 1HD LYS 6 HD2 LYS 6 7.486 0.201 1.898 59 2HD LYS 6 HD1 LYS 6 8.476 -1.185 1.434 60 1HE LYS 6 HE2 LYS 6 10.356 0.178 1.007 61 2HE LYS 6 HE1 LYS 6 9.390 1.653 1.046 62 1HZ LYS 6 HZ1 LYS 6 10.615 1.465 3.075 63 2HZ LYS 6 HZ2 LYS 6 10.042 -0.103 3.349 64 3HZ LYS 6 HZ3 LYS 6 8.979 1.210 3.425 65 H ARG 7 HN ARG 7 5.096 -2.898 -2.287 66 HA ARG 7 HA ARG 7 3.519 -0.725 -3.123 67 1HB ARG 7 HB2 ARG 7 3.578 -3.644 -3.790 68 2HB ARG 7 HB1 ARG 7 2.248 -2.652 -4.374 69 1HG ARG 7 HG2 ARG 7 3.689 -2.512 -6.139 70 2HG ARG 7 HG1 ARG 7 4.182 -1.095 -5.209 71 1HD ARG 7 HD2 ARG 7 5.875 -2.680 -4.095 72 2HD ARG 7 HD1 ARG 7 5.541 -3.758 -5.450 73 HE ARG 7 HE ARG 7 7.057 -1.314 -5.506 74 1HH1 ARG 7 HH11 ARG 7 5.194 -3.574 -7.403 75 2HH1 ARG 7 HH12 ARG 7 5.955 -3.141 -8.897 76 1HH2 ARG 7 HH21 ARG 7 8.060 -0.743 -7.469 77 2HH2 ARG 7 HH22 ARG 7 7.584 -1.535 -8.934 78 H LEU 8 HN LEU 8 2.895 -3.429 -0.978 79 HA LEU 8 HA LEU 8 0.096 -3.184 -0.814 80 1HB LEU 8 HB2 LEU 8 1.716 -5.016 0.104 81 2HB LEU 8 HB1 LEU 8 1.767 -4.004 1.535 82 HG LEU 8 HG LEU 8 -0.929 -4.683 0.520 83 1HD1 LEU 8 HD11 LEU 8 0.339 -6.766 2.193 84 2HD1 LEU 8 HD12 LEU 8 0.752 -6.754 0.479 85 3HD1 LEU 8 HD13 LEU 8 -0.933 -6.901 0.979 86 1HD2 LEU 8 HD21 LEU 8 -0.903 -3.423 2.485 87 2HD2 LEU 8 HD22 LEU 8 0.426 -4.354 3.175 88 3HD2 LEU 8 HD23 LEU 8 -1.178 -5.074 3.042 89 H GLU 9 HN GLU 9 2.723 -1.618 0.955 90 HA GLU 9 HA GLU 9 1.111 -0.275 2.842 91 1HB GLU 9 HB2 GLU 9 3.675 -0.583 2.812 92 2HB GLU 9 HB1 GLU 9 3.697 0.826 1.760 93 1HG GLU 9 HG2 GLU 9 2.349 1.982 3.606 94 2HG GLU 9 HG1 GLU 9 2.858 0.637 4.627 95 H LYS 10 HN LYS 10 2.010 0.410 -0.461 96 HA LYS 10 HA LYS 10 1.205 3.118 -0.533 97 1HB LYS 10 HB2 LYS 10 2.622 2.031 -2.264 98 2HB LYS 10 HB1 LYS 10 1.223 1.107 -2.793 99 1HG LYS 10 HG2 LYS 10 0.488 3.843 -2.769 100 2HG LYS 10 HG1 LYS 10 2.046 3.706 -3.585 101 1HD LYS 10 HD2 LYS 10 0.519 1.578 -4.560 102 2HD LYS 10 HD1 LYS 10 -0.586 2.952 -4.506 103 1HE LYS 10 HE2 LYS 10 2.095 3.520 -5.584 104 2HE LYS 10 HE1 LYS 10 1.103 2.432 -6.555 105 1HZ LYS 10 HZ1 LYS 10 -0.510 4.053 -6.863 106 2HZ LYS 10 HZ2 LYS 10 0.931 4.931 -6.982 107 3HZ LYS 10 HZ3 LYS 10 0.020 4.992 -5.558 108 H LEU 11 HN LEU 11 -0.483 0.071 -1.165 109 HA LEU 11 HA LEU 11 -2.907 1.177 -2.059 110 1HB LEU 11 HB2 LEU 11 -1.983 -1.431 -1.055 111 2HB LEU 11 HB1 LEU 11 -3.686 -1.113 -0.782 112 HG LEU 11 HG LEU 11 -3.534 -0.432 -3.377 113 1HD1 LEU 11 HD11 LEU 11 -1.441 -0.922 -4.076 114 2HD1 LEU 11 HD12 LEU 11 -2.128 -2.539 -4.236 115 3HD1 LEU 11 HD13 LEU 11 -1.179 -2.121 -2.810 116 1HD2 LEU 11 HD21 LEU 11 -4.165 -2.931 -1.928 117 2HD2 LEU 11 HD22 LEU 11 -4.017 -3.045 -3.682 118 3HD2 LEU 11 HD23 LEU 11 -5.181 -1.931 -2.965 119 H PHE 12 HN PHE 12 -1.586 0.661 1.141 120 HA PHE 12 HA PHE 12 -3.960 1.057 2.616 121 1HB PHE 12 HB2 PHE 12 -1.912 0.110 3.610 122 2HB PHE 12 HB1 PHE 12 -1.099 1.658 3.409 123 HD1 PHE 12 HD1 PHE 12 -4.115 0.170 5.009 124 HD2 PHE 12 HD2 PHE 12 -1.082 3.150 5.162 125 HE1 PHE 12 HE1 PHE 12 -4.927 0.876 7.221 126 HE2 PHE 12 HE2 PHE 12 -1.887 3.862 7.375 127 HZ PHE 12 HZ PHE 12 -3.812 2.724 8.408 128 H SER 13 HN SER 13 -1.673 3.234 1.122 129 HA SER 13 HA SER 13 -2.420 5.606 2.439 130 1HB SER 13 HB2 SER 13 -0.380 5.438 1.076 131 2HB SER 13 HB1 SER 13 -1.361 5.244 -0.377 132 HG SER 13 HG SER 13 -1.831 7.321 -0.357 133 H LYS 14 HN LYS 14 -3.762 3.884 -0.315 134 HA LYS 14 HA LYS 14 -5.497 5.907 -1.228 135 1HB LYS 14 HB2 LYS 14 -5.344 2.945 -1.527 136 2HB LYS 14 HB1 LYS 14 -6.859 3.731 -1.949 137 1HG LYS 14 HG2 LYS 14 -4.355 4.870 -3.057 138 2HG LYS 14 HG1 LYS 14 -4.939 3.342 -3.719 139 1HD LYS 14 HD2 LYS 14 -6.164 4.664 -5.067 140 2HD LYS 14 HD1 LYS 14 -7.230 4.794 -3.666 141 1HE LYS 14 HE2 LYS 14 -5.557 6.753 -3.045 142 2HE LYS 14 HE1 LYS 14 -5.309 6.764 -4.791 143 1HZ LYS 14 HZ1 LYS 14 -7.371 7.552 -5.168 144 2HZ LYS 14 HZ2 LYS 14 -7.233 8.131 -3.585 145 3HZ LYS 14 HZ3 LYS 14 -8.072 6.695 -3.889 146 H ILE 15 HN ILE 15 -5.747 3.545 1.344 147 HA ILE 15 HA ILE 15 -8.513 3.804 1.846 148 HB ILE 15 HB ILE 15 -6.366 3.172 3.876 149 1HG1 ILE 15 HG12 ILE 15 -7.879 1.313 2.027 150 2HG1 ILE 15 HG11 ILE 15 -6.166 1.703 1.917 151 1HG2 ILE 15 HG21 ILE 15 -8.190 1.913 4.980 152 2HG2 ILE 15 HG22 ILE 15 -9.315 2.558 3.786 153 3HG2 ILE 15 HG23 ILE 15 -8.492 3.649 4.901 154 1HD1 ILE 15 HD11 ILE 15 -5.606 0.312 3.596 155 2HD1 ILE 15 HD12 ILE 15 -7.105 -0.486 3.121 156 3HD1 ILE 15 HD13 ILE 15 -7.091 0.619 4.496 157 H GLN 16 HN GLN 16 -5.708 5.659 2.836 158 HA GLN 16 HA GLN 16 -6.932 7.184 4.864 159 1HB GLN 16 HB2 GLN 16 -4.579 7.716 3.054 160 2HB GLN 16 HB1 GLN 16 -5.094 8.866 4.280 161 1HG GLN 16 HG2 GLN 16 -4.719 7.212 6.017 162 2HG GLN 16 HG1 GLN 16 -4.252 6.024 4.801 163 1HE2 GLN 16 HE21 GLN 16 -3.446 9.447 5.262 164 2HE2 GLN 16 HE22 GLN 16 -1.733 9.219 5.287 165 H ASN 17 HN ASN 17 -6.879 7.455 1.377 166 HA ASN 17 HA ASN 17 -7.866 10.097 1.184 167 1HB ASN 17 HB2 ASN 17 -7.464 7.815 -0.629 168 2HB ASN 17 HB1 ASN 17 -8.795 8.873 -1.087 169 1HD2 ASN 17 HD21 ASN 17 -5.710 8.304 -1.707 170 2HD2 ASN 17 HD22 ASN 17 -5.150 9.894 -2.084 171 H TRP 18 HN TRP 18 -9.382 7.008 1.740 172 HA TRP 18 HA TRP 18 -12.054 7.983 1.238 173 1HB TRP 18 HB2 TRP 18 -10.865 5.389 2.141 174 2HB TRP 18 HB1 TRP 18 -12.578 5.688 2.420 175 HD1 TRP 18 HD1 TRP 18 -10.697 3.846 0.110 176 HE1 TRP 18 HE1 TRP 18 -11.741 3.773 -2.241 177 HE3 TRP 18 HE3 TRP 18 -13.926 7.787 0.533 178 HZ2 TRP 18 HZ2 TRP 18 -13.678 5.199 -3.722 179 HZ3 TRP 18 HZ3 TRP 18 -15.338 8.368 -1.396 180 HH2 TRP 18 HH2 TRP 18 -15.215 7.100 -3.479 181 H LYS 19 HN LYS 19 -10.153 7.037 4.092 182 HA LYS 19 HA LYS 19 -12.241 7.946 5.883 183 1HB LYS 19 HB2 LYS 19 -10.766 7.200 7.670 184 2HB LYS 19 HB1 LYS 19 -10.905 5.954 6.437 185 1HG LYS 19 HG2 LYS 19 -8.742 6.690 5.501 186 2HG LYS 19 HG1 LYS 19 -8.598 7.847 6.826 187 1HD LYS 19 HD2 LYS 19 -8.367 6.162 8.428 188 2HD LYS 19 HD1 LYS 19 -9.032 4.927 7.357 189 1HE LYS 19 HE2 LYS 19 -7.067 4.726 6.155 190 2HE LYS 19 HE1 LYS 19 -6.501 6.331 6.615 191 1HZ LYS 19 HZ1 LYS 19 -6.584 5.143 8.989 192 2HZ LYS 19 HZ2 LYS 19 -5.211 5.141 8.001 193 3HZ LYS 19 HZ3 LYS 19 -6.243 3.801 8.017 194 1HN NH2 20 NH1 NH2 20 -12.359 9.875 6.811 195 2HN NH2 20 NH2 NH2 20 -11.139 11.098 6.769 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 12.549 -6.979 -6.567 2 2H ALA 1 HT2 ALA 1 13.272 -7.840 -5.270 3 3H ALA 1 HT3 ALA 1 11.804 -6.986 -5.023 4 HA ALA 1 HA ALA 1 10.910 -8.473 -6.857 5 1HB ALA 1 HB1 ALA 1 13.387 -9.924 -5.964 6 2HB ALA 1 HB2 ALA 1 12.892 -9.510 -7.605 7 3HB ALA 1 HB3 ALA 1 12.013 -10.746 -6.705 8 H LYS 2 HN LYS 2 12.459 -9.179 -3.732 9 HA LYS 2 HA LYS 2 9.993 -10.478 -2.833 10 1HB LYS 2 HB2 LYS 2 12.628 -11.171 -2.486 11 2HB LYS 2 HB1 LYS 2 12.249 -10.388 -0.958 12 1HG LYS 2 HG2 LYS 2 10.256 -12.329 -1.909 13 2HG LYS 2 HG1 LYS 2 11.829 -12.998 -1.469 14 1HD LYS 2 HD2 LYS 2 10.592 -11.041 0.391 15 2HD LYS 2 HD1 LYS 2 9.884 -12.656 0.312 16 1HE LYS 2 HE2 LYS 2 11.450 -13.028 1.923 17 2HE LYS 2 HE1 LYS 2 12.429 -13.372 0.497 18 1HZ LYS 2 HZ1 LYS 2 13.159 -11.677 2.410 19 2HZ LYS 2 HZ2 LYS 2 12.382 -10.601 1.362 20 3HZ LYS 2 HZ3 LYS 2 13.673 -11.540 0.804 21 H LYS 3 HN LYS 3 10.095 -7.615 -3.179 22 HA LYS 3 HA LYS 3 9.376 -6.846 -0.442 23 1HB LYS 3 HB2 LYS 3 10.556 -4.729 -0.596 24 2HB LYS 3 HB1 LYS 3 11.693 -6.053 -0.814 25 1HG LYS 3 HG2 LYS 3 11.906 -5.642 -3.110 26 2HG LYS 3 HG1 LYS 3 10.464 -4.626 -3.147 27 1HD LYS 3 HD2 LYS 3 12.429 -3.230 -3.277 28 2HD LYS 3 HD1 LYS 3 11.636 -2.978 -1.721 29 1HE LYS 3 HE2 LYS 3 13.470 -5.085 -1.359 30 2HE LYS 3 HE1 LYS 3 14.314 -3.837 -2.275 31 1HZ LYS 3 HZ1 LYS 3 13.120 -2.357 -0.420 32 2HZ LYS 3 HZ2 LYS 3 14.670 -3.007 -0.230 33 3HZ LYS 3 HZ3 LYS 3 13.337 -3.787 0.458 34 H VAL 4 HN VAL 4 7.715 -7.568 -2.550 35 HA VAL 4 HA VAL 4 6.640 -5.286 -3.884 36 HB VAL 4 HB VAL 4 6.115 -7.558 -4.667 37 1HG1 VAL 4 HG11 VAL 4 5.887 -8.270 -2.096 38 2HG1 VAL 4 HG12 VAL 4 5.168 -9.190 -3.418 39 3HG1 VAL 4 HG13 VAL 4 4.181 -8.061 -2.490 40 1HG2 VAL 4 HG21 VAL 4 4.393 -5.446 -4.552 41 2HG2 VAL 4 HG22 VAL 4 3.420 -6.743 -3.858 42 3HG2 VAL 4 HG23 VAL 4 4.116 -6.928 -5.468 43 H PHE 5 HN PHE 5 6.760 -6.350 -0.742 44 HA PHE 5 HA PHE 5 4.462 -5.722 0.535 45 1HB PHE 5 HB2 PHE 5 6.584 -6.668 1.494 46 2HB PHE 5 HB1 PHE 5 7.241 -5.039 1.491 47 HD1 PHE 5 HD1 PHE 5 4.220 -6.868 2.706 48 HD2 PHE 5 HD2 PHE 5 7.108 -3.829 3.439 49 HE1 PHE 5 HE1 PHE 5 3.233 -6.470 4.925 50 HE2 PHE 5 HE2 PHE 5 6.128 -3.427 5.659 51 HZ PHE 5 HZ PHE 5 4.188 -4.749 6.405 52 H LYS 6 HN LYS 6 6.662 -3.596 -0.964 53 HA LYS 6 HA LYS 6 5.888 -1.202 0.360 54 1HB LYS 6 HB2 LYS 6 7.911 -1.894 -1.372 55 2HB LYS 6 HB1 LYS 6 6.880 -0.893 -2.385 56 1HG LYS 6 HG2 LYS 6 6.959 0.755 -0.377 57 2HG LYS 6 HG1 LYS 6 8.396 -0.163 0.078 58 1HD LYS 6 HD2 LYS 6 8.079 0.880 -2.711 59 2HD LYS 6 HD1 LYS 6 8.655 1.937 -1.421 60 1HE LYS 6 HE2 LYS 6 10.652 0.892 -1.277 61 2HE LYS 6 HE1 LYS 6 9.959 -0.699 -1.592 62 1HZ LYS 6 HZ1 LYS 6 11.475 0.607 -3.335 63 2HZ LYS 6 HZ2 LYS 6 9.954 1.159 -3.826 64 3HZ LYS 6 HZ3 LYS 6 10.281 -0.500 -3.797 65 H ARG 7 HN ARG 7 4.767 -2.921 -2.488 66 HA ARG 7 HA ARG 7 3.083 -0.829 -3.437 67 1HB ARG 7 HB2 ARG 7 3.475 -3.706 -4.042 68 2HB ARG 7 HB1 ARG 7 1.901 -3.030 -4.440 69 1HG ARG 7 HG2 ARG 7 4.414 -1.672 -5.327 70 2HG ARG 7 HG1 ARG 7 3.745 -3.031 -6.233 71 1HD ARG 7 HD2 ARG 7 2.248 -0.506 -5.536 72 2HD ARG 7 HD1 ARG 7 3.006 -0.834 -7.094 73 HE ARG 7 HE ARG 7 0.523 -1.902 -6.109 74 1HH1 ARG 7 HH11 ARG 7 3.165 -2.379 -8.339 75 2HH1 ARG 7 HH12 ARG 7 2.244 -3.377 -9.412 76 1HH2 ARG 7 HH21 ARG 7 -0.690 -3.216 -7.519 77 2HH2 ARG 7 HH22 ARG 7 0.055 -3.853 -8.947 78 H LEU 8 HN LEU 8 2.762 -3.405 -1.107 79 HA LEU 8 HA LEU 8 -0.060 -3.311 -0.851 80 1HB LEU 8 HB2 LEU 8 2.129 -4.717 0.360 81 2HB LEU 8 HB1 LEU 8 1.084 -4.093 1.622 82 HG LEU 8 HG LEU 8 -0.773 -5.174 -0.011 83 1HD1 LEU 8 HD11 LEU 8 1.447 -6.012 -1.282 84 2HD1 LEU 8 HD12 LEU 8 -0.073 -6.906 -1.269 85 3HD1 LEU 8 HD13 LEU 8 1.215 -7.343 -0.147 86 1HD2 LEU 8 HD21 LEU 8 -0.063 -5.551 2.495 87 2HD2 LEU 8 HD22 LEU 8 0.632 -7.034 1.839 88 3HD2 LEU 8 HD23 LEU 8 -1.092 -6.711 1.653 89 H GLU 9 HN GLU 9 2.603 -1.712 0.884 90 HA GLU 9 HA GLU 9 0.916 -0.377 2.736 91 1HB GLU 9 HB2 GLU 9 2.890 1.133 3.074 92 2HB GLU 9 HB1 GLU 9 3.245 -0.578 3.267 93 1HG GLU 9 HG2 GLU 9 4.245 -0.658 1.079 94 2HG GLU 9 HG1 GLU 9 3.802 1.021 0.782 95 H LYS 10 HN LYS 10 1.780 0.180 -0.567 96 HA LYS 10 HA LYS 10 1.116 2.949 -0.664 97 1HB LYS 10 HB2 LYS 10 2.524 1.699 -2.352 98 2HB LYS 10 HB1 LYS 10 1.037 0.976 -2.951 99 1HG LYS 10 HG2 LYS 10 0.499 3.692 -2.923 100 2HG LYS 10 HG1 LYS 10 2.173 3.586 -3.471 101 1HD LYS 10 HD2 LYS 10 1.602 2.630 -5.431 102 2HD LYS 10 HD1 LYS 10 0.341 1.639 -4.694 103 1HE LYS 10 HE2 LYS 10 -1.148 3.564 -4.623 104 2HE LYS 10 HE1 LYS 10 0.116 4.583 -5.309 105 1HZ LYS 10 HZ1 LYS 10 -1.301 2.335 -6.624 106 2HZ LYS 10 HZ2 LYS 10 0.083 3.060 -7.271 107 3HZ LYS 10 HZ3 LYS 10 -1.327 3.970 -7.061 108 H LEU 11 HN LEU 11 -0.646 -0.057 -1.315 109 HA LEU 11 HA LEU 11 -3.029 1.167 -2.214 110 1HB LEU 11 HB2 LEU 11 -2.096 -1.474 -1.687 111 2HB LEU 11 HB1 LEU 11 -3.625 -1.273 -0.852 112 HG LEU 11 HG LEU 11 -3.695 -0.285 -3.602 113 1HD1 LEU 11 HD11 LEU 11 -3.155 -3.208 -3.107 114 2HD1 LEU 11 HD12 LEU 11 -2.132 -2.085 -4.002 115 3HD1 LEU 11 HD13 LEU 11 -3.722 -2.521 -4.629 116 1HD2 LEU 11 HD21 LEU 11 -5.763 -0.485 -2.607 117 2HD2 LEU 11 HD22 LEU 11 -5.344 -1.990 -1.790 118 3HD2 LEU 11 HD23 LEU 11 -5.665 -1.988 -3.525 119 H PHE 12 HN PHE 12 -1.750 0.437 0.956 120 HA PHE 12 HA PHE 12 -4.127 0.848 2.431 121 1HB PHE 12 HB2 PHE 12 -1.637 -0.021 3.073 122 2HB PHE 12 HB1 PHE 12 -1.567 1.622 3.703 123 HD1 PHE 12 HD1 PHE 12 -1.700 1.442 6.001 124 HD2 PHE 12 HD2 PHE 12 -4.389 -0.802 3.584 125 HE1 PHE 12 HE1 PHE 12 -2.903 0.716 8.020 126 HE2 PHE 12 HE2 PHE 12 -5.598 -1.532 5.599 127 HZ PHE 12 HZ PHE 12 -4.855 -0.772 7.821 128 H SER 13 HN SER 13 -1.724 2.981 1.069 129 HA SER 13 HA SER 13 -2.345 5.316 2.513 130 1HB SER 13 HB2 SER 13 -1.543 5.507 -0.359 131 2HB SER 13 HB1 SER 13 -0.957 6.419 1.032 132 HG SER 13 HG SER 13 0.496 4.927 1.407 133 H LYS 14 HN LYS 14 -3.790 3.800 -0.307 134 HA LYS 14 HA LYS 14 -5.416 5.941 -1.133 135 1HB LYS 14 HB2 LYS 14 -5.043 3.223 -1.849 136 2HB LYS 14 HB1 LYS 14 -6.761 3.436 -1.545 137 1HG LYS 14 HG2 LYS 14 -7.049 4.818 -3.321 138 2HG LYS 14 HG1 LYS 14 -5.415 5.476 -3.217 139 1HD LYS 14 HD2 LYS 14 -5.533 2.622 -3.881 140 2HD LYS 14 HD1 LYS 14 -6.265 3.680 -5.088 141 1HE LYS 14 HE2 LYS 14 -3.513 4.117 -3.947 142 2HE LYS 14 HE1 LYS 14 -3.817 3.185 -5.413 143 1HZ LYS 14 HZ1 LYS 14 -4.330 5.033 -6.593 144 2HZ LYS 14 HZ2 LYS 14 -3.295 5.758 -5.469 145 3HZ LYS 14 HZ3 LYS 14 -4.970 5.863 -5.265 146 H ILE 15 HN ILE 15 -5.810 3.493 1.351 147 HA ILE 15 HA ILE 15 -8.537 3.917 1.907 148 HB ILE 15 HB ILE 15 -6.395 3.095 3.871 149 1HG1 ILE 15 HG12 ILE 15 -6.531 1.762 1.692 150 2HG1 ILE 15 HG11 ILE 15 -6.678 0.851 3.188 151 1HG2 ILE 15 HG21 ILE 15 -9.350 2.502 3.862 152 2HG2 ILE 15 HG22 ILE 15 -8.571 3.739 4.848 153 3HG2 ILE 15 HG23 ILE 15 -8.180 2.038 5.098 154 1HD1 ILE 15 HD11 ILE 15 -9.136 0.875 2.901 155 2HD1 ILE 15 HD12 ILE 15 -8.279 0.041 1.605 156 3HD1 ILE 15 HD13 ILE 15 -8.907 1.668 1.342 157 H GLN 16 HN GLN 16 -5.627 5.606 2.849 158 HA GLN 16 HA GLN 16 -6.705 7.121 4.972 159 1HB GLN 16 HB2 GLN 16 -4.216 6.811 3.892 160 2HB GLN 16 HB1 GLN 16 -4.629 8.428 3.340 161 1HG GLN 16 HG2 GLN 16 -3.864 9.125 5.304 162 2HG GLN 16 HG1 GLN 16 -5.363 8.490 5.980 163 1HE2 GLN 16 HE21 GLN 16 -2.366 8.677 6.772 164 2HE2 GLN 16 HE22 GLN 16 -2.052 7.115 7.440 165 H ASN 17 HN ASN 17 -6.730 7.506 1.494 166 HA ASN 17 HA ASN 17 -7.586 10.209 1.437 167 1HB ASN 17 HB2 ASN 17 -7.648 7.954 -0.550 168 2HB ASN 17 HB1 ASN 17 -8.424 9.493 -0.912 169 1HD2 ASN 17 HD21 ASN 17 -6.988 9.858 -2.612 170 2HD2 ASN 17 HD22 ASN 17 -5.353 10.340 -2.335 171 H TRP 18 HN TRP 18 -9.242 7.150 1.769 172 HA TRP 18 HA TRP 18 -11.862 8.331 1.401 173 1HB TRP 18 HB2 TRP 18 -10.778 5.705 1.313 174 2HB TRP 18 HB1 TRP 18 -12.010 5.723 2.571 175 HD1 TRP 18 HD1 TRP 18 -11.889 7.258 -1.006 176 HE1 TRP 18 HE1 TRP 18 -14.080 6.628 -2.201 177 HE3 TRP 18 HE3 TRP 18 -14.078 4.507 2.706 178 HZ2 TRP 18 HZ2 TRP 18 -16.426 5.160 -1.643 179 HZ3 TRP 18 HZ3 TRP 18 -16.296 3.524 2.295 180 HH2 TRP 18 HH2 TRP 18 -17.445 3.846 0.165 181 H LYS 19 HN LYS 19 -9.753 7.384 4.021 182 HA LYS 19 HA LYS 19 -11.644 7.399 6.108 183 1HB LYS 19 HB2 LYS 19 -8.783 7.195 5.837 184 2HB LYS 19 HB1 LYS 19 -9.182 8.271 7.169 185 1HG LYS 19 HG2 LYS 19 -9.016 6.161 8.143 186 2HG LYS 19 HG1 LYS 19 -10.752 6.429 7.968 187 1HD LYS 19 HD2 LYS 19 -10.157 5.241 5.597 188 2HD LYS 19 HD1 LYS 19 -9.000 4.456 6.673 189 1HE LYS 19 HE2 LYS 19 -11.084 3.194 6.549 190 2HE LYS 19 HE1 LYS 19 -10.814 3.821 8.175 191 1HZ LYS 19 HZ1 LYS 19 -12.521 5.309 7.984 192 2HZ LYS 19 HZ2 LYS 19 -13.129 4.049 7.034 193 3HZ LYS 19 HZ3 LYS 19 -12.426 5.399 6.297 194 1HN NH2 20 NH1 NH2 20 -10.975 9.095 8.020 195 2HN NH2 20 NH2 NH2 20 -11.237 10.738 7.553 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 12.976 -10.217 -7.337 2 2H ALA 1 HT2 ALA 1 11.542 -11.161 -7.343 3 3H ALA 1 HT3 ALA 1 12.389 -10.891 -5.875 4 HA ALA 1 HA ALA 1 11.986 -8.488 -6.223 5 1HB ALA 1 HB1 ALA 1 10.636 -7.730 -7.877 6 2HB ALA 1 HB2 ALA 1 9.663 -9.201 -7.909 7 3HB ALA 1 HB3 ALA 1 11.241 -9.170 -8.696 8 H LYS 2 HN LYS 2 11.687 -9.825 -4.116 9 HA LYS 2 HA LYS 2 8.849 -10.307 -3.567 10 1HB LYS 2 HB2 LYS 2 10.832 -11.916 -2.957 11 2HB LYS 2 HB1 LYS 2 11.029 -10.835 -1.584 12 1HG LYS 2 HG2 LYS 2 8.267 -11.566 -1.881 13 2HG LYS 2 HG1 LYS 2 9.284 -13.006 -1.816 14 1HD LYS 2 HD2 LYS 2 9.725 -10.802 0.151 15 2HD LYS 2 HD1 LYS 2 8.383 -11.924 0.389 16 1HE LYS 2 HE2 LYS 2 9.923 -13.154 1.472 17 2HE LYS 2 HE1 LYS 2 10.392 -13.651 -0.153 18 1HZ LYS 2 HZ1 LYS 2 12.145 -12.727 1.530 19 2HZ LYS 2 HZ2 LYS 2 11.600 -11.228 0.968 20 3HZ LYS 2 HZ3 LYS 2 12.249 -12.352 -0.117 21 H LYS 3 HN LYS 3 9.973 -7.617 -3.864 22 HA LYS 3 HA LYS 3 9.579 -6.597 -1.121 23 1HB LYS 3 HB2 LYS 3 11.650 -6.072 -2.891 24 2HB LYS 3 HB1 LYS 3 10.599 -4.676 -3.082 25 1HG LYS 3 HG2 LYS 3 10.820 -4.060 -0.835 26 2HG LYS 3 HG1 LYS 3 11.467 -5.638 -0.378 27 1HD LYS 3 HD2 LYS 3 13.455 -5.140 -1.820 28 2HD LYS 3 HD1 LYS 3 12.824 -3.504 -2.019 29 1HE LYS 3 HE2 LYS 3 12.736 -3.701 0.657 30 2HE LYS 3 HE1 LYS 3 14.085 -4.787 0.327 31 1HZ LYS 3 HZ1 LYS 3 14.897 -2.570 0.679 32 2HZ LYS 3 HZ2 LYS 3 13.866 -1.946 -0.508 33 3HZ LYS 3 HZ3 LYS 3 15.129 -2.981 -0.946 34 H VAL 4 HN VAL 4 7.428 -7.390 -2.714 35 HA VAL 4 HA VAL 4 6.166 -5.147 -3.947 36 HB VAL 4 HB VAL 4 4.804 -7.533 -2.675 37 1HG1 VAL 4 HG11 VAL 4 3.926 -5.312 -4.432 38 2HG1 VAL 4 HG12 VAL 4 3.058 -6.154 -3.148 39 3HG1 VAL 4 HG13 VAL 4 3.240 -6.909 -4.732 40 1HG2 VAL 4 HG21 VAL 4 5.195 -7.511 -5.588 41 2HG2 VAL 4 HG22 VAL 4 5.305 -8.842 -4.436 42 3HG2 VAL 4 HG23 VAL 4 6.663 -7.735 -4.636 43 H PHE 5 HN PHE 5 6.976 -5.991 -0.843 44 HA PHE 5 HA PHE 5 5.082 -5.228 0.899 45 1HB PHE 5 HB2 PHE 5 7.362 -6.089 1.413 46 2HB PHE 5 HB1 PHE 5 8.006 -4.498 1.039 47 HD1 PHE 5 HD1 PHE 5 6.289 -6.535 3.497 48 HD2 PHE 5 HD2 PHE 5 7.512 -2.581 2.508 49 HE1 PHE 5 HE1 PHE 5 5.931 -5.844 5.832 50 HE2 PHE 5 HE2 PHE 5 7.157 -1.883 4.841 51 HZ PHE 5 HZ PHE 5 6.365 -3.516 6.506 52 H LYS 6 HN LYS 6 6.850 -3.196 -1.207 53 HA LYS 6 HA LYS 6 6.292 -0.722 0.078 54 1HB LYS 6 HB2 LYS 6 7.954 -1.460 -1.946 55 2HB LYS 6 HB1 LYS 6 6.659 -0.691 -2.855 56 1HG LYS 6 HG2 LYS 6 8.075 0.616 -0.546 57 2HG LYS 6 HG1 LYS 6 8.558 0.807 -2.232 58 1HD LYS 6 HD2 LYS 6 6.975 2.336 -2.581 59 2HD LYS 6 HD1 LYS 6 5.729 1.275 -1.922 60 1HE LYS 6 HE2 LYS 6 6.227 2.007 0.320 61 2HE LYS 6 HE1 LYS 6 7.596 2.958 -0.256 62 1HZ LYS 6 HZ1 LYS 6 5.315 4.085 0.201 63 2HZ LYS 6 HZ2 LYS 6 4.920 3.504 -1.338 64 3HZ LYS 6 HZ3 LYS 6 6.233 4.552 -1.142 65 H ARG 7 HN ARG 7 4.756 -2.548 -2.527 66 HA ARG 7 HA ARG 7 2.774 -0.647 -3.155 67 1HB ARG 7 HB2 ARG 7 2.881 -3.645 -3.470 68 2HB ARG 7 HB1 ARG 7 1.514 -2.686 -4.020 69 1HG ARG 7 HG2 ARG 7 4.233 -1.897 -4.918 70 2HG ARG 7 HG1 ARG 7 3.490 -3.329 -5.634 71 1HD ARG 7 HD2 ARG 7 1.569 -2.032 -6.323 72 2HD ARG 7 HD1 ARG 7 2.208 -0.603 -5.513 73 HE ARG 7 HE ARG 7 2.985 -1.636 -8.081 74 1HH1 ARG 7 HH11 ARG 7 3.973 0.315 -5.361 75 2HH1 ARG 7 HH12 ARG 7 5.126 1.227 -6.275 76 1HH2 ARG 7 HH21 ARG 7 4.502 -0.438 -9.284 77 2HH2 ARG 7 HH22 ARG 7 5.427 0.800 -8.502 78 H LEU 8 HN LEU 8 3.059 -3.083 -0.664 79 HA LEU 8 HA LEU 8 0.358 -3.126 0.159 80 1HB LEU 8 HB2 LEU 8 2.632 -4.489 0.851 81 2HB LEU 8 HB1 LEU 8 2.370 -3.494 2.270 82 HG LEU 8 HG LEU 8 -0.042 -4.874 1.324 83 1HD1 LEU 8 HD11 LEU 8 2.309 -6.453 2.352 84 2HD1 LEU 8 HD12 LEU 8 1.531 -6.616 0.778 85 3HD1 LEU 8 HD13 LEU 8 0.655 -7.055 2.244 86 1HD2 LEU 8 HD21 LEU 8 0.217 -5.546 3.884 87 2HD2 LEU 8 HD22 LEU 8 -0.383 -3.967 3.378 88 3HD2 LEU 8 HD23 LEU 8 1.301 -4.156 3.865 89 H GLU 9 HN GLU 9 3.121 -1.114 1.054 90 HA GLU 9 HA GLU 9 1.771 0.279 3.139 91 1HB GLU 9 HB2 GLU 9 4.273 0.777 1.552 92 2HB GLU 9 HB1 GLU 9 3.646 2.018 2.629 93 1HG GLU 9 HG2 GLU 9 3.618 -0.028 4.325 94 2HG GLU 9 HG1 GLU 9 4.903 -0.585 3.254 95 H LYS 10 HN LYS 10 2.023 0.657 -0.319 96 HA LYS 10 HA LYS 10 0.969 3.300 -0.438 97 1HB LYS 10 HB2 LYS 10 1.764 1.221 -2.323 98 2HB LYS 10 HB1 LYS 10 0.323 2.078 -2.852 99 1HG LYS 10 HG2 LYS 10 1.986 4.110 -2.035 100 2HG LYS 10 HG1 LYS 10 3.094 2.952 -2.773 101 1HD LYS 10 HD2 LYS 10 1.239 2.909 -4.653 102 2HD LYS 10 HD1 LYS 10 0.866 4.504 -3.995 103 1HE LYS 10 HE2 LYS 10 3.585 4.601 -4.192 104 2HE LYS 10 HE1 LYS 10 3.161 3.602 -5.582 105 1HZ LYS 10 HZ1 LYS 10 3.196 5.905 -6.213 106 2HZ LYS 10 HZ2 LYS 10 2.114 6.315 -4.979 107 3HZ LYS 10 HZ3 LYS 10 1.599 5.349 -6.268 108 H LEU 11 HN LEU 11 -0.385 0.083 -0.305 109 HA LEU 11 HA LEU 11 -3.022 0.743 -1.088 110 1HB LEU 11 HB2 LEU 11 -1.686 -1.574 -0.507 111 2HB LEU 11 HB1 LEU 11 -2.737 -1.415 0.887 112 HG LEU 11 HG LEU 11 -4.047 -1.038 -1.732 113 1HD1 LEU 11 HD11 LEU 11 -2.728 -3.600 -0.929 114 2HD1 LEU 11 HD12 LEU 11 -2.795 -2.824 -2.511 115 3HD1 LEU 11 HD13 LEU 11 -4.229 -3.614 -1.855 116 1HD2 LEU 11 HD21 LEU 11 -5.879 -1.721 -0.608 117 2HD2 LEU 11 HD22 LEU 11 -4.912 -1.297 0.804 118 3HD2 LEU 11 HD23 LEU 11 -5.005 -2.976 0.272 119 H PHE 12 HN PHE 12 -1.314 0.822 1.987 120 HA PHE 12 HA PHE 12 -3.588 1.263 3.619 121 1HB PHE 12 HB2 PHE 12 -1.382 0.537 4.500 122 2HB PHE 12 HB1 PHE 12 -0.725 2.122 4.105 123 HD1 PHE 12 HD1 PHE 12 -2.533 0.165 6.506 124 HD2 PHE 12 HD2 PHE 12 -1.652 4.143 5.276 125 HE1 PHE 12 HE1 PHE 12 -3.236 0.998 8.712 126 HE2 PHE 12 HE2 PHE 12 -2.353 4.983 7.480 127 HZ PHE 12 HZ PHE 12 -3.146 3.411 9.201 128 H SER 13 HN SER 13 -1.384 3.404 1.891 129 HA SER 13 HA SER 13 -2.385 5.832 2.928 130 1HB SER 13 HB2 SER 13 -0.394 5.062 1.085 131 2HB SER 13 HB1 SER 13 -1.485 6.124 0.197 132 HG SER 13 HG SER 13 -0.697 7.739 1.268 133 H LYS 14 HN LYS 14 -3.452 3.678 0.403 134 HA LYS 14 HA LYS 14 -5.222 5.450 -0.910 135 1HB LYS 14 HB2 LYS 14 -4.346 2.955 -1.441 136 2HB LYS 14 HB1 LYS 14 -5.931 2.573 -0.784 137 1HG LYS 14 HG2 LYS 14 -6.094 4.737 -2.684 138 2HG LYS 14 HG1 LYS 14 -5.321 3.318 -3.394 139 1HD LYS 14 HD2 LYS 14 -7.420 2.206 -2.040 140 2HD LYS 14 HD1 LYS 14 -8.103 3.741 -2.578 141 1HE LYS 14 HE2 LYS 14 -8.397 2.880 -4.602 142 2HE LYS 14 HE1 LYS 14 -6.653 2.669 -4.752 143 1HZ LYS 14 HZ1 LYS 14 -8.473 0.696 -3.484 144 2HZ LYS 14 HZ2 LYS 14 -6.825 0.493 -3.804 145 3HZ LYS 14 HZ3 LYS 14 -7.926 0.602 -5.082 146 H ILE 15 HN ILE 15 -5.483 3.443 1.947 147 HA ILE 15 HA ILE 15 -8.296 3.553 2.230 148 HB ILE 15 HB ILE 15 -6.271 3.308 4.457 149 1HG1 ILE 15 HG12 ILE 15 -7.504 1.148 2.730 150 2HG1 ILE 15 HG11 ILE 15 -5.817 1.653 2.702 151 1HG2 ILE 15 HG21 ILE 15 -7.960 2.721 5.830 152 2HG2 ILE 15 HG22 ILE 15 -8.844 1.881 4.557 153 3HG2 ILE 15 HG23 ILE 15 -8.937 3.637 4.683 154 1HD1 ILE 15 HD11 ILE 15 -5.319 0.277 4.359 155 2HD1 ILE 15 HD12 ILE 15 -6.954 -0.374 4.230 156 3HD1 ILE 15 HD13 ILE 15 -6.610 0.930 5.367 157 H GLN 16 HN GLN 16 -5.689 5.697 3.189 158 HA GLN 16 HA GLN 16 -7.241 7.355 4.897 159 1HB GLN 16 HB2 GLN 16 -4.537 7.209 4.029 160 2HB GLN 16 HB1 GLN 16 -5.108 8.838 3.695 161 1HG GLN 16 HG2 GLN 16 -4.256 9.019 5.828 162 2HG GLN 16 HG1 GLN 16 -5.980 8.790 6.118 163 1HE2 GLN 16 HE21 GLN 16 -6.610 7.162 7.376 164 2HE2 GLN 16 HE22 GLN 16 -5.583 5.908 7.975 165 H ASN 17 HN ASN 17 -6.650 7.259 1.458 166 HA ASN 17 HA ASN 17 -7.722 9.848 0.895 167 1HB ASN 17 HB2 ASN 17 -6.141 8.359 -0.550 168 2HB ASN 17 HB1 ASN 17 -7.635 7.615 -1.111 169 1HD2 ASN 17 HD21 ASN 17 -9.137 8.883 -2.256 170 2HD2 ASN 17 HD22 ASN 17 -8.655 10.339 -3.052 171 H TRP 18 HN TRP 18 -9.020 6.630 1.235 172 HA TRP 18 HA TRP 18 -11.581 7.319 0.090 173 1HB TRP 18 HB2 TRP 18 -10.201 4.920 0.690 174 2HB TRP 18 HB1 TRP 18 -11.676 4.909 1.652 175 HD1 TRP 18 HD1 TRP 18 -13.952 4.550 0.392 176 HE1 TRP 18 HE1 TRP 18 -14.555 3.946 -2.036 177 HE3 TRP 18 HE3 TRP 18 -9.392 5.313 -1.791 178 HZ2 TRP 18 HZ2 TRP 18 -13.268 3.809 -4.544 179 HZ3 TRP 18 HZ3 TRP 18 -9.163 4.922 -4.210 180 HH2 TRP 18 HH2 TRP 18 -11.062 4.186 -5.557 181 H LYS 19 HN LYS 19 -10.103 7.206 3.241 182 HA LYS 19 HA LYS 19 -12.389 7.106 4.852 183 1HB LYS 19 HB2 LYS 19 -9.596 8.079 5.204 184 2HB LYS 19 HB1 LYS 19 -10.789 8.571 6.398 185 1HG LYS 19 HG2 LYS 19 -10.508 5.693 5.649 186 2HG LYS 19 HG1 LYS 19 -9.396 6.435 6.800 187 1HD LYS 19 HD2 LYS 19 -10.948 5.839 8.319 188 2HD LYS 19 HD1 LYS 19 -11.779 7.293 7.764 189 1HE LYS 19 HE2 LYS 19 -13.391 6.125 6.701 190 2HE LYS 19 HE1 LYS 19 -12.275 4.866 6.175 191 1HZ LYS 19 HZ1 LYS 19 -14.121 4.471 8.023 192 2HZ LYS 19 HZ2 LYS 19 -12.857 4.980 9.025 193 3HZ LYS 19 HZ3 LYS 19 -12.647 3.639 8.015 194 1HN NH2 20 NH1 NH2 20 -14.075 8.393 4.491 195 2HN NH2 20 NH2 NH2 20 -14.021 10.116 4.376 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 10.904 -9.521 -8.161 2 2H ALA 1 HT2 ALA 1 9.630 -8.606 -7.465 3 3H ALA 1 HT3 ALA 1 9.686 -10.308 -7.248 4 HA ALA 1 HA ALA 1 11.921 -9.893 -6.190 5 1HB ALA 1 HB1 ALA 1 11.527 -7.361 -7.001 6 2HB ALA 1 HB2 ALA 1 12.532 -7.797 -5.618 7 3HB ALA 1 HB3 ALA 1 10.870 -7.263 -5.367 8 H LYS 2 HN LYS 2 11.916 -9.684 -3.785 9 HA LYS 2 HA LYS 2 9.337 -10.612 -2.754 10 1HB LYS 2 HB2 LYS 2 11.779 -11.717 -2.472 11 2HB LYS 2 HB1 LYS 2 11.752 -10.700 -1.039 12 1HG LYS 2 HG2 LYS 2 10.655 -12.330 -0.016 13 2HG LYS 2 HG1 LYS 2 9.273 -11.950 -1.045 14 1HD LYS 2 HD2 LYS 2 9.564 -14.215 -1.428 15 2HD LYS 2 HD1 LYS 2 10.459 -13.493 -2.766 16 1HE LYS 2 HE2 LYS 2 11.983 -15.036 -2.023 17 2HE LYS 2 HE1 LYS 2 12.465 -13.625 -1.082 18 1HZ LYS 2 HZ1 LYS 2 12.144 -15.897 0.082 19 2HZ LYS 2 HZ2 LYS 2 10.498 -15.510 0.028 20 3HZ LYS 2 HZ3 LYS 2 11.579 -14.491 0.837 21 H LYS 3 HN LYS 3 9.880 -7.786 -3.247 22 HA LYS 3 HA LYS 3 9.413 -6.806 -0.509 23 1HB LYS 3 HB2 LYS 3 11.766 -6.299 -1.387 24 2HB LYS 3 HB1 LYS 3 10.990 -5.230 -2.546 25 1HG LYS 3 HG2 LYS 3 9.864 -4.345 -0.269 26 2HG LYS 3 HG1 LYS 3 11.424 -4.898 0.345 27 1HD LYS 3 HD2 LYS 3 11.141 -3.083 -2.042 28 2HD LYS 3 HD1 LYS 3 11.325 -2.485 -0.392 29 1HE LYS 3 HE2 LYS 3 13.503 -3.143 -0.248 30 2HE LYS 3 HE1 LYS 3 13.278 -4.502 -1.349 31 1HZ LYS 3 HZ1 LYS 3 14.405 -3.157 -2.737 32 2HZ LYS 3 HZ2 LYS 3 13.961 -1.738 -1.931 33 3HZ LYS 3 HZ3 LYS 3 12.881 -2.471 -3.008 34 H VAL 4 HN VAL 4 7.494 -7.520 -2.393 35 HA VAL 4 HA VAL 4 6.466 -5.245 -3.771 36 HB VAL 4 HB VAL 4 4.817 -7.533 -2.684 37 1HG1 VAL 4 HG11 VAL 4 4.234 -6.364 -5.315 38 2HG1 VAL 4 HG12 VAL 4 4.013 -5.272 -3.947 39 3HG1 VAL 4 HG13 VAL 4 3.145 -6.807 -4.000 40 1HG2 VAL 4 HG21 VAL 4 6.245 -8.832 -3.865 41 2HG2 VAL 4 HG22 VAL 4 6.799 -7.496 -4.874 42 3HG2 VAL 4 HG23 VAL 4 5.260 -8.284 -5.221 43 H PHE 5 HN PHE 5 6.812 -6.125 -0.586 44 HA PHE 5 HA PHE 5 4.723 -5.281 0.876 45 1HB PHE 5 HB2 PHE 5 6.879 -6.243 1.691 46 2HB PHE 5 HB1 PHE 5 7.623 -4.672 1.444 47 HD1 PHE 5 HD1 PHE 5 8.182 -3.916 3.562 48 HD2 PHE 5 HD2 PHE 5 4.298 -5.519 2.885 49 HE1 PHE 5 HE1 PHE 5 7.511 -3.239 5.830 50 HE2 PHE 5 HE2 PHE 5 3.620 -4.843 5.151 51 HZ PHE 5 HZ PHE 5 5.227 -3.701 6.627 52 H LYS 6 HN LYS 6 6.863 -3.339 -0.949 53 HA LYS 6 HA LYS 6 6.281 -0.835 0.248 54 1HB LYS 6 HB2 LYS 6 8.027 -1.748 -1.721 55 2HB LYS 6 HB1 LYS 6 6.940 -0.672 -2.587 56 1HG LYS 6 HG2 LYS 6 7.890 0.419 -0.052 57 2HG LYS 6 HG1 LYS 6 9.175 0.087 -1.214 58 1HD LYS 6 HD2 LYS 6 7.310 1.278 -2.798 59 2HD LYS 6 HD1 LYS 6 7.053 2.117 -1.267 60 1HE LYS 6 HE2 LYS 6 8.699 3.445 -2.078 61 2HE LYS 6 HE1 LYS 6 9.723 2.203 -1.356 62 1HZ LYS 6 HZ1 LYS 6 9.080 2.657 -4.192 63 2HZ LYS 6 HZ2 LYS 6 9.512 1.107 -3.671 64 3HZ LYS 6 HZ3 LYS 6 10.585 2.397 -3.465 65 H ARG 7 HN ARG 7 4.940 -2.595 -2.509 66 HA ARG 7 HA ARG 7 3.155 -0.602 -3.374 67 1HB ARG 7 HB2 ARG 7 2.920 -3.612 -3.563 68 2HB ARG 7 HB1 ARG 7 1.915 -2.468 -4.441 69 1HG ARG 7 HG2 ARG 7 4.830 -2.148 -4.756 70 2HG ARG 7 HG1 ARG 7 4.114 -3.597 -5.466 71 1HD ARG 7 HD2 ARG 7 3.844 -2.171 -7.218 72 2HD ARG 7 HD1 ARG 7 2.346 -1.831 -6.352 73 HE ARG 7 HE ARG 7 4.069 -0.033 -5.311 74 1HH1 ARG 7 HH11 ARG 7 3.204 -0.868 -8.587 75 2HH1 ARG 7 HH12 ARG 7 3.495 0.724 -9.202 76 1HH2 ARG 7 HH21 ARG 7 4.451 2.062 -6.118 77 2HH2 ARG 7 HH22 ARG 7 4.203 2.388 -7.801 78 H LEU 8 HN LEU 8 3.001 -2.996 -0.829 79 HA LEU 8 HA LEU 8 0.241 -2.857 -0.287 80 1HB LEU 8 HB2 LEU 8 2.664 -3.749 1.182 81 2HB LEU 8 HB1 LEU 8 1.228 -3.430 2.136 82 HG LEU 8 HG LEU 8 0.055 -4.993 0.404 83 1HD1 LEU 8 HD11 LEU 8 2.951 -5.763 0.106 84 2HD1 LEU 8 HD12 LEU 8 1.854 -5.217 -1.163 85 3HD1 LEU 8 HD13 LEU 8 1.593 -6.777 -0.383 86 1HD2 LEU 8 HD21 LEU 8 0.868 -6.986 1.789 87 2HD2 LEU 8 HD22 LEU 8 0.100 -5.651 2.648 88 3HD2 LEU 8 HD23 LEU 8 1.856 -5.813 2.659 89 H GLU 9 HN GLU 9 2.992 -0.946 0.809 90 HA GLU 9 HA GLU 9 1.599 0.562 2.753 91 1HB GLU 9 HB2 GLU 9 4.072 1.239 1.148 92 2HB GLU 9 HB1 GLU 9 3.490 2.174 2.519 93 1HG GLU 9 HG2 GLU 9 3.630 -0.167 3.726 94 2HG GLU 9 HG1 GLU 9 4.806 -0.484 2.451 95 H LYS 10 HN LYS 10 2.005 0.889 -0.711 96 HA LYS 10 HA LYS 10 0.967 3.535 -0.893 97 1HB LYS 10 HB2 LYS 10 2.362 2.237 -2.632 98 2HB LYS 10 HB1 LYS 10 0.841 1.489 -3.100 99 1HG LYS 10 HG2 LYS 10 0.955 4.452 -2.955 100 2HG LYS 10 HG1 LYS 10 1.757 3.645 -4.304 101 1HD LYS 10 HD2 LYS 10 -1.012 2.805 -3.628 102 2HD LYS 10 HD1 LYS 10 -0.793 4.371 -4.412 103 1HE LYS 10 HE2 LYS 10 0.719 2.145 -5.600 104 2HE LYS 10 HE1 LYS 10 -1.035 2.016 -5.731 105 1HZ LYS 10 HZ1 LYS 10 0.523 4.404 -6.558 106 2HZ LYS 10 HZ2 LYS 10 -1.124 4.124 -6.820 107 3HZ LYS 10 HZ3 LYS 10 0.031 3.179 -7.617 108 H LEU 11 HN LEU 11 -0.421 0.310 -1.000 109 HA LEU 11 HA LEU 11 -3.022 1.124 -1.805 110 1HB LEU 11 HB2 LEU 11 -1.749 -1.283 -1.499 111 2HB LEU 11 HB1 LEU 11 -2.843 -1.283 -0.129 112 HG LEU 11 HG LEU 11 -4.716 -0.800 -1.750 113 1HD1 LEU 11 HD11 LEU 11 -2.947 -0.080 -3.527 114 2HD1 LEU 11 HD12 LEU 11 -4.425 -0.901 -4.028 115 3HD1 LEU 11 HD13 LEU 11 -2.914 -1.802 -3.904 116 1HD2 LEU 11 HD21 LEU 11 -4.692 -2.979 -0.982 117 2HD2 LEU 11 HD22 LEU 11 -3.132 -3.334 -1.723 118 3HD2 LEU 11 HD23 LEU 11 -4.575 -3.201 -2.727 119 H PHE 12 HN PHE 12 -1.358 0.869 1.259 120 HA PHE 12 HA PHE 12 -3.664 1.108 2.907 121 1HB PHE 12 HB2 PHE 12 -0.903 0.712 3.302 122 2HB PHE 12 HB1 PHE 12 -1.295 2.207 4.145 123 HD1 PHE 12 HD1 PHE 12 -3.404 2.110 5.680 124 HD2 PHE 12 HD2 PHE 12 -1.228 -1.303 4.365 125 HE1 PHE 12 HE1 PHE 12 -4.313 0.811 7.561 126 HE2 PHE 12 HE2 PHE 12 -2.134 -2.609 6.243 127 HZ PHE 12 HZ PHE 12 -3.679 -1.552 7.844 128 H SER 13 HN SER 13 -1.549 3.369 1.283 129 HA SER 13 HA SER 13 -2.401 5.696 2.670 130 1HB SER 13 HB2 SER 13 -0.330 5.791 1.454 131 2HB SER 13 HB1 SER 13 -1.123 5.312 -0.046 132 HG SER 13 HG SER 13 -1.510 7.337 -0.383 133 H LYS 14 HN LYS 14 -3.624 3.888 -0.057 134 HA LYS 14 HA LYS 14 -5.422 5.873 -1.007 135 1HB LYS 14 HB2 LYS 14 -4.997 2.968 -1.458 136 2HB LYS 14 HB1 LYS 14 -6.591 3.602 -1.846 137 1HG LYS 14 HG2 LYS 14 -4.037 4.776 -2.913 138 2HG LYS 14 HG1 LYS 14 -4.970 3.533 -3.750 139 1HD LYS 14 HD2 LYS 14 -6.402 5.971 -2.834 140 2HD LYS 14 HD1 LYS 14 -5.326 6.119 -4.226 141 1HE LYS 14 HE2 LYS 14 -7.153 5.488 -5.382 142 2HE LYS 14 HE1 LYS 14 -6.664 3.870 -4.881 143 1HZ LYS 14 HZ1 LYS 14 -8.125 4.606 -2.789 144 2HZ LYS 14 HZ2 LYS 14 -8.770 3.801 -4.130 145 3HZ LYS 14 HZ3 LYS 14 -8.915 5.481 -4.003 146 H ILE 15 HN ILE 15 -5.586 3.395 1.459 147 HA ILE 15 HA ILE 15 -8.403 3.509 1.848 148 HB ILE 15 HB ILE 15 -6.318 2.680 3.869 149 1HG1 ILE 15 HG12 ILE 15 -7.763 0.946 1.856 150 2HG1 ILE 15 HG11 ILE 15 -6.098 1.489 1.682 151 1HG2 ILE 15 HG21 ILE 15 -8.905 3.085 4.355 152 2HG2 ILE 15 HG22 ILE 15 -7.987 1.790 5.124 153 3HG2 ILE 15 HG23 ILE 15 -9.003 1.441 3.725 154 1HD1 ILE 15 HD11 ILE 15 -6.612 0.188 4.231 155 2HD1 ILE 15 HD12 ILE 15 -5.336 -0.093 3.047 156 3HD1 ILE 15 HD13 ILE 15 -6.914 -0.851 2.838 157 H GLN 16 HN GLN 16 -5.667 5.299 3.100 158 HA GLN 16 HA GLN 16 -7.101 6.597 5.199 159 1HB GLN 16 HB2 GLN 16 -4.422 6.869 3.938 160 2HB GLN 16 HB1 GLN 16 -5.047 8.274 4.791 161 1HG GLN 16 HG2 GLN 16 -4.921 7.272 6.828 162 2HG GLN 16 HG1 GLN 16 -5.166 5.654 6.172 163 1HE2 GLN 16 HE21 GLN 16 -3.434 4.437 5.615 164 2HE2 GLN 16 HE22 GLN 16 -1.793 4.925 5.849 165 H ASN 17 HN ASN 17 -6.509 7.237 1.814 166 HA ASN 17 HA ASN 17 -7.475 9.935 1.880 167 1HB ASN 17 HB2 ASN 17 -6.314 8.142 -0.073 168 2HB ASN 17 HB1 ASN 17 -7.711 8.975 -0.748 169 1HD2 ASN 17 HD21 ASN 17 -5.101 9.352 -1.645 170 2HD2 ASN 17 HD22 ASN 17 -4.627 10.976 -1.293 171 H TRP 18 HN TRP 18 -8.870 6.775 1.496 172 HA TRP 18 HA TRP 18 -11.392 7.785 0.497 173 1HB TRP 18 HB2 TRP 18 -10.168 5.406 0.177 174 2HB TRP 18 HB1 TRP 18 -11.205 5.017 1.546 175 HD1 TRP 18 HD1 TRP 18 -13.666 6.932 0.493 176 HE1 TRP 18 HE1 TRP 18 -15.130 6.026 -1.421 177 HE3 TRP 18 HE3 TRP 18 -10.452 3.438 -1.406 178 HZ2 TRP 18 HZ2 TRP 18 -14.948 4.087 -3.464 179 HZ3 TRP 18 HZ3 TRP 18 -11.174 2.099 -3.340 180 HH2 TRP 18 HH2 TRP 18 -13.376 2.418 -4.346 181 H LYS 19 HN LYS 19 -9.960 6.876 3.542 182 HA LYS 19 HA LYS 19 -12.424 6.673 4.982 183 1HB LYS 19 HB2 LYS 19 -9.556 6.495 5.586 184 2HB LYS 19 HB1 LYS 19 -10.516 7.186 6.887 185 1HG LYS 19 HG2 LYS 19 -11.028 4.533 5.559 186 2HG LYS 19 HG1 LYS 19 -10.248 4.770 7.124 187 1HD LYS 19 HD2 LYS 19 -12.409 6.060 7.733 188 2HD LYS 19 HD1 LYS 19 -13.106 5.219 6.347 189 1HE LYS 19 HE2 LYS 19 -11.907 3.159 7.605 190 2HE LYS 19 HE1 LYS 19 -12.292 4.184 8.987 191 1HZ LYS 19 HZ1 LYS 19 -14.150 2.830 8.716 192 2HZ LYS 19 HZ2 LYS 19 -14.144 2.970 7.030 193 3HZ LYS 19 HZ3 LYS 19 -14.613 4.285 7.985 194 1HN NH2 20 NH1 NH2 20 -12.646 8.109 7.017 195 2HN NH2 20 NH2 NH2 20 -12.555 9.812 6.738 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 12.174 -6.723 -5.898 2 2H ALA 1 HT2 ALA 1 13.470 -7.235 -6.899 3 3H ALA 1 HT3 ALA 1 13.242 -7.948 -5.354 4 HA ALA 1 HA ALA 1 11.418 -8.128 -7.655 5 1HB ALA 1 HB1 ALA 1 13.592 -9.850 -6.609 6 2HB ALA 1 HB2 ALA 1 13.045 -9.592 -8.266 7 3HB ALA 1 HB3 ALA 1 12.128 -10.645 -7.189 8 H LYS 2 HN LYS 2 12.209 -9.384 -4.412 9 HA LYS 2 HA LYS 2 9.396 -10.128 -4.064 10 1HB LYS 2 HB2 LYS 2 11.428 -11.685 -3.570 11 2HB LYS 2 HB1 LYS 2 11.564 -10.751 -2.086 12 1HG LYS 2 HG2 LYS 2 9.493 -11.484 -1.295 13 2HG LYS 2 HG1 LYS 2 8.981 -12.038 -2.890 14 1HD LYS 2 HD2 LYS 2 11.384 -13.263 -1.606 15 2HD LYS 2 HD1 LYS 2 9.772 -13.757 -1.083 16 1HE LYS 2 HE2 LYS 2 9.937 -15.242 -2.761 17 2HE LYS 2 HE1 LYS 2 9.495 -13.870 -3.776 18 1HZ LYS 2 HZ1 LYS 2 12.131 -13.551 -3.634 19 2HZ LYS 2 HZ2 LYS 2 11.369 -14.447 -4.849 20 3HZ LYS 2 HZ3 LYS 2 12.042 -15.237 -3.514 21 H LYS 3 HN LYS 3 10.202 -7.363 -4.006 22 HA LYS 3 HA LYS 3 9.646 -6.712 -1.176 23 1HB LYS 3 HB2 LYS 3 10.684 -4.499 -1.655 24 2HB LYS 3 HB1 LYS 3 11.810 -5.840 -1.819 25 1HG LYS 3 HG2 LYS 3 11.360 -5.770 -4.294 26 2HG LYS 3 HG1 LYS 3 10.496 -4.257 -4.009 27 1HD LYS 3 HD2 LYS 3 13.152 -4.368 -2.780 28 2HD LYS 3 HD1 LYS 3 13.171 -4.476 -4.541 29 1HE LYS 3 HE2 LYS 3 11.337 -2.456 -3.952 30 2HE LYS 3 HE1 LYS 3 12.679 -2.196 -2.839 31 1HZ LYS 3 HZ1 LYS 3 14.077 -1.664 -4.507 32 2HZ LYS 3 HZ2 LYS 3 12.647 -1.259 -5.315 33 3HZ LYS 3 HZ3 LYS 3 13.388 -2.752 -5.605 34 H VAL 4 HN VAL 4 7.653 -7.437 -2.987 35 HA VAL 4 HA VAL 4 6.310 -5.145 -4.032 36 HB VAL 4 HB VAL 4 5.013 -7.724 -3.126 37 1HG1 VAL 4 HG11 VAL 4 4.217 -5.590 -5.098 38 2HG1 VAL 4 HG12 VAL 4 3.398 -6.034 -3.600 39 3HG1 VAL 4 HG13 VAL 4 3.411 -7.153 -4.963 40 1HG2 VAL 4 HG21 VAL 4 6.425 -8.686 -4.603 41 2HG2 VAL 4 HG22 VAL 4 6.763 -7.167 -5.433 42 3HG2 VAL 4 HG23 VAL 4 5.280 -8.053 -5.786 43 H PHE 5 HN PHE 5 7.010 -6.286 -1.000 44 HA PHE 5 HA PHE 5 4.947 -5.833 0.677 45 1HB PHE 5 HB2 PHE 5 7.239 -6.662 1.239 46 2HB PHE 5 HB1 PHE 5 7.814 -5.007 1.130 47 HD1 PHE 5 HD1 PHE 5 4.807 -6.546 2.725 48 HD2 PHE 5 HD2 PHE 5 8.340 -4.227 3.225 49 HE1 PHE 5 HE1 PHE 5 4.237 -6.194 5.093 50 HE2 PHE 5 HE2 PHE 5 7.777 -3.871 5.594 51 HZ PHE 5 HZ PHE 5 5.723 -4.856 6.530 52 H LYS 6 HN LYS 6 6.745 -3.516 -1.069 53 HA LYS 6 HA LYS 6 6.041 -1.216 0.437 54 1HB LYS 6 HB2 LYS 6 7.794 -1.680 -1.592 55 2HB LYS 6 HB1 LYS 6 6.501 -0.866 -2.462 56 1HG LYS 6 HG2 LYS 6 6.867 1.121 -1.431 57 2HG LYS 6 HG1 LYS 6 7.419 0.369 0.067 58 1HD LYS 6 HD2 LYS 6 9.466 -0.368 -1.317 59 2HD LYS 6 HD1 LYS 6 8.940 0.858 -2.472 60 1HE LYS 6 HE2 LYS 6 9.564 1.330 0.442 61 2HE LYS 6 HE1 LYS 6 10.617 1.733 -0.914 62 1HZ LYS 6 HZ1 LYS 6 8.027 2.954 -0.178 63 2HZ LYS 6 HZ2 LYS 6 8.678 3.130 -1.729 64 3HZ LYS 6 HZ3 LYS 6 9.527 3.710 -0.386 65 H ARG 7 HN ARG 7 4.596 -2.926 -2.270 66 HA ARG 7 HA ARG 7 2.620 -1.039 -2.928 67 1HB ARG 7 HB2 ARG 7 3.269 -3.748 -3.631 68 2HB ARG 7 HB1 ARG 7 1.542 -3.628 -3.323 69 1HG ARG 7 HG2 ARG 7 1.721 -1.522 -4.866 70 2HG ARG 7 HG1 ARG 7 3.187 -2.325 -5.432 71 1HD ARG 7 HD2 ARG 7 1.517 -4.403 -5.520 72 2HD ARG 7 HD1 ARG 7 0.344 -3.105 -5.742 73 HE ARG 7 HE ARG 7 2.269 -2.495 -7.534 74 1HH1 ARG 7 HH11 ARG 7 0.474 -5.416 -6.884 75 2HH1 ARG 7 HH12 ARG 7 0.533 -5.966 -8.524 76 1HH2 ARG 7 HH21 ARG 7 2.347 -3.217 -9.693 77 2HH2 ARG 7 HH22 ARG 7 1.596 -4.718 -10.119 78 H LEU 8 HN LEU 8 2.816 -3.518 -0.451 79 HA LEU 8 HA LEU 8 0.116 -3.532 0.332 80 1HB LEU 8 HB2 LEU 8 2.565 -4.665 1.239 81 2HB LEU 8 HB1 LEU 8 1.791 -3.904 2.616 82 HG LEU 8 HG LEU 8 -0.321 -5.212 1.847 83 1HD1 LEU 8 HD11 LEU 8 0.207 -6.134 -0.194 84 2HD1 LEU 8 HD12 LEU 8 0.552 -7.477 0.897 85 3HD1 LEU 8 HD13 LEU 8 1.871 -6.485 0.273 86 1HD2 LEU 8 HD21 LEU 8 0.546 -7.247 3.085 87 2HD2 LEU 8 HD22 LEU 8 0.659 -5.705 3.933 88 3HD2 LEU 8 HD23 LEU 8 2.093 -6.406 3.183 89 H GLU 9 HN GLU 9 2.871 -1.572 1.406 90 HA GLU 9 HA GLU 9 1.398 -0.116 3.354 91 1HB GLU 9 HB2 GLU 9 3.931 0.648 1.881 92 2HB GLU 9 HB1 GLU 9 3.307 1.450 3.316 93 1HG GLU 9 HG2 GLU 9 3.449 -1.197 4.071 94 2HG GLU 9 HG1 GLU 9 4.882 -0.971 3.070 95 H LYS 10 HN LYS 10 1.875 0.176 -0.079 96 HA LYS 10 HA LYS 10 0.941 2.853 -0.332 97 1HB LYS 10 HB2 LYS 10 2.301 1.532 -2.039 98 2HB LYS 10 HB1 LYS 10 0.802 0.713 -2.456 99 1HG LYS 10 HG2 LYS 10 0.671 2.343 -3.998 100 2HG LYS 10 HG1 LYS 10 -0.006 3.265 -2.654 101 1HD LYS 10 HD2 LYS 10 2.937 3.273 -2.879 102 2HD LYS 10 HD1 LYS 10 2.060 4.114 -4.159 103 1HE LYS 10 HE2 LYS 10 0.924 5.491 -2.536 104 2HE LYS 10 HE1 LYS 10 1.650 4.585 -1.209 105 1HZ LYS 10 HZ1 LYS 10 3.129 6.259 -1.272 106 2HZ LYS 10 HZ2 LYS 10 2.798 6.660 -2.882 107 3HZ LYS 10 HZ3 LYS 10 3.825 5.364 -2.528 108 H LEU 11 HN LEU 11 -0.552 -0.308 -0.211 109 HA LEU 11 HA LEU 11 -3.107 0.440 -1.162 110 1HB LEU 11 HB2 LEU 11 -1.870 -1.907 -0.260 111 2HB LEU 11 HB1 LEU 11 -3.214 -1.651 0.837 112 HG LEU 11 HG LEU 11 -4.506 -1.279 -1.478 113 1HD1 LEU 11 HD11 LEU 11 -2.066 -2.866 -2.129 114 2HD1 LEU 11 HD12 LEU 11 -2.891 -1.629 -3.077 115 3HD1 LEU 11 HD13 LEU 11 -3.591 -3.241 -2.931 116 1HD2 LEU 11 HD21 LEU 11 -4.736 -3.943 -1.338 117 2HD2 LEU 11 HD22 LEU 11 -5.499 -2.847 -0.185 118 3HD2 LEU 11 HD23 LEU 11 -3.976 -3.636 0.223 119 H PHE 12 HN PHE 12 -1.624 0.446 2.045 120 HA PHE 12 HA PHE 12 -3.968 1.075 3.494 121 1HB PHE 12 HB2 PHE 12 -1.842 0.251 4.518 122 2HB PHE 12 HB1 PHE 12 -1.116 1.820 4.186 123 HD1 PHE 12 HD1 PHE 12 -4.161 0.416 5.825 124 HD2 PHE 12 HD2 PHE 12 -1.073 3.344 5.897 125 HE1 PHE 12 HE1 PHE 12 -5.016 1.260 7.972 126 HE2 PHE 12 HE2 PHE 12 -1.922 4.192 8.045 127 HZ PHE 12 HZ PHE 12 -3.896 3.150 9.085 128 H SER 13 HN SER 13 -1.660 2.996 1.706 129 HA SER 13 HA SER 13 -2.437 5.534 2.677 130 1HB SER 13 HB2 SER 13 -0.880 4.506 0.368 131 2HB SER 13 HB1 SER 13 -1.567 6.121 0.188 132 HG SER 13 HG SER 13 -0.278 6.859 1.718 133 H LYS 14 HN LYS 14 -3.731 3.377 0.259 134 HA LYS 14 HA LYS 14 -5.387 5.221 -1.092 135 1HB LYS 14 HB2 LYS 14 -4.743 2.627 -1.499 136 2HB LYS 14 HB1 LYS 14 -6.347 2.432 -0.808 137 1HG LYS 14 HG2 LYS 14 -5.865 4.329 -3.072 138 2HG LYS 14 HG1 LYS 14 -6.119 2.606 -3.356 139 1HD LYS 14 HD2 LYS 14 -8.021 4.267 -1.722 140 2HD LYS 14 HD1 LYS 14 -8.171 4.108 -3.473 141 1HE LYS 14 HE2 LYS 14 -8.030 1.731 -1.637 142 2HE LYS 14 HE1 LYS 14 -9.553 2.516 -2.054 143 1HZ LYS 14 HZ1 LYS 14 -9.498 1.712 -4.147 144 2HZ LYS 14 HZ2 LYS 14 -8.537 0.511 -3.445 145 3HZ LYS 14 HZ3 LYS 14 -7.813 1.795 -4.274 146 H ILE 15 HN ILE 15 -5.836 3.253 1.799 147 HA ILE 15 HA ILE 15 -8.599 3.736 2.129 148 HB ILE 15 HB ILE 15 -6.584 3.246 4.327 149 1HG1 ILE 15 HG12 ILE 15 -8.127 1.258 2.644 150 2HG1 ILE 15 HG11 ILE 15 -6.388 1.529 2.587 151 1HG2 ILE 15 HG21 ILE 15 -9.182 3.928 4.594 152 2HG2 ILE 15 HG22 ILE 15 -8.308 2.909 5.738 153 3HG2 ILE 15 HG23 ILE 15 -9.320 2.173 4.495 154 1HD1 ILE 15 HD11 ILE 15 -7.475 -0.447 3.967 155 2HD1 ILE 15 HD12 ILE 15 -7.566 0.808 5.203 156 3HD1 ILE 15 HD13 ILE 15 -6.008 0.376 4.498 157 H GLN 16 HN GLN 16 -5.733 5.554 2.980 158 HA GLN 16 HA GLN 16 -6.977 7.399 4.732 159 1HB GLN 16 HB2 GLN 16 -4.539 7.854 3.001 160 2HB GLN 16 HB1 GLN 16 -4.982 8.749 4.448 161 1HG GLN 16 HG2 GLN 16 -4.530 5.801 4.589 162 2HG GLN 16 HG1 GLN 16 -3.163 6.915 4.574 163 1HE2 GLN 16 HE21 GLN 16 -2.775 8.206 6.338 164 2HE2 GLN 16 HE22 GLN 16 -3.584 8.000 7.851 165 H ASN 17 HN ASN 17 -6.676 7.169 1.263 166 HA ASN 17 HA ASN 17 -7.417 9.837 0.650 167 1HB ASN 17 HB2 ASN 17 -6.283 8.348 -0.963 168 2HB ASN 17 HB1 ASN 17 -7.724 7.338 -1.030 169 1HD2 ASN 17 HD21 ASN 17 -9.170 7.777 -2.535 170 2HD2 ASN 17 HD22 ASN 17 -9.267 9.241 -3.447 171 H TRP 18 HN TRP 18 -9.211 6.905 1.323 172 HA TRP 18 HA TRP 18 -11.733 7.908 0.420 173 1HB TRP 18 HB2 TRP 18 -10.869 5.429 0.917 174 2HB TRP 18 HB1 TRP 18 -11.615 5.759 2.478 175 HD1 TRP 18 HD1 TRP 18 -12.982 6.852 -0.971 176 HE1 TRP 18 HE1 TRP 18 -15.322 5.822 -1.266 177 HE3 TRP 18 HE3 TRP 18 -13.165 4.024 3.284 178 HZ2 TRP 18 HZ2 TRP 18 -17.021 4.045 0.122 179 HZ3 TRP 18 HZ3 TRP 18 -15.184 2.689 3.726 180 HH2 TRP 18 HH2 TRP 18 -17.071 2.701 2.177 181 H LYS 19 HN LYS 19 -9.944 8.015 3.411 182 HA LYS 19 HA LYS 19 -12.137 8.782 5.067 183 1HB LYS 19 HB2 LYS 19 -9.544 7.966 5.514 184 2HB LYS 19 HB1 LYS 19 -9.484 9.671 5.941 185 1HG LYS 19 HG2 LYS 19 -11.488 9.252 7.412 186 2HG LYS 19 HG1 LYS 19 -11.227 7.531 7.126 187 1HD LYS 19 HD2 LYS 19 -9.845 7.592 8.880 188 2HD LYS 19 HD1 LYS 19 -8.720 8.451 7.827 189 1HE LYS 19 HE2 LYS 19 -10.847 9.924 9.340 190 2HE LYS 19 HE1 LYS 19 -9.327 9.483 10.117 191 1HZ LYS 19 HZ1 LYS 19 -8.137 10.908 8.809 192 2HZ LYS 19 HZ2 LYS 19 -9.593 11.764 8.912 193 3HZ LYS 19 HZ3 LYS 19 -9.241 10.859 7.527 194 1HN NH2 20 NH1 NH2 20 -11.286 10.973 6.443 195 2HN NH2 20 NH2 NH2 20 -11.334 12.372 5.432 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 10.448 -9.355 -8.743 2 2H ALA 1 HT2 ALA 1 9.794 -10.524 -7.669 3 3H ALA 1 HT3 ALA 1 11.465 -10.134 -7.603 4 HA ALA 1 HA ALA 1 11.105 -8.102 -6.688 5 1HB ALA 1 HB1 ALA 1 8.418 -8.388 -7.916 6 2HB ALA 1 HB2 ALA 1 9.519 -7.011 -7.908 7 3HB ALA 1 HB3 ALA 1 8.567 -7.387 -6.472 8 H LYS 2 HN LYS 2 11.666 -8.887 -4.735 9 HA LYS 2 HA LYS 2 9.728 -10.490 -3.238 10 1HB LYS 2 HB2 LYS 2 12.039 -11.337 -3.428 11 2HB LYS 2 HB1 LYS 2 12.624 -9.891 -2.617 12 1HG LYS 2 HG2 LYS 2 11.917 -10.580 -0.572 13 2HG LYS 2 HG1 LYS 2 10.555 -11.491 -1.227 14 1HD LYS 2 HD2 LYS 2 13.343 -12.406 -1.784 15 2HD LYS 2 HD1 LYS 2 12.615 -12.742 -0.212 16 1HE LYS 2 HE2 LYS 2 10.730 -13.841 -1.326 17 2HE LYS 2 HE1 LYS 2 11.466 -13.509 -2.894 18 1HZ LYS 2 HZ1 LYS 2 12.250 -15.451 -0.846 19 2HZ LYS 2 HZ2 LYS 2 13.465 -14.776 -1.809 20 3HZ LYS 2 HZ3 LYS 2 12.190 -15.623 -2.528 21 H LYS 3 HN LYS 3 10.507 -7.293 -3.582 22 HA LYS 3 HA LYS 3 9.758 -6.684 -0.789 23 1HB LYS 3 HB2 LYS 3 12.060 -5.913 -1.763 24 2HB LYS 3 HB1 LYS 3 11.104 -4.697 -2.600 25 1HG LYS 3 HG2 LYS 3 10.488 -3.640 -0.635 26 2HG LYS 3 HG1 LYS 3 10.828 -5.062 0.353 27 1HD LYS 3 HD2 LYS 3 12.729 -3.973 0.863 28 2HD LYS 3 HD1 LYS 3 13.278 -4.560 -0.708 29 1HE LYS 3 HE2 LYS 3 13.404 -2.489 -1.511 30 2HE LYS 3 HE1 LYS 3 11.751 -2.136 -1.007 31 1HZ LYS 3 HZ1 LYS 3 12.831 -0.660 0.294 32 2HZ LYS 3 HZ2 LYS 3 14.268 -1.549 0.336 33 3HZ LYS 3 HZ3 LYS 3 12.972 -1.992 1.328 34 H VAL 4 HN VAL 4 7.864 -7.339 -2.718 35 HA VAL 4 HA VAL 4 6.651 -5.010 -3.836 36 HB VAL 4 HB VAL 4 5.231 -7.550 -3.006 37 1HG1 VAL 4 HG11 VAL 4 4.006 -6.720 -5.253 38 2HG1 VAL 4 HG12 VAL 4 4.521 -5.168 -4.593 39 3HG1 VAL 4 HG13 VAL 4 3.502 -6.239 -3.633 40 1HG2 VAL 4 HG21 VAL 4 6.731 -6.946 -5.550 41 2HG2 VAL 4 HG22 VAL 4 5.611 -8.294 -5.355 42 3HG2 VAL 4 HG23 VAL 4 7.079 -8.218 -4.380 43 H PHE 5 HN PHE 5 7.127 -6.181 -0.769 44 HA PHE 5 HA PHE 5 4.990 -5.652 0.786 45 1HB PHE 5 HB2 PHE 5 7.219 -6.556 1.477 46 2HB PHE 5 HB1 PHE 5 7.850 -4.919 1.411 47 HD1 PHE 5 HD1 PHE 5 7.173 -3.255 3.068 48 HD2 PHE 5 HD2 PHE 5 5.805 -7.279 3.283 49 HE1 PHE 5 HE1 PHE 5 6.476 -2.889 5.400 50 HE2 PHE 5 HE2 PHE 5 5.105 -6.921 5.615 51 HZ PHE 5 HZ PHE 5 5.440 -4.723 6.676 52 H LYS 6 HN LYS 6 6.977 -3.403 -0.843 53 HA LYS 6 HA LYS 6 6.279 -1.073 0.610 54 1HB LYS 6 HB2 LYS 6 8.155 -1.546 -1.228 55 2HB LYS 6 HB1 LYS 6 6.924 -0.883 -2.295 56 1HG LYS 6 HG2 LYS 6 7.227 1.206 -1.550 57 2HG LYS 6 HG1 LYS 6 7.387 0.690 0.130 58 1HD LYS 6 HD2 LYS 6 9.670 0.228 -0.109 59 2HD LYS 6 HD1 LYS 6 9.569 0.193 -1.871 60 1HE LYS 6 HE2 LYS 6 9.755 2.434 -2.054 61 2HE LYS 6 HE1 LYS 6 8.785 2.735 -0.613 62 1HZ LYS 6 HZ1 LYS 6 10.599 2.638 0.742 63 2HZ LYS 6 HZ2 LYS 6 11.337 3.243 -0.655 64 3HZ LYS 6 HZ3 LYS 6 11.465 1.599 -0.275 65 H ARG 7 HN ARG 7 4.916 -2.708 -2.195 66 HA ARG 7 HA ARG 7 3.031 -0.755 -2.916 67 1HB ARG 7 HB2 ARG 7 3.684 -3.389 -3.712 68 2HB ARG 7 HB1 ARG 7 1.970 -3.398 -3.319 69 1HG ARG 7 HG2 ARG 7 2.663 -1.079 -4.889 70 2HG ARG 7 HG1 ARG 7 3.148 -2.571 -5.697 71 1HD ARG 7 HD2 ARG 7 0.512 -2.808 -4.529 72 2HD ARG 7 HD1 ARG 7 0.603 -1.440 -5.638 73 HE ARG 7 HE ARG 7 0.731 -4.236 -6.311 74 1HH1 ARG 7 HH11 ARG 7 1.526 -0.996 -7.336 75 2HH1 ARG 7 HH12 ARG 7 1.576 -1.406 -9.018 76 1HH2 ARG 7 HH21 ARG 7 0.797 -4.778 -8.522 77 2HH2 ARG 7 HH22 ARG 7 1.162 -3.553 -9.691 78 H LEU 8 HN LEU 8 3.032 -3.260 -0.462 79 HA LEU 8 HA LEU 8 0.306 -3.221 0.200 80 1HB LEU 8 HB2 LEU 8 2.417 -4.668 1.034 81 2HB LEU 8 HB1 LEU 8 2.270 -3.569 2.392 82 HG LEU 8 HG LEU 8 -0.111 -4.276 2.639 83 1HD1 LEU 8 HD11 LEU 8 0.071 -5.210 0.127 84 2HD1 LEU 8 HD12 LEU 8 -1.116 -5.784 1.297 85 3HD1 LEU 8 HD13 LEU 8 0.368 -6.698 1.026 86 1HD2 LEU 8 HD21 LEU 8 1.100 -5.375 4.204 87 2HD2 LEU 8 HD22 LEU 8 2.243 -6.022 3.026 88 3HD2 LEU 8 HD23 LEU 8 0.659 -6.772 3.222 89 H GLU 9 HN GLU 9 3.023 -1.243 1.304 90 HA GLU 9 HA GLU 9 1.530 0.205 3.244 91 1HB GLU 9 HB2 GLU 9 3.999 1.158 1.785 92 2HB GLU 9 HB1 GLU 9 3.419 1.689 3.357 93 1HG GLU 9 HG2 GLU 9 3.779 -0.691 4.139 94 2HG GLU 9 HG1 GLU 9 4.649 -0.948 2.627 95 H LYS 10 HN LYS 10 2.054 0.516 -0.187 96 HA LYS 10 HA LYS 10 1.066 3.175 -0.437 97 1HB LYS 10 HB2 LYS 10 1.153 0.982 -2.520 98 2HB LYS 10 HB1 LYS 10 0.957 2.701 -2.830 99 1HG LYS 10 HG2 LYS 10 3.270 2.688 -1.414 100 2HG LYS 10 HG1 LYS 10 3.376 1.147 -2.267 101 1HD LYS 10 HD2 LYS 10 3.576 2.134 -4.297 102 2HD LYS 10 HD1 LYS 10 2.506 3.471 -3.870 103 1HE LYS 10 HE2 LYS 10 4.210 4.775 -3.228 104 2HE LYS 10 HE1 LYS 10 5.013 3.459 -2.373 105 1HZ LYS 10 HZ1 LYS 10 5.895 2.668 -4.466 106 2HZ LYS 10 HZ2 LYS 10 6.335 4.284 -4.231 107 3HZ LYS 10 HZ3 LYS 10 5.092 3.895 -5.310 108 H LEU 11 HN LEU 11 -0.360 -0.026 -0.438 109 HA LEU 11 HA LEU 11 -2.918 0.717 -1.395 110 1HB LEU 11 HB2 LEU 11 -1.635 -1.649 -0.519 111 2HB LEU 11 HB1 LEU 11 -3.081 -1.472 0.456 112 HG LEU 11 HG LEU 11 -3.279 -1.203 -2.516 113 1HD1 LEU 11 HD11 LEU 11 -2.228 -3.236 -2.582 114 2HD1 LEU 11 HD12 LEU 11 -3.898 -3.744 -2.330 115 3HD1 LEU 11 HD13 LEU 11 -2.776 -3.697 -0.970 116 1HD2 LEU 11 HD21 LEU 11 -5.067 -1.681 -0.212 117 2HD2 LEU 11 HD22 LEU 11 -5.456 -2.531 -1.708 118 3HD2 LEU 11 HD23 LEU 11 -5.344 -0.771 -1.698 119 H PHE 12 HN PHE 12 -1.431 0.686 1.789 120 HA PHE 12 HA PHE 12 -3.798 1.136 3.276 121 1HB PHE 12 HB2 PHE 12 -1.560 0.374 4.194 122 2HB PHE 12 HB1 PHE 12 -1.016 2.041 4.036 123 HD1 PHE 12 HD1 PHE 12 -1.148 3.369 5.897 124 HD2 PHE 12 HD2 PHE 12 -3.888 0.141 5.477 125 HE1 PHE 12 HE1 PHE 12 -2.089 3.886 8.110 126 HE2 PHE 12 HE2 PHE 12 -4.835 0.652 7.690 127 HZ PHE 12 HZ PHE 12 -3.936 2.527 9.009 128 H SER 13 HN SER 13 -1.584 3.220 1.553 129 HA SER 13 HA SER 13 -2.459 5.683 2.637 130 1HB SER 13 HB2 SER 13 -1.382 5.295 -0.159 131 2HB SER 13 HB1 SER 13 -1.249 6.723 0.867 132 HG SER 13 HG SER 13 0.096 4.253 1.082 133 H LYS 14 HN LYS 14 -3.641 3.602 0.088 134 HA LYS 14 HA LYS 14 -5.387 5.457 -1.139 135 1HB LYS 14 HB2 LYS 14 -4.589 2.938 -1.736 136 2HB LYS 14 HB1 LYS 14 -6.197 2.612 -1.106 137 1HG LYS 14 HG2 LYS 14 -6.850 4.580 -2.742 138 2HG LYS 14 HG1 LYS 14 -5.375 4.061 -3.559 139 1HD LYS 14 HD2 LYS 14 -6.260 2.060 -4.179 140 2HD LYS 14 HD1 LYS 14 -7.277 1.943 -2.741 141 1HE LYS 14 HE2 LYS 14 -8.958 2.436 -4.139 142 2HE LYS 14 HE1 LYS 14 -8.367 4.091 -4.011 143 1HZ LYS 14 HZ1 LYS 14 -8.003 4.052 -6.181 144 2HZ LYS 14 HZ2 LYS 14 -8.464 2.428 -6.282 145 3HZ LYS 14 HZ3 LYS 14 -6.851 2.830 -5.972 146 H ILE 15 HN ILE 15 -5.704 3.295 1.613 147 HA ILE 15 HA ILE 15 -8.507 3.574 1.938 148 HB ILE 15 HB ILE 15 -6.488 2.999 4.110 149 1HG1 ILE 15 HG12 ILE 15 -7.879 1.083 2.223 150 2HG1 ILE 15 HG11 ILE 15 -6.160 1.467 2.222 151 1HG2 ILE 15 HG21 ILE 15 -8.222 2.213 5.399 152 2HG2 ILE 15 HG22 ILE 15 -9.259 1.900 4.007 153 3HG2 ILE 15 HG23 ILE 15 -9.001 3.555 4.560 154 1HD1 ILE 15 HD11 ILE 15 -7.632 -0.435 3.819 155 2HD1 ILE 15 HD12 ILE 15 -6.658 0.648 4.813 156 3HD1 ILE 15 HD13 ILE 15 -5.897 -0.298 3.533 157 H GLN 16 HN GLN 16 -5.743 5.453 2.971 158 HA GLN 16 HA GLN 16 -7.126 7.072 4.856 159 1HB GLN 16 HB2 GLN 16 -4.479 6.744 4.063 160 2HB GLN 16 HB1 GLN 16 -4.868 8.383 3.559 161 1HG GLN 16 HG2 GLN 16 -5.328 9.072 5.740 162 2HG GLN 16 HG1 GLN 16 -5.483 7.417 6.325 163 1HE2 GLN 16 HE21 GLN 16 -3.880 6.883 7.606 164 2HE2 GLN 16 HE22 GLN 16 -2.228 7.357 7.434 165 H ASN 17 HN ASN 17 -6.660 7.180 1.398 166 HA ASN 17 HA ASN 17 -7.530 9.874 1.043 167 1HB ASN 17 HB2 ASN 17 -6.140 8.637 -0.615 168 2HB ASN 17 HB1 ASN 17 -7.528 7.613 -0.968 169 1HD2 ASN 17 HD21 ASN 17 -6.530 8.815 -3.055 170 2HD2 ASN 17 HD22 ASN 17 -7.485 10.164 -3.560 171 H TRP 18 HN TRP 18 -9.110 6.774 1.284 172 HA TRP 18 HA TRP 18 -11.640 7.715 0.285 173 1HB TRP 18 HB2 TRP 18 -10.739 5.299 0.237 174 2HB TRP 18 HB1 TRP 18 -11.239 5.221 1.924 175 HD1 TRP 18 HD1 TRP 18 -13.033 6.512 -1.282 176 HE1 TRP 18 HE1 TRP 18 -15.390 5.479 -1.328 177 HE3 TRP 18 HE3 TRP 18 -12.777 3.713 2.989 178 HZ2 TRP 18 HZ2 TRP 18 -16.937 3.713 0.239 179 HZ3 TRP 18 HZ3 TRP 18 -14.739 2.381 3.645 180 HH2 TRP 18 HH2 TRP 18 -16.775 2.382 2.298 181 H LYS 19 HN LYS 19 -10.068 7.422 3.386 182 HA LYS 19 HA LYS 19 -12.361 7.642 5.022 183 1HB LYS 19 HB2 LYS 19 -10.182 6.864 5.859 184 2HB LYS 19 HB1 LYS 19 -9.512 8.470 5.606 185 1HG LYS 19 HG2 LYS 19 -10.964 9.395 7.285 186 2HG LYS 19 HG1 LYS 19 -11.790 7.847 7.472 187 1HD LYS 19 HD2 LYS 19 -8.878 7.722 7.809 188 2HD LYS 19 HD1 LYS 19 -9.713 8.704 9.015 189 1HE LYS 19 HE2 LYS 19 -10.964 6.110 8.407 190 2HE LYS 19 HE1 LYS 19 -9.386 6.023 9.189 191 1HZ LYS 19 HZ1 LYS 19 -11.783 7.459 10.191 192 2HZ LYS 19 HZ2 LYS 19 -10.255 7.535 10.912 193 3HZ LYS 19 HZ3 LYS 19 -11.088 6.064 10.851 194 1HN NH2 20 NH1 NH2 20 -10.263 10.007 3.513 195 2HN NH2 20 NH2 NH2 20 -11.190 11.400 3.945 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 9.240 -8.373 -5.426 2 2H ALA 1 HT2 ALA 1 8.028 -8.390 -4.211 3 3H ALA 1 HT3 ALA 1 7.641 -8.850 -5.818 4 HA ALA 1 HA ALA 1 7.810 -10.833 -4.791 5 1HB ALA 1 HB1 ALA 1 10.686 -10.529 -5.551 6 2HB ALA 1 HB2 ALA 1 9.422 -10.411 -6.775 7 3HB ALA 1 HB3 ALA 1 9.593 -11.886 -5.824 8 H LYS 2 HN LYS 2 10.892 -9.246 -3.936 9 HA LYS 2 HA LYS 2 10.866 -10.656 -1.382 10 1HB LYS 2 HB2 LYS 2 13.177 -9.928 -1.158 11 2HB LYS 2 HB1 LYS 2 12.926 -10.687 -2.724 12 1HG LYS 2 HG2 LYS 2 14.033 -8.898 -3.491 13 2HG LYS 2 HG1 LYS 2 12.465 -8.101 -3.351 14 1HD LYS 2 HD2 LYS 2 13.721 -6.610 -2.176 15 2HD LYS 2 HD1 LYS 2 13.321 -7.719 -0.863 16 1HE LYS 2 HE2 LYS 2 15.549 -7.718 -0.529 17 2HE LYS 2 HE1 LYS 2 15.542 -8.900 -1.837 18 1HZ LYS 2 HZ1 LYS 2 17.100 -6.831 -1.926 19 2HZ LYS 2 HZ2 LYS 2 15.717 -6.048 -2.507 20 3HZ LYS 2 HZ3 LYS 2 16.340 -7.386 -3.333 21 H LYS 3 HN LYS 3 9.701 -7.782 -2.524 22 HA LYS 3 HA LYS 3 9.173 -6.742 0.052 23 1HB LYS 3 HB2 LYS 3 11.654 -6.161 -0.308 24 2HB LYS 3 HB1 LYS 3 11.088 -5.022 -1.521 25 1HG LYS 3 HG2 LYS 3 9.785 -3.846 0.153 26 2HG LYS 3 HG1 LYS 3 10.275 -5.017 1.379 27 1HD LYS 3 HD2 LYS 3 12.641 -4.071 0.169 28 2HD LYS 3 HD1 LYS 3 11.634 -2.657 0.484 29 1HE LYS 3 HE2 LYS 3 11.716 -4.586 2.686 30 2HE LYS 3 HE1 LYS 3 13.279 -3.865 2.303 31 1HZ LYS 3 HZ1 LYS 3 12.517 -2.275 3.685 32 2HZ LYS 3 HZ2 LYS 3 10.888 -2.632 3.409 33 3HZ LYS 3 HZ3 LYS 3 11.750 -1.703 2.289 34 H VAL 4 HN VAL 4 7.700 -7.385 -2.217 35 HA VAL 4 HA VAL 4 6.942 -5.070 -3.693 36 HB VAL 4 HB VAL 4 6.322 -7.319 -4.474 37 1HG1 VAL 4 HG11 VAL 4 5.966 -8.376 -2.308 38 2HG1 VAL 4 HG12 VAL 4 4.561 -8.595 -3.351 39 3HG1 VAL 4 HG13 VAL 4 4.519 -7.398 -2.057 40 1HG2 VAL 4 HG21 VAL 4 3.629 -6.286 -3.976 41 2HG2 VAL 4 HG22 VAL 4 4.478 -6.558 -5.497 42 3HG2 VAL 4 HG23 VAL 4 4.764 -5.079 -4.580 43 H PHE 5 HN PHE 5 6.628 -6.077 -0.535 44 HA PHE 5 HA PHE 5 4.281 -5.229 0.484 45 1HB PHE 5 HB2 PHE 5 6.218 -6.297 1.678 46 2HB PHE 5 HB1 PHE 5 6.992 -4.720 1.706 47 HD1 PHE 5 HD1 PHE 5 6.528 -3.194 3.412 48 HD2 PHE 5 HD2 PHE 5 3.961 -6.539 2.835 49 HE1 PHE 5 HE1 PHE 5 5.360 -2.655 5.510 50 HE2 PHE 5 HE2 PHE 5 2.788 -6.006 4.931 51 HZ PHE 5 HZ PHE 5 3.487 -4.062 6.272 52 H LYS 6 HN LYS 6 6.812 -3.317 -0.775 53 HA LYS 6 HA LYS 6 6.127 -0.827 0.375 54 1HB LYS 6 HB2 LYS 6 8.220 -1.690 -1.105 55 2HB LYS 6 HB1 LYS 6 7.310 -0.835 -2.342 56 1HG LYS 6 HG2 LYS 6 7.668 1.204 -1.399 57 2HG LYS 6 HG1 LYS 6 7.769 0.553 0.238 58 1HD LYS 6 HD2 LYS 6 9.990 0.426 0.119 59 2HD LYS 6 HD1 LYS 6 9.912 -0.470 -1.398 60 1HE LYS 6 HE2 LYS 6 11.160 1.575 -1.719 61 2HE LYS 6 HE1 LYS 6 9.641 1.657 -2.611 62 1HZ LYS 6 HZ1 LYS 6 10.293 2.988 -0.042 63 2HZ LYS 6 HZ2 LYS 6 8.728 2.918 -0.682 64 3HZ LYS 6 HZ3 LYS 6 9.951 3.725 -1.527 65 H ARG 7 HN ARG 7 5.196 -2.454 -2.623 66 HA ARG 7 HA ARG 7 3.698 -0.341 -3.725 67 1HB ARG 7 HB2 ARG 7 3.978 -3.236 -4.184 68 2HB ARG 7 HB1 ARG 7 2.411 -2.577 -4.637 69 1HG ARG 7 HG2 ARG 7 3.901 -0.759 -5.827 70 2HG ARG 7 HG1 ARG 7 5.097 -2.056 -5.790 71 1HD ARG 7 HD2 ARG 7 4.085 -3.135 -7.453 72 2HD ARG 7 HD1 ARG 7 2.523 -3.047 -6.638 73 HE ARG 7 HE ARG 7 2.923 -0.544 -7.671 74 1HH1 ARG 7 HH11 ARG 7 2.803 -3.777 -8.979 75 2HH1 ARG 7 HH12 ARG 7 2.200 -3.266 -10.519 76 1HH2 ARG 7 HH21 ARG 7 2.129 0.130 -9.697 77 2HH2 ARG 7 HH22 ARG 7 1.817 -1.048 -10.928 78 H LEU 8 HN LEU 8 2.952 -2.795 -1.342 79 HA LEU 8 HA LEU 8 0.149 -2.436 -1.305 80 1HB LEU 8 HB2 LEU 8 2.162 -3.611 0.561 81 2HB LEU 8 HB1 LEU 8 0.546 -3.294 1.164 82 HG LEU 8 HG LEU 8 0.664 -4.774 -1.385 83 1HD1 LEU 8 HD11 LEU 8 2.508 -5.879 -0.400 84 2HD1 LEU 8 HD12 LEU 8 1.106 -6.915 -0.129 85 3HD1 LEU 8 HD13 LEU 8 1.732 -5.916 1.183 86 1HD2 LEU 8 HD21 LEU 8 -1.469 -4.765 -0.637 87 2HD2 LEU 8 HD22 LEU 8 -0.992 -4.607 1.053 88 3HD2 LEU 8 HD23 LEU 8 -0.919 -6.180 0.260 89 H GLU 9 HN GLU 9 2.810 -0.707 0.135 90 HA GLU 9 HA GLU 9 1.299 0.725 2.065 91 1HB GLU 9 HB2 GLU 9 3.942 0.443 1.629 92 2HB GLU 9 HB1 GLU 9 3.694 2.009 0.868 93 1HG GLU 9 HG2 GLU 9 2.832 2.929 2.908 94 2HG GLU 9 HG1 GLU 9 2.872 1.347 3.685 95 H LYS 10 HN LYS 10 1.961 1.158 -1.337 96 HA LYS 10 HA LYS 10 1.066 3.857 -1.495 97 1HB LYS 10 HB2 LYS 10 1.078 1.814 -3.723 98 2HB LYS 10 HB1 LYS 10 1.117 3.565 -3.884 99 1HG LYS 10 HG2 LYS 10 3.336 3.659 -2.983 100 2HG LYS 10 HG1 LYS 10 3.300 1.936 -2.604 101 1HD LYS 10 HD2 LYS 10 3.469 1.313 -4.834 102 2HD LYS 10 HD1 LYS 10 2.880 2.871 -5.416 103 1HE LYS 10 HE2 LYS 10 4.921 3.865 -5.239 104 2HE LYS 10 HE1 LYS 10 5.410 2.863 -3.873 105 1HZ LYS 10 HZ1 LYS 10 5.470 0.988 -5.598 106 2HZ LYS 10 HZ2 LYS 10 6.730 2.116 -5.604 107 3HZ LYS 10 HZ3 LYS 10 5.493 2.226 -6.752 108 H LEU 11 HN LEU 11 -0.470 0.720 -2.199 109 HA LEU 11 HA LEU 11 -2.996 1.878 -2.831 110 1HB LEU 11 HB2 LEU 11 -3.868 -0.424 -2.606 111 2HB LEU 11 HB1 LEU 11 -2.466 -0.327 -3.654 112 HG LEU 11 HG LEU 11 -1.134 -1.010 -1.528 113 1HD1 LEU 11 HD11 LEU 11 -2.864 -2.708 -0.347 114 2HD1 LEU 11 HD12 LEU 11 -3.932 -1.348 -0.689 115 3HD1 LEU 11 HD13 LEU 11 -2.476 -1.104 0.275 116 1HD2 LEU 11 HD21 LEU 11 -2.693 -2.614 -3.446 117 2HD2 LEU 11 HD22 LEU 11 -2.083 -3.478 -2.035 118 3HD2 LEU 11 HD23 LEU 11 -0.964 -2.622 -3.096 119 H PHE 12 HN PHE 12 -1.374 0.984 0.096 120 HA PHE 12 HA PHE 12 -3.698 0.916 1.757 121 1HB PHE 12 HB2 PHE 12 -1.517 -0.182 2.332 122 2HB PHE 12 HB1 PHE 12 -0.826 1.419 2.571 123 HD1 PHE 12 HD1 PHE 12 -3.712 -0.652 3.703 124 HD2 PHE 12 HD2 PHE 12 -0.816 2.305 4.691 125 HE1 PHE 12 HE1 PHE 12 -4.496 -0.669 6.035 126 HE2 PHE 12 HE2 PHE 12 -1.594 2.294 7.025 127 HZ PHE 12 HZ PHE 12 -3.436 0.805 7.700 128 H SER 13 HN SER 13 -1.507 3.367 0.586 129 HA SER 13 HA SER 13 -2.191 5.405 2.431 130 1HB SER 13 HB2 SER 13 -0.306 5.173 0.485 131 2HB SER 13 HB1 SER 13 -1.465 6.237 -0.314 132 HG SER 13 HG SER 13 0.307 7.119 1.174 133 H LYS 14 HN LYS 14 -3.573 4.310 -0.612 134 HA LYS 14 HA LYS 14 -5.341 6.496 -0.978 135 1HB LYS 14 HB2 LYS 14 -5.578 3.639 -1.946 136 2HB LYS 14 HB1 LYS 14 -6.539 4.990 -2.530 137 1HG LYS 14 HG2 LYS 14 -3.676 5.486 -2.685 138 2HG LYS 14 HG1 LYS 14 -4.190 4.082 -3.621 139 1HD LYS 14 HD2 LYS 14 -6.019 6.289 -3.974 140 2HD LYS 14 HD1 LYS 14 -4.367 6.770 -4.364 141 1HE LYS 14 HE2 LYS 14 -5.520 5.911 -6.334 142 2HE LYS 14 HE1 LYS 14 -4.168 4.871 -5.886 143 1HZ LYS 14 HZ1 LYS 14 -5.710 3.271 -6.117 144 2HZ LYS 14 HZ2 LYS 14 -7.016 4.316 -5.867 145 3HZ LYS 14 HZ3 LYS 14 -6.152 3.713 -4.544 146 H ILE 15 HN ILE 15 -5.591 3.423 0.719 147 HA ILE 15 HA ILE 15 -8.351 3.606 1.332 148 HB ILE 15 HB ILE 15 -6.216 2.163 2.913 149 1HG1 ILE 15 HG12 ILE 15 -7.937 1.099 0.664 150 2HG1 ILE 15 HG11 ILE 15 -6.249 1.563 0.486 151 1HG2 ILE 15 HG21 ILE 15 -8.437 0.660 3.144 152 2HG2 ILE 15 HG22 ILE 15 -9.160 2.264 3.023 153 3HG2 ILE 15 HG23 ILE 15 -7.985 1.920 4.292 154 1HD1 ILE 15 HD11 ILE 15 -7.279 -0.605 2.298 155 2HD1 ILE 15 HD12 ILE 15 -5.590 -0.162 2.055 156 3HD1 ILE 15 HD13 ILE 15 -6.522 -0.848 0.725 157 H GLN 16 HN GLN 16 -5.457 4.931 2.753 158 HA GLN 16 HA GLN 16 -6.584 5.655 5.259 159 1HB GLN 16 HB2 GLN 16 -4.051 5.661 4.175 160 2HB GLN 16 HB1 GLN 16 -4.423 7.377 4.277 161 1HG GLN 16 HG2 GLN 16 -5.118 6.866 6.698 162 2HG GLN 16 HG1 GLN 16 -4.229 5.360 6.477 163 1HE2 GLN 16 HE21 GLN 16 -1.976 5.497 5.940 164 2HE2 GLN 16 HE22 GLN 16 -1.049 6.862 6.452 165 H ASN 17 HN ASN 17 -6.460 7.144 2.096 166 HA ASN 17 HA ASN 17 -7.298 9.737 2.940 167 1HB ASN 17 HB2 ASN 17 -6.293 8.702 0.608 168 2HB ASN 17 HB1 ASN 17 -7.985 8.953 0.189 169 1HD2 ASN 17 HD21 ASN 17 -5.654 10.320 -0.823 170 2HD2 ASN 17 HD22 ASN 17 -5.867 11.995 -0.457 171 H TRP 18 HN TRP 18 -8.939 6.822 1.855 172 HA TRP 18 HA TRP 18 -11.534 8.110 1.851 173 1HB TRP 18 HB2 TRP 18 -10.430 5.783 0.676 174 2HB TRP 18 HB1 TRP 18 -11.712 5.244 1.757 175 HD1 TRP 18 HD1 TRP 18 -11.138 7.284 -1.426 176 HE1 TRP 18 HE1 TRP 18 -13.399 7.614 -2.611 177 HE3 TRP 18 HE3 TRP 18 -14.229 5.378 2.174 178 HZ2 TRP 18 HZ2 TRP 18 -16.131 7.131 -2.089 179 HZ3 TRP 18 HZ3 TRP 18 -16.653 5.349 1.752 180 HH2 TRP 18 HH2 TRP 18 -17.583 6.208 -0.336 181 H LYS 19 HN LYS 19 -9.585 6.176 3.985 182 HA LYS 19 HA LYS 19 -11.523 5.150 5.700 183 1HB LYS 19 HB2 LYS 19 -8.645 5.898 6.020 184 2HB LYS 19 HB1 LYS 19 -9.578 5.469 7.447 185 1HG LYS 19 HG2 LYS 19 -9.804 3.612 5.176 186 2HG LYS 19 HG1 LYS 19 -8.219 3.700 5.946 187 1HD LYS 19 HD2 LYS 19 -9.018 2.267 7.460 188 2HD LYS 19 HD1 LYS 19 -9.980 3.611 8.078 189 1HE LYS 19 HE2 LYS 19 -11.485 2.737 5.965 190 2HE LYS 19 HE1 LYS 19 -10.803 1.234 6.584 191 1HZ LYS 19 HZ1 LYS 19 -12.705 1.455 7.827 192 2HZ LYS 19 HZ2 LYS 19 -12.602 3.140 7.917 193 3HZ LYS 19 HZ3 LYS 19 -11.570 2.180 8.852 194 1HN NH2 20 NH1 NH2 20 -11.380 5.957 8.166 195 2HN NH2 20 NH2 NH2 20 -11.872 7.600 8.371 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 13.413 -10.540 -2.692 2 2H ALA 1 HT2 ALA 1 14.114 -11.114 -4.150 3 3H ALA 1 HT3 ALA 1 12.617 -11.753 -3.604 4 HA ALA 1 HA ALA 1 12.948 -8.907 -4.179 5 1HB ALA 1 HB1 ALA 1 12.609 -11.167 -6.099 6 2HB ALA 1 HB2 ALA 1 13.583 -9.704 -6.245 7 3HB ALA 1 HB3 ALA 1 11.831 -9.619 -6.424 8 H LYS 2 HN LYS 2 11.478 -10.404 -2.155 9 HA LYS 2 HA LYS 2 8.714 -10.232 -3.104 10 1HB LYS 2 HB2 LYS 2 9.915 -12.100 -1.540 11 2HB LYS 2 HB1 LYS 2 9.239 -11.039 -0.312 12 1HG LYS 2 HG2 LYS 2 7.041 -11.249 -1.606 13 2HG LYS 2 HG1 LYS 2 7.810 -12.613 -2.422 14 1HD LYS 2 HD2 LYS 2 8.035 -12.613 0.512 15 2HD LYS 2 HD1 LYS 2 6.398 -12.808 -0.117 16 1HE LYS 2 HE2 LYS 2 8.742 -14.451 -1.052 17 2HE LYS 2 HE1 LYS 2 7.681 -14.942 0.268 18 1HZ LYS 2 HZ1 LYS 2 6.541 -15.921 -1.378 19 2HZ LYS 2 HZ2 LYS 2 7.197 -14.935 -2.586 20 3HZ LYS 2 HZ3 LYS 2 5.907 -14.375 -1.647 21 H LYS 3 HN LYS 3 10.123 -7.807 -2.837 22 HA LYS 3 HA LYS 3 9.054 -6.616 -0.371 23 1HB LYS 3 HB2 LYS 3 11.492 -6.291 -1.565 24 2HB LYS 3 HB1 LYS 3 10.611 -4.914 -2.212 25 1HG LYS 3 HG2 LYS 3 11.580 -4.053 -0.302 26 2HG LYS 3 HG1 LYS 3 9.954 -4.470 0.244 27 1HD LYS 3 HD2 LYS 3 11.126 -6.771 0.819 28 2HD LYS 3 HD1 LYS 3 12.565 -5.752 0.876 29 1HE LYS 3 HE2 LYS 3 11.870 -5.602 3.053 30 2HE LYS 3 HE1 LYS 3 11.026 -4.220 2.355 31 1HZ LYS 3 HZ1 LYS 3 9.959 -6.733 3.358 32 2HZ LYS 3 HZ2 LYS 3 9.221 -6.118 1.966 33 3HZ LYS 3 HZ3 LYS 3 9.280 -5.183 3.375 34 H VAL 4 HN VAL 4 7.234 -7.391 -2.332 35 HA VAL 4 HA VAL 4 6.395 -5.182 -3.928 36 HB VAL 4 HB VAL 4 4.598 -7.339 -2.805 37 1HG1 VAL 4 HG11 VAL 4 3.692 -6.836 -5.286 38 2HG1 VAL 4 HG12 VAL 4 4.355 -5.254 -4.876 39 3HG1 VAL 4 HG13 VAL 4 3.122 -5.986 -3.849 40 1HG2 VAL 4 HG21 VAL 4 5.166 -8.226 -5.286 41 2HG2 VAL 4 HG22 VAL 4 6.015 -8.762 -3.836 42 3HG2 VAL 4 HG23 VAL 4 6.713 -7.500 -4.851 43 H PHE 5 HN PHE 5 6.495 -5.840 -0.673 44 HA PHE 5 HA PHE 5 4.364 -4.836 0.597 45 1HB PHE 5 HB2 PHE 5 6.435 -5.750 1.625 46 2HB PHE 5 HB1 PHE 5 7.249 -4.239 1.251 47 HD1 PHE 5 HD1 PHE 5 6.580 -2.154 2.407 48 HD2 PHE 5 HD2 PHE 5 4.995 -5.947 3.507 49 HE1 PHE 5 HE1 PHE 5 5.834 -1.215 4.556 50 HE2 PHE 5 HE2 PHE 5 4.245 -5.015 5.657 51 HZ PHE 5 HZ PHE 5 4.665 -2.645 6.184 52 H LYS 6 HN LYS 6 6.648 -3.073 -1.241 53 HA LYS 6 HA LYS 6 6.047 -0.474 -0.303 54 1HB LYS 6 HB2 LYS 6 8.034 -1.308 -1.777 55 2HB LYS 6 HB1 LYS 6 6.939 -1.006 -3.120 56 1HG LYS 6 HG2 LYS 6 8.320 0.913 -2.837 57 2HG LYS 6 HG1 LYS 6 6.689 1.332 -2.309 58 1HD LYS 6 HD2 LYS 6 7.727 2.135 -0.483 59 2HD LYS 6 HD1 LYS 6 7.789 0.442 0.013 60 1HE LYS 6 HE2 LYS 6 9.984 1.181 0.284 61 2HE LYS 6 HE1 LYS 6 10.008 0.355 -1.274 62 1HZ LYS 6 HZ1 LYS 6 11.121 2.316 -1.699 63 2HZ LYS 6 HZ2 LYS 6 10.108 3.246 -0.715 64 3HZ LYS 6 HZ3 LYS 6 9.553 2.689 -2.212 65 H ARG 7 HN ARG 7 4.862 -2.370 -3.060 66 HA ARG 7 HA ARG 7 3.102 -0.412 -4.062 67 1HB ARG 7 HB2 ARG 7 3.464 -3.333 -4.401 68 2HB ARG 7 HB1 ARG 7 1.866 -2.705 -4.781 69 1HG ARG 7 HG2 ARG 7 2.991 -1.037 -6.285 70 2HG ARG 7 HG1 ARG 7 4.490 -1.934 -6.029 71 1HD ARG 7 HD2 ARG 7 3.724 -2.923 -7.953 72 2HD ARG 7 HD1 ARG 7 3.020 -3.985 -6.734 73 HE ARG 7 HE ARG 7 0.933 -3.252 -7.338 74 1HH1 ARG 7 HH11 ARG 7 3.333 -1.129 -8.724 75 2HH1 ARG 7 HH12 ARG 7 2.193 -0.287 -9.719 76 1HH2 ARG 7 HH21 ARG 7 -0.566 -2.145 -8.647 77 2HH2 ARG 7 HH22 ARG 7 -0.020 -0.863 -9.675 78 H LEU 8 HN LEU 8 2.774 -2.895 -1.591 79 HA LEU 8 HA LEU 8 -0.014 -2.653 -1.205 80 1HB LEU 8 HB2 LEU 8 2.265 -3.747 0.378 81 2HB LEU 8 HB1 LEU 8 0.742 -3.473 1.202 82 HG LEU 8 HG LEU 8 -0.162 -4.847 -0.923 83 1HD1 LEU 8 HD11 LEU 8 1.646 -6.806 -0.924 84 2HD1 LEU 8 HD12 LEU 8 2.728 -5.430 -0.704 85 3HD1 LEU 8 HD13 LEU 8 1.657 -5.495 -2.104 86 1HD2 LEU 8 HD21 LEU 8 -0.616 -5.381 1.401 87 2HD2 LEU 8 HD22 LEU 8 1.014 -6.027 1.591 88 3HD2 LEU 8 HD23 LEU 8 -0.136 -6.833 0.523 89 H GLU 9 HN GLU 9 2.758 -0.898 0.032 90 HA GLU 9 HA GLU 9 1.385 0.519 2.066 91 1HB GLU 9 HB2 GLU 9 3.996 0.265 1.381 92 2HB GLU 9 HB1 GLU 9 3.658 1.864 0.732 93 1HG GLU 9 HG2 GLU 9 3.709 2.781 2.747 94 2HG GLU 9 HG1 GLU 9 2.591 1.581 3.394 95 H LYS 10 HN LYS 10 1.785 0.985 -1.374 96 HA LYS 10 HA LYS 10 0.859 3.678 -1.440 97 1HB LYS 10 HB2 LYS 10 1.186 1.522 -3.511 98 2HB LYS 10 HB1 LYS 10 0.392 3.038 -3.913 99 1HG LYS 10 HG2 LYS 10 2.523 4.128 -2.921 100 2HG LYS 10 HG1 LYS 10 3.240 2.535 -3.173 101 1HD LYS 10 HD2 LYS 10 1.984 2.967 -5.557 102 2HD LYS 10 HD1 LYS 10 2.490 4.599 -5.117 103 1HE LYS 10 HE2 LYS 10 4.246 2.158 -5.343 104 2HE LYS 10 HE1 LYS 10 4.216 3.542 -6.435 105 1HZ LYS 10 HZ1 LYS 10 4.992 3.636 -3.569 106 2HZ LYS 10 HZ2 LYS 10 5.002 4.943 -4.642 107 3HZ LYS 10 HZ3 LYS 10 6.068 3.651 -4.875 108 H LEU 11 HN LEU 11 -0.675 0.519 -1.911 109 HA LEU 11 HA LEU 11 -3.255 1.555 -2.482 110 1HB LEU 11 HB2 LEU 11 -2.183 -0.883 -2.709 111 2HB LEU 11 HB1 LEU 11 -2.967 -1.094 -1.155 112 HG LEU 11 HG LEU 11 -5.092 -0.227 -2.342 113 1HD1 LEU 11 HD11 LEU 11 -3.283 -0.824 -4.659 114 2HD1 LEU 11 HD12 LEU 11 -4.287 0.598 -4.375 115 3HD1 LEU 11 HD13 LEU 11 -5.038 -0.942 -4.794 116 1HD2 LEU 11 HD21 LEU 11 -4.215 -2.688 -1.727 117 2HD2 LEU 11 HD22 LEU 11 -4.374 -2.855 -3.476 118 3HD2 LEU 11 HD23 LEU 11 -5.767 -2.376 -2.505 119 H PHE 12 HN PHE 12 -1.507 0.816 0.450 120 HA PHE 12 HA PHE 12 -3.739 0.933 2.210 121 1HB PHE 12 HB2 PHE 12 -1.565 -0.134 2.798 122 2HB PHE 12 HB1 PHE 12 -0.823 1.462 2.827 123 HD1 PHE 12 HD1 PHE 12 -1.317 3.033 4.611 124 HD2 PHE 12 HD2 PHE 12 -3.032 -0.862 4.561 125 HE1 PHE 12 HE1 PHE 12 -1.954 3.288 6.973 126 HE2 PHE 12 HE2 PHE 12 -3.673 -0.614 6.923 127 HZ PHE 12 HZ PHE 12 -3.135 1.463 8.132 128 H SER 13 HN SER 13 -1.601 3.287 0.773 129 HA SER 13 HA SER 13 -2.236 5.452 2.494 130 1HB SER 13 HB2 SER 13 -1.351 5.621 -0.396 131 2HB SER 13 HB1 SER 13 -1.170 6.858 0.848 132 HG SER 13 HG SER 13 0.760 5.887 0.846 133 H LYS 14 HN LYS 14 -3.704 4.117 -0.399 134 HA LYS 14 HA LYS 14 -5.463 6.288 -0.905 135 1HB LYS 14 HB2 LYS 14 -4.813 4.340 -2.468 136 2HB LYS 14 HB1 LYS 14 -6.051 3.423 -1.620 137 1HG LYS 14 HG2 LYS 14 -7.773 4.739 -2.441 138 2HG LYS 14 HG1 LYS 14 -6.694 6.082 -2.826 139 1HD LYS 14 HD2 LYS 14 -6.072 3.586 -4.235 140 2HD LYS 14 HD1 LYS 14 -7.649 4.272 -4.631 141 1HE LYS 14 HE2 LYS 14 -6.098 6.489 -4.706 142 2HE LYS 14 HE1 LYS 14 -4.943 5.263 -5.229 143 1HZ LYS 14 HZ1 LYS 14 -6.032 4.934 -7.156 144 2HZ LYS 14 HZ2 LYS 14 -6.613 6.498 -6.880 145 3HZ LYS 14 HZ3 LYS 14 -7.565 5.160 -6.477 146 H ILE 15 HN ILE 15 -5.619 3.429 1.114 147 HA ILE 15 HA ILE 15 -8.381 3.597 1.740 148 HB ILE 15 HB ILE 15 -6.186 2.395 3.434 149 1HG1 ILE 15 HG12 ILE 15 -7.902 1.055 1.333 150 2HG1 ILE 15 HG11 ILE 15 -6.222 1.526 1.096 151 1HG2 ILE 15 HG21 ILE 15 -7.927 1.052 4.417 152 2HG2 ILE 15 HG22 ILE 15 -9.128 1.748 3.329 153 3HG2 ILE 15 HG23 ILE 15 -8.363 2.755 4.558 154 1HD1 ILE 15 HD11 ILE 15 -5.533 -0.006 2.851 155 2HD1 ILE 15 HD12 ILE 15 -6.439 -0.847 1.593 156 3HD1 ILE 15 HD13 ILE 15 -7.215 -0.458 3.128 157 H GLN 16 HN GLN 16 -5.509 5.155 2.959 158 HA GLN 16 HA GLN 16 -6.633 6.119 5.388 159 1HB GLN 16 HB2 GLN 16 -4.165 6.588 3.821 160 2HB GLN 16 HB1 GLN 16 -4.666 7.903 4.876 161 1HG GLN 16 HG2 GLN 16 -4.514 5.120 5.939 162 2HG GLN 16 HG1 GLN 16 -3.045 6.077 5.749 163 1HE2 GLN 16 HE21 GLN 16 -2.526 7.475 7.296 164 2HE2 GLN 16 HE22 GLN 16 -3.545 7.937 8.612 165 H ASN 17 HN ASN 17 -6.484 7.315 2.089 166 HA ASN 17 HA ASN 17 -7.451 9.932 2.697 167 1HB ASN 17 HB2 ASN 17 -6.613 8.466 0.346 168 2HB ASN 17 HB1 ASN 17 -8.092 9.366 0.022 169 1HD2 ASN 17 HD21 ASN 17 -7.810 11.598 1.496 170 2HD2 ASN 17 HD22 ASN 17 -6.441 12.508 0.966 171 H TRP 18 HN TRP 18 -8.913 6.848 2.005 172 HA TRP 18 HA TRP 18 -11.553 7.970 1.610 173 1HB TRP 18 HB2 TRP 18 -10.898 5.974 0.352 174 2HB TRP 18 HB1 TRP 18 -10.632 5.097 1.855 175 HD1 TRP 18 HD1 TRP 18 -13.725 7.261 1.756 176 HE1 TRP 18 HE1 TRP 18 -15.810 5.761 1.589 177 HE3 TRP 18 HE3 TRP 18 -11.435 2.785 0.828 178 HZ2 TRP 18 HZ2 TRP 18 -16.405 3.041 1.126 179 HZ3 TRP 18 HZ3 TRP 18 -12.834 0.782 0.536 180 HH2 TRP 18 HH2 TRP 18 -15.268 0.909 0.682 181 H LYS 19 HN LYS 19 -9.681 6.496 4.163 182 HA LYS 19 HA LYS 19 -11.937 6.124 5.916 183 1HB LYS 19 HB2 LYS 19 -9.049 5.562 5.980 184 2HB LYS 19 HB1 LYS 19 -9.744 5.980 7.540 185 1HG LYS 19 HG2 LYS 19 -10.933 3.872 5.765 186 2HG LYS 19 HG1 LYS 19 -9.664 3.523 6.942 187 1HD LYS 19 HD2 LYS 19 -11.341 4.849 8.533 188 2HD LYS 19 HD1 LYS 19 -12.512 4.237 7.364 189 1HE LYS 19 HE2 LYS 19 -11.090 2.002 7.794 190 2HE LYS 19 HE1 LYS 19 -10.876 2.792 9.356 191 1HZ LYS 19 HZ1 LYS 19 -12.796 1.444 9.505 192 2HZ LYS 19 HZ2 LYS 19 -13.430 2.037 8.053 193 3HZ LYS 19 HZ3 LYS 19 -13.347 3.041 9.412 194 1HN NH2 20 NH1 NH2 20 -11.285 7.014 8.312 195 2HN NH2 20 NH2 NH2 20 -11.157 8.737 8.355 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 7.500 -9.821 -7.618 2 2H ALA 1 HT2 ALA 1 7.015 -8.853 -6.287 3 3H ALA 1 HT3 ALA 1 7.012 -10.564 -6.152 4 HA ALA 1 HA ALA 1 9.449 -10.433 -6.652 5 1HB ALA 1 HB1 ALA 1 8.709 -7.588 -6.371 6 2HB ALA 1 HB2 ALA 1 10.004 -8.341 -7.302 7 3HB ALA 1 HB3 ALA 1 10.191 -8.099 -5.565 8 H LYS 2 HN LYS 2 10.921 -9.689 -4.598 9 HA LYS 2 HA LYS 2 9.530 -10.866 -2.305 10 1HB LYS 2 HB2 LYS 2 11.756 -11.315 -1.407 11 2HB LYS 2 HB1 LYS 2 11.602 -11.959 -3.035 12 1HG LYS 2 HG2 LYS 2 13.584 -10.971 -3.356 13 2HG LYS 2 HG1 LYS 2 12.618 -9.508 -3.560 14 1HD LYS 2 HD2 LYS 2 13.236 -8.656 -1.542 15 2HD LYS 2 HD1 LYS 2 13.381 -10.247 -0.793 16 1HE LYS 2 HE2 LYS 2 15.317 -9.408 -2.911 17 2HE LYS 2 HE1 LYS 2 15.516 -8.827 -1.258 18 1HZ LYS 2 HZ1 LYS 2 16.769 -10.878 -1.740 19 2HZ LYS 2 HZ2 LYS 2 15.311 -11.691 -2.010 20 3HZ LYS 2 HZ3 LYS 2 15.660 -11.070 -0.477 21 H LYS 3 HN LYS 3 9.187 -8.063 -3.099 22 HA LYS 3 HA LYS 3 9.427 -6.881 -0.522 23 1HB LYS 3 HB2 LYS 3 11.789 -6.709 -1.668 24 2HB LYS 3 HB1 LYS 3 11.037 -5.408 -2.581 25 1HG LYS 3 HG2 LYS 3 10.802 -4.061 -0.731 26 2HG LYS 3 HG1 LYS 3 10.834 -5.420 0.394 27 1HD LYS 3 HD2 LYS 3 13.175 -5.680 0.160 28 2HD LYS 3 HD1 LYS 3 13.224 -4.616 -1.247 29 1HE LYS 3 HE2 LYS 3 12.123 -3.400 1.190 30 2HE LYS 3 HE1 LYS 3 13.824 -3.854 1.291 31 1HZ LYS 3 HZ1 LYS 3 14.373 -2.453 -0.475 32 2HZ LYS 3 HZ2 LYS 3 13.285 -1.541 0.445 33 3HZ LYS 3 HZ3 LYS 3 12.767 -2.287 -0.982 34 H VAL 4 HN VAL 4 7.400 -7.403 -2.381 35 HA VAL 4 HA VAL 4 6.599 -5.012 -3.722 36 HB VAL 4 HB VAL 4 5.608 -7.173 -4.338 37 1HG1 VAL 4 HG11 VAL 4 5.289 -8.566 -2.600 38 2HG1 VAL 4 HG12 VAL 4 3.697 -7.811 -2.531 39 3HG1 VAL 4 HG13 VAL 4 4.985 -7.251 -1.465 40 1HG2 VAL 4 HG21 VAL 4 3.235 -5.806 -3.244 41 2HG2 VAL 4 HG22 VAL 4 3.611 -6.280 -4.900 42 3HG2 VAL 4 HG23 VAL 4 4.317 -4.814 -4.221 43 H PHE 5 HN PHE 5 6.891 -5.971 -0.558 44 HA PHE 5 HA PHE 5 4.921 -5.005 0.964 45 1HB PHE 5 HB2 PHE 5 7.017 -6.080 1.741 46 2HB PHE 5 HB1 PHE 5 7.870 -4.577 1.428 47 HD1 PHE 5 HD1 PHE 5 8.198 -3.127 3.179 48 HD2 PHE 5 HD2 PHE 5 4.913 -5.828 3.334 49 HE1 PHE 5 HE1 PHE 5 7.671 -2.348 5.453 50 HE2 PHE 5 HE2 PHE 5 4.379 -5.053 5.608 51 HZ PHE 5 HZ PHE 5 5.758 -3.311 6.670 52 H LYS 6 HN LYS 6 7.127 -3.151 -0.885 53 HA LYS 6 HA LYS 6 6.665 -0.631 0.335 54 1HB LYS 6 HB2 LYS 6 8.442 -1.528 -1.518 55 2HB LYS 6 HB1 LYS 6 7.317 -0.655 -2.550 56 1HG LYS 6 HG2 LYS 6 8.562 1.129 -2.067 57 2HG LYS 6 HG1 LYS 6 7.704 1.126 -0.526 58 1HD LYS 6 HD2 LYS 6 9.584 0.683 0.580 59 2HD LYS 6 HD1 LYS 6 9.902 -0.724 -0.435 60 1HE LYS 6 HE2 LYS 6 11.040 0.610 -2.054 61 2HE LYS 6 HE1 LYS 6 10.535 2.103 -1.261 62 1HZ LYS 6 HZ1 LYS 6 11.825 1.211 0.730 63 2HZ LYS 6 HZ2 LYS 6 12.721 1.795 -0.580 64 3HZ LYS 6 HZ3 LYS 6 12.537 0.128 -0.358 65 H ARG 7 HN ARG 7 5.323 -2.194 -2.558 66 HA ARG 7 HA ARG 7 3.547 -0.126 -3.244 67 1HB ARG 7 HB2 ARG 7 4.046 -2.855 -4.063 68 2HB ARG 7 HB1 ARG 7 2.319 -2.539 -3.982 69 1HG ARG 7 HG2 ARG 7 2.405 -0.910 -5.622 70 2HG ARG 7 HG1 ARG 7 4.133 -0.632 -5.395 71 1HD ARG 7 HD2 ARG 7 4.181 -1.835 -7.337 72 2HD ARG 7 HD1 ARG 7 4.291 -3.148 -6.164 73 HE ARG 7 HE ARG 7 2.239 -3.880 -6.853 74 1HH1 ARG 7 HH11 ARG 7 2.669 -0.589 -7.934 75 2HH1 ARG 7 HH12 ARG 7 1.220 -0.579 -8.882 76 1HH2 ARG 7 HH21 ARG 7 0.333 -3.868 -8.100 77 2HH2 ARG 7 HH22 ARG 7 -0.107 -2.441 -8.977 78 H LEU 8 HN LEU 8 3.386 -2.733 -0.923 79 HA LEU 8 HA LEU 8 0.621 -2.656 -0.396 80 1HB LEU 8 HB2 LEU 8 2.743 -4.164 0.475 81 2HB LEU 8 HB1 LEU 8 2.350 -3.230 1.907 82 HG LEU 8 HG LEU 8 -0.077 -4.032 1.503 83 1HD1 LEU 8 HD11 LEU 8 0.862 -5.023 -0.790 84 2HD1 LEU 8 HD12 LEU 8 -0.497 -5.739 0.077 85 3HD1 LEU 8 HD13 LEU 8 1.118 -6.427 0.247 86 1HD2 LEU 8 HD21 LEU 8 0.255 -5.618 3.092 87 2HD2 LEU 8 HD22 LEU 8 1.831 -4.832 3.178 88 3HD2 LEU 8 HD23 LEU 8 1.639 -6.325 2.259 89 H GLU 9 HN GLU 9 3.342 -0.765 0.790 90 HA GLU 9 HA GLU 9 1.888 0.557 2.854 91 1HB GLU 9 HB2 GLU 9 4.444 1.263 1.405 92 2HB GLU 9 HB1 GLU 9 3.794 2.215 2.733 93 1HG GLU 9 HG2 GLU 9 3.812 -0.284 3.807 94 2HG GLU 9 HG1 GLU 9 5.232 -0.329 2.763 95 H LYS 10 HN LYS 10 2.435 1.143 -0.557 96 HA LYS 10 HA LYS 10 1.376 3.790 -0.581 97 1HB LYS 10 HB2 LYS 10 1.775 1.743 -2.768 98 2HB LYS 10 HB1 LYS 10 1.173 3.368 -3.067 99 1HG LYS 10 HG2 LYS 10 3.362 4.049 -1.766 100 2HG LYS 10 HG1 LYS 10 3.897 2.459 -2.313 101 1HD LYS 10 HD2 LYS 10 4.040 3.110 -4.467 102 2HD LYS 10 HD1 LYS 10 2.588 4.107 -4.366 103 1HE LYS 10 HE2 LYS 10 5.370 4.813 -3.455 104 2HE LYS 10 HE1 LYS 10 4.452 5.550 -4.766 105 1HZ LYS 10 HZ1 LYS 10 2.798 5.948 -2.724 106 2HZ LYS 10 HZ2 LYS 10 3.988 7.060 -3.183 107 3HZ LYS 10 HZ3 LYS 10 4.277 5.994 -1.902 108 H LEU 11 HN LEU 11 0.047 0.571 -0.895 109 HA LEU 11 HA LEU 11 -2.519 1.332 -1.826 110 1HB LEU 11 HB2 LEU 11 -1.190 -1.059 -1.296 111 2HB LEU 11 HB1 LEU 11 -2.515 -1.044 -0.147 112 HG LEU 11 HG LEU 11 -2.983 -0.540 -3.072 113 1HD1 LEU 11 HD11 LEU 11 -2.476 -3.111 -1.669 114 2HD1 LEU 11 HD12 LEU 11 -2.076 -2.621 -3.316 115 3HD1 LEU 11 HD13 LEU 11 -3.734 -3.060 -2.904 116 1HD2 LEU 11 HD21 LEU 11 -4.868 0.052 -1.835 117 2HD2 LEU 11 HD22 LEU 11 -4.663 -1.285 -0.704 118 3HD2 LEU 11 HD23 LEU 11 -5.208 -1.600 -2.351 119 H PHE 12 HN PHE 12 -1.030 1.119 1.334 120 HA PHE 12 HA PHE 12 -3.388 1.284 2.882 121 1HB PHE 12 HB2 PHE 12 -0.721 0.942 3.432 122 2HB PHE 12 HB1 PHE 12 -1.003 2.578 4.019 123 HD1 PHE 12 HD1 PHE 12 -2.121 2.960 6.044 124 HD2 PHE 12 HD2 PHE 12 -2.143 -0.929 4.317 125 HE1 PHE 12 HE1 PHE 12 -3.091 2.051 8.114 126 HE2 PHE 12 HE2 PHE 12 -3.115 -1.845 6.383 127 HZ PHE 12 HZ PHE 12 -3.590 -0.354 8.285 128 H SER 13 HN SER 13 -1.352 3.683 1.327 129 HA SER 13 HA SER 13 -2.441 5.958 2.615 130 1HB SER 13 HB2 SER 13 -0.755 5.450 0.224 131 2HB SER 13 HB1 SER 13 -1.633 6.979 0.251 132 HG SER 13 HG SER 13 0.482 7.051 1.234 133 H LYS 14 HN LYS 14 -3.399 4.064 -0.173 134 HA LYS 14 HA LYS 14 -5.325 5.895 -1.173 135 1HB LYS 14 HB2 LYS 14 -4.300 3.921 -2.411 136 2HB LYS 14 HB1 LYS 14 -5.396 2.895 -1.496 137 1HG LYS 14 HG2 LYS 14 -7.290 3.791 -2.537 138 2HG LYS 14 HG1 LYS 14 -6.400 5.188 -3.146 139 1HD LYS 14 HD2 LYS 14 -5.372 2.582 -4.034 140 2HD LYS 14 HD1 LYS 14 -6.993 2.977 -4.611 141 1HE LYS 14 HE2 LYS 14 -4.931 5.098 -4.788 142 2HE LYS 14 HE1 LYS 14 -4.778 3.733 -5.893 143 1HZ LYS 14 HZ1 LYS 14 -6.064 5.402 -6.958 144 2HZ LYS 14 HZ2 LYS 14 -7.092 5.571 -5.625 145 3HZ LYS 14 HZ3 LYS 14 -7.127 4.152 -6.545 146 H ILE 15 HN ILE 15 -5.409 3.282 1.179 147 HA ILE 15 HA ILE 15 -8.224 3.215 1.500 148 HB ILE 15 HB ILE 15 -6.123 2.472 3.543 149 1HG1 ILE 15 HG12 ILE 15 -7.471 0.725 1.470 150 2HG1 ILE 15 HG11 ILE 15 -5.818 1.321 1.359 151 1HG2 ILE 15 HG21 ILE 15 -9.055 2.218 3.411 152 2HG2 ILE 15 HG22 ILE 15 -7.985 2.322 4.809 153 3HG2 ILE 15 HG23 ILE 15 -8.184 0.787 3.962 154 1HD1 ILE 15 HD11 ILE 15 -5.497 -0.794 2.175 155 2HD1 ILE 15 HD12 ILE 15 -6.966 -0.759 3.151 156 3HD1 ILE 15 HD13 ILE 15 -5.543 0.145 3.667 157 H GLN 16 HN GLN 16 -5.665 5.178 2.857 158 HA GLN 16 HA GLN 16 -7.189 6.302 4.977 159 1HB GLN 16 HB2 GLN 16 -4.727 7.309 3.540 160 2HB GLN 16 HB1 GLN 16 -5.406 8.061 4.976 161 1HG GLN 16 HG2 GLN 16 -5.139 5.432 5.727 162 2HG GLN 16 HG1 GLN 16 -3.723 5.707 4.714 163 1HE2 GLN 16 HE21 GLN 16 -3.864 5.240 7.572 164 2HE2 GLN 16 HE22 GLN 16 -3.137 6.613 8.328 165 H ASN 17 HN ASN 17 -6.749 7.070 1.590 166 HA ASN 17 HA ASN 17 -7.951 9.653 1.702 167 1HB ASN 17 HB2 ASN 17 -6.768 7.953 -0.301 168 2HB ASN 17 HB1 ASN 17 -8.296 8.595 -0.895 169 1HD2 ASN 17 HD21 ASN 17 -8.451 11.052 0.088 170 2HD2 ASN 17 HD22 ASN 17 -7.128 12.030 -0.442 171 H TRP 18 HN TRP 18 -9.136 6.400 1.474 172 HA TRP 18 HA TRP 18 -11.771 7.155 0.580 173 1HB TRP 18 HB2 TRP 18 -10.286 4.745 0.777 174 2HB TRP 18 HB1 TRP 18 -11.731 4.543 1.762 175 HD1 TRP 18 HD1 TRP 18 -13.751 6.209 -0.086 176 HE1 TRP 18 HE1 TRP 18 -14.509 5.199 -2.329 177 HE3 TRP 18 HE3 TRP 18 -9.948 2.869 -0.801 178 HZ2 TRP 18 HZ2 TRP 18 -13.614 3.245 -4.158 179 HZ3 TRP 18 HZ3 TRP 18 -9.974 1.467 -2.822 180 HH2 TRP 18 HH2 TRP 18 -11.770 1.652 -4.465 181 H LYS 19 HN LYS 19 -10.219 6.278 3.630 182 HA LYS 19 HA LYS 19 -12.712 6.475 5.093 183 1HB LYS 19 HB2 LYS 19 -11.370 5.935 7.060 184 2HB LYS 19 HB1 LYS 19 -11.042 4.807 5.753 185 1HG LYS 19 HG2 LYS 19 -8.900 5.470 5.535 186 2HG LYS 19 HG1 LYS 19 -9.268 7.155 5.906 187 1HD LYS 19 HD2 LYS 19 -9.227 4.938 7.949 188 2HD LYS 19 HD1 LYS 19 -7.864 6.009 7.623 189 1HE LYS 19 HE2 LYS 19 -8.780 7.713 8.760 190 2HE LYS 19 HE1 LYS 19 -10.388 7.408 8.103 191 1HZ LYS 19 HZ1 LYS 19 -10.634 5.590 9.697 192 2HZ LYS 19 HZ2 LYS 19 -10.363 7.065 10.479 193 3HZ LYS 19 HZ3 LYS 19 -9.110 5.937 10.345 194 1HN NH2 20 NH1 NH2 20 -13.292 8.081 6.486 195 2HN NH2 20 NH2 NH2 20 -12.489 9.608 6.585 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 11.042 -11.373 -0.388 2 2H ALA 1 HT2 ALA 1 9.809 -11.471 -1.578 3 3H ALA 1 HT3 ALA 1 10.514 -9.954 -1.192 4 HA ALA 1 HA ALA 1 12.678 -11.053 -1.880 5 1HB ALA 1 HB1 ALA 1 11.432 -13.292 -2.048 6 2HB ALA 1 HB2 ALA 1 12.563 -12.869 -3.334 7 3HB ALA 1 HB3 ALA 1 10.828 -12.679 -3.588 8 H LYS 2 HN LYS 2 9.554 -10.414 -3.415 9 HA LYS 2 HA LYS 2 10.862 -8.963 -5.579 10 1HB LYS 2 HB2 LYS 2 8.983 -10.508 -6.067 11 2HB LYS 2 HB1 LYS 2 7.921 -9.484 -5.110 12 1HG LYS 2 HG2 LYS 2 9.241 -7.861 -7.039 13 2HG LYS 2 HG1 LYS 2 8.570 -9.275 -7.852 14 1HD LYS 2 HD2 LYS 2 6.497 -8.622 -6.263 15 2HD LYS 2 HD1 LYS 2 7.204 -7.025 -6.514 16 1HE LYS 2 HE2 LYS 2 7.107 -8.472 -8.996 17 2HE LYS 2 HE1 LYS 2 5.513 -8.449 -8.243 18 1HZ LYS 2 HZ1 LYS 2 6.277 -6.511 -9.780 19 2HZ LYS 2 HZ2 LYS 2 7.051 -5.953 -8.383 20 3HZ LYS 2 HZ3 LYS 2 5.375 -6.184 -8.386 21 H LYS 3 HN LYS 3 10.276 -8.173 -2.545 22 HA LYS 3 HA LYS 3 9.615 -6.320 -1.360 23 1HB LYS 3 HB2 LYS 3 10.812 -4.342 -1.987 24 2HB LYS 3 HB1 LYS 3 11.826 -5.724 -2.371 25 1HG LYS 3 HG2 LYS 3 10.113 -4.770 -4.564 26 2HG LYS 3 HG1 LYS 3 11.379 -3.661 -4.039 27 1HD LYS 3 HD2 LYS 3 12.174 -6.484 -4.395 28 2HD LYS 3 HD1 LYS 3 11.771 -5.592 -5.864 29 1HE LYS 3 HE2 LYS 3 13.636 -4.357 -5.758 30 2HE LYS 3 HE1 LYS 3 13.469 -4.094 -4.023 31 1HZ LYS 3 HZ1 LYS 3 14.637 -6.004 -3.533 32 2HZ LYS 3 HZ2 LYS 3 15.457 -5.447 -4.903 33 3HZ LYS 3 HZ3 LYS 3 14.347 -6.715 -5.041 34 H VAL 4 HN VAL 4 7.547 -7.250 -2.983 35 HA VAL 4 HA VAL 4 6.259 -5.100 -4.350 36 HB VAL 4 HB VAL 4 5.568 -7.425 -4.750 37 1HG1 VAL 4 HG11 VAL 4 4.212 -8.603 -3.031 38 2HG1 VAL 4 HG12 VAL 4 4.660 -7.347 -1.877 39 3HG1 VAL 4 HG13 VAL 4 5.902 -8.386 -2.576 40 1HG2 VAL 4 HG21 VAL 4 3.394 -6.905 -5.134 41 2HG2 VAL 4 HG22 VAL 4 3.953 -5.295 -4.681 42 3HG2 VAL 4 HG23 VAL 4 3.132 -6.309 -3.495 43 H PHE 5 HN PHE 5 6.984 -5.802 -1.186 44 HA PHE 5 HA PHE 5 5.018 -5.012 0.461 45 1HB PHE 5 HB2 PHE 5 7.310 -5.780 1.078 46 2HB PHE 5 HB1 PHE 5 7.913 -4.185 0.660 47 HD1 PHE 5 HD1 PHE 5 6.297 -6.203 3.172 48 HD2 PHE 5 HD2 PHE 5 7.195 -2.211 2.005 49 HE1 PHE 5 HE1 PHE 5 5.840 -5.434 5.465 50 HE2 PHE 5 HE2 PHE 5 6.741 -1.435 4.295 51 HZ PHE 5 HZ PHE 5 6.062 -3.047 6.028 52 H LYS 6 HN LYS 6 6.813 -3.037 -1.677 53 HA LYS 6 HA LYS 6 6.196 -0.512 -0.556 54 1HB LYS 6 HB2 LYS 6 7.949 -1.198 -2.393 55 2HB LYS 6 HB1 LYS 6 6.623 -0.871 -3.500 56 1HG LYS 6 HG2 LYS 6 7.031 1.241 -1.533 57 2HG LYS 6 HG1 LYS 6 8.429 0.964 -2.574 58 1HD LYS 6 HD2 LYS 6 6.485 0.920 -4.422 59 2HD LYS 6 HD1 LYS 6 5.735 1.992 -3.237 60 1HE LYS 6 HE2 LYS 6 7.072 3.163 -4.991 61 2HE LYS 6 HE1 LYS 6 7.574 3.509 -3.337 62 1HZ LYS 6 HZ1 LYS 6 9.265 2.830 -5.263 63 2HZ LYS 6 HZ2 LYS 6 8.924 1.292 -4.647 64 3HZ LYS 6 HZ3 LYS 6 9.547 2.491 -3.629 65 H ARG 7 HN ARG 7 4.681 -2.481 -3.081 66 HA ARG 7 HA ARG 7 2.666 -0.643 -3.779 67 1HB ARG 7 HB2 ARG 7 2.991 -3.607 -4.052 68 2HB ARG 7 HB1 ARG 7 1.427 -2.879 -4.393 69 1HG ARG 7 HG2 ARG 7 2.336 -1.551 -6.144 70 2HG ARG 7 HG1 ARG 7 3.986 -1.991 -5.699 71 1HD ARG 7 HD2 ARG 7 3.896 -3.768 -7.026 72 2HD ARG 7 HD1 ARG 7 2.490 -4.377 -6.153 73 HE ARG 7 HE ARG 7 1.149 -3.631 -7.855 74 1HH1 ARG 7 HH11 ARG 7 4.311 -2.193 -8.185 75 2HH1 ARG 7 HH12 ARG 7 3.979 -1.518 -9.745 76 1HH2 ARG 7 HH21 ARG 7 0.710 -2.745 -9.905 77 2HH2 ARG 7 HH22 ARG 7 1.933 -1.832 -10.722 78 H LEU 8 HN LEU 8 2.955 -3.016 -1.218 79 HA LEU 8 HA LEU 8 0.258 -3.008 -0.383 80 1HB LEU 8 HB2 LEU 8 2.440 -4.451 0.296 81 2HB LEU 8 HB1 LEU 8 2.358 -3.367 1.671 82 HG LEU 8 HG LEU 8 -0.089 -4.105 1.888 83 1HD1 LEU 8 HD11 LEU 8 -0.739 -5.270 0.063 84 2HD1 LEU 8 HD12 LEU 8 -0.096 -6.625 0.991 85 3HD1 LEU 8 HD13 LEU 8 0.884 -5.874 -0.268 86 1HD2 LEU 8 HD21 LEU 8 2.025 -4.846 3.218 87 2HD2 LEU 8 HD22 LEU 8 1.798 -6.371 2.361 88 3HD2 LEU 8 HD23 LEU 8 0.516 -5.742 3.396 89 H GLU 9 HN GLU 9 3.025 -0.970 0.378 90 HA GLU 9 HA GLU 9 1.768 0.447 2.501 91 1HB GLU 9 HB2 GLU 9 4.133 1.064 0.732 92 2HB GLU 9 HB1 GLU 9 3.582 2.175 1.979 93 1HG GLU 9 HG2 GLU 9 3.803 0.137 3.554 94 2HG GLU 9 HG1 GLU 9 4.811 -0.531 2.271 95 H LYS 10 HN LYS 10 1.821 0.765 -0.974 96 HA LYS 10 HA LYS 10 0.733 3.394 -1.081 97 1HB LYS 10 HB2 LYS 10 1.957 2.164 -2.949 98 2HB LYS 10 HB1 LYS 10 0.465 1.270 -3.209 99 1HG LYS 10 HG2 LYS 10 -0.682 3.159 -3.945 100 2HG LYS 10 HG1 LYS 10 0.499 4.264 -3.240 101 1HD LYS 10 HD2 LYS 10 2.069 3.846 -4.920 102 2HD LYS 10 HD1 LYS 10 1.270 2.354 -5.420 103 1HE LYS 10 HE2 LYS 10 0.565 3.724 -7.098 104 2HE LYS 10 HE1 LYS 10 -0.719 4.028 -5.928 105 1HZ LYS 10 HZ1 LYS 10 0.829 5.917 -5.148 106 2HZ LYS 10 HZ2 LYS 10 -0.085 6.138 -6.554 107 3HZ LYS 10 HZ3 LYS 10 1.557 5.745 -6.667 108 H LEU 11 HN LEU 11 -0.600 0.149 -0.960 109 HA LEU 11 HA LEU 11 -3.281 0.861 -1.534 110 1HB LEU 11 HB2 LEU 11 -1.871 -1.506 -0.453 111 2HB LEU 11 HB1 LEU 11 -3.566 -1.361 -0.027 112 HG LEU 11 HG LEU 11 -3.191 -2.758 -2.029 113 1HD1 LEU 11 HD11 LEU 11 -4.706 -1.214 -3.559 114 2HD1 LEU 11 HD12 LEU 11 -4.835 -0.290 -2.062 115 3HD1 LEU 11 HD13 LEU 11 -5.328 -1.983 -2.099 116 1HD2 LEU 11 HD21 LEU 11 -2.695 -1.325 -4.149 117 2HD2 LEU 11 HD22 LEU 11 -1.363 -1.919 -3.156 118 3HD2 LEU 11 HD23 LEU 11 -1.901 -0.246 -3.002 119 H PHE 12 HN PHE 12 -1.361 0.763 1.404 120 HA PHE 12 HA PHE 12 -3.527 1.102 3.211 121 1HB PHE 12 HB2 PHE 12 -1.206 0.296 3.811 122 2HB PHE 12 HB1 PHE 12 -0.661 1.962 3.647 123 HD1 PHE 12 HD1 PHE 12 -0.630 3.302 5.513 124 HD2 PHE 12 HD2 PHE 12 -3.254 -0.046 5.418 125 HE1 PHE 12 HE1 PHE 12 -1.270 3.743 7.847 126 HE2 PHE 12 HE2 PHE 12 -3.900 0.389 7.752 127 HZ PHE 12 HZ PHE 12 -2.908 2.286 8.970 128 H SER 13 HN SER 13 -1.505 3.287 1.364 129 HA SER 13 HA SER 13 -2.311 5.673 2.676 130 1HB SER 13 HB2 SER 13 -1.456 5.559 -0.210 131 2HB SER 13 HB1 SER 13 -1.159 6.828 0.979 132 HG SER 13 HG SER 13 0.608 5.244 0.392 133 H LYS 14 HN LYS 14 -3.657 3.706 0.134 134 HA LYS 14 HA LYS 14 -5.499 5.615 -0.874 135 1HB LYS 14 HB2 LYS 14 -4.699 3.253 -1.790 136 2HB LYS 14 HB1 LYS 14 -6.131 2.699 -0.935 137 1HG LYS 14 HG2 LYS 14 -7.557 4.045 -2.264 138 2HG LYS 14 HG1 LYS 14 -6.190 4.919 -2.959 139 1HD LYS 14 HD2 LYS 14 -5.607 2.302 -3.562 140 2HD LYS 14 HD1 LYS 14 -7.364 2.356 -3.722 141 1HE LYS 14 HE2 LYS 14 -6.926 3.101 -5.795 142 2HE LYS 14 HE1 LYS 14 -6.657 4.646 -4.990 143 1HZ LYS 14 HZ1 LYS 14 -4.826 4.151 -6.443 144 2HZ LYS 14 HZ2 LYS 14 -4.578 2.650 -5.704 145 3HZ LYS 14 HZ3 LYS 14 -4.288 4.075 -4.840 146 H ILE 15 HN ILE 15 -5.526 3.363 1.803 147 HA ILE 15 HA ILE 15 -8.313 3.472 2.331 148 HB ILE 15 HB ILE 15 -6.112 2.932 4.328 149 1HG1 ILE 15 HG12 ILE 15 -7.550 1.009 2.483 150 2HG1 ILE 15 HG11 ILE 15 -5.859 1.484 2.362 151 1HG2 ILE 15 HG21 ILE 15 -7.788 1.716 5.555 152 2HG2 ILE 15 HG22 ILE 15 -8.977 1.995 4.283 153 3HG2 ILE 15 HG23 ILE 15 -8.376 3.349 5.242 154 1HD1 ILE 15 HD11 ILE 15 -6.939 0.175 4.827 155 2HD1 ILE 15 HD12 ILE 15 -5.268 0.293 4.274 156 3HD1 ILE 15 HD13 ILE 15 -6.403 -0.764 3.434 157 H GLN 16 HN GLN 16 -5.567 5.440 3.280 158 HA GLN 16 HA GLN 16 -6.934 6.928 5.287 159 1HB GLN 16 HB2 GLN 16 -4.332 6.681 4.601 160 2HB GLN 16 HB1 GLN 16 -4.701 8.217 3.828 161 1HG GLN 16 HG2 GLN 16 -4.703 9.303 5.764 162 2HG GLN 16 HG1 GLN 16 -5.725 8.090 6.534 163 1HE2 GLN 16 HE21 GLN 16 -2.795 9.541 6.653 164 2HE2 GLN 16 HE22 GLN 16 -1.897 8.329 7.495 165 H ASN 17 HN ASN 17 -6.574 7.208 1.824 166 HA ASN 17 HA ASN 17 -7.603 9.872 1.642 167 1HB ASN 17 HB2 ASN 17 -6.795 7.739 -0.246 168 2HB ASN 17 HB1 ASN 17 -8.007 8.869 -0.840 169 1HD2 ASN 17 HD21 ASN 17 -5.085 9.120 1.165 170 2HD2 ASN 17 HD22 ASN 17 -4.369 10.402 0.255 171 H TRP 18 HN TRP 18 -8.958 6.663 1.702 172 HA TRP 18 HA TRP 18 -11.567 7.524 0.800 173 1HB TRP 18 HB2 TRP 18 -10.285 4.949 1.516 174 2HB TRP 18 HB1 TRP 18 -12.022 5.054 1.785 175 HD1 TRP 18 HD1 TRP 18 -9.971 3.655 -0.670 176 HE1 TRP 18 HE1 TRP 18 -10.959 3.782 -3.044 177 HE3 TRP 18 HE3 TRP 18 -13.500 7.271 0.111 178 HZ2 TRP 18 HZ2 TRP 18 -12.968 5.224 -4.405 179 HZ3 TRP 18 HZ3 TRP 18 -14.914 7.967 -1.779 180 HH2 TRP 18 HH2 TRP 18 -14.652 6.964 -3.990 181 H LYS 19 HN LYS 19 -9.905 7.000 3.818 182 HA LYS 19 HA LYS 19 -12.288 6.997 5.426 183 1HB LYS 19 HB2 LYS 19 -9.768 6.123 5.866 184 2HB LYS 19 HB1 LYS 19 -9.697 7.679 6.681 185 1HG LYS 19 HG2 LYS 19 -10.294 5.986 8.267 186 2HG LYS 19 HG1 LYS 19 -11.687 7.036 7.998 187 1HD LYS 19 HD2 LYS 19 -12.797 5.093 7.746 188 2HD LYS 19 HD1 LYS 19 -12.114 5.132 6.119 189 1HE LYS 19 HE2 LYS 19 -10.399 3.633 6.686 190 2HE LYS 19 HE1 LYS 19 -10.659 3.859 8.415 191 1HZ LYS 19 HZ1 LYS 19 -12.290 2.323 6.493 192 2HZ LYS 19 HZ2 LYS 19 -12.947 2.856 7.957 193 3HZ LYS 19 HZ3 LYS 19 -11.618 1.811 7.959 194 1HN NH2 20 NH1 NH2 20 -13.436 8.722 5.900 195 2HN NH2 20 NH2 NH2 20 -12.860 10.348 6.000 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 11.996 -9.095 -7.268 2 2H ALA 1 HT2 ALA 1 10.638 -8.313 -6.568 3 3H ALA 1 HT3 ALA 1 10.562 -9.982 -6.960 4 HA ALA 1 HA ALA 1 12.279 -10.436 -5.363 5 1HB ALA 1 HB1 ALA 1 12.845 -8.646 -3.738 6 2HB ALA 1 HB2 ALA 1 12.004 -7.493 -4.774 7 3HB ALA 1 HB3 ALA 1 13.436 -8.333 -5.369 8 H LYS 2 HN LYS 2 11.802 -10.146 -2.829 9 HA LYS 2 HA LYS 2 8.931 -10.661 -2.571 10 1HB LYS 2 HB2 LYS 2 10.740 -12.314 -1.803 11 2HB LYS 2 HB1 LYS 2 11.018 -11.201 -0.470 12 1HG LYS 2 HG2 LYS 2 8.597 -11.429 0.114 13 2HG LYS 2 HG1 LYS 2 8.491 -12.704 -1.101 14 1HD LYS 2 HD2 LYS 2 10.711 -13.030 0.781 15 2HD LYS 2 HD1 LYS 2 9.116 -13.082 1.535 16 1HE LYS 2 HE2 LYS 2 8.530 -14.708 -0.394 17 2HE LYS 2 HE1 LYS 2 10.277 -14.873 -0.565 18 1HZ LYS 2 HZ1 LYS 2 10.030 -15.229 2.045 19 2HZ LYS 2 HZ2 LYS 2 9.938 -16.503 0.936 20 3HZ LYS 2 HZ3 LYS 2 8.521 -15.817 1.554 21 H LYS 3 HN LYS 3 10.003 -7.951 -2.739 22 HA LYS 3 HA LYS 3 9.102 -6.970 -0.103 23 1HB LYS 3 HB2 LYS 3 10.595 -4.983 -0.502 24 2HB LYS 3 HB1 LYS 3 11.446 -6.494 -0.214 25 1HG LYS 3 HG2 LYS 3 11.726 -6.734 -2.673 26 2HG LYS 3 HG1 LYS 3 11.022 -5.126 -2.860 27 1HD LYS 3 HD2 LYS 3 13.255 -4.600 -2.834 28 2HD LYS 3 HD1 LYS 3 12.879 -4.471 -1.114 29 1HE LYS 3 HE2 LYS 3 13.663 -6.796 -0.808 30 2HE LYS 3 HE1 LYS 3 14.115 -6.841 -2.512 31 1HZ LYS 3 HZ1 LYS 3 15.923 -6.299 -0.833 32 2HZ LYS 3 HZ2 LYS 3 15.188 -4.783 -0.681 33 3HZ LYS 3 HZ3 LYS 3 15.797 -5.280 -2.179 34 H VAL 4 HN VAL 4 7.444 -7.506 -2.279 35 HA VAL 4 HA VAL 4 6.804 -5.119 -3.711 36 HB VAL 4 HB VAL 4 4.927 -7.389 -3.007 37 1HG1 VAL 4 HG11 VAL 4 4.838 -5.146 -4.993 38 2HG1 VAL 4 HG12 VAL 4 3.616 -5.645 -3.822 39 3HG1 VAL 4 HG13 VAL 4 3.922 -6.631 -5.252 40 1HG2 VAL 4 HG21 VAL 4 5.725 -8.659 -4.714 41 2HG2 VAL 4 HG22 VAL 4 7.215 -7.808 -4.307 42 3HG2 VAL 4 HG23 VAL 4 6.230 -7.262 -5.664 43 H PHE 5 HN PHE 5 6.599 -6.112 -0.552 44 HA PHE 5 HA PHE 5 4.365 -5.198 0.615 45 1HB PHE 5 HB2 PHE 5 6.317 -6.277 1.721 46 2HB PHE 5 HB1 PHE 5 7.179 -4.751 1.608 47 HD1 PHE 5 HD1 PHE 5 7.451 -3.964 3.760 48 HD2 PHE 5 HD2 PHE 5 3.659 -5.495 2.583 49 HE1 PHE 5 HE1 PHE 5 6.503 -3.266 5.921 50 HE2 PHE 5 HE2 PHE 5 2.704 -4.799 4.741 51 HZ PHE 5 HZ PHE 5 4.127 -3.683 6.413 52 H LYS 6 HN LYS 6 6.834 -3.319 -0.819 53 HA LYS 6 HA LYS 6 6.207 -0.815 0.343 54 1HB LYS 6 HB2 LYS 6 8.233 -1.695 -1.225 55 2HB LYS 6 HB1 LYS 6 7.272 -0.834 -2.420 56 1HG LYS 6 HG2 LYS 6 8.109 0.418 0.177 57 2HG LYS 6 HG1 LYS 6 9.109 0.473 -1.277 58 1HD LYS 6 HD2 LYS 6 6.246 1.335 -1.386 59 2HD LYS 6 HD1 LYS 6 7.478 2.433 -0.761 60 1HE LYS 6 HE2 LYS 6 8.712 1.673 -2.994 61 2HE LYS 6 HE1 LYS 6 7.047 1.418 -3.515 62 1HZ LYS 6 HZ1 LYS 6 7.945 3.959 -2.290 63 2HZ LYS 6 HZ2 LYS 6 6.536 3.667 -3.178 64 3HZ LYS 6 HZ3 LYS 6 8.037 3.680 -3.957 65 H ARG 7 HN ARG 7 5.212 -2.399 -2.671 66 HA ARG 7 HA ARG 7 3.615 -0.292 -3.638 67 1HB ARG 7 HB2 ARG 7 3.902 -3.186 -4.200 68 2HB ARG 7 HB1 ARG 7 2.362 -2.466 -4.651 69 1HG ARG 7 HG2 ARG 7 3.638 -2.270 -6.574 70 2HG ARG 7 HG1 ARG 7 3.776 -0.676 -5.831 71 1HD ARG 7 HD2 ARG 7 5.873 -1.946 -4.690 72 2HD ARG 7 HD1 ARG 7 5.815 -2.759 -6.253 73 HE ARG 7 HE ARG 7 5.690 0.109 -6.427 74 1HH1 ARG 7 HH11 ARG 7 7.806 -2.661 -6.250 75 2HH1 ARG 7 HH12 ARG 7 9.138 -1.847 -6.999 76 1HH2 ARG 7 HH21 ARG 7 7.441 1.181 -7.411 77 2HH2 ARG 7 HH22 ARG 7 8.932 0.334 -7.657 78 H LEU 8 HN LEU 8 3.043 -2.856 -1.330 79 HA LEU 8 HA LEU 8 0.236 -2.640 -1.176 80 1HB LEU 8 HB2 LEU 8 2.233 -4.174 0.042 81 2HB LEU 8 HB1 LEU 8 1.469 -3.308 1.362 82 HG LEU 8 HG LEU 8 -0.602 -4.346 -0.289 83 1HD1 LEU 8 HD11 LEU 8 0.964 -6.659 0.682 84 2HD1 LEU 8 HD12 LEU 8 1.506 -5.894 -0.812 85 3HD1 LEU 8 HD13 LEU 8 -0.136 -6.524 -0.690 86 1HD2 LEU 8 HD21 LEU 8 0.363 -4.580 2.495 87 2HD2 LEU 8 HD22 LEU 8 -0.719 -5.849 1.921 88 3HD2 LEU 8 HD23 LEU 8 -1.235 -4.163 1.876 89 H GLU 9 HN GLU 9 2.871 -0.879 0.333 90 HA GLU 9 HA GLU 9 1.351 0.481 2.283 91 1HB GLU 9 HB2 GLU 9 3.885 0.326 2.134 92 2HB GLU 9 HB1 GLU 9 3.801 1.570 0.894 93 1HG GLU 9 HG2 GLU 9 2.470 2.894 2.690 94 2HG GLU 9 HG1 GLU 9 3.227 1.766 3.814 95 H LYS 10 HN LYS 10 1.951 1.057 -1.118 96 HA LYS 10 HA LYS 10 0.930 3.701 -1.208 97 1HB LYS 10 HB2 LYS 10 2.306 2.286 -2.973 98 2HB LYS 10 HB1 LYS 10 0.701 1.872 -3.562 99 1HG LYS 10 HG2 LYS 10 0.460 4.548 -3.358 100 2HG LYS 10 HG1 LYS 10 2.182 4.407 -3.717 101 1HD LYS 10 HD2 LYS 10 1.607 2.987 -5.670 102 2HD LYS 10 HD1 LYS 10 -0.101 3.280 -5.335 103 1HE LYS 10 HE2 LYS 10 0.650 4.783 -7.067 104 2HE LYS 10 HE1 LYS 10 0.293 5.700 -5.603 105 1HZ LYS 10 HZ1 LYS 10 2.529 5.993 -6.995 106 2HZ LYS 10 HZ2 LYS 10 3.039 4.797 -5.913 107 3HZ LYS 10 HZ3 LYS 10 2.441 6.267 -5.327 108 H LEU 11 HN LEU 11 -0.512 0.517 -1.824 109 HA LEU 11 HA LEU 11 -3.088 1.493 -2.471 110 1HB LEU 11 HB2 LEU 11 -1.817 -1.071 -2.080 111 2HB LEU 11 HB1 LEU 11 -3.392 -1.053 -1.310 112 HG LEU 11 HG LEU 11 -3.253 -0.029 -4.091 113 1HD1 LEU 11 HD11 LEU 11 -2.516 -2.777 -3.299 114 2HD1 LEU 11 HD12 LEU 11 -2.078 -1.850 -4.734 115 3HD1 LEU 11 HD13 LEU 11 -3.662 -2.618 -4.630 116 1HD2 LEU 11 HD21 LEU 11 -5.419 -0.013 -3.432 117 2HD2 LEU 11 HD22 LEU 11 -5.189 -1.314 -2.264 118 3HD2 LEU 11 HD23 LEU 11 -5.348 -1.688 -3.980 119 H PHE 12 HN PHE 12 -1.464 0.758 0.534 120 HA PHE 12 HA PHE 12 -3.786 0.819 2.181 121 1HB PHE 12 HB2 PHE 12 -1.412 -0.120 2.702 122 2HB PHE 12 HB1 PHE 12 -1.036 1.538 3.160 123 HD1 PHE 12 HD1 PHE 12 -3.795 -0.914 3.736 124 HD2 PHE 12 HD2 PHE 12 -1.169 1.995 5.394 125 HE1 PHE 12 HE1 PHE 12 -4.763 -1.316 5.962 126 HE2 PHE 12 HE2 PHE 12 -2.131 1.598 7.624 127 HZ PHE 12 HZ PHE 12 -3.930 -0.059 7.910 128 H SER 13 HN SER 13 -1.585 3.210 0.908 129 HA SER 13 HA SER 13 -2.334 5.351 2.604 130 1HB SER 13 HB2 SER 13 -0.369 5.038 0.786 131 2HB SER 13 HB1 SER 13 -1.514 5.962 -0.186 132 HG SER 13 HG SER 13 0.165 6.950 1.490 133 H LYS 14 HN LYS 14 -3.664 3.989 -0.333 134 HA LYS 14 HA LYS 14 -5.398 6.130 -0.983 135 1HB LYS 14 HB2 LYS 14 -5.877 3.208 -1.576 136 2HB LYS 14 HB1 LYS 14 -6.489 4.594 -2.467 137 1HG LYS 14 HG2 LYS 14 -3.562 4.428 -2.271 138 2HG LYS 14 HG1 LYS 14 -4.336 3.140 -3.196 139 1HD LYS 14 HD2 LYS 14 -5.405 4.744 -4.635 140 2HD LYS 14 HD1 LYS 14 -4.828 6.083 -3.640 141 1HE LYS 14 HE2 LYS 14 -3.006 4.153 -5.064 142 2HE LYS 14 HE1 LYS 14 -3.538 5.683 -5.759 143 1HZ LYS 14 HZ1 LYS 14 -2.391 5.826 -3.093 144 2HZ LYS 14 HZ2 LYS 14 -2.193 6.862 -4.415 145 3HZ LYS 14 HZ3 LYS 14 -1.315 5.419 -4.334 146 H ILE 15 HN ILE 15 -5.664 3.359 1.157 147 HA ILE 15 HA ILE 15 -8.440 3.561 1.664 148 HB ILE 15 HB ILE 15 -6.324 2.499 3.537 149 1HG1 ILE 15 HG12 ILE 15 -6.315 1.562 1.155 150 2HG1 ILE 15 HG11 ILE 15 -6.462 0.400 2.464 151 1HG2 ILE 15 HG21 ILE 15 -8.475 2.807 4.601 152 2HG2 ILE 15 HG22 ILE 15 -8.157 1.087 4.380 153 3HG2 ILE 15 HG23 ILE 15 -9.274 1.923 3.301 154 1HD1 ILE 15 HD11 ILE 15 -8.007 0.377 0.288 155 2HD1 ILE 15 HD12 ILE 15 -8.987 1.412 1.328 156 3HD1 ILE 15 HD13 ILE 15 -8.546 -0.211 1.860 157 H GLN 16 HN GLN 16 -5.618 5.155 2.980 158 HA GLN 16 HA GLN 16 -6.879 6.277 5.262 159 1HB GLN 16 HB2 GLN 16 -4.285 6.260 4.129 160 2HB GLN 16 HB1 GLN 16 -4.748 7.948 4.301 161 1HG GLN 16 HG2 GLN 16 -5.508 6.806 6.700 162 2HG GLN 16 HG1 GLN 16 -3.981 6.015 6.314 163 1HE2 GLN 16 HE21 GLN 16 -5.226 9.300 5.815 164 2HE2 GLN 16 HE22 GLN 16 -3.916 10.102 6.606 165 H ASN 17 HN ASN 17 -6.667 7.186 1.903 166 HA ASN 17 HA ASN 17 -7.542 9.883 2.259 167 1HB ASN 17 HB2 ASN 17 -6.480 8.406 0.160 168 2HB ASN 17 HB1 ASN 17 -8.133 8.726 -0.354 169 1HD2 ASN 17 HD21 ASN 17 -5.048 10.094 0.398 170 2HD2 ASN 17 HD22 ASN 17 -5.372 11.682 -0.201 171 H TRP 18 HN TRP 18 -9.106 6.796 1.927 172 HA TRP 18 HA TRP 18 -11.697 7.932 1.333 173 1HB TRP 18 HB2 TRP 18 -10.510 5.260 1.424 174 2HB TRP 18 HB1 TRP 18 -12.140 5.312 2.086 175 HD1 TRP 18 HD1 TRP 18 -13.852 4.693 0.304 176 HE1 TRP 18 HE1 TRP 18 -14.118 5.079 -2.226 177 HE3 TRP 18 HE3 TRP 18 -9.543 7.300 -0.578 178 HZ2 TRP 18 HZ2 TRP 18 -12.691 6.323 -4.320 179 HZ3 TRP 18 HZ3 TRP 18 -9.069 8.052 -2.872 180 HH2 TRP 18 HH2 TRP 18 -10.611 7.573 -4.704 181 H LYS 19 HN LYS 19 -9.954 6.723 4.126 182 HA LYS 19 HA LYS 19 -12.282 6.837 5.838 183 1HB LYS 19 HB2 LYS 19 -10.815 6.096 7.600 184 2HB LYS 19 HB1 LYS 19 -10.489 5.145 6.158 185 1HG LYS 19 HG2 LYS 19 -8.347 5.596 6.600 186 2HG LYS 19 HG1 LYS 19 -8.696 7.170 5.883 187 1HD LYS 19 HD2 LYS 19 -9.532 7.442 8.507 188 2HD LYS 19 HD1 LYS 19 -8.063 6.473 8.634 189 1HE LYS 19 HE2 LYS 19 -6.865 8.148 7.291 190 2HE LYS 19 HE1 LYS 19 -8.332 9.122 7.217 191 1HZ LYS 19 HZ1 LYS 19 -8.208 9.003 9.770 192 2HZ LYS 19 HZ2 LYS 19 -7.168 10.060 8.956 193 3HZ LYS 19 HZ3 LYS 19 -6.589 8.577 9.528 194 1HN NH2 20 NH1 NH2 20 -12.580 8.267 7.554 195 2HN NH2 20 NH2 NH2 20 -11.815 9.815 7.611 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 12.870 -7.314 -7.215 2 2H ALA 1 HT2 ALA 1 12.993 -9.023 -7.108 3 3H ALA 1 HT3 ALA 1 14.405 -8.052 -7.024 4 HA ALA 1 HA ALA 1 14.044 -8.605 -4.873 5 1HB ALA 1 HB1 ALA 1 13.073 -5.924 -5.653 6 2HB ALA 1 HB2 ALA 1 14.416 -6.388 -4.609 7 3HB ALA 1 HB3 ALA 1 12.765 -6.429 -3.991 8 H LYS 2 HN LYS 2 12.732 -9.264 -3.173 9 HA LYS 2 HA LYS 2 10.002 -9.972 -3.961 10 1HB LYS 2 HB2 LYS 2 12.074 -11.272 -2.439 11 2HB LYS 2 HB1 LYS 2 10.616 -11.137 -1.467 12 1HG LYS 2 HG2 LYS 2 9.346 -12.182 -3.324 13 2HG LYS 2 HG1 LYS 2 10.873 -12.426 -4.173 14 1HD LYS 2 HD2 LYS 2 11.052 -13.396 -1.466 15 2HD LYS 2 HD1 LYS 2 9.675 -14.125 -2.295 16 1HE LYS 2 HE2 LYS 2 11.350 -15.586 -2.869 17 2HE LYS 2 HE1 LYS 2 11.405 -14.464 -4.229 18 1HZ LYS 2 HZ1 LYS 2 13.312 -14.836 -2.046 19 2HZ LYS 2 HZ2 LYS 2 13.115 -13.266 -2.645 20 3HZ LYS 2 HZ3 LYS 2 13.592 -14.513 -3.683 21 H LYS 3 HN LYS 3 10.689 -7.272 -3.160 22 HA LYS 3 HA LYS 3 9.287 -7.037 -0.575 23 1HB LYS 3 HB2 LYS 3 10.185 -4.754 -0.493 24 2HB LYS 3 HB1 LYS 3 11.473 -5.938 -0.662 25 1HG LYS 3 HG2 LYS 3 12.236 -4.807 -2.400 26 2HG LYS 3 HG1 LYS 3 10.748 -5.185 -3.270 27 1HD LYS 3 HD2 LYS 3 9.927 -3.135 -1.689 28 2HD LYS 3 HD1 LYS 3 11.608 -2.685 -1.985 29 1HE LYS 3 HE2 LYS 3 9.545 -3.326 -4.091 30 2HE LYS 3 HE1 LYS 3 10.116 -1.715 -3.660 31 1HZ LYS 3 HZ1 LYS 3 11.139 -3.086 -5.657 32 2HZ LYS 3 HZ2 LYS 3 12.132 -3.682 -4.424 33 3HZ LYS 3 HZ3 LYS 3 12.072 -2.020 -4.731 34 H VAL 4 HN VAL 4 7.768 -7.706 -2.785 35 HA VAL 4 HA VAL 4 6.512 -5.478 -4.010 36 HB VAL 4 HB VAL 4 6.172 -7.787 -4.830 37 1HG1 VAL 4 HG11 VAL 4 4.522 -9.223 -3.574 38 2HG1 VAL 4 HG12 VAL 4 4.754 -8.141 -2.201 39 3HG1 VAL 4 HG13 VAL 4 6.116 -9.062 -2.838 40 1HG2 VAL 4 HG21 VAL 4 3.750 -6.218 -3.999 41 2HG2 VAL 4 HG22 VAL 4 3.626 -7.679 -4.976 42 3HG2 VAL 4 HG23 VAL 4 4.530 -6.290 -5.579 43 H PHE 5 HN PHE 5 6.608 -6.747 -0.916 44 HA PHE 5 HA PHE 5 4.262 -6.196 0.329 45 1HB PHE 5 HB2 PHE 5 6.413 -7.209 1.244 46 2HB PHE 5 HB1 PHE 5 6.982 -5.562 1.465 47 HD1 PHE 5 HD1 PHE 5 5.414 -4.004 2.863 48 HD2 PHE 5 HD2 PHE 5 5.281 -8.257 2.963 49 HE1 PHE 5 HE1 PHE 5 4.303 -3.915 5.057 50 HE2 PHE 5 HE2 PHE 5 4.169 -8.175 5.156 51 HZ PHE 5 HZ PHE 5 3.679 -6.002 6.206 52 H LYS 6 HN LYS 6 6.565 -4.017 -0.922 53 HA LYS 6 HA LYS 6 5.847 -1.691 0.505 54 1HB LYS 6 HB2 LYS 6 7.710 -2.368 -1.488 55 2HB LYS 6 HB1 LYS 6 6.710 -1.107 -2.196 56 1HG LYS 6 HG2 LYS 6 7.557 -0.541 0.543 57 2HG LYS 6 HG1 LYS 6 8.888 -0.700 -0.605 58 1HD LYS 6 HD2 LYS 6 8.372 1.223 -1.644 59 2HD LYS 6 HD1 LYS 6 6.640 0.887 -1.605 60 1HE LYS 6 HE2 LYS 6 8.113 1.681 0.881 61 2HE LYS 6 HE1 LYS 6 7.555 2.898 -0.266 62 1HZ LYS 6 HZ1 LYS 6 5.352 2.387 0.136 63 2HZ LYS 6 HZ2 LYS 6 6.034 2.237 1.676 64 3HZ LYS 6 HZ3 LYS 6 5.697 0.854 0.763 65 H ARG 7 HN ARG 7 4.641 -3.198 -2.443 66 HA ARG 7 HA ARG 7 2.985 -1.101 -3.310 67 1HB ARG 7 HB2 ARG 7 3.029 -4.058 -3.740 68 2HB ARG 7 HB1 ARG 7 1.602 -3.157 -4.235 69 1HG ARG 7 HG2 ARG 7 2.630 -2.261 -6.006 70 2HG ARG 7 HG1 ARG 7 4.126 -1.969 -5.116 71 1HD ARG 7 HD2 ARG 7 4.726 -4.325 -5.347 72 2HD ARG 7 HD1 ARG 7 3.225 -4.627 -6.221 73 HE ARG 7 HE ARG 7 4.169 -3.718 -8.102 74 1HH1 ARG 7 HH11 ARG 7 6.148 -2.930 -5.337 75 2HH1 ARG 7 HH12 ARG 7 7.443 -2.286 -6.290 76 1HH2 ARG 7 HH21 ARG 7 5.872 -2.872 -9.357 77 2HH2 ARG 7 HH22 ARG 7 7.286 -2.252 -8.572 78 H LEU 8 HN LEU 8 2.557 -3.598 -0.885 79 HA LEU 8 HA LEU 8 -0.217 -3.322 -0.498 80 1HB LEU 8 HB2 LEU 8 1.995 -4.640 0.811 81 2HB LEU 8 HB1 LEU 8 0.923 -3.925 2.001 82 HG LEU 8 HG LEU 8 -0.360 -5.510 -0.151 83 1HD1 LEU 8 HD11 LEU 8 0.906 -6.941 2.158 84 2HD1 LEU 8 HD12 LEU 8 1.750 -6.746 0.622 85 3HD1 LEU 8 HD13 LEU 8 0.214 -7.610 0.681 86 1HD2 LEU 8 HD21 LEU 8 -1.531 -4.347 1.759 87 2HD2 LEU 8 HD22 LEU 8 -0.789 -5.539 2.826 88 3HD2 LEU 8 HD23 LEU 8 -1.899 -6.060 1.559 89 H GLU 9 HN GLU 9 2.551 -1.615 0.878 90 HA GLU 9 HA GLU 9 1.119 -0.104 2.780 91 1HB GLU 9 HB2 GLU 9 3.700 -0.430 2.423 92 2HB GLU 9 HB1 GLU 9 3.544 0.992 1.400 93 1HG GLU 9 HG2 GLU 9 2.655 2.264 3.264 94 2HG GLU 9 HG1 GLU 9 2.736 0.837 4.295 95 H LYS 10 HN LYS 10 1.702 0.293 -0.642 96 HA LYS 10 HA LYS 10 0.867 2.987 -0.861 97 1HB LYS 10 HB2 LYS 10 1.307 0.723 -2.734 98 2HB LYS 10 HB1 LYS 10 0.274 2.029 -3.300 99 1HG LYS 10 HG2 LYS 10 2.349 3.446 -2.321 100 2HG LYS 10 HG1 LYS 10 3.176 1.974 -2.836 101 1HD LYS 10 HD2 LYS 10 1.353 3.656 -4.556 102 2HD LYS 10 HD1 LYS 10 3.116 3.671 -4.613 103 1HE LYS 10 HE2 LYS 10 3.224 1.730 -5.754 104 2HE LYS 10 HE1 LYS 10 1.877 1.016 -4.866 105 1HZ LYS 10 HZ1 LYS 10 0.356 1.840 -6.327 106 2HZ LYS 10 HZ2 LYS 10 1.661 1.645 -7.385 107 3HZ LYS 10 HZ3 LYS 10 1.301 3.175 -6.761 108 H LEU 11 HN LEU 11 -0.830 -0.108 -1.080 109 HA LEU 11 HA LEU 11 -3.336 0.929 -1.849 110 1HB LEU 11 HB2 LEU 11 -2.507 -1.517 -1.796 111 2HB LEU 11 HB1 LEU 11 -3.000 -1.502 -0.114 112 HG LEU 11 HG LEU 11 -4.885 -0.829 -2.365 113 1HD1 LEU 11 HD11 LEU 11 -4.000 -3.112 -2.646 114 2HD1 LEU 11 HD12 LEU 11 -5.716 -3.092 -2.241 115 3HD1 LEU 11 HD13 LEU 11 -4.522 -3.495 -1.006 116 1HD2 LEU 11 HD21 LEU 11 -6.422 -1.766 -0.407 117 2HD2 LEU 11 HD22 LEU 11 -5.951 -0.070 -0.507 118 3HD2 LEU 11 HD23 LEU 11 -5.085 -1.162 0.573 119 H PHE 12 HN PHE 12 -1.745 0.603 1.251 120 HA PHE 12 HA PHE 12 -4.022 1.104 2.866 121 1HB PHE 12 HB2 PHE 12 -1.440 0.360 3.371 122 2HB PHE 12 HB1 PHE 12 -1.424 2.038 3.902 123 HD1 PHE 12 HD1 PHE 12 -1.412 1.994 6.208 124 HD2 PHE 12 HD2 PHE 12 -4.107 -0.534 4.097 125 HE1 PHE 12 HE1 PHE 12 -2.451 1.329 8.337 126 HE2 PHE 12 HE2 PHE 12 -5.151 -1.203 6.222 127 HZ PHE 12 HZ PHE 12 -4.323 -0.271 8.346 128 H SER 13 HN SER 13 -1.758 3.132 1.150 129 HA SER 13 HA SER 13 -2.376 5.576 2.428 130 1HB SER 13 HB2 SER 13 -1.127 6.616 0.735 131 2HB SER 13 HB1 SER 13 -0.416 5.005 0.821 132 HG SER 13 HG SER 13 -1.062 4.645 -1.142 133 H LYS 14 HN LYS 14 -3.854 3.771 -0.187 134 HA LYS 14 HA LYS 14 -5.535 5.819 -1.164 135 1HB LYS 14 HB2 LYS 14 -5.292 2.911 -1.471 136 2HB LYS 14 HB1 LYS 14 -6.945 3.494 -1.606 137 1HG LYS 14 HG2 LYS 14 -5.324 5.231 -3.131 138 2HG LYS 14 HG1 LYS 14 -4.850 3.579 -3.531 139 1HD LYS 14 HD2 LYS 14 -6.929 3.042 -4.364 140 2HD LYS 14 HD1 LYS 14 -7.750 4.265 -3.392 141 1HE LYS 14 HE2 LYS 14 -5.901 4.901 -5.684 142 2HE LYS 14 HE1 LYS 14 -7.651 4.758 -5.846 143 1HZ LYS 14 HZ1 LYS 14 -7.772 6.509 -4.049 144 2HZ LYS 14 HZ2 LYS 14 -7.221 7.029 -5.562 145 3HZ LYS 14 HZ3 LYS 14 -6.119 6.767 -4.306 146 H ILE 15 HN ILE 15 -5.844 3.502 1.464 147 HA ILE 15 HA ILE 15 -8.576 3.936 2.021 148 HB ILE 15 HB ILE 15 -6.421 3.186 3.998 149 1HG1 ILE 15 HG12 ILE 15 -6.558 1.781 1.865 150 2HG1 ILE 15 HG11 ILE 15 -6.693 0.919 3.390 151 1HG2 ILE 15 HG21 ILE 15 -8.422 3.751 5.143 152 2HG2 ILE 15 HG22 ILE 15 -8.336 1.990 5.101 153 3HG2 ILE 15 HG23 ILE 15 -9.411 2.847 3.997 154 1HD1 ILE 15 HD11 ILE 15 -8.296 0.045 1.847 155 2HD1 ILE 15 HD12 ILE 15 -8.930 1.658 1.523 156 3HD1 ILE 15 HD13 ILE 15 -9.154 0.925 3.112 157 H GLN 16 HN GLN 16 -5.654 5.650 2.880 158 HA GLN 16 HA GLN 16 -6.749 7.257 4.936 159 1HB GLN 16 HB2 GLN 16 -4.294 6.900 4.454 160 2HB GLN 16 HB1 GLN 16 -4.474 7.999 3.093 161 1HG GLN 16 HG2 GLN 16 -5.160 9.778 4.618 162 2HG GLN 16 HG1 GLN 16 -4.977 8.676 5.982 163 1HE2 GLN 16 HE21 GLN 16 -2.886 7.970 6.553 164 2HE2 GLN 16 HE22 GLN 16 -1.483 8.870 6.098 165 H ASN 17 HN ASN 17 -6.785 7.437 1.458 166 HA ASN 17 HA ASN 17 -7.557 10.169 1.260 167 1HB ASN 17 HB2 ASN 17 -7.904 7.883 -0.692 168 2HB ASN 17 HB1 ASN 17 -8.172 9.582 -1.071 169 1HD2 ASN 17 HD21 ASN 17 -6.175 10.944 -0.184 170 2HD2 ASN 17 HD22 ASN 17 -4.650 10.371 -0.760 171 H TRP 18 HN TRP 18 -9.268 7.177 1.786 172 HA TRP 18 HA TRP 18 -11.860 8.317 1.222 173 1HB TRP 18 HB2 TRP 18 -11.333 5.720 2.660 174 2HB TRP 18 HB1 TRP 18 -12.758 6.180 1.734 175 HD1 TRP 18 HD1 TRP 18 -10.408 3.711 1.343 176 HE1 TRP 18 HE1 TRP 18 -9.650 3.316 -1.085 177 HE3 TRP 18 HE3 TRP 18 -11.944 8.131 -0.722 178 HZ2 TRP 18 HZ2 TRP 18 -9.698 4.692 -3.547 179 HZ3 TRP 18 HZ3 TRP 18 -11.550 8.512 -3.119 180 HH2 TRP 18 HH2 TRP 18 -10.450 6.827 -4.502 181 H LYS 19 HN LYS 19 -9.931 7.535 4.069 182 HA LYS 19 HA LYS 19 -12.050 8.328 5.877 183 1HB LYS 19 HB2 LYS 19 -10.418 7.837 7.653 184 2HB LYS 19 HB1 LYS 19 -10.587 6.496 6.528 185 1HG LYS 19 HG2 LYS 19 -8.471 6.694 5.755 186 2HG LYS 19 HG1 LYS 19 -8.438 8.445 5.964 187 1HD LYS 19 HD2 LYS 19 -7.704 8.310 8.107 188 2HD LYS 19 HD1 LYS 19 -8.598 6.824 8.432 189 1HE LYS 19 HE2 LYS 19 -6.006 7.104 6.920 190 2HE LYS 19 HE1 LYS 19 -6.248 6.335 8.489 191 1HZ LYS 19 HZ1 LYS 19 -7.882 4.853 7.147 192 2HZ LYS 19 HZ2 LYS 19 -6.220 4.541 7.086 193 3HZ LYS 19 HZ3 LYS 19 -6.972 5.362 5.813 194 1HN NH2 20 NH1 NH2 20 -9.175 9.688 4.479 195 2HN NH2 20 NH2 NH2 20 -9.287 11.238 5.233 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 13.804 -10.149 -5.870 2 2H ALA 1 HT2 ALA 1 12.856 -11.116 -4.816 3 3H ALA 1 HT3 ALA 1 13.572 -9.666 -4.242 4 HA ALA 1 HA ALA 1 12.161 -8.337 -5.408 5 1HB ALA 1 HB1 ALA 1 12.023 -9.019 -7.564 6 2HB ALA 1 HB2 ALA 1 10.481 -9.668 -7.004 7 3HB ALA 1 HB3 ALA 1 11.888 -10.724 -7.133 8 H LYS 2 HN LYS 2 12.038 -9.995 -3.002 9 HA LYS 2 HA LYS 2 9.179 -10.588 -2.789 10 1HB LYS 2 HB2 LYS 2 11.403 -11.912 -1.830 11 2HB LYS 2 HB1 LYS 2 10.817 -11.058 -0.410 12 1HG LYS 2 HG2 LYS 2 9.457 -12.794 -0.126 13 2HG LYS 2 HG1 LYS 2 8.517 -12.120 -1.458 14 1HD LYS 2 HD2 LYS 2 10.818 -13.781 -2.245 15 2HD LYS 2 HD1 LYS 2 9.514 -14.636 -1.419 16 1HE LYS 2 HE2 LYS 2 8.932 -12.767 -3.687 17 2HE LYS 2 HE1 LYS 2 9.443 -14.426 -3.996 18 1HZ LYS 2 HZ1 LYS 2 7.535 -15.279 -3.047 19 2HZ LYS 2 HZ2 LYS 2 6.946 -13.899 -3.829 20 3HZ LYS 2 HZ3 LYS 2 7.205 -13.877 -2.158 21 H LYS 3 HN LYS 3 9.938 -7.871 -3.003 22 HA LYS 3 HA LYS 3 9.132 -6.903 -0.334 23 1HB LYS 3 HB2 LYS 3 11.584 -6.435 -1.110 24 2HB LYS 3 HB1 LYS 3 10.841 -5.238 -2.161 25 1HG LYS 3 HG2 LYS 3 9.672 -4.581 0.163 26 2HG LYS 3 HG1 LYS 3 11.198 -5.235 0.763 27 1HD LYS 3 HD2 LYS 3 12.030 -3.669 -1.316 28 2HD LYS 3 HD1 LYS 3 10.653 -2.755 -0.699 29 1HE LYS 3 HE2 LYS 3 11.704 -2.221 1.220 30 2HE LYS 3 HE1 LYS 3 12.473 -3.802 1.356 31 1HZ LYS 3 HZ1 LYS 3 13.348 -1.623 -0.464 32 2HZ LYS 3 HZ2 LYS 3 14.101 -3.126 -0.280 33 3HZ LYS 3 HZ3 LYS 3 14.086 -2.026 1.004 34 H VAL 4 HN VAL 4 7.393 -7.591 -2.396 35 HA VAL 4 HA VAL 4 6.528 -5.307 -3.865 36 HB VAL 4 HB VAL 4 4.730 -7.545 -2.925 37 1HG1 VAL 4 HG11 VAL 4 3.917 -5.397 -4.137 38 2HG1 VAL 4 HG12 VAL 4 3.318 -6.970 -4.663 39 3HG1 VAL 4 HG13 VAL 4 4.596 -6.164 -5.572 40 1HG2 VAL 4 HG21 VAL 4 6.946 -7.612 -4.873 41 2HG2 VAL 4 HG22 VAL 4 5.433 -8.355 -5.391 42 3HG2 VAL 4 HG23 VAL 4 6.231 -8.913 -3.920 43 H PHE 5 HN PHE 5 6.547 -6.197 -0.659 44 HA PHE 5 HA PHE 5 4.350 -5.286 0.594 45 1HB PHE 5 HB2 PHE 5 6.400 -6.311 1.606 46 2HB PHE 5 HB1 PHE 5 7.194 -4.752 1.450 47 HD1 PHE 5 HD1 PHE 5 6.721 -2.959 2.960 48 HD2 PHE 5 HD2 PHE 5 4.553 -6.613 3.200 49 HE1 PHE 5 HE1 PHE 5 5.835 -2.285 5.155 50 HE2 PHE 5 HE2 PHE 5 3.662 -5.945 5.394 51 HZ PHE 5 HZ PHE 5 4.303 -3.779 6.374 52 H LYS 6 HN LYS 6 6.711 -3.426 -1.028 53 HA LYS 6 HA LYS 6 6.132 -0.897 0.102 54 1HB LYS 6 HB2 LYS 6 8.206 -1.413 -1.178 55 2HB LYS 6 HB1 LYS 6 7.244 -1.499 -2.647 56 1HG LYS 6 HG2 LYS 6 6.706 0.975 -1.335 57 2HG LYS 6 HG1 LYS 6 8.451 0.762 -1.476 58 1HD LYS 6 HD2 LYS 6 8.152 1.615 -3.538 59 2HD LYS 6 HD1 LYS 6 7.633 -0.023 -3.941 60 1HE LYS 6 HE2 LYS 6 5.379 0.539 -3.870 61 2HE LYS 6 HE1 LYS 6 5.669 1.977 -2.892 62 1HZ LYS 6 HZ1 LYS 6 6.393 3.172 -4.717 63 2HZ LYS 6 HZ2 LYS 6 5.131 2.256 -5.371 64 3HZ LYS 6 HZ3 LYS 6 6.737 1.793 -5.634 65 H ARG 7 HN ARG 7 4.944 -2.596 -2.774 66 HA ARG 7 HA ARG 7 3.298 -0.498 -3.704 67 1HB ARG 7 HB2 ARG 7 3.468 -3.435 -4.183 68 2HB ARG 7 HB1 ARG 7 1.988 -2.613 -4.660 69 1HG ARG 7 HG2 ARG 7 4.481 -1.312 -5.516 70 2HG ARG 7 HG1 ARG 7 4.150 -2.885 -6.244 71 1HD ARG 7 HD2 ARG 7 2.337 -0.476 -6.244 72 2HD ARG 7 HD1 ARG 7 3.218 -1.131 -7.623 73 HE ARG 7 HE ARG 7 0.738 -2.085 -6.542 74 1HH1 ARG 7 HH11 ARG 7 3.593 -2.986 -8.336 75 2HH1 ARG 7 HH12 ARG 7 2.824 -4.317 -9.133 76 1HH2 ARG 7 HH21 ARG 7 -0.274 -3.836 -7.588 77 2HH2 ARG 7 HH22 ARG 7 0.628 -4.800 -8.710 78 H LEU 8 HN LEU 8 2.924 -2.889 -1.209 79 HA LEU 8 HA LEU 8 0.107 -2.716 -0.940 80 1HB LEU 8 HB2 LEU 8 1.926 -4.388 0.065 81 2HB LEU 8 HB1 LEU 8 1.807 -3.296 1.431 82 HG LEU 8 HG LEU 8 -0.669 -4.496 0.242 83 1HD1 LEU 8 HD11 LEU 8 0.733 -6.401 0.648 84 2HD1 LEU 8 HD12 LEU 8 -0.478 -6.304 1.926 85 3HD1 LEU 8 HD13 LEU 8 1.178 -5.787 2.241 86 1HD2 LEU 8 HD21 LEU 8 -0.352 -2.612 2.129 87 2HD2 LEU 8 HD22 LEU 8 -0.302 -4.058 3.137 88 3HD2 LEU 8 HD23 LEU 8 -1.700 -3.749 2.107 89 H GLU 9 HN GLU 9 2.811 -0.914 0.441 90 HA GLU 9 HA GLU 9 1.279 0.516 2.342 91 1HB GLU 9 HB2 GLU 9 3.177 1.855 2.695 92 2HB GLU 9 HB1 GLU 9 3.827 0.289 2.235 93 1HG GLU 9 HG2 GLU 9 5.004 1.258 0.640 94 2HG GLU 9 HG1 GLU 9 3.515 1.785 -0.139 95 H LYS 10 HN LYS 10 1.802 0.886 -1.075 96 HA LYS 10 HA LYS 10 0.912 3.585 -1.269 97 1HB LYS 10 HB2 LYS 10 2.159 1.927 -2.989 98 2HB LYS 10 HB1 LYS 10 0.509 1.755 -3.571 99 1HG LYS 10 HG2 LYS 10 1.781 4.442 -3.172 100 2HG LYS 10 HG1 LYS 10 1.957 3.528 -4.671 101 1HD LYS 10 HD2 LYS 10 0.075 4.590 -5.287 102 2HD LYS 10 HD1 LYS 10 -0.733 3.398 -4.268 103 1HE LYS 10 HE2 LYS 10 -1.589 5.165 -3.195 104 2HE LYS 10 HE1 LYS 10 0.004 5.307 -2.454 105 1HZ LYS 10 HZ1 LYS 10 0.639 6.844 -4.213 106 2HZ LYS 10 HZ2 LYS 10 -0.719 7.411 -3.379 107 3HZ LYS 10 HZ3 LYS 10 -0.898 6.714 -4.909 108 H LEU 11 HN LEU 11 -0.657 0.430 -1.691 109 HA LEU 11 HA LEU 11 -3.204 1.474 -2.359 110 1HB LEU 11 HB2 LEU 11 -2.125 -1.003 -2.383 111 2HB LEU 11 HB1 LEU 11 -3.070 -1.105 -0.910 112 HG LEU 11 HG LEU 11 -5.084 -0.422 -2.219 113 1HD1 LEU 11 HD11 LEU 11 -3.765 -1.132 -4.756 114 2HD1 LEU 11 HD12 LEU 11 -3.368 0.453 -4.093 115 3HD1 LEU 11 HD13 LEU 11 -5.048 0.032 -4.426 116 1HD2 LEU 11 HD21 LEU 11 -5.482 -2.580 -3.124 117 2HD2 LEU 11 HD22 LEU 11 -4.440 -2.800 -1.719 118 3HD2 LEU 11 HD23 LEU 11 -3.758 -2.879 -3.343 119 H PHE 12 HN PHE 12 -1.546 0.863 0.645 120 HA PHE 12 HA PHE 12 -3.811 1.057 2.348 121 1HB PHE 12 HB2 PHE 12 -1.044 0.561 2.650 122 2HB PHE 12 HB1 PHE 12 -1.405 1.967 3.645 123 HD1 PHE 12 HD1 PHE 12 -1.937 -1.603 3.174 124 HD2 PHE 12 HD2 PHE 12 -2.951 1.801 5.518 125 HE1 PHE 12 HE1 PHE 12 -2.845 -3.081 4.920 126 HE2 PHE 12 HE2 PHE 12 -3.860 0.330 7.269 127 HZ PHE 12 HZ PHE 12 -3.807 -2.114 6.971 128 H SER 13 HN SER 13 -1.674 3.359 0.827 129 HA SER 13 HA SER 13 -2.339 5.606 2.417 130 1HB SER 13 HB2 SER 13 -0.989 5.143 -0.187 131 2HB SER 13 HB1 SER 13 -1.667 6.751 0.070 132 HG SER 13 HG SER 13 0.507 5.549 1.238 133 H LYS 14 HN LYS 14 -3.781 4.127 -0.426 134 HA LYS 14 HA LYS 14 -5.574 6.238 -1.029 135 1HB LYS 14 HB2 LYS 14 -5.573 3.294 -1.678 136 2HB LYS 14 HB1 LYS 14 -6.867 4.362 -2.204 137 1HG LYS 14 HG2 LYS 14 -5.180 5.752 -3.371 138 2HG LYS 14 HG1 LYS 14 -3.953 4.564 -2.929 139 1HD LYS 14 HD2 LYS 14 -5.554 2.863 -4.058 140 2HD LYS 14 HD1 LYS 14 -6.261 4.291 -4.818 141 1HE LYS 14 HE2 LYS 14 -3.327 3.614 -4.913 142 2HE LYS 14 HE1 LYS 14 -4.481 3.148 -6.162 143 1HZ LYS 14 HZ1 LYS 14 -3.229 5.228 -6.627 144 2HZ LYS 14 HZ2 LYS 14 -4.020 5.955 -5.321 145 3HZ LYS 14 HZ3 LYS 14 -4.910 5.417 -6.655 146 H ILE 15 HN ILE 15 -5.687 3.506 1.156 147 HA ILE 15 HA ILE 15 -8.459 3.666 1.759 148 HB ILE 15 HB ILE 15 -6.269 2.590 3.540 149 1HG1 ILE 15 HG12 ILE 15 -7.885 1.141 1.431 150 2HG1 ILE 15 HG11 ILE 15 -6.189 1.589 1.277 151 1HG2 ILE 15 HG21 ILE 15 -8.956 1.382 3.495 152 2HG2 ILE 15 HG22 ILE 15 -8.849 3.001 4.187 153 3HG2 ILE 15 HG23 ILE 15 -7.870 1.691 4.849 154 1HD1 ILE 15 HD11 ILE 15 -7.380 -0.364 3.228 155 2HD1 ILE 15 HD12 ILE 15 -5.696 0.162 3.243 156 3HD1 ILE 15 HD13 ILE 15 -6.331 -0.722 1.856 157 H GLN 16 HN GLN 16 -5.598 5.284 2.935 158 HA GLN 16 HA GLN 16 -6.768 6.379 5.287 159 1HB GLN 16 HB2 GLN 16 -4.251 6.150 4.568 160 2HB GLN 16 HB1 GLN 16 -4.520 7.725 3.835 161 1HG GLN 16 HG2 GLN 16 -5.537 7.701 6.517 162 2HG GLN 16 HG1 GLN 16 -3.860 7.158 6.493 163 1HE2 GLN 16 HE21 GLN 16 -2.520 8.753 6.890 164 2HE2 GLN 16 HE22 GLN 16 -2.678 10.384 6.343 165 H ASN 17 HN ASN 17 -6.644 7.323 1.927 166 HA ASN 17 HA ASN 17 -7.525 10.011 2.337 167 1HB ASN 17 HB2 ASN 17 -7.435 8.235 -0.104 168 2HB ASN 17 HB1 ASN 17 -8.009 9.899 -0.152 169 1HD2 ASN 17 HD21 ASN 17 -5.588 8.343 -1.205 170 2HD2 ASN 17 HD22 ASN 17 -4.254 9.366 -0.807 171 H TRP 18 HN TRP 18 -9.079 6.918 1.888 172 HA TRP 18 HA TRP 18 -11.693 8.091 1.463 173 1HB TRP 18 HB2 TRP 18 -10.488 5.463 1.190 174 2HB TRP 18 HB1 TRP 18 -12.033 5.375 2.028 175 HD1 TRP 18 HD1 TRP 18 -11.321 7.882 -0.802 176 HE1 TRP 18 HE1 TRP 18 -12.892 7.348 -2.769 177 HE3 TRP 18 HE3 TRP 18 -13.412 3.569 0.976 178 HZ2 TRP 18 HZ2 TRP 18 -14.768 5.361 -3.474 179 HZ3 TRP 18 HZ3 TRP 18 -15.086 2.412 -0.407 180 HH2 TRP 18 HH2 TRP 18 -15.750 3.291 -2.586 181 H LYS 19 HN LYS 19 -9.828 6.718 4.078 182 HA LYS 19 HA LYS 19 -11.971 6.348 5.898 183 1HB LYS 19 HB2 LYS 19 -9.041 6.243 5.975 184 2HB LYS 19 HB1 LYS 19 -9.766 6.778 7.484 185 1HG LYS 19 HG2 LYS 19 -10.866 4.773 7.821 186 2HG LYS 19 HG1 LYS 19 -10.790 4.329 6.115 187 1HD LYS 19 HD2 LYS 19 -9.117 2.987 6.829 188 2HD LYS 19 HD1 LYS 19 -8.162 4.462 6.677 189 1HE LYS 19 HE2 LYS 19 -7.635 4.243 8.826 190 2HE LYS 19 HE1 LYS 19 -9.316 4.611 9.209 191 1HZ LYS 19 HZ1 LYS 19 -8.014 1.971 8.988 192 2HZ LYS 19 HZ2 LYS 19 -9.692 2.125 8.843 193 3HZ LYS 19 HZ3 LYS 19 -8.920 2.603 10.270 194 1HN NH2 20 NH1 NH2 20 -13.135 7.824 6.893 195 2HN NH2 20 NH2 NH2 20 -12.663 9.451 7.234 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 13.348 -9.256 -7.651 2 2H ALA 1 HT2 ALA 1 11.635 -9.178 -7.731 3 3H ALA 1 HT3 ALA 1 12.401 -10.500 -6.949 4 HA ALA 1 HA ALA 1 13.323 -8.987 -5.330 5 1HB ALA 1 HB1 ALA 1 13.273 -6.989 -6.777 6 2HB ALA 1 HB2 ALA 1 12.521 -6.713 -5.206 7 3HB ALA 1 HB3 ALA 1 11.515 -6.957 -6.634 8 H LYS 2 HN LYS 2 12.378 -9.552 -3.485 9 HA LYS 2 HA LYS 2 9.518 -10.179 -3.514 10 1HB LYS 2 HB2 LYS 2 11.446 -11.759 -2.688 11 2HB LYS 2 HB1 LYS 2 11.326 -10.810 -1.213 12 1HG LYS 2 HG2 LYS 2 8.742 -11.722 -2.202 13 2HG LYS 2 HG1 LYS 2 9.852 -13.038 -1.816 14 1HD LYS 2 HD2 LYS 2 10.248 -11.567 0.355 15 2HD LYS 2 HD1 LYS 2 8.625 -10.996 -0.038 16 1HE LYS 2 HE2 LYS 2 7.669 -13.061 0.309 17 2HE LYS 2 HE1 LYS 2 9.167 -13.928 -0.025 18 1HZ LYS 2 HZ1 LYS 2 8.203 -13.574 2.419 19 2HZ LYS 2 HZ2 LYS 2 9.182 -12.199 2.312 20 3HZ LYS 2 HZ3 LYS 2 9.856 -13.735 2.097 21 H LYS 3 HN LYS 3 10.295 -7.446 -3.441 22 HA LYS 3 HA LYS 3 9.481 -6.691 -0.702 23 1HB LYS 3 HB2 LYS 3 11.778 -5.926 -1.687 24 2HB LYS 3 HB1 LYS 3 10.809 -4.787 -2.613 25 1HG LYS 3 HG2 LYS 3 11.514 -3.621 -0.704 26 2HG LYS 3 HG1 LYS 3 9.824 -4.035 -0.407 27 1HD LYS 3 HD2 LYS 3 10.949 -4.520 1.605 28 2HD LYS 3 HD1 LYS 3 10.700 -6.081 0.822 29 1HE LYS 3 HE2 LYS 3 12.930 -6.065 1.637 30 2HE LYS 3 HE1 LYS 3 13.022 -5.869 -0.113 31 1HZ LYS 3 HZ1 LYS 3 12.942 -3.328 0.665 32 2HZ LYS 3 HZ2 LYS 3 14.383 -4.188 0.451 33 3HZ LYS 3 HZ3 LYS 3 13.728 -4.008 2.001 34 H VAL 4 HN VAL 4 7.623 -7.502 -2.602 35 HA VAL 4 HA VAL 4 6.376 -5.282 -3.885 36 HB VAL 4 HB VAL 4 5.816 -7.588 -4.534 37 1HG1 VAL 4 HG11 VAL 4 5.989 -8.713 -2.422 38 2HG1 VAL 4 HG12 VAL 4 4.357 -8.946 -3.049 39 3HG1 VAL 4 HG13 VAL 4 4.648 -7.776 -1.762 40 1HG2 VAL 4 HG21 VAL 4 3.350 -6.331 -3.358 41 2HG2 VAL 4 HG22 VAL 4 3.494 -7.288 -4.833 42 3HG2 VAL 4 HG23 VAL 4 4.178 -5.664 -4.765 43 H PHE 5 HN PHE 5 6.843 -6.230 -0.738 44 HA PHE 5 HA PHE 5 4.681 -5.609 0.755 45 1HB PHE 5 HB2 PHE 5 6.912 -6.466 1.518 46 2HB PHE 5 HB1 PHE 5 7.529 -4.828 1.373 47 HD1 PHE 5 HD1 PHE 5 7.913 -3.954 3.462 48 HD2 PHE 5 HD2 PHE 5 4.378 -6.230 2.804 49 HE1 PHE 5 HE1 PHE 5 7.179 -3.471 5.760 50 HE2 PHE 5 HE2 PHE 5 3.637 -5.751 5.100 51 HZ PHE 5 HZ PHE 5 5.038 -4.370 6.582 52 H LYS 6 HN LYS 6 6.666 -3.474 -1.017 53 HA LYS 6 HA LYS 6 5.947 -1.058 0.292 54 1HB LYS 6 HB2 LYS 6 7.922 -1.533 -1.338 55 2HB LYS 6 HB1 LYS 6 6.748 -1.188 -2.601 56 1HG LYS 6 HG2 LYS 6 6.729 1.022 -2.168 57 2HG LYS 6 HG1 LYS 6 6.914 0.794 -0.428 58 1HD LYS 6 HD2 LYS 6 9.317 0.027 -1.044 59 2HD LYS 6 HD1 LYS 6 9.011 0.869 -2.564 60 1HE LYS 6 HE2 LYS 6 8.567 2.927 -1.374 61 2HE LYS 6 HE1 LYS 6 8.740 2.102 0.174 62 1HZ LYS 6 HZ1 LYS 6 10.748 3.280 -0.331 63 2HZ LYS 6 HZ2 LYS 6 10.872 2.538 -1.846 64 3HZ LYS 6 HZ3 LYS 6 11.062 1.621 -0.437 65 H ARG 7 HN ARG 7 4.624 -2.893 -2.398 66 HA ARG 7 HA ARG 7 2.775 -0.951 -3.279 67 1HB ARG 7 HB2 ARG 7 3.258 -3.807 -3.725 68 2HB ARG 7 HB1 ARG 7 1.558 -3.365 -3.807 69 1HG ARG 7 HG2 ARG 7 2.376 -1.477 -5.378 70 2HG ARG 7 HG1 ARG 7 3.827 -2.471 -5.531 71 1HD ARG 7 HD2 ARG 7 1.261 -3.890 -5.827 72 2HD ARG 7 HD1 ARG 7 1.642 -2.728 -7.097 73 HE ARG 7 HE ARG 7 3.845 -4.446 -6.530 74 1HH1 ARG 7 HH11 ARG 7 0.801 -4.273 -8.228 75 2HH1 ARG 7 HH12 ARG 7 1.246 -5.462 -9.405 76 1HH2 ARG 7 HH21 ARG 7 4.433 -6.011 -8.078 77 2HH2 ARG 7 HH22 ARG 7 3.307 -6.450 -9.319 78 H LEU 8 HN LEU 8 2.750 -3.310 -0.697 79 HA LEU 8 HA LEU 8 -0.011 -3.239 -0.121 80 1HB LEU 8 HB2 LEU 8 2.442 -4.161 1.238 81 2HB LEU 8 HB1 LEU 8 1.104 -3.762 2.298 82 HG LEU 8 HG LEU 8 -0.291 -5.311 0.765 83 1HD1 LEU 8 HD11 LEU 8 1.467 -7.196 0.053 84 2HD1 LEU 8 HD12 LEU 8 2.465 -5.764 -0.198 85 3HD1 LEU 8 HD13 LEU 8 0.923 -5.924 -1.041 86 1HD2 LEU 8 HD21 LEU 8 -0.090 -6.895 2.360 87 2HD2 LEU 8 HD22 LEU 8 0.885 -5.661 3.158 88 3HD2 LEU 8 HD23 LEU 8 1.669 -6.947 2.240 89 H GLU 9 HN GLU 9 2.735 -1.373 1.163 90 HA GLU 9 HA GLU 9 1.185 0.139 2.984 91 1HB GLU 9 HB2 GLU 9 3.097 1.605 3.164 92 2HB GLU 9 HB1 GLU 9 3.661 -0.058 3.099 93 1HG GLU 9 HG2 GLU 9 4.686 0.220 1.104 94 2HG GLU 9 HG1 GLU 9 3.504 1.395 0.531 95 H LYS 10 HN LYS 10 1.753 0.362 -0.431 96 HA LYS 10 HA LYS 10 0.927 3.070 -0.754 97 1HB LYS 10 HB2 LYS 10 1.479 0.762 -2.539 98 2HB LYS 10 HB1 LYS 10 0.426 2.017 -3.177 99 1HG LYS 10 HG2 LYS 10 2.090 3.616 -3.146 100 2HG LYS 10 HG1 LYS 10 3.034 2.757 -1.929 101 1HD LYS 10 HD2 LYS 10 4.256 2.380 -3.860 102 2HD LYS 10 HD1 LYS 10 3.258 0.929 -3.758 103 1HE LYS 10 HE2 LYS 10 2.044 3.170 -5.218 104 2HE LYS 10 HE1 LYS 10 3.492 2.497 -5.965 105 1HZ LYS 10 HZ1 LYS 10 2.458 0.572 -6.443 106 2HZ LYS 10 HZ2 LYS 10 1.058 1.516 -6.351 107 3HZ LYS 10 HZ3 LYS 10 1.528 0.572 -5.029 108 H LEU 11 HN LEU 11 -0.704 -0.055 -0.815 109 HA LEU 11 HA LEU 11 -3.209 0.910 -1.721 110 1HB LEU 11 HB2 LEU 11 -2.092 -1.582 -0.945 111 2HB LEU 11 HB1 LEU 11 -3.542 -1.347 0.011 112 HG LEU 11 HG LEU 11 -4.036 -2.600 -2.015 113 1HD1 LEU 11 HD11 LEU 11 -5.515 -0.629 -1.015 114 2HD1 LEU 11 HD12 LEU 11 -6.004 -1.554 -2.435 115 3HD1 LEU 11 HD13 LEU 11 -5.251 0.029 -2.630 116 1HD2 LEU 11 HD21 LEU 11 -2.133 -1.148 -3.232 117 2HD2 LEU 11 HD22 LEU 11 -3.569 -0.294 -3.795 118 3HD2 LEU 11 HD23 LEU 11 -3.395 -2.021 -4.102 119 H PHE 12 HN PHE 12 -1.692 0.669 1.424 120 HA PHE 12 HA PHE 12 -4.014 1.196 2.966 121 1HB PHE 12 HB2 PHE 12 -1.445 0.460 3.553 122 2HB PHE 12 HB1 PHE 12 -1.449 2.144 4.065 123 HD1 PHE 12 HD1 PHE 12 -3.935 2.658 5.258 124 HD2 PHE 12 HD2 PHE 12 -1.706 -0.967 5.319 125 HE1 PHE 12 HE1 PHE 12 -5.044 2.016 7.359 126 HE2 PHE 12 HE2 PHE 12 -2.811 -1.616 7.420 127 HZ PHE 12 HZ PHE 12 -4.483 -0.123 8.442 128 H SER 13 HN SER 13 -1.726 3.186 1.246 129 HA SER 13 HA SER 13 -2.382 5.654 2.480 130 1HB SER 13 HB2 SER 13 -1.168 5.003 -0.213 131 2HB SER 13 HB1 SER 13 -1.356 6.647 0.394 132 HG SER 13 HG SER 13 0.696 5.902 0.910 133 H LYS 14 HN LYS 14 -3.708 3.837 -0.218 134 HA LYS 14 HA LYS 14 -5.379 5.898 -1.220 135 1HB LYS 14 HB2 LYS 14 -5.000 3.028 -1.672 136 2HB LYS 14 HB1 LYS 14 -6.671 3.542 -1.858 137 1HG LYS 14 HG2 LYS 14 -5.683 3.676 -3.994 138 2HG LYS 14 HG1 LYS 14 -5.834 5.335 -3.411 139 1HD LYS 14 HD2 LYS 14 -3.454 5.195 -2.650 140 2HD LYS 14 HD1 LYS 14 -3.347 3.631 -3.459 141 1HE LYS 14 HE2 LYS 14 -4.345 5.977 -4.999 142 2HE LYS 14 HE1 LYS 14 -2.617 5.854 -4.671 143 1HZ LYS 14 HZ1 LYS 14 -3.041 4.822 -6.750 144 2HZ LYS 14 HZ2 LYS 14 -4.311 3.899 -6.121 145 3HZ LYS 14 HZ3 LYS 14 -2.720 3.581 -5.644 146 H ILE 15 HN ILE 15 -5.763 3.437 1.259 147 HA ILE 15 HA ILE 15 -8.545 3.811 1.669 148 HB ILE 15 HB ILE 15 -6.517 2.855 3.696 149 1HG1 ILE 15 HG12 ILE 15 -8.127 1.221 1.721 150 2HG1 ILE 15 HG11 ILE 15 -6.413 1.587 1.554 151 1HG2 ILE 15 HG21 ILE 15 -8.777 1.484 4.209 152 2HG2 ILE 15 HG22 ILE 15 -9.459 2.996 3.607 153 3HG2 ILE 15 HG23 ILE 15 -8.360 3.011 4.986 154 1HD1 ILE 15 HD11 ILE 15 -6.541 0.507 4.061 155 2HD1 ILE 15 HD12 ILE 15 -6.088 -0.353 2.590 156 3HD1 ILE 15 HD13 ILE 15 -7.750 -0.422 3.176 157 H GLN 16 HN GLN 16 -5.673 5.431 2.808 158 HA GLN 16 HA GLN 16 -6.887 6.857 4.944 159 1HB GLN 16 HB2 GLN 16 -4.421 7.499 3.313 160 2HB GLN 16 HB1 GLN 16 -4.884 8.315 4.800 161 1HG GLN 16 HG2 GLN 16 -4.866 5.536 5.325 162 2HG GLN 16 HG1 GLN 16 -3.380 5.929 4.462 163 1HE2 GLN 16 HE21 GLN 16 -1.839 7.171 5.441 164 2HE2 GLN 16 HE22 GLN 16 -1.905 7.633 7.105 165 H ASN 17 HN ASN 17 -6.633 7.355 1.498 166 HA ASN 17 HA ASN 17 -7.386 10.102 1.499 167 1HB ASN 17 HB2 ASN 17 -7.086 7.960 -0.548 168 2HB ASN 17 HB1 ASN 17 -8.078 9.352 -0.971 169 1HD2 ASN 17 HD21 ASN 17 -5.799 8.804 -2.357 170 2HD2 ASN 17 HD22 ASN 17 -4.602 10.004 -2.019 171 H TRP 18 HN TRP 18 -9.126 7.072 1.502 172 HA TRP 18 HA TRP 18 -11.668 8.322 0.905 173 1HB TRP 18 HB2 TRP 18 -11.164 5.504 1.874 174 2HB TRP 18 HB1 TRP 18 -12.606 6.112 1.068 175 HD1 TRP 18 HD1 TRP 18 -10.516 7.721 -1.105 176 HE1 TRP 18 HE1 TRP 18 -9.676 6.288 -3.071 177 HE3 TRP 18 HE3 TRP 18 -11.450 3.077 0.817 178 HZ2 TRP 18 HZ2 TRP 18 -9.440 3.551 -3.721 179 HZ3 TRP 18 HZ3 TRP 18 -10.889 1.104 -0.541 180 HH2 TRP 18 HH2 TRP 18 -9.905 1.338 -2.763 181 H LYS 19 HN LYS 19 -9.934 7.101 3.707 182 HA LYS 19 HA LYS 19 -12.167 7.465 5.491 183 1HB LYS 19 HB2 LYS 19 -9.803 6.012 5.577 184 2HB LYS 19 HB1 LYS 19 -9.551 7.284 6.764 185 1HG LYS 19 HG2 LYS 19 -11.938 6.577 7.577 186 2HG LYS 19 HG1 LYS 19 -11.539 5.071 6.749 187 1HD LYS 19 HD2 LYS 19 -9.338 5.169 8.078 188 2HD LYS 19 HD1 LYS 19 -10.166 6.357 9.086 189 1HE LYS 19 HE2 LYS 19 -11.590 4.817 9.971 190 2HE LYS 19 HE1 LYS 19 -11.597 3.826 8.513 191 1HZ LYS 19 HZ1 LYS 19 -9.126 3.992 10.082 192 2HZ LYS 19 HZ2 LYS 19 -9.724 2.715 9.148 193 3HZ LYS 19 HZ3 LYS 19 -10.388 3.031 10.671 194 1HN NH2 20 NH1 NH2 20 -12.743 9.609 5.377 195 2HN NH2 20 NH2 NH2 20 -11.755 10.891 5.981 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 8.358 -10.822 -6.570 2 2H ALA 1 HT2 ALA 1 9.068 -9.561 -7.492 3 3H ALA 1 HT3 ALA 1 7.777 -9.217 -6.415 4 HA ALA 1 HA ALA 1 10.410 -10.256 -5.619 5 1HB ALA 1 HB1 ALA 1 10.688 -8.044 -6.526 6 2HB ALA 1 HB2 ALA 1 10.801 -7.964 -4.768 7 3HB ALA 1 HB3 ALA 1 9.325 -7.444 -5.582 8 H LYS 2 HN LYS 2 10.698 -10.400 -3.384 9 HA LYS 2 HA LYS 2 8.292 -10.941 -1.908 10 1HB LYS 2 HB2 LYS 2 9.787 -11.675 -0.126 11 2HB LYS 2 HB1 LYS 2 10.268 -12.371 -1.667 12 1HG LYS 2 HG2 LYS 2 11.801 -10.161 -1.656 13 2HG LYS 2 HG1 LYS 2 11.680 -10.467 0.078 14 1HD LYS 2 HD2 LYS 2 12.166 -12.969 -0.936 15 2HD LYS 2 HD1 LYS 2 13.126 -11.936 -1.996 16 1HE LYS 2 HE2 LYS 2 14.687 -12.041 -0.398 17 2HE LYS 2 HE1 LYS 2 13.668 -10.905 0.484 18 1HZ LYS 2 HZ1 LYS 2 12.535 -13.217 1.156 19 2HZ LYS 2 HZ2 LYS 2 13.771 -12.491 2.054 20 3HZ LYS 2 HZ3 LYS 2 14.136 -13.729 0.960 21 H LYS 3 HN LYS 3 9.924 -8.130 -2.534 22 HA LYS 3 HA LYS 3 9.119 -6.942 0.046 23 1HB LYS 3 HB2 LYS 3 11.618 -6.893 -0.953 24 2HB LYS 3 HB1 LYS 3 10.973 -5.468 -1.753 25 1HG LYS 3 HG2 LYS 3 11.550 -4.369 0.092 26 2HG LYS 3 HG1 LYS 3 10.138 -5.124 0.834 27 1HD LYS 3 HD2 LYS 3 12.245 -7.008 0.938 28 2HD LYS 3 HD1 LYS 3 12.904 -5.461 1.474 29 1HE LYS 3 HE2 LYS 3 12.074 -6.527 3.412 30 2HE LYS 3 HE1 LYS 3 10.899 -5.279 2.999 31 1HZ LYS 3 HZ1 LYS 3 10.166 -7.719 3.570 32 2HZ LYS 3 HZ2 LYS 3 10.478 -7.968 1.926 33 3HZ LYS 3 HZ3 LYS 3 9.344 -6.807 2.404 34 H VAL 4 HN VAL 4 7.305 -7.429 -2.021 35 HA VAL 4 HA VAL 4 6.790 -5.063 -3.530 36 HB VAL 4 HB VAL 4 5.757 -7.196 -4.172 37 1HG1 VAL 4 HG11 VAL 4 5.170 -8.496 -2.433 38 2HG1 VAL 4 HG12 VAL 4 3.625 -7.657 -2.568 39 3HG1 VAL 4 HG13 VAL 4 4.819 -7.120 -1.387 40 1HG2 VAL 4 HG21 VAL 4 3.529 -6.402 -4.622 41 2HG2 VAL 4 HG22 VAL 4 4.655 -5.051 -4.752 42 3HG2 VAL 4 HG23 VAL 4 3.644 -5.221 -3.317 43 H PHE 5 HN PHE 5 6.652 -5.907 -0.319 44 HA PHE 5 HA PHE 5 4.588 -4.775 0.932 45 1HB PHE 5 HB2 PHE 5 6.522 -5.913 1.985 46 2HB PHE 5 HB1 PHE 5 7.488 -4.473 1.706 47 HD1 PHE 5 HD1 PHE 5 4.012 -4.894 2.991 48 HD2 PHE 5 HD2 PHE 5 7.975 -3.544 3.757 49 HE1 PHE 5 HE1 PHE 5 3.280 -3.985 5.158 50 HE2 PHE 5 HE2 PHE 5 7.251 -2.634 5.925 51 HZ PHE 5 HZ PHE 5 4.901 -2.855 6.628 52 H LYS 6 HN LYS 6 7.096 -3.108 -0.703 53 HA LYS 6 HA LYS 6 6.617 -0.523 0.356 54 1HB LYS 6 HB2 LYS 6 8.558 -1.582 -1.230 55 2HB LYS 6 HB1 LYS 6 7.619 -0.692 -2.420 56 1HG LYS 6 HG2 LYS 6 8.171 1.337 -1.549 57 2HG LYS 6 HG1 LYS 6 8.353 0.708 0.090 58 1HD LYS 6 HD2 LYS 6 10.276 -0.342 -1.872 59 2HD LYS 6 HD1 LYS 6 10.420 1.384 -1.533 60 1HE LYS 6 HE2 LYS 6 11.825 0.370 0.036 61 2HE LYS 6 HE1 LYS 6 10.349 0.717 0.936 62 1HZ LYS 6 HZ1 LYS 6 10.476 -1.888 -0.343 63 2HZ LYS 6 HZ2 LYS 6 9.883 -1.457 1.181 64 3HZ LYS 6 HZ3 LYS 6 11.547 -1.651 0.946 65 H ARG 7 HN ARG 7 5.595 -2.107 -2.659 66 HA ARG 7 HA ARG 7 3.996 0.017 -3.584 67 1HB ARG 7 HB2 ARG 7 4.288 -2.865 -4.207 68 2HB ARG 7 HB1 ARG 7 2.754 -2.131 -4.653 69 1HG ARG 7 HG2 ARG 7 3.667 -1.238 -6.457 70 2HG ARG 7 HG1 ARG 7 4.871 -0.406 -5.472 71 1HD ARG 7 HD2 ARG 7 5.369 -3.272 -5.843 72 2HD ARG 7 HD1 ARG 7 5.418 -2.326 -7.330 73 HE ARG 7 HE ARG 7 6.936 -1.182 -5.171 74 1HH1 ARG 7 HH11 ARG 7 6.998 -3.425 -7.845 75 2HH1 ARG 7 HH12 ARG 7 8.718 -3.350 -8.030 76 1HH2 ARG 7 HH21 ARG 7 9.198 -1.081 -5.415 77 2HH2 ARG 7 HH22 ARG 7 9.967 -2.020 -6.650 78 H LEU 8 HN LEU 8 3.474 -2.507 -1.245 79 HA LEU 8 HA LEU 8 0.651 -2.351 -1.120 80 1HB LEU 8 HB2 LEU 8 2.783 -3.348 0.739 81 2HB LEU 8 HB1 LEU 8 1.117 -3.254 1.278 82 HG LEU 8 HG LEU 8 1.978 -4.793 -1.167 83 1HD1 LEU 8 HD11 LEU 8 1.182 -6.263 1.247 84 2HD1 LEU 8 HD12 LEU 8 2.744 -5.451 1.343 85 3HD1 LEU 8 HD13 LEU 8 2.435 -6.619 0.058 86 1HD2 LEU 8 HD21 LEU 8 -0.172 -5.538 -1.324 87 2HD2 LEU 8 HD22 LEU 8 -0.469 -3.936 -0.650 88 3HD2 LEU 8 HD23 LEU 8 -0.482 -5.351 0.402 89 H GLU 9 HN GLU 9 3.261 -0.539 0.384 90 HA GLU 9 HA GLU 9 1.676 0.781 2.320 91 1HB GLU 9 HB2 GLU 9 3.578 1.903 2.882 92 2HB GLU 9 HB1 GLU 9 4.320 0.626 1.932 93 1HG GLU 9 HG2 GLU 9 4.089 2.261 -0.044 94 2HG GLU 9 HG1 GLU 9 3.845 3.487 1.198 95 H LYS 10 HN LYS 10 2.291 1.348 -1.071 96 HA LYS 10 HA LYS 10 1.259 4.003 -1.141 97 1HB LYS 10 HB2 LYS 10 1.999 1.936 -3.150 98 2HB LYS 10 HB1 LYS 10 0.898 3.203 -3.673 99 1HG LYS 10 HG2 LYS 10 2.474 4.867 -3.417 100 2HG LYS 10 HG1 LYS 10 3.432 3.926 -2.272 101 1HD LYS 10 HD2 LYS 10 4.618 2.940 -3.901 102 2HD LYS 10 HD1 LYS 10 3.192 2.682 -4.908 103 1HE LYS 10 HE2 LYS 10 3.340 5.250 -5.302 104 2HE LYS 10 HE1 LYS 10 5.007 5.054 -4.760 105 1HZ LYS 10 HZ1 LYS 10 4.264 4.788 -7.287 106 2HZ LYS 10 HZ2 LYS 10 4.081 3.183 -6.787 107 3HZ LYS 10 HZ3 LYS 10 5.579 3.952 -6.626 108 H LEU 11 HN LEU 11 -0.110 0.801 -1.780 109 HA LEU 11 HA LEU 11 -2.682 1.719 -2.517 110 1HB LEU 11 HB2 LEU 11 -1.386 -0.825 -1.986 111 2HB LEU 11 HB1 LEU 11 -3.019 -0.798 -1.349 112 HG LEU 11 HG LEU 11 -2.434 -0.001 -4.187 113 1HD1 LEU 11 HD11 LEU 11 -2.481 -2.696 -2.983 114 2HD1 LEU 11 HD12 LEU 11 -1.671 -2.113 -4.437 115 3HD1 LEU 11 HD13 LEU 11 -3.395 -2.482 -4.475 116 1HD2 LEU 11 HD21 LEU 11 -4.592 0.599 -3.857 117 2HD2 LEU 11 HD22 LEU 11 -4.822 -0.537 -2.528 118 3HD2 LEU 11 HD23 LEU 11 -4.867 -1.109 -4.195 119 H PHE 12 HN PHE 12 -1.118 1.097 0.541 120 HA PHE 12 HA PHE 12 -3.453 1.086 2.150 121 1HB PHE 12 HB2 PHE 12 -1.192 0.243 2.858 122 2HB PHE 12 HB1 PHE 12 -0.663 1.918 2.973 123 HD1 PHE 12 HD1 PHE 12 -1.925 3.450 4.571 124 HD2 PHE 12 HD2 PHE 12 -2.255 -0.792 4.648 125 HE1 PHE 12 HE1 PHE 12 -2.771 3.562 6.879 126 HE2 PHE 12 HE2 PHE 12 -3.102 -0.688 6.956 127 HZ PHE 12 HZ PHE 12 -3.362 1.491 8.074 128 H SER 13 HN SER 13 -1.420 3.593 0.808 129 HA SER 13 HA SER 13 -2.326 5.729 2.425 130 1HB SER 13 HB2 SER 13 -0.305 5.617 0.779 131 2HB SER 13 HB1 SER 13 -1.486 6.107 -0.437 132 HG SER 13 HG SER 13 -1.237 8.052 0.283 133 H LYS 14 HN LYS 14 -3.508 4.290 -0.567 134 HA LYS 14 HA LYS 14 -5.455 6.265 -1.134 135 1HB LYS 14 HB2 LYS 14 -5.550 3.335 -1.876 136 2HB LYS 14 HB1 LYS 14 -6.402 4.651 -2.671 137 1HG LYS 14 HG2 LYS 14 -3.625 5.259 -2.666 138 2HG LYS 14 HG1 LYS 14 -3.838 3.606 -3.245 139 1HD LYS 14 HD2 LYS 14 -5.806 4.817 -4.612 140 2HD LYS 14 HD1 LYS 14 -4.685 6.170 -4.451 141 1HE LYS 14 HE2 LYS 14 -4.021 3.452 -5.579 142 2HE LYS 14 HE1 LYS 14 -4.303 4.916 -6.521 143 1HZ LYS 14 HZ1 LYS 14 -1.973 4.122 -4.980 144 2HZ LYS 14 HZ2 LYS 14 -2.400 5.755 -4.868 145 3HZ LYS 14 HZ3 LYS 14 -2.077 5.068 -6.379 146 H ILE 15 HN ILE 15 -5.487 3.308 0.780 147 HA ILE 15 HA ILE 15 -8.270 3.293 1.311 148 HB ILE 15 HB ILE 15 -6.071 2.157 3.045 149 1HG1 ILE 15 HG12 ILE 15 -7.624 0.792 0.837 150 2HG1 ILE 15 HG11 ILE 15 -5.975 1.384 0.669 151 1HG2 ILE 15 HG21 ILE 15 -9.034 1.881 2.984 152 2HG2 ILE 15 HG22 ILE 15 -7.937 1.992 4.361 153 3HG2 ILE 15 HG23 ILE 15 -8.061 0.486 3.452 154 1HD1 ILE 15 HD11 ILE 15 -6.053 -1.019 1.077 155 2HD1 ILE 15 HD12 ILE 15 -6.881 -0.731 2.608 156 3HD1 ILE 15 HD13 ILE 15 -5.227 -0.163 2.379 157 H GLN 16 HN GLN 16 -5.537 4.940 2.722 158 HA GLN 16 HA GLN 16 -6.813 5.748 5.128 159 1HB GLN 16 HB2 GLN 16 -4.274 5.752 4.415 160 2HB GLN 16 HB1 GLN 16 -4.648 7.380 3.866 161 1HG GLN 16 HG2 GLN 16 -5.243 8.074 6.053 162 2HG GLN 16 HG1 GLN 16 -5.210 6.417 6.655 163 1HE2 GLN 16 HE21 GLN 16 -2.947 5.365 5.952 164 2HE2 GLN 16 HE22 GLN 16 -1.584 6.279 6.492 165 H ASN 17 HN ASN 17 -6.681 7.018 1.871 166 HA ASN 17 HA ASN 17 -7.741 9.592 2.503 167 1HB ASN 17 HB2 ASN 17 -7.196 8.049 0.014 168 2HB ASN 17 HB1 ASN 17 -8.341 9.383 -0.090 169 1HD2 ASN 17 HD21 ASN 17 -5.077 8.545 0.944 170 2HD2 ASN 17 HD22 ASN 17 -4.389 10.101 0.643 171 H TRP 18 HN TRP 18 -9.105 6.469 1.734 172 HA TRP 18 HA TRP 18 -11.782 7.524 1.399 173 1HB TRP 18 HB2 TRP 18 -10.516 5.266 0.476 174 2HB TRP 18 HB1 TRP 18 -11.509 4.625 1.781 175 HD1 TRP 18 HD1 TRP 18 -13.863 3.949 1.060 176 HE1 TRP 18 HE1 TRP 18 -15.459 4.570 -0.862 177 HE3 TRP 18 HE3 TRP 18 -11.041 7.560 -1.208 178 HZ2 TRP 18 HZ2 TRP 18 -15.515 6.353 -3.049 179 HZ3 TRP 18 HZ3 TRP 18 -11.938 8.674 -3.209 180 HH2 TRP 18 HH2 TRP 18 -14.129 8.082 -4.110 181 H LYS 19 HN LYS 19 -9.861 5.971 3.876 182 HA LYS 19 HA LYS 19 -12.021 5.353 5.625 183 1HB LYS 19 HB2 LYS 19 -9.439 4.600 5.547 184 2HB LYS 19 HB1 LYS 19 -9.331 5.859 6.769 185 1HG LYS 19 HG2 LYS 19 -10.679 4.718 8.257 186 2HG LYS 19 HG1 LYS 19 -11.424 3.742 6.989 187 1HD LYS 19 HD2 LYS 19 -10.008 2.122 7.588 188 2HD LYS 19 HD1 LYS 19 -8.743 3.086 6.824 189 1HE LYS 19 HE2 LYS 19 -7.758 3.039 8.834 190 2HE LYS 19 HE1 LYS 19 -8.948 4.262 9.280 191 1HZ LYS 19 HZ1 LYS 19 -9.799 1.491 9.517 192 2HZ LYS 19 HZ2 LYS 19 -10.103 2.808 10.534 193 3HZ LYS 19 HZ3 LYS 19 -8.620 2.000 10.618 194 1HN NH2 20 NH1 NH2 20 -13.068 7.497 5.324 195 2HN NH2 20 NH2 NH2 20 -12.644 8.767 6.415 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 9.682 -8.944 -8.389 2 2H ALA 1 HT2 ALA 1 8.796 -9.576 -7.062 3 3H ALA 1 HT3 ALA 1 10.219 -10.368 -7.601 4 HA ALA 1 HA ALA 1 11.588 -8.718 -6.834 5 1HB ALA 1 HB1 ALA 1 10.746 -6.581 -5.971 6 2HB ALA 1 HB2 ALA 1 9.106 -7.058 -6.410 7 3HB ALA 1 HB3 ALA 1 10.321 -6.820 -7.665 8 H LYS 2 HN LYS 2 12.230 -8.480 -4.659 9 HA LYS 2 HA LYS 2 10.619 -10.077 -2.803 10 1HB LYS 2 HB2 LYS 2 13.104 -10.556 -3.350 11 2HB LYS 2 HB1 LYS 2 13.445 -9.183 -2.305 12 1HG LYS 2 HG2 LYS 2 11.659 -10.796 -0.877 13 2HG LYS 2 HG1 LYS 2 12.825 -11.897 -1.610 14 1HD LYS 2 HD2 LYS 2 13.849 -9.433 -0.294 15 2HD LYS 2 HD1 LYS 2 13.276 -10.750 0.732 16 1HE LYS 2 HE2 LYS 2 14.821 -12.287 -0.309 17 2HE LYS 2 HE1 LYS 2 15.331 -11.047 -1.455 18 1HZ LYS 2 HZ1 LYS 2 16.962 -10.766 0.048 19 2HZ LYS 2 HZ2 LYS 2 16.068 -11.412 1.331 20 3HZ LYS 2 HZ3 LYS 2 15.814 -9.811 0.845 21 H LYS 3 HN LYS 3 9.974 -7.307 -3.413 22 HA LYS 3 HA LYS 3 9.769 -6.342 -0.696 23 1HB LYS 3 HB2 LYS 3 11.979 -5.459 -1.430 24 2HB LYS 3 HB1 LYS 3 11.184 -4.643 -2.769 25 1HG LYS 3 HG2 LYS 3 9.851 -3.918 -0.366 26 2HG LYS 3 HG1 LYS 3 11.588 -3.718 -0.128 27 1HD LYS 3 HD2 LYS 3 9.986 -2.572 -2.416 28 2HD LYS 3 HD1 LYS 3 10.533 -1.675 -0.998 29 1HE LYS 3 HE2 LYS 3 12.341 -1.180 -2.216 30 2HE LYS 3 HE1 LYS 3 12.848 -2.839 -1.900 31 1HZ LYS 3 HZ1 LYS 3 12.884 -3.030 -4.107 32 2HZ LYS 3 HZ2 LYS 3 11.969 -1.629 -4.354 33 3HZ LYS 3 HZ3 LYS 3 11.195 -3.097 -4.029 34 H VAL 4 HN VAL 4 7.925 -7.256 -2.579 35 HA VAL 4 HA VAL 4 6.553 -5.094 -3.833 36 HB VAL 4 HB VAL 4 5.396 -7.720 -2.860 37 1HG1 VAL 4 HG11 VAL 4 4.281 -5.425 -4.283 38 2HG1 VAL 4 HG12 VAL 4 3.468 -6.730 -3.420 39 3HG1 VAL 4 HG13 VAL 4 3.991 -6.967 -5.087 40 1HG2 VAL 4 HG21 VAL 4 5.987 -7.347 -5.722 41 2HG2 VAL 4 HG22 VAL 4 6.158 -8.776 -4.702 42 3HG2 VAL 4 HG23 VAL 4 7.390 -7.514 -4.667 43 H PHE 5 HN PHE 5 7.089 -6.073 -0.701 44 HA PHE 5 HA PHE 5 4.912 -5.572 0.815 45 1HB PHE 5 HB2 PHE 5 7.196 -6.344 1.536 46 2HB PHE 5 HB1 PHE 5 7.720 -4.670 1.449 47 HD1 PHE 5 HD1 PHE 5 6.401 -2.970 2.889 48 HD2 PHE 5 HD2 PHE 5 6.311 -7.179 3.509 49 HE1 PHE 5 HE1 PHE 5 5.642 -2.609 5.201 50 HE2 PHE 5 HE2 PHE 5 5.551 -6.826 5.822 51 HZ PHE 5 HZ PHE 5 5.216 -4.538 6.671 52 H LYS 6 HN LYS 6 6.810 -3.316 -0.904 53 HA LYS 6 HA LYS 6 5.979 -0.967 0.462 54 1HB LYS 6 HB2 LYS 6 7.810 -1.573 -1.563 55 2HB LYS 6 HB1 LYS 6 6.634 -0.517 -2.332 56 1HG LYS 6 HG2 LYS 6 8.228 0.081 0.151 57 2HG LYS 6 HG1 LYS 6 8.461 0.782 -1.451 58 1HD LYS 6 HD2 LYS 6 6.525 2.053 -1.317 59 2HD LYS 6 HD1 LYS 6 5.814 1.019 -0.077 60 1HE LYS 6 HE2 LYS 6 7.882 1.848 1.324 61 2HE LYS 6 HE1 LYS 6 7.837 3.191 0.183 62 1HZ LYS 6 HZ1 LYS 6 6.467 3.239 2.403 63 2HZ LYS 6 HZ2 LYS 6 5.332 2.397 1.474 64 3HZ LYS 6 HZ3 LYS 6 5.856 3.929 0.984 65 H ARG 7 HN ARG 7 4.774 -2.774 -2.301 66 HA ARG 7 HA ARG 7 2.839 -0.897 -3.140 67 1HB ARG 7 HB2 ARG 7 3.254 -3.831 -3.546 68 2HB ARG 7 HB1 ARG 7 1.710 -3.121 -3.998 69 1HG ARG 7 HG2 ARG 7 2.710 -2.781 -5.970 70 2HG ARG 7 HG1 ARG 7 3.428 -1.384 -5.164 71 1HD ARG 7 HD2 ARG 7 5.282 -3.023 -4.451 72 2HD ARG 7 HD1 ARG 7 4.636 -4.074 -5.711 73 HE ARG 7 HE ARG 7 5.545 -2.688 -7.293 74 1HH1 ARG 7 HH11 ARG 7 5.576 -1.063 -4.205 75 2HH1 ARG 7 HH12 ARG 7 6.543 0.258 -4.769 76 1HH2 ARG 7 HH21 ARG 7 6.816 -0.949 -8.037 77 2HH2 ARG 7 HH22 ARG 7 7.246 0.324 -6.944 78 H LEU 8 HN LEU 8 2.869 -3.417 -0.699 79 HA LEU 8 HA LEU 8 0.094 -3.459 -0.173 80 1HB LEU 8 HB2 LEU 8 1.949 -5.093 0.594 81 2HB LEU 8 HB1 LEU 8 2.196 -3.965 1.913 82 HG LEU 8 HG LEU 8 -0.488 -4.343 2.080 83 1HD1 LEU 8 HD11 LEU 8 -0.501 -6.009 0.305 84 2HD1 LEU 8 HD12 LEU 8 -0.923 -6.736 1.855 85 3HD1 LEU 8 HD13 LEU 8 0.691 -6.968 1.182 86 1HD2 LEU 8 HD21 LEU 8 0.548 -4.556 4.080 87 2HD2 LEU 8 HD22 LEU 8 1.888 -5.489 3.413 88 3HD2 LEU 8 HD23 LEU 8 0.343 -6.274 3.738 89 H GLU 9 HN GLU 9 2.767 -1.552 1.146 90 HA GLU 9 HA GLU 9 1.192 -0.209 3.097 91 1HB GLU 9 HB2 GLU 9 3.895 0.215 1.887 92 2HB GLU 9 HB1 GLU 9 3.165 1.525 2.804 93 1HG GLU 9 HG2 GLU 9 3.058 -1.063 4.151 94 2HG GLU 9 HG1 GLU 9 4.692 -0.478 3.843 95 H LYS 10 HN LYS 10 1.815 0.255 -0.292 96 HA LYS 10 HA LYS 10 0.883 2.939 -0.455 97 1HB LYS 10 HB2 LYS 10 1.198 0.763 -2.526 98 2HB LYS 10 HB1 LYS 10 0.652 2.387 -2.919 99 1HG LYS 10 HG2 LYS 10 3.194 2.075 -1.410 100 2HG LYS 10 HG1 LYS 10 3.177 1.698 -3.134 101 1HD LYS 10 HD2 LYS 10 1.938 4.249 -2.230 102 2HD LYS 10 HD1 LYS 10 3.699 4.136 -2.256 103 1HE LYS 10 HE2 LYS 10 2.340 3.128 -4.661 104 2HE LYS 10 HE1 LYS 10 2.175 4.860 -4.378 105 1HZ LYS 10 HZ1 LYS 10 4.804 3.506 -4.302 106 2HZ LYS 10 HZ2 LYS 10 4.480 5.158 -4.465 107 3HZ LYS 10 HZ3 LYS 10 4.147 4.102 -5.743 108 H LEU 11 HN LEU 11 -0.608 -0.231 -0.629 109 HA LEU 11 HA LEU 11 -3.127 0.625 -1.605 110 1HB LEU 11 HB2 LEU 11 -2.062 -1.820 -0.286 111 2HB LEU 11 HB1 LEU 11 -3.799 -1.586 -0.265 112 HG LEU 11 HG LEU 11 -2.460 -1.283 -2.892 113 1HD1 LEU 11 HD11 LEU 11 -1.311 -3.204 -2.578 114 2HD1 LEU 11 HD12 LEU 11 -2.873 -3.925 -2.965 115 3HD1 LEU 11 HD13 LEU 11 -2.372 -3.758 -1.282 116 1HD2 LEU 11 HD21 LEU 11 -4.508 -1.776 -3.702 117 2HD2 LEU 11 HD22 LEU 11 -5.027 -1.291 -2.088 118 3HD2 LEU 11 HD23 LEU 11 -4.820 -3.000 -2.472 119 H PHE 12 HN PHE 12 -1.759 0.279 1.629 120 HA PHE 12 HA PHE 12 -4.168 0.786 3.036 121 1HB PHE 12 HB2 PHE 12 -1.684 -0.023 3.781 122 2HB PHE 12 HB1 PHE 12 -1.634 1.662 4.289 123 HD1 PHE 12 HD1 PHE 12 -2.970 -1.628 4.951 124 HD2 PHE 12 HD2 PHE 12 -3.280 2.500 5.937 125 HE1 PHE 12 HE1 PHE 12 -4.215 -2.213 6.991 126 HE2 PHE 12 HE2 PHE 12 -4.525 1.923 7.980 127 HZ PHE 12 HZ PHE 12 -4.993 -0.437 8.509 128 H SER 13 HN SER 13 -1.733 2.810 1.570 129 HA SER 13 HA SER 13 -2.458 5.248 2.811 130 1HB SER 13 HB2 SER 13 -0.842 4.435 0.455 131 2HB SER 13 HB1 SER 13 -1.461 6.087 0.447 132 HG SER 13 HG SER 13 0.678 5.536 1.531 133 H LYS 14 HN LYS 14 -3.689 3.454 0.073 134 HA LYS 14 HA LYS 14 -5.236 5.509 -1.091 135 1HB LYS 14 HB2 LYS 14 -4.632 3.242 -2.095 136 2HB LYS 14 HB1 LYS 14 -5.936 2.575 -1.122 137 1HG LYS 14 HG2 LYS 14 -6.888 2.932 -3.219 138 2HG LYS 14 HG1 LYS 14 -7.434 4.302 -2.250 139 1HD LYS 14 HD2 LYS 14 -5.490 5.598 -3.196 140 2HD LYS 14 HD1 LYS 14 -5.237 4.254 -4.311 141 1HE LYS 14 HE2 LYS 14 -6.536 5.844 -5.481 142 2HE LYS 14 HE1 LYS 14 -7.642 4.551 -5.019 143 1HZ LYS 14 HZ1 LYS 14 -7.406 7.266 -3.885 144 2HZ LYS 14 HZ2 LYS 14 -8.127 6.018 -3.001 145 3HZ LYS 14 HZ3 LYS 14 -8.780 6.485 -4.489 146 H ILE 15 HN ILE 15 -5.885 3.182 1.482 147 HA ILE 15 HA ILE 15 -8.648 3.735 1.739 148 HB ILE 15 HB ILE 15 -6.782 2.812 3.929 149 1HG1 ILE 15 HG12 ILE 15 -8.311 1.181 1.887 150 2HG1 ILE 15 HG11 ILE 15 -6.562 1.376 1.951 151 1HG2 ILE 15 HG21 ILE 15 -9.355 3.575 4.180 152 2HG2 ILE 15 HG22 ILE 15 -8.595 2.338 5.181 153 3HG2 ILE 15 HG23 ILE 15 -9.569 1.869 3.788 154 1HD1 ILE 15 HD11 ILE 15 -6.852 -0.672 2.940 155 2HD1 ILE 15 HD12 ILE 15 -8.358 -0.199 3.728 156 3HD1 ILE 15 HD13 ILE 15 -6.815 0.395 4.344 157 H GLN 16 HN GLN 16 -5.759 5.247 3.005 158 HA GLN 16 HA GLN 16 -7.042 6.873 4.946 159 1HB GLN 16 HB2 GLN 16 -4.438 6.309 4.316 160 2HB GLN 16 HB1 GLN 16 -4.596 7.955 3.716 161 1HG GLN 16 HG2 GLN 16 -5.632 8.430 6.045 162 2HG GLN 16 HG1 GLN 16 -4.836 6.927 6.507 163 1HE2 GLN 16 HE21 GLN 16 -4.443 10.244 5.740 164 2HE2 GLN 16 HE22 GLN 16 -2.741 10.340 6.020 165 H ASN 17 HN ASN 17 -6.493 7.140 1.513 166 HA ASN 17 HA ASN 17 -7.044 9.926 1.297 167 1HB ASN 17 HB2 ASN 17 -5.806 8.607 -0.421 168 2HB ASN 17 HB1 ASN 17 -7.312 7.790 -0.830 169 1HD2 ASN 17 HD21 ASN 17 -8.870 8.864 -1.987 170 2HD2 ASN 17 HD22 ASN 17 -8.590 10.388 -2.751 171 H TRP 18 HN TRP 18 -8.996 7.023 1.331 172 HA TRP 18 HA TRP 18 -11.382 8.325 0.394 173 1HB TRP 18 HB2 TRP 18 -10.761 5.806 0.263 174 2HB TRP 18 HB1 TRP 18 -11.356 5.735 1.919 175 HD1 TRP 18 HD1 TRP 18 -12.532 5.954 -1.669 176 HE1 TRP 18 HE1 TRP 18 -15.099 5.784 -1.734 177 HE3 TRP 18 HE3 TRP 18 -13.501 6.354 3.336 178 HZ2 TRP 18 HZ2 TRP 18 -17.250 5.816 0.093 179 HZ3 TRP 18 HZ3 TRP 18 -15.840 6.276 4.094 180 HH2 TRP 18 HH2 TRP 18 -17.675 6.013 2.505 181 H LYS 19 HN LYS 19 -9.889 7.685 3.480 182 HA LYS 19 HA LYS 19 -12.220 8.264 5.044 183 1HB LYS 19 HB2 LYS 19 -10.394 6.821 5.874 184 2HB LYS 19 HB1 LYS 19 -9.310 8.205 5.864 185 1HG LYS 19 HG2 LYS 19 -10.795 9.319 7.506 186 2HG LYS 19 HG1 LYS 19 -11.758 7.841 7.577 187 1HD LYS 19 HD2 LYS 19 -9.752 6.604 8.306 188 2HD LYS 19 HD1 LYS 19 -8.839 8.114 8.295 189 1HE LYS 19 HE2 LYS 19 -9.994 8.973 10.117 190 2HE LYS 19 HE1 LYS 19 -11.363 7.885 9.886 191 1HZ LYS 19 HZ1 LYS 19 -8.757 7.348 11.137 192 2HZ LYS 19 HZ2 LYS 19 -9.609 6.073 10.422 193 3HZ LYS 19 HZ3 LYS 19 -10.311 6.956 11.683 194 1HN NH2 20 NH1 NH2 20 -9.254 10.024 4.248 195 2HN NH2 20 NH2 NH2 20 -9.854 11.591 4.660 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 13.267 -7.287 -4.077 2 2H ALA 1 HT2 ALA 1 14.717 -7.773 -4.856 3 3H ALA 1 HT3 ALA 1 14.017 -8.766 -3.643 4 HA ALA 1 HA ALA 1 12.983 -8.168 -6.326 5 1HB ALA 1 HB1 ALA 1 12.984 -10.821 -6.150 6 2HB ALA 1 HB2 ALA 1 14.284 -10.481 -5.007 7 3HB ALA 1 HB3 ALA 1 14.400 -9.909 -6.672 8 H LYS 2 HN LYS 2 12.327 -9.750 -3.214 9 HA LYS 2 HA LYS 2 9.505 -10.002 -3.956 10 1HB LYS 2 HB2 LYS 2 11.196 -11.738 -2.661 11 2HB LYS 2 HB1 LYS 2 10.317 -11.011 -1.323 12 1HG LYS 2 HG2 LYS 2 9.104 -12.929 -1.906 13 2HG LYS 2 HG1 LYS 2 8.198 -11.578 -2.590 14 1HD LYS 2 HD2 LYS 2 8.322 -12.529 -4.595 15 2HD LYS 2 HD1 LYS 2 10.080 -12.399 -4.537 16 1HE LYS 2 HE2 LYS 2 10.356 -14.577 -4.005 17 2HE LYS 2 HE1 LYS 2 8.911 -14.622 -2.996 18 1HZ LYS 2 HZ1 LYS 2 9.118 -14.929 -5.926 19 2HZ LYS 2 HZ2 LYS 2 7.654 -14.502 -5.195 20 3HZ LYS 2 HZ3 LYS 2 8.398 -15.969 -4.801 21 H LYS 3 HN LYS 3 10.558 -7.406 -3.426 22 HA LYS 3 HA LYS 3 9.433 -6.733 -0.792 23 1HB LYS 3 HB2 LYS 3 10.483 -4.505 -1.182 24 2HB LYS 3 HB1 LYS 3 11.640 -5.829 -1.162 25 1HG LYS 3 HG2 LYS 3 12.085 -5.658 -3.408 26 2HG LYS 3 HG1 LYS 3 10.525 -4.915 -3.769 27 1HD LYS 3 HD2 LYS 3 11.228 -2.819 -3.150 28 2HD LYS 3 HD1 LYS 3 12.441 -3.441 -2.029 29 1HE LYS 3 HE2 LYS 3 13.870 -2.815 -3.660 30 2HE LYS 3 HE1 LYS 3 13.429 -4.378 -4.347 31 1HZ LYS 3 HZ1 LYS 3 11.699 -2.146 -5.035 32 2HZ LYS 3 HZ2 LYS 3 12.256 -3.421 -5.996 33 3HZ LYS 3 HZ3 LYS 3 13.260 -2.096 -5.686 34 H VAL 4 HN VAL 4 7.655 -7.508 -2.783 35 HA VAL 4 HA VAL 4 6.440 -5.270 -4.061 36 HB VAL 4 HB VAL 4 5.917 -7.565 -4.775 37 1HG1 VAL 4 HG11 VAL 4 4.572 -7.834 -2.089 38 2HG1 VAL 4 HG12 VAL 4 6.036 -8.668 -2.609 39 3HG1 VAL 4 HG13 VAL 4 4.497 -9.012 -3.399 40 1HG2 VAL 4 HG21 VAL 4 4.230 -5.545 -4.806 41 2HG2 VAL 4 HG22 VAL 4 3.321 -6.577 -3.703 42 3HG2 VAL 4 HG23 VAL 4 3.729 -7.156 -5.318 43 H PHE 5 HN PHE 5 6.785 -6.294 -0.918 44 HA PHE 5 HA PHE 5 4.574 -5.709 0.508 45 1HB PHE 5 HB2 PHE 5 6.781 -6.560 1.339 46 2HB PHE 5 HB1 PHE 5 7.394 -4.917 1.236 47 HD1 PHE 5 HD1 PHE 5 5.099 -7.159 3.022 48 HD2 PHE 5 HD2 PHE 5 6.808 -3.265 2.872 49 HE1 PHE 5 HE1 PHE 5 4.281 -6.717 5.299 50 HE2 PHE 5 HE2 PHE 5 5.994 -2.815 5.150 51 HZ PHE 5 HZ PHE 5 4.729 -4.543 6.367 52 H LYS 6 HN LYS 6 6.613 -3.522 -1.139 53 HA LYS 6 HA LYS 6 5.838 -1.134 0.175 54 1HB LYS 6 HB2 LYS 6 7.764 -1.737 -1.636 55 2HB LYS 6 HB1 LYS 6 6.585 -0.960 -2.683 56 1HG LYS 6 HG2 LYS 6 6.647 1.044 -1.359 57 2HG LYS 6 HG1 LYS 6 7.693 0.268 -0.168 58 1HD LYS 6 HD2 LYS 6 9.361 1.221 -1.335 59 2HD LYS 6 HD1 LYS 6 9.111 -0.118 -2.458 60 1HE LYS 6 HE2 LYS 6 7.673 1.239 -3.831 61 2HE LYS 6 HE1 LYS 6 7.733 2.556 -2.661 62 1HZ LYS 6 HZ1 LYS 6 9.854 1.607 -4.480 63 2HZ LYS 6 HZ2 LYS 6 10.242 2.485 -3.087 64 3HZ LYS 6 HZ3 LYS 6 9.256 3.176 -4.274 65 H ARG 7 HN ARG 7 4.623 -2.894 -2.627 66 HA ARG 7 HA ARG 7 2.762 -0.971 -3.496 67 1HB ARG 7 HB2 ARG 7 3.196 -3.868 -3.923 68 2HB ARG 7 HB1 ARG 7 1.559 -3.291 -4.206 69 1HG ARG 7 HG2 ARG 7 2.416 -3.008 -6.286 70 2HG ARG 7 HG1 ARG 7 2.836 -1.440 -5.595 71 1HD ARG 7 HD2 ARG 7 4.883 -1.964 -6.398 72 2HD ARG 7 HD1 ARG 7 5.005 -2.839 -4.872 73 HE ARG 7 HE ARG 7 3.906 -4.628 -6.631 74 1HH1 ARG 7 HH11 ARG 7 6.834 -2.732 -6.520 75 2HH1 ARG 7 HH12 ARG 7 7.760 -3.881 -7.426 76 1HH2 ARG 7 HH21 ARG 7 5.123 -6.141 -7.821 77 2HH2 ARG 7 HH22 ARG 7 6.789 -5.816 -8.165 78 H LEU 8 HN LEU 8 2.642 -3.457 -1.017 79 HA LEU 8 HA LEU 8 -0.132 -3.365 -0.519 80 1HB LEU 8 HB2 LEU 8 2.025 -4.799 0.459 81 2HB LEU 8 HB1 LEU 8 1.513 -3.853 1.844 82 HG LEU 8 HG LEU 8 -0.600 -5.307 0.346 83 1HD1 LEU 8 HD11 LEU 8 0.777 -6.893 2.411 84 2HD1 LEU 8 HD12 LEU 8 1.620 -6.735 0.870 85 3HD1 LEU 8 HD13 LEU 8 -0.011 -7.405 0.919 86 1HD2 LEU 8 HD21 LEU 8 -0.029 -4.699 3.240 87 2HD2 LEU 8 HD22 LEU 8 -1.397 -5.665 2.686 88 3HD2 LEU 8 HD23 LEU 8 -1.262 -3.971 2.211 89 H GLU 9 HN GLU 9 2.596 -1.541 0.806 90 HA GLU 9 HA GLU 9 1.089 -0.099 2.721 91 1HB GLU 9 HB2 GLU 9 3.743 -0.346 2.187 92 2HB GLU 9 HB1 GLU 9 3.429 1.253 1.526 93 1HG GLU 9 HG2 GLU 9 2.744 2.097 3.606 94 2HG GLU 9 HG1 GLU 9 2.588 0.483 4.299 95 H LYS 10 HN LYS 10 1.640 0.273 -0.691 96 HA LYS 10 HA LYS 10 0.784 2.975 -0.905 97 1HB LYS 10 HB2 LYS 10 2.128 1.720 -2.627 98 2HB LYS 10 HB1 LYS 10 0.664 0.838 -3.039 99 1HG LYS 10 HG2 LYS 10 -0.376 3.145 -3.450 100 2HG LYS 10 HG1 LYS 10 1.286 3.737 -3.451 101 1HD LYS 10 HD2 LYS 10 0.715 1.361 -5.120 102 2HD LYS 10 HD1 LYS 10 0.032 2.895 -5.663 103 1HE LYS 10 HE2 LYS 10 2.050 3.055 -6.686 104 2HE LYS 10 HE1 LYS 10 2.506 3.721 -5.119 105 1HZ LYS 10 HZ1 LYS 10 3.819 1.744 -6.289 106 2HZ LYS 10 HZ2 LYS 10 2.705 0.832 -5.402 107 3HZ LYS 10 HZ3 LYS 10 3.733 1.916 -4.608 108 H LEU 11 HN LEU 11 -0.827 -0.160 -1.106 109 HA LEU 11 HA LEU 11 -3.348 0.827 -1.934 110 1HB LEU 11 HB2 LEU 11 -2.332 -1.634 -1.731 111 2HB LEU 11 HB1 LEU 11 -3.190 -1.588 -0.202 112 HG LEU 11 HG LEU 11 -4.748 -0.745 -2.568 113 1HD1 LEU 11 HD11 LEU 11 -5.204 -3.299 -2.902 114 2HD1 LEU 11 HD12 LEU 11 -3.562 -3.464 -2.280 115 3HD1 LEU 11 HD13 LEU 11 -3.863 -2.512 -3.734 116 1HD2 LEU 11 HD21 LEU 11 -5.714 -0.875 -0.325 117 2HD2 LEU 11 HD22 LEU 11 -5.312 -2.590 -0.250 118 3HD2 LEU 11 HD23 LEU 11 -6.489 -2.012 -1.429 119 H PHE 12 HN PHE 12 -1.838 0.373 1.212 120 HA PHE 12 HA PHE 12 -4.160 0.880 2.759 121 1HB PHE 12 HB2 PHE 12 -1.487 0.199 3.275 122 2HB PHE 12 HB1 PHE 12 -1.718 1.759 4.057 123 HD1 PHE 12 HD1 PHE 12 -2.755 -1.753 3.983 124 HD2 PHE 12 HD2 PHE 12 -3.194 2.002 5.938 125 HE1 PHE 12 HE1 PHE 12 -3.865 -2.871 5.872 126 HE2 PHE 12 HE2 PHE 12 -4.304 0.889 7.832 127 HZ PHE 12 HZ PHE 12 -4.640 -1.550 7.800 128 H SER 13 HN SER 13 -1.827 2.898 1.146 129 HA SER 13 HA SER 13 -2.393 5.324 2.482 130 1HB SER 13 HB2 SER 13 -0.386 5.031 1.092 131 2HB SER 13 HB1 SER 13 -1.396 4.872 -0.345 132 HG SER 13 HG SER 13 -1.232 6.958 -0.457 133 H LYS 14 HN LYS 14 -3.892 3.622 -0.193 134 HA LYS 14 HA LYS 14 -5.514 5.723 -1.140 135 1HB LYS 14 HB2 LYS 14 -5.364 2.811 -1.473 136 2HB LYS 14 HB1 LYS 14 -6.994 3.454 -1.621 137 1HG LYS 14 HG2 LYS 14 -5.945 5.155 -3.243 138 2HG LYS 14 HG1 LYS 14 -4.585 4.032 -3.296 139 1HD LYS 14 HD2 LYS 14 -5.767 3.112 -4.988 140 2HD LYS 14 HD1 LYS 14 -6.628 2.316 -3.669 141 1HE LYS 14 HE2 LYS 14 -8.463 3.182 -4.624 142 2HE LYS 14 HE1 LYS 14 -7.964 4.680 -3.841 143 1HZ LYS 14 HZ1 LYS 14 -7.188 3.896 -6.597 144 2HZ LYS 14 HZ2 LYS 14 -6.887 5.380 -5.844 145 3HZ LYS 14 HZ3 LYS 14 -8.473 4.933 -6.227 146 H ILE 15 HN ILE 15 -5.965 3.334 1.418 147 HA ILE 15 HA ILE 15 -8.673 3.913 1.964 148 HB ILE 15 HB ILE 15 -6.607 2.960 3.953 149 1HG1 ILE 15 HG12 ILE 15 -8.332 1.359 2.049 150 2HG1 ILE 15 HG11 ILE 15 -6.584 1.542 1.952 151 1HG2 ILE 15 HG21 ILE 15 -8.384 2.164 5.250 152 2HG2 ILE 15 HG22 ILE 15 -9.538 2.321 3.926 153 3HG2 ILE 15 HG23 ILE 15 -8.909 3.763 4.723 154 1HD1 ILE 15 HD11 ILE 15 -7.263 -0.612 2.901 155 2HD1 ILE 15 HD12 ILE 15 -8.061 0.238 4.225 156 3HD1 ILE 15 HD13 ILE 15 -6.311 0.349 4.032 157 H GLN 16 HN GLN 16 -5.671 5.426 2.900 158 HA GLN 16 HA GLN 16 -6.686 7.015 5.012 159 1HB GLN 16 HB2 GLN 16 -4.323 7.516 3.189 160 2HB GLN 16 HB1 GLN 16 -4.642 8.361 4.697 161 1HG GLN 16 HG2 GLN 16 -4.604 5.993 5.744 162 2HG GLN 16 HG1 GLN 16 -3.763 5.543 4.261 163 1HE2 GLN 16 HE21 GLN 16 -3.689 7.995 6.821 164 2HE2 GLN 16 HE22 GLN 16 -1.966 8.097 6.912 165 H ASN 17 HN ASN 17 -6.627 7.349 1.536 166 HA ASN 17 HA ASN 17 -7.260 10.113 1.427 167 1HB ASN 17 HB2 ASN 17 -7.182 7.848 -0.481 168 2HB ASN 17 HB1 ASN 17 -8.247 9.183 -0.913 169 1HD2 ASN 17 HD21 ASN 17 -6.498 9.026 -2.684 170 2HD2 ASN 17 HD22 ASN 17 -5.153 10.092 -2.484 171 H TRP 18 HN TRP 18 -9.154 7.193 1.762 172 HA TRP 18 HA TRP 18 -11.669 8.546 1.308 173 1HB TRP 18 HB2 TRP 18 -10.956 5.744 2.174 174 2HB TRP 18 HB1 TRP 18 -12.620 6.312 2.076 175 HD1 TRP 18 HD1 TRP 18 -10.518 4.256 0.145 176 HE1 TRP 18 HE1 TRP 18 -11.002 4.385 -2.379 177 HE3 TRP 18 HE3 TRP 18 -13.220 8.597 0.057 178 HZ2 TRP 18 HZ2 TRP 18 -12.352 6.099 -4.171 179 HZ3 TRP 18 HZ3 TRP 18 -14.071 9.412 -2.103 180 HH2 TRP 18 HH2 TRP 18 -13.645 8.188 -4.172 181 H LYS 19 HN LYS 19 -9.677 7.604 4.013 182 HA LYS 19 HA LYS 19 -11.588 7.798 6.063 183 1HB LYS 19 HB2 LYS 19 -8.829 7.300 5.874 184 2HB LYS 19 HB1 LYS 19 -8.980 8.696 6.931 185 1HG LYS 19 HG2 LYS 19 -10.442 7.483 8.408 186 2HG LYS 19 HG1 LYS 19 -10.463 6.103 7.308 187 1HD LYS 19 HD2 LYS 19 -7.764 6.576 7.766 188 2HD LYS 19 HD1 LYS 19 -8.524 6.829 9.339 189 1HE LYS 19 HE2 LYS 19 -7.975 4.540 9.264 190 2HE LYS 19 HE1 LYS 19 -9.710 4.620 8.962 191 1HZ LYS 19 HZ1 LYS 19 -8.702 3.100 7.430 192 2HZ LYS 19 HZ2 LYS 19 -7.576 4.259 6.929 193 3HZ LYS 19 HZ3 LYS 19 -9.216 4.463 6.569 194 1HN NH2 20 NH1 NH2 20 -9.670 10.208 4.414 195 2HN NH2 20 NH2 NH2 20 -10.355 11.585 5.200 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 9.983 -7.629 -7.630 2 2H ALA 1 HT2 ALA 1 10.512 -7.556 -5.999 3 3H ALA 1 HT3 ALA 1 8.842 -7.418 -6.369 4 HA ALA 1 HA ALA 1 8.648 -9.603 -6.953 5 1HB ALA 1 HB1 ALA 1 11.498 -10.303 -6.654 6 2HB ALA 1 HB2 ALA 1 11.073 -9.356 -8.080 7 3HB ALA 1 HB3 ALA 1 10.290 -10.909 -7.787 8 H LYS 2 HN LYS 2 11.549 -9.197 -4.914 9 HA LYS 2 HA LYS 2 10.185 -10.685 -2.791 10 1HB LYS 2 HB2 LYS 2 12.443 -10.852 -1.772 11 2HB LYS 2 HB1 LYS 2 12.359 -11.550 -3.384 12 1HG LYS 2 HG2 LYS 2 14.076 -10.298 -3.991 13 2HG LYS 2 HG1 LYS 2 13.105 -8.853 -3.707 14 1HD LYS 2 HD2 LYS 2 13.803 -8.848 -1.359 15 2HD LYS 2 HD1 LYS 2 14.775 -10.294 -1.646 16 1HE LYS 2 HE2 LYS 2 16.046 -8.127 -1.655 17 2HE LYS 2 HE1 LYS 2 16.244 -9.123 -3.097 18 1HZ LYS 2 HZ1 LYS 2 15.901 -6.746 -3.584 19 2HZ LYS 2 HZ2 LYS 2 14.364 -6.834 -2.886 20 3HZ LYS 2 HZ3 LYS 2 14.712 -7.731 -4.277 21 H LYS 3 HN LYS 3 9.524 -7.914 -3.390 22 HA LYS 3 HA LYS 3 9.560 -6.889 -0.728 23 1HB LYS 3 HB2 LYS 3 11.882 -6.310 -1.632 24 2HB LYS 3 HB1 LYS 3 11.068 -5.215 -2.740 25 1HG LYS 3 HG2 LYS 3 10.194 -4.823 -0.009 26 2HG LYS 3 HG1 LYS 3 11.941 -4.639 -0.179 27 1HD LYS 3 HD2 LYS 3 10.377 -3.340 -2.292 28 2HD LYS 3 HD1 LYS 3 10.100 -2.685 -0.677 29 1HE LYS 3 HE2 LYS 3 12.766 -2.994 -2.053 30 2HE LYS 3 HE1 LYS 3 11.896 -1.484 -1.789 31 1HZ LYS 3 HZ1 LYS 3 13.470 -3.066 0.068 32 2HZ LYS 3 HZ2 LYS 3 12.043 -2.411 0.698 33 3HZ LYS 3 HZ3 LYS 3 13.210 -1.394 0.016 34 H VAL 4 HN VAL 4 7.608 -7.557 -2.596 35 HA VAL 4 HA VAL 4 6.511 -5.236 -3.843 36 HB VAL 4 HB VAL 4 5.779 -7.485 -4.517 37 1HG1 VAL 4 HG11 VAL 4 4.111 -8.627 -2.927 38 2HG1 VAL 4 HG12 VAL 4 4.858 -7.641 -1.669 39 3HG1 VAL 4 HG13 VAL 4 5.834 -8.787 -2.587 40 1HG2 VAL 4 HG21 VAL 4 3.291 -6.381 -3.350 41 2HG2 VAL 4 HG22 VAL 4 3.653 -6.858 -5.009 42 3HG2 VAL 4 HG23 VAL 4 4.235 -5.313 -4.389 43 H PHE 5 HN PHE 5 6.956 -6.249 -0.716 44 HA PHE 5 HA PHE 5 4.873 -5.527 0.827 45 1HB PHE 5 HB2 PHE 5 7.063 -6.486 1.553 46 2HB PHE 5 HB1 PHE 5 7.773 -4.891 1.368 47 HD1 PHE 5 HD1 PHE 5 7.201 -3.084 2.915 48 HD2 PHE 5 HD2 PHE 5 5.653 -7.015 3.425 49 HE1 PHE 5 HE1 PHE 5 6.563 -2.528 5.225 50 HE2 PHE 5 HE2 PHE 5 5.010 -6.466 5.736 51 HZ PHE 5 HZ PHE 5 5.465 -4.220 6.638 52 H LYS 6 HN LYS 6 6.925 -3.460 -0.958 53 HA LYS 6 HA LYS 6 6.329 -1.027 0.376 54 1HB LYS 6 HB2 LYS 6 8.140 -1.730 -1.518 55 2HB LYS 6 HB1 LYS 6 6.951 -0.903 -2.515 56 1HG LYS 6 HG2 LYS 6 7.402 1.127 -1.619 57 2HG LYS 6 HG1 LYS 6 7.795 0.463 -0.032 58 1HD LYS 6 HD2 LYS 6 9.927 0.869 -0.587 59 2HD LYS 6 HD1 LYS 6 9.788 -0.563 -1.609 60 1HE LYS 6 HE2 LYS 6 10.695 1.210 -2.934 61 2HE LYS 6 HE1 LYS 6 9.039 0.919 -3.466 62 1HZ LYS 6 HZ1 LYS 6 8.649 2.802 -1.628 63 2HZ LYS 6 HZ2 LYS 6 8.902 3.140 -3.266 64 3HZ LYS 6 HZ3 LYS 6 10.188 3.249 -2.173 65 H ARG 7 HN ARG 7 4.921 -2.733 -2.369 66 HA ARG 7 HA ARG 7 3.102 -0.739 -3.158 67 1HB ARG 7 HB2 ARG 7 3.465 -3.619 -3.637 68 2HB ARG 7 HB1 ARG 7 1.798 -3.071 -3.754 69 1HG ARG 7 HG2 ARG 7 3.307 -1.188 -5.167 70 2HG ARG 7 HG1 ARG 7 3.960 -2.763 -5.619 71 1HD ARG 7 HD2 ARG 7 1.203 -3.118 -5.638 72 2HD ARG 7 HD1 ARG 7 1.446 -1.521 -6.344 73 HE ARG 7 HE ARG 7 3.252 -3.043 -7.652 74 1HH1 ARG 7 HH11 ARG 7 -0.169 -3.401 -7.058 75 2HH1 ARG 7 HH12 ARG 7 -0.460 -4.271 -8.527 76 1HH2 ARG 7 HH21 ARG 7 2.871 -4.187 -9.584 77 2HH2 ARG 7 HH22 ARG 7 1.266 -4.717 -9.961 78 H LEU 8 HN LEU 8 3.030 -3.171 -0.640 79 HA LEU 8 HA LEU 8 0.288 -3.044 -0.018 80 1HB LEU 8 HB2 LEU 8 2.733 -4.067 1.247 81 2HB LEU 8 HB1 LEU 8 1.495 -3.577 2.387 82 HG LEU 8 HG LEU 8 0.789 -5.398 0.117 83 1HD1 LEU 8 HD11 LEU 8 1.651 -7.260 1.073 84 2HD1 LEU 8 HD12 LEU 8 1.526 -6.613 2.709 85 3HD1 LEU 8 HD13 LEU 8 2.848 -6.106 1.659 86 1HD2 LEU 8 HD21 LEU 8 -1.114 -5.778 1.272 87 2HD2 LEU 8 HD22 LEU 8 -0.737 -4.206 1.977 88 3HD2 LEU 8 HD23 LEU 8 -0.312 -5.684 2.839 89 H GLU 9 HN GLU 9 3.057 -1.119 1.015 90 HA GLU 9 HA GLU 9 1.672 0.360 3.003 91 1HB GLU 9 HB2 GLU 9 4.216 0.822 1.461 92 2HB GLU 9 HB1 GLU 9 3.593 2.035 2.572 93 1HG GLU 9 HG2 GLU 9 3.995 0.743 4.427 94 2HG GLU 9 HG1 GLU 9 3.943 -0.767 3.519 95 H LYS 10 HN LYS 10 2.070 0.696 -0.454 96 HA LYS 10 HA LYS 10 1.062 3.353 -0.632 97 1HB LYS 10 HB2 LYS 10 2.368 1.788 -2.371 98 2HB LYS 10 HB1 LYS 10 0.725 1.477 -2.916 99 1HG LYS 10 HG2 LYS 10 0.376 3.700 -3.525 100 2HG LYS 10 HG1 LYS 10 1.738 4.272 -2.559 101 1HD LYS 10 HD2 LYS 10 3.139 4.021 -4.272 102 2HD LYS 10 HD1 LYS 10 2.624 2.351 -4.514 103 1HE LYS 10 HE2 LYS 10 1.045 2.922 -6.082 104 2HE LYS 10 HE1 LYS 10 0.847 4.554 -5.445 105 1HZ LYS 10 HZ1 LYS 10 2.034 5.022 -7.299 106 2HZ LYS 10 HZ2 LYS 10 2.817 3.523 -7.337 107 3HZ LYS 10 HZ3 LYS 10 3.338 4.722 -6.263 108 H LEU 11 HN LEU 11 -0.356 0.158 -0.598 109 HA LEU 11 HA LEU 11 -2.946 0.923 -1.472 110 1HB LEU 11 HB2 LEU 11 -1.634 -1.470 -0.518 111 2HB LEU 11 HB1 LEU 11 -3.221 -1.307 0.211 112 HG LEU 11 HG LEU 11 -2.703 -1.237 -2.762 113 1HD1 LEU 11 HD11 LEU 11 -2.376 -3.435 -1.276 114 2HD1 LEU 11 HD12 LEU 11 -3.058 -3.465 -2.903 115 3HD1 LEU 11 HD13 LEU 11 -4.125 -3.497 -1.499 116 1HD2 LEU 11 HD21 LEU 11 -5.022 -1.230 -3.049 117 2HD2 LEU 11 HD22 LEU 11 -4.743 -0.057 -1.762 118 3HD2 LEU 11 HD23 LEU 11 -5.323 -1.676 -1.370 119 H PHE 12 HN PHE 12 -1.324 0.846 1.633 120 HA PHE 12 HA PHE 12 -3.641 1.223 3.230 121 1HB PHE 12 HB2 PHE 12 -0.927 0.786 3.705 122 2HB PHE 12 HB1 PHE 12 -1.225 2.393 4.358 123 HD1 PHE 12 HD1 PHE 12 -1.633 -1.137 4.840 124 HD2 PHE 12 HD2 PHE 12 -3.050 2.685 6.064 125 HE1 PHE 12 HE1 PHE 12 -2.600 -2.148 6.864 126 HE2 PHE 12 HE2 PHE 12 -4.018 1.682 8.091 127 HZ PHE 12 HZ PHE 12 -3.793 -0.738 8.493 128 H SER 13 HN SER 13 -1.475 3.375 1.514 129 HA SER 13 HA SER 13 -2.371 5.784 2.721 130 1HB SER 13 HB2 SER 13 -1.092 6.907 1.095 131 2HB SER 13 HB1 SER 13 -0.242 5.377 1.306 132 HG SER 13 HG SER 13 -1.108 4.640 -0.591 133 H LYS 14 HN LYS 14 -3.509 3.799 0.085 134 HA LYS 14 HA LYS 14 -5.275 5.704 -1.060 135 1HB LYS 14 HB2 LYS 14 -4.864 2.766 -1.263 136 2HB LYS 14 HB1 LYS 14 -6.432 3.387 -1.760 137 1HG LYS 14 HG2 LYS 14 -5.399 4.829 -3.387 138 2HG LYS 14 HG1 LYS 14 -3.791 4.361 -2.829 139 1HD LYS 14 HD2 LYS 14 -3.909 2.879 -4.523 140 2HD LYS 14 HD1 LYS 14 -4.857 1.935 -3.373 141 1HE LYS 14 HE2 LYS 14 -6.879 3.219 -4.313 142 2HE LYS 14 HE1 LYS 14 -5.809 3.643 -5.648 143 1HZ LYS 14 HZ1 LYS 14 -5.912 0.828 -4.915 144 2HZ LYS 14 HZ2 LYS 14 -5.825 1.547 -6.444 145 3HZ LYS 14 HZ3 LYS 14 -7.307 1.463 -5.633 146 H ILE 15 HN ILE 15 -5.523 3.409 1.575 147 HA ILE 15 HA ILE 15 -8.342 3.545 1.882 148 HB ILE 15 HB ILE 15 -6.302 2.926 4.023 149 1HG1 ILE 15 HG12 ILE 15 -7.703 1.008 2.149 150 2HG1 ILE 15 HG11 ILE 15 -6.032 1.530 1.970 151 1HG2 ILE 15 HG21 ILE 15 -8.955 3.333 4.340 152 2HG2 ILE 15 HG22 ILE 15 -7.993 2.252 5.348 153 3HG2 ILE 15 HG23 ILE 15 -8.929 1.602 4.001 154 1HD1 ILE 15 HD11 ILE 15 -5.381 -0.088 3.321 155 2HD1 ILE 15 HD12 ILE 15 -7.055 -0.614 3.493 156 3HD1 ILE 15 HD13 ILE 15 -6.382 0.569 4.615 157 H GLN 16 HN GLN 16 -5.665 5.487 3.025 158 HA GLN 16 HA GLN 16 -7.135 6.943 4.981 159 1HB GLN 16 HB2 GLN 16 -4.494 6.715 4.386 160 2HB GLN 16 HB1 GLN 16 -4.847 8.286 3.680 161 1HG GLN 16 HG2 GLN 16 -5.027 9.275 5.672 162 2HG GLN 16 HG1 GLN 16 -5.930 7.931 6.368 163 1HE2 GLN 16 HE21 GLN 16 -4.913 7.382 8.164 164 2HE2 GLN 16 HE22 GLN 16 -3.218 7.079 8.314 165 H ASN 17 HN ASN 17 -6.612 7.266 1.542 166 HA ASN 17 HA ASN 17 -7.611 9.937 1.340 167 1HB ASN 17 HB2 ASN 17 -7.077 7.755 -0.669 168 2HB ASN 17 HB1 ASN 17 -7.810 9.286 -1.139 169 1HD2 ASN 17 HD21 ASN 17 -5.688 9.003 -2.445 170 2HD2 ASN 17 HD22 ASN 17 -4.315 9.816 -1.784 171 H TRP 18 HN TRP 18 -9.009 6.743 1.311 172 HA TRP 18 HA TRP 18 -11.570 7.651 0.323 173 1HB TRP 18 HB2 TRP 18 -10.480 5.016 1.266 174 2HB TRP 18 HB1 TRP 18 -12.215 5.239 1.065 175 HD1 TRP 18 HD1 TRP 18 -9.206 4.257 -0.824 176 HE1 TRP 18 HE1 TRP 18 -9.707 4.158 -3.347 177 HE3 TRP 18 HE3 TRP 18 -13.713 6.671 -0.852 178 HZ2 TRP 18 HZ2 TRP 18 -11.744 4.992 -5.114 179 HZ3 TRP 18 HZ3 TRP 18 -14.872 6.980 -3.000 180 HH2 TRP 18 HH2 TRP 18 -13.907 6.157 -5.087 181 H LYS 19 HN LYS 19 -10.035 7.052 3.395 182 HA LYS 19 HA LYS 19 -12.345 6.890 5.001 183 1HB LYS 19 HB2 LYS 19 -9.459 7.448 5.472 184 2HB LYS 19 HB1 LYS 19 -10.590 7.883 6.746 185 1HG LYS 19 HG2 LYS 19 -11.172 5.699 7.165 186 2HG LYS 19 HG1 LYS 19 -10.713 5.156 5.550 187 1HD LYS 19 HD2 LYS 19 -9.017 4.300 6.885 188 2HD LYS 19 HD1 LYS 19 -8.315 5.799 6.273 189 1HE LYS 19 HE2 LYS 19 -9.811 5.823 8.855 190 2HE LYS 19 HE1 LYS 19 -8.163 5.198 8.817 191 1HZ LYS 19 HZ1 LYS 19 -7.846 7.416 9.275 192 2HZ LYS 19 HZ2 LYS 19 -9.121 7.930 8.291 193 3HZ LYS 19 HZ3 LYS 19 -7.674 7.404 7.592 194 1HN NH2 20 NH1 NH2 20 -13.794 8.379 5.459 195 2HN NH2 20 NH2 NH2 20 -13.563 10.090 5.408 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 9.784 -12.907 -2.593 2 2H ALA 1 HT2 ALA 1 9.451 -12.009 -1.169 3 3H ALA 1 HT3 ALA 1 10.383 -13.447 -1.081 4 HA ALA 1 HA ALA 1 11.576 -11.264 -0.966 5 1HB ALA 1 HB1 ALA 1 13.437 -12.353 -1.632 6 2HB ALA 1 HB2 ALA 1 12.735 -12.834 -3.177 7 3HB ALA 1 HB3 ALA 1 12.339 -13.731 -1.712 8 H LYS 2 HN LYS 2 9.256 -10.698 -2.666 9 HA LYS 2 HA LYS 2 10.514 -9.507 -5.027 10 1HB LYS 2 HB2 LYS 2 8.053 -9.009 -5.620 11 2HB LYS 2 HB1 LYS 2 8.618 -10.670 -5.721 12 1HG LYS 2 HG2 LYS 2 7.608 -11.167 -3.568 13 2HG LYS 2 HG1 LYS 2 7.080 -9.490 -3.417 14 1HD LYS 2 HD2 LYS 2 5.174 -10.183 -4.366 15 2HD LYS 2 HD1 LYS 2 6.090 -10.214 -5.874 16 1HE LYS 2 HE2 LYS 2 6.761 -12.607 -5.089 17 2HE LYS 2 HE1 LYS 2 5.333 -12.469 -4.064 18 1HZ LYS 2 HZ1 LYS 2 5.269 -13.376 -6.560 19 2HZ LYS 2 HZ2 LYS 2 4.968 -11.737 -6.850 20 3HZ LYS 2 HZ3 LYS 2 3.954 -12.613 -5.818 21 H LYS 3 HN LYS 3 9.690 -8.663 -1.915 22 HA LYS 3 HA LYS 3 9.251 -6.701 -0.812 23 1HB LYS 3 HB2 LYS 3 10.799 -4.920 -1.344 24 2HB LYS 3 HB1 LYS 3 11.625 -6.464 -1.508 25 1HG LYS 3 HG2 LYS 3 11.515 -6.355 -3.886 26 2HG LYS 3 HG1 LYS 3 10.456 -4.945 -3.826 27 1HD LYS 3 HD2 LYS 3 12.348 -3.764 -2.609 28 2HD LYS 3 HD1 LYS 3 13.366 -5.123 -3.086 29 1HE LYS 3 HE2 LYS 3 11.801 -3.996 -5.282 30 2HE LYS 3 HE1 LYS 3 12.936 -2.854 -4.564 31 1HZ LYS 3 HZ1 LYS 3 13.833 -5.568 -5.271 32 2HZ LYS 3 HZ2 LYS 3 14.736 -4.144 -5.146 33 3HZ LYS 3 HZ3 LYS 3 13.714 -4.382 -6.472 34 H VAL 4 HN VAL 4 7.280 -7.325 -2.692 35 HA VAL 4 HA VAL 4 6.518 -4.995 -4.171 36 HB VAL 4 HB VAL 4 4.743 -7.217 -3.122 37 1HG1 VAL 4 HG11 VAL 4 3.170 -5.734 -3.779 38 2HG1 VAL 4 HG12 VAL 4 3.553 -6.370 -5.379 39 3HG1 VAL 4 HG13 VAL 4 4.280 -4.859 -4.834 40 1HG2 VAL 4 HG21 VAL 4 6.658 -7.934 -4.604 41 2HG2 VAL 4 HG22 VAL 4 5.905 -6.989 -5.888 42 3HG2 VAL 4 HG23 VAL 4 5.044 -8.354 -5.177 43 H PHE 5 HN PHE 5 6.714 -5.825 -0.966 44 HA PHE 5 HA PHE 5 4.672 -4.808 0.438 45 1HB PHE 5 HB2 PHE 5 6.743 -5.869 1.325 46 2HB PHE 5 HB1 PHE 5 7.597 -4.363 1.028 47 HD1 PHE 5 HD1 PHE 5 7.484 -2.570 2.561 48 HD2 PHE 5 HD2 PHE 5 4.898 -5.919 3.014 49 HE1 PHE 5 HE1 PHE 5 6.831 -1.758 4.790 50 HE2 PHE 5 HE2 PHE 5 4.238 -5.113 5.243 51 HZ PHE 5 HZ PHE 5 5.205 -3.030 6.133 52 H LYS 6 HN LYS 6 6.954 -3.041 -1.395 53 HA LYS 6 HA LYS 6 6.489 -0.478 -0.280 54 1HB LYS 6 HB2 LYS 6 8.063 -1.592 -2.411 55 2HB LYS 6 HB1 LYS 6 7.213 -0.172 -3.004 56 1HG LYS 6 HG2 LYS 6 8.967 0.941 -2.179 57 2HG LYS 6 HG1 LYS 6 8.147 0.740 -0.629 58 1HD LYS 6 HD2 LYS 6 9.519 -1.041 0.001 59 2HD LYS 6 HD1 LYS 6 10.042 -1.344 -1.657 60 1HE LYS 6 HE2 LYS 6 11.438 0.555 -1.672 61 2HE LYS 6 HE1 LYS 6 10.696 1.208 -0.212 62 1HZ LYS 6 HZ1 LYS 6 12.996 -0.105 -0.208 63 2HZ LYS 6 HZ2 LYS 6 11.945 -1.406 0.039 64 3HZ LYS 6 HZ3 LYS 6 11.940 -0.100 1.114 65 H ARG 7 HN ARG 7 5.162 -2.168 -3.105 66 HA ARG 7 HA ARG 7 3.464 -0.087 -3.952 67 1HB ARG 7 HB2 ARG 7 3.562 -3.042 -4.392 68 2HB ARG 7 HB1 ARG 7 2.108 -2.169 -4.856 69 1HG ARG 7 HG2 ARG 7 3.610 -0.632 -6.186 70 2HG ARG 7 HG1 ARG 7 4.900 -1.801 -5.898 71 1HD ARG 7 HD2 ARG 7 4.106 -3.200 -7.446 72 2HD ARG 7 HD1 ARG 7 2.457 -3.059 -6.840 73 HE ARG 7 HE ARG 7 3.339 -0.773 -8.344 74 1HH1 ARG 7 HH11 ARG 7 1.891 -3.942 -8.538 75 2HH1 ARG 7 HH12 ARG 7 1.106 -3.628 -10.049 76 1HH2 ARG 7 HH21 ARG 7 2.308 -0.359 -10.332 77 2HH2 ARG 7 HH22 ARG 7 1.343 -1.594 -11.069 78 H LEU 8 HN LEU 8 3.174 -2.565 -1.507 79 HA LEU 8 HA LEU 8 0.397 -2.360 -1.050 80 1HB LEU 8 HB2 LEU 8 2.707 -3.584 0.251 81 2HB LEU 8 HB1 LEU 8 1.507 -3.019 1.398 82 HG LEU 8 HG LEU 8 0.212 -4.457 -0.733 83 1HD1 LEU 8 HD11 LEU 8 1.286 -6.689 0.278 84 2HD1 LEU 8 HD12 LEU 8 2.696 -5.633 0.347 85 3HD1 LEU 8 HD13 LEU 8 1.879 -5.913 -1.191 86 1HD2 LEU 8 HD21 LEU 8 0.379 -5.617 1.967 87 2HD2 LEU 8 HD22 LEU 8 -1.029 -5.248 0.972 88 3HD2 LEU 8 HD23 LEU 8 -0.231 -3.964 1.882 89 H GLU 9 HN GLU 9 3.158 -0.498 0.030 90 HA GLU 9 HA GLU 9 1.852 0.896 2.123 91 1HB GLU 9 HB2 GLU 9 4.280 1.546 0.451 92 2HB GLU 9 HB1 GLU 9 3.720 2.585 1.754 93 1HG GLU 9 HG2 GLU 9 4.035 0.788 3.353 94 2HG GLU 9 HG1 GLU 9 4.536 -0.297 2.057 95 H LYS 10 HN LYS 10 2.117 1.419 -1.341 96 HA LYS 10 HA LYS 10 1.021 4.050 -1.317 97 1HB LYS 10 HB2 LYS 10 1.249 1.982 -3.511 98 2HB LYS 10 HB1 LYS 10 0.641 3.611 -3.771 99 1HG LYS 10 HG2 LYS 10 3.125 3.817 -2.420 100 2HG LYS 10 HG1 LYS 10 3.325 2.694 -3.766 101 1HD LYS 10 HD2 LYS 10 1.843 5.212 -4.290 102 2HD LYS 10 HD1 LYS 10 3.587 5.330 -4.051 103 1HE LYS 10 HE2 LYS 10 3.882 4.702 -6.160 104 2HE LYS 10 HE1 LYS 10 3.161 3.142 -5.770 105 1HZ LYS 10 HZ1 LYS 10 1.981 5.455 -7.100 106 2HZ LYS 10 HZ2 LYS 10 0.968 4.558 -6.085 107 3HZ LYS 10 HZ3 LYS 10 1.743 3.804 -7.386 108 H LEU 11 HN LEU 11 -0.302 0.809 -1.642 109 HA LEU 11 HA LEU 11 -2.950 1.603 -2.265 110 1HB LEU 11 HB2 LEU 11 -1.538 -0.861 -1.664 111 2HB LEU 11 HB1 LEU 11 -3.116 -0.832 -0.902 112 HG LEU 11 HG LEU 11 -3.107 -1.913 -3.136 113 1HD1 LEU 11 HD11 LEU 11 -5.211 -1.221 -3.559 114 2HD1 LEU 11 HD12 LEU 11 -4.767 0.486 -3.557 115 3HD1 LEU 11 HD13 LEU 11 -5.004 -0.366 -2.031 116 1HD2 LEU 11 HD21 LEU 11 -2.686 0.847 -4.251 117 2HD2 LEU 11 HD22 LEU 11 -2.748 -0.685 -5.121 118 3HD2 LEU 11 HD23 LEU 11 -1.378 -0.323 -4.072 119 H PHE 12 HN PHE 12 -1.138 1.250 0.698 120 HA PHE 12 HA PHE 12 -3.333 1.268 2.488 121 1HB PHE 12 HB2 PHE 12 -1.017 0.566 3.097 122 2HB PHE 12 HB1 PHE 12 -0.514 2.250 2.988 123 HD1 PHE 12 HD1 PHE 12 -3.559 0.707 4.475 124 HD2 PHE 12 HD2 PHE 12 0.006 2.937 5.125 125 HE1 PHE 12 HE1 PHE 12 -4.206 1.047 6.824 126 HE2 PHE 12 HE2 PHE 12 -0.634 3.281 7.476 127 HZ PHE 12 HZ PHE 12 -2.742 2.335 8.328 128 H SER 13 HN SER 13 -1.514 3.766 0.841 129 HA SER 13 HA SER 13 -2.431 5.961 2.375 130 1HB SER 13 HB2 SER 13 -1.069 5.586 -0.234 131 2HB SER 13 HB1 SER 13 -1.951 7.100 -0.029 132 HG SER 13 HG SER 13 0.423 6.700 0.779 133 H LYS 14 HN LYS 14 -3.741 4.217 -0.375 134 HA LYS 14 HA LYS 14 -5.789 6.074 -1.007 135 1HB LYS 14 HB2 LYS 14 -5.060 4.335 -2.582 136 2HB LYS 14 HB1 LYS 14 -5.665 3.090 -1.498 137 1HG LYS 14 HG2 LYS 14 -7.610 5.147 -2.321 138 2HG LYS 14 HG1 LYS 14 -7.048 4.049 -3.583 139 1HD LYS 14 HD2 LYS 14 -7.863 2.882 -0.973 140 2HD LYS 14 HD1 LYS 14 -9.130 3.467 -2.052 141 1HE LYS 14 HE2 LYS 14 -7.822 2.088 -3.848 142 2HE LYS 14 HE1 LYS 14 -7.177 1.242 -2.443 143 1HZ LYS 14 HZ1 LYS 14 -9.872 1.368 -1.993 144 2HZ LYS 14 HZ2 LYS 14 -9.011 0.015 -2.530 145 3HZ LYS 14 HZ3 LYS 14 -9.755 1.041 -3.649 146 H ILE 15 HN ILE 15 -5.572 3.334 1.189 147 HA ILE 15 HA ILE 15 -8.323 3.251 1.876 148 HB ILE 15 HB ILE 15 -5.999 2.386 3.602 149 1HG1 ILE 15 HG12 ILE 15 -7.514 0.823 1.499 150 2HG1 ILE 15 HG11 ILE 15 -5.846 1.371 1.369 151 1HG2 ILE 15 HG21 ILE 15 -8.540 2.573 4.370 152 2HG2 ILE 15 HG22 ILE 15 -7.479 1.275 4.918 153 3HG2 ILE 15 HG23 ILE 15 -8.611 0.990 3.596 154 1HD1 ILE 15 HD11 ILE 15 -6.904 -0.608 3.372 155 2HD1 ILE 15 HD12 ILE 15 -5.233 -0.057 3.251 156 3HD1 ILE 15 HD13 ILE 15 -5.955 -0.983 1.934 157 H GLN 16 HN GLN 16 -5.593 5.131 2.977 158 HA GLN 16 HA GLN 16 -6.808 6.120 5.354 159 1HB GLN 16 HB2 GLN 16 -4.281 6.229 4.241 160 2HB GLN 16 HB1 GLN 16 -4.840 7.891 4.105 161 1HG GLN 16 HG2 GLN 16 -3.652 7.645 6.160 162 2HG GLN 16 HG1 GLN 16 -5.364 7.865 6.523 163 1HE2 GLN 16 HE21 GLN 16 -6.171 6.548 7.982 164 2HE2 GLN 16 HE22 GLN 16 -5.562 4.985 8.396 165 H ASN 17 HN ASN 17 -6.851 7.054 1.990 166 HA ASN 17 HA ASN 17 -7.961 9.654 2.410 167 1HB ASN 17 HB2 ASN 17 -6.743 8.555 0.307 168 2HB ASN 17 HB1 ASN 17 -8.406 8.208 -0.157 169 1HD2 ASN 17 HD21 ASN 17 -6.352 10.043 -1.267 170 2HD2 ASN 17 HD22 ASN 17 -7.119 11.590 -1.328 171 H TRP 18 HN TRP 18 -9.240 6.431 2.043 172 HA TRP 18 HA TRP 18 -11.955 7.330 1.631 173 1HB TRP 18 HB2 TRP 18 -10.825 5.119 0.806 174 2HB TRP 18 HB1 TRP 18 -11.230 4.526 2.414 175 HD1 TRP 18 HD1 TRP 18 -13.692 6.896 0.765 176 HE1 TRP 18 HE1 TRP 18 -15.810 5.588 0.112 177 HE3 TRP 18 HE3 TRP 18 -12.026 2.147 1.669 178 HZ2 TRP 18 HZ2 TRP 18 -16.662 2.899 -0.005 179 HZ3 TRP 18 HZ3 TRP 18 -13.554 0.263 1.261 180 HH2 TRP 18 HH2 TRP 18 -15.824 0.633 0.441 181 H LYS 19 HN LYS 19 -9.931 6.331 4.290 182 HA LYS 19 HA LYS 19 -11.986 5.821 6.168 183 1HB LYS 19 HB2 LYS 19 -9.155 5.770 6.127 184 2HB LYS 19 HB1 LYS 19 -9.623 6.820 7.458 185 1HG LYS 19 HG2 LYS 19 -11.233 4.893 8.089 186 2HG LYS 19 HG1 LYS 19 -10.191 3.916 7.054 187 1HD LYS 19 HD2 LYS 19 -9.229 3.645 9.148 188 2HD LYS 19 HD1 LYS 19 -8.259 4.939 8.441 189 1HE LYS 19 HE2 LYS 19 -10.087 6.458 9.591 190 2HE LYS 19 HE1 LYS 19 -10.275 5.045 10.628 191 1HZ LYS 19 HZ1 LYS 19 -8.126 5.234 11.416 192 2HZ LYS 19 HZ2 LYS 19 -8.595 6.853 11.285 193 3HZ LYS 19 HZ3 LYS 19 -7.599 6.164 10.105 194 1HN NH2 20 NH1 NH2 20 -10.119 8.706 5.380 195 2HN NH2 20 NH2 NH2 20 -11.105 9.816 6.262
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