NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
2454 | 1by0 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 -4.231 21.597 2.737 2 2H ARG 1 2H ARG 1 -4.419 22.733 1.488 3 3H ARG 1 3H ARG 1 -5.386 22.829 2.881 4 HA ARG 1 HA ARG 1 -6.556 20.858 2.331 5 1HB ARG 1 1HB ARG 1 -6.156 22.708 -0.037 6 2HB ARG 1 2HB ARG 1 -7.421 21.480 0.037 7 1HG ARG 1 1HG ARG 1 -8.628 23.210 0.929 8 2HG ARG 1 2HG ARG 1 -7.838 22.687 2.417 9 1HD ARG 1 1HD ARG 1 -6.482 24.520 2.496 10 2HD ARG 1 2HD ARG 1 -6.268 24.558 0.746 11 HE ARG 1 HE ARG 1 -8.953 25.334 1.589 12 1HH1 ARG 1 1HH2 ARG 1 -6.801 27.084 2.952 13 2HH1 ARG 1 2HH2 ARG 1 -6.717 28.404 1.833 14 1HH2 ARG 1 1HH1 ARG 1 -8.382 26.715 -0.697 15 2HH2 ARG 1 2HH1 ARG 1 -7.616 28.197 -0.232 16 H LYS 2 H LYS 2 -4.201 19.606 2.375 17 HA LYS 2 HA LYS 2 -3.509 18.660 -0.332 18 1HB LYS 2 1HB LYS 2 -1.873 19.073 1.673 19 2HB LYS 2 2HB LYS 2 -2.414 17.482 2.210 20 1HG LYS 2 1HG LYS 2 -0.502 17.045 0.873 21 2HG LYS 2 2HG LYS 2 -1.874 16.680 -0.174 22 1HD LYS 2 1HD LYS 2 -0.980 18.121 -1.662 23 2HD LYS 2 2HD LYS 2 -1.440 19.411 -0.553 24 1HE LYS 2 1HE LYS 2 0.849 19.796 -0.789 25 2HE LYS 2 2HE LYS 2 0.808 18.788 0.658 26 1HZ LYS 2 1HZ LYS 2 0.853 17.056 -1.496 27 2HZ LYS 2 2HZ LYS 2 2.008 18.253 -1.847 28 3HZ LYS 2 3HZ LYS 2 2.111 17.366 -0.402 29 H LYS 3 H LYS 3 -6.171 18.067 0.398 30 HA LYS 3 HA LYS 3 -6.288 15.357 1.387 31 1HB LYS 3 1HB LYS 3 -8.612 15.598 1.324 32 2HB LYS 3 2HB LYS 3 -8.079 17.262 1.544 33 1HG LYS 3 1HG LYS 3 -8.289 17.700 -0.839 34 2HG LYS 3 2HG LYS 3 -8.680 16.008 -1.150 35 1HD LYS 3 1HD LYS 3 -10.738 17.343 -1.104 36 2HD LYS 3 2HD LYS 3 -10.707 16.235 0.269 37 1HE LYS 3 1HE LYS 3 -9.396 18.722 0.958 38 2HE LYS 3 2HE LYS 3 -11.024 19.034 0.358 39 1HZ LYS 3 1HZ LYS 3 -11.422 16.912 1.941 40 2HZ LYS 3 2HZ LYS 3 -10.172 17.703 2.777 41 3HZ LYS 3 3HZ LYS 3 -11.618 18.524 2.440 42 H LEU 4 H LEU 4 -5.003 16.348 -1.253 43 HA LEU 4 HA LEU 4 -6.318 14.565 -3.180 44 1HB LEU 4 1HB LEU 4 -5.476 16.793 -3.922 45 2HB LEU 4 2HB LEU 4 -3.839 16.279 -3.509 46 HG LEU 4 HG LEU 4 -4.609 16.030 -5.978 47 1HD1 LEU 4 1HD1 LEU 4 -2.628 14.912 -4.675 48 2HD1 LEU 4 2HD1 LEU 4 -3.615 13.455 -4.787 49 3HD1 LEU 4 3HD1 LEU 4 -3.086 14.276 -6.256 50 1HD2 LEU 4 1HD2 LEU 4 -6.794 14.974 -5.381 51 2HD2 LEU 4 2HD2 LEU 4 -5.834 13.972 -6.469 52 3HD2 LEU 4 3HD2 LEU 4 -5.915 13.581 -4.750 53 H GLU 5 H GLU 5 -2.917 15.043 -2.161 54 HA GLU 5 HA GLU 5 -2.123 12.396 -2.907 55 1HB GLU 5 1HB GLU 5 -0.877 14.364 -0.965 56 2HB GLU 5 2HB GLU 5 -0.073 12.940 -1.624 57 1HG GLU 5 1HG GLU 5 -0.992 14.170 -3.903 58 2HG GLU 5 2HG GLU 5 -0.590 15.551 -2.881 59 H GLU 6 H GLU 6 -3.414 13.868 -0.001 60 HA GLU 6 HA GLU 6 -2.836 11.823 1.878 61 1HB GLU 6 1HB GLU 6 -4.599 14.136 1.693 62 2HB GLU 6 2HB GLU 6 -5.375 12.802 2.548 63 1HG GLU 6 1HG GLU 6 -2.560 13.219 3.304 64 2HG GLU 6 2HG GLU 6 -3.611 14.582 3.690 65 H LEU 7 H LEU 7 -5.921 12.351 0.127 66 HA LEU 7 HA LEU 7 -7.049 9.832 0.771 67 1HB LEU 7 1HB LEU 7 -7.542 11.943 -1.265 68 2HB LEU 7 2HB LEU 7 -8.206 10.347 -1.614 69 HG LEU 7 HG LEU 7 -9.545 12.151 -0.156 70 1HD1 LEU 7 1HD1 LEU 7 -9.397 9.167 0.356 71 2HD1 LEU 7 2HD1 LEU 7 -10.709 10.206 0.911 72 3HD1 LEU 7 3HD1 LEU 7 -10.431 9.984 -0.816 73 1HD2 LEU 7 1HD2 LEU 7 -7.500 11.981 1.505 74 2HD2 LEU 7 2HD2 LEU 7 -9.142 12.062 2.143 75 3HD2 LEU 7 3HD2 LEU 7 -8.313 10.509 2.038 76 H GLU 8 H GLU 8 -4.752 10.775 -1.722 77 HA GLU 8 HA GLU 8 -4.940 8.628 -3.505 78 1HB GLU 8 1HB GLU 8 -2.836 10.487 -2.660 79 2HB GLU 8 2HB GLU 8 -2.197 8.922 -3.168 80 1HG GLU 8 1HG GLU 8 -4.200 9.554 -5.043 81 2HG GLU 8 2HG GLU 8 -3.300 11.052 -4.794 82 H ARG 9 H ARG 9 -3.316 8.759 -0.351 83 HA ARG 9 HA ARG 9 -2.368 6.046 -0.430 84 1HB ARG 9 1HB ARG 9 -2.442 8.242 1.489 85 2HB ARG 9 2HB ARG 9 -2.756 6.686 2.259 86 1HG ARG 9 1HG ARG 9 -0.705 5.923 0.740 87 2HG ARG 9 2HG ARG 9 -0.301 7.638 0.839 88 1HD ARG 9 1HD ARG 9 0.038 7.567 3.135 89 2HD ARG 9 2HD ARG 9 -1.049 6.197 3.357 90 HE ARG 9 HE ARG 9 1.686 5.932 2.169 91 1HH1 ARG 9 1HH1 ARG 9 -1.141 4.327 3.060 92 2HH1 ARG 9 2HH1 ARG 9 -0.348 3.050 3.920 93 1HH2 ARG 9 1HH2 ARG 9 2.796 4.495 3.697 94 2HH2 ARG 9 2HH2 ARG 9 1.881 3.145 4.282 95 H ASP 10 H ASP 10 -5.264 7.601 0.926 96 HA ASP 10 HA ASP 10 -6.442 5.401 2.204 97 1HB ASP 10 1HB ASP 10 -7.418 7.898 0.962 98 2HB ASP 10 2HB ASP 10 -8.620 6.612 1.074 99 H LEU 11 H LEU 11 -6.164 6.076 -1.243 100 HA LEU 11 HA LEU 11 -8.084 4.084 -2.054 101 1HB LEU 11 1HB LEU 11 -7.565 4.709 -4.209 102 2HB LEU 11 2HB LEU 11 -6.935 6.121 -3.365 103 HG LEU 11 HG LEU 11 -4.715 4.763 -3.236 104 1HD1 LEU 11 1HD1 LEU 11 -6.415 2.963 -4.691 105 2HD1 LEU 11 2HD1 LEU 11 -5.107 3.490 -5.752 106 3HD1 LEU 11 3HD1 LEU 11 -4.737 2.729 -4.204 107 1HD2 LEU 11 1HD2 LEU 11 -5.877 6.000 -5.739 108 2HD2 LEU 11 2HD2 LEU 11 -4.803 6.746 -4.557 109 3HD2 LEU 11 3HD2 LEU 11 -4.189 5.497 -5.639 110 H ARG 12 H ARG 12 -4.583 4.130 -1.568 111 HA ARG 12 HA ARG 12 -4.176 1.424 -2.477 112 1HB ARG 12 1HB ARG 12 -2.585 3.589 -1.271 113 2HB ARG 12 2HB ARG 12 -2.064 1.967 -0.810 114 1HG ARG 12 1HG ARG 12 -1.839 1.312 -3.129 115 2HG ARG 12 2HG ARG 12 -2.551 2.832 -3.671 116 1HD ARG 12 1HD ARG 12 -0.565 3.865 -2.230 117 2HD ARG 12 2HD ARG 12 0.179 2.303 -2.569 118 HE ARG 12 HE ARG 12 -0.850 4.029 -4.782 119 1HH1 ARG 12 1HH2 ARG 12 1.955 4.579 -3.837 120 2HH1 ARG 12 2HH2 ARG 12 2.890 3.574 -4.893 121 1HH2 ARG 12 1HH1 ARG 12 0.180 1.659 -5.901 122 2HH2 ARG 12 2HH1 ARG 12 1.885 1.920 -6.062 123 H LYS 13 H LYS 13 -5.170 2.913 0.506 124 HA LYS 13 HA LYS 13 -4.457 0.916 2.373 125 1HB LYS 13 1HB LYS 13 -5.638 3.232 2.716 126 2HB LYS 13 2HB LYS 13 -7.123 2.299 2.529 127 1HG LYS 13 1HG LYS 13 -6.449 0.808 4.352 128 2HG LYS 13 2HG LYS 13 -4.922 1.673 4.518 129 1HD LYS 13 1HD LYS 13 -5.879 3.400 5.645 130 2HD LYS 13 2HD LYS 13 -7.318 3.392 4.624 131 1HE LYS 13 1HE LYS 13 -8.351 1.688 5.879 132 2HE LYS 13 2HE LYS 13 -6.829 1.178 6.609 133 1HZ LYS 13 1HZ LYS 13 -6.988 3.737 7.391 134 2HZ LYS 13 2HZ LYS 13 -8.627 3.306 7.381 135 3HZ LYS 13 3HZ LYS 13 -7.523 2.420 8.320 136 H LEU 14 H LEU 14 -7.237 1.110 0.172 137 HA LEU 14 HA LEU 14 -8.557 -1.219 1.200 138 1HB LEU 14 1HB LEU 14 -8.774 0.480 -1.238 139 2HB LEU 14 2HB LEU 14 -9.448 -1.148 -1.337 140 HG LEU 14 HG LEU 14 -10.064 0.528 1.069 141 1HD1 LEU 14 1HD1 LEU 14 -10.651 1.340 -1.607 142 2HD1 LEU 14 2HD1 LEU 14 -12.158 0.804 -0.861 143 3HD1 LEU 14 3HD1 LEU 14 -11.201 2.076 -0.102 144 1HD2 LEU 14 1HD2 LEU 14 -10.795 -2.004 0.081 145 2HD2 LEU 14 2HD2 LEU 14 -11.517 -1.155 1.449 146 3HD2 LEU 14 3HD2 LEU 14 -12.214 -0.984 -0.162 147 H LYS 15 H LYS 15 -6.756 -0.819 -1.868 148 HA LYS 15 HA LYS 15 -6.554 -3.481 -2.629 149 1HB LYS 15 1HB LYS 15 -5.157 -1.052 -3.228 150 2HB LYS 15 2HB LYS 15 -3.971 -2.343 -3.031 151 1HG LYS 15 1HG LYS 15 -4.514 -2.659 -5.256 152 2HG LYS 15 2HG LYS 15 -5.728 -3.696 -4.507 153 1HD LYS 15 1HD LYS 15 -7.373 -1.877 -4.602 154 2HD LYS 15 2HD LYS 15 -6.162 -0.800 -5.296 155 1HE LYS 15 1HE LYS 15 -5.912 -2.487 -7.183 156 2HE LYS 15 2HE LYS 15 -7.346 -3.290 -6.541 157 1HZ LYS 15 1HZ LYS 15 -8.089 -0.693 -6.637 158 2HZ LYS 15 2HZ LYS 15 -7.128 -0.842 -8.030 159 3HZ LYS 15 3HZ LYS 15 -8.468 -1.861 -7.807 160 H LYS 16 H LYS 16 -4.883 -1.867 0.002 161 HA LYS 16 HA LYS 16 -2.809 -3.729 0.472 162 1HB LYS 16 1HB LYS 16 -4.270 -1.725 2.083 163 2HB LYS 16 2HB LYS 16 -3.519 -3.023 3.011 164 1HG LYS 16 1HG LYS 16 -1.521 -2.432 1.252 165 2HG LYS 16 2HG LYS 16 -2.260 -0.844 1.459 166 1HD LYS 16 1HD LYS 16 -1.683 -0.713 3.681 167 2HD LYS 16 2HD LYS 16 -1.808 -2.455 3.923 168 1HE LYS 16 1HE LYS 16 0.326 -1.586 2.065 169 2HE LYS 16 2HE LYS 16 0.563 -1.133 3.754 170 1HZ LYS 16 1HZ LYS 16 -0.373 -3.798 3.559 171 2HZ LYS 16 2HZ LYS 16 1.018 -3.602 2.604 172 3HZ LYS 16 3HZ LYS 16 1.058 -3.218 4.259 173 H LYS 17 H LYS 17 -6.159 -3.737 1.685 174 HA LYS 17 HA LYS 17 -5.769 -6.390 2.864 175 1HB LYS 17 1HB LYS 17 -7.301 -4.294 3.621 176 2HB LYS 17 2HB LYS 17 -8.488 -5.226 2.707 177 1HG LYS 17 1HG LYS 17 -8.489 -6.954 4.210 178 2HG LYS 17 2HG LYS 17 -6.774 -6.769 4.578 179 1HD LYS 17 1HD LYS 17 -7.534 -5.877 6.534 180 2HD LYS 17 2HD LYS 17 -7.765 -4.423 5.561 181 1HE LYS 17 1HE LYS 17 -10.080 -4.967 5.166 182 2HE LYS 17 2HE LYS 17 -9.886 -6.559 5.899 183 1HZ LYS 17 1HZ LYS 17 -9.043 -5.006 7.879 184 2HZ LYS 17 2HZ LYS 17 -10.164 -3.956 7.158 185 3HZ LYS 17 3HZ LYS 17 -10.663 -5.486 7.700 186 H ILE 18 H ILE 18 -7.936 -4.972 0.371 187 HA ILE 18 HA ILE 18 -9.110 -7.395 -0.434 188 HB ILE 18 HB ILE 18 -10.234 -5.572 -1.255 189 1HG1 ILE 18 1HG1 ILE 18 -9.082 -7.134 -3.148 190 2HG1 ILE 18 2HG1 ILE 18 -10.257 -5.870 -3.495 191 1HG2 ILE 18 1HG2 ILE 18 -7.509 -4.370 -1.435 192 2HG2 ILE 18 2HG2 ILE 18 -8.787 -3.686 -2.440 193 3HG2 ILE 18 3HG2 ILE 18 -8.971 -3.731 -0.689 194 1HD1 ILE 18 1HD1 ILE 18 -7.346 -5.159 -3.324 195 2HD1 ILE 18 2HD1 ILE 18 -7.963 -5.908 -4.796 196 3HD1 ILE 18 3HD1 ILE 18 -8.629 -4.372 -4.239 197 H LYS 19 H LYS 19 -6.310 -5.655 -1.864 198 HA LYS 19 HA LYS 19 -5.723 -7.558 -3.872 199 1HB LYS 19 1HB LYS 19 -4.622 -5.292 -3.558 200 2HB LYS 19 2HB LYS 19 -3.650 -6.027 -2.282 201 1HG LYS 19 1HG LYS 19 -3.393 -7.831 -4.364 202 2HG LYS 19 2HG LYS 19 -3.388 -6.270 -5.187 203 1HD LYS 19 1HD LYS 19 -1.379 -5.679 -4.313 204 2HD LYS 19 2HD LYS 19 -1.781 -6.326 -2.722 205 1HE LYS 19 1HE LYS 19 -1.033 -8.464 -3.249 206 2HE LYS 19 2HE LYS 19 -1.283 -8.237 -4.980 207 1HZ LYS 19 1HZ LYS 19 0.540 -6.391 -4.569 208 2HZ LYS 19 2HZ LYS 19 0.969 -7.440 -3.304 209 3HZ LYS 19 3HZ LYS 19 0.954 -8.004 -4.902 210 H LYS 20 H LYS 20 -5.138 -7.600 -0.426 211 HA LYS 20 HA LYS 20 -3.197 -9.697 -0.365 212 1HB LYS 20 1HB LYS 20 -4.723 -8.181 1.527 213 2HB LYS 20 2HB LYS 20 -4.877 -9.891 1.928 214 1HG LYS 20 1HG LYS 20 -2.199 -9.680 1.317 215 2HG LYS 20 2HG LYS 20 -2.527 -8.135 2.104 216 1HD LYS 20 1HD LYS 20 -2.439 -9.186 4.091 217 2HD LYS 20 2HD LYS 20 -3.883 -10.088 3.630 218 1HE LYS 20 1HE LYS 20 -1.019 -10.890 3.041 219 2HE LYS 20 2HE LYS 20 -2.088 -11.646 4.223 220 1HZ LYS 20 1HZ LYS 20 -2.779 -11.452 1.351 221 2HZ LYS 20 2HZ LYS 20 -1.917 -12.769 1.992 222 3HZ LYS 20 3HZ LYS 20 -3.489 -12.441 2.536 223 H LEU 21 H LEU 21 -6.759 -9.747 -0.180 224 HA LEU 21 HA LEU 21 -7.036 -12.556 0.151 225 1HB LEU 21 1HB LEU 21 -9.302 -12.208 -0.200 226 2HB LEU 21 2HB LEU 21 -8.790 -10.579 0.232 227 HG LEU 21 HG LEU 21 -8.415 -10.282 -2.335 228 1HD1 LEU 21 1HD1 LEU 21 -9.761 -12.900 -2.133 229 2HD1 LEU 21 2HD1 LEU 21 -10.493 -11.786 -3.287 230 3HD1 LEU 21 3HD1 LEU 21 -8.794 -12.232 -3.447 231 1HD2 LEU 21 1HD2 LEU 21 -11.018 -10.349 -0.835 232 2HD2 LEU 21 2HD2 LEU 21 -10.089 -8.953 -1.387 233 3HD2 LEU 21 3HD2 LEU 21 -11.005 -9.918 -2.544 234 H GLU 22 H GLU 22 -6.714 -10.554 -2.742 235 HA GLU 22 HA GLU 22 -7.060 -12.800 -4.553 236 1HB GLU 22 1HB GLU 22 -6.471 -9.894 -4.804 237 2HB GLU 22 2HB GLU 22 -5.931 -10.932 -6.124 238 1HG GLU 22 1HG GLU 22 -8.321 -11.932 -6.041 239 2HG GLU 22 2HG GLU 22 -8.737 -10.490 -5.113 240 H GLU 23 H GLU 23 -4.580 -11.881 -2.529 241 HA GLU 23 HA GLU 23 -2.249 -12.180 -4.116 242 1HB GLU 23 1HB GLU 23 -2.646 -11.601 -1.525 243 2HB GLU 23 2HB GLU 23 -2.240 -13.309 -1.356 244 1HG GLU 23 1HG GLU 23 -0.352 -12.401 -3.167 245 2HG GLU 23 2HG GLU 23 -0.513 -11.046 -2.049 246 H ASP 24 H ASP 24 -1.037 -14.428 -2.592 247 HA ASP 24 HA ASP 24 -0.823 -16.767 -2.751 248 1HB ASP 24 1HB ASP 24 -3.348 -16.611 -2.187 249 2HB ASP 24 2HB ASP 24 -3.607 -16.862 -3.914 250 H ASN 25 H ASN 25 0.432 -15.485 -4.687 251 HA ASN 25 HA ASN 25 -0.546 -16.507 -7.303 252 1HB ASN 25 1HB ASN 25 1.291 -14.331 -6.425 253 2HB ASN 25 2HB ASN 25 1.655 -15.114 -7.962 254 1HD2 ASN 25 2HD2 ASN 25 -0.480 -12.874 -6.373 255 2HD2 ASN 25 1HD2 ASN 25 -1.492 -12.577 -7.703 256 HA PRO 26 HA PRO 26 2.462 -19.700 -7.340 257 1HB PRO 26 1HB PRO 26 2.710 -20.002 -10.061 258 2HB PRO 26 2HB PRO 26 1.308 -20.568 -9.136 259 1HG PRO 26 1HG PRO 26 1.533 -18.206 -10.943 260 2HG PRO 26 2HG PRO 26 0.101 -19.155 -10.510 261 1HD PRO 26 1HD PRO 26 0.800 -16.624 -9.444 262 2HD PRO 26 2HD PRO 26 -0.438 -17.725 -8.802 263 H TRP 27 H TRP 27 3.382 -17.995 -10.316 264 HA TRP 27 HA TRP 27 5.955 -17.213 -9.019 265 1HB TRP 27 1HB TRP 27 6.934 -17.807 -11.393 266 2HB TRP 27 2HB TRP 27 6.695 -19.083 -10.201 267 HD1 TRP 27 HD1 TRP 27 5.100 -17.596 -13.353 268 HE1 TRP 27 HE1 TRP 27 3.524 -19.357 -14.385 269 HE3 TRP 27 HE3 TRP 27 5.301 -21.190 -9.729 270 HZ2 TRP 27 HZ2 TRP 27 2.486 -21.947 -13.755 271 HZ3 TRP 27 HZ3 TRP 27 4.009 -23.291 -9.970 272 HH2 TRP 27 HH2 TRP 27 2.604 -23.674 -11.976 Start of MODEL 2 1 1H ARG 1 1H ARG 1 -3.342 22.044 2.708 2 2H ARG 1 2H ARG 1 -4.775 22.150 1.801 3 3H ARG 1 3H ARG 1 -4.761 22.623 3.434 4 HA ARG 1 HA ARG 1 -4.340 20.357 4.129 5 1HB ARG 1 1HB ARG 1 -6.684 20.944 2.326 6 2HB ARG 1 2HB ARG 1 -6.522 19.369 3.106 7 1HG ARG 1 1HG ARG 1 -5.997 21.178 5.156 8 2HG ARG 1 2HG ARG 1 -7.319 21.929 4.261 9 1HD ARG 1 1HD ARG 1 -8.702 19.986 4.502 10 2HD ARG 1 2HD ARG 1 -7.355 19.028 5.117 11 HE ARG 1 HE ARG 1 -7.506 20.241 7.213 12 1HH1 ARG 1 1HH2 ARG 1 -10.416 19.544 6.300 13 2HH1 ARG 1 2HH2 ARG 1 -11.225 21.002 6.768 14 1HH2 ARG 1 1HH1 ARG 1 -8.294 22.806 7.190 15 2HH2 ARG 1 2HH1 ARG 1 -10.024 22.849 7.273 16 H LYS 2 H LYS 2 -3.076 18.665 3.550 17 HA LYS 2 HA LYS 2 -2.491 18.160 0.722 18 1HB LYS 2 1HB LYS 2 -1.337 17.438 3.308 19 2HB LYS 2 2HB LYS 2 -1.382 16.076 2.191 20 1HG LYS 2 1HG LYS 2 -0.030 17.151 0.614 21 2HG LYS 2 2HG LYS 2 -0.417 18.756 1.233 22 1HD LYS 2 1HD LYS 2 0.981 16.836 3.054 23 2HD LYS 2 2HD LYS 2 1.920 17.617 1.780 24 1HE LYS 2 1HE LYS 2 0.223 19.054 3.843 25 2HE LYS 2 2HE LYS 2 1.983 18.940 3.865 26 1HZ LYS 2 1HZ LYS 2 1.836 19.935 1.534 27 2HZ LYS 2 2HZ LYS 2 0.253 20.375 1.953 28 3HZ LYS 2 3HZ LYS 2 1.564 20.970 2.854 29 H LYS 3 H LYS 3 -5.204 17.754 1.143 30 HA LYS 3 HA LYS 3 -5.712 14.959 1.674 31 1HB LYS 3 1HB LYS 3 -7.962 15.504 1.545 32 2HB LYS 3 2HB LYS 3 -7.283 17.087 1.923 33 1HG LYS 3 1HG LYS 3 -7.167 17.562 -0.538 34 2HG LYS 3 2HG LYS 3 -8.012 16.040 -0.827 35 1HD LYS 3 1HD LYS 3 -9.468 17.449 1.171 36 2HD LYS 3 2HD LYS 3 -9.129 18.586 -0.133 37 1HE LYS 3 1HE LYS 3 -9.898 16.676 -1.712 38 2HE LYS 3 2HE LYS 3 -10.614 15.968 -0.265 39 1HZ LYS 3 1HZ LYS 3 -11.207 18.739 -0.445 40 2HZ LYS 3 2HZ LYS 3 -11.699 17.932 -1.858 41 3HZ LYS 3 3HZ LYS 3 -12.271 17.418 -0.345 42 H LEU 4 H LEU 4 -4.002 16.027 -0.628 43 HA LEU 4 HA LEU 4 -5.372 14.843 -2.938 44 1HB LEU 4 1HB LEU 4 -3.818 16.968 -2.931 45 2HB LEU 4 2HB LEU 4 -2.519 15.774 -2.996 46 HG LEU 4 HG LEU 4 -3.240 16.509 -5.266 47 1HD1 LEU 4 1HD1 LEU 4 -2.667 13.977 -4.394 48 2HD1 LEU 4 2HD1 LEU 4 -4.217 13.718 -5.196 49 3HD1 LEU 4 3HD1 LEU 4 -2.867 14.416 -6.091 50 1HD2 LEU 4 1HD2 LEU 4 -5.803 16.282 -4.121 51 2HD2 LEU 4 2HD2 LEU 4 -5.429 16.654 -5.804 52 3HD2 LEU 4 3HD2 LEU 4 -5.710 14.983 -5.310 53 H GLU 5 H GLU 5 -2.039 14.486 -1.711 54 HA GLU 5 HA GLU 5 -1.747 11.830 -2.717 55 1HB GLU 5 1HB GLU 5 0.344 11.833 -1.626 56 2HB GLU 5 2HB GLU 5 0.060 13.544 -1.943 57 1HG GLU 5 1HG GLU 5 -0.987 13.668 0.380 58 2HG GLU 5 2HG GLU 5 -0.327 12.057 0.664 59 H GLU 6 H GLU 6 -2.932 13.171 0.302 60 HA GLU 6 HA GLU 6 -2.934 10.793 1.862 61 1HB GLU 6 1HB GLU 6 -4.008 13.470 2.041 62 2HB GLU 6 2HB GLU 6 -5.219 12.301 2.570 63 1HG GLU 6 1HG GLU 6 -2.981 11.298 3.768 64 2HG GLU 6 2HG GLU 6 -2.635 13.028 3.806 65 H LEU 7 H LEU 7 -5.430 12.190 -0.279 66 HA LEU 7 HA LEU 7 -7.331 10.097 0.172 67 1HB LEU 7 1HB LEU 7 -6.991 12.284 -1.838 68 2HB LEU 7 2HB LEU 7 -8.150 10.998 -2.176 69 HG LEU 7 HG LEU 7 -8.923 13.123 -0.835 70 1HD1 LEU 7 1HD1 LEU 7 -9.514 10.226 -0.239 71 2HD1 LEU 7 2HD1 LEU 7 -10.380 11.515 0.597 72 3HD1 LEU 7 3HD1 LEU 7 -10.483 11.379 -1.158 73 1HD2 LEU 7 1HD2 LEU 7 -6.999 12.823 0.808 74 2HD2 LEU 7 2HD2 LEU 7 -8.594 12.989 1.543 75 3HD2 LEU 7 3HD2 LEU 7 -7.845 11.399 1.410 76 H GLU 8 H GLU 8 -5.187 10.702 -2.659 77 HA GLU 8 HA GLU 8 -5.750 8.394 -4.113 78 1HB GLU 8 1HB GLU 8 -3.618 8.603 -5.132 79 2HB GLU 8 2HB GLU 8 -4.003 10.245 -4.614 80 1HG GLU 8 1HG GLU 8 -2.000 10.210 -3.560 81 2HG GLU 8 2HG GLU 8 -2.781 9.162 -2.377 82 H ARG 9 H ARG 9 -4.132 8.702 -1.060 83 HA ARG 9 HA ARG 9 -3.086 5.986 -1.046 84 1HB ARG 9 1HB ARG 9 -3.221 8.261 0.898 85 2HB ARG 9 2HB ARG 9 -2.911 6.637 1.513 86 1HG ARG 9 1HG ARG 9 -1.134 6.547 -0.425 87 2HG ARG 9 2HG ARG 9 -1.240 8.306 -0.344 88 1HD ARG 9 1HD ARG 9 -0.005 8.356 1.539 89 2HD ARG 9 2HD ARG 9 -1.063 7.179 2.319 90 HE ARG 9 HE ARG 9 0.915 6.118 0.390 91 1HH1 ARG 9 1HH1 ARG 9 -0.693 4.793 2.733 92 2HH1 ARG 9 2HH1 ARG 9 0.611 4.449 3.820 93 1HH2 ARG 9 1HH2 ARG 9 2.874 6.495 2.171 94 2HH2 ARG 9 2HH2 ARG 9 2.631 5.413 3.502 95 H ASP 10 H ASP 10 -5.806 7.738 0.455 96 HA ASP 10 HA ASP 10 -6.845 5.571 1.964 97 1HB ASP 10 1HB ASP 10 -7.589 8.196 1.506 98 2HB ASP 10 2HB ASP 10 -8.900 7.283 0.758 99 H LEU 11 H LEU 11 -7.221 6.380 -1.468 100 HA LEU 11 HA LEU 11 -9.302 4.463 -1.967 101 1HB LEU 11 1HB LEU 11 -9.028 5.009 -4.219 102 2HB LEU 11 2HB LEU 11 -8.385 6.454 -3.440 103 HG LEU 11 HG LEU 11 -6.110 5.152 -3.511 104 1HD1 LEU 11 1HD1 LEU 11 -7.908 3.413 -4.979 105 2HD1 LEU 11 2HD1 LEU 11 -6.584 3.955 -6.011 106 3HD1 LEU 11 3HD1 LEU 11 -6.236 3.128 -4.492 107 1HD2 LEU 11 1HD2 LEU 11 -7.016 7.211 -4.882 108 2HD2 LEU 11 2HD2 LEU 11 -5.554 6.381 -5.420 109 3HD2 LEU 11 3HD2 LEU 11 -7.099 6.047 -6.204 110 H ARG 12 H ARG 12 -5.803 4.364 -1.883 111 HA ARG 12 HA ARG 12 -5.627 1.650 -2.902 112 1HB ARG 12 1HB ARG 12 -3.472 2.245 -3.185 113 2HB ARG 12 2HB ARG 12 -3.858 3.815 -2.483 114 1HG ARG 12 1HG ARG 12 -3.358 3.002 -0.248 115 2HG ARG 12 2HG ARG 12 -3.120 1.364 -0.860 116 1HD ARG 12 1HD ARG 12 -0.981 1.818 -1.386 117 2HD ARG 12 2HD ARG 12 -1.478 3.208 -2.352 118 HE ARG 12 HE ARG 12 -1.603 4.348 0.039 119 1HH1 ARG 12 1HH2 ARG 12 1.013 4.184 -1.627 120 2HH1 ARG 12 2HH2 ARG 12 2.138 3.745 -0.384 121 1HH2 ARG 12 1HH1 ARG 12 -0.318 2.835 1.888 122 2HH2 ARG 12 2HH1 ARG 12 1.384 2.983 1.605 123 H LYS 13 H LYS 13 -6.101 3.174 0.174 124 HA LYS 13 HA LYS 13 -5.045 1.326 1.992 125 1HB LYS 13 1HB LYS 13 -6.529 3.518 2.315 126 2HB LYS 13 2HB LYS 13 -7.822 2.328 2.477 127 1HG LYS 13 1HG LYS 13 -6.777 1.281 4.333 128 2HG LYS 13 2HG LYS 13 -5.238 2.081 4.018 129 1HD LYS 13 1HD LYS 13 -6.075 3.369 5.773 130 2HD LYS 13 2HD LYS 13 -6.631 4.283 4.369 131 1HE LYS 13 1HE LYS 13 -8.716 2.627 4.586 132 2HE LYS 13 2HE LYS 13 -8.193 2.588 6.270 133 1HZ LYS 13 1HZ LYS 13 -8.660 5.085 4.737 134 2HZ LYS 13 2HZ LYS 13 -9.818 4.366 5.751 135 3HZ LYS 13 3HZ LYS 13 -8.364 4.943 6.404 136 H LEU 14 H LEU 14 -7.902 1.056 -0.043 137 HA LEU 14 HA LEU 14 -8.894 -1.344 1.222 138 1HB LEU 14 1HB LEU 14 -9.707 0.411 -0.896 139 2HB LEU 14 2HB LEU 14 -9.716 -1.247 -1.503 140 HG LEU 14 HG LEU 14 -10.937 -1.817 0.721 141 1HD1 LEU 14 1HD1 LEU 14 -11.131 1.192 0.591 142 2HD1 LEU 14 2HD1 LEU 14 -12.370 0.228 1.396 143 3HD1 LEU 14 3HD1 LEU 14 -10.703 0.179 1.968 144 1HD2 LEU 14 1HD2 LEU 14 -11.878 -1.669 -1.676 145 2HD2 LEU 14 2HD2 LEU 14 -13.036 -1.522 -0.355 146 3HD2 LEU 14 3HD2 LEU 14 -12.485 -0.081 -1.210 147 H LYS 15 H LYS 15 -7.563 -0.917 -2.059 148 HA LYS 15 HA LYS 15 -7.012 -3.510 -2.770 149 1HB LYS 15 1HB LYS 15 -6.173 -1.001 -3.655 150 2HB LYS 15 2HB LYS 15 -4.669 -1.844 -3.284 151 1HG LYS 15 1HG LYS 15 -4.867 -3.054 -5.165 152 2HG LYS 15 2HG LYS 15 -6.423 -3.676 -4.613 153 1HD LYS 15 1HD LYS 15 -7.231 -1.241 -5.385 154 2HD LYS 15 2HD LYS 15 -5.834 -1.400 -6.452 155 1HE LYS 15 1HE LYS 15 -8.142 -3.353 -6.222 156 2HE LYS 15 2HE LYS 15 -7.821 -2.273 -7.577 157 1HZ LYS 15 1HZ LYS 15 -5.692 -3.403 -7.898 158 2HZ LYS 15 2HZ LYS 15 -6.062 -4.473 -6.636 159 3HZ LYS 15 3HZ LYS 15 -7.000 -4.474 -8.053 160 H LYS 16 H LYS 16 -5.427 -1.658 -0.271 161 HA LYS 16 HA LYS 16 -3.061 -3.195 0.043 162 1HB LYS 16 1HB LYS 16 -4.687 -1.405 1.769 163 2HB LYS 16 2HB LYS 16 -3.608 -2.521 2.606 164 1HG LYS 16 1HG LYS 16 -2.221 -1.374 0.363 165 2HG LYS 16 2HG LYS 16 -2.920 -0.080 1.338 166 1HD LYS 16 1HD LYS 16 -1.470 -2.348 2.679 167 2HD LYS 16 2HD LYS 16 -0.556 -1.013 1.973 168 1HE LYS 16 1HE LYS 16 -2.715 0.125 3.435 169 2HE LYS 16 2HE LYS 16 -1.960 -1.082 4.474 170 1HZ LYS 16 1HZ LYS 16 0.029 0.377 3.114 171 2HZ LYS 16 2HZ LYS 16 -1.030 1.462 3.877 172 3HZ LYS 16 3HZ LYS 16 -0.246 0.257 4.783 173 H LYS 17 H LYS 17 -6.205 -3.547 1.701 174 HA LYS 17 HA LYS 17 -5.416 -6.130 2.802 175 1HB LYS 17 1HB LYS 17 -7.497 -4.184 3.267 176 2HB LYS 17 2HB LYS 17 -8.199 -5.793 3.091 177 1HG LYS 17 1HG LYS 17 -6.905 -6.677 4.870 178 2HG LYS 17 2HG LYS 17 -5.797 -5.303 4.853 179 1HD LYS 17 1HD LYS 17 -7.264 -5.003 6.742 180 2HD LYS 17 2HD LYS 17 -7.755 -3.838 5.512 181 1HE LYS 17 1HE LYS 17 -9.786 -4.797 5.276 182 2HE LYS 17 2HE LYS 17 -9.094 -6.416 5.190 183 1HZ LYS 17 1HZ LYS 17 -8.769 -6.187 7.678 184 2HZ LYS 17 2HZ LYS 17 -9.817 -4.858 7.596 185 3HZ LYS 17 3HZ LYS 17 -10.364 -6.397 7.133 186 H ILE 18 H ILE 18 -7.825 -4.997 0.415 187 HA ILE 18 HA ILE 18 -8.827 -7.543 -0.287 188 HB ILE 18 HB ILE 18 -10.165 -5.877 -1.124 189 1HG1 ILE 18 1HG1 ILE 18 -8.164 -6.367 -3.335 190 2HG1 ILE 18 2HG1 ILE 18 -9.718 -7.167 -3.095 191 1HG2 ILE 18 1HG2 ILE 18 -7.600 -4.376 -1.313 192 2HG2 ILE 18 2HG2 ILE 18 -8.939 -3.837 -2.323 193 3HG2 ILE 18 3HG2 ILE 18 -9.126 -3.901 -0.573 194 1HD1 ILE 18 1HD1 ILE 18 -10.618 -4.662 -3.234 195 2HD1 ILE 18 2HD1 ILE 18 -9.129 -4.431 -4.150 196 3HD1 ILE 18 3HD1 ILE 18 -10.326 -5.604 -4.697 197 H LYS 19 H LYS 19 -6.402 -5.545 -2.003 198 HA LYS 19 HA LYS 19 -5.673 -7.565 -3.874 199 1HB LYS 19 1HB LYS 19 -5.053 -4.959 -3.648 200 2HB LYS 19 2HB LYS 19 -3.583 -5.649 -2.964 201 1HG LYS 19 1HG LYS 19 -3.380 -7.107 -4.987 202 2HG LYS 19 2HG LYS 19 -4.768 -6.268 -5.683 203 1HD LYS 19 1HD LYS 19 -3.601 -4.268 -5.942 204 2HD LYS 19 2HD LYS 19 -2.438 -4.665 -4.678 205 1HE LYS 19 1HE LYS 19 -1.141 -5.024 -6.572 206 2HE LYS 19 2HE LYS 19 -1.803 -6.639 -6.322 207 1HZ LYS 19 1HZ LYS 19 -3.491 -4.891 -7.873 208 2HZ LYS 19 2HZ LYS 19 -1.998 -5.236 -8.607 209 3HZ LYS 19 3HZ LYS 19 -3.040 -6.501 -8.161 210 H LYS 20 H LYS 20 -5.012 -7.261 -0.527 211 HA LYS 20 HA LYS 20 -2.525 -8.751 -0.525 212 1HB LYS 20 1HB LYS 20 -2.858 -7.322 1.345 213 2HB LYS 20 2HB LYS 20 -4.483 -7.947 1.629 214 1HG LYS 20 1HG LYS 20 -3.677 -9.998 2.475 215 2HG LYS 20 2HG LYS 20 -2.074 -9.755 1.778 216 1HD LYS 20 1HD LYS 20 -1.367 -8.647 3.609 217 2HD LYS 20 2HD LYS 20 -2.768 -7.575 3.566 218 1HE LYS 20 1HE LYS 20 -2.693 -8.896 5.663 219 2HE LYS 20 2HE LYS 20 -4.126 -9.274 4.707 220 1HZ LYS 20 1HZ LYS 20 -2.283 -11.004 3.753 221 2HZ LYS 20 2HZ LYS 20 -1.899 -10.947 5.409 222 3HZ LYS 20 3HZ LYS 20 -3.464 -11.377 4.916 223 H LEU 21 H LEU 21 -5.896 -9.548 0.391 224 HA LEU 21 HA LEU 21 -5.451 -12.275 0.974 225 1HB LEU 21 1HB LEU 21 -7.782 -12.512 0.930 226 2HB LEU 21 2HB LEU 21 -7.573 -10.798 1.272 227 HG LEU 21 HG LEU 21 -7.687 -10.493 -1.305 228 1HD1 LEU 21 1HD1 LEU 21 -7.866 -13.294 -1.163 229 2HD1 LEU 21 2HD1 LEU 21 -9.502 -12.752 -1.533 230 3HD1 LEU 21 3HD1 LEU 21 -8.164 -12.293 -2.585 231 1HD2 LEU 21 1HD2 LEU 21 -9.578 -10.416 0.739 232 2HD2 LEU 21 2HD2 LEU 21 -9.775 -9.739 -0.876 233 3HD2 LEU 21 3HD2 LEU 21 -10.363 -11.364 -0.524 234 H GLU 22 H GLU 22 -6.131 -10.678 -2.113 235 HA GLU 22 HA GLU 22 -6.363 -13.088 -3.646 236 1HB GLU 22 1HB GLU 22 -6.153 -10.200 -4.194 237 2HB GLU 22 2HB GLU 22 -5.489 -11.233 -5.462 238 1HG GLU 22 1HG GLU 22 -7.812 -12.549 -4.884 239 2HG GLU 22 2HG GLU 22 -8.293 -10.877 -4.599 240 H GLU 23 H GLU 23 -3.603 -11.098 -2.703 241 HA GLU 23 HA GLU 23 -1.803 -12.664 -4.408 242 1HB GLU 23 1HB GLU 23 -1.567 -10.203 -2.743 243 2HB GLU 23 2HB GLU 23 -0.101 -11.146 -3.024 244 1HG GLU 23 1HG GLU 23 -0.480 -11.037 -5.452 245 2HG GLU 23 2HG GLU 23 -1.965 -10.123 -5.188 246 H ASP 24 H ASP 24 -0.714 -11.683 -1.252 247 HA ASP 24 HA ASP 24 0.106 -12.955 0.541 248 1HB ASP 24 1HB ASP 24 -2.355 -14.374 -0.367 249 2HB ASP 24 2HB ASP 24 -1.279 -15.248 0.724 250 H ASN 25 H ASN 25 1.671 -13.142 -1.679 251 HA ASN 25 HA ASN 25 2.136 -16.025 -2.209 252 1HB ASN 25 1HB ASN 25 2.668 -13.517 -3.618 253 2HB ASN 25 2HB ASN 25 4.074 -14.584 -3.585 254 1HD2 ASN 25 2HD2 ASN 25 2.523 -14.031 -5.989 255 2HD2 ASN 25 1HD2 ASN 25 1.816 -15.494 -6.482 256 HA PRO 26 HA PRO 26 5.739 -16.269 0.282 257 1HB PRO 26 1HB PRO 26 7.432 -17.722 -1.322 258 2HB PRO 26 2HB PRO 26 6.021 -18.419 -0.507 259 1HG PRO 26 1HG PRO 26 6.382 -17.749 -3.389 260 2HG PRO 26 2HG PRO 26 5.321 -18.955 -2.641 261 1HD PRO 26 1HD PRO 26 4.528 -16.412 -3.613 262 2HD PRO 26 2HD PRO 26 3.556 -17.493 -2.590 263 H TRP 27 H TRP 27 7.467 -16.235 -2.813 264 HA TRP 27 HA TRP 27 8.450 -13.488 -2.305 265 1HB TRP 27 1HB TRP 27 10.059 -14.827 -1.081 266 2HB TRP 27 2HB TRP 27 10.231 -15.938 -2.438 267 HD1 TRP 27 HD1 TRP 27 11.047 -12.343 -1.393 268 HE1 TRP 27 HE1 TRP 27 12.945 -11.461 -2.898 269 HE3 TRP 27 HE3 TRP 27 11.434 -16.222 -4.691 270 HZ2 TRP 27 HZ2 TRP 27 14.432 -12.290 -5.197 271 HZ3 TRP 27 HZ3 TRP 27 13.096 -16.150 -6.527 272 HH2 TRP 27 HH2 TRP 27 14.595 -14.191 -6.784 Start of MODEL 3 1 1H ARG 1 1H ARG 1 -5.076 22.310 0.824 2 2H ARG 1 2H ARG 1 -6.607 22.747 1.417 3 3H ARG 1 3H ARG 1 -5.205 23.191 2.268 4 HA ARG 1 HA ARG 1 -5.336 21.343 3.452 5 1HB ARG 1 1HB ARG 1 -7.490 20.392 1.544 6 2HB ARG 1 2HB ARG 1 -7.236 19.869 3.210 7 1HG ARG 1 1HG ARG 1 -7.469 22.749 3.093 8 2HG ARG 1 2HG ARG 1 -8.868 21.992 2.329 9 1HD ARG 1 1HD ARG 1 -9.178 20.569 4.333 10 2HD ARG 1 2HD ARG 1 -7.805 21.366 5.099 11 HE ARG 1 HE ARG 1 -10.256 22.885 4.300 12 1HH1 ARG 1 1HH1 ARG 1 -8.651 21.467 6.894 13 2HH1 ARG 1 2HH1 ARG 1 -8.691 22.869 7.909 14 1HH2 ARG 1 1HH2 ARG 1 -9.920 24.957 5.430 15 2HH2 ARG 1 2HH2 ARG 1 -9.409 24.844 7.082 16 H LYS 2 H LYS 2 -4.265 19.349 3.487 17 HA LYS 2 HA LYS 2 -2.967 18.572 0.951 18 1HB LYS 2 1HB LYS 2 -2.393 18.300 3.808 19 2HB LYS 2 2HB LYS 2 -2.112 16.804 2.916 20 1HG LYS 2 1HG LYS 2 -0.927 18.421 1.193 21 2HG LYS 2 2HG LYS 2 -0.786 19.474 2.602 22 1HD LYS 2 1HD LYS 2 0.563 17.959 3.765 23 2HD LYS 2 2HD LYS 2 0.002 16.581 2.818 24 1HE LYS 2 1HE LYS 2 1.637 16.866 1.292 25 2HE LYS 2 2HE LYS 2 1.253 18.578 1.119 26 1HZ LYS 2 1HZ LYS 2 2.410 18.621 3.487 27 2HZ LYS 2 2HZ LYS 2 3.216 17.276 2.835 28 3HZ LYS 2 3HZ LYS 2 3.290 18.777 2.041 29 H LYS 3 H LYS 3 -5.734 18.037 0.973 30 HA LYS 3 HA LYS 3 -6.012 15.192 1.599 31 1HB LYS 3 1HB LYS 3 -7.815 17.405 1.314 32 2HB LYS 3 2HB LYS 3 -8.292 16.130 0.192 33 1HG LYS 3 1HG LYS 3 -9.116 14.897 1.882 34 2HG LYS 3 2HG LYS 3 -7.565 14.957 2.721 35 1HD LYS 3 1HD LYS 3 -8.131 17.054 3.774 36 2HD LYS 3 2HD LYS 3 -9.594 17.203 2.799 37 1HE LYS 3 1HE LYS 3 -10.037 14.776 3.909 38 2HE LYS 3 2HE LYS 3 -9.080 15.521 5.191 39 1HZ LYS 3 1HZ LYS 3 -11.333 16.962 3.941 40 2HZ LYS 3 2HZ LYS 3 -11.599 15.864 5.209 41 3HZ LYS 3 3HZ LYS 3 -10.612 17.221 5.459 42 H LEU 4 H LEU 4 -4.275 16.315 -0.565 43 HA LEU 4 HA LEU 4 -5.511 15.211 -2.994 44 1HB LEU 4 1HB LEU 4 -4.218 17.272 -3.251 45 2HB LEU 4 2HB LEU 4 -2.807 16.503 -2.525 46 HG LEU 4 HG LEU 4 -2.977 16.634 -5.134 47 1HD1 LEU 4 1HD1 LEU 4 -1.505 15.139 -3.473 48 2HD1 LEU 4 2HD1 LEU 4 -2.443 13.845 -4.220 49 3HD1 LEU 4 3HD1 LEU 4 -1.455 14.909 -5.222 50 1HD2 LEU 4 1HD2 LEU 4 -5.363 15.553 -4.897 51 2HD2 LEU 4 2HD2 LEU 4 -4.310 15.042 -6.218 52 3HD2 LEU 4 3HD2 LEU 4 -4.461 14.043 -4.772 53 H GLU 5 H GLU 5 -2.224 14.827 -1.673 54 HA GLU 5 HA GLU 5 -1.973 12.156 -2.689 55 1HB GLU 5 1HB GLU 5 0.168 12.177 -1.712 56 2HB GLU 5 2HB GLU 5 -0.129 13.883 -2.039 57 1HG GLU 5 1HG GLU 5 0.560 13.998 0.175 58 2HG GLU 5 2HG GLU 5 -1.183 13.832 0.391 59 H GLU 6 H GLU 6 -3.091 13.569 0.310 60 HA GLU 6 HA GLU 6 -2.957 11.356 2.048 61 1HB GLU 6 1HB GLU 6 -4.377 13.872 1.925 62 2HB GLU 6 2HB GLU 6 -5.449 12.605 2.524 63 1HG GLU 6 1HG GLU 6 -2.660 12.773 3.611 64 2HG GLU 6 2HG GLU 6 -3.876 13.908 4.198 65 H LEU 7 H LEU 7 -5.876 12.315 0.193 66 HA LEU 7 HA LEU 7 -7.220 9.843 0.589 67 1HB LEU 7 1HB LEU 7 -7.507 12.129 -1.329 68 2HB LEU 7 2HB LEU 7 -8.439 10.656 -1.599 69 HG LEU 7 HG LEU 7 -9.495 12.523 -0.130 70 1HD1 LEU 7 1HD1 LEU 7 -9.691 9.713 -0.163 71 2HD1 LEU 7 2HD1 LEU 7 -9.670 10.163 1.542 72 3HD1 LEU 7 3HD1 LEU 7 -10.886 10.850 0.463 73 1HD2 LEU 7 1HD2 LEU 7 -7.472 12.878 1.262 74 2HD2 LEU 7 2HD2 LEU 7 -8.857 12.400 2.244 75 3HD2 LEU 7 3HD2 LEU 7 -7.604 11.223 1.855 76 H GLU 8 H GLU 8 -5.196 10.984 -2.129 77 HA GLU 8 HA GLU 8 -5.496 8.891 -3.924 78 1HB GLU 8 1HB GLU 8 -2.939 10.278 -3.060 79 2HB GLU 8 2HB GLU 8 -3.039 9.201 -4.454 80 1HG GLU 8 1HG GLU 8 -5.102 11.327 -4.327 81 2HG GLU 8 2HG GLU 8 -3.450 11.879 -4.613 82 H ARG 9 H ARG 9 -3.814 8.883 -0.843 83 HA ARG 9 HA ARG 9 -2.729 6.213 -1.179 84 1HB ARG 9 1HB ARG 9 -2.906 8.210 1.044 85 2HB ARG 9 2HB ARG 9 -2.571 6.528 1.451 86 1HG ARG 9 1HG ARG 9 -0.941 7.196 -0.787 87 2HG ARG 9 2HG ARG 9 -0.766 8.492 0.397 88 1HD ARG 9 1HD ARG 9 0.062 7.058 2.045 89 2HD ARG 9 2HD ARG 9 -0.664 5.630 1.306 90 HE ARG 9 HE ARG 9 1.293 5.399 0.020 91 1HH1 ARG 9 1HH1 ARG 9 0.812 8.361 -0.932 92 2HH1 ARG 9 2HH1 ARG 9 2.381 9.019 -0.609 93 1HH2 ARG 9 1HH2 ARG 9 3.387 6.346 1.358 94 2HH2 ARG 9 2HH2 ARG 9 3.840 7.877 0.687 95 H ASP 10 H ASP 10 -5.478 7.678 0.531 96 HA ASP 10 HA ASP 10 -6.497 5.391 1.811 97 1HB ASP 10 1HB ASP 10 -7.338 7.978 1.534 98 2HB ASP 10 2HB ASP 10 -8.534 7.124 0.556 99 H LEU 11 H LEU 11 -6.672 6.326 -1.592 100 HA LEU 11 HA LEU 11 -8.687 4.414 -2.323 101 1HB LEU 11 1HB LEU 11 -8.269 5.066 -4.519 102 2HB LEU 11 2HB LEU 11 -7.683 6.475 -3.635 103 HG LEU 11 HG LEU 11 -5.406 5.150 -3.621 104 1HD1 LEU 11 1HD1 LEU 11 -7.115 3.651 -5.498 105 2HD1 LEU 11 2HD1 LEU 11 -5.538 4.096 -6.148 106 3HD1 LEU 11 3HD1 LEU 11 -5.645 3.146 -4.667 107 1HD2 LEU 11 1HD2 LEU 11 -6.481 7.217 -5.128 108 2HD2 LEU 11 2HD2 LEU 11 -4.782 6.744 -5.106 109 3HD2 LEU 11 3HD2 LEU 11 -5.857 6.111 -6.353 110 H ARG 12 H ARG 12 -5.183 4.314 -2.044 111 HA ARG 12 HA ARG 12 -4.973 1.629 -3.138 112 1HB ARG 12 1HB ARG 12 -3.183 3.768 -2.261 113 2HB ARG 12 2HB ARG 12 -2.631 2.172 -1.750 114 1HG ARG 12 1HG ARG 12 -3.623 2.297 -4.527 115 2HG ARG 12 2HG ARG 12 -2.158 3.234 -4.223 116 1HD ARG 12 1HD ARG 12 -1.024 1.297 -3.331 117 2HD ARG 12 2HD ARG 12 -2.507 0.344 -3.396 118 HE ARG 12 HE ARG 12 -1.729 -0.196 -5.559 119 1HH1 ARG 12 1HH2 ARG 12 0.661 1.659 -5.442 120 2HH1 ARG 12 2HH2 ARG 12 0.337 2.726 -6.768 121 1HH2 ARG 12 1HH1 ARG 12 -3.000 1.819 -7.026 122 2HH2 ARG 12 2HH1 ARG 12 -1.736 2.817 -7.664 123 H LYS 13 H LYS 13 -5.617 3.071 -0.075 124 HA LYS 13 HA LYS 13 -4.593 1.135 1.713 125 1HB LYS 13 1HB LYS 13 -6.210 3.405 1.909 126 2HB LYS 13 2HB LYS 13 -7.225 2.094 2.511 127 1HG LYS 13 1HG LYS 13 -5.891 1.712 4.330 128 2HG LYS 13 2HG LYS 13 -4.409 2.086 3.447 129 1HD LYS 13 1HD LYS 13 -4.465 4.276 4.037 130 2HD LYS 13 2HD LYS 13 -6.209 4.391 3.792 131 1HE LYS 13 1HE LYS 13 -6.512 3.116 5.950 132 2HE LYS 13 2HE LYS 13 -4.775 3.269 6.213 133 1HZ LYS 13 1HZ LYS 13 -6.256 5.699 5.567 134 2HZ LYS 13 2HZ LYS 13 -6.487 5.043 7.114 135 3HZ LYS 13 3HZ LYS 13 -4.928 5.480 6.602 136 H LEU 14 H LEU 14 -7.390 1.016 -0.403 137 HA LEU 14 HA LEU 14 -8.624 -1.243 0.907 138 1HB LEU 14 1HB LEU 14 -9.045 0.320 -1.568 139 2HB LEU 14 2HB LEU 14 -9.539 -1.370 -1.663 140 HG LEU 14 HG LEU 14 -10.321 0.223 0.752 141 1HD1 LEU 14 1HD1 LEU 14 -10.853 1.483 -1.462 142 2HD1 LEU 14 2HD1 LEU 14 -12.037 0.202 -1.725 143 3HD1 LEU 14 3HD1 LEU 14 -12.163 1.240 -0.304 144 1HD2 LEU 14 1HD2 LEU 14 -10.861 -2.350 -0.389 145 2HD2 LEU 14 2HD2 LEU 14 -11.452 -1.686 1.135 146 3HD2 LEU 14 3HD2 LEU 14 -12.368 -1.434 -0.350 147 H LYS 15 H LYS 15 -7.156 -1.085 -2.340 148 HA LYS 15 HA LYS 15 -6.784 -3.753 -2.876 149 1HB LYS 15 1HB LYS 15 -5.524 -1.297 -3.712 150 2HB LYS 15 2HB LYS 15 -4.308 -2.567 -3.566 151 1HG LYS 15 1HG LYS 15 -6.195 -3.994 -4.809 152 2HG LYS 15 2HG LYS 15 -6.664 -2.397 -5.394 153 1HD LYS 15 1HD LYS 15 -3.769 -2.839 -5.497 154 2HD LYS 15 2HD LYS 15 -4.674 -3.983 -6.489 155 1HE LYS 15 1HE LYS 15 -4.763 -2.348 -8.047 156 2HE LYS 15 2HE LYS 15 -5.935 -1.558 -6.990 157 1HZ LYS 15 1HZ LYS 15 -3.324 -1.061 -6.055 158 2HZ LYS 15 2HZ LYS 15 -3.411 -0.651 -7.700 159 3HZ LYS 15 3HZ LYS 15 -4.489 0.049 -6.591 160 H LYS 16 H LYS 16 -5.167 -1.886 -0.424 161 HA LYS 16 HA LYS 16 -2.910 -3.539 0.050 162 1HB LYS 16 1HB LYS 16 -4.386 -1.462 1.492 163 2HB LYS 16 2HB LYS 16 -3.708 -2.682 2.571 164 1HG LYS 16 1HG LYS 16 -1.585 -2.337 0.965 165 2HG LYS 16 2HG LYS 16 -2.313 -0.741 0.794 166 1HD LYS 16 1HD LYS 16 -2.488 -0.796 3.391 167 2HD LYS 16 2HD LYS 16 -1.286 -2.081 3.286 168 1HE LYS 16 1HE LYS 16 0.302 -0.494 3.124 169 2HE LYS 16 2HE LYS 16 -0.373 -0.054 1.557 170 1HZ LYS 16 1HZ LYS 16 -1.892 0.989 3.745 171 2HZ LYS 16 2HZ LYS 16 -0.286 1.539 3.759 172 3HZ LYS 16 3HZ LYS 16 -1.261 1.789 2.390 173 H LYS 17 H LYS 17 -6.130 -3.637 1.603 174 HA LYS 17 HA LYS 17 -5.519 -6.218 2.830 175 1HB LYS 17 1HB LYS 17 -7.764 -4.258 2.944 176 2HB LYS 17 2HB LYS 17 -8.124 -5.936 3.353 177 1HG LYS 17 1HG LYS 17 -7.130 -5.714 5.359 178 2HG LYS 17 2HG LYS 17 -5.648 -5.132 4.603 179 1HD LYS 17 1HD LYS 17 -6.611 -3.454 6.162 180 2HD LYS 17 2HD LYS 17 -6.561 -2.858 4.502 181 1HE LYS 17 1HE LYS 17 -8.773 -2.475 4.620 182 2HE LYS 17 2HE LYS 17 -9.028 -4.214 4.777 183 1HZ LYS 17 1HZ LYS 17 -8.197 -2.745 7.162 184 2HZ LYS 17 2HZ LYS 17 -9.795 -2.524 6.627 185 3HZ LYS 17 3HZ LYS 17 -9.234 -4.079 7.018 186 H ILE 18 H ILE 18 -7.807 -5.020 0.357 187 HA ILE 18 HA ILE 18 -9.008 -7.493 -0.258 188 HB ILE 18 HB ILE 18 -10.142 -5.762 -1.244 189 1HG1 ILE 18 1HG1 ILE 18 -8.113 -6.554 -3.340 190 2HG1 ILE 18 2HG1 ILE 18 -9.732 -7.216 -3.114 191 1HG2 ILE 18 1HG2 ILE 18 -7.437 -4.531 -1.385 192 2HG2 ILE 18 2HG2 ILE 18 -8.657 -3.932 -2.506 193 3HG2 ILE 18 3HG2 ILE 18 -8.946 -3.860 -0.768 194 1HD1 ILE 18 1HD1 ILE 18 -9.179 -4.314 -3.790 195 2HD1 ILE 18 2HD1 ILE 18 -9.558 -5.542 -4.998 196 3HD1 ILE 18 3HD1 ILE 18 -10.748 -5.117 -3.766 197 H LYS 19 H LYS 19 -6.295 -5.850 -1.924 198 HA LYS 19 HA LYS 19 -5.714 -7.963 -3.721 199 1HB LYS 19 1HB LYS 19 -4.758 -5.553 -3.646 200 2HB LYS 19 2HB LYS 19 -3.563 -6.217 -2.530 201 1HG LYS 19 1HG LYS 19 -3.370 -8.088 -4.418 202 2HG LYS 19 2HG LYS 19 -3.955 -6.775 -5.440 203 1HD LYS 19 1HD LYS 19 -2.129 -5.327 -4.644 204 2HD LYS 19 2HD LYS 19 -1.543 -6.629 -3.607 205 1HE LYS 19 1HE LYS 19 -1.538 -8.003 -5.865 206 2HE LYS 19 2HE LYS 19 -1.449 -6.400 -6.594 207 1HZ LYS 19 1HZ LYS 19 0.352 -6.330 -4.538 208 2HZ LYS 19 2HZ LYS 19 0.566 -7.872 -5.217 209 3HZ LYS 19 3HZ LYS 19 0.716 -6.486 -6.188 210 H LYS 20 H LYS 20 -4.823 -7.476 -0.353 211 HA LYS 20 HA LYS 20 -2.783 -9.464 -0.194 212 1HB LYS 20 1HB LYS 20 -4.464 -7.948 1.695 213 2HB LYS 20 2HB LYS 20 -3.956 -9.529 2.288 214 1HG LYS 20 1HG LYS 20 -1.649 -8.536 1.117 215 2HG LYS 20 2HG LYS 20 -2.367 -7.105 1.859 216 1HD LYS 20 1HD LYS 20 -2.682 -8.572 3.957 217 2HD LYS 20 2HD LYS 20 -1.557 -9.693 3.187 218 1HE LYS 20 1HE LYS 20 -0.286 -8.210 4.629 219 2HE LYS 20 2HE LYS 20 0.075 -7.799 2.953 220 1HZ LYS 20 1HZ LYS 20 -2.061 -6.428 4.469 221 2HZ LYS 20 2HZ LYS 20 -0.451 -5.899 4.523 222 3HZ LYS 20 3HZ LYS 20 -1.286 -5.922 3.044 223 H LEU 21 H LEU 21 -6.307 -9.646 0.252 224 HA LEU 21 HA LEU 21 -6.389 -12.394 1.011 225 1HB LEU 21 1HB LEU 21 -8.684 -12.173 0.910 226 2HB LEU 21 2HB LEU 21 -8.227 -10.474 0.995 227 HG LEU 21 HG LEU 21 -8.156 -10.642 -1.623 228 1HD1 LEU 21 1HD1 LEU 21 -8.712 -13.253 -1.151 229 2HD1 LEU 21 2HD1 LEU 21 -10.349 -12.617 -1.306 230 3HD1 LEU 21 3HD1 LEU 21 -9.196 -12.418 -2.626 231 1HD2 LEU 21 1HD2 LEU 21 -10.163 -9.972 0.304 232 2HD2 LEU 21 2HD2 LEU 21 -9.936 -9.302 -1.313 233 3HD2 LEU 21 3HD2 LEU 21 -10.958 -10.721 -1.083 234 H GLU 22 H GLU 22 -6.463 -10.796 -2.134 235 HA GLU 22 HA GLU 22 -7.078 -13.102 -3.696 236 1HB GLU 22 1HB GLU 22 -5.959 -10.403 -4.201 237 2HB GLU 22 2HB GLU 22 -5.567 -11.633 -5.404 238 1HG GLU 22 1HG GLU 22 -8.392 -11.246 -4.417 239 2HG GLU 22 2HG GLU 22 -7.746 -10.292 -5.753 240 H GLU 23 H GLU 23 -4.319 -12.390 -1.860 241 HA GLU 23 HA GLU 23 -2.247 -13.484 -3.465 242 1HB GLU 23 1HB GLU 23 -2.618 -13.391 -0.460 243 2HB GLU 23 2HB GLU 23 -1.112 -13.848 -1.255 244 1HG GLU 23 1HG GLU 23 -2.269 -11.333 -2.249 245 2HG GLU 23 2HG GLU 23 -1.779 -11.280 -0.555 246 H ASP 24 H ASP 24 -1.640 -15.503 -1.130 247 HA ASP 24 HA ASP 24 -2.095 -17.768 -0.651 248 1HB ASP 24 1HB ASP 24 -4.565 -16.906 -1.102 249 2HB ASP 24 2HB ASP 24 -4.374 -17.830 -2.591 250 H ASN 25 H ASN 25 -0.987 -16.439 -3.363 251 HA ASN 25 HA ASN 25 -0.887 -18.988 -4.909 252 1HB ASN 25 1HB ASN 25 -0.762 -16.107 -5.613 253 2HB ASN 25 2HB ASN 25 0.308 -17.168 -6.531 254 1HD2 ASN 25 2HD2 ASN 25 -3.117 -16.604 -5.696 255 2HD2 ASN 25 1HD2 ASN 25 -3.751 -17.503 -6.989 256 HA PRO 26 HA PRO 26 3.333 -19.527 -3.837 257 1HB PRO 26 1HB PRO 26 4.136 -20.982 -6.027 258 2HB PRO 26 2HB PRO 26 3.138 -21.647 -4.723 259 1HG PRO 26 1HG PRO 26 2.332 -20.856 -7.483 260 2HG PRO 26 2HG PRO 26 1.601 -22.053 -6.401 261 1HD PRO 26 1HD PRO 26 0.619 -19.444 -6.889 262 2HD PRO 26 2HD PRO 26 0.107 -20.522 -5.574 263 H TRP 27 H TRP 27 3.472 -19.282 -7.396 264 HA TRP 27 HA TRP 27 4.954 -16.722 -7.163 265 1HB TRP 27 1HB TRP 27 6.653 -18.539 -7.083 266 2HB TRP 27 2HB TRP 27 6.051 -19.142 -8.626 267 HD1 TRP 27 HD1 TRP 27 6.397 -17.576 -10.783 268 HE1 TRP 27 HE1 TRP 27 8.143 -15.744 -11.279 269 HE3 TRP 27 HE3 TRP 27 8.100 -16.675 -6.053 270 HZ2 TRP 27 HZ2 TRP 27 10.012 -14.111 -9.858 271 HZ3 TRP 27 HZ3 TRP 27 9.862 -14.978 -5.654 272 HH2 TRP 27 HH2 TRP 27 10.819 -13.696 -7.548 Start of MODEL 4 1 1H ARG 1 1H ARG 1 -3.650 22.316 1.260 2 2H ARG 1 2H ARG 1 -4.919 23.344 1.729 3 3H ARG 1 3H ARG 1 -4.430 22.081 2.750 4 HA ARG 1 HA ARG 1 -6.233 21.083 1.840 5 1HB ARG 1 1HB ARG 1 -6.236 23.289 0.222 6 2HB ARG 1 2HB ARG 1 -5.884 22.011 -0.942 7 1HG ARG 1 1HG ARG 1 -7.861 20.780 -0.288 8 2HG ARG 1 2HG ARG 1 -8.164 21.890 1.050 9 1HD ARG 1 1HD ARG 1 -8.560 23.724 -0.513 10 2HD ARG 1 2HD ARG 1 -8.149 22.684 -1.878 11 HE ARG 1 HE ARG 1 -10.189 21.327 -1.262 12 1HH1 ARG 1 1HH1 ARG 1 -10.264 24.602 -1.604 13 2HH1 ARG 1 2HH1 ARG 1 -11.734 24.868 -0.730 14 1HH2 ARG 1 1HH2 ARG 1 -11.891 21.635 0.515 15 2HH2 ARG 1 2HH2 ARG 1 -12.656 23.188 0.471 16 H LYS 2 H LYS 2 -3.960 19.777 2.186 17 HA LYS 2 HA LYS 2 -2.934 18.653 -0.324 18 1HB LYS 2 1HB LYS 2 -1.483 17.321 1.109 19 2HB LYS 2 2HB LYS 2 -1.480 18.989 1.684 20 1HG LYS 2 1HG LYS 2 -2.207 18.304 3.697 21 2HG LYS 2 2HG LYS 2 -3.651 17.623 2.946 22 1HD LYS 2 1HD LYS 2 -2.642 15.503 2.657 23 2HD LYS 2 2HD LYS 2 -1.019 16.148 2.900 24 1HE LYS 2 1HE LYS 2 -2.253 16.844 5.254 25 2HE LYS 2 2HE LYS 2 -3.013 15.295 4.889 26 1HZ LYS 2 1HZ LYS 2 -0.097 15.587 4.646 27 2HZ LYS 2 2HZ LYS 2 -0.792 15.348 6.177 28 3HZ LYS 2 3HZ LYS 2 -1.012 14.192 4.951 29 H LYS 3 H LYS 3 -5.618 18.189 -0.343 30 HA LYS 3 HA LYS 3 -6.131 15.547 0.783 31 1HB LYS 3 1HB LYS 3 -7.740 17.720 -0.325 32 2HB LYS 3 2HB LYS 3 -8.260 16.134 -0.896 33 1HG LYS 3 1HG LYS 3 -9.220 15.701 1.090 34 2HG LYS 3 2HG LYS 3 -7.682 15.963 1.911 35 1HD LYS 3 1HD LYS 3 -8.473 17.884 2.771 36 2HD LYS 3 2HD LYS 3 -8.685 18.517 1.139 37 1HE LYS 3 1HE LYS 3 -10.906 17.503 0.997 38 2HE LYS 3 2HE LYS 3 -10.697 16.769 2.587 39 1HZ LYS 3 1HZ LYS 3 -10.150 19.400 3.005 40 2HZ LYS 3 2HZ LYS 3 -11.439 19.448 1.904 41 3HZ LYS 3 3HZ LYS 3 -11.612 18.618 3.375 42 H LEU 4 H LEU 4 -4.174 16.183 -1.441 43 HA LEU 4 HA LEU 4 -5.254 14.571 -3.647 44 1HB LEU 4 1HB LEU 4 -3.838 16.611 -4.087 45 2HB LEU 4 2HB LEU 4 -2.479 15.754 -3.361 46 HG LEU 4 HG LEU 4 -2.670 15.624 -5.915 47 1HD1 LEU 4 1HD1 LEU 4 -1.767 13.815 -4.014 48 2HD1 LEU 4 2HD1 LEU 4 -2.776 12.823 -5.066 49 3HD1 LEU 4 3HD1 LEU 4 -1.429 13.739 -5.742 50 1HD2 LEU 4 1HD2 LEU 4 -5.225 15.185 -5.673 51 2HD2 LEU 4 2HD2 LEU 4 -4.335 14.254 -6.880 52 3HD2 LEU 4 3HD2 LEU 4 -4.753 13.520 -5.332 53 H GLU 5 H GLU 5 -2.269 14.524 -1.684 54 HA GLU 5 HA GLU 5 -1.824 11.715 -2.195 55 1HB GLU 5 1HB GLU 5 -0.622 13.646 -0.194 56 2HB GLU 5 2HB GLU 5 -0.036 12.004 -0.468 57 1HG GLU 5 1HG GLU 5 -0.250 13.189 -3.020 58 2HG GLU 5 2HG GLU 5 0.510 14.397 -1.985 59 H GLU 6 H GLU 6 -3.376 13.663 0.272 60 HA GLU 6 HA GLU 6 -3.560 11.829 2.394 61 1HB GLU 6 1HB GLU 6 -4.908 14.247 1.568 62 2HB GLU 6 2HB GLU 6 -6.082 13.099 2.210 63 1HG GLU 6 1HG GLU 6 -3.496 13.578 3.669 64 2HG GLU 6 2HG GLU 6 -4.840 14.702 3.866 65 H LEU 7 H LEU 7 -6.198 12.372 0.025 66 HA LEU 7 HA LEU 7 -7.527 9.927 0.635 67 1HB LEU 7 1HB LEU 7 -7.656 11.932 -1.578 68 2HB LEU 7 2HB LEU 7 -8.445 10.373 -1.820 69 HG LEU 7 HG LEU 7 -9.769 12.364 -0.707 70 1HD1 LEU 7 1HD1 LEU 7 -9.806 9.466 -0.398 71 2HD1 LEU 7 2HD1 LEU 7 -10.518 10.281 0.995 72 3HD1 LEU 7 3HD1 LEU 7 -11.154 10.581 -0.622 73 1HD2 LEU 7 1HD2 LEU 7 -7.932 12.653 1.032 74 2HD2 LEU 7 2HD2 LEU 7 -9.563 12.491 1.683 75 3HD2 LEU 7 3HD2 LEU 7 -8.457 11.117 1.722 76 H GLU 8 H GLU 8 -5.222 10.763 -1.973 77 HA GLU 8 HA GLU 8 -5.221 8.445 -3.480 78 1HB GLU 8 1HB GLU 8 -2.998 10.246 -2.563 79 2HB GLU 8 2HB GLU 8 -2.596 8.768 -3.439 80 1HG GLU 8 1HG GLU 8 -4.733 10.578 -4.521 81 2HG GLU 8 2HG GLU 8 -3.039 10.998 -4.771 82 H ARG 9 H ARG 9 -4.092 8.867 -0.197 83 HA ARG 9 HA ARG 9 -2.831 6.259 -0.038 84 1HB ARG 9 1HB ARG 9 -3.554 8.413 1.933 85 2HB ARG 9 2HB ARG 9 -3.027 6.829 2.497 86 1HG ARG 9 1HG ARG 9 -1.300 7.779 0.373 87 2HG ARG 9 2HG ARG 9 -1.378 8.955 1.687 88 1HD ARG 9 1HD ARG 9 0.156 7.652 2.720 89 2HD ARG 9 2HD ARG 9 -1.189 6.556 3.037 90 HE ARG 9 HE ARG 9 -0.012 6.092 0.424 91 1HH1 ARG 9 1HH1 ARG 9 -0.278 5.176 3.710 92 2HH1 ARG 9 2HH1 ARG 9 0.853 3.872 3.589 93 1HH2 ARG 9 1HH2 ARG 9 1.702 4.556 0.299 94 2HH2 ARG 9 2HH2 ARG 9 1.973 3.522 1.661 95 H ASP 10 H ASP 10 -5.891 7.693 1.110 96 HA ASP 10 HA ASP 10 -6.920 5.367 2.364 97 1HB ASP 10 1HB ASP 10 -7.903 7.963 1.601 98 2HB ASP 10 2HB ASP 10 -9.094 6.738 1.163 99 H LEU 11 H LEU 11 -6.510 6.132 -0.995 100 HA LEU 11 HA LEU 11 -8.499 4.249 -1.953 101 1HB LEU 11 1HB LEU 11 -7.932 4.991 -4.062 102 2HB LEU 11 2HB LEU 11 -7.341 6.355 -3.116 103 HG LEU 11 HG LEU 11 -5.112 5.011 -3.003 104 1HD1 LEU 11 1HD1 LEU 11 -6.762 3.379 -4.775 105 2HD1 LEU 11 2HD1 LEU 11 -5.245 3.861 -5.534 106 3HD1 LEU 11 3HD1 LEU 11 -5.226 2.988 -4.002 107 1HD2 LEU 11 1HD2 LEU 11 -5.936 7.081 -4.512 108 2HD2 LEU 11 2HD2 LEU 11 -4.334 6.365 -4.691 109 3HD2 LEU 11 3HD2 LEU 11 -5.632 5.909 -5.794 110 H ARG 12 H ARG 12 -5.021 4.234 -1.365 111 HA ARG 12 HA ARG 12 -4.701 1.541 -2.429 112 1HB ARG 12 1HB ARG 12 -2.544 2.177 -2.539 113 2HB ARG 12 2HB ARG 12 -3.004 3.728 -1.842 114 1HG ARG 12 1HG ARG 12 -2.663 2.875 0.408 115 2HG ARG 12 2HG ARG 12 -2.352 1.254 -0.214 116 1HD ARG 12 1HD ARG 12 -0.566 2.818 -1.641 117 2HD ARG 12 2HD ARG 12 -0.551 3.561 -0.041 118 HE ARG 12 HE ARG 12 0.350 1.529 0.855 119 1HH1 ARG 12 1HH1 ARG 12 -1.441 -0.105 -1.151 120 2HH1 ARG 12 2HH1 ARG 12 -0.199 -0.968 -1.996 121 1HH2 ARG 12 1HH2 ARG 12 2.372 1.031 -0.806 122 2HH2 ARG 12 2HH2 ARG 12 1.957 -0.325 -1.803 123 H LYS 13 H LYS 13 -5.439 3.022 0.606 124 HA LYS 13 HA LYS 13 -4.508 1.105 2.451 125 1HB LYS 13 1HB LYS 13 -6.421 3.268 2.432 126 2HB LYS 13 2HB LYS 13 -7.080 1.897 3.322 127 1HG LYS 13 1HG LYS 13 -5.697 2.286 5.054 128 2HG LYS 13 2HG LYS 13 -4.291 2.258 3.988 129 1HD LYS 13 1HD LYS 13 -4.340 4.558 3.636 130 2HD LYS 13 2HD LYS 13 -6.062 4.680 3.994 131 1HE LYS 13 1HE LYS 13 -5.367 5.448 6.018 132 2HE LYS 13 2HE LYS 13 -5.078 3.746 6.376 133 1HZ LYS 13 1HZ LYS 13 -2.814 4.133 5.323 134 2HZ LYS 13 2HZ LYS 13 -3.139 5.790 5.485 135 3HZ LYS 13 3HZ LYS 13 -3.077 4.800 6.865 136 H LEU 14 H LEU 14 -7.290 1.012 0.287 137 HA LEU 14 HA LEU 14 -8.391 -1.386 1.497 138 1HB LEU 14 1HB LEU 14 -9.238 0.539 -0.418 139 2HB LEU 14 2HB LEU 14 -9.272 -1.037 -1.209 140 HG LEU 14 HG LEU 14 -10.310 -1.478 1.367 141 1HD1 LEU 14 1HD1 LEU 14 -10.524 1.131 1.238 142 2HD1 LEU 14 2HD1 LEU 14 -11.850 0.789 0.127 143 3HD1 LEU 14 3HD1 LEU 14 -11.909 0.184 1.782 144 1HD2 LEU 14 1HD2 LEU 14 -10.954 -1.959 -1.316 145 2HD2 LEU 14 2HD2 LEU 14 -11.819 -2.574 0.092 146 3HD2 LEU 14 3HD2 LEU 14 -12.342 -1.077 -0.680 147 H LYS 15 H LYS 15 -7.276 -0.882 -1.848 148 HA LYS 15 HA LYS 15 -6.862 -3.456 -2.670 149 1HB LYS 15 1HB LYS 15 -5.349 -2.633 -4.264 150 2HB LYS 15 2HB LYS 15 -6.273 -1.195 -3.835 151 1HG LYS 15 1HG LYS 15 -4.465 -0.743 -2.074 152 2HG LYS 15 2HG LYS 15 -3.507 -1.974 -2.898 153 1HD LYS 15 1HD LYS 15 -4.740 0.291 -4.452 154 2HD LYS 15 2HD LYS 15 -3.203 0.510 -3.617 155 1HE LYS 15 1HE LYS 15 -2.098 -1.044 -4.957 156 2HE LYS 15 2HE LYS 15 -3.587 -1.892 -5.375 157 1HZ LYS 15 1HZ LYS 15 -3.247 0.904 -6.208 158 2HZ LYS 15 2HZ LYS 15 -2.455 -0.318 -7.083 159 3HZ LYS 15 3HZ LYS 15 -4.145 -0.340 -6.940 160 H LYS 16 H LYS 16 -5.028 -1.756 -0.243 161 HA LYS 16 HA LYS 16 -2.701 -3.369 -0.155 162 1HB LYS 16 1HB LYS 16 -4.076 -1.495 1.628 163 2HB LYS 16 2HB LYS 16 -3.228 -2.772 2.501 164 1HG LYS 16 1HG LYS 16 -1.364 -2.135 0.621 165 2HG LYS 16 2HG LYS 16 -2.138 -0.567 0.853 166 1HD LYS 16 1HD LYS 16 -0.403 -0.633 2.475 167 2HD LYS 16 2HD LYS 16 -1.876 -0.998 3.375 168 1HE LYS 16 1HE LYS 16 -1.236 -3.496 2.702 169 2HE LYS 16 2HE LYS 16 0.383 -2.804 2.623 170 1HZ LYS 16 1HZ LYS 16 -1.116 -1.996 4.942 171 2HZ LYS 16 2HZ LYS 16 -0.831 -3.667 4.875 172 3HZ LYS 16 3HZ LYS 16 0.474 -2.582 4.826 173 H LYS 17 H LYS 17 -5.718 -3.712 1.727 174 HA LYS 17 HA LYS 17 -4.913 -6.376 2.622 175 1HB LYS 17 1HB LYS 17 -7.122 -4.480 3.218 176 2HB LYS 17 2HB LYS 17 -7.465 -6.194 3.450 177 1HG LYS 17 1HG LYS 17 -5.016 -6.036 4.612 178 2HG LYS 17 2HG LYS 17 -5.626 -4.416 4.949 179 1HD LYS 17 1HD LYS 17 -7.574 -5.290 6.052 180 2HD LYS 17 2HD LYS 17 -7.212 -6.932 5.517 181 1HE LYS 17 1HE LYS 17 -6.125 -7.201 7.476 182 2HE LYS 17 2HE LYS 17 -4.888 -6.123 6.830 183 1HZ LYS 17 1HZ LYS 17 -7.311 -5.205 8.274 184 2HZ LYS 17 2HZ LYS 17 -5.791 -5.409 8.999 185 3HZ LYS 17 3HZ LYS 17 -5.999 -4.251 7.774 186 H ILE 18 H ILE 18 -7.475 -5.013 0.541 187 HA ILE 18 HA ILE 18 -8.719 -7.450 -0.140 188 HB ILE 18 HB ILE 18 -9.982 -5.655 -0.810 189 1HG1 ILE 18 1HG1 ILE 18 -8.247 -6.230 -3.218 190 2HG1 ILE 18 2HG1 ILE 18 -9.799 -6.968 -2.824 191 1HG2 ILE 18 1HG2 ILE 18 -7.328 -4.382 -1.174 192 2HG2 ILE 18 2HG2 ILE 18 -8.652 -3.733 -2.137 193 3HG2 ILE 18 3HG2 ILE 18 -8.774 -3.762 -0.379 194 1HD1 ILE 18 1HD1 ILE 18 -10.324 -4.228 -2.792 195 2HD1 ILE 18 2HD1 ILE 18 -9.243 -4.439 -4.169 196 3HD1 ILE 18 3HD1 ILE 18 -10.751 -5.349 -4.085 197 H LYS 19 H LYS 19 -6.249 -5.603 -1.973 198 HA LYS 19 HA LYS 19 -5.866 -7.437 -4.060 199 1HB LYS 19 1HB LYS 19 -4.726 -5.134 -3.642 200 2HB LYS 19 2HB LYS 19 -3.510 -6.069 -2.771 201 1HG LYS 19 1HG LYS 19 -3.046 -7.407 -4.739 202 2HG LYS 19 2HG LYS 19 -4.380 -6.654 -5.615 203 1HD LYS 19 1HD LYS 19 -3.036 -4.978 -6.275 204 2HD LYS 19 2HD LYS 19 -2.668 -4.590 -4.595 205 1HE LYS 19 1HE LYS 19 -1.318 -6.931 -5.907 206 2HE LYS 19 2HE LYS 19 -0.719 -5.298 -6.202 207 1HZ LYS 19 1HZ LYS 19 -1.226 -5.642 -3.452 208 2HZ LYS 19 2HZ LYS 19 -0.237 -6.909 -3.993 209 3HZ LYS 19 3HZ LYS 19 0.246 -5.296 -4.228 210 H LYS 20 H LYS 20 -4.845 -7.637 -0.718 211 HA LYS 20 HA LYS 20 -2.952 -9.777 -1.089 212 1HB LYS 20 1HB LYS 20 -3.423 -8.167 0.980 213 2HB LYS 20 2HB LYS 20 -4.472 -9.499 1.470 214 1HG LYS 20 1HG LYS 20 -2.565 -11.071 1.215 215 2HG LYS 20 2HG LYS 20 -1.521 -9.710 0.797 216 1HD LYS 20 1HD LYS 20 -1.888 -8.695 2.978 217 2HD LYS 20 2HD LYS 20 -3.059 -9.945 3.399 218 1HE LYS 20 1HE LYS 20 -1.362 -11.166 4.233 219 2HE LYS 20 2HE LYS 20 -0.734 -11.320 2.593 220 1HZ LYS 20 1HZ LYS 20 0.155 -8.921 3.138 221 2HZ LYS 20 2HZ LYS 20 0.071 -9.500 4.734 222 3HZ LYS 20 3HZ LYS 20 1.023 -10.310 3.580 223 H LEU 21 H LEU 21 -6.371 -9.698 -0.060 224 HA LEU 21 HA LEU 21 -6.813 -12.421 0.360 225 1HB LEU 21 1HB LEU 21 -9.085 -11.957 0.134 226 2HB LEU 21 2HB LEU 21 -8.434 -10.352 0.454 227 HG LEU 21 HG LEU 21 -8.218 -10.234 -2.163 228 1HD1 LEU 21 1HD1 LEU 21 -9.555 -12.746 -1.751 229 2HD1 LEU 21 2HD1 LEU 21 -10.639 -11.640 -2.595 230 3HD1 LEU 21 3HD1 LEU 21 -9.051 -12.004 -3.269 231 1HD2 LEU 21 1HD2 LEU 21 -10.304 -9.582 -0.264 232 2HD2 LEU 21 2HD2 LEU 21 -9.761 -8.667 -1.671 233 3HD2 LEU 21 3HD2 LEU 21 -10.999 -9.911 -1.853 234 H GLU 22 H GLU 22 -6.597 -10.674 -2.692 235 HA GLU 22 HA GLU 22 -7.376 -12.872 -4.367 236 1HB GLU 22 1HB GLU 22 -5.483 -10.669 -5.192 237 2HB GLU 22 2HB GLU 22 -6.639 -11.544 -6.194 238 1HG GLU 22 1HG GLU 22 -8.462 -10.557 -4.685 239 2HG GLU 22 2HG GLU 22 -7.214 -9.474 -4.070 240 H GLU 23 H GLU 23 -4.154 -11.551 -3.538 241 HA GLU 23 HA GLU 23 -2.813 -13.823 -4.759 242 1HB GLU 23 1HB GLU 23 -1.924 -11.405 -3.203 243 2HB GLU 23 2HB GLU 23 -0.792 -12.710 -3.564 244 1HG GLU 23 1HG GLU 23 -0.752 -12.239 -5.806 245 2HG GLU 23 2HG GLU 23 -2.442 -11.730 -5.833 246 H ASP 24 H ASP 24 -1.630 -12.781 -1.670 247 HA ASP 24 HA ASP 24 -1.639 -13.842 0.443 248 1HB ASP 24 1HB ASP 24 -4.023 -14.737 -0.669 249 2HB ASP 24 2HB ASP 24 -3.157 -16.228 -0.297 250 H ASN 25 H ASN 25 -0.837 -15.298 -2.559 251 HA ASN 25 HA ASN 25 0.253 -17.773 -1.827 252 1HB ASN 25 1HB ASN 25 1.555 -17.632 -3.810 253 2HB ASN 25 2HB ASN 25 0.105 -16.688 -4.148 254 1HD2 ASN 25 2HD2 ASN 25 3.307 -16.531 -4.721 255 2HD2 ASN 25 1HD2 ASN 25 3.564 -14.857 -4.616 256 HA PRO 26 HA PRO 26 3.626 -16.756 0.792 257 1HB PRO 26 1HB PRO 26 5.063 -19.077 0.458 258 2HB PRO 26 2HB PRO 26 3.588 -18.971 1.434 259 1HG PRO 26 1HG PRO 26 3.969 -20.181 -1.263 260 2HG PRO 26 2HG PRO 26 2.769 -20.569 -0.019 261 1HD PRO 26 1HD PRO 26 2.310 -19.014 -2.342 262 2HD PRO 26 2HD PRO 26 1.228 -19.143 -0.939 263 H TRP 27 H TRP 27 5.079 -18.687 -1.837 264 HA TRP 27 HA TRP 27 7.114 -18.287 -2.976 265 1HB TRP 27 1HB TRP 27 5.513 -17.170 -4.427 266 2HB TRP 27 2HB TRP 27 5.559 -15.723 -3.419 267 HD1 TRP 27 HD1 TRP 27 6.360 -14.530 -5.785 268 HE1 TRP 27 HE1 TRP 27 8.748 -14.207 -6.698 269 HE3 TRP 27 HE3 TRP 27 8.850 -18.057 -3.043 270 HZ2 TRP 27 HZ2 TRP 27 11.362 -15.294 -6.318 271 HZ3 TRP 27 HZ3 TRP 27 11.285 -18.387 -3.341 272 HH2 TRP 27 HH2 TRP 27 12.545 -17.011 -4.974 Start of MODEL 5 1 1H ARG 1 1H ARG 1 -2.010 21.543 3.047 2 2H ARG 1 2H ARG 1 -2.712 23.028 2.611 3 3H ARG 1 3H ARG 1 -3.016 22.359 4.143 4 HA ARG 1 HA ARG 1 -4.635 21.034 3.403 5 1HB ARG 1 1HB ARG 1 -4.237 23.122 1.292 6 2HB ARG 1 2HB ARG 1 -5.412 21.841 0.991 7 1HG ARG 1 1HG ARG 1 -6.804 22.521 2.704 8 2HG ARG 1 2HG ARG 1 -5.480 23.197 3.653 9 1HD ARG 1 1HD ARG 1 -5.278 25.056 2.030 10 2HD ARG 1 2HD ARG 1 -6.631 24.393 1.116 11 HE ARG 1 HE ARG 1 -8.111 25.025 2.920 12 1HH1 ARG 1 1HH1 ARG 1 -6.074 24.593 5.144 13 2HH1 ARG 1 2HH1 ARG 1 -5.813 26.219 5.679 14 1HH2 ARG 1 1HH2 ARG 1 -7.230 27.658 2.860 15 2HH2 ARG 1 2HH2 ARG 1 -6.468 27.954 4.388 16 H LYS 2 H LYS 2 -2.786 19.300 3.256 17 HA LYS 2 HA LYS 2 -2.212 18.464 0.484 18 1HB LYS 2 1HB LYS 2 -1.455 17.152 3.112 19 2HB LYS 2 2HB LYS 2 -0.814 16.741 1.521 20 1HG LYS 2 1HG LYS 2 -0.606 19.548 2.606 21 2HG LYS 2 2HG LYS 2 0.598 18.322 3.004 22 1HD LYS 2 1HD LYS 2 1.368 18.167 0.821 23 2HD LYS 2 2HD LYS 2 -0.169 18.692 0.133 24 1HE LYS 2 1HE LYS 2 1.040 20.631 -0.172 25 2HE LYS 2 2HE LYS 2 0.438 20.933 1.458 26 1HZ LYS 2 1HZ LYS 2 2.806 19.373 1.526 27 2HZ LYS 2 2HZ LYS 2 3.072 20.805 0.659 28 3HZ LYS 2 3HZ LYS 2 2.490 20.875 2.253 29 H LYS 3 H LYS 3 -4.964 18.396 1.085 30 HA LYS 3 HA LYS 3 -5.688 15.699 1.845 31 1HB LYS 3 1HB LYS 3 -7.876 16.452 1.847 32 2HB LYS 3 2HB LYS 3 -7.031 17.987 2.046 33 1HG LYS 3 1HG LYS 3 -7.001 17.968 -0.592 34 2HG LYS 3 2HG LYS 3 -8.362 16.865 -0.397 35 1HD LYS 3 1HD LYS 3 -9.311 18.635 1.234 36 2HD LYS 3 2HD LYS 3 -8.127 19.729 0.516 37 1HE LYS 3 1HE LYS 3 -9.190 19.769 -1.526 38 2HE LYS 3 2HE LYS 3 -9.809 18.126 -1.354 39 1HZ LYS 3 1HZ LYS 3 -10.856 19.927 0.614 40 2HZ LYS 3 2HZ LYS 3 -11.231 20.407 -0.972 41 3HZ LYS 3 3HZ LYS 3 -11.674 18.862 -0.423 42 H LEU 4 H LEU 4 -4.071 16.470 -0.644 43 HA LEU 4 HA LEU 4 -5.723 15.280 -2.760 44 1HB LEU 4 1HB LEU 4 -4.112 17.247 -3.133 45 2HB LEU 4 2HB LEU 4 -2.813 16.062 -2.979 46 HG LEU 4 HG LEU 4 -3.578 16.505 -5.358 47 1HD1 LEU 4 1HD1 LEU 4 -2.532 14.315 -4.342 48 2HD1 LEU 4 2HD1 LEU 4 -4.136 13.642 -4.638 49 3HD1 LEU 4 3HD1 LEU 4 -3.189 14.289 -5.980 50 1HD2 LEU 4 1HD2 LEU 4 -6.069 16.469 -4.426 51 2HD2 LEU 4 2HD2 LEU 4 -5.712 15.920 -6.063 52 3HD2 LEU 4 3HD2 LEU 4 -5.930 14.744 -4.766 53 H GLU 5 H GLU 5 -2.350 14.694 -1.755 54 HA GLU 5 HA GLU 5 -2.375 11.962 -2.605 55 1HB GLU 5 1HB GLU 5 -0.197 11.848 -1.641 56 2HB GLU 5 2HB GLU 5 -0.360 13.504 -2.224 57 1HG GLU 5 1HG GLU 5 -1.149 14.131 0.107 58 2HG GLU 5 2HG GLU 5 -0.656 12.518 0.622 59 H GLU 6 H GLU 6 -3.230 13.602 0.358 60 HA GLU 6 HA GLU 6 -3.117 11.524 2.237 61 1HB GLU 6 1HB GLU 6 -4.393 14.089 2.014 62 2HB GLU 6 2HB GLU 6 -5.548 12.936 2.681 63 1HG GLU 6 1HG GLU 6 -3.188 12.312 4.004 64 2HG GLU 6 2HG GLU 6 -3.149 14.073 3.903 65 H LEU 7 H LEU 7 -6.013 12.387 0.282 66 HA LEU 7 HA LEU 7 -7.303 9.904 0.993 67 1HB LEU 7 1HB LEU 7 -9.020 11.253 0.396 68 2HB LEU 7 2HB LEU 7 -7.962 12.316 -0.531 69 HG LEU 7 HG LEU 7 -7.985 10.751 -2.404 70 1HD1 LEU 7 1HD1 LEU 7 -8.745 8.898 -0.434 71 2HD1 LEU 7 2HD1 LEU 7 -10.160 9.054 -1.475 72 3HD1 LEU 7 3HD1 LEU 7 -8.605 8.588 -2.164 73 1HD2 LEU 7 1HD2 LEU 7 -10.311 12.110 -1.340 74 2HD2 LEU 7 2HD2 LEU 7 -9.793 11.950 -3.018 75 3HD2 LEU 7 3HD2 LEU 7 -10.800 10.703 -2.283 76 H GLU 8 H GLU 8 -5.591 11.133 -1.886 77 HA GLU 8 HA GLU 8 -5.974 9.089 -3.710 78 1HB GLU 8 1HB GLU 8 -3.853 10.993 -3.157 79 2HB GLU 8 2HB GLU 8 -3.178 9.461 -3.710 80 1HG GLU 8 1HG GLU 8 -5.149 9.655 -5.496 81 2HG GLU 8 2HG GLU 8 -4.962 11.377 -5.149 82 H ARG 9 H ARG 9 -4.271 8.979 -0.675 83 HA ARG 9 HA ARG 9 -3.093 6.362 -1.126 84 1HB ARG 9 1HB ARG 9 -3.128 8.403 0.987 85 2HB ARG 9 2HB ARG 9 -3.133 6.748 1.600 86 1HG ARG 9 1HG ARG 9 -1.226 6.326 -0.098 87 2HG ARG 9 2HG ARG 9 -1.094 8.082 -0.179 88 1HD ARG 9 1HD ARG 9 -1.067 7.911 2.448 89 2HD ARG 9 2HD ARG 9 -0.562 6.249 2.137 90 HE ARG 9 HE ARG 9 1.073 7.895 0.536 91 1HH1 ARG 9 1HH1 ARG 9 1.006 9.778 2.810 92 2HH1 ARG 9 2HH1 ARG 9 2.273 9.191 3.835 93 1HH2 ARG 9 1HH2 ARG 9 2.430 6.085 2.304 94 2HH2 ARG 9 2HH2 ARG 9 3.079 7.100 3.550 95 H ASP 10 H ASP 10 -5.918 7.703 0.538 96 HA ASP 10 HA ASP 10 -6.811 5.315 1.791 97 1HB ASP 10 1HB ASP 10 -7.758 7.934 1.519 98 2HB ASP 10 2HB ASP 10 -9.011 6.934 0.786 99 H LEU 11 H LEU 11 -6.925 6.316 -1.557 100 HA LEU 11 HA LEU 11 -8.985 4.438 -2.334 101 1HB LEU 11 1HB LEU 11 -8.708 5.291 -4.452 102 2HB LEU 11 2HB LEU 11 -7.919 6.589 -3.560 103 HG LEU 11 HG LEU 11 -5.763 5.159 -3.827 104 1HD1 LEU 11 1HD1 LEU 11 -7.662 3.504 -5.140 105 2HD1 LEU 11 2HD1 LEU 11 -6.592 4.145 -6.386 106 3HD1 LEU 11 3HD1 LEU 11 -5.920 3.257 -5.019 107 1HD2 LEU 11 1HD2 LEU 11 -6.978 7.184 -5.375 108 2HD2 LEU 11 2HD2 LEU 11 -5.264 6.775 -5.312 109 3HD2 LEU 11 3HD2 LEU 11 -6.305 6.031 -6.527 110 H ARG 12 H ARG 12 -5.475 4.451 -2.193 111 HA ARG 12 HA ARG 12 -5.201 1.808 -3.364 112 1HB ARG 12 1HB ARG 12 -3.399 3.888 -2.213 113 2HB ARG 12 2HB ARG 12 -2.806 2.228 -2.251 114 1HG ARG 12 1HG ARG 12 -4.104 3.020 -4.752 115 2HG ARG 12 2HG ARG 12 -2.703 4.020 -4.364 116 1HD ARG 12 1HD ARG 12 -2.282 1.149 -3.887 117 2HD ARG 12 2HD ARG 12 -2.579 1.555 -5.577 118 HE ARG 12 HE ARG 12 -0.688 3.285 -5.239 119 1HH1 ARG 12 1HH2 ARG 12 -0.292 0.079 -5.092 120 2HH1 ARG 12 2HH2 ARG 12 1.074 0.057 -4.028 121 1HH2 ARG 12 1HH1 ARG 12 0.775 3.396 -3.144 122 2HH2 ARG 12 2HH1 ARG 12 1.679 1.935 -2.925 123 H LYS 13 H LYS 13 -5.761 3.132 -0.221 124 HA LYS 13 HA LYS 13 -4.621 1.180 1.465 125 1HB LYS 13 1HB LYS 13 -6.396 3.338 1.764 126 2HB LYS 13 2HB LYS 13 -7.270 1.936 2.378 127 1HG LYS 13 1HG LYS 13 -5.852 1.659 4.143 128 2HG LYS 13 2HG LYS 13 -4.433 2.115 3.199 129 1HD LYS 13 1HD LYS 13 -5.860 4.474 3.295 130 2HD LYS 13 2HD LYS 13 -6.166 3.779 4.888 131 1HE LYS 13 1HE LYS 13 -3.364 3.612 3.937 132 2HE LYS 13 2HE LYS 13 -3.950 5.235 4.301 133 1HZ LYS 13 1HZ LYS 13 -4.396 3.000 6.177 134 2HZ LYS 13 2HZ LYS 13 -2.936 3.868 6.186 135 3HZ LYS 13 3HZ LYS 13 -4.404 4.668 6.488 136 H LEU 14 H LEU 14 -7.314 0.972 -0.708 137 HA LEU 14 HA LEU 14 -8.548 -1.330 0.512 138 1HB LEU 14 1HB LEU 14 -8.755 0.066 -2.136 139 2HB LEU 14 2HB LEU 14 -9.460 -1.541 -1.954 140 HG LEU 14 HG LEU 14 -10.017 0.610 0.077 141 1HD1 LEU 14 1HD1 LEU 14 -10.711 0.764 -2.672 142 2HD1 LEU 14 2HD1 LEU 14 -12.176 0.319 -1.798 143 3HD1 LEU 14 3HD1 LEU 14 -11.295 1.781 -1.355 144 1HD2 LEU 14 1HD2 LEU 14 -10.631 -2.067 -0.057 145 2HD2 LEU 14 2HD2 LEU 14 -11.544 -0.876 0.871 146 3HD2 LEU 14 3HD2 LEU 14 -12.076 -1.330 -0.747 147 H LYS 15 H LYS 15 -6.834 -1.106 -2.614 148 HA LYS 15 HA LYS 15 -6.344 -3.763 -3.128 149 1HB LYS 15 1HB LYS 15 -4.918 -1.256 -3.710 150 2HB LYS 15 2HB LYS 15 -3.881 -2.682 -3.725 151 1HG LYS 15 1HG LYS 15 -4.822 -3.484 -5.622 152 2HG LYS 15 2HG LYS 15 -6.456 -3.116 -5.065 153 1HD LYS 15 1HD LYS 15 -4.736 -0.794 -5.777 154 2HD LYS 15 2HD LYS 15 -5.301 -1.799 -7.111 155 1HE LYS 15 1HE LYS 15 -7.393 -1.211 -5.137 156 2HE LYS 15 2HE LYS 15 -6.753 0.231 -5.925 157 1HZ LYS 15 1HZ LYS 15 -7.005 -1.296 -8.033 158 2HZ LYS 15 2HZ LYS 15 -8.196 -2.037 -7.074 159 3HZ LYS 15 3HZ LYS 15 -8.305 -0.382 -7.444 160 H LYS 16 H LYS 16 -4.965 -1.853 -0.556 161 HA LYS 16 HA LYS 16 -2.730 -3.475 0.095 162 1HB LYS 16 1HB LYS 16 -2.512 -2.038 1.832 163 2HB LYS 16 2HB LYS 16 -3.911 -1.203 1.161 164 1HG LYS 16 1HG LYS 16 -5.419 -2.453 2.587 165 2HG LYS 16 2HG LYS 16 -4.104 -3.484 3.150 166 1HD LYS 16 1HD LYS 16 -3.222 -1.853 4.520 167 2HD LYS 16 2HD LYS 16 -3.792 -0.535 3.495 168 1HE LYS 16 1HE LYS 16 -5.121 -0.491 5.503 169 2HE LYS 16 2HE LYS 16 -6.148 -1.123 4.216 170 1HZ LYS 16 1HZ LYS 16 -4.661 -3.178 5.531 171 2HZ LYS 16 2HZ LYS 16 -5.652 -2.325 6.612 172 3HZ LYS 16 3HZ LYS 16 -6.333 -3.067 5.244 173 H LYS 17 H LYS 17 -6.067 -3.617 1.356 174 HA LYS 17 HA LYS 17 -5.507 -6.169 2.673 175 1HB LYS 17 1HB LYS 17 -7.569 -4.108 2.806 176 2HB LYS 17 2HB LYS 17 -8.248 -5.737 2.811 177 1HG LYS 17 1HG LYS 17 -6.003 -4.825 4.635 178 2HG LYS 17 2HG LYS 17 -7.701 -4.887 5.107 179 1HD LYS 17 1HD LYS 17 -7.681 -7.336 4.434 180 2HD LYS 17 2HD LYS 17 -5.928 -7.203 4.299 181 1HE LYS 17 1HE LYS 17 -7.252 -6.239 6.808 182 2HE LYS 17 2HE LYS 17 -7.041 -7.975 6.574 183 1HZ LYS 17 1HZ LYS 17 -4.642 -6.950 5.844 184 2HZ LYS 17 2HZ LYS 17 -5.085 -5.954 7.147 185 3HZ LYS 17 3HZ LYS 17 -4.996 -7.638 7.354 186 H ILE 18 H ILE 18 -7.615 -5.010 0.026 187 HA ILE 18 HA ILE 18 -8.802 -7.472 -0.623 188 HB ILE 18 HB ILE 18 -9.813 -5.765 -1.763 189 1HG1 ILE 18 1HG1 ILE 18 -7.615 -6.630 -3.648 190 2HG1 ILE 18 2HG1 ILE 18 -9.256 -7.271 -3.553 191 1HG2 ILE 18 1HG2 ILE 18 -7.092 -4.576 -1.683 192 2HG2 ILE 18 2HG2 ILE 18 -8.191 -3.993 -2.932 193 3HG2 ILE 18 3HG2 ILE 18 -8.644 -3.870 -1.233 194 1HD1 ILE 18 1HD1 ILE 18 -9.938 -4.763 -4.009 195 2HD1 ILE 18 2HD1 ILE 18 -8.303 -4.649 -4.664 196 3HD1 ILE 18 3HD1 ILE 18 -9.452 -5.797 -5.354 197 H LYS 19 H LYS 19 -5.864 -5.970 -2.027 198 HA LYS 19 HA LYS 19 -5.225 -8.137 -3.742 199 1HB LYS 19 1HB LYS 19 -3.215 -7.056 -4.118 200 2HB LYS 19 2HB LYS 19 -4.146 -5.723 -3.438 201 1HG LYS 19 1HG LYS 19 -2.336 -5.560 -2.043 202 2HG LYS 19 2HG LYS 19 -3.193 -6.821 -1.156 203 1HD LYS 19 1HD LYS 19 -1.489 -8.243 -1.515 204 2HD LYS 19 2HD LYS 19 -1.703 -8.068 -3.257 205 1HE LYS 19 1HE LYS 19 -0.420 -5.796 -2.892 206 2HE LYS 19 2HE LYS 19 0.150 -6.583 -1.421 207 1HZ LYS 19 1HZ LYS 19 0.357 -7.742 -4.147 208 2HZ LYS 19 2HZ LYS 19 1.621 -6.950 -3.335 209 3HZ LYS 19 3HZ LYS 19 0.995 -8.399 -2.717 210 H LYS 20 H LYS 20 -4.867 -7.743 -0.305 211 HA LYS 20 HA LYS 20 -2.905 -9.811 0.093 212 1HB LYS 20 1HB LYS 20 -4.556 -8.068 1.747 213 2HB LYS 20 2HB LYS 20 -4.431 -9.693 2.423 214 1HG LYS 20 1HG LYS 20 -1.856 -8.846 1.427 215 2HG LYS 20 2HG LYS 20 -2.494 -7.642 2.548 216 1HD LYS 20 1HD LYS 20 -1.267 -9.269 3.845 217 2HD LYS 20 2HD LYS 20 -2.983 -9.518 4.159 218 1HE LYS 20 1HE LYS 20 -2.936 -11.269 2.304 219 2HE LYS 20 2HE LYS 20 -1.178 -11.143 2.358 220 1HZ LYS 20 1HZ LYS 20 -2.120 -11.391 4.978 221 2HZ LYS 20 2HZ LYS 20 -2.863 -12.602 4.048 222 3HZ LYS 20 3HZ LYS 20 -1.170 -12.486 4.097 223 H LEU 21 H LEU 21 -6.465 -9.775 0.491 224 HA LEU 21 HA LEU 21 -6.835 -12.454 1.220 225 1HB LEU 21 1HB LEU 21 -9.074 -12.159 0.672 226 2HB LEU 21 2HB LEU 21 -8.545 -10.487 0.837 227 HG LEU 21 HG LEU 21 -8.026 -10.653 -1.714 228 1HD1 LEU 21 1HD1 LEU 21 -8.915 -13.265 -1.256 229 2HD1 LEU 21 2HD1 LEU 21 -10.279 -12.472 -2.041 230 3HD1 LEU 21 3HD1 LEU 21 -8.702 -12.498 -2.829 231 1HD2 LEU 21 1HD2 LEU 21 -10.830 -10.586 -0.567 232 2HD2 LEU 21 2HD2 LEU 21 -9.765 -9.209 -0.850 233 3HD2 LEU 21 3HD2 LEU 21 -10.435 -10.103 -2.216 234 H GLU 22 H GLU 22 -6.324 -11.086 -1.994 235 HA GLU 22 HA GLU 22 -6.879 -13.340 -3.582 236 1HB GLU 22 1HB GLU 22 -5.231 -10.914 -3.842 237 2HB GLU 22 2HB GLU 22 -4.651 -12.273 -4.806 238 1HG GLU 22 1HG GLU 22 -7.291 -12.460 -5.332 239 2HG GLU 22 2HG GLU 22 -7.175 -10.723 -5.049 240 H GLU 23 H GLU 23 -3.856 -12.489 -1.903 241 HA GLU 23 HA GLU 23 -2.646 -15.047 -2.656 242 1HB GLU 23 1HB GLU 23 -1.131 -13.191 -2.570 243 2HB GLU 23 2HB GLU 23 -1.699 -12.723 -0.967 244 1HG GLU 23 1HG GLU 23 0.421 -13.880 -0.720 245 2HG GLU 23 2HG GLU 23 -0.859 -14.922 -0.095 246 H ASP 24 H ASP 24 -3.598 -13.425 0.382 247 HA ASP 24 HA ASP 24 -4.217 -14.332 2.453 248 1HB ASP 24 1HB ASP 24 -5.894 -15.474 0.940 249 2HB ASP 24 2HB ASP 24 -4.793 -16.849 0.871 250 H ASN 25 H ASN 25 -1.524 -14.328 2.145 251 HA ASN 25 HA ASN 25 -0.152 -16.794 2.212 252 1HB ASN 25 1HB ASN 25 1.676 -15.585 3.077 253 2HB ASN 25 2HB ASN 25 0.757 -14.358 2.208 254 1HD2 ASN 25 2HD2 ASN 25 2.546 -14.165 4.704 255 2HD2 ASN 25 1HD2 ASN 25 1.568 -13.381 5.851 256 HA PRO 26 HA PRO 26 -1.343 -18.542 6.064 257 1HB PRO 26 1HB PRO 26 0.842 -20.167 6.441 258 2HB PRO 26 2HB PRO 26 -0.447 -20.515 5.278 259 1HG PRO 26 1HG PRO 26 2.319 -19.518 4.772 260 2HG PRO 26 2HG PRO 26 1.256 -20.462 3.715 261 1HD PRO 26 1HD PRO 26 1.735 -17.682 3.517 262 2HD PRO 26 2HD PRO 26 0.425 -18.574 2.713 263 H TRP 27 H TRP 27 2.215 -18.283 6.266 264 HA TRP 27 HA TRP 27 2.124 -16.135 8.231 265 1HB TRP 27 1HB TRP 27 1.720 -18.746 9.204 266 2HB TRP 27 2HB TRP 27 3.405 -18.368 9.567 267 HD1 TRP 27 HD1 TRP 27 -0.153 -17.077 10.189 268 HE1 TRP 27 HE1 TRP 27 -0.120 -15.549 12.264 269 HE3 TRP 27 HE3 TRP 27 4.874 -16.898 11.073 270 HZ2 TRP 27 HZ2 TRP 27 1.785 -14.404 14.065 271 HZ3 TRP 27 HZ3 TRP 27 5.769 -15.583 12.974 272 HH2 TRP 27 HH2 TRP 27 4.232 -14.337 14.469 Start of MODEL 6 1 1H ARG 1 1H ARG 1 -4.299 22.503 -0.076 2 2H ARG 1 2H ARG 1 -5.932 22.153 0.230 3 3H ARG 1 3H ARG 1 -5.110 23.270 1.206 4 HA ARG 1 HA ARG 1 -3.824 21.633 2.237 5 1HB ARG 1 1HB ARG 1 -6.670 21.446 2.163 6 2HB ARG 1 2HB ARG 1 -6.028 19.803 2.219 7 1HG ARG 1 1HG ARG 1 -4.602 21.624 4.013 8 2HG ARG 1 2HG ARG 1 -6.318 21.500 4.399 9 1HD ARG 1 1HD ARG 1 -6.188 19.112 4.608 10 2HD ARG 1 2HD ARG 1 -4.560 19.081 3.930 11 HE ARG 1 HE ARG 1 -5.062 20.486 6.513 12 1HH1 ARG 1 1HH1 ARG 1 -2.736 19.173 4.520 13 2HH1 ARG 1 2HH1 ARG 1 -1.930 18.256 5.749 14 1HH2 ARG 1 1HH2 ARG 1 -4.368 18.831 8.148 15 2HH2 ARG 1 2HH2 ARG 1 -2.854 18.062 7.803 16 H LYS 2 H LYS 2 -3.301 19.236 2.358 17 HA LYS 2 HA LYS 2 -2.668 18.287 -0.363 18 1HB LYS 2 1HB LYS 2 -1.955 17.023 2.298 19 2HB LYS 2 2HB LYS 2 -1.210 16.698 0.731 20 1HG LYS 2 1HG LYS 2 -1.080 19.507 1.140 21 2HG LYS 2 2HG LYS 2 -0.542 18.743 2.636 22 1HD LYS 2 1HD LYS 2 1.428 18.251 1.674 23 2HD LYS 2 2HD LYS 2 0.587 17.280 0.464 24 1HE LYS 2 1HE LYS 2 0.637 20.269 0.180 25 2HE LYS 2 2HE LYS 2 2.047 19.328 -0.305 26 1HZ LYS 2 1HZ LYS 2 -0.544 18.359 -1.212 27 2HZ LYS 2 2HZ LYS 2 0.009 19.799 -1.920 28 3HZ LYS 2 3HZ LYS 2 0.951 18.389 -2.019 29 H LYS 3 H LYS 3 -5.362 18.131 -0.124 30 HA LYS 3 HA LYS 3 -6.181 15.590 0.970 31 1HB LYS 3 1HB LYS 3 -8.353 16.258 0.499 32 2HB LYS 3 2HB LYS 3 -7.549 17.826 0.598 33 1HG LYS 3 1HG LYS 3 -7.192 17.747 -1.875 34 2HG LYS 3 2HG LYS 3 -8.136 16.259 -1.930 35 1HD LYS 3 1HD LYS 3 -9.698 17.974 -2.435 36 2HD LYS 3 2HD LYS 3 -9.987 17.593 -0.736 37 1HE LYS 3 1HE LYS 3 -8.033 19.503 -0.537 38 2HE LYS 3 2HE LYS 3 -8.922 20.060 -1.954 39 1HZ LYS 3 1HZ LYS 3 -10.888 19.350 -0.242 40 2HZ LYS 3 2HZ LYS 3 -9.720 20.003 0.807 41 3HZ LYS 3 3HZ LYS 3 -10.321 20.936 -0.476 42 H LEU 4 H LEU 4 -4.306 16.118 -1.467 43 HA LEU 4 HA LEU 4 -5.586 14.366 -3.446 44 1HB LEU 4 1HB LEU 4 -4.065 16.459 -3.940 45 2HB LEU 4 2HB LEU 4 -2.748 15.318 -3.667 46 HG LEU 4 HG LEU 4 -3.289 15.327 -6.039 47 1HD1 LEU 4 1HD1 LEU 4 -2.842 13.134 -4.733 48 2HD1 LEU 4 2HD1 LEU 4 -4.567 12.827 -4.929 49 3HD1 LEU 4 3HD1 LEU 4 -3.535 12.992 -6.348 50 1HD2 LEU 4 1HD2 LEU 4 -5.973 15.564 -5.014 51 2HD2 LEU 4 2HD2 LEU 4 -5.410 15.756 -6.676 52 3HD2 LEU 4 3HD2 LEU 4 -5.880 14.163 -6.083 53 H GLU 5 H GLU 5 -2.313 14.418 -2.013 54 HA GLU 5 HA GLU 5 -1.856 11.633 -2.347 55 1HB GLU 5 1HB GLU 5 0.054 11.956 -0.960 56 2HB GLU 5 2HB GLU 5 -0.165 13.491 -1.801 57 1HG GLU 5 1HG GLU 5 -0.143 14.444 0.251 58 2HG GLU 5 2HG GLU 5 -1.765 13.780 0.441 59 H GLU 6 H GLU 6 -3.640 13.476 -0.025 60 HA GLU 6 HA GLU 6 -3.708 11.642 2.147 61 1HB GLU 6 1HB GLU 6 -5.182 14.016 1.282 62 2HB GLU 6 2HB GLU 6 -6.223 12.844 2.092 63 1HG GLU 6 1HG GLU 6 -3.567 13.403 3.332 64 2HG GLU 6 2HG GLU 6 -4.806 14.652 3.465 65 H LEU 7 H LEU 7 -5.975 12.060 -0.592 66 HA LEU 7 HA LEU 7 -7.556 9.772 0.093 67 1HB LEU 7 1HB LEU 7 -7.269 11.536 -2.304 68 2HB LEU 7 2HB LEU 7 -8.148 10.016 -2.471 69 HG LEU 7 HG LEU 7 -9.454 12.170 -1.754 70 1HD1 LEU 7 1HD1 LEU 7 -9.654 9.498 -0.335 71 2HD1 LEU 7 2HD1 LEU 7 -10.910 10.735 -0.274 72 3HD1 LEU 7 3HD1 LEU 7 -10.491 9.979 -1.811 73 1HD2 LEU 7 1HD2 LEU 7 -7.845 12.742 0.068 74 2HD2 LEU 7 2HD2 LEU 7 -9.488 12.530 0.670 75 3HD2 LEU 7 3HD2 LEU 7 -8.295 11.252 0.897 76 H GLU 8 H GLU 8 -4.997 10.225 -2.391 77 HA GLU 8 HA GLU 8 -4.971 7.682 -3.496 78 1HB GLU 8 1HB GLU 8 -2.756 8.073 -4.155 79 2HB GLU 8 2HB GLU 8 -3.326 9.713 -3.841 80 1HG GLU 8 1HG GLU 8 -1.464 9.836 -2.527 81 2HG GLU 8 2HG GLU 8 -2.477 8.993 -1.355 82 H ARG 9 H ARG 9 -4.116 8.609 -0.261 83 HA ARG 9 HA ARG 9 -2.838 6.076 0.393 84 1HB ARG 9 1HB ARG 9 -3.617 8.557 1.871 85 2HB ARG 9 2HB ARG 9 -3.330 7.084 2.799 86 1HG ARG 9 1HG ARG 9 -1.152 6.952 1.290 87 2HG ARG 9 2HG ARG 9 -1.411 8.692 1.151 88 1HD ARG 9 1HD ARG 9 0.014 8.383 3.051 89 2HD ARG 9 2HD ARG 9 -1.588 8.738 3.695 90 HE ARG 9 HE ARG 9 -0.897 5.881 3.380 91 1HH1 ARG 9 1HH2 ARG 9 0.709 7.461 5.508 92 2HH1 ARG 9 2HH2 ARG 9 -0.226 7.108 6.923 93 1HH2 ARG 9 1HH1 ARG 9 -2.962 5.935 5.142 94 2HH2 ARG 9 2HH1 ARG 9 -2.309 6.244 6.715 95 H ASP 10 H ASP 10 -5.979 7.622 0.915 96 HA ASP 10 HA ASP 10 -7.121 5.559 2.521 97 1HB ASP 10 1HB ASP 10 -7.933 8.031 1.719 98 2HB ASP 10 2HB ASP 10 -8.944 7.008 0.698 99 H LEU 11 H LEU 11 -7.221 6.073 -1.038 100 HA LEU 11 HA LEU 11 -8.846 3.749 -1.498 101 1HB LEU 11 1HB LEU 11 -8.225 4.114 -3.860 102 2HB LEU 11 2HB LEU 11 -8.732 5.615 -3.085 103 HG LEU 11 HG LEU 11 -6.134 5.804 -2.554 104 1HD1 LEU 11 1HD1 LEU 11 -6.299 3.551 -4.325 105 2HD1 LEU 11 2HD1 LEU 11 -5.471 4.865 -5.159 106 3HD1 LEU 11 3HD1 LEU 11 -4.861 4.279 -3.612 107 1HD2 LEU 11 1HD2 LEU 11 -7.768 6.546 -4.940 108 2HD2 LEU 11 2HD2 LEU 11 -6.968 7.586 -3.761 109 3HD2 LEU 11 3HD2 LEU 11 -6.028 6.814 -5.039 110 H ARG 12 H ARG 12 -5.385 4.389 -1.408 111 HA ARG 12 HA ARG 12 -4.584 1.810 -2.411 112 1HB ARG 12 1HB ARG 12 -3.304 4.175 -1.187 113 2HB ARG 12 2HB ARG 12 -2.475 2.646 -0.896 114 1HG ARG 12 1HG ARG 12 -3.168 2.518 -3.589 115 2HG ARG 12 2HG ARG 12 -2.676 4.196 -3.360 116 1HD ARG 12 1HD ARG 12 -0.612 3.318 -2.174 117 2HD ARG 12 2HD ARG 12 -1.075 1.708 -2.725 118 HE ARG 12 HE ARG 12 -1.043 2.942 -5.084 119 1HH1 ARG 12 1HH2 ARG 12 1.443 1.699 -3.570 120 2HH1 ARG 12 2HH2 ARG 12 2.636 2.882 -3.990 121 1HH2 ARG 12 1HH1 ARG 12 0.323 5.202 -5.123 122 2HH2 ARG 12 2HH1 ARG 12 2.003 4.864 -4.869 123 H LYS 13 H LYS 13 -5.471 3.092 0.715 124 HA LYS 13 HA LYS 13 -4.371 1.062 2.380 125 1HB LYS 13 1HB LYS 13 -5.958 3.339 2.735 126 2HB LYS 13 2HB LYS 13 -6.978 2.009 3.284 127 1HG LYS 13 1HG LYS 13 -5.708 1.669 5.123 128 2HG LYS 13 2HG LYS 13 -4.209 1.752 4.196 129 1HD LYS 13 1HD LYS 13 -3.855 3.898 4.798 130 2HD LYS 13 2HD LYS 13 -5.506 4.354 4.371 131 1HE LYS 13 1HE LYS 13 -6.155 4.318 6.528 132 2HE LYS 13 2HE LYS 13 -5.464 2.714 6.769 133 1HZ LYS 13 1HZ LYS 13 -3.328 4.450 6.547 134 2HZ LYS 13 2HZ LYS 13 -4.443 5.231 7.563 135 3HZ LYS 13 3HZ LYS 13 -3.878 3.677 7.952 136 H LEU 14 H LEU 14 -7.259 1.188 0.384 137 HA LEU 14 HA LEU 14 -8.472 -1.188 1.486 138 1HB LEU 14 1HB LEU 14 -9.392 0.786 -0.118 139 2HB LEU 14 2HB LEU 14 -9.020 -0.433 -1.338 140 HG LEU 14 HG LEU 14 -10.270 -1.982 0.502 141 1HD1 LEU 14 1HD1 LEU 14 -10.671 0.462 1.608 142 2HD1 LEU 14 2HD1 LEU 14 -12.084 0.367 0.558 143 3HD1 LEU 14 3HD1 LEU 14 -11.811 -0.872 1.782 144 1HD2 LEU 14 1HD2 LEU 14 -11.434 -0.317 -1.744 145 2HD2 LEU 14 2HD2 LEU 14 -10.896 -1.995 -1.811 146 3HD2 LEU 14 3HD2 LEU 14 -12.355 -1.573 -0.916 147 H LYS 15 H LYS 15 -7.148 -0.677 -1.783 148 HA LYS 15 HA LYS 15 -6.825 -3.268 -2.635 149 1HB LYS 15 1HB LYS 15 -5.323 -0.748 -3.079 150 2HB LYS 15 2HB LYS 15 -4.490 -2.234 -3.537 151 1HG LYS 15 1HG LYS 15 -6.582 -2.899 -4.804 152 2HG LYS 15 2HG LYS 15 -7.188 -1.268 -4.508 153 1HD LYS 15 1HD LYS 15 -4.554 -0.944 -5.463 154 2HD LYS 15 2HD LYS 15 -5.294 -2.162 -6.500 155 1HE LYS 15 1HE LYS 15 -6.675 0.439 -5.812 156 2HE LYS 15 2HE LYS 15 -5.638 0.260 -7.227 157 1HZ LYS 15 1HZ LYS 15 -7.354 -1.916 -7.209 158 2HZ LYS 15 2HZ LYS 15 -8.316 -0.555 -6.885 159 3HZ LYS 15 3HZ LYS 15 -7.359 -0.606 -8.286 160 H LYS 16 H LYS 16 -5.049 -1.676 -0.093 161 HA LYS 16 HA LYS 16 -2.771 -3.358 0.046 162 1HB LYS 16 1HB LYS 16 -4.194 -1.530 1.867 163 2HB LYS 16 2HB LYS 16 -3.311 -2.820 2.685 164 1HG LYS 16 1HG LYS 16 -1.609 -1.900 0.629 165 2HG LYS 16 2HG LYS 16 -2.271 -0.454 1.392 166 1HD LYS 16 1HD LYS 16 -1.082 -0.790 3.285 167 2HD LYS 16 2HD LYS 16 -1.518 -2.498 3.344 168 1HE LYS 16 1HE LYS 16 0.709 -1.232 1.728 169 2HE LYS 16 2HE LYS 16 0.872 -2.385 3.052 170 1HZ LYS 16 1HZ LYS 16 -0.662 -3.808 1.495 171 2HZ LYS 16 2HZ LYS 16 0.026 -2.831 0.287 172 3HZ LYS 16 3HZ LYS 16 1.021 -3.781 1.283 173 H LYS 17 H LYS 17 -5.899 -3.674 1.744 174 HA LYS 17 HA LYS 17 -5.192 -6.372 2.626 175 1HB LYS 17 1HB LYS 17 -7.213 -4.373 3.288 176 2HB LYS 17 2HB LYS 17 -7.892 -5.997 3.168 177 1HG LYS 17 1HG LYS 17 -6.263 -6.852 4.755 178 2HG LYS 17 2HG LYS 17 -5.430 -5.298 4.792 179 1HD LYS 17 1HD LYS 17 -6.972 -4.359 6.180 180 2HD LYS 17 2HD LYS 17 -8.322 -5.173 5.389 181 1HE LYS 17 1HE LYS 17 -7.355 -7.330 6.489 182 2HE LYS 17 2HE LYS 17 -6.502 -6.209 7.551 183 1HZ LYS 17 1HZ LYS 17 -8.970 -5.189 7.577 184 2HZ LYS 17 2HZ LYS 17 -9.322 -6.843 7.414 185 3HZ LYS 17 3HZ LYS 17 -8.392 -6.299 8.725 186 H ILE 18 H ILE 18 -7.624 -4.906 0.460 187 HA ILE 18 HA ILE 18 -8.846 -7.306 -0.381 188 HB ILE 18 HB ILE 18 -10.075 -5.490 -1.053 189 1HG1 ILE 18 1HG1 ILE 18 -8.176 -5.901 -3.373 190 2HG1 ILE 18 2HG1 ILE 18 -9.741 -6.681 -3.130 191 1HG2 ILE 18 1HG2 ILE 18 -7.407 -4.187 -1.201 192 2HG2 ILE 18 2HG2 ILE 18 -8.708 -3.475 -2.154 193 3HG2 ILE 18 3HG2 ILE 18 -8.881 -3.639 -0.406 194 1HD1 ILE 18 1HD1 ILE 18 -10.697 -4.268 -3.097 195 2HD1 ILE 18 2HD1 ILE 18 -9.158 -3.803 -3.822 196 3HD1 ILE 18 3HD1 ILE 18 -10.218 -4.937 -4.658 197 H LYS 19 H LYS 19 -6.316 -5.387 -2.045 198 HA LYS 19 HA LYS 19 -5.831 -7.225 -4.134 199 1HB LYS 19 1HB LYS 19 -4.840 -4.812 -3.605 200 2HB LYS 19 2HB LYS 19 -3.510 -5.763 -2.942 201 1HG LYS 19 1HG LYS 19 -2.881 -5.491 -5.189 202 2HG LYS 19 2HG LYS 19 -3.647 -7.080 -5.188 203 1HD LYS 19 1HD LYS 19 -5.823 -5.538 -5.622 204 2HD LYS 19 2HD LYS 19 -4.590 -4.526 -6.376 205 1HE LYS 19 1HE LYS 19 -4.127 -7.257 -7.128 206 2HE LYS 19 2HE LYS 19 -5.817 -6.858 -7.445 207 1HZ LYS 19 1HZ LYS 19 -4.198 -4.696 -8.218 208 2HZ LYS 19 2HZ LYS 19 -3.577 -6.113 -8.922 209 3HZ LYS 19 3HZ LYS 19 -5.194 -5.673 -9.188 210 H LYS 20 H LYS 20 -4.807 -7.290 -0.782 211 HA LYS 20 HA LYS 20 -2.785 -9.324 -1.156 212 1HB LYS 20 1HB LYS 20 -3.517 -7.653 0.924 213 2HB LYS 20 2HB LYS 20 -4.048 -9.238 1.488 214 1HG LYS 20 1HG LYS 20 -1.620 -9.904 0.499 215 2HG LYS 20 2HG LYS 20 -1.298 -8.236 0.972 216 1HD LYS 20 1HD LYS 20 -1.909 -8.655 3.241 217 2HD LYS 20 2HD LYS 20 -2.632 -10.213 2.833 218 1HE LYS 20 1HE LYS 20 -0.645 -11.272 2.987 219 2HE LYS 20 2HE LYS 20 0.152 -10.062 1.980 220 1HZ LYS 20 1HZ LYS 20 -0.564 -9.353 4.734 221 2HZ LYS 20 2HZ LYS 20 0.788 -10.345 4.480 222 3HZ LYS 20 3HZ LYS 20 0.725 -8.801 3.774 223 H LEU 21 H LEU 21 -6.215 -9.333 -0.224 224 HA LEU 21 HA LEU 21 -6.454 -12.075 0.423 225 1HB LEU 21 1HB LEU 21 -8.734 -11.723 0.391 226 2HB LEU 21 2HB LEU 21 -8.186 -10.050 0.461 227 HG LEU 21 HG LEU 21 -8.218 -10.170 -2.140 228 1HD1 LEU 21 1HD1 LEU 21 -9.244 -12.780 -1.386 229 2HD1 LEU 21 2HD1 LEU 21 -10.427 -11.892 -2.346 230 3HD1 LEU 21 3HD1 LEU 21 -8.807 -12.178 -2.984 231 1HD2 LEU 21 1HD2 LEU 21 -9.893 -9.091 -0.391 232 2HD2 LEU 21 2HD2 LEU 21 -10.318 -9.179 -2.100 233 3HD2 LEU 21 3HD2 LEU 21 -10.968 -10.365 -0.969 234 H GLU 22 H GLU 22 -6.558 -10.445 -2.711 235 HA GLU 22 HA GLU 22 -7.053 -12.949 -4.128 236 1HB GLU 22 1HB GLU 22 -6.725 -11.497 -6.171 237 2HB GLU 22 2HB GLU 22 -8.014 -10.958 -5.095 238 1HG GLU 22 1HG GLU 22 -6.764 -9.159 -4.279 239 2HG GLU 22 2HG GLU 22 -5.227 -9.898 -4.729 240 H GLU 23 H GLU 23 -4.331 -11.114 -3.055 241 HA GLU 23 HA GLU 23 -2.394 -11.977 -4.970 242 1HB GLU 23 1HB GLU 23 -2.355 -10.792 -2.251 243 2HB GLU 23 2HB GLU 23 -0.912 -11.695 -2.712 244 1HG GLU 23 1HG GLU 23 -0.872 -10.359 -4.859 245 2HG GLU 23 2HG GLU 23 -2.152 -9.354 -4.177 246 H ASP 24 H ASP 24 -2.137 -13.038 -1.605 247 HA ASP 24 HA ASP 24 -1.409 -15.134 -0.796 248 1HB ASP 24 1HB ASP 24 -4.001 -15.271 -1.888 249 2HB ASP 24 2HB ASP 24 -3.174 -16.722 -2.460 250 H ASN 25 H ASN 25 0.133 -14.185 -3.030 251 HA ASN 25 HA ASN 25 0.557 -15.810 -5.203 252 1HB ASN 25 1HB ASN 25 2.832 -15.110 -5.187 253 2HB ASN 25 2HB ASN 25 1.939 -13.804 -4.409 254 1HD2 ASN 25 2HD2 ASN 25 4.504 -16.066 -3.969 255 2HD2 ASN 25 1HD2 ASN 25 4.766 -15.782 -2.315 256 HA PRO 26 HA PRO 26 1.630 -19.801 -3.727 257 1HB PRO 26 1HB PRO 26 3.136 -20.646 -5.863 258 2HB PRO 26 2HB PRO 26 1.369 -20.518 -5.902 259 1HG PRO 26 1HG PRO 26 3.406 -18.742 -7.159 260 2HG PRO 26 2HG PRO 26 1.730 -19.042 -7.643 261 1HD PRO 26 1HD PRO 26 2.676 -16.765 -6.246 262 2HD PRO 26 2HD PRO 26 0.974 -17.232 -6.455 263 H TRP 27 H TRP 27 4.537 -18.926 -5.594 264 HA TRP 27 HA TRP 27 6.333 -19.974 -3.621 265 1HB TRP 27 1HB TRP 27 6.965 -19.704 -5.998 266 2HB TRP 27 2HB TRP 27 6.880 -17.951 -5.819 267 HD1 TRP 27 HD1 TRP 27 9.236 -17.029 -5.674 268 HE1 TRP 27 HE1 TRP 27 11.409 -17.685 -4.453 269 HE3 TRP 27 HE3 TRP 27 7.736 -21.394 -3.492 270 HZ2 TRP 27 HZ2 TRP 27 12.382 -19.784 -2.770 271 HZ3 TRP 27 HZ3 TRP 27 9.303 -22.701 -2.086 272 HH2 TRP 27 HH2 TRP 27 11.623 -21.903 -1.723 Start of MODEL 7 1 1H ARG 1 1H ARG 1 -5.879 21.710 2.071 2 2H ARG 1 2H ARG 1 -6.819 22.936 1.370 3 3H ARG 1 3H ARG 1 -7.402 22.089 2.723 4 HA ARG 1 HA ARG 1 -8.251 20.474 1.484 5 1HB ARG 1 1HB ARG 1 -8.432 22.710 0.042 6 2HB ARG 1 2HB ARG 1 -7.375 21.808 -1.045 7 1HG ARG 1 1HG ARG 1 -9.095 20.538 -1.749 8 2HG ARG 1 2HG ARG 1 -9.497 20.097 -0.089 9 1HD ARG 1 1HD ARG 1 -10.283 22.807 -0.452 10 2HD ARG 1 2HD ARG 1 -10.885 21.897 -1.838 11 HE ARG 1 HE ARG 1 -11.414 20.524 0.663 12 1HH1 ARG 1 1HH1 ARG 1 -12.840 21.716 -2.067 13 2HH1 ARG 1 2HH1 ARG 1 -14.305 22.252 -1.313 14 1HH2 ARG 1 1HH2 ARG 1 -13.127 21.788 1.916 15 2HH2 ARG 1 2HH2 ARG 1 -14.467 22.295 0.941 16 H LYS 2 H LYS 2 -5.684 19.789 2.284 17 HA LYS 2 HA LYS 2 -4.158 18.840 -0.035 18 1HB LYS 2 1HB LYS 2 -3.812 18.855 2.923 19 2HB LYS 2 2HB LYS 2 -2.992 17.574 2.030 20 1HG LYS 2 1HG LYS 2 -1.893 19.216 0.599 21 2HG LYS 2 2HG LYS 2 -2.781 20.527 1.375 22 1HD LYS 2 1HD LYS 2 -1.350 20.592 3.121 23 2HD LYS 2 2HD LYS 2 -1.391 18.840 3.313 24 1HE LYS 2 1HE LYS 2 0.096 18.805 1.173 25 2HE LYS 2 2HE LYS 2 0.401 20.500 1.554 26 1HZ LYS 2 1HZ LYS 2 1.120 19.821 3.768 27 2HZ LYS 2 2HZ LYS 2 0.868 18.194 3.364 28 3HZ LYS 2 3HZ LYS 2 2.065 19.092 2.560 29 H LYS 3 H LYS 3 -6.762 17.809 -0.113 30 HA LYS 3 HA LYS 3 -6.641 15.097 0.965 31 1HB LYS 3 1HB LYS 3 -8.723 16.768 -0.375 32 2HB LYS 3 2HB LYS 3 -8.881 15.014 -0.475 33 1HG LYS 3 1HG LYS 3 -8.944 14.785 1.903 34 2HG LYS 3 2HG LYS 3 -8.419 16.452 2.145 35 1HD LYS 3 1HD LYS 3 -10.537 17.210 2.022 36 2HD LYS 3 2HD LYS 3 -10.809 16.354 0.503 37 1HE LYS 3 1HE LYS 3 -10.802 14.279 2.286 38 2HE LYS 3 2HE LYS 3 -11.516 15.564 3.258 39 1HZ LYS 3 1HZ LYS 3 -12.824 15.917 0.986 40 2HZ LYS 3 2HZ LYS 3 -12.545 14.244 0.881 41 3HZ LYS 3 3HZ LYS 3 -13.377 14.881 2.214 42 H LEU 4 H LEU 4 -4.820 16.130 -1.154 43 HA LEU 4 HA LEU 4 -5.530 14.483 -3.482 44 1HB LEU 4 1HB LEU 4 -4.493 16.725 -3.817 45 2HB LEU 4 2HB LEU 4 -3.053 16.156 -2.973 46 HG LEU 4 HG LEU 4 -3.012 16.044 -5.546 47 1HD1 LEU 4 1HD1 LEU 4 -1.673 14.653 -3.711 48 2HD1 LEU 4 2HD1 LEU 4 -2.585 13.312 -4.403 49 3HD1 LEU 4 3HD1 LEU 4 -1.523 14.278 -5.427 50 1HD2 LEU 4 1HD2 LEU 4 -5.359 15.101 -5.664 51 2HD2 LEU 4 2HD2 LEU 4 -4.162 14.186 -6.580 52 3HD2 LEU 4 3HD2 LEU 4 -4.717 13.593 -5.016 53 H GLU 5 H GLU 5 -2.436 14.849 -1.754 54 HA GLU 5 HA GLU 5 -1.705 12.107 -2.218 55 1HB GLU 5 1HB GLU 5 0.287 12.638 -1.101 56 2HB GLU 5 2HB GLU 5 -0.212 14.212 -1.719 57 1HG GLU 5 1HG GLU 5 0.134 14.816 0.471 58 2HG GLU 5 2HG GLU 5 -1.532 14.252 0.623 59 H GLU 6 H GLU 6 -3.400 13.852 0.285 60 HA GLU 6 HA GLU 6 -3.187 11.970 2.406 61 1HB GLU 6 1HB GLU 6 -5.007 14.196 1.677 62 2HB GLU 6 2HB GLU 6 -5.675 12.994 2.782 63 1HG GLU 6 1HG GLU 6 -2.912 13.991 3.319 64 2HG GLU 6 2HG GLU 6 -4.261 15.069 3.683 65 H LEU 7 H LEU 7 -5.914 12.379 0.110 66 HA LEU 7 HA LEU 7 -7.118 9.893 0.855 67 1HB LEU 7 1HB LEU 7 -7.736 12.065 -0.873 68 2HB LEU 7 2HB LEU 7 -7.828 10.587 -1.832 69 HG LEU 7 HG LEU 7 -9.357 11.308 0.659 70 1HD1 LEU 7 1HD1 LEU 7 -9.887 10.867 -2.191 71 2HD1 LEU 7 2HD1 LEU 7 -10.978 9.964 -1.138 72 3HD1 LEU 7 3HD1 LEU 7 -10.859 11.717 -0.986 73 1HD2 LEU 7 1HD2 LEU 7 -8.361 8.661 -0.179 74 2HD2 LEU 7 2HD2 LEU 7 -8.995 9.178 1.384 75 3HD2 LEU 7 3HD2 LEU 7 -10.103 8.718 0.091 76 H GLU 8 H GLU 8 -4.929 10.795 -1.822 77 HA GLU 8 HA GLU 8 -4.955 8.488 -3.353 78 1HB GLU 8 1HB GLU 8 -2.982 9.244 -4.215 79 2HB GLU 8 2HB GLU 8 -3.267 10.645 -3.185 80 1HG GLU 8 1HG GLU 8 -1.931 9.641 -1.397 81 2HG GLU 8 2HG GLU 8 -1.703 8.181 -2.359 82 H ARG 9 H ARG 9 -3.704 8.931 -0.119 83 HA ARG 9 HA ARG 9 -2.427 6.336 0.044 84 1HB ARG 9 1HB ARG 9 -2.966 8.615 1.856 85 2HB ARG 9 2HB ARG 9 -2.873 7.036 2.634 86 1HG ARG 9 1HG ARG 9 -0.692 6.647 1.452 87 2HG ARG 9 2HG ARG 9 -0.770 8.306 0.861 88 1HD ARG 9 1HD ARG 9 0.611 8.168 2.899 89 2HD ARG 9 2HD ARG 9 -0.836 9.136 3.184 90 HE ARG 9 HE ARG 9 -1.540 6.532 3.926 91 1HH1 ARG 9 1HH1 ARG 9 1.391 6.427 4.716 92 2HH1 ARG 9 2HH1 ARG 9 1.322 6.965 6.361 93 1HH2 ARG 9 1HH2 ARG 9 -1.875 8.277 6.077 94 2HH2 ARG 9 2HH2 ARG 9 -0.529 8.007 7.132 95 H ASP 10 H ASP 10 -5.529 7.724 1.109 96 HA ASP 10 HA ASP 10 -6.485 5.353 2.396 97 1HB ASP 10 1HB ASP 10 -7.457 7.970 1.864 98 2HB ASP 10 2HB ASP 10 -8.657 6.837 1.242 99 H LEU 11 H LEU 11 -6.169 6.213 -0.940 100 HA LEU 11 HA LEU 11 -8.174 4.310 -1.859 101 1HB LEU 11 1HB LEU 11 -7.887 5.262 -3.920 102 2HB LEU 11 2HB LEU 11 -7.169 6.557 -2.965 103 HG LEU 11 HG LEU 11 -4.947 5.233 -3.245 104 1HD1 LEU 11 1HD1 LEU 11 -6.774 3.573 -4.697 105 2HD1 LEU 11 2HD1 LEU 11 -5.625 4.266 -5.844 106 3HD1 LEU 11 3HD1 LEU 11 -5.042 3.341 -4.460 107 1HD2 LEU 11 1HD2 LEU 11 -5.938 7.386 -4.487 108 2HD2 LEU 11 2HD2 LEU 11 -4.405 6.660 -4.973 109 3HD2 LEU 11 3HD2 LEU 11 -5.877 6.297 -5.873 110 H ARG 12 H ARG 12 -4.641 4.491 -1.653 111 HA ARG 12 HA ARG 12 -4.227 1.921 -2.911 112 1HB ARG 12 1HB ARG 12 -2.549 3.959 -1.533 113 2HB ARG 12 2HB ARG 12 -1.921 2.311 -1.599 114 1HG ARG 12 1HG ARG 12 -1.745 2.319 -3.904 115 2HG ARG 12 2HG ARG 12 -3.055 3.483 -4.103 116 1HD ARG 12 1HD ARG 12 -1.574 5.171 -4.192 117 2HD ARG 12 2HD ARG 12 -0.937 4.720 -2.609 118 HE ARG 12 HE ARG 12 0.553 3.090 -3.872 119 1HH1 ARG 12 1HH2 ARG 12 0.524 6.282 -4.499 120 2HH1 ARG 12 2HH2 ARG 12 1.091 6.198 -6.133 121 1HH2 ARG 12 1HH1 ARG 12 0.673 2.764 -6.381 122 2HH2 ARG 12 2HH1 ARG 12 1.176 4.205 -7.201 123 H LYS 13 H LYS 13 -4.709 3.062 0.371 124 HA LYS 13 HA LYS 13 -3.760 0.856 1.843 125 1HB LYS 13 1HB LYS 13 -5.315 3.151 2.367 126 2HB LYS 13 2HB LYS 13 -6.283 1.782 2.917 127 1HG LYS 13 1HG LYS 13 -4.788 1.205 4.559 128 2HG LYS 13 2HG LYS 13 -3.392 1.730 3.617 129 1HD LYS 13 1HD LYS 13 -3.416 3.786 4.549 130 2HD LYS 13 2HD LYS 13 -5.155 3.956 4.294 131 1HE LYS 13 1HE LYS 13 -5.571 2.545 6.292 132 2HE LYS 13 2HE LYS 13 -3.832 2.438 6.562 133 1HZ LYS 13 1HZ LYS 13 -3.787 4.884 6.695 134 2HZ LYS 13 2HZ LYS 13 -5.482 4.905 6.584 135 3HZ LYS 13 3HZ LYS 13 -4.731 4.175 7.918 136 H LEU 14 H LEU 14 -6.503 1.118 -0.265 137 HA LEU 14 HA LEU 14 -7.941 -1.149 0.800 138 1HB LEU 14 1HB LEU 14 -8.098 0.489 -1.718 139 2HB LEU 14 2HB LEU 14 -9.040 -0.996 -1.559 140 HG LEU 14 HG LEU 14 -9.131 0.924 0.719 141 1HD1 LEU 14 1HD1 LEU 14 -9.966 1.564 -2.035 142 2HD1 LEU 14 2HD1 LEU 14 -11.230 1.784 -0.824 143 3HD1 LEU 14 3HD1 LEU 14 -9.696 2.639 -0.663 144 1HD2 LEU 14 1HD2 LEU 14 -11.079 -0.913 -0.695 145 2HD2 LEU 14 2HD2 LEU 14 -10.367 -1.137 0.902 146 3HD2 LEU 14 3HD2 LEU 14 -11.542 0.150 0.634 147 H LYS 15 H LYS 15 -6.386 -0.769 -2.391 148 HA LYS 15 HA LYS 15 -6.246 -3.360 -3.247 149 1HB LYS 15 1HB LYS 15 -4.348 -1.060 -3.458 150 2HB LYS 15 2HB LYS 15 -3.818 -2.637 -4.042 151 1HG LYS 15 1HG LYS 15 -4.927 -2.172 -5.954 152 2HG LYS 15 2HG LYS 15 -6.414 -2.388 -5.033 153 1HD LYS 15 1HD LYS 15 -5.739 0.159 -4.323 154 2HD LYS 15 2HD LYS 15 -5.127 0.103 -5.977 155 1HE LYS 15 1HE LYS 15 -7.215 0.233 -6.806 156 2HE LYS 15 2HE LYS 15 -7.724 -1.155 -5.845 157 1HZ LYS 15 1HZ LYS 15 -7.404 1.490 -4.590 158 2HZ LYS 15 2HZ LYS 15 -8.830 1.109 -5.432 159 3HZ LYS 15 3HZ LYS 15 -8.363 0.180 -4.093 160 H LYS 16 H LYS 16 -4.483 -1.979 -0.569 161 HA LYS 16 HA LYS 16 -2.485 -3.999 -0.290 162 1HB LYS 16 1HB LYS 16 -3.685 -1.915 1.450 163 2HB LYS 16 2HB LYS 16 -2.922 -3.269 2.286 164 1HG LYS 16 1HG LYS 16 -1.166 -2.592 0.189 165 2HG LYS 16 2HG LYS 16 -1.675 -1.059 0.895 166 1HD LYS 16 1HD LYS 16 -0.206 -1.423 2.563 167 2HD LYS 16 2HD LYS 16 -1.224 -2.766 3.084 168 1HE LYS 16 1HE LYS 16 0.151 -4.346 2.163 169 2HE LYS 16 2HE LYS 16 0.588 -3.319 0.797 170 1HZ LYS 16 1HZ LYS 16 1.545 -2.878 3.570 171 2HZ LYS 16 2HZ LYS 16 2.424 -3.727 2.389 172 3HZ LYS 16 3HZ LYS 16 2.068 -2.080 2.167 173 H LYS 17 H LYS 17 -5.682 -3.697 1.294 174 HA LYS 17 HA LYS 17 -5.488 -6.381 2.399 175 1HB LYS 17 1HB LYS 17 -7.480 -4.158 2.472 176 2HB LYS 17 2HB LYS 17 -8.046 -5.789 2.832 177 1HG LYS 17 1HG LYS 17 -5.522 -4.923 4.152 178 2HG LYS 17 2HG LYS 17 -7.018 -4.182 4.725 179 1HD LYS 17 1HD LYS 17 -7.993 -6.473 4.987 180 2HD LYS 17 2HD LYS 17 -6.421 -7.149 4.560 181 1HE LYS 17 1HE LYS 17 -5.626 -6.805 6.639 182 2HE LYS 17 2HE LYS 17 -6.152 -5.122 6.620 183 1HZ LYS 17 1HZ LYS 17 -8.255 -7.105 6.887 184 2HZ LYS 17 2HZ LYS 17 -7.202 -6.973 8.213 185 3HZ LYS 17 3HZ LYS 17 -8.061 -5.612 7.675 186 H ILE 18 H ILE 18 -7.476 -4.817 -0.131 187 HA ILE 18 HA ILE 18 -8.995 -7.056 -0.869 188 HB ILE 18 HB ILE 18 -9.784 -5.209 -1.945 189 1HG1 ILE 18 1HG1 ILE 18 -7.650 -6.169 -3.860 190 2HG1 ILE 18 2HG1 ILE 18 -9.353 -6.632 -3.839 191 1HG2 ILE 18 1HG2 ILE 18 -6.932 -4.327 -1.835 192 2HG2 ILE 18 2HG2 ILE 18 -8.043 -3.497 -2.923 193 3HG2 ILE 18 3HG2 ILE 18 -8.374 -3.539 -1.193 194 1HD1 ILE 18 1HD1 ILE 18 -9.899 -4.177 -4.239 195 2HD1 ILE 18 2HD1 ILE 18 -8.180 -3.930 -4.540 196 3HD1 ILE 18 3HD1 ILE 18 -9.113 -4.998 -5.588 197 H LYS 19 H LYS 19 -5.845 -5.965 -2.156 198 HA LYS 19 HA LYS 19 -5.574 -8.172 -3.968 199 1HB LYS 19 1HB LYS 19 -4.247 -6.027 -4.080 200 2HB LYS 19 2HB LYS 19 -3.337 -6.586 -2.676 201 1HG LYS 19 1HG LYS 19 -3.577 -8.501 -4.938 202 2HG LYS 19 2HG LYS 19 -2.555 -7.090 -5.211 203 1HD LYS 19 1HD LYS 19 -2.120 -8.290 -2.578 204 2HD LYS 19 2HD LYS 19 -1.782 -9.412 -3.897 205 1HE LYS 19 1HE LYS 19 -0.685 -6.962 -4.724 206 2HE LYS 19 2HE LYS 19 -0.248 -7.111 -3.022 207 1HZ LYS 19 1HZ LYS 19 0.038 -9.569 -4.470 208 2HZ LYS 19 2HZ LYS 19 1.011 -8.330 -5.100 209 3HZ LYS 19 3HZ LYS 19 1.148 -8.767 -3.464 210 H LYS 20 H LYS 20 -5.101 -7.811 -0.565 211 HA LYS 20 HA LYS 20 -3.320 -10.061 -0.224 212 1HB LYS 20 1HB LYS 20 -3.660 -8.165 1.433 213 2HB LYS 20 2HB LYS 20 -5.206 -8.908 1.841 214 1HG LYS 20 1HG LYS 20 -3.916 -9.991 3.400 215 2HG LYS 20 2HG LYS 20 -3.625 -11.080 2.044 216 1HD LYS 20 1HD LYS 20 -1.438 -10.638 2.646 217 2HD LYS 20 2HD LYS 20 -1.698 -9.315 1.509 218 1HE LYS 20 1HE LYS 20 -2.577 -8.716 4.254 219 2HE LYS 20 2HE LYS 20 -0.842 -9.001 4.104 220 1HZ LYS 20 1HZ LYS 20 -1.291 -7.455 1.982 221 2HZ LYS 20 2HZ LYS 20 -2.465 -6.844 3.048 222 3HZ LYS 20 3HZ LYS 20 -0.827 -6.853 3.499 223 H LEU 21 H LEU 21 -6.812 -9.642 0.499 224 HA LEU 21 HA LEU 21 -7.315 -12.368 1.073 225 1HB LEU 21 1HB LEU 21 -9.677 -11.767 0.689 226 2HB LEU 21 2HB LEU 21 -8.853 -10.542 1.652 227 HG LEU 21 HG LEU 21 -8.376 -9.476 -0.726 228 1HD1 LEU 21 1HD1 LEU 21 -10.145 -11.642 -1.335 229 2HD1 LEU 21 2HD1 LEU 21 -11.008 -10.131 -1.616 230 3HD1 LEU 21 3HD1 LEU 21 -9.477 -10.438 -2.437 231 1HD2 LEU 21 1HD2 LEU 21 -10.895 -9.358 0.932 232 2HD2 LEU 21 2HD2 LEU 21 -9.559 -8.208 0.883 233 3HD2 LEU 21 3HD2 LEU 21 -10.681 -8.315 -0.474 234 H GLU 22 H GLU 22 -7.528 -10.551 -1.988 235 HA GLU 22 HA GLU 22 -8.586 -12.708 -3.533 236 1HB GLU 22 1HB GLU 22 -8.177 -11.372 -5.412 237 2HB GLU 22 2HB GLU 22 -8.313 -10.173 -4.126 238 1HG GLU 22 1HG GLU 22 -6.333 -9.470 -5.083 239 2HG GLU 22 2HG GLU 22 -5.692 -10.634 -3.921 240 H GLU 23 H GLU 23 -5.359 -11.973 -2.422 241 HA GLU 23 HA GLU 23 -3.932 -13.632 -4.277 242 1HB GLU 23 1HB GLU 23 -2.680 -12.016 -3.026 243 2HB GLU 23 2HB GLU 23 -3.279 -12.649 -1.493 244 1HG GLU 23 1HG GLU 23 -1.702 -14.265 -1.431 245 2HG GLU 23 2HG GLU 23 -1.986 -14.710 -3.115 246 H ASP 24 H ASP 24 -3.716 -14.433 -0.869 247 HA ASP 24 HA ASP 24 -4.072 -16.458 0.264 248 1HB ASP 24 1HB ASP 24 -6.393 -16.096 -0.900 249 2HB ASP 24 2HB ASP 24 -5.851 -17.381 -1.980 250 H ASN 25 H ASN 25 -1.870 -16.201 -1.541 251 HA ASN 25 HA ASN 25 -1.727 -18.737 -3.036 252 1HB ASN 25 1HB ASN 25 -0.035 -16.285 -2.790 253 2HB ASN 25 2HB ASN 25 0.749 -17.785 -3.288 254 1HD2 ASN 25 2HD2 ASN 25 -0.511 -18.990 -5.138 255 2HD2 ASN 25 1HD2 ASN 25 -1.166 -18.008 -6.358 256 HA PRO 26 HA PRO 26 0.448 -21.000 0.022 257 1HB PRO 26 1HB PRO 26 2.183 -22.443 -1.551 258 2HB PRO 26 2HB PRO 26 0.445 -22.778 -1.445 259 1HG PRO 26 1HG PRO 26 1.977 -21.481 -3.651 260 2HG PRO 26 2HG PRO 26 0.452 -22.380 -3.722 261 1HD PRO 26 1HD PRO 26 0.720 -19.562 -3.790 262 2HD PRO 26 2HD PRO 26 -0.789 -20.462 -3.527 263 H TRP 27 H TRP 27 3.094 -20.569 -2.326 264 HA TRP 27 HA TRP 27 4.836 -19.628 -0.136 265 1HB TRP 27 1HB TRP 27 5.635 -19.924 -3.033 266 2HB TRP 27 2HB TRP 27 6.652 -20.043 -1.597 267 HD1 TRP 27 HD1 TRP 27 6.073 -22.328 -3.943 268 HE1 TRP 27 HE1 TRP 27 5.415 -24.680 -3.120 269 HE3 TRP 27 HE3 TRP 27 4.509 -21.201 0.784 270 HZ2 TRP 27 HZ2 TRP 27 4.362 -25.920 -0.766 271 HZ3 TRP 27 HZ3 TRP 27 3.683 -22.983 2.295 272 HH2 TRP 27 HH2 TRP 27 3.607 -25.339 1.527 Start of MODEL 8 1 1H ARG 1 1H ARG 1 -5.141 22.382 1.863 2 2H ARG 1 2H ARG 1 -5.448 22.940 3.439 3 3H ARG 1 3H ARG 1 -3.849 22.809 2.877 4 HA ARG 1 HA ARG 1 -4.010 20.925 4.152 5 1HB ARG 1 1HB ARG 1 -6.059 19.566 4.272 6 2HB ARG 1 2HB ARG 1 -6.414 21.247 4.666 7 1HG ARG 1 1HG ARG 1 -6.652 20.976 1.843 8 2HG ARG 1 2HG ARG 1 -7.537 19.638 2.576 9 1HD ARG 1 1HD ARG 1 -9.217 21.131 2.864 10 2HD ARG 1 2HD ARG 1 -8.237 21.769 4.185 11 HE ARG 1 HE ARG 1 -7.226 23.121 2.038 12 1HH1 ARG 1 1HH1 ARG 1 -9.942 23.259 3.990 13 2HH1 ARG 1 2HH1 ARG 1 -10.828 24.361 2.988 14 1HH2 ARG 1 1HH2 ARG 1 -8.569 24.208 0.362 15 2HH2 ARG 1 2HH2 ARG 1 -10.051 24.898 0.936 16 H LYS 2 H LYS 2 -2.920 19.192 3.334 17 HA LYS 2 HA LYS 2 -2.945 18.758 0.431 18 1HB LYS 2 1HB LYS 2 -1.190 18.113 2.673 19 2HB LYS 2 2HB LYS 2 -1.400 16.746 1.577 20 1HG LYS 2 1HG LYS 2 0.178 17.744 0.298 21 2HG LYS 2 2HG LYS 2 -1.098 18.874 -0.161 22 1HD LYS 2 1HD LYS 2 0.169 20.509 0.740 23 2HD LYS 2 2HD LYS 2 -0.197 19.809 2.317 24 1HE LYS 2 1HE LYS 2 1.784 18.146 1.537 25 2HE LYS 2 2HE LYS 2 2.277 19.608 0.686 26 1HZ LYS 2 1HZ LYS 2 1.854 20.748 2.924 27 2HZ LYS 2 2HZ LYS 2 1.929 19.187 3.584 28 3HZ LYS 2 3HZ LYS 2 3.267 19.821 2.751 29 H LYS 3 H LYS 3 -5.438 18.154 1.069 30 HA LYS 3 HA LYS 3 -5.692 15.360 1.830 31 1HB LYS 3 1HB LYS 3 -7.643 17.517 1.048 32 2HB LYS 3 2HB LYS 3 -8.160 15.840 1.240 33 1HG LYS 3 1HG LYS 3 -6.759 17.494 3.361 34 2HG LYS 3 2HG LYS 3 -8.482 17.122 3.333 35 1HD LYS 3 1HD LYS 3 -7.550 14.623 3.121 36 2HD LYS 3 2HD LYS 3 -6.169 15.342 3.952 37 1HE LYS 3 1HE LYS 3 -9.011 15.072 4.896 38 2HE LYS 3 2HE LYS 3 -7.515 14.682 5.747 39 1HZ LYS 3 1HZ LYS 3 -7.072 17.190 5.559 40 2HZ LYS 3 2HZ LYS 3 -8.739 17.321 5.270 41 3HZ LYS 3 3HZ LYS 3 -8.180 16.646 6.726 42 H LEU 4 H LEU 4 -4.384 16.434 -0.703 43 HA LEU 4 HA LEU 4 -5.985 15.118 -2.784 44 1HB LEU 4 1HB LEU 4 -4.744 17.283 -3.215 45 2HB LEU 4 2HB LEU 4 -3.242 16.375 -3.041 46 HG LEU 4 HG LEU 4 -4.084 16.656 -5.431 47 1HD1 LEU 4 1HD1 LEU 4 -2.622 14.712 -4.339 48 2HD1 LEU 4 2HD1 LEU 4 -4.021 13.737 -4.786 49 3HD1 LEU 4 3HD1 LEU 4 -3.138 14.630 -6.024 50 1HD2 LEU 4 1HD2 LEU 4 -6.508 16.118 -4.560 51 2HD2 LEU 4 2HD2 LEU 4 -6.011 15.538 -6.150 52 3HD2 LEU 4 3HD2 LEU 4 -6.007 14.439 -4.769 53 H GLU 5 H GLU 5 -2.501 14.969 -2.022 54 HA GLU 5 HA GLU 5 -2.208 12.289 -2.962 55 1HB GLU 5 1HB GLU 5 0.005 12.429 -2.146 56 2HB GLU 5 2HB GLU 5 -0.400 14.104 -2.522 57 1HG GLU 5 1HG GLU 5 -0.926 14.553 -0.190 58 2HG GLU 5 2HG GLU 5 -0.682 12.858 0.228 59 H GLU 6 H GLU 6 -3.127 13.715 0.097 60 HA GLU 6 HA GLU 6 -2.757 11.491 1.815 61 1HB GLU 6 1HB GLU 6 -4.330 13.978 1.824 62 2HB GLU 6 2HB GLU 6 -5.069 12.671 2.748 63 1HG GLU 6 1HG GLU 6 -2.410 12.481 3.472 64 2HG GLU 6 2HG GLU 6 -2.644 14.224 3.321 65 H LEU 7 H LEU 7 -5.896 12.511 0.420 66 HA LEU 7 HA LEU 7 -7.239 10.076 0.911 67 1HB LEU 7 1HB LEU 7 -7.643 12.416 -0.874 68 2HB LEU 7 2HB LEU 7 -8.501 10.942 -1.321 69 HG LEU 7 HG LEU 7 -9.520 12.719 0.413 70 1HD1 LEU 7 1HD1 LEU 7 -10.622 10.680 -0.455 71 2HD1 LEU 7 2HD1 LEU 7 -9.726 9.709 0.712 72 3HD1 LEU 7 3HD1 LEU 7 -10.916 10.885 1.273 73 1HD2 LEU 7 1HD2 LEU 7 -7.401 12.095 1.883 74 2HD2 LEU 7 2HD2 LEU 7 -8.972 12.347 2.644 75 3HD2 LEU 7 3HD2 LEU 7 -8.396 10.710 2.335 76 H GLU 8 H GLU 8 -5.395 11.118 -1.959 77 HA GLU 8 HA GLU 8 -5.875 9.030 -3.720 78 1HB GLU 8 1HB GLU 8 -3.678 10.872 -3.231 79 2HB GLU 8 2HB GLU 8 -3.076 9.303 -3.766 80 1HG GLU 8 1HG GLU 8 -5.431 10.348 -5.234 81 2HG GLU 8 2HG GLU 8 -3.921 11.225 -5.479 82 H ARG 9 H ARG 9 -4.046 8.962 -0.730 83 HA ARG 9 HA ARG 9 -2.955 6.319 -1.117 84 1HB ARG 9 1HB ARG 9 -3.349 8.102 1.290 85 2HB ARG 9 2HB ARG 9 -2.634 6.493 1.416 86 1HG ARG 9 1HG ARG 9 -1.527 8.285 -0.688 87 2HG ARG 9 2HG ARG 9 -1.150 8.701 0.984 88 1HD ARG 9 1HD ARG 9 0.560 7.214 0.673 89 2HD ARG 9 2HD ARG 9 -0.690 6.031 1.055 90 HE ARG 9 HE ARG 9 -0.170 5.228 -1.103 91 1HH1 ARG 9 1HH1 ARG 9 1.026 8.317 -1.202 92 2HH1 ARG 9 2HH1 ARG 9 0.553 8.659 -2.833 93 1HH2 ARG 9 1HH2 ARG 9 -1.395 5.808 -3.147 94 2HH2 ARG 9 2HH2 ARG 9 -0.817 7.239 -3.933 95 H ASP 10 H ASP 10 -5.737 7.656 0.647 96 HA ASP 10 HA ASP 10 -6.740 5.353 1.862 97 1HB ASP 10 1HB ASP 10 -7.671 7.878 1.596 98 2HB ASP 10 2HB ASP 10 -8.749 7.046 0.475 99 H LEU 11 H LEU 11 -6.914 6.293 -1.548 100 HA LEU 11 HA LEU 11 -8.765 4.246 -2.328 101 1HB LEU 11 1HB LEU 11 -8.339 4.923 -4.508 102 2HB LEU 11 2HB LEU 11 -7.823 6.358 -3.627 103 HG LEU 11 HG LEU 11 -5.493 5.157 -3.571 104 1HD1 LEU 11 1HD1 LEU 11 -6.976 3.233 -4.939 105 2HD1 LEU 11 2HD1 LEU 11 -6.071 4.053 -6.212 106 3HD1 LEU 11 3HD1 LEU 11 -5.216 3.318 -4.855 107 1HD2 LEU 11 1HD2 LEU 11 -6.648 7.109 -5.163 108 2HD2 LEU 11 2HD2 LEU 11 -4.929 6.715 -5.116 109 3HD2 LEU 11 3HD2 LEU 11 -5.968 5.988 -6.343 110 H ARG 12 H ARG 12 -5.275 4.383 -1.953 111 HA ARG 12 HA ARG 12 -4.793 1.748 -3.042 112 1HB ARG 12 1HB ARG 12 -3.243 3.949 -1.888 113 2HB ARG 12 2HB ARG 12 -2.638 2.361 -1.413 114 1HG ARG 12 1HG ARG 12 -2.798 1.728 -3.892 115 2HG ARG 12 2HG ARG 12 -3.009 3.452 -4.206 116 1HD ARG 12 1HD ARG 12 -0.753 3.588 -4.222 117 2HD ARG 12 2HD ARG 12 -0.836 3.374 -2.473 118 HE ARG 12 HE ARG 12 -0.173 1.095 -2.756 119 1HH1 ARG 12 1HH2 ARG 12 1.528 2.368 -4.931 120 2HH1 ARG 12 2HH2 ARG 12 1.230 1.301 -6.262 121 1HH2 ARG 12 1HH1 ARG 12 -1.574 -0.144 -4.820 122 2HH2 ARG 12 2HH1 ARG 12 -0.527 -0.121 -6.199 123 H LYS 13 H LYS 13 -5.710 3.049 0.047 124 HA LYS 13 HA LYS 13 -4.787 1.060 1.814 125 1HB LYS 13 1HB LYS 13 -6.423 3.267 2.028 126 2HB LYS 13 2HB LYS 13 -7.541 1.939 2.344 127 1HG LYS 13 1HG LYS 13 -6.713 1.811 4.431 128 2HG LYS 13 2HG LYS 13 -5.171 1.306 3.741 129 1HD LYS 13 1HD LYS 13 -4.774 3.847 3.348 130 2HD LYS 13 2HD LYS 13 -6.063 4.071 4.531 131 1HE LYS 13 1HE LYS 13 -4.410 2.123 5.666 132 2HE LYS 13 2HE LYS 13 -3.293 3.291 4.958 133 1HZ LYS 13 1HZ LYS 13 -5.142 4.879 6.092 134 2HZ LYS 13 2HZ LYS 13 -5.094 3.586 7.190 135 3HZ LYS 13 3HZ LYS 13 -3.671 4.437 6.819 136 H LEU 14 H LEU 14 -7.493 0.981 -0.450 137 HA LEU 14 HA LEU 14 -8.721 -1.386 0.590 138 1HB LEU 14 1HB LEU 14 -9.134 0.374 -1.603 139 2HB LEU 14 2HB LEU 14 -8.979 -1.251 -2.273 140 HG LEU 14 HG LEU 14 -11.323 -0.782 -1.691 141 1HD1 LEU 14 1HD1 LEU 14 -9.739 -2.859 -0.246 142 2HD1 LEU 14 2HD1 LEU 14 -11.426 -2.651 0.222 143 3HD1 LEU 14 3HD1 LEU 14 -11.019 -3.055 -1.444 144 1HD2 LEU 14 1HD2 LEU 14 -10.062 0.348 0.654 145 2HD2 LEU 14 2HD2 LEU 14 -11.731 0.512 0.110 146 3HD2 LEU 14 3HD2 LEU 14 -11.266 -0.848 1.133 147 H LYS 15 H LYS 15 -6.743 -1.035 -2.358 148 HA LYS 15 HA LYS 15 -6.198 -3.665 -2.946 149 1HB LYS 15 1HB LYS 15 -4.540 -1.170 -3.103 150 2HB LYS 15 2HB LYS 15 -3.814 -2.719 -3.533 151 1HG LYS 15 1HG LYS 15 -5.284 -3.058 -5.329 152 2HG LYS 15 2HG LYS 15 -6.479 -1.929 -4.684 153 1HD LYS 15 1HD LYS 15 -4.666 -0.118 -5.019 154 2HD LYS 15 2HD LYS 15 -3.853 -1.306 -6.037 155 1HE LYS 15 1HE LYS 15 -5.698 -1.416 -7.551 156 2HE LYS 15 2HE LYS 15 -6.751 -0.539 -6.440 157 1HZ LYS 15 1HZ LYS 15 -4.270 0.704 -7.427 158 2HZ LYS 15 2HZ LYS 15 -5.669 0.719 -8.387 159 3HZ LYS 15 3HZ LYS 15 -5.686 1.447 -6.852 160 H LYS 16 H LYS 16 -5.029 -1.841 -0.200 161 HA LYS 16 HA LYS 16 -2.821 -3.475 0.519 162 1HB LYS 16 1HB LYS 16 -2.701 -2.110 2.324 163 2HB LYS 16 2HB LYS 16 -4.031 -1.231 1.578 164 1HG LYS 16 1HG LYS 16 -4.742 -1.667 3.802 165 2HG LYS 16 2HG LYS 16 -5.591 -2.852 2.815 166 1HD LYS 16 1HD LYS 16 -4.539 -4.583 3.819 167 2HD LYS 16 2HD LYS 16 -2.963 -3.801 3.675 168 1HE LYS 16 1HE LYS 16 -5.040 -3.078 5.762 169 2HE LYS 16 2HE LYS 16 -3.673 -4.153 6.053 170 1HZ LYS 16 1HZ LYS 16 -2.344 -2.152 5.070 171 2HZ LYS 16 2HZ LYS 16 -3.699 -1.259 5.576 172 3HZ LYS 16 3HZ LYS 16 -2.803 -2.161 6.704 173 H LYS 17 H LYS 17 -6.256 -3.754 1.460 174 HA LYS 17 HA LYS 17 -5.697 -6.315 2.778 175 1HB LYS 17 1HB LYS 17 -7.765 -4.307 2.922 176 2HB LYS 17 2HB LYS 17 -8.482 -5.897 2.647 177 1HG LYS 17 1HG LYS 17 -6.488 -6.380 4.536 178 2HG LYS 17 2HG LYS 17 -7.190 -4.844 5.043 179 1HD LYS 17 1HD LYS 17 -9.393 -5.784 5.153 180 2HD LYS 17 2HD LYS 17 -8.871 -7.259 4.338 181 1HE LYS 17 1HE LYS 17 -7.237 -6.774 6.677 182 2HE LYS 17 2HE LYS 17 -8.945 -6.796 7.117 183 1HZ LYS 17 1HZ LYS 17 -8.938 -8.872 5.546 184 2HZ LYS 17 2HZ LYS 17 -7.294 -8.920 5.958 185 3HZ LYS 17 3HZ LYS 17 -8.476 -9.009 7.175 186 H ILE 18 H ILE 18 -7.643 -5.134 0.024 187 HA ILE 18 HA ILE 18 -8.695 -7.601 -0.809 188 HB ILE 18 HB ILE 18 -9.656 -5.899 -1.991 189 1HG1 ILE 18 1HG1 ILE 18 -7.242 -6.592 -3.671 190 2HG1 ILE 18 2HG1 ILE 18 -8.863 -7.275 -3.791 191 1HG2 ILE 18 1HG2 ILE 18 -6.999 -4.600 -1.623 192 2HG2 ILE 18 2HG2 ILE 18 -8.060 -3.982 -2.888 193 3HG2 ILE 18 3HG2 ILE 18 -8.607 -4.004 -1.212 194 1HD1 ILE 18 1HD1 ILE 18 -9.412 -4.624 -4.100 195 2HD1 ILE 18 2HD1 ILE 18 -7.807 -4.707 -4.827 196 3HD1 ILE 18 3HD1 ILE 18 -9.111 -5.719 -5.451 197 H LYS 19 H LYS 19 -5.725 -5.953 -1.948 198 HA LYS 19 HA LYS 19 -4.837 -7.987 -3.686 199 1HB LYS 19 1HB LYS 19 -2.775 -6.892 -3.696 200 2HB LYS 19 2HB LYS 19 -3.850 -5.606 -3.148 201 1HG LYS 19 1HG LYS 19 -2.146 -5.481 -1.563 202 2HG LYS 19 2HG LYS 19 -3.290 -6.554 -0.755 203 1HD LYS 19 1HD LYS 19 -1.706 -8.146 -0.661 204 2HD LYS 19 2HD LYS 19 -1.651 -8.175 -2.424 205 1HE LYS 19 1HE LYS 19 -0.247 -5.896 -1.158 206 2HE LYS 19 2HE LYS 19 0.469 -7.481 -0.861 207 1HZ LYS 19 1HZ LYS 19 -0.348 -7.100 -3.584 208 2HZ LYS 19 2HZ LYS 19 0.828 -5.979 -3.088 209 3HZ LYS 19 3HZ LYS 19 1.134 -7.647 -2.964 210 H LYS 20 H LYS 20 -4.853 -7.846 -0.209 211 HA LYS 20 HA LYS 20 -2.941 -9.998 0.163 212 1HB LYS 20 1HB LYS 20 -4.364 -8.150 1.824 213 2HB LYS 20 2HB LYS 20 -4.673 -9.784 2.414 214 1HG LYS 20 1HG LYS 20 -1.983 -9.891 1.877 215 2HG LYS 20 2HG LYS 20 -2.173 -8.227 2.431 216 1HD LYS 20 1HD LYS 20 -1.808 -9.414 4.430 217 2HD LYS 20 2HD LYS 20 -3.565 -9.265 4.367 218 1HE LYS 20 1HE LYS 20 -2.642 -11.596 4.907 219 2HE LYS 20 2HE LYS 20 -3.832 -11.506 3.609 220 1HZ LYS 20 1HZ LYS 20 -0.971 -11.265 2.981 221 2HZ LYS 20 2HZ LYS 20 -1.640 -12.802 3.251 222 3HZ LYS 20 3HZ LYS 20 -2.241 -11.818 2.003 223 H LEU 21 H LEU 21 -6.495 -9.738 0.260 224 HA LEU 21 HA LEU 21 -6.976 -12.477 0.887 225 1HB LEU 21 1HB LEU 21 -9.212 -11.973 0.589 226 2HB LEU 21 2HB LEU 21 -8.562 -10.350 0.800 227 HG LEU 21 HG LEU 21 -8.276 -10.389 -1.793 228 1HD1 LEU 21 1HD1 LEU 21 -9.276 -12.967 -1.409 229 2HD1 LEU 21 2HD1 LEU 21 -10.663 -12.054 -2.002 230 3HD1 LEU 21 3HD1 LEU 21 -9.176 -12.111 -2.948 231 1HD2 LEU 21 1HD2 LEU 21 -10.273 -9.488 -0.057 232 2HD2 LEU 21 2HD2 LEU 21 -10.051 -8.995 -1.736 233 3HD2 LEU 21 3HD2 LEU 21 -11.154 -10.312 -1.343 234 H GLU 22 H GLU 22 -6.591 -10.785 -2.194 235 HA GLU 22 HA GLU 22 -7.227 -13.100 -3.801 236 1HB GLU 22 1HB GLU 22 -6.275 -10.339 -4.272 237 2HB GLU 22 2HB GLU 22 -5.769 -11.527 -5.475 238 1HG GLU 22 1HG GLU 22 -8.637 -11.241 -4.551 239 2HG GLU 22 2HG GLU 22 -7.991 -10.392 -5.956 240 H GLU 23 H GLU 23 -4.662 -12.541 -1.805 241 HA GLU 23 HA GLU 23 -2.897 -14.252 -3.464 242 1HB GLU 23 1HB GLU 23 -1.925 -12.024 -3.407 243 2HB GLU 23 2HB GLU 23 -2.098 -11.963 -1.652 244 1HG GLU 23 1HG GLU 23 -0.586 -14.264 -2.799 245 2HG GLU 23 2HG GLU 23 0.204 -12.687 -2.812 246 H ASP 24 H ASP 24 -3.536 -13.154 -0.126 247 HA ASP 24 HA ASP 24 -2.131 -15.100 1.293 248 1HB ASP 24 1HB ASP 24 -3.490 -13.192 2.261 249 2HB ASP 24 2HB ASP 24 -4.927 -14.186 2.017 250 H ASN 25 H ASN 25 -2.138 -17.174 0.379 251 HA ASN 25 HA ASN 25 -4.765 -18.488 -0.049 252 1HB ASN 25 1HB ASN 25 -1.958 -19.000 -0.947 253 2HB ASN 25 2HB ASN 25 -3.057 -20.375 -0.826 254 1HD2 ASN 25 2HD2 ASN 25 -5.112 -20.233 -2.118 255 2HD2 ASN 25 1HD2 ASN 25 -5.148 -19.274 -3.516 256 HA PRO 26 HA PRO 26 -4.289 -20.517 3.852 257 1HB PRO 26 1HB PRO 26 -6.462 -22.177 3.562 258 2HB PRO 26 2HB PRO 26 -6.589 -20.462 3.986 259 1HG PRO 26 1HG PRO 26 -7.183 -21.801 1.389 260 2HG PRO 26 2HG PRO 26 -7.844 -20.298 2.054 261 1HD PRO 26 1HD PRO 26 -5.829 -20.494 0.071 262 2HD PRO 26 2HD PRO 26 -6.275 -19.027 0.969 263 H TRP 27 H TRP 27 -5.560 -22.881 1.494 264 HA TRP 27 HA TRP 27 -3.049 -24.437 1.658 265 1HB TRP 27 1HB TRP 27 -5.461 -25.093 3.141 266 2HB TRP 27 2HB TRP 27 -5.052 -26.375 2.000 267 HD1 TRP 27 HD1 TRP 27 -2.067 -26.594 2.018 268 HE1 TRP 27 HE1 TRP 27 -0.708 -27.159 4.134 269 HE3 TRP 27 HE3 TRP 27 -5.426 -25.231 5.614 270 HZ2 TRP 27 HZ2 TRP 27 -1.006 -27.045 6.977 271 HZ3 TRP 27 HZ3 TRP 27 -4.864 -25.470 8.016 272 HH2 TRP 27 HH2 TRP 27 -2.660 -26.374 8.701 Start of MODEL 9 1 1H ARG 1 1H ARG 1 -2.025 21.859 1.215 2 2H ARG 1 2H ARG 1 -3.376 22.842 0.901 3 3H ARG 1 3H ARG 1 -2.778 22.705 2.482 4 HA ARG 1 HA ARG 1 -3.859 20.809 2.885 5 1HB ARG 1 1HB ARG 1 -5.217 22.268 0.739 6 2HB ARG 1 2HB ARG 1 -5.645 20.557 0.775 7 1HG ARG 1 1HG ARG 1 -5.771 21.074 3.412 8 2HG ARG 1 2HG ARG 1 -6.159 22.681 2.797 9 1HD ARG 1 1HD ARG 1 -7.755 21.264 1.188 10 2HD ARG 1 2HD ARG 1 -7.689 20.132 2.538 11 HE ARG 1 HE ARG 1 -8.297 22.911 3.281 12 1HH1 ARG 1 1HH1 ARG 1 -9.036 20.143 4.551 13 2HH1 ARG 1 2HH1 ARG 1 -10.755 20.183 4.349 14 1HH2 ARG 1 1HH2 ARG 1 -10.696 22.811 2.089 15 2HH2 ARG 1 2HH2 ARG 1 -11.695 21.693 2.956 16 H LYS 2 H LYS 2 -2.732 18.918 2.726 17 HA LYS 2 HA LYS 2 -1.865 17.920 0.095 18 1HB LYS 2 1HB LYS 2 -0.470 17.768 2.227 19 2HB LYS 2 2HB LYS 2 -1.600 16.525 2.765 20 1HG LYS 2 1HG LYS 2 -0.259 15.071 1.662 21 2HG LYS 2 2HG LYS 2 -0.999 15.713 0.196 22 1HD LYS 2 1HD LYS 2 0.796 17.518 0.223 23 2HD LYS 2 2HD LYS 2 1.597 16.580 1.484 24 1HE LYS 2 1HE LYS 2 2.630 15.657 -0.358 25 2HE LYS 2 2HE LYS 2 1.219 14.603 -0.276 26 1HZ LYS 2 1HZ LYS 2 0.144 16.406 -1.747 27 2HZ LYS 2 2HZ LYS 2 1.746 16.857 -2.095 28 3HZ LYS 2 3HZ LYS 2 1.208 15.290 -2.459 29 H LYS 3 H LYS 3 -4.629 18.021 0.147 30 HA LYS 3 HA LYS 3 -5.690 15.459 0.975 31 1HB LYS 3 1HB LYS 3 -7.783 16.319 0.409 32 2HB LYS 3 2HB LYS 3 -6.888 17.792 0.781 33 1HG LYS 3 1HG LYS 3 -6.287 17.401 -1.881 34 2HG LYS 3 2HG LYS 3 -7.964 16.858 -1.790 35 1HD LYS 3 1HD LYS 3 -7.448 19.331 -0.289 36 2HD LYS 3 2HD LYS 3 -7.168 19.488 -2.023 37 1HE LYS 3 1HE LYS 3 -9.505 18.071 -1.996 38 2HE LYS 3 2HE LYS 3 -9.696 19.070 -0.555 39 1HZ LYS 3 1HZ LYS 3 -8.985 20.985 -2.011 40 2HZ LYS 3 2HZ LYS 3 -9.226 19.953 -3.339 41 3HZ LYS 3 3HZ LYS 3 -10.525 20.340 -2.323 42 H LEU 4 H LEU 4 -3.560 15.851 -1.172 43 HA LEU 4 HA LEU 4 -4.850 14.600 -3.493 44 1HB LEU 4 1HB LEU 4 -3.100 16.355 -3.818 45 2HB LEU 4 2HB LEU 4 -1.930 15.279 -3.055 46 HG LEU 4 HG LEU 4 -2.018 15.252 -5.624 47 1HD1 LEU 4 1HD1 LEU 4 -1.242 13.391 -3.865 48 2HD1 LEU 4 2HD1 LEU 4 -2.579 12.505 -4.598 49 3HD1 LEU 4 3HD1 LEU 4 -1.247 13.078 -5.600 50 1HD2 LEU 4 1HD2 LEU 4 -4.651 15.121 -5.406 51 2HD2 LEU 4 2HD2 LEU 4 -3.829 14.263 -6.710 52 3HD2 LEU 4 3HD2 LEU 4 -4.347 13.390 -5.268 53 H GLU 5 H GLU 5 -1.816 13.844 -1.777 54 HA GLU 5 HA GLU 5 -1.981 11.047 -2.376 55 1HB GLU 5 1HB GLU 5 0.001 10.845 -1.132 56 2HB GLU 5 2HB GLU 5 0.071 12.517 -1.686 57 1HG GLU 5 1HG GLU 5 0.470 12.882 0.551 58 2HG GLU 5 2HG GLU 5 -1.293 12.910 0.588 59 H GLU 6 H GLU 6 -3.175 13.068 0.212 60 HA GLU 6 HA GLU 6 -3.641 11.206 2.256 61 1HB GLU 6 1HB GLU 6 -4.612 13.813 1.531 62 2HB GLU 6 2HB GLU 6 -5.978 12.819 2.041 63 1HG GLU 6 1HG GLU 6 -3.959 12.208 3.874 64 2HG GLU 6 2HG GLU 6 -3.828 13.952 3.644 65 H LEU 7 H LEU 7 -6.105 12.145 -0.178 66 HA LEU 7 HA LEU 7 -7.772 9.896 0.369 67 1HB LEU 7 1HB LEU 7 -7.586 11.923 -1.829 68 2HB LEU 7 2HB LEU 7 -8.642 10.523 -2.032 69 HG LEU 7 HG LEU 7 -9.642 12.658 -0.945 70 1HD1 LEU 7 1HD1 LEU 7 -10.061 9.860 -0.553 71 2HD1 LEU 7 2HD1 LEU 7 -10.331 10.665 0.992 72 3HD1 LEU 7 3HD1 LEU 7 -11.246 11.161 -0.431 73 1HD2 LEU 7 1HD2 LEU 7 -7.763 13.022 0.627 74 2HD2 LEU 7 2HD2 LEU 7 -9.283 12.797 1.491 75 3HD2 LEU 7 3HD2 LEU 7 -8.118 11.475 1.399 76 H GLU 8 H GLU 8 -5.557 10.507 -2.398 77 HA GLU 8 HA GLU 8 -5.845 8.112 -3.765 78 1HB GLU 8 1HB GLU 8 -3.873 8.641 -4.808 79 2HB GLU 8 2HB GLU 8 -4.042 10.153 -3.918 80 1HG GLU 8 1HG GLU 8 -1.865 9.499 -3.358 81 2HG GLU 8 2HG GLU 8 -2.799 8.862 -2.005 82 H ARG 9 H ARG 9 -4.373 8.659 -0.651 83 HA ARG 9 HA ARG 9 -3.241 5.992 -0.430 84 1HB ARG 9 1HB ARG 9 -3.488 8.400 1.287 85 2HB ARG 9 2HB ARG 9 -3.409 6.854 2.135 86 1HG ARG 9 1HG ARG 9 -1.457 7.387 -0.080 87 2HG ARG 9 2HG ARG 9 -1.182 8.136 1.494 88 1HD ARG 9 1HD ARG 9 -1.573 5.757 2.456 89 2HD ARG 9 2HD ARG 9 -1.304 5.202 0.804 90 HE ARG 9 HE ARG 9 0.824 6.958 1.500 91 1HH1 ARG 9 1HH1 ARG 9 0.240 3.783 0.901 92 2HH1 ARG 9 2HH1 ARG 9 1.417 3.140 1.996 93 1HH2 ARG 9 1HH2 ARG 9 2.034 6.182 3.539 94 2HH2 ARG 9 2HH2 ARG 9 2.432 4.498 3.491 95 H ASP 10 H ASP 10 -6.134 7.692 0.722 96 HA ASP 10 HA ASP 10 -7.240 5.637 2.318 97 1HB ASP 10 1HB ASP 10 -8.052 8.078 1.912 98 2HB ASP 10 2HB ASP 10 -8.947 7.389 0.558 99 H LEU 11 H LEU 11 -7.637 6.256 -1.184 100 HA LEU 11 HA LEU 11 -9.359 4.019 -1.640 101 1HB LEU 11 1HB LEU 11 -9.134 4.519 -3.908 102 2HB LEU 11 2HB LEU 11 -8.715 6.069 -3.179 103 HG LEU 11 HG LEU 11 -6.274 5.115 -3.189 104 1HD1 LEU 11 1HD1 LEU 11 -7.664 2.958 -4.333 105 2HD1 LEU 11 2HD1 LEU 11 -6.828 3.731 -5.679 106 3HD1 LEU 11 3HD1 LEU 11 -5.915 3.173 -4.277 107 1HD2 LEU 11 1HD2 LEU 11 -7.594 6.882 -4.747 108 2HD2 LEU 11 2HD2 LEU 11 -5.910 6.441 -5.030 109 3HD2 LEU 11 3HD2 LEU 11 -7.192 5.671 -5.965 110 H ARG 12 H ARG 12 -5.876 4.439 -1.550 111 HA ARG 12 HA ARG 12 -5.253 1.776 -2.482 112 1HB ARG 12 1HB ARG 12 -3.820 4.162 -1.613 113 2HB ARG 12 2HB ARG 12 -3.084 2.688 -0.984 114 1HG ARG 12 1HG ARG 12 -3.594 1.934 -3.550 115 2HG ARG 12 2HG ARG 12 -3.284 3.655 -3.772 116 1HD ARG 12 1HD ARG 12 -1.085 3.486 -3.122 117 2HD ARG 12 2HD ARG 12 -1.412 2.169 -1.997 118 HE ARG 12 HE ARG 12 -0.550 0.862 -3.768 119 1HH1 ARG 12 1HH1 ARG 12 -1.752 3.652 -5.217 120 2HH1 ARG 12 2HH1 ARG 12 -2.250 2.882 -6.687 121 1HH2 ARG 12 1HH2 ARG 12 -1.630 -0.326 -5.527 122 2HH2 ARG 12 2HH2 ARG 12 -2.177 0.630 -6.862 123 H LYS 13 H LYS 13 -6.260 3.158 0.501 124 HA LYS 13 HA LYS 13 -5.059 1.381 2.365 125 1HB LYS 13 1HB LYS 13 -6.720 3.515 2.594 126 2HB LYS 13 2HB LYS 13 -7.862 2.204 2.887 127 1HG LYS 13 1HG LYS 13 -6.705 1.440 4.777 128 2HG LYS 13 2HG LYS 13 -5.199 2.217 4.285 129 1HD LYS 13 1HD LYS 13 -5.728 4.064 5.450 130 2HD LYS 13 2HD LYS 13 -7.248 4.217 4.569 131 1HE LYS 13 1HE LYS 13 -8.012 2.257 6.169 132 2HE LYS 13 2HE LYS 13 -6.703 2.859 7.185 133 1HZ LYS 13 1HZ LYS 13 -8.292 4.981 6.143 134 2HZ LYS 13 2HZ LYS 13 -9.239 3.880 7.019 135 3HZ LYS 13 3HZ LYS 13 -7.899 4.619 7.756 136 H LEU 14 H LEU 14 -7.966 1.078 0.362 137 HA LEU 14 HA LEU 14 -8.796 -1.422 1.545 138 1HB LEU 14 1HB LEU 14 -9.570 0.200 -0.842 139 2HB LEU 14 2HB LEU 14 -10.009 -1.508 -0.837 140 HG LEU 14 HG LEU 14 -10.705 -0.743 1.709 141 1HD1 LEU 14 1HD1 LEU 14 -10.226 1.633 1.102 142 2HD1 LEU 14 2HD1 LEU 14 -11.446 1.524 -0.167 143 3HD1 LEU 14 3HD1 LEU 14 -11.917 1.369 1.526 144 1HD2 LEU 14 1HD2 LEU 14 -11.929 -1.771 -0.550 145 2HD2 LEU 14 2HD2 LEU 14 -12.724 -1.504 1.003 146 3HD2 LEU 14 3HD2 LEU 14 -12.833 -0.283 -0.264 147 H LYS 15 H LYS 15 -7.673 -0.793 -1.779 148 HA LYS 15 HA LYS 15 -7.031 -3.329 -2.613 149 1HB LYS 15 1HB LYS 15 -6.194 -0.672 -3.312 150 2HB LYS 15 2HB LYS 15 -4.794 -1.746 -3.360 151 1HG LYS 15 1HG LYS 15 -5.865 -1.796 -5.536 152 2HG LYS 15 2HG LYS 15 -6.151 -3.345 -4.742 153 1HD LYS 15 1HD LYS 15 -8.348 -2.287 -3.886 154 2HD LYS 15 2HD LYS 15 -8.075 -1.051 -5.116 155 1HE LYS 15 1HE LYS 15 -8.117 -2.679 -6.882 156 2HE LYS 15 2HE LYS 15 -8.081 -4.015 -5.731 157 1HZ LYS 15 1HZ LYS 15 -10.237 -2.726 -4.890 158 2HZ LYS 15 2HZ LYS 15 -10.299 -2.316 -6.538 159 3HZ LYS 15 3HZ LYS 15 -10.293 -3.947 -6.066 160 H LYS 16 H LYS 16 -5.400 -1.485 -0.142 161 HA LYS 16 HA LYS 16 -2.937 -2.891 -0.041 162 1HB LYS 16 1HB LYS 16 -4.517 -1.208 1.805 163 2HB LYS 16 2HB LYS 16 -3.429 -2.350 2.594 164 1HG LYS 16 1HG LYS 16 -1.521 -1.466 1.474 165 2HG LYS 16 2HG LYS 16 -2.519 -0.562 0.334 166 1HD LYS 16 1HD LYS 16 -3.426 0.436 2.704 167 2HD LYS 16 2HD LYS 16 -1.737 0.119 3.102 168 1HE LYS 16 1HE LYS 16 -1.193 1.309 0.871 169 2HE LYS 16 2HE LYS 16 -2.849 1.909 0.945 170 1HZ LYS 16 1HZ LYS 16 -2.324 2.720 3.220 171 2HZ LYS 16 2HZ LYS 16 -0.699 2.320 2.946 172 3HZ LYS 16 3HZ LYS 16 -1.457 3.500 1.986 173 H LYS 17 H LYS 17 -5.956 -3.508 1.771 174 HA LYS 17 HA LYS 17 -4.930 -6.086 2.689 175 1HB LYS 17 1HB LYS 17 -7.017 -4.270 3.472 176 2HB LYS 17 2HB LYS 17 -7.703 -5.877 3.229 177 1HG LYS 17 1HG LYS 17 -6.663 -6.712 5.056 178 2HG LYS 17 2HG LYS 17 -5.132 -5.945 4.632 179 1HD LYS 17 1HD LYS 17 -5.986 -3.786 5.499 180 2HD LYS 17 2HD LYS 17 -7.491 -4.582 5.963 181 1HE LYS 17 1HE LYS 17 -6.453 -5.852 7.643 182 2HE LYS 17 2HE LYS 17 -4.849 -5.648 6.935 183 1HZ LYS 17 1HZ LYS 17 -6.004 -3.136 7.566 184 2HZ LYS 17 2HZ LYS 17 -5.985 -4.134 8.938 185 3HZ LYS 17 3HZ LYS 17 -4.540 -3.809 8.105 186 H ILE 18 H ILE 18 -7.577 -4.958 0.563 187 HA ILE 18 HA ILE 18 -8.553 -7.500 -0.167 188 HB ILE 18 HB ILE 18 -9.983 -5.848 -0.860 189 1HG1 ILE 18 1HG1 ILE 18 -8.122 -6.188 -3.218 190 2HG1 ILE 18 2HG1 ILE 18 -9.608 -7.081 -2.893 191 1HG2 ILE 18 1HG2 ILE 18 -7.474 -4.281 -1.157 192 2HG2 ILE 18 2HG2 ILE 18 -8.874 -3.749 -2.084 193 3HG2 ILE 18 3HG2 ILE 18 -8.969 -3.857 -0.328 194 1HD1 ILE 18 1HD1 ILE 18 -10.341 -4.365 -2.832 195 2HD1 ILE 18 2HD1 ILE 18 -9.268 -4.525 -4.223 196 3HD1 ILE 18 3HD1 ILE 18 -10.715 -5.529 -4.104 197 H LYS 19 H LYS 19 -6.235 -5.398 -1.916 198 HA LYS 19 HA LYS 19 -5.612 -7.238 -3.973 199 1HB LYS 19 1HB LYS 19 -4.881 -4.773 -3.721 200 2HB LYS 19 2HB LYS 19 -3.553 -5.403 -2.743 201 1HG LYS 19 1HG LYS 19 -2.647 -6.628 -4.549 202 2HG LYS 19 2HG LYS 19 -4.141 -6.524 -5.480 203 1HD LYS 19 1HD LYS 19 -3.047 -4.828 -6.548 204 2HD LYS 19 2HD LYS 19 -3.589 -3.884 -5.161 205 1HE LYS 19 1HE LYS 19 -1.352 -3.407 -5.002 206 2HE LYS 19 2HE LYS 19 -1.338 -4.930 -4.113 207 1HZ LYS 19 1HZ LYS 19 -1.148 -5.221 -6.977 208 2HZ LYS 19 2HZ LYS 19 0.165 -4.405 -6.282 209 3HZ LYS 19 3HZ LYS 19 -0.244 -5.964 -5.745 210 H LYS 20 H LYS 20 -4.731 -7.217 -0.622 211 HA LYS 20 HA LYS 20 -2.406 -8.902 -0.832 212 1HB LYS 20 1HB LYS 20 -3.715 -7.511 1.212 213 2HB LYS 20 2HB LYS 20 -3.870 -9.210 1.661 214 1HG LYS 20 1HG LYS 20 -1.444 -9.516 1.399 215 2HG LYS 20 2HG LYS 20 -1.276 -7.828 0.916 216 1HD LYS 20 1HD LYS 20 -0.746 -7.788 3.212 217 2HD LYS 20 2HD LYS 20 -2.439 -7.291 3.175 218 1HE LYS 20 1HE LYS 20 -2.241 -8.957 4.898 219 2HE LYS 20 2HE LYS 20 -3.053 -9.725 3.533 220 1HZ LYS 20 1HZ LYS 20 -0.549 -10.242 2.901 221 2HZ LYS 20 2HZ LYS 20 -0.370 -10.160 4.586 222 3HZ LYS 20 3HZ LYS 20 -1.463 -11.267 3.901 223 H LEU 21 H LEU 21 -5.798 -9.592 0.080 224 HA LEU 21 HA LEU 21 -5.495 -12.396 0.321 225 1HB LEU 21 1HB LEU 21 -7.825 -12.487 0.427 226 2HB LEU 21 2HB LEU 21 -7.505 -10.821 0.900 227 HG LEU 21 HG LEU 21 -7.762 -10.274 -1.620 228 1HD1 LEU 21 1HD1 LEU 21 -8.237 -13.117 -1.599 229 2HD1 LEU 21 2HD1 LEU 21 -9.696 -12.282 -2.131 230 3HD1 LEU 21 3HD1 LEU 21 -8.172 -12.024 -2.981 231 1HD2 LEU 21 1HD2 LEU 21 -9.667 -10.625 0.526 232 2HD2 LEU 21 2HD2 LEU 21 -9.630 -9.386 -0.729 233 3HD2 LEU 21 3HD2 LEU 21 -10.444 -10.921 -1.029 234 H GLU 22 H GLU 22 -6.241 -10.394 -2.508 235 HA GLU 22 HA GLU 22 -6.846 -12.420 -4.362 236 1HB GLU 22 1HB GLU 22 -6.342 -10.854 -6.070 237 2HB GLU 22 2HB GLU 22 -6.842 -9.862 -4.700 238 1HG GLU 22 1HG GLU 22 -4.875 -8.780 -4.855 239 2HG GLU 22 2HG GLU 22 -4.077 -10.270 -4.357 240 H GLU 23 H GLU 23 -3.793 -11.587 -2.910 241 HA GLU 23 HA GLU 23 -2.412 -13.461 -4.743 242 1HB GLU 23 1HB GLU 23 -1.547 -11.061 -4.376 243 2HB GLU 23 2HB GLU 23 -1.062 -11.618 -2.776 244 1HG GLU 23 1HG GLU 23 0.863 -12.214 -3.842 245 2HG GLU 23 2HG GLU 23 -0.075 -13.630 -4.320 246 H ASP 24 H ASP 24 -3.307 -12.872 -1.420 247 HA ASP 24 HA ASP 24 -2.944 -14.141 0.532 248 1HB ASP 24 1HB ASP 24 -4.203 -15.667 -1.382 249 2HB ASP 24 2HB ASP 24 -2.829 -16.684 -0.945 250 H ASN 25 H ASN 25 -0.533 -13.160 -0.523 251 HA ASN 25 HA ASN 25 1.303 -15.437 0.093 252 1HB ASN 25 1HB ASN 25 1.464 -14.948 -2.294 253 2HB ASN 25 2HB ASN 25 1.702 -13.233 -1.951 254 1HD2 ASN 25 2HD2 ASN 25 3.283 -16.364 -2.039 255 2HD2 ASN 25 1HD2 ASN 25 4.837 -15.803 -1.648 256 HA PRO 26 HA PRO 26 2.841 -12.648 3.145 257 1HB PRO 26 1HB PRO 26 5.098 -14.086 3.767 258 2HB PRO 26 2HB PRO 26 3.478 -14.536 4.308 259 1HG PRO 26 1HG PRO 26 5.149 -15.776 2.177 260 2HG PRO 26 2HG PRO 26 3.885 -16.510 3.179 261 1HD PRO 26 1HD PRO 26 3.587 -15.671 0.497 262 2HD PRO 26 2HD PRO 26 2.266 -16.078 1.614 263 H TRP 27 H TRP 27 5.420 -14.096 1.164 264 HA TRP 27 HA TRP 27 6.263 -11.439 0.207 265 1HB TRP 27 1HB TRP 27 7.451 -12.509 2.523 266 2HB TRP 27 2HB TRP 27 8.605 -12.816 1.226 267 HD1 TRP 27 HD1 TRP 27 8.742 -10.471 -0.517 268 HE1 TRP 27 HE1 TRP 27 9.234 -8.072 0.287 269 HE3 TRP 27 HE3 TRP 27 7.458 -10.908 4.409 270 HZ2 TRP 27 HZ2 TRP 27 9.099 -6.540 2.699 271 HZ3 TRP 27 HZ3 TRP 27 7.650 -8.964 5.935 272 HH2 TRP 27 HH2 TRP 27 8.468 -6.784 5.087 Start of MODEL 10 1 1H ARG 1 1H ARG 1 -3.131 22.491 0.016 2 2H ARG 1 2H ARG 1 -4.689 22.902 0.556 3 3H ARG 1 3H ARG 1 -3.350 23.152 1.566 4 HA ARG 1 HA ARG 1 -3.372 21.076 2.325 5 1HB ARG 1 1HB ARG 1 -6.008 21.362 0.908 6 2HB ARG 1 2HB ARG 1 -5.594 19.830 1.678 7 1HG ARG 1 1HG ARG 1 -5.174 21.023 3.807 8 2HG ARG 1 2HG ARG 1 -5.628 22.543 3.034 9 1HD ARG 1 1HD ARG 1 -7.450 20.130 3.221 10 2HD ARG 1 2HD ARG 1 -7.496 21.491 4.340 11 HE ARG 1 HE ARG 1 -7.701 22.559 1.730 12 1HH1 ARG 1 1HH1 ARG 1 -9.686 23.015 3.954 13 2HH1 ARG 1 2HH1 ARG 1 -11.122 22.304 3.295 14 1HH2 ARG 1 1HH2 ARG 1 -9.436 20.533 0.836 15 2HH2 ARG 1 2HH2 ARG 1 -10.979 20.898 1.530 16 H LYS 2 H LYS 2 -2.221 19.297 1.756 17 HA LYS 2 HA LYS 2 -1.848 18.675 -1.086 18 1HB LYS 2 1HB LYS 2 -0.661 17.673 1.493 19 2HB LYS 2 2HB LYS 2 -0.410 16.777 -0.006 20 1HG LYS 2 1HG LYS 2 0.436 18.887 -1.061 21 2HG LYS 2 2HG LYS 2 0.317 19.672 0.515 22 1HD LYS 2 1HD LYS 2 1.910 17.140 0.065 23 2HD LYS 2 2HD LYS 2 2.617 18.751 -0.066 24 1HE LYS 2 1HE LYS 2 1.785 19.220 2.265 25 2HE LYS 2 2HE LYS 2 1.310 17.527 2.378 26 1HZ LYS 2 1HZ LYS 2 4.050 18.231 1.569 27 2HZ LYS 2 2HZ LYS 2 3.627 18.253 3.213 28 3HZ LYS 2 3HZ LYS 2 3.484 16.819 2.322 29 H LYS 3 H LYS 3 -4.492 18.245 -0.583 30 HA LYS 3 HA LYS 3 -4.910 15.465 0.161 31 1HB LYS 3 1HB LYS 3 -6.535 17.775 0.040 32 2HB LYS 3 2HB LYS 3 -7.207 16.630 -1.122 33 1HG LYS 3 1HG LYS 3 -8.263 15.830 0.752 34 2HG LYS 3 2HG LYS 3 -6.750 14.940 0.925 35 1HD LYS 3 1HD LYS 3 -5.944 16.361 2.589 36 2HD LYS 3 2HD LYS 3 -6.974 17.700 2.084 37 1HE LYS 3 1HE LYS 3 -8.941 16.605 2.970 38 2HE LYS 3 2HE LYS 3 -8.026 15.135 3.307 39 1HZ LYS 3 1HZ LYS 3 -6.578 16.929 4.625 40 2HZ LYS 3 2HZ LYS 3 -8.109 17.645 4.766 41 3HZ LYS 3 3HZ LYS 3 -7.857 16.064 5.333 42 H LEU 4 H LEU 4 -3.465 16.553 -2.339 43 HA LEU 4 HA LEU 4 -4.974 15.175 -4.450 44 1HB LEU 4 1HB LEU 4 -3.589 17.395 -4.703 45 2HB LEU 4 2HB LEU 4 -2.218 16.293 -4.844 46 HG LEU 4 HG LEU 4 -3.055 16.710 -7.076 47 1HD1 LEU 4 1HD1 LEU 4 -2.405 14.360 -6.455 48 2HD1 LEU 4 2HD1 LEU 4 -4.109 14.021 -6.151 49 3HD1 LEU 4 3HD1 LEU 4 -3.572 14.440 -7.776 50 1HD2 LEU 4 1HD2 LEU 4 -5.596 16.681 -5.689 51 2HD2 LEU 4 2HD2 LEU 4 -5.230 17.267 -7.312 52 3HD2 LEU 4 3HD2 LEU 4 -5.639 15.570 -7.058 53 H GLU 5 H GLU 5 -1.580 15.082 -3.335 54 HA GLU 5 HA GLU 5 -1.120 12.442 -4.349 55 1HB GLU 5 1HB GLU 5 0.319 14.038 -2.209 56 2HB GLU 5 2HB GLU 5 0.945 12.576 -2.971 57 1HG GLU 5 1HG GLU 5 0.073 14.884 -4.680 58 2HG GLU 5 2HG GLU 5 1.657 14.923 -3.906 59 H GLU 6 H GLU 6 -2.338 13.778 -1.360 60 HA GLU 6 HA GLU 6 -2.052 11.542 0.356 61 1HB GLU 6 1HB GLU 6 -3.529 14.036 0.323 62 2HB GLU 6 2HB GLU 6 -4.529 12.736 0.970 63 1HG GLU 6 1HG GLU 6 -2.310 12.146 2.302 64 2HG GLU 6 2HG GLU 6 -1.960 13.853 2.022 65 H LEU 7 H LEU 7 -4.998 12.491 -1.467 66 HA LEU 7 HA LEU 7 -6.291 9.982 -1.041 67 1HB LEU 7 1HB LEU 7 -6.914 12.447 -2.305 68 2HB LEU 7 2HB LEU 7 -7.180 11.172 -3.496 69 HG LEU 7 HG LEU 7 -8.443 11.502 -0.783 70 1HD1 LEU 7 1HD1 LEU 7 -9.290 12.210 -3.253 71 2HD1 LEU 7 2HD1 LEU 7 -9.898 10.557 -3.192 72 3HD1 LEU 7 3HD1 LEU 7 -10.392 11.723 -1.965 73 1HD2 LEU 7 1HD2 LEU 7 -7.730 9.003 -2.204 74 2HD2 LEU 7 2HD2 LEU 7 -8.109 9.257 -0.501 75 3HD2 LEU 7 3HD2 LEU 7 -9.411 9.105 -1.680 76 H GLU 8 H GLU 8 -4.479 11.250 -3.862 77 HA GLU 8 HA GLU 8 -4.736 9.187 -5.671 78 1HB GLU 8 1HB GLU 8 -2.440 10.931 -4.894 79 2HB GLU 8 2HB GLU 8 -2.074 9.527 -5.898 80 1HG GLU 8 1HG GLU 8 -4.364 11.338 -6.621 81 2HG GLU 8 2HG GLU 8 -2.715 11.778 -7.065 82 H ARG 9 H ARG 9 -3.117 9.123 -2.584 83 HA ARG 9 HA ARG 9 -1.885 6.526 -2.985 84 1HB ARG 9 1HB ARG 9 -2.262 8.400 -0.669 85 2HB ARG 9 2HB ARG 9 -1.741 6.740 -0.374 86 1HG ARG 9 1HG ARG 9 -0.161 7.622 -2.520 87 2HG ARG 9 2HG ARG 9 -0.206 8.983 -1.398 88 1HD ARG 9 1HD ARG 9 0.115 6.676 0.197 89 2HD ARG 9 2HD ARG 9 1.228 6.490 -1.159 90 HE ARG 9 HE ARG 9 1.384 9.155 -0.052 91 1HH1 ARG 9 1HH2 ARG 9 1.627 7.429 2.384 92 2HH1 ARG 9 2HH2 ARG 9 3.330 7.113 2.436 93 1HH2 ARG 9 1HH1 ARG 9 3.878 8.080 -0.849 94 2HH2 ARG 9 2HH1 ARG 9 4.603 7.479 0.606 95 H ASP 10 H ASP 10 -4.761 7.798 -1.334 96 HA ASP 10 HA ASP 10 -5.654 5.382 -0.160 97 1HB ASP 10 1HB ASP 10 -6.623 7.993 -0.401 98 2HB ASP 10 2HB ASP 10 -7.849 6.998 -1.186 99 H LEU 11 H LEU 11 -5.698 6.431 -3.495 100 HA LEU 11 HA LEU 11 -7.734 4.559 -4.344 101 1HB LEU 11 1HB LEU 11 -7.364 5.394 -6.480 102 2HB LEU 11 2HB LEU 11 -6.779 6.742 -5.507 103 HG LEU 11 HG LEU 11 -4.481 5.500 -5.628 104 1HD1 LEU 11 1HD1 LEU 11 -6.185 3.938 -7.421 105 2HD1 LEU 11 2HD1 LEU 11 -4.730 4.533 -8.219 106 3HD1 LEU 11 3HD1 LEU 11 -4.596 3.547 -6.764 107 1HD2 LEU 11 1HD2 LEU 11 -5.124 7.689 -6.713 108 2HD2 LEU 11 2HD2 LEU 11 -3.912 6.770 -7.605 109 3HD2 LEU 11 3HD2 LEU 11 -5.592 6.772 -8.144 110 H ARG 12 H ARG 12 -4.229 4.561 -4.079 111 HA ARG 12 HA ARG 12 -3.989 1.917 -5.304 112 1HB ARG 12 1HB ARG 12 -2.156 4.039 -4.332 113 2HB ARG 12 2HB ARG 12 -1.553 2.386 -4.214 114 1HG ARG 12 1HG ARG 12 -2.170 2.058 -6.630 115 2HG ARG 12 2HG ARG 12 -2.570 3.773 -6.708 116 1HD ARG 12 1HD ARG 12 -0.241 3.241 -7.495 117 2HD ARG 12 2HD ARG 12 -0.296 4.395 -6.163 118 HE ARG 12 HE ARG 12 0.166 1.506 -5.586 119 1HH1 ARG 12 1HH2 ARG 12 2.345 3.579 -6.615 120 2HH1 ARG 12 2HH2 ARG 12 3.156 3.880 -5.114 121 1HH2 ARG 12 1HH1 ARG 12 0.673 2.423 -3.180 122 2HH2 ARG 12 2HH1 ARG 12 2.208 3.226 -3.169 123 H LYS 13 H LYS 13 -4.553 3.255 -2.205 124 HA LYS 13 HA LYS 13 -3.360 1.242 -0.560 125 1HB LYS 13 1HB LYS 13 -5.149 3.508 -0.218 126 2HB LYS 13 2HB LYS 13 -5.661 2.140 0.771 127 1HG LYS 13 1HG LYS 13 -3.242 1.949 1.542 128 2HG LYS 13 2HG LYS 13 -2.961 3.507 0.763 129 1HD LYS 13 1HD LYS 13 -4.326 4.656 2.263 130 2HD LYS 13 2HD LYS 13 -5.260 3.218 2.672 131 1HE LYS 13 1HE LYS 13 -2.422 2.938 3.332 132 2HE LYS 13 2HE LYS 13 -3.187 4.278 4.182 133 1HZ LYS 13 1HZ LYS 13 -5.054 2.441 4.478 134 2HZ LYS 13 2HZ LYS 13 -3.703 1.417 4.374 135 3HZ LYS 13 3HZ LYS 13 -3.771 2.617 5.574 136 H LEU 14 H LEU 14 -6.109 1.232 -2.618 137 HA LEU 14 HA LEU 14 -7.558 -0.858 -1.234 138 1HB LEU 14 1HB LEU 14 -7.978 0.835 -3.512 139 2HB LEU 14 2HB LEU 14 -8.218 -0.843 -4.004 140 HG LEU 14 HG LEU 14 -9.467 0.315 -1.505 141 1HD1 LEU 14 1HD1 LEU 14 -10.288 0.497 -4.361 142 2HD1 LEU 14 2HD1 LEU 14 -11.550 0.092 -3.198 143 3HD1 LEU 14 3HD1 LEU 14 -10.635 1.589 -3.020 144 1HD2 LEU 14 1HD2 LEU 14 -9.644 -2.237 -3.068 145 2HD2 LEU 14 2HD2 LEU 14 -9.601 -1.997 -1.321 146 3HD2 LEU 14 3HD2 LEU 14 -11.081 -1.668 -2.221 147 H LYS 15 H LYS 15 -6.095 -0.933 -4.486 148 HA LYS 15 HA LYS 15 -5.907 -3.664 -4.856 149 1HB LYS 15 1HB LYS 15 -4.817 -1.436 -6.106 150 2HB LYS 15 2HB LYS 15 -3.397 -2.353 -5.598 151 1HG LYS 15 1HG LYS 15 -3.765 -3.946 -7.153 152 2HG LYS 15 2HG LYS 15 -5.461 -4.095 -6.690 153 1HD LYS 15 1HD LYS 15 -4.807 -1.603 -8.124 154 2HD LYS 15 2HD LYS 15 -4.600 -3.070 -9.081 155 1HE LYS 15 1HE LYS 15 -7.055 -3.136 -7.507 156 2HE LYS 15 2HE LYS 15 -7.010 -1.754 -8.601 157 1HZ LYS 15 1HZ LYS 15 -6.067 -4.190 -9.796 158 2HZ LYS 15 2HZ LYS 15 -7.687 -4.280 -9.293 159 3HZ LYS 15 3HZ LYS 15 -7.197 -3.065 -10.375 160 H LYS 16 H LYS 16 -4.126 -1.726 -2.581 161 HA LYS 16 HA LYS 16 -1.896 -3.385 -2.084 162 1HB LYS 16 1HB LYS 16 -3.296 -1.235 -0.714 163 2HB LYS 16 2HB LYS 16 -2.712 -2.445 0.429 164 1HG LYS 16 1HG LYS 16 -0.576 -2.182 -1.302 165 2HG LYS 16 2HG LYS 16 -1.194 -0.532 -1.203 166 1HD LYS 16 1HD LYS 16 -1.111 -0.642 1.258 167 2HD LYS 16 2HD LYS 16 -0.500 -2.295 1.167 168 1HE LYS 16 1HE LYS 16 1.189 -0.841 -0.519 169 2HE LYS 16 2HE LYS 16 0.941 0.217 0.870 170 1HZ LYS 16 1HZ LYS 16 1.523 -1.642 2.322 171 2HZ LYS 16 2HZ LYS 16 1.823 -2.617 0.962 172 3HZ LYS 16 3HZ LYS 16 2.793 -1.258 1.258 173 H LYS 17 H LYS 17 -5.111 -3.459 -0.527 174 HA LYS 17 HA LYS 17 -4.456 -6.028 0.730 175 1HB LYS 17 1HB LYS 17 -6.689 -4.049 0.948 176 2HB LYS 17 2HB LYS 17 -6.970 -5.711 1.473 177 1HG LYS 17 1HG LYS 17 -5.019 -5.582 2.968 178 2HG LYS 17 2HG LYS 17 -4.708 -3.930 2.432 179 1HD LYS 17 1HD LYS 17 -6.485 -3.065 3.611 180 2HD LYS 17 2HD LYS 17 -7.445 -4.537 3.453 181 1HE LYS 17 1HE LYS 17 -6.626 -5.411 5.378 182 2HE LYS 17 2HE LYS 17 -4.978 -4.908 5.005 183 1HZ LYS 17 1HZ LYS 17 -6.649 -2.671 5.542 184 2HZ LYS 17 2HZ LYS 17 -6.666 -3.764 6.841 185 3HZ LYS 17 3HZ LYS 17 -5.193 -3.130 6.289 186 H ILE 18 H ILE 18 -6.887 -4.779 -1.575 187 HA ILE 18 HA ILE 18 -8.182 -7.215 -2.113 188 HB ILE 18 HB ILE 18 -9.323 -5.453 -3.040 189 1HG1 ILE 18 1HG1 ILE 18 -7.450 -6.317 -5.249 190 2HG1 ILE 18 2HG1 ILE 18 -9.075 -6.921 -4.925 191 1HG2 ILE 18 1HG2 ILE 18 -6.596 -4.307 -3.343 192 2HG2 ILE 18 2HG2 ILE 18 -7.855 -3.679 -4.405 193 3HG2 ILE 18 3HG2 ILE 18 -8.050 -3.582 -2.656 194 1HD1 ILE 18 1HD1 ILE 18 -9.749 -4.388 -5.229 195 2HD1 ILE 18 2HD1 ILE 18 -8.227 -4.299 -6.115 196 3HD1 ILE 18 3HD1 ILE 18 -9.496 -5.403 -6.650 197 H LYS 19 H LYS 19 -5.469 -5.681 -3.871 198 HA LYS 19 HA LYS 19 -5.090 -7.845 -5.697 199 1HB LYS 19 1HB LYS 19 -4.143 -5.425 -5.772 200 2HB LYS 19 2HB LYS 19 -2.848 -6.064 -4.758 201 1HG LYS 19 1HG LYS 19 -3.145 -7.964 -6.792 202 2HG LYS 19 2HG LYS 19 -3.280 -6.407 -7.613 203 1HD LYS 19 1HD LYS 19 -1.202 -5.847 -6.005 204 2HD LYS 19 2HD LYS 19 -0.965 -7.588 -6.161 205 1HE LYS 19 1HE LYS 19 -1.468 -5.878 -8.592 206 2HE LYS 19 2HE LYS 19 0.156 -6.040 -7.922 207 1HZ LYS 19 1HZ LYS 19 -1.510 -8.410 -8.503 208 2HZ LYS 19 2HZ LYS 19 -0.556 -7.686 -9.710 209 3HZ LYS 19 3HZ LYS 19 0.177 -8.316 -8.317 210 H LYS 20 H LYS 20 -4.415 -7.573 -2.363 211 HA LYS 20 HA LYS 20 -2.132 -9.351 -2.290 212 1HB LYS 20 1HB LYS 20 -2.945 -7.617 -0.508 213 2HB LYS 20 2HB LYS 20 -3.987 -8.931 0.037 214 1HG LYS 20 1HG LYS 20 -1.089 -9.515 -0.445 215 2HG LYS 20 2HG LYS 20 -1.539 -8.649 1.025 216 1HD LYS 20 1HD LYS 20 -2.972 -11.175 0.215 217 2HD LYS 20 2HD LYS 20 -1.465 -11.237 1.130 218 1HE LYS 20 1HE LYS 20 -2.553 -9.619 2.777 219 2HE LYS 20 2HE LYS 20 -4.074 -9.941 1.945 220 1HZ LYS 20 1HZ LYS 20 -2.376 -12.140 2.946 221 2HZ LYS 20 2HZ LYS 20 -3.499 -11.364 3.958 222 3HZ LYS 20 3HZ LYS 20 -4.027 -12.169 2.559 223 H LEU 21 H LEU 21 -5.632 -9.747 -1.710 224 HA LEU 21 HA LEU 21 -5.471 -12.515 -1.018 225 1HB LEU 21 1HB LEU 21 -7.824 -12.501 -1.107 226 2HB LEU 21 2HB LEU 21 -7.403 -10.848 -0.666 227 HG LEU 21 HG LEU 21 -7.451 -10.394 -3.226 228 1HD1 LEU 21 1HD1 LEU 21 -8.104 -13.166 -3.160 229 2HD1 LEU 21 2HD1 LEU 21 -9.551 -12.297 -3.672 230 3HD1 LEU 21 3HD1 LEU 21 -8.043 -12.102 -4.566 231 1HD2 LEU 21 1HD2 LEU 21 -9.347 -10.209 -1.172 232 2HD2 LEU 21 2HD2 LEU 21 -9.396 -9.368 -2.721 233 3HD2 LEU 21 3HD2 LEU 21 -10.227 -10.912 -2.529 234 H GLU 22 H GLU 22 -5.989 -10.853 -4.105 235 HA GLU 22 HA GLU 22 -6.376 -13.316 -5.576 236 1HB GLU 22 1HB GLU 22 -6.202 -11.853 -7.580 237 2HB GLU 22 2HB GLU 22 -7.358 -11.237 -6.398 238 1HG GLU 22 1HG GLU 22 -5.994 -9.474 -5.774 239 2HG GLU 22 2HG GLU 22 -4.514 -10.329 -6.203 240 H GLU 23 H GLU 23 -3.695 -12.297 -4.065 241 HA GLU 23 HA GLU 23 -1.952 -13.522 -6.117 242 1HB GLU 23 1HB GLU 23 -1.884 -10.868 -5.744 243 2HB GLU 23 2HB GLU 23 -0.797 -11.353 -4.442 244 1HG GLU 23 1HG GLU 23 0.423 -10.931 -6.571 245 2HG GLU 23 2HG GLU 23 0.593 -12.600 -6.026 246 H ASP 24 H ASP 24 -2.547 -12.793 -2.719 247 HA ASP 24 HA ASP 24 -0.341 -14.613 -1.924 248 1HB ASP 24 1HB ASP 24 -1.522 -12.295 -0.773 249 2HB ASP 24 2HB ASP 24 -1.855 -13.645 0.313 250 H ASN 25 H ASN 25 -2.087 -16.177 -3.156 251 HA ASN 25 HA ASN 25 -3.885 -17.284 -1.041 252 1HB ASN 25 1HB ASN 25 -4.067 -17.063 -3.986 253 2HB ASN 25 2HB ASN 25 -4.596 -18.605 -3.315 254 1HD2 ASN 25 2HD2 ASN 25 -4.851 -15.626 -1.430 255 2HD2 ASN 25 1HD2 ASN 25 -6.545 -15.523 -1.487 256 HA PRO 26 HA PRO 26 -1.396 -20.891 -0.850 257 1HB PRO 26 1HB PRO 26 -3.324 -22.716 -0.132 258 2HB PRO 26 2HB PRO 26 -2.660 -21.505 0.978 259 1HG PRO 26 1HG PRO 26 -5.319 -21.557 -0.370 260 2HG PRO 26 2HG PRO 26 -4.847 -20.781 1.152 261 1HD PRO 26 1HD PRO 26 -5.194 -19.476 -1.338 262 2HD PRO 26 2HD PRO 26 -4.412 -18.789 0.102 263 H TRP 27 H TRP 27 -4.368 -22.514 -1.834 264 HA TRP 27 HA TRP 27 -3.134 -24.139 -3.793 265 1HB TRP 27 1HB TRP 27 -5.627 -24.131 -4.745 266 2HB TRP 27 2HB TRP 27 -5.228 -24.951 -3.237 267 HD1 TRP 27 HD1 TRP 27 -6.307 -21.391 -4.329 268 HE1 TRP 27 HE1 TRP 27 -7.917 -20.464 -2.542 269 HE3 TRP 27 HE3 TRP 27 -6.284 -25.279 -1.018 270 HZ2 TRP 27 HZ2 TRP 27 -9.046 -21.266 -0.038 271 HZ3 TRP 27 HZ3 TRP 27 -7.636 -25.171 1.057 272 HH2 TRP 27 HH2 TRP 27 -9.015 -23.171 1.551 Start of MODEL 11 1 1H ARG 1 1H ARG 1 -3.272 21.952 2.861 2 2H ARG 1 2H ARG 1 -4.457 22.913 3.601 3 3H ARG 1 3H ARG 1 -4.236 21.305 4.101 4 HA ARG 1 HA ARG 1 -6.098 21.128 2.777 5 1HB ARG 1 1HB ARG 1 -4.984 23.531 1.621 6 2HB ARG 1 2HB ARG 1 -5.444 22.406 0.343 7 1HG ARG 1 1HG ARG 1 -7.579 23.052 0.638 8 2HG ARG 1 2HG ARG 1 -7.531 22.288 2.227 9 1HD ARG 1 1HD ARG 1 -6.294 24.583 2.852 10 2HD ARG 1 2HD ARG 1 -7.256 25.167 1.495 11 HE ARG 1 HE ARG 1 -8.293 24.294 4.096 12 1HH1 ARG 1 1HH1 ARG 1 -9.740 22.866 1.798 13 2HH1 ARG 1 2HH1 ARG 1 -11.069 23.942 1.534 14 1HH2 ARG 1 1HH2 ARG 1 -9.649 26.562 3.305 15 2HH2 ARG 1 2HH2 ARG 1 -11.019 26.033 2.385 16 H LYS 2 H LYS 2 -3.806 19.510 3.012 17 HA LYS 2 HA LYS 2 -3.043 18.701 0.277 18 1HB LYS 2 1HB LYS 2 -1.560 17.095 1.419 19 2HB LYS 2 2HB LYS 2 -1.329 18.724 2.054 20 1HG LYS 2 1HG LYS 2 -3.308 17.836 3.694 21 2HG LYS 2 2HG LYS 2 -2.454 16.327 3.377 22 1HD LYS 2 1HD LYS 2 -0.473 18.312 3.820 23 2HD LYS 2 2HD LYS 2 -1.675 18.491 5.100 24 1HE LYS 2 1HE LYS 2 -1.450 15.788 5.041 25 2HE LYS 2 2HE LYS 2 0.183 16.246 4.555 26 1HZ LYS 2 1HZ LYS 2 -1.207 17.364 6.925 27 2HZ LYS 2 2HZ LYS 2 -0.144 16.041 6.993 28 3HZ LYS 2 3HZ LYS 2 0.426 17.561 6.502 29 H LYS 3 H LYS 3 -5.727 18.328 0.465 30 HA LYS 3 HA LYS 3 -6.245 15.602 1.366 31 1HB LYS 3 1HB LYS 3 -7.958 17.396 1.673 32 2HB LYS 3 2HB LYS 3 -8.096 17.508 -0.083 33 1HG LYS 3 1HG LYS 3 -9.399 15.667 -0.190 34 2HG LYS 3 2HG LYS 3 -8.316 14.755 0.862 35 1HD LYS 3 1HD LYS 3 -9.427 15.393 2.794 36 2HD LYS 3 2HD LYS 3 -10.023 16.892 2.081 37 1HE LYS 3 1HE LYS 3 -11.487 15.482 0.575 38 2HE LYS 3 2HE LYS 3 -11.016 14.083 1.541 39 1HZ LYS 3 1HZ LYS 3 -12.001 16.456 2.940 40 2HZ LYS 3 2HZ LYS 3 -13.134 15.496 2.120 41 3HZ LYS 3 3HZ LYS 3 -12.169 14.814 3.340 42 H LEU 4 H LEU 4 -4.522 16.482 -0.982 43 HA LEU 4 HA LEU 4 -5.825 15.089 -3.216 44 1HB LEU 4 1HB LEU 4 -4.502 17.168 -3.630 45 2HB LEU 4 2HB LEU 4 -3.060 16.326 -3.061 46 HG LEU 4 HG LEU 4 -3.444 16.376 -5.603 47 1HD1 LEU 4 1HD1 LEU 4 -2.104 14.657 -4.055 48 2HD1 LEU 4 2HD1 LEU 4 -3.316 13.539 -4.681 49 3HD1 LEU 4 3HD1 LEU 4 -2.258 14.406 -5.794 50 1HD2 LEU 4 1HD2 LEU 4 -5.958 15.668 -5.073 51 2HD2 LEU 4 2HD2 LEU 4 -5.153 15.119 -6.544 52 3HD2 LEU 4 3HD2 LEU 4 -5.270 14.046 -5.149 53 H GLU 5 H GLU 5 -2.510 14.894 -1.918 54 HA GLU 5 HA GLU 5 -2.144 12.165 -2.662 55 1HB GLU 5 1HB GLU 5 -0.113 12.295 -1.409 56 2HB GLU 5 2HB GLU 5 -0.363 13.911 -2.072 57 1HG GLU 5 1HG GLU 5 -1.667 14.306 0.188 58 2HG GLU 5 2HG GLU 5 -0.685 12.954 0.755 59 H GLU 6 H GLU 6 -3.680 13.725 0.020 60 HA GLU 6 HA GLU 6 -3.547 11.692 1.985 61 1HB GLU 6 1HB GLU 6 -5.059 14.112 1.523 62 2HB GLU 6 2HB GLU 6 -6.121 12.847 2.146 63 1HG GLU 6 1HG GLU 6 -3.458 13.140 3.449 64 2HG GLU 6 2HG GLU 6 -4.651 14.400 3.770 65 H LEU 7 H LEU 7 -6.091 12.257 -0.479 66 HA LEU 7 HA LEU 7 -7.508 9.851 0.147 67 1HB LEU 7 1HB LEU 7 -7.526 11.809 -2.122 68 2HB LEU 7 2HB LEU 7 -8.412 10.290 -2.278 69 HG LEU 7 HG LEU 7 -9.660 12.340 -1.278 70 1HD1 LEU 7 1HD1 LEU 7 -9.803 9.538 -0.844 71 2HD1 LEU 7 2HD1 LEU 7 -10.101 10.307 0.714 72 3HD1 LEU 7 3HD1 LEU 7 -11.105 10.717 -0.676 73 1HD2 LEU 7 1HD2 LEU 7 -7.813 12.923 0.298 74 2HD2 LEU 7 2HD2 LEU 7 -9.342 12.641 1.130 75 3HD2 LEU 7 3HD2 LEU 7 -8.090 11.400 1.143 76 H GLU 8 H GLU 8 -5.265 10.623 -2.556 77 HA GLU 8 HA GLU 8 -5.258 8.193 -3.886 78 1HB GLU 8 1HB GLU 8 -3.259 8.847 -4.819 79 2HB GLU 8 2HB GLU 8 -3.686 10.378 -4.058 80 1HG GLU 8 1HG GLU 8 -2.425 9.521 -1.993 81 2HG GLU 8 2HG GLU 8 -1.777 8.266 -3.047 82 H ARG 9 H ARG 9 -4.022 8.909 -0.704 83 HA ARG 9 HA ARG 9 -2.636 6.371 -0.393 84 1HB ARG 9 1HB ARG 9 -3.212 8.751 1.292 85 2HB ARG 9 2HB ARG 9 -2.988 7.225 2.148 86 1HG ARG 9 1HG ARG 9 -1.048 8.358 0.111 87 2HG ARG 9 2HG ARG 9 -0.849 8.471 1.861 88 1HD ARG 9 1HD ARG 9 -1.412 5.741 0.979 89 2HD ARG 9 2HD ARG 9 0.062 6.391 0.258 90 HE ARG 9 HE ARG 9 -0.198 6.775 3.167 91 1HH1 ARG 9 1HH1 ARG 9 0.154 4.003 1.422 92 2HH1 ARG 9 2HH1 ARG 9 1.768 3.641 1.933 93 1HH2 ARG 9 1HH2 ARG 9 2.262 6.722 3.447 94 2HH2 ARG 9 2HH2 ARG 9 2.965 5.182 3.080 95 H ASP 10 H ASP 10 -5.725 7.779 0.685 96 HA ASP 10 HA ASP 10 -6.653 5.586 2.212 97 1HB ASP 10 1HB ASP 10 -7.741 8.010 1.137 98 2HB ASP 10 2HB ASP 10 -8.866 6.695 0.797 99 H LEU 11 H LEU 11 -6.498 6.050 -1.266 100 HA LEU 11 HA LEU 11 -8.256 3.860 -1.921 101 1HB LEU 11 1HB LEU 11 -7.770 4.359 -4.127 102 2HB LEU 11 2HB LEU 11 -7.313 5.886 -3.379 103 HG LEU 11 HG LEU 11 -4.961 4.796 -3.126 104 1HD1 LEU 11 1HD1 LEU 11 -6.349 2.652 -4.281 105 2HD1 LEU 11 2HD1 LEU 11 -5.364 3.305 -5.590 106 3HD1 LEU 11 3HD1 LEU 11 -4.601 2.787 -4.085 107 1HD2 LEU 11 1HD2 LEU 11 -6.234 6.308 -5.183 108 2HD2 LEU 11 2HD2 LEU 11 -4.525 6.298 -4.746 109 3HD2 LEU 11 3HD2 LEU 11 -5.131 5.174 -5.962 110 H ARG 12 H ARG 12 -4.796 4.254 -1.415 111 HA ARG 12 HA ARG 12 -4.008 1.631 -2.239 112 1HB ARG 12 1HB ARG 12 -2.828 3.858 -0.653 113 2HB ARG 12 2HB ARG 12 -2.123 2.259 -0.423 114 1HG ARG 12 1HG ARG 12 -1.504 2.074 -2.693 115 2HG ARG 12 2HG ARG 12 -2.608 3.359 -3.188 116 1HD ARG 12 1HD ARG 12 -1.243 5.040 -2.126 117 2HD ARG 12 2HD ARG 12 -0.225 3.813 -1.374 118 HE ARG 12 HE ARG 12 0.981 3.704 -3.388 119 1HH1 ARG 12 1HH1 ARG 12 -1.581 5.865 -3.755 120 2HH1 ARG 12 2HH1 ARG 12 -1.605 5.806 -5.486 121 1HH2 ARG 12 1HH2 ARG 12 0.704 3.230 -5.696 122 2HH2 ARG 12 2HH2 ARG 12 -0.312 4.314 -6.584 123 H LYS 13 H LYS 13 -5.036 3.003 0.860 124 HA LYS 13 HA LYS 13 -4.501 0.896 2.609 125 1HB LYS 13 1HB LYS 13 -5.834 3.227 2.860 126 2HB LYS 13 2HB LYS 13 -7.209 2.123 2.816 127 1HG LYS 13 1HG LYS 13 -6.502 0.970 4.743 128 2HG LYS 13 2HG LYS 13 -4.849 1.570 4.606 129 1HD LYS 13 1HD LYS 13 -5.477 3.760 5.305 130 2HD LYS 13 2HD LYS 13 -7.194 3.412 5.098 131 1HE LYS 13 1HE LYS 13 -6.695 1.508 6.867 132 2HE LYS 13 2HE LYS 13 -5.336 2.550 7.285 133 1HZ LYS 13 1HZ LYS 13 -8.183 3.390 7.176 134 2HZ LYS 13 2HZ LYS 13 -7.306 3.071 8.593 135 3HZ LYS 13 3HZ LYS 13 -6.868 4.379 7.602 136 H LEU 14 H LEU 14 -6.890 1.059 0.057 137 HA LEU 14 HA LEU 14 -8.350 -1.282 0.971 138 1HB LEU 14 1HB LEU 14 -8.990 0.739 -0.718 139 2HB LEU 14 2HB LEU 14 -8.500 -0.492 -1.884 140 HG LEU 14 HG LEU 14 -10.095 -1.781 0.092 141 1HD1 LEU 14 1HD1 LEU 14 -10.808 0.944 -0.147 142 2HD1 LEU 14 2HD1 LEU 14 -12.006 0.044 -1.076 143 3HD1 LEU 14 3HD1 LEU 14 -11.741 -0.339 0.625 144 1HD2 LEU 14 1HD2 LEU 14 -9.778 -2.328 -2.356 145 2HD2 LEU 14 2HD2 LEU 14 -11.460 -2.348 -1.826 146 3HD2 LEU 14 3HD2 LEU 14 -10.839 -0.971 -2.736 147 H LYS 15 H LYS 15 -6.571 -0.766 -2.078 148 HA LYS 15 HA LYS 15 -6.233 -3.342 -2.938 149 1HB LYS 15 1HB LYS 15 -4.588 -0.887 -3.108 150 2HB LYS 15 2HB LYS 15 -3.737 -2.394 -3.451 151 1HG LYS 15 1HG LYS 15 -6.384 -2.254 -4.706 152 2HG LYS 15 2HG LYS 15 -5.282 -0.995 -5.264 153 1HD LYS 15 1HD LYS 15 -4.107 -3.704 -5.030 154 2HD LYS 15 2HD LYS 15 -5.320 -3.509 -6.295 155 1HE LYS 15 1HE LYS 15 -3.469 -2.811 -7.476 156 2HE LYS 15 2HE LYS 15 -3.923 -1.269 -6.749 157 1HZ LYS 15 1HZ LYS 15 -2.421 -1.895 -4.860 158 2HZ LYS 15 2HZ LYS 15 -1.848 -3.170 -5.825 159 3HZ LYS 15 3HZ LYS 15 -1.638 -1.565 -6.331 160 H LYS 16 H LYS 16 -4.724 -1.897 -0.140 161 HA LYS 16 HA LYS 16 -2.622 -3.784 0.222 162 1HB LYS 16 1HB LYS 16 -2.282 -2.769 2.251 163 2HB LYS 16 2HB LYS 16 -3.337 -1.550 1.538 164 1HG LYS 16 1HG LYS 16 -5.294 -2.655 2.596 165 2HG LYS 16 2HG LYS 16 -4.207 -3.822 3.350 166 1HD LYS 16 1HD LYS 16 -3.094 -1.331 3.968 167 2HD LYS 16 2HD LYS 16 -4.832 -1.097 4.161 168 1HE LYS 16 1HE LYS 16 -4.988 -2.956 5.689 169 2HE LYS 16 2HE LYS 16 -3.319 -3.427 5.367 170 1HZ LYS 16 1HZ LYS 16 -3.643 -0.691 6.227 171 2HZ LYS 16 2HZ LYS 16 -4.097 -1.841 7.394 172 3HZ LYS 16 3HZ LYS 16 -2.531 -1.869 6.740 173 H LYS 17 H LYS 17 -5.948 -3.788 1.519 174 HA LYS 17 HA LYS 17 -5.623 -6.484 2.583 175 1HB LYS 17 1HB LYS 17 -7.109 -4.500 3.472 176 2HB LYS 17 2HB LYS 17 -8.274 -5.118 2.303 177 1HG LYS 17 1HG LYS 17 -8.437 -7.206 3.376 178 2HG LYS 17 2HG LYS 17 -6.920 -6.977 4.250 179 1HD LYS 17 1HD LYS 17 -7.877 -5.505 5.794 180 2HD LYS 17 2HD LYS 17 -9.213 -5.090 4.719 181 1HE LYS 17 1HE LYS 17 -9.219 -7.930 5.268 182 2HE LYS 17 2HE LYS 17 -9.229 -7.017 6.776 183 1HZ LYS 17 1HZ LYS 17 -11.031 -5.631 5.651 184 2HZ LYS 17 2HZ LYS 17 -11.163 -6.914 4.551 185 3HZ LYS 17 3HZ LYS 17 -11.456 -7.181 6.202 186 H ILE 18 H ILE 18 -7.617 -4.950 0.040 187 HA ILE 18 HA ILE 18 -8.899 -7.248 -0.911 188 HB ILE 18 HB ILE 18 -9.764 -5.402 -1.933 189 1HG1 ILE 18 1HG1 ILE 18 -7.476 -6.126 -3.771 190 2HG1 ILE 18 2HG1 ILE 18 -9.140 -6.708 -3.855 191 1HG2 ILE 18 1HG2 ILE 18 -6.996 -4.334 -1.613 192 2HG2 ILE 18 2HG2 ILE 18 -8.076 -3.542 -2.759 193 3HG2 ILE 18 3HG2 ILE 18 -8.527 -3.659 -1.058 194 1HD1 ILE 18 1HD1 ILE 18 -9.749 -4.179 -4.083 195 2HD1 ILE 18 2HD1 ILE 18 -8.054 -3.981 -4.524 196 3HD1 ILE 18 3HD1 ILE 18 -9.102 -5.019 -5.492 197 H LYS 19 H LYS 19 -5.799 -5.829 -1.994 198 HA LYS 19 HA LYS 19 -5.236 -7.905 -3.879 199 1HB LYS 19 1HB LYS 19 -3.218 -6.830 -4.212 200 2HB LYS 19 2HB LYS 19 -4.114 -5.524 -3.439 201 1HG LYS 19 1HG LYS 19 -3.183 -6.240 -1.233 202 2HG LYS 19 2HG LYS 19 -2.214 -7.452 -2.071 203 1HD LYS 19 1HD LYS 19 -1.096 -5.690 -3.369 204 2HD LYS 19 2HD LYS 19 -2.084 -4.465 -2.573 205 1HE LYS 19 1HE LYS 19 -0.645 -4.392 -0.848 206 2HE LYS 19 2HE LYS 19 -0.869 -6.119 -0.565 207 1HZ LYS 19 1HZ LYS 19 0.871 -5.190 -2.754 208 2HZ LYS 19 2HZ LYS 19 1.460 -5.238 -1.161 209 3HZ LYS 19 3HZ LYS 19 0.909 -6.660 -1.902 210 H LYS 20 H LYS 20 -5.078 -7.788 -0.448 211 HA LYS 20 HA LYS 20 -3.071 -9.842 -0.106 212 1HB LYS 20 1HB LYS 20 -3.694 -8.161 1.653 213 2HB LYS 20 2HB LYS 20 -5.240 -8.991 1.829 214 1HG LYS 20 1HG LYS 20 -3.896 -11.120 2.257 215 2HG LYS 20 2HG LYS 20 -2.478 -10.081 2.402 216 1HD LYS 20 1HD LYS 20 -3.053 -9.836 4.574 217 2HD LYS 20 2HD LYS 20 -4.367 -8.809 3.993 218 1HE LYS 20 1HE LYS 20 -5.747 -10.927 3.722 219 2HE LYS 20 2HE LYS 20 -4.473 -11.772 4.603 220 1HZ LYS 20 1HZ LYS 20 -5.969 -9.411 5.608 221 2HZ LYS 20 2HZ LYS 20 -6.266 -11.019 6.061 222 3HZ LYS 20 3HZ LYS 20 -4.785 -10.285 6.458 223 H LEU 21 H LEU 21 -6.637 -9.831 0.207 224 HA LEU 21 HA LEU 21 -6.798 -12.685 0.526 225 1HB LEU 21 1HB LEU 21 -9.044 -12.335 0.804 226 2HB LEU 21 2HB LEU 21 -8.518 -10.667 1.006 227 HG LEU 21 HG LEU 21 -8.804 -10.499 -1.573 228 1HD1 LEU 21 1HD1 LEU 21 -9.811 -13.190 -0.974 229 2HD1 LEU 21 2HD1 LEU 21 -10.956 -12.202 -1.880 230 3HD1 LEU 21 3HD1 LEU 21 -9.337 -12.488 -2.520 231 1HD2 LEU 21 1HD2 LEU 21 -11.129 -10.778 0.349 232 2HD2 LEU 21 2HD2 LEU 21 -10.253 -9.301 -0.051 233 3HD2 LEU 21 3HD2 LEU 21 -11.271 -10.078 -1.263 234 H GLU 22 H GLU 22 -7.153 -10.510 -2.250 235 HA GLU 22 HA GLU 22 -8.120 -12.295 -4.176 236 1HB GLU 22 1HB GLU 22 -6.518 -9.830 -4.204 237 2HB GLU 22 2HB GLU 22 -6.232 -10.874 -5.596 238 1HG GLU 22 1HG GLU 22 -9.003 -10.941 -5.262 239 2HG GLU 22 2HG GLU 22 -8.573 -9.258 -4.954 240 H GLU 23 H GLU 23 -5.035 -12.311 -2.589 241 HA GLU 23 HA GLU 23 -4.269 -14.637 -4.251 242 1HB GLU 23 1HB GLU 23 -3.001 -12.182 -4.383 243 2HB GLU 23 2HB GLU 23 -1.995 -13.092 -3.254 244 1HG GLU 23 1HG GLU 23 -1.472 -14.732 -4.832 245 2HG GLU 23 2HG GLU 23 -2.909 -14.399 -5.799 246 H ASP 24 H ASP 24 -1.874 -15.199 -2.857 247 HA ASP 24 HA ASP 24 -1.165 -16.360 -0.946 248 1HB ASP 24 1HB ASP 24 -1.521 -13.971 -0.050 249 2HB ASP 24 2HB ASP 24 -3.041 -14.575 0.609 250 H ASN 25 H ASN 25 -2.704 -18.042 -2.056 251 HA ASN 25 HA ASN 25 -5.068 -18.609 -0.337 252 1HB ASN 25 1HB ASN 25 -4.365 -19.108 -3.137 253 2HB ASN 25 2HB ASN 25 -5.007 -20.539 -2.329 254 1HD2 ASN 25 2HD2 ASN 25 -5.857 -17.461 -3.683 255 2HD2 ASN 25 1HD2 ASN 25 -7.495 -17.481 -3.237 256 HA PRO 26 HA PRO 26 -3.184 -22.079 1.563 257 1HB PRO 26 1HB PRO 26 -5.268 -23.871 1.612 258 2HB PRO 26 2HB PRO 26 -5.186 -22.439 2.655 259 1HG PRO 26 1HG PRO 26 -6.871 -22.906 0.235 260 2HG PRO 26 2HG PRO 26 -7.175 -21.855 1.628 261 1HD PRO 26 1HD PRO 26 -6.256 -21.010 -0.910 262 2HD PRO 26 2HD PRO 26 -6.232 -20.045 0.582 263 H TRP 27 H TRP 27 -5.394 -23.980 -0.434 264 HA TRP 27 HA TRP 27 -3.569 -24.673 -2.519 265 1HB TRP 27 1HB TRP 27 -2.803 -25.798 -0.102 266 2HB TRP 27 2HB TRP 27 -3.729 -27.090 -0.867 267 HD1 TRP 27 HD1 TRP 27 -2.813 -25.792 -3.851 268 HE1 TRP 27 HE1 TRP 27 -0.511 -26.545 -4.732 269 HE3 TRP 27 HE3 TRP 27 -0.710 -27.456 0.495 270 HZ2 TRP 27 HZ2 TRP 27 1.903 -27.701 -3.725 271 HZ3 TRP 27 HZ3 TRP 27 1.590 -28.378 0.505 272 HH2 TRP 27 HH2 TRP 27 2.899 -28.503 -1.597 Start of MODEL 12 1 1H ARG 1 1H ARG 1 -4.978 22.322 -0.247 2 2H ARG 1 2H ARG 1 -5.638 23.259 1.008 3 3H ARG 1 3H ARG 1 -3.953 23.137 0.833 4 HA ARG 1 HA ARG 1 -4.274 21.655 2.522 5 1HB ARG 1 1HB ARG 1 -6.900 21.032 1.143 6 2HB ARG 1 2HB ARG 1 -6.298 20.136 2.540 7 1HG ARG 1 1HG ARG 1 -6.125 22.981 3.030 8 2HG ARG 1 2HG ARG 1 -7.771 22.541 2.575 9 1HD ARG 1 1HD ARG 1 -7.508 20.596 4.261 10 2HD ARG 1 2HD ARG 1 -6.120 21.494 4.873 11 HE ARG 1 HE ARG 1 -8.315 23.290 4.731 12 1HH1 ARG 1 1HH1 ARG 1 -6.560 21.327 6.807 13 2HH1 ARG 1 2HH1 ARG 1 -7.752 21.281 8.061 14 1HH2 ARG 1 1HH2 ARG 1 -10.190 22.860 6.165 15 2HH2 ARG 1 2HH2 ARG 1 -9.808 22.151 7.698 16 H LYS 2 H LYS 2 -3.672 19.393 2.602 17 HA LYS 2 HA LYS 2 -2.597 18.439 0.033 18 1HB LYS 2 1HB LYS 2 -1.444 18.362 2.384 19 2HB LYS 2 2HB LYS 2 -2.426 16.917 2.623 20 1HG LYS 2 1HG LYS 2 -0.373 16.127 1.711 21 2HG LYS 2 2HG LYS 2 -1.515 16.110 0.366 22 1HD LYS 2 1HD LYS 2 0.656 17.115 -0.290 23 2HD LYS 2 2HD LYS 2 -0.664 18.277 -0.412 24 1HE LYS 2 1HE LYS 2 0.413 18.349 2.254 25 2HE LYS 2 2HE LYS 2 1.726 18.536 1.091 26 1HZ LYS 2 1HZ LYS 2 -0.690 20.035 0.514 27 2HZ LYS 2 2HZ LYS 2 0.165 20.537 1.894 28 3HZ LYS 2 3HZ LYS 2 0.935 20.499 0.378 29 H LYS 3 H LYS 3 -5.160 18.283 -0.462 30 HA LYS 3 HA LYS 3 -6.281 15.770 0.501 31 1HB LYS 3 1HB LYS 3 -7.392 18.155 -0.425 32 2HB LYS 3 2HB LYS 3 -7.712 16.998 -1.716 33 1HG LYS 3 1HG LYS 3 -9.559 16.894 -0.161 34 2HG LYS 3 2HG LYS 3 -8.610 15.418 0.028 35 1HD LYS 3 1HD LYS 3 -7.333 16.838 1.853 36 2HD LYS 3 2HD LYS 3 -8.827 17.778 1.866 37 1HE LYS 3 1HE LYS 3 -8.518 14.815 2.412 38 2HE LYS 3 2HE LYS 3 -9.063 16.060 3.536 39 1HZ LYS 3 1HZ LYS 3 -10.968 16.452 2.054 40 2HZ LYS 3 2HZ LYS 3 -10.465 15.160 1.078 41 3HZ LYS 3 3HZ LYS 3 -10.948 14.874 2.682 42 H LEU 4 H LEU 4 -3.882 16.102 -1.336 43 HA LEU 4 HA LEU 4 -4.771 14.601 -3.699 44 1HB LEU 4 1HB LEU 4 -3.030 16.431 -3.860 45 2HB LEU 4 2HB LEU 4 -1.945 15.386 -2.943 46 HG LEU 4 HG LEU 4 -1.699 15.241 -5.471 47 1HD1 LEU 4 1HD1 LEU 4 -1.298 13.377 -3.593 48 2HD1 LEU 4 2HD1 LEU 4 -2.579 12.560 -4.488 49 3HD1 LEU 4 3HD1 LEU 4 -1.086 13.019 -5.307 50 1HD2 LEU 4 1HD2 LEU 4 -4.285 15.328 -5.716 51 2HD2 LEU 4 2HD2 LEU 4 -3.395 14.224 -6.764 52 3HD2 LEU 4 3HD2 LEU 4 -4.231 13.606 -5.341 53 H GLU 5 H GLU 5 -1.959 14.132 -1.568 54 HA GLU 5 HA GLU 5 -1.995 11.284 -1.917 55 1HB GLU 5 1HB GLU 5 -0.132 11.258 -0.481 56 2HB GLU 5 2HB GLU 5 -0.038 12.856 -1.221 57 1HG GLU 5 1HG GLU 5 -1.530 13.568 0.831 58 2HG GLU 5 2HG GLU 5 -0.866 12.107 1.564 59 H GLU 6 H GLU 6 -3.506 13.508 0.297 60 HA GLU 6 HA GLU 6 -4.082 11.920 2.518 61 1HB GLU 6 1HB GLU 6 -5.240 14.258 1.246 62 2HB GLU 6 2HB GLU 6 -6.504 13.227 1.916 63 1HG GLU 6 1HG GLU 6 -4.366 13.321 3.805 64 2HG GLU 6 2HG GLU 6 -4.730 14.978 3.318 65 H LEU 7 H LEU 7 -6.464 12.305 -0.128 66 HA LEU 7 HA LEU 7 -7.793 9.854 0.549 67 1HB LEU 7 1HB LEU 7 -7.947 11.811 -1.718 68 2HB LEU 7 2HB LEU 7 -8.780 10.262 -1.852 69 HG LEU 7 HG LEU 7 -10.049 12.297 -0.805 70 1HD1 LEU 7 1HD1 LEU 7 -9.939 9.438 0.020 71 2HD1 LEU 7 2HD1 LEU 7 -10.869 10.522 1.054 72 3HD1 LEU 7 3HD1 LEU 7 -11.281 10.363 -0.653 73 1HD2 LEU 7 1HD2 LEU 7 -8.150 12.804 0.778 74 2HD2 LEU 7 2HD2 LEU 7 -9.706 12.584 1.579 75 3HD2 LEU 7 3HD2 LEU 7 -8.510 11.289 1.607 76 H GLU 8 H GLU 8 -5.553 10.728 -2.118 77 HA GLU 8 HA GLU 8 -5.493 8.377 -3.570 78 1HB GLU 8 1HB GLU 8 -3.304 10.247 -2.699 79 2HB GLU 8 2HB GLU 8 -2.899 8.794 -3.614 80 1HG GLU 8 1HG GLU 8 -3.344 10.924 -4.973 81 2HG GLU 8 2HG GLU 8 -4.208 9.471 -5.472 82 H ARG 9 H ARG 9 -4.279 8.936 -0.345 83 HA ARG 9 HA ARG 9 -2.937 6.374 -0.120 84 1HB ARG 9 1HB ARG 9 -3.565 8.663 1.685 85 2HB ARG 9 2HB ARG 9 -3.248 7.100 2.439 86 1HG ARG 9 1HG ARG 9 -1.156 6.999 0.936 87 2HG ARG 9 2HG ARG 9 -1.424 8.721 0.659 88 1HD ARG 9 1HD ARG 9 -1.647 8.126 3.478 89 2HD ARG 9 2HD ARG 9 -0.105 7.537 2.855 90 HE ARG 9 HE ARG 9 -0.875 10.312 2.154 91 1HH1 ARG 9 1HH2 ARG 9 -0.230 10.129 5.072 92 2HH1 ARG 9 2HH2 ARG 9 1.481 10.399 5.084 93 1HH2 ARG 9 1HH1 ARG 9 1.871 9.790 1.694 94 2HH2 ARG 9 2HH1 ARG 9 2.669 10.208 3.172 95 H ASP 10 H ASP 10 -6.038 7.738 0.962 96 HA ASP 10 HA ASP 10 -6.942 5.445 2.388 97 1HB ASP 10 1HB ASP 10 -7.960 7.985 1.731 98 2HB ASP 10 2HB ASP 10 -9.117 6.831 1.069 99 H LEU 11 H LEU 11 -6.796 6.126 -1.040 100 HA LEU 11 HA LEU 11 -8.698 4.051 -1.755 101 1HB LEU 11 1HB LEU 11 -8.454 4.812 -3.908 102 2HB LEU 11 2HB LEU 11 -7.818 6.225 -3.069 103 HG LEU 11 HG LEU 11 -5.524 5.015 -3.231 104 1HD1 LEU 11 1HD1 LEU 11 -7.287 3.207 -4.673 105 2HD1 LEU 11 2HD1 LEU 11 -5.969 3.770 -5.701 106 3HD1 LEU 11 3HD1 LEU 11 -5.613 2.965 -4.173 107 1HD2 LEU 11 1HD2 LEU 11 -6.375 7.050 -4.539 108 2HD2 LEU 11 2HD2 LEU 11 -5.075 6.125 -5.292 109 3HD2 LEU 11 3HD2 LEU 11 -6.736 5.923 -5.846 110 H ARG 12 H ARG 12 -5.176 4.367 -1.594 111 HA ARG 12 HA ARG 12 -4.681 1.718 -2.643 112 1HB ARG 12 1HB ARG 12 -3.083 3.950 -1.521 113 2HB ARG 12 2HB ARG 12 -2.389 2.338 -1.344 114 1HG ARG 12 1HG ARG 12 -3.501 2.696 -4.000 115 2HG ARG 12 2HG ARG 12 -2.313 3.949 -3.642 116 1HD ARG 12 1HD ARG 12 -0.723 2.164 -2.906 117 2HD ARG 12 2HD ARG 12 -1.897 0.956 -3.427 118 HE ARG 12 HE ARG 12 -1.014 2.941 -5.442 119 1HH1 ARG 12 1HH1 ARG 12 0.713 0.499 -4.202 120 2HH1 ARG 12 2HH1 ARG 12 0.651 -0.553 -5.575 121 1HH2 ARG 12 1HH2 ARG 12 -1.813 1.268 -7.197 122 2HH2 ARG 12 2HH2 ARG 12 -0.774 -0.116 -7.273 123 H LYS 13 H LYS 13 -5.351 3.087 0.480 124 HA LYS 13 HA LYS 13 -4.248 1.124 2.190 125 1HB LYS 13 1HB LYS 13 -6.063 3.313 2.417 126 2HB LYS 13 2HB LYS 13 -6.815 1.917 3.190 127 1HG LYS 13 1HG LYS 13 -5.089 1.680 4.747 128 2HG LYS 13 2HG LYS 13 -3.928 2.544 3.737 129 1HD LYS 13 1HD LYS 13 -4.380 4.363 4.998 130 2HD LYS 13 2HD LYS 13 -5.941 4.416 4.177 131 1HE LYS 13 1HE LYS 13 -5.764 2.488 6.415 132 2HE LYS 13 2HE LYS 13 -5.665 4.188 6.879 133 1HZ LYS 13 1HZ LYS 13 -7.787 2.997 5.176 134 2HZ LYS 13 2HZ LYS 13 -7.953 3.386 6.822 135 3HZ LYS 13 3HZ LYS 13 -7.700 4.615 5.676 136 H LEU 14 H LEU 14 -7.127 1.047 0.175 137 HA LEU 14 HA LEU 14 -8.206 -1.339 1.411 138 1HB LEU 14 1HB LEU 14 -8.797 0.221 -1.094 139 2HB LEU 14 2HB LEU 14 -9.546 -1.354 -0.822 140 HG LEU 14 HG LEU 14 -9.696 0.276 1.570 141 1HD1 LEU 14 1HD1 LEU 14 -10.373 1.539 -1.033 142 2HD1 LEU 14 2HD1 LEU 14 -11.579 1.699 0.243 143 3HD1 LEU 14 3HD1 LEU 14 -9.936 2.289 0.503 144 1HD2 LEU 14 1HD2 LEU 14 -11.062 -1.780 0.643 145 2HD2 LEU 14 2HD2 LEU 14 -11.876 -0.555 1.616 146 3HD2 LEU 14 3HD2 LEU 14 -12.031 -0.530 -0.141 147 H LYS 15 H LYS 15 -7.030 -0.842 -1.923 148 HA LYS 15 HA LYS 15 -6.678 -3.408 -2.782 149 1HB LYS 15 1HB LYS 15 -5.138 -0.894 -3.199 150 2HB LYS 15 2HB LYS 15 -4.388 -2.393 -3.749 151 1HG LYS 15 1HG LYS 15 -5.849 -2.618 -5.467 152 2HG LYS 15 2HG LYS 15 -7.230 -2.197 -4.453 153 1HD LYS 15 1HD LYS 15 -7.174 -0.016 -5.079 154 2HD LYS 15 2HD LYS 15 -5.415 0.058 -4.984 155 1HE LYS 15 1HE LYS 15 -5.249 -1.119 -7.150 156 2HE LYS 15 2HE LYS 15 -7.008 -1.179 -7.250 157 1HZ LYS 15 1HZ LYS 15 -5.371 1.296 -7.103 158 2HZ LYS 15 2HZ LYS 15 -6.105 0.679 -8.506 159 3HZ LYS 15 3HZ LYS 15 -7.065 1.230 -7.221 160 H LYS 16 H LYS 16 -4.835 -1.804 -0.287 161 HA LYS 16 HA LYS 16 -2.594 -3.548 -0.192 162 1HB LYS 16 1HB LYS 16 -2.017 -2.278 1.591 163 2HB LYS 16 2HB LYS 16 -3.485 -1.358 1.276 164 1HG LYS 16 1HG LYS 16 -4.727 -2.577 2.892 165 2HG LYS 16 2HG LYS 16 -3.515 -3.855 2.980 166 1HD LYS 16 1HD LYS 16 -3.143 -2.570 4.931 167 2HD LYS 16 2HD LYS 16 -1.899 -2.024 3.804 168 1HE LYS 16 1HE LYS 16 -4.131 -0.419 3.244 169 2HE LYS 16 2HE LYS 16 -4.068 -0.512 5.004 170 1HZ LYS 16 1HZ LYS 16 -1.477 -0.175 4.321 171 2HZ LYS 16 2HZ LYS 16 -2.275 0.786 3.170 172 3HZ LYS 16 3HZ LYS 16 -2.522 1.065 4.825 173 H LYS 17 H LYS 17 -5.640 -3.691 1.676 174 HA LYS 17 HA LYS 17 -5.001 -6.373 2.630 175 1HB LYS 17 1HB LYS 17 -6.987 -4.305 3.215 176 2HB LYS 17 2HB LYS 17 -7.663 -5.934 3.228 177 1HG LYS 17 1HG LYS 17 -5.214 -6.192 4.555 178 2HG LYS 17 2HG LYS 17 -5.877 -4.669 5.150 179 1HD LYS 17 1HD LYS 17 -6.708 -6.436 6.574 180 2HD LYS 17 2HD LYS 17 -8.050 -5.873 5.578 181 1HE LYS 17 1HE LYS 17 -7.231 -7.770 3.936 182 2HE LYS 17 2HE LYS 17 -6.504 -8.437 5.397 183 1HZ LYS 17 1HZ LYS 17 -8.927 -7.828 6.294 184 2HZ LYS 17 2HZ LYS 17 -9.303 -8.169 4.676 185 3HZ LYS 17 3HZ LYS 17 -8.533 -9.343 5.633 186 H ILE 18 H ILE 18 -7.423 -4.950 0.416 187 HA ILE 18 HA ILE 18 -8.752 -7.347 -0.246 188 HB ILE 18 HB ILE 18 -9.910 -5.527 -1.019 189 1HG1 ILE 18 1HG1 ILE 18 -8.096 -6.231 -3.334 190 2HG1 ILE 18 2HG1 ILE 18 -9.706 -6.872 -3.004 191 1HG2 ILE 18 1HG2 ILE 18 -7.194 -4.362 -1.309 192 2HG2 ILE 18 2HG2 ILE 18 -8.474 -3.669 -2.301 193 3HG2 ILE 18 3HG2 ILE 18 -8.634 -3.689 -0.546 194 1HD1 ILE 18 1HD1 ILE 18 -10.134 -4.141 -3.042 195 2HD1 ILE 18 2HD1 ILE 18 -8.927 -4.360 -4.309 196 3HD1 ILE 18 3HD1 ILE 18 -10.457 -5.235 -4.387 197 H LYS 19 H LYS 19 -6.135 -5.673 -2.033 198 HA LYS 19 HA LYS 19 -5.763 -7.652 -4.014 199 1HB LYS 19 1HB LYS 19 -4.626 -5.291 -3.652 200 2HB LYS 19 2HB LYS 19 -3.375 -6.252 -2.864 201 1HG LYS 19 1HG LYS 19 -4.434 -6.964 -5.601 202 2HG LYS 19 2HG LYS 19 -3.098 -5.833 -5.388 203 1HD LYS 19 1HD LYS 19 -2.069 -7.709 -3.891 204 2HD LYS 19 2HD LYS 19 -3.207 -8.765 -4.727 205 1HE LYS 19 1HE LYS 19 -1.367 -6.905 -6.234 206 2HE LYS 19 2HE LYS 19 -0.868 -8.532 -5.771 207 1HZ LYS 19 1HZ LYS 19 -2.922 -9.342 -6.893 208 2HZ LYS 19 2HZ LYS 19 -3.163 -7.772 -7.490 209 3HZ LYS 19 3HZ LYS 19 -1.780 -8.649 -7.942 210 H LYS 20 H LYS 20 -4.727 -7.552 -0.668 211 HA LYS 20 HA LYS 20 -2.831 -9.705 -0.835 212 1HB LYS 20 1HB LYS 20 -3.201 -7.964 1.070 213 2HB LYS 20 2HB LYS 20 -4.433 -9.091 1.639 214 1HG LYS 20 1HG LYS 20 -2.296 -10.759 1.103 215 2HG LYS 20 2HG LYS 20 -1.511 -9.316 1.748 216 1HD LYS 20 1HD LYS 20 -3.819 -10.768 3.077 217 2HD LYS 20 2HD LYS 20 -2.124 -10.933 3.539 218 1HE LYS 20 1HE LYS 20 -3.502 -8.246 3.446 219 2HE LYS 20 2HE LYS 20 -3.513 -9.255 4.893 220 1HZ LYS 20 1HZ LYS 20 -1.068 -9.298 4.780 221 2HZ LYS 20 2HZ LYS 20 -1.122 -8.214 3.472 222 3HZ LYS 20 3HZ LYS 20 -1.684 -7.734 5.002 223 H LEU 21 H LEU 21 -6.310 -9.556 -0.128 224 HA LEU 21 HA LEU 21 -6.598 -12.322 0.537 225 1HB LEU 21 1HB LEU 21 -8.827 -11.848 0.734 226 2HB LEU 21 2HB LEU 21 -8.248 -10.186 0.674 227 HG LEU 21 HG LEU 21 -8.516 -10.411 -1.898 228 1HD1 LEU 21 1HD1 LEU 21 -9.344 -13.006 -1.033 229 2HD1 LEU 21 2HD1 LEU 21 -10.751 -12.182 -1.704 230 3HD1 LEU 21 3HD1 LEU 21 -9.293 -12.375 -2.678 231 1HD2 LEU 21 1HD2 LEU 21 -10.943 -10.413 -0.080 232 2HD2 LEU 21 2HD2 LEU 21 -9.948 -9.008 -0.462 233 3HD2 LEU 21 3HD2 LEU 21 -10.898 -9.785 -1.728 234 H GLU 22 H GLU 22 -6.861 -10.562 -2.528 235 HA GLU 22 HA GLU 22 -7.460 -13.026 -3.988 236 1HB GLU 22 1HB GLU 22 -7.247 -11.451 -5.999 237 2HB GLU 22 2HB GLU 22 -8.547 -11.096 -4.862 238 1HG GLU 22 1HG GLU 22 -7.305 -9.328 -3.843 239 2HG GLU 22 2HG GLU 22 -5.816 -9.818 -4.652 240 H GLU 23 H GLU 23 -4.724 -11.897 -2.640 241 HA GLU 23 HA GLU 23 -2.841 -12.104 -4.810 242 1HB GLU 23 1HB GLU 23 -2.320 -10.896 -2.713 243 2HB GLU 23 2HB GLU 23 -2.395 -12.421 -1.827 244 1HG GLU 23 1HG GLU 23 -0.486 -13.289 -2.954 245 2HG GLU 23 2HG GLU 23 -0.544 -12.027 -4.184 246 H ASP 24 H ASP 24 -3.149 -14.257 -1.970 247 HA ASP 24 HA ASP 24 -2.997 -16.595 -1.828 248 1HB ASP 24 1HB ASP 24 -4.613 -16.147 -3.960 249 2HB ASP 24 2HB ASP 24 -3.279 -16.983 -4.757 250 H ASN 25 H ASN 25 -1.663 -15.909 -5.082 251 HA ASN 25 HA ASN 25 0.522 -17.682 -4.885 252 1HB ASN 25 1HB ASN 25 -0.132 -15.294 -6.538 253 2HB ASN 25 2HB ASN 25 1.562 -15.784 -6.497 254 1HD2 ASN 25 2HD2 ASN 25 -1.562 -16.569 -7.793 255 2HD2 ASN 25 1HD2 ASN 25 -1.107 -18.001 -8.582 256 HA PRO 26 HA PRO 26 3.143 -15.647 -1.992 257 1HB PRO 26 1HB PRO 26 5.421 -17.084 -2.549 258 2HB PRO 26 2HB PRO 26 4.065 -17.724 -1.603 259 1HG PRO 26 1HG PRO 26 4.852 -18.344 -4.414 260 2HG PRO 26 2HG PRO 26 3.969 -19.345 -3.249 261 1HD PRO 26 1HD PRO 26 2.821 -17.891 -5.388 262 2HD PRO 26 2HD PRO 26 1.939 -18.614 -4.027 263 H TRP 27 H TRP 27 5.262 -16.463 -4.744 264 HA TRP 27 HA TRP 27 6.376 -13.745 -4.697 265 1HB TRP 27 1HB TRP 27 7.417 -16.217 -5.331 266 2HB TRP 27 2HB TRP 27 7.155 -15.506 -6.923 267 HD1 TRP 27 HD1 TRP 27 8.209 -12.955 -7.243 268 HE1 TRP 27 HE1 TRP 27 10.439 -12.021 -6.350 269 HE3 TRP 27 HE3 TRP 27 9.146 -16.320 -3.520 270 HZ2 TRP 27 HZ2 TRP 27 12.365 -12.618 -4.321 271 HZ3 TRP 27 HZ3 TRP 27 11.182 -16.114 -2.122 272 HH2 TRP 27 HH2 TRP 27 12.791 -14.269 -2.519 Start of MODEL 13 1 1H ARG 1 1H ARG 1 -4.548 23.218 0.280 2 2H ARG 1 2H ARG 1 -5.262 23.792 1.708 3 3H ARG 1 3H ARG 1 -3.865 22.826 1.786 4 HA ARG 1 HA ARG 1 -5.793 21.521 2.374 5 1HB ARG 1 1HB ARG 1 -6.794 22.791 -0.129 6 2HB ARG 1 2HB ARG 1 -7.280 21.121 0.167 7 1HG ARG 1 1HG ARG 1 -8.932 22.077 1.409 8 2HG ARG 1 2HG ARG 1 -7.674 22.212 2.635 9 1HD ARG 1 1HD ARG 1 -8.875 24.370 2.231 10 2HD ARG 1 2HD ARG 1 -7.145 24.475 1.912 11 HE ARG 1 HE ARG 1 -8.801 23.844 -0.433 12 1HH1 ARG 1 1HH1 ARG 1 -6.094 25.453 0.279 13 2HH1 ARG 1 2HH1 ARG 1 -6.529 26.976 -0.422 14 1HH2 ARG 1 1HH2 ARG 1 -9.872 26.144 -0.813 15 2HH2 ARG 1 2HH2 ARG 1 -8.667 27.366 -1.040 16 H LYS 2 H LYS 2 -4.046 20.023 2.355 17 HA LYS 2 HA LYS 2 -3.201 18.927 -0.255 18 1HB LYS 2 1HB LYS 2 -1.898 17.360 1.501 19 2HB LYS 2 2HB LYS 2 -1.301 18.953 1.041 20 1HG LYS 2 1HG LYS 2 -2.233 19.963 3.011 21 2HG LYS 2 2HG LYS 2 -3.136 18.500 3.407 22 1HD LYS 2 1HD LYS 2 -0.274 17.987 3.094 23 2HD LYS 2 2HD LYS 2 -0.611 19.160 4.370 24 1HE LYS 2 1HE LYS 2 -1.430 17.558 5.726 25 2HE LYS 2 2HE LYS 2 -2.501 16.958 4.459 26 1HZ LYS 2 1HZ LYS 2 0.293 16.346 4.063 27 2HZ LYS 2 2HZ LYS 2 -0.389 15.615 5.432 28 3HZ LYS 2 3HZ LYS 2 -1.073 15.349 3.901 29 H LYS 3 H LYS 3 -5.927 18.501 0.361 30 HA LYS 3 HA LYS 3 -6.200 15.813 1.408 31 1HB LYS 3 1HB LYS 3 -8.493 16.203 1.388 32 2HB LYS 3 2HB LYS 3 -7.878 17.850 1.516 33 1HG LYS 3 1HG LYS 3 -8.609 16.477 -1.089 34 2HG LYS 3 2HG LYS 3 -9.631 17.637 -0.240 35 1HD LYS 3 1HD LYS 3 -7.524 19.184 -0.343 36 2HD LYS 3 2HD LYS 3 -7.007 18.102 -1.637 37 1HE LYS 3 1HE LYS 3 -9.211 18.495 -2.768 38 2HE LYS 3 2HE LYS 3 -9.586 19.691 -1.528 39 1HZ LYS 3 1HZ LYS 3 -7.088 19.848 -3.090 40 2HZ LYS 3 2HZ LYS 3 -8.538 20.495 -3.696 41 3HZ LYS 3 3HZ LYS 3 -7.891 21.081 -2.242 42 H LEU 4 H LEU 4 -4.789 16.618 -1.194 43 HA LEU 4 HA LEU 4 -6.280 15.010 -3.145 44 1HB LEU 4 1HB LEU 4 -5.153 17.102 -3.881 45 2HB LEU 4 2HB LEU 4 -3.601 16.401 -3.421 46 HG LEU 4 HG LEU 4 -4.329 16.217 -5.906 47 1HD1 LEU 4 1HD1 LEU 4 -2.711 14.682 -4.272 48 2HD1 LEU 4 2HD1 LEU 4 -3.750 13.476 -5.031 49 3HD1 LEU 4 3HD1 LEU 4 -2.787 14.563 -6.030 50 1HD2 LEU 4 1HD2 LEU 4 -6.647 15.427 -5.313 51 2HD2 LEU 4 2HD2 LEU 4 -5.801 14.358 -6.430 52 3HD2 LEU 4 3HD2 LEU 4 -5.932 13.927 -4.724 53 H GLU 5 H GLU 5 -2.865 15.053 -2.082 54 HA GLU 5 HA GLU 5 -2.412 12.319 -2.789 55 1HB GLU 5 1HB GLU 5 -0.946 14.088 -0.811 56 2HB GLU 5 2HB GLU 5 -0.317 12.610 -1.540 57 1HG GLU 5 1HG GLU 5 -1.230 14.987 -3.173 58 2HG GLU 5 2HG GLU 5 0.441 14.772 -2.646 59 H GLU 6 H GLU 6 -3.679 13.955 0.012 60 HA GLU 6 HA GLU 6 -3.318 12.038 2.036 61 1HB GLU 6 1HB GLU 6 -4.993 14.341 1.563 62 2HB GLU 6 2HB GLU 6 -5.950 13.061 2.310 63 1HG GLU 6 1HG GLU 6 -3.223 13.759 3.381 64 2HG GLU 6 2HG GLU 6 -4.644 14.687 3.864 65 H LEU 7 H LEU 7 -6.274 12.358 0.017 66 HA LEU 7 HA LEU 7 -7.288 9.805 0.777 67 1HB LEU 7 1HB LEU 7 -8.127 11.957 -0.868 68 2HB LEU 7 2HB LEU 7 -8.178 10.501 -1.862 69 HG LEU 7 HG LEU 7 -9.607 11.053 0.729 70 1HD1 LEU 7 1HD1 LEU 7 -10.274 10.656 -2.103 71 2HD1 LEU 7 2HD1 LEU 7 -11.258 9.683 -1.008 72 3HD1 LEU 7 3HD1 LEU 7 -11.209 11.437 -0.829 73 1HD2 LEU 7 1HD2 LEU 7 -8.545 8.486 -0.303 74 2HD2 LEU 7 2HD2 LEU 7 -9.017 8.929 1.339 75 3HD2 LEU 7 3HD2 LEU 7 -10.246 8.457 0.164 76 H GLU 8 H GLU 8 -5.435 10.846 -2.096 77 HA GLU 8 HA GLU 8 -5.388 8.528 -3.601 78 1HB GLU 8 1HB GLU 8 -3.572 10.764 -3.189 79 2HB GLU 8 2HB GLU 8 -2.679 9.272 -3.492 80 1HG GLU 8 1HG GLU 8 -4.580 9.014 -5.380 81 2HG GLU 8 2HG GLU 8 -4.526 10.775 -5.282 82 H ARG 9 H ARG 9 -3.996 9.062 -0.455 83 HA ARG 9 HA ARG 9 -2.436 6.616 -0.439 84 1HB ARG 9 1HB ARG 9 -3.185 8.710 1.570 85 2HB ARG 9 2HB ARG 9 -2.587 7.153 2.148 86 1HG ARG 9 1HG ARG 9 -0.526 7.397 0.936 87 2HG ARG 9 2HG ARG 9 -1.140 8.800 0.060 88 1HD ARG 9 1HD ARG 9 -1.387 9.265 2.889 89 2HD ARG 9 2HD ARG 9 0.269 8.786 2.520 90 HE ARG 9 HE ARG 9 -0.404 10.688 0.580 91 1HH1 ARG 9 1HH1 ARG 9 -1.815 11.367 3.383 92 2HH1 ARG 9 2HH1 ARG 9 -0.757 12.639 3.893 93 1HH2 ARG 9 1HH2 ARG 9 1.657 11.946 1.499 94 2HH2 ARG 9 2HH2 ARG 9 1.212 12.967 2.826 95 H ASP 10 H ASP 10 -5.560 7.692 0.901 96 HA ASP 10 HA ASP 10 -6.235 5.284 2.239 97 1HB ASP 10 1HB ASP 10 -7.520 7.731 1.618 98 2HB ASP 10 2HB ASP 10 -8.574 6.449 1.022 99 H LEU 11 H LEU 11 -5.987 5.964 -1.132 100 HA LEU 11 HA LEU 11 -7.822 3.908 -2.017 101 1HB LEU 11 1HB LEU 11 -7.248 4.562 -4.163 102 2HB LEU 11 2HB LEU 11 -6.804 6.018 -3.276 103 HG LEU 11 HG LEU 11 -4.473 4.860 -3.032 104 1HD1 LEU 11 1HD1 LEU 11 -5.804 2.832 -4.364 105 2HD1 LEU 11 2HD1 LEU 11 -4.913 3.631 -5.660 106 3HD1 LEU 11 3HD1 LEU 11 -4.050 3.001 -4.256 107 1HD2 LEU 11 1HD2 LEU 11 -5.352 6.833 -4.584 108 2HD2 LEU 11 2HD2 LEU 11 -3.735 6.160 -4.804 109 3HD2 LEU 11 3HD2 LEU 11 -5.054 5.653 -5.859 110 H ARG 12 H ARG 12 -4.372 4.150 -1.371 111 HA ARG 12 HA ARG 12 -3.702 1.533 -2.372 112 1HB ARG 12 1HB ARG 12 -1.583 2.198 -1.916 113 2HB ARG 12 2HB ARG 12 -2.294 3.760 -1.518 114 1HG ARG 12 1HG ARG 12 -2.667 2.793 0.841 115 2HG ARG 12 2HG ARG 12 -1.548 1.517 0.361 116 1HD ARG 12 1HD ARG 12 -0.991 4.493 0.449 117 2HD ARG 12 2HD ARG 12 -0.266 3.247 1.464 118 HE ARG 12 HE ARG 12 0.162 3.129 -1.481 119 1HH1 ARG 12 1HH1 ARG 12 1.637 1.302 0.341 120 2HH1 ARG 12 2HH1 ARG 12 3.151 2.118 0.547 121 1HH2 ARG 12 1HH2 ARG 12 1.968 5.165 -0.612 122 2HH2 ARG 12 2HH2 ARG 12 3.339 4.306 0.009 123 H LYS 13 H LYS 13 -4.739 2.824 0.736 124 HA LYS 13 HA LYS 13 -4.120 0.634 2.404 125 1HB LYS 13 1HB LYS 13 -5.520 3.031 2.666 126 2HB LYS 13 2HB LYS 13 -6.732 1.793 2.998 127 1HG LYS 13 1HG LYS 13 -5.732 1.164 4.941 128 2HG LYS 13 2HG LYS 13 -4.112 1.291 4.253 129 1HD LYS 13 1HD LYS 13 -4.204 3.743 4.460 130 2HD LYS 13 2HD LYS 13 -5.831 3.628 5.134 131 1HE LYS 13 1HE LYS 13 -4.930 3.366 7.177 132 2HE LYS 13 2HE LYS 13 -4.209 1.852 6.633 133 1HZ LYS 13 1HZ LYS 13 -2.531 3.589 5.551 134 2HZ LYS 13 2HZ LYS 13 -3.013 4.489 6.908 135 3HZ LYS 13 3HZ LYS 13 -2.316 2.951 7.107 136 H LEU 14 H LEU 14 -6.687 1.025 0.036 137 HA LEU 14 HA LEU 14 -8.255 -1.214 0.943 138 1HB LEU 14 1HB LEU 14 -8.326 0.700 -1.240 139 2HB LEU 14 2HB LEU 14 -8.677 -0.927 -1.820 140 HG LEU 14 HG LEU 14 -10.000 0.149 0.666 141 1HD1 LEU 14 1HD1 LEU 14 -10.262 1.382 -1.795 142 2HD1 LEU 14 2HD1 LEU 14 -11.595 0.225 -1.799 143 3HD1 LEU 14 3HD1 LEU 14 -11.467 1.419 -0.507 144 1HD2 LEU 14 1HD2 LEU 14 -9.999 -2.311 -0.732 145 2HD2 LEU 14 2HD2 LEU 14 -11.045 -1.846 0.610 146 3HD2 LEU 14 3HD2 LEU 14 -11.565 -1.566 -1.052 147 H LYS 15 H LYS 15 -6.355 -0.906 -2.059 148 HA LYS 15 HA LYS 15 -6.169 -3.533 -2.838 149 1HB LYS 15 1HB LYS 15 -4.636 -1.162 -3.288 150 2HB LYS 15 2HB LYS 15 -3.512 -2.493 -3.016 151 1HG LYS 15 1HG LYS 15 -3.871 -2.859 -5.249 152 2HG LYS 15 2HG LYS 15 -5.280 -3.730 -4.642 153 1HD LYS 15 1HD LYS 15 -6.323 -1.250 -4.728 154 2HD LYS 15 2HD LYS 15 -5.129 -1.095 -6.018 155 1HE LYS 15 1HE LYS 15 -6.155 -2.686 -7.348 156 2HE LYS 15 2HE LYS 15 -6.842 -3.546 -5.971 157 1HZ LYS 15 1HZ LYS 15 -7.779 -0.831 -6.315 158 2HZ LYS 15 2HZ LYS 15 -8.227 -1.897 -7.557 159 3HZ LYS 15 3HZ LYS 15 -8.647 -2.244 -5.947 160 H LYS 16 H LYS 16 -4.705 -2.098 -0.017 161 HA LYS 16 HA LYS 16 -2.716 -4.035 0.546 162 1HB LYS 16 1HB LYS 16 -4.043 -1.897 1.951 163 2HB LYS 16 2HB LYS 16 -3.907 -3.302 3.008 164 1HG LYS 16 1HG LYS 16 -1.462 -2.925 1.504 165 2HG LYS 16 2HG LYS 16 -1.877 -1.456 2.389 166 1HD LYS 16 1HD LYS 16 -0.834 -2.524 4.119 167 2HD LYS 16 2HD LYS 16 -2.398 -3.323 4.291 168 1HE LYS 16 1HE LYS 16 -0.500 -4.943 4.241 169 2HE LYS 16 2HE LYS 16 -1.638 -5.191 2.915 170 1HZ LYS 16 1HZ LYS 16 0.603 -3.371 2.457 171 2HZ LYS 16 2HZ LYS 16 0.946 -5.035 2.514 172 3HZ LYS 16 3HZ LYS 16 -0.166 -4.438 1.383 173 H LYS 17 H LYS 17 -6.110 -3.928 1.656 174 HA LYS 17 HA LYS 17 -5.912 -6.684 2.621 175 1HB LYS 17 1HB LYS 17 -7.828 -4.451 2.878 176 2HB LYS 17 2HB LYS 17 -8.548 -6.061 2.855 177 1HG LYS 17 1HG LYS 17 -6.483 -6.519 4.537 178 2HG LYS 17 2HG LYS 17 -6.767 -4.813 4.879 179 1HD LYS 17 1HD LYS 17 -9.327 -5.920 4.777 180 2HD LYS 17 2HD LYS 17 -8.366 -7.129 5.627 181 1HE LYS 17 1HE LYS 17 -9.155 -5.632 7.314 182 2HE LYS 17 2HE LYS 17 -7.463 -5.210 7.052 183 1HZ LYS 17 1HZ LYS 17 -9.419 -3.850 5.379 184 2HZ LYS 17 2HZ LYS 17 -9.410 -3.425 7.024 185 3HZ LYS 17 3HZ LYS 17 -7.999 -3.254 6.097 186 H ILE 18 H ILE 18 -7.780 -4.942 0.106 187 HA ILE 18 HA ILE 18 -9.207 -7.141 -0.896 188 HB ILE 18 HB ILE 18 -9.955 -5.195 -1.841 189 1HG1 ILE 18 1HG1 ILE 18 -7.791 -6.083 -3.755 190 2HG1 ILE 18 2HG1 ILE 18 -9.493 -6.550 -3.779 191 1HG2 ILE 18 1HG2 ILE 18 -7.116 -4.368 -1.540 192 2HG2 ILE 18 2HG2 ILE 18 -8.086 -3.511 -2.737 193 3HG2 ILE 18 3HG2 ILE 18 -8.589 -3.534 -1.048 194 1HD1 ILE 18 1HD1 ILE 18 -10.003 -4.044 -4.045 195 2HD1 ILE 18 2HD1 ILE 18 -8.287 -3.849 -4.400 196 3HD1 ILE 18 3HD1 ILE 18 -9.294 -4.853 -5.442 197 H LYS 19 H LYS 19 -6.045 -5.852 -1.973 198 HA LYS 19 HA LYS 19 -5.580 -7.913 -3.896 199 1HB LYS 19 1HB LYS 19 -3.533 -6.918 -4.214 200 2HB LYS 19 2HB LYS 19 -4.313 -5.607 -3.333 201 1HG LYS 19 1HG LYS 19 -3.401 -6.592 -1.201 202 2HG LYS 19 2HG LYS 19 -2.496 -7.744 -2.182 203 1HD LYS 19 1HD LYS 19 -1.687 -5.554 -3.432 204 2HD LYS 19 2HD LYS 19 -2.114 -4.786 -1.903 205 1HE LYS 19 1HE LYS 19 -0.225 -7.135 -2.238 206 2HE LYS 19 2HE LYS 19 0.247 -5.474 -1.882 207 1HZ LYS 19 1HZ LYS 19 -1.696 -6.191 -0.032 208 2HZ LYS 19 2HZ LYS 19 -0.596 -7.484 -0.101 209 3HZ LYS 19 3HZ LYS 19 -0.047 -5.915 0.252 210 H LYS 20 H LYS 20 -5.210 -7.774 -0.439 211 HA LYS 20 HA LYS 20 -3.398 -9.965 -0.126 212 1HB LYS 20 1HB LYS 20 -4.247 -8.202 1.614 213 2HB LYS 20 2HB LYS 20 -5.558 -9.351 1.873 214 1HG LYS 20 1HG LYS 20 -2.713 -10.317 1.886 215 2HG LYS 20 2HG LYS 20 -3.379 -9.544 3.323 216 1HD LYS 20 1HD LYS 20 -4.657 -11.896 1.898 217 2HD LYS 20 2HD LYS 20 -3.656 -12.028 3.344 218 1HE LYS 20 1HE LYS 20 -5.328 -11.322 4.699 219 2HE LYS 20 2HE LYS 20 -5.786 -10.026 3.595 220 1HZ LYS 20 1HZ LYS 20 -6.795 -11.814 2.174 221 2HZ LYS 20 2HZ LYS 20 -6.579 -12.878 3.478 222 3HZ LYS 20 3HZ LYS 20 -7.585 -11.519 3.649 223 H LEU 21 H LEU 21 -6.967 -9.810 -0.109 224 HA LEU 21 HA LEU 21 -7.378 -12.587 0.369 225 1HB LEU 21 1HB LEU 21 -9.626 -12.158 -0.039 226 2HB LEU 21 2HB LEU 21 -9.042 -10.547 0.368 227 HG LEU 21 HG LEU 21 -8.617 -10.314 -2.194 228 1HD1 LEU 21 1HD1 LEU 21 -9.672 -12.945 -2.069 229 2HD1 LEU 21 2HD1 LEU 21 -10.911 -11.940 -2.819 230 3HD1 LEU 21 3HD1 LEU 21 -9.292 -12.010 -3.515 231 1HD2 LEU 21 1HD2 LEU 21 -11.401 -10.393 -0.994 232 2HD2 LEU 21 2HD2 LEU 21 -10.300 -9.017 -0.991 233 3HD2 LEU 21 3HD2 LEU 21 -10.989 -9.591 -2.509 234 H GLU 22 H GLU 22 -6.950 -10.743 -2.611 235 HA GLU 22 HA GLU 22 -7.458 -12.996 -4.349 236 1HB GLU 22 1HB GLU 22 -6.279 -10.253 -4.739 237 2HB GLU 22 2HB GLU 22 -6.242 -11.442 -6.041 238 1HG GLU 22 1HG GLU 22 -8.808 -11.711 -5.428 239 2HG GLU 22 2HG GLU 22 -8.597 -10.082 -4.783 240 H GLU 23 H GLU 23 -4.923 -12.351 -2.278 241 HA GLU 23 HA GLU 23 -2.617 -12.969 -3.805 242 1HB GLU 23 1HB GLU 23 -3.361 -13.171 -0.920 243 2HB GLU 23 2HB GLU 23 -1.912 -14.019 -1.457 244 1HG GLU 23 1HG GLU 23 -2.258 -11.212 -2.396 245 2HG GLU 23 2HG GLU 23 -1.853 -11.444 -0.696 246 H ASP 24 H ASP 24 -5.178 -15.028 -2.591 247 HA ASP 24 HA ASP 24 -3.991 -17.544 -2.530 248 1HB ASP 24 1HB ASP 24 -6.347 -17.308 -2.042 249 2HB ASP 24 2HB ASP 24 -6.680 -16.755 -3.683 250 H ASN 25 H ASN 25 -5.551 -16.202 -5.468 251 HA ASN 25 HA ASN 25 -4.599 -18.102 -7.293 252 1HB ASN 25 1HB ASN 25 -5.760 -15.467 -7.423 253 2HB ASN 25 2HB ASN 25 -4.466 -15.599 -8.614 254 1HD2 ASN 25 2HD2 ASN 25 -6.764 -15.434 -9.902 255 2HD2 ASN 25 1HD2 ASN 25 -7.384 -16.939 -10.382 256 HA PRO 26 HA PRO 26 -0.320 -17.339 -7.840 257 1HB PRO 26 1HB PRO 26 -0.047 -17.528 -10.570 258 2HB PRO 26 2HB PRO 26 -0.334 -18.921 -9.514 259 1HG PRO 26 1HG PRO 26 -2.230 -17.542 -11.356 260 2HG PRO 26 2HG PRO 26 -2.236 -19.221 -10.792 261 1HD PRO 26 1HD PRO 26 -3.887 -17.138 -9.816 262 2HD PRO 26 2HD PRO 26 -3.641 -18.722 -9.049 263 H TRP 27 H TRP 27 -1.270 -15.872 -10.922 264 HA TRP 27 HA TRP 27 -0.812 -13.147 -9.907 265 1HB TRP 27 1HB TRP 27 1.384 -14.568 -10.821 266 2HB TRP 27 2HB TRP 27 0.882 -13.657 -12.245 267 HD1 TRP 27 HD1 TRP 27 0.627 -12.522 -8.573 268 HE1 TRP 27 HE1 TRP 27 1.968 -10.336 -8.306 269 HE3 TRP 27 HE3 TRP 27 2.649 -12.150 -13.248 270 HZ2 TRP 27 HZ2 TRP 27 3.673 -8.654 -9.869 271 HZ3 TRP 27 HZ3 TRP 27 4.126 -10.247 -13.831 272 HH2 TRP 27 HH2 TRP 27 4.640 -8.500 -12.149 Start of MODEL 14 1 1H ARG 1 1H ARG 1 -3.415 21.954 2.494 2 2H ARG 1 2H ARG 1 -4.190 23.076 1.480 3 3H ARG 1 3H ARG 1 -4.580 23.009 3.132 4 HA ARG 1 HA ARG 1 -5.720 21.007 2.932 5 1HB ARG 1 1HB ARG 1 -6.170 22.737 0.487 6 2HB ARG 1 2HB ARG 1 -7.229 21.396 0.924 7 1HG ARG 1 1HG ARG 1 -7.491 22.480 3.202 8 2HG ARG 1 2HG ARG 1 -6.654 23.888 2.547 9 1HD ARG 1 1HD ARG 1 -8.424 24.491 1.213 10 2HD ARG 1 2HD ARG 1 -8.925 22.823 0.944 11 HE ARG 1 HE ARG 1 -10.017 22.871 3.151 12 1HH1 ARG 1 1HH1 ARG 1 -8.155 25.644 3.019 13 2HH1 ARG 1 2HH1 ARG 1 -9.398 26.725 3.556 14 1HH2 ARG 1 1HH2 ARG 1 -11.913 24.342 3.374 15 2HH2 ARG 1 2HH2 ARG 1 -11.526 25.988 3.757 16 H LYS 2 H LYS 2 -3.642 19.660 2.551 17 HA LYS 2 HA LYS 2 -3.208 18.804 -0.228 18 1HB LYS 2 1HB LYS 2 -2.070 17.692 2.354 19 2HB LYS 2 2HB LYS 2 -1.491 17.342 0.723 20 1HG LYS 2 1HG LYS 2 -1.678 20.217 1.353 21 2HG LYS 2 2HG LYS 2 -0.494 19.337 2.319 22 1HD LYS 2 1HD LYS 2 0.777 18.735 0.464 23 2HD LYS 2 2HD LYS 2 -0.589 18.872 -0.642 24 1HE LYS 2 1HE LYS 2 -0.547 21.391 -0.092 25 2HE LYS 2 2HE LYS 2 1.054 21.087 0.581 26 1HZ LYS 2 1HZ LYS 2 0.272 20.271 -2.157 27 2HZ LYS 2 2HZ LYS 2 0.999 21.766 -1.813 28 3HZ LYS 2 3HZ LYS 2 1.832 20.321 -1.495 29 H LYS 3 H LYS 3 -5.793 18.274 0.158 30 HA LYS 3 HA LYS 3 -6.128 15.584 1.222 31 1HB LYS 3 1HB LYS 3 -7.981 17.643 0.056 32 2HB LYS 3 2HB LYS 3 -8.523 15.979 0.287 33 1HG LYS 3 1HG LYS 3 -9.138 17.021 2.307 34 2HG LYS 3 2HG LYS 3 -7.599 16.257 2.705 35 1HD LYS 3 1HD LYS 3 -7.018 18.817 1.597 36 2HD LYS 3 2HD LYS 3 -8.276 19.040 2.813 37 1HE LYS 3 1HE LYS 3 -5.702 17.504 3.270 38 2HE LYS 3 2HE LYS 3 -5.976 19.171 3.776 39 1HZ LYS 3 1HZ LYS 3 -7.917 18.361 5.049 40 2HZ LYS 3 2HZ LYS 3 -7.471 16.767 4.666 41 3HZ LYS 3 3HZ LYS 3 -6.439 17.732 5.604 42 H LEU 4 H LEU 4 -4.556 16.393 -1.256 43 HA LEU 4 HA LEU 4 -5.928 14.851 -3.344 44 1HB LEU 4 1HB LEU 4 -4.657 16.968 -3.871 45 2HB LEU 4 2HB LEU 4 -3.177 16.116 -3.431 46 HG LEU 4 HG LEU 4 -3.752 16.124 -5.918 47 1HD1 LEU 4 1HD1 LEU 4 -2.484 14.277 -4.369 48 2HD1 LEU 4 2HD1 LEU 4 -3.735 13.276 -5.108 49 3HD1 LEU 4 3HD1 LEU 4 -2.601 14.164 -6.126 50 1HD2 LEU 4 1HD2 LEU 4 -6.246 15.631 -5.282 51 2HD2 LEU 4 2HD2 LEU 4 -5.562 14.856 -6.711 52 3HD2 LEU 4 3HD2 LEU 4 -5.712 13.953 -5.204 53 H GLU 5 H GLU 5 -2.607 14.826 -2.034 54 HA GLU 5 HA GLU 5 -2.164 12.077 -2.721 55 1HB GLU 5 1HB GLU 5 -0.760 13.923 -0.769 56 2HB GLU 5 2HB GLU 5 -0.147 12.347 -1.273 57 1HG GLU 5 1HG GLU 5 -0.901 13.991 -3.555 58 2HG GLU 5 2HG GLU 5 0.320 14.780 -2.556 59 H GLU 6 H GLU 6 -3.463 13.771 0.050 60 HA GLU 6 HA GLU 6 -3.230 11.808 2.058 61 1HB GLU 6 1HB GLU 6 -4.755 14.207 1.619 62 2HB GLU 6 2HB GLU 6 -5.816 12.967 2.289 63 1HG GLU 6 1HG GLU 6 -3.286 12.869 3.649 64 2HG GLU 6 2HG GLU 6 -3.888 14.527 3.673 65 H LEU 7 H LEU 7 -6.135 12.324 0.010 66 HA LEU 7 HA LEU 7 -7.351 9.855 0.714 67 1HB LEU 7 1HB LEU 7 -7.703 11.847 -1.486 68 2HB LEU 7 2HB LEU 7 -8.490 10.277 -1.645 69 HG LEU 7 HG LEU 7 -9.752 12.233 -0.435 70 1HD1 LEU 7 1HD1 LEU 7 -9.609 9.336 0.044 71 2HD1 LEU 7 2HD1 LEU 7 -10.316 10.236 1.385 72 3HD1 LEU 7 3HD1 LEU 7 -11.019 10.360 -0.227 73 1HD2 LEU 7 1HD2 LEU 7 -7.698 12.571 1.086 74 2HD2 LEU 7 2HD2 LEU 7 -9.274 12.514 1.878 75 3HD2 LEU 7 3HD2 LEU 7 -8.218 11.101 1.910 76 H GLU 8 H GLU 8 -5.373 10.714 -2.151 77 HA GLU 8 HA GLU 8 -5.446 8.342 -3.576 78 1HB GLU 8 1HB GLU 8 -2.940 9.926 -2.913 79 2HB GLU 8 2HB GLU 8 -3.107 8.787 -4.250 80 1HG GLU 8 1HG GLU 8 -5.270 10.729 -4.251 81 2HG GLU 8 2HG GLU 8 -3.698 11.526 -4.316 82 H ARG 9 H ARG 9 -4.018 8.913 -0.447 83 HA ARG 9 HA ARG 9 -2.575 6.392 -0.367 84 1HB ARG 9 1HB ARG 9 -3.045 8.680 1.462 85 2HB ARG 9 2HB ARG 9 -2.754 7.122 2.234 86 1HG ARG 9 1HG ARG 9 -0.968 8.123 0.019 87 2HG ARG 9 2HG ARG 9 -0.692 8.586 1.698 88 1HD ARG 9 1HD ARG 9 -0.114 6.445 2.341 89 2HD ARG 9 2HD ARG 9 -1.113 5.690 1.099 90 HE ARG 9 HE ARG 9 0.792 6.836 -0.438 91 1HH1 ARG 9 1HH1 ARG 9 2.220 6.797 2.380 92 2HH1 ARG 9 2HH1 ARG 9 3.251 5.424 2.146 93 1HH2 ARG 9 1HH2 ARG 9 1.586 4.318 -0.685 94 2HH2 ARG 9 2HH2 ARG 9 2.892 4.022 0.413 95 H ASP 10 H ASP 10 -5.597 7.664 1.037 96 HA ASP 10 HA ASP 10 -6.294 5.279 2.443 97 1HB ASP 10 1HB ASP 10 -7.394 7.835 2.110 98 2HB ASP 10 2HB ASP 10 -8.615 6.730 1.475 99 H LEU 11 H LEU 11 -6.576 6.163 -0.932 100 HA LEU 11 HA LEU 11 -8.557 4.153 -1.565 101 1HB LEU 11 1HB LEU 11 -8.455 4.972 -3.709 102 2HB LEU 11 2HB LEU 11 -7.708 6.338 -2.886 103 HG LEU 11 HG LEU 11 -5.477 5.047 -3.257 104 1HD1 LEU 11 1HD1 LEU 11 -7.400 3.336 -4.581 105 2HD1 LEU 11 2HD1 LEU 11 -6.205 3.924 -5.738 106 3HD1 LEU 11 3HD1 LEU 11 -5.683 3.056 -4.293 107 1HD2 LEU 11 1HD2 LEU 11 -6.980 6.904 -4.834 108 2HD2 LEU 11 2HD2 LEU 11 -5.228 6.748 -4.709 109 3HD2 LEU 11 3HD2 LEU 11 -6.111 5.827 -5.926 110 H ARG 12 H ARG 12 -5.035 4.363 -1.667 111 HA ARG 12 HA ARG 12 -4.654 1.771 -2.866 112 1HB ARG 12 1HB ARG 12 -2.969 3.874 -1.626 113 2HB ARG 12 2HB ARG 12 -2.319 2.234 -1.570 114 1HG ARG 12 1HG ARG 12 -2.268 2.035 -3.906 115 2HG ARG 12 2HG ARG 12 -3.457 3.317 -4.134 116 1HD ARG 12 1HD ARG 12 -0.916 4.081 -2.786 117 2HD ARG 12 2HD ARG 12 -0.820 3.717 -4.509 118 HE ARG 12 HE ARG 12 -2.916 5.624 -3.628 119 1HH1 ARG 12 1HH1 ARG 12 -1.647 4.999 -6.432 120 2HH1 ARG 12 2HH1 ARG 12 -0.795 6.484 -6.696 121 1HH2 ARG 12 1HH2 ARG 12 -1.066 7.536 -3.405 122 2HH2 ARG 12 2HH2 ARG 12 -0.467 7.921 -4.983 123 H LYS 13 H LYS 13 -4.978 2.991 0.415 124 HA LYS 13 HA LYS 13 -4.013 0.833 1.923 125 1HB LYS 13 1HB LYS 13 -5.622 3.110 2.398 126 2HB LYS 13 2HB LYS 13 -6.536 1.733 3.011 127 1HG LYS 13 1HG LYS 13 -4.746 1.063 4.446 128 2HG LYS 13 2HG LYS 13 -3.613 2.161 3.659 129 1HD LYS 13 1HD LYS 13 -4.758 4.093 4.532 130 2HD LYS 13 2HD LYS 13 -6.088 3.100 5.130 131 1HE LYS 13 1HE LYS 13 -3.442 2.263 6.110 132 2HE LYS 13 2HE LYS 13 -3.922 3.877 6.634 133 1HZ LYS 13 1HZ LYS 13 -5.629 1.461 6.879 134 2HZ LYS 13 2HZ LYS 13 -4.674 2.086 8.134 135 3HZ LYS 13 3HZ LYS 13 -5.954 3.007 7.504 136 H LEU 14 H LEU 14 -6.930 1.066 -0.008 137 HA LEU 14 HA LEU 14 -8.298 -1.197 1.061 138 1HB LEU 14 1HB LEU 14 -8.434 0.429 -1.409 139 2HB LEU 14 2HB LEU 14 -9.040 -1.221 -1.561 140 HG LEU 14 HG LEU 14 -10.784 0.461 -0.850 141 1HD1 LEU 14 1HD1 LEU 14 -10.079 -2.078 0.451 142 2HD1 LEU 14 2HD1 LEU 14 -11.126 -1.055 1.435 143 3HD1 LEU 14 3HD1 LEU 14 -11.631 -1.536 -0.185 144 1HD2 LEU 14 1HD2 LEU 14 -9.052 0.503 1.643 145 2HD2 LEU 14 2HD2 LEU 14 -9.373 1.865 0.571 146 3HD2 LEU 14 3HD2 LEU 14 -10.678 1.181 1.542 147 H LYS 15 H LYS 15 -6.184 -0.938 -1.813 148 HA LYS 15 HA LYS 15 -6.100 -3.598 -2.604 149 1HB LYS 15 1HB LYS 15 -4.154 -1.341 -2.666 150 2HB LYS 15 2HB LYS 15 -3.524 -2.952 -3.004 151 1HG LYS 15 1HG LYS 15 -4.201 -2.468 -5.133 152 2HG LYS 15 2HG LYS 15 -5.768 -3.001 -4.525 153 1HD LYS 15 1HD LYS 15 -5.766 -0.393 -3.720 154 2HD LYS 15 2HD LYS 15 -4.843 -0.279 -5.218 155 1HE LYS 15 1HE LYS 15 -6.631 -0.867 -6.526 156 2HE LYS 15 2HE LYS 15 -7.297 -1.954 -5.307 157 1HZ LYS 15 1HZ LYS 15 -7.434 0.552 -4.196 158 2HZ LYS 15 2HZ LYS 15 -7.911 0.777 -5.812 159 3HZ LYS 15 3HZ LYS 15 -8.726 -0.345 -4.831 160 H LYS 16 H LYS 16 -4.355 -2.081 0.085 161 HA LYS 16 HA LYS 16 -2.614 -4.171 0.776 162 1HB LYS 16 1HB LYS 16 -2.313 -3.047 2.747 163 2HB LYS 16 2HB LYS 16 -3.250 -1.797 1.931 164 1HG LYS 16 1HG LYS 16 -5.325 -2.729 2.923 165 2HG LYS 16 2HG LYS 16 -4.364 -3.939 3.769 166 1HD LYS 16 1HD LYS 16 -3.886 -0.970 4.079 167 2HD LYS 16 2HD LYS 16 -4.973 -1.874 5.132 168 1HE LYS 16 1HE LYS 16 -3.217 -2.566 6.353 169 2HE LYS 16 2HE LYS 16 -2.533 -3.345 4.925 170 1HZ LYS 16 1HZ LYS 16 -2.229 -0.456 5.527 171 2HZ LYS 16 2HZ LYS 16 -1.085 -1.633 5.969 172 3HZ LYS 16 3HZ LYS 16 -1.425 -1.347 4.329 173 H LYS 17 H LYS 17 -6.042 -3.786 1.608 174 HA LYS 17 HA LYS 17 -6.079 -6.403 2.925 175 1HB LYS 17 1HB LYS 17 -7.680 -4.040 3.016 176 2HB LYS 17 2HB LYS 17 -8.714 -5.390 2.549 177 1HG LYS 17 1HG LYS 17 -8.296 -6.568 4.522 178 2HG LYS 17 2HG LYS 17 -6.769 -5.735 4.813 179 1HD LYS 17 1HD LYS 17 -8.936 -3.825 4.751 180 2HD LYS 17 2HD LYS 17 -9.288 -5.102 5.916 181 1HE LYS 17 1HE LYS 17 -7.673 -4.398 7.332 182 2HE LYS 17 2HE LYS 17 -6.503 -4.213 6.026 183 1HZ LYS 17 1HZ LYS 17 -8.675 -2.292 6.667 184 2HZ LYS 17 2HZ LYS 17 -7.043 -2.093 7.077 185 3HZ LYS 17 3HZ LYS 17 -7.511 -2.111 5.445 186 H ILE 18 H ILE 18 -7.936 -4.940 0.212 187 HA ILE 18 HA ILE 18 -9.048 -7.368 -0.683 188 HB ILE 18 HB ILE 18 -10.147 -5.544 -1.533 189 1HG1 ILE 18 1HG1 ILE 18 -8.840 -7.056 -3.387 190 2HG1 ILE 18 2HG1 ILE 18 -10.062 -5.846 -3.764 191 1HG2 ILE 18 1HG2 ILE 18 -7.429 -4.292 -1.631 192 2HG2 ILE 18 2HG2 ILE 18 -8.737 -3.597 -2.587 193 3HG2 ILE 18 3HG2 ILE 18 -8.892 -3.719 -0.834 194 1HD1 ILE 18 1HD1 ILE 18 -7.196 -5.002 -3.467 195 2HD1 ILE 18 2HD1 ILE 18 -7.729 -5.744 -4.975 196 3HD1 ILE 18 3HD1 ILE 18 -8.482 -4.252 -4.412 197 H LYS 19 H LYS 19 -6.229 -5.551 -1.981 198 HA LYS 19 HA LYS 19 -5.494 -7.425 -3.958 199 1HB LYS 19 1HB LYS 19 -4.423 -5.073 -3.063 200 2HB LYS 19 2HB LYS 19 -3.231 -6.231 -2.476 201 1HG LYS 19 1HG LYS 19 -2.771 -7.037 -4.649 202 2HG LYS 19 2HG LYS 19 -4.248 -6.340 -5.313 203 1HD LYS 19 1HD LYS 19 -2.961 -4.599 -5.964 204 2HD LYS 19 2HD LYS 19 -2.932 -4.138 -4.262 205 1HE LYS 19 1HE LYS 19 -0.834 -5.112 -3.898 206 2HE LYS 19 2HE LYS 19 -0.976 -6.173 -5.299 207 1HZ LYS 19 1HZ LYS 19 -1.134 -3.428 -6.038 208 2HZ LYS 19 2HZ LYS 19 0.309 -3.755 -5.204 209 3HZ LYS 19 3HZ LYS 19 -0.085 -4.634 -6.603 210 H LYS 20 H LYS 20 -5.258 -7.625 -0.509 211 HA LYS 20 HA LYS 20 -3.256 -9.719 -0.460 212 1HB LYS 20 1HB LYS 20 -4.129 -8.046 1.434 213 2HB LYS 20 2HB LYS 20 -5.213 -9.395 1.772 214 1HG LYS 20 1HG LYS 20 -2.405 -10.182 1.330 215 2HG LYS 20 2HG LYS 20 -2.661 -9.174 2.756 216 1HD LYS 20 1HD LYS 20 -4.684 -10.802 3.191 217 2HD LYS 20 2HD LYS 20 -3.780 -11.890 2.134 218 1HE LYS 20 1HE LYS 20 -1.920 -10.752 3.963 219 2HE LYS 20 2HE LYS 20 -3.308 -11.304 4.901 220 1HZ LYS 20 1HZ LYS 20 -2.153 -13.023 2.807 221 2HZ LYS 20 2HZ LYS 20 -1.436 -12.960 4.345 222 3HZ LYS 20 3HZ LYS 20 -3.047 -13.462 4.184 223 H LEU 21 H LEU 21 -6.801 -9.586 -0.288 224 HA LEU 21 HA LEU 21 -7.333 -12.307 0.210 225 1HB LEU 21 1HB LEU 21 -9.518 -11.851 -0.458 226 2HB LEU 21 2HB LEU 21 -8.928 -10.239 -0.068 227 HG LEU 21 HG LEU 21 -8.231 -10.175 -2.595 228 1HD1 LEU 21 1HD1 LEU 21 -9.699 -12.679 -2.376 229 2HD1 LEU 21 2HD1 LEU 21 -10.443 -11.591 -3.548 230 3HD1 LEU 21 3HD1 LEU 21 -8.750 -12.057 -3.726 231 1HD2 LEU 21 1HD2 LEU 21 -10.254 -9.084 -1.205 232 2HD2 LEU 21 2HD2 LEU 21 -10.104 -8.888 -2.951 233 3HD2 LEU 21 3HD2 LEU 21 -11.194 -10.108 -2.289 234 H GLU 22 H GLU 22 -6.563 -10.674 -2.826 235 HA GLU 22 HA GLU 22 -7.086 -12.859 -4.572 236 1HB GLU 22 1HB GLU 22 -5.450 -10.368 -4.703 237 2HB GLU 22 2HB GLU 22 -5.113 -11.625 -5.894 238 1HG GLU 22 1HG GLU 22 -7.982 -11.080 -5.469 239 2HG GLU 22 2HG GLU 22 -7.078 -9.736 -6.168 240 H GLU 23 H GLU 23 -4.338 -12.103 -2.514 241 HA GLU 23 HA GLU 23 -2.573 -14.061 -3.702 242 1HB GLU 23 1HB GLU 23 -2.400 -12.048 -1.690 243 2HB GLU 23 2HB GLU 23 -1.891 -13.575 -0.966 244 1HG GLU 23 1HG GLU 23 0.058 -13.506 -2.085 245 2HG GLU 23 2HG GLU 23 -0.794 -13.353 -3.622 246 H ASP 24 H ASP 24 -4.203 -13.999 -0.517 247 HA ASP 24 HA ASP 24 -3.726 -16.752 0.065 248 1HB ASP 24 1HB ASP 24 -4.944 -14.565 1.343 249 2HB ASP 24 2HB ASP 24 -6.206 -15.789 1.219 250 H ASN 25 H ASN 25 -4.278 -17.658 -2.108 251 HA ASN 25 HA ASN 25 -7.179 -17.790 -2.702 252 1HB ASN 25 1HB ASN 25 -5.430 -17.405 -4.508 253 2HB ASN 25 2HB ASN 25 -4.911 -19.071 -4.244 254 1HD2 ASN 25 2HD2 ASN 25 -7.598 -17.066 -5.422 255 2HD2 ASN 25 1HD2 ASN 25 -8.430 -18.334 -6.185 256 HA PRO 26 HA PRO 26 -7.484 -21.755 -0.782 257 1HB PRO 26 1HB PRO 26 -9.938 -22.409 -1.832 258 2HB PRO 26 2HB PRO 26 -9.721 -21.267 -0.500 259 1HG PRO 26 1HG PRO 26 -10.378 -20.711 -3.351 260 2HG PRO 26 2HG PRO 26 -10.760 -19.759 -1.906 261 1HD PRO 26 1HD PRO 26 -8.686 -19.210 -3.746 262 2HD PRO 26 2HD PRO 26 -8.868 -18.485 -2.136 263 H TRP 27 H TRP 27 -8.826 -21.717 -4.083 264 HA TRP 27 HA TRP 27 -8.296 -24.389 -4.770 265 1HB TRP 27 1HB TRP 27 -9.629 -22.989 -6.230 266 2HB TRP 27 2HB TRP 27 -8.263 -21.909 -6.515 267 HD1 TRP 27 HD1 TRP 27 -7.199 -22.324 -8.770 268 HE1 TRP 27 HE1 TRP 27 -6.765 -24.375 -10.270 269 HE3 TRP 27 HE3 TRP 27 -9.281 -25.985 -5.883 270 HZ2 TRP 27 HZ2 TRP 27 -7.238 -27.196 -10.249 271 HZ3 TRP 27 HZ3 TRP 27 -9.276 -28.342 -6.645 272 HH2 TRP 27 HH2 TRP 27 -8.258 -28.953 -8.822 Start of MODEL 15 1 1H ARG 1 1H ARG 1 -5.376 22.307 2.954 2 2H ARG 1 2H ARG 1 -6.128 22.271 4.477 3 3H ARG 1 3H ARG 1 -4.836 21.221 4.139 4 HA ARG 1 HA ARG 1 -6.913 20.018 4.056 5 1HB ARG 1 1HB ARG 1 -8.255 22.066 3.434 6 2HB ARG 1 2HB ARG 1 -7.630 21.901 1.792 7 1HG ARG 1 1HG ARG 1 -8.490 19.352 2.286 8 2HG ARG 1 2HG ARG 1 -9.670 20.295 3.197 9 1HD ARG 1 1HD ARG 1 -10.375 21.486 1.278 10 2HD ARG 1 2HD ARG 1 -8.944 21.017 0.357 11 HE ARG 1 HE ARG 1 -10.132 18.599 0.859 12 1HH1 ARG 1 1HH1 ARG 1 -12.727 20.072 1.150 13 2HH1 ARG 1 2HH1 ARG 1 -13.329 20.070 -0.474 14 1HH2 ARG 1 1HH2 ARG 1 -10.268 19.259 -1.887 15 2HH2 ARG 1 2HH2 ARG 1 -11.938 19.608 -2.194 16 H LYS 2 H LYS 2 -4.520 19.246 3.332 17 HA LYS 2 HA LYS 2 -4.262 18.888 0.432 18 1HB LYS 2 1HB LYS 2 -2.409 19.028 2.374 19 2HB LYS 2 2HB LYS 2 -2.623 17.278 2.329 20 1HG LYS 2 1HG LYS 2 -0.833 18.063 0.774 21 2HG LYS 2 2HG LYS 2 -2.149 17.240 -0.065 22 1HD LYS 2 1HD LYS 2 -3.010 19.229 -0.945 23 2HD LYS 2 2HD LYS 2 -2.239 20.225 0.290 24 1HE LYS 2 1HE LYS 2 -0.417 20.504 -0.996 25 2HE LYS 2 2HE LYS 2 -0.235 18.761 -1.190 26 1HZ LYS 2 1HZ LYS 2 -2.430 19.623 -2.711 27 2HZ LYS 2 2HZ LYS 2 -1.104 20.618 -3.080 28 3HZ LYS 2 3HZ LYS 2 -0.978 18.932 -3.251 29 H LYS 3 H LYS 3 -6.638 17.830 0.836 30 HA LYS 3 HA LYS 3 -6.467 15.023 1.569 31 1HB LYS 3 1HB LYS 3 -8.667 16.844 0.642 32 2HB LYS 3 2HB LYS 3 -8.912 15.097 0.650 33 1HG LYS 3 1HG LYS 3 -8.519 14.967 3.013 34 2HG LYS 3 2HG LYS 3 -7.936 16.630 3.069 35 1HD LYS 3 1HD LYS 3 -10.060 17.166 3.650 36 2HD LYS 3 2HD LYS 3 -10.437 16.922 1.945 37 1HE LYS 3 1HE LYS 3 -11.165 14.687 2.318 38 2HE LYS 3 2HE LYS 3 -10.451 14.643 3.929 39 1HZ LYS 3 1HZ LYS 3 -12.029 16.376 4.602 40 2HZ LYS 3 2HZ LYS 3 -12.748 16.315 3.064 41 3HZ LYS 3 3HZ LYS 3 -12.816 14.963 4.091 42 H LEU 4 H LEU 4 -5.152 16.379 -0.852 43 HA LEU 4 HA LEU 4 -6.265 14.784 -3.051 44 1HB LEU 4 1HB LEU 4 -5.517 17.124 -3.472 45 2HB LEU 4 2HB LEU 4 -3.875 16.650 -3.032 46 HG LEU 4 HG LEU 4 -4.425 16.655 -5.538 47 1HD1 LEU 4 1HD1 LEU 4 -2.646 15.230 -4.126 48 2HD1 LEU 4 2HD1 LEU 4 -3.609 13.894 -4.759 49 3HD1 LEU 4 3HD1 LEU 4 -2.831 15.024 -5.867 50 1HD2 LEU 4 1HD2 LEU 4 -6.680 15.577 -5.211 51 2HD2 LEU 4 2HD2 LEU 4 -5.666 14.749 -6.394 52 3HD2 LEU 4 3HD2 LEU 4 -5.848 14.086 -4.770 53 H GLU 5 H GLU 5 -2.970 15.299 -1.750 54 HA GLU 5 HA GLU 5 -2.004 12.794 -2.760 55 1HB GLU 5 1HB GLU 5 -0.930 14.579 -0.556 56 2HB GLU 5 2HB GLU 5 -0.034 13.288 -1.356 57 1HG GLU 5 1HG GLU 5 -0.505 14.506 -3.550 58 2HG GLU 5 2HG GLU 5 -1.047 15.865 -2.563 59 H GLU 6 H GLU 6 -3.439 13.903 0.251 60 HA GLU 6 HA GLU 6 -2.859 11.635 1.872 61 1HB GLU 6 1HB GLU 6 -4.504 13.997 2.018 62 2HB GLU 6 2HB GLU 6 -5.440 12.601 2.556 63 1HG GLU 6 1HG GLU 6 -2.760 12.445 3.613 64 2HG GLU 6 2HG GLU 6 -3.473 14.007 4.018 65 H LEU 7 H LEU 7 -5.669 12.371 -0.204 66 HA LEU 7 HA LEU 7 -7.064 9.942 0.291 67 1HB LEU 7 1HB LEU 7 -7.124 12.046 -1.828 68 2HB LEU 7 2HB LEU 7 -7.954 10.522 -2.145 69 HG LEU 7 HG LEU 7 -9.232 12.487 -0.941 70 1HD1 LEU 7 1HD1 LEU 7 -9.234 9.569 -0.154 71 2HD1 LEU 7 2HD1 LEU 7 -10.445 10.703 0.441 72 3HD1 LEU 7 3HD1 LEU 7 -10.308 10.387 -1.288 73 1HD2 LEU 7 1HD2 LEU 7 -7.352 12.629 0.799 74 2HD2 LEU 7 2HD2 LEU 7 -8.993 12.545 1.439 75 3HD2 LEU 7 3HD2 LEU 7 -7.971 11.107 1.442 76 H GLU 8 H GLU 8 -4.888 10.826 -2.421 77 HA GLU 8 HA GLU 8 -4.918 8.487 -3.898 78 1HB GLU 8 1HB GLU 8 -2.457 10.056 -3.054 79 2HB GLU 8 2HB GLU 8 -2.497 8.883 -4.371 80 1HG GLU 8 1HG GLU 8 -4.212 11.382 -4.210 81 2HG GLU 8 2HG GLU 8 -2.765 11.206 -5.204 82 H ARG 9 H ARG 9 -3.480 9.031 -0.746 83 HA ARG 9 HA ARG 9 -2.174 6.457 -0.577 84 1HB ARG 9 1HB ARG 9 -2.821 8.682 1.322 85 2HB ARG 9 2HB ARG 9 -2.375 7.109 1.985 86 1HG ARG 9 1HG ARG 9 -0.230 7.171 1.036 87 2HG ARG 9 2HG ARG 9 -0.696 8.371 -0.171 88 1HD ARG 9 1HD ARG 9 -1.077 9.975 1.790 89 2HD ARG 9 2HD ARG 9 -0.228 8.794 2.786 90 HE ARG 9 HE ARG 9 1.747 9.128 1.282 91 1HH1 ARG 9 1HH2 ARG 9 0.806 11.716 2.739 92 2HH1 ARG 9 2HH2 ARG 9 1.029 12.872 1.467 93 1HH2 ARG 9 1HH1 ARG 9 1.331 10.476 -1.020 94 2HH2 ARG 9 2HH1 ARG 9 1.326 12.170 -0.659 95 H ASP 10 H ASP 10 -5.243 7.814 0.602 96 HA ASP 10 HA ASP 10 -6.158 5.559 2.040 97 1HB ASP 10 1HB ASP 10 -7.246 8.036 1.102 98 2HB ASP 10 2HB ASP 10 -8.390 6.747 0.730 99 H LEU 11 H LEU 11 -5.918 6.061 -1.409 100 HA LEU 11 HA LEU 11 -7.832 4.027 -2.135 101 1HB LEU 11 1HB LEU 11 -7.267 4.515 -4.320 102 2HB LEU 11 2HB LEU 11 -6.693 5.990 -3.545 103 HG LEU 11 HG LEU 11 -4.457 4.628 -3.261 104 1HD1 LEU 11 1HD1 LEU 11 -6.000 3.113 -5.354 105 2HD1 LEU 11 2HD1 LEU 11 -4.244 3.212 -5.451 106 3HD1 LEU 11 3HD1 LEU 11 -5.009 2.482 -4.042 107 1HD2 LEU 11 1HD2 LEU 11 -5.546 6.345 -5.319 108 2HD2 LEU 11 2HD2 LEU 11 -3.906 6.291 -4.677 109 3HD2 LEU 11 3HD2 LEU 11 -4.364 5.234 -6.011 110 H ARG 12 H ARG 12 -4.357 4.120 -1.560 111 HA ARG 12 HA ARG 12 -3.852 1.417 -2.393 112 1HB ARG 12 1HB ARG 12 -1.712 2.056 -2.065 113 2HB ARG 12 2HB ARG 12 -2.333 3.632 -1.582 114 1HG ARG 12 1HG ARG 12 -2.498 2.869 0.750 115 2HG ARG 12 2HG ARG 12 -1.905 1.276 0.280 116 1HD ARG 12 1HD ARG 12 0.226 2.213 -0.407 117 2HD ARG 12 2HD ARG 12 -0.362 3.852 -0.130 118 HE ARG 12 HE ARG 12 0.873 2.377 1.856 119 1HH1 ARG 12 1HH1 ARG 12 -1.733 1.361 2.739 120 2HH1 ARG 12 2HH1 ARG 12 -2.311 2.607 3.794 121 1HH2 ARG 12 1HH2 ARG 12 -0.097 4.998 2.612 122 2HH2 ARG 12 2HH2 ARG 12 -1.383 4.666 3.723 123 H LYS 13 H LYS 13 -4.895 2.926 0.597 124 HA LYS 13 HA LYS 13 -4.351 0.839 2.424 125 1HB LYS 13 1HB LYS 13 -5.477 3.252 2.698 126 2HB LYS 13 2HB LYS 13 -6.953 2.285 2.655 127 1HG LYS 13 1HG LYS 13 -6.359 1.063 4.576 128 2HG LYS 13 2HG LYS 13 -4.652 1.485 4.426 129 1HD LYS 13 1HD LYS 13 -5.131 3.803 5.019 130 2HD LYS 13 2HD LYS 13 -6.860 3.461 5.066 131 1HE LYS 13 1HE LYS 13 -5.677 3.475 7.327 132 2HE LYS 13 2HE LYS 13 -6.621 2.029 6.966 133 1HZ LYS 13 1HZ LYS 13 -3.724 2.237 6.385 134 2HZ LYS 13 2HZ LYS 13 -4.321 1.647 7.861 135 3HZ LYS 13 3HZ LYS 13 -4.685 0.839 6.412 136 H LEU 14 H LEU 14 -6.713 1.075 -0.118 137 HA LEU 14 HA LEU 14 -8.329 -1.132 0.895 138 1HB LEU 14 1HB LEU 14 -8.481 0.813 -1.292 139 2HB LEU 14 2HB LEU 14 -9.006 -0.804 -1.767 140 HG LEU 14 HG LEU 14 -9.979 0.228 0.856 141 1HD1 LEU 14 1HD1 LEU 14 -10.689 1.370 -1.827 142 2HD1 LEU 14 2HD1 LEU 14 -11.947 1.211 -0.602 143 3HD1 LEU 14 3HD1 LEU 14 -10.519 2.191 -0.276 144 1HD2 LEU 14 1HD2 LEU 14 -10.437 -2.036 -0.490 145 2HD2 LEU 14 2HD2 LEU 14 -11.696 -1.278 0.485 146 3HD2 LEU 14 3HD2 LEU 14 -11.670 -1.037 -1.261 147 H LYS 15 H LYS 15 -6.728 -0.759 -2.269 148 HA LYS 15 HA LYS 15 -6.561 -3.373 -3.077 149 1HB LYS 15 1HB LYS 15 -5.646 -1.585 -4.444 150 2HB LYS 15 2HB LYS 15 -4.372 -1.284 -3.261 151 1HG LYS 15 1HG LYS 15 -3.373 -3.437 -3.675 152 2HG LYS 15 2HG LYS 15 -4.739 -3.939 -4.672 153 1HD LYS 15 1HD LYS 15 -3.575 -3.171 -6.447 154 2HD LYS 15 2HD LYS 15 -3.899 -1.548 -5.837 155 1HE LYS 15 1HE LYS 15 -1.821 -1.997 -4.303 156 2HE LYS 15 2HE LYS 15 -1.436 -3.239 -5.495 157 1HZ LYS 15 1HZ LYS 15 -2.142 -0.540 -6.414 158 2HZ LYS 15 2HZ LYS 15 -0.585 -0.816 -5.801 159 3HZ LYS 15 3HZ LYS 15 -1.137 -1.699 -7.143 160 H LYS 16 H LYS 16 -4.845 -1.929 -0.412 161 HA LYS 16 HA LYS 16 -2.782 -3.869 -0.096 162 1HB LYS 16 1HB LYS 16 -4.071 -1.812 1.583 163 2HB LYS 16 2HB LYS 16 -3.380 -3.163 2.481 164 1HG LYS 16 1HG LYS 16 -1.707 -2.053 0.291 165 2HG LYS 16 2HG LYS 16 -1.920 -1.023 1.707 166 1HD LYS 16 1HD LYS 16 -0.086 -2.267 2.389 167 2HD LYS 16 2HD LYS 16 -1.394 -3.279 3.008 168 1HE LYS 16 1HE LYS 16 0.138 -4.723 1.826 169 2HE LYS 16 2HE LYS 16 -1.311 -4.563 0.835 170 1HZ LYS 16 1HZ LYS 16 0.153 -2.500 -0.025 171 2HZ LYS 16 2HZ LYS 16 1.378 -3.613 0.345 172 3HZ LYS 16 3HZ LYS 16 0.154 -4.035 -0.756 173 H LYS 17 H LYS 17 -6.011 -3.701 1.441 174 HA LYS 17 HA LYS 17 -5.732 -6.403 2.494 175 1HB LYS 17 1HB LYS 17 -7.306 -4.159 3.107 176 2HB LYS 17 2HB LYS 17 -8.442 -5.380 2.534 177 1HG LYS 17 1HG LYS 17 -8.296 -6.390 4.538 178 2HG LYS 17 2HG LYS 17 -6.602 -6.742 4.191 179 1HD LYS 17 1HD LYS 17 -6.654 -5.526 6.268 180 2HD LYS 17 2HD LYS 17 -6.049 -4.419 5.035 181 1HE LYS 17 1HE LYS 17 -7.873 -3.070 5.177 182 2HE LYS 17 2HE LYS 17 -8.983 -4.432 5.317 183 1HZ LYS 17 1HZ LYS 17 -8.200 -4.706 7.631 184 2HZ LYS 17 2HZ LYS 17 -7.298 -3.275 7.468 185 3HZ LYS 17 3HZ LYS 17 -8.990 -3.227 7.361 186 H ILE 18 H ILE 18 -7.796 -4.829 0.025 187 HA ILE 18 HA ILE 18 -9.227 -7.103 -0.783 188 HB ILE 18 HB ILE 18 -10.096 -5.242 -1.784 189 1HG1 ILE 18 1HG1 ILE 18 -7.954 -6.065 -3.755 190 2HG1 ILE 18 2HG1 ILE 18 -9.628 -6.623 -3.709 191 1HG2 ILE 18 1HG2 ILE 18 -7.277 -4.270 -1.668 192 2HG2 ILE 18 2HG2 ILE 18 -8.399 -3.463 -2.761 193 3HG2 ILE 18 3HG2 ILE 18 -8.745 -3.526 -1.034 194 1HD1 ILE 18 1HD1 ILE 18 -8.785 -3.744 -4.162 195 2HD1 ILE 18 2HD1 ILE 18 -9.245 -4.861 -5.447 196 3HD1 ILE 18 3HD1 ILE 18 -10.430 -4.377 -4.235 197 H LYS 19 H LYS 19 -6.192 -5.785 -2.133 198 HA LYS 19 HA LYS 19 -5.799 -7.979 -3.946 199 1HB LYS 19 1HB LYS 19 -4.642 -5.569 -3.746 200 2HB LYS 19 2HB LYS 19 -3.440 -6.508 -2.859 201 1HG LYS 19 1HG LYS 19 -3.538 -8.150 -4.857 202 2HG LYS 19 2HG LYS 19 -4.331 -6.833 -5.722 203 1HD LYS 19 1HD LYS 19 -2.404 -5.660 -5.931 204 2HD LYS 19 2HD LYS 19 -1.927 -5.984 -4.263 205 1HE LYS 19 1HE LYS 19 -0.378 -7.389 -5.117 206 2HE LYS 19 2HE LYS 19 -1.719 -8.470 -5.495 207 1HZ LYS 19 1HZ LYS 19 -1.802 -6.710 -7.529 208 2HZ LYS 19 2HZ LYS 19 -0.130 -6.822 -7.248 209 3HZ LYS 19 3HZ LYS 19 -1.033 -8.220 -7.592 210 H LYS 20 H LYS 20 -5.463 -7.678 -0.570 211 HA LYS 20 HA LYS 20 -3.366 -9.651 -0.233 212 1HB LYS 20 1HB LYS 20 -4.899 -7.868 1.447 213 2HB LYS 20 2HB LYS 20 -4.872 -9.488 2.142 214 1HG LYS 20 1HG LYS 20 -2.256 -8.973 1.171 215 2HG LYS 20 2HG LYS 20 -2.760 -7.539 2.070 216 1HD LYS 20 1HD LYS 20 -3.140 -10.322 3.180 217 2HD LYS 20 2HD LYS 20 -1.643 -9.421 3.425 218 1HE LYS 20 1HE LYS 20 -2.607 -8.297 5.117 219 2HE LYS 20 2HE LYS 20 -3.807 -7.656 3.995 220 1HZ LYS 20 1HZ LYS 20 -5.027 -9.795 4.292 221 2HZ LYS 20 2HZ LYS 20 -3.952 -10.180 5.545 222 3HZ LYS 20 3HZ LYS 20 -4.962 -8.821 5.682 223 H LEU 21 H LEU 21 -6.914 -9.683 0.334 224 HA LEU 21 HA LEU 21 -7.113 -12.404 1.041 225 1HB LEU 21 1HB LEU 21 -9.447 -12.203 0.550 226 2HB LEU 21 2HB LEU 21 -8.919 -10.638 1.159 227 HG LEU 21 HG LEU 21 -8.491 -10.191 -1.435 228 1HD1 LEU 21 1HD1 LEU 21 -10.559 -12.390 -1.302 229 2HD1 LEU 21 2HD1 LEU 21 -10.518 -11.235 -2.635 230 3HD1 LEU 21 3HD1 LEU 21 -9.137 -12.293 -2.341 231 1HD2 LEU 21 1HD2 LEU 21 -11.146 -10.082 0.018 232 2HD2 LEU 21 2HD2 LEU 21 -9.927 -8.811 -0.062 233 3HD2 LEU 21 3HD2 LEU 21 -10.833 -9.256 -1.508 234 H GLU 22 H GLU 22 -7.018 -10.879 -2.141 235 HA GLU 22 HA GLU 22 -7.643 -13.211 -3.666 236 1HB GLU 22 1HB GLU 22 -5.853 -10.909 -4.491 237 2HB GLU 22 2HB GLU 22 -6.721 -12.010 -5.564 238 1HG GLU 22 1HG GLU 22 -8.427 -10.673 -3.565 239 2HG GLU 22 2HG GLU 22 -7.684 -9.581 -4.734 240 H GLU 23 H GLU 23 -4.571 -11.923 -2.442 241 HA GLU 23 HA GLU 23 -2.880 -13.793 -3.791 242 1HB GLU 23 1HB GLU 23 -2.621 -11.840 -1.599 243 2HB GLU 23 2HB GLU 23 -1.522 -13.215 -1.479 244 1HG GLU 23 1HG GLU 23 -1.299 -12.632 -4.130 245 2HG GLU 23 2HG GLU 23 -1.588 -11.024 -3.466 246 H ASP 24 H ASP 24 -1.384 -15.083 -1.883 247 HA ASP 24 HA ASP 24 -1.376 -16.873 -0.347 248 1HB ASP 24 1HB ASP 24 -3.327 -15.458 0.686 249 2HB ASP 24 2HB ASP 24 -4.362 -16.671 -0.067 250 H ASN 25 H ASN 25 -4.308 -16.852 -2.410 251 HA ASN 25 HA ASN 25 -4.331 -19.717 -2.728 252 1HB ASN 25 1HB ASN 25 -5.682 -17.402 -4.092 253 2HB ASN 25 2HB ASN 25 -5.792 -19.016 -4.796 254 1HD2 ASN 25 2HD2 ASN 25 -7.923 -17.341 -3.406 255 2HD2 ASN 25 1HD2 ASN 25 -8.514 -18.339 -2.166 256 HA PRO 26 HA PRO 26 -1.156 -20.017 -5.776 257 1HB PRO 26 1HB PRO 26 -1.692 -22.609 -6.520 258 2HB PRO 26 2HB PRO 26 -0.857 -22.177 -5.019 259 1HG PRO 26 1HG PRO 26 -3.661 -23.123 -5.403 260 2HG PRO 26 2HG PRO 26 -2.604 -23.288 -3.991 261 1HD PRO 26 1HD PRO 26 -4.696 -21.404 -4.278 262 2HD PRO 26 2HD PRO 26 -3.420 -21.364 -3.042 263 H TRP 27 H TRP 27 -3.808 -22.056 -7.001 264 HA TRP 27 HA TRP 27 -3.902 -20.307 -9.429 265 1HB TRP 27 1HB TRP 27 -3.039 -22.849 -9.456 266 2HB TRP 27 2HB TRP 27 -4.771 -23.155 -9.590 267 HD1 TRP 27 HD1 TRP 27 -5.333 -23.488 -12.042 268 HE1 TRP 27 HE1 TRP 27 -4.732 -22.306 -14.253 269 HE3 TRP 27 HE3 TRP 27 -2.019 -20.015 -10.307 270 HZ2 TRP 27 HZ2 TRP 27 -3.062 -20.167 -15.164 271 HZ3 TRP 27 HZ3 TRP 27 -0.939 -18.419 -11.864 272 HH2 TRP 27 HH2 TRP 27 -1.456 -18.490 -14.289 Start of MODEL 16 1 1H ARG 1 1H ARG 1 -4.146 20.738 4.357 2 2H ARG 1 2H ARG 1 -3.774 22.026 3.316 3 3H ARG 1 3H ARG 1 -5.033 22.184 4.446 4 HA ARG 1 HA ARG 1 -6.358 20.563 3.317 5 1HB ARG 1 1HB ARG 1 -5.137 22.564 1.389 6 2HB ARG 1 2HB ARG 1 -6.685 21.747 1.173 7 1HG ARG 1 1HG ARG 1 -7.623 23.460 2.301 8 2HG ARG 1 2HG ARG 1 -6.832 22.830 3.745 9 1HD ARG 1 1HD ARG 1 -6.363 25.285 3.178 10 2HD ARG 1 2HD ARG 1 -4.952 24.268 3.469 11 HE ARG 1 HE ARG 1 -5.818 24.544 0.656 12 1HH1 ARG 1 1HH1 ARG 1 -3.080 23.723 1.879 13 2HH1 ARG 1 2HH1 ARG 1 -2.130 25.107 1.447 14 1HH2 ARG 1 1HH2 ARG 1 -4.874 27.079 0.673 15 2HH2 ARG 1 2HH2 ARG 1 -3.147 27.005 0.765 16 H LYS 2 H LYS 2 -4.074 19.025 3.561 17 HA LYS 2 HA LYS 2 -3.085 18.346 0.878 18 1HB LYS 2 1HB LYS 2 -1.969 18.139 3.355 19 2HB LYS 2 2HB LYS 2 -2.559 16.492 3.124 20 1HG LYS 2 1HG LYS 2 -0.850 16.059 1.728 21 2HG LYS 2 2HG LYS 2 -1.365 17.378 0.675 22 1HD LYS 2 1HD LYS 2 -0.207 18.761 2.733 23 2HD LYS 2 2HD LYS 2 0.795 17.311 2.683 24 1HE LYS 2 1HE LYS 2 0.392 18.055 -0.008 25 2HE LYS 2 2HE LYS 2 0.761 19.549 0.855 26 1HZ LYS 2 1HZ LYS 2 2.355 17.066 1.141 27 2HZ LYS 2 2HZ LYS 2 2.731 18.292 0.026 28 3HZ LYS 2 3HZ LYS 2 2.754 18.625 1.689 29 H LYS 3 H LYS 3 -5.828 18.044 0.876 30 HA LYS 3 HA LYS 3 -6.498 15.293 1.498 31 1HB LYS 3 1HB LYS 3 -8.684 15.908 1.147 32 2HB LYS 3 2HB LYS 3 -8.005 17.518 1.381 33 1HG LYS 3 1HG LYS 3 -7.545 17.388 -1.207 34 2HG LYS 3 2HG LYS 3 -8.809 16.158 -1.173 35 1HD LYS 3 1HD LYS 3 -10.299 17.784 0.003 36 2HD LYS 3 2HD LYS 3 -9.049 19.015 -0.184 37 1HE LYS 3 1HE LYS 3 -9.858 17.537 -2.639 38 2HE LYS 3 2HE LYS 3 -11.019 18.692 -1.986 39 1HZ LYS 3 1HZ LYS 3 -9.177 20.338 -1.937 40 2HZ LYS 3 2HZ LYS 3 -8.213 19.221 -2.782 41 3HZ LYS 3 3HZ LYS 3 -9.620 19.839 -3.501 42 H LEU 4 H LEU 4 -4.485 16.235 -0.622 43 HA LEU 4 HA LEU 4 -5.590 14.948 -3.018 44 1HB LEU 4 1HB LEU 4 -4.017 17.058 -2.936 45 2HB LEU 4 2HB LEU 4 -2.736 15.851 -2.788 46 HG LEU 4 HG LEU 4 -3.032 16.315 -5.142 47 1HD1 LEU 4 1HD1 LEU 4 -2.774 13.910 -4.355 48 2HD1 LEU 4 2HD1 LEU 4 -4.517 13.739 -4.561 49 3HD1 LEU 4 3HD1 LEU 4 -3.496 14.098 -5.953 50 1HD2 LEU 4 1HD2 LEU 4 -5.451 17.155 -4.709 51 2HD2 LEU 4 2HD2 LEU 4 -5.132 16.335 -6.239 52 3HD2 LEU 4 3HD2 LEU 4 -5.923 15.469 -4.922 53 H GLU 5 H GLU 5 -2.449 14.635 -1.357 54 HA GLU 5 HA GLU 5 -2.039 11.936 -2.182 55 1HB GLU 5 1HB GLU 5 -0.911 13.454 0.188 56 2HB GLU 5 2HB GLU 5 -0.245 11.966 -0.488 57 1HG GLU 5 1HG GLU 5 -0.139 13.260 -2.722 58 2HG GLU 5 2HG GLU 5 -0.359 14.707 -1.738 59 H GLU 6 H GLU 6 -3.728 13.434 0.478 60 HA GLU 6 HA GLU 6 -3.905 11.289 2.299 61 1HB GLU 6 1HB GLU 6 -5.319 13.774 1.782 62 2HB GLU 6 2HB GLU 6 -6.443 12.505 2.272 63 1HG GLU 6 1HG GLU 6 -3.878 13.108 3.762 64 2HG GLU 6 2HG GLU 6 -5.434 13.825 4.185 65 H LEU 7 H LEU 7 -6.347 12.155 -0.176 66 HA LEU 7 HA LEU 7 -7.708 9.649 0.023 67 1HB LEU 7 1HB LEU 7 -7.749 11.972 -1.852 68 2HB LEU 7 2HB LEU 7 -8.499 10.465 -2.381 69 HG LEU 7 HG LEU 7 -9.904 12.241 -1.023 70 1HD1 LEU 7 1HD1 LEU 7 -9.908 9.332 -1.212 71 2HD1 LEU 7 2HD1 LEU 7 -10.694 9.888 0.265 72 3HD1 LEU 7 3HD1 LEU 7 -11.264 10.457 -1.303 73 1HD2 LEU 7 1HD2 LEU 7 -8.099 12.175 0.821 74 2HD2 LEU 7 2HD2 LEU 7 -9.778 12.040 1.345 75 3HD2 LEU 7 3HD2 LEU 7 -8.767 10.599 1.247 76 H GLU 8 H GLU 8 -5.494 10.894 -2.534 77 HA GLU 8 HA GLU 8 -5.377 8.640 -4.155 78 1HB GLU 8 1HB GLU 8 -3.467 9.555 -5.041 79 2HB GLU 8 2HB GLU 8 -3.916 10.931 -4.036 80 1HG GLU 8 1HG GLU 8 -2.471 10.117 -2.228 81 2HG GLU 8 2HG GLU 8 -2.060 8.689 -3.178 82 H ARG 9 H ARG 9 -4.032 9.091 -0.962 83 HA ARG 9 HA ARG 9 -2.581 6.570 -0.970 84 1HB ARG 9 1HB ARG 9 -3.178 8.724 1.023 85 2HB ARG 9 2HB ARG 9 -2.674 7.141 1.619 86 1HG ARG 9 1HG ARG 9 -0.778 7.373 -0.186 87 2HG ARG 9 2HG ARG 9 -1.149 9.096 -0.078 88 1HD ARG 9 1HD ARG 9 0.154 9.186 1.758 89 2HD ARG 9 2HD ARG 9 -1.045 8.189 2.582 90 HE ARG 9 HE ARG 9 1.011 6.788 0.970 91 1HH1 ARG 9 1HH1 ARG 9 0.998 8.335 3.907 92 2HH1 ARG 9 2HH1 ARG 9 1.318 6.931 4.869 93 1HH2 ARG 9 1HH2 ARG 9 0.869 4.708 2.246 94 2HH2 ARG 9 2HH2 ARG 9 1.246 4.876 3.927 95 H ASP 10 H ASP 10 -5.617 7.836 0.353 96 HA ASP 10 HA ASP 10 -6.464 5.574 1.798 97 1HB ASP 10 1HB ASP 10 -7.864 7.807 0.380 98 2HB ASP 10 2HB ASP 10 -8.828 6.436 0.930 99 H LEU 11 H LEU 11 -6.467 6.163 -1.687 100 HA LEU 11 HA LEU 11 -8.172 3.938 -2.340 101 1HB LEU 11 1HB LEU 11 -7.752 4.488 -4.550 102 2HB LEU 11 2HB LEU 11 -7.338 6.016 -3.777 103 HG LEU 11 HG LEU 11 -4.939 5.003 -3.606 104 1HD1 LEU 11 1HD1 LEU 11 -6.393 3.005 -5.181 105 2HD1 LEU 11 2HD1 LEU 11 -4.943 3.592 -5.993 106 3HD1 LEU 11 3HD1 LEU 11 -4.825 2.879 -4.384 107 1HD2 LEU 11 1HD2 LEU 11 -6.243 6.643 -5.452 108 2HD2 LEU 11 2HD2 LEU 11 -4.497 6.459 -5.277 109 3HD2 LEU 11 3HD2 LEU 11 -5.374 5.478 -6.452 110 H ARG 12 H ARG 12 -4.699 4.368 -1.921 111 HA ARG 12 HA ARG 12 -3.976 1.724 -2.807 112 1HB ARG 12 1HB ARG 12 -2.660 4.073 -1.627 113 2HB ARG 12 2HB ARG 12 -1.963 2.539 -1.107 114 1HG ARG 12 1HG ARG 12 -2.554 2.577 -3.969 115 2HG ARG 12 2HG ARG 12 -1.412 3.839 -3.501 116 1HD ARG 12 1HD ARG 12 -0.454 1.729 -2.068 117 2HD ARG 12 2HD ARG 12 -1.084 0.901 -3.490 118 HE ARG 12 HE ARG 12 0.337 2.642 -4.798 119 1HH1 ARG 12 1HH1 ARG 12 1.395 0.362 -2.666 120 2HH1 ARG 12 2HH1 ARG 12 2.938 1.082 -2.345 121 1HH2 ARG 12 1HH2 ARG 12 2.181 4.061 -3.948 122 2HH2 ARG 12 2HH2 ARG 12 3.382 3.174 -3.070 123 H LYS 13 H LYS 13 -4.930 3.172 0.246 124 HA LYS 13 HA LYS 13 -4.082 1.192 2.064 125 1HB LYS 13 1HB LYS 13 -5.732 3.467 2.139 126 2HB LYS 13 2HB LYS 13 -6.753 2.142 2.696 127 1HG LYS 13 1HG LYS 13 -5.119 1.525 4.388 128 2HG LYS 13 2HG LYS 13 -3.984 2.730 3.776 129 1HD LYS 13 1HD LYS 13 -4.915 4.259 5.136 130 2HD LYS 13 2HD LYS 13 -6.433 4.081 4.256 131 1HE LYS 13 1HE LYS 13 -6.154 1.819 5.974 132 2HE LYS 13 2HE LYS 13 -5.839 3.265 6.932 133 1HZ LYS 13 1HZ LYS 13 -8.124 3.253 5.090 134 2HZ LYS 13 2HZ LYS 13 -8.262 2.424 6.567 135 3HZ LYS 13 3HZ LYS 13 -7.922 4.086 6.556 136 H LEU 14 H LEU 14 -6.779 1.184 -0.199 137 HA LEU 14 HA LEU 14 -8.035 -1.156 0.952 138 1HB LEU 14 1HB LEU 14 -8.529 0.671 -1.272 139 2HB LEU 14 2HB LEU 14 -8.879 -1.007 -1.691 140 HG LEU 14 HG LEU 14 -10.035 -0.975 0.718 141 1HD1 LEU 14 1HD1 LEU 14 -10.230 1.892 -0.256 142 2HD1 LEU 14 2HD1 LEU 14 -11.138 1.206 1.091 143 3HD1 LEU 14 3HD1 LEU 14 -9.384 1.353 1.195 144 1HD2 LEU 14 1HD2 LEU 14 -10.913 -0.517 -2.025 145 2HD2 LEU 14 2HD2 LEU 14 -11.663 -1.494 -0.763 146 3HD2 LEU 14 3HD2 LEU 14 -12.003 0.233 -0.859 147 H LYS 15 H LYS 15 -6.537 -0.742 -2.267 148 HA LYS 15 HA LYS 15 -6.254 -3.330 -3.081 149 1HB LYS 15 1HB LYS 15 -4.790 -0.877 -3.553 150 2HB LYS 15 2HB LYS 15 -3.694 -2.258 -3.566 151 1HG LYS 15 1HG LYS 15 -6.116 -2.945 -4.967 152 2HG LYS 15 2HG LYS 15 -5.459 -1.447 -5.627 153 1HD LYS 15 1HD LYS 15 -3.852 -3.982 -5.195 154 2HD LYS 15 2HD LYS 15 -4.527 -3.477 -6.744 155 1HE LYS 15 1HE LYS 15 -3.205 -1.417 -6.683 156 2HE LYS 15 2HE LYS 15 -2.574 -1.847 -5.094 157 1HZ LYS 15 1HZ LYS 15 -2.262 -3.821 -7.214 158 2HZ LYS 15 2HZ LYS 15 -1.305 -2.425 -7.329 159 3HZ LYS 15 3HZ LYS 15 -1.208 -3.408 -5.947 160 H LYS 16 H LYS 16 -4.560 -1.827 -0.425 161 HA LYS 16 HA LYS 16 -2.502 -3.772 -0.075 162 1HB LYS 16 1HB LYS 16 -3.662 -1.585 1.465 163 2HB LYS 16 2HB LYS 16 -3.223 -2.949 2.497 164 1HG LYS 16 1HG LYS 16 -1.126 -2.590 0.593 165 2HG LYS 16 2HG LYS 16 -1.491 -1.014 1.296 166 1HD LYS 16 1HD LYS 16 -1.523 -2.408 3.557 167 2HD LYS 16 2HD LYS 16 -0.487 -3.496 2.632 168 1HE LYS 16 1HE LYS 16 0.105 -0.559 2.575 169 2HE LYS 16 2HE LYS 16 0.566 -1.490 4.001 170 1HZ LYS 16 1HZ LYS 16 1.415 -3.087 2.039 171 2HZ LYS 16 2HZ LYS 16 1.637 -1.567 1.312 172 3HZ LYS 16 3HZ LYS 16 2.389 -1.921 2.794 173 H LYS 17 H LYS 17 -5.703 -3.529 1.498 174 HA LYS 17 HA LYS 17 -5.459 -6.193 2.634 175 1HB LYS 17 1HB LYS 17 -7.535 -4.037 2.632 176 2HB LYS 17 2HB LYS 17 -8.008 -5.672 3.092 177 1HG LYS 17 1HG LYS 17 -5.679 -4.172 4.323 178 2HG LYS 17 2HG LYS 17 -7.290 -4.262 5.040 179 1HD LYS 17 1HD LYS 17 -6.289 -6.892 4.267 180 2HD LYS 17 2HD LYS 17 -5.227 -6.093 5.426 181 1HE LYS 17 1HE LYS 17 -7.609 -5.519 6.554 182 2HE LYS 17 2HE LYS 17 -8.026 -7.039 5.764 183 1HZ LYS 17 1HZ LYS 17 -5.670 -7.658 6.837 184 2HZ LYS 17 2HZ LYS 17 -6.228 -6.536 7.984 185 3HZ LYS 17 3HZ LYS 17 -7.153 -7.912 7.625 186 H ILE 18 H ILE 18 -7.492 -4.724 0.068 187 HA ILE 18 HA ILE 18 -8.937 -7.025 -0.632 188 HB ILE 18 HB ILE 18 -9.783 -5.222 -1.742 189 1HG1 ILE 18 1HG1 ILE 18 -7.625 -6.165 -3.640 190 2HG1 ILE 18 2HG1 ILE 18 -9.309 -6.688 -3.594 191 1HG2 ILE 18 1HG2 ILE 18 -6.957 -4.257 -1.663 192 2HG2 ILE 18 2HG2 ILE 18 -8.090 -3.489 -2.777 193 3HG2 ILE 18 3HG2 ILE 18 -8.419 -3.490 -1.045 194 1HD1 ILE 18 1HD1 ILE 18 -9.483 -3.918 -3.822 195 2HD1 ILE 18 2HD1 ILE 18 -8.130 -4.338 -4.873 196 3HD1 ILE 18 3HD1 ILE 18 -9.712 -5.075 -5.134 197 H LYS 19 H LYS 19 -5.846 -5.829 -1.975 198 HA LYS 19 HA LYS 19 -5.450 -8.027 -3.751 199 1HB LYS 19 1HB LYS 19 -4.173 -5.827 -3.749 200 2HB LYS 19 2HB LYS 19 -3.262 -6.450 -2.372 201 1HG LYS 19 1HG LYS 19 -1.872 -7.340 -3.926 202 2HG LYS 19 2HG LYS 19 -3.136 -8.549 -4.155 203 1HD LYS 19 1HD LYS 19 -4.171 -6.808 -5.800 204 2HD LYS 19 2HD LYS 19 -2.558 -6.095 -5.799 205 1HE LYS 19 1HE LYS 19 -1.782 -7.705 -7.168 206 2HE LYS 19 2HE LYS 19 -2.373 -8.966 -6.087 207 1HZ LYS 19 1HZ LYS 19 -4.584 -7.838 -7.340 208 2HZ LYS 19 2HZ LYS 19 -3.435 -8.128 -8.553 209 3HZ LYS 19 3HZ LYS 19 -3.952 -9.400 -7.553 210 H LYS 20 H LYS 20 -5.184 -7.738 -0.336 211 HA LYS 20 HA LYS 20 -3.323 -9.915 0.071 212 1HB LYS 20 1HB LYS 20 -3.994 -7.978 1.692 213 2HB LYS 20 2HB LYS 20 -5.342 -9.034 2.117 214 1HG LYS 20 1HG LYS 20 -3.780 -10.834 2.699 215 2HG LYS 20 2HG LYS 20 -2.415 -9.824 2.220 216 1HD LYS 20 1HD LYS 20 -2.651 -8.398 4.049 217 2HD LYS 20 2HD LYS 20 -4.358 -8.788 4.259 218 1HE LYS 20 1HE LYS 20 -2.134 -10.786 4.735 219 2HE LYS 20 2HE LYS 20 -2.824 -9.785 6.013 220 1HZ LYS 20 1HZ LYS 20 -5.048 -10.723 5.043 221 2HZ LYS 20 2HZ LYS 20 -4.043 -11.984 4.506 222 3HZ LYS 20 3HZ LYS 20 -4.140 -11.623 6.161 223 H LEU 21 H LEU 21 -6.864 -9.609 0.490 224 HA LEU 21 HA LEU 21 -7.348 -12.326 1.122 225 1HB LEU 21 1HB LEU 21 -9.617 -11.829 0.828 226 2HB LEU 21 2HB LEU 21 -8.924 -10.252 1.192 227 HG LEU 21 HG LEU 21 -8.663 -10.040 -1.396 228 1HD1 LEU 21 1HD1 LEU 21 -9.972 -12.589 -1.138 229 2HD1 LEU 21 2HD1 LEU 21 -11.056 -11.466 -1.957 230 3HD1 LEU 21 3HD1 LEU 21 -9.446 -11.771 -2.608 231 1HD2 LEU 21 1HD2 LEU 21 -10.245 -8.777 0.126 232 2HD2 LEU 21 2HD2 LEU 21 -10.831 -8.993 -1.523 233 3HD2 LEU 21 3HD2 LEU 21 -11.457 -10.011 -0.227 234 H GLU 22 H GLU 22 -7.145 -10.685 -2.004 235 HA GLU 22 HA GLU 22 -7.790 -13.127 -3.467 236 1HB GLU 22 1HB GLU 22 -7.646 -11.800 -5.437 237 2HB GLU 22 2HB GLU 22 -8.351 -10.739 -4.217 238 1HG GLU 22 1HG GLU 22 -6.674 -9.286 -4.595 239 2HG GLU 22 2HG GLU 22 -5.557 -10.479 -3.931 240 H GLU 23 H GLU 23 -5.220 -12.604 -1.721 241 HA GLU 23 HA GLU 23 -3.256 -13.379 -3.796 242 1HB GLU 23 1HB GLU 23 -3.120 -11.624 -1.512 243 2HB GLU 23 2HB GLU 23 -1.929 -12.916 -1.345 244 1HG GLU 23 1HG GLU 23 -2.242 -11.003 -3.672 245 2HG GLU 23 2HG GLU 23 -0.872 -11.133 -2.571 246 H ASP 24 H ASP 24 -4.643 -14.300 -0.689 247 HA ASP 24 HA ASP 24 -4.226 -17.091 -1.140 248 1HB ASP 24 1HB ASP 24 -1.848 -16.409 -0.773 249 2HB ASP 24 2HB ASP 24 -2.296 -15.840 0.834 250 H ASN 25 H ASN 25 -6.155 -15.071 -0.056 251 HA ASN 25 HA ASN 25 -6.668 -16.421 2.563 252 1HB ASN 25 1HB ASN 25 -6.214 -13.654 2.067 253 2HB ASN 25 2HB ASN 25 -7.921 -13.843 2.469 254 1HD2 ASN 25 2HD2 ASN 25 -5.237 -15.886 3.666 255 2HD2 ASN 25 1HD2 ASN 25 -5.433 -15.466 5.299 256 HA PRO 26 HA PRO 26 -10.667 -17.297 0.992 257 1HB PRO 26 1HB PRO 26 -12.103 -17.283 3.337 258 2HB PRO 26 2HB PRO 26 -10.990 -18.582 2.880 259 1HG PRO 26 1HG PRO 26 -10.624 -16.422 4.903 260 2HG PRO 26 2HG PRO 26 -9.892 -18.035 4.839 261 1HD PRO 26 1HD PRO 26 -8.628 -15.611 4.103 262 2HD PRO 26 2HD PRO 26 -8.043 -17.248 3.734 263 H TRP 27 H TRP 27 -11.431 -15.110 3.709 264 HA TRP 27 HA TRP 27 -13.486 -13.728 2.286 265 1HB TRP 27 1HB TRP 27 -11.902 -13.122 4.777 266 2HB TRP 27 2HB TRP 27 -13.055 -11.950 4.136 267 HD1 TRP 27 HD1 TRP 27 -13.124 -15.775 4.773 268 HE1 TRP 27 HE1 TRP 27 -15.385 -16.358 5.867 269 HE3 TRP 27 HE3 TRP 27 -15.234 -11.130 4.962 270 HZ2 TRP 27 HZ2 TRP 27 -17.773 -15.026 6.713 271 HZ3 TRP 27 HZ3 TRP 27 -17.498 -10.814 5.918 272 HH2 TRP 27 HH2 TRP 27 -18.770 -12.754 6.792 Start of MODEL 17 1 1H ARG 1 1H ARG 1 -2.616 22.328 1.612 2 2H ARG 1 2H ARG 1 -3.990 22.837 0.758 3 3H ARG 1 3H ARG 1 -3.787 23.287 2.383 4 HA ARG 1 HA ARG 1 -4.191 21.138 3.171 5 1HB ARG 1 1HB ARG 1 -6.101 22.523 1.853 6 2HB ARG 1 2HB ARG 1 -6.102 21.042 0.895 7 1HG ARG 1 1HG ARG 1 -7.008 19.813 2.575 8 2HG ARG 1 2HG ARG 1 -6.011 20.592 3.805 9 1HD ARG 1 1HD ARG 1 -8.033 21.492 4.419 10 2HD ARG 1 2HD ARG 1 -7.607 22.668 3.176 11 HE ARG 1 HE ARG 1 -9.704 20.629 2.974 12 1HH1 ARG 1 1HH1 ARG 1 -8.681 23.568 1.848 13 2HH1 ARG 1 2HH1 ARG 1 -9.118 23.311 0.193 14 1HH2 ARG 1 1HH2 ARG 1 -9.789 19.935 0.616 15 2HH2 ARG 1 2HH2 ARG 1 -9.746 21.254 -0.505 16 H LYS 2 H LYS 2 -2.780 19.444 2.875 17 HA LYS 2 HA LYS 2 -2.263 18.364 0.200 18 1HB LYS 2 1HB LYS 2 -0.900 16.668 1.492 19 2HB LYS 2 2HB LYS 2 -0.411 18.345 1.735 20 1HG LYS 2 1HG LYS 2 -2.406 17.861 3.662 21 2HG LYS 2 2HG LYS 2 -1.376 16.431 3.682 22 1HD LYS 2 1HD LYS 2 0.044 17.636 4.963 23 2HD LYS 2 2HD LYS 2 0.438 18.530 3.494 24 1HE LYS 2 1HE LYS 2 -1.193 20.223 3.985 25 2HE LYS 2 2HE LYS 2 -1.882 19.263 5.294 26 1HZ LYS 2 1HZ LYS 2 0.534 19.385 6.207 27 2HZ LYS 2 2HZ LYS 2 0.643 20.760 5.212 28 3HZ LYS 2 3HZ LYS 2 -0.530 20.686 6.441 29 H LYS 3 H LYS 3 -4.975 18.174 0.653 30 HA LYS 3 HA LYS 3 -5.561 15.501 1.651 31 1HB LYS 3 1HB LYS 3 -7.048 17.827 1.469 32 2HB LYS 3 2HB LYS 3 -7.693 16.840 0.156 33 1HG LYS 3 1HG LYS 3 -8.357 15.116 1.610 34 2HG LYS 3 2HG LYS 3 -7.277 15.658 2.894 35 1HD LYS 3 1HD LYS 3 -9.099 17.783 2.206 36 2HD LYS 3 2HD LYS 3 -10.008 16.315 2.565 37 1HE LYS 3 1HE LYS 3 -9.521 17.748 4.586 38 2HE LYS 3 2HE LYS 3 -8.935 16.090 4.715 39 1HZ LYS 3 1HZ LYS 3 -7.164 18.148 3.601 40 2HZ LYS 3 2HZ LYS 3 -7.384 18.080 5.286 41 3HZ LYS 3 3HZ LYS 3 -6.771 16.733 4.456 42 H LEU 4 H LEU 4 -3.939 16.204 -0.819 43 HA LEU 4 HA LEU 4 -5.472 14.849 -2.927 44 1HB LEU 4 1HB LEU 4 -3.743 16.872 -3.158 45 2HB LEU 4 2HB LEU 4 -2.585 15.546 -3.259 46 HG LEU 4 HG LEU 4 -3.382 16.168 -5.504 47 1HD1 LEU 4 1HD1 LEU 4 -2.984 13.709 -4.683 48 2HD1 LEU 4 2HD1 LEU 4 -4.733 13.558 -4.860 49 3HD1 LEU 4 3HD1 LEU 4 -3.738 13.979 -6.255 50 1HD2 LEU 4 1HD2 LEU 4 -5.846 16.470 -4.159 51 2HD2 LEU 4 2HD2 LEU 4 -5.546 16.687 -5.882 52 3HD2 LEU 4 3HD2 LEU 4 -6.074 15.120 -5.271 53 H GLU 5 H GLU 5 -2.097 14.448 -1.823 54 HA GLU 5 HA GLU 5 -1.986 11.690 -2.513 55 1HB GLU 5 1HB GLU 5 0.114 11.670 -1.395 56 2HB GLU 5 2HB GLU 5 -0.049 13.315 -2.010 57 1HG GLU 5 1HG GLU 5 0.234 14.068 0.091 58 2HG GLU 5 2HG GLU 5 -1.302 13.316 0.517 59 H GLU 6 H GLU 6 -3.250 13.412 0.222 60 HA GLU 6 HA GLU 6 -3.256 11.339 2.168 61 1HB GLU 6 1HB GLU 6 -4.515 13.931 1.794 62 2HB GLU 6 2HB GLU 6 -5.641 12.782 2.519 63 1HG GLU 6 1HG GLU 6 -2.817 13.057 3.542 64 2HG GLU 6 2HG GLU 6 -4.105 14.118 4.115 65 H LEU 7 H LEU 7 -5.938 12.345 0.008 66 HA LEU 7 HA LEU 7 -7.510 10.018 0.571 67 1HB LEU 7 1HB LEU 7 -7.597 12.243 -1.415 68 2HB LEU 7 2HB LEU 7 -8.547 10.797 -1.759 69 HG LEU 7 HG LEU 7 -9.544 12.794 -0.302 70 1HD1 LEU 7 1HD1 LEU 7 -9.896 9.845 -0.239 71 2HD1 LEU 7 2HD1 LEU 7 -10.667 10.746 1.068 72 3HD1 LEU 7 3HD1 LEU 7 -11.068 11.109 -0.611 73 1HD2 LEU 7 1HD2 LEU 7 -7.558 12.440 1.329 74 2HD2 LEU 7 2HD2 LEU 7 -9.169 12.597 2.027 75 3HD2 LEU 7 3HD2 LEU 7 -8.433 11.004 1.861 76 H GLU 8 H GLU 8 -5.502 10.884 -2.277 77 HA GLU 8 HA GLU 8 -5.859 8.627 -3.842 78 1HB GLU 8 1HB GLU 8 -3.898 9.204 -4.912 79 2HB GLU 8 2HB GLU 8 -4.124 10.680 -3.976 80 1HG GLU 8 1HG GLU 8 -1.910 10.129 -3.470 81 2HG GLU 8 2HG GLU 8 -2.780 9.388 -2.127 82 H ARG 9 H ARG 9 -4.279 8.861 -0.750 83 HA ARG 9 HA ARG 9 -3.092 6.208 -0.874 84 1HB ARG 9 1HB ARG 9 -3.308 8.400 1.127 85 2HB ARG 9 2HB ARG 9 -3.098 6.767 1.761 86 1HG ARG 9 1HG ARG 9 -1.068 6.455 0.506 87 2HG ARG 9 2HG ARG 9 -1.329 7.948 -0.397 88 1HD ARG 9 1HD ARG 9 0.339 8.266 1.403 89 2HD ARG 9 2HD ARG 9 -1.094 9.256 1.673 90 HE ARG 9 HE ARG 9 -0.655 6.657 3.089 91 1HH1 ARG 9 1HH2 ARG 9 0.069 9.564 4.075 92 2HH1 ARG 9 2HH2 ARG 9 -1.221 9.806 5.202 93 1HH2 ARG 9 1HH1 ARG 9 -3.086 7.121 4.047 94 2HH2 ARG 9 2HH1 ARG 9 -3.009 8.421 5.187 95 H ASP 10 H ASP 10 -5.926 7.718 0.652 96 HA ASP 10 HA ASP 10 -6.915 5.480 2.055 97 1HB ASP 10 1HB ASP 10 -7.910 8.049 1.224 98 2HB ASP 10 2HB ASP 10 -9.149 6.828 0.935 99 H LEU 11 H LEU 11 -7.179 6.296 -1.387 100 HA LEU 11 HA LEU 11 -9.056 4.215 -2.018 101 1HB LEU 11 1HB LEU 11 -8.694 4.807 -4.254 102 2HB LEU 11 2HB LEU 11 -8.263 6.299 -3.418 103 HG LEU 11 HG LEU 11 -5.864 5.184 -3.346 104 1HD1 LEU 11 1HD1 LEU 11 -7.412 3.513 -5.208 105 2HD1 LEU 11 2HD1 LEU 11 -5.897 4.113 -5.877 106 3HD1 LEU 11 3HD1 LEU 11 -5.891 3.168 -4.387 107 1HD2 LEU 11 1HD2 LEU 11 -7.110 7.133 -4.887 108 2HD2 LEU 11 2HD2 LEU 11 -5.374 6.827 -4.824 109 3HD2 LEU 11 3HD2 LEU 11 -6.357 6.084 -6.088 110 H ARG 12 H ARG 12 -5.582 4.429 -1.731 111 HA ARG 12 HA ARG 12 -5.042 1.797 -2.811 112 1HB ARG 12 1HB ARG 12 -3.509 3.991 -1.516 113 2HB ARG 12 2HB ARG 12 -2.827 2.370 -1.383 114 1HG ARG 12 1HG ARG 12 -2.617 2.133 -3.713 115 2HG ARG 12 2HG ARG 12 -3.789 3.411 -4.039 116 1HD ARG 12 1HD ARG 12 -1.835 4.573 -4.456 117 2HD ARG 12 2HD ARG 12 -2.003 4.889 -2.729 118 HE ARG 12 HE ARG 12 -0.338 2.600 -3.677 119 1HH1 ARG 12 1HH1 ARG 12 -0.405 5.829 -2.585 120 2HH1 ARG 12 2HH1 ARG 12 0.949 5.654 -1.518 121 1HH2 ARG 12 1HH2 ARG 12 1.248 2.238 -2.026 122 2HH2 ARG 12 2HH2 ARG 12 1.884 3.622 -1.201 123 H LYS 13 H LYS 13 -5.935 3.117 0.271 124 HA LYS 13 HA LYS 13 -4.940 1.109 2.010 125 1HB LYS 13 1HB LYS 13 -6.477 3.386 2.304 126 2HB LYS 13 2HB LYS 13 -7.618 2.101 2.698 127 1HG LYS 13 1HG LYS 13 -6.383 1.375 4.523 128 2HG LYS 13 2HG LYS 13 -4.862 1.979 3.866 129 1HD LYS 13 1HD LYS 13 -6.809 4.113 4.329 130 2HD LYS 13 2HD LYS 13 -6.394 3.241 5.805 131 1HE LYS 13 1HE LYS 13 -4.002 3.593 5.359 132 2HE LYS 13 2HE LYS 13 -4.396 4.433 3.860 133 1HZ LYS 13 1HZ LYS 13 -5.429 5.305 6.494 134 2HZ LYS 13 2HZ LYS 13 -3.960 5.874 5.857 135 3HZ LYS 13 3HZ LYS 13 -5.414 6.175 5.035 136 H LEU 14 H LEU 14 -7.526 1.071 -0.299 137 HA LEU 14 HA LEU 14 -8.887 -1.224 0.849 138 1HB LEU 14 1HB LEU 14 -9.376 0.651 -1.246 139 2HB LEU 14 2HB LEU 14 -9.419 -0.964 -1.952 140 HG LEU 14 HG LEU 14 -10.784 -1.174 0.505 141 1HD1 LEU 14 1HD1 LEU 14 -11.502 1.330 -1.040 142 2HD1 LEU 14 2HD1 LEU 14 -12.592 0.556 0.111 143 3HD1 LEU 14 3HD1 LEU 14 -11.051 1.214 0.660 144 1HD2 LEU 14 1HD2 LEU 14 -11.252 -2.377 -1.620 145 2HD2 LEU 14 2HD2 LEU 14 -12.708 -1.639 -0.952 146 3HD2 LEU 14 3HD2 LEU 14 -11.878 -0.880 -2.311 147 H LYS 15 H LYS 15 -7.385 -0.918 -2.361 148 HA LYS 15 HA LYS 15 -6.970 -3.593 -2.923 149 1HB LYS 15 1HB LYS 15 -5.406 -2.916 -4.533 150 2HB LYS 15 2HB LYS 15 -6.370 -1.460 -4.294 151 1HG LYS 15 1HG LYS 15 -4.682 -0.646 -2.652 152 2HG LYS 15 2HG LYS 15 -3.696 -2.068 -3.002 153 1HD LYS 15 1HD LYS 15 -4.027 -1.252 -5.510 154 2HD LYS 15 2HD LYS 15 -4.272 0.308 -4.725 155 1HE LYS 15 1HE LYS 15 -2.057 0.529 -4.405 156 2HE LYS 15 2HE LYS 15 -2.012 -0.998 -3.523 157 1HZ LYS 15 1HZ LYS 15 -2.003 -0.795 -6.482 158 2HZ LYS 15 2HZ LYS 15 -0.599 -0.940 -5.546 159 3HZ LYS 15 3HZ LYS 15 -1.748 -2.191 -5.549 160 H LYS 16 H LYS 16 -5.379 -1.709 -0.494 161 HA LYS 16 HA LYS 16 -2.972 -3.189 -0.201 162 1HB LYS 16 1HB LYS 16 -4.509 -1.271 1.373 163 2HB LYS 16 2HB LYS 16 -3.719 -2.479 2.387 164 1HG LYS 16 1HG LYS 16 -1.707 -1.925 0.650 165 2HG LYS 16 2HG LYS 16 -2.523 -0.361 0.694 166 1HD LYS 16 1HD LYS 16 -0.994 -0.221 2.481 167 2HD LYS 16 2HD LYS 16 -2.504 -0.671 3.273 168 1HE LYS 16 1HE LYS 16 -0.961 -2.183 4.198 169 2HE LYS 16 2HE LYS 16 -1.702 -3.120 2.900 170 1HZ LYS 16 1HZ LYS 16 0.207 -2.142 1.496 171 2HZ LYS 16 2HZ LYS 16 0.959 -1.866 2.994 172 3HZ LYS 16 3HZ LYS 16 0.535 -3.443 2.539 173 H LYS 17 H LYS 17 -6.137 -3.647 1.410 174 HA LYS 17 HA LYS 17 -5.211 -6.183 2.546 175 1HB LYS 17 1HB LYS 17 -7.096 -4.283 3.319 176 2HB LYS 17 2HB LYS 17 -8.065 -5.660 2.793 177 1HG LYS 17 1HG LYS 17 -7.671 -6.344 4.952 178 2HG LYS 17 2HG LYS 17 -6.203 -6.982 4.211 179 1HD LYS 17 1HD LYS 17 -5.290 -4.540 4.718 180 2HD LYS 17 2HD LYS 17 -6.554 -4.572 5.948 181 1HE LYS 17 1HE LYS 17 -5.629 -6.729 6.792 182 2HE LYS 17 2HE LYS 17 -4.318 -6.591 5.621 183 1HZ LYS 17 1HZ LYS 17 -3.860 -4.359 6.652 184 2HZ LYS 17 2HZ LYS 17 -4.916 -4.805 7.907 185 3HZ LYS 17 3HZ LYS 17 -3.506 -5.706 7.626 186 H ILE 18 H ILE 18 -7.750 -5.124 0.264 187 HA ILE 18 HA ILE 18 -8.774 -7.645 -0.403 188 HB ILE 18 HB ILE 18 -10.040 -6.021 -1.388 189 1HG1 ILE 18 1HG1 ILE 18 -7.888 -6.485 -3.460 190 2HG1 ILE 18 2HG1 ILE 18 -9.452 -7.292 -3.338 191 1HG2 ILE 18 1HG2 ILE 18 -7.460 -4.513 -1.467 192 2HG2 ILE 18 2HG2 ILE 18 -8.814 -3.947 -2.444 193 3HG2 ILE 18 3HG2 ILE 18 -8.983 -4.079 -0.694 194 1HD1 ILE 18 1HD1 ILE 18 -9.977 -4.506 -3.428 195 2HD1 ILE 18 2HD1 ILE 18 -8.795 -4.838 -4.694 196 3HD1 ILE 18 3HD1 ILE 18 -10.332 -5.702 -4.674 197 H LYS 19 H LYS 19 -6.047 -5.864 -1.874 198 HA LYS 19 HA LYS 19 -5.414 -7.918 -3.770 199 1HB LYS 19 1HB LYS 19 -4.587 -5.549 -3.899 200 2HB LYS 19 2HB LYS 19 -3.515 -5.901 -2.543 201 1HG LYS 19 1HG LYS 19 -2.061 -6.410 -4.245 202 2HG LYS 19 2HG LYS 19 -2.869 -7.973 -4.130 203 1HD LYS 19 1HD LYS 19 -3.953 -7.704 -6.117 204 2HD LYS 19 2HD LYS 19 -4.233 -5.984 -5.843 205 1HE LYS 19 1HE LYS 19 -2.593 -5.614 -7.354 206 2HE LYS 19 2HE LYS 19 -1.470 -6.158 -6.109 207 1HZ LYS 19 1HZ LYS 19 -2.850 -8.029 -7.943 208 2HZ LYS 19 2HZ LYS 19 -1.338 -7.342 -8.304 209 3HZ LYS 19 3HZ LYS 19 -1.510 -8.340 -6.944 210 H LYS 20 H LYS 20 -4.888 -7.575 -0.384 211 HA LYS 20 HA LYS 20 -2.594 -9.295 -0.148 212 1HB LYS 20 1HB LYS 20 -3.245 -7.759 1.658 213 2HB LYS 20 2HB LYS 20 -4.757 -8.641 1.874 214 1HG LYS 20 1HG LYS 20 -3.381 -10.710 2.334 215 2HG LYS 20 2HG LYS 20 -1.951 -9.678 2.344 216 1HD LYS 20 1HD LYS 20 -3.990 -8.495 3.998 217 2HD LYS 20 2HD LYS 20 -3.733 -10.169 4.493 218 1HE LYS 20 1HE LYS 20 -2.203 -8.608 5.674 219 2HE LYS 20 2HE LYS 20 -1.322 -9.770 4.682 220 1HZ LYS 20 1HZ LYS 20 -2.027 -7.008 3.850 221 2HZ LYS 20 2HZ LYS 20 -0.499 -7.498 4.407 222 3HZ LYS 20 3HZ LYS 20 -1.117 -8.123 2.953 223 H LEU 21 H LEU 21 -6.072 -9.927 0.539 224 HA LEU 21 HA LEU 21 -5.733 -12.722 0.907 225 1HB LEU 21 1HB LEU 21 -8.163 -12.837 0.606 226 2HB LEU 21 2HB LEU 21 -7.729 -11.461 1.616 227 HG LEU 21 HG LEU 21 -7.668 -10.282 -0.812 228 1HD1 LEU 21 1HD1 LEU 21 -9.557 -12.624 -0.976 229 2HD1 LEU 21 2HD1 LEU 21 -9.880 -11.146 -1.881 230 3HD1 LEU 21 3HD1 LEU 21 -8.401 -12.058 -2.180 231 1HD2 LEU 21 1HD2 LEU 21 -9.712 -10.623 1.315 232 2HD2 LEU 21 2HD2 LEU 21 -8.978 -9.148 0.688 233 3HD2 LEU 21 3HD2 LEU 21 -10.284 -9.930 -0.203 234 H GLU 22 H GLU 22 -6.453 -10.803 -1.983 235 HA GLU 22 HA GLU 22 -6.837 -13.048 -3.730 236 1HB GLU 22 1HB GLU 22 -6.065 -10.169 -4.260 237 2HB GLU 22 2HB GLU 22 -6.363 -11.340 -5.545 238 1HG GLU 22 1HG GLU 22 -8.599 -11.764 -4.178 239 2HG GLU 22 2HG GLU 22 -8.291 -10.126 -3.602 240 H GLU 23 H GLU 23 -4.051 -11.658 -2.297 241 HA GLU 23 HA GLU 23 -2.059 -12.149 -4.244 242 1HB GLU 23 1HB GLU 23 -2.032 -11.208 -1.694 243 2HB GLU 23 2HB GLU 23 -1.356 -12.818 -1.444 244 1HG GLU 23 1HG GLU 23 0.610 -11.842 -2.045 245 2HG GLU 23 2HG GLU 23 -0.008 -12.017 -3.687 246 H ASP 24 H ASP 24 -3.628 -14.326 -1.939 247 HA ASP 24 HA ASP 24 -1.921 -16.589 -2.547 248 1HB ASP 24 1HB ASP 24 -3.452 -16.188 -0.474 249 2HB ASP 24 2HB ASP 24 -4.737 -16.824 -1.501 250 H ASN 25 H ASN 25 -2.031 -16.431 -4.934 251 HA ASN 25 HA ASN 25 -4.414 -16.667 -6.442 252 1HB ASN 25 1HB ASN 25 -1.556 -17.489 -6.938 253 2HB ASN 25 2HB ASN 25 -2.814 -17.807 -8.133 254 1HD2 ASN 25 2HD2 ASN 25 -2.093 -16.225 -9.689 255 2HD2 ASN 25 1HD2 ASN 25 -2.140 -14.557 -9.378 256 HA PRO 26 HA PRO 26 -5.604 -20.799 -5.451 257 1HB PRO 26 1HB PRO 26 -7.543 -21.025 -7.387 258 2HB PRO 26 2HB PRO 26 -7.764 -20.119 -5.881 259 1HG PRO 26 1HG PRO 26 -7.318 -19.087 -8.643 260 2HG PRO 26 2HG PRO 26 -8.139 -18.314 -7.276 261 1HD PRO 26 1HD PRO 26 -5.510 -17.752 -8.166 262 2HD PRO 26 2HD PRO 26 -6.222 -17.239 -6.620 263 H TRP 27 H TRP 27 -6.017 -20.495 -8.979 264 HA TRP 27 HA TRP 27 -4.349 -22.939 -9.299 265 1HB TRP 27 1HB TRP 27 -6.782 -22.449 -10.318 266 2HB TRP 27 2HB TRP 27 -5.810 -21.723 -11.599 267 HD1 TRP 27 HD1 TRP 27 -4.557 -24.732 -9.622 268 HE1 TRP 27 HE1 TRP 27 -4.383 -26.755 -11.209 269 HE3 TRP 27 HE3 TRP 27 -6.758 -22.773 -13.791 270 HZ2 TRP 27 HZ2 TRP 27 -5.085 -27.451 -13.893 271 HZ3 TRP 27 HZ3 TRP 27 -6.994 -24.135 -15.847 272 HH2 TRP 27 HH2 TRP 27 -6.160 -26.469 -15.904 Start of MODEL 18 1 1H ARG 1 1H ARG 1 -3.806 22.882 0.174 2 2H ARG 1 2H ARG 1 -4.807 22.658 -1.180 3 3H ARG 1 3H ARG 1 -5.309 23.665 0.093 4 HA ARG 1 HA ARG 1 -5.470 21.800 1.584 5 1HB ARG 1 1HB ARG 1 -7.176 22.372 -0.494 6 2HB ARG 1 2HB ARG 1 -6.876 20.650 -0.732 7 1HG ARG 1 1HG ARG 1 -7.397 20.301 1.711 8 2HG ARG 1 2HG ARG 1 -7.895 21.992 1.785 9 1HD ARG 1 1HD ARG 1 -9.141 19.744 0.200 10 2HD ARG 1 2HD ARG 1 -9.906 20.802 1.385 11 HE ARG 1 HE ARG 1 -8.886 21.970 -1.161 12 1HH1 ARG 1 1HH2 ARG 1 -11.563 20.409 -1.136 13 2HH1 ARG 1 2HH2 ARG 1 -12.682 21.721 -0.970 14 1HH2 ARG 1 1HH1 ARG 1 -10.262 24.012 -0.010 15 2HH2 ARG 1 2HH1 ARG 1 -11.945 23.760 -0.333 16 H LYS 2 H LYS 2 -4.268 20.057 2.158 17 HA LYS 2 HA LYS 2 -2.834 18.546 0.068 18 1HB LYS 2 1HB LYS 2 -2.775 18.106 3.063 19 2HB LYS 2 2HB LYS 2 -1.595 17.547 1.876 20 1HG LYS 2 1HG LYS 2 -0.447 19.449 2.263 21 2HG LYS 2 2HG LYS 2 -1.761 20.315 1.463 22 1HD LYS 2 1HD LYS 2 -1.241 21.171 3.772 23 2HD LYS 2 2HD LYS 2 -2.911 20.642 3.568 24 1HE LYS 2 1HE LYS 2 -2.621 18.756 4.876 25 2HE LYS 2 2HE LYS 2 -0.902 18.635 4.505 26 1HZ LYS 2 1HZ LYS 2 -1.484 21.065 5.850 27 2HZ LYS 2 2HZ LYS 2 -2.037 19.738 6.756 28 3HZ LYS 2 3HZ LYS 2 -0.406 19.830 6.287 29 H LYS 3 H LYS 3 -5.697 18.286 0.135 30 HA LYS 3 HA LYS 3 -6.178 15.648 1.298 31 1HB LYS 3 1HB LYS 3 -7.880 17.802 0.151 32 2HB LYS 3 2HB LYS 3 -8.480 16.149 0.010 33 1HG LYS 3 1HG LYS 3 -7.822 16.000 2.555 34 2HG LYS 3 2HG LYS 3 -7.938 17.759 2.485 35 1HD LYS 3 1HD LYS 3 -10.195 17.709 2.370 36 2HD LYS 3 2HD LYS 3 -10.183 16.427 1.159 37 1HE LYS 3 1HE LYS 3 -9.738 14.766 2.950 38 2HE LYS 3 2HE LYS 3 -9.821 16.059 4.148 39 1HZ LYS 3 1HZ LYS 3 -12.059 15.817 2.292 40 2HZ LYS 3 2HZ LYS 3 -11.915 14.611 3.479 41 3HZ LYS 3 3HZ LYS 3 -12.052 16.242 3.935 42 H LEU 4 H LEU 4 -4.410 16.322 -1.060 43 HA LEU 4 HA LEU 4 -5.678 14.790 -3.224 44 1HB LEU 4 1HB LEU 4 -4.377 16.739 -3.893 45 2HB LEU 4 2HB LEU 4 -2.972 16.138 -3.015 46 HG LEU 4 HG LEU 4 -3.091 15.735 -5.586 47 1HD1 LEU 4 1HD1 LEU 4 -1.721 14.534 -3.599 48 2HD1 LEU 4 2HD1 LEU 4 -2.648 13.151 -4.178 49 3HD1 LEU 4 3HD1 LEU 4 -1.590 14.026 -5.283 50 1HD2 LEU 4 1HD2 LEU 4 -5.416 14.873 -5.571 51 2HD2 LEU 4 2HD2 LEU 4 -4.292 13.672 -6.204 52 3HD2 LEU 4 3HD2 LEU 4 -4.904 13.525 -4.557 53 H GLU 5 H GLU 5 -2.440 14.644 -1.722 54 HA GLU 5 HA GLU 5 -2.045 11.887 -2.307 55 1HB GLU 5 1HB GLU 5 -0.859 13.646 -0.140 56 2HB GLU 5 2HB GLU 5 -0.230 12.066 -0.612 57 1HG GLU 5 1HG GLU 5 -0.397 13.305 -3.039 58 2HG GLU 5 2HG GLU 5 -0.011 14.670 -1.989 59 H GLU 6 H GLU 6 -3.750 13.602 0.180 60 HA GLU 6 HA GLU 6 -3.886 11.684 2.239 61 1HB GLU 6 1HB GLU 6 -5.277 14.081 1.487 62 2HB GLU 6 2HB GLU 6 -6.464 12.864 1.957 63 1HG GLU 6 1HG GLU 6 -4.440 12.586 3.851 64 2HG GLU 6 2HG GLU 6 -4.561 14.330 3.615 65 H LEU 7 H LEU 7 -6.239 12.135 -0.434 66 HA LEU 7 HA LEU 7 -7.576 9.653 0.108 67 1HB LEU 7 1HB LEU 7 -7.583 11.633 -2.152 68 2HB LEU 7 2HB LEU 7 -8.404 10.080 -2.338 69 HG LEU 7 HG LEU 7 -9.759 12.095 -1.387 70 1HD1 LEU 7 1HD1 LEU 7 -10.132 9.445 -1.291 71 2HD1 LEU 7 2HD1 LEU 7 -9.922 9.734 0.435 72 3HD1 LEU 7 3HD1 LEU 7 -11.207 10.559 -0.447 73 1HD2 LEU 7 1HD2 LEU 7 -7.969 12.676 0.284 74 2HD2 LEU 7 2HD2 LEU 7 -9.554 12.421 1.014 75 3HD2 LEU 7 3HD2 LEU 7 -8.321 11.163 1.118 76 H GLU 8 H GLU 8 -5.132 10.629 -2.313 77 HA GLU 8 HA GLU 8 -4.900 8.315 -3.820 78 1HB GLU 8 1HB GLU 8 -2.737 10.104 -2.682 79 2HB GLU 8 2HB GLU 8 -2.372 8.782 -3.791 80 1HG GLU 8 1HG GLU 8 -4.574 10.581 -4.628 81 2HG GLU 8 2HG GLU 8 -2.963 11.297 -4.623 82 H ARG 9 H ARG 9 -4.014 8.814 -0.472 83 HA ARG 9 HA ARG 9 -2.631 6.274 -0.201 84 1HB ARG 9 1HB ARG 9 -3.565 8.430 1.668 85 2HB ARG 9 2HB ARG 9 -3.119 6.855 2.324 86 1HG ARG 9 1HG ARG 9 -0.898 7.010 1.421 87 2HG ARG 9 2HG ARG 9 -1.324 8.429 0.463 88 1HD ARG 9 1HD ARG 9 -1.461 9.822 2.367 89 2HD ARG 9 2HD ARG 9 -1.561 8.449 3.470 90 HE ARG 9 HE ARG 9 0.943 8.862 1.914 91 1HH1 ARG 9 1HH1 ARG 9 -0.341 7.407 4.600 92 2HH1 ARG 9 2HH1 ARG 9 0.849 7.978 5.721 93 1HH2 ARG 9 1HH2 ARG 9 2.289 10.190 3.474 94 2HH2 ARG 9 2HH2 ARG 9 2.339 9.554 5.083 95 H ASP 10 H ASP 10 -5.837 7.567 0.632 96 HA ASP 10 HA ASP 10 -6.889 5.246 1.866 97 1HB ASP 10 1HB ASP 10 -7.876 7.762 0.973 98 2HB ASP 10 2HB ASP 10 -8.935 6.517 0.311 99 H LEU 11 H LEU 11 -6.086 5.842 -1.441 100 HA LEU 11 HA LEU 11 -7.905 3.881 -2.559 101 1HB LEU 11 1HB LEU 11 -7.013 4.484 -4.607 102 2HB LEU 11 2HB LEU 11 -6.600 5.920 -3.675 103 HG LEU 11 HG LEU 11 -4.404 4.619 -3.111 104 1HD1 LEU 11 1HD1 LEU 11 -5.664 2.661 -4.592 105 2HD1 LEU 11 2HD1 LEU 11 -4.579 3.391 -5.776 106 3HD1 LEU 11 3HD1 LEU 11 -3.931 2.730 -4.275 107 1HD2 LEU 11 1HD2 LEU 11 -4.839 6.655 -4.690 108 2HD2 LEU 11 2HD2 LEU 11 -3.326 5.763 -4.856 109 3HD2 LEU 11 3HD2 LEU 11 -4.647 5.477 -5.988 110 H ARG 12 H ARG 12 -4.576 3.957 -1.444 111 HA ARG 12 HA ARG 12 -4.064 1.200 -2.249 112 1HB ARG 12 1HB ARG 12 -2.527 3.403 -0.938 113 2HB ARG 12 2HB ARG 12 -1.967 1.746 -0.709 114 1HG ARG 12 1HG ARG 12 -2.342 1.636 -3.346 115 2HG ARG 12 2HG ARG 12 -2.092 3.378 -3.210 116 1HD ARG 12 1HD ARG 12 0.000 2.819 -1.841 117 2HD ARG 12 2HD ARG 12 -0.202 1.161 -2.406 118 HE ARG 12 HE ARG 12 0.114 1.999 -4.715 119 1HH1 ARG 12 1HH1 ARG 12 0.119 4.561 -2.478 120 2HH1 ARG 12 2HH1 ARG 12 1.421 5.420 -3.231 121 1HH2 ARG 12 1HH2 ARG 12 2.089 2.920 -5.539 122 2HH2 ARG 12 2HH2 ARG 12 2.536 4.492 -4.964 123 H LYS 13 H LYS 13 -5.247 2.913 0.515 124 HA LYS 13 HA LYS 13 -4.588 1.115 2.600 125 1HB LYS 13 1HB LYS 13 -5.760 3.433 2.699 126 2HB LYS 13 2HB LYS 13 -7.250 2.521 2.455 127 1HG LYS 13 1HG LYS 13 -7.254 1.802 4.590 128 2HG LYS 13 2HG LYS 13 -5.572 1.280 4.480 129 1HD LYS 13 1HD LYS 13 -5.372 4.046 4.497 130 2HD LYS 13 2HD LYS 13 -6.685 3.731 5.632 131 1HE LYS 13 1HE LYS 13 -4.230 2.031 5.810 132 2HE LYS 13 2HE LYS 13 -4.150 3.681 6.431 133 1HZ LYS 13 1HZ LYS 13 -6.508 2.177 7.186 134 2HZ LYS 13 2HZ LYS 13 -5.052 1.604 7.839 135 3HZ LYS 13 3HZ LYS 13 -5.531 3.210 8.116 136 H LEU 14 H LEU 14 -7.124 0.977 0.152 137 HA LEU 14 HA LEU 14 -8.420 -1.312 1.401 138 1HB LEU 14 1HB LEU 14 -8.970 0.497 -0.793 139 2HB LEU 14 2HB LEU 14 -9.216 -1.178 -1.288 140 HG LEU 14 HG LEU 14 -10.354 -1.152 1.215 141 1HD1 LEU 14 1HD1 LEU 14 -10.976 1.487 -0.149 142 2HD1 LEU 14 2HD1 LEU 14 -11.804 0.851 1.272 143 3HD1 LEU 14 3HD1 LEU 14 -10.100 1.295 1.371 144 1HD2 LEU 14 1HD2 LEU 14 -11.261 -2.118 -0.902 145 2HD2 LEU 14 2HD2 LEU 14 -12.483 -1.231 0.009 146 3HD2 LEU 14 3HD2 LEU 14 -11.735 -0.497 -1.409 147 H LYS 15 H LYS 15 -6.740 -0.882 -1.734 148 HA LYS 15 HA LYS 15 -6.514 -3.535 -2.504 149 1HB LYS 15 1HB LYS 15 -4.815 -1.112 -2.878 150 2HB LYS 15 2HB LYS 15 -4.109 -2.668 -3.313 151 1HG LYS 15 1HG LYS 15 -5.868 -3.130 -4.875 152 2HG LYS 15 2HG LYS 15 -6.832 -1.775 -4.286 153 1HD LYS 15 1HD LYS 15 -4.731 -0.347 -4.963 154 2HD LYS 15 2HD LYS 15 -4.354 -1.734 -5.986 155 1HE LYS 15 1HE LYS 15 -7.090 -1.268 -6.389 156 2HE LYS 15 2HE LYS 15 -6.354 0.334 -6.375 157 1HZ LYS 15 1HZ LYS 15 -5.322 -1.942 -7.973 158 2HZ LYS 15 2HZ LYS 15 -6.379 -0.764 -8.586 159 3HZ LYS 15 3HZ LYS 15 -4.831 -0.317 -8.060 160 H LYS 16 H LYS 16 -4.606 -1.829 -0.069 161 HA LYS 16 HA LYS 16 -2.543 -3.698 0.328 162 1HB LYS 16 1HB LYS 16 -2.108 -2.582 2.301 163 2HB LYS 16 2HB LYS 16 -3.162 -1.394 1.537 164 1HG LYS 16 1HG LYS 16 -5.104 -2.367 2.732 165 2HG LYS 16 2HG LYS 16 -4.027 -3.515 3.524 166 1HD LYS 16 1HD LYS 16 -2.799 -1.067 3.981 167 2HD LYS 16 2HD LYS 16 -4.517 -0.702 4.149 168 1HE LYS 16 1HE LYS 16 -4.559 -1.711 6.157 169 2HE LYS 16 2HE LYS 16 -3.978 -3.210 5.434 170 1HZ LYS 16 1HZ LYS 16 -1.867 -1.350 5.606 171 2HZ LYS 16 2HZ LYS 16 -2.598 -1.508 7.132 172 3HZ LYS 16 3HZ LYS 16 -1.999 -2.879 6.333 173 H LYS 17 H LYS 17 -5.825 -3.686 1.696 174 HA LYS 17 HA LYS 17 -5.344 -6.288 2.960 175 1HB LYS 17 1HB LYS 17 -6.982 -4.133 3.574 176 2HB LYS 17 2HB LYS 17 -8.106 -5.352 2.972 177 1HG LYS 17 1HG LYS 17 -7.989 -6.307 5.014 178 2HG LYS 17 2HG LYS 17 -6.345 -6.790 4.594 179 1HD LYS 17 1HD LYS 17 -5.383 -5.106 5.834 180 2HD LYS 17 2HD LYS 17 -6.731 -4.000 5.570 181 1HE LYS 17 1HE LYS 17 -7.259 -6.467 7.168 182 2HE LYS 17 2HE LYS 17 -6.338 -5.175 7.937 183 1HZ LYS 17 1HZ LYS 17 -8.930 -4.747 6.560 184 2HZ LYS 17 2HZ LYS 17 -8.790 -5.021 8.231 185 3HZ LYS 17 3HZ LYS 17 -8.086 -3.643 7.537 186 H ILE 18 H ILE 18 -7.727 -5.006 0.591 187 HA ILE 18 HA ILE 18 -8.766 -7.542 -0.101 188 HB ILE 18 HB ILE 18 -10.159 -5.823 -0.717 189 1HG1 ILE 18 1HG1 ILE 18 -9.039 -7.238 -2.790 190 2HG1 ILE 18 2HG1 ILE 18 -10.473 -6.222 -2.905 191 1HG2 ILE 18 1HG2 ILE 18 -7.624 -4.351 -1.336 192 2HG2 ILE 18 2HG2 ILE 18 -9.148 -3.781 -2.016 193 3HG2 ILE 18 3HG2 ILE 18 -8.948 -3.891 -0.268 194 1HD1 ILE 18 1HD1 ILE 18 -9.056 -4.292 -3.526 195 2HD1 ILE 18 2HD1 ILE 18 -7.625 -5.318 -3.425 196 3HD1 ILE 18 3HD1 ILE 18 -8.845 -5.625 -4.661 197 H LYS 19 H LYS 19 -6.369 -5.486 -1.825 198 HA LYS 19 HA LYS 19 -5.842 -7.260 -3.944 199 1HB LYS 19 1HB LYS 19 -4.863 -4.854 -3.326 200 2HB LYS 19 2HB LYS 19 -3.527 -5.828 -2.710 201 1HG LYS 19 1HG LYS 19 -3.103 -6.795 -4.832 202 2HG LYS 19 2HG LYS 19 -4.663 -6.272 -5.471 203 1HD LYS 19 1HD LYS 19 -3.810 -4.291 -6.116 204 2HD LYS 19 2HD LYS 19 -3.145 -3.999 -4.509 205 1HE LYS 19 1HE LYS 19 -1.067 -4.603 -5.159 206 2HE LYS 19 2HE LYS 19 -1.665 -6.062 -5.949 207 1HZ LYS 19 1HZ LYS 19 -2.486 -3.817 -7.424 208 2HZ LYS 19 2HZ LYS 19 -0.814 -3.693 -7.144 209 3HZ LYS 19 3HZ LYS 19 -1.446 -5.074 -7.901 210 H LYS 20 H LYS 20 -5.093 -7.568 -0.594 211 HA LYS 20 HA LYS 20 -2.954 -9.509 -0.971 212 1HB LYS 20 1HB LYS 20 -4.127 -8.047 1.235 213 2HB LYS 20 2HB LYS 20 -3.993 -9.759 1.635 214 1HG LYS 20 1HG LYS 20 -1.696 -9.743 1.551 215 2HG LYS 20 2HG LYS 20 -1.649 -8.509 0.291 216 1HD LYS 20 1HD LYS 20 -1.452 -6.851 1.807 217 2HD LYS 20 2HD LYS 20 -2.809 -7.470 2.750 218 1HE LYS 20 1HE LYS 20 -1.396 -8.298 4.291 219 2HE LYS 20 2HE LYS 20 -0.578 -9.253 3.054 220 1HZ LYS 20 1HZ LYS 20 0.162 -6.565 2.755 221 2HZ LYS 20 2HZ LYS 20 0.368 -6.988 4.384 222 3HZ LYS 20 3HZ LYS 20 1.141 -7.890 3.171 223 H LEU 21 H LEU 21 -6.415 -9.574 -0.199 224 HA LEU 21 HA LEU 21 -6.530 -12.414 0.233 225 1HB LEU 21 1HB LEU 21 -8.794 -12.095 0.557 226 2HB LEU 21 2HB LEU 21 -8.215 -10.454 0.833 227 HG LEU 21 HG LEU 21 -8.592 -10.138 -1.723 228 1HD1 LEU 21 1HD1 LEU 21 -9.723 -12.811 -1.199 229 2HD1 LEU 21 2HD1 LEU 21 -10.799 -11.726 -2.079 230 3HD1 LEU 21 3HD1 LEU 21 -9.198 -12.092 -2.722 231 1HD2 LEU 21 1HD2 LEU 21 -10.503 -10.147 0.538 232 2HD2 LEU 21 2HD2 LEU 21 -10.076 -8.843 -0.568 233 3HD2 LEU 21 3HD2 LEU 21 -11.233 -10.078 -1.065 234 H GLU 22 H GLU 22 -7.058 -10.338 -2.581 235 HA GLU 22 HA GLU 22 -8.066 -12.335 -4.336 236 1HB GLU 22 1HB GLU 22 -7.616 -10.815 -6.104 237 2HB GLU 22 2HB GLU 22 -7.948 -9.791 -4.708 238 1HG GLU 22 1HG GLU 22 -5.575 -9.466 -4.311 239 2HG GLU 22 2HG GLU 22 -5.165 -10.621 -5.581 240 H GLU 23 H GLU 23 -4.982 -11.997 -2.945 241 HA GLU 23 HA GLU 23 -3.645 -13.480 -5.110 242 1HB GLU 23 1HB GLU 23 -2.796 -11.639 -3.074 243 2HB GLU 23 2HB GLU 23 -1.912 -13.155 -2.889 244 1HG GLU 23 1HG GLU 23 -0.571 -12.387 -4.543 245 2HG GLU 23 2HG GLU 23 -1.906 -12.775 -5.629 246 H ASP 24 H ASP 24 -2.183 -15.350 -4.271 247 HA ASP 24 HA ASP 24 -2.533 -16.778 -1.928 248 1HB ASP 24 1HB ASP 24 -4.882 -16.901 -2.097 249 2HB ASP 24 2HB ASP 24 -4.834 -17.177 -3.838 250 H ASN 25 H ASN 25 -2.266 -16.857 -5.410 251 HA ASN 25 HA ASN 25 -0.821 -19.460 -5.241 252 1HB ASN 25 1HB ASN 25 -2.386 -18.069 -7.351 253 2HB ASN 25 2HB ASN 25 -0.974 -18.978 -7.894 254 1HD2 ASN 25 2HD2 ASN 25 -3.823 -19.400 -5.713 255 2HD2 ASN 25 1HD2 ASN 25 -4.046 -21.041 -6.084 256 HA PRO 26 HA PRO 26 3.000 -17.442 -5.984 257 1HB PRO 26 1HB PRO 26 4.327 -19.474 -7.277 258 2HB PRO 26 2HB PRO 26 4.001 -19.470 -5.536 259 1HG PRO 26 1HG PRO 26 2.677 -21.053 -7.690 260 2HG PRO 26 2HG PRO 26 2.857 -21.432 -5.969 261 1HD PRO 26 1HD PRO 26 0.515 -20.440 -7.210 262 2HD PRO 26 2HD PRO 26 0.823 -20.507 -5.461 263 H TRP 27 H TRP 27 2.754 -19.513 -8.874 264 HA TRP 27 HA TRP 27 2.715 -17.037 -10.550 265 1HB TRP 27 1HB TRP 27 4.211 -18.247 -12.153 266 2HB TRP 27 2HB TRP 27 4.982 -17.933 -10.598 267 HD1 TRP 27 HD1 TRP 27 2.821 -20.781 -12.104 268 HE1 TRP 27 HE1 TRP 27 3.831 -23.029 -11.345 269 HE3 TRP 27 HE3 TRP 27 6.704 -19.087 -9.252 270 HZ2 TRP 27 HZ2 TRP 27 6.000 -23.982 -9.742 271 HZ3 TRP 27 HZ3 TRP 27 8.226 -20.685 -8.124 272 HH2 TRP 27 HH2 TRP 27 7.879 -23.128 -8.364 Start of MODEL 19 1 1H ARG 1 1H ARG 1 -4.136 22.057 2.543 2 2H ARG 1 2H ARG 1 -5.564 22.970 2.605 3 3H ARG 1 3H ARG 1 -4.859 22.401 4.043 4 HA ARG 1 HA ARG 1 -5.911 20.471 3.914 5 1HB ARG 1 1HB ARG 1 -7.404 22.338 2.482 6 2HB ARG 1 2HB ARG 1 -7.361 20.930 1.420 7 1HG ARG 1 1HG ARG 1 -8.374 19.536 3.025 8 2HG ARG 1 2HG ARG 1 -7.977 20.625 4.354 9 1HD ARG 1 1HD ARG 1 -9.704 21.722 2.190 10 2HD ARG 1 2HD ARG 1 -10.434 20.533 3.269 11 HE ARG 1 HE ARG 1 -10.121 23.200 3.978 12 1HH1 ARG 1 1HH1 ARG 1 -10.460 20.281 5.465 13 2HH1 ARG 1 2HH1 ARG 1 -9.677 20.711 6.950 14 1HH2 ARG 1 1HH2 ARG 1 -8.456 23.724 5.739 15 2HH2 ARG 1 2HH2 ARG 1 -8.543 22.660 7.105 16 H LYS 2 H LYS 2 -3.890 19.344 3.346 17 HA LYS 2 HA LYS 2 -3.373 18.734 0.532 18 1HB LYS 2 1HB LYS 2 -2.105 18.107 3.156 19 2HB LYS 2 2HB LYS 2 -1.811 16.981 1.830 20 1HG LYS 2 1HG LYS 2 -1.504 19.473 0.637 21 2HG LYS 2 2HG LYS 2 -0.773 19.684 2.229 22 1HD LYS 2 1HD LYS 2 0.713 17.832 1.891 23 2HD LYS 2 2HD LYS 2 -0.147 17.331 0.434 24 1HE LYS 2 1HE LYS 2 0.516 19.967 -0.110 25 2HE LYS 2 2HE LYS 2 1.930 19.372 0.760 26 1HZ LYS 2 1HZ LYS 2 0.711 17.797 -1.416 27 2HZ LYS 2 2HZ LYS 2 1.825 19.028 -1.757 28 3HZ LYS 2 3HZ LYS 2 2.288 17.708 -0.791 29 H LYS 3 H LYS 3 -5.989 17.963 1.126 30 HA LYS 3 HA LYS 3 -6.025 15.154 1.814 31 1HB LYS 3 1HB LYS 3 -8.335 15.336 1.812 32 2HB LYS 3 2HB LYS 3 -7.889 17.017 2.094 33 1HG LYS 3 1HG LYS 3 -8.112 17.513 -0.290 34 2HG LYS 3 2HG LYS 3 -8.471 15.820 -0.632 35 1HD LYS 3 1HD LYS 3 -10.577 15.922 0.365 36 2HD LYS 3 2HD LYS 3 -10.142 17.304 1.373 37 1HE LYS 3 1HE LYS 3 -9.896 17.955 -1.446 38 2HE LYS 3 2HE LYS 3 -11.522 17.386 -1.068 39 1HZ LYS 3 1HZ LYS 3 -10.103 19.447 0.524 40 2HZ LYS 3 2HZ LYS 3 -11.156 19.819 -0.757 41 3HZ LYS 3 3HZ LYS 3 -11.744 19.014 0.616 42 H LEU 4 H LEU 4 -4.634 16.349 -0.632 43 HA LEU 4 HA LEU 4 -5.933 14.850 -2.799 44 1HB LEU 4 1HB LEU 4 -4.803 17.165 -3.067 45 2HB LEU 4 2HB LEU 4 -3.281 16.274 -2.991 46 HG LEU 4 HG LEU 4 -3.984 16.558 -5.329 47 1HD1 LEU 4 1HD1 LEU 4 -2.892 14.401 -4.445 48 2HD1 LEU 4 2HD1 LEU 4 -4.498 13.680 -4.562 49 3HD1 LEU 4 3HD1 LEU 4 -3.702 14.297 -6.009 50 1HD2 LEU 4 1HD2 LEU 4 -6.505 16.502 -4.497 51 2HD2 LEU 4 2HD2 LEU 4 -6.088 15.971 -6.127 52 3HD2 LEU 4 3HD2 LEU 4 -6.352 14.781 -4.853 53 H GLU 5 H GLU 5 -2.605 15.050 -1.508 54 HA GLU 5 HA GLU 5 -1.864 12.459 -2.492 55 1HB GLU 5 1HB GLU 5 -0.692 14.219 -0.320 56 2HB GLU 5 2HB GLU 5 0.085 12.763 -0.945 57 1HG GLU 5 1HG GLU 5 -0.785 14.584 -3.065 58 2HG GLU 5 2HG GLU 5 0.392 15.317 -1.974 59 H GLU 6 H GLU 6 -3.284 13.700 0.463 60 HA GLU 6 HA GLU 6 -2.937 11.430 2.137 61 1HB GLU 6 1HB GLU 6 -4.478 13.881 2.149 62 2HB GLU 6 2HB GLU 6 -5.466 12.540 2.727 63 1HG GLU 6 1HG GLU 6 -3.116 12.028 4.013 64 2HG GLU 6 2HG GLU 6 -3.085 13.790 3.955 65 H LEU 7 H LEU 7 -5.825 12.338 0.208 66 HA LEU 7 HA LEU 7 -7.162 9.855 0.575 67 1HB LEU 7 1HB LEU 7 -7.375 12.108 -1.395 68 2HB LEU 7 2HB LEU 7 -8.287 10.623 -1.673 69 HG LEU 7 HG LEU 7 -9.428 12.507 -0.306 70 1HD1 LEU 7 1HD1 LEU 7 -9.228 9.596 0.433 71 2HD1 LEU 7 2HD1 LEU 7 -10.260 10.674 1.373 72 3HD1 LEU 7 3HD1 LEU 7 -10.556 10.450 -0.351 73 1HD2 LEU 7 1HD2 LEU 7 -7.443 12.908 1.154 74 2HD2 LEU 7 2HD2 LEU 7 -8.888 12.508 2.082 75 3HD2 LEU 7 3HD2 LEU 7 -7.641 11.289 1.824 76 H GLU 8 H GLU 8 -4.944 10.982 -1.978 77 HA GLU 8 HA GLU 8 -5.117 8.928 -3.829 78 1HB GLU 8 1HB GLU 8 -2.681 10.330 -2.709 79 2HB GLU 8 2HB GLU 8 -2.558 9.153 -4.016 80 1HG GLU 8 1HG GLU 8 -4.684 10.904 -4.696 81 2HG GLU 8 2HG GLU 8 -3.343 11.917 -4.163 82 H ARG 9 H ARG 9 -3.654 8.837 -0.627 83 HA ARG 9 HA ARG 9 -2.629 6.145 -0.902 84 1HB ARG 9 1HB ARG 9 -2.887 8.165 1.259 85 2HB ARG 9 2HB ARG 9 -2.835 6.478 1.775 86 1HG ARG 9 1HG ARG 9 -0.821 6.401 0.016 87 2HG ARG 9 2HG ARG 9 -0.732 8.113 0.430 88 1HD ARG 9 1HD ARG 9 -0.995 7.067 2.907 89 2HD ARG 9 2HD ARG 9 -0.167 5.730 2.108 90 HE ARG 9 HE ARG 9 1.075 8.327 1.607 91 1HH1 ARG 9 1HH1 ARG 9 1.796 5.232 2.366 92 2HH1 ARG 9 2HH1 ARG 9 2.939 5.573 3.621 93 1HH2 ARG 9 1HH2 ARG 9 2.135 8.941 3.801 94 2HH2 ARG 9 2HH2 ARG 9 3.131 7.675 4.435 95 H ASP 10 H ASP 10 -5.514 7.636 0.529 96 HA ASP 10 HA ASP 10 -6.712 5.373 1.682 97 1HB ASP 10 1HB ASP 10 -7.480 7.949 1.347 98 2HB ASP 10 2HB ASP 10 -8.521 7.167 0.158 99 H LEU 11 H LEU 11 -6.503 6.300 -1.722 100 HA LEU 11 HA LEU 11 -8.428 4.395 -2.675 101 1HB LEU 11 1HB LEU 11 -7.739 5.025 -4.816 102 2HB LEU 11 2HB LEU 11 -7.295 6.446 -3.871 103 HG LEU 11 HG LEU 11 -5.026 5.060 -3.570 104 1HD1 LEU 11 1HD1 LEU 11 -6.160 4.143 -6.228 105 2HD1 LEU 11 2HD1 LEU 11 -4.484 3.930 -5.722 106 3HD1 LEU 11 3HD1 LEU 11 -5.779 3.114 -4.847 107 1HD2 LEU 11 1HD2 LEU 11 -5.569 7.350 -4.695 108 2HD2 LEU 11 2HD2 LEU 11 -4.077 6.524 -5.146 109 3HD2 LEU 11 3HD2 LEU 11 -5.484 6.444 -6.205 110 H ARG 12 H ARG 12 -4.993 4.287 -1.981 111 HA ARG 12 HA ARG 12 -4.690 1.581 -3.023 112 1HB ARG 12 1HB ARG 12 -2.964 3.728 -2.009 113 2HB ARG 12 2HB ARG 12 -2.448 2.115 -1.517 114 1HG ARG 12 1HG ARG 12 -2.918 1.544 -4.059 115 2HG ARG 12 2HG ARG 12 -2.670 3.277 -4.268 116 1HD ARG 12 1HD ARG 12 -0.535 2.890 -2.807 117 2HD ARG 12 2HD ARG 12 -0.735 1.201 -3.275 118 HE ARG 12 HE ARG 12 -0.049 1.781 -5.460 119 1HH1 ARG 12 1HH2 ARG 12 1.377 4.085 -4.006 120 2HH1 ARG 12 2HH2 ARG 12 0.921 5.426 -5.002 121 1HH2 ARG 12 1HH1 ARG 12 -1.642 3.714 -6.592 122 2HH2 ARG 12 2HH1 ARG 12 -0.789 5.217 -6.466 123 H LYS 13 H LYS 13 -5.688 3.061 -0.114 124 HA LYS 13 HA LYS 13 -4.769 1.233 1.845 125 1HB LYS 13 1HB LYS 13 -6.493 3.439 1.777 126 2HB LYS 13 2HB LYS 13 -7.496 2.104 2.348 127 1HG LYS 13 1HG LYS 13 -6.533 2.250 4.373 128 2HG LYS 13 2HG LYS 13 -4.964 1.901 3.646 129 1HD LYS 13 1HD LYS 13 -4.420 4.163 3.407 130 2HD LYS 13 2HD LYS 13 -6.108 4.674 3.459 131 1HE LYS 13 1HE LYS 13 -5.860 3.498 5.907 132 2HE LYS 13 2HE LYS 13 -4.233 4.139 5.682 133 1HZ LYS 13 1HZ LYS 13 -6.242 5.999 4.876 134 2HZ LYS 13 2HZ LYS 13 -6.429 5.544 6.502 135 3HZ LYS 13 3HZ LYS 13 -4.959 6.203 5.972 136 H LEU 14 H LEU 14 -7.424 1.002 -0.463 137 HA LEU 14 HA LEU 14 -8.567 -1.357 0.775 138 1HB LEU 14 1HB LEU 14 -9.007 0.151 -1.781 139 2HB LEU 14 2HB LEU 14 -9.676 -1.473 -1.609 140 HG LEU 14 HG LEU 14 -10.360 -0.335 0.793 141 1HD1 LEU 14 1HD1 LEU 14 -9.875 1.798 -1.162 142 2HD1 LEU 14 2HD1 LEU 14 -11.503 1.836 -0.485 143 3HD1 LEU 14 3HD1 LEU 14 -10.101 1.905 0.583 144 1HD2 LEU 14 1HD2 LEU 14 -11.623 -1.363 -1.493 145 2HD2 LEU 14 2HD2 LEU 14 -12.390 -0.994 0.053 146 3HD2 LEU 14 3HD2 LEU 14 -12.374 0.211 -1.235 147 H LYS 15 H LYS 15 -7.157 -0.978 -2.482 148 HA LYS 15 HA LYS 15 -6.692 -3.582 -3.180 149 1HB LYS 15 1HB LYS 15 -5.499 -1.048 -3.851 150 2HB LYS 15 2HB LYS 15 -4.242 -2.280 -3.762 151 1HG LYS 15 1HG LYS 15 -4.940 -2.590 -5.946 152 2HG LYS 15 2HG LYS 15 -6.028 -3.705 -5.122 153 1HD LYS 15 1HD LYS 15 -7.315 -1.226 -4.958 154 2HD LYS 15 2HD LYS 15 -6.662 -1.280 -6.596 155 1HE LYS 15 1HE LYS 15 -7.665 -3.844 -6.212 156 2HE LYS 15 2HE LYS 15 -8.861 -2.811 -5.430 157 1HZ LYS 15 1HZ LYS 15 -7.942 -1.773 -7.941 158 2HZ LYS 15 2HZ LYS 15 -8.689 -3.291 -8.094 159 3HZ LYS 15 3HZ LYS 15 -9.528 -2.001 -7.378 160 H LYS 16 H LYS 16 -5.062 -1.803 -0.656 161 HA LYS 16 HA LYS 16 -2.812 -3.491 -0.273 162 1HB LYS 16 1HB LYS 16 -4.225 -1.429 1.240 163 2HB LYS 16 2HB LYS 16 -3.556 -2.684 2.284 164 1HG LYS 16 1HG LYS 16 -1.946 -1.339 0.103 165 2HG LYS 16 2HG LYS 16 -1.985 -0.749 1.764 166 1HD LYS 16 1HD LYS 16 -0.412 -2.256 2.316 167 2HD LYS 16 2HD LYS 16 -1.532 -3.550 1.892 168 1HE LYS 16 1HE LYS 16 -0.689 -3.750 -0.281 169 2HE LYS 16 2HE LYS 16 -0.015 -2.120 -0.274 170 1HZ LYS 16 1HZ LYS 16 0.967 -4.346 1.425 171 2HZ LYS 16 2HZ LYS 16 1.674 -3.885 -0.047 172 3HZ LYS 16 3HZ LYS 16 1.661 -2.804 1.265 173 H LYS 17 H LYS 17 -5.998 -3.592 1.345 174 HA LYS 17 HA LYS 17 -5.390 -6.181 2.542 175 1HB LYS 17 1HB LYS 17 -7.198 -4.078 3.057 176 2HB LYS 17 2HB LYS 17 -8.184 -5.484 2.656 177 1HG LYS 17 1HG LYS 17 -6.880 -6.827 4.306 178 2HG LYS 17 2HG LYS 17 -5.998 -5.366 4.755 179 1HD LYS 17 1HD LYS 17 -7.975 -5.939 6.249 180 2HD LYS 17 2HD LYS 17 -7.992 -4.310 5.572 181 1HE LYS 17 1HE LYS 17 -9.786 -4.745 4.217 182 2HE LYS 17 2HE LYS 17 -9.294 -6.416 3.932 183 1HZ LYS 17 1HZ LYS 17 -10.274 -5.529 6.576 184 2HZ LYS 17 2HZ LYS 17 -11.352 -6.010 5.353 185 3HZ LYS 17 3HZ LYS 17 -10.200 -7.105 5.944 186 H ILE 18 H ILE 18 -7.645 -4.992 0.035 187 HA ILE 18 HA ILE 18 -8.913 -7.428 -0.530 188 HB ILE 18 HB ILE 18 -9.969 -5.751 -1.648 189 1HG1 ILE 18 1HG1 ILE 18 -7.812 -6.530 -3.620 190 2HG1 ILE 18 2HG1 ILE 18 -9.436 -7.210 -3.488 191 1HG2 ILE 18 1HG2 ILE 18 -7.250 -4.516 -1.713 192 2HG2 ILE 18 2HG2 ILE 18 -8.499 -3.887 -2.786 193 3HG2 ILE 18 3HG2 ILE 18 -8.751 -3.880 -1.042 194 1HD1 ILE 18 1HD1 ILE 18 -9.677 -4.372 -3.765 195 2HD1 ILE 18 2HD1 ILE 18 -8.591 -4.955 -5.027 196 3HD1 ILE 18 3HD1 ILE 18 -10.217 -5.623 -4.885 197 H LYS 19 H LYS 19 -6.015 -6.017 -2.104 198 HA LYS 19 HA LYS 19 -5.551 -8.283 -3.786 199 1HB LYS 19 1HB LYS 19 -3.807 -6.045 -2.778 200 2HB LYS 19 2HB LYS 19 -3.133 -7.348 -3.750 201 1HG LYS 19 1HG LYS 19 -5.369 -6.704 -5.194 202 2HG LYS 19 2HG LYS 19 -4.898 -5.127 -4.556 203 1HD LYS 19 1HD LYS 19 -2.632 -6.716 -5.545 204 2HD LYS 19 2HD LYS 19 -3.809 -6.311 -6.796 205 1HE LYS 19 1HE LYS 19 -3.276 -4.106 -6.747 206 2HE LYS 19 2HE LYS 19 -3.192 -4.076 -4.986 207 1HZ LYS 19 1HZ LYS 19 -1.098 -5.350 -6.644 208 2HZ LYS 19 2HZ LYS 19 -1.042 -3.707 -6.226 209 3HZ LYS 19 3HZ LYS 19 -1.012 -4.893 -5.010 210 H LYS 20 H LYS 20 -4.870 -7.613 -0.442 211 HA LYS 20 HA LYS 20 -2.830 -9.593 -0.046 212 1HB LYS 20 1HB LYS 20 -4.514 -7.862 1.630 213 2HB LYS 20 2HB LYS 20 -4.134 -9.412 2.380 214 1HG LYS 20 1HG LYS 20 -1.816 -8.218 1.051 215 2HG LYS 20 2HG LYS 20 -2.468 -7.191 2.329 216 1HD LYS 20 1HD LYS 20 -2.237 -8.912 3.967 217 2HD LYS 20 2HD LYS 20 -1.940 -10.141 2.738 218 1HE LYS 20 1HE LYS 20 0.255 -9.760 3.186 219 2HE LYS 20 2HE LYS 20 0.040 -8.323 2.187 220 1HZ LYS 20 1HZ LYS 20 -0.891 -7.715 4.738 221 2HZ LYS 20 2HZ LYS 20 0.611 -8.479 4.935 222 3HZ LYS 20 3HZ LYS 20 0.485 -7.098 3.956 223 H LEU 21 H LEU 21 -6.333 -9.667 0.722 224 HA LEU 21 HA LEU 21 -6.373 -12.430 1.410 225 1HB LEU 21 1HB LEU 21 -8.708 -12.205 1.489 226 2HB LEU 21 2HB LEU 21 -8.139 -10.567 1.810 227 HG LEU 21 HG LEU 21 -8.308 -10.293 -0.793 228 1HD1 LEU 21 1HD1 LEU 21 -9.671 -12.868 -0.236 229 2HD1 LEU 21 2HD1 LEU 21 -10.545 -11.751 -1.287 230 3HD1 LEU 21 3HD1 LEU 21 -8.924 -12.290 -1.726 231 1HD2 LEU 21 1HD2 LEU 21 -10.673 -10.414 1.096 232 2HD2 LEU 21 2HD2 LEU 21 -9.675 -9.008 0.728 233 3HD2 LEU 21 3HD2 LEU 21 -10.742 -9.679 -0.505 234 H GLU 22 H GLU 22 -6.833 -10.733 -1.650 235 HA GLU 22 HA GLU 22 -7.701 -12.975 -3.187 236 1HB GLU 22 1HB GLU 22 -6.576 -10.289 -3.755 237 2HB GLU 22 2HB GLU 22 -6.378 -11.492 -5.031 238 1HG GLU 22 1HG GLU 22 -9.058 -11.258 -3.724 239 2HG GLU 22 2HG GLU 22 -8.584 -10.008 -4.874 240 H GLU 23 H GLU 23 -4.496 -11.841 -2.243 241 HA GLU 23 HA GLU 23 -3.109 -13.717 -3.973 242 1HB GLU 23 1HB GLU 23 -2.039 -11.606 -3.329 243 2HB GLU 23 2HB GLU 23 -2.117 -12.072 -1.629 244 1HG GLU 23 1HG GLU 23 -0.594 -13.897 -1.969 245 2HG GLU 23 2HG GLU 23 -0.685 -13.725 -3.722 246 H ASP 24 H ASP 24 -4.105 -13.619 -0.579 247 HA ASP 24 HA ASP 24 -2.695 -16.107 0.058 248 1HB ASP 24 1HB ASP 24 -2.964 -14.530 1.855 249 2HB ASP 24 2HB ASP 24 -4.704 -14.425 1.576 250 H ASN 25 H ASN 25 -5.701 -15.270 -1.361 251 HA ASN 25 HA ASN 25 -6.872 -17.918 -0.654 252 1HB ASN 25 1HB ASN 25 -7.963 -15.276 -1.362 253 2HB ASN 25 2HB ASN 25 -8.760 -16.619 -2.181 254 1HD2 ASN 25 2HD2 ASN 25 -10.267 -15.246 -0.291 255 2HD2 ASN 25 1HD2 ASN 25 -10.458 -16.189 1.107 256 HA PRO 26 HA PRO 26 -6.304 -19.514 -4.697 257 1HB PRO 26 1HB PRO 26 -8.689 -20.821 -5.116 258 2HB PRO 26 2HB PRO 26 -7.432 -21.405 -4.010 259 1HG PRO 26 1HG PRO 26 -10.038 -20.100 -3.370 260 2HG PRO 26 2HG PRO 26 -9.083 -21.235 -2.401 261 1HD PRO 26 1HD PRO 26 -9.200 -18.433 -2.026 262 2HD PRO 26 2HD PRO 26 -8.004 -19.533 -1.307 263 H TRP 27 H TRP 27 -9.808 -18.862 -4.843 264 HA TRP 27 HA TRP 27 -9.303 -16.815 -6.946 265 1HB TRP 27 1HB TRP 27 -11.333 -19.048 -7.233 266 2HB TRP 27 2HB TRP 27 -10.933 -17.817 -8.431 267 HD1 TRP 27 HD1 TRP 27 -8.188 -17.824 -9.134 268 HE1 TRP 27 HE1 TRP 27 -6.735 -19.880 -9.685 269 HE3 TRP 27 HE3 TRP 27 -10.961 -21.490 -6.905 270 HZ2 TRP 27 HZ2 TRP 27 -6.745 -22.706 -9.242 271 HZ3 TRP 27 HZ3 TRP 27 -10.215 -23.853 -6.986 272 HH2 TRP 27 HH2 TRP 27 -8.114 -24.465 -8.150 Start of MODEL 20 1 1H ARG 1 1H ARG 1 -5.272 22.438 1.334 2 2H ARG 1 2H ARG 1 -6.664 23.221 1.913 3 3H ARG 1 3H ARG 1 -5.756 22.232 2.951 4 HA ARG 1 HA ARG 1 -7.305 20.699 2.459 5 1HB ARG 1 1HB ARG 1 -7.720 22.396 -0.001 6 2HB ARG 1 2HB ARG 1 -8.473 20.807 0.146 7 1HG ARG 1 1HG ARG 1 -9.057 21.893 2.586 8 2HG ARG 1 2HG ARG 1 -9.101 23.326 1.557 9 1HD ARG 1 1HD ARG 1 -11.107 22.704 0.757 10 2HD ARG 1 2HD ARG 1 -10.415 21.192 0.174 11 HE ARG 1 HE ARG 1 -11.748 20.246 1.872 12 1HH1 ARG 1 1HH2 ARG 1 -12.938 22.672 3.016 13 2HH1 ARG 1 2HH2 ARG 1 -12.271 22.728 4.613 14 1HH2 ARG 1 1HH1 ARG 1 -9.702 20.513 3.907 15 2HH2 ARG 1 2HH1 ARG 1 -10.440 21.507 5.116 16 H LYS 2 H LYS 2 -4.918 19.809 2.387 17 HA LYS 2 HA LYS 2 -4.097 18.919 -0.304 18 1HB LYS 2 1HB LYS 2 -2.167 17.932 0.850 19 2HB LYS 2 2HB LYS 2 -2.386 19.608 1.360 20 1HG LYS 2 1HG LYS 2 -2.457 18.881 3.488 21 2HG LYS 2 2HG LYS 2 -3.980 18.076 3.105 22 1HD LYS 2 1HD LYS 2 -3.014 16.043 3.198 23 2HD LYS 2 2HD LYS 2 -1.719 16.548 2.111 24 1HE LYS 2 1HE LYS 2 -0.610 16.011 4.137 25 2HE LYS 2 2HE LYS 2 -0.725 17.771 4.151 26 1HZ LYS 2 1HZ LYS 2 -2.986 16.368 5.294 27 2HZ LYS 2 2HZ LYS 2 -1.532 16.206 6.156 28 3HZ LYS 2 3HZ LYS 2 -2.172 17.749 5.847 29 H LYS 3 H LYS 3 -6.626 17.926 0.415 30 HA LYS 3 HA LYS 3 -6.269 15.218 1.417 31 1HB LYS 3 1HB LYS 3 -8.332 16.683 1.836 32 2HB LYS 3 2HB LYS 3 -8.773 16.342 0.163 33 1HG LYS 3 1HG LYS 3 -9.224 14.121 0.587 34 2HG LYS 3 2HG LYS 3 -8.040 14.021 1.891 35 1HD LYS 3 1HD LYS 3 -9.666 14.363 3.406 36 2HD LYS 3 2HD LYS 3 -10.050 15.910 2.653 37 1HE LYS 3 1HE LYS 3 -11.063 13.780 1.003 38 2HE LYS 3 2HE LYS 3 -11.631 13.556 2.658 39 1HZ LYS 3 1HZ LYS 3 -11.813 16.112 1.163 40 2HZ LYS 3 2HZ LYS 3 -13.084 14.993 1.300 41 3HZ LYS 3 3HZ LYS 3 -12.483 15.774 2.684 42 H LEU 4 H LEU 4 -5.137 16.286 -1.183 43 HA LEU 4 HA LEU 4 -6.404 14.505 -3.145 44 1HB LEU 4 1HB LEU 4 -5.556 16.841 -3.732 45 2HB LEU 4 2HB LEU 4 -3.926 16.195 -3.540 46 HG LEU 4 HG LEU 4 -4.855 16.167 -5.918 47 1HD1 LEU 4 1HD1 LEU 4 -3.043 14.605 -4.797 48 2HD1 LEU 4 2HD1 LEU 4 -4.275 13.363 -5.020 49 3HD1 LEU 4 3HD1 LEU 4 -3.646 14.241 -6.413 50 1HD2 LEU 4 1HD2 LEU 4 -7.125 15.248 -4.855 51 2HD2 LEU 4 2HD2 LEU 4 -6.630 14.785 -6.483 52 3HD2 LEU 4 3HD2 LEU 4 -6.344 13.692 -5.129 53 H GLU 5 H GLU 5 -3.033 15.087 -2.106 54 HA GLU 5 HA GLU 5 -2.169 12.457 -2.878 55 1HB GLU 5 1HB GLU 5 -0.947 14.524 -1.025 56 2HB GLU 5 2HB GLU 5 -0.116 13.078 -1.598 57 1HG GLU 5 1HG GLU 5 -1.251 14.401 -3.861 58 2HG GLU 5 2HG GLU 5 -0.368 15.598 -2.912 59 H GLU 6 H GLU 6 -3.255 13.984 0.117 60 HA GLU 6 HA GLU 6 -2.638 11.940 1.959 61 1HB GLU 6 1HB GLU 6 -4.377 14.258 1.855 62 2HB GLU 6 2HB GLU 6 -5.178 12.926 2.686 63 1HG GLU 6 1HG GLU 6 -2.951 12.642 3.969 64 2HG GLU 6 2HG GLU 6 -2.557 14.252 3.369 65 H LEU 7 H LEU 7 -5.609 12.351 0.004 66 HA LEU 7 HA LEU 7 -6.751 9.870 0.867 67 1HB LEU 7 1HB LEU 7 -7.508 12.030 -0.826 68 2HB LEU 7 2HB LEU 7 -7.672 10.541 -1.758 69 HG LEU 7 HG LEU 7 -8.977 11.260 0.863 70 1HD1 LEU 7 1HD1 LEU 7 -9.940 11.684 -1.534 71 2HD1 LEU 7 2HD1 LEU 7 -10.234 9.946 -1.533 72 3HD1 LEU 7 3HD1 LEU 7 -10.985 10.969 -0.308 73 1HD2 LEU 7 1HD2 LEU 7 -8.082 8.627 -0.102 74 2HD2 LEU 7 2HD2 LEU 7 -8.607 9.110 1.511 75 3HD2 LEU 7 3HD2 LEU 7 -9.801 8.687 0.284 76 H GLU 8 H GLU 8 -4.736 10.775 -1.936 77 HA GLU 8 HA GLU 8 -4.873 8.465 -3.467 78 1HB GLU 8 1HB GLU 8 -2.987 9.247 -4.478 79 2HB GLU 8 2HB GLU 8 -3.176 10.631 -3.407 80 1HG GLU 8 1HG GLU 8 -1.696 9.605 -1.759 81 2HG GLU 8 2HG GLU 8 -1.568 8.150 -2.744 82 H ARG 9 H ARG 9 -3.396 8.921 -0.325 83 HA ARG 9 HA ARG 9 -2.102 6.336 -0.235 84 1HB ARG 9 1HB ARG 9 -2.598 8.596 1.620 85 2HB ARG 9 2HB ARG 9 -2.436 7.011 2.376 86 1HG ARG 9 1HG ARG 9 -0.397 7.092 0.456 87 2HG ARG 9 2HG ARG 9 -0.382 8.694 1.197 88 1HD ARG 9 1HD ARG 9 -0.447 7.522 3.452 89 2HD ARG 9 2HD ARG 9 -0.141 6.018 2.584 90 HE ARG 9 HE ARG 9 2.084 6.752 2.169 91 1HH1 ARG 9 1HH1 ARG 9 1.451 9.542 1.287 92 2HH1 ARG 9 2HH1 ARG 9 2.153 10.492 2.552 93 1HH2 ARG 9 1HH2 ARG 9 2.406 7.838 4.768 94 2HH2 ARG 9 2HH2 ARG 9 2.689 9.530 4.524 95 H ASP 10 H ASP 10 -5.159 7.706 0.957 96 HA ASP 10 HA ASP 10 -6.092 5.365 2.293 97 1HB ASP 10 1HB ASP 10 -7.148 7.944 1.515 98 2HB ASP 10 2HB ASP 10 -8.342 6.680 1.215 99 H LEU 11 H LEU 11 -5.862 6.154 -1.088 100 HA LEU 11 HA LEU 11 -7.865 4.286 -2.001 101 1HB LEU 11 1HB LEU 11 -7.252 4.938 -4.131 102 2HB LEU 11 2HB LEU 11 -6.613 6.307 -3.224 103 HG LEU 11 HG LEU 11 -4.443 4.862 -3.050 104 1HD1 LEU 11 1HD1 LEU 11 -6.102 3.121 -4.525 105 2HD1 LEU 11 2HD1 LEU 11 -4.914 3.741 -5.672 106 3HD1 LEU 11 3HD1 LEU 11 -4.379 2.929 -4.200 107 1HD2 LEU 11 1HD2 LEU 11 -5.502 6.397 -5.398 108 2HD2 LEU 11 2HD2 LEU 11 -4.205 6.823 -4.281 109 3HD2 LEU 11 3HD2 LEU 11 -3.927 5.615 -5.534 110 H ARG 12 H ARG 12 -4.401 4.170 -1.392 111 HA ARG 12 HA ARG 12 -4.046 1.488 -2.407 112 1HB ARG 12 1HB ARG 12 -2.425 3.514 -0.963 113 2HB ARG 12 2HB ARG 12 -1.952 1.832 -0.724 114 1HG ARG 12 1HG ARG 12 -1.754 1.501 -3.134 115 2HG ARG 12 2HG ARG 12 -2.351 3.134 -3.433 116 1HD ARG 12 1HD ARG 12 -0.180 3.337 -1.595 117 2HD ARG 12 2HD ARG 12 0.339 2.300 -2.924 118 HE ARG 12 HE ARG 12 -1.000 4.760 -3.785 119 1HH1 ARG 12 1HH1 ARG 12 1.226 3.117 -5.156 120 2HH1 ARG 12 2HH1 ARG 12 2.545 4.234 -5.057 121 1HH2 ARG 12 1HH2 ARG 12 1.013 6.248 -2.688 122 2HH2 ARG 12 2HH2 ARG 12 2.426 6.004 -3.658 123 H LYS 13 H LYS 13 -5.120 2.919 0.555 124 HA LYS 13 HA LYS 13 -4.555 0.869 2.417 125 1HB LYS 13 1HB LYS 13 -5.464 3.045 3.089 126 2HB LYS 13 2HB LYS 13 -6.974 2.690 2.249 127 1HG LYS 13 1HG LYS 13 -7.360 0.765 3.740 128 2HG LYS 13 2HG LYS 13 -5.845 1.108 4.578 129 1HD LYS 13 1HD LYS 13 -6.722 3.363 5.172 130 2HD LYS 13 2HD LYS 13 -8.258 2.938 4.416 131 1HE LYS 13 1HE LYS 13 -8.915 1.914 6.308 132 2HE LYS 13 2HE LYS 13 -7.532 0.823 6.201 133 1HZ LYS 13 1HZ LYS 13 -6.347 3.026 7.084 134 2HZ LYS 13 2HZ LYS 13 -7.879 3.229 7.789 135 3HZ LYS 13 3HZ LYS 13 -6.975 1.832 8.117 136 H LEU 14 H LEU 14 -6.985 1.063 -0.109 137 HA LEU 14 HA LEU 14 -8.508 -1.203 0.884 138 1HB LEU 14 1HB LEU 14 -8.597 0.594 -1.481 139 2HB LEU 14 2HB LEU 14 -9.272 -1.021 -1.700 140 HG LEU 14 HG LEU 14 -10.669 -0.676 0.336 141 1HD1 LEU 14 1HD1 LEU 14 -8.883 1.484 0.725 142 2HD1 LEU 14 2HD1 LEU 14 -10.463 2.203 0.419 143 3HD1 LEU 14 3HD1 LEU 14 -10.261 1.044 1.733 144 1HD2 LEU 14 1HD2 LEU 14 -10.855 0.893 -2.162 145 2HD2 LEU 14 2HD2 LEU 14 -12.050 -0.157 -1.402 146 3HD2 LEU 14 3HD2 LEU 14 -11.848 1.501 -0.838 147 H LYS 15 H LYS 15 -6.818 -0.819 -2.233 148 HA LYS 15 HA LYS 15 -6.559 -3.439 -3.007 149 1HB LYS 15 1HB LYS 15 -5.603 -1.351 -4.147 150 2HB LYS 15 2HB LYS 15 -4.186 -1.571 -3.120 151 1HG LYS 15 1HG LYS 15 -3.677 -3.679 -4.082 152 2HG LYS 15 2HG LYS 15 -5.277 -3.821 -4.812 153 1HD LYS 15 1HD LYS 15 -4.396 -1.478 -5.917 154 2HD LYS 15 2HD LYS 15 -2.889 -2.385 -5.783 155 1HE LYS 15 1HE LYS 15 -3.482 -3.799 -7.441 156 2HE LYS 15 2HE LYS 15 -5.087 -4.045 -6.751 157 1HZ LYS 15 1HZ LYS 15 -4.292 -1.635 -8.287 158 2HZ LYS 15 2HZ LYS 15 -5.097 -2.967 -8.962 159 3HZ LYS 15 3HZ LYS 15 -5.853 -2.041 -7.754 160 H LYS 16 H LYS 16 -4.983 -1.920 -0.303 161 HA LYS 16 HA LYS 16 -2.859 -3.759 0.113 162 1HB LYS 16 1HB LYS 16 -4.362 -1.813 1.770 163 2HB LYS 16 2HB LYS 16 -3.551 -3.104 2.657 164 1HG LYS 16 1HG LYS 16 -1.796 -2.119 0.598 165 2HG LYS 16 2HG LYS 16 -2.381 -0.764 1.565 166 1HD LYS 16 1HD LYS 16 -1.680 -1.888 3.622 167 2HD LYS 16 2HD LYS 16 -1.170 -3.302 2.700 168 1HE LYS 16 1HE LYS 16 0.859 -2.200 2.896 169 2HE LYS 16 2HE LYS 16 0.274 -1.500 1.385 170 1HZ LYS 16 1HZ LYS 16 -0.556 -0.199 3.858 171 2HZ LYS 16 2HZ LYS 16 1.072 -0.027 3.418 172 3HZ LYS 16 3HZ LYS 16 -0.152 0.480 2.354 173 H LYS 17 H LYS 17 -6.162 -3.775 1.477 174 HA LYS 17 HA LYS 17 -5.774 -6.480 2.512 175 1HB LYS 17 1HB LYS 17 -7.594 -4.293 2.978 176 2HB LYS 17 2HB LYS 17 -8.501 -5.773 2.669 177 1HG LYS 17 1HG LYS 17 -6.859 -6.892 4.328 178 2HG LYS 17 2HG LYS 17 -6.451 -5.246 4.818 179 1HD LYS 17 1HD LYS 17 -8.746 -4.783 5.421 180 2HD LYS 17 2HD LYS 17 -9.281 -6.326 4.750 181 1HE LYS 17 1HE LYS 17 -7.643 -7.409 6.426 182 2HE LYS 17 2HE LYS 17 -7.624 -5.836 7.224 183 1HZ LYS 17 1HZ LYS 17 -10.214 -6.132 6.969 184 2HZ LYS 17 2HZ LYS 17 -9.795 -7.779 6.982 185 3HZ LYS 17 3HZ LYS 17 -9.372 -6.780 8.291 186 H ILE 18 H ILE 18 -7.848 -4.927 0.041 187 HA ILE 18 HA ILE 18 -9.191 -7.241 -0.824 188 HB ILE 18 HB ILE 18 -10.129 -5.381 -1.768 189 1HG1 ILE 18 1HG1 ILE 18 -7.991 -6.131 -3.771 190 2HG1 ILE 18 2HG1 ILE 18 -9.660 -6.703 -3.723 191 1HG2 ILE 18 1HG2 ILE 18 -7.343 -4.325 -1.647 192 2HG2 ILE 18 2HG2 ILE 18 -8.482 -3.544 -2.741 193 3HG2 ILE 18 3HG2 ILE 18 -8.837 -3.629 -1.017 194 1HD1 ILE 18 1HD1 ILE 18 -10.016 -3.986 -3.794 195 2HD1 ILE 18 2HD1 ILE 18 -8.566 -4.172 -4.778 196 3HD1 ILE 18 3HD1 ILE 18 -10.045 -5.024 -5.217 197 H LYS 19 H LYS 19 -6.156 -5.804 -2.056 198 HA LYS 19 HA LYS 19 -5.709 -7.924 -3.953 199 1HB LYS 19 1HB LYS 19 -4.641 -5.627 -4.043 200 2HB LYS 19 2HB LYS 19 -3.611 -6.130 -2.701 201 1HG LYS 19 1HG LYS 19 -3.505 -8.210 -4.623 202 2HG LYS 19 2HG LYS 19 -3.306 -6.696 -5.507 203 1HD LYS 19 1HD LYS 19 -1.731 -6.266 -3.296 204 2HD LYS 19 2HD LYS 19 -1.498 -7.993 -3.575 205 1HE LYS 19 1HE LYS 19 0.099 -6.415 -4.815 206 2HE LYS 19 2HE LYS 19 -0.716 -7.635 -5.794 207 1HZ LYS 19 1HZ LYS 19 -2.177 -5.163 -5.493 208 2HZ LYS 19 2HZ LYS 19 -0.708 -5.003 -6.330 209 3HZ LYS 19 3HZ LYS 19 -1.889 -6.092 -6.883 210 H LYS 20 H LYS 20 -5.405 -7.721 -0.571 211 HA LYS 20 HA LYS 20 -3.247 -9.631 -0.270 212 1HB LYS 20 1HB LYS 20 -4.598 -7.860 1.416 213 2HB LYS 20 2HB LYS 20 -5.056 -9.459 2.004 214 1HG LYS 20 1HG LYS 20 -2.183 -9.031 1.330 215 2HG LYS 20 2HG LYS 20 -2.792 -8.258 2.794 216 1HD LYS 20 1HD LYS 20 -2.682 -10.225 3.875 217 2HD LYS 20 2HD LYS 20 -3.828 -10.915 2.726 218 1HE LYS 20 1HE LYS 20 -1.154 -10.652 1.584 219 2HE LYS 20 2HE LYS 20 -1.165 -11.669 3.023 220 1HZ LYS 20 1HZ LYS 20 -3.391 -12.203 1.324 221 2HZ LYS 20 2HZ LYS 20 -1.919 -12.415 0.503 222 3HZ LYS 20 3HZ LYS 20 -2.220 -13.271 1.935 223 H LEU 21 H LEU 21 -6.804 -9.814 0.177 224 HA LEU 21 HA LEU 21 -6.871 -12.592 0.752 225 1HB LEU 21 1HB LEU 21 -9.256 -12.421 0.215 226 2HB LEU 21 2HB LEU 21 -8.737 -11.033 1.171 227 HG LEU 21 HG LEU 21 -8.290 -10.012 -1.251 228 1HD1 LEU 21 1HD1 LEU 21 -9.256 -12.368 -2.076 229 2HD1 LEU 21 2HD1 LEU 21 -10.789 -11.523 -1.869 230 3HD1 LEU 21 3HD1 LEU 21 -9.568 -10.879 -2.966 231 1HD2 LEU 21 1HD2 LEU 21 -10.871 -10.195 0.305 232 2HD2 LEU 21 2HD2 LEU 21 -9.709 -8.868 0.264 233 3HD2 LEU 21 3HD2 LEU 21 -10.736 -9.186 -1.135 234 H GLU 22 H GLU 22 -7.165 -10.849 -2.347 235 HA GLU 22 HA GLU 22 -7.481 -13.336 -3.829 236 1HB GLU 22 1HB GLU 22 -7.361 -11.861 -5.827 237 2HB GLU 22 2HB GLU 22 -8.557 -11.303 -4.655 238 1HG GLU 22 1HG GLU 22 -7.437 -9.375 -4.286 239 2HG GLU 22 2HG GLU 22 -5.893 -10.215 -4.135 240 H GLU 23 H GLU 23 -4.874 -12.087 -2.312 241 HA GLU 23 HA GLU 23 -2.875 -12.271 -4.390 242 1HB GLU 23 1HB GLU 23 -2.647 -10.977 -2.213 243 2HB GLU 23 2HB GLU 23 -2.405 -12.531 -1.417 244 1HG GLU 23 1HG GLU 23 -0.734 -12.432 -3.744 245 2HG GLU 23 2HG GLU 23 -0.474 -10.964 -2.801 246 H ASP 24 H ASP 24 -4.418 -14.553 -2.254 247 HA ASP 24 HA ASP 24 -2.585 -16.664 -3.319 248 1HB ASP 24 1HB ASP 24 -2.675 -15.975 -0.714 249 2HB ASP 24 2HB ASP 24 -3.993 -17.148 -0.747 250 H ASN 25 H ASN 25 -5.879 -15.770 -2.429 251 HA ASN 25 HA ASN 25 -7.129 -18.286 -2.858 252 1HB ASN 25 1HB ASN 25 -7.992 -15.449 -2.819 253 2HB ASN 25 2HB ASN 25 -9.048 -16.556 -3.696 254 1HD2 ASN 25 2HD2 ASN 25 -10.709 -16.439 -2.010 255 2HD2 ASN 25 1HD2 ASN 25 -10.490 -17.199 -0.509 256 HA PRO 26 HA PRO 26 -6.741 -18.751 -7.215 257 1HB PRO 26 1HB PRO 26 -8.676 -20.680 -7.521 258 2HB PRO 26 2HB PRO 26 -7.071 -21.002 -6.843 259 1HG PRO 26 1HG PRO 26 -9.695 -20.799 -5.440 260 2HG PRO 26 2HG PRO 26 -8.239 -21.694 -4.973 261 1HD PRO 26 1HD PRO 26 -9.077 -19.210 -3.899 262 2HD PRO 26 2HD PRO 26 -7.477 -19.955 -3.687 263 H TRP 27 H TRP 27 -10.210 -19.261 -6.525 264 HA TRP 27 HA TRP 27 -11.225 -18.033 -8.819 265 1HB TRP 27 1HB TRP 27 -12.505 -19.296 -6.988 266 2HB TRP 27 2HB TRP 27 -12.558 -17.764 -6.119 267 HD1 TRP 27 HD1 TRP 27 -14.506 -16.234 -6.687 268 HE1 TRP 27 HE1 TRP 27 -16.208 -16.055 -8.614 269 HE3 TRP 27 HE3 TRP 27 -12.687 -19.841 -9.808 270 HZ2 TRP 27 HZ2 TRP 27 -16.731 -17.282 -11.146 271 HZ3 TRP 27 HZ3 TRP 27 -13.804 -20.317 -11.970 272 HH2 TRP 27 HH2 TRP 27 -15.823 -19.041 -12.641
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