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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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5165 |
1gib ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 2H ARG 1 -2.375 -4.064 -16.163 2 2H ARG 1 1H ARG 1 -0.966 -3.728 -17.050 3 3H ARG 1 3H ARG 1 -2.070 -4.889 -17.617 4 HA ARG 1 HA ARG 1 -1.599 -6.334 -15.800 5 1HB ARG 1 2HB ARG 1 -0.068 -6.283 -17.851 6 2HB ARG 1 1HB ARG 1 1.040 -5.283 -16.929 7 1HG ARG 1 2HG ARG 1 1.342 -7.065 -15.261 8 2HG ARG 1 1HG ARG 1 0.097 -8.043 -16.019 9 1HD ARG 1 2HD ARG 1 1.521 -8.067 -18.132 10 2HD ARG 1 1HD ARG 1 2.796 -7.275 -17.208 11 HE ARG 1 HE ARG 1 2.505 -9.336 -15.619 12 1HH1 ARG 1 1HH1 ARG 1 0.724 -11.011 -17.006 13 2HH1 ARG 1 2HH1 ARG 1 1.700 -11.915 -18.116 14 1HH2 ARG 1 1HH2 ARG 1 4.387 -9.681 -17.892 15 2HH2 ARG 1 2HH2 ARG 1 3.824 -11.144 -18.629 16 H ASP 2 H ASP 2 -0.777 -6.675 -13.806 17 HA ASP 2 HA ASP 2 -0.229 -6.160 -11.614 18 1HB ASP 2 2HB ASP 2 2.029 -6.049 -12.825 19 2HB ASP 2 1HB ASP 2 1.860 -4.306 -12.875 20 H CYS 3 H CYS 3 -2.169 -5.147 -11.151 21 HA CYS 3 HA CYS 3 -1.907 -2.322 -10.411 22 1HB CYS 3 2HB CYS 3 -3.984 -3.331 -12.359 23 2HB CYS 3 1HB CYS 3 -4.223 -1.868 -11.447 24 H CYS 4 H CYS 4 -4.182 -5.031 -10.602 25 HA CYS 4 HA CYS 4 -5.642 -4.121 -8.249 26 1HB CYS 4 2HB CYS 4 -5.709 -6.761 -9.705 27 2HB CYS 4 1HB CYS 4 -6.859 -6.221 -8.512 28 H THR 5 H THR 5 -2.769 -5.775 -8.732 29 HA THR 5 HA THR 5 -2.791 -7.692 -6.638 30 HB THR 5 HB THR 5 -0.974 -7.773 -8.296 31 HG1 THR 5 HG1 THR 5 -0.675 -7.794 -5.729 32 1HG2 THR 5 2HG2 THR 5 -0.884 -5.105 -8.523 33 2HG2 THR 5 1HG2 THR 5 0.213 -5.202 -7.153 34 3HG2 THR 5 3HG2 THR 5 0.606 -6.017 -8.654 35 HA HYP 6 HA HYP 6 -3.511 -4.746 -3.504 36 1HB HYP 6 1HB HYP 6 -4.298 -6.128 -1.902 37 2HB HYP 6 2HB HYP 6 -2.673 -6.314 -1.262 38 1HD HYP 6 1HD1 HYP 6 -3.672 -8.109 -4.824 39 2HD HYP 6 2HD1 HYP 6 -1.962 -8.359 -4.432 40 HOD HYP 6 HD2 HYP 6 -4.520 -9.260 -2.945 41 HG HYP 6 HG HYP 6 -2.545 -8.492 -2.142 42 HA HYP 7 HA HYP 7 -3.529 -3.105 -2.212 43 1HB HYP 7 1HB HYP 7 -3.011 -1.305 -0.945 44 2HB HYP 7 2HB HYP 7 -2.450 -0.465 -2.381 45 1HD HYP 7 1HD1 HYP 7 0.188 -3.425 -1.211 46 2HD HYP 7 2HD1 HYP 7 0.403 -2.586 -2.753 47 HOD HYP 7 HD2 HYP 7 -0.029 -1.777 0.400 48 HG HYP 7 HG HYP 7 -0.241 -0.660 -1.535 49 H ARG 8 H ARG 8 -4.895 -2.080 -3.716 50 HA ARG 8 HA ARG 8 -4.419 -2.491 -6.432 51 1HB ARG 8 2HB ARG 8 -6.361 -0.682 -4.962 52 2HB ARG 8 1HB ARG 8 -6.389 -0.834 -6.708 53 1HG ARG 8 2HG ARG 8 -6.488 -3.416 -6.287 54 2HG ARG 8 1HG ARG 8 -6.896 -2.992 -4.636 55 1HD ARG 8 2HD ARG 8 -8.912 -1.850 -5.327 56 2HD ARG 8 1HD ARG 8 -8.432 -1.885 -7.021 57 HE ARG 8 HE ARG 8 -9.101 -4.138 -7.145 58 1HH1 ARG 8 2HH1 ARG 8 -7.777 -5.338 -4.871 59 2HH1 ARG 8 1HH1 ARG 8 -9.069 -5.704 -3.778 60 1HH2 ARG 8 1HH2 ARG 8 -11.313 -3.543 -5.378 61 2HH2 ARG 8 2HH2 ARG 8 -11.120 -4.664 -4.071 62 H LYS 9 H LYS 9 -4.348 -0.976 -8.170 63 HA LYS 9 HA LYS 9 -2.717 1.477 -7.659 64 1HB LYS 9 2HB LYS 9 -1.460 -0.500 -8.583 65 2HB LYS 9 1HB LYS 9 -2.566 -0.490 -9.941 66 1HG LYS 9 2HG LYS 9 -1.760 1.937 -10.369 67 2HG LYS 9 1HG LYS 9 -0.438 1.551 -9.272 68 1HD LYS 9 2HD LYS 9 -0.134 -0.604 -10.710 69 2HD LYS 9 1HD LYS 9 -1.197 0.167 -11.869 70 1HE LYS 9 2HE LYS 9 0.405 2.049 -12.085 71 2HE LYS 9 1HE LYS 9 1.452 1.292 -10.888 72 1HZ LYS 9 1HZ LYS 9 0.982 -0.698 -12.642 73 2HZ LYS 9 3HZ LYS 9 1.084 0.660 -13.656 74 3HZ LYS 9 2HZ LYS 9 2.373 0.280 -12.613 75 H CYS 10 H CYS 10 -4.497 -0.111 -10.250 76 HA CYS 10 HA CYS 10 -5.951 0.647 -11.880 77 1HB CYS 10 2HB CYS 10 -6.931 2.449 -9.670 78 2HB CYS 10 1HB CYS 10 -7.870 1.817 -11.000 79 H LYS 11 H LYS 11 -3.430 2.208 -11.515 80 HA LYS 11 HA LYS 11 -4.080 4.965 -12.232 81 1HB LYS 11 2HB LYS 11 -1.492 3.389 -12.092 82 2HB LYS 11 1HB LYS 11 -1.534 5.052 -12.627 83 1HG LYS 11 2HG LYS 11 -3.044 4.657 -10.104 84 2HG LYS 11 1HG LYS 11 -1.368 4.177 -9.954 85 1HD LYS 11 2HD LYS 11 -0.548 6.332 -10.475 86 2HD LYS 11 1HD LYS 11 -2.038 6.828 -11.256 87 1HE LYS 11 2HE LYS 11 -1.687 7.860 -8.973 88 2HE LYS 11 1HE LYS 11 -3.199 6.976 -9.123 89 1HZ LYS 11 1HZ LYS 11 -0.754 5.698 -8.078 90 2HZ LYS 11 3HZ LYS 11 -1.812 6.570 -7.073 91 3HZ LYS 11 2HZ LYS 11 -2.371 5.202 -7.916 92 H ASP 12 H ASP 12 -2.845 2.127 -13.908 93 HA ASP 12 HA ASP 12 -2.445 3.368 -16.453 94 1HB ASP 12 2HB ASP 12 -3.057 0.440 -15.853 95 2HB ASP 12 1HB ASP 12 -2.267 1.065 -17.285 96 H ARG 13 H ARG 13 -3.691 3.274 -18.321 97 HA ARG 13 HA ARG 13 -6.447 3.862 -18.053 98 1HB ARG 13 2HB ARG 13 -4.976 4.497 -20.005 99 2HB ARG 13 1HB ARG 13 -5.008 2.830 -20.547 100 1HG ARG 13 2HG ARG 13 -7.438 2.921 -20.867 101 2HG ARG 13 1HG ARG 13 -7.519 4.516 -20.145 102 1HD ARG 13 2HD ARG 13 -5.589 4.545 -22.350 103 2HD ARG 13 1HD ARG 13 -7.120 3.881 -22.899 104 HE ARG 13 HE ARG 13 -8.201 5.959 -22.344 105 1HH1 ARG 13 2HH1 ARG 13 -6.157 6.403 -20.033 106 2HH1 ARG 13 1HH1 ARG 13 -5.405 7.867 -20.575 107 1HH2 ARG 13 1HH2 ARG 13 -6.705 7.568 -23.816 108 2HH2 ARG 13 2HH2 ARG 13 -5.722 8.543 -22.774 109 H ARG 14 H ARG 14 -4.976 0.943 -19.451 110 HA ARG 14 HA ARG 14 -7.324 -0.575 -19.708 111 1HB ARG 14 2HB ARG 14 -4.519 -1.607 -19.158 112 2HB ARG 14 1HB ARG 14 -5.828 -2.525 -19.881 113 1HG ARG 14 2HG ARG 14 -5.884 -0.622 -21.690 114 2HG ARG 14 1HG ARG 14 -4.313 -0.167 -21.057 115 1HD ARG 14 2HD ARG 14 -5.010 -2.949 -22.096 116 2HD ARG 14 1HD ARG 14 -4.108 -1.729 -22.992 117 HE ARG 14 HE ARG 14 -2.918 -2.242 -20.398 118 1HH1 ARG 14 1HH2 ARG 14 -1.018 -1.736 -22.346 119 2HH1 ARG 14 2HH2 ARG 14 -0.494 -3.278 -22.938 120 1HH2 ARG 14 2HH1 ARG 14 -3.305 -4.941 -21.665 121 2HH2 ARG 14 1HH1 ARG 14 -1.824 -5.142 -22.542 122 H CYS 15 H CYS 15 -5.661 0.223 -16.837 123 HA CYS 15 HA CYS 15 -6.712 -2.053 -15.280 124 1HB CYS 15 2HB CYS 15 -4.885 0.264 -14.680 125 2HB CYS 15 1HB CYS 15 -5.461 -0.806 -13.440 126 H LYS 16 H LYS 16 -8.016 0.853 -16.218 127 HA LYS 16 HA LYS 16 -9.346 1.507 -13.697 128 1HB LYS 16 2HB LYS 16 -8.654 2.968 -15.965 129 2HB LYS 16 1HB LYS 16 -10.374 2.768 -16.201 130 1HG LYS 16 2HG LYS 16 -9.292 3.697 -13.518 131 2HG LYS 16 1HG LYS 16 -9.504 4.822 -14.843 132 1HD LYS 16 2HD LYS 16 -11.912 4.100 -15.040 133 2HD LYS 16 1HD LYS 16 -11.691 3.074 -13.633 134 1HE LYS 16 2HE LYS 16 -11.215 4.998 -12.217 135 2HE LYS 16 1HE LYS 16 -11.168 6.076 -13.607 136 1HZ LYS 16 1HZ LYS 16 -13.602 4.597 -13.467 137 2HZ LYS 16 3HZ LYS 16 -13.335 5.532 -12.074 138 3HZ LYS 16 2HZ LYS 16 -13.347 6.270 -13.603 139 HA HYP 17 HA HYP 17 -13.151 -0.195 -16.096 140 1HB HYP 17 1HB HYP 17 -13.202 -0.498 -18.372 141 2HB HYP 17 2HB HYP 17 -12.350 -2.019 -18.188 142 1HD HYP 17 1HD1 HYP 17 -9.831 1.142 -17.446 143 2HD HYP 17 2HD1 HYP 17 -9.335 -0.534 -17.202 144 HOD HYP 17 HD2 HYP 17 -11.725 0.672 -20.036 145 HG HYP 17 HG HYP 17 -10.540 -0.960 -19.219 146 H MET 18 H MET 18 -10.284 -1.865 -15.411 147 HA MET 18 HA MET 18 -11.071 -4.553 -15.127 148 1HB MET 18 2HB MET 18 -9.122 -2.833 -13.553 149 2HB MET 18 1HB MET 18 -9.365 -4.520 -13.133 150 1HG MET 18 2HG MET 18 -8.888 -5.109 -15.539 151 2HG MET 18 1HG MET 18 -8.465 -3.444 -15.798 152 1HE MET 18 2HE MET 18 -7.704 -6.386 -13.320 153 2HE MET 18 1HE MET 18 -7.278 -6.911 -14.968 154 3HE MET 18 3HE MET 18 -6.033 -6.690 -13.750 155 H LYS 19 H LYS 19 -12.484 -5.520 -13.935 156 HA LYS 19 HA LYS 19 -14.466 -4.415 -12.385 157 1HB LYS 19 2HB LYS 19 -14.845 -6.706 -11.483 158 2HB LYS 19 1HB LYS 19 -14.568 -6.682 -13.205 159 1HG LYS 19 2HG LYS 19 -13.072 -8.349 -12.778 160 2HG LYS 19 1HG LYS 19 -11.981 -7.049 -12.385 161 1HD LYS 19 2HD LYS 19 -11.812 -7.783 -10.251 162 2HD LYS 19 1HD LYS 19 -13.529 -7.569 -10.000 163 1HE LYS 19 2HE LYS 19 -12.266 -10.046 -11.254 164 2HE LYS 19 1HE LYS 19 -12.798 -9.921 -9.584 165 1HZ LYS 19 3HZ LYS 19 -14.528 -9.601 -11.966 166 2HZ LYS 19 2HZ LYS 19 -14.453 -10.970 -10.963 167 3HZ LYS 19 1HZ LYS 19 -15.035 -9.497 -10.349 168 H CYS 20 H CYS 20 -11.357 -5.511 -11.131 169 HA CYS 20 HA CYS 20 -11.883 -5.407 -8.382 170 1HB CYS 20 2HB CYS 20 -9.627 -5.660 -8.096 171 2HB CYS 20 1HB CYS 20 -9.777 -6.143 -9.757 172 H CYS 21 H CYS 21 -11.152 -2.788 -10.564 173 HA CYS 21 HA CYS 21 -10.976 -0.792 -8.379 174 1HB CYS 21 2HB CYS 21 -10.798 -0.370 -11.379 175 2HB CYS 21 1HB CYS 21 -10.291 0.735 -10.130 176 H ALA 22 H ALA 22 -12.766 -1.573 -11.265 177 HA ALA 22 HA ALA 22 -15.324 -0.721 -10.196 178 1HB ALA 22 1HB ALA 22 -13.958 0.876 -12.417 179 2HB ALA 22 3HB ALA 22 -15.691 0.939 -12.133 180 3HB ALA 22 2HB ALA 22 -14.578 1.493 -10.894 No H/Q in entry = 180 Start of MODEL 2 1 1H ARG 1 1H ARG 1 0.564 -7.956 -14.557 2 2H ARG 1 3H ARG 1 1.073 -9.482 -14.007 3 3H ARG 1 2H ARG 1 -0.369 -9.339 -14.902 4 HA ARG 1 HA ARG 1 -1.513 -8.341 -13.185 5 1HB ARG 1 2HB ARG 1 0.501 -10.332 -12.041 6 2HB ARG 1 1HB ARG 1 -0.789 -9.679 -11.053 7 1HG ARG 1 2HG ARG 1 -1.758 -10.672 -13.685 8 2HG ARG 1 1HG ARG 1 -0.970 -11.919 -12.747 9 1HD ARG 1 2HD ARG 1 -3.482 -11.718 -12.347 10 2HD ARG 1 1HD ARG 1 -2.508 -11.623 -10.891 11 HE ARG 1 HE ARG 1 -3.135 -9.358 -10.647 12 1HH1 ARG 1 1HH1 ARG 1 -5.308 -10.743 -12.636 13 2HH1 ARG 1 2HH1 ARG 1 -5.706 -9.334 -13.560 14 1HH2 ARG 1 1HH2 ARG 1 -3.037 -7.474 -12.264 15 2HH2 ARG 1 2HH2 ARG 1 -4.390 -7.439 -13.345 16 H ASP 2 H ASP 2 -1.294 -6.290 -12.690 17 HA ASP 2 HA ASP 2 0.516 -5.402 -10.610 18 1HB ASP 2 2HB ASP 2 1.631 -3.634 -12.194 19 2HB ASP 2 1HB ASP 2 2.195 -5.282 -12.341 20 H CYS 3 H CYS 3 -2.342 -5.398 -11.634 21 HA CYS 3 HA CYS 3 -2.908 -2.476 -11.356 22 1HB CYS 3 2HB CYS 3 -4.248 -4.685 -12.850 23 2HB CYS 3 1HB CYS 3 -5.228 -3.376 -12.249 24 H CYS 4 H CYS 4 -4.541 -5.535 -10.661 25 HA CYS 4 HA CYS 4 -5.893 -4.309 -8.354 26 1HB CYS 4 2HB CYS 4 -6.107 -7.080 -9.502 27 2HB CYS 4 1HB CYS 4 -7.190 -6.350 -8.345 28 H THR 5 H THR 5 -3.127 -6.228 -8.876 29 HA THR 5 HA THR 5 -3.076 -7.803 -6.531 30 HB THR 5 HB THR 5 -1.448 -8.209 -8.326 31 HG1 THR 5 HG1 THR 5 -0.957 -8.376 -5.973 32 1HG2 THR 5 3HG2 THR 5 -1.109 -5.645 -8.903 33 2HG2 THR 5 2HG2 THR 5 -0.016 -5.624 -7.525 34 3HG2 THR 5 1HG2 THR 5 0.317 -6.666 -8.895 35 HA HYP 6 HA HYP 6 -3.198 -4.548 -3.659 36 1HB HYP 6 1HB HYP 6 -4.002 -5.813 -1.960 37 2HB HYP 6 2HB HYP 6 -2.368 -5.902 -1.326 38 1HD HYP 6 1HD1 HYP 6 -3.610 -8.082 -4.589 39 2HD HYP 6 2HD1 HYP 6 -1.867 -8.308 -4.360 40 HOD HYP 6 HD2 HYP 6 -4.781 -7.892 -3.016 41 HG HYP 6 HG HYP 6 -2.145 -8.145 -2.025 42 HA HYP 7 HA HYP 7 -2.982 -2.830 -2.571 43 1HB HYP 7 1HB HYP 7 -2.213 -1.031 -1.414 44 2HB HYP 7 2HB HYP 7 -1.708 -0.306 -2.932 45 1HD HYP 7 1HD1 HYP 7 0.798 -3.405 -1.795 46 2HD HYP 7 2HD1 HYP 7 0.925 -2.669 -3.397 47 HOD HYP 7 HD2 HYP 7 0.769 -1.411 -0.216 48 HG HYP 7 HG HYP 7 0.542 -0.638 -2.231 49 H ARG 8 H ARG 8 -4.333 -1.930 -4.179 50 HA ARG 8 HA ARG 8 -3.889 -2.546 -6.852 51 1HB ARG 8 2HB ARG 8 -5.753 -0.474 -5.627 52 2HB ARG 8 1HB ARG 8 -5.869 -1.046 -7.277 53 1HG ARG 8 2HG ARG 8 -5.883 -3.460 -6.073 54 2HG ARG 8 1HG ARG 8 -6.454 -2.511 -4.714 55 1HD ARG 8 2HD ARG 8 -8.382 -1.725 -5.944 56 2HD ARG 8 1HD ARG 8 -7.737 -2.307 -7.472 57 HE ARG 8 HE ARG 8 -8.228 -4.576 -6.787 58 1HH1 ARG 8 1HH2 ARG 8 -7.988 -3.512 -3.795 59 2HH1 ARG 8 2HH2 ARG 8 -9.584 -3.903 -3.250 60 1HH2 ARG 8 2HH1 ARG 8 -10.793 -4.487 -6.472 61 2HH2 ARG 8 1HH1 ARG 8 -11.198 -4.466 -4.792 62 H LYS 9 H LYS 9 -4.184 -0.976 -8.654 63 HA LYS 9 HA LYS 9 -2.577 1.505 -8.519 64 1HB LYS 9 2HB LYS 9 -1.193 -0.672 -9.192 65 2HB LYS 9 1HB LYS 9 -2.088 -0.577 -10.686 66 1HG LYS 9 2HG LYS 9 -0.415 0.749 -11.408 67 2HG LYS 9 1HG LYS 9 -1.222 2.023 -10.523 68 1HD LYS 9 2HD LYS 9 0.267 1.849 -8.666 69 2HD LYS 9 1HD LYS 9 0.840 0.263 -9.136 70 1HE LYS 9 2HE LYS 9 2.519 2.037 -9.669 71 2HE LYS 9 1HE LYS 9 1.967 1.215 -11.120 72 1HZ LYS 9 2HZ LYS 9 0.691 3.697 -10.169 73 2HZ LYS 9 1HZ LYS 9 2.064 3.725 -11.173 74 3HZ LYS 9 3HZ LYS 9 0.623 2.992 -11.710 75 H CYS 10 H CYS 10 -5.315 1.149 -8.660 76 HA CYS 10 HA CYS 10 -6.586 1.022 -11.129 77 1HB CYS 10 2HB CYS 10 -7.258 2.644 -8.691 78 2HB CYS 10 1HB CYS 10 -8.350 2.428 -10.031 79 H LYS 11 H LYS 11 -4.304 3.328 -10.514 80 HA LYS 11 HA LYS 11 -5.547 5.603 -11.858 81 1HB LYS 11 2HB LYS 11 -2.711 4.980 -10.938 82 2HB LYS 11 1HB LYS 11 -3.124 6.481 -11.747 83 1HG LYS 11 2HG LYS 11 -4.689 7.092 -9.978 84 2HG LYS 11 1HG LYS 11 -4.557 5.509 -9.232 85 1HD LYS 11 2HD LYS 11 -2.278 5.899 -8.539 86 2HD LYS 11 1HD LYS 11 -2.164 7.352 -9.517 87 1HE LYS 11 2HE LYS 11 -2.526 8.087 -7.239 88 2HE LYS 11 1HE LYS 11 -4.040 8.352 -8.091 89 1HZ LYS 11 2HZ LYS 11 -3.428 5.993 -6.408 90 2HZ LYS 11 1HZ LYS 11 -4.368 7.326 -5.938 91 3HZ LYS 11 3HZ LYS 11 -4.898 6.318 -7.194 92 H ASP 12 H ASP 12 -3.746 2.818 -12.738 93 HA ASP 12 HA ASP 12 -2.786 3.704 -15.311 94 1HB ASP 12 2HB ASP 12 -2.806 1.210 -13.666 95 2HB ASP 12 1HB ASP 12 -2.619 0.964 -15.382 96 H ARG 13 H ARG 13 -3.606 3.372 -17.289 97 HA ARG 13 HA ARG 13 -6.415 3.203 -17.683 98 1HB ARG 13 2HB ARG 13 -4.122 2.877 -19.652 99 2HB ARG 13 1HB ARG 13 -5.802 3.096 -20.129 100 1HG ARG 13 2HG ARG 13 -5.804 5.208 -18.661 101 2HG ARG 13 1HG ARG 13 -4.063 5.026 -18.545 102 1HD ARG 13 2HD ARG 13 -3.890 5.222 -21.031 103 2HD ARG 13 1HD ARG 13 -5.638 5.448 -21.118 104 HE ARG 13 HE ARG 13 -3.684 7.355 -19.941 105 1HH1 ARG 13 2HH1 ARG 13 -6.378 7.093 -18.490 106 2HH1 ARG 13 1HH1 ARG 13 -7.267 8.384 -19.229 107 1HH2 ARG 13 1HH2 ARG 13 -4.993 8.732 -21.861 108 2HH2 ARG 13 2HH2 ARG 13 -6.466 9.335 -21.175 109 H ARG 14 H ARG 14 -4.252 0.625 -17.230 110 HA ARG 14 HA ARG 14 -5.877 -1.328 -18.688 111 1HB ARG 14 2HB ARG 14 -3.181 -1.289 -17.312 112 2HB ARG 14 1HB ARG 14 -3.944 -2.843 -17.520 113 1HG ARG 14 2HG ARG 14 -3.346 -2.904 -19.727 114 2HG ARG 14 1HG ARG 14 -4.228 -1.433 -20.034 115 1HD ARG 14 2HD ARG 14 -1.415 -1.354 -18.898 116 2HD ARG 14 1HD ARG 14 -1.776 -1.297 -20.619 117 HE ARG 14 HE ARG 14 -3.247 0.726 -20.038 118 1HH1 ARG 14 1HH2 ARG 14 -3.174 1.344 -17.393 119 2HH1 ARG 14 2HH2 ARG 14 -1.698 2.187 -17.096 120 1HH2 ARG 14 2HH1 ARG 14 -0.179 1.119 -20.027 121 2HH2 ARG 14 1HH1 ARG 14 0.001 2.050 -18.575 122 H CYS 15 H CYS 15 -5.419 -0.044 -15.584 123 HA CYS 15 HA CYS 15 -6.758 -2.223 -14.148 124 1HB CYS 15 2HB CYS 15 -6.043 0.496 -13.120 125 2HB CYS 15 1HB CYS 15 -6.192 -1.001 -12.225 126 H LYS 16 H LYS 16 -7.353 1.106 -15.089 127 HA LYS 16 HA LYS 16 -9.695 1.796 -13.890 128 1HB LYS 16 2HB LYS 16 -8.395 2.454 -16.443 129 2HB LYS 16 1HB LYS 16 -10.132 2.595 -16.584 130 1HG LYS 16 2HG LYS 16 -9.976 3.989 -14.353 131 2HG LYS 16 1HG LYS 16 -8.262 4.069 -14.696 132 1HD LYS 16 2HD LYS 16 -10.189 4.803 -16.915 133 2HD LYS 16 1HD LYS 16 -9.978 5.938 -15.602 134 1HE LYS 16 2HE LYS 16 -7.580 4.789 -17.066 135 2HE LYS 16 1HE LYS 16 -8.411 6.228 -17.628 136 1HZ LYS 16 1HZ LYS 16 -7.956 6.440 -14.870 137 2HZ LYS 16 3HZ LYS 16 -6.491 6.056 -15.633 138 3HZ LYS 16 2HZ LYS 16 -7.375 7.420 -16.128 139 HA HYP 17 HA HYP 17 -12.557 -0.570 -16.891 140 1HB HYP 17 1HB HYP 17 -11.897 -1.264 -18.971 141 2HB HYP 17 2HB HYP 17 -11.265 -2.732 -18.253 142 1HD HYP 17 1HD1 HYP 17 -8.843 0.473 -17.327 143 2HD HYP 17 2HD1 HYP 17 -8.640 -1.137 -16.630 144 HOD HYP 17 HD2 HYP 17 -10.043 -0.512 -20.253 145 HG HYP 17 HG HYP 17 -9.145 -1.940 -18.792 146 H MET 18 H MET 18 -9.968 -2.556 -15.644 147 HA MET 18 HA MET 18 -11.205 -4.957 -14.999 148 1HB MET 18 2HB MET 18 -9.243 -3.472 -13.189 149 2HB MET 18 1HB MET 18 -9.604 -5.183 -13.125 150 1HG MET 18 2HG MET 18 -8.860 -5.448 -15.459 151 2HG MET 18 1HG MET 18 -8.476 -3.758 -15.524 152 1HE MET 18 1HE MET 18 -7.807 -7.135 -14.589 153 2HE MET 18 3HE MET 18 -6.069 -7.228 -14.540 154 3HE MET 18 2HE MET 18 -6.980 -6.977 -13.036 155 H LYS 19 H LYS 19 -12.701 -5.683 -13.645 156 HA LYS 19 HA LYS 19 -14.599 -4.112 -12.385 157 1HB LYS 19 2HB LYS 19 -14.587 -6.675 -12.832 158 2HB LYS 19 1HB LYS 19 -13.793 -6.831 -11.282 159 1HG LYS 19 2HG LYS 19 -16.087 -7.095 -10.769 160 2HG LYS 19 1HG LYS 19 -15.766 -5.440 -10.298 161 1HD LYS 19 2HD LYS 19 -16.876 -4.547 -12.206 162 2HD LYS 19 1HD LYS 19 -16.766 -6.050 -13.104 163 1HE LYS 19 2HE LYS 19 -18.384 -5.869 -10.539 164 2HE LYS 19 1HE LYS 19 -19.079 -5.464 -12.101 165 1HZ LYS 19 3HZ LYS 19 -18.214 -7.707 -12.843 166 2HZ LYS 19 2HZ LYS 19 -18.007 -8.055 -11.194 167 3HZ LYS 19 1HZ LYS 19 -19.555 -7.693 -11.799 168 H CYS 20 H CYS 20 -11.632 -5.310 -10.937 169 HA CYS 20 HA CYS 20 -12.099 -4.710 -8.252 170 1HB CYS 20 2HB CYS 20 -9.854 -5.127 -7.926 171 2HB CYS 20 1HB CYS 20 -10.154 -5.925 -9.430 172 H CYS 21 H CYS 21 -11.775 -2.432 -10.748 173 HA CYS 21 HA CYS 21 -11.288 -0.209 -8.809 174 1HB CYS 21 2HB CYS 21 -10.581 -0.418 -11.764 175 2HB CYS 21 1HB CYS 21 -10.336 1.006 -10.785 176 H ALA 22 H ALA 22 -12.872 -1.319 -11.737 177 HA ALA 22 HA ALA 22 -14.615 0.761 -12.346 178 1HB ALA 22 3HB ALA 22 -14.243 -1.638 -13.461 179 2HB ALA 22 2HB ALA 22 -15.625 -2.089 -12.485 180 3HB ALA 22 1HB ALA 22 -15.776 -0.822 -13.684 No H/Q in entry = 180 Start of MODEL 3 1 1H ARG 1 1H ARG 1 3.969 -7.105 -11.784 2 2H ARG 1 3H ARG 1 4.733 -7.309 -13.289 3 3H ARG 1 2H ARG 1 5.332 -6.165 -12.181 4 HA ARG 1 HA ARG 1 3.712 -4.667 -12.583 5 1HB ARG 1 2HB ARG 1 4.904 -5.602 -14.843 6 2HB ARG 1 1HB ARG 1 3.271 -6.091 -15.227 7 1HG ARG 1 2HG ARG 1 3.408 -3.915 -16.141 8 2HG ARG 1 1HG ARG 1 2.567 -3.657 -14.629 9 1HD ARG 1 2HD ARG 1 5.527 -3.496 -14.337 10 2HD ARG 1 1HD ARG 1 4.868 -2.303 -15.448 11 HE ARG 1 HE ARG 1 3.283 -2.375 -13.055 12 1HH1 ARG 1 1HH1 ARG 1 6.223 -2.379 -12.187 13 2HH1 ARG 1 2HH1 ARG 1 6.517 -0.681 -12.012 14 1HH2 ARG 1 1HH2 ARG 1 3.641 0.215 -13.791 15 2HH2 ARG 1 2HH2 ARG 1 5.027 0.819 -12.945 16 H ASP 2 H ASP 2 1.751 -4.497 -11.786 17 HA ASP 2 HA ASP 2 -0.411 -6.333 -12.655 18 1HB ASP 2 2HB ASP 2 0.376 -5.734 -9.773 19 2HB ASP 2 1HB ASP 2 -1.126 -6.527 -10.223 20 H CYS 3 H CYS 3 -2.410 -5.517 -11.229 21 HA CYS 3 HA CYS 3 -2.664 -2.555 -11.428 22 1HB CYS 3 2HB CYS 3 -4.240 -4.695 -12.821 23 2HB CYS 3 1HB CYS 3 -5.098 -3.283 -12.292 24 H CYS 4 H CYS 4 -4.089 -5.590 -10.422 25 HA CYS 4 HA CYS 4 -5.564 -4.250 -8.234 26 1HB CYS 4 2HB CYS 4 -5.827 -7.120 -9.051 27 2HB CYS 4 1HB CYS 4 -6.976 -6.102 -8.238 28 H THR 5 H THR 5 -2.646 -5.814 -8.574 29 HA THR 5 HA THR 5 -2.595 -7.526 -6.297 30 HB THR 5 HB THR 5 -0.343 -6.017 -7.731 31 HG1 THR 5 HG1 THR 5 -1.286 -8.697 -7.628 32 1HG2 THR 5 2HG2 THR 5 -0.225 -8.319 -5.687 33 2HG2 THR 5 1HG2 THR 5 1.128 -7.776 -6.665 34 3HG2 THR 5 3HG2 THR 5 0.464 -6.723 -5.430 35 HA HYP 6 HA HYP 6 -3.267 -4.311 -3.338 36 1HB HYP 6 1HB HYP 6 -3.947 -5.477 -1.536 37 2HB HYP 6 2HB HYP 6 -2.291 -5.852 -1.097 38 1HD HYP 6 1HD1 HYP 6 -3.645 -7.702 -4.508 39 2HD HYP 6 2HD1 HYP 6 -1.963 -8.040 -4.069 40 HOD HYP 6 HD2 HYP 6 -4.707 -8.534 -2.470 41 HG HYP 6 HG HYP 6 -2.642 -8.060 -1.806 42 HA HYP 7 HA HYP 7 -3.164 -2.582 -2.134 43 1HB HYP 7 1HB HYP 7 -2.535 -0.642 -1.149 44 2HB HYP 7 2HB HYP 7 -1.975 -0.022 -2.693 45 1HD HYP 7 1HD1 HYP 7 0.537 -2.963 -1.258 46 2HD HYP 7 2HD1 HYP 7 0.772 -2.287 -2.874 47 HOD HYP 7 HD2 HYP 7 0.447 -1.116 0.184 48 HG HYP 7 HG HYP 7 0.237 -0.225 -1.854 49 H ARG 8 H ARG 8 -4.624 -2.101 -3.720 50 HA ARG 8 HA ARG 8 -4.132 -2.648 -6.427 51 1HB ARG 8 2HB ARG 8 -6.310 -1.100 -4.994 52 2HB ARG 8 1HB ARG 8 -6.302 -1.178 -6.738 53 1HG ARG 8 2HG ARG 8 -5.958 -3.857 -6.052 54 2HG ARG 8 1HG ARG 8 -6.962 -3.279 -4.745 55 1HD ARG 8 2HD ARG 8 -8.235 -2.147 -6.970 56 2HD ARG 8 1HD ARG 8 -7.640 -3.666 -7.618 57 HE ARG 8 HE ARG 8 -9.238 -4.778 -6.319 58 1HH1 ARG 8 1HH2 ARG 8 -9.148 -4.714 -3.735 59 2HH1 ARG 8 2HH2 ARG 8 -10.152 -3.442 -3.122 60 1HH2 ARG 8 2HH1 ARG 8 -10.295 -1.788 -6.202 61 2HH2 ARG 8 1HH1 ARG 8 -10.819 -1.748 -4.552 62 H LYS 9 H LYS 9 -3.175 -1.564 -8.012 63 HA LYS 9 HA LYS 9 -2.166 1.143 -7.563 64 1HB LYS 9 2HB LYS 9 -0.866 -0.663 -8.746 65 2HB LYS 9 1HB LYS 9 -2.031 -0.627 -10.054 66 1HG LYS 9 2HG LYS 9 -1.489 1.796 -10.438 67 2HG LYS 9 1HG LYS 9 -0.316 1.726 -9.137 68 1HD LYS 9 2HD LYS 9 0.955 -0.022 -10.388 69 2HD LYS 9 1HD LYS 9 -0.219 0.061 -11.692 70 1HE LYS 9 2HE LYS 9 0.439 2.261 -12.313 71 2HE LYS 9 1HE LYS 9 1.214 2.574 -10.766 72 1HZ LYS 9 3HZ LYS 9 2.229 0.375 -12.384 73 2HZ LYS 9 2HZ LYS 9 2.577 1.961 -12.887 74 3HZ LYS 9 1HZ LYS 9 3.053 1.434 -11.343 75 H CYS 10 H CYS 10 -4.096 -0.354 -10.097 76 HA CYS 10 HA CYS 10 -5.671 0.449 -11.567 77 1HB CYS 10 2HB CYS 10 -6.506 1.838 -9.012 78 2HB CYS 10 1HB CYS 10 -7.523 1.730 -10.423 79 H LYS 11 H LYS 11 -3.223 2.142 -11.236 80 HA LYS 11 HA LYS 11 -4.058 4.889 -11.778 81 1HB LYS 11 2HB LYS 11 -1.879 4.093 -10.616 82 2HB LYS 11 1HB LYS 11 -1.297 3.699 -12.222 83 1HG LYS 11 2HG LYS 11 -1.635 6.061 -12.932 84 2HG LYS 11 1HG LYS 11 -2.261 6.455 -11.339 85 1HD LYS 11 2HD LYS 11 -0.046 5.688 -10.353 86 2HD LYS 11 1HD LYS 11 0.560 5.490 -11.990 87 1HE LYS 11 2HE LYS 11 0.117 7.916 -12.434 88 2HE LYS 11 1HE LYS 11 -0.457 8.099 -10.783 89 1HZ LYS 11 1HZ LYS 11 1.811 7.127 -10.163 90 2HZ LYS 11 3HZ LYS 11 2.266 7.558 -11.740 91 3HZ LYS 11 2HZ LYS 11 1.721 8.748 -10.660 92 H ASP 12 H ASP 12 -2.953 2.119 -13.565 93 HA ASP 12 HA ASP 12 -2.665 3.416 -16.119 94 1HB ASP 12 2HB ASP 12 -2.727 0.562 -15.145 95 2HB ASP 12 1HB ASP 12 -2.780 0.876 -16.864 96 H ARG 13 H ARG 13 -3.949 3.491 -17.847 97 HA ARG 13 HA ARG 13 -6.780 3.623 -17.504 98 1HB ARG 13 2HB ARG 13 -6.821 3.964 -19.980 99 2HB ARG 13 1HB ARG 13 -5.606 4.953 -19.204 100 1HG ARG 13 2HG ARG 13 -4.277 2.502 -19.819 101 2HG ARG 13 1HG ARG 13 -5.285 2.811 -21.208 102 1HD ARG 13 2HD ARG 13 -3.719 5.178 -20.206 103 2HD ARG 13 1HD ARG 13 -2.780 3.854 -20.877 104 HE ARG 13 HE ARG 13 -4.174 4.051 -22.948 105 1HH1 ARG 13 1HH2 ARG 13 -6.205 5.889 -21.681 106 2HH1 ARG 13 2HH2 ARG 13 -5.753 7.425 -22.346 107 1HH2 ARG 13 2HH1 ARG 13 -2.604 6.271 -23.367 108 2HH2 ARG 13 1HH1 ARG 13 -3.655 7.647 -23.327 109 H ARG 14 H ARG 14 -4.749 1.001 -17.980 110 HA ARG 14 HA ARG 14 -6.590 -0.744 -19.377 111 1HB ARG 14 2HB ARG 14 -3.926 -1.255 -17.976 112 2HB ARG 14 1HB ARG 14 -4.813 -2.481 -18.854 113 1HG ARG 14 2HG ARG 14 -3.508 -1.796 -20.615 114 2HG ARG 14 1HG ARG 14 -4.752 -0.584 -20.802 115 1HD ARG 14 2HD ARG 14 -2.859 0.781 -20.778 116 2HD ARG 14 1HD ARG 14 -3.197 0.780 -19.057 117 HE ARG 14 HE ARG 14 -1.525 -1.138 -18.905 118 1HH1 ARG 14 2HH1 ARG 14 -1.150 -1.267 -21.904 119 2HH1 ARG 14 1HH1 ARG 14 0.343 -0.410 -22.106 120 1HH2 ARG 14 1HH2 ARG 14 0.179 0.996 -18.907 121 2HH2 ARG 14 2HH2 ARG 14 1.123 0.921 -20.362 122 H CYS 15 H CYS 15 -5.728 -0.019 -16.081 123 HA CYS 15 HA CYS 15 -7.097 -2.335 -14.935 124 1HB CYS 15 2HB CYS 15 -6.357 0.065 -13.374 125 2HB CYS 15 1HB CYS 15 -6.325 -1.599 -12.887 126 H LYS 16 H LYS 16 -7.605 1.111 -15.164 127 HA LYS 16 HA LYS 16 -9.766 1.642 -13.599 128 1HB LYS 16 2HB LYS 16 -9.043 2.623 -16.364 129 2HB LYS 16 1HB LYS 16 -10.485 3.239 -15.576 130 1HG LYS 16 2HG LYS 16 -9.158 4.042 -13.684 131 2HG LYS 16 1HG LYS 16 -7.722 3.245 -14.288 132 1HD LYS 16 2HD LYS 16 -7.209 5.192 -15.337 133 2HD LYS 16 1HD LYS 16 -8.480 4.814 -16.480 134 1HE LYS 16 2HE LYS 16 -10.113 5.989 -14.900 135 2HE LYS 16 1HE LYS 16 -8.712 6.523 -13.978 136 1HZ LYS 16 3HZ LYS 16 -8.258 7.034 -16.694 137 2HZ LYS 16 2HZ LYS 16 -9.781 7.653 -16.274 138 3HZ LYS 16 1HZ LYS 16 -8.401 8.135 -15.411 139 HA HYP 17 HA HYP 17 -13.121 0.052 -16.556 140 1HB HYP 17 1HB HYP 17 -12.690 -0.069 -18.817 141 2HB HYP 17 2HB HYP 17 -12.326 -1.766 -18.566 142 1HD HYP 17 1HD1 HYP 17 -9.396 0.907 -17.322 143 2HD HYP 17 2HD1 HYP 17 -9.242 -0.796 -16.886 144 HOD HYP 17 HD2 HYP 17 -9.631 1.008 -19.293 145 HG HYP 17 HG HYP 17 -10.100 -1.316 -19.014 146 H MET 18 H MET 18 -10.492 -2.124 -15.865 147 HA MET 18 HA MET 18 -11.868 -4.580 -15.606 148 1HB MET 18 2HB MET 18 -9.378 -3.552 -14.207 149 2HB MET 18 1HB MET 18 -10.008 -5.153 -13.932 150 1HG MET 18 2HG MET 18 -9.733 -4.336 -16.783 151 2HG MET 18 1HG MET 18 -8.275 -4.555 -15.878 152 1HE MET 18 1HE MET 18 -7.995 -6.748 -14.288 153 2HE MET 18 3HE MET 18 -7.853 -8.185 -15.277 154 3HE MET 18 2HE MET 18 -7.016 -6.720 -15.773 155 H LYS 19 H LYS 19 -12.997 -5.507 -14.130 156 HA LYS 19 HA LYS 19 -14.688 -4.268 -12.368 157 1HB LYS 19 2HB LYS 19 -13.648 -7.060 -12.619 158 2HB LYS 19 1HB LYS 19 -14.449 -6.693 -11.113 159 1HG LYS 19 2HG LYS 19 -16.281 -7.343 -12.334 160 2HG LYS 19 1HG LYS 19 -16.336 -5.632 -12.674 161 1HD LYS 19 2HD LYS 19 -14.661 -7.331 -14.533 162 2HD LYS 19 1HD LYS 19 -16.393 -7.563 -14.599 163 1HE LYS 19 2HE LYS 19 -16.724 -5.126 -14.988 164 2HE LYS 19 1HE LYS 19 -14.983 -4.884 -14.955 165 1HZ LYS 19 3HZ LYS 19 -14.788 -6.423 -16.813 166 2HZ LYS 19 2HZ LYS 19 -16.478 -6.582 -16.862 167 3HZ LYS 19 1HZ LYS 19 -15.756 -5.080 -17.193 168 H CYS 20 H CYS 20 -11.624 -5.727 -11.315 169 HA CYS 20 HA CYS 20 -11.787 -5.327 -8.587 170 1HB CYS 20 2HB CYS 20 -9.550 -5.750 -8.493 171 2HB CYS 20 1HB CYS 20 -9.906 -6.343 -10.085 172 H CYS 21 H CYS 21 -11.149 -2.811 -10.943 173 HA CYS 21 HA CYS 21 -10.585 -0.841 -8.778 174 1HB CYS 21 2HB CYS 21 -10.456 -0.539 -11.793 175 2HB CYS 21 1HB CYS 21 -9.916 0.635 -10.624 176 H ALA 22 H ALA 22 -12.649 -1.512 -11.519 177 HA ALA 22 HA ALA 22 -14.974 -0.279 -10.276 178 1HB ALA 22 3HB ALA 22 -13.790 0.899 -12.836 179 2HB ALA 22 2HB ALA 22 -15.353 1.330 -12.163 180 3HB ALA 22 1HB ALA 22 -13.879 1.714 -11.287 No H/Q in entry = 180 Start of MODEL 4 1 1H ARG 1 2H ARG 1 4.109 -7.087 -10.416 2 2H ARG 1 1H ARG 1 4.922 -6.050 -9.346 3 3H ARG 1 3H ARG 1 3.328 -6.531 -9.013 4 HA ARG 1 HA ARG 1 3.284 -4.310 -9.812 5 1HB ARG 1 2HB ARG 1 4.992 -5.511 -12.024 6 2HB ARG 1 1HB ARG 1 4.030 -4.080 -12.346 7 1HG ARG 1 2HG ARG 1 5.134 -2.966 -10.345 8 2HG ARG 1 1HG ARG 1 6.168 -4.375 -10.193 9 1HD ARG 1 2HD ARG 1 7.356 -2.648 -11.480 10 2HD ARG 1 1HD ARG 1 6.974 -3.983 -12.560 11 HE ARG 1 HE ARG 1 5.175 -2.640 -13.519 12 1HH1 ARG 1 1HH1 ARG 1 4.982 -0.950 -10.922 13 2HH1 ARG 1 2HH1 ARG 1 5.504 0.589 -11.520 14 1HH2 ARG 1 1HH2 ARG 1 6.820 -0.779 -14.465 15 2HH2 ARG 1 2HH2 ARG 1 6.573 0.689 -13.578 16 H ASP 2 H ASP 2 1.179 -4.258 -10.028 17 HA ASP 2 HA ASP 2 -0.154 -5.204 -12.431 18 1HB ASP 2 2HB ASP 2 0.009 -7.251 -10.770 19 2HB ASP 2 1HB ASP 2 -1.168 -6.364 -9.814 20 H CYS 3 H CYS 3 -2.509 -4.813 -12.241 21 HA CYS 3 HA CYS 3 -3.002 -2.088 -11.404 22 1HB CYS 3 2HB CYS 3 -4.577 -4.243 -12.750 23 2HB CYS 3 1HB CYS 3 -5.404 -2.834 -12.175 24 H CYS 4 H CYS 4 -4.156 -5.238 -10.303 25 HA CYS 4 HA CYS 4 -5.434 -3.886 -7.979 26 1HB CYS 4 2HB CYS 4 -6.185 -6.355 -9.541 27 2HB CYS 4 1HB CYS 4 -6.901 -5.978 -8.002 28 H THR 5 H THR 5 -2.621 -5.162 -8.388 29 HA THR 5 HA THR 5 -2.639 -7.357 -6.470 30 HB THR 5 HB THR 5 -0.787 -7.384 -8.104 31 HG1 THR 5 HG1 THR 5 -0.548 -7.855 -5.767 32 1HG2 THR 5 1HG2 THR 5 -0.679 -4.665 -8.132 33 2HG2 THR 5 3HG2 THR 5 0.436 -4.911 -6.797 34 3HG2 THR 5 2HG2 THR 5 0.784 -5.598 -8.369 35 HA HYP 6 HA HYP 6 -3.211 -4.523 -3.146 36 1HB HYP 6 1HB HYP 6 -3.880 -5.895 -1.483 37 2HB HYP 6 2HB HYP 6 -2.224 -6.336 -1.106 38 1HD HYP 6 1HD1 HYP 6 -3.512 -7.808 -4.717 39 2HD HYP 6 2HD1 HYP 6 -1.828 -8.120 -4.259 40 HOD HYP 6 HD2 HYP 6 -4.720 -8.690 -2.190 41 HG HYP 6 HG HYP 6 -2.639 -8.445 -2.055 42 HA HYP 7 HA HYP 7 -3.070 -2.822 -1.978 43 1HB HYP 7 1HB HYP 7 -2.414 -0.976 -0.849 44 2HB HYP 7 2HB HYP 7 -1.863 -0.260 -2.356 45 1HD HYP 7 1HD1 HYP 7 0.672 -3.284 -1.126 46 2HD HYP 7 2HD1 HYP 7 0.849 -2.529 -2.711 47 HOD HYP 7 HD2 HYP 7 0.595 -1.606 0.406 48 HG HYP 7 HG HYP 7 0.359 -0.522 -1.562 49 H ARG 8 H ARG 8 -4.463 -2.414 -3.577 50 HA ARG 8 HA ARG 8 -3.958 -2.746 -6.289 51 1HB ARG 8 2HB ARG 8 -6.151 -1.095 -4.983 52 2HB ARG 8 1HB ARG 8 -6.141 -1.590 -6.655 53 1HG ARG 8 2HG ARG 8 -5.787 -4.038 -5.391 54 2HG ARG 8 1HG ARG 8 -6.770 -3.173 -4.226 55 1HD ARG 8 2HD ARG 8 -8.344 -2.543 -6.153 56 2HD ARG 8 1HD ARG 8 -7.447 -3.666 -7.155 57 HE ARG 8 HE ARG 8 -8.387 -5.477 -5.936 58 1HH1 ARG 8 1HH2 ARG 8 -8.130 -4.759 -3.185 59 2HH1 ARG 8 2HH2 ARG 8 -9.730 -4.323 -2.685 60 1HH2 ARG 8 2HH1 ARG 8 -10.876 -3.917 -5.964 61 2HH2 ARG 8 1HH1 ARG 8 -11.316 -3.845 -4.291 62 H LYS 9 H LYS 9 -3.271 -1.542 -7.924 63 HA LYS 9 HA LYS 9 -2.320 1.211 -7.409 64 1HB LYS 9 2HB LYS 9 -1.271 -0.937 -8.857 65 2HB LYS 9 1HB LYS 9 -1.943 0.033 -10.142 66 1HG LYS 9 2HG LYS 9 0.295 0.811 -9.861 67 2HG LYS 9 1HG LYS 9 -0.725 2.045 -9.162 68 1HD LYS 9 2HD LYS 9 0.817 1.809 -7.424 69 2HD LYS 9 1HD LYS 9 -0.343 0.610 -6.897 70 1HE LYS 9 2HE LYS 9 1.934 -0.179 -8.738 71 2HE LYS 9 1HE LYS 9 2.167 -0.071 -7.004 72 1HZ LYS 9 1HZ LYS 9 0.154 -1.573 -6.825 73 2HZ LYS 9 3HZ LYS 9 0.348 -1.877 -8.480 74 3HZ LYS 9 2HZ LYS 9 1.596 -2.248 -7.397 75 H CYS 10 H CYS 10 -4.005 -0.344 -10.083 76 HA CYS 10 HA CYS 10 -5.663 0.338 -11.508 77 1HB CYS 10 2HB CYS 10 -6.574 1.968 -9.151 78 2HB CYS 10 1HB CYS 10 -7.576 1.428 -10.473 79 H LYS 11 H LYS 11 -3.270 2.299 -11.005 80 HA LYS 11 HA LYS 11 -4.376 4.864 -11.852 81 1HB LYS 11 2HB LYS 11 -1.756 3.814 -10.944 82 2HB LYS 11 1HB LYS 11 -1.600 5.019 -12.200 83 1HG LYS 11 2HG LYS 11 -3.413 6.320 -10.672 84 2HG LYS 11 1HG LYS 11 -2.734 5.299 -9.426 85 1HD LYS 11 2HD LYS 11 -0.633 6.305 -9.535 86 2HD LYS 11 1HD LYS 11 -0.799 6.771 -11.219 87 1HE LYS 11 2HE LYS 11 -2.512 8.016 -9.038 88 2HE LYS 11 1HE LYS 11 -0.953 8.685 -9.497 89 1HZ LYS 11 1HZ LYS 11 -2.425 8.176 -11.824 90 2HZ LYS 11 3HZ LYS 11 -3.418 9.030 -10.744 91 3HZ LYS 11 2HZ LYS 11 -1.912 9.671 -11.199 92 H ASP 12 H ASP 12 -3.423 2.087 -13.518 93 HA ASP 12 HA ASP 12 -2.683 3.500 -15.995 94 1HB ASP 12 2HB ASP 12 -2.847 0.581 -15.193 95 2HB ASP 12 1HB ASP 12 -2.463 1.091 -16.822 96 H ARG 13 H ARG 13 -3.828 3.409 -17.904 97 HA ARG 13 HA ARG 13 -6.673 3.543 -17.739 98 1HB ARG 13 2HB ARG 13 -4.895 3.101 -20.178 99 2HB ARG 13 1HB ARG 13 -6.593 3.532 -20.256 100 1HG ARG 13 2HG ARG 13 -5.691 5.523 -18.593 101 2HG ARG 13 1HG ARG 13 -4.226 5.213 -19.500 102 1HD ARG 13 2HD ARG 13 -6.929 5.794 -20.806 103 2HD ARG 13 1HD ARG 13 -5.681 7.000 -20.529 104 HE ARG 13 HE ARG 13 -4.204 5.713 -22.053 105 1HH1 ARG 13 2HH1 ARG 13 -5.445 3.118 -22.198 106 2HH1 ARG 13 1HH1 ARG 13 -6.398 3.177 -23.644 107 1HH2 ARG 13 1HH2 ARG 13 -6.321 6.676 -23.786 108 2HH2 ARG 13 2HH2 ARG 13 -6.906 5.245 -24.567 109 H ARG 14 H ARG 14 -4.566 0.908 -18.022 110 HA ARG 14 HA ARG 14 -6.249 -0.992 -19.326 111 1HB ARG 14 2HB ARG 14 -3.880 -1.270 -17.441 112 2HB ARG 14 1HB ARG 14 -4.634 -2.656 -18.211 113 1HG ARG 14 2HG ARG 14 -3.973 -1.979 -20.389 114 2HG ARG 14 1HG ARG 14 -3.693 -0.318 -19.902 115 1HD ARG 14 2HD ARG 14 -1.541 -1.573 -20.228 116 2HD ARG 14 1HD ARG 14 -1.719 -0.993 -18.577 117 HE ARG 14 HE ARG 14 -2.441 -3.305 -17.951 118 1HH1 ARG 14 1HH2 ARG 14 -2.981 -4.606 -20.440 119 2HH1 ARG 14 2HH2 ARG 14 -1.506 -5.422 -20.838 120 1HH2 ARG 14 2HH1 ARG 14 0.394 -3.489 -18.619 121 2HH2 ARG 14 1HH1 ARG 14 0.455 -4.772 -19.779 122 H CYS 15 H CYS 15 -5.794 0.019 -16.023 123 HA CYS 15 HA CYS 15 -7.474 -2.063 -14.864 124 1HB CYS 15 2HB CYS 15 -6.882 0.371 -13.308 125 2HB CYS 15 1HB CYS 15 -6.764 -1.303 -12.865 126 H LYS 16 H LYS 16 -7.937 1.217 -15.875 127 HA LYS 16 HA LYS 16 -10.123 2.133 -14.533 128 1HB LYS 16 2HB LYS 16 -8.898 2.726 -17.018 129 2HB LYS 16 1HB LYS 16 -10.589 2.544 -17.408 130 1HG LYS 16 2HG LYS 16 -10.879 4.088 -15.195 131 2HG LYS 16 1HG LYS 16 -9.244 4.551 -15.611 132 1HD LYS 16 2HD LYS 16 -10.494 6.124 -16.823 133 2HD LYS 16 1HD LYS 16 -10.206 4.900 -18.042 134 1HE LYS 16 2HE LYS 16 -12.443 3.990 -17.763 135 2HE LYS 16 1HE LYS 16 -12.712 4.928 -16.300 136 1HZ LYS 16 1HZ LYS 16 -12.064 6.370 -18.752 137 2HZ LYS 16 3HZ LYS 16 -13.621 5.711 -18.591 138 3HZ LYS 16 2HZ LYS 16 -13.048 6.824 -17.444 139 HA HYP 17 HA HYP 17 -13.415 -0.313 -16.914 140 1HB HYP 17 1HB HYP 17 -13.107 -0.979 -19.078 141 2HB HYP 17 2HB HYP 17 -12.460 -2.493 -18.482 142 1HD HYP 17 1HD1 HYP 17 -9.741 0.588 -17.958 143 2HD HYP 17 2HD1 HYP 17 -9.536 -1.008 -17.227 144 HOD HYP 17 HD2 HYP 17 -11.490 -0.351 -20.626 145 HG HYP 17 HG HYP 17 -10.392 -1.813 -19.323 146 H MET 18 H MET 18 -10.647 -2.260 -15.998 147 HA MET 18 HA MET 18 -11.785 -4.646 -15.186 148 1HB MET 18 2HB MET 18 -9.517 -3.083 -13.878 149 2HB MET 18 1HB MET 18 -9.952 -4.706 -13.407 150 1HG MET 18 2HG MET 18 -9.725 -5.363 -15.859 151 2HG MET 18 1HG MET 18 -9.034 -3.794 -16.133 152 1HE MET 18 1HE MET 18 -8.773 -6.785 -13.672 153 2HE MET 18 3HE MET 18 -8.421 -7.431 -15.291 154 3HE MET 18 2HE MET 18 -7.173 -7.382 -14.051 155 H LYS 19 H LYS 19 -13.124 -5.323 -13.811 156 HA LYS 19 HA LYS 19 -14.689 -3.722 -12.079 157 1HB LYS 19 2HB LYS 19 -15.433 -6.008 -11.148 158 2HB LYS 19 1HB LYS 19 -15.640 -5.760 -12.869 159 1HG LYS 19 2HG LYS 19 -13.637 -7.073 -13.380 160 2HG LYS 19 1HG LYS 19 -13.220 -7.208 -11.685 161 1HD LYS 19 2HD LYS 19 -15.946 -8.181 -12.551 162 2HD LYS 19 1HD LYS 19 -14.556 -9.145 -13.003 163 1HE LYS 19 2HE LYS 19 -13.846 -9.269 -10.619 164 2HE LYS 19 1HE LYS 19 -15.234 -8.291 -10.157 165 1HZ LYS 19 2HZ LYS 19 -15.581 -10.793 -11.669 166 2HZ LYS 19 1HZ LYS 19 -15.408 -10.805 -9.981 167 3HZ LYS 19 3HZ LYS 19 -16.699 -9.968 -10.695 168 H CYS 20 H CYS 20 -11.816 -5.653 -11.437 169 HA CYS 20 HA CYS 20 -11.942 -5.535 -8.602 170 1HB CYS 20 2HB CYS 20 -9.708 -6.372 -8.664 171 2HB CYS 20 1HB CYS 20 -10.598 -7.125 -9.952 172 H CYS 21 H CYS 21 -11.301 -3.145 -10.869 173 HA CYS 21 HA CYS 21 -10.052 -1.335 -8.837 174 1HB CYS 21 2HB CYS 21 -9.494 -1.750 -11.765 175 2HB CYS 21 1HB CYS 21 -9.260 -0.161 -11.100 176 H ALA 22 H ALA 22 -12.874 -2.003 -9.868 177 HA ALA 22 HA ALA 22 -14.886 -0.912 -10.116 178 1HB ALA 22 2HB ALA 22 -13.622 0.551 -8.262 179 2HB ALA 22 1HB ALA 22 -13.620 1.772 -9.532 180 3HB ALA 22 3HB ALA 22 -15.134 1.106 -8.949 No H/Q in entry = 180 Start of MODEL 5 1 1H ARG 1 2H ARG 1 1.819 -8.100 -13.789 2 2H ARG 1 1H ARG 1 1.417 -9.749 -13.788 3 3H ARG 1 3H ARG 1 1.012 -8.777 -15.124 4 HA ARG 1 HA ARG 1 -0.763 -7.843 -14.117 5 1HB ARG 1 2HB ARG 1 -0.286 -10.457 -12.596 6 2HB ARG 1 1HB ARG 1 -1.716 -9.490 -12.317 7 1HG ARG 1 2HG ARG 1 -2.535 -10.899 -13.956 8 2HG ARG 1 1HG ARG 1 -1.983 -9.578 -14.959 9 1HD ARG 1 2HD ARG 1 -0.020 -11.797 -14.326 10 2HD ARG 1 1HD ARG 1 -1.279 -12.092 -15.519 11 HE ARG 1 HE ARG 1 0.111 -9.573 -15.961 12 1HH1 ARG 1 1HH1 ARG 1 -0.935 -11.210 -18.148 13 2HH1 ARG 1 2HH1 ARG 1 0.483 -11.945 -18.820 14 1HH2 ARG 1 1HH2 ARG 1 2.424 -11.242 -15.986 15 2HH2 ARG 1 2HH2 ARG 1 2.436 -11.964 -17.561 16 H ASP 2 H ASP 2 -0.138 -5.975 -13.198 17 HA ASP 2 HA ASP 2 0.412 -6.009 -10.260 18 1HB ASP 2 2HB ASP 2 1.833 -4.268 -12.330 19 2HB ASP 2 1HB ASP 2 2.094 -4.201 -10.593 20 H CYS 3 H CYS 3 -2.006 -5.522 -11.894 21 HA CYS 3 HA CYS 3 -2.541 -2.642 -11.481 22 1HB CYS 3 2HB CYS 3 -3.924 -4.900 -12.877 23 2HB CYS 3 1HB CYS 3 -4.909 -3.579 -12.320 24 H CYS 4 H CYS 4 -4.558 -5.453 -10.830 25 HA CYS 4 HA CYS 4 -5.722 -4.197 -8.476 26 1HB CYS 4 2HB CYS 4 -6.096 -6.979 -9.605 27 2HB CYS 4 1HB CYS 4 -7.115 -6.203 -8.428 28 H THR 5 H THR 5 -2.941 -5.927 -8.943 29 HA THR 5 HA THR 5 -2.790 -7.729 -6.773 30 HB THR 5 HB THR 5 -0.609 -6.135 -8.227 31 HG1 THR 5 HG1 THR 5 -0.560 -8.053 -9.352 32 1HG2 THR 5 3HG2 THR 5 -0.374 -8.637 -6.442 33 2HG2 THR 5 2HG2 THR 5 0.930 -7.894 -7.356 34 3HG2 THR 5 1HG2 THR 5 0.242 -7.060 -5.974 35 HA HYP 6 HA HYP 6 -3.563 -4.416 -3.899 36 1HB HYP 6 1HB HYP 6 -4.632 -5.429 -2.184 37 2HB HYP 6 2HB HYP 6 -3.149 -6.159 -1.593 38 1HD HYP 6 1HD1 HYP 6 -4.103 -7.803 -5.221 39 2HD HYP 6 2HD1 HYP 6 -2.630 -8.268 -4.358 40 HOD HYP 6 HD2 HYP 6 -5.589 -6.567 -4.131 41 HG HYP 6 HG HYP 6 -4.021 -8.201 -2.414 42 HA HYP 7 HA HYP 7 -3.418 -2.695 -2.579 43 1HB HYP 7 1HB HYP 7 -2.694 -0.773 -1.618 44 2HB HYP 7 2HB HYP 7 -1.785 -0.345 -3.056 45 1HD HYP 7 1HD1 HYP 7 0.057 -3.552 -1.271 46 2HD HYP 7 2HD1 HYP 7 0.563 -2.885 -2.831 47 HOD HYP 7 HD2 HYP 7 -0.195 -1.999 0.199 48 HG HYP 7 HG HYP 7 0.165 -0.796 -1.757 49 H ARG 8 H ARG 8 -4.618 -1.953 -4.245 50 HA ARG 8 HA ARG 8 -3.974 -2.654 -6.894 51 1HB ARG 8 2HB ARG 8 -6.052 -0.667 -5.884 52 2HB ARG 8 1HB ARG 8 -6.028 -1.374 -7.487 53 1HG ARG 8 2HG ARG 8 -6.094 -3.683 -6.307 54 2HG ARG 8 1HG ARG 8 -6.472 -2.801 -4.841 55 1HD ARG 8 2HD ARG 8 -8.473 -1.798 -5.941 56 2HD ARG 8 1HD ARG 8 -8.086 -2.657 -7.427 57 HE ARG 8 HE ARG 8 -8.540 -4.771 -6.264 58 1HH1 ARG 8 1HH2 ARG 8 -8.108 -3.830 -3.483 59 2HH1 ARG 8 2HH2 ARG 8 -9.722 -3.697 -2.866 60 1HH2 ARG 8 2HH1 ARG 8 -11.157 -3.778 -6.063 61 2HH2 ARG 8 1HH1 ARG 8 -11.493 -3.672 -4.368 62 H LYS 9 H LYS 9 -4.157 -1.115 -8.749 63 HA LYS 9 HA LYS 9 -2.786 1.487 -8.374 64 1HB LYS 9 2HB LYS 9 -1.129 -0.484 -8.906 65 2HB LYS 9 1HB LYS 9 -1.854 -0.509 -10.503 66 1HG LYS 9 2HG LYS 9 -1.318 1.977 -10.692 67 2HG LYS 9 1HG LYS 9 -0.477 1.855 -9.159 68 1HD LYS 9 2HD LYS 9 1.163 0.336 -10.057 69 2HD LYS 9 1HD LYS 9 0.251 0.100 -11.536 70 1HE LYS 9 2HE LYS 9 2.166 1.700 -11.841 71 2HE LYS 9 1HE LYS 9 0.618 2.464 -12.171 72 1HZ LYS 9 1HZ LYS 9 1.727 2.588 -9.464 73 2HZ LYS 9 3HZ LYS 9 2.330 3.626 -10.665 74 3HZ LYS 9 2HZ LYS 9 0.682 3.664 -10.259 75 H CYS 10 H CYS 10 -5.274 1.460 -8.691 76 HA CYS 10 HA CYS 10 -6.396 1.178 -11.301 77 1HB CYS 10 2HB CYS 10 -7.299 2.852 -8.962 78 2HB CYS 10 1HB CYS 10 -8.283 2.447 -10.345 79 H LYS 11 H LYS 11 -3.969 3.122 -10.880 80 HA LYS 11 HA LYS 11 -5.021 5.659 -11.885 81 1HB LYS 11 2HB LYS 11 -2.177 4.618 -11.613 82 2HB LYS 11 1HB LYS 11 -2.599 6.274 -11.998 83 1HG LYS 11 2HG LYS 11 -3.083 6.803 -9.825 84 2HG LYS 11 1HG LYS 11 -3.971 5.323 -9.548 85 1HD LYS 11 2HD LYS 11 -2.027 5.309 -8.100 86 2HD LYS 11 1HD LYS 11 -1.786 4.082 -9.329 87 1HE LYS 11 2HE LYS 11 -0.334 5.649 -10.620 88 2HE LYS 11 1HE LYS 11 -0.621 6.907 -9.425 89 1HZ LYS 11 1HZ LYS 11 0.331 4.395 -8.366 90 2HZ LYS 11 3HZ LYS 11 1.426 5.219 -9.367 91 3HZ LYS 11 2HZ LYS 11 0.791 5.987 -7.992 92 H ASP 12 H ASP 12 -3.501 2.776 -13.110 93 HA ASP 12 HA ASP 12 -2.955 3.760 -15.763 94 1HB ASP 12 2HB ASP 12 -3.223 0.852 -14.995 95 2HB ASP 12 1HB ASP 12 -2.184 1.560 -16.210 96 H ARG 13 H ARG 13 -3.992 3.438 -17.639 97 HA ARG 13 HA ARG 13 -6.862 3.240 -17.626 98 1HB ARG 13 2HB ARG 13 -4.806 3.167 -19.870 99 2HB ARG 13 1HB ARG 13 -6.528 3.171 -20.181 100 1HG ARG 13 2HG ARG 13 -5.165 5.311 -18.485 101 2HG ARG 13 1HG ARG 13 -5.345 5.462 -20.219 102 1HD ARG 13 2HD ARG 13 -7.347 6.462 -19.696 103 2HD ARG 13 1HD ARG 13 -7.945 4.817 -19.505 104 HE ARG 13 HE ARG 13 -6.760 5.586 -17.042 105 1HH1 ARG 13 1HH2 ARG 13 -8.056 8.167 -17.787 106 2HH1 ARG 13 2HH2 ARG 13 -9.642 7.995 -17.117 107 1HH2 ARG 13 2HH1 ARG 13 -9.329 4.519 -16.769 108 2HH2 ARG 13 1HH1 ARG 13 -10.380 5.870 -16.512 109 H ARG 14 H ARG 14 -4.491 0.888 -17.494 110 HA ARG 14 HA ARG 14 -5.987 -1.211 -18.859 111 1HB ARG 14 2HB ARG 14 -3.378 -0.863 -18.773 112 2HB ARG 14 1HB ARG 14 -3.482 -1.611 -17.199 113 1HG ARG 14 2HG ARG 14 -3.313 -3.602 -18.318 114 2HG ARG 14 1HG ARG 14 -4.999 -3.376 -18.719 115 1HD ARG 14 2HD ARG 14 -3.730 -3.835 -20.783 116 2HD ARG 14 1HD ARG 14 -4.315 -2.175 -20.826 117 HE ARG 14 HE ARG 14 -2.071 -1.398 -20.473 118 1HH1 ARG 14 1HH2 ARG 14 -1.344 -3.714 -18.620 119 2HH1 ARG 14 2HH2 ARG 14 -0.121 -4.513 -19.549 120 1HH2 ARG 14 2HH1 ARG 14 -0.989 -2.847 -22.504 121 2HH2 ARG 14 1HH1 ARG 14 0.087 -4.010 -21.802 122 H CYS 15 H CYS 15 -5.320 -0.022 -15.676 123 HA CYS 15 HA CYS 15 -6.483 -2.332 -14.276 124 1HB CYS 15 2HB CYS 15 -5.623 0.316 -13.132 125 2HB CYS 15 1HB CYS 15 -5.757 -1.213 -12.304 126 H LYS 16 H LYS 16 -7.302 1.039 -14.896 127 HA LYS 16 HA LYS 16 -9.527 1.420 -13.312 128 1HB LYS 16 2HB LYS 16 -8.701 2.456 -16.017 129 2HB LYS 16 1HB LYS 16 -10.339 2.798 -15.508 130 1HG LYS 16 2HG LYS 16 -8.100 3.244 -13.565 131 2HG LYS 16 1HG LYS 16 -8.255 4.382 -14.883 132 1HD LYS 16 2HD LYS 16 -10.491 5.002 -14.242 133 2HD LYS 16 1HD LYS 16 -10.635 3.655 -13.128 134 1HE LYS 16 2HE LYS 16 -9.288 4.685 -11.497 135 2HE LYS 16 1HE LYS 16 -8.440 5.685 -12.674 136 1HZ LYS 16 1HZ LYS 16 -11.285 6.002 -11.926 137 2HZ LYS 16 3HZ LYS 16 -10.004 6.939 -11.319 138 3HZ LYS 16 2HZ LYS 16 -10.393 7.000 -12.972 139 HA HYP 17 HA HYP 17 -12.520 -0.350 -16.571 140 1HB HYP 17 1HB HYP 17 -11.965 -0.729 -18.769 141 2HB HYP 17 2HB HYP 17 -11.246 -2.269 -18.333 142 1HD HYP 17 1HD1 HYP 17 -8.762 0.643 -16.877 143 2HD HYP 17 2HD1 HYP 17 -8.645 -1.089 -16.564 144 HOD HYP 17 HD2 HYP 17 -9.718 0.606 -19.785 145 HG HYP 17 HG HYP 17 -9.206 -1.233 -18.898 146 H MET 18 H MET 18 -10.003 -2.314 -15.311 147 HA MET 18 HA MET 18 -11.412 -4.813 -15.144 148 1HB MET 18 2HB MET 18 -8.974 -3.627 -13.775 149 2HB MET 18 1HB MET 18 -9.639 -5.121 -13.159 150 1HG MET 18 2HG MET 18 -9.558 -5.510 -15.945 151 2HG MET 18 1HG MET 18 -8.124 -4.607 -15.592 152 1HE MET 18 2HE MET 18 -10.321 -7.422 -14.458 153 2HE MET 18 1HE MET 18 -9.574 -8.176 -15.883 154 3HE MET 18 3HE MET 18 -9.254 -8.790 -14.257 155 H LYS 19 H LYS 19 -12.754 -5.568 -13.703 156 HA LYS 19 HA LYS 19 -14.543 -4.080 -12.265 157 1HB LYS 19 2HB LYS 19 -13.556 -6.894 -11.763 158 2HB LYS 19 1HB LYS 19 -14.916 -6.225 -10.885 159 1HG LYS 19 2HG LYS 19 -14.852 -6.120 -13.924 160 2HG LYS 19 1HG LYS 19 -15.354 -7.580 -13.107 161 1HD LYS 19 2HD LYS 19 -16.619 -4.928 -12.337 162 2HD LYS 19 1HD LYS 19 -17.162 -5.774 -13.771 163 1HE LYS 19 2HE LYS 19 -17.762 -7.752 -12.468 164 2HE LYS 19 1HE LYS 19 -17.053 -7.061 -11.014 165 1HZ LYS 19 1HZ LYS 19 -18.788 -5.159 -11.885 166 2HZ LYS 19 3HZ LYS 19 -19.615 -6.618 -12.161 167 3HZ LYS 19 2HZ LYS 19 -19.042 -6.244 -10.607 168 H CYS 20 H CYS 20 -11.506 -5.265 -10.879 169 HA CYS 20 HA CYS 20 -11.991 -4.722 -8.184 170 1HB CYS 20 2HB CYS 20 -9.724 -4.932 -7.844 171 2HB CYS 20 1HB CYS 20 -9.988 -5.853 -9.291 172 H CYS 21 H CYS 21 -11.578 -2.420 -10.678 173 HA CYS 21 HA CYS 21 -11.221 -0.185 -8.732 174 1HB CYS 21 2HB CYS 21 -10.625 -0.325 -11.703 175 2HB CYS 21 1HB CYS 21 -10.361 1.070 -10.693 176 H ALA 22 H ALA 22 -12.758 -1.326 -11.636 177 HA ALA 22 HA ALA 22 -15.360 -0.272 -10.985 178 1HB ALA 22 3HB ALA 22 -13.707 1.126 -13.148 179 2HB ALA 22 2HB ALA 22 -15.457 1.261 -13.059 180 3HB ALA 22 1HB ALA 22 -14.459 1.870 -11.749 No H/Q in entry = 180 Start of MODEL 6 1 1H ARG 1 1H ARG 1 2.534 -8.950 -10.982 2 2H ARG 1 3H ARG 1 3.113 -8.990 -12.578 3 3H ARG 1 2H ARG 1 4.046 -8.271 -11.353 4 HA ARG 1 HA ARG 1 2.625 -6.468 -11.132 5 1HB ARG 1 2HB ARG 1 4.067 -6.608 -13.262 6 2HB ARG 1 1HB ARG 1 2.617 -7.066 -14.127 7 1HG ARG 1 2HG ARG 1 1.659 -4.954 -13.964 8 2HG ARG 1 1HG ARG 1 2.404 -4.596 -12.419 9 1HD ARG 1 2HD ARG 1 3.949 -4.705 -15.047 10 2HD ARG 1 1HD ARG 1 3.354 -3.221 -14.307 11 HE ARG 1 HE ARG 1 4.757 -4.098 -12.245 12 1HH1 ARG 1 1HH1 ARG 1 5.990 -6.240 -13.954 13 2HH1 ARG 1 2HH1 ARG 1 7.468 -5.489 -14.460 14 1HH2 ARG 1 1HH2 ARG 1 6.381 -2.281 -13.573 15 2HH2 ARG 1 2HH2 ARG 1 7.695 -3.194 -14.239 16 H ASP 2 H ASP 2 0.601 -5.784 -10.890 17 HA ASP 2 HA ASP 2 -1.626 -6.865 -12.463 18 1HB ASP 2 2HB ASP 2 -1.100 -8.433 -10.392 19 2HB ASP 2 1HB ASP 2 -1.833 -7.147 -9.456 20 H CYS 3 H CYS 3 -3.610 -5.801 -12.036 21 HA CYS 3 HA CYS 3 -3.273 -2.948 -11.534 22 1HB CYS 3 2HB CYS 3 -5.428 -4.723 -12.572 23 2HB CYS 3 1HB CYS 3 -5.866 -3.129 -12.037 24 H CYS 4 H CYS 4 -4.736 -5.602 -9.794 25 HA CYS 4 HA CYS 4 -5.710 -3.688 -7.734 26 1HB CYS 4 2HB CYS 4 -6.741 -6.281 -8.793 27 2HB CYS 4 1HB CYS 4 -7.127 -5.850 -7.151 28 H THR 5 H THR 5 -3.156 -5.716 -8.202 29 HA THR 5 HA THR 5 -3.074 -7.198 -5.768 30 HB THR 5 HB THR 5 -1.420 -7.776 -7.494 31 HG1 THR 5 HG1 THR 5 -0.874 -7.223 -5.003 32 1HG2 THR 5 3HG2 THR 5 -1.168 -5.163 -8.211 33 2HG2 THR 5 2HG2 THR 5 0.104 -5.183 -7.001 34 3HG2 THR 5 1HG2 THR 5 0.192 -6.255 -8.387 35 HA HYP 6 HA HYP 6 -2.985 -3.696 -3.094 36 1HB HYP 6 1HB HYP 6 -3.573 -4.678 -1.153 37 2HB HYP 6 2HB HYP 6 -1.890 -5.041 -0.811 38 1HD HYP 6 1HD1 HYP 6 -3.781 -7.151 -3.795 39 2HD HYP 6 2HD1 HYP 6 -2.074 -7.593 -3.624 40 HOD HYP 6 HD2 HYP 6 -4.296 -7.562 -0.833 41 HG HYP 6 HG HYP 6 -2.264 -7.310 -1.293 42 HA HYP 7 HA HYP 7 -2.547 -1.825 -2.298 43 1HB HYP 7 1HB HYP 7 -1.612 0.138 -1.678 44 2HB HYP 7 2HB HYP 7 -1.149 0.460 -3.341 45 1HD HYP 7 1HD1 HYP 7 1.191 -2.545 -1.760 46 2HD HYP 7 2HD1 HYP 7 1.268 -2.108 -3.471 47 HOD HYP 7 HD2 HYP 7 1.393 -0.670 -0.541 48 HG HYP 7 HG HYP 7 1.103 0.114 -2.656 49 H ARG 8 H ARG 8 -4.094 -1.481 -3.778 50 HA ARG 8 HA ARG 8 -4.151 -2.473 -6.325 51 1HB ARG 8 2HB ARG 8 -5.676 -0.259 -4.963 52 2HB ARG 8 1HB ARG 8 -5.966 -0.536 -6.659 53 1HG ARG 8 2HG ARG 8 -6.066 -3.130 -5.452 54 2HG ARG 8 1HG ARG 8 -6.900 -2.066 -4.341 55 1HD ARG 8 2HD ARG 8 -8.230 -1.176 -6.356 56 2HD ARG 8 1HD ARG 8 -7.510 -2.479 -7.289 57 HE ARG 8 HE ARG 8 -8.746 -4.081 -5.965 58 1HH1 ARG 8 2HH1 ARG 8 -8.999 -3.076 -3.347 59 2HH1 ARG 8 1HH1 ARG 8 -10.575 -2.362 -3.270 60 1HH2 ARG 8 1HH2 ARG 8 -10.884 -2.178 -6.754 61 2HH2 ARG 8 2HH2 ARG 8 -11.669 -1.840 -5.247 62 H LYS 9 H LYS 9 -3.117 -2.083 -8.114 63 HA LYS 9 HA LYS 9 -1.771 0.502 -8.617 64 1HB LYS 9 2HB LYS 9 -1.050 -2.153 -9.037 65 2HB LYS 9 1HB LYS 9 -1.560 -1.696 -10.641 66 1HG LYS 9 2HG LYS 9 0.392 0.001 -9.028 67 2HG LYS 9 1HG LYS 9 0.921 -1.343 -10.022 68 1HD LYS 9 2HD LYS 9 -0.310 -0.253 -11.985 69 2HD LYS 9 1HD LYS 9 -0.538 1.154 -10.962 70 1HE LYS 9 2HE LYS 9 1.649 1.819 -11.154 71 2HE LYS 9 1HE LYS 9 2.278 0.184 -11.047 72 1HZ LYS 9 2HZ LYS 9 1.096 0.085 -13.414 73 2HZ LYS 9 1HZ LYS 9 1.519 1.726 -13.371 74 3HZ LYS 9 3HZ LYS 9 2.718 0.539 -13.189 75 H CYS 10 H CYS 10 -4.649 0.311 -8.711 76 HA CYS 10 HA CYS 10 -5.636 0.226 -11.382 77 1HB CYS 10 2HB CYS 10 -6.770 1.591 -8.946 78 2HB CYS 10 1HB CYS 10 -7.657 1.234 -10.407 79 H LYS 11 H LYS 11 -3.416 2.318 -10.609 80 HA LYS 11 HA LYS 11 -4.628 4.851 -11.420 81 1HB LYS 11 2HB LYS 11 -1.770 3.937 -10.928 82 2HB LYS 11 1HB LYS 11 -2.157 5.575 -11.427 83 1HG LYS 11 2HG LYS 11 -3.467 5.980 -9.435 84 2HG LYS 11 1HG LYS 11 -3.429 4.287 -8.978 85 1HD LYS 11 2HD LYS 11 -1.031 4.375 -8.570 86 2HD LYS 11 1HD LYS 11 -0.929 6.009 -9.198 87 1HE LYS 11 2HE LYS 11 -1.727 6.947 -7.255 88 2HE LYS 11 1HE LYS 11 -2.898 5.667 -6.979 89 1HZ LYS 11 3HZ LYS 11 0.010 5.325 -6.594 90 2HZ LYS 11 2HZ LYS 11 -1.063 5.761 -5.352 91 3HZ LYS 11 1HZ LYS 11 -1.234 4.262 -6.136 92 H ASP 12 H ASP 12 -3.283 2.130 -12.985 93 HA ASP 12 HA ASP 12 -2.471 3.463 -15.443 94 1HB ASP 12 2HB ASP 12 -2.878 0.553 -14.659 95 2HB ASP 12 1HB ASP 12 -2.355 1.052 -16.253 96 H ARG 13 H ARG 13 -3.597 3.552 -17.365 97 HA ARG 13 HA ARG 13 -6.431 3.724 -17.249 98 1HB ARG 13 2HB ARG 13 -4.757 4.739 -18.997 99 2HB ARG 13 1HB ARG 13 -4.937 3.212 -19.842 100 1HG ARG 13 2HG ARG 13 -7.558 3.706 -19.477 101 2HG ARG 13 1HG ARG 13 -7.010 5.355 -19.290 102 1HD ARG 13 2HD ARG 13 -6.427 5.553 -21.538 103 2HD ARG 13 1HD ARG 13 -5.976 3.860 -21.692 104 HE ARG 13 HE ARG 13 -8.159 3.433 -22.401 105 1HH1 ARG 13 1HH2 ARG 13 -10.105 3.550 -20.639 106 2HH1 ARG 13 2HH2 ARG 13 -10.873 5.094 -20.735 107 1HH2 ARG 13 2HH1 ARG 13 -8.233 6.589 -22.461 108 2HH2 ARG 13 1HH1 ARG 13 -9.807 6.845 -21.784 109 H ARG 14 H ARG 14 -4.342 1.040 -17.986 110 HA ARG 14 HA ARG 14 -6.209 -0.647 -19.293 111 1HB ARG 14 2HB ARG 14 -4.624 -2.456 -18.778 112 2HB ARG 14 1HB ARG 14 -3.742 -1.016 -19.242 113 1HG ARG 14 2HG ARG 14 -3.694 -0.534 -16.630 114 2HG ARG 14 1HG ARG 14 -4.070 -2.235 -16.487 115 1HD ARG 14 2HD ARG 14 -1.656 -2.037 -16.399 116 2HD ARG 14 1HD ARG 14 -2.052 -2.726 -17.971 117 HE ARG 14 HE ARG 14 -1.875 0.191 -17.999 118 1HH1 ARG 14 1HH2 ARG 14 -1.142 -1.762 -20.192 119 2HH1 ARG 14 2HH2 ARG 14 0.583 -1.608 -20.237 120 1HH2 ARG 14 2HH1 ARG 14 0.683 -0.019 -17.115 121 2HH2 ARG 14 1HH1 ARG 14 1.667 -0.590 -18.427 122 H CYS 15 H CYS 15 -5.791 0.203 -15.989 123 HA CYS 15 HA CYS 15 -7.413 -1.989 -14.917 124 1HB CYS 15 2HB CYS 15 -6.437 0.409 -13.427 125 2HB CYS 15 1HB CYS 15 -6.796 -1.184 -12.823 126 H LYS 16 H LYS 16 -7.809 1.355 -15.725 127 HA LYS 16 HA LYS 16 -9.957 2.194 -14.221 128 1HB LYS 16 2HB LYS 16 -8.755 2.966 -16.715 129 2HB LYS 16 1HB LYS 16 -10.479 2.972 -16.992 130 1HG LYS 16 2HG LYS 16 -9.219 4.324 -14.575 131 2HG LYS 16 1HG LYS 16 -9.408 5.138 -16.114 132 1HD LYS 16 2HD LYS 16 -11.949 4.299 -15.893 133 2HD LYS 16 1HD LYS 16 -11.544 4.198 -14.190 134 1HE LYS 16 2HE LYS 16 -11.264 6.684 -15.938 135 2HE LYS 16 1HE LYS 16 -12.497 6.419 -14.715 136 1HZ LYS 16 1HZ LYS 16 -10.740 6.263 -13.052 137 2HZ LYS 16 3HZ LYS 16 -9.580 6.597 -14.246 138 3HZ LYS 16 2HZ LYS 16 -10.744 7.766 -13.842 139 HA HYP 17 HA HYP 17 -13.257 0.049 -16.866 140 1HB HYP 17 1HB HYP 17 -12.925 -0.232 -19.116 141 2HB HYP 17 2HB HYP 17 -12.332 -1.844 -18.772 142 1HD HYP 17 1HD1 HYP 17 -9.573 1.065 -17.764 143 2HD HYP 17 2HD1 HYP 17 -9.369 -0.619 -17.267 144 HOD HYP 17 HD2 HYP 17 -11.313 1.504 -19.145 145 HG HYP 17 HG HYP 17 -10.227 -1.104 -19.459 146 H MET 18 H MET 18 -10.525 -1.793 -15.818 147 HA MET 18 HA MET 18 -11.692 -4.363 -15.558 148 1HB MET 18 2HB MET 18 -9.425 -2.995 -14.097 149 2HB MET 18 1HB MET 18 -9.986 -4.558 -13.560 150 1HG MET 18 2HG MET 18 -9.488 -4.209 -16.491 151 2HG MET 18 1HG MET 18 -8.131 -4.289 -15.419 152 1HE MET 18 2HE MET 18 -10.770 -5.840 -17.296 153 2HE MET 18 1HE MET 18 -10.566 -7.566 -17.135 154 3HE MET 18 3HE MET 18 -11.545 -6.691 -15.948 155 H LYS 19 H LYS 19 -13.014 -5.267 -14.293 156 HA LYS 19 HA LYS 19 -14.752 -3.874 -12.521 157 1HB LYS 19 2HB LYS 19 -14.212 -6.859 -12.772 158 2HB LYS 19 1HB LYS 19 -15.575 -6.165 -11.912 159 1HG LYS 19 2HG LYS 19 -16.204 -4.974 -14.102 160 2HG LYS 19 1HG LYS 19 -14.970 -5.947 -14.886 161 1HD LYS 19 2HD LYS 19 -16.180 -8.011 -13.883 162 2HD LYS 19 1HD LYS 19 -17.487 -6.914 -13.475 163 1HE LYS 19 2HE LYS 19 -17.978 -7.953 -15.636 164 2HE LYS 19 1HE LYS 19 -17.631 -6.253 -15.910 165 1HZ LYS 19 3HZ LYS 19 -15.637 -8.427 -16.179 166 2HZ LYS 19 2HZ LYS 19 -16.517 -7.762 -17.472 167 3HZ LYS 19 1HZ LYS 19 -15.432 -6.793 -16.594 168 H CYS 20 H CYS 20 -11.912 -5.841 -11.889 169 HA CYS 20 HA CYS 20 -12.079 -6.166 -9.119 170 1HB CYS 20 2HB CYS 20 -9.871 -6.816 -9.212 171 2HB CYS 20 1HB CYS 20 -10.277 -6.948 -10.898 172 H CYS 21 H CYS 21 -10.991 -3.407 -10.959 173 HA CYS 21 HA CYS 21 -10.198 -1.863 -8.592 174 1HB CYS 21 2HB CYS 21 -10.337 -1.270 -11.550 175 2HB CYS 21 1HB CYS 21 -9.896 -0.056 -10.377 176 H ALA 22 H ALA 22 -12.659 -1.590 -11.132 177 HA ALA 22 HA ALA 22 -14.048 0.642 -10.144 178 1HB ALA 22 1HB ALA 22 -14.391 -0.364 -12.389 179 2HB ALA 22 3HB ALA 22 -15.186 -1.744 -11.646 180 3HB ALA 22 2HB ALA 22 -15.918 -0.150 -11.548 No H/Q in entry = 180 Start of MODEL 7 1 1H ARG 1 3H ARG 1 -2.172 -6.883 -14.308 2 2H ARG 1 2H ARG 1 -0.996 -7.619 -15.284 3 3H ARG 1 1H ARG 1 -1.856 -8.544 -14.148 4 HA ARG 1 HA ARG 1 -0.694 -7.745 -12.371 5 1HB ARG 1 2HB ARG 1 1.443 -7.252 -14.487 6 2HB ARG 1 1HB ARG 1 1.632 -7.968 -12.897 7 1HG ARG 1 2HG ARG 1 -0.051 -9.809 -13.938 8 2HG ARG 1 1HG ARG 1 0.579 -9.186 -15.448 9 1HD ARG 1 2HD ARG 1 2.347 -10.597 -15.182 10 2HD ARG 1 1HD ARG 1 2.895 -9.590 -13.853 11 HE ARG 1 HE ARG 1 1.942 -11.140 -12.307 12 1HH1 ARG 1 1HH1 ARG 1 -0.605 -11.808 -13.496 13 2HH1 ARG 1 2HH1 ARG 1 -0.386 -13.423 -14.087 14 1HH2 ARG 1 1HH2 ARG 1 3.109 -13.210 -13.962 15 2HH2 ARG 1 2HH2 ARG 1 1.770 -14.235 -14.358 16 H ASP 2 H ASP 2 -0.087 -5.954 -11.203 17 HA ASP 2 HA ASP 2 0.270 -3.760 -10.610 18 1HB ASP 2 2HB ASP 2 2.002 -3.873 -12.544 19 2HB ASP 2 1HB ASP 2 0.790 -3.167 -13.595 20 H CYS 3 H CYS 3 -2.090 -4.444 -10.548 21 HA CYS 3 HA CYS 3 -3.688 -2.133 -11.419 22 1HB CYS 3 2HB CYS 3 -4.165 -4.960 -12.397 23 2HB CYS 3 1HB CYS 3 -5.493 -3.836 -12.261 24 H CYS 4 H CYS 4 -4.510 -5.401 -10.433 25 HA CYS 4 HA CYS 4 -6.003 -4.375 -8.100 26 1HB CYS 4 2HB CYS 4 -5.880 -7.243 -8.980 27 2HB CYS 4 1HB CYS 4 -7.179 -6.387 -8.190 28 H THR 5 H THR 5 -2.982 -5.320 -8.839 29 HA THR 5 HA THR 5 -2.127 -7.155 -6.888 30 HB THR 5 HB THR 5 -0.475 -4.843 -8.056 31 HG1 THR 5 HG1 THR 5 -1.331 -7.368 -9.014 32 1HG2 THR 5 1HG2 THR 5 0.210 -7.714 -7.192 33 2HG2 THR 5 3HG2 THR 5 1.343 -6.570 -7.899 34 3HG2 THR 5 2HG2 THR 5 0.686 -6.274 -6.300 35 HA HYP 6 HA HYP 6 -3.099 -4.359 -3.487 36 1HB HYP 6 1HB HYP 6 -3.756 -5.800 -1.885 37 2HB HYP 6 2HB HYP 6 -2.092 -6.231 -1.527 38 1HD HYP 6 1HD1 HYP 6 -3.277 -7.657 -5.206 39 2HD HYP 6 2HD1 HYP 6 -1.604 -7.878 -4.674 40 HOD HYP 6 HD2 HYP 6 -4.555 -8.568 -3.479 41 HG HYP 6 HG HYP 6 -2.533 -8.321 -2.530 42 HA HYP 7 HA HYP 7 -2.907 -2.719 -2.136 43 1HB HYP 7 1HB HYP 7 -2.196 -0.873 -1.034 44 2HB HYP 7 2HB HYP 7 -1.666 -0.149 -2.542 45 1HD HYP 7 1HD1 HYP 7 0.822 -3.253 -1.461 46 2HD HYP 7 2HD1 HYP 7 0.991 -2.443 -3.022 47 HOD HYP 7 HD2 HYP 7 -0.717 -2.227 0.040 48 HG HYP 7 HG HYP 7 0.563 -0.470 -1.792 49 H ARG 8 H ARG 8 -4.371 -2.429 -3.665 50 HA ARG 8 HA ARG 8 -4.131 -2.713 -6.356 51 1HB ARG 8 2HB ARG 8 -6.094 -1.171 -4.660 52 2HB ARG 8 1HB ARG 8 -6.240 -1.073 -6.396 53 1HG ARG 8 2HG ARG 8 -5.957 -3.823 -5.978 54 2HG ARG 8 1HG ARG 8 -6.875 -3.312 -4.578 55 1HD ARG 8 2HD ARG 8 -8.406 -2.024 -6.255 56 2HD ARG 8 1HD ARG 8 -7.623 -2.978 -7.508 57 HE ARG 8 HE ARG 8 -8.771 -4.889 -6.724 58 1HH1 ARG 8 1HH2 ARG 8 -8.382 -5.340 -4.069 59 2HH1 ARG 8 2HH2 ARG 8 -9.783 -4.760 -3.229 60 1HH2 ARG 8 2HH1 ARG 8 -10.816 -2.762 -5.915 61 2HH2 ARG 8 1HH1 ARG 8 -11.194 -3.262 -4.299 62 H LYS 9 H LYS 9 -3.246 -1.694 -7.966 63 HA LYS 9 HA LYS 9 -2.103 0.976 -7.638 64 1HB LYS 9 2HB LYS 9 -1.095 -1.045 -8.965 65 2HB LYS 9 1HB LYS 9 -2.233 -0.639 -10.224 66 1HG LYS 9 2HG LYS 9 -0.300 0.587 -10.855 67 2HG LYS 9 1HG LYS 9 -1.299 1.786 -10.075 68 1HD LYS 9 2HD LYS 9 0.999 1.991 -9.254 69 2HD LYS 9 1HD LYS 9 -0.025 1.466 -7.941 70 1HE LYS 9 2HE LYS 9 1.079 -0.832 -9.424 71 2HE LYS 9 1HE LYS 9 2.339 0.215 -8.797 72 1HZ LYS 9 2HZ LYS 9 0.097 -0.657 -7.069 73 2HZ LYS 9 1HZ LYS 9 1.451 -1.634 -7.339 74 3HZ LYS 9 3HZ LYS 9 1.638 -0.101 -6.637 75 H CYS 10 H CYS 10 -4.206 -0.454 -10.072 76 HA CYS 10 HA CYS 10 -5.889 0.390 -11.396 77 1HB CYS 10 2HB CYS 10 -6.472 1.920 -8.851 78 2HB CYS 10 1HB CYS 10 -7.587 1.730 -10.174 79 H LYS 11 H LYS 11 -3.332 2.175 -11.018 80 HA LYS 11 HA LYS 11 -4.304 4.834 -11.759 81 1HB LYS 11 2HB LYS 11 -1.556 3.558 -11.543 82 2HB LYS 11 1HB LYS 11 -1.745 5.179 -12.176 83 1HG LYS 11 2HG LYS 11 -3.034 4.471 -9.527 84 2HG LYS 11 1HG LYS 11 -1.317 4.806 -9.583 85 1HD LYS 11 2HD LYS 11 -1.662 7.024 -10.458 86 2HD LYS 11 1HD LYS 11 -3.357 6.715 -10.794 87 1HE LYS 11 2HE LYS 11 -3.723 6.403 -8.298 88 2HE LYS 11 1HE LYS 11 -2.058 6.914 -8.047 89 1HZ LYS 11 3HZ LYS 11 -3.720 8.626 -9.707 90 2HZ LYS 11 2HZ LYS 11 -4.080 8.580 -8.049 91 3HZ LYS 11 1HZ LYS 11 -2.527 9.030 -8.568 92 H ASP 12 H ASP 12 -3.074 2.010 -13.339 93 HA ASP 12 HA ASP 12 -2.591 3.138 -15.928 94 1HB ASP 12 2HB ASP 12 -3.332 0.240 -15.461 95 2HB ASP 12 1HB ASP 12 -2.231 0.902 -16.632 96 H ARG 13 H ARG 13 -3.805 3.241 -17.714 97 HA ARG 13 HA ARG 13 -6.644 3.558 -17.478 98 1HB ARG 13 2HB ARG 13 -6.595 3.897 -19.919 99 2HB ARG 13 1HB ARG 13 -5.242 4.729 -19.183 100 1HG ARG 13 2HG ARG 13 -3.734 2.830 -19.800 101 2HG ARG 13 1HG ARG 13 -5.090 1.988 -20.528 102 1HD ARG 13 2HD ARG 13 -4.514 3.023 -22.467 103 2HD ARG 13 1HD ARG 13 -5.207 4.489 -21.785 104 HE ARG 13 HE ARG 13 -2.604 4.395 -20.782 105 1HH1 ARG 13 2HH1 ARG 13 -1.787 3.075 -23.243 106 2HH1 ARG 13 1HH1 ARG 13 -1.522 4.385 -24.346 107 1HH2 ARG 13 1HH2 ARG 13 -3.334 6.658 -22.389 108 2HH2 ARG 13 2HH2 ARG 13 -2.422 6.468 -23.849 109 H ARG 14 H ARG 14 -4.697 0.838 -17.866 110 HA ARG 14 HA ARG 14 -6.599 -0.874 -19.218 111 1HB ARG 14 2HB ARG 14 -3.992 -1.465 -17.765 112 2HB ARG 14 1HB ARG 14 -4.913 -2.670 -18.646 113 1HG ARG 14 2HG ARG 14 -4.696 -1.194 -20.709 114 2HG ARG 14 1HG ARG 14 -3.585 -0.186 -19.794 115 1HD ARG 14 2HD ARG 14 -3.191 -3.184 -20.232 116 2HD ARG 14 1HD ARG 14 -2.410 -1.921 -21.183 117 HE ARG 14 HE ARG 14 -1.962 -1.495 -18.358 118 1HH1 ARG 14 2HH1 ARG 14 -0.373 -1.888 -21.182 119 2HH1 ARG 14 1HH1 ARG 14 0.920 -2.868 -20.581 120 1HH2 ARG 14 1HH2 ARG 14 -0.627 -3.410 -17.490 121 2HH2 ARG 14 2HH2 ARG 14 0.767 -3.745 -18.454 122 H CYS 15 H CYS 15 -5.561 -0.203 -15.966 123 HA CYS 15 HA CYS 15 -6.938 -2.411 -14.708 124 1HB CYS 15 2HB CYS 15 -5.976 0.125 -13.445 125 2HB CYS 15 1HB CYS 15 -6.215 -1.427 -12.678 126 H LYS 16 H LYS 16 -7.676 1.040 -14.909 127 HA LYS 16 HA LYS 16 -9.902 1.171 -13.232 128 1HB LYS 16 2HB LYS 16 -8.968 3.141 -14.166 129 2HB LYS 16 1HB LYS 16 -9.285 2.665 -15.804 130 1HG LYS 16 2HG LYS 16 -11.875 2.648 -14.657 131 2HG LYS 16 1HG LYS 16 -11.075 3.920 -13.770 132 1HD LYS 16 2HD LYS 16 -12.172 4.902 -15.681 133 2HD LYS 16 1HD LYS 16 -10.451 4.966 -15.999 134 1HE LYS 16 2HE LYS 16 -11.881 2.490 -16.972 135 2HE LYS 16 1HE LYS 16 -12.293 3.990 -17.779 136 1HZ LYS 16 1HZ LYS 16 -9.464 3.515 -17.358 137 2HZ LYS 16 3HZ LYS 16 -10.249 2.500 -18.463 138 3HZ LYS 16 2HZ LYS 16 -10.281 4.182 -18.687 139 HA HYP 17 HA HYP 17 -12.946 -0.053 -16.774 140 1HB HYP 17 1HB HYP 17 -12.323 -0.266 -18.974 141 2HB HYP 17 2HB HYP 17 -11.761 -1.890 -18.635 142 1HD HYP 17 1HD1 HYP 17 -9.486 1.207 -17.154 143 2HD HYP 17 2HD1 HYP 17 -8.932 -0.400 -16.740 144 HOD HYP 17 HD2 HYP 17 -10.966 1.310 -19.077 145 HG HYP 17 HG HYP 17 -9.595 -1.156 -18.875 146 H MET 18 H MET 18 -10.362 -2.200 -15.881 147 HA MET 18 HA MET 18 -11.885 -4.635 -15.683 148 1HB MET 18 2HB MET 18 -9.332 -3.761 -14.215 149 2HB MET 18 1HB MET 18 -10.039 -5.346 -14.029 150 1HG MET 18 2HG MET 18 -10.012 -5.387 -16.650 151 2HG MET 18 1HG MET 18 -8.827 -4.133 -16.477 152 1HE MET 18 1HE MET 18 -6.485 -4.423 -16.182 153 2HE MET 18 3HE MET 18 -6.702 -4.759 -14.446 154 3HE MET 18 2HE MET 18 -5.684 -5.793 -15.440 155 H LYS 19 H LYS 19 -13.146 -5.413 -14.191 156 HA LYS 19 HA LYS 19 -14.723 -3.942 -12.503 157 1HB LYS 19 2HB LYS 19 -14.936 -6.386 -13.239 158 2HB LYS 19 1HB LYS 19 -13.924 -6.794 -11.868 159 1HG LYS 19 2HG LYS 19 -15.708 -5.370 -10.494 160 2HG LYS 19 1HG LYS 19 -16.726 -5.613 -11.898 161 1HD LYS 19 2HD LYS 19 -15.357 -7.897 -10.409 162 2HD LYS 19 1HD LYS 19 -16.969 -7.337 -10.018 163 1HE LYS 19 2HE LYS 19 -17.429 -9.094 -11.513 164 2HE LYS 19 1HE LYS 19 -17.464 -7.708 -12.590 165 1HZ LYS 19 2HZ LYS 19 -14.833 -8.762 -12.272 166 2HZ LYS 19 1HZ LYS 19 -15.925 -9.926 -12.851 167 3HZ LYS 19 3HZ LYS 19 -15.719 -8.461 -13.686 168 H CYS 20 H CYS 20 -11.692 -5.460 -11.468 169 HA CYS 20 HA CYS 20 -11.963 -5.052 -8.706 170 1HB CYS 20 2HB CYS 20 -9.782 -5.724 -8.533 171 2HB CYS 20 1HB CYS 20 -10.177 -6.335 -10.111 172 H CYS 21 H CYS 21 -11.550 -2.596 -11.028 173 HA CYS 21 HA CYS 21 -10.782 -0.647 -8.893 174 1HB CYS 21 2HB CYS 21 -10.012 -0.587 -11.812 175 2HB CYS 21 1HB CYS 21 -9.613 0.633 -10.631 176 H ALA 22 H ALA 22 -12.380 -1.120 -11.998 177 HA ALA 22 HA ALA 22 -14.129 -0.020 -13.063 178 1HB ALA 22 2HB ALA 22 -15.243 -1.127 -11.092 179 2HB ALA 22 1HB ALA 22 -15.089 0.368 -10.187 180 3HB ALA 22 3HB ALA 22 -16.090 0.315 -11.629 No H/Q in entry = 180 Start of MODEL 8 1 1H ARG 1 1H ARG 1 1.735 -8.306 -10.441 2 2H ARG 1 3H ARG 1 2.489 -7.634 -9.071 3 3H ARG 1 2H ARG 1 0.909 -7.168 -9.486 4 HA ARG 1 HA ARG 1 2.321 -5.425 -10.120 5 1HB ARG 1 2HB ARG 1 3.966 -7.755 -11.089 6 2HB ARG 1 1HB ARG 1 4.049 -6.344 -12.114 7 1HG ARG 1 2HG ARG 1 4.511 -6.235 -9.102 8 2HG ARG 1 1HG ARG 1 5.803 -6.469 -10.260 9 1HD ARG 1 2HD ARG 1 3.963 -4.032 -10.121 10 2HD ARG 1 1HD ARG 1 5.667 -4.081 -9.703 11 HE ARG 1 HE ARG 1 4.543 -4.140 -12.436 12 1HH1 ARG 1 1HH1 ARG 1 6.670 -6.086 -12.563 13 2HH1 ARG 1 2HH1 ARG 1 8.097 -5.135 -12.809 14 1HH2 ARG 1 1HH2 ARG 1 6.571 -2.168 -11.764 15 2HH2 ARG 1 2HH2 ARG 1 8.041 -2.874 -12.348 16 H ASP 2 H ASP 2 -0.098 -6.294 -10.693 17 HA ASP 2 HA ASP 2 -0.432 -6.099 -13.659 18 1HB ASP 2 2HB ASP 2 -2.662 -6.960 -11.798 19 2HB ASP 2 1HB ASP 2 -2.388 -7.397 -13.472 20 H CYS 3 H CYS 3 -1.693 -5.108 -10.571 21 HA CYS 3 HA CYS 3 -1.888 -2.460 -10.510 22 1HB CYS 3 2HB CYS 3 -4.017 -3.415 -12.447 23 2HB CYS 3 1HB CYS 3 -4.397 -2.103 -11.374 24 H CYS 4 H CYS 4 -4.229 -5.114 -10.553 25 HA CYS 4 HA CYS 4 -5.576 -4.156 -8.150 26 1HB CYS 4 2HB CYS 4 -5.758 -6.790 -9.631 27 2HB CYS 4 1HB CYS 4 -6.828 -6.282 -8.356 28 H THR 5 H THR 5 -2.669 -5.541 -8.577 29 HA THR 5 HA THR 5 -2.542 -7.614 -6.611 30 HB THR 5 HB THR 5 -0.006 -6.042 -6.972 31 HG1 THR 5 HG1 THR 5 -0.911 -7.294 -9.287 32 1HG2 THR 5 1HG2 THR 5 -0.288 -8.572 -6.327 33 2HG2 THR 5 3HG2 THR 5 -0.703 -8.831 -8.017 34 3HG2 THR 5 2HG2 THR 5 0.879 -8.199 -7.583 35 HA HYP 6 HA HYP 6 -3.511 -4.638 -3.428 36 1HB HYP 6 1HB HYP 6 -4.400 -5.873 -1.746 37 2HB HYP 6 2HB HYP 6 -2.846 -6.568 -1.326 38 1HD HYP 6 1HD1 HYP 6 -3.901 -7.877 -5.055 39 2HD HYP 6 2HD1 HYP 6 -2.375 -8.364 -4.303 40 HOD HYP 6 HD2 HYP 6 -5.752 -7.798 -2.371 41 HG HYP 6 HG HYP 6 -3.674 -8.563 -2.304 42 HA HYP 7 HA HYP 7 -3.421 -3.010 -2.039 43 1HB HYP 7 1HB HYP 7 -2.739 -1.222 -0.824 44 2HB HYP 7 2HB HYP 7 -2.058 -0.495 -2.270 45 1HD HYP 7 1HD1 HYP 7 0.166 -3.699 -0.913 46 2HD HYP 7 2HD1 HYP 7 0.573 -2.951 -2.461 47 HOD HYP 7 HD2 HYP 7 0.093 -1.648 0.652 48 HG HYP 7 HG HYP 7 0.097 -0.913 -1.373 49 H ARG 8 H ARG 8 -4.704 -2.212 -3.645 50 HA ARG 8 HA ARG 8 -4.088 -2.615 -6.334 51 1HB ARG 8 2HB ARG 8 -6.177 -0.815 -5.060 52 2HB ARG 8 1HB ARG 8 -6.152 -1.223 -6.764 53 1HG ARG 8 2HG ARG 8 -6.138 -3.712 -5.995 54 2HG ARG 8 1HG ARG 8 -6.561 -3.091 -4.409 55 1HD ARG 8 2HD ARG 8 -8.572 -1.985 -5.362 56 2HD ARG 8 1HD ARG 8 -8.141 -2.572 -6.966 57 HE ARG 8 HE ARG 8 -8.499 -4.874 -6.147 58 1HH1 ARG 8 2HH1 ARG 8 -8.476 -5.282 -3.516 59 2HH1 ARG 8 1HH1 ARG 8 -10.045 -4.915 -2.881 60 1HH2 ARG 8 1HH2 ARG 8 -10.977 -3.070 -5.715 61 2HH2 ARG 8 2HH2 ARG 8 -11.504 -3.632 -4.163 62 H LYS 9 H LYS 9 -4.157 -1.054 -8.094 63 HA LYS 9 HA LYS 9 -2.683 1.480 -7.519 64 1HB LYS 9 2HB LYS 9 -1.277 -0.404 -8.510 65 2HB LYS 9 1HB LYS 9 -2.310 -0.354 -9.920 66 1HG LYS 9 2HG LYS 9 -1.652 2.292 -9.770 67 2HG LYS 9 1HG LYS 9 -0.242 1.607 -8.987 68 1HD LYS 9 2HD LYS 9 -0.260 -0.048 -11.084 69 2HD LYS 9 1HD LYS 9 -1.243 1.206 -11.818 70 1HE LYS 9 2HE LYS 9 0.539 2.869 -11.434 71 2HE LYS 9 1HE LYS 9 1.495 1.682 -10.561 72 1HZ LYS 9 1HZ LYS 9 0.672 1.348 -13.379 73 2HZ LYS 9 3HZ LYS 9 2.147 2.026 -12.896 74 3HZ LYS 9 2HZ LYS 9 1.785 0.414 -12.505 75 H CYS 10 H CYS 10 -4.336 -0.181 -10.156 76 HA CYS 10 HA CYS 10 -5.814 0.541 -11.789 77 1HB CYS 10 2HB CYS 10 -6.871 2.241 -9.524 78 2HB CYS 10 1HB CYS 10 -7.775 1.701 -10.912 79 H LYS 11 H LYS 11 -3.358 2.163 -11.437 80 HA LYS 11 HA LYS 11 -4.102 4.919 -12.066 81 1HB LYS 11 2HB LYS 11 -1.974 4.156 -10.854 82 2HB LYS 11 1HB LYS 11 -1.373 3.623 -12.414 83 1HG LYS 11 2HG LYS 11 -1.571 5.913 -13.313 84 2HG LYS 11 1HG LYS 11 -2.297 6.474 -11.820 85 1HD LYS 11 2HD LYS 11 0.453 5.169 -11.828 86 2HD LYS 11 1HD LYS 11 0.265 6.872 -12.189 87 1HE LYS 11 2HE LYS 11 -0.818 7.271 -10.011 88 2HE LYS 11 1HE LYS 11 -0.754 5.557 -9.631 89 1HZ LYS 11 2HZ LYS 11 1.771 5.934 -10.141 90 2HZ LYS 11 1HZ LYS 11 1.389 7.526 -9.692 91 3HZ LYS 11 3HZ LYS 11 1.108 6.247 -8.609 92 H ASP 12 H ASP 12 -2.960 2.103 -13.824 93 HA ASP 12 HA ASP 12 -2.595 3.368 -16.362 94 1HB ASP 12 2HB ASP 12 -2.978 0.524 -15.423 95 2HB ASP 12 1HB ASP 12 -2.936 0.864 -17.143 96 H ARG 13 H ARG 13 -3.850 3.311 -18.203 97 HA ARG 13 HA ARG 13 -6.624 3.908 -17.850 98 1HB ARG 13 2HB ARG 13 -4.997 4.626 -19.756 99 2HB ARG 13 1HB ARG 13 -5.346 3.067 -20.475 100 1HG ARG 13 2HG ARG 13 -7.870 3.743 -20.210 101 2HG ARG 13 1HG ARG 13 -7.261 5.366 -19.937 102 1HD ARG 13 2HD ARG 13 -7.666 5.253 -22.296 103 2HD ARG 13 1HD ARG 13 -5.924 5.054 -22.147 104 HE ARG 13 HE ARG 13 -6.302 2.581 -22.367 105 1HH1 ARG 13 1HH2 ARG 13 -9.095 2.139 -22.056 106 2HH1 ARG 13 2HH2 ARG 13 -9.738 2.221 -23.660 107 1HH2 ARG 13 2HH1 ARG 13 -6.936 3.867 -24.951 108 2HH2 ARG 13 1HH1 ARG 13 -8.497 3.220 -25.335 109 H ARG 14 H ARG 14 -4.944 1.089 -19.176 110 HA ARG 14 HA ARG 14 -7.268 -0.444 -19.739 111 1HB ARG 14 2HB ARG 14 -4.335 -0.848 -19.691 112 2HB ARG 14 1HB ARG 14 -5.200 -2.297 -19.240 113 1HG ARG 14 2HG ARG 14 -4.918 -2.341 -21.640 114 2HG ARG 14 1HG ARG 14 -6.616 -2.072 -21.313 115 1HD ARG 14 2HD ARG 14 -5.964 -0.525 -23.070 116 2HD ARG 14 1HD ARG 14 -6.165 0.452 -21.621 117 HE ARG 14 HE ARG 14 -3.451 -0.395 -21.733 118 1HH1 ARG 14 2HH1 ARG 14 -4.046 0.216 -24.629 119 2HH1 ARG 14 1HH1 ARG 14 -3.621 1.893 -24.732 120 1HH2 ARG 14 1HH2 ARG 14 -3.644 2.307 -21.249 121 2HH2 ARG 14 2HH2 ARG 14 -3.389 3.110 -22.764 122 H CYS 15 H CYS 15 -5.777 0.319 -16.793 123 HA CYS 15 HA CYS 15 -6.892 -1.984 -15.311 124 1HB CYS 15 2HB CYS 15 -5.137 0.350 -14.531 125 2HB CYS 15 1HB CYS 15 -5.724 -0.842 -13.411 126 H LYS 16 H LYS 16 -8.136 0.857 -16.389 127 HA LYS 16 HA LYS 16 -9.506 1.737 -13.982 128 1HB LYS 16 2HB LYS 16 -8.959 2.873 -16.506 129 2HB LYS 16 1HB LYS 16 -10.690 2.643 -16.546 130 1HG LYS 16 2HG LYS 16 -10.547 4.736 -15.571 131 2HG LYS 16 1HG LYS 16 -10.624 3.737 -14.135 132 1HD LYS 16 2HD LYS 16 -8.239 3.874 -13.788 133 2HD LYS 16 1HD LYS 16 -7.957 4.538 -15.387 134 1HE LYS 16 2HE LYS 16 -9.562 5.958 -13.222 135 2HE LYS 16 1HE LYS 16 -7.871 6.281 -13.577 136 1HZ LYS 16 1HZ LYS 16 -8.917 6.501 -15.999 137 2HZ LYS 16 3HZ LYS 16 -10.248 6.994 -15.068 138 3HZ LYS 16 2HZ LYS 16 -8.764 7.805 -14.923 139 HA HYP 17 HA HYP 17 -13.325 -0.250 -16.045 140 1HB HYP 17 1HB HYP 17 -13.415 -0.601 -18.313 141 2HB HYP 17 2HB HYP 17 -12.734 -2.195 -18.051 142 1HD HYP 17 1HD1 HYP 17 -9.967 0.849 -17.618 143 2HD HYP 17 2HD1 HYP 17 -9.540 -0.810 -17.188 144 HOD HYP 17 HD2 HYP 17 -10.945 0.511 -20.014 145 HG HYP 17 HG HYP 17 -10.804 -1.442 -19.111 146 H MET 18 H MET 18 -10.466 -1.962 -15.451 147 HA MET 18 HA MET 18 -11.118 -4.605 -15.011 148 1HB MET 18 2HB MET 18 -9.301 -2.701 -13.508 149 2HB MET 18 1HB MET 18 -9.459 -4.357 -12.956 150 1HG MET 18 2HG MET 18 -8.922 -5.094 -15.322 151 2HG MET 18 1HG MET 18 -8.566 -3.432 -15.688 152 1HE MET 18 3HE MET 18 -7.726 -6.268 -13.124 153 2HE MET 18 2HE MET 18 -7.200 -6.769 -14.749 154 3HE MET 18 1HE MET 18 -6.022 -6.471 -13.483 155 H LYS 19 H LYS 19 -12.206 -5.793 -13.609 156 HA LYS 19 HA LYS 19 -14.417 -4.883 -12.200 157 1HB LYS 19 2HB LYS 19 -14.372 -7.118 -11.050 158 2HB LYS 19 1HB LYS 19 -14.174 -7.205 -12.782 159 1HG LYS 19 2HG LYS 19 -12.366 -8.509 -12.376 160 2HG LYS 19 1HG LYS 19 -11.519 -7.037 -11.991 161 1HD LYS 19 2HD LYS 19 -11.112 -8.047 -9.981 162 2HD LYS 19 1HD LYS 19 -12.722 -7.514 -9.560 163 1HE LYS 19 2HE LYS 19 -12.074 -10.230 -10.791 164 2HE LYS 19 1HE LYS 19 -12.403 -9.943 -9.089 165 1HZ LYS 19 1HZ LYS 19 -14.289 -9.299 -11.276 166 2HZ LYS 19 3HZ LYS 19 -14.335 -10.724 -10.354 167 3HZ LYS 19 2HZ LYS 19 -14.590 -9.220 -9.607 168 H CYS 20 H CYS 20 -11.211 -5.542 -10.787 169 HA CYS 20 HA CYS 20 -11.932 -4.977 -8.105 170 1HB CYS 20 2HB CYS 20 -9.700 -5.239 -7.633 171 2HB CYS 20 1HB CYS 20 -9.756 -6.015 -9.183 172 H CYS 21 H CYS 21 -10.951 -2.998 -10.760 173 HA CYS 21 HA CYS 21 -11.033 -0.489 -9.147 174 1HB CYS 21 2HB CYS 21 -10.220 -0.823 -12.034 175 2HB CYS 21 1HB CYS 21 -9.882 0.530 -10.990 176 H ALA 22 H ALA 22 -13.286 -2.189 -10.040 177 HA ALA 22 HA ALA 22 -15.502 -1.871 -10.609 178 1HB ALA 22 3HB ALA 22 -14.913 0.625 -9.847 179 2HB ALA 22 2HB ALA 22 -14.996 0.984 -11.563 180 3HB ALA 22 1HB ALA 22 -16.391 0.319 -10.738 No H/Q in entry = 180 Start of MODEL 9 1 1H ARG 1 3H ARG 1 -1.910 -9.400 -12.271 2 2H ARG 1 2H ARG 1 -0.880 -10.575 -11.607 3 3H ARG 1 1H ARG 1 -2.562 -10.806 -11.575 4 HA ARG 1 HA ARG 1 -2.877 -9.047 -10.053 5 1HB ARG 1 2HB ARG 1 -1.062 -11.309 -9.490 6 2HB ARG 1 1HB ARG 1 -0.729 -9.970 -8.413 7 1HG ARG 1 2HG ARG 1 -3.118 -9.880 -7.748 8 2HG ARG 1 1HG ARG 1 -3.483 -11.198 -8.849 9 1HD ARG 1 2HD ARG 1 -3.195 -12.054 -6.533 10 2HD ARG 1 1HD ARG 1 -1.924 -12.688 -7.575 11 HE ARG 1 HE ARG 1 -1.310 -10.192 -6.114 12 1HH1 ARG 1 1HH2 ARG 1 0.973 -11.540 -7.036 13 2HH1 ARG 1 2HH2 ARG 1 1.467 -12.570 -5.733 14 1HH2 ARG 1 1HH1 ARG 1 -1.652 -12.379 -4.143 15 2HH2 ARG 1 2HH1 ARG 1 -0.061 -13.059 -4.049 16 H ASP 2 H ASP 2 -2.441 -7.009 -10.505 17 HA ASP 2 HA ASP 2 0.010 -5.775 -9.588 18 1HB ASP 2 2HB ASP 2 -0.313 -6.387 -12.485 19 2HB ASP 2 1HB ASP 2 0.042 -4.699 -12.173 20 H CYS 3 H CYS 3 -2.453 -5.145 -12.014 21 HA CYS 3 HA CYS 3 -2.982 -2.456 -11.479 22 1HB CYS 3 2HB CYS 3 -4.526 -4.710 -12.663 23 2HB CYS 3 1HB CYS 3 -5.426 -3.275 -12.275 24 H CYS 4 H CYS 4 -4.315 -5.284 -9.959 25 HA CYS 4 HA CYS 4 -5.627 -3.544 -7.921 26 1HB CYS 4 2HB CYS 4 -6.588 -5.921 -9.426 27 2HB CYS 4 1HB CYS 4 -7.125 -5.771 -7.786 28 H THR 5 H THR 5 -3.091 -5.597 -8.269 29 HA THR 5 HA THR 5 -3.495 -7.246 -5.940 30 HB THR 5 HB THR 5 -1.772 -7.647 -7.866 31 HG1 THR 5 HG1 THR 5 -0.799 -8.892 -6.417 32 1HG2 THR 5 3HG2 THR 5 -0.515 -5.358 -7.454 33 2HG2 THR 5 2HG2 THR 5 0.059 -6.089 -5.965 34 3HG2 THR 5 1HG2 THR 5 0.483 -6.804 -7.510 35 HA HYP 6 HA HYP 6 -3.155 -3.843 -3.107 36 1HB HYP 6 1HB HYP 6 -3.729 -4.699 -1.079 37 2HB HYP 6 2HB HYP 6 -2.276 -5.683 -0.979 38 1HD HYP 6 1HD1 HYP 6 -4.374 -7.126 -4.140 39 2HD HYP 6 2HD1 HYP 6 -2.804 -7.767 -3.618 40 HOD HYP 6 HD2 HYP 6 -5.471 -5.813 -1.325 41 HG HYP 6 HG HYP 6 -3.782 -7.491 -1.426 42 HA HYP 7 HA HYP 7 -2.475 -2.078 -2.243 43 1HB HYP 7 1HB HYP 7 -1.235 -0.335 -1.534 44 2HB HYP 7 2HB HYP 7 -0.897 0.083 -3.205 45 1HD HYP 7 1HD1 HYP 7 1.209 -3.255 -1.925 46 2HD HYP 7 2HD1 HYP 7 1.203 -2.810 -3.635 47 HOD HYP 7 HD2 HYP 7 1.790 -1.417 -0.757 48 HG HYP 7 HG HYP 7 1.363 -0.593 -2.828 49 H ARG 8 H ARG 8 -4.028 -1.757 -3.671 50 HA ARG 8 HA ARG 8 -4.082 -2.510 -6.327 51 1HB ARG 8 2HB ARG 8 -5.708 -0.503 -4.753 52 2HB ARG 8 1HB ARG 8 -6.083 -0.821 -6.428 53 1HG ARG 8 2HG ARG 8 -5.756 -3.368 -5.079 54 2HG ARG 8 1HG ARG 8 -6.765 -2.364 -4.068 55 1HD ARG 8 2HD ARG 8 -8.392 -2.037 -5.789 56 2HD ARG 8 1HD ARG 8 -7.306 -2.628 -7.037 57 HE ARG 8 HE ARG 8 -7.767 -4.854 -6.365 58 1HH1 ARG 8 1HH2 ARG 8 -7.614 -5.154 -3.579 59 2HH1 ARG 8 2HH2 ARG 8 -9.249 -5.125 -3.027 60 1HH2 ARG 8 2HH1 ARG 8 -10.496 -3.683 -5.947 61 2HH2 ARG 8 1HH1 ARG 8 -10.911 -4.289 -4.377 62 H LYS 9 H LYS 9 -3.014 -1.849 -8.013 63 HA LYS 9 HA LYS 9 -2.094 0.974 -8.259 64 1HB LYS 9 2HB LYS 9 -0.885 -1.589 -8.738 65 2HB LYS 9 1HB LYS 9 -1.048 -0.858 -10.310 66 1HG LYS 9 2HG LYS 9 0.974 0.039 -9.723 67 2HG LYS 9 1HG LYS 9 -0.043 1.295 -9.059 68 1HD LYS 9 2HD LYS 9 0.688 -1.097 -7.322 69 2HD LYS 9 1HD LYS 9 1.880 0.155 -7.592 70 1HE LYS 9 2HE LYS 9 0.361 1.864 -6.683 71 2HE LYS 9 1HE LYS 9 -0.911 0.664 -6.487 72 1HZ LYS 9 1HZ LYS 9 1.732 0.484 -5.185 73 2HZ LYS 9 3HZ LYS 9 0.342 1.123 -4.444 74 3HZ LYS 9 2HZ LYS 9 0.374 -0.507 -4.922 75 H CYS 10 H CYS 10 -4.664 0.803 -8.589 76 HA CYS 10 HA CYS 10 -5.530 0.324 -11.302 77 1HB CYS 10 2HB CYS 10 -6.824 1.711 -8.960 78 2HB CYS 10 1HB CYS 10 -7.650 1.336 -10.454 79 H LYS 11 H LYS 11 -3.396 2.390 -10.849 80 HA LYS 11 HA LYS 11 -4.574 4.941 -11.628 81 1HB LYS 11 2HB LYS 11 -2.097 5.585 -11.879 82 2HB LYS 11 1HB LYS 11 -2.617 5.084 -10.284 83 1HG LYS 11 2HG LYS 11 -1.542 2.969 -10.430 84 2HG LYS 11 1HG LYS 11 -1.462 3.019 -12.178 85 1HD LYS 11 2HD LYS 11 0.765 3.418 -11.353 86 2HD LYS 11 1HD LYS 11 0.179 4.935 -12.009 87 1HE LYS 11 2HE LYS 11 -0.380 5.723 -9.718 88 2HE LYS 11 1HE LYS 11 0.130 4.178 -9.049 89 1HZ LYS 11 3HZ LYS 11 2.327 4.688 -10.221 90 2HZ LYS 11 2HZ LYS 11 1.760 6.289 -10.283 91 3HZ LYS 11 1HZ LYS 11 1.960 5.516 -8.783 92 H ASP 12 H ASP 12 -3.355 2.179 -13.291 93 HA ASP 12 HA ASP 12 -2.750 3.511 -15.794 94 1HB ASP 12 2HB ASP 12 -3.330 0.565 -15.404 95 2HB ASP 12 1HB ASP 12 -2.414 1.323 -16.676 96 H ARG 13 H ARG 13 -3.911 3.568 -17.655 97 HA ARG 13 HA ARG 13 -6.775 3.708 -17.439 98 1HB ARG 13 2HB ARG 13 -5.126 4.910 -19.103 99 2HB ARG 13 1HB ARG 13 -5.281 3.461 -20.073 100 1HG ARG 13 2HG ARG 13 -7.919 3.907 -19.682 101 2HG ARG 13 1HG ARG 13 -7.367 5.539 -19.374 102 1HD ARG 13 2HD ARG 13 -7.887 5.399 -21.734 103 2HD ARG 13 1HD ARG 13 -6.131 5.429 -21.613 104 HE ARG 13 HE ARG 13 -6.246 2.891 -21.807 105 1HH1 ARG 13 2HH1 ARG 13 -8.865 2.022 -21.830 106 2HH1 ARG 13 1HH1 ARG 13 -9.411 2.171 -23.466 107 1HH2 ARG 13 1HH2 ARG 13 -6.864 4.385 -24.364 108 2HH2 ARG 13 2HH2 ARG 13 -8.264 3.537 -24.930 109 H ARG 14 H ARG 14 -4.720 1.115 -17.719 110 HA ARG 14 HA ARG 14 -6.490 -0.639 -19.237 111 1HB ARG 14 2HB ARG 14 -3.723 -0.905 -18.005 112 2HB ARG 14 1HB ARG 14 -4.595 -2.332 -18.525 113 1HG ARG 14 2HG ARG 14 -3.494 -1.872 -20.508 114 2HG ARG 14 1HG ARG 14 -4.936 -0.925 -20.787 115 1HD ARG 14 2HD ARG 14 -3.233 0.623 -21.287 116 2HD ARG 14 1HD ARG 14 -3.553 1.032 -19.610 117 HE ARG 14 HE ARG 14 -1.329 -0.790 -20.464 118 1HH1 ARG 14 1HH2 ARG 14 -1.114 -1.170 -17.843 119 2HH1 ARG 14 2HH2 ARG 14 -0.397 0.242 -17.137 120 1HH2 ARG 14 2HH1 ARG 14 -1.126 2.258 -19.897 121 2HH2 ARG 14 1HH1 ARG 14 -0.408 2.220 -18.318 122 H CYS 15 H CYS 15 -5.702 0.184 -15.994 123 HA CYS 15 HA CYS 15 -6.967 -2.179 -14.778 124 1HB CYS 15 2HB CYS 15 -6.118 0.367 -13.424 125 2HB CYS 15 1HB CYS 15 -6.310 -1.212 -12.722 126 H LYS 16 H LYS 16 -7.575 1.235 -15.209 127 HA LYS 16 HA LYS 16 -9.782 1.790 -13.718 128 1HB LYS 16 2HB LYS 16 -8.536 2.984 -15.910 129 2HB LYS 16 1HB LYS 16 -10.151 2.710 -16.514 130 1HG LYS 16 2HG LYS 16 -11.008 3.811 -14.334 131 2HG LYS 16 1HG LYS 16 -9.346 4.275 -14.039 132 1HD LYS 16 2HD LYS 16 -10.213 6.161 -15.168 133 2HD LYS 16 1HD LYS 16 -9.392 5.293 -16.447 134 1HE LYS 16 2HE LYS 16 -11.610 4.229 -17.072 135 2HE LYS 16 1HE LYS 16 -12.382 5.230 -15.849 136 1HZ LYS 16 3HZ LYS 16 -11.375 7.171 -17.032 137 2HZ LYS 16 2HZ LYS 16 -10.965 6.105 -18.290 138 3HZ LYS 16 1HZ LYS 16 -12.597 6.344 -17.878 139 HA HYP 17 HA HYP 17 -12.950 -0.037 -16.763 140 1HB HYP 17 1HB HYP 17 -12.424 -0.307 -18.989 141 2HB HYP 17 2HB HYP 17 -11.931 -1.946 -18.618 142 1HD HYP 17 1HD1 HYP 17 -9.231 0.927 -17.333 143 2HD HYP 17 2HD1 HYP 17 -9.044 -0.767 -16.876 144 HOD HYP 17 HD2 HYP 17 -9.418 1.015 -19.348 145 HG HYP 17 HG HYP 17 -9.742 -1.310 -19.048 146 H MET 18 H MET 18 -10.333 -2.137 -15.809 147 HA MET 18 HA MET 18 -11.715 -4.590 -15.522 148 1HB MET 18 2HB MET 18 -9.387 -3.456 -13.902 149 2HB MET 18 1HB MET 18 -10.003 -5.071 -13.665 150 1HG MET 18 2HG MET 18 -9.700 -4.979 -16.408 151 2HG MET 18 1HG MET 18 -8.388 -3.999 -15.841 152 1HE MET 18 3HE MET 18 -7.103 -4.934 -13.565 153 2HE MET 18 2HE MET 18 -6.173 -6.384 -13.873 154 3HE MET 18 1HE MET 18 -6.059 -5.035 -14.999 155 H LYS 19 H LYS 19 -13.111 -5.337 -14.240 156 HA LYS 19 HA LYS 19 -14.752 -3.828 -12.527 157 1HB LYS 19 2HB LYS 19 -15.740 -5.977 -11.869 158 2HB LYS 19 1HB LYS 19 -15.346 -6.014 -13.575 159 1HG LYS 19 2HG LYS 19 -13.076 -7.104 -12.824 160 2HG LYS 19 1HG LYS 19 -13.878 -7.359 -11.286 161 1HD LYS 19 2HD LYS 19 -14.441 -9.349 -12.312 162 2HD LYS 19 1HD LYS 19 -15.814 -8.387 -12.825 163 1HE LYS 19 2HE LYS 19 -14.616 -7.864 -14.968 164 2HE LYS 19 1HE LYS 19 -13.271 -8.869 -14.444 165 1HZ LYS 19 3HZ LYS 19 -16.035 -9.886 -14.622 166 2HZ LYS 19 2HZ LYS 19 -14.952 -9.944 -15.929 167 3HZ LYS 19 1HZ LYS 19 -14.593 -10.773 -14.489 168 H CYS 20 H CYS 20 -11.927 -5.717 -11.755 169 HA CYS 20 HA CYS 20 -12.030 -5.871 -8.967 170 1HB CYS 20 2HB CYS 20 -9.766 -6.409 -9.071 171 2HB CYS 20 1HB CYS 20 -10.364 -6.863 -10.644 172 H CYS 21 H CYS 21 -11.043 -3.201 -10.989 173 HA CYS 21 HA CYS 21 -10.260 -1.528 -8.686 174 1HB CYS 21 2HB CYS 21 -10.257 -1.095 -11.679 175 2HB CYS 21 1HB CYS 21 -9.801 0.141 -10.538 176 H ALA 22 H ALA 22 -12.639 -1.594 -11.272 177 HA ALA 22 HA ALA 22 -14.057 0.765 -10.722 178 1HB ALA 22 2HB ALA 22 -14.341 -0.882 -12.677 179 2HB ALA 22 1HB ALA 22 -15.392 -1.810 -11.623 180 3HB ALA 22 3HB ALA 22 -15.820 -0.165 -12.057 No H/Q in entry = 180 Start of MODEL 10 1 1H ARG 1 3H ARG 1 -0.138 -2.850 -15.925 2 2H ARG 1 2H ARG 1 -1.238 -3.606 -16.978 3 3H ARG 1 1H ARG 1 -1.790 -2.890 -15.538 4 HA ARG 1 HA ARG 1 -1.750 -5.237 -15.240 5 1HB ARG 1 2HB ARG 1 0.456 -6.454 -15.403 6 2HB ARG 1 1HB ARG 1 -0.102 -5.848 -16.948 7 1HG ARG 1 2HG ARG 1 1.492 -4.100 -17.012 8 2HG ARG 1 1HG ARG 1 1.769 -4.138 -15.281 9 1HD ARG 1 2HD ARG 1 2.795 -6.431 -15.539 10 2HD ARG 1 1HD ARG 1 2.648 -6.245 -17.289 11 HE ARG 1 HE ARG 1 3.973 -3.949 -16.246 12 1HH1 ARG 1 1HH2 ARG 1 5.337 -5.961 -14.598 13 2HH1 ARG 1 2HH2 ARG 1 6.632 -6.501 -15.614 14 1HH2 ARG 1 1HH1 ARG 1 5.153 -5.192 -18.513 15 2HH2 ARG 1 2HH1 ARG 1 6.524 -6.053 -17.896 16 H ASP 2 H ASP 2 -0.745 -6.327 -13.362 17 HA ASP 2 HA ASP 2 -0.393 -6.267 -11.064 18 1HB ASP 2 2HB ASP 2 1.948 -5.990 -12.221 19 2HB ASP 2 1HB ASP 2 1.872 -4.318 -11.695 20 H CYS 3 H CYS 3 -2.351 -4.531 -11.876 21 HA CYS 3 HA CYS 3 -1.998 -2.004 -10.350 22 1HB CYS 3 2HB CYS 3 -4.176 -3.014 -12.174 23 2HB CYS 3 1HB CYS 3 -4.264 -1.498 -11.327 24 H CYS 4 H CYS 4 -4.307 -4.693 -10.563 25 HA CYS 4 HA CYS 4 -5.584 -3.915 -8.060 26 1HB CYS 4 2HB CYS 4 -5.844 -6.346 -9.832 27 2HB CYS 4 1HB CYS 4 -6.806 -6.087 -8.405 28 H THR 5 H THR 5 -2.743 -5.518 -8.767 29 HA THR 5 HA THR 5 -2.732 -7.626 -6.852 30 HB THR 5 HB THR 5 -0.110 -7.207 -7.022 31 HG1 THR 5 HG1 THR 5 -0.630 -5.017 -7.759 32 1HG2 THR 5 3HG2 THR 5 -1.770 -7.657 -9.563 33 2HG2 THR 5 2HG2 THR 5 -0.108 -8.183 -9.315 34 3HG2 THR 5 1HG2 THR 5 -1.408 -8.918 -8.395 35 HA HYP 6 HA HYP 6 -3.445 -4.856 -3.564 36 1HB HYP 6 1HB HYP 6 -4.227 -6.255 -1.986 37 2HB HYP 6 2HB HYP 6 -2.596 -6.642 -1.463 38 1HD HYP 6 1HD1 HYP 6 -3.900 -7.947 -5.113 39 2HD HYP 6 2HD1 HYP 6 -2.237 -8.481 -4.822 40 HOD HYP 6 HD2 HYP 6 -5.220 -7.680 -3.390 41 HG HYP 6 HG HYP 6 -2.712 -8.731 -2.544 42 HA HYP 7 HA HYP 7 -3.430 -3.262 -2.162 43 1HB HYP 7 1HB HYP 7 -2.899 -1.424 -0.963 44 2HB HYP 7 2HB HYP 7 -2.233 -0.648 -2.391 45 1HD HYP 7 1HD1 HYP 7 0.240 -3.710 -1.175 46 2HD HYP 7 2HD1 HYP 7 0.510 -2.828 -2.684 47 HOD HYP 7 HD2 HYP 7 -0.054 -2.386 0.447 48 HG HYP 7 HG HYP 7 -0.092 -0.933 -1.391 49 H ARG 8 H ARG 8 -4.805 -2.123 -3.574 50 HA ARG 8 HA ARG 8 -4.404 -2.551 -6.338 51 1HB ARG 8 2HB ARG 8 -6.375 -0.809 -4.828 52 2HB ARG 8 1HB ARG 8 -6.482 -1.100 -6.553 53 1HG ARG 8 2HG ARG 8 -6.587 -3.570 -6.117 54 2HG ARG 8 1HG ARG 8 -6.534 -3.252 -4.392 55 1HD ARG 8 2HD ARG 8 -8.648 -1.981 -4.534 56 2HD ARG 8 1HD ARG 8 -8.693 -2.220 -6.282 57 HE ARG 8 HE ARG 8 -8.588 -4.775 -5.525 58 1HH1 ARG 8 1HH2 ARG 8 -9.218 -4.382 -2.749 59 2HH1 ARG 8 2HH2 ARG 8 -10.949 -4.374 -2.697 60 1HH2 ARG 8 2HH1 ARG 8 -11.247 -3.778 -6.137 61 2HH2 ARG 8 1HH1 ARG 8 -12.130 -4.020 -4.668 62 H LYS 9 H LYS 9 -4.548 -0.892 -8.037 63 HA LYS 9 HA LYS 9 -3.161 1.667 -7.405 64 1HB LYS 9 2HB LYS 9 -1.783 -0.436 -8.485 65 2HB LYS 9 1HB LYS 9 -2.424 0.249 -9.956 66 1HG LYS 9 2HG LYS 9 -0.478 1.463 -9.803 67 2HG LYS 9 1HG LYS 9 -1.543 2.549 -8.933 68 1HD LYS 9 2HD LYS 9 -0.694 1.910 -6.811 69 2HD LYS 9 1HD LYS 9 -0.050 0.390 -7.403 70 1HE LYS 9 2HE LYS 9 1.034 3.099 -8.277 71 2HE LYS 9 1HE LYS 9 1.715 2.151 -6.963 72 1HZ LYS 9 1HZ LYS 9 1.542 0.354 -8.973 73 2HZ LYS 9 3HZ LYS 9 1.949 1.786 -9.790 74 3HZ LYS 9 2HZ LYS 9 2.937 1.216 -8.531 75 H CYS 10 H CYS 10 -4.569 -0.133 -10.088 76 HA CYS 10 HA CYS 10 -5.960 0.475 -11.849 77 1HB CYS 10 2HB CYS 10 -7.182 2.300 -9.779 78 2HB CYS 10 1HB CYS 10 -7.989 1.609 -11.163 79 H LYS 11 H LYS 11 -3.558 2.128 -11.349 80 HA LYS 11 HA LYS 11 -4.212 4.844 -12.177 81 1HB LYS 11 2HB LYS 11 -2.229 4.030 -10.708 82 2HB LYS 11 1HB LYS 11 -1.467 3.549 -12.206 83 1HG LYS 11 2HG LYS 11 -2.355 6.211 -12.683 84 2HG LYS 11 1HG LYS 11 -1.803 6.228 -11.023 85 1HD LYS 11 2HD LYS 11 0.338 5.021 -11.926 86 2HD LYS 11 1HD LYS 11 -0.230 5.490 -13.517 87 1HE LYS 11 2HE LYS 11 1.242 7.253 -12.828 88 2HE LYS 11 1HE LYS 11 -0.369 7.908 -12.580 89 1HZ LYS 11 1HZ LYS 11 -0.210 7.195 -10.248 90 2HZ LYS 11 3HZ LYS 11 1.390 6.700 -10.526 91 3HZ LYS 11 2HZ LYS 11 0.972 8.339 -10.676 92 H ASP 12 H ASP 12 -3.356 1.884 -13.733 93 HA ASP 12 HA ASP 12 -2.510 3.047 -16.246 94 1HB ASP 12 2HB ASP 12 -2.562 0.435 -15.080 95 2HB ASP 12 1HB ASP 12 -3.515 0.318 -16.537 96 H ARG 13 H ARG 13 -3.556 2.858 -18.242 97 HA ARG 13 HA ARG 13 -6.261 3.815 -18.251 98 1HB ARG 13 2HB ARG 13 -4.494 2.675 -20.473 99 2HB ARG 13 1HB ARG 13 -6.060 3.396 -20.780 100 1HG ARG 13 2HG ARG 13 -3.983 4.959 -19.203 101 2HG ARG 13 1HG ARG 13 -3.850 4.872 -20.945 102 1HD ARG 13 2HD ARG 13 -6.421 5.748 -19.561 103 2HD ARG 13 1HD ARG 13 -5.171 6.877 -20.070 104 HE ARG 13 HE ARG 13 -5.534 5.650 -22.396 105 1HH1 ARG 13 2HH1 ARG 13 -7.987 4.285 -21.544 106 2HH1 ARG 13 1HH1 ARG 13 -9.237 5.408 -21.967 107 1HH2 ARG 13 1HH2 ARG 13 -6.996 8.088 -22.267 108 2HH2 ARG 13 2HH2 ARG 13 -8.660 7.621 -22.386 109 H ARG 14 H ARG 14 -4.845 0.757 -19.352 110 HA ARG 14 HA ARG 14 -7.309 -0.590 -19.756 111 1HB ARG 14 2HB ARG 14 -5.930 -2.607 -19.986 112 2HB ARG 14 1HB ARG 14 -5.140 -1.260 -20.777 113 1HG ARG 14 2HG ARG 14 -3.807 -0.942 -18.572 114 2HG ARG 14 1HG ARG 14 -4.431 -2.507 -18.094 115 1HD ARG 14 2HD ARG 14 -2.612 -3.374 -19.185 116 2HD ARG 14 1HD ARG 14 -3.486 -3.039 -20.674 117 HE ARG 14 HE ARG 14 -1.874 -0.838 -19.542 118 1HH1 ARG 14 1HH2 ARG 14 -2.750 -0.798 -22.352 119 2HH1 ARG 14 2HH2 ARG 14 -1.344 -1.336 -23.210 120 1HH2 ARG 14 2HH1 ARG 14 0.151 -2.659 -20.332 121 2HH2 ARG 14 1HH1 ARG 14 0.343 -2.418 -22.036 122 H CYS 15 H CYS 15 -5.654 0.172 -16.876 123 HA CYS 15 HA CYS 15 -6.855 -2.003 -15.286 124 1HB CYS 15 2HB CYS 15 -4.960 0.254 -14.669 125 2HB CYS 15 1HB CYS 15 -5.603 -0.808 -13.456 126 H LYS 16 H LYS 16 -7.912 0.971 -16.356 127 HA LYS 16 HA LYS 16 -9.152 1.947 -13.940 128 1HB LYS 16 2HB LYS 16 -8.634 3.071 -16.379 129 2HB LYS 16 1HB LYS 16 -10.329 2.706 -16.611 130 1HG LYS 16 2HG LYS 16 -9.313 4.192 -14.159 131 2HG LYS 16 1HG LYS 16 -9.778 5.001 -15.641 132 1HD LYS 16 2HD LYS 16 -12.035 3.654 -15.416 133 2HD LYS 16 1HD LYS 16 -11.534 3.397 -13.755 134 1HE LYS 16 2HE LYS 16 -11.763 6.148 -15.046 135 2HE LYS 16 1HE LYS 16 -12.997 5.417 -14.030 136 1HZ LYS 16 2HZ LYS 16 -11.213 5.189 -12.306 137 2HZ LYS 16 1HZ LYS 16 -10.255 6.202 -13.273 138 3HZ LYS 16 3HZ LYS 16 -11.726 6.773 -12.643 139 HA HYP 17 HA HYP 17 -13.139 -0.013 -15.588 140 1HB HYP 17 1HB HYP 17 -13.480 -0.206 -17.848 141 2HB HYP 17 2HB HYP 17 -12.856 -1.841 -17.755 142 1HD HYP 17 1HD1 HYP 17 -9.765 0.894 -17.455 143 2HD HYP 17 2HD1 HYP 17 -9.588 -0.825 -17.099 144 HOD HYP 17 HD2 HYP 17 -11.903 1.502 -18.180 145 HG HYP 17 HG HYP 17 -11.038 -1.074 -19.016 146 H MET 18 H MET 18 -10.306 -1.748 -15.101 147 HA MET 18 HA MET 18 -10.886 -4.414 -14.893 148 1HB MET 18 2HB MET 18 -9.184 -2.553 -13.266 149 2HB MET 18 1HB MET 18 -9.369 -4.196 -12.687 150 1HG MET 18 2HG MET 18 -8.604 -3.521 -15.527 151 2HG MET 18 1HG MET 18 -7.444 -3.776 -14.263 152 1HE MET 18 1HE MET 18 -7.908 -6.106 -12.659 153 2HE MET 18 3HE MET 18 -7.378 -7.471 -13.620 154 3HE MET 18 2HE MET 18 -6.431 -5.992 -13.648 155 H LYS 19 H LYS 19 -11.661 -5.828 -13.451 156 HA LYS 19 HA LYS 19 -14.096 -5.377 -12.208 157 1HB LYS 19 2HB LYS 19 -12.917 -7.603 -12.781 158 2HB LYS 19 1HB LYS 19 -12.093 -7.458 -11.244 159 1HG LYS 19 2HG LYS 19 -13.967 -8.792 -10.722 160 2HG LYS 19 1HG LYS 19 -14.477 -7.201 -10.195 161 1HD LYS 19 2HD LYS 19 -15.715 -6.874 -12.333 162 2HD LYS 19 1HD LYS 19 -15.149 -8.429 -12.914 163 1HE LYS 19 2HE LYS 19 -16.836 -8.073 -10.399 164 2HE LYS 19 1HE LYS 19 -17.485 -8.505 -11.975 165 1HZ LYS 19 3HZ LYS 19 -15.797 -10.388 -11.898 166 2HZ LYS 19 2HZ LYS 19 -15.698 -10.063 -10.234 167 3HZ LYS 19 1HZ LYS 19 -17.184 -10.514 -10.925 168 H CYS 20 H CYS 20 -10.970 -5.617 -10.493 169 HA CYS 20 HA CYS 20 -12.020 -4.985 -7.936 170 1HB CYS 20 2HB CYS 20 -9.845 -5.031 -7.208 171 2HB CYS 20 1HB CYS 20 -9.650 -5.871 -8.713 172 H CYS 21 H CYS 21 -11.058 -3.056 -10.616 173 HA CYS 21 HA CYS 21 -11.276 -0.498 -9.127 174 1HB CYS 21 2HB CYS 21 -10.553 -0.894 -12.026 175 2HB CYS 21 1HB CYS 21 -10.217 0.492 -11.026 176 H ALA 22 H ALA 22 -13.579 -2.302 -9.957 177 HA ALA 22 HA ALA 22 -15.273 -0.146 -11.083 178 1HB ALA 22 2HB ALA 22 -14.982 -2.936 -12.261 179 2HB ALA 22 1HB ALA 22 -16.323 -1.867 -12.648 180 3HB ALA 22 3HB ALA 22 -14.683 -1.402 -13.065 No H/Q in entry = 180 Start of MODEL 11 1 1H ARG 1 1H ARG 1 4.041 -6.604 -12.659 2 2H ARG 1 3H ARG 1 4.342 -4.957 -12.936 3 3H ARG 1 2H ARG 1 5.142 -5.766 -11.675 4 HA ARG 1 HA ARG 1 3.115 -6.065 -10.481 5 1HB ARG 1 2HB ARG 1 3.860 -3.297 -11.456 6 2HB ARG 1 1HB ARG 1 2.441 -3.452 -10.438 7 1HG ARG 1 2HG ARG 1 3.842 -4.674 -8.736 8 2HG ARG 1 1HG ARG 1 5.254 -4.379 -9.737 9 1HD ARG 1 2HD ARG 1 5.065 -1.984 -9.456 10 2HD ARG 1 1HD ARG 1 3.469 -2.128 -8.717 11 HE ARG 1 HE ARG 1 5.010 -3.623 -7.025 12 1HH1 ARG 1 1HH2 ARG 1 7.481 -2.404 -7.491 13 2HH1 ARG 1 2HH2 ARG 1 7.458 -0.918 -6.599 14 1HH2 ARG 1 1HH1 ARG 1 3.967 -0.926 -6.294 15 2HH2 ARG 1 2HH1 ARG 1 5.416 -0.059 -5.904 16 H ASP 2 H ASP 2 0.876 -4.929 -10.326 17 HA ASP 2 HA ASP 2 -0.578 -4.965 -12.918 18 1HB ASP 2 2HB ASP 2 -1.714 -6.492 -10.550 19 2HB ASP 2 1HB ASP 2 -2.126 -6.646 -12.245 20 H CYS 3 H CYS 3 -3.014 -4.581 -12.304 21 HA CYS 3 HA CYS 3 -3.089 -1.948 -11.032 22 1HB CYS 3 2HB CYS 3 -5.268 -3.645 -12.248 23 2HB CYS 3 1HB CYS 3 -5.474 -2.000 -11.726 24 H CYS 4 H CYS 4 -5.023 -4.877 -10.621 25 HA CYS 4 HA CYS 4 -5.946 -4.046 -8.008 26 1HB CYS 4 2HB CYS 4 -6.295 -6.740 -9.285 27 2HB CYS 4 1HB CYS 4 -7.304 -5.985 -8.086 28 H THR 5 H THR 5 -3.072 -5.557 -8.849 29 HA THR 5 HA THR 5 -2.927 -7.564 -6.819 30 HB THR 5 HB THR 5 -1.254 -7.475 -8.665 31 HG1 THR 5 HG1 THR 5 -0.367 -7.173 -5.987 32 1HG2 THR 5 3HG2 THR 5 -0.926 -4.836 -8.462 33 2HG2 THR 5 2HG2 THR 5 0.157 -5.237 -7.136 34 3HG2 THR 5 1HG2 THR 5 0.492 -5.834 -8.748 35 HA HYP 6 HA HYP 6 -2.967 -4.693 -3.400 36 1HB HYP 6 1HB HYP 6 -3.793 -6.083 -1.818 37 2HB HYP 6 2HB HYP 6 -2.164 -6.615 -1.441 38 1HD HYP 6 1HD1 HYP 6 -3.785 -7.946 -4.999 39 2HD HYP 6 2HD1 HYP 6 -2.084 -8.379 -4.755 40 HOD HYP 6 HD2 HYP 6 -4.729 -8.504 -1.962 41 HG HYP 6 HG HYP 6 -2.618 -8.694 -2.455 42 HA HYP 7 HA HYP 7 -2.437 -3.169 -2.037 43 1HB HYP 7 1HB HYP 7 -1.416 -1.491 -0.910 44 2HB HYP 7 2HB HYP 7 -0.721 -0.859 -2.395 45 1HD HYP 7 1HD1 HYP 7 1.102 -4.417 -1.442 46 2HD HYP 7 2HD1 HYP 7 1.446 -3.553 -2.945 47 HOD HYP 7 HD2 HYP 7 1.291 -3.025 0.251 48 HG HYP 7 HG HYP 7 1.374 -1.629 -1.567 49 H ARG 8 H ARG 8 -3.862 -2.451 -3.492 50 HA ARG 8 HA ARG 8 -3.638 -2.640 -6.234 51 1HB ARG 8 2HB ARG 8 -5.445 -1.026 -4.431 52 2HB ARG 8 1HB ARG 8 -5.642 -0.940 -6.166 53 1HG ARG 8 2HG ARG 8 -5.499 -3.676 -5.796 54 2HG ARG 8 1HG ARG 8 -6.239 -3.181 -4.289 55 1HD ARG 8 2HD ARG 8 -8.077 -2.087 -5.464 56 2HD ARG 8 1HD ARG 8 -7.268 -2.281 -7.016 57 HE ARG 8 HE ARG 8 -7.785 -4.617 -6.983 58 1HH1 ARG 8 1HH2 ARG 8 -7.568 -5.748 -4.473 59 2HH1 ARG 8 2HH2 ARG 8 -9.162 -5.752 -3.800 60 1HH2 ARG 8 2HH1 ARG 8 -10.370 -3.356 -6.043 61 2HH2 ARG 8 1HH1 ARG 8 -10.781 -4.373 -4.701 62 H LYS 9 H LYS 9 -4.091 -0.913 -7.812 63 HA LYS 9 HA LYS 9 -2.461 1.542 -7.434 64 1HB LYS 9 2HB LYS 9 -1.161 -0.353 -8.577 65 2HB LYS 9 1HB LYS 9 -2.301 -0.256 -9.899 66 1HG LYS 9 2HG LYS 9 -1.672 1.990 -10.447 67 2HG LYS 9 1HG LYS 9 -0.767 2.194 -8.952 68 1HD LYS 9 2HD LYS 9 0.735 0.262 -9.793 69 2HD LYS 9 1HD LYS 9 -0.061 0.444 -11.347 70 1HE LYS 9 2HE LYS 9 1.460 2.656 -9.884 71 2HE LYS 9 1HE LYS 9 2.058 1.746 -11.262 72 1HZ LYS 9 2HZ LYS 9 -0.353 3.459 -11.252 73 2HZ LYS 9 1HZ LYS 9 1.158 3.868 -11.910 74 3HZ LYS 9 3HZ LYS 9 0.251 2.614 -12.593 75 H CYS 10 H CYS 10 -4.265 -0.078 -9.997 76 HA CYS 10 HA CYS 10 -5.933 0.630 -11.449 77 1HB CYS 10 2HB CYS 10 -6.779 2.048 -8.909 78 2HB CYS 10 1HB CYS 10 -7.780 1.923 -10.326 79 H LYS 11 H LYS 11 -3.522 2.513 -10.879 80 HA LYS 11 HA LYS 11 -4.508 5.143 -11.679 81 1HB LYS 11 2HB LYS 11 -2.112 4.072 -10.514 82 2HB LYS 11 1HB LYS 11 -1.625 4.819 -12.021 83 1HG LYS 11 2HG LYS 11 -2.786 6.924 -11.323 84 2HG LYS 11 1HG LYS 11 -3.267 6.145 -9.829 85 1HD LYS 11 2HD LYS 11 -1.313 7.309 -9.195 86 2HD LYS 11 1HD LYS 11 -0.725 5.682 -9.451 87 1HE LYS 11 2HE LYS 11 -0.690 7.431 -11.888 88 2HE LYS 11 1HE LYS 11 0.400 7.905 -10.599 89 1HZ LYS 11 1HZ LYS 11 1.183 5.564 -10.566 90 2HZ LYS 11 3HZ LYS 11 0.293 5.295 -11.986 91 3HZ LYS 11 2HZ LYS 11 1.553 6.433 -11.978 92 H ASP 12 H ASP 12 -2.980 2.388 -13.152 93 HA ASP 12 HA ASP 12 -2.342 3.522 -15.685 94 1HB ASP 12 2HB ASP 12 -2.713 0.740 -14.616 95 2HB ASP 12 1HB ASP 12 -2.744 0.931 -16.351 96 H ARG 13 H ARG 13 -3.379 3.599 -17.584 97 HA ARG 13 HA ARG 13 -6.210 3.995 -17.614 98 1HB ARG 13 2HB ARG 13 -4.448 4.924 -19.247 99 2HB ARG 13 1HB ARG 13 -4.403 3.341 -19.988 100 1HG ARG 13 2HG ARG 13 -7.137 3.866 -19.979 101 2HG ARG 13 1HG ARG 13 -6.471 5.481 -20.152 102 1HD ARG 13 2HD ARG 13 -6.776 4.579 -22.387 103 2HD ARG 13 1HD ARG 13 -5.042 4.568 -22.073 104 HE ARG 13 HE ARG 13 -6.191 2.075 -21.227 105 1HH1 ARG 13 2HH1 ARG 13 -3.685 2.241 -22.748 106 2HH1 ARG 13 1HH1 ARG 13 -4.123 1.624 -24.308 107 1HH2 ARG 13 1HH2 ARG 13 -7.554 2.035 -23.727 108 2HH2 ARG 13 2HH2 ARG 13 -6.372 1.505 -24.875 109 H ARG 14 H ARG 14 -4.105 1.348 -18.323 110 HA ARG 14 HA ARG 14 -5.797 -0.508 -19.548 111 1HB ARG 14 2HB ARG 14 -3.530 -1.081 -17.605 112 2HB ARG 14 1HB ARG 14 -4.175 -2.208 -18.784 113 1HG ARG 14 2HG ARG 14 -3.405 -0.827 -20.640 114 2HG ARG 14 1HG ARG 14 -2.927 0.469 -19.562 115 1HD ARG 14 2HD ARG 14 -1.603 -1.947 -18.663 116 2HD ARG 14 1HD ARG 14 -1.351 -1.791 -20.394 117 HE ARG 14 HE ARG 14 -0.508 0.188 -18.335 118 1HH1 ARG 14 1HH2 ARG 14 -1.339 1.381 -20.977 119 2HH1 ARG 14 2HH2 ARG 14 0.177 1.458 -21.813 120 1HH2 ARG 14 2HH1 ARG 14 1.735 -0.765 -19.597 121 2HH2 ARG 14 1HH1 ARG 14 1.964 0.210 -21.011 122 H CYS 15 H CYS 15 -5.871 0.538 -16.267 123 HA CYS 15 HA CYS 15 -7.174 -1.852 -15.201 124 1HB CYS 15 2HB CYS 15 -7.015 0.815 -13.851 125 2HB CYS 15 1HB CYS 15 -7.070 -0.772 -13.144 126 H LYS 16 H LYS 16 -8.385 0.675 -17.041 127 HA LYS 16 HA LYS 16 -10.761 1.394 -15.732 128 1HB LYS 16 2HB LYS 16 -10.015 1.197 -18.671 129 2HB LYS 16 1HB LYS 16 -11.601 1.753 -18.172 130 1HG LYS 16 2HG LYS 16 -10.635 3.573 -16.878 131 2HG LYS 16 1HG LYS 16 -9.012 2.949 -17.103 132 1HD LYS 16 2HD LYS 16 -9.246 3.308 -19.580 133 2HD LYS 16 1HD LYS 16 -10.840 3.990 -19.308 134 1HE LYS 16 2HE LYS 16 -9.822 5.751 -17.843 135 2HE LYS 16 1HE LYS 16 -8.228 5.097 -18.191 136 1HZ LYS 16 2HZ LYS 16 -10.016 5.843 -20.397 137 2HZ LYS 16 1HZ LYS 16 -9.142 7.041 -19.566 138 3HZ LYS 16 3HZ LYS 16 -8.321 5.783 -20.358 139 HA HYP 17 HA HYP 17 -13.094 -2.265 -17.695 140 1HB HYP 17 1HB HYP 17 -12.289 -3.458 -19.484 141 2HB HYP 17 2HB HYP 17 -11.407 -4.485 -18.371 142 1HD HYP 17 1HD1 HYP 17 -9.590 -0.786 -18.611 143 2HD HYP 17 2HD1 HYP 17 -9.152 -2.023 -17.424 144 HOD HYP 17 HD2 HYP 17 -10.717 -2.806 -20.994 145 HG HYP 17 HG HYP 17 -9.465 -3.534 -19.254 146 H MET 18 H MET 18 -10.278 -2.837 -15.775 147 HA MET 18 HA MET 18 -11.102 -5.176 -14.367 148 1HB MET 18 2HB MET 18 -9.292 -2.916 -13.445 149 2HB MET 18 1HB MET 18 -9.429 -4.490 -12.677 150 1HG MET 18 2HG MET 18 -8.791 -5.562 -14.860 151 2HG MET 18 1HG MET 18 -8.535 -3.976 -15.525 152 1HE MET 18 3HE MET 18 -7.708 -6.373 -12.787 153 2HE MET 18 2HE MET 18 -6.576 -7.010 -13.991 154 3HE MET 18 1HE MET 18 -5.987 -6.225 -12.517 155 H LYS 19 H LYS 19 -12.848 -5.367 -13.374 156 HA LYS 19 HA LYS 19 -14.540 -3.384 -12.280 157 1HB LYS 19 2HB LYS 19 -15.081 -5.818 -12.924 158 2HB LYS 19 1HB LYS 19 -14.468 -6.271 -11.344 159 1HG LYS 19 2HG LYS 19 -16.194 -5.036 -10.200 160 2HG LYS 19 1HG LYS 19 -16.614 -4.137 -11.641 161 1HD LYS 19 2HD LYS 19 -18.321 -5.847 -11.244 162 2HD LYS 19 1HD LYS 19 -17.455 -6.224 -12.719 163 1HE LYS 19 2HE LYS 19 -17.827 -8.231 -11.233 164 2HE LYS 19 1HE LYS 19 -16.127 -7.942 -11.561 165 1HZ LYS 19 1HZ LYS 19 -17.494 -6.905 -9.154 166 2HZ LYS 19 3HZ LYS 19 -16.724 -8.420 -9.205 167 3HZ LYS 19 2HZ LYS 19 -15.825 -7.001 -9.450 168 H CYS 20 H CYS 20 -11.850 -5.038 -10.800 169 HA CYS 20 HA CYS 20 -12.420 -4.732 -8.081 170 1HB CYS 20 2HB CYS 20 -10.189 -5.180 -7.699 171 2HB CYS 20 1HB CYS 20 -10.378 -5.790 -9.314 172 H CYS 21 H CYS 21 -11.217 -2.374 -10.361 173 HA CYS 21 HA CYS 21 -10.737 -0.307 -8.346 174 1HB CYS 21 2HB CYS 21 -10.935 -0.052 -11.372 175 2HB CYS 21 1HB CYS 21 -10.185 1.082 -10.280 176 H ALA 22 H ALA 22 -13.076 -1.055 -10.846 177 HA ALA 22 HA ALA 22 -14.803 1.165 -10.532 178 1HB ALA 22 2HB ALA 22 -14.807 -0.634 -12.371 179 2HB ALA 22 1HB ALA 22 -15.745 -1.625 -11.263 180 3HB ALA 22 3HB ALA 22 -16.384 -0.086 -11.816 No H/Q in entry = 180 Start of MODEL 12 1 1H ARG 1 2H ARG 1 4.689 -7.073 -10.654 2 2H ARG 1 1H ARG 1 4.872 -7.635 -9.061 3 3H ARG 1 3H ARG 1 3.870 -8.472 -10.150 4 HA ARG 1 HA ARG 1 2.458 -7.269 -8.728 5 1HB ARG 1 2HB ARG 1 4.078 -5.638 -7.861 6 2HB ARG 1 1HB ARG 1 4.249 -4.894 -9.439 7 1HG ARG 1 2HG ARG 1 2.085 -3.918 -9.374 8 2HG ARG 1 1HG ARG 1 1.523 -5.030 -8.147 9 1HD ARG 1 2HD ARG 1 1.831 -3.010 -6.960 10 2HD ARG 1 1HD ARG 1 3.295 -3.914 -6.586 11 HE ARG 1 HE ARG 1 3.361 -2.086 -8.926 12 1HH1 ARG 1 1HH1 ARG 1 5.793 -3.243 -7.671 13 2HH1 ARG 1 2HH1 ARG 1 6.376 -1.939 -6.691 14 1HH2 ARG 1 1HH2 ARG 1 3.316 -0.222 -6.848 15 2HH2 ARG 1 2HH2 ARG 1 4.926 -0.170 -6.209 16 H ASP 2 H ASP 2 0.537 -6.593 -9.572 17 HA ASP 2 HA ASP 2 0.446 -5.756 -12.432 18 1HB ASP 2 2HB ASP 2 -1.774 -7.403 -11.211 19 2HB ASP 2 1HB ASP 2 -1.233 -7.341 -12.879 20 H CYS 3 H CYS 3 -2.172 -5.333 -12.682 21 HA CYS 3 HA CYS 3 -2.578 -2.725 -11.616 22 1HB CYS 3 2HB CYS 3 -4.177 -4.699 -13.181 23 2HB CYS 3 1HB CYS 3 -5.056 -3.412 -12.430 24 H CYS 4 H CYS 4 -4.231 -5.744 -10.879 25 HA CYS 4 HA CYS 4 -5.671 -4.533 -8.639 26 1HB CYS 4 2HB CYS 4 -5.648 -7.400 -9.554 27 2HB CYS 4 1HB CYS 4 -6.823 -6.625 -8.530 28 H THR 5 H THR 5 -2.612 -5.401 -8.692 29 HA THR 5 HA THR 5 -2.358 -7.265 -6.511 30 HB THR 5 HB THR 5 -0.433 -5.353 -7.858 31 HG1 THR 5 HG1 THR 5 -0.730 -7.102 -9.034 32 1HG2 THR 5 2HG2 THR 5 -0.002 -7.315 -5.513 33 2HG2 THR 5 1HG2 THR 5 1.307 -6.855 -6.589 34 3HG2 THR 5 3HG2 THR 5 0.537 -5.646 -5.584 35 HA HYP 6 HA HYP 6 -3.631 -4.107 -3.519 36 1HB HYP 6 1HB HYP 6 -4.683 -5.290 -1.905 37 2HB HYP 6 2HB HYP 6 -3.197 -6.087 -1.406 38 1HD HYP 6 1HD1 HYP 6 -3.713 -7.581 -5.112 39 2HD HYP 6 2HD1 HYP 6 -2.360 -7.797 -3.984 40 HOD HYP 6 HD2 HYP 6 -6.069 -7.456 -3.435 41 HG HYP 6 HG HYP 6 -4.259 -7.983 -2.458 42 HA HYP 7 HA HYP 7 -3.507 -2.382 -2.189 43 1HB HYP 7 1HB HYP 7 -2.794 -0.499 -1.147 44 2HB HYP 7 2HB HYP 7 -1.862 -0.018 -2.553 45 1HD HYP 7 1HD1 HYP 7 -0.118 -3.272 -0.739 46 2HD HYP 7 2HD1 HYP 7 0.494 -2.628 -2.267 47 HOD HYP 7 HD2 HYP 7 -0.260 -1.406 0.733 48 HG HYP 7 HG HYP 7 0.081 -0.519 -1.272 49 H ARG 8 H ARG 8 -4.581 -2.377 -4.018 50 HA ARG 8 HA ARG 8 -3.682 -2.754 -6.601 51 1HB ARG 8 2HB ARG 8 -6.156 -1.215 -5.759 52 2HB ARG 8 1HB ARG 8 -5.882 -1.965 -7.321 53 1HG ARG 8 2HG ARG 8 -5.458 -4.156 -5.855 54 2HG ARG 8 1HG ARG 8 -6.365 -3.271 -4.644 55 1HD ARG 8 2HD ARG 8 -8.183 -2.900 -6.360 56 2HD ARG 8 1HD ARG 8 -7.300 -3.941 -7.466 57 HE ARG 8 HE ARG 8 -8.015 -5.810 -6.221 58 1HH1 ARG 8 1HH2 ARG 8 -7.269 -5.776 -3.627 59 2HH1 ARG 8 2HH2 ARG 8 -8.618 -5.236 -2.689 60 1HH2 ARG 8 2HH1 ARG 8 -10.265 -3.851 -5.452 61 2HH2 ARG 8 1HH1 ARG 8 -10.358 -4.123 -3.743 62 H LYS 9 H LYS 9 -3.143 -1.605 -8.293 63 HA LYS 9 HA LYS 9 -2.077 1.080 -7.868 64 1HB LYS 9 2HB LYS 9 -1.131 -0.914 -9.352 65 2HB LYS 9 1HB LYS 9 -2.199 -0.285 -10.583 66 1HG LYS 9 2HG LYS 9 -0.323 0.981 -11.064 67 2HG LYS 9 1HG LYS 9 -1.086 2.059 -9.921 68 1HD LYS 9 2HD LYS 9 1.065 1.961 -9.001 69 2HD LYS 9 1HD LYS 9 0.299 0.664 -8.107 70 1HE LYS 9 2HE LYS 9 2.412 -0.178 -8.939 71 2HE LYS 9 1HE LYS 9 1.155 -0.953 -9.894 72 1HZ LYS 9 3HZ LYS 9 2.722 1.432 -10.689 73 2HZ LYS 9 2HZ LYS 9 2.936 -0.146 -11.274 74 3HZ LYS 9 1HZ LYS 9 1.507 0.701 -11.620 75 H CYS 10 H CYS 10 -4.177 -0.251 -10.356 76 HA CYS 10 HA CYS 10 -5.900 0.610 -11.615 77 1HB CYS 10 2HB CYS 10 -6.470 2.107 -9.037 78 2HB CYS 10 1HB CYS 10 -7.605 1.892 -10.341 79 H LYS 11 H LYS 11 -3.333 2.354 -11.084 80 HA LYS 11 HA LYS 11 -4.216 5.042 -11.810 81 1HB LYS 11 2HB LYS 11 -2.079 4.236 -10.447 82 2HB LYS 11 1HB LYS 11 -1.356 4.041 -12.030 83 1HG LYS 11 2HG LYS 11 -1.682 6.381 -12.564 84 2HG LYS 11 1HG LYS 11 -2.704 6.637 -11.163 85 1HD LYS 11 2HD LYS 11 0.157 5.672 -10.819 86 2HD LYS 11 1HD LYS 11 -0.188 7.376 -11.034 87 1HE LYS 11 2HE LYS 11 -1.687 7.358 -9.060 88 2HE LYS 11 1HE LYS 11 -1.419 5.634 -8.850 89 1HZ LYS 11 3HZ LYS 11 0.944 6.093 -8.561 90 2HZ LYS 11 2HZ LYS 11 0.629 7.760 -8.673 91 3HZ LYS 11 1HZ LYS 11 -0.018 6.857 -7.386 92 H ASP 12 H ASP 12 -2.855 2.219 -13.289 93 HA ASP 12 HA ASP 12 -2.363 3.306 -15.907 94 1HB ASP 12 2HB ASP 12 -2.728 0.486 -14.822 95 2HB ASP 12 1HB ASP 12 -2.359 0.785 -16.506 96 H ARG 13 H ARG 13 -3.779 3.672 -17.503 97 HA ARG 13 HA ARG 13 -6.581 3.585 -17.092 98 1HB ARG 13 2HB ARG 13 -4.824 4.596 -19.072 99 2HB ARG 13 1HB ARG 13 -5.843 3.475 -19.948 100 1HG ARG 13 2HG ARG 13 -7.871 4.591 -18.952 101 2HG ARG 13 1HG ARG 13 -6.819 5.755 -18.170 102 1HD ARG 13 2HD ARG 13 -7.535 6.816 -20.199 103 2HD ARG 13 1HD ARG 13 -5.898 6.268 -20.551 104 HE ARG 13 HE ARG 13 -7.891 4.267 -21.236 105 1HH1 ARG 13 1HH2 ARG 13 -5.540 4.530 -22.873 106 2HH1 ARG 13 2HH2 ARG 13 -6.077 5.412 -24.263 107 1HH2 ARG 13 2HH1 ARG 13 -8.979 6.550 -22.660 108 2HH2 ARG 13 1HH1 ARG 13 -8.079 6.588 -24.140 109 H ARG 14 H ARG 14 -4.494 1.064 -17.831 110 HA ARG 14 HA ARG 14 -6.218 -0.586 -19.400 111 1HB ARG 14 2HB ARG 14 -3.610 -0.698 -18.954 112 2HB ARG 14 1HB ARG 14 -4.062 -1.686 -17.580 113 1HG ARG 14 2HG ARG 14 -5.131 -3.334 -19.006 114 2HG ARG 14 1HG ARG 14 -5.060 -2.274 -20.400 115 1HD ARG 14 2HD ARG 14 -3.261 -3.988 -20.518 116 2HD ARG 14 1HD ARG 14 -2.565 -2.382 -20.363 117 HE ARG 14 HE ARG 14 -1.788 -2.961 -18.208 118 1HH1 ARG 14 2HH1 ARG 14 -4.172 -3.923 -16.899 119 2HH1 ARG 14 1HH1 ARG 14 -3.906 -5.627 -16.730 120 1HH2 ARG 14 1HH2 ARG 14 -1.355 -5.677 -19.129 121 2HH2 ARG 14 2HH2 ARG 14 -2.274 -6.644 -18.024 122 H CYS 15 H CYS 15 -5.782 -0.057 -15.974 123 HA CYS 15 HA CYS 15 -7.537 -2.309 -15.242 124 1HB CYS 15 2HB CYS 15 -6.877 -0.564 -13.041 125 2HB CYS 15 1HB CYS 15 -6.536 -2.243 -13.284 126 H LYS 16 H LYS 16 -7.892 0.957 -16.014 127 HA LYS 16 HA LYS 16 -9.824 1.950 -14.280 128 1HB LYS 16 2HB LYS 16 -9.213 2.390 -17.193 129 2HB LYS 16 1HB LYS 16 -10.763 2.970 -16.644 130 1HG LYS 16 2HG LYS 16 -8.212 3.597 -15.112 131 2HG LYS 16 1HG LYS 16 -8.655 4.535 -16.519 132 1HD LYS 16 2HD LYS 16 -10.632 4.107 -14.243 133 2HD LYS 16 1HD LYS 16 -9.448 5.393 -14.188 134 1HE LYS 16 2HE LYS 16 -11.392 5.048 -16.512 135 2HE LYS 16 1HE LYS 16 -11.697 6.088 -15.133 136 1HZ LYS 16 3HZ LYS 16 -9.117 6.484 -16.337 137 2HZ LYS 16 2HZ LYS 16 -10.422 6.826 -17.368 138 3HZ LYS 16 1HZ LYS 16 -10.293 7.615 -15.870 139 HA HYP 17 HA HYP 17 -13.400 -0.242 -16.476 140 1HB HYP 17 1HB HYP 17 -13.282 -0.689 -18.719 141 2HB HYP 17 2HB HYP 17 -12.728 -2.297 -18.306 142 1HD HYP 17 1HD1 HYP 17 -9.785 0.583 -17.815 143 2HD HYP 17 2HD1 HYP 17 -9.584 -1.055 -17.181 144 HOD HYP 17 HD2 HYP 17 -11.708 0.920 -19.094 145 HG HYP 17 HG HYP 17 -10.661 -1.718 -19.220 146 H MET 18 H MET 18 -10.623 -2.304 -15.960 147 HA MET 18 HA MET 18 -11.687 -4.743 -15.280 148 1HB MET 18 2HB MET 18 -9.299 -3.205 -14.319 149 2HB MET 18 1HB MET 18 -9.728 -4.625 -13.398 150 1HG MET 18 2HG MET 18 -9.780 -5.056 -16.326 151 2HG MET 18 1HG MET 18 -8.228 -4.595 -15.703 152 1HE MET 18 1HE MET 18 -11.199 -6.906 -14.595 153 2HE MET 18 3HE MET 18 -10.755 -7.385 -16.251 154 3HE MET 18 2HE MET 18 -10.478 -8.473 -14.899 155 H LYS 19 H LYS 19 -12.767 -5.668 -13.801 156 HA LYS 19 HA LYS 19 -14.560 -4.473 -12.084 157 1HB LYS 19 2HB LYS 19 -14.793 -6.714 -11.019 158 2HB LYS 19 1HB LYS 19 -14.770 -6.769 -12.764 159 1HG LYS 19 2HG LYS 19 -13.219 -8.425 -12.485 160 2HG LYS 19 1HG LYS 19 -12.087 -7.111 -12.298 161 1HD LYS 19 2HD LYS 19 -11.582 -8.059 -10.285 162 2HD LYS 19 1HD LYS 19 -13.065 -7.335 -9.703 163 1HE LYS 19 2HE LYS 19 -14.282 -9.456 -10.412 164 2HE LYS 19 1HE LYS 19 -12.710 -10.161 -10.773 165 1HZ LYS 19 2HZ LYS 19 -12.078 -9.612 -8.449 166 2HZ LYS 19 1HZ LYS 19 -13.700 -9.206 -8.157 167 3HZ LYS 19 3HZ LYS 19 -13.291 -10.793 -8.602 168 H CYS 20 H CYS 20 -11.318 -5.552 -11.150 169 HA CYS 20 HA CYS 20 -11.614 -5.227 -8.366 170 1HB CYS 20 2HB CYS 20 -9.331 -5.569 -8.219 171 2HB CYS 20 1HB CYS 20 -9.791 -6.416 -9.662 172 H CYS 21 H CYS 21 -11.453 -2.740 -10.689 173 HA CYS 21 HA CYS 21 -10.690 -0.744 -8.595 174 1HB CYS 21 2HB CYS 21 -10.371 -0.554 -11.599 175 2HB CYS 21 1HB CYS 21 -9.920 0.677 -10.452 176 H ALA 22 H ALA 22 -12.649 -1.363 -11.459 177 HA ALA 22 HA ALA 22 -14.526 0.820 -10.700 178 1HB ALA 22 2HB ALA 22 -13.995 -0.673 -13.288 179 2HB ALA 22 1HB ALA 22 -15.448 0.291 -13.065 180 3HB ALA 22 3HB ALA 22 -13.871 1.051 -12.967 No H/Q in entry = 180 Start of MODEL 13 1 1H ARG 1 3H ARG 1 3.716 -9.442 -10.129 2 2H ARG 1 2H ARG 1 3.645 -9.919 -8.500 3 3H ARG 1 1H ARG 1 2.319 -10.200 -9.526 4 HA ARG 1 HA ARG 1 1.823 -8.361 -8.137 5 1HB ARG 1 2HB ARG 1 4.567 -7.836 -8.304 6 2HB ARG 1 1HB ARG 1 3.923 -6.563 -9.309 7 1HG ARG 1 2HG ARG 1 2.866 -7.159 -6.513 8 2HG ARG 1 1HG ARG 1 4.170 -6.031 -6.812 9 1HD ARG 1 2HD ARG 1 2.726 -4.611 -8.179 10 2HD ARG 1 1HD ARG 1 1.419 -5.786 -8.106 11 HE ARG 1 HE ARG 1 1.482 -5.398 -5.571 12 1HH1 ARG 1 1HH1 ARG 1 3.780 -3.348 -6.334 13 2HH1 ARG 1 2HH1 ARG 1 2.940 -1.870 -6.003 14 1HH2 ARG 1 1HH2 ARG 1 -0.166 -3.480 -5.822 15 2HH2 ARG 1 2HH2 ARG 1 0.619 -1.939 -5.706 16 H ASP 2 H ASP 2 0.050 -7.893 -9.219 17 HA ASP 2 HA ASP 2 0.217 -6.920 -12.030 18 1HB ASP 2 2HB ASP 2 -2.270 -8.075 -10.733 19 2HB ASP 2 1HB ASP 2 -1.862 -7.996 -12.439 20 H CYS 3 H CYS 3 -2.232 -5.942 -12.316 21 HA CYS 3 HA CYS 3 -2.078 -3.274 -11.304 22 1HB CYS 3 2HB CYS 3 -4.065 -4.909 -12.835 23 2HB CYS 3 1HB CYS 3 -4.620 -3.425 -12.135 24 H CYS 4 H CYS 4 -4.429 -5.818 -10.643 25 HA CYS 4 HA CYS 4 -5.569 -4.372 -8.396 26 1HB CYS 4 2HB CYS 4 -6.019 -7.164 -9.439 27 2HB CYS 4 1HB CYS 4 -6.978 -6.409 -8.198 28 H THR 5 H THR 5 -2.793 -6.214 -8.561 29 HA THR 5 HA THR 5 -2.956 -7.784 -6.176 30 HB THR 5 HB THR 5 -0.568 -6.599 -7.692 31 HG1 THR 5 HG1 THR 5 -1.356 -8.295 -8.731 32 1HG2 THR 5 2HG2 THR 5 -0.644 -8.503 -5.267 33 2HG2 THR 5 1HG2 THR 5 0.761 -8.301 -6.296 34 3HG2 THR 5 3HG2 THR 5 0.197 -6.963 -5.315 35 HA HYP 6 HA HYP 6 -3.602 -4.136 -3.718 36 1HB HYP 6 1HB HYP 6 -4.534 -4.874 -1.789 37 2HB HYP 6 2HB HYP 6 -3.033 -5.598 -1.237 38 1HD HYP 6 1HD1 HYP 6 -4.277 -7.596 -4.579 39 2HD HYP 6 2HD1 HYP 6 -2.788 -8.036 -3.729 40 HOD HYP 6 HD2 HYP 6 -6.066 -7.404 -2.285 41 HG HYP 6 HG HYP 6 -4.056 -7.672 -1.742 42 HA HYP 7 HA HYP 7 -3.386 -2.285 -2.614 43 1HB HYP 7 1HB HYP 7 -2.580 -0.309 -1.850 44 2HB HYP 7 2HB HYP 7 -1.876 0.033 -3.421 45 1HD HYP 7 1HD1 HYP 7 0.193 -2.955 -1.472 46 2HD HYP 7 2HD1 HYP 7 0.583 -2.535 -3.144 47 HOD HYP 7 HD2 HYP 7 -1.284 -1.533 -0.380 48 HG HYP 7 HG HYP 7 0.256 -0.305 -2.432 49 H ARG 8 H ARG 8 -4.702 -1.709 -4.312 50 HA ARG 8 HA ARG 8 -4.168 -2.690 -6.903 51 1HB ARG 8 2HB ARG 8 -6.178 -0.603 -5.985 52 2HB ARG 8 1HB ARG 8 -6.217 -1.394 -7.548 53 1HG ARG 8 2HG ARG 8 -6.413 -3.618 -6.408 54 2HG ARG 8 1HG ARG 8 -6.422 -2.801 -4.855 55 1HD ARG 8 2HD ARG 8 -8.433 -1.435 -5.796 56 2HD ARG 8 1HD ARG 8 -8.511 -2.670 -7.049 57 HE ARG 8 HE ARG 8 -8.403 -4.083 -4.638 58 1HH1 ARG 8 1HH2 ARG 8 -9.907 -1.523 -3.839 59 2HH1 ARG 8 2HH2 ARG 8 -11.551 -2.043 -4.016 60 1HH2 ARG 8 2HH1 ARG 8 -10.670 -4.873 -5.877 61 2HH2 ARG 8 1HH1 ARG 8 -11.992 -3.983 -5.200 62 H LYS 9 H LYS 9 -4.127 -1.481 -8.919 63 HA LYS 9 HA LYS 9 -2.673 1.126 -8.742 64 1HB LYS 9 2HB LYS 9 -1.265 -1.000 -9.293 65 2HB LYS 9 1HB LYS 9 -2.114 -1.026 -10.824 66 1HG LYS 9 2HG LYS 9 -0.297 0.284 -11.438 67 2HG LYS 9 1HG LYS 9 -1.374 1.556 -10.901 68 1HD LYS 9 2HD LYS 9 -0.306 1.392 -8.597 69 2HD LYS 9 1HD LYS 9 0.861 0.275 -9.283 70 1HE LYS 9 2HE LYS 9 1.386 2.103 -11.027 71 2HE LYS 9 1HE LYS 9 0.424 3.190 -10.036 72 1HZ LYS 9 1HZ LYS 9 2.013 2.134 -8.197 73 2HZ LYS 9 3HZ LYS 9 3.042 2.063 -9.546 74 3HZ LYS 9 2HZ LYS 9 2.381 3.550 -9.060 75 H CYS 10 H CYS 10 -5.331 1.103 -8.957 76 HA CYS 10 HA CYS 10 -6.373 1.035 -11.631 77 1HB CYS 10 2HB CYS 10 -7.411 2.650 -9.297 78 2HB CYS 10 1HB CYS 10 -8.322 2.110 -10.681 79 H LYS 11 H LYS 11 -4.006 2.939 -10.707 80 HA LYS 11 HA LYS 11 -4.877 5.558 -11.640 81 1HB LYS 11 2HB LYS 11 -2.820 4.643 -10.013 82 2HB LYS 11 1HB LYS 11 -1.955 4.921 -11.508 83 1HG LYS 11 2HG LYS 11 -3.021 7.256 -11.558 84 2HG LYS 11 1HG LYS 11 -3.600 6.946 -9.933 85 1HD LYS 11 2HD LYS 11 -0.654 6.649 -10.660 86 2HD LYS 11 1HD LYS 11 -1.324 8.197 -10.194 87 1HE LYS 11 2HE LYS 11 -1.636 5.724 -8.437 88 2HE LYS 11 1HE LYS 11 -0.273 6.820 -8.299 89 1HZ LYS 11 1HZ LYS 11 -3.067 7.761 -8.174 90 2HZ LYS 11 3HZ LYS 11 -2.210 7.250 -6.801 91 3HZ LYS 11 2HZ LYS 11 -1.657 8.580 -7.700 92 H ASP 12 H ASP 12 -3.506 2.668 -12.914 93 HA ASP 12 HA ASP 12 -2.636 3.846 -15.456 94 1HB ASP 12 2HB ASP 12 -2.703 1.028 -14.303 95 2HB ASP 12 1HB ASP 12 -2.205 1.347 -15.952 96 H ARG 13 H ARG 13 -3.957 4.041 -17.148 97 HA ARG 13 HA ARG 13 -6.730 3.547 -17.072 98 1HB ARG 13 2HB ARG 13 -4.902 3.740 -19.505 99 2HB ARG 13 1HB ARG 13 -6.649 3.885 -19.557 100 1HG ARG 13 2HG ARG 13 -6.292 5.795 -17.752 101 2HG ARG 13 1HG ARG 13 -4.630 5.773 -18.304 102 1HD ARG 13 2HD ARG 13 -5.750 7.441 -19.636 103 2HD ARG 13 1HD ARG 13 -5.565 6.047 -20.697 104 HE ARG 13 HE ARG 13 -8.100 6.275 -19.166 105 1HH1 ARG 13 2HH1 ARG 13 -8.419 4.437 -21.190 106 2HH1 ARG 13 1HH1 ARG 13 -8.905 5.321 -22.598 107 1HH2 ARG 13 1HH2 ARG 13 -7.786 8.381 -21.312 108 2HH2 ARG 13 2HH2 ARG 13 -8.538 7.612 -22.669 109 H ARG 14 H ARG 14 -4.148 1.422 -17.815 110 HA ARG 14 HA ARG 14 -5.411 -0.557 -19.351 111 1HB ARG 14 2HB ARG 14 -2.920 -0.289 -18.687 112 2HB ARG 14 1HB ARG 14 -3.332 -1.132 -17.207 113 1HG ARG 14 2HG ARG 14 -4.058 -3.109 -18.457 114 2HG ARG 14 1HG ARG 14 -3.915 -2.256 -19.984 115 1HD ARG 14 2HD ARG 14 -1.935 -3.662 -19.708 116 2HD ARG 14 1HD ARG 14 -1.429 -1.987 -19.531 117 HE ARG 14 HE ARG 14 -1.374 -2.331 -17.087 118 1HH1 ARG 14 2HH1 ARG 14 -3.180 -4.725 -17.029 119 2HH1 ARG 14 1HH1 ARG 14 -2.059 -6.016 -16.742 120 1HH2 ARG 14 1HH2 ARG 14 0.717 -4.077 -17.639 121 2HH2 ARG 14 2HH2 ARG 14 0.202 -5.640 -17.097 122 H CYS 15 H CYS 15 -5.478 0.015 -15.896 123 HA CYS 15 HA CYS 15 -7.331 -2.292 -15.536 124 1HB CYS 15 2HB CYS 15 -6.439 -1.543 -12.985 125 2HB CYS 15 1HB CYS 15 -5.957 -2.903 -13.936 126 H LYS 16 H LYS 16 -7.982 0.538 -16.349 127 HA LYS 16 HA LYS 16 -9.298 1.737 -14.061 128 1HB LYS 16 2HB LYS 16 -8.800 2.441 -16.835 129 2HB LYS 16 1HB LYS 16 -10.508 2.660 -16.530 130 1HG LYS 16 2HG LYS 16 -10.130 4.222 -14.782 131 2HG LYS 16 1HG LYS 16 -8.455 3.751 -14.587 132 1HD LYS 16 2HD LYS 16 -7.775 5.308 -16.065 133 2HD LYS 16 1HD LYS 16 -8.779 4.626 -17.328 134 1HE LYS 16 2HE LYS 16 -10.712 5.960 -16.515 135 2HE LYS 16 1HE LYS 16 -9.707 6.638 -15.241 136 1HZ LYS 16 3HZ LYS 16 -8.568 6.854 -17.873 137 2HZ LYS 16 2HZ LYS 16 -10.027 7.700 -17.679 138 3HZ LYS 16 1HZ LYS 16 -8.717 8.018 -16.647 139 HA HYP 17 HA HYP 17 -13.275 -0.150 -15.847 140 1HB HYP 17 1HB HYP 17 -13.495 -0.450 -18.109 141 2HB HYP 17 2HB HYP 17 -12.950 -2.101 -17.889 142 1HD HYP 17 1HD1 HYP 17 -9.834 0.617 -17.595 143 2HD HYP 17 2HD1 HYP 17 -9.633 -1.076 -17.136 144 HOD HYP 17 HD2 HYP 17 -11.180 0.371 -20.007 145 HG HYP 17 HG HYP 17 -11.020 -1.509 -19.054 146 H MET 18 H MET 18 -10.526 -1.998 -15.221 147 HA MET 18 HA MET 18 -11.343 -4.610 -14.855 148 1HB MET 18 2HB MET 18 -9.295 -2.853 -13.612 149 2HB MET 18 1HB MET 18 -9.736 -4.205 -12.601 150 1HG MET 18 2HG MET 18 -9.455 -5.372 -15.129 151 2HG MET 18 1HG MET 18 -8.213 -4.166 -15.097 152 1HE MET 18 2HE MET 18 -9.786 -6.750 -12.603 153 2HE MET 18 1HE MET 18 -9.343 -7.634 -14.084 154 3HE MET 18 3HE MET 18 -8.501 -7.941 -12.577 155 H LYS 19 H LYS 19 -12.006 -5.880 -13.171 156 HA LYS 19 HA LYS 19 -14.374 -5.115 -11.851 157 1HB LYS 19 2HB LYS 19 -12.415 -7.372 -11.282 158 2HB LYS 19 1HB LYS 19 -13.967 -7.235 -10.476 159 1HG LYS 19 2HG LYS 19 -15.130 -7.311 -12.682 160 2HG LYS 19 1HG LYS 19 -13.582 -7.410 -13.497 161 1HD LYS 19 2HD LYS 19 -14.280 -9.669 -13.383 162 2HD LYS 19 1HD LYS 19 -13.136 -9.533 -12.064 163 1HE LYS 19 2HE LYS 19 -14.958 -9.320 -10.433 164 2HE LYS 19 1HE LYS 19 -16.155 -9.226 -11.718 165 1HZ LYS 19 3HZ LYS 19 -14.368 -11.553 -11.387 166 2HZ LYS 19 2HZ LYS 19 -15.870 -11.433 -10.607 167 3HZ LYS 19 1HZ LYS 19 -15.793 -11.439 -12.303 168 H CYS 20 H CYS 20 -11.134 -5.541 -10.443 169 HA CYS 20 HA CYS 20 -11.805 -4.726 -7.826 170 1HB CYS 20 2HB CYS 20 -9.502 -4.753 -7.399 171 2HB CYS 20 1HB CYS 20 -9.709 -5.902 -8.681 172 H CYS 21 H CYS 21 -11.363 -2.902 -10.662 173 HA CYS 21 HA CYS 21 -11.300 -0.320 -9.146 174 1HB CYS 21 2HB CYS 21 -10.424 -0.832 -11.986 175 2HB CYS 21 1HB CYS 21 -10.225 0.650 -11.093 176 H ALA 22 H ALA 22 -13.585 -2.096 -10.077 177 HA ALA 22 HA ALA 22 -14.948 -0.691 -12.191 178 1HB ALA 22 3HB ALA 22 -15.981 -2.602 -10.058 179 2HB ALA 22 2HB ALA 22 -16.918 -2.059 -11.443 180 3HB ALA 22 1HB ALA 22 -15.474 -3.028 -11.686 No H/Q in entry = 180 Start of MODEL 14 1 1H ARG 1 1H ARG 1 -3.692 -7.384 -12.921 2 2H ARG 1 3H ARG 1 -3.820 -6.559 -14.399 3 3H ARG 1 2H ARG 1 -4.127 -8.229 -14.330 4 HA ARG 1 HA ARG 1 -1.850 -8.687 -13.802 5 1HB ARG 1 2HB ARG 1 -2.660 -8.287 -16.247 6 2HB ARG 1 1HB ARG 1 -1.916 -6.714 -16.126 7 1HG ARG 1 2HG ARG 1 -0.124 -7.897 -17.012 8 2HG ARG 1 1HG ARG 1 0.218 -8.114 -15.311 9 1HD ARG 1 2HD ARG 1 -1.550 -10.239 -15.897 10 2HD ARG 1 1HD ARG 1 -0.553 -10.111 -17.340 11 HE ARG 1 HE ARG 1 1.439 -10.387 -15.894 12 1HH1 ARG 1 1HH2 ARG 1 0.928 -9.887 -13.243 13 2HH1 ARG 1 2HH2 ARG 1 0.373 -11.368 -12.543 14 1HH2 ARG 1 1HH1 ARG 1 -0.391 -12.791 -15.647 15 2HH2 ARG 1 2HH1 ARG 1 -0.388 -13.056 -13.935 16 H ASP 2 H ASP 2 -0.952 -7.821 -12.006 17 HA ASP 2 HA ASP 2 0.250 -6.387 -10.621 18 1HB ASP 2 2HB ASP 2 1.241 -5.509 -13.385 19 2HB ASP 2 1HB ASP 2 1.972 -4.961 -11.889 20 H CYS 3 H CYS 3 -2.374 -5.591 -11.633 21 HA CYS 3 HA CYS 3 -2.310 -2.622 -11.232 22 1HB CYS 3 2HB CYS 3 -4.019 -4.505 -12.847 23 2HB CYS 3 1HB CYS 3 -4.754 -3.064 -12.220 24 H CYS 4 H CYS 4 -4.430 -5.422 -10.741 25 HA CYS 4 HA CYS 4 -5.697 -4.164 -8.442 26 1HB CYS 4 2HB CYS 4 -5.910 -6.966 -9.565 27 2HB CYS 4 1HB CYS 4 -6.937 -6.303 -8.325 28 H THR 5 H THR 5 -2.784 -5.601 -8.782 29 HA THR 5 HA THR 5 -2.599 -7.393 -6.590 30 HB THR 5 HB THR 5 -0.029 -6.592 -6.741 31 HG1 THR 5 HG1 THR 5 -1.288 -5.525 -9.050 32 1HG2 THR 5 3HG2 THR 5 -1.524 -7.827 -9.122 33 2HG2 THR 5 2HG2 THR 5 0.221 -7.869 -8.908 34 3HG2 THR 5 1HG2 THR 5 -0.820 -8.726 -7.788 35 HA HYP 6 HA HYP 6 -3.093 -4.436 -3.330 36 1HB HYP 6 1HB HYP 6 -3.565 -5.888 -1.670 37 2HB HYP 6 2HB HYP 6 -1.855 -5.968 -1.275 38 1HD HYP 6 1HD1 HYP 6 -3.374 -7.787 -4.628 39 2HD HYP 6 2HD1 HYP 6 -1.614 -7.986 -4.591 40 HOD HYP 6 HD2 HYP 6 -3.675 -9.070 -2.582 41 HG HYP 6 HG HYP 6 -1.668 -8.106 -2.243 42 HA HYP 7 HA HYP 7 -2.938 -2.747 -2.140 43 1HB HYP 7 1HB HYP 7 -2.283 -0.869 -1.058 44 2HB HYP 7 2HB HYP 7 -1.916 -0.108 -2.598 45 1HD HYP 7 1HD1 HYP 7 0.847 -3.013 -1.602 46 2HD HYP 7 2HD1 HYP 7 0.906 -2.248 -3.195 47 HOD HYP 7 HD2 HYP 7 0.853 -1.296 -0.088 48 HG HYP 7 HG HYP 7 0.386 -0.262 -2.031 49 H ARG 8 H ARG 8 -4.500 -2.416 -3.629 50 HA ARG 8 HA ARG 8 -4.198 -2.728 -6.357 51 1HB ARG 8 2HB ARG 8 -6.338 -1.211 -4.831 52 2HB ARG 8 1HB ARG 8 -6.459 -1.623 -6.526 53 1HG ARG 8 2HG ARG 8 -5.727 -4.052 -5.215 54 2HG ARG 8 1HG ARG 8 -6.907 -3.300 -4.170 55 1HD ARG 8 2HD ARG 8 -8.221 -2.931 -6.503 56 2HD ARG 8 1HD ARG 8 -7.227 -4.299 -6.986 57 HE ARG 8 HE ARG 8 -8.399 -5.675 -5.447 58 1HH1 ARG 8 1HH2 ARG 8 -8.576 -4.275 -3.011 59 2HH1 ARG 8 2HH2 ARG 8 -10.205 -3.691 -2.923 60 1HH2 ARG 8 2HH1 ARG 8 -10.747 -4.110 -6.362 61 2HH2 ARG 8 1HH1 ARG 8 -11.467 -3.596 -4.873 62 H LYS 9 H LYS 9 -3.201 -1.586 -7.820 63 HA LYS 9 HA LYS 9 -2.504 1.220 -7.451 64 1HB LYS 9 2HB LYS 9 -0.989 -0.475 -8.504 65 2HB LYS 9 1HB LYS 9 -2.107 -0.618 -9.842 66 1HG LYS 9 2HG LYS 9 -1.747 2.116 -9.800 67 2HG LYS 9 1HG LYS 9 -0.214 1.606 -9.136 68 1HD LYS 9 2HD LYS 9 -1.322 0.343 -11.670 69 2HD LYS 9 1HD LYS 9 -0.460 1.863 -11.725 70 1HE LYS 9 2HE LYS 9 1.232 0.251 -10.153 71 2HE LYS 9 1HE LYS 9 0.614 -0.855 -11.370 72 1HZ LYS 9 3HZ LYS 9 1.143 1.058 -12.963 73 2HZ LYS 9 2HZ LYS 9 2.162 1.611 -11.722 74 3HZ LYS 9 1HZ LYS 9 2.409 0.072 -12.404 75 H CYS 10 H CYS 10 -4.115 -0.469 -10.107 76 HA CYS 10 HA CYS 10 -5.713 0.203 -11.660 77 1HB CYS 10 2HB CYS 10 -6.798 1.609 -9.198 78 2HB CYS 10 1HB CYS 10 -7.697 1.365 -10.664 79 H LYS 11 H LYS 11 -3.383 2.085 -11.114 80 HA LYS 11 HA LYS 11 -4.426 4.752 -11.699 81 1HB LYS 11 2HB LYS 11 -2.276 4.227 -10.388 82 2HB LYS 11 1HB LYS 11 -1.547 3.775 -11.914 83 1HG LYS 11 2HG LYS 11 -0.904 6.018 -11.721 84 2HG LYS 11 1HG LYS 11 -2.323 6.155 -12.737 85 1HD LYS 11 2HD LYS 11 -3.712 6.690 -10.734 86 2HD LYS 11 1HD LYS 11 -2.303 6.510 -9.702 87 1HE LYS 11 2HE LYS 11 -1.180 8.370 -10.968 88 2HE LYS 11 1HE LYS 11 -2.650 8.577 -11.913 89 1HZ LYS 11 3HZ LYS 11 -2.607 8.714 -8.963 90 2HZ LYS 11 2HZ LYS 11 -2.396 10.074 -9.960 91 3HZ LYS 11 1HZ LYS 11 -3.849 9.196 -10.015 92 H ASP 12 H ASP 12 -2.605 2.277 -13.419 93 HA ASP 12 HA ASP 12 -2.413 3.577 -15.932 94 1HB ASP 12 2HB ASP 12 -2.371 0.678 -15.044 95 2HB ASP 12 1HB ASP 12 -2.322 1.062 -16.749 96 H ARG 13 H ARG 13 -3.818 3.854 -17.560 97 HA ARG 13 HA ARG 13 -6.603 3.651 -17.231 98 1HB ARG 13 2HB ARG 13 -4.883 3.748 -19.731 99 2HB ARG 13 1HB ARG 13 -6.633 3.835 -19.805 100 1HG ARG 13 2HG ARG 13 -6.727 5.965 -18.917 101 2HG ARG 13 1HG ARG 13 -5.370 5.710 -17.842 102 1HD ARG 13 2HD ARG 13 -4.815 7.360 -19.637 103 2HD ARG 13 1HD ARG 13 -3.781 5.941 -19.718 104 HE ARG 13 HE ARG 13 -4.742 5.421 -21.799 105 1HH1 ARG 13 1HH2 ARG 13 -7.544 5.229 -21.015 106 2HH1 ARG 13 2HH2 ARG 13 -8.296 6.542 -21.859 107 1HH2 ARG 13 2HH1 ARG 13 -5.248 8.161 -22.458 108 2HH2 ARG 13 1HH1 ARG 13 -6.961 8.246 -22.696 109 H ARG 14 H ARG 14 -4.317 1.323 -18.280 110 HA ARG 14 HA ARG 14 -5.863 -0.557 -19.632 111 1HB ARG 14 2HB ARG 14 -3.309 -0.434 -19.178 112 2HB ARG 14 1HB ARG 14 -3.649 -1.302 -17.695 113 1HG ARG 14 2HG ARG 14 -4.670 -3.155 -19.003 114 2HG ARG 14 1HG ARG 14 -4.415 -2.261 -20.492 115 1HD ARG 14 2HD ARG 14 -2.573 -3.815 -20.320 116 2HD ARG 14 1HD ARG 14 -1.904 -2.241 -19.910 117 HE ARG 14 HE ARG 14 -2.119 -2.893 -17.503 118 1HH1 ARG 14 1HH1 ARG 14 -2.757 -6.615 -18.061 119 2HH1 ARG 14 2HH1 ARG 14 -3.853 -5.317 -18.399 120 1HH2 ARG 14 1HH2 ARG 14 -0.003 -4.471 -17.740 121 2HH2 ARG 14 2HH2 ARG 14 -0.522 -6.123 -17.679 122 H CYS 15 H CYS 15 -5.660 0.024 -16.178 123 HA CYS 15 HA CYS 15 -7.497 -2.273 -15.673 124 1HB CYS 15 2HB CYS 15 -6.674 -1.488 -13.182 125 2HB CYS 15 1HB CYS 15 -6.002 -2.757 -14.141 126 H LYS 16 H LYS 16 -8.023 0.773 -16.397 127 HA LYS 16 HA LYS 16 -9.463 1.777 -14.123 128 1HB LYS 16 2HB LYS 16 -9.312 2.492 -17.055 129 2HB LYS 16 1HB LYS 16 -10.659 3.126 -16.134 130 1HG LYS 16 2HG LYS 16 -9.090 4.103 -14.484 131 2HG LYS 16 1HG LYS 16 -7.733 3.392 -15.331 132 1HD LYS 16 2HD LYS 16 -7.714 5.553 -16.233 133 2HD LYS 16 1HD LYS 16 -8.686 4.727 -17.431 134 1HE LYS 16 2HE LYS 16 -9.899 6.728 -16.901 135 2HE LYS 16 1HE LYS 16 -10.749 5.465 -16.024 136 1HZ LYS 16 3HZ LYS 16 -8.558 6.648 -14.578 137 2HZ LYS 16 2HZ LYS 16 -9.819 7.728 -14.941 138 3HZ LYS 16 1HZ LYS 16 -10.144 6.305 -14.073 139 HA HYP 17 HA HYP 17 -13.382 -0.081 -16.063 140 1HB HYP 17 1HB HYP 17 -13.517 -0.386 -18.328 141 2HB HYP 17 2HB HYP 17 -12.991 -2.039 -18.079 142 1HD HYP 17 1HD1 HYP 17 -9.877 0.670 -17.704 143 2HD HYP 17 2HD1 HYP 17 -9.701 -1.017 -17.211 144 HOD HYP 17 HD2 HYP 17 -12.268 0.309 -19.978 145 HG HYP 17 HG HYP 17 -11.013 -1.466 -19.178 146 H MET 18 H MET 18 -10.624 -1.993 -15.444 147 HA MET 18 HA MET 18 -11.505 -4.580 -15.039 148 1HB MET 18 2HB MET 18 -9.520 -2.891 -13.528 149 2HB MET 18 1HB MET 18 -9.824 -4.536 -13.024 150 1HG MET 18 2HG MET 18 -9.164 -3.817 -15.879 151 2HG MET 18 1HG MET 18 -7.952 -4.202 -14.696 152 1HE MET 18 3HE MET 18 -8.356 -6.529 -13.164 153 2HE MET 18 2HE MET 18 -8.020 -7.887 -14.220 154 3HE MET 18 1HE MET 18 -7.004 -6.458 -14.322 155 H LYS 19 H LYS 19 -12.473 -5.760 -13.510 156 HA LYS 19 HA LYS 19 -14.646 -4.758 -12.072 157 1HB LYS 19 2HB LYS 19 -13.178 -7.320 -12.238 158 2HB LYS 19 1HB LYS 19 -13.921 -7.100 -10.674 159 1HG LYS 19 2HG LYS 19 -15.613 -6.497 -13.107 160 2HG LYS 19 1HG LYS 19 -15.247 -8.169 -12.761 161 1HD LYS 19 2HD LYS 19 -17.306 -7.725 -11.623 162 2HD LYS 19 1HD LYS 19 -16.086 -7.772 -10.368 163 1HE LYS 19 2HE LYS 19 -16.006 -5.323 -10.283 164 2HE LYS 19 1HE LYS 19 -17.072 -5.193 -11.675 165 1HZ LYS 19 2HZ LYS 19 -17.896 -6.608 -9.226 166 2HZ LYS 19 1HZ LYS 19 -18.041 -4.921 -9.386 167 3HZ LYS 19 3HZ LYS 19 -18.867 -5.951 -10.456 168 H CYS 20 H CYS 20 -11.460 -5.624 -10.729 169 HA CYS 20 HA CYS 20 -12.024 -4.924 -8.057 170 1HB CYS 20 2HB CYS 20 -9.766 -5.211 -7.669 171 2HB CYS 20 1HB CYS 20 -9.942 -6.081 -9.162 172 H CYS 21 H CYS 21 -11.284 -2.982 -10.804 173 HA CYS 21 HA CYS 21 -11.148 -0.488 -9.161 174 1HB CYS 21 2HB CYS 21 -10.492 -0.678 -12.083 175 2HB CYS 21 1HB CYS 21 -9.933 0.498 -10.929 176 H ALA 22 H ALA 22 -13.585 -1.943 -9.782 177 HA ALA 22 HA ALA 22 -15.142 0.274 -10.921 178 1HB ALA 22 3HB ALA 22 -15.132 -2.505 -12.195 179 2HB ALA 22 2HB ALA 22 -16.279 -1.237 -12.592 180 3HB ALA 22 1HB ALA 22 -14.573 -1.021 -12.946 No H/Q in entry = 180 Start of MODEL 15 1 1H ARG 1 1H ARG 1 0.084 -4.656 -15.874 2 2H ARG 1 3H ARG 1 -0.081 -6.048 -16.834 3 3H ARG 1 2H ARG 1 -1.348 -5.565 -15.810 4 HA ARG 1 HA ARG 1 -0.347 -7.330 -14.707 5 1HB ARG 1 2HB ARG 1 2.178 -7.298 -14.297 6 2HB ARG 1 1HB ARG 1 1.701 -7.576 -15.957 7 1HG ARG 1 2HG ARG 1 2.106 -5.188 -16.506 8 2HG ARG 1 1HG ARG 1 2.534 -4.859 -14.837 9 1HD ARG 1 2HD ARG 1 4.053 -7.079 -16.204 10 2HD ARG 1 1HD ARG 1 4.401 -5.434 -16.711 11 HE ARG 1 HE ARG 1 5.286 -4.970 -14.555 12 1HH1 ARG 1 1HH2 ARG 1 3.501 -5.928 -12.639 13 2HH1 ARG 1 2HH2 ARG 1 4.191 -7.394 -12.031 14 1HH2 ARG 1 1HH1 ARG 1 6.335 -7.753 -14.778 15 2HH2 ARG 1 2HH1 ARG 1 5.837 -8.454 -13.274 16 H ASP 2 H ASP 2 0.144 -7.373 -12.517 17 HA ASP 2 HA ASP 2 -0.145 -6.588 -10.350 18 1HB ASP 2 2HB ASP 2 2.139 -5.113 -11.608 19 2HB ASP 2 1HB ASP 2 1.576 -4.430 -10.099 20 H CYS 3 H CYS 3 -2.158 -5.784 -11.946 21 HA CYS 3 HA CYS 3 -2.740 -2.931 -11.566 22 1HB CYS 3 2HB CYS 3 -4.119 -5.296 -12.811 23 2HB CYS 3 1HB CYS 3 -5.097 -3.930 -12.368 24 H CYS 4 H CYS 4 -4.558 -5.821 -10.703 25 HA CYS 4 HA CYS 4 -5.835 -4.498 -8.446 26 1HB CYS 4 2HB CYS 4 -6.010 -7.424 -9.103 27 2HB CYS 4 1HB CYS 4 -7.220 -6.395 -8.393 28 H THR 5 H THR 5 -2.832 -5.552 -8.651 29 HA THR 5 HA THR 5 -2.494 -7.374 -6.484 30 HB THR 5 HB THR 5 -0.700 -6.898 -8.228 31 HG1 THR 5 HG1 THR 5 -0.060 -6.337 -5.516 32 1HG2 THR 5 3HG2 THR 5 -1.046 -4.248 -7.952 33 2HG2 THR 5 2HG2 THR 5 -0.004 -4.436 -6.554 34 3HG2 THR 5 1HG2 THR 5 0.585 -4.859 -8.146 35 HA HYP 6 HA HYP 6 -3.317 -4.370 -3.230 36 1HB HYP 6 1HB HYP 6 -3.842 -5.809 -1.562 37 2HB HYP 6 2HB HYP 6 -2.144 -5.905 -1.129 38 1HD HYP 6 1HD1 HYP 6 -3.329 -7.846 -4.594 39 2HD HYP 6 2HD1 HYP 6 -1.580 -7.849 -4.301 40 HOD HYP 6 HD2 HYP 6 -4.278 -8.031 -1.423 41 HG HYP 6 HG HYP 6 -2.046 -8.095 -1.987 42 HA HYP 7 HA HYP 7 -3.188 -2.561 -2.286 43 1HB HYP 7 1HB HYP 7 -2.622 -0.645 -1.220 44 2HB HYP 7 2HB HYP 7 -1.871 -0.015 -2.678 45 1HD HYP 7 1HD1 HYP 7 0.454 -3.072 -1.202 46 2HD HYP 7 2HD1 HYP 7 0.775 -2.276 -2.748 47 HOD HYP 7 HD2 HYP 7 -1.077 -0.576 0.361 48 HG HYP 7 HG HYP 7 0.208 -0.305 -1.545 49 H ARG 8 H ARG 8 -4.504 -2.189 -3.982 50 HA ARG 8 HA ARG 8 -3.848 -2.597 -6.648 51 1HB ARG 8 2HB ARG 8 -6.117 -1.024 -5.405 52 2HB ARG 8 1HB ARG 8 -6.014 -1.364 -7.119 53 1HG ARG 8 2HG ARG 8 -5.629 -3.881 -6.218 54 2HG ARG 8 1HG ARG 8 -6.511 -3.253 -4.842 55 1HD ARG 8 2HD ARG 8 -8.360 -2.527 -6.337 56 2HD ARG 8 1HD ARG 8 -7.464 -3.106 -7.741 57 HE ARG 8 HE ARG 8 -7.732 -5.390 -6.913 58 1HH1 ARG 8 1HH2 ARG 8 -8.253 -4.087 -4.071 59 2HH1 ARG 8 2HH2 ARG 8 -9.877 -4.632 -3.814 60 1HH2 ARG 8 2HH1 ARG 8 -10.300 -5.590 -7.155 61 2HH2 ARG 8 1HH1 ARG 8 -11.065 -5.505 -5.604 62 H LYS 9 H LYS 9 -3.261 -1.464 -8.357 63 HA LYS 9 HA LYS 9 -2.022 1.149 -7.948 64 1HB LYS 9 2HB LYS 9 -1.194 -0.838 -9.446 65 2HB LYS 9 1HB LYS 9 -2.375 -0.293 -10.611 66 1HG LYS 9 2HG LYS 9 -0.720 1.099 -11.364 67 2HG LYS 9 1HG LYS 9 -1.131 2.111 -10.004 68 1HD LYS 9 2HD LYS 9 0.899 -0.153 -9.745 69 2HD LYS 9 1HD LYS 9 1.366 1.424 -10.344 70 1HE LYS 9 2HE LYS 9 0.358 2.430 -8.215 71 2HE LYS 9 1HE LYS 9 0.195 0.785 -7.609 72 1HZ LYS 9 1HZ LYS 9 2.606 0.519 -8.047 73 2HZ LYS 9 3HZ LYS 9 2.682 2.187 -8.362 74 3HZ LYS 9 2HZ LYS 9 2.220 1.634 -6.823 75 H CYS 10 H CYS 10 -4.468 -0.143 -10.112 76 HA CYS 10 HA CYS 10 -6.157 0.825 -11.372 77 1HB CYS 10 2HB CYS 10 -6.595 2.216 -8.719 78 2HB CYS 10 1HB CYS 10 -7.801 2.015 -9.962 79 H LYS 11 H LYS 11 -3.618 2.411 -11.337 80 HA LYS 11 HA LYS 11 -4.606 5.163 -11.836 81 1HB LYS 11 2HB LYS 11 -2.373 4.406 -10.544 82 2HB LYS 11 1HB LYS 11 -1.717 4.313 -12.164 83 1HG LYS 11 2HG LYS 11 -1.242 6.538 -11.551 84 2HG LYS 11 1HG LYS 11 -2.706 6.714 -12.490 85 1HD LYS 11 2HD LYS 11 -3.543 7.846 -10.691 86 2HD LYS 11 1HD LYS 11 -3.761 6.276 -9.952 87 1HE LYS 11 2HE LYS 11 -1.170 7.852 -9.696 88 2HE LYS 11 1HE LYS 11 -2.486 7.964 -8.537 89 1HZ LYS 11 3HZ LYS 11 -2.231 5.345 -8.640 90 2HZ LYS 11 2HZ LYS 11 -0.639 5.778 -9.040 91 3HZ LYS 11 1HZ LYS 11 -1.325 6.321 -7.585 92 H ASP 12 H ASP 12 -3.330 2.355 -13.370 93 HA ASP 12 HA ASP 12 -2.886 3.484 -15.984 94 1HB ASP 12 2HB ASP 12 -3.329 0.551 -15.391 95 2HB ASP 12 1HB ASP 12 -2.317 1.260 -16.624 96 H ARG 13 H ARG 13 -4.156 3.471 -17.750 97 HA ARG 13 HA ARG 13 -7.021 3.322 -17.432 98 1HB ARG 13 2HB ARG 13 -5.289 3.474 -19.935 99 2HB ARG 13 1HB ARG 13 -7.027 3.665 -19.935 100 1HG ARG 13 2HG ARG 13 -5.653 5.409 -17.943 101 2HG ARG 13 1HG ARG 13 -5.169 5.722 -19.595 102 1HD ARG 13 2HD ARG 13 -7.576 5.951 -20.246 103 2HD ARG 13 1HD ARG 13 -8.039 5.712 -18.562 104 HE ARG 13 HE ARG 13 -6.724 7.796 -18.041 105 1HH1 ARG 13 1HH2 ARG 13 -5.255 8.939 -19.863 106 2HH1 ARG 13 2HH2 ARG 13 -6.258 9.778 -20.999 107 1HH2 ARG 13 2HH1 ARG 13 -9.140 8.031 -20.057 108 2HH2 ARG 13 1HH1 ARG 13 -8.509 9.254 -21.111 109 H ARG 14 H ARG 14 -4.815 0.930 -17.603 110 HA ARG 14 HA ARG 14 -6.298 -1.002 -19.208 111 1HB ARG 14 2HB ARG 14 -3.738 -1.254 -17.569 112 2HB ARG 14 1HB ARG 14 -4.367 -2.507 -18.621 113 1HG ARG 14 2HG ARG 14 -3.860 0.254 -19.760 114 2HG ARG 14 1HG ARG 14 -2.504 -0.818 -19.485 115 1HD ARG 14 2HD ARG 14 -3.375 -2.488 -20.980 116 2HD ARG 14 1HD ARG 14 -4.954 -1.705 -21.053 117 HE ARG 14 HE ARG 14 -3.657 0.264 -22.100 118 1HH1 ARG 14 1HH2 ARG 14 -1.017 -0.459 -22.396 119 2HH1 ARG 14 2HH2 ARG 14 -0.909 -1.402 -23.846 120 1HH2 ARG 14 2HH1 ARG 14 -4.349 -2.060 -23.908 121 2HH2 ARG 14 1HH1 ARG 14 -2.846 -2.334 -24.724 122 H CYS 15 H CYS 15 -5.460 -0.278 -15.884 123 HA CYS 15 HA CYS 15 -6.893 -2.597 -14.788 124 1HB CYS 15 2HB CYS 15 -5.877 -0.270 -13.193 125 2HB CYS 15 1HB CYS 15 -6.006 -1.941 -12.732 126 H LYS 16 H LYS 16 -7.310 0.887 -14.981 127 HA LYS 16 HA LYS 16 -9.438 1.378 -13.329 128 1HB LYS 16 2HB LYS 16 -8.486 2.532 -15.927 129 2HB LYS 16 1HB LYS 16 -10.086 3.012 -15.419 130 1HG LYS 16 2HG LYS 16 -8.011 3.055 -13.270 131 2HG LYS 16 1HG LYS 16 -7.717 4.176 -14.576 132 1HD LYS 16 2HD LYS 16 -10.444 3.978 -13.250 133 2HD LYS 16 1HD LYS 16 -9.187 4.980 -12.565 134 1HE LYS 16 2HE LYS 16 -9.971 6.616 -13.966 135 2HE LYS 16 1HE LYS 16 -9.141 5.767 -15.259 136 1HZ LYS 16 3HZ LYS 16 -11.922 5.211 -14.417 137 2HZ LYS 16 2HZ LYS 16 -11.487 6.231 -15.707 138 3HZ LYS 16 1HZ LYS 16 -11.117 4.576 -15.776 139 HA HYP 17 HA HYP 17 -12.754 0.190 -16.542 140 1HB HYP 17 1HB HYP 17 -12.394 -0.187 -18.780 141 2HB HYP 17 2HB HYP 17 -11.714 -1.768 -18.435 142 1HD HYP 17 1HD1 HYP 17 -8.956 0.877 -17.017 143 2HD HYP 17 2HD1 HYP 17 -8.977 -0.879 -16.837 144 HOD HYP 17 HD2 HYP 17 -9.930 1.243 -19.716 145 HG HYP 17 HG HYP 17 -9.691 -0.765 -19.149 146 H MET 18 H MET 18 -10.336 -2.240 -15.868 147 HA MET 18 HA MET 18 -11.924 -4.559 -15.590 148 1HB MET 18 2HB MET 18 -9.440 -3.733 -13.989 149 2HB MET 18 1HB MET 18 -10.125 -5.336 -13.968 150 1HG MET 18 2HG MET 18 -9.739 -5.610 -16.340 151 2HG MET 18 1HG MET 18 -9.231 -3.955 -16.503 152 1HE MET 18 2HE MET 18 -8.364 -7.008 -14.165 153 2HE MET 18 1HE MET 18 -8.300 -7.553 -15.857 154 3HE MET 18 3HE MET 18 -6.839 -7.476 -14.889 155 H LYS 19 H LYS 19 -13.388 -5.202 -14.141 156 HA LYS 19 HA LYS 19 -14.691 -3.486 -12.362 157 1HB LYS 19 2HB LYS 19 -14.522 -6.520 -12.251 158 2HB LYS 19 1HB LYS 19 -15.729 -5.551 -11.423 159 1HG LYS 19 2HG LYS 19 -16.355 -4.565 -13.715 160 2HG LYS 19 1HG LYS 19 -15.327 -5.779 -14.446 161 1HD LYS 19 2HD LYS 19 -17.637 -6.454 -12.571 162 2HD LYS 19 1HD LYS 19 -17.800 -6.375 -14.312 163 1HE LYS 19 2HE LYS 19 -15.806 -8.068 -14.387 164 2HE LYS 19 1HE LYS 19 -16.162 -8.338 -12.685 165 1HZ LYS 19 1HZ LYS 19 -18.586 -8.538 -13.689 166 2HZ LYS 19 3HZ LYS 19 -17.692 -9.048 -15.042 167 3HZ LYS 19 2HZ LYS 19 -17.525 -9.858 -13.558 168 H CYS 20 H CYS 20 -11.772 -5.252 -11.714 169 HA CYS 20 HA CYS 20 -11.934 -5.366 -8.883 170 1HB CYS 20 2HB CYS 20 -9.777 -6.144 -8.963 171 2HB CYS 20 1HB CYS 20 -10.267 -6.445 -10.602 172 H CYS 21 H CYS 21 -11.418 -2.709 -10.964 173 HA CYS 21 HA CYS 21 -10.549 -0.955 -8.706 174 1HB CYS 21 2HB CYS 21 -9.967 -0.854 -11.674 175 2HB CYS 21 1HB CYS 21 -9.711 0.520 -10.634 176 H ALA 22 H ALA 22 -12.435 -1.283 -11.652 177 HA ALA 22 HA ALA 22 -13.864 1.178 -11.493 178 1HB ALA 22 3HB ALA 22 -13.676 -0.628 -13.437 179 2HB ALA 22 2HB ALA 22 -15.123 -1.292 -12.703 180 3HB ALA 22 1HB ALA 22 -15.120 0.358 -13.299 No H/Q in entry = 180 Start of MODEL 16 1 1H ARG 1 1H ARG 1 1.331 -6.725 -15.111 2 2H ARG 1 3H ARG 1 1.292 -8.427 -15.108 3 3H ARG 1 2H ARG 1 0.709 -7.563 -16.454 4 HA ARG 1 HA ARG 1 -1.178 -6.854 -15.384 5 1HB ARG 1 2HB ARG 1 -1.185 -9.362 -15.697 6 2HB ARG 1 1HB ARG 1 -0.540 -9.559 -14.080 7 1HG ARG 1 2HG ARG 1 -2.548 -8.574 -13.080 8 2HG ARG 1 1HG ARG 1 -3.162 -8.095 -14.652 9 1HD ARG 1 2HD ARG 1 -2.610 -11.021 -14.036 10 2HD ARG 1 1HD ARG 1 -4.133 -10.266 -13.585 11 HE ARG 1 HE ARG 1 -4.378 -9.657 -16.039 12 1HH1 ARG 1 1HH1 ARG 1 -1.937 -10.428 -17.252 13 2HH1 ARG 1 2HH1 ARG 1 -2.172 -12.073 -17.745 14 1HH2 ARG 1 1HH2 ARG 1 -4.926 -12.522 -15.626 15 2HH2 ARG 1 2HH2 ARG 1 -3.910 -13.290 -16.800 16 H ASP 2 H ASP 2 -1.039 -5.179 -14.069 17 HA ASP 2 HA ASP 2 -0.808 -5.599 -11.174 18 1HB ASP 2 2HB ASP 2 0.905 -3.573 -11.125 19 2HB ASP 2 1HB ASP 2 1.521 -5.169 -11.491 20 H CYS 3 H CYS 3 -2.798 -4.925 -10.904 21 HA CYS 3 HA CYS 3 -3.403 -2.057 -11.205 22 1HB CYS 3 2HB CYS 3 -4.719 -4.254 -12.735 23 2HB CYS 3 1HB CYS 3 -5.735 -2.969 -12.145 24 H CYS 4 H CYS 4 -4.512 -5.245 -10.307 25 HA CYS 4 HA CYS 4 -6.066 -4.154 -8.026 26 1HB CYS 4 2HB CYS 4 -6.083 -6.956 -9.119 27 2HB CYS 4 1HB CYS 4 -7.268 -6.200 -8.098 28 H THR 5 H THR 5 -3.135 -5.559 -8.792 29 HA THR 5 HA THR 5 -2.708 -7.330 -6.606 30 HB THR 5 HB THR 5 -1.201 -7.338 -8.588 31 HG1 THR 5 HG1 THR 5 0.018 -6.497 -6.161 32 1HG2 THR 5 3HG2 THR 5 -1.160 -4.713 -8.837 33 2HG2 THR 5 2HG2 THR 5 0.008 -4.730 -7.525 34 3HG2 THR 5 1HG2 THR 5 0.369 -5.547 -9.034 35 HA HYP 6 HA HYP 6 -2.623 -4.294 -3.379 36 1HB HYP 6 1HB HYP 6 -2.763 -5.612 -1.552 37 2HB HYP 6 2HB HYP 6 -1.028 -5.857 -1.558 38 1HD HYP 6 1HD1 HYP 6 -3.026 -7.743 -4.631 39 2HD HYP 6 2HD1 HYP 6 -1.258 -7.856 -4.643 40 HOD HYP 6 HD2 HYP 6 -4.027 -7.103 -2.715 41 HG HYP 6 HG HYP 6 -1.384 -8.065 -2.282 42 HA HYP 7 HA HYP 7 -2.298 -2.555 -2.327 43 1HB HYP 7 1HB HYP 7 -1.528 -0.615 -1.435 44 2HB HYP 7 2HB HYP 7 -1.229 0.034 -3.042 45 1HD HYP 7 1HD1 HYP 7 1.461 -2.935 -2.082 46 2HD HYP 7 2HD1 HYP 7 1.473 -2.223 -3.699 47 HOD HYP 7 HD2 HYP 7 1.635 -1.163 -0.634 48 HG HYP 7 HG HYP 7 1.093 -0.183 -2.589 49 H ARG 8 H ARG 8 -4.004 -2.210 -3.657 50 HA ARG 8 HA ARG 8 -4.151 -2.764 -6.311 51 1HB ARG 8 2HB ARG 8 -5.783 -1.078 -4.455 52 2HB ARG 8 1HB ARG 8 -6.137 -0.891 -6.145 53 1HG ARG 8 2HG ARG 8 -5.905 -3.730 -5.606 54 2HG ARG 8 1HG ARG 8 -6.903 -3.032 -4.351 55 1HD ARG 8 2HD ARG 8 -8.497 -2.183 -5.908 56 2HD ARG 8 1HD ARG 8 -7.388 -2.392 -7.260 57 HE ARG 8 HE ARG 8 -7.967 -4.635 -7.373 58 1HH1 ARG 8 2HH1 ARG 8 -7.537 -6.071 -5.169 59 2HH1 ARG 8 1HH1 ARG 8 -9.038 -6.252 -4.323 60 1HH2 ARG 8 1HH2 ARG 8 -10.532 -3.569 -6.017 61 2HH2 ARG 8 2HH2 ARG 8 -10.782 -4.793 -4.816 62 H LYS 9 H LYS 9 -3.050 -2.085 -7.889 63 HA LYS 9 HA LYS 9 -2.038 0.660 -8.172 64 1HB LYS 9 2HB LYS 9 -0.721 -1.463 -8.650 65 2HB LYS 9 1HB LYS 9 -1.739 -1.739 -10.032 66 1HG LYS 9 2HG LYS 9 -0.319 -0.467 -11.257 67 2HG LYS 9 1HG LYS 9 -0.891 0.941 -10.383 68 1HD LYS 9 2HD LYS 9 0.849 0.515 -8.620 69 2HD LYS 9 1HD LYS 9 1.445 -0.837 -9.567 70 1HE LYS 9 2HE LYS 9 1.782 0.799 -11.505 71 2HE LYS 9 1HE LYS 9 1.431 2.096 -10.370 72 1HZ LYS 9 2HZ LYS 9 3.233 1.066 -8.953 73 2HZ LYS 9 1HZ LYS 9 3.676 0.194 -10.341 74 3HZ LYS 9 3HZ LYS 9 3.720 1.892 -10.356 75 H CYS 10 H CYS 10 -4.735 0.728 -8.183 76 HA CYS 10 HA CYS 10 -5.854 0.684 -10.874 77 1HB CYS 10 2HB CYS 10 -6.916 1.692 -8.231 78 2HB CYS 10 1HB CYS 10 -7.847 1.692 -9.704 79 H LYS 11 H LYS 11 -3.877 2.160 -11.316 80 HA LYS 11 HA LYS 11 -4.830 4.989 -11.485 81 1HB LYS 11 2HB LYS 11 -1.944 4.045 -11.095 82 2HB LYS 11 1HB LYS 11 -2.474 5.714 -11.230 83 1HG LYS 11 2HG LYS 11 -3.950 5.276 -9.159 84 2HG LYS 11 1HG LYS 11 -3.092 3.757 -8.975 85 1HD LYS 11 2HD LYS 11 -0.984 4.856 -8.621 86 2HD LYS 11 1HD LYS 11 -1.600 6.401 -9.179 87 1HE LYS 11 2HE LYS 11 -3.211 6.370 -7.194 88 2HE LYS 11 1HE LYS 11 -2.338 4.963 -6.598 89 1HZ LYS 11 2HZ LYS 11 -0.338 6.652 -7.113 90 2HZ LYS 11 1HZ LYS 11 -1.561 7.735 -6.652 91 3HZ LYS 11 3HZ LYS 11 -1.093 6.488 -5.600 92 H ASP 12 H ASP 12 -3.375 2.197 -12.839 93 HA ASP 12 HA ASP 12 -2.486 3.333 -15.337 94 1HB ASP 12 2HB ASP 12 -2.919 0.515 -14.301 95 2HB ASP 12 1HB ASP 12 -2.497 0.809 -15.965 96 H ARG 13 H ARG 13 -3.431 3.215 -17.343 97 HA ARG 13 HA ARG 13 -6.293 3.424 -17.489 98 1HB ARG 13 2HB ARG 13 -4.059 3.211 -19.532 99 2HB ARG 13 1HB ARG 13 -5.729 3.179 -20.068 100 1HG ARG 13 2HG ARG 13 -6.077 5.332 -18.708 101 2HG ARG 13 1HG ARG 13 -4.336 5.393 -18.510 102 1HD ARG 13 2HD ARG 13 -3.965 5.687 -20.857 103 2HD ARG 13 1HD ARG 13 -5.599 5.179 -21.275 104 HE ARG 13 HE ARG 13 -4.818 7.816 -20.183 105 1HH1 ARG 13 2HH1 ARG 13 -7.364 6.723 -18.950 106 2HH1 ARG 13 1HH1 ARG 13 -8.571 7.386 -20.002 107 1HH2 ARG 13 1HH2 ARG 13 -6.249 8.180 -22.500 108 2HH2 ARG 13 2HH2 ARG 13 -7.923 8.231 -22.059 109 H ARG 14 H ARG 14 -4.215 0.805 -17.378 110 HA ARG 14 HA ARG 14 -5.706 -1.144 -18.861 111 1HB ARG 14 2HB ARG 14 -3.575 -1.478 -16.718 112 2HB ARG 14 1HB ARG 14 -4.108 -2.741 -17.802 113 1HG ARG 14 2HG ARG 14 -2.477 -2.078 -19.250 114 2HG ARG 14 1HG ARG 14 -3.429 -0.643 -19.567 115 1HD ARG 14 2HD ARG 14 -2.193 0.682 -18.037 116 2HD ARG 14 1HD ARG 14 -1.555 -0.724 -17.181 117 HE ARG 14 HE ARG 14 -0.274 -1.192 -19.354 118 1HH1 ARG 14 2HH1 ARG 14 -0.343 0.481 -21.308 119 2HH1 ARG 14 1HH1 ARG 14 0.481 1.949 -20.886 120 1HH2 ARG 14 1HH2 ARG 14 0.352 1.300 -17.461 121 2HH2 ARG 14 2HH2 ARG 14 0.894 2.407 -18.670 122 H CYS 15 H CYS 15 -5.862 0.164 -15.688 123 HA CYS 15 HA CYS 15 -7.465 -2.032 -14.563 124 1HB CYS 15 2HB CYS 15 -7.070 0.486 -13.057 125 2HB CYS 15 1HB CYS 15 -6.972 -1.177 -12.544 126 H LYS 16 H LYS 16 -7.904 1.119 -15.887 127 HA LYS 16 HA LYS 16 -10.304 1.972 -14.773 128 1HB LYS 16 2HB LYS 16 -9.071 2.265 -17.510 129 2HB LYS 16 1HB LYS 16 -10.731 2.773 -17.332 130 1HG LYS 16 2HG LYS 16 -8.687 3.687 -15.292 131 2HG LYS 16 1HG LYS 16 -8.726 4.456 -16.865 132 1HD LYS 16 2HD LYS 16 -11.197 4.909 -16.528 133 2HD LYS 16 1HD LYS 16 -11.053 4.272 -14.902 134 1HE LYS 16 2HE LYS 16 -10.273 6.271 -14.153 135 2HE LYS 16 1HE LYS 16 -8.951 6.243 -15.306 136 1HZ LYS 16 1HZ LYS 16 -10.462 7.126 -16.980 137 2HZ LYS 16 3HZ LYS 16 -11.700 7.212 -15.818 138 3HZ LYS 16 2HZ LYS 16 -10.301 8.159 -15.642 139 HA HYP 17 HA HYP 17 -12.902 -0.908 -17.495 140 1HB HYP 17 1HB HYP 17 -12.076 -1.588 -19.542 141 2HB HYP 17 2HB HYP 17 -11.528 -3.045 -18.737 142 1HD HYP 17 1HD1 HYP 17 -9.115 0.224 -17.882 143 2HD HYP 17 2HD1 HYP 17 -9.018 -1.308 -16.999 144 HOD HYP 17 HD2 HYP 17 -9.214 0.012 -19.775 145 HG HYP 17 HG HYP 17 -9.337 -2.309 -19.138 146 H MET 18 H MET 18 -10.168 -2.398 -15.869 147 HA MET 18 HA MET 18 -11.216 -4.847 -15.051 148 1HB MET 18 2HB MET 18 -9.285 -2.977 -13.652 149 2HB MET 18 1HB MET 18 -9.680 -4.556 -13.025 150 1HG MET 18 2HG MET 18 -8.634 -4.017 -15.805 151 2HG MET 18 1HG MET 18 -7.698 -4.561 -14.453 152 1HE MET 18 3HE MET 18 -7.259 -6.820 -13.777 153 2HE MET 18 2HE MET 18 -8.877 -6.851 -13.034 154 3HE MET 18 1HE MET 18 -8.327 -8.186 -14.034 155 H LYS 19 H LYS 19 -12.720 -5.488 -13.836 156 HA LYS 19 HA LYS 19 -14.641 -3.869 -12.534 157 1HB LYS 19 2HB LYS 19 -15.410 -6.063 -11.492 158 2HB LYS 19 1HB LYS 19 -15.278 -6.068 -13.237 159 1HG LYS 19 2HG LYS 19 -13.128 -7.256 -13.142 160 2HG LYS 19 1HG LYS 19 -13.052 -7.072 -11.403 161 1HD LYS 19 2HD LYS 19 -13.814 -9.269 -11.620 162 2HD LYS 19 1HD LYS 19 -15.313 -8.402 -11.364 163 1HE LYS 19 2HE LYS 19 -15.679 -8.352 -13.851 164 2HE LYS 19 1HE LYS 19 -14.181 -9.246 -14.072 165 1HZ LYS 19 2HZ LYS 19 -16.413 -10.232 -12.408 166 2HZ LYS 19 1HZ LYS 19 -16.251 -10.591 -14.059 167 3HZ LYS 19 3HZ LYS 19 -15.060 -11.098 -12.960 168 H CYS 20 H CYS 20 -11.697 -5.238 -11.219 169 HA CYS 20 HA CYS 20 -12.343 -5.088 -8.472 170 1HB CYS 20 2HB CYS 20 -10.095 -5.457 -8.060 171 2HB CYS 20 1HB CYS 20 -10.302 -6.147 -9.639 172 H CYS 21 H CYS 21 -11.302 -2.646 -10.723 173 HA CYS 21 HA CYS 21 -11.035 -0.600 -8.576 174 1HB CYS 21 2HB CYS 21 -10.521 -0.276 -11.535 175 2HB CYS 21 1HB CYS 21 -9.999 0.770 -10.246 176 H ALA 22 H ALA 22 -12.723 -1.196 -11.631 177 HA ALA 22 HA ALA 22 -14.368 1.134 -11.578 178 1HB ALA 22 3HB ALA 22 -14.785 -1.551 -12.958 179 2HB ALA 22 2HB ALA 22 -15.688 -0.086 -13.317 180 3HB ALA 22 1HB ALA 22 -13.964 -0.157 -13.639 No H/Q in entry = 180 Start of MODEL 17 1 1H ARG 1 1H ARG 1 4.235 -8.920 -11.632 2 2H ARG 1 3H ARG 1 4.873 -7.785 -12.724 3 3H ARG 1 2H ARG 1 5.587 -7.988 -11.196 4 HA ARG 1 HA ARG 1 3.800 -7.026 -10.083 5 1HB ARG 1 2HB ARG 1 4.568 -5.566 -12.641 6 2HB ARG 1 1HB ARG 1 3.461 -4.826 -11.499 7 1HG ARG 1 2HG ARG 1 5.252 -5.281 -9.685 8 2HG ARG 1 1HG ARG 1 6.344 -5.661 -11.004 9 1HD ARG 1 2HD ARG 1 6.657 -3.315 -10.452 10 2HD ARG 1 1HD ARG 1 5.797 -3.356 -11.988 11 HE ARG 1 HE ARG 1 3.776 -3.281 -10.080 12 1HH1 ARG 1 1HH2 ARG 1 6.345 -1.744 -8.970 13 2HH1 ARG 1 2HH2 ARG 1 5.803 -0.117 -9.219 14 1HH2 ARG 1 1HH1 ARG 1 3.120 -1.103 -11.244 15 2HH2 ARG 1 2HH1 ARG 1 3.936 0.254 -10.540 16 H ASP 2 H ASP 2 1.752 -5.818 -10.317 17 HA ASP 2 HA ASP 2 -0.110 -6.614 -12.428 18 1HB ASP 2 2HB ASP 2 0.014 -8.576 -10.697 19 2HB ASP 2 1HB ASP 2 -0.729 -7.465 -9.564 20 H CYS 3 H CYS 3 -2.336 -5.748 -11.854 21 HA CYS 3 HA CYS 3 -1.996 -3.027 -10.713 22 1HB CYS 3 2HB CYS 3 -3.797 -4.251 -12.754 23 2HB CYS 3 1HB CYS 3 -4.412 -2.897 -11.852 24 H CYS 4 H CYS 4 -4.132 -5.841 -10.474 25 HA CYS 4 HA CYS 4 -5.751 -4.604 -8.386 26 1HB CYS 4 2HB CYS 4 -5.631 -7.427 -9.432 27 2HB CYS 4 1HB CYS 4 -6.802 -6.833 -8.285 28 H THR 5 H THR 5 -2.775 -6.217 -8.418 29 HA THR 5 HA THR 5 -2.857 -7.720 -6.036 30 HB THR 5 HB THR 5 -0.896 -7.885 -7.515 31 HG1 THR 5 HG1 THR 5 -0.588 -6.910 -4.899 32 1HG2 THR 5 2HG2 THR 5 -0.924 -5.236 -7.995 33 2HG2 THR 5 1HG2 THR 5 0.075 -5.159 -6.553 34 3HG2 THR 5 3HG2 THR 5 0.614 -6.080 -7.947 35 HA HYP 6 HA HYP 6 -3.667 -4.404 -3.222 36 1HB HYP 6 1HB HYP 6 -4.497 -5.641 -1.522 37 2HB HYP 6 2HB HYP 6 -2.884 -5.771 -0.845 38 1HD HYP 6 1HD1 HYP 6 -3.848 -7.924 -4.222 39 2HD HYP 6 2HD1 HYP 6 -2.135 -8.097 -3.794 40 HOD HYP 6 HD2 HYP 6 -4.950 -8.038 -1.122 41 HG HYP 6 HG HYP 6 -2.750 -8.022 -1.505 42 HA HYP 7 HA HYP 7 -3.596 -2.621 -2.214 43 1HB HYP 7 1HB HYP 7 -2.990 -0.738 -1.112 44 2HB HYP 7 2HB HYP 7 -2.378 -0.077 -2.619 45 1HD HYP 7 1HD1 HYP 7 0.042 -3.021 -1.004 46 2HD HYP 7 2HD1 HYP 7 0.399 -2.415 -2.625 47 HOD HYP 7 HD2 HYP 7 -0.290 -0.487 0.318 48 HG HYP 7 HG HYP 7 -0.177 -0.303 -1.767 49 H ARG 8 H ARG 8 -4.850 -2.097 -3.986 50 HA ARG 8 HA ARG 8 -4.089 -2.712 -6.576 51 1HB ARG 8 2HB ARG 8 -6.264 -0.825 -5.601 52 2HB ARG 8 1HB ARG 8 -6.142 -1.403 -7.250 53 1HG ARG 8 2HG ARG 8 -6.067 -3.799 -6.140 54 2HG ARG 8 1HG ARG 8 -6.733 -2.987 -4.741 55 1HD ARG 8 2HD ARG 8 -8.214 -2.190 -7.157 56 2HD ARG 8 1HD ARG 8 -8.145 -3.940 -7.016 57 HE ARG 8 HE ARG 8 -9.371 -3.819 -4.983 58 1HH1 ARG 8 1HH2 ARG 8 -7.825 -1.117 -4.394 59 2HH1 ARG 8 2HH2 ARG 8 -9.186 -0.063 -4.188 60 1HH2 ARG 8 2HH1 ARG 8 -11.445 -2.361 -5.546 61 2HH2 ARG 8 1HH1 ARG 8 -11.277 -0.783 -4.852 62 H LYS 9 H LYS 9 -4.105 -1.348 -8.466 63 HA LYS 9 HA LYS 9 -2.443 1.109 -8.147 64 1HB LYS 9 2HB LYS 9 -1.374 -0.883 -9.224 65 2HB LYS 9 1HB LYS 9 -2.609 -0.876 -10.463 66 1HG LYS 9 2HG LYS 9 -1.874 1.341 -11.241 67 2HG LYS 9 1HG LYS 9 -0.707 1.446 -9.933 68 1HD LYS 9 2HD LYS 9 0.411 -0.636 -10.823 69 2HD LYS 9 1HD LYS 9 -0.707 -0.632 -12.171 70 1HE LYS 9 2HE LYS 9 1.198 0.490 -13.030 71 2HE LYS 9 1HE LYS 9 0.142 1.823 -12.579 72 1HZ LYS 9 3HZ LYS 9 2.126 0.723 -10.698 73 2HZ LYS 9 2HZ LYS 9 2.538 1.916 -11.835 74 3HZ LYS 9 1HZ LYS 9 1.348 2.232 -10.664 75 H CYS 10 H CYS 10 -4.410 -0.261 -10.728 76 HA CYS 10 HA CYS 10 -5.963 0.643 -12.174 77 1HB CYS 10 2HB CYS 10 -6.894 2.190 -9.775 78 2HB CYS 10 1HB CYS 10 -7.874 1.572 -11.080 79 H LYS 11 H LYS 11 -3.490 2.340 -11.502 80 HA LYS 11 HA LYS 11 -4.325 5.084 -12.055 81 1HB LYS 11 2HB LYS 11 -2.150 4.024 -10.799 82 2HB LYS 11 1HB LYS 11 -1.466 4.203 -12.402 83 1HG LYS 11 2HG LYS 11 -2.223 6.626 -12.376 84 2HG LYS 11 1HG LYS 11 -2.736 6.395 -10.711 85 1HD LYS 11 2HD LYS 11 -0.280 5.529 -10.315 86 2HD LYS 11 1HD LYS 11 0.077 6.288 -11.856 87 1HE LYS 11 2HE LYS 11 -0.847 8.460 -10.941 88 2HE LYS 11 1HE LYS 11 -1.052 7.667 -9.383 89 1HZ LYS 11 1HZ LYS 11 1.478 7.060 -9.943 90 2HZ LYS 11 3HZ LYS 11 1.352 8.577 -10.694 91 3HZ LYS 11 2HZ LYS 11 1.000 8.417 -9.040 92 H ASP 12 H ASP 12 -3.517 2.305 -13.770 93 HA ASP 12 HA ASP 12 -2.805 3.572 -16.307 94 1HB ASP 12 2HB ASP 12 -3.489 0.639 -16.140 95 2HB ASP 12 1HB ASP 12 -2.187 1.435 -16.990 96 H ARG 13 H ARG 13 -4.127 3.763 -18.050 97 HA ARG 13 HA ARG 13 -6.951 3.927 -17.662 98 1HB ARG 13 2HB ARG 13 -5.518 5.134 -19.421 99 2HB ARG 13 1HB ARG 13 -5.537 3.647 -20.346 100 1HG ARG 13 2HG ARG 13 -7.794 3.822 -20.886 101 2HG ARG 13 1HG ARG 13 -8.218 4.642 -19.397 102 1HD ARG 13 2HD ARG 13 -6.613 5.972 -21.622 103 2HD ARG 13 1HD ARG 13 -8.360 6.127 -21.439 104 HE ARG 13 HE ARG 13 -7.144 6.774 -18.947 105 1HH1 ARG 13 2HH1 ARG 13 -5.205 8.190 -20.589 106 2HH1 ARG 13 1HH1 ARG 13 -5.960 9.720 -20.896 107 1HH2 ARG 13 1HH2 ARG 13 -9.139 8.547 -19.996 108 2HH2 ARG 13 2HH2 ARG 13 -8.250 9.926 -20.550 109 H ARG 14 H ARG 14 -4.854 1.397 -18.689 110 HA ARG 14 HA ARG 14 -6.849 -0.337 -19.821 111 1HB ARG 14 2HB ARG 14 -4.203 -0.272 -20.118 112 2HB ARG 14 1HB ARG 14 -4.199 -1.294 -18.702 113 1HG ARG 14 2HG ARG 14 -4.257 -2.880 -20.436 114 2HG ARG 14 1HG ARG 14 -5.952 -2.759 -20.016 115 1HD ARG 14 2HD ARG 14 -5.734 -2.646 -22.460 116 2HD ARG 14 1HD ARG 14 -6.235 -1.060 -21.888 117 HE ARG 14 HE ARG 14 -4.006 -0.231 -22.311 118 1HH1 ARG 14 2HH1 ARG 14 -2.341 -2.537 -21.693 119 2HH1 ARG 14 1HH1 ARG 14 -1.859 -3.125 -23.250 120 1HH2 ARG 14 1HH2 ARG 14 -4.386 -1.364 -24.918 121 2HH2 ARG 14 2HH2 ARG 14 -3.047 -2.443 -25.124 122 H CYS 15 H CYS 15 -5.445 0.204 -16.706 123 HA CYS 15 HA CYS 15 -6.839 -2.079 -15.434 124 1HB CYS 15 2HB CYS 15 -4.812 -0.049 -14.481 125 2HB CYS 15 1HB CYS 15 -5.502 -1.270 -13.452 126 H LYS 16 H LYS 16 -7.837 0.820 -16.357 127 HA LYS 16 HA LYS 16 -9.025 1.827 -13.899 128 1HB LYS 16 2HB LYS 16 -8.393 3.029 -16.234 129 2HB LYS 16 1HB LYS 16 -10.074 2.690 -16.596 130 1HG LYS 16 2HG LYS 16 -10.734 3.804 -14.454 131 2HG LYS 16 1HG LYS 16 -9.055 4.220 -14.172 132 1HD LYS 16 2HD LYS 16 -10.397 4.988 -16.793 133 2HD LYS 16 1HD LYS 16 -10.651 5.964 -15.363 134 1HE LYS 16 2HE LYS 16 -8.409 6.650 -15.248 135 2HE LYS 16 1HE LYS 16 -7.810 5.255 -16.131 136 1HZ LYS 16 3HZ LYS 16 -9.006 6.158 -18.102 137 2HZ LYS 16 2HZ LYS 16 -9.281 7.578 -17.212 138 3HZ LYS 16 1HZ LYS 16 -7.692 7.088 -17.563 139 HA HYP 17 HA HYP 17 -13.077 0.133 -15.729 140 1HB HYP 17 1HB HYP 17 -13.334 -0.120 -17.998 141 2HB HYP 17 2HB HYP 17 -12.781 -1.775 -17.833 142 1HD HYP 17 1HD1 HYP 17 -9.639 0.880 -17.461 143 2HD HYP 17 2HD1 HYP 17 -9.480 -0.837 -17.084 144 HOD HYP 17 HD2 HYP 17 -11.725 1.501 -18.330 145 HG HYP 17 HG HYP 17 -10.877 -1.123 -19.022 146 H MET 18 H MET 18 -10.352 -1.799 -15.259 147 HA MET 18 HA MET 18 -11.098 -4.396 -14.942 148 1HB MET 18 2HB MET 18 -9.151 -2.591 -13.623 149 2HB MET 18 1HB MET 18 -9.531 -4.001 -12.660 150 1HG MET 18 2HG MET 18 -8.972 -4.452 -15.564 151 2HG MET 18 1HG MET 18 -7.645 -3.966 -14.558 152 1HE MET 18 1HE MET 18 -9.685 -6.730 -15.946 153 2HE MET 18 3HE MET 18 -9.684 -8.003 -14.743 154 3HE MET 18 2HE MET 18 -10.666 -6.576 -14.469 155 H LYS 19 H LYS 19 -12.147 -5.678 -13.632 156 HA LYS 19 HA LYS 19 -14.388 -4.825 -12.171 157 1HB LYS 19 2HB LYS 19 -14.387 -7.191 -11.249 158 2HB LYS 19 1HB LYS 19 -14.307 -7.067 -12.990 159 1HG LYS 19 2HG LYS 19 -11.576 -7.096 -12.159 160 2HG LYS 19 1HG LYS 19 -12.367 -8.253 -11.114 161 1HD LYS 19 2HD LYS 19 -12.683 -8.249 -14.147 162 2HD LYS 19 1HD LYS 19 -11.455 -9.178 -13.311 163 1HE LYS 19 2HE LYS 19 -13.199 -10.407 -12.049 164 2HE LYS 19 1HE LYS 19 -14.457 -9.465 -12.841 165 1HZ LYS 19 3HZ LYS 19 -12.495 -11.164 -14.261 166 2HZ LYS 19 2HZ LYS 19 -14.079 -11.637 -13.862 167 3HZ LYS 19 1HZ LYS 19 -13.821 -10.349 -14.941 168 H CYS 20 H CYS 20 -11.164 -5.698 -10.939 169 HA CYS 20 HA CYS 20 -11.834 -5.437 -8.187 170 1HB CYS 20 2HB CYS 20 -9.519 -5.602 -7.775 171 2HB CYS 20 1HB CYS 20 -9.778 -6.547 -9.207 172 H CYS 21 H CYS 21 -10.863 -3.244 -10.668 173 HA CYS 21 HA CYS 21 -10.606 -0.923 -8.856 174 1HB CYS 21 2HB CYS 21 -10.300 -1.165 -11.860 175 2HB CYS 21 1HB CYS 21 -9.918 0.253 -10.924 176 H ALA 22 H ALA 22 -13.177 -2.430 -9.679 177 HA ALA 22 HA ALA 22 -14.811 0.006 -10.147 178 1HB ALA 22 2HB ALA 22 -15.012 -2.605 -11.706 179 2HB ALA 22 1HB ALA 22 -16.218 -1.330 -11.776 180 3HB ALA 22 3HB ALA 22 -14.586 -1.025 -12.347 No H/Q in entry = 180 Start of MODEL 18 1 1H ARG 1 3H ARG 1 -2.789 -10.191 -12.303 2 2H ARG 1 2H ARG 1 -3.701 -10.125 -13.736 3 3H ARG 1 1H ARG 1 -2.073 -10.609 -13.787 4 HA ARG 1 HA ARG 1 -1.874 -8.473 -14.488 5 1HB ARG 1 2HB ARG 1 -3.300 -6.624 -13.648 6 2HB ARG 1 1HB ARG 1 -4.282 -7.940 -14.228 7 1HG ARG 1 2HG ARG 1 -3.678 -8.272 -11.347 8 2HG ARG 1 1HG ARG 1 -4.391 -6.711 -11.678 9 1HD ARG 1 2HD ARG 1 -6.164 -8.374 -11.208 10 2HD ARG 1 1HD ARG 1 -6.283 -7.840 -12.877 11 HE ARG 1 HE ARG 1 -4.778 -10.332 -12.225 12 1HH1 ARG 1 1HH1 ARG 1 -5.487 -9.182 -14.991 13 2HH1 ARG 1 2HH1 ARG 1 -6.769 -10.244 -15.464 14 1HH2 ARG 1 1HH2 ARG 1 -7.221 -11.468 -12.211 15 2HH2 ARG 1 2HH2 ARG 1 -7.777 -11.573 -13.848 16 H ASP 2 H ASP 2 -1.400 -6.295 -13.122 17 HA ASP 2 HA ASP 2 0.142 -7.007 -10.668 18 1HB ASP 2 2HB ASP 2 2.057 -5.702 -11.531 19 2HB ASP 2 1HB ASP 2 1.651 -6.957 -12.689 20 H CYS 3 H CYS 3 -2.208 -5.202 -12.010 21 HA CYS 3 HA CYS 3 -1.684 -2.684 -10.546 22 1HB CYS 3 2HB CYS 3 -3.645 -3.601 -12.596 23 2HB CYS 3 1HB CYS 3 -4.130 -2.305 -11.549 24 H CYS 4 H CYS 4 -4.097 -5.264 -10.621 25 HA CYS 4 HA CYS 4 -5.495 -4.212 -8.297 26 1HB CYS 4 2HB CYS 4 -5.703 -6.818 -9.791 27 2HB CYS 4 1HB CYS 4 -6.768 -6.364 -8.499 28 H THR 5 H THR 5 -2.634 -5.882 -8.574 29 HA THR 5 HA THR 5 -2.888 -7.782 -6.440 30 HB THR 5 HB THR 5 -0.980 -7.891 -8.094 31 HG1 THR 5 HG1 THR 5 -0.853 -7.888 -5.377 32 1HG2 THR 5 2HG2 THR 5 -0.616 -5.198 -7.841 33 2HG2 THR 5 1HG2 THR 5 0.468 -5.717 -6.559 34 3HG2 THR 5 3HG2 THR 5 0.728 -6.262 -8.209 35 HA HYP 6 HA HYP 6 -3.610 -4.670 -3.467 36 1HB HYP 6 1HB HYP 6 -4.485 -5.902 -1.789 37 2HB HYP 6 2HB HYP 6 -2.879 -6.179 -1.134 38 1HD HYP 6 1HD1 HYP 6 -3.854 -8.094 -4.647 39 2HD HYP 6 2HD1 HYP 6 -2.189 -8.391 -4.114 40 HOD HYP 6 HD2 HYP 6 -4.965 -8.968 -2.162 41 HG HYP 6 HG HYP 6 -2.953 -8.405 -1.887 42 HA HYP 7 HA HYP 7 -3.579 -2.944 -2.279 43 1HB HYP 7 1HB HYP 7 -2.996 -1.084 -1.134 44 2HB HYP 7 2HB HYP 7 -2.370 -0.371 -2.612 45 1HD HYP 7 1HD1 HYP 7 0.109 -3.365 -1.191 46 2HD HYP 7 2HD1 HYP 7 0.377 -2.641 -2.782 47 HOD HYP 7 HD2 HYP 7 -0.119 -1.912 0.276 48 HG HYP 7 HG HYP 7 -0.191 -0.613 -1.696 49 H ARG 8 H ARG 8 -4.892 -2.121 -3.901 50 HA ARG 8 HA ARG 8 -4.274 -2.668 -6.583 51 1HB ARG 8 2HB ARG 8 -6.373 -0.816 -5.405 52 2HB ARG 8 1HB ARG 8 -6.335 -1.310 -7.086 53 1HG ARG 8 2HG ARG 8 -6.439 -3.731 -6.312 54 2HG ARG 8 1HG ARG 8 -6.661 -3.139 -4.674 55 1HD ARG 8 2HD ARG 8 -8.676 -1.833 -5.486 56 2HD ARG 8 1HD ARG 8 -8.502 -2.625 -7.049 57 HE ARG 8 HE ARG 8 -8.616 -4.798 -5.496 58 1HH1 ARG 8 1HH1 ARG 8 -11.371 -2.883 -3.602 59 2HH1 ARG 8 2HH1 ARG 8 -9.684 -2.491 -3.584 60 1HH2 ARG 8 1HH2 ARG 8 -11.038 -5.065 -6.321 61 2HH2 ARG 8 2HH2 ARG 8 -12.155 -4.375 -5.193 62 H LYS 9 H LYS 9 -4.169 -1.222 -8.404 63 HA LYS 9 HA LYS 9 -2.600 1.263 -7.866 64 1HB LYS 9 2HB LYS 9 -1.384 -0.549 -9.090 65 2HB LYS 9 1HB LYS 9 -2.648 -0.581 -10.296 66 1HG LYS 9 2HG LYS 9 -1.230 0.847 -11.412 67 2HG LYS 9 1HG LYS 9 -2.043 2.062 -10.454 68 1HD LYS 9 2HD LYS 9 -0.219 1.716 -8.675 69 2HD LYS 9 1HD LYS 9 0.640 0.761 -9.874 70 1HE LYS 9 2HE LYS 9 0.426 2.783 -11.454 71 2HE LYS 9 1HE LYS 9 -0.139 3.689 -10.056 72 1HZ LYS 9 1HZ LYS 9 2.416 2.209 -10.070 73 2HZ LYS 9 3HZ LYS 9 2.283 3.829 -10.561 74 3HZ LYS 9 2HZ LYS 9 1.892 3.391 -8.967 75 H CYS 10 H CYS 10 -4.665 -0.113 -10.369 76 HA CYS 10 HA CYS 10 -6.282 0.777 -11.762 77 1HB CYS 10 2HB CYS 10 -6.914 2.512 -9.379 78 2HB CYS 10 1HB CYS 10 -8.022 2.030 -10.636 79 H LYS 11 H LYS 11 -3.653 2.240 -11.536 80 HA LYS 11 HA LYS 11 -4.332 5.031 -12.162 81 1HB LYS 11 2HB LYS 11 -2.242 4.266 -10.898 82 2HB LYS 11 1HB LYS 11 -1.635 3.642 -12.422 83 1HG LYS 11 2HG LYS 11 -1.779 5.931 -13.411 84 2HG LYS 11 1HG LYS 11 -2.437 6.544 -11.901 85 1HD LYS 11 2HD LYS 11 -0.322 5.752 -10.743 86 2HD LYS 11 1HD LYS 11 0.327 5.329 -12.318 87 1HE LYS 11 2HE LYS 11 0.093 7.705 -13.045 88 2HE LYS 11 1HE LYS 11 -0.558 8.122 -11.464 89 1HZ LYS 11 1HZ LYS 11 1.578 7.126 -10.562 90 2HZ LYS 11 3HZ LYS 11 2.164 7.230 -12.153 91 3HZ LYS 11 2HZ LYS 11 1.675 8.635 -11.335 92 H ASP 12 H ASP 12 -3.204 2.142 -13.782 93 HA ASP 12 HA ASP 12 -2.811 3.265 -16.379 94 1HB ASP 12 2HB ASP 12 -2.417 0.743 -15.218 95 2HB ASP 12 1HB ASP 12 -3.713 0.436 -16.353 96 H ARG 13 H ARG 13 -4.117 3.392 -18.144 97 HA ARG 13 HA ARG 13 -6.928 3.795 -17.666 98 1HB ARG 13 2HB ARG 13 -5.324 4.807 -19.518 99 2HB ARG 13 1HB ARG 13 -5.752 3.371 -20.430 100 1HG ARG 13 2HG ARG 13 -8.154 3.941 -20.277 101 2HG ARG 13 1HG ARG 13 -7.796 5.296 -19.222 102 1HD ARG 13 2HD ARG 13 -8.129 6.158 -21.478 103 2HD ARG 13 1HD ARG 13 -6.416 6.311 -21.098 104 HE ARG 13 HE ARG 13 -7.484 3.998 -22.675 105 1HH1 ARG 13 2HH1 ARG 13 -4.612 4.029 -21.913 106 2HH1 ARG 13 1HH1 ARG 13 -3.862 4.730 -23.309 107 1HH2 ARG 13 1HH2 ARG 13 -6.879 6.008 -24.546 108 2HH2 ARG 13 2HH2 ARG 13 -5.177 5.879 -24.837 109 H ARG 14 H ARG 14 -4.995 1.111 -18.518 110 HA ARG 14 HA ARG 14 -7.187 -0.528 -19.526 111 1HB ARG 14 2HB ARG 14 -4.234 -1.088 -19.010 112 2HB ARG 14 1HB ARG 14 -5.333 -2.260 -19.719 113 1HG ARG 14 2HG ARG 14 -5.770 -0.816 -21.629 114 2HG ARG 14 1HG ARG 14 -4.892 0.511 -20.900 115 1HD ARG 14 2HD ARG 14 -3.389 -2.071 -21.316 116 2HD ARG 14 1HD ARG 14 -3.715 -1.043 -22.711 117 HE ARG 14 HE ARG 14 -2.487 0.156 -20.283 118 1HH1 ARG 14 1HH2 ARG 14 -2.810 1.708 -22.802 119 2HH1 ARG 14 2HH2 ARG 14 -1.240 1.574 -23.516 120 1HH2 ARG 14 2HH1 ARG 14 -0.290 -1.125 -21.505 121 2HH2 ARG 14 1HH1 ARG 14 0.209 -0.057 -22.771 122 H CYS 15 H CYS 15 -5.623 0.248 -16.617 123 HA CYS 15 HA CYS 15 -6.540 -2.136 -15.120 124 1HB CYS 15 2HB CYS 15 -4.835 0.261 -14.423 125 2HB CYS 15 1HB CYS 15 -5.284 -0.963 -13.275 126 H LYS 16 H LYS 16 -7.698 0.909 -15.921 127 HA LYS 16 HA LYS 16 -9.116 1.467 -13.445 128 1HB LYS 16 2HB LYS 16 -8.765 2.765 -16.095 129 2HB LYS 16 1HB LYS 16 -10.371 2.997 -15.446 130 1HG LYS 16 2HG LYS 16 -7.862 3.471 -13.810 131 2HG LYS 16 1HG LYS 16 -8.550 4.719 -14.823 132 1HD LYS 16 2HD LYS 16 -10.771 4.362 -13.553 133 2HD LYS 16 1HD LYS 16 -9.886 3.319 -12.461 134 1HE LYS 16 2HE LYS 16 -10.066 5.625 -11.559 135 2HE LYS 16 1HE LYS 16 -8.390 5.172 -11.821 136 1HZ LYS 16 2HZ LYS 16 -9.990 6.685 -13.801 137 2HZ LYS 16 1HZ LYS 16 -9.034 7.425 -12.608 138 3HZ LYS 16 3HZ LYS 16 -8.311 6.439 -13.790 139 HA HYP 17 HA HYP 17 -12.933 -0.027 -15.969 140 1HB HYP 17 1HB HYP 17 -12.911 -0.311 -18.253 141 2HB HYP 17 2HB HYP 17 -12.157 -1.881 -18.045 142 1HD HYP 17 1HD1 HYP 17 -9.504 1.120 -17.159 143 2HD HYP 17 2HD1 HYP 17 -9.101 -0.582 -16.922 144 HOD HYP 17 HD2 HYP 17 -11.418 1.554 -18.274 145 HG HYP 17 HG HYP 17 -10.245 -0.935 -18.981 146 H MET 18 H MET 18 -10.215 -1.882 -15.254 147 HA MET 18 HA MET 18 -11.106 -4.520 -15.028 148 1HB MET 18 2HB MET 18 -9.056 -2.836 -13.631 149 2HB MET 18 1HB MET 18 -9.468 -4.325 -12.816 150 1HG MET 18 2HG MET 18 -9.139 -5.144 -15.454 151 2HG MET 18 1HG MET 18 -7.950 -3.893 -15.287 152 1HE MET 18 3HE MET 18 -6.405 -3.773 -13.204 153 2HE MET 18 2HE MET 18 -5.405 -5.162 -12.878 154 3HE MET 18 1HE MET 18 -5.463 -4.510 -14.517 155 H LYS 19 H LYS 19 -12.117 -5.738 -13.499 156 HA LYS 19 HA LYS 19 -14.323 -4.652 -12.146 157 1HB LYS 19 2HB LYS 19 -12.838 -7.280 -11.954 158 2HB LYS 19 1HB LYS 19 -14.146 -6.953 -10.830 159 1HG LYS 19 2HG LYS 19 -15.665 -6.443 -12.756 160 2HG LYS 19 1HG LYS 19 -14.369 -6.839 -13.870 161 1HD LYS 19 2HD LYS 19 -14.297 -9.157 -12.955 162 2HD LYS 19 1HD LYS 19 -15.561 -8.749 -11.810 163 1HE LYS 19 2HE LYS 19 -16.566 -9.893 -13.742 164 2HE LYS 19 1HE LYS 19 -17.098 -8.221 -13.737 165 1HZ LYS 19 2HZ LYS 19 -14.735 -9.108 -15.269 166 2HZ LYS 19 1HZ LYS 19 -16.305 -9.153 -15.913 167 3HZ LYS 19 3HZ LYS 19 -15.623 -7.671 -15.437 168 H CYS 20 H CYS 20 -11.157 -5.506 -10.773 169 HA CYS 20 HA CYS 20 -11.810 -4.937 -8.085 170 1HB CYS 20 2HB CYS 20 -9.570 -5.251 -7.650 171 2HB CYS 20 1HB CYS 20 -9.670 -5.992 -9.214 172 H CYS 21 H CYS 21 -11.168 -2.912 -10.749 173 HA CYS 21 HA CYS 21 -11.116 -0.438 -9.070 174 1HB CYS 21 2HB CYS 21 -10.118 -0.823 -11.896 175 2HB CYS 21 1HB CYS 21 -9.934 0.611 -10.928 176 H ALA 22 H ALA 22 -13.415 -2.069 -10.195 177 HA ALA 22 HA ALA 22 -14.665 -0.682 -12.327 178 1HB ALA 22 2HB ALA 22 -15.803 -2.327 -10.045 179 2HB ALA 22 1HB ALA 22 -16.797 -1.694 -11.346 180 3HB ALA 22 3HB ALA 22 -15.512 -2.834 -11.704 No H/Q in entry = 180 Start of MODEL 19 1 1H ARG 1 2H ARG 1 1.334 -9.823 -10.464 2 2H ARG 1 1H ARG 1 2.159 -9.872 -8.975 3 3H ARG 1 3H ARG 1 0.695 -9.015 -9.110 4 HA ARG 1 HA ARG 1 2.338 -7.429 -9.076 5 1HB ARG 1 2HB ARG 1 4.160 -9.137 -9.832 6 2HB ARG 1 1HB ARG 1 3.635 -8.838 -11.472 7 1HG ARG 1 2HG ARG 1 5.593 -7.440 -10.928 8 2HG ARG 1 1HG ARG 1 4.213 -6.411 -11.217 9 1HD ARG 1 2HD ARG 1 4.765 -7.282 -8.371 10 2HD ARG 1 1HD ARG 1 5.767 -6.022 -9.082 11 HE ARG 1 HE ARG 1 3.213 -5.183 -9.682 12 1HH1 ARG 1 1HH1 ARG 1 1.694 -6.063 -7.619 13 2HH1 ARG 1 2HH1 ARG 1 2.132 -5.153 -6.219 14 1HH2 ARG 1 1HH2 ARG 1 5.168 -4.073 -7.576 15 2HH2 ARG 1 2HH2 ARG 1 4.136 -4.002 -6.186 16 H ASP 2 H ASP 2 -0.109 -7.496 -9.864 17 HA ASP 2 HA ASP 2 -0.267 -6.108 -12.500 18 1HB ASP 2 2HB ASP 2 -1.641 -8.432 -11.613 19 2HB ASP 2 1HB ASP 2 -2.826 -7.148 -11.480 20 H CYS 3 H CYS 3 -2.404 -4.693 -12.425 21 HA CYS 3 HA CYS 3 -1.930 -2.641 -10.490 22 1HB CYS 3 2HB CYS 3 -4.093 -3.205 -12.464 23 2HB CYS 3 1HB CYS 3 -4.449 -2.044 -11.218 24 H CYS 4 H CYS 4 -4.205 -5.330 -10.516 25 HA CYS 4 HA CYS 4 -5.589 -4.409 -8.128 26 1HB CYS 4 2HB CYS 4 -5.648 -7.125 -9.438 27 2HB CYS 4 1HB CYS 4 -6.806 -6.479 -8.307 28 H THR 5 H THR 5 -2.623 -5.956 -8.550 29 HA THR 5 HA THR 5 -2.589 -7.838 -6.409 30 HB THR 5 HB THR 5 -0.328 -6.229 -7.716 31 HG1 THR 5 HG1 THR 5 -1.186 -8.939 -7.719 32 1HG2 THR 5 1HG2 THR 5 -0.259 -8.523 -5.664 33 2HG2 THR 5 3HG2 THR 5 1.102 -8.097 -6.691 34 3HG2 THR 5 2HG2 THR 5 0.524 -6.960 -5.487 35 HA HYP 6 HA HYP 6 -3.559 -4.503 -3.604 36 1HB HYP 6 1HB HYP 6 -4.737 -5.456 -1.915 37 2HB HYP 6 2HB HYP 6 -3.349 -6.365 -1.331 38 1HD HYP 6 1HD1 HYP 6 -3.989 -7.941 -4.996 39 2HD HYP 6 2HD1 HYP 6 -2.693 -8.347 -3.859 40 HOD HYP 6 HD2 HYP 6 -6.347 -7.271 -3.025 41 HG HYP 6 HG HYP 6 -4.557 -8.211 -2.303 42 HA HYP 7 HA HYP 7 -3.480 -2.834 -2.088 43 1HB HYP 7 1HB HYP 7 -2.737 -0.954 -1.052 44 2HB HYP 7 2HB HYP 7 -1.824 -0.482 -2.474 45 1HD HYP 7 1HD1 HYP 7 -0.072 -3.764 -0.723 46 2HD HYP 7 2HD1 HYP 7 0.511 -3.102 -2.255 47 HOD HYP 7 HD2 HYP 7 -0.199 -2.064 0.760 48 HG HYP 7 HG HYP 7 0.131 -1.006 -1.219 49 H ARG 8 H ARG 8 -4.669 -2.160 -3.769 50 HA ARG 8 HA ARG 8 -3.887 -2.712 -6.411 51 1HB ARG 8 2HB ARG 8 -6.188 -0.984 -5.419 52 2HB ARG 8 1HB ARG 8 -6.067 -1.706 -7.014 53 1HG ARG 8 2HG ARG 8 -5.724 -3.970 -5.612 54 2HG ARG 8 1HG ARG 8 -6.516 -3.056 -4.344 55 1HD ARG 8 2HD ARG 8 -8.470 -2.664 -5.808 56 2HD ARG 8 1HD ARG 8 -7.657 -3.482 -7.137 57 HE ARG 8 HE ARG 8 -8.086 -5.562 -6.094 58 1HH1 ARG 8 1HH2 ARG 8 -7.423 -5.921 -3.540 59 2HH1 ARG 8 2HH2 ARG 8 -8.790 -5.536 -2.554 60 1HH2 ARG 8 2HH1 ARG 8 -10.428 -3.761 -5.073 61 2HH2 ARG 8 1HH1 ARG 8 -10.524 -4.302 -3.430 62 H LYS 9 H LYS 9 -4.190 -1.105 -8.237 63 HA LYS 9 HA LYS 9 -2.729 1.445 -7.691 64 1HB LYS 9 2HB LYS 9 -1.299 -0.254 -8.794 65 2HB LYS 9 1HB LYS 9 -2.484 -0.445 -10.060 66 1HG LYS 9 2HG LYS 9 -1.085 1.049 -11.129 67 2HG LYS 9 1HG LYS 9 -2.150 2.192 -10.359 68 1HD LYS 9 2HD LYS 9 -0.219 3.115 -9.554 69 2HD LYS 9 1HD LYS 9 -0.343 1.869 -8.332 70 1HE LYS 9 2HE LYS 9 1.895 1.727 -9.227 71 2HE LYS 9 1HE LYS 9 1.026 0.360 -9.911 72 1HZ LYS 9 1HZ LYS 9 0.601 1.744 -11.897 73 2HZ LYS 9 3HZ LYS 9 1.573 2.960 -11.219 74 3HZ LYS 9 2HZ LYS 9 2.248 1.454 -11.613 75 H CYS 10 H CYS 10 -4.467 -0.018 -10.395 76 HA CYS 10 HA CYS 10 -6.070 0.786 -11.862 77 1HB CYS 10 2HB CYS 10 -6.948 2.423 -9.485 78 2HB CYS 10 1HB CYS 10 -7.943 1.951 -10.838 79 H LYS 11 H LYS 11 -3.554 2.314 -11.577 80 HA LYS 11 HA LYS 11 -4.326 5.094 -12.213 81 1HB LYS 11 2HB LYS 11 -2.333 4.262 -10.716 82 2HB LYS 11 1HB LYS 11 -1.493 4.030 -12.234 83 1HG LYS 11 2HG LYS 11 -1.592 6.359 -12.768 84 2HG LYS 11 1HG LYS 11 -2.859 6.675 -11.597 85 1HD LYS 11 2HD LYS 11 -0.151 5.639 -10.685 86 2HD LYS 11 1HD LYS 11 -0.384 7.345 -11.009 87 1HE LYS 11 2HE LYS 11 -2.049 7.569 -9.298 88 2HE LYS 11 1HE LYS 11 -2.257 5.831 -9.146 89 1HZ LYS 11 2HZ LYS 11 0.260 7.252 -8.517 90 2HZ LYS 11 1HZ LYS 11 -0.928 6.849 -7.370 91 3HZ LYS 11 3HZ LYS 11 -0.108 5.621 -8.212 92 H ASP 12 H ASP 12 -3.971 2.290 -13.955 93 HA ASP 12 HA ASP 12 -3.010 3.662 -16.416 94 1HB ASP 12 2HB ASP 12 -3.289 0.724 -15.712 95 2HB ASP 12 1HB ASP 12 -2.685 1.334 -17.235 96 H ARG 13 H ARG 13 -4.197 3.589 -18.302 97 HA ARG 13 HA ARG 13 -7.027 3.750 -18.093 98 1HB ARG 13 2HB ARG 13 -5.057 3.594 -20.372 99 2HB ARG 13 1HB ARG 13 -6.753 3.367 -20.752 100 1HG ARG 13 2HG ARG 13 -7.256 5.534 -19.531 101 2HG ARG 13 1HG ARG 13 -5.529 5.779 -19.351 102 1HD ARG 13 2HD ARG 13 -6.927 5.414 -22.046 103 2HD ARG 13 1HD ARG 13 -6.503 6.976 -21.361 104 HE ARG 13 HE ARG 13 -4.650 5.057 -22.555 105 1HH1 ARG 13 2HH1 ARG 13 -3.260 5.432 -20.108 106 2HH1 ARG 13 1HH1 ARG 13 -2.420 6.936 -20.290 107 1HH2 ARG 13 1HH2 ARG 13 -4.427 7.961 -22.972 108 2HH2 ARG 13 2HH2 ARG 13 -3.099 8.406 -21.954 109 H ARG 14 H ARG 14 -4.961 1.058 -18.635 110 HA ARG 14 HA ARG 14 -7.016 -0.743 -19.600 111 1HB ARG 14 2HB ARG 14 -4.599 -0.863 -20.274 112 2HB ARG 14 1HB ARG 14 -4.188 -1.319 -18.637 113 1HG ARG 14 2HG ARG 14 -6.305 -3.098 -19.595 114 2HG ARG 14 1HG ARG 14 -5.054 -3.006 -20.811 115 1HD ARG 14 2HD ARG 14 -4.514 -4.828 -19.264 116 2HD ARG 14 1HD ARG 14 -3.329 -3.544 -19.048 117 HE ARG 14 HE ARG 14 -5.354 -2.988 -17.200 118 1HH1 ARG 14 2HH1 ARG 14 -5.446 -6.054 -17.255 119 2HH1 ARG 14 1HH1 ARG 14 -4.374 -6.415 -15.939 120 1HH2 ARG 14 1HH2 ARG 14 -3.004 -3.228 -15.817 121 2HH2 ARG 14 2HH2 ARG 14 -3.015 -4.824 -15.131 122 H CYS 15 H CYS 15 -5.686 0.179 -16.570 123 HA CYS 15 HA CYS 15 -6.702 -2.136 -15.058 124 1HB CYS 15 2HB CYS 15 -5.341 0.447 -14.250 125 2HB CYS 15 1HB CYS 15 -5.720 -0.870 -13.170 126 H LYS 16 H LYS 16 -7.453 1.272 -15.418 127 HA LYS 16 HA LYS 16 -9.331 1.761 -13.499 128 1HB LYS 16 2HB LYS 16 -8.496 3.174 -15.575 129 2HB LYS 16 1HB LYS 16 -9.943 2.596 -16.356 130 1HG LYS 16 2HG LYS 16 -10.084 3.887 -13.608 131 2HG LYS 16 1HG LYS 16 -10.008 4.876 -15.047 132 1HD LYS 16 2HD LYS 16 -12.154 2.804 -14.432 133 2HD LYS 16 1HD LYS 16 -12.343 4.533 -14.338 134 1HE LYS 16 2HE LYS 16 -12.975 4.581 -16.505 135 2HE LYS 16 1HE LYS 16 -11.390 4.021 -16.996 136 1HZ LYS 16 3HZ LYS 16 -13.168 1.977 -15.970 137 2HZ LYS 16 2HZ LYS 16 -13.659 2.710 -17.412 138 3HZ LYS 16 1HZ LYS 16 -12.145 1.961 -17.346 139 HA HYP 17 HA HYP 17 -12.952 -0.097 -15.923 140 1HB HYP 17 1HB HYP 17 -12.874 -0.172 -18.209 141 2HB HYP 17 2HB HYP 17 -12.293 -1.825 -18.090 142 1HD HYP 17 1HD1 HYP 17 -9.268 0.813 -17.079 143 2HD HYP 17 2HD1 HYP 17 -9.224 -0.933 -16.811 144 HOD HYP 17 HD2 HYP 17 -9.989 1.268 -18.933 145 HG HYP 17 HG HYP 17 -10.273 -1.018 -18.964 146 H MET 18 H MET 18 -10.191 -2.116 -15.415 147 HA MET 18 HA MET 18 -11.189 -4.710 -15.252 148 1HB MET 18 2HB MET 18 -9.158 -3.307 -13.441 149 2HB MET 18 1HB MET 18 -9.474 -5.017 -13.339 150 1HG MET 18 2HG MET 18 -8.844 -5.315 -15.677 151 2HG MET 18 1HG MET 18 -8.586 -3.600 -15.839 152 1HE MET 18 3HE MET 18 -7.520 -6.542 -13.435 153 2HE MET 18 2HE MET 18 -7.074 -6.989 -15.100 154 3HE MET 18 1HE MET 18 -5.835 -6.670 -13.898 155 H LYS 19 H LYS 19 -12.272 -5.931 -13.698 156 HA LYS 19 HA LYS 19 -14.368 -4.763 -12.272 157 1HB LYS 19 2HB LYS 19 -12.934 -7.407 -11.889 158 2HB LYS 19 1HB LYS 19 -14.380 -7.001 -10.985 159 1HG LYS 19 2HG LYS 19 -15.759 -7.324 -12.769 160 2HG LYS 19 1HG LYS 19 -14.712 -6.455 -13.873 161 1HD LYS 19 2HD LYS 19 -13.218 -8.475 -13.997 162 2HD LYS 19 1HD LYS 19 -14.351 -9.341 -12.972 163 1HE LYS 19 2HE LYS 19 -16.155 -8.959 -14.670 164 2HE LYS 19 1HE LYS 19 -14.996 -8.127 -15.699 165 1HZ LYS 19 3HZ LYS 19 -13.685 -10.146 -15.793 166 2HZ LYS 19 2HZ LYS 19 -14.823 -10.948 -14.818 167 3HZ LYS 19 1HZ LYS 19 -15.263 -10.402 -16.364 168 H CYS 20 H CYS 20 -11.091 -5.209 -11.110 169 HA CYS 20 HA CYS 20 -11.757 -4.708 -8.349 170 1HB CYS 20 2HB CYS 20 -9.566 -5.168 -7.896 171 2HB CYS 20 1HB CYS 20 -9.760 -6.026 -9.395 172 H CYS 21 H CYS 21 -11.783 -2.582 -10.836 173 HA CYS 21 HA CYS 21 -11.069 -0.289 -9.080 174 1HB CYS 21 2HB CYS 21 -10.393 -0.539 -12.005 175 2HB CYS 21 1HB CYS 21 -10.008 0.816 -10.980 176 H ALA 22 H ALA 22 -12.765 -1.372 -11.933 177 HA ALA 22 HA ALA 22 -14.742 -0.787 -12.944 178 1HB ALA 22 3HB ALA 22 -15.598 -0.930 -10.568 179 2HB ALA 22 2HB ALA 22 -15.341 0.796 -10.387 180 3HB ALA 22 1HB ALA 22 -16.502 0.203 -11.557 No H/Q in entry = 180 Start of MODEL 20 1 1H ARG 1 3H ARG 1 1.091 -9.644 -13.305 2 2H ARG 1 2H ARG 1 0.179 -10.391 -12.081 3 3H ARG 1 1H ARG 1 -0.226 -10.640 -13.713 4 HA ARG 1 HA ARG 1 -0.934 -8.437 -13.994 5 1HB ARG 1 2HB ARG 1 -1.922 -9.926 -11.571 6 2HB ARG 1 1HB ARG 1 -2.442 -8.263 -11.700 7 1HG ARG 1 2HG ARG 1 -4.063 -8.894 -13.130 8 2HG ARG 1 1HG ARG 1 -2.847 -9.314 -14.313 9 1HD ARG 1 2HD ARG 1 -3.797 -11.222 -12.131 10 2HD ARG 1 1HD ARG 1 -4.415 -11.208 -13.781 11 HE ARG 1 HE ARG 1 -1.571 -11.377 -13.891 12 1HH1 ARG 1 1HH1 ARG 1 -3.711 -13.131 -15.199 13 2HH1 ARG 1 2HH1 ARG 1 -3.320 -14.683 -14.535 14 1HH2 ARG 1 1HH2 ARG 1 -1.307 -13.315 -12.014 15 2HH2 ARG 1 2HH2 ARG 1 -1.924 -14.790 -12.684 16 H ASP 2 H ASP 2 -0.819 -6.344 -13.521 17 HA ASP 2 HA ASP 2 0.561 -5.402 -11.061 18 1HB ASP 2 2HB ASP 2 1.368 -4.717 -13.946 19 2HB ASP 2 1HB ASP 2 2.002 -3.900 -12.527 20 H CYS 3 H CYS 3 -1.767 -5.151 -10.829 21 HA CYS 3 HA CYS 3 -2.553 -2.386 -11.305 22 1HB CYS 3 2HB CYS 3 -3.794 -4.675 -12.785 23 2HB CYS 3 1HB CYS 3 -4.867 -3.435 -12.215 24 H CYS 4 H CYS 4 -4.449 -5.299 -10.829 25 HA CYS 4 HA CYS 4 -5.711 -4.233 -8.439 26 1HB CYS 4 2HB CYS 4 -5.914 -7.013 -9.593 27 2HB CYS 4 1HB CYS 4 -7.076 -6.209 -8.581 28 H THR 5 H THR 5 -2.802 -5.656 -8.924 29 HA THR 5 HA THR 5 -2.654 -7.578 -6.823 30 HB THR 5 HB THR 5 -0.926 -7.491 -8.623 31 HG1 THR 5 HG1 THR 5 -0.097 -6.899 -5.974 32 1HG2 THR 5 2HG2 THR 5 -0.836 -4.853 -8.680 33 2HG2 THR 5 1HG2 THR 5 0.202 -4.992 -7.267 34 3HG2 THR 5 3HG2 THR 5 0.691 -5.713 -8.789 35 HA HYP 6 HA HYP 6 -3.185 -4.653 -3.574 36 1HB HYP 6 1HB HYP 6 -3.748 -6.064 -1.902 37 2HB HYP 6 2HB HYP 6 -2.055 -6.248 -1.476 38 1HD HYP 6 1HD1 HYP 6 -3.346 -8.047 -4.956 39 2HD HYP 6 2HD1 HYP 6 -1.600 -8.189 -4.683 40 HOD HYP 6 HD2 HYP 6 -4.122 -9.129 -3.069 41 HG HYP 6 HG HYP 6 -2.072 -8.425 -2.364 42 HA HYP 7 HA HYP 7 -3.097 -3.024 -2.309 43 1HB HYP 7 1HB HYP 7 -2.540 -1.211 -1.083 44 2HB HYP 7 2HB HYP 7 -1.957 -0.388 -2.519 45 1HD HYP 7 1HD1 HYP 7 0.631 -3.426 -1.483 46 2HD HYP 7 2HD1 HYP 7 0.818 -2.508 -2.983 47 HOD HYP 7 HD2 HYP 7 -0.863 -1.115 0.362 48 HG HYP 7 HG HYP 7 0.236 -0.652 -1.622 49 H ARG 8 H ARG 8 -4.556 -2.328 -3.839 50 HA ARG 8 HA ARG 8 -3.986 -2.515 -6.584 51 1HB ARG 8 2HB ARG 8 -6.246 -1.131 -5.096 52 2HB ARG 8 1HB ARG 8 -6.222 -1.296 -6.837 53 1HG ARG 8 2HG ARG 8 -5.725 -3.900 -6.106 54 2HG ARG 8 1HG ARG 8 -6.675 -3.370 -4.733 55 1HD ARG 8 2HD ARG 8 -8.510 -2.654 -6.232 56 2HD ARG 8 1HD ARG 8 -7.541 -3.063 -7.644 57 HE ARG 8 HE ARG 8 -7.818 -5.394 -7.136 58 1HH1 ARG 8 1HH2 ARG 8 -7.747 -5.519 -4.255 59 2HH1 ARG 8 2HH2 ARG 8 -9.403 -5.732 -3.797 60 1HH2 ARG 8 2HH1 ARG 8 -10.616 -4.683 -6.910 61 2HH2 ARG 8 1HH1 ARG 8 -11.069 -5.253 -5.338 62 H LYS 9 H LYS 9 -3.505 -1.113 -8.158 63 HA LYS 9 HA LYS 9 -2.489 1.559 -7.377 64 1HB LYS 9 2HB LYS 9 -1.186 -0.236 -8.777 65 2HB LYS 9 1HB LYS 9 -2.211 0.248 -10.107 66 1HG LYS 9 2HG LYS 9 -0.455 1.739 -10.432 67 2HG LYS 9 1HG LYS 9 -1.478 2.712 -9.397 68 1HD LYS 9 2HD LYS 9 -0.124 1.624 -7.415 69 2HD LYS 9 1HD LYS 9 1.025 1.165 -8.655 70 1HE LYS 9 2HE LYS 9 1.935 3.237 -8.253 71 2HE LYS 9 1HE LYS 9 0.640 3.840 -9.273 72 1HZ LYS 9 1HZ LYS 9 -0.640 3.715 -6.982 73 2HZ LYS 9 3HZ LYS 9 0.935 3.935 -6.385 74 3HZ LYS 9 2HZ LYS 9 0.265 5.074 -7.453 75 H CYS 10 H CYS 10 -4.398 0.087 -9.927 76 HA CYS 10 HA CYS 10 -6.070 0.845 -11.316 77 1HB CYS 10 2HB CYS 10 -6.742 2.467 -8.851 78 2HB CYS 10 1HB CYS 10 -7.822 2.206 -10.193 79 H LYS 11 H LYS 11 -3.538 2.528 -11.099 80 HA LYS 11 HA LYS 11 -4.421 5.214 -11.904 81 1HB LYS 11 2HB LYS 11 -1.714 3.862 -11.629 82 2HB LYS 11 1HB LYS 11 -1.864 5.466 -12.308 83 1HG LYS 11 2HG LYS 11 -3.283 5.029 -9.695 84 2HG LYS 11 1HG LYS 11 -1.531 4.972 -9.635 85 1HD LYS 11 2HD LYS 11 -1.454 7.196 -10.822 86 2HD LYS 11 1HD LYS 11 -3.205 7.265 -10.737 87 1HE LYS 11 2HE LYS 11 -3.136 7.249 -8.288 88 2HE LYS 11 1HE LYS 11 -1.397 6.975 -8.299 89 1HZ LYS 11 2HZ LYS 11 -1.528 9.160 -9.770 90 2HZ LYS 11 1HZ LYS 11 -2.892 9.406 -8.790 91 3HZ LYS 11 3HZ LYS 11 -1.366 9.181 -8.081 92 H ASP 12 H ASP 12 -3.049 2.340 -13.349 93 HA ASP 12 HA ASP 12 -2.675 3.403 -15.983 94 1HB ASP 12 2HB ASP 12 -2.924 0.546 -15.005 95 2HB ASP 12 1HB ASP 12 -2.389 1.006 -16.604 96 H ARG 13 H ARG 13 -3.805 3.253 -17.776 97 HA ARG 13 HA ARG 13 -6.654 3.304 -17.692 98 1HB ARG 13 2HB ARG 13 -6.438 3.267 -20.228 99 2HB ARG 13 1HB ARG 13 -5.524 4.524 -19.424 100 1HG ARG 13 2HG ARG 13 -3.444 3.419 -19.745 101 2HG ARG 13 1HG ARG 13 -4.193 1.863 -20.043 102 1HD ARG 13 2HD ARG 13 -4.672 4.213 -21.910 103 2HD ARG 13 1HD ARG 13 -3.288 3.140 -22.101 104 HE ARG 13 HE ARG 13 -5.944 1.847 -21.903 105 1HH1 ARG 13 1HH2 ARG 13 -3.359 0.697 -23.024 106 2HH1 ARG 13 2HH2 ARG 13 -3.685 0.717 -24.725 107 1HH2 ARG 13 2HH1 ARG 13 -6.398 2.906 -24.383 108 2HH2 ARG 13 1HH1 ARG 13 -5.449 2.001 -25.514 109 H ARG 14 H ARG 14 -4.572 0.663 -17.681 110 HA ARG 14 HA ARG 14 -6.329 -1.190 -19.072 111 1HB ARG 14 2HB ARG 14 -4.563 -2.819 -18.654 112 2HB ARG 14 1HB ARG 14 -3.834 -1.324 -19.200 113 1HG ARG 14 2HG ARG 14 -3.786 -0.841 -16.520 114 2HG ARG 14 1HG ARG 14 -3.808 -2.590 -16.479 115 1HD ARG 14 2HD ARG 14 -1.806 -1.204 -18.274 116 2HD ARG 14 1HD ARG 14 -1.500 -1.325 -16.545 117 HE ARG 14 HE ARG 14 -2.201 -3.781 -18.072 118 1HH1 ARG 14 2HH1 ARG 14 -1.440 -4.147 -15.303 119 2HH1 ARG 14 1HH1 ARG 14 0.265 -4.442 -15.373 120 1HH2 ARG 14 1HH2 ARG 14 0.568 -3.145 -18.610 121 2HH2 ARG 14 2HH2 ARG 14 1.434 -3.858 -17.290 122 H CYS 15 H CYS 15 -5.633 -0.228 -15.797 123 HA CYS 15 HA CYS 15 -7.030 -2.508 -14.585 124 1HB CYS 15 2HB CYS 15 -6.407 -0.106 -13.002 125 2HB CYS 15 1HB CYS 15 -6.209 -1.777 -12.592 126 H LYS 16 H LYS 16 -7.553 0.914 -15.068 127 HA LYS 16 HA LYS 16 -9.811 1.425 -13.568 128 1HB LYS 16 2HB LYS 16 -8.946 2.463 -16.285 129 2HB LYS 16 1HB LYS 16 -10.377 3.084 -15.486 130 1HG LYS 16 2HG LYS 16 -9.083 3.838 -13.571 131 2HG LYS 16 1HG LYS 16 -7.672 2.937 -14.087 132 1HD LYS 16 2HD LYS 16 -7.181 5.169 -14.718 133 2HD LYS 16 1HD LYS 16 -7.680 4.408 -16.212 134 1HE LYS 16 2HE LYS 16 -10.102 5.302 -15.515 135 2HE LYS 16 1HE LYS 16 -9.172 6.407 -14.513 136 1HZ LYS 16 2HZ LYS 16 -7.903 6.997 -16.525 137 2HZ LYS 16 1HZ LYS 16 -8.974 6.051 -17.442 138 3HZ LYS 16 3HZ LYS 16 -9.550 7.412 -16.601 139 HA HYP 17 HA HYP 17 -12.875 -0.205 -16.842 140 1HB HYP 17 1HB HYP 17 -12.245 -0.510 -19.031 141 2HB HYP 17 2HB HYP 17 -11.843 -2.164 -18.617 142 1HD HYP 17 1HD1 HYP 17 -9.160 0.718 -17.304 143 2HD HYP 17 2HD1 HYP 17 -8.948 -0.946 -16.758 144 HOD HYP 17 HD2 HYP 17 -9.202 0.624 -19.365 145 HG HYP 17 HG HYP 17 -9.610 -1.648 -18.906 146 H MET 18 H MET 18 -10.329 -2.316 -15.742 147 HA MET 18 HA MET 18 -11.893 -4.703 -15.431 148 1HB MET 18 2HB MET 18 -9.233 -3.725 -14.436 149 2HB MET 18 1HB MET 18 -9.974 -5.002 -13.496 150 1HG MET 18 2HG MET 18 -10.096 -5.455 -16.418 151 2HG MET 18 1HG MET 18 -8.491 -5.334 -15.779 152 1HE MET 18 3HE MET 18 -11.654 -7.277 -16.201 153 2HE MET 18 2HE MET 18 -11.533 -8.642 -15.115 154 3HE MET 18 1HE MET 18 -11.881 -7.052 -14.451 155 H LYS 19 H LYS 19 -13.207 -5.346 -13.968 156 HA LYS 19 HA LYS 19 -14.706 -3.743 -12.300 157 1HB LYS 19 2HB LYS 19 -14.081 -6.685 -11.974 158 2HB LYS 19 1HB LYS 19 -15.382 -5.864 -11.139 159 1HG LYS 19 2HG LYS 19 -16.744 -6.081 -12.934 160 2HG LYS 19 1HG LYS 19 -15.633 -5.172 -13.930 161 1HD LYS 19 2HD LYS 19 -15.837 -7.265 -15.031 162 2HD LYS 19 1HD LYS 19 -14.292 -7.361 -14.210 163 1HE LYS 19 2HE LYS 19 -15.381 -8.615 -12.331 164 2HE LYS 19 1HE LYS 19 -16.925 -8.509 -13.163 165 1HZ LYS 19 1HZ LYS 19 -14.701 -9.599 -14.680 166 2HZ LYS 19 3HZ LYS 19 -15.299 -10.552 -13.409 167 3HZ LYS 19 2HZ LYS 19 -16.338 -10.052 -14.656 168 H CYS 20 H CYS 20 -11.683 -5.274 -11.365 169 HA CYS 20 HA CYS 20 -11.873 -5.079 -8.581 170 1HB CYS 20 2HB CYS 20 -9.639 -5.563 -8.533 171 2HB CYS 20 1HB CYS 20 -10.022 -6.052 -10.154 172 H CYS 21 H CYS 21 -11.426 -2.517 -10.859 173 HA CYS 21 HA CYS 21 -10.918 -0.550 -8.666 174 1HB CYS 21 2HB CYS 21 -10.339 -0.361 -11.638 175 2HB CYS 21 1HB CYS 21 -10.028 0.896 -10.474 176 H ALA 22 H ALA 22 -12.593 -1.264 -11.650 177 HA ALA 22 HA ALA 22 -15.096 -0.130 -10.816 178 1HB ALA 22 3HB ALA 22 -13.339 1.483 -12.712 179 2HB ALA 22 2HB ALA 22 -15.089 1.642 -12.737 180 3HB ALA 22 1HB ALA 22 -14.188 2.045 -11.286 No H/Q in entry = 180
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