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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6378 |
1iwc ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 5.693 -23.958 -14.577 2 2H MET 1 2HT MET 1 4.796 -25.320 -15.051 3 3H MET 1 3HT MET 1 4.137 -24.207 -13.949 4 HA MET 1 HA MET 1 4.912 -23.392 -16.682 5 1HB MET 1 2HB MET 1 2.605 -23.785 -17.382 6 2HB MET 1 1HB MET 1 3.300 -25.299 -16.802 7 1HG MET 1 2HG MET 1 2.157 -25.134 -14.710 8 2HG MET 1 1HG MET 1 1.702 -23.458 -15.012 9 1HE MET 1 1HE MET 1 1.786 -26.883 -16.077 10 2HE MET 1 2HE MET 1 0.532 -27.140 -17.289 11 3HE MET 1 3HE MET 1 0.131 -27.267 -15.578 12 H GLY 2 H GLY 2 3.831 -21.364 -17.217 13 1HA GLY 2 2HA GLY 2 3.179 -19.792 -14.767 14 2HA GLY 2 1HA GLY 2 3.755 -19.102 -16.285 15 H LYS 3 H LYS 3 1.304 -18.423 -14.780 16 HA LYS 3 HA LYS 3 -0.802 -19.368 -16.667 17 1HB LYS 3 2HB LYS 3 -0.877 -18.118 -13.922 18 2HB LYS 3 1HB LYS 3 -2.311 -18.152 -14.948 19 1HG LYS 3 2HG LYS 3 -0.702 -20.640 -14.353 20 2HG LYS 3 1HG LYS 3 -2.037 -20.116 -13.326 21 1HD LYS 3 2HD LYS 3 -3.555 -20.161 -15.275 22 2HD LYS 3 1HD LYS 3 -2.223 -20.702 -16.294 23 1HE LYS 3 2HE LYS 3 -2.758 -22.817 -15.734 24 2HE LYS 3 1HE LYS 3 -2.214 -22.451 -14.097 25 1HZ LYS 3 1HZ LYS 3 -4.445 -23.242 -13.994 26 2HZ LYS 3 2HZ LYS 3 -4.959 -22.141 -15.180 27 3HZ LYS 3 3HZ LYS 3 -4.473 -21.581 -13.652 28 H ALA 4 H ALA 4 0.139 -16.308 -15.044 29 HA ALA 4 HA ALA 4 -0.067 -14.889 -17.611 30 1HB ALA 4 1HB ALA 4 -1.674 -13.476 -15.633 31 2HB ALA 4 2HB ALA 4 -2.352 -15.060 -16.009 32 3HB ALA 4 3HB ALA 4 -2.069 -13.893 -17.300 33 H GLU 5 H GLU 5 2.132 -15.307 -15.881 34 HA GLU 5 HA GLU 5 2.560 -13.186 -14.018 35 1HB GLU 5 2HB GLU 5 4.212 -15.202 -15.398 36 2HB GLU 5 1HB GLU 5 5.076 -13.721 -14.981 37 1HG GLU 5 2HG GLU 5 5.067 -14.231 -12.782 38 2HG GLU 5 1HG GLU 5 3.343 -14.608 -12.809 39 H ASN 6 H ASN 6 3.471 -13.471 -17.465 40 HA ASN 6 HA ASN 6 4.459 -10.733 -17.564 41 1HB ASN 6 2HB ASN 6 4.252 -13.022 -19.391 42 2HB ASN 6 1HB ASN 6 3.951 -11.475 -20.183 43 1HD2 ASN 6 1HD2 ASN 6 6.221 -12.535 -17.572 44 2HD2 ASN 6 2HD2 ASN 6 7.598 -11.867 -18.305 45 H TYR 7 H TYR 7 1.376 -12.185 -17.662 46 HA TYR 7 HA TYR 7 0.061 -10.268 -19.393 47 1HB TYR 7 2HB TYR 7 -1.030 -12.375 -19.068 48 2HB TYR 7 1HB TYR 7 -0.953 -12.216 -17.314 49 HD1 TYR 7 1HD TYR 7 -2.555 -10.916 -20.393 50 HD2 TYR 7 2HD TYR 7 -2.550 -10.890 -16.097 51 HE1 TYR 7 1HE TYR 7 -4.750 -9.762 -20.397 52 HE2 TYR 7 2HE TYR 7 -4.746 -9.737 -16.102 53 HH TYR 7 HH TYR 7 -6.649 -9.421 -18.949 54 H GLU 8 H GLU 8 -0.312 -10.736 -15.858 55 HA GLU 8 HA GLU 8 -1.471 -8.171 -15.411 56 1HB GLU 8 2HB GLU 8 -0.435 -10.373 -13.780 57 2HB GLU 8 1HB GLU 8 -0.172 -8.794 -13.037 58 1HG GLU 8 2HG GLU 8 -2.675 -8.371 -13.744 59 2HG GLU 8 1HG GLU 8 -2.757 -10.132 -13.770 60 H LEU 9 H LEU 9 1.916 -9.272 -15.115 61 HA LEU 9 HA LEU 9 3.046 -6.872 -14.161 62 1HB LEU 9 2HB LEU 9 4.353 -8.935 -14.373 63 2HB LEU 9 1HB LEU 9 4.220 -8.860 -16.131 64 HG LEU 9 HG LEU 9 5.193 -6.349 -15.477 65 1HD1 LEU 9 1HD1 LEU 9 5.535 -7.387 -13.138 66 2HD1 LEU 9 2HD1 LEU 9 6.924 -6.587 -13.875 67 3HD1 LEU 9 3HD1 LEU 9 6.809 -8.347 -13.890 68 1HD2 LEU 9 1HD2 LEU 9 5.846 -8.253 -17.210 69 2HD2 LEU 9 2HD2 LEU 9 7.105 -8.594 -16.022 70 3HD2 LEU 9 3HD2 LEU 9 7.010 -7.001 -16.773 71 H TYR 10 H TYR 10 1.911 -7.704 -17.377 72 HA TYR 10 HA TYR 10 3.193 -5.477 -18.718 73 1HB TYR 10 2HB TYR 10 2.301 -7.599 -19.815 74 2HB TYR 10 1HB TYR 10 0.689 -6.915 -19.612 75 HD1 TYR 10 1HD TYR 10 -0.057 -5.020 -20.922 76 HD2 TYR 10 2HD TYR 10 3.957 -6.505 -21.288 77 HE1 TYR 10 1HE TYR 10 0.261 -3.655 -22.968 78 HE2 TYR 10 2HE TYR 10 4.276 -5.139 -23.334 79 HH TYR 10 HH TYR 10 3.383 -3.634 -24.695 80 H GLN 11 H GLN 11 -0.012 -6.008 -17.276 81 HA GLN 11 HA GLN 11 -1.142 -3.512 -18.132 82 1HB GLN 11 2HB GLN 11 -1.778 -5.418 -15.880 83 2HB GLN 11 1HB GLN 11 -2.673 -3.912 -16.090 84 1HG GLN 11 2HG GLN 11 -2.718 -4.862 -18.637 85 2HG GLN 11 1HG GLN 11 -2.716 -6.377 -17.734 86 1HE2 GLN 11 1HE2 GLN 11 -4.420 -3.197 -17.794 87 2HE2 GLN 11 2HE2 GLN 11 -5.912 -3.824 -17.283 88 H VAL 12 H VAL 12 0.505 -4.465 -15.109 89 HA VAL 12 HA VAL 12 0.271 -1.924 -13.824 90 HB VAL 12 HB VAL 12 0.935 -3.988 -12.632 91 1HG1 VAL 12 1HG1 VAL 12 2.323 -5.086 -14.241 92 2HG1 VAL 12 2HG1 VAL 12 3.382 -4.668 -12.895 93 3HG1 VAL 12 3HG1 VAL 12 3.399 -3.694 -14.365 94 1HG2 VAL 12 1HG2 VAL 12 1.641 -1.577 -11.941 95 2HG2 VAL 12 2HG2 VAL 12 3.255 -2.069 -12.455 96 3HG2 VAL 12 3HG2 VAL 12 2.442 -2.938 -11.153 97 H GLU 13 H GLU 13 2.371 -3.082 -16.349 98 HA GLU 13 HA GLU 13 4.334 -0.935 -16.025 99 1HB GLU 13 2HB GLU 13 4.131 -3.371 -17.517 100 2HB GLU 13 1HB GLU 13 4.436 -2.054 -18.649 101 1HG GLU 13 2HG GLU 13 6.347 -1.314 -17.265 102 2HG GLU 13 1HG GLU 13 6.052 -2.650 -16.152 103 H LEU 14 H LEU 14 1.340 -1.425 -17.753 104 HA LEU 14 HA LEU 14 1.785 0.810 -19.594 105 1HB LEU 14 2HB LEU 14 -0.332 -1.200 -19.102 106 2HB LEU 14 1HB LEU 14 -0.902 0.364 -19.683 107 HG LEU 14 HG LEU 14 -0.424 -1.077 -21.593 108 1HD1 LEU 14 1HD1 LEU 14 1.977 0.640 -21.723 109 2HD1 LEU 14 2HD1 LEU 14 0.497 1.478 -21.259 110 3HD1 LEU 14 3HD1 LEU 14 0.567 0.593 -22.782 111 1HD2 LEU 14 1HD2 LEU 14 2.344 -1.275 -20.363 112 2HD2 LEU 14 2HD2 LEU 14 1.911 -1.877 -21.962 113 3HD2 LEU 14 3HD2 LEU 14 1.179 -2.590 -20.526 114 H GLY 15 H GLY 15 -0.956 0.366 -17.349 115 1HA GLY 15 2HA GLY 15 -0.969 3.282 -16.886 116 2HA GLY 15 1HA GLY 15 -2.212 2.147 -16.358 117 HA PRO 16 HA PRO 16 0.561 3.178 -12.762 118 1HB PRO 16 2HB PRO 16 -1.362 4.447 -11.261 119 2HB PRO 16 1HB PRO 16 -0.294 5.288 -12.398 120 1HG PRO 16 2HG PRO 16 -3.182 4.608 -12.691 121 2HG PRO 16 1HG PRO 16 -2.258 5.922 -13.436 122 1HD PRO 16 2HD PRO 16 -3.018 3.506 -14.701 123 2HD PRO 16 1HD PRO 16 -1.826 4.675 -15.310 124 H GLY 17 H GLY 17 -2.716 3.060 -11.493 125 1HA GLY 17 2HA GLY 17 -2.099 0.739 -9.873 126 2HA GLY 17 1HA GLY 17 -3.678 1.520 -9.993 127 HA PRO 18 HA PRO 18 -3.306 -2.337 -12.792 128 1HB PRO 18 2HB PRO 18 -3.526 -4.426 -11.019 129 2HB PRO 18 1HB PRO 18 -1.976 -3.787 -11.591 130 1HG PRO 18 2HG PRO 18 -3.286 -3.434 -8.937 131 2HG PRO 18 1HG PRO 18 -1.566 -3.377 -9.355 132 1HD PRO 18 2HD PRO 18 -3.238 -1.137 -8.892 133 2HD PRO 18 1HD PRO 18 -1.616 -1.100 -9.617 134 H SER 19 H SER 19 -5.117 -2.417 -9.693 135 HA SER 19 HA SER 19 -7.540 -3.275 -11.175 136 1HB SER 19 2HB SER 19 -7.534 -2.810 -8.219 137 2HB SER 19 1HB SER 19 -8.373 -4.044 -9.156 138 HG SER 19 HG SER 19 -6.621 -4.939 -8.026 139 H GLY 20 H GLY 20 -6.161 -0.432 -10.846 140 1HA GLY 20 2HA GLY 20 -8.676 0.999 -10.088 141 2HA GLY 20 1HA GLY 20 -7.063 1.699 -9.944 142 H ASP 21 H ASP 21 -8.238 -0.177 -12.704 143 HA ASP 21 HA ASP 21 -8.591 2.268 -14.315 144 1HB ASP 21 2HB ASP 21 -6.071 1.276 -14.225 145 2HB ASP 21 1HB ASP 21 -6.733 0.297 -15.535 146 H MET 22 H MET 22 -10.726 0.923 -13.973 147 HA MET 22 HA MET 22 -11.525 -0.159 -16.450 148 1HB MET 22 2HB MET 22 -9.914 -1.987 -15.065 149 2HB MET 22 1HB MET 22 -11.564 -2.545 -14.787 150 1HG MET 22 2HG MET 22 -11.990 -2.834 -17.076 151 2HG MET 22 1HG MET 22 -10.687 -1.744 -17.552 152 1HE MET 22 1HE MET 22 -11.568 -4.719 -18.462 153 2HE MET 22 2HE MET 22 -10.029 -5.524 -18.762 154 3HE MET 22 3HE MET 22 -10.285 -3.882 -19.346 155 H ALA 23 H ALA 23 -11.964 -0.792 -12.954 156 HA ALA 23 HA ALA 23 -14.902 -0.443 -13.397 157 1HB ALA 23 1HB ALA 23 -14.758 -2.569 -12.485 158 2HB ALA 23 2HB ALA 23 -14.884 -1.609 -11.011 159 3HB ALA 23 3HB ALA 23 -13.309 -2.185 -11.556 160 H ALA 24 H ALA 24 -12.093 0.677 -11.668 161 HA ALA 24 HA ALA 24 -13.588 2.188 -9.672 162 1HB ALA 24 1HB ALA 24 -11.340 1.527 -9.113 163 2HB ALA 24 2HB ALA 24 -11.336 3.283 -9.283 164 3HB ALA 24 3HB ALA 24 -10.698 2.270 -10.578 165 H LYS 25 H LYS 25 -11.943 2.966 -12.738 166 HA LYS 25 HA LYS 25 -12.480 5.787 -12.625 167 1HB LYS 25 2HB LYS 25 -10.928 4.299 -14.221 168 2HB LYS 25 1HB LYS 25 -12.344 4.402 -15.268 169 1HG LYS 25 2HG LYS 25 -10.784 6.257 -15.722 170 2HG LYS 25 1HG LYS 25 -12.308 6.864 -15.073 171 1HD LYS 25 2HD LYS 25 -10.580 6.259 -12.873 172 2HD LYS 25 1HD LYS 25 -9.682 7.246 -14.027 173 1HE LYS 25 2HE LYS 25 -11.726 8.780 -14.094 174 2HE LYS 25 1HE LYS 25 -12.312 7.896 -12.685 175 1HZ LYS 25 1HZ LYS 25 -10.992 9.953 -12.202 176 2HZ LYS 25 2HZ LYS 25 -9.626 9.140 -12.803 177 3HZ LYS 25 3HZ LYS 25 -10.439 8.545 -11.435 178 H MET 26 H MET 26 -14.387 3.021 -13.609 179 HA MET 26 HA MET 26 -16.431 4.722 -14.885 180 1HB MET 26 2HB MET 26 -16.625 1.768 -14.255 181 2HB MET 26 1HB MET 26 -17.533 2.677 -15.464 182 1HG MET 26 2HG MET 26 -14.580 2.799 -15.709 183 2HG MET 26 1HG MET 26 -15.317 1.235 -16.057 184 1HE MET 26 1HE MET 26 -14.284 2.257 -19.131 185 2HE MET 26 2HE MET 26 -15.737 1.284 -19.354 186 3HE MET 26 3HE MET 26 -14.673 0.967 -17.987 187 H SER 27 H SER 27 -15.733 3.380 -11.780 188 HA SER 27 HA SER 27 -18.460 3.338 -10.791 189 1HB SER 27 2HB SER 27 -16.071 2.363 -9.862 190 2HB SER 27 1HB SER 27 -16.303 3.767 -8.824 191 HG SER 27 HG SER 27 -17.302 1.788 -8.071 192 H LYS 28 H LYS 28 -15.807 5.700 -10.718 193 HA LYS 28 HA LYS 28 -17.407 7.597 -9.149 194 1HB LYS 28 2HB LYS 28 -14.650 7.282 -9.813 195 2HB LYS 28 1HB LYS 28 -15.166 8.860 -10.409 196 1HG LYS 28 2HG LYS 28 -16.129 9.373 -8.182 197 2HG LYS 28 1HG LYS 28 -15.556 7.813 -7.589 198 1HD LYS 28 2HD LYS 28 -13.949 9.530 -6.961 199 2HD LYS 28 1HD LYS 28 -13.226 8.494 -8.190 200 1HE LYS 28 2HE LYS 28 -13.044 10.203 -9.654 201 2HE LYS 28 1HE LYS 28 -14.709 10.711 -9.371 202 1HZ LYS 28 1HZ LYS 28 -13.575 12.481 -8.523 203 2HZ LYS 28 2HZ LYS 28 -12.249 11.548 -8.013 204 3HZ LYS 28 3HZ LYS 28 -13.696 11.530 -7.123 205 H LYS 29 H LYS 29 -16.498 7.098 -12.528 206 HA LYS 29 HA LYS 29 -17.424 9.614 -13.528 207 1HB LYS 29 2HB LYS 29 -16.027 8.008 -14.833 208 2HB LYS 29 1HB LYS 29 -17.421 6.933 -14.947 209 1HG LYS 29 2HG LYS 29 -18.587 9.172 -15.837 210 2HG LYS 29 1HG LYS 29 -16.926 9.546 -16.298 211 1HD LYS 29 2HD LYS 29 -18.230 6.903 -16.972 212 2HD LYS 29 1HD LYS 29 -18.323 8.301 -18.045 213 1HE LYS 29 2HE LYS 29 -15.603 8.003 -17.217 214 2HE LYS 29 1HE LYS 29 -16.180 6.433 -17.775 215 1HZ LYS 29 1HZ LYS 29 -16.311 7.148 -19.868 216 2HZ LYS 29 2HZ LYS 29 -15.331 8.443 -19.369 217 3HZ LYS 29 3HZ LYS 29 -17.019 8.627 -19.433 218 H LYS 30 H LYS 30 -19.071 6.519 -12.967 219 HA LYS 30 HA LYS 30 -21.660 7.967 -13.349 220 1HB LYS 30 2HB LYS 30 -22.512 5.620 -14.074 221 2HB LYS 30 1HB LYS 30 -21.578 6.558 -15.241 222 1HG LYS 30 2HG LYS 30 -19.530 5.345 -14.579 223 2HG LYS 30 1HG LYS 30 -20.467 4.399 -13.421 224 1HD LYS 30 2HD LYS 30 -20.505 2.957 -15.232 225 2HD LYS 30 1HD LYS 30 -21.958 3.899 -15.566 226 1HE LYS 30 2HE LYS 30 -20.108 5.472 -16.763 227 2HE LYS 30 1HE LYS 30 -19.343 3.897 -16.968 228 1HZ LYS 30 1HZ LYS 30 -21.647 4.975 -18.265 229 2HZ LYS 30 2HZ LYS 30 -21.972 3.462 -17.563 230 3HZ LYS 30 3HZ LYS 30 -20.705 3.628 -18.684 231 H ALA 31 H ALA 31 -21.013 8.113 -10.883 232 HA ALA 31 HA ALA 31 -21.839 5.632 -9.456 233 1HB ALA 31 1HB ALA 31 -20.441 6.270 -7.789 234 2HB ALA 31 2HB ALA 31 -21.037 7.929 -7.814 235 3HB ALA 31 3HB ALA 31 -19.789 7.423 -8.951 236 H GLY 32 H GLY 32 -22.333 9.141 -8.907 237 1HA GLY 32 2HA GLY 32 -24.217 10.236 -8.005 238 2HA GLY 32 1HA GLY 32 -25.081 9.308 -9.231 239 H ARG 33 H ARG 33 -26.613 7.941 -8.465 240 HA ARG 33 HA ARG 33 -27.034 7.576 -5.645 241 1HB ARG 33 2HB ARG 33 -28.569 7.232 -7.898 242 2HB ARG 33 1HB ARG 33 -28.255 5.565 -7.417 243 1HG ARG 33 2HG ARG 33 -29.075 7.556 -5.327 244 2HG ARG 33 1HG ARG 33 -30.305 6.863 -6.384 245 1HD ARG 33 2HD ARG 33 -29.645 4.603 -5.732 246 2HD ARG 33 1HD ARG 33 -28.336 5.246 -4.741 247 HE ARG 33 HE ARG 33 -29.954 5.957 -3.124 248 1HH1 ARG 33 1HH2 ARG 33 -31.109 3.562 -5.111 249 2HH1 ARG 33 2HH2 ARG 33 -32.790 3.873 -4.834 250 1HH2 ARG 33 1HH1 ARG 33 -32.231 6.844 -3.135 251 2HH2 ARG 33 2HH1 ARG 33 -33.426 5.732 -3.716 252 H GLY 34 H GLY 34 -25.293 6.567 -4.629 253 1HA GLY 34 2HA GLY 34 -24.599 3.832 -5.630 254 2HA GLY 34 1HA GLY 34 -23.452 4.876 -4.787 Start of MODEL 2 1 1H MET 1 1HT MET 1 -5.936 -23.758 -13.804 2 2H MET 1 2HT MET 1 -4.576 -24.031 -14.785 3 3H MET 1 3HT MET 1 -6.136 -24.096 -15.452 4 HA MET 1 HA MET 1 -6.060 -21.954 -15.934 5 1HB MET 1 2HB MET 1 -5.861 -21.937 -12.963 6 2HB MET 1 1HB MET 1 -5.456 -20.433 -13.793 7 1HG MET 1 2HG MET 1 -7.715 -20.094 -13.689 8 2HG MET 1 1HG MET 1 -7.716 -21.114 -15.129 9 1HE MET 1 1HE MET 1 -8.650 -23.335 -15.357 10 2HE MET 1 2HE MET 1 -9.939 -22.166 -15.081 11 3HE MET 1 3HE MET 1 -10.020 -23.754 -14.319 12 H GLY 2 H GLY 2 -4.501 -20.792 -16.985 13 1HA GLY 2 2HA GLY 2 -1.728 -21.509 -16.714 14 2HA GLY 2 1HA GLY 2 -2.346 -20.166 -17.678 15 H LYS 3 H LYS 3 -0.050 -19.613 -16.417 16 HA LYS 3 HA LYS 3 -0.597 -18.460 -13.760 17 1HB LYS 3 2HB LYS 3 1.747 -19.233 -15.274 18 2HB LYS 3 1HB LYS 3 1.920 -17.582 -14.679 19 1HG LYS 3 2HG LYS 3 2.528 -18.517 -12.711 20 2HG LYS 3 1HG LYS 3 0.819 -18.910 -12.510 21 1HD LYS 3 2HD LYS 3 2.283 -20.906 -12.225 22 2HD LYS 3 1HD LYS 3 1.161 -21.087 -13.575 23 1HE LYS 3 2HE LYS 3 2.886 -21.385 -14.985 24 2HE LYS 3 1HE LYS 3 3.532 -19.805 -14.544 25 1HZ LYS 3 1HZ LYS 3 5.133 -21.524 -14.067 26 2HZ LYS 3 2HZ LYS 3 4.008 -22.359 -13.105 27 3HZ LYS 3 3HZ LYS 3 4.588 -20.838 -12.614 28 H ALA 4 H ALA 4 0.260 -17.292 -17.024 29 HA ALA 4 HA ALA 4 -0.055 -15.181 -18.002 30 1HB ALA 4 1HB ALA 4 -2.378 -15.338 -17.579 31 2HB ALA 4 2HB ALA 4 -1.922 -13.787 -16.874 32 3HB ALA 4 3HB ALA 4 -2.157 -15.192 -15.835 33 H GLU 5 H GLU 5 1.989 -15.549 -15.942 34 HA GLU 5 HA GLU 5 2.092 -13.455 -14.046 35 1HB GLU 5 2HB GLU 5 3.933 -15.360 -15.199 36 2HB GLU 5 1HB GLU 5 4.718 -13.790 -15.025 37 1HG GLU 5 2HG GLU 5 3.103 -15.012 -12.785 38 2HG GLU 5 1HG GLU 5 4.818 -15.367 -12.992 39 H ASN 6 H ASN 6 3.865 -13.439 -17.162 40 HA ASN 6 HA ASN 6 4.503 -10.711 -17.190 41 1HB ASN 6 2HB ASN 6 4.100 -12.782 -19.299 42 2HB ASN 6 1HB ASN 6 4.178 -11.099 -19.819 43 1HD2 ASN 6 1HD2 ASN 6 5.969 -13.286 -17.560 44 2HD2 ASN 6 2HD2 ASN 6 7.504 -12.690 -17.975 45 H TYR 7 H TYR 7 1.500 -12.285 -18.250 46 HA TYR 7 HA TYR 7 0.197 -10.185 -19.526 47 1HB TYR 7 2HB TYR 7 -0.977 -12.234 -19.402 48 2HB TYR 7 1HB TYR 7 -0.823 -12.315 -17.649 49 HD1 TYR 7 1HD TYR 7 -2.121 -10.716 -16.209 50 HD2 TYR 7 2HD TYR 7 -2.779 -11.048 -20.441 51 HE1 TYR 7 1HE TYR 7 -4.305 -9.568 -15.959 52 HE2 TYR 7 2HE TYR 7 -4.965 -9.901 -20.191 53 HH TYR 7 HH TYR 7 -6.684 -9.685 -17.992 54 H GLU 8 H GLU 8 0.101 -10.797 -15.991 55 HA GLU 8 HA GLU 8 -1.239 -8.326 -15.399 56 1HB GLU 8 2HB GLU 8 -0.229 -10.584 -13.940 57 2HB GLU 8 1HB GLU 8 0.328 -9.105 -13.157 58 1HG GLU 8 2HG GLU 8 -2.172 -8.332 -13.546 59 2HG GLU 8 1HG GLU 8 -2.474 -10.068 -13.609 60 H LEU 9 H LEU 9 2.206 -9.251 -15.351 61 HA LEU 9 HA LEU 9 3.221 -6.816 -14.309 62 1HB LEU 9 2HB LEU 9 4.307 -9.064 -15.913 63 2HB LEU 9 1HB LEU 9 5.210 -7.551 -15.997 64 HG LEU 9 HG LEU 9 4.688 -7.719 -13.313 65 1HD1 LEU 9 1HD1 LEU 9 5.582 -10.223 -12.991 66 2HD1 LEU 9 2HD1 LEU 9 4.693 -10.461 -14.496 67 3HD1 LEU 9 3HD1 LEU 9 3.858 -9.856 -13.063 68 1HD2 LEU 9 1HD2 LEU 9 6.865 -7.172 -14.010 69 2HD2 LEU 9 2HD2 LEU 9 7.002 -8.607 -15.027 70 3HD2 LEU 9 3HD2 LEU 9 7.086 -8.759 -13.273 71 H TYR 10 H TYR 10 1.803 -7.507 -17.382 72 HA TYR 10 HA TYR 10 3.038 -5.199 -18.718 73 1HB TYR 10 2HB TYR 10 2.363 -7.300 -19.940 74 2HB TYR 10 1HB TYR 10 0.682 -6.864 -19.635 75 HD1 TYR 10 1HD TYR 10 -0.234 -6.171 -21.683 76 HD2 TYR 10 2HD TYR 10 3.644 -4.745 -20.508 77 HE1 TYR 10 1HE TYR 10 -0.197 -4.651 -23.643 78 HE2 TYR 10 2HE TYR 10 3.681 -3.226 -22.467 79 HH TYR 10 HH TYR 10 2.643 -2.617 -24.338 80 H GLN 11 H GLN 11 -0.002 -6.009 -17.119 81 HA GLN 11 HA GLN 11 -1.416 -3.629 -17.924 82 1HB GLN 11 2HB GLN 11 -1.828 -5.270 -15.408 83 2HB GLN 11 1HB GLN 11 -3.005 -4.211 -16.184 84 1HG GLN 11 2HG GLN 11 -2.164 -5.949 -18.215 85 2HG GLN 11 1HG GLN 11 -2.346 -6.976 -16.791 86 1HE2 GLN 11 1HE2 GLN 11 -4.116 -4.497 -18.706 87 2HE2 GLN 11 2HE2 GLN 11 -5.661 -5.085 -18.320 88 H VAL 12 H VAL 12 0.748 -4.415 -15.244 89 HA VAL 12 HA VAL 12 0.284 -1.877 -13.875 90 HB VAL 12 HB VAL 12 1.073 -4.068 -12.796 91 1HG1 VAL 12 1HG1 VAL 12 3.801 -3.135 -13.694 92 2HG1 VAL 12 2HG1 VAL 12 2.890 -4.334 -14.612 93 3HG1 VAL 12 3HG1 VAL 12 3.359 -4.669 -12.945 94 1HG2 VAL 12 1HG2 VAL 12 2.127 -1.319 -12.367 95 2HG2 VAL 12 2HG2 VAL 12 2.948 -2.617 -11.499 96 3HG2 VAL 12 3HG2 VAL 12 1.218 -2.359 -11.270 97 H GLU 13 H GLU 13 2.452 -3.088 -16.335 98 HA GLU 13 HA GLU 13 4.371 -0.913 -16.108 99 1HB GLU 13 2HB GLU 13 4.568 -3.312 -17.243 100 2HB GLU 13 1HB GLU 13 4.001 -2.431 -18.661 101 1HG GLU 13 2HG GLU 13 6.006 -0.848 -17.376 102 2HG GLU 13 1HG GLU 13 6.636 -2.483 -17.568 103 H LEU 14 H LEU 14 1.286 -1.334 -17.630 104 HA LEU 14 HA LEU 14 1.657 0.809 -19.583 105 1HB LEU 14 2HB LEU 14 -0.400 -1.146 -18.911 106 2HB LEU 14 1HB LEU 14 -1.088 0.449 -19.216 107 HG LEU 14 HG LEU 14 -0.895 -0.894 -21.298 108 1HD1 LEU 14 1HD1 LEU 14 1.166 1.113 -21.842 109 2HD1 LEU 14 2HD1 LEU 14 -0.168 1.755 -20.882 110 3HD1 LEU 14 3HD1 LEU 14 -0.487 1.011 -22.449 111 1HD2 LEU 14 1HD2 LEU 14 1.007 -1.992 -21.860 112 2HD2 LEU 14 2HD2 LEU 14 1.520 -1.700 -20.199 113 3HD2 LEU 14 3HD2 LEU 14 2.018 -0.598 -21.482 114 H GLY 15 H GLY 15 -0.883 0.627 -17.085 115 1HA GLY 15 2HA GLY 15 -1.007 2.244 -15.233 116 2HA GLY 15 1HA GLY 15 -0.112 3.385 -16.237 117 HA PRO 16 HA PRO 16 -4.642 3.176 -17.858 118 1HB PRO 16 2HB PRO 16 -6.444 2.092 -16.086 119 2HB PRO 16 1HB PRO 16 -5.620 1.151 -17.342 120 1HG PRO 16 2HG PRO 16 -5.118 1.206 -14.402 121 2HG PRO 16 1HG PRO 16 -4.815 -0.093 -15.568 122 1HD PRO 16 2HD PRO 16 -2.866 1.660 -14.505 123 2HD PRO 16 1HD PRO 16 -2.654 0.597 -15.911 124 H GLY 17 H GLY 17 -3.309 4.350 -15.079 125 1HA GLY 17 2HA GLY 17 -3.848 6.099 -13.599 126 2HA GLY 17 1HA GLY 17 -4.637 6.799 -15.012 127 HA PRO 18 HA PRO 18 -7.898 4.404 -12.393 128 1HB PRO 18 2HB PRO 18 -7.204 4.137 -9.746 129 2HB PRO 18 1HB PRO 18 -6.868 2.906 -10.975 130 1HG PRO 18 2HG PRO 18 -4.986 4.815 -9.669 131 2HG PRO 18 1HG PRO 18 -4.659 3.225 -10.380 132 1HD PRO 18 2HD PRO 18 -4.120 5.726 -11.593 133 2HD PRO 18 1HD PRO 18 -4.105 4.145 -12.404 134 H SER 19 H SER 19 -6.464 6.097 -9.633 135 HA SER 19 HA SER 19 -7.141 8.038 -8.504 136 1HB SER 19 2HB SER 19 -8.266 8.916 -11.173 137 2HB SER 19 1HB SER 19 -7.739 9.941 -9.842 138 HG SER 19 HG SER 19 -6.309 9.022 -11.864 139 H GLY 20 H GLY 20 -8.982 5.700 -8.827 140 1HA GLY 20 2HA GLY 20 -11.086 5.762 -7.449 141 2HA GLY 20 1HA GLY 20 -11.558 7.166 -8.406 142 H ASP 21 H ASP 21 -10.055 4.175 -9.594 143 HA ASP 21 HA ASP 21 -12.272 3.911 -11.531 144 1HB ASP 21 2HB ASP 21 -9.576 3.479 -11.754 145 2HB ASP 21 1HB ASP 21 -10.168 1.839 -11.484 146 H MET 22 H MET 22 -12.864 3.406 -8.735 147 HA MET 22 HA MET 22 -13.475 0.479 -8.888 148 1HB MET 22 2HB MET 22 -12.896 2.190 -6.451 149 2HB MET 22 1HB MET 22 -13.473 0.526 -6.380 150 1HG MET 22 2HG MET 22 -11.135 0.293 -6.204 151 2HG MET 22 1HG MET 22 -11.445 -0.011 -7.914 152 1HE MET 22 1HE MET 22 -8.986 1.135 -5.904 153 2HE MET 22 2HE MET 22 -10.017 2.390 -5.223 154 3HE MET 22 3HE MET 22 -8.598 2.840 -6.165 155 H ALA 23 H ALA 23 -15.051 2.830 -9.842 156 HA ALA 23 HA ALA 23 -17.632 2.022 -9.037 157 1HB ALA 23 1HB ALA 23 -17.358 4.644 -7.752 158 2HB ALA 23 2HB ALA 23 -16.419 3.383 -6.956 159 3HB ALA 23 3HB ALA 23 -18.158 3.186 -7.166 160 H ALA 24 H ALA 24 -15.538 4.618 -10.151 161 HA ALA 24 HA ALA 24 -17.593 6.231 -11.355 162 1HB ALA 24 1HB ALA 24 -15.610 7.023 -12.812 163 2HB ALA 24 2HB ALA 24 -14.623 5.950 -11.820 164 3HB ALA 24 3HB ALA 24 -15.494 7.291 -11.073 165 H LYS 25 H LYS 25 -15.439 3.713 -12.712 166 HA LYS 25 HA LYS 25 -16.797 3.805 -15.296 167 1HB LYS 25 2HB LYS 25 -14.327 3.030 -14.638 168 2HB LYS 25 1HB LYS 25 -15.123 1.462 -14.490 169 1HG LYS 25 2HG LYS 25 -14.886 1.276 -16.729 170 2HG LYS 25 1HG LYS 25 -16.150 2.500 -16.861 171 1HD LYS 25 2HD LYS 25 -14.588 4.257 -17.100 172 2HD LYS 25 1HD LYS 25 -13.260 3.277 -16.478 173 1HE LYS 25 2HE LYS 25 -13.146 1.978 -18.465 174 2HE LYS 25 1HE LYS 25 -14.716 2.555 -19.025 175 1HZ LYS 25 1HZ LYS 25 -13.506 4.007 -20.191 176 2HZ LYS 25 2HZ LYS 25 -12.115 3.782 -19.243 177 3HZ LYS 25 3HZ LYS 25 -13.338 4.843 -18.725 178 H MET 26 H MET 26 -16.766 1.598 -12.496 179 HA MET 26 HA MET 26 -18.410 -0.446 -13.500 180 1HB MET 26 2HB MET 26 -18.341 0.749 -10.712 181 2HB MET 26 1HB MET 26 -19.142 -0.768 -11.123 182 1HG MET 26 2HG MET 26 -16.748 -1.286 -12.207 183 2HG MET 26 1HG MET 26 -16.229 -0.146 -10.966 184 1HE MET 26 1HE MET 26 -17.349 -3.869 -11.648 185 2HE MET 26 2HE MET 26 -18.763 -2.818 -11.639 186 3HE MET 26 3HE MET 26 -18.569 -4.032 -10.377 187 H SER 27 H SER 27 -19.439 2.561 -11.854 188 HA SER 27 HA SER 27 -22.248 2.074 -12.194 189 1HB SER 27 2HB SER 27 -21.194 3.743 -10.602 190 2HB SER 27 1HB SER 27 -20.893 4.777 -11.995 191 HG SER 27 HG SER 27 -22.859 5.430 -11.626 192 H LYS 28 H LYS 28 -19.787 3.537 -14.243 193 HA LYS 28 HA LYS 28 -21.567 4.775 -16.122 194 1HB LYS 28 2HB LYS 28 -18.724 3.767 -16.321 195 2HB LYS 28 1HB LYS 28 -19.550 4.505 -17.694 196 1HG LYS 28 2HG LYS 28 -19.952 6.122 -15.340 197 2HG LYS 28 1HG LYS 28 -18.228 5.838 -15.581 198 1HD LYS 28 2HD LYS 28 -18.517 6.523 -17.982 199 2HD LYS 28 1HD LYS 28 -20.183 6.967 -17.602 200 1HE LYS 28 2HE LYS 28 -17.661 8.155 -16.417 201 2HE LYS 28 1HE LYS 28 -18.843 8.971 -17.439 202 1HZ LYS 28 1HZ LYS 28 -19.173 9.509 -15.110 203 2HZ LYS 28 2HZ LYS 28 -19.364 7.863 -14.733 204 3HZ LYS 28 3HZ LYS 28 -20.504 8.650 -15.718 205 H LYS 29 H LYS 29 -20.866 1.492 -15.466 206 HA LYS 29 HA LYS 29 -22.115 0.711 -18.072 207 1HB LYS 29 2HB LYS 29 -19.631 -0.108 -16.946 208 2HB LYS 29 1HB LYS 29 -20.725 -1.490 -16.861 209 1HG LYS 29 2HG LYS 29 -20.236 -1.843 -19.038 210 2HG LYS 29 1HG LYS 29 -21.222 -0.420 -19.379 211 1HD LYS 29 2HD LYS 29 -18.399 0.048 -18.537 212 2HD LYS 29 1HD LYS 29 -18.666 -0.580 -20.165 213 1HE LYS 29 2HE LYS 29 -20.005 1.887 -19.019 214 2HE LYS 29 1HE LYS 29 -18.633 1.904 -20.125 215 1HZ LYS 29 1HZ LYS 29 -21.392 0.974 -20.637 216 2HZ LYS 29 2HZ LYS 29 -20.096 0.508 -21.631 217 3HZ LYS 29 3HZ LYS 29 -20.503 2.150 -21.476 218 H LYS 30 H LYS 30 -23.763 1.373 -15.957 219 HA LYS 30 HA LYS 30 -25.557 0.502 -14.720 220 1HB LYS 30 2HB LYS 30 -25.772 -0.883 -16.847 221 2HB LYS 30 1HB LYS 30 -24.871 -2.149 -16.011 222 1HG LYS 30 2HG LYS 30 -27.006 -2.798 -15.440 223 2HG LYS 30 1HG LYS 30 -26.699 -1.670 -14.118 224 1HD LYS 30 2HD LYS 30 -27.610 -0.072 -16.240 225 2HD LYS 30 1HD LYS 30 -28.656 -1.493 -16.255 226 1HE LYS 30 2HE LYS 30 -28.988 -1.181 -13.777 227 2HE LYS 30 1HE LYS 30 -28.111 0.344 -13.907 228 1HZ LYS 30 1HZ LYS 30 -29.772 0.940 -15.685 229 2HZ LYS 30 2HZ LYS 30 -30.369 0.886 -14.095 230 3HZ LYS 30 3HZ LYS 30 -30.684 -0.393 -15.169 231 H ALA 31 H ALA 31 -24.367 0.776 -12.728 232 HA ALA 31 HA ALA 31 -22.854 -1.567 -11.732 233 1HB ALA 31 1HB ALA 31 -21.756 0.443 -11.173 234 2HB ALA 31 2HB ALA 31 -22.609 0.024 -9.687 235 3HB ALA 31 3HB ALA 31 -23.264 1.259 -10.763 236 H GLY 32 H GLY 32 -25.807 0.271 -11.026 237 1HA GLY 32 2HA GLY 32 -27.378 -1.841 -10.155 238 2HA GLY 32 1HA GLY 32 -26.501 -1.337 -8.709 239 H ARG 33 H ARG 33 -29.269 -1.080 -8.792 240 HA ARG 33 HA ARG 33 -29.530 1.878 -8.684 241 1HB ARG 33 2HB ARG 33 -30.753 0.188 -10.673 242 2HB ARG 33 1HB ARG 33 -32.005 0.898 -9.654 243 1HG ARG 33 2HG ARG 33 -29.840 2.368 -11.181 244 2HG ARG 33 1HG ARG 33 -31.580 2.442 -11.461 245 1HD ARG 33 2HD ARG 33 -31.774 4.097 -9.951 246 2HD ARG 33 1HD ARG 33 -31.069 3.064 -8.708 247 HE ARG 33 HE ARG 33 -28.830 3.875 -9.965 248 1HH1 ARG 33 1HH1 ARG 33 -30.804 6.056 -11.040 249 2HH1 ARG 33 2HH1 ARG 33 -30.393 7.365 -9.984 250 1HH2 ARG 33 1HH2 ARG 33 -28.668 5.362 -7.741 251 2HH2 ARG 33 2HH2 ARG 33 -29.182 6.973 -8.116 252 H GLY 34 H GLY 34 -31.729 -0.931 -8.355 253 1HA GLY 34 2HA GLY 34 -32.703 0.187 -5.805 254 2HA GLY 34 1HA GLY 34 -33.381 -1.207 -6.649 Start of MODEL 3 1 1H MET 1 1HT MET 1 -2.801 -19.284 -11.840 2 2H MET 1 2HT MET 1 -2.312 -20.183 -10.482 3 3H MET 1 3HT MET 1 -3.586 -20.740 -11.461 4 HA MET 1 HA MET 1 -1.109 -21.644 -11.678 5 1HB MET 1 2HB MET 1 -1.761 -22.470 -13.855 6 2HB MET 1 1HB MET 1 -3.209 -22.411 -12.849 7 1HG MET 1 2HG MET 1 -2.838 -19.863 -14.142 8 2HG MET 1 1HG MET 1 -2.803 -21.148 -15.351 9 1HE MET 1 1HE MET 1 -6.060 -22.387 -15.857 10 2HE MET 1 2HE MET 1 -4.331 -22.303 -16.184 11 3HE MET 1 3HE MET 1 -5.363 -20.931 -16.580 12 H GLY 2 H GLY 2 -0.375 -21.294 -14.462 13 1HA GLY 2 2HA GLY 2 0.989 -18.653 -14.217 14 2HA GLY 2 1HA GLY 2 1.585 -20.011 -15.174 15 H LYS 3 H LYS 3 1.694 -18.600 -17.045 16 HA LYS 3 HA LYS 3 0.784 -18.029 -19.149 17 1HB LYS 3 2HB LYS 3 -0.955 -19.874 -18.436 18 2HB LYS 3 1HB LYS 3 -2.002 -18.487 -18.132 19 1HG LYS 3 2HG LYS 3 -2.483 -18.523 -20.338 20 2HG LYS 3 1HG LYS 3 -0.848 -17.917 -20.603 21 1HD LYS 3 2HD LYS 3 -0.295 -19.841 -21.624 22 2HD LYS 3 1HD LYS 3 -0.681 -20.735 -20.153 23 1HE LYS 3 2HE LYS 3 -2.527 -21.579 -21.115 24 2HE LYS 3 1HE LYS 3 -3.129 -19.952 -21.433 25 1HZ LYS 3 1HZ LYS 3 -2.882 -20.600 -23.558 26 2HZ LYS 3 2HZ LYS 3 -1.730 -21.791 -23.191 27 3HZ LYS 3 3HZ LYS 3 -1.264 -20.162 -23.309 28 H ALA 4 H ALA 4 0.182 -16.607 -16.189 29 HA ALA 4 HA ALA 4 -0.803 -14.133 -17.542 30 1HB ALA 4 1HB ALA 4 -1.913 -13.739 -15.172 31 2HB ALA 4 2HB ALA 4 -1.859 -15.500 -15.090 32 3HB ALA 4 3HB ALA 4 -2.743 -14.705 -16.393 33 H GLU 5 H GLU 5 1.827 -15.356 -16.325 34 HA GLU 5 HA GLU 5 2.562 -13.708 -14.107 35 1HB GLU 5 2HB GLU 5 3.879 -15.557 -15.935 36 2HB GLU 5 1HB GLU 5 4.913 -14.183 -15.545 37 1HG GLU 5 2HG GLU 5 4.681 -14.586 -13.178 38 2HG GLU 5 1HG GLU 5 3.444 -15.812 -13.457 39 H ASN 6 H ASN 6 3.634 -13.368 -17.515 40 HA ASN 6 HA ASN 6 4.461 -10.618 -17.080 41 1HB ASN 6 2HB ASN 6 4.707 -12.588 -19.156 42 2HB ASN 6 1HB ASN 6 4.078 -11.097 -19.857 43 1HD2 ASN 6 1HD2 ASN 6 6.879 -12.561 -18.312 44 2HD2 ASN 6 2HD2 ASN 6 7.913 -11.228 -18.498 45 H TYR 7 H TYR 7 1.479 -12.162 -17.844 46 HA TYR 7 HA TYR 7 0.178 -10.129 -19.347 47 1HB TYR 7 2HB TYR 7 -0.969 -12.194 -19.159 48 2HB TYR 7 1HB TYR 7 -0.823 -12.211 -17.403 49 HD1 TYR 7 1HD TYR 7 -2.274 -10.832 -15.999 50 HD2 TYR 7 2HD TYR 7 -2.638 -10.794 -20.278 51 HE1 TYR 7 1HE TYR 7 -4.466 -9.691 -15.801 52 HE2 TYR 7 2HE TYR 7 -4.831 -9.652 -20.080 53 HH TYR 7 HH TYR 7 -5.967 -8.367 -17.066 54 H GLU 8 H GLU 8 -0.018 -10.695 -15.809 55 HA GLU 8 HA GLU 8 -1.289 -8.190 -15.251 56 1HB GLU 8 2HB GLU 8 -0.341 -10.439 -13.762 57 2HB GLU 8 1HB GLU 8 0.320 -8.982 -13.023 58 1HG GLU 8 2HG GLU 8 -2.060 -8.020 -13.186 59 2HG GLU 8 1HG GLU 8 -2.579 -9.676 -13.504 60 H LEU 9 H LEU 9 2.119 -9.183 -15.316 61 HA LEU 9 HA LEU 9 3.229 -6.748 -14.327 62 1HB LEU 9 2HB LEU 9 4.201 -9.097 -15.850 63 2HB LEU 9 1HB LEU 9 5.136 -7.617 -16.070 64 HG LEU 9 HG LEU 9 4.531 -7.838 -13.295 65 1HD1 LEU 9 1HD1 LEU 9 4.219 -10.153 -13.308 66 2HD1 LEU 9 2HD1 LEU 9 5.957 -10.035 -13.035 67 3HD1 LEU 9 3HD1 LEU 9 5.341 -10.397 -14.647 68 1HD2 LEU 9 1HD2 LEU 9 6.649 -7.158 -14.959 69 2HD2 LEU 9 2HD2 LEU 9 7.239 -8.595 -14.123 70 3HD2 LEU 9 3HD2 LEU 9 6.702 -7.194 -13.197 71 H TYR 10 H TYR 10 1.663 -7.492 -17.286 72 HA TYR 10 HA TYR 10 2.938 -5.326 -18.810 73 1HB TYR 10 2HB TYR 10 2.245 -7.268 -20.062 74 2HB TYR 10 1HB TYR 10 0.617 -7.178 -19.396 75 HD1 TYR 10 1HD TYR 10 3.055 -5.486 -21.625 76 HD2 TYR 10 2HD TYR 10 -1.024 -5.682 -20.294 77 HE1 TYR 10 1HE TYR 10 2.380 -3.978 -23.475 78 HE2 TYR 10 2HE TYR 10 -1.700 -4.173 -22.143 79 HH TYR 10 HH TYR 10 -0.784 -2.571 -23.633 80 H GLN 11 H GLN 11 -0.302 -5.981 -17.440 81 HA GLN 11 HA GLN 11 -1.413 -3.444 -18.164 82 1HB GLN 11 2HB GLN 11 -2.122 -5.616 -16.238 83 2HB GLN 11 1HB GLN 11 -2.899 -4.046 -16.031 84 1HG GLN 11 2HG GLN 11 -2.795 -5.100 -18.808 85 2HG GLN 11 1HG GLN 11 -3.870 -5.945 -17.691 86 1HE2 GLN 11 1HE2 GLN 11 -5.874 -5.116 -18.503 87 2HE2 GLN 11 2HE2 GLN 11 -6.284 -3.468 -18.438 88 H VAL 12 H VAL 12 0.663 -4.445 -15.533 89 HA VAL 12 HA VAL 12 0.174 -1.972 -14.011 90 HB VAL 12 HB VAL 12 0.634 -3.983 -12.735 91 1HG1 VAL 12 1HG1 VAL 12 2.017 -5.547 -13.567 92 2HG1 VAL 12 2HG1 VAL 12 3.382 -4.461 -13.313 93 3HG1 VAL 12 3HG1 VAL 12 2.516 -4.443 -14.849 94 1HG2 VAL 12 1HG2 VAL 12 3.257 -2.563 -12.513 95 2HG2 VAL 12 2HG2 VAL 12 2.124 -3.031 -11.244 96 3HG2 VAL 12 3HG2 VAL 12 1.788 -1.621 -12.249 97 H GLU 13 H GLU 13 2.519 -3.251 -16.294 98 HA GLU 13 HA GLU 13 4.435 -1.083 -15.829 99 1HB GLU 13 2HB GLU 13 4.316 -3.543 -17.414 100 2HB GLU 13 1HB GLU 13 5.044 -2.202 -18.296 101 1HG GLU 13 2HG GLU 13 6.261 -1.884 -15.899 102 2HG GLU 13 1HG GLU 13 6.023 -3.633 -15.888 103 H LEU 14 H LEU 14 1.448 -1.132 -17.217 104 HA LEU 14 HA LEU 14 1.841 0.240 -19.697 105 1HB LEU 14 2HB LEU 14 -0.356 -0.638 -18.141 106 2HB LEU 14 1HB LEU 14 -0.585 1.094 -18.388 107 HG LEU 14 HG LEU 14 -1.604 -0.172 -20.233 108 1HD1 LEU 14 1HD1 LEU 14 0.953 1.159 -21.170 109 2HD1 LEU 14 2HD1 LEU 14 -0.470 2.049 -20.632 110 3HD1 LEU 14 3HD1 LEU 14 -0.562 1.019 -22.060 111 1HD2 LEU 14 1HD2 LEU 14 -0.038 -2.135 -20.023 112 2HD2 LEU 14 2HD2 LEU 14 1.208 -1.161 -20.802 113 3HD2 LEU 14 3HD2 LEU 14 -0.260 -1.582 -21.683 114 H GLY 15 H GLY 15 0.613 1.673 -16.650 115 1HA GLY 15 2HA GLY 15 2.163 3.629 -15.875 116 2HA GLY 15 1HA GLY 15 1.860 4.245 -17.500 117 HA PRO 16 HA PRO 16 -2.303 4.412 -15.105 118 1HB PRO 16 2HB PRO 16 -2.122 4.019 -12.389 119 2HB PRO 16 1HB PRO 16 -2.440 2.717 -13.548 120 1HG PRO 16 2HG PRO 16 0.072 3.335 -12.063 121 2HG PRO 16 1HG PRO 16 -0.504 1.784 -12.696 122 1HD PRO 16 2HD PRO 16 1.468 3.427 -13.885 123 2HD PRO 16 1HD PRO 16 0.643 2.059 -14.662 124 H GLY 17 H GLY 17 -0.141 5.243 -12.384 125 1HA GLY 17 2HA GLY 17 -0.486 8.127 -13.033 126 2HA GLY 17 1HA GLY 17 -0.953 7.559 -11.428 127 HA PRO 18 HA PRO 18 3.702 8.367 -11.744 128 1HB PRO 18 2HB PRO 18 3.785 10.972 -10.874 129 2HB PRO 18 1HB PRO 18 3.715 10.512 -12.585 130 1HG PRO 18 2HG PRO 18 1.559 11.632 -10.851 131 2HG PRO 18 1HG PRO 18 1.760 11.746 -12.607 132 1HD PRO 18 2HD PRO 18 -0.009 10.000 -11.251 133 2HD PRO 18 1HD PRO 18 0.450 9.898 -12.965 134 H SER 19 H SER 19 1.246 9.420 -9.419 135 HA SER 19 HA SER 19 3.152 9.043 -7.177 136 1HB SER 19 2HB SER 19 1.836 11.005 -6.908 137 2HB SER 19 1HB SER 19 0.357 10.173 -7.381 138 HG SER 19 HG SER 19 0.126 9.858 -5.318 139 H GLY 20 H GLY 20 2.753 6.648 -8.372 140 1HA GLY 20 2HA GLY 20 1.677 5.018 -6.288 141 2HA GLY 20 1HA GLY 20 0.491 5.128 -7.589 142 H ASP 21 H ASP 21 4.051 4.728 -7.393 143 HA ASP 21 HA ASP 21 3.762 2.543 -9.416 144 1HB ASP 21 2HB ASP 21 5.475 4.857 -9.331 145 2HB ASP 21 1HB ASP 21 6.464 3.396 -9.279 146 H MET 22 H MET 22 3.326 1.196 -7.417 147 HA MET 22 HA MET 22 5.658 0.707 -5.683 148 1HB MET 22 2HB MET 22 2.829 0.280 -5.507 149 2HB MET 22 1HB MET 22 3.643 -1.273 -5.308 150 1HG MET 22 2HG MET 22 3.883 -0.598 -3.144 151 2HG MET 22 1HG MET 22 5.235 0.336 -3.785 152 1HE MET 22 1HE MET 22 3.576 2.069 -1.004 153 2HE MET 22 2HE MET 22 4.770 2.983 -1.922 154 3HE MET 22 3HE MET 22 4.982 1.248 -1.696 155 H ALA 23 H ALA 23 6.629 0.151 -8.051 156 HA ALA 23 HA ALA 23 7.260 -2.640 -7.987 157 1HB ALA 23 1HB ALA 23 4.865 -1.929 -9.445 158 2HB ALA 23 2HB ALA 23 5.559 -3.527 -9.168 159 3HB ALA 23 3HB ALA 23 6.083 -2.565 -10.551 160 H ALA 24 H ALA 24 6.924 0.199 -10.119 161 HA ALA 24 HA ALA 24 9.109 -0.473 -11.849 162 1HB ALA 24 1HB ALA 24 8.355 2.367 -11.180 163 2HB ALA 24 2HB ALA 24 7.264 1.350 -12.117 164 3HB ALA 24 3HB ALA 24 8.881 1.699 -12.725 165 H LYS 25 H LYS 25 8.942 1.021 -8.682 166 HA LYS 25 HA LYS 25 11.680 2.021 -8.739 167 1HB LYS 25 2HB LYS 25 9.415 2.191 -6.981 168 2HB LYS 25 1HB LYS 25 10.807 1.626 -6.056 169 1HG LYS 25 2HG LYS 25 11.479 3.779 -5.971 170 2HG LYS 25 1HG LYS 25 11.846 3.637 -7.691 171 1HD LYS 25 2HD LYS 25 10.331 5.304 -7.961 172 2HD LYS 25 1HD LYS 25 9.122 4.044 -7.712 173 1HE LYS 25 2HE LYS 25 8.714 4.674 -5.523 174 2HE LYS 25 1HE LYS 25 10.336 5.328 -5.298 175 1HZ LYS 25 1HZ LYS 25 9.128 7.238 -5.476 176 2HZ LYS 25 2HZ LYS 25 7.983 6.564 -6.536 177 3HZ LYS 25 3HZ LYS 25 9.522 7.002 -7.109 178 H MET 26 H MET 26 10.039 -0.873 -7.505 179 HA MET 26 HA MET 26 12.112 -2.046 -6.026 180 1HB MET 26 2HB MET 26 10.036 -3.294 -7.843 181 2HB MET 26 1HB MET 26 11.130 -4.256 -6.847 182 1HG MET 26 2HG MET 26 10.077 -2.246 -5.156 183 2HG MET 26 1HG MET 26 8.712 -2.892 -6.066 184 1HE MET 26 1HE MET 26 8.374 -4.745 -2.724 185 2HE MET 26 2HE MET 26 7.439 -4.186 -4.109 186 3HE MET 26 3HE MET 26 8.516 -3.070 -3.275 187 H SER 27 H SER 27 11.475 -2.543 -9.520 188 HA SER 27 HA SER 27 13.934 -3.951 -9.988 189 1HB SER 27 2HB SER 27 12.285 -2.351 -11.966 190 2HB SER 27 1HB SER 27 13.458 -3.603 -12.359 191 HG SER 27 HG SER 27 12.137 -5.117 -11.449 192 H LYS 28 H LYS 28 13.018 -0.528 -10.269 193 HA LYS 28 HA LYS 28 15.426 0.417 -11.453 194 1HB LYS 28 2HB LYS 28 13.254 1.712 -11.040 195 2HB LYS 28 1HB LYS 28 13.823 1.939 -9.387 196 1HG LYS 28 2HG LYS 28 14.956 3.737 -10.145 197 2HG LYS 28 1HG LYS 28 16.031 2.600 -10.959 198 1HD LYS 28 2HD LYS 28 15.330 3.397 -12.942 199 2HD LYS 28 1HD LYS 28 13.705 2.821 -12.570 200 1HE LYS 28 2HE LYS 28 13.424 5.142 -12.946 201 2HE LYS 28 1HE LYS 28 13.452 4.986 -11.189 202 1HZ LYS 28 1HZ LYS 28 15.563 5.846 -11.053 203 2HZ LYS 28 2HZ LYS 28 14.926 6.753 -12.342 204 3HZ LYS 28 3HZ LYS 28 15.962 5.442 -12.652 205 H LYS 29 H LYS 29 14.785 -0.789 -8.285 206 HA LYS 29 HA LYS 29 16.796 0.574 -6.795 207 1HB LYS 29 2HB LYS 29 14.918 -1.274 -6.164 208 2HB LYS 29 1HB LYS 29 16.353 -2.300 -6.192 209 1HG LYS 29 2HG LYS 29 16.575 -1.569 -4.037 210 2HG LYS 29 1HG LYS 29 17.329 -0.178 -4.819 211 1HD LYS 29 2HD LYS 29 14.517 0.242 -4.895 212 2HD LYS 29 1HD LYS 29 14.926 -0.252 -3.252 213 1HE LYS 29 2HE LYS 29 16.765 1.711 -4.501 214 2HE LYS 29 1HE LYS 29 15.146 2.305 -4.128 215 1HZ LYS 29 1HZ LYS 29 16.254 2.661 -2.165 216 2HZ LYS 29 2HZ LYS 29 17.211 1.264 -2.309 217 3HZ LYS 29 3HZ LYS 29 15.572 1.134 -1.875 218 H LYS 30 H LYS 30 16.956 -2.575 -8.498 219 HA LYS 30 HA LYS 30 19.899 -2.556 -8.192 220 1HB LYS 30 2HB LYS 30 18.180 -4.610 -8.058 221 2HB LYS 30 1HB LYS 30 18.505 -4.654 -9.791 222 1HG LYS 30 2HG LYS 30 20.309 -5.905 -9.172 223 2HG LYS 30 1HG LYS 30 21.030 -4.336 -8.815 224 1HD LYS 30 2HD LYS 30 19.335 -5.557 -6.690 225 2HD LYS 30 1HD LYS 30 20.912 -6.294 -6.982 226 1HE LYS 30 2HE LYS 30 21.801 -4.659 -5.707 227 2HE LYS 30 1HE LYS 30 21.406 -3.537 -7.010 228 1HZ LYS 30 1HZ LYS 30 20.015 -4.032 -4.493 229 2HZ LYS 30 2HZ LYS 30 19.052 -3.691 -5.853 230 3HZ LYS 30 3HZ LYS 30 20.234 -2.581 -5.345 231 H ALA 31 H ALA 31 18.760 -0.494 -9.843 232 HA ALA 31 HA ALA 31 19.674 -1.378 -12.553 233 1HB ALA 31 1HB ALA 31 18.325 0.568 -13.396 234 2HB ALA 31 2HB ALA 31 17.743 0.818 -11.751 235 3HB ALA 31 3HB ALA 31 17.350 -0.673 -12.608 236 H GLY 32 H GLY 32 19.214 1.945 -11.477 237 1HA GLY 32 2HA GLY 32 22.108 2.357 -11.122 238 2HA GLY 32 1HA GLY 32 21.402 3.146 -12.534 239 H ARG 33 H ARG 33 22.518 4.202 -9.887 240 HA ARG 33 HA ARG 33 20.192 5.418 -8.588 241 1HB ARG 33 2HB ARG 33 23.175 5.879 -8.283 242 2HB ARG 33 1HB ARG 33 21.946 6.673 -7.297 243 1HG ARG 33 2HG ARG 33 21.516 3.797 -7.417 244 2HG ARG 33 1HG ARG 33 23.117 4.186 -6.789 245 1HD ARG 33 2HD ARG 33 20.698 5.661 -5.778 246 2HD ARG 33 1HD ARG 33 21.112 4.079 -5.121 247 HE ARG 33 HE ARG 33 23.376 5.912 -5.148 248 1HH1 ARG 33 1HH1 ARG 33 22.892 3.835 -3.048 249 2HH1 ARG 33 2HH1 ARG 33 22.411 4.796 -1.689 250 1HH2 ARG 33 1HH2 ARG 33 21.737 7.617 -3.589 251 2HH2 ARG 33 2HH2 ARG 33 21.755 6.936 -1.997 252 H GLY 34 H GLY 34 19.239 7.281 -9.252 253 1HA GLY 34 2HA GLY 34 20.803 9.063 -11.081 254 2HA GLY 34 1HA GLY 34 19.071 8.787 -11.271 Start of MODEL 4 1 1H MET 1 1HT MET 1 3.509 -18.511 -11.539 2 2H MET 1 2HT MET 1 4.725 -18.998 -12.622 3 3H MET 1 3HT MET 1 3.747 -20.160 -11.859 4 HA MET 1 HA MET 1 2.399 -20.110 -13.597 5 1HB MET 1 2HB MET 1 1.998 -17.479 -12.275 6 2HB MET 1 1HB MET 1 1.327 -17.643 -13.898 7 1HG MET 1 2HG MET 1 0.858 -19.722 -11.758 8 2HG MET 1 1HG MET 1 -0.205 -18.330 -11.959 9 1HE MET 1 1HE MET 1 1.149 -21.605 -13.244 10 2HE MET 1 2HE MET 1 -0.268 -22.217 -14.095 11 3HE MET 1 3HE MET 1 -0.395 -21.769 -12.395 12 H GLY 2 H GLY 2 2.663 -19.975 -15.799 13 1HA GLY 2 2HA GLY 2 4.584 -17.918 -16.796 14 2HA GLY 2 1HA GLY 2 4.502 -19.549 -17.441 15 H LYS 3 H LYS 3 1.473 -18.571 -16.721 16 HA LYS 3 HA LYS 3 0.982 -17.646 -19.520 17 1HB LYS 3 2HB LYS 3 -0.185 -19.806 -17.990 18 2HB LYS 3 1HB LYS 3 -1.431 -18.646 -18.455 19 1HG LYS 3 2HG LYS 3 -0.879 -18.840 -20.776 20 2HG LYS 3 1HG LYS 3 0.605 -19.722 -20.416 21 1HD LYS 3 2HD LYS 3 -1.000 -21.360 -21.119 22 2HD LYS 3 1HD LYS 3 -0.858 -21.522 -19.368 23 1HE LYS 3 2HE LYS 3 -2.952 -20.636 -18.975 24 2HE LYS 3 1HE LYS 3 -2.912 -19.627 -20.421 25 1HZ LYS 3 1HZ LYS 3 -3.036 -21.777 -21.704 26 2HZ LYS 3 2HZ LYS 3 -4.444 -21.325 -20.868 27 3HZ LYS 3 3HZ LYS 3 -3.430 -22.534 -20.239 28 H ALA 4 H ALA 4 0.985 -16.641 -16.342 29 HA ALA 4 HA ALA 4 -0.935 -14.459 -17.006 30 1HB ALA 4 1HB ALA 4 -1.893 -14.555 -14.764 31 2HB ALA 4 2HB ALA 4 -0.807 -15.874 -14.328 32 3HB ALA 4 3HB ALA 4 -2.065 -16.131 -15.537 33 H GLU 5 H GLU 5 2.161 -15.199 -16.272 34 HA GLU 5 HA GLU 5 2.734 -13.233 -14.213 35 1HB GLU 5 2HB GLU 5 4.255 -15.108 -15.897 36 2HB GLU 5 1HB GLU 5 5.112 -13.606 -15.548 37 1HG GLU 5 2HG GLU 5 4.423 -13.971 -13.100 38 2HG GLU 5 1HG GLU 5 3.996 -15.613 -13.584 39 H ASN 6 H ASN 6 3.871 -13.268 -17.608 40 HA ASN 6 HA ASN 6 4.470 -10.500 -17.718 41 1HB ASN 6 2HB ASN 6 4.984 -12.462 -19.398 42 2HB ASN 6 1HB ASN 6 3.472 -11.954 -20.150 43 1HD2 ASN 6 1HD2 ASN 6 3.361 -9.433 -20.521 44 2HD2 ASN 6 2HD2 ASN 6 4.789 -8.702 -21.073 45 H TYR 7 H TYR 7 1.423 -12.153 -17.885 46 HA TYR 7 HA TYR 7 -0.098 -10.195 -19.305 47 1HB TYR 7 2HB TYR 7 -1.089 -12.340 -18.936 48 2HB TYR 7 1HB TYR 7 -0.855 -12.221 -17.193 49 HD1 TYR 7 1HD TYR 7 -2.046 -9.520 -19.456 50 HD2 TYR 7 2HD TYR 7 -3.106 -12.365 -16.417 51 HE1 TYR 7 1HE TYR 7 -4.272 -8.448 -19.227 52 HE2 TYR 7 2HE TYR 7 -5.330 -11.293 -16.187 53 HH TYR 7 HH TYR 7 -6.790 -9.650 -18.160 54 H GLU 8 H GLU 8 -0.373 -10.758 -15.787 55 HA GLU 8 HA GLU 8 -1.465 -8.215 -15.204 56 1HB GLU 8 2HB GLU 8 -0.244 -10.418 -13.669 57 2HB GLU 8 1HB GLU 8 -0.115 -8.835 -12.900 58 1HG GLU 8 2HG GLU 8 -2.640 -8.598 -13.502 59 2HG GLU 8 1HG GLU 8 -2.594 -10.353 -13.683 60 H LEU 9 H LEU 9 1.928 -9.270 -14.722 61 HA LEU 9 HA LEU 9 3.013 -6.824 -13.924 62 1HB LEU 9 2HB LEU 9 4.024 -9.289 -15.109 63 2HB LEU 9 1HB LEU 9 4.956 -7.881 -15.622 64 HG LEU 9 HG LEU 9 4.472 -7.501 -12.874 65 1HD1 LEU 9 1HD1 LEU 9 5.707 -10.220 -13.224 66 2HD1 LEU 9 2HD1 LEU 9 3.955 -10.063 -13.083 67 3HD1 LEU 9 3HD1 LEU 9 4.998 -9.499 -11.778 68 1HD2 LEU 9 1HD2 LEU 9 6.789 -7.332 -12.784 69 2HD2 LEU 9 2HD2 LEU 9 6.523 -7.136 -14.516 70 3HD2 LEU 9 3HD2 LEU 9 7.033 -8.696 -13.873 71 H TYR 10 H TYR 10 1.881 -7.741 -17.104 72 HA TYR 10 HA TYR 10 3.256 -5.562 -18.475 73 1HB TYR 10 2HB TYR 10 2.654 -7.548 -19.743 74 2HB TYR 10 1HB TYR 10 0.953 -7.339 -19.323 75 HD1 TYR 10 1HD TYR 10 -0.444 -5.813 -20.519 76 HD2 TYR 10 2HD TYR 10 3.802 -5.819 -21.170 77 HE1 TYR 10 1HE TYR 10 -0.740 -4.314 -22.473 78 HE2 TYR 10 2HE TYR 10 3.504 -4.321 -23.123 79 HH TYR 10 HH TYR 10 1.110 -3.933 -24.794 80 H GLN 11 H GLN 11 -0.059 -6.135 -17.291 81 HA GLN 11 HA GLN 11 -1.231 -3.743 -18.251 82 1HB GLN 11 2HB GLN 11 -1.774 -5.418 -15.793 83 2HB GLN 11 1HB GLN 11 -2.744 -3.998 -16.189 84 1HG GLN 11 2HG GLN 11 -2.412 -5.643 -18.540 85 2HG GLN 11 1HG GLN 11 -3.049 -6.614 -17.213 86 1HE2 GLN 11 1HE2 GLN 11 -4.523 -4.521 -15.862 87 2HE2 GLN 11 2HE2 GLN 11 -5.818 -4.072 -16.864 88 H VAL 12 H VAL 12 0.357 -4.355 -15.104 89 HA VAL 12 HA VAL 12 0.121 -1.663 -14.158 90 HB VAL 12 HB VAL 12 0.656 -3.592 -12.690 91 1HG1 VAL 12 1HG1 VAL 12 3.519 -3.543 -13.430 92 2HG1 VAL 12 2HG1 VAL 12 2.456 -4.273 -14.633 93 3HG1 VAL 12 3HG1 VAL 12 2.495 -4.909 -12.987 94 1HG2 VAL 12 1HG2 VAL 12 2.900 -2.359 -11.770 95 2HG2 VAL 12 2HG2 VAL 12 1.272 -1.735 -11.500 96 3HG2 VAL 12 3HG2 VAL 12 2.255 -1.094 -12.817 97 H GLU 13 H GLU 13 2.478 -3.267 -16.224 98 HA GLU 13 HA GLU 13 4.536 -1.294 -16.096 99 1HB GLU 13 2HB GLU 13 3.725 -3.360 -18.123 100 2HB GLU 13 1HB GLU 13 4.974 -2.183 -18.528 101 1HG GLU 13 2HG GLU 13 5.517 -3.166 -15.902 102 2HG GLU 13 1HG GLU 13 5.233 -4.553 -16.953 103 H LEU 14 H LEU 14 1.444 -1.320 -17.703 104 HA LEU 14 HA LEU 14 2.053 0.740 -19.642 105 1HB LEU 14 2HB LEU 14 -0.382 -0.630 -18.634 106 2HB LEU 14 1HB LEU 14 -0.624 0.981 -19.310 107 HG LEU 14 HG LEU 14 -0.796 -0.898 -20.995 108 1HD1 LEU 14 1HD1 LEU 14 1.536 0.598 -21.963 109 2HD1 LEU 14 2HD1 LEU 14 0.314 1.629 -21.217 110 3HD1 LEU 14 3HD1 LEU 14 -0.120 0.584 -22.570 111 1HD2 LEU 14 1HD2 LEU 14 2.166 -1.066 -21.090 112 2HD2 LEU 14 2HD2 LEU 14 0.958 -2.313 -21.400 113 3HD2 LEU 14 3HD2 LEU 14 1.395 -1.904 -19.743 114 H GLY 15 H GLY 15 0.199 0.854 -16.571 115 1HA GLY 15 2HA GLY 15 0.080 3.730 -16.539 116 2HA GLY 15 1HA GLY 15 -0.249 2.680 -15.161 117 HA PRO 16 HA PRO 16 4.144 4.559 -15.034 118 1HB PRO 16 2HB PRO 16 3.694 7.150 -14.237 119 2HB PRO 16 1HB PRO 16 3.881 6.668 -15.932 120 1HG PRO 16 2HG PRO 16 1.400 7.425 -14.461 121 2HG PRO 16 1HG PRO 16 1.759 7.547 -16.191 122 1HD PRO 16 2HD PRO 16 0.182 5.542 -14.960 123 2HD PRO 16 1HD PRO 16 0.817 5.501 -16.620 124 H GLY 17 H GLY 17 1.537 3.975 -13.116 125 1HA GLY 17 2HA GLY 17 2.096 5.148 -10.608 126 2HA GLY 17 1HA GLY 17 1.309 3.581 -10.813 127 HA PRO 18 HA PRO 18 5.786 3.170 -9.285 128 1HB PRO 18 2HB PRO 18 5.402 3.296 -6.565 129 2HB PRO 18 1HB PRO 18 5.833 4.699 -7.560 130 1HG PRO 18 2HG PRO 18 3.203 4.001 -6.338 131 2HG PRO 18 1HG PRO 18 3.854 5.591 -6.765 132 1HD PRO 18 2HD PRO 18 1.949 4.127 -8.261 133 2HD PRO 18 1HD PRO 18 2.858 5.543 -8.831 134 H SER 19 H SER 19 2.881 2.062 -7.499 135 HA SER 19 HA SER 19 2.189 -0.112 -6.935 136 1HB SER 19 2HB SER 19 3.654 -0.374 -9.404 137 2HB SER 19 1HB SER 19 3.986 -1.765 -8.373 138 HG SER 19 HG SER 19 1.724 -1.085 -9.710 139 H GLY 20 H GLY 20 2.726 -1.092 -5.041 140 1HA GLY 20 2HA GLY 20 4.031 -1.892 -3.264 141 2HA GLY 20 1HA GLY 20 5.225 -2.330 -4.488 142 H ASP 21 H ASP 21 3.957 0.727 -3.102 143 HA ASP 21 HA ASP 21 6.728 1.478 -2.372 144 1HB ASP 21 2HB ASP 21 5.639 2.368 -4.764 145 2HB ASP 21 1HB ASP 21 5.307 3.698 -3.652 146 H MET 22 H MET 22 5.884 1.280 -0.198 147 HA MET 22 HA MET 22 3.930 3.424 0.533 148 1HB MET 22 2HB MET 22 3.589 0.790 0.982 149 2HB MET 22 1HB MET 22 4.504 1.204 2.432 150 1HG MET 22 2HG MET 22 2.437 1.753 3.240 151 2HG MET 22 1HG MET 22 2.746 3.266 2.388 152 1HE MET 22 1HE MET 22 1.731 -0.217 2.217 153 2HE MET 22 2HE MET 22 0.523 -0.405 0.949 154 3HE MET 22 3HE MET 22 0.049 0.243 2.517 155 H ALA 23 H ALA 23 7.089 2.050 1.139 156 HA ALA 23 HA ALA 23 7.525 4.105 3.269 157 1HB ALA 23 1HB ALA 23 8.687 2.555 4.428 158 2HB ALA 23 2HB ALA 23 9.631 2.107 3.007 159 3HB ALA 23 3HB ALA 23 8.058 1.363 3.292 160 H ALA 24 H ALA 24 8.262 3.285 0.052 161 HA ALA 24 HA ALA 24 10.936 4.383 -0.083 162 1HB ALA 24 1HB ALA 24 10.789 3.453 -2.127 163 2HB ALA 24 2HB ALA 24 9.620 4.688 -2.593 164 3HB ALA 24 3HB ALA 24 9.066 3.170 -1.888 165 H LYS 25 H LYS 25 7.785 5.762 0.103 166 HA LYS 25 HA LYS 25 8.545 8.318 -1.122 167 1HB LYS 25 2HB LYS 25 6.129 7.045 -0.575 168 2HB LYS 25 1HB LYS 25 6.181 8.365 0.595 169 1HG LYS 25 2HG LYS 25 6.444 8.570 -2.415 170 2HG LYS 25 1HG LYS 25 5.161 9.235 -1.404 171 1HD LYS 25 2HD LYS 25 7.379 10.340 -0.243 172 2HD LYS 25 1HD LYS 25 7.869 10.282 -1.937 173 1HE LYS 25 2HE LYS 25 6.643 12.145 -2.265 174 2HE LYS 25 1HE LYS 25 5.205 11.164 -1.983 175 1HZ LYS 25 1HZ LYS 25 5.460 13.170 -0.524 176 2HZ LYS 25 2HZ LYS 25 6.773 12.383 0.214 177 3HZ LYS 25 3HZ LYS 25 5.218 11.703 0.294 178 H MET 26 H MET 26 8.039 7.042 2.163 179 HA MET 26 HA MET 26 8.508 9.562 3.487 180 1HB MET 26 2HB MET 26 8.699 6.694 4.449 181 2HB MET 26 1HB MET 26 8.899 8.090 5.508 182 1HG MET 26 2HG MET 26 6.613 8.865 4.521 183 2HG MET 26 1HG MET 26 6.436 7.179 4.035 184 1HE MET 26 1HE MET 26 5.090 8.979 7.656 185 2HE MET 26 2HE MET 26 5.547 9.622 6.081 186 3HE MET 26 3HE MET 26 6.730 9.585 7.388 187 H SER 27 H SER 27 10.598 7.123 2.144 188 HA SER 27 HA SER 27 12.952 8.105 3.624 189 1HB SER 27 2HB SER 27 12.856 6.126 1.334 190 2HB SER 27 1HB SER 27 14.171 6.360 2.483 191 HG SER 27 HG SER 27 13.152 5.108 3.819 192 H LYS 28 H LYS 28 12.223 7.705 0.134 193 HA LYS 28 HA LYS 28 14.252 9.215 -0.963 194 1HB LYS 28 2HB LYS 28 12.151 8.086 -2.072 195 2HB LYS 28 1HB LYS 28 11.461 9.705 -1.956 196 1HG LYS 28 2HG LYS 28 12.861 10.561 -3.541 197 2HG LYS 28 1HG LYS 28 14.226 9.580 -3.009 198 1HD LYS 28 2HD LYS 28 13.242 7.598 -4.088 199 2HD LYS 28 1HD LYS 28 11.858 8.563 -4.607 200 1HE LYS 28 2HE LYS 28 13.996 10.057 -5.511 201 2HE LYS 28 1HE LYS 28 14.558 8.404 -5.751 202 1HZ LYS 28 1HZ LYS 28 12.829 7.925 -7.169 203 2HZ LYS 28 2HZ LYS 28 13.156 9.542 -7.573 204 3HZ LYS 28 3HZ LYS 28 11.836 9.162 -6.571 205 H LYS 29 H LYS 29 11.461 10.427 0.807 206 HA LYS 29 HA LYS 29 11.784 13.193 0.081 207 1HB LYS 29 2HB LYS 29 10.147 11.636 1.902 208 2HB LYS 29 1HB LYS 29 10.711 13.117 2.678 209 1HG LYS 29 2HG LYS 29 9.680 13.297 -0.125 210 2HG LYS 29 1HG LYS 29 8.511 13.115 1.185 211 1HD LYS 29 2HD LYS 29 10.657 15.115 1.632 212 2HD LYS 29 1HD LYS 29 9.469 15.519 0.393 213 1HE LYS 29 2HE LYS 29 8.593 14.512 3.094 214 2HE LYS 29 1HE LYS 29 8.957 16.219 2.838 215 1HZ LYS 29 1HZ LYS 29 6.570 15.426 2.477 216 2HZ LYS 29 2HZ LYS 29 7.143 14.762 1.022 217 3HZ LYS 29 3HZ LYS 29 7.256 16.434 1.299 218 H LYS 30 H LYS 30 12.573 11.595 3.193 219 HA LYS 30 HA LYS 30 14.627 13.705 3.633 220 1HB LYS 30 2HB LYS 30 12.923 12.035 5.376 221 2HB LYS 30 1HB LYS 30 14.582 12.235 5.940 222 1HG LYS 30 2HG LYS 30 14.384 14.560 6.113 223 2HG LYS 30 1HG LYS 30 13.027 14.626 4.987 224 1HD LYS 30 2HD LYS 30 11.487 14.103 6.599 225 2HD LYS 30 1HD LYS 30 12.599 13.040 7.463 226 1HE LYS 30 2HE LYS 30 12.839 16.060 7.438 227 2HE LYS 30 1HE LYS 30 12.032 15.149 8.715 228 1HZ LYS 30 1HZ LYS 30 14.733 14.332 7.955 229 2HZ LYS 30 2HZ LYS 30 13.977 14.299 9.476 230 3HZ LYS 30 3HZ LYS 30 14.572 15.763 8.853 231 H ALA 31 H ALA 31 15.846 12.410 1.860 232 HA ALA 31 HA ALA 31 17.350 10.170 3.157 233 1HB ALA 31 1HB ALA 31 17.685 9.201 0.992 234 2HB ALA 31 2HB ALA 31 17.095 10.652 0.180 235 3HB ALA 31 3HB ALA 31 15.975 9.626 1.077 236 H GLY 32 H GLY 32 17.707 12.805 0.759 237 1HA GLY 32 2HA GLY 32 20.151 13.736 2.009 238 2HA GLY 32 1HA GLY 32 20.477 12.858 0.513 239 H ARG 33 H ARG 33 18.204 13.642 -0.971 240 HA ARG 33 HA ARG 33 18.232 16.603 -0.998 241 1HB ARG 33 2HB ARG 33 18.891 16.722 -3.344 242 2HB ARG 33 1HB ARG 33 20.144 15.875 -2.434 243 1HG ARG 33 2HG ARG 33 18.302 13.891 -3.224 244 2HG ARG 33 1HG ARG 33 18.544 14.913 -4.642 245 1HD ARG 33 2HD ARG 33 20.635 14.127 -4.953 246 2HD ARG 33 1HD ARG 33 21.054 14.394 -3.261 247 HE ARG 33 HE ARG 33 19.678 11.930 -4.253 248 1HH1 ARG 33 1HH2 ARG 33 20.827 13.605 -1.553 249 2HH1 ARG 33 2HH2 ARG 33 21.650 12.249 -0.856 250 1HH2 ARG 33 1HH1 ARG 33 21.125 10.187 -3.595 251 2HH2 ARG 33 2HH1 ARG 33 21.820 10.314 -2.014 252 H GLY 34 H GLY 34 16.527 17.465 -2.433 253 1HA GLY 34 2HA GLY 34 14.458 15.427 -3.143 254 2HA GLY 34 1HA GLY 34 14.016 16.887 -2.255 Start of MODEL 5 1 1H MET 1 1HT MET 1 0.446 -21.575 -10.795 2 2H MET 1 2HT MET 1 -1.217 -21.568 -10.450 3 3H MET 1 3HT MET 1 -0.473 -20.180 -11.088 4 HA MET 1 HA MET 1 -0.789 -22.780 -12.489 5 1HB MET 1 2HB MET 1 -2.916 -21.665 -12.389 6 2HB MET 1 1HB MET 1 -2.179 -20.101 -12.743 7 1HG MET 1 2HG MET 1 -2.288 -20.475 -14.961 8 2HG MET 1 1HG MET 1 -1.494 -22.039 -14.788 9 1HE MET 1 1HE MET 1 -4.291 -19.891 -14.834 10 2HE MET 1 2HE MET 1 -5.486 -20.710 -13.830 11 3HE MET 1 3HE MET 1 -5.598 -20.816 -15.586 12 H GLY 2 H GLY 2 0.234 -19.364 -12.682 13 1HA GLY 2 2HA GLY 2 2.150 -18.514 -13.793 14 2HA GLY 2 1HA GLY 2 2.492 -20.139 -14.385 15 H LYS 3 H LYS 3 2.855 -18.434 -16.308 16 HA LYS 3 HA LYS 3 2.195 -18.118 -18.551 17 1HB LYS 3 2HB LYS 3 0.455 -20.117 -17.692 18 2HB LYS 3 1HB LYS 3 -0.618 -18.852 -18.289 19 1HG LYS 3 2HG LYS 3 1.140 -18.793 -20.288 20 2HG LYS 3 1HG LYS 3 1.429 -20.455 -19.767 21 1HD LYS 3 2HD LYS 3 -1.295 -19.300 -20.439 22 2HD LYS 3 1HD LYS 3 -0.336 -20.315 -21.517 23 1HE LYS 3 2HE LYS 3 -1.042 -22.183 -20.480 24 2HE LYS 3 1HE LYS 3 -0.545 -21.550 -18.911 25 1HZ LYS 3 1HZ LYS 3 -2.695 -21.382 -18.449 26 2HZ LYS 3 2HZ LYS 3 -3.151 -21.704 -20.053 27 3HZ LYS 3 3HZ LYS 3 -2.781 -20.117 -19.574 28 H ALA 4 H ALA 4 0.883 -16.734 -15.801 29 HA ALA 4 HA ALA 4 -0.444 -14.606 -17.435 30 1HB ALA 4 1HB ALA 4 -2.184 -15.529 -16.131 31 2HB ALA 4 2HB ALA 4 -1.663 -14.128 -15.194 32 3HB ALA 4 3HB ALA 4 -1.135 -15.745 -14.728 33 H GLU 5 H GLU 5 2.121 -15.387 -15.363 34 HA GLU 5 HA GLU 5 2.549 -13.159 -13.755 35 1HB GLU 5 2HB GLU 5 4.043 -15.270 -14.218 36 2HB GLU 5 1HB GLU 5 4.827 -14.221 -15.401 37 1HG GLU 5 2HG GLU 5 4.571 -12.623 -13.121 38 2HG GLU 5 1HG GLU 5 5.047 -14.204 -12.499 39 H ASN 6 H ASN 6 3.595 -13.466 -17.172 40 HA ASN 6 HA ASN 6 4.472 -10.736 -17.366 41 1HB ASN 6 2HB ASN 6 4.734 -11.152 -19.689 42 2HB ASN 6 1HB ASN 6 5.047 -12.704 -18.917 43 1HD2 ASN 6 1HD2 ASN 6 2.969 -11.031 -21.146 44 2HD2 ASN 6 2HD2 ASN 6 1.914 -12.325 -21.453 45 H TYR 7 H TYR 7 1.463 -12.353 -18.363 46 HA TYR 7 HA TYR 7 0.050 -10.361 -19.611 47 1HB TYR 7 2HB TYR 7 -1.050 -12.444 -19.216 48 2HB TYR 7 1HB TYR 7 -0.888 -12.276 -17.468 49 HD1 TYR 7 1HD TYR 7 -2.623 -10.978 -20.475 50 HD2 TYR 7 2HD TYR 7 -2.425 -10.941 -16.184 51 HE1 TYR 7 1HE TYR 7 -4.812 -9.818 -20.386 52 HE2 TYR 7 2HE TYR 7 -4.615 -9.779 -16.094 53 HH TYR 7 HH TYR 7 -5.907 -8.138 -18.069 54 H GLU 8 H GLU 8 -0.167 -10.752 -16.054 55 HA GLU 8 HA GLU 8 -1.305 -8.167 -15.627 56 1HB GLU 8 2HB GLU 8 -0.088 -10.287 -13.944 57 2HB GLU 8 1HB GLU 8 -0.094 -8.663 -13.255 58 1HG GLU 8 2HG GLU 8 -2.607 -8.682 -14.133 59 2HG GLU 8 1HG GLU 8 -2.398 -10.427 -13.973 60 H LEU 9 H LEU 9 2.072 -9.311 -15.411 61 HA LEU 9 HA LEU 9 3.363 -7.034 -14.496 62 1HB LEU 9 2HB LEU 9 4.080 -9.300 -16.177 63 2HB LEU 9 1HB LEU 9 4.939 -7.842 -16.669 64 HG LEU 9 HG LEU 9 4.798 -8.873 -13.821 65 1HD1 LEU 9 1HD1 LEU 9 6.360 -10.351 -14.524 66 2HD1 LEU 9 2HD1 LEU 9 7.434 -8.962 -14.696 67 3HD1 LEU 9 3HD1 LEU 9 6.523 -9.551 -16.087 68 1HD2 LEU 9 1HD2 LEU 9 5.265 -6.630 -13.545 69 2HD2 LEU 9 2HD2 LEU 9 5.952 -6.467 -15.162 70 3HD2 LEU 9 3HD2 LEU 9 6.900 -7.208 -13.871 71 H TYR 10 H TYR 10 1.741 -7.497 -17.555 72 HA TYR 10 HA TYR 10 2.866 -5.119 -18.814 73 1HB TYR 10 2HB TYR 10 1.826 -7.195 -19.967 74 2HB TYR 10 1HB TYR 10 0.274 -6.443 -19.602 75 HD1 TYR 10 1HD TYR 10 3.629 -5.295 -20.849 76 HD2 TYR 10 2HD TYR 10 -0.637 -5.211 -21.346 77 HE1 TYR 10 1HE TYR 10 3.887 -3.805 -22.815 78 HE2 TYR 10 2HE TYR 10 -0.378 -3.720 -23.311 79 HH TYR 10 HH TYR 10 2.216 -3.372 -25.024 80 H GLN 11 H GLN 11 -0.385 -5.928 -17.541 81 HA GLN 11 HA GLN 11 -1.623 -3.457 -17.812 82 1HB GLN 11 2HB GLN 11 -1.790 -5.332 -15.433 83 2HB GLN 11 1HB GLN 11 -2.940 -4.039 -15.779 84 1HG GLN 11 2HG GLN 11 -3.000 -5.251 -18.163 85 2HG GLN 11 1HG GLN 11 -2.537 -6.643 -17.182 86 1HE2 GLN 11 1HE2 GLN 11 -5.237 -5.218 -18.415 87 2HE2 GLN 11 2HE2 GLN 11 -6.364 -5.619 -17.210 88 H VAL 12 H VAL 12 0.525 -4.462 -15.137 89 HA VAL 12 HA VAL 12 0.381 -1.896 -13.805 90 HB VAL 12 HB VAL 12 1.038 -3.945 -12.600 91 1HG1 VAL 12 1HG1 VAL 12 2.915 -5.212 -13.138 92 2HG1 VAL 12 2HG1 VAL 12 3.717 -3.867 -13.949 93 3HG1 VAL 12 3HG1 VAL 12 2.386 -4.707 -14.744 94 1HG2 VAL 12 1HG2 VAL 12 1.822 -1.950 -11.567 95 2HG2 VAL 12 2HG2 VAL 12 3.056 -1.702 -12.803 96 3HG2 VAL 12 3HG2 VAL 12 3.235 -3.005 -11.628 97 H GLU 13 H GLU 13 2.657 -3.375 -16.100 98 HA GLU 13 HA GLU 13 4.687 -1.439 -16.085 99 1HB GLU 13 2HB GLU 13 3.554 -3.224 -18.219 100 2HB GLU 13 1HB GLU 13 4.762 -2.015 -18.657 101 1HG GLU 13 2HG GLU 13 5.240 -3.817 -16.298 102 2HG GLU 13 1HG GLU 13 5.557 -4.404 -17.930 103 H LEU 14 H LEU 14 1.469 -1.269 -17.515 104 HA LEU 14 HA LEU 14 1.990 1.127 -19.060 105 1HB LEU 14 2HB LEU 14 -0.388 -0.492 -18.313 106 2HB LEU 14 1HB LEU 14 -0.690 1.202 -18.702 107 HG LEU 14 HG LEU 14 -0.793 -0.377 -20.684 108 1HD1 LEU 14 1HD1 LEU 14 -0.365 1.517 -21.820 109 2HD1 LEU 14 2HD1 LEU 14 1.366 1.259 -21.601 110 3HD1 LEU 14 3HD1 LEU 14 0.453 2.180 -20.404 111 1HD2 LEU 14 1HD2 LEU 14 1.143 -1.449 -21.465 112 2HD2 LEU 14 2HD2 LEU 14 1.295 -1.640 -19.719 113 3HD2 LEU 14 3HD2 LEU 14 2.215 -0.387 -20.553 114 H GLY 15 H GLY 15 0.241 0.582 -15.978 115 1HA GLY 15 2HA GLY 15 0.264 1.997 -14.066 116 2HA GLY 15 1HA GLY 15 1.250 3.150 -14.967 117 HA PRO 16 HA PRO 16 -2.877 5.062 -14.857 118 1HB PRO 16 2HB PRO 16 -1.891 7.603 -14.495 119 2HB PRO 16 1HB PRO 16 -2.203 6.475 -13.163 120 1HG PRO 16 2HG PRO 16 0.406 7.311 -14.340 121 2HG PRO 16 1HG PRO 16 0.049 6.720 -12.709 122 1HD PRO 16 2HD PRO 16 1.200 5.207 -14.813 123 2HD PRO 16 1HD PRO 16 0.559 4.562 -13.288 124 H GLY 17 H GLY 17 -0.200 7.023 -16.213 125 1HA GLY 17 2HA GLY 17 -0.646 6.590 -18.941 126 2HA GLY 17 1HA GLY 17 -1.776 7.864 -18.481 127 HA PRO 18 HA PRO 18 2.680 9.461 -18.962 128 1HB PRO 18 2HB PRO 18 2.813 9.895 -21.675 129 2HB PRO 18 1HB PRO 18 3.385 8.412 -20.891 130 1HG PRO 18 2HG PRO 18 0.920 8.847 -22.512 131 2HG PRO 18 1HG PRO 18 1.842 7.356 -22.248 132 1HD PRO 18 2HD PRO 18 -0.586 8.056 -20.969 133 2HD PRO 18 1HD PRO 18 0.508 6.741 -20.489 134 H SER 19 H SER 19 0.528 10.541 -21.610 135 HA SER 19 HA SER 19 -0.201 12.721 -22.130 136 1HB SER 19 2HB SER 19 -0.855 12.309 -19.223 137 2HB SER 19 1HB SER 19 -1.217 13.847 -20.000 138 HG SER 19 HG SER 19 -1.948 11.426 -21.231 139 H GLY 20 H GLY 20 2.240 13.168 -22.421 140 1HA GLY 20 2HA GLY 20 3.533 15.240 -22.290 141 2HA GLY 20 1HA GLY 20 2.955 15.448 -20.637 142 H ASP 21 H ASP 21 4.242 12.468 -22.066 143 HA ASP 21 HA ASP 21 6.503 12.649 -20.111 144 1HB ASP 21 2HB ASP 21 4.598 10.471 -20.746 145 2HB ASP 21 1HB ASP 21 6.285 9.977 -20.606 146 H MET 22 H MET 22 5.558 12.281 -23.390 147 HA MET 22 HA MET 22 8.371 11.554 -24.108 148 1HB MET 22 2HB MET 22 5.733 10.781 -25.329 149 2HB MET 22 1HB MET 22 7.181 10.836 -26.334 150 1HG MET 22 2HG MET 22 8.282 9.185 -25.029 151 2HG MET 22 1HG MET 22 7.125 9.346 -23.707 152 1HE MET 22 1HE MET 22 8.491 7.669 -26.182 153 2HE MET 22 2HE MET 22 7.366 7.356 -27.502 154 3HE MET 22 3HE MET 22 7.538 6.179 -26.203 155 H ALA 23 H ALA 23 7.121 14.237 -23.628 156 HA ALA 23 HA ALA 23 7.926 15.431 -26.227 157 1HB ALA 23 1HB ALA 23 5.441 16.342 -24.759 158 2HB ALA 23 2HB ALA 23 5.391 15.202 -26.104 159 3HB ALA 23 3HB ALA 23 5.991 16.840 -26.359 160 H ALA 24 H ALA 24 8.668 15.213 -23.152 161 HA ALA 24 HA ALA 24 8.650 17.943 -22.212 162 1HB ALA 24 1HB ALA 24 10.305 15.533 -21.415 163 2HB ALA 24 2HB ALA 24 8.873 16.159 -20.598 164 3HB ALA 24 3HB ALA 24 10.375 17.083 -20.578 165 H LYS 25 H LYS 25 11.282 15.897 -23.533 166 HA LYS 25 HA LYS 25 13.233 17.968 -23.636 167 1HB LYS 25 2HB LYS 25 13.087 15.750 -25.674 168 2HB LYS 25 1HB LYS 25 14.517 16.497 -24.963 169 1HG LYS 25 2HG LYS 25 12.989 15.471 -22.807 170 2HG LYS 25 1HG LYS 25 13.043 14.205 -24.036 171 1HD LYS 25 2HD LYS 25 15.609 14.935 -24.143 172 2HD LYS 25 1HD LYS 25 15.277 15.437 -22.484 173 1HE LYS 25 2HE LYS 25 15.355 13.303 -21.783 174 2HE LYS 25 1HE LYS 25 14.103 12.850 -22.941 175 1HZ LYS 25 1HZ LYS 25 16.036 11.595 -23.439 176 2HZ LYS 25 2HZ LYS 25 17.029 12.974 -23.411 177 3HZ LYS 25 3HZ LYS 25 15.887 12.770 -24.652 178 H MET 26 H MET 26 10.781 16.943 -25.997 179 HA MET 26 HA MET 26 11.599 18.543 -28.180 180 1HB MET 26 2HB MET 26 9.046 17.327 -27.273 181 2HB MET 26 1HB MET 26 8.902 18.660 -28.419 182 1HG MET 26 2HG MET 26 11.012 16.732 -29.109 183 2HG MET 26 1HG MET 26 9.389 16.042 -29.114 184 1HE MET 26 1HE MET 26 7.659 16.458 -30.333 185 2HE MET 26 2HE MET 26 7.536 17.320 -31.864 186 3HE MET 26 3HE MET 26 7.301 18.190 -30.351 187 H SER 27 H SER 27 9.392 19.365 -25.493 188 HA SER 27 HA SER 27 9.097 22.119 -26.371 189 1HB SER 27 2HB SER 27 7.385 20.968 -24.988 190 2HB SER 27 1HB SER 27 8.538 20.873 -23.660 191 HG SER 27 HG SER 27 6.971 22.926 -24.431 192 H LYS 28 H LYS 28 11.514 20.386 -24.700 193 HA LYS 28 HA LYS 28 12.516 22.623 -23.113 194 1HB LYS 28 2HB LYS 28 12.864 19.978 -22.872 195 2HB LYS 28 1HB LYS 28 14.287 20.338 -23.849 196 1HG LYS 28 2HG LYS 28 13.760 22.159 -21.558 197 2HG LYS 28 1HG LYS 28 14.295 20.527 -21.161 198 1HD LYS 28 2HD LYS 28 16.350 20.796 -22.204 199 2HD LYS 28 1HD LYS 28 15.747 22.035 -23.305 200 1HE LYS 28 2HE LYS 28 15.704 23.685 -21.561 201 2HE LYS 28 1HE LYS 28 16.007 22.466 -20.321 202 1HZ LYS 28 1HZ LYS 28 17.858 23.820 -22.045 203 2HZ LYS 28 2HZ LYS 28 18.069 22.134 -22.046 204 3HZ LYS 28 3HZ LYS 28 18.137 23.001 -20.586 205 H LYS 29 H LYS 29 13.025 21.344 -26.332 206 HA LYS 29 HA LYS 29 15.521 22.647 -26.885 207 1HB LYS 29 2HB LYS 29 13.709 21.002 -28.283 208 2HB LYS 29 1HB LYS 29 13.809 22.495 -29.216 209 1HG LYS 29 2HG LYS 29 15.826 21.884 -29.998 210 2HG LYS 29 1HG LYS 29 16.448 21.811 -28.348 211 1HD LYS 29 2HD LYS 29 15.967 19.526 -28.130 212 2HD LYS 29 1HD LYS 29 14.785 19.553 -29.439 213 1HE LYS 29 2HE LYS 29 16.400 19.459 -31.090 214 2HE LYS 29 1HE LYS 29 17.618 20.253 -30.090 215 1HZ LYS 29 1HZ LYS 29 17.367 18.103 -28.673 216 2HZ LYS 29 2HZ LYS 29 18.347 18.101 -30.061 217 3HZ LYS 29 3HZ LYS 29 16.784 17.439 -30.119 218 H LYS 30 H LYS 30 12.252 23.573 -28.024 219 HA LYS 30 HA LYS 30 12.523 26.320 -27.220 220 1HB LYS 30 2HB LYS 30 14.094 25.838 -29.372 221 2HB LYS 30 1HB LYS 30 12.571 26.196 -30.188 222 1HG LYS 30 2HG LYS 30 12.731 28.393 -29.706 223 2HG LYS 30 1HG LYS 30 13.086 28.061 -28.010 224 1HD LYS 30 2HD LYS 30 15.197 27.609 -30.106 225 2HD LYS 30 1HD LYS 30 14.911 29.230 -29.473 226 1HE LYS 30 2HE LYS 30 15.988 28.744 -27.556 227 2HE LYS 30 1HE LYS 30 15.011 27.295 -27.317 228 1HZ LYS 30 1HZ LYS 30 17.241 27.370 -29.254 229 2HZ LYS 30 2HZ LYS 30 16.471 26.012 -28.584 230 3HZ LYS 30 3HZ LYS 30 17.491 26.977 -27.624 231 H ALA 31 H ALA 31 10.445 24.707 -26.766 232 HA ALA 31 HA ALA 31 8.393 25.541 -28.779 233 1HB ALA 31 1HB ALA 31 9.063 22.949 -28.134 234 2HB ALA 31 2HB ALA 31 7.505 23.451 -28.792 235 3HB ALA 31 3HB ALA 31 7.705 23.259 -27.051 236 H GLY 32 H GLY 32 8.530 24.378 -25.387 237 1HA GLY 32 2HA GLY 32 6.192 25.539 -24.435 238 2HA GLY 32 1HA GLY 32 7.640 25.372 -23.442 239 H ARG 33 H ARG 33 5.852 27.576 -23.211 240 HA ARG 33 HA ARG 33 7.076 29.840 -24.634 241 1HB ARG 33 2HB ARG 33 5.469 31.190 -23.242 242 2HB ARG 33 1HB ARG 33 4.690 29.950 -24.225 243 1HG ARG 33 2HG ARG 33 4.009 28.765 -22.409 244 2HG ARG 33 1HG ARG 33 5.531 29.023 -21.556 245 1HD ARG 33 2HD ARG 33 4.590 30.647 -20.322 246 2HD ARG 33 1HD ARG 33 4.178 31.540 -21.785 247 HE ARG 33 HE ARG 33 2.270 29.465 -21.493 248 1HH1 ARG 33 1HH2 ARG 33 2.645 32.733 -21.110 249 2HH1 ARG 33 2HH2 ARG 33 1.429 32.932 -19.893 250 1HH2 ARG 33 1HH1 ARG 33 0.995 29.528 -19.397 251 2HH2 ARG 33 2HH1 ARG 33 0.495 31.117 -18.923 252 H GLY 34 H GLY 34 8.183 28.015 -22.199 253 1HA GLY 34 2HA GLY 34 10.207 29.723 -21.330 254 2HA GLY 34 1HA GLY 34 8.878 29.994 -20.203 Start of MODEL 6 1 1H MET 1 1HT MET 1 -6.982 -23.492 -14.041 2 2H MET 1 2HT MET 1 -6.728 -24.627 -12.803 3 3H MET 1 3HT MET 1 -6.057 -24.880 -14.343 4 HA MET 1 HA MET 1 -5.152 -23.163 -12.170 5 1HB MET 1 2HB MET 1 -3.848 -24.718 -14.423 6 2HB MET 1 1HB MET 1 -2.951 -23.769 -13.236 7 1HG MET 1 2HG MET 1 -2.936 -25.668 -11.998 8 2HG MET 1 1HG MET 1 -4.616 -25.273 -11.636 9 1HE MET 1 1HE MET 1 -2.816 -27.427 -14.987 10 2HE MET 1 2HE MET 1 -2.630 -28.520 -13.617 11 3HE MET 1 3HE MET 1 -2.070 -26.856 -13.487 12 H GLY 2 H GLY 2 -3.175 -21.723 -13.211 13 1HA GLY 2 2HA GLY 2 -3.702 -20.437 -15.721 14 2HA GLY 2 1HA GLY 2 -4.395 -19.483 -14.409 15 H LYS 3 H LYS 3 -2.385 -18.322 -15.852 16 HA LYS 3 HA LYS 3 -0.190 -18.239 -13.846 17 1HB LYS 3 2HB LYS 3 0.132 -18.616 -16.834 18 2HB LYS 3 1HB LYS 3 1.441 -18.051 -15.794 19 1HG LYS 3 2HG LYS 3 -0.082 -20.570 -15.143 20 2HG LYS 3 1HG LYS 3 1.285 -20.595 -16.256 21 1HD LYS 3 2HD LYS 3 2.731 -19.606 -14.532 22 2HD LYS 3 1HD LYS 3 1.367 -19.538 -13.415 23 1HE LYS 3 2HE LYS 3 1.249 -21.887 -13.225 24 2HE LYS 3 1HE LYS 3 2.203 -22.140 -14.687 25 1HZ LYS 3 1HZ LYS 3 3.076 -21.545 -11.982 26 2HZ LYS 3 2HZ LYS 3 3.919 -20.746 -13.221 27 3HZ LYS 3 3HZ LYS 3 3.843 -22.443 -13.199 28 H ALA 4 H ALA 4 -0.741 -16.740 -17.045 29 HA ALA 4 HA ALA 4 -0.782 -14.471 -17.648 30 1HB ALA 4 1HB ALA 4 -1.875 -13.348 -15.245 31 2HB ALA 4 2HB ALA 4 -2.664 -14.895 -15.553 32 3HB ALA 4 3HB ALA 4 -2.684 -13.636 -16.786 33 H GLU 5 H GLU 5 1.581 -15.485 -16.196 34 HA GLU 5 HA GLU 5 2.521 -13.744 -14.189 35 1HB GLU 5 2HB GLU 5 3.849 -15.386 -16.316 36 2HB GLU 5 1HB GLU 5 4.826 -14.246 -15.390 37 1HG GLU 5 2HG GLU 5 2.968 -16.154 -13.985 38 2HG GLU 5 1HG GLU 5 4.575 -16.677 -14.487 39 H ASN 6 H ASN 6 3.890 -13.487 -17.461 40 HA ASN 6 HA ASN 6 4.540 -10.731 -17.199 41 1HB ASN 6 2HB ASN 6 5.208 -12.592 -18.999 42 2HB ASN 6 1HB ASN 6 3.910 -11.820 -19.909 43 1HD2 ASN 6 1HD2 ASN 6 4.739 -10.227 -21.261 44 2HD2 ASN 6 2HD2 ASN 6 6.034 -9.198 -20.882 45 H TYR 7 H TYR 7 1.530 -12.276 -17.845 46 HA TYR 7 HA TYR 7 0.193 -10.303 -19.378 47 1HB TYR 7 2HB TYR 7 -0.891 -12.413 -18.993 48 2HB TYR 7 1HB TYR 7 -0.820 -12.192 -17.245 49 HD1 TYR 7 1HD TYR 7 -2.856 -11.663 -16.269 50 HD2 TYR 7 2HD TYR 7 -1.963 -10.151 -20.190 51 HE1 TYR 7 1HE TYR 7 -5.049 -10.507 -16.322 52 HE2 TYR 7 2HE TYR 7 -4.157 -8.994 -20.243 53 HH TYR 7 HH TYR 7 -6.002 -8.430 -17.570 54 H GLU 8 H GLU 8 -0.242 -10.720 -15.849 55 HA GLU 8 HA GLU 8 -1.351 -8.156 -15.408 56 1HB GLU 8 2HB GLU 8 -0.304 -10.331 -13.777 57 2HB GLU 8 1HB GLU 8 0.063 -8.756 -13.071 58 1HG GLU 8 2HG GLU 8 -2.125 -8.295 -12.637 59 2HG GLU 8 1HG GLU 8 -2.680 -9.034 -14.139 60 H LEU 9 H LEU 9 2.044 -9.197 -14.904 61 HA LEU 9 HA LEU 9 3.190 -6.805 -14.115 62 1HB LEU 9 2HB LEU 9 4.112 -9.206 -15.454 63 2HB LEU 9 1HB LEU 9 4.971 -7.789 -16.057 64 HG LEU 9 HG LEU 9 4.588 -7.891 -13.121 65 1HD1 LEU 9 1HD1 LEU 9 6.008 -9.659 -12.657 66 2HD1 LEU 9 2HD1 LEU 9 6.822 -9.550 -14.217 67 3HD1 LEU 9 3HD1 LEU 9 5.222 -10.282 -14.108 68 1HD2 LEU 9 1HD2 LEU 9 5.881 -6.098 -14.010 69 2HD2 LEU 9 2HD2 LEU 9 6.789 -7.178 -15.068 70 3HD2 LEU 9 3HD2 LEU 9 7.057 -7.219 -13.325 71 H TYR 10 H TYR 10 1.889 -7.587 -17.274 72 HA TYR 10 HA TYR 10 3.105 -5.302 -18.612 73 1HB TYR 10 2HB TYR 10 2.397 -7.307 -19.872 74 2HB TYR 10 1HB TYR 10 0.724 -6.998 -19.415 75 HD1 TYR 10 1HD TYR 10 -0.590 -5.909 -20.994 76 HD2 TYR 10 2HD TYR 10 3.623 -5.075 -20.843 77 HE1 TYR 10 1HE TYR 10 -0.827 -4.355 -22.913 78 HE2 TYR 10 2HE TYR 10 3.383 -3.522 -22.762 79 HH TYR 10 HH TYR 10 1.768 -2.265 -23.917 80 H GLN 11 H GLN 11 -0.147 -6.035 -17.325 81 HA GLN 11 HA GLN 11 -1.382 -3.582 -18.013 82 1HB GLN 11 2HB GLN 11 -1.818 -5.566 -15.788 83 2HB GLN 11 1HB GLN 11 -2.753 -4.072 -15.844 84 1HG GLN 11 2HG GLN 11 -3.093 -4.793 -18.384 85 2HG GLN 11 1HG GLN 11 -2.787 -6.399 -17.720 86 1HE2 GLN 11 1HE2 GLN 11 -4.643 -3.497 -16.606 87 2HE2 GLN 11 2HE2 GLN 11 -6.043 -4.372 -16.209 88 H VAL 12 H VAL 12 0.699 -4.426 -15.275 89 HA VAL 12 HA VAL 12 0.322 -1.886 -13.917 90 HB VAL 12 HB VAL 12 1.058 -3.894 -12.694 91 1HG1 VAL 12 1HG1 VAL 12 3.467 -3.651 -14.514 92 2HG1 VAL 12 2HG1 VAL 12 2.361 -5.017 -14.378 93 3HG1 VAL 12 3HG1 VAL 12 3.456 -4.634 -13.049 94 1HG2 VAL 12 1HG2 VAL 12 2.221 -1.303 -12.568 95 2HG2 VAL 12 2HG2 VAL 12 3.524 -2.460 -12.291 96 3HG2 VAL 12 3HG2 VAL 12 2.089 -2.485 -11.266 97 H GLU 13 H GLU 13 2.406 -3.067 -16.455 98 HA GLU 13 HA GLU 13 4.377 -0.949 -16.236 99 1HB GLU 13 2HB GLU 13 3.680 -2.977 -18.355 100 2HB GLU 13 1HB GLU 13 4.859 -1.706 -18.674 101 1HG GLU 13 2HG GLU 13 5.454 -2.822 -16.114 102 2HG GLU 13 1HG GLU 13 5.248 -4.155 -17.250 103 H LEU 14 H LEU 14 1.164 -1.037 -17.314 104 HA LEU 14 HA LEU 14 1.253 0.811 -19.500 105 1HB LEU 14 2HB LEU 14 -0.790 -0.313 -17.705 106 2HB LEU 14 1HB LEU 14 -1.155 1.325 -18.252 107 HG LEU 14 HG LEU 14 -2.038 -0.446 -19.788 108 1HD1 LEU 14 1HD1 LEU 14 -0.072 0.720 -21.570 109 2HD1 LEU 14 2HD1 LEU 14 -0.638 1.915 -20.404 110 3HD1 LEU 14 3HD1 LEU 14 -1.796 1.073 -21.434 111 1HD2 LEU 14 1HD2 LEU 14 -0.686 -2.215 -20.173 112 2HD2 LEU 14 2HD2 LEU 14 0.708 -1.368 -19.503 113 3HD2 LEU 14 3HD2 LEU 14 0.279 -1.158 -21.201 114 H GLY 15 H GLY 15 0.116 1.524 -16.182 115 1HA GLY 15 2HA GLY 15 1.674 4.054 -16.250 116 2HA GLY 15 1HA GLY 15 -0.067 4.154 -15.983 117 HA PRO 16 HA PRO 16 2.031 2.059 -12.178 118 1HB PRO 16 2HB PRO 16 4.651 2.818 -11.833 119 2HB PRO 16 1HB PRO 16 4.161 1.353 -12.701 120 1HG PRO 16 2HG PRO 16 5.177 3.934 -13.798 121 2HG PRO 16 1HG PRO 16 5.280 2.304 -14.486 122 1HD PRO 16 2HD PRO 16 3.454 4.317 -15.269 123 2HD PRO 16 1HD PRO 16 3.352 2.594 -15.692 124 H GLY 17 H GLY 17 2.042 5.241 -13.301 125 1HA GLY 17 2HA GLY 17 2.971 6.758 -11.102 126 2HA GLY 17 1HA GLY 17 1.704 7.290 -12.207 127 HA PRO 18 HA PRO 18 -1.209 6.791 -8.963 128 1HB PRO 18 2HB PRO 18 -3.480 6.415 -10.469 129 2HB PRO 18 1HB PRO 18 -2.679 7.985 -10.280 130 1HG PRO 18 2HG PRO 18 -2.692 6.157 -12.634 131 2HG PRO 18 1HG PRO 18 -2.469 7.912 -12.579 132 1HD PRO 18 2HD PRO 18 -0.413 5.986 -12.884 133 2HD PRO 18 1HD PRO 18 -0.188 7.708 -12.510 134 H SER 19 H SER 19 -0.044 4.571 -8.597 135 HA SER 19 HA SER 19 -1.565 2.234 -9.551 136 1HB SER 19 2HB SER 19 1.067 2.722 -8.408 137 2HB SER 19 1HB SER 19 0.256 1.380 -7.605 138 HG SER 19 HG SER 19 1.502 1.230 -9.829 139 H GLY 20 H GLY 20 -2.357 4.424 -7.356 140 1HA GLY 20 2HA GLY 20 -4.371 3.568 -5.987 141 2HA GLY 20 1HA GLY 20 -3.213 2.429 -5.302 142 H ASP 21 H ASP 21 -4.104 5.838 -5.477 143 HA ASP 21 HA ASP 21 -2.799 6.236 -2.847 144 1HB ASP 21 2HB ASP 21 -1.532 7.059 -5.197 145 2HB ASP 21 1HB ASP 21 -2.308 8.521 -4.588 146 H MET 22 H MET 22 -5.547 6.330 -4.420 147 HA MET 22 HA MET 22 -6.878 8.119 -2.684 148 1HB MET 22 2HB MET 22 -5.403 9.630 -4.365 149 2HB MET 22 1HB MET 22 -6.852 9.437 -5.351 150 1HG MET 22 2HG MET 22 -8.162 10.648 -3.910 151 2HG MET 22 1HG MET 22 -7.280 10.103 -2.485 152 1HE MET 22 1HE MET 22 -8.063 12.350 -5.000 153 2HE MET 22 2HE MET 22 -6.517 12.678 -5.780 154 3HE MET 22 3HE MET 22 -7.199 13.857 -4.662 155 H ALA 23 H ALA 23 -6.749 6.602 -5.860 156 HA ALA 23 HA ALA 23 -9.729 6.393 -5.837 157 1HB ALA 23 1HB ALA 23 -7.820 5.823 -8.123 158 2HB ALA 23 2HB ALA 23 -8.623 7.373 -7.872 159 3HB ALA 23 3HB ALA 23 -9.578 5.931 -8.213 160 H ALA 24 H ALA 24 -7.503 4.712 -4.437 161 HA ALA 24 HA ALA 24 -7.593 2.097 -5.635 162 1HB ALA 24 1HB ALA 24 -7.195 1.616 -2.955 163 2HB ALA 24 2HB ALA 24 -6.646 3.286 -3.110 164 3HB ALA 24 3HB ALA 24 -5.916 2.023 -4.100 165 H LYS 25 H LYS 25 -9.464 3.588 -2.982 166 HA LYS 25 HA LYS 25 -11.104 1.297 -2.470 167 1HB LYS 25 2HB LYS 25 -11.627 4.247 -2.031 168 2HB LYS 25 1HB LYS 25 -12.648 2.956 -1.399 169 1HG LYS 25 2HG LYS 25 -9.832 2.493 -0.805 170 2HG LYS 25 1HG LYS 25 -10.396 4.030 -0.149 171 1HD LYS 25 2HD LYS 25 -11.641 3.003 1.428 172 2HD LYS 25 1HD LYS 25 -12.350 1.901 0.246 173 1HE LYS 25 2HE LYS 25 -11.151 0.327 1.384 174 2HE LYS 25 1HE LYS 25 -9.821 0.910 0.383 175 1HZ LYS 25 1HZ LYS 25 -9.344 2.544 2.173 176 2HZ LYS 25 2HZ LYS 25 -9.109 0.927 2.636 177 3HZ LYS 25 3HZ LYS 25 -10.498 1.764 3.143 178 H MET 26 H MET 26 -11.640 4.174 -4.517 179 HA MET 26 HA MET 26 -14.242 3.446 -5.423 180 1HB MET 26 2HB MET 26 -12.165 4.932 -7.052 181 2HB MET 26 1HB MET 26 -13.920 5.065 -7.169 182 1HG MET 26 2HG MET 26 -13.616 5.672 -4.561 183 2HG MET 26 1HG MET 26 -12.059 6.239 -5.166 184 1HE MET 26 1HE MET 26 -14.951 7.912 -3.996 185 2HE MET 26 2HE MET 26 -15.664 6.528 -4.821 186 3HE MET 26 3HE MET 26 -16.057 8.161 -5.354 187 H SER 27 H SER 27 -11.098 2.217 -6.255 188 HA SER 27 HA SER 27 -11.861 1.096 -8.823 189 1HB SER 27 2HB SER 27 -9.579 0.460 -6.933 190 2HB SER 27 1HB SER 27 -9.761 -0.259 -8.530 191 HG SER 27 HG SER 27 -9.939 2.516 -8.319 192 H LYS 28 H LYS 28 -11.056 -0.564 -5.747 193 HA LYS 28 HA LYS 28 -11.960 -3.107 -6.334 194 1HB LYS 28 2HB LYS 28 -10.988 -2.309 -4.133 195 2HB LYS 28 1HB LYS 28 -12.601 -1.725 -3.718 196 1HG LYS 28 2HG LYS 28 -12.347 -3.943 -2.780 197 2HG LYS 28 1HG LYS 28 -13.473 -4.047 -4.132 198 1HD LYS 28 2HD LYS 28 -12.138 -5.706 -4.901 199 2HD LYS 28 1HD LYS 28 -11.024 -4.418 -5.358 200 1HE LYS 28 2HE LYS 28 -10.750 -5.022 -2.543 201 2HE LYS 28 1HE LYS 28 -10.549 -6.487 -3.505 202 1HZ LYS 28 1HZ LYS 28 -8.473 -5.729 -3.766 203 2HZ LYS 28 2HZ LYS 28 -8.880 -4.131 -3.356 204 3HZ LYS 28 3HZ LYS 28 -9.155 -4.704 -4.933 205 H LYS 29 H LYS 29 -13.956 -0.285 -5.572 206 HA LYS 29 HA LYS 29 -16.446 -1.415 -5.120 207 1HB LYS 29 2HB LYS 29 -15.574 1.113 -5.684 208 2HB LYS 29 1HB LYS 29 -16.506 0.743 -7.136 209 1HG LYS 29 2HG LYS 29 -18.462 0.191 -5.804 210 2HG LYS 29 1HG LYS 29 -17.543 0.381 -4.310 211 1HD LYS 29 2HD LYS 29 -17.361 2.722 -4.582 212 2HD LYS 29 1HD LYS 29 -17.785 2.643 -6.291 213 1HE LYS 29 2HE LYS 29 -20.072 1.933 -5.695 214 2HE LYS 29 1HE LYS 29 -19.649 2.011 -3.985 215 1HZ LYS 29 1HZ LYS 29 -19.867 4.212 -3.968 216 2HZ LYS 29 2HZ LYS 29 -20.654 4.053 -5.466 217 3HZ LYS 29 3HZ LYS 29 -18.994 4.410 -5.410 218 H LYS 30 H LYS 30 -15.413 -0.454 -8.419 219 HA LYS 30 HA LYS 30 -17.144 -2.658 -9.452 220 1HB LYS 30 2HB LYS 30 -17.152 -0.011 -10.142 221 2HB LYS 30 1HB LYS 30 -16.070 -0.679 -11.364 222 1HG LYS 30 2HG LYS 30 -17.925 -1.311 -12.485 223 2HG LYS 30 1HG LYS 30 -18.148 -2.531 -11.231 224 1HD LYS 30 2HD LYS 30 -20.156 -1.471 -10.955 225 2HD LYS 30 1HD LYS 30 -19.189 -0.377 -9.964 226 1HE LYS 30 2HE LYS 30 -18.855 0.496 -12.628 227 2HE LYS 30 1HE LYS 30 -20.578 0.174 -12.436 228 1HZ LYS 30 1HZ LYS 30 -19.747 1.438 -10.118 229 2HZ LYS 30 2HZ LYS 30 -20.730 2.078 -11.348 230 3HZ LYS 30 3HZ LYS 30 -19.047 2.307 -11.394 231 H ALA 31 H ALA 31 -14.254 -2.763 -8.460 232 HA ALA 31 HA ALA 31 -12.483 -3.099 -10.658 233 1HB ALA 31 1HB ALA 31 -12.450 -4.703 -8.086 234 2HB ALA 31 2HB ALA 31 -11.842 -3.052 -8.214 235 3HB ALA 31 3HB ALA 31 -11.079 -4.347 -9.139 236 H GLY 32 H GLY 32 -14.592 -5.466 -9.015 237 1HA GLY 32 2HA GLY 32 -15.703 -7.290 -10.093 238 2HA GLY 32 1HA GLY 32 -14.700 -7.026 -11.520 239 H ARG 33 H ARG 33 -12.617 -6.919 -8.967 240 HA ARG 33 HA ARG 33 -11.869 -9.768 -9.390 241 1HB ARG 33 2HB ARG 33 -10.398 -7.267 -8.804 242 2HB ARG 33 1HB ARG 33 -9.811 -8.698 -7.956 243 1HG ARG 33 2HG ARG 33 -10.250 -9.648 -10.517 244 2HG ARG 33 1HG ARG 33 -9.639 -8.018 -10.805 245 1HD ARG 33 2HD ARG 33 -7.658 -9.246 -10.663 246 2HD ARG 33 1HD ARG 33 -7.842 -8.670 -9.006 247 HE ARG 33 HE ARG 33 -8.330 -11.450 -9.933 248 1HH1 ARG 33 1HH2 ARG 33 -6.642 -9.933 -7.639 249 2HH1 ARG 33 2HH2 ARG 33 -7.382 -10.680 -6.262 250 1HH2 ARG 33 1HH1 ARG 33 -9.998 -12.050 -8.078 251 2HH2 ARG 33 2HH1 ARG 33 -9.280 -11.878 -6.510 252 H GLY 34 H GLY 34 -13.794 -10.216 -7.878 253 1HA GLY 34 2HA GLY 34 -13.888 -11.425 -5.737 254 2HA GLY 34 1HA GLY 34 -12.778 -10.228 -5.069 Start of MODEL 7 1 1H MET 1 1HT MET 1 0.415 -9.462 -25.987 2 2H MET 1 2HT MET 1 -0.320 -9.046 -24.514 3 3H MET 1 3HT MET 1 -1.254 -9.168 -25.928 4 HA MET 1 HA MET 1 -1.750 -11.178 -25.036 5 1HB MET 1 2HB MET 1 0.782 -11.393 -26.638 6 2HB MET 1 1HB MET 1 0.101 -12.842 -25.897 7 1HG MET 1 2HG MET 1 -0.933 -12.803 -28.007 8 2HG MET 1 1HG MET 1 -2.139 -12.049 -26.965 9 1HE MET 1 1HE MET 1 -0.935 -11.340 -30.613 10 2HE MET 1 2HE MET 1 0.232 -12.093 -29.530 11 3HE MET 1 3HE MET 1 0.540 -10.477 -30.157 12 H GLY 2 H GLY 2 -0.539 -13.287 -23.995 13 1HA GLY 2 2HA GLY 2 1.618 -13.333 -22.370 14 2HA GLY 2 1HA GLY 2 0.557 -12.260 -21.457 15 H LYS 3 H LYS 3 0.211 -13.706 -19.736 16 HA LYS 3 HA LYS 3 -1.810 -15.766 -20.245 17 1HB LYS 3 2HB LYS 3 1.025 -16.441 -19.859 18 2HB LYS 3 1HB LYS 3 -0.049 -17.254 -18.720 19 1HG LYS 3 2HG LYS 3 -1.405 -18.125 -20.543 20 2HG LYS 3 1HG LYS 3 -0.456 -17.220 -21.723 21 1HD LYS 3 2HD LYS 3 1.522 -18.575 -20.430 22 2HD LYS 3 1HD LYS 3 0.199 -19.735 -20.309 23 1HE LYS 3 2HE LYS 3 -0.150 -19.613 -22.741 24 2HE LYS 3 1HE LYS 3 1.148 -18.427 -22.876 25 1HZ LYS 3 1HZ LYS 3 1.378 -21.251 -21.998 26 2HZ LYS 3 2HZ LYS 3 2.637 -20.120 -21.864 27 3HZ LYS 3 3HZ LYS 3 2.039 -20.553 -23.395 28 H ALA 4 H ALA 4 0.570 -14.662 -17.810 29 HA ALA 4 HA ALA 4 -1.480 -13.711 -16.018 30 1HB ALA 4 1HB ALA 4 -1.854 -16.112 -15.657 31 2HB ALA 4 2HB ALA 4 -1.131 -15.392 -14.218 32 3HB ALA 4 3HB ALA 4 -0.137 -16.344 -15.323 33 H GLU 5 H GLU 5 1.764 -15.233 -15.917 34 HA GLU 5 HA GLU 5 2.787 -13.476 -13.893 35 1HB GLU 5 2HB GLU 5 3.789 -15.609 -15.570 36 2HB GLU 5 1HB GLU 5 4.945 -14.278 -15.531 37 1HG GLU 5 2HG GLU 5 3.925 -14.647 -12.883 38 2HG GLU 5 1HG GLU 5 4.437 -16.217 -13.501 39 H ASN 6 H ASN 6 3.250 -13.459 -17.446 40 HA ASN 6 HA ASN 6 4.424 -10.765 -17.314 41 1HB ASN 6 2HB ASN 6 4.512 -12.927 -19.141 42 2HB ASN 6 1HB ASN 6 3.716 -11.600 -19.987 43 1HD2 ASN 6 1HD2 ASN 6 6.762 -12.684 -18.617 44 2HD2 ASN 6 2HD2 ASN 6 7.681 -11.346 -19.115 45 H TYR 7 H TYR 7 1.362 -12.281 -18.140 46 HA TYR 7 HA TYR 7 0.100 -10.161 -19.514 47 1HB TYR 7 2HB TYR 7 -1.082 -12.207 -19.426 48 2HB TYR 7 1HB TYR 7 -0.929 -12.320 -17.675 49 HD1 TYR 7 1HD TYR 7 -3.083 -12.246 -16.762 50 HD2 TYR 7 2HD TYR 7 -2.022 -9.498 -19.888 51 HE1 TYR 7 1HE TYR 7 -5.264 -11.099 -16.493 52 HE2 TYR 7 2HE TYR 7 -4.205 -8.349 -19.618 53 HH TYR 7 HH TYR 7 -6.271 -8.940 -16.947 54 H GLU 8 H GLU 8 0.089 -10.823 -15.993 55 HA GLU 8 HA GLU 8 -1.276 -8.377 -15.324 56 1HB GLU 8 2HB GLU 8 -0.389 -10.671 -13.953 57 2HB GLU 8 1HB GLU 8 0.458 -9.317 -13.203 58 1HG GLU 8 2HG GLU 8 -1.817 -8.134 -13.131 59 2HG GLU 8 1HG GLU 8 -2.523 -9.707 -13.507 60 H LEU 9 H LEU 9 2.169 -9.295 -15.371 61 HA LEU 9 HA LEU 9 3.234 -6.904 -14.301 62 1HB LEU 9 2HB LEU 9 4.252 -9.231 -15.528 63 2HB LEU 9 1HB LEU 9 4.882 -7.879 -16.470 64 HG LEU 9 HG LEU 9 4.951 -7.494 -13.540 65 1HD1 LEU 9 1HD1 LEU 9 5.717 -9.648 -13.238 66 2HD1 LEU 9 2HD1 LEU 9 7.232 -8.887 -13.720 67 3HD1 LEU 9 3HD1 LEU 9 6.285 -9.791 -14.900 68 1HD2 LEU 9 1HD2 LEU 9 7.362 -6.844 -14.295 69 2HD2 LEU 9 2HD2 LEU 9 6.018 -5.829 -14.820 70 3HD2 LEU 9 3HD2 LEU 9 6.720 -7.003 -15.932 71 H TYR 10 H TYR 10 1.878 -7.555 -17.462 72 HA TYR 10 HA TYR 10 3.015 -5.225 -18.756 73 1HB TYR 10 2HB TYR 10 2.194 -7.101 -20.090 74 2HB TYR 10 1HB TYR 10 0.572 -6.881 -19.438 75 HD1 TYR 10 1HD TYR 10 3.258 -4.846 -21.098 76 HD2 TYR 10 2HD TYR 10 -0.943 -5.655 -20.713 77 HE1 TYR 10 1HE TYR 10 2.774 -3.173 -22.864 78 HE2 TYR 10 2HE TYR 10 -1.427 -3.982 -22.480 79 HH TYR 10 HH TYR 10 -0.384 -2.846 -24.270 80 H GLN 11 H GLN 11 -0.342 -5.901 -17.690 81 HA GLN 11 HA GLN 11 -1.481 -3.412 -18.046 82 1HB GLN 11 2HB GLN 11 -1.805 -5.321 -15.720 83 2HB GLN 11 1HB GLN 11 -2.828 -3.902 -15.947 84 1HG GLN 11 2HG GLN 11 -3.415 -4.748 -18.227 85 2HG GLN 11 1HG GLN 11 -2.497 -6.214 -17.880 86 1HE2 GLN 11 1HE2 GLN 11 -3.194 -7.054 -15.441 87 2HE2 GLN 11 2HE2 GLN 11 -4.874 -7.209 -15.254 88 H VAL 12 H VAL 12 0.340 -4.395 -15.117 89 HA VAL 12 HA VAL 12 0.248 -1.811 -13.890 90 HB VAL 12 HB VAL 12 0.829 -3.802 -12.600 91 1HG1 VAL 12 1HG1 VAL 12 3.345 -3.868 -14.295 92 2HG1 VAL 12 2HG1 VAL 12 2.000 -4.999 -14.433 93 3HG1 VAL 12 3HG1 VAL 12 2.968 -4.955 -12.959 94 1HG2 VAL 12 1HG2 VAL 12 3.215 -1.936 -12.808 95 2HG2 VAL 12 2HG2 VAL 12 2.781 -2.926 -11.414 96 3HG2 VAL 12 3HG2 VAL 12 1.744 -1.583 -11.899 97 H GLU 13 H GLU 13 2.512 -3.281 -16.184 98 HA GLU 13 HA GLU 13 4.556 -1.308 -16.045 99 1HB GLU 13 2HB GLU 13 4.488 -3.575 -17.331 100 2HB GLU 13 1HB GLU 13 3.775 -2.626 -18.636 101 1HG GLU 13 2HG GLU 13 5.949 -1.097 -17.742 102 2HG GLU 13 1HG GLU 13 6.545 -2.756 -17.775 103 H LEU 14 H LEU 14 1.384 -1.237 -17.493 104 HA LEU 14 HA LEU 14 1.888 0.972 -19.294 105 1HB LEU 14 2HB LEU 14 -0.460 -0.542 -18.326 106 2HB LEU 14 1HB LEU 14 -0.787 1.134 -18.769 107 HG LEU 14 HG LEU 14 -1.054 -0.391 -20.707 108 1HD1 LEU 14 1HD1 LEU 14 0.068 0.996 -22.239 109 2HD1 LEU 14 2HD1 LEU 14 1.448 1.223 -21.164 110 3HD1 LEU 14 3HD1 LEU 14 -0.083 2.025 -20.815 111 1HD2 LEU 14 1HD2 LEU 14 1.449 -1.412 -19.664 112 2HD2 LEU 14 2HD2 LEU 14 1.632 -0.957 -21.358 113 3HD2 LEU 14 3HD2 LEU 14 0.390 -2.115 -20.885 114 H GLY 15 H GLY 15 0.098 0.852 -16.188 115 1HA GLY 15 2HA GLY 15 1.239 3.493 -15.493 116 2HA GLY 15 1HA GLY 15 -0.517 3.393 -15.616 117 HA PRO 16 HA PRO 16 0.978 0.747 -11.873 118 1HB PRO 16 2HB PRO 16 3.398 1.563 -10.852 119 2HB PRO 16 1HB PRO 16 3.225 0.267 -12.047 120 1HG PRO 16 2HG PRO 16 4.201 3.059 -12.435 121 2HG PRO 16 1HG PRO 16 4.583 1.597 -13.361 122 1HD PRO 16 2HD PRO 16 2.774 3.626 -14.147 123 2HD PRO 16 1HD PRO 16 2.914 2.012 -14.876 124 H GLY 17 H GLY 17 2.906 3.619 -11.080 125 1HA GLY 17 2HA GLY 17 2.508 5.348 -9.544 126 2HA GLY 17 1HA GLY 17 0.823 5.259 -10.059 127 HA PRO 18 HA PRO 18 1.487 2.442 -6.203 128 1HB PRO 18 2HB PRO 18 3.529 3.308 -4.578 129 2HB PRO 18 1HB PRO 18 3.733 2.071 -5.832 130 1HG PRO 18 2HG PRO 18 4.613 4.922 -5.846 131 2HG PRO 18 1HG PRO 18 5.294 3.532 -6.709 132 1HD PRO 18 2HD PRO 18 3.620 5.519 -7.830 133 2HD PRO 18 1HD PRO 18 4.031 3.959 -8.575 134 H SER 19 H SER 19 2.902 5.543 -5.119 135 HA SER 19 HA SER 19 0.639 5.906 -3.269 136 1HB SER 19 2HB SER 19 3.373 6.745 -3.368 137 2HB SER 19 1HB SER 19 2.360 8.184 -3.301 138 HG SER 19 HG SER 19 1.364 7.341 -1.468 139 H GLY 20 H GLY 20 1.071 6.526 -6.471 140 1HA GLY 20 2HA GLY 20 -0.247 9.187 -6.428 141 2HA GLY 20 1HA GLY 20 0.431 8.402 -7.855 142 H ASP 21 H ASP 21 -0.919 5.819 -6.984 143 HA ASP 21 HA ASP 21 -3.539 6.453 -8.229 144 1HB ASP 21 2HB ASP 21 -1.821 4.461 -8.796 145 2HB ASP 21 1HB ASP 21 -2.780 3.651 -7.557 146 H MET 22 H MET 22 -3.386 7.387 -5.627 147 HA MET 22 HA MET 22 -5.097 5.417 -4.163 148 1HB MET 22 2HB MET 22 -2.847 7.155 -3.205 149 2HB MET 22 1HB MET 22 -4.170 6.783 -2.101 150 1HG MET 22 2HG MET 22 -2.791 4.602 -3.661 151 2HG MET 22 1HG MET 22 -2.137 5.177 -2.128 152 1HE MET 22 1HE MET 22 -2.248 2.806 -1.316 153 2HE MET 22 2HE MET 22 -3.551 2.438 -0.189 154 3HE MET 22 3HE MET 22 -2.654 3.946 -0.025 155 H ALA 23 H ALA 23 -4.293 8.803 -3.426 156 HA ALA 23 HA ALA 23 -7.159 9.393 -3.154 157 1HB ALA 23 1HB ALA 23 -6.484 11.111 -1.836 158 2HB ALA 23 2HB ALA 23 -5.278 11.649 -3.005 159 3HB ALA 23 3HB ALA 23 -4.901 10.335 -1.890 160 H ALA 24 H ALA 24 -5.442 9.017 -5.810 161 HA ALA 24 HA ALA 24 -5.526 11.427 -7.280 162 1HB ALA 24 1HB ALA 24 -5.921 9.820 -9.282 163 2HB ALA 24 2HB ALA 24 -5.802 8.533 -8.081 164 3HB ALA 24 3HB ALA 24 -4.441 9.622 -8.344 165 H LYS 25 H LYS 25 -8.083 9.041 -6.667 166 HA LYS 25 HA LYS 25 -10.017 10.542 -8.291 167 1HB LYS 25 2HB LYS 25 -10.460 8.220 -6.393 168 2HB LYS 25 1HB LYS 25 -11.612 8.827 -7.580 169 1HG LYS 25 2HG LYS 25 -9.031 8.263 -8.800 170 2HG LYS 25 1HG LYS 25 -9.697 6.835 -8.006 171 1HD LYS 25 2HD LYS 25 -11.930 7.638 -9.204 172 2HD LYS 25 1HD LYS 25 -10.788 8.409 -10.304 173 1HE LYS 25 2HE LYS 25 -10.146 5.612 -9.583 174 2HE LYS 25 1HE LYS 25 -11.607 5.823 -10.549 175 1HZ LYS 25 1HZ LYS 25 -9.312 5.605 -11.704 176 2HZ LYS 25 2HZ LYS 25 -9.154 7.250 -11.310 177 3HZ LYS 25 3HZ LYS 25 -10.443 6.728 -12.286 178 H MET 26 H MET 26 -8.947 10.456 -4.997 179 HA MET 26 HA MET 26 -11.318 11.497 -3.751 180 1HB MET 26 2HB MET 26 -8.388 11.584 -3.003 181 2HB MET 26 1HB MET 26 -9.641 12.298 -1.988 182 1HG MET 26 2HG MET 26 -10.044 9.492 -2.934 183 2HG MET 26 1HG MET 26 -8.868 9.769 -1.650 184 1HE MET 26 1HE MET 26 -11.512 8.637 0.727 185 2HE MET 26 2HE MET 26 -9.786 8.863 0.456 186 3HE MET 26 3HE MET 26 -10.740 7.949 -0.709 187 H SER 27 H SER 27 -8.356 13.125 -4.935 188 HA SER 27 HA SER 27 -9.344 15.778 -4.396 189 1HB SER 27 2HB SER 27 -7.307 15.054 -6.510 190 2HB SER 27 1HB SER 27 -7.437 16.557 -5.600 191 HG SER 27 HG SER 27 -6.096 15.620 -4.283 192 H LYS 28 H LYS 28 -9.146 13.856 -7.407 193 HA LYS 28 HA LYS 28 -10.386 15.772 -9.103 194 1HB LYS 28 2HB LYS 28 -9.812 12.879 -9.190 195 2HB LYS 28 1HB LYS 28 -11.198 13.375 -10.162 196 1HG LYS 28 2HG LYS 28 -8.488 14.727 -10.285 197 2HG LYS 28 1HG LYS 28 -9.003 13.458 -11.397 198 1HD LYS 28 2HD LYS 28 -11.057 15.482 -11.186 199 2HD LYS 28 1HD LYS 28 -9.516 16.222 -11.624 200 1HE LYS 28 2HE LYS 28 -10.470 15.600 -13.700 201 2HE LYS 28 1HE LYS 28 -9.305 14.322 -13.355 202 1HZ LYS 28 1HZ LYS 28 -10.971 12.858 -12.728 203 2HZ LYS 28 2HZ LYS 28 -11.650 13.653 -14.066 204 3HZ LYS 28 3HZ LYS 28 -12.117 14.087 -12.491 205 H LYS 29 H LYS 29 -11.697 13.954 -6.524 206 HA LYS 29 HA LYS 29 -14.409 13.747 -7.538 207 1HB LYS 29 2HB LYS 29 -13.097 12.585 -5.461 208 2HB LYS 29 1HB LYS 29 -13.993 13.840 -4.606 209 1HG LYS 29 2HG LYS 29 -16.090 13.052 -5.496 210 2HG LYS 29 1HG LYS 29 -15.269 11.937 -6.589 211 1HD LYS 29 2HD LYS 29 -14.974 10.380 -4.966 212 2HD LYS 29 1HD LYS 29 -14.526 11.591 -3.763 213 1HE LYS 29 2HE LYS 29 -16.926 12.212 -3.535 214 2HE LYS 29 1HE LYS 29 -17.342 10.926 -4.666 215 1HZ LYS 29 1HZ LYS 29 -17.601 10.035 -2.517 216 2HZ LYS 29 2HZ LYS 29 -16.113 10.659 -1.985 217 3HZ LYS 29 3HZ LYS 29 -16.150 9.385 -3.108 218 H LYS 30 H LYS 30 -13.140 15.729 -4.821 219 HA LYS 30 HA LYS 30 -15.115 17.824 -5.649 220 1HB LYS 30 2HB LYS 30 -15.301 18.435 -3.268 221 2HB LYS 30 1HB LYS 30 -15.740 16.744 -3.515 222 1HG LYS 30 2HG LYS 30 -12.911 16.886 -3.086 223 2HG LYS 30 1HG LYS 30 -13.715 17.794 -1.805 224 1HD LYS 30 2HD LYS 30 -15.144 15.881 -1.293 225 2HD LYS 30 1HD LYS 30 -14.450 14.972 -2.637 226 1HE LYS 30 2HE LYS 30 -12.248 15.014 -1.571 227 2HE LYS 30 1HE LYS 30 -12.881 16.006 -0.256 228 1HZ LYS 30 1HZ LYS 30 -13.058 13.942 0.658 229 2HZ LYS 30 2HZ LYS 30 -13.327 13.168 -0.830 230 3HZ LYS 30 3HZ LYS 30 -14.579 14.042 -0.086 231 H ALA 31 H ALA 31 -11.841 17.124 -4.595 232 HA ALA 31 HA ALA 31 -10.924 19.719 -3.987 233 1HB ALA 31 1HB ALA 31 -8.716 18.916 -4.459 234 2HB ALA 31 2HB ALA 31 -9.328 17.691 -5.569 235 3HB ALA 31 3HB ALA 31 -9.617 17.535 -3.836 236 H GLY 32 H GLY 32 -11.684 18.266 -7.089 237 1HA GLY 32 2HA GLY 32 -12.138 19.455 -9.102 238 2HA GLY 32 1HA GLY 32 -11.505 20.920 -8.347 239 H ARG 33 H ARG 33 -9.022 20.684 -7.816 240 HA ARG 33 HA ARG 33 -7.732 19.880 -10.359 241 1HB ARG 33 2HB ARG 33 -5.869 21.220 -9.647 242 2HB ARG 33 1HB ARG 33 -7.326 22.138 -9.265 243 1HG ARG 33 2HG ARG 33 -7.192 21.001 -6.943 244 2HG ARG 33 1HG ARG 33 -5.532 20.602 -7.389 245 1HD ARG 33 2HD ARG 33 -6.417 23.419 -7.806 246 2HD ARG 33 1HD ARG 33 -6.146 22.894 -6.144 247 HE ARG 33 HE ARG 33 -4.075 23.015 -8.271 248 1HH1 ARG 33 1HH2 ARG 33 -4.616 21.149 -5.578 249 2HH1 ARG 33 2HH2 ARG 33 -3.212 21.663 -4.702 250 1HH2 ARG 33 1HH1 ARG 33 -2.446 24.223 -6.911 251 2HH2 ARG 33 2HH1 ARG 33 -1.984 23.403 -5.459 252 H GLY 34 H GLY 34 -6.436 18.098 -10.514 253 1HA GLY 34 2HA GLY 34 -5.971 16.540 -8.015 254 2HA GLY 34 1HA GLY 34 -5.966 15.863 -9.643 Start of MODEL 8 1 1H MET 1 1HT MET 1 5.748 -24.636 -17.111 2 2H MET 1 2HT MET 1 4.497 -23.579 -17.559 3 3H MET 1 3HT MET 1 5.002 -23.662 -15.940 4 HA MET 1 HA MET 1 7.102 -22.693 -16.452 5 1HB MET 1 2HB MET 1 7.476 -21.934 -18.853 6 2HB MET 1 1HB MET 1 7.556 -23.677 -18.593 7 1HG MET 1 2HG MET 1 5.394 -24.025 -19.509 8 2HG MET 1 1HG MET 1 4.987 -22.312 -19.405 9 1HE MET 1 1HE MET 1 4.465 -21.382 -21.155 10 2HE MET 1 2HE MET 1 5.215 -21.309 -22.747 11 3HE MET 1 3HE MET 1 5.932 -20.423 -21.404 12 H GLY 2 H GLY 2 5.572 -21.345 -15.114 13 1HA GLY 2 2HA GLY 2 4.589 -19.256 -14.701 14 2HA GLY 2 1HA GLY 2 5.269 -18.732 -16.242 15 H LYS 3 H LYS 3 2.690 -17.936 -15.387 16 HA LYS 3 HA LYS 3 1.030 -19.297 -17.462 17 1HB LYS 3 2HB LYS 3 0.329 -18.663 -14.602 18 2HB LYS 3 1HB LYS 3 -0.932 -18.742 -15.834 19 1HG LYS 3 2HG LYS 3 -0.034 -21.024 -16.469 20 2HG LYS 3 1HG LYS 3 0.994 -20.938 -15.038 21 1HD LYS 3 2HD LYS 3 -0.925 -22.093 -14.284 22 2HD LYS 3 1HD LYS 3 -1.191 -20.436 -13.743 23 1HE LYS 3 2HE LYS 3 -2.492 -20.045 -15.876 24 2HE LYS 3 1HE LYS 3 -2.380 -21.777 -16.184 25 1HZ LYS 3 1HZ LYS 3 -4.242 -21.885 -14.981 26 2HZ LYS 3 2HZ LYS 3 -4.022 -20.345 -14.299 27 3HZ LYS 3 3HZ LYS 3 -3.232 -21.692 -13.632 28 H ALA 4 H ALA 4 0.152 -16.663 -15.258 29 HA ALA 4 HA ALA 4 -0.022 -14.881 -17.654 30 1HB ALA 4 1HB ALA 4 -1.950 -13.894 -16.766 31 2HB ALA 4 2HB ALA 4 -1.572 -14.405 -15.121 32 3HB ALA 4 3HB ALA 4 -2.154 -15.583 -16.299 33 H GLU 5 H GLU 5 2.371 -15.239 -16.034 34 HA GLU 5 HA GLU 5 2.652 -13.152 -14.093 35 1HB GLU 5 2HB GLU 5 4.396 -15.037 -15.490 36 2HB GLU 5 1HB GLU 5 5.174 -13.476 -15.224 37 1HG GLU 5 2HG GLU 5 4.254 -13.673 -12.804 38 2HG GLU 5 1HG GLU 5 4.042 -15.384 -13.183 39 H ASN 6 H ASN 6 3.846 -13.252 -17.475 40 HA ASN 6 HA ASN 6 4.496 -10.461 -17.556 41 1HB ASN 6 2HB ASN 6 5.132 -12.458 -19.172 42 2HB ASN 6 1HB ASN 6 3.683 -11.942 -20.035 43 1HD2 ASN 6 1HD2 ASN 6 3.632 -9.625 -20.775 44 2HD2 ASN 6 2HD2 ASN 6 5.096 -8.818 -21.071 45 H TYR 7 H TYR 7 1.499 -12.148 -17.766 46 HA TYR 7 HA TYR 7 0.031 -10.225 -19.331 47 1HB TYR 7 2HB TYR 7 -1.012 -12.330 -19.123 48 2HB TYR 7 1HB TYR 7 -0.737 -12.396 -17.384 49 HD1 TYR 7 1HD TYR 7 -2.431 -10.157 -19.886 50 HD2 TYR 7 2HD TYR 7 -2.569 -12.002 -16.009 51 HE1 TYR 7 1HE TYR 7 -4.667 -9.158 -19.490 52 HE2 TYR 7 2HE TYR 7 -4.805 -11.003 -15.613 53 HH TYR 7 HH TYR 7 -5.994 -8.585 -16.931 54 H GLU 8 H GLU 8 -0.368 -10.857 -15.831 55 HA GLU 8 HA GLU 8 -1.594 -8.370 -15.255 56 1HB GLU 8 2HB GLU 8 -0.760 -10.643 -13.795 57 2HB GLU 8 1HB GLU 8 0.005 -9.255 -13.020 58 1HG GLU 8 2HG GLU 8 -2.033 -8.248 -12.501 59 2HG GLU 8 1HG GLU 8 -2.892 -9.090 -13.791 60 H LEU 9 H LEU 9 1.840 -9.293 -15.220 61 HA LEU 9 HA LEU 9 2.804 -6.807 -14.155 62 1HB LEU 9 2HB LEU 9 3.938 -9.221 -15.356 63 2HB LEU 9 1HB LEU 9 4.828 -7.764 -15.801 64 HG LEU 9 HG LEU 9 4.726 -7.165 -13.290 65 1HD1 LEU 9 1HD1 LEU 9 3.468 -9.819 -13.360 66 2HD1 LEU 9 2HD1 LEU 9 3.425 -8.589 -12.097 67 3HD1 LEU 9 3HD1 LEU 9 4.788 -9.703 -12.197 68 1HD2 LEU 9 1HD2 LEU 9 6.774 -8.345 -12.883 69 2HD2 LEU 9 2HD2 LEU 9 6.728 -8.032 -14.618 70 3HD2 LEU 9 3HD2 LEU 9 6.329 -9.635 -14.000 71 H TYR 10 H TYR 10 1.747 -7.775 -17.329 72 HA TYR 10 HA TYR 10 3.080 -5.687 -18.807 73 1HB TYR 10 2HB TYR 10 2.203 -7.649 -19.958 74 2HB TYR 10 1HB TYR 10 0.569 -7.265 -19.421 75 HD1 TYR 10 1HD TYR 10 -0.817 -5.990 -20.804 76 HD2 TYR 10 2HD TYR 10 3.446 -5.733 -21.278 77 HE1 TYR 10 1HE TYR 10 -1.124 -4.528 -22.782 78 HE2 TYR 10 2HE TYR 10 3.136 -4.270 -23.257 79 HH TYR 10 HH TYR 10 1.214 -3.927 -25.004 80 H GLN 11 H GLN 11 -0.118 -5.938 -17.267 81 HA GLN 11 HA GLN 11 -1.073 -3.392 -18.209 82 1HB GLN 11 2HB GLN 11 -1.864 -4.848 -15.669 83 2HB GLN 11 1HB GLN 11 -2.808 -3.624 -16.520 84 1HG GLN 11 2HG GLN 11 -2.156 -5.589 -18.445 85 2HG GLN 11 1HG GLN 11 -2.685 -6.465 -17.008 86 1HE2 GLN 11 1HE2 GLN 11 -3.765 -4.509 -19.669 87 2HE2 GLN 11 2HE2 GLN 11 -5.398 -4.421 -19.213 88 H VAL 12 H VAL 12 0.256 -4.360 -15.024 89 HA VAL 12 HA VAL 12 0.314 -1.764 -13.892 90 HB VAL 12 HB VAL 12 0.757 -3.970 -12.708 91 1HG1 VAL 12 1HG1 VAL 12 3.171 -4.655 -12.664 92 2HG1 VAL 12 2HG1 VAL 12 3.473 -3.522 -13.981 93 3HG1 VAL 12 3HG1 VAL 12 2.405 -4.902 -14.232 94 1HG2 VAL 12 1HG2 VAL 12 2.422 -2.948 -11.144 95 2HG2 VAL 12 2HG2 VAL 12 1.120 -1.839 -11.571 96 3HG2 VAL 12 3HG2 VAL 12 2.703 -1.672 -12.330 97 H GLU 13 H GLU 13 2.268 -3.146 -16.383 98 HA GLU 13 HA GLU 13 4.497 -1.274 -16.008 99 1HB GLU 13 2HB GLU 13 4.509 -3.677 -17.090 100 2HB GLU 13 1HB GLU 13 4.028 -2.807 -18.547 101 1HG GLU 13 2HG GLU 13 5.998 -1.409 -18.447 102 2HG GLU 13 1HG GLU 13 6.434 -2.057 -16.864 103 H LEU 14 H LEU 14 1.743 -1.638 -18.238 104 HA LEU 14 HA LEU 14 2.463 0.870 -19.610 105 1HB LEU 14 2HB LEU 14 0.655 0.382 -21.100 106 2HB LEU 14 1HB LEU 14 1.436 -1.164 -20.763 107 HG LEU 14 HG LEU 14 -0.358 -1.127 -18.745 108 1HD1 LEU 14 1HD1 LEU 14 -2.312 -0.263 -20.673 109 2HD1 LEU 14 2HD1 LEU 14 -1.145 1.032 -20.409 110 3HD1 LEU 14 3HD1 LEU 14 -2.029 0.350 -19.045 111 1HD2 LEU 14 1HD2 LEU 14 -0.477 -3.047 -19.996 112 2HD2 LEU 14 2HD2 LEU 14 -0.359 -2.178 -21.527 113 3HD2 LEU 14 3HD2 LEU 14 -1.899 -2.248 -20.667 114 H GLY 15 H GLY 15 1.059 0.203 -16.711 115 1HA GLY 15 2HA GLY 15 -0.932 2.414 -16.928 116 2HA GLY 15 1HA GLY 15 -0.913 1.198 -15.650 117 HA PRO 16 HA PRO 16 1.270 4.960 -14.078 118 1HB PRO 16 2HB PRO 16 -0.367 5.312 -11.898 119 2HB PRO 16 1HB PRO 16 -0.669 6.053 -13.480 120 1HG PRO 16 2HG PRO 16 -2.051 3.745 -12.195 121 2HG PRO 16 1HG PRO 16 -2.663 4.887 -13.403 122 1HD PRO 16 2HD PRO 16 -1.777 2.247 -13.917 123 2HD PRO 16 1HD PRO 16 -2.077 3.505 -15.135 124 H GLY 17 H GLY 17 -0.187 2.285 -12.201 125 1HA GLY 17 2HA GLY 17 1.427 0.683 -11.142 126 2HA GLY 17 1HA GLY 17 2.395 2.090 -10.698 127 HA PRO 18 HA PRO 18 -0.721 1.067 -7.333 128 1HB PRO 18 2HB PRO 18 1.013 -0.124 -5.563 129 2HB PRO 18 1HB PRO 18 0.070 -1.022 -6.765 130 1HG PRO 18 2HG PRO 18 2.979 -0.367 -6.769 131 2HG PRO 18 1HG PRO 18 2.132 -1.716 -7.543 132 1HD PRO 18 2HD PRO 18 3.050 0.631 -8.837 133 2HD PRO 18 1HD PRO 18 1.927 -0.568 -9.517 134 H SER 19 H SER 19 -0.137 3.547 -7.560 135 HA SER 19 HA SER 19 0.946 4.398 -4.959 136 1HB SER 19 2HB SER 19 2.950 4.350 -6.416 137 2HB SER 19 1HB SER 19 2.130 5.399 -7.569 138 HG SER 19 HG SER 19 2.381 6.120 -4.854 139 H GLY 20 H GLY 20 -1.619 4.613 -5.438 140 1HA GLY 20 2HA GLY 20 -2.850 6.793 -4.999 141 2HA GLY 20 1HA GLY 20 -2.062 7.391 -6.462 142 H ASP 21 H ASP 21 -2.343 4.782 -7.827 143 HA ASP 21 HA ASP 21 -3.852 3.955 -9.429 144 1HB ASP 21 2HB ASP 21 -4.391 2.624 -7.448 145 2HB ASP 21 1HB ASP 21 -5.511 3.871 -6.897 146 H MET 22 H MET 22 -3.929 6.944 -8.905 147 HA MET 22 HA MET 22 -5.359 8.786 -9.324 148 1HB MET 22 2HB MET 22 -4.839 7.478 -11.565 149 2HB MET 22 1HB MET 22 -6.565 7.122 -11.506 150 1HG MET 22 2HG MET 22 -6.396 9.844 -10.886 151 2HG MET 22 1HG MET 22 -5.226 9.614 -12.186 152 1HE MET 22 1HE MET 22 -5.398 9.074 -14.133 153 2HE MET 22 2HE MET 22 -6.738 9.615 -15.140 154 3HE MET 22 3HE MET 22 -6.560 7.902 -14.769 155 H ALA 23 H ALA 23 -6.473 7.299 -7.266 156 HA ALA 23 HA ALA 23 -9.101 8.125 -7.080 157 1HB ALA 23 1HB ALA 23 -8.850 5.564 -8.632 158 2HB ALA 23 2HB ALA 23 -9.933 6.929 -8.905 159 3HB ALA 23 3HB ALA 23 -10.245 5.808 -7.580 160 H ALA 24 H ALA 24 -6.886 5.446 -6.489 161 HA ALA 24 HA ALA 24 -8.033 4.120 -4.347 162 1HB ALA 24 1HB ALA 24 -5.212 4.917 -4.966 163 2HB ALA 24 2HB ALA 24 -5.917 3.306 -4.850 164 3HB ALA 24 3HB ALA 24 -5.557 4.219 -3.385 165 H LYS 25 H LYS 25 -6.745 7.392 -4.392 166 HA LYS 25 HA LYS 25 -6.828 7.747 -1.512 167 1HB LYS 25 2HB LYS 25 -5.388 9.145 -2.946 168 2HB LYS 25 1HB LYS 25 -6.817 9.800 -3.746 169 1HG LYS 25 2HG LYS 25 -6.758 11.420 -2.165 170 2HG LYS 25 1HG LYS 25 -7.385 10.189 -1.067 171 1HD LYS 25 2HD LYS 25 -4.739 9.579 -1.008 172 2HD LYS 25 1HD LYS 25 -4.652 11.320 -1.275 173 1HE LYS 25 2HE LYS 25 -6.574 11.218 0.645 174 2HE LYS 25 1HE LYS 25 -5.601 9.819 1.096 175 1HZ LYS 25 1HZ LYS 25 -4.974 12.138 1.995 176 2HZ LYS 25 2HZ LYS 25 -4.293 12.376 0.456 177 3HZ LYS 25 3HZ LYS 25 -3.745 11.107 1.445 178 H MET 26 H MET 26 -8.985 8.650 -4.207 179 HA MET 26 HA MET 26 -10.947 10.009 -2.665 180 1HB MET 26 2HB MET 26 -11.203 8.366 -5.200 181 2HB MET 26 1HB MET 26 -12.520 9.327 -4.527 182 1HG MET 26 2HG MET 26 -9.834 10.591 -5.013 183 2HG MET 26 1HG MET 26 -10.977 10.404 -6.344 184 1HE MET 26 1HE MET 26 -11.418 13.678 -6.307 185 2HE MET 26 2HE MET 26 -13.011 12.950 -6.493 186 3HE MET 26 3HE MET 26 -11.587 12.096 -7.078 187 H SER 27 H SER 27 -10.159 6.647 -2.873 188 HA SER 27 HA SER 27 -12.751 5.729 -1.852 189 1HB SER 27 2HB SER 27 -10.258 4.499 -2.813 190 2HB SER 27 1HB SER 27 -10.983 3.653 -1.448 191 HG SER 27 HG SER 27 -11.948 4.079 -4.032 192 H LYS 28 H LYS 28 -9.416 5.935 -0.574 193 HA LYS 28 HA LYS 28 -9.998 5.063 2.058 194 1HB LYS 28 2HB LYS 28 -7.772 6.159 0.688 195 2HB LYS 28 1HB LYS 28 -8.027 7.166 2.114 196 1HG LYS 28 2HG LYS 28 -8.388 4.642 3.140 197 2HG LYS 28 1HG LYS 28 -7.133 4.366 1.931 198 1HD LYS 28 2HD LYS 28 -6.012 6.485 2.955 199 2HD LYS 28 1HD LYS 28 -7.065 6.176 4.336 200 1HE LYS 28 2HE LYS 28 -5.807 4.433 5.021 201 2HE LYS 28 1HE LYS 28 -5.757 3.743 3.399 202 1HZ LYS 28 1HZ LYS 28 -4.069 5.489 2.865 203 2HZ LYS 28 2HZ LYS 28 -3.554 4.313 3.977 204 3HZ LYS 28 3HZ LYS 28 -4.008 5.857 4.520 205 H LYS 29 H LYS 29 -10.449 8.194 0.514 206 HA LYS 29 HA LYS 29 -11.005 9.620 2.980 207 1HB LYS 29 2HB LYS 29 -11.693 10.262 0.096 208 2HB LYS 29 1HB LYS 29 -11.917 11.373 1.447 209 1HG LYS 29 2HG LYS 29 -9.413 10.966 1.946 210 2HG LYS 29 1HG LYS 29 -9.336 10.299 0.315 211 1HD LYS 29 2HD LYS 29 -8.867 12.508 -0.168 212 2HD LYS 29 1HD LYS 29 -10.627 12.558 -0.277 213 1HE LYS 29 2HE LYS 29 -10.825 13.837 1.588 214 2HE LYS 29 1HE LYS 29 -9.588 12.927 2.454 215 1HZ LYS 29 1HZ LYS 29 -8.224 14.612 2.078 216 2HZ LYS 29 2HZ LYS 29 -9.353 15.391 1.077 217 3HZ LYS 29 3HZ LYS 29 -8.277 14.251 0.422 218 H LYS 30 H LYS 30 -12.880 7.697 0.734 219 HA LYS 30 HA LYS 30 -15.033 7.317 2.557 220 1HB LYS 30 2HB LYS 30 -15.169 9.847 1.527 221 2HB LYS 30 1HB LYS 30 -16.141 8.953 0.358 222 1HG LYS 30 2HG LYS 30 -16.808 8.055 3.005 223 2HG LYS 30 1HG LYS 30 -16.910 9.815 2.954 224 1HD LYS 30 2HD LYS 30 -18.121 8.143 0.758 225 2HD LYS 30 1HD LYS 30 -19.007 8.444 2.254 226 1HE LYS 30 2HE LYS 30 -18.382 10.947 1.825 227 2HE LYS 30 1HE LYS 30 -18.105 10.414 0.167 228 1HZ LYS 30 1HZ LYS 30 -20.614 10.151 1.728 229 2HZ LYS 30 2HZ LYS 30 -20.363 9.443 0.204 230 3HZ LYS 30 3HZ LYS 30 -20.356 11.135 0.371 231 H ALA 31 H ALA 31 -15.223 5.211 1.872 232 HA ALA 31 HA ALA 31 -16.155 4.798 -0.919 233 1HB ALA 31 1HB ALA 31 -13.809 4.311 -1.108 234 2HB ALA 31 2HB ALA 31 -14.646 2.760 -1.044 235 3HB ALA 31 3HB ALA 31 -13.822 3.377 0.387 236 H GLY 32 H GLY 32 -15.568 3.310 2.273 237 1HA GLY 32 2HA GLY 32 -18.169 1.881 1.935 238 2HA GLY 32 1HA GLY 32 -16.753 1.011 2.525 239 H ARG 33 H ARG 33 -16.297 1.107 4.693 240 HA ARG 33 HA ARG 33 -17.951 2.996 6.322 241 1HB ARG 33 2HB ARG 33 -16.838 0.279 7.089 242 2HB ARG 33 1HB ARG 33 -17.796 1.326 8.136 243 1HG ARG 33 2HG ARG 33 -19.746 1.039 6.849 244 2HG ARG 33 1HG ARG 33 -18.842 0.478 5.441 245 1HD ARG 33 2HD ARG 33 -18.938 -1.662 6.142 246 2HD ARG 33 1HD ARG 33 -18.340 -1.223 7.741 247 HE ARG 33 HE ARG 33 -21.206 -1.303 6.942 248 1HH1 ARG 33 1HH1 ARG 33 -19.761 0.610 9.108 249 2HH1 ARG 33 2HH1 ARG 33 -20.353 -0.164 10.541 250 1HH2 ARG 33 1HH2 ARG 33 -21.531 -2.962 8.868 251 2HH2 ARG 33 2HH2 ARG 33 -21.356 -2.182 10.405 252 H GLY 34 H GLY 34 -14.769 2.001 5.478 253 1HA GLY 34 2HA GLY 34 -13.416 2.879 7.879 254 2HA GLY 34 1HA GLY 34 -12.655 2.617 6.309 Start of MODEL 9 1 1H MET 1 1HT MET 1 -5.728 -20.796 -17.174 2 2H MET 1 2HT MET 1 -7.031 -21.039 -16.111 3 3H MET 1 3HT MET 1 -5.525 -21.759 -15.793 4 HA MET 1 HA MET 1 -6.116 -18.848 -15.774 5 1HB MET 1 2HB MET 1 -6.847 -20.489 -13.843 6 2HB MET 1 1HB MET 1 -5.129 -20.463 -13.443 7 1HG MET 1 2HG MET 1 -5.296 -17.910 -13.529 8 2HG MET 1 1HG MET 1 -7.046 -18.128 -13.551 9 1HE MET 1 1HE MET 1 -7.432 -16.838 -10.999 10 2HE MET 1 2HE MET 1 -8.078 -18.265 -10.193 11 3HE MET 1 3HE MET 1 -8.334 -18.049 -11.923 12 H GLY 2 H GLY 2 -3.667 -21.200 -14.617 13 1HA GLY 2 2HA GLY 2 -1.328 -21.154 -14.813 14 2HA GLY 2 1HA GLY 2 -1.546 -20.102 -16.213 15 H LYS 3 H LYS 3 0.555 -19.383 -14.791 16 HA LYS 3 HA LYS 3 -0.116 -17.577 -12.591 17 1HB LYS 3 2HB LYS 3 2.151 -18.902 -13.223 18 2HB LYS 3 1HB LYS 3 2.509 -17.343 -13.969 19 1HG LYS 3 2HG LYS 3 2.403 -16.194 -11.934 20 2HG LYS 3 1HG LYS 3 1.419 -17.442 -11.170 21 1HD LYS 3 2HD LYS 3 3.288 -18.945 -11.024 22 2HD LYS 3 1HD LYS 3 4.282 -17.901 -12.039 23 1HE LYS 3 2HE LYS 3 3.766 -16.110 -10.168 24 2HE LYS 3 1HE LYS 3 3.464 -17.538 -9.178 25 1HZ LYS 3 1HZ LYS 3 5.764 -16.872 -9.015 26 2HZ LYS 3 2HZ LYS 3 5.946 -16.957 -10.702 27 3HZ LYS 3 3HZ LYS 3 5.657 -18.369 -9.803 28 H ALA 4 H ALA 4 0.700 -17.274 -16.028 29 HA ALA 4 HA ALA 4 0.669 -15.390 -17.438 30 1HB ALA 4 1HB ALA 4 -1.802 -15.770 -16.479 31 2HB ALA 4 2HB ALA 4 -1.411 -14.396 -17.513 32 3HB ALA 4 3HB ALA 4 -1.491 -14.188 -15.764 33 H GLU 5 H GLU 5 2.691 -15.093 -15.653 34 HA GLU 5 HA GLU 5 2.500 -12.727 -14.015 35 1HB GLU 5 2HB GLU 5 4.791 -14.351 -15.113 36 2HB GLU 5 1HB GLU 5 5.088 -12.844 -14.247 37 1HG GLU 5 2HG GLU 5 3.383 -15.079 -13.122 38 2HG GLU 5 1HG GLU 5 5.113 -14.937 -12.806 39 H ASN 6 H ASN 6 3.251 -13.304 -17.393 40 HA ASN 6 HA ASN 6 4.317 -10.631 -17.857 41 1HB ASN 6 2HB ASN 6 3.545 -12.967 -19.573 42 2HB ASN 6 1HB ASN 6 3.746 -11.386 -20.326 43 1HD2 ASN 6 1HD2 ASN 6 5.451 -14.156 -19.317 44 2HD2 ASN 6 2HD2 ASN 6 7.016 -13.500 -19.351 45 H TYR 7 H TYR 7 1.171 -12.120 -17.812 46 HA TYR 7 HA TYR 7 -0.196 -10.111 -19.376 47 1HB TYR 7 2HB TYR 7 -1.374 -12.136 -19.170 48 2HB TYR 7 1HB TYR 7 -1.054 -12.255 -17.442 49 HD1 TYR 7 1HD TYR 7 -2.467 -11.179 -15.829 50 HD2 TYR 7 2HD TYR 7 -3.034 -10.470 -20.028 51 HE1 TYR 7 1HE TYR 7 -4.628 -10.064 -15.348 52 HE2 TYR 7 2HE TYR 7 -5.195 -9.353 -19.547 53 HH TYR 7 HH TYR 7 -6.952 -9.666 -17.248 54 H GLU 8 H GLU 8 -0.042 -10.672 -15.836 55 HA GLU 8 HA GLU 8 -1.314 -8.143 -15.230 56 1HB GLU 8 2HB GLU 8 -0.267 -10.428 -13.760 57 2HB GLU 8 1HB GLU 8 0.153 -8.907 -12.973 58 1HG GLU 8 2HG GLU 8 -2.650 -9.532 -13.925 59 2HG GLU 8 1HG GLU 8 -2.090 -9.907 -12.295 60 H LEU 9 H LEU 9 2.073 -9.274 -15.123 61 HA LEU 9 HA LEU 9 3.237 -6.880 -14.164 62 1HB LEU 9 2HB LEU 9 4.411 -9.092 -14.482 63 2HB LEU 9 1HB LEU 9 4.473 -8.741 -16.210 64 HG LEU 9 HG LEU 9 5.415 -6.540 -14.484 65 1HD1 LEU 9 1HD1 LEU 9 7.676 -7.746 -14.253 66 2HD1 LEU 9 2HD1 LEU 9 6.779 -9.237 -14.548 67 3HD1 LEU 9 3HD1 LEU 9 6.397 -8.241 -13.143 68 1HD2 LEU 9 1HD2 LEU 9 7.365 -6.944 -16.251 69 2HD2 LEU 9 2HD2 LEU 9 5.850 -6.180 -16.734 70 3HD2 LEU 9 3HD2 LEU 9 6.118 -7.891 -17.062 71 H TYR 10 H TYR 10 1.826 -7.594 -17.246 72 HA TYR 10 HA TYR 10 3.207 -5.392 -18.623 73 1HB TYR 10 2HB TYR 10 2.437 -7.533 -19.757 74 2HB TYR 10 1HB TYR 10 0.786 -6.939 -19.573 75 HD1 TYR 10 1HD TYR 10 4.121 -5.603 -20.684 76 HD2 TYR 10 2HD TYR 10 -0.109 -5.813 -21.398 77 HE1 TYR 10 1HE TYR 10 4.396 -4.210 -22.716 78 HE2 TYR 10 2HE TYR 10 0.165 -4.418 -23.431 79 HH TYR 10 HH TYR 10 3.316 -3.035 -24.297 80 H GLN 11 H GLN 11 -0.178 -6.092 -17.674 81 HA GLN 11 HA GLN 11 -1.232 -3.556 -18.388 82 1HB GLN 11 2HB GLN 11 -2.056 -5.677 -16.421 83 2HB GLN 11 1HB GLN 11 -2.926 -4.144 -16.481 84 1HG GLN 11 2HG GLN 11 -2.445 -5.271 -19.141 85 2HG GLN 11 1HG GLN 11 -3.409 -6.333 -18.114 86 1HE2 GLN 11 1HE2 GLN 11 -3.274 -2.991 -19.401 87 2HE2 GLN 11 2HE2 GLN 11 -4.938 -2.694 -19.238 88 H VAL 12 H VAL 12 0.639 -4.553 -15.605 89 HA VAL 12 HA VAL 12 0.016 -2.080 -14.128 90 HB VAL 12 HB VAL 12 0.398 -4.255 -12.949 91 1HG1 VAL 12 1HG1 VAL 12 2.641 -4.344 -14.670 92 2HG1 VAL 12 2HG1 VAL 12 2.198 -5.516 -13.429 93 3HG1 VAL 12 3HG1 VAL 12 3.281 -4.182 -13.035 94 1HG2 VAL 12 1HG2 VAL 12 1.346 -1.688 -12.297 95 2HG2 VAL 12 2HG2 VAL 12 2.661 -2.785 -11.877 96 3HG2 VAL 12 3HG2 VAL 12 1.059 -3.021 -11.179 97 H GLU 13 H GLU 13 2.477 -3.313 -16.277 98 HA GLU 13 HA GLU 13 4.404 -1.211 -15.587 99 1HB GLU 13 2HB GLU 13 4.343 -3.599 -17.314 100 2HB GLU 13 1HB GLU 13 5.248 -2.245 -17.990 101 1HG GLU 13 2HG GLU 13 6.600 -2.082 -15.964 102 2HG GLU 13 1HG GLU 13 5.647 -3.354 -15.196 103 H LEU 14 H LEU 14 1.647 -1.486 -17.586 104 HA LEU 14 HA LEU 14 2.389 0.243 -19.741 105 1HB LEU 14 2HB LEU 14 -0.040 -0.975 -18.720 106 2HB LEU 14 1HB LEU 14 -0.340 0.685 -19.233 107 HG LEU 14 HG LEU 14 -0.656 -0.748 -21.155 108 1HD1 LEU 14 1HD1 LEU 14 0.476 0.637 -22.545 109 2HD1 LEU 14 2HD1 LEU 14 2.039 0.136 -21.902 110 3HD1 LEU 14 3HD1 LEU 14 1.106 1.385 -21.078 111 1HD2 LEU 14 1HD2 LEU 14 0.431 -2.741 -21.011 112 2HD2 LEU 14 2HD2 LEU 14 1.732 -2.063 -20.031 113 3HD2 LEU 14 3HD2 LEU 14 1.766 -1.888 -21.786 114 H GLY 15 H GLY 15 0.638 0.966 -16.699 115 1HA GLY 15 2HA GLY 15 0.888 3.850 -17.186 116 2HA GLY 15 1HA GLY 15 0.155 3.098 -15.767 117 HA PRO 16 HA PRO 16 4.540 4.538 -14.853 118 1HB PRO 16 2HB PRO 16 3.923 6.853 -13.506 119 2HB PRO 16 1HB PRO 16 4.266 6.793 -15.243 120 1HG PRO 16 2HG PRO 16 1.646 7.126 -13.859 121 2HG PRO 16 1HG PRO 16 2.138 7.664 -15.472 122 1HD PRO 16 2HD PRO 16 0.548 5.393 -14.893 123 2HD PRO 16 1HD PRO 16 1.317 5.761 -16.452 124 H GLY 17 H GLY 17 2.637 6.098 -12.368 125 1HA GLY 17 2HA GLY 17 2.422 3.777 -10.635 126 2HA GLY 17 1HA GLY 17 3.757 4.832 -10.172 127 HA PRO 18 HA PRO 18 0.885 7.401 -8.079 128 1HB PRO 18 2HB PRO 18 2.276 9.771 -8.152 129 2HB PRO 18 1HB PRO 18 2.708 8.416 -7.096 130 1HG PRO 18 2HG PRO 18 4.044 9.346 -9.596 131 2HG PRO 18 1HG PRO 18 4.729 8.474 -8.213 132 1HD PRO 18 2HD PRO 18 4.011 7.332 -10.703 133 2HD PRO 18 1HD PRO 18 4.379 6.439 -9.212 134 H SER 19 H SER 19 2.303 8.982 -10.968 135 HA SER 19 HA SER 19 0.022 9.296 -12.496 136 1HB SER 19 2HB SER 19 -1.212 10.443 -10.845 137 2HB SER 19 1HB SER 19 0.191 11.364 -10.309 138 HG SER 19 HG SER 19 -0.003 12.675 -12.010 139 H GLY 20 H GLY 20 2.490 11.522 -11.153 140 1HA GLY 20 2HA GLY 20 3.356 12.029 -13.973 141 2HA GLY 20 1HA GLY 20 3.368 13.289 -12.738 142 H ASP 21 H ASP 21 4.282 10.012 -11.944 143 HA ASP 21 HA ASP 21 7.007 10.990 -11.312 144 1HB ASP 21 2HB ASP 21 5.875 9.750 -9.549 145 2HB ASP 21 1HB ASP 21 5.574 8.401 -10.645 146 H MET 22 H MET 22 6.802 10.925 -13.989 147 HA MET 22 HA MET 22 7.905 8.292 -14.859 148 1HB MET 22 2HB MET 22 5.903 9.342 -16.059 149 2HB MET 22 1HB MET 22 7.028 10.565 -16.650 150 1HG MET 22 2HG MET 22 8.418 8.296 -17.225 151 2HG MET 22 1HG MET 22 6.763 7.718 -17.416 152 1HE MET 22 1HE MET 22 5.461 9.061 -20.517 153 2HE MET 22 2HE MET 22 4.906 9.246 -18.855 154 3HE MET 22 3HE MET 22 5.639 7.728 -19.369 155 H ALA 23 H ALA 23 9.594 9.985 -13.359 156 HA ALA 23 HA ALA 23 11.681 10.515 -15.390 157 1HB ALA 23 1HB ALA 23 11.650 12.759 -15.187 158 2HB ALA 23 2HB ALA 23 11.719 12.640 -13.429 159 3HB ALA 23 3HB ALA 23 10.160 12.606 -14.254 160 H ALA 24 H ALA 24 11.060 10.997 -11.890 161 HA ALA 24 HA ALA 24 13.708 10.452 -11.037 162 1HB ALA 24 1HB ALA 24 11.154 10.872 -9.812 163 2HB ALA 24 2HB ALA 24 12.751 10.988 -9.071 164 3HB ALA 24 3HB ALA 24 11.891 9.449 -9.076 165 H LYS 25 H LYS 25 10.994 8.268 -11.688 166 HA LYS 25 HA LYS 25 12.364 5.902 -10.719 167 1HB LYS 25 2HB LYS 25 9.768 6.540 -11.624 168 2HB LYS 25 1HB LYS 25 10.378 5.316 -12.738 169 1HG LYS 25 2HG LYS 25 9.242 4.302 -10.774 170 2HG LYS 25 1HG LYS 25 10.946 3.851 -10.857 171 1HD LYS 25 2HD LYS 25 10.765 6.295 -9.395 172 2HD LYS 25 1HD LYS 25 9.575 5.177 -8.728 173 1HE LYS 25 2HE LYS 25 11.358 3.431 -8.586 174 2HE LYS 25 1HE LYS 25 12.531 4.633 -9.127 175 1HZ LYS 25 1HZ LYS 25 10.857 5.446 -6.908 176 2HZ LYS 25 2HZ LYS 25 12.525 5.659 -7.149 177 3HZ LYS 25 3HZ LYS 25 11.931 4.179 -6.566 178 H MET 26 H MET 26 11.732 7.221 -13.983 179 HA MET 26 HA MET 26 13.067 5.209 -15.459 180 1HB MET 26 2HB MET 26 12.991 8.175 -16.094 181 2HB MET 26 1HB MET 26 13.257 6.865 -17.243 182 1HG MET 26 2HG MET 26 10.781 6.820 -15.552 183 2HG MET 26 1HG MET 26 10.843 7.903 -16.944 184 1HE MET 26 1HE MET 26 10.077 6.232 -19.774 185 2HE MET 26 2HE MET 26 9.899 7.540 -18.607 186 3HE MET 26 3HE MET 26 8.783 6.179 -18.570 187 H SER 27 H SER 27 14.346 7.603 -13.338 188 HA SER 27 HA SER 27 17.049 7.471 -14.526 189 1HB SER 27 2HB SER 27 15.786 9.023 -12.280 190 2HB SER 27 1HB SER 27 17.541 8.899 -12.386 191 HG SER 27 HG SER 27 15.700 10.090 -14.143 192 H LYS 28 H LYS 28 15.292 6.281 -11.693 193 HA LYS 28 HA LYS 28 17.572 5.249 -10.291 194 1HB LYS 28 2HB LYS 28 15.178 5.569 -9.412 195 2HB LYS 28 1HB LYS 28 14.803 4.040 -10.206 196 1HG LYS 28 2HG LYS 28 15.501 3.082 -8.272 197 2HG LYS 28 1HG LYS 28 17.127 3.433 -8.859 198 1HD LYS 28 2HD LYS 28 17.127 5.575 -7.681 199 2HD LYS 28 1HD LYS 28 15.464 5.308 -7.151 200 1HE LYS 28 2HE LYS 28 16.227 3.238 -5.967 201 2HE LYS 28 1HE LYS 28 17.887 3.647 -6.400 202 1HZ LYS 28 1HZ LYS 28 17.917 5.422 -4.991 203 2HZ LYS 28 2HZ LYS 28 16.858 4.407 -4.136 204 3HZ LYS 28 3HZ LYS 28 16.244 5.680 -5.077 205 H LYS 29 H LYS 29 15.160 3.499 -12.293 206 HA LYS 29 HA LYS 29 16.668 1.056 -12.335 207 1HB LYS 29 2HB LYS 29 14.170 1.971 -13.320 208 2HB LYS 29 1HB LYS 29 15.057 1.330 -14.703 209 1HG LYS 29 2HG LYS 29 14.115 -0.627 -13.909 210 2HG LYS 29 1HG LYS 29 15.617 -0.626 -12.986 211 1HD LYS 29 2HD LYS 29 14.428 0.516 -11.116 212 2HD LYS 29 1HD LYS 29 12.926 0.396 -12.032 213 1HE LYS 29 2HE LYS 29 13.028 -1.461 -10.466 214 2HE LYS 29 1HE LYS 29 13.228 -2.090 -12.101 215 1HZ LYS 29 1HZ LYS 29 15.759 -1.440 -11.253 216 2HZ LYS 29 2HZ LYS 29 15.104 -3.001 -11.393 217 3HZ LYS 29 3HZ LYS 29 15.035 -2.179 -9.908 218 H LYS 30 H LYS 30 16.940 4.013 -14.124 219 HA LYS 30 HA LYS 30 19.257 2.884 -15.573 220 1HB LYS 30 2HB LYS 30 16.704 3.296 -16.818 221 2HB LYS 30 1HB LYS 30 17.851 4.461 -17.478 222 1HG LYS 30 2HG LYS 30 19.464 2.424 -17.659 223 2HG LYS 30 1HG LYS 30 18.000 1.453 -17.503 224 1HD LYS 30 2HD LYS 30 17.071 3.033 -19.377 225 2HD LYS 30 1HD LYS 30 18.776 3.360 -19.693 226 1HE LYS 30 2HE LYS 30 19.165 0.896 -19.877 227 2HE LYS 30 1HE LYS 30 17.428 0.645 -19.702 228 1HZ LYS 30 1HZ LYS 30 17.667 2.553 -21.648 229 2HZ LYS 30 2HZ LYS 30 17.309 0.910 -21.888 230 3HZ LYS 30 3HZ LYS 30 18.915 1.457 -21.995 231 H ALA 31 H ALA 31 20.390 4.368 -14.134 232 HA ALA 31 HA ALA 31 19.979 7.250 -14.818 233 1HB ALA 31 1HB ALA 31 20.422 5.861 -12.309 234 2HB ALA 31 2HB ALA 31 19.965 7.541 -12.583 235 3HB ALA 31 3HB ALA 31 21.667 7.080 -12.580 236 H GLY 32 H GLY 32 22.698 5.222 -13.651 237 1HA GLY 32 2HA GLY 32 24.417 6.636 -15.648 238 2HA GLY 32 1HA GLY 32 25.011 5.971 -14.126 239 H ARG 33 H ARG 33 26.459 5.088 -16.110 240 HA ARG 33 HA ARG 33 25.344 2.765 -17.473 241 1HB ARG 33 2HB ARG 33 27.577 4.386 -17.835 242 2HB ARG 33 1HB ARG 33 28.261 2.853 -17.291 243 1HG ARG 33 2HG ARG 33 27.668 1.770 -19.198 244 2HG ARG 33 1HG ARG 33 26.100 2.573 -19.276 245 1HD ARG 33 2HD ARG 33 28.317 4.423 -19.732 246 2HD ARG 33 1HD ARG 33 28.283 3.112 -20.913 247 HE ARG 33 HE ARG 33 25.637 4.079 -20.675 248 1HH1 ARG 33 1HH1 ARG 33 28.655 4.618 -22.170 249 2HH1 ARG 33 2HH1 ARG 33 28.122 5.980 -23.097 250 1HH2 ARG 33 1HH2 ARG 33 24.975 6.075 -21.645 251 2HH2 ARG 33 2HH2 ARG 33 26.038 6.805 -22.801 252 H GLY 34 H GLY 34 28.252 2.825 -15.402 253 1HA GLY 34 2HA GLY 34 27.152 0.895 -13.525 254 2HA GLY 34 1HA GLY 34 28.278 0.155 -14.664 Start of MODEL 10 1 1H MET 1 1HT MET 1 8.524 -19.148 -18.376 2 2H MET 1 2HT MET 1 7.319 -20.085 -19.122 3 3H MET 1 3HT MET 1 7.309 -19.867 -17.437 4 HA MET 1 HA MET 1 7.308 -17.330 -18.586 5 1HB MET 1 2HB MET 1 5.175 -19.182 -19.695 6 2HB MET 1 1HB MET 1 5.252 -17.435 -19.926 7 1HG MET 1 2HG MET 1 7.737 -18.122 -20.761 8 2HG MET 1 1HG MET 1 6.851 -19.583 -21.202 9 1HE MET 1 1HE MET 1 7.914 -17.687 -23.959 10 2HE MET 1 2HE MET 1 8.408 -17.147 -22.356 11 3HE MET 1 3HE MET 1 7.526 -16.049 -23.414 12 H GLY 2 H GLY 2 5.393 -20.013 -17.250 13 1HA GLY 2 2HA GLY 2 4.457 -19.931 -15.017 14 2HA GLY 2 1HA GLY 2 4.493 -18.170 -15.100 15 H LYS 3 H LYS 3 2.168 -18.618 -14.316 16 HA LYS 3 HA LYS 3 0.290 -19.566 -16.355 17 1HB LYS 3 2HB LYS 3 0.135 -18.623 -13.537 18 2HB LYS 3 1HB LYS 3 -1.306 -18.384 -14.527 19 1HG LYS 3 2HG LYS 3 -0.074 -21.037 -14.852 20 2HG LYS 3 1HG LYS 3 -0.673 -20.724 -13.222 21 1HD LYS 3 2HD LYS 3 -2.857 -20.670 -13.892 22 2HD LYS 3 1HD LYS 3 -2.472 -19.890 -15.426 23 1HE LYS 3 2HE LYS 3 -1.729 -21.977 -16.384 24 2HE LYS 3 1HE LYS 3 -1.847 -22.792 -14.825 25 1HZ LYS 3 1HZ LYS 3 -3.771 -23.307 -16.127 26 2HZ LYS 3 2HZ LYS 3 -4.087 -21.662 -16.411 27 3HZ LYS 3 3HZ LYS 3 -4.246 -22.304 -14.847 28 H ALA 4 H ALA 4 0.371 -16.456 -14.583 29 HA ALA 4 HA ALA 4 -0.044 -15.068 -17.189 30 1HB ALA 4 1HB ALA 4 -2.263 -15.147 -16.361 31 2HB ALA 4 2HB ALA 4 -1.679 -13.557 -15.873 32 3HB ALA 4 3HB ALA 4 -1.741 -14.869 -14.699 33 H GLU 5 H GLU 5 2.410 -15.180 -15.953 34 HA GLU 5 HA GLU 5 2.844 -13.026 -14.076 35 1HB GLU 5 2HB GLU 5 4.404 -14.953 -14.353 36 2HB GLU 5 1HB GLU 5 4.836 -14.337 -15.949 37 1HG GLU 5 2HG GLU 5 5.828 -12.379 -15.050 38 2HG GLU 5 1HG GLU 5 5.069 -12.620 -13.476 39 H ASN 6 H ASN 6 3.770 -13.310 -17.531 40 HA ASN 6 HA ASN 6 4.418 -10.531 -17.803 41 1HB ASN 6 2HB ASN 6 4.381 -12.857 -19.473 42 2HB ASN 6 1HB ASN 6 3.523 -11.564 -20.311 43 1HD2 ASN 6 1HD2 ASN 6 4.827 -9.279 -19.812 44 2HD2 ASN 6 2HD2 ASN 6 6.482 -9.378 -20.173 45 H TYR 7 H TYR 7 1.423 -12.166 -17.591 46 HA TYR 7 HA TYR 7 -0.183 -10.367 -19.177 47 1HB TYR 7 2HB TYR 7 -1.121 -12.502 -18.685 48 2HB TYR 7 1HB TYR 7 -0.815 -12.317 -16.960 49 HD1 TYR 7 1HD TYR 7 -2.679 -11.860 -15.658 50 HD2 TYR 7 2HD TYR 7 -2.521 -10.365 -19.681 51 HE1 TYR 7 1HE TYR 7 -4.921 -10.842 -15.368 52 HE2 TYR 7 2HE TYR 7 -4.763 -9.345 -19.391 53 HH TYR 7 HH TYR 7 -6.857 -10.167 -17.003 54 H GLU 8 H GLU 8 -0.410 -10.753 -15.634 55 HA GLU 8 HA GLU 8 -1.471 -8.141 -15.206 56 1HB GLU 8 2HB GLU 8 -0.610 -10.389 -13.589 57 2HB GLU 8 1HB GLU 8 -0.095 -8.867 -12.860 58 1HG GLU 8 2HG GLU 8 -2.556 -8.107 -13.439 59 2HG GLU 8 1HG GLU 8 -2.871 -9.843 -13.442 60 H LEU 9 H LEU 9 1.846 -9.349 -15.263 61 HA LEU 9 HA LEU 9 3.127 -7.042 -14.183 62 1HB LEU 9 2HB LEU 9 4.144 -9.348 -14.680 63 2HB LEU 9 1HB LEU 9 4.310 -8.790 -16.345 64 HG LEU 9 HG LEU 9 5.272 -6.859 -14.346 65 1HD1 LEU 9 1HD1 LEU 9 6.945 -9.332 -14.789 66 2HD1 LEU 9 2HD1 LEU 9 5.849 -9.204 -13.413 67 3HD1 LEU 9 3HD1 LEU 9 7.172 -8.052 -13.596 68 1HD2 LEU 9 1HD2 LEU 9 5.586 -6.690 -16.816 69 2HD2 LEU 9 2HD2 LEU 9 6.562 -8.159 -16.768 70 3HD2 LEU 9 3HD2 LEU 9 7.120 -6.701 -15.947 71 H TYR 10 H TYR 10 1.715 -7.638 -17.316 72 HA TYR 10 HA TYR 10 3.142 -5.450 -18.629 73 1HB TYR 10 2HB TYR 10 2.302 -7.392 -19.913 74 2HB TYR 10 1HB TYR 10 0.651 -6.944 -19.487 75 HD1 TYR 10 1HD TYR 10 -0.453 -6.023 -21.321 76 HD2 TYR 10 2HD TYR 10 3.650 -4.978 -20.596 77 HE1 TYR 10 1HE TYR 10 -0.519 -4.437 -23.227 78 HE2 TYR 10 2HE TYR 10 3.583 -3.391 -22.501 79 HH TYR 10 HH TYR 10 2.347 -2.949 -24.481 80 H GLN 11 H GLN 11 -0.346 -5.921 -17.953 81 HA GLN 11 HA GLN 11 -1.245 -3.345 -18.434 82 1HB GLN 11 2HB GLN 11 -2.095 -5.105 -16.115 83 2HB GLN 11 1HB GLN 11 -3.030 -3.774 -16.796 84 1HG GLN 11 2HG GLN 11 -2.438 -5.276 -19.031 85 2HG GLN 11 1HG GLN 11 -2.681 -6.514 -17.797 86 1HE2 GLN 11 1HE2 GLN 11 -4.513 -5.896 -20.051 87 2HE2 GLN 11 2HE2 GLN 11 -5.988 -5.437 -19.349 88 H VAL 12 H VAL 12 0.472 -4.486 -15.548 89 HA VAL 12 HA VAL 12 0.128 -1.999 -14.095 90 HB VAL 12 HB VAL 12 0.605 -4.117 -12.934 91 1HG1 VAL 12 1HG1 VAL 12 2.168 -4.876 -14.849 92 2HG1 VAL 12 2HG1 VAL 12 2.630 -5.304 -13.202 93 3HG1 VAL 12 3HG1 VAL 12 3.416 -3.949 -14.014 94 1HG2 VAL 12 1HG2 VAL 12 2.238 -1.678 -12.661 95 2HG2 VAL 12 2HG2 VAL 12 2.946 -3.103 -11.904 96 3HG2 VAL 12 3HG2 VAL 12 1.332 -2.566 -11.437 97 H GLU 13 H GLU 13 2.673 -3.330 -16.189 98 HA GLU 13 HA GLU 13 4.639 -1.332 -15.729 99 1HB GLU 13 2HB GLU 13 4.986 -3.445 -17.045 100 2HB GLU 13 1HB GLU 13 4.069 -2.718 -18.366 101 1HG GLU 13 2HG GLU 13 5.714 -0.774 -18.277 102 2HG GLU 13 1HG GLU 13 6.698 -1.772 -17.205 103 H LEU 14 H LEU 14 2.274 -1.473 -18.427 104 HA LEU 14 HA LEU 14 2.816 1.156 -19.382 105 1HB LEU 14 2HB LEU 14 0.712 0.966 -20.595 106 2HB LEU 14 1HB LEU 14 1.537 -0.592 -20.637 107 HG LEU 14 HG LEU 14 0.086 -0.840 -18.338 108 1HD1 LEU 14 1HD1 LEU 14 -1.256 1.144 -20.120 109 2HD1 LEU 14 2HD1 LEU 14 -1.293 1.008 -18.363 110 3HD1 LEU 14 3HD1 LEU 14 -2.269 -0.079 -19.351 111 1HD2 LEU 14 1HD2 LEU 14 0.138 -2.552 -20.019 112 2HD2 LEU 14 2HD2 LEU 14 -0.639 -1.502 -21.204 113 3HD2 LEU 14 3HD2 LEU 14 -1.557 -2.106 -19.825 114 H GLY 15 H GLY 15 0.777 -0.004 -16.769 115 1HA GLY 15 2HA GLY 15 -0.947 2.157 -16.356 116 2HA GLY 15 1HA GLY 15 -0.249 1.216 -15.037 117 HA PRO 16 HA PRO 16 1.610 5.567 -15.307 118 1HB PRO 16 2HB PRO 16 -0.110 6.935 -13.654 119 2HB PRO 16 1HB PRO 16 -0.292 6.867 -15.416 120 1HG PRO 16 2HG PRO 16 -1.864 5.456 -13.310 121 2HG PRO 16 1HG PRO 16 -2.349 5.924 -14.948 122 1HD PRO 16 2HD PRO 16 -1.588 3.323 -14.120 123 2HD PRO 16 1HD PRO 16 -1.758 3.878 -15.800 124 H GLY 17 H GLY 17 0.780 3.212 -13.059 125 1HA GLY 17 2HA GLY 17 1.676 4.444 -10.611 126 2HA GLY 17 1HA GLY 17 1.533 2.709 -10.891 127 HA PRO 18 HA PRO 18 6.026 4.239 -11.175 128 1HB PRO 18 2HB PRO 18 6.792 4.079 -8.541 129 2HB PRO 18 1HB PRO 18 6.201 5.567 -9.300 130 1HG PRO 18 2HG PRO 18 4.801 3.745 -7.397 131 2HG PRO 18 1HG PRO 18 4.561 5.479 -7.672 132 1HD PRO 18 2HD PRO 18 2.912 3.409 -8.664 133 2HD PRO 18 1HD PRO 18 2.903 5.098 -9.212 134 H SER 19 H SER 19 4.415 1.745 -9.283 135 HA SER 19 HA SER 19 6.647 -0.030 -8.983 136 1HB SER 19 2HB SER 19 4.822 -1.799 -8.783 137 2HB SER 19 1HB SER 19 4.694 -0.449 -7.659 138 HG SER 19 HG SER 19 3.451 -0.255 -10.160 139 H GLY 20 H GLY 20 4.885 0.932 -11.739 140 1HA GLY 20 2HA GLY 20 6.093 -1.331 -13.277 141 2HA GLY 20 1HA GLY 20 4.456 -0.772 -13.620 142 H ASP 21 H ASP 21 6.676 1.679 -12.692 143 HA ASP 21 HA ASP 21 7.007 2.449 -15.566 144 1HB ASP 21 2HB ASP 21 5.571 3.834 -13.632 145 2HB ASP 21 1HB ASP 21 7.128 4.660 -13.650 146 H MET 22 H MET 22 8.408 2.469 -12.314 147 HA MET 22 HA MET 22 10.966 3.520 -13.336 148 1HB MET 22 2HB MET 22 10.113 2.563 -10.587 149 2HB MET 22 1HB MET 22 11.700 3.235 -10.958 150 1HG MET 22 2HG MET 22 9.093 4.692 -11.464 151 2HG MET 22 1HG MET 22 10.086 4.923 -10.026 152 1HE MET 22 1HE MET 22 13.038 6.862 -10.943 153 2HE MET 22 2HE MET 22 12.446 5.505 -9.992 154 3HE MET 22 3HE MET 22 11.578 7.038 -9.961 155 H ALA 23 H ALA 23 9.526 0.605 -13.580 156 HA ALA 23 HA ALA 23 12.065 -0.905 -13.120 157 1HB ALA 23 1HB ALA 23 9.342 -2.150 -13.502 158 2HB ALA 23 2HB ALA 23 9.878 -1.588 -11.919 159 3HB ALA 23 3HB ALA 23 10.775 -2.857 -12.755 160 H ALA 24 H ALA 24 10.371 0.563 -15.541 161 HA ALA 24 HA ALA 24 10.337 -1.449 -17.593 162 1HB ALA 24 1HB ALA 24 10.349 1.567 -17.620 163 2HB ALA 24 2HB ALA 24 9.038 0.469 -18.049 164 3HB ALA 24 3HB ALA 24 10.428 0.646 -19.121 165 H LYS 25 H LYS 25 12.778 0.923 -16.574 166 HA LYS 25 HA LYS 25 14.630 0.238 -18.701 167 1HB LYS 25 2HB LYS 25 14.574 2.028 -16.375 168 2HB LYS 25 1HB LYS 25 16.163 1.316 -16.663 169 1HG LYS 25 2HG LYS 25 16.440 2.920 -18.232 170 2HG LYS 25 1HG LYS 25 15.298 1.999 -19.213 171 1HD LYS 25 2HD LYS 25 13.425 3.273 -18.188 172 2HD LYS 25 1HD LYS 25 14.598 4.231 -17.284 173 1HE LYS 25 2HE LYS 25 15.656 4.738 -19.594 174 2HE LYS 25 1HE LYS 25 14.130 4.160 -20.262 175 1HZ LYS 25 1HZ LYS 25 14.702 6.580 -18.757 176 2HZ LYS 25 2HZ LYS 25 13.240 5.799 -18.379 177 3HZ LYS 25 3HZ LYS 25 13.551 6.302 -19.972 178 H MET 26 H MET 26 14.601 -0.469 -15.186 179 HA MET 26 HA MET 26 16.835 -2.111 -15.013 180 1HB MET 26 2HB MET 26 14.132 -2.480 -13.690 181 2HB MET 26 1HB MET 26 15.589 -3.355 -13.216 182 1HG MET 26 2HG MET 26 15.325 -0.334 -13.251 183 2HG MET 26 1HG MET 26 15.200 -1.338 -11.806 184 1HE MET 26 1HE MET 26 18.233 0.166 -10.864 185 2HE MET 26 2HE MET 26 16.625 0.637 -11.409 186 3HE MET 26 3HE MET 26 18.034 1.058 -12.379 187 H SER 27 H SER 27 13.796 -2.790 -16.598 188 HA SER 27 HA SER 27 14.353 -5.659 -16.861 189 1HB SER 27 2HB SER 27 12.145 -3.820 -17.532 190 2HB SER 27 1HB SER 27 12.387 -5.121 -18.695 191 HG SER 27 HG SER 27 11.505 -6.390 -17.284 192 H LYS 28 H LYS 28 14.455 -2.777 -18.953 193 HA LYS 28 HA LYS 28 15.095 -4.029 -21.396 194 1HB LYS 28 2HB LYS 28 14.680 -1.554 -21.006 195 2HB LYS 28 1HB LYS 28 16.338 -1.445 -20.417 196 1HG LYS 28 2HG LYS 28 17.155 -1.432 -22.515 197 2HG LYS 28 1HG LYS 28 16.240 -2.881 -22.933 198 1HD LYS 28 2HD LYS 28 14.454 -0.623 -22.689 199 2HD LYS 28 1HD LYS 28 15.752 -0.248 -23.823 200 1HE LYS 28 2HE LYS 28 15.169 -2.776 -24.603 201 2HE LYS 28 1HE LYS 28 13.583 -2.260 -24.031 202 1HZ LYS 28 1HZ LYS 28 15.247 -1.077 -26.162 203 2HZ LYS 28 2HZ LYS 28 14.023 -0.175 -25.404 204 3HZ LYS 28 3HZ LYS 28 13.637 -1.599 -26.244 205 H LYS 29 H LYS 29 17.241 -3.106 -18.709 206 HA LYS 29 HA LYS 29 19.749 -3.582 -19.771 207 1HB LYS 29 2HB LYS 29 18.687 -4.479 -17.075 208 2HB LYS 29 1HB LYS 29 20.398 -4.446 -17.505 209 1HG LYS 29 2HG LYS 29 18.499 -2.090 -17.360 210 2HG LYS 29 1HG LYS 29 19.916 -2.385 -16.351 211 1HD LYS 29 2HD LYS 29 21.171 -2.433 -18.680 212 2HD LYS 29 1HD LYS 29 19.778 -1.488 -19.207 213 1HE LYS 29 2HE LYS 29 20.253 0.277 -17.740 214 2HE LYS 29 1HE LYS 29 21.234 -0.740 -16.683 215 1HZ LYS 29 1HZ LYS 29 22.097 -0.381 -19.458 216 2HZ LYS 29 2HZ LYS 29 23.028 -0.604 -18.053 217 3HZ LYS 29 3HZ LYS 29 22.327 0.909 -18.379 218 H LYS 30 H LYS 30 17.752 -6.147 -18.248 219 HA LYS 30 HA LYS 30 19.318 -8.135 -19.827 220 1HB LYS 30 2HB LYS 30 17.847 -8.221 -17.221 221 2HB LYS 30 1HB LYS 30 17.963 -9.707 -18.164 222 1HG LYS 30 2HG LYS 30 19.901 -9.812 -16.857 223 2HG LYS 30 1HG LYS 30 20.502 -9.082 -18.346 224 1HD LYS 30 2HD LYS 30 21.122 -7.230 -17.230 225 2HD LYS 30 1HD LYS 30 19.478 -7.013 -16.628 226 1HE LYS 30 2HE LYS 30 20.701 -9.202 -15.224 227 2HE LYS 30 1HE LYS 30 21.775 -7.804 -15.153 228 1HZ LYS 30 1HZ LYS 30 19.795 -8.124 -13.466 229 2HZ LYS 30 2HZ LYS 30 18.926 -7.347 -14.701 230 3HZ LYS 30 3HZ LYS 30 20.272 -6.586 -13.999 231 H ALA 31 H ALA 31 17.857 -7.241 -21.663 232 HA ALA 31 HA ALA 31 15.244 -8.698 -21.632 233 1HB ALA 31 1HB ALA 31 15.688 -6.013 -22.110 234 2HB ALA 31 2HB ALA 31 14.264 -6.914 -22.631 235 3HB ALA 31 3HB ALA 31 15.618 -6.686 -23.739 236 H GLY 32 H GLY 32 17.501 -7.467 -24.130 237 1HA GLY 32 2HA GLY 32 17.475 -10.213 -25.317 238 2HA GLY 32 1HA GLY 32 17.283 -8.782 -26.331 239 H ARG 33 H ARG 33 19.110 -7.259 -26.416 240 HA ARG 33 HA ARG 33 21.698 -8.275 -25.406 241 1HB ARG 33 2HB ARG 33 22.710 -8.026 -27.699 242 2HB ARG 33 1HB ARG 33 21.565 -9.361 -27.569 243 1HG ARG 33 2HG ARG 33 20.735 -8.387 -29.481 244 2HG ARG 33 1HG ARG 33 19.851 -7.428 -28.294 245 1HD ARG 33 2HD ARG 33 21.237 -5.571 -28.561 246 2HD ARG 33 1HD ARG 33 22.581 -6.536 -29.171 247 HE ARG 33 HE ARG 33 21.444 -6.656 -31.328 248 1HH1 ARG 33 1HH2 ARG 33 21.065 -3.840 -29.675 249 2HH1 ARG 33 2HH2 ARG 33 19.608 -3.330 -30.460 250 1HH2 ARG 33 1HH1 ARG 33 19.071 -6.375 -32.029 251 2HH2 ARG 33 2HH1 ARG 33 18.479 -4.765 -31.791 252 H GLY 34 H GLY 34 20.042 -5.941 -24.818 253 1HA GLY 34 2HA GLY 34 20.388 -3.651 -24.427 254 2HA GLY 34 1HA GLY 34 22.070 -3.913 -24.896 Start of MODEL 11 1 1H MET 1 1HT MET 1 0.567 -24.326 -11.153 2 2H MET 1 2HT MET 1 1.622 -24.887 -12.361 3 3H MET 1 3HT MET 1 0.848 -23.383 -12.534 4 HA MET 1 HA MET 1 2.374 -23.582 -10.111 5 1HB MET 1 2HB MET 1 3.541 -24.786 -12.339 6 2HB MET 1 1HB MET 1 4.203 -23.151 -12.344 7 1HG MET 1 2HG MET 1 5.691 -24.330 -10.949 8 2HG MET 1 1HG MET 1 4.604 -23.536 -9.808 9 1HE MET 1 1HE MET 1 4.280 -27.395 -11.786 10 2HE MET 1 2HE MET 1 5.622 -27.667 -10.677 11 3HE MET 1 3HE MET 1 5.661 -26.289 -11.774 12 H GLY 2 H GLY 2 2.516 -22.080 -13.366 13 1HA GLY 2 2HA GLY 2 2.372 -19.427 -11.990 14 2HA GLY 2 1HA GLY 2 3.175 -19.691 -13.539 15 H LYS 3 H LYS 3 1.613 -17.811 -14.059 16 HA LYS 3 HA LYS 3 -0.281 -18.463 -15.906 17 1HB LYS 3 2HB LYS 3 -1.320 -18.960 -13.197 18 2HB LYS 3 1HB LYS 3 -2.363 -17.958 -14.207 19 1HG LYS 3 2HG LYS 3 -2.712 -19.638 -15.761 20 2HG LYS 3 1HG LYS 3 -1.172 -20.426 -15.412 21 1HD LYS 3 2HD LYS 3 -2.694 -20.500 -13.016 22 2HD LYS 3 1HD LYS 3 -3.767 -21.010 -14.321 23 1HE LYS 3 2HE LYS 3 -1.183 -22.204 -14.717 24 2HE LYS 3 1HE LYS 3 -1.719 -22.530 -13.069 25 1HZ LYS 3 1HZ LYS 3 -3.833 -22.815 -14.968 26 2HZ LYS 3 2HZ LYS 3 -3.278 -23.912 -13.794 27 3HZ LYS 3 3HZ LYS 3 -2.532 -23.845 -15.320 28 H ALA 4 H ALA 4 -0.673 -16.595 -16.863 29 HA ALA 4 HA ALA 4 -0.887 -14.289 -17.237 30 1HB ALA 4 1HB ALA 4 -2.919 -14.348 -16.015 31 2HB ALA 4 2HB ALA 4 -2.000 -13.035 -15.279 32 3HB ALA 4 3HB ALA 4 -2.085 -14.607 -14.482 33 H GLU 5 H GLU 5 1.633 -15.366 -16.103 34 HA GLU 5 HA GLU 5 2.667 -13.627 -14.083 35 1HB GLU 5 2HB GLU 5 3.822 -15.460 -16.130 36 2HB GLU 5 1HB GLU 5 4.901 -14.242 -15.449 37 1HG GLU 5 2HG GLU 5 3.200 -15.686 -13.495 38 2HG GLU 5 1HG GLU 5 4.454 -16.649 -14.278 39 H ASN 6 H ASN 6 3.609 -13.549 -17.534 40 HA ASN 6 HA ASN 6 4.477 -10.803 -17.375 41 1HB ASN 6 2HB ASN 6 4.522 -12.918 -19.303 42 2HB ASN 6 1HB ASN 6 3.829 -11.491 -20.072 43 1HD2 ASN 6 1HD2 ASN 6 6.517 -12.617 -20.596 44 2HD2 ASN 6 2HD2 ASN 6 7.631 -11.404 -20.187 45 H TYR 7 H TYR 7 1.392 -12.244 -17.677 46 HA TYR 7 HA TYR 7 0.049 -10.273 -19.258 47 1HB TYR 7 2HB TYR 7 -1.060 -12.364 -18.827 48 2HB TYR 7 1HB TYR 7 -0.934 -12.132 -17.083 49 HD1 TYR 7 1HD TYR 7 -2.946 -11.570 -16.062 50 HD2 TYR 7 2HD TYR 7 -2.105 -10.069 -19.999 51 HE1 TYR 7 1HE TYR 7 -5.113 -10.363 -16.065 52 HE2 TYR 7 2HE TYR 7 -4.272 -8.863 -20.002 53 HH TYR 7 HH TYR 7 -5.924 -8.046 -17.545 54 H GLU 8 H GLU 8 -0.187 -10.677 -15.707 55 HA GLU 8 HA GLU 8 -1.266 -8.079 -15.251 56 1HB GLU 8 2HB GLU 8 -0.227 -10.289 -13.639 57 2HB GLU 8 1HB GLU 8 0.107 -8.712 -12.922 58 1HG GLU 8 2HG GLU 8 -2.464 -8.334 -13.685 59 2HG GLU 8 1HG GLU 8 -2.492 -10.071 -13.377 60 H LEU 9 H LEU 9 2.086 -9.243 -15.324 61 HA LEU 9 HA LEU 9 3.341 -6.898 -14.319 62 1HB LEU 9 2HB LEU 9 4.345 -9.232 -14.939 63 2HB LEU 9 1HB LEU 9 4.561 -8.524 -16.538 64 HG LEU 9 HG LEU 9 5.473 -6.555 -14.771 65 1HD1 LEU 9 1HD1 LEU 9 7.251 -8.631 -13.923 66 2HD1 LEU 9 2HD1 LEU 9 5.608 -9.099 -13.482 67 3HD1 LEU 9 3HD1 LEU 9 6.268 -7.561 -12.923 68 1HD2 LEU 9 1HD2 LEU 9 6.370 -8.070 -16.984 69 2HD2 LEU 9 2HD2 LEU 9 7.625 -8.216 -15.754 70 3HD2 LEU 9 3HD2 LEU 9 7.117 -6.621 -16.311 71 H TYR 10 H TYR 10 1.880 -7.577 -17.414 72 HA TYR 10 HA TYR 10 3.157 -5.325 -18.773 73 1HB TYR 10 2HB TYR 10 2.430 -7.299 -20.044 74 2HB TYR 10 1HB TYR 10 0.764 -7.017 -19.542 75 HD1 TYR 10 1HD TYR 10 -0.007 -6.794 -21.872 76 HD2 TYR 10 2HD TYR 10 3.000 -4.192 -20.247 77 HE1 TYR 10 1HE TYR 10 -0.320 -5.241 -23.779 78 HE2 TYR 10 2HE TYR 10 2.686 -2.639 -22.153 79 HH TYR 10 HH TYR 10 1.463 -3.333 -24.906 80 H GLN 11 H GLN 11 -0.148 -6.016 -17.584 81 HA GLN 11 HA GLN 11 -1.316 -3.530 -18.222 82 1HB GLN 11 2HB GLN 11 -1.829 -5.584 -16.095 83 2HB GLN 11 1HB GLN 11 -2.695 -4.049 -16.035 84 1HG GLN 11 2HG GLN 11 -2.938 -4.724 -18.687 85 2HG GLN 11 1HG GLN 11 -3.005 -6.303 -17.904 86 1HE2 GLN 11 1HE2 GLN 11 -5.354 -5.414 -19.101 87 2HE2 GLN 11 2HE2 GLN 11 -6.478 -4.950 -17.916 88 H VAL 12 H VAL 12 0.413 -4.475 -15.240 89 HA VAL 12 HA VAL 12 0.120 -1.957 -13.923 90 HB VAL 12 HB VAL 12 0.872 -4.110 -12.846 91 1HG1 VAL 12 1HG1 VAL 12 3.322 -4.596 -12.992 92 2HG1 VAL 12 2HG1 VAL 12 3.454 -3.382 -14.264 93 3HG1 VAL 12 3HG1 VAL 12 2.485 -4.832 -14.526 94 1HG2 VAL 12 1HG2 VAL 12 2.065 -1.428 -12.496 95 2HG2 VAL 12 2HG2 VAL 12 2.968 -2.739 -11.740 96 3HG2 VAL 12 3HG2 VAL 12 1.279 -2.472 -11.313 97 H GLU 13 H GLU 13 2.521 -3.151 -16.238 98 HA GLU 13 HA GLU 13 4.444 -1.091 -15.973 99 1HB GLU 13 2HB GLU 13 3.821 -3.168 -17.883 100 2HB GLU 13 1HB GLU 13 4.268 -1.686 -18.727 101 1HG GLU 13 2HG GLU 13 6.035 -2.020 -16.498 102 2HG GLU 13 1HG GLU 13 5.993 -3.531 -17.407 103 H LEU 14 H LEU 14 1.681 -1.228 -18.261 104 HA LEU 14 HA LEU 14 2.062 1.639 -18.854 105 1HB LEU 14 2HB LEU 14 0.308 1.314 -20.523 106 2HB LEU 14 1HB LEU 14 1.501 0.022 -20.668 107 HG LEU 14 HG LEU 14 -0.435 -0.817 -18.755 108 1HD1 LEU 14 1HD1 LEU 14 -1.713 1.029 -20.203 109 2HD1 LEU 14 2HD1 LEU 14 -2.506 -0.470 -19.719 110 3HD1 LEU 14 3HD1 LEU 14 -1.840 -0.309 -21.345 111 1HD2 LEU 14 1HD2 LEU 14 -0.906 -2.236 -21.087 112 2HD2 LEU 14 2HD2 LEU 14 0.332 -2.625 -19.892 113 3HD2 LEU 14 3HD2 LEU 14 0.747 -1.659 -21.308 114 H GLY 15 H GLY 15 1.127 0.634 -16.161 115 1HA GLY 15 2HA GLY 15 -1.640 1.124 -15.784 116 2HA GLY 15 1HA GLY 15 -0.411 1.351 -14.539 117 HA PRO 16 HA PRO 16 -0.790 5.701 -14.925 118 1HB PRO 16 2HB PRO 16 1.808 6.511 -14.532 119 2HB PRO 16 1HB PRO 16 0.770 5.892 -13.237 120 1HG PRO 16 2HG PRO 16 3.040 4.547 -14.625 121 2HG PRO 16 1HG PRO 16 2.399 4.271 -12.997 122 1HD PRO 16 2HD PRO 16 1.907 2.657 -15.274 123 2HD PRO 16 1HD PRO 16 1.032 2.583 -13.728 124 H GLY 17 H GLY 17 2.282 4.796 -16.558 125 1HA GLY 17 2HA GLY 17 2.837 5.108 -18.853 126 2HA GLY 17 1HA GLY 17 1.295 5.933 -19.086 127 HA PRO 18 HA PRO 18 4.747 9.061 -18.707 128 1HB PRO 18 2HB PRO 18 4.755 9.876 -21.331 129 2HB PRO 18 1HB PRO 18 5.790 8.582 -20.706 130 1HG PRO 18 2HG PRO 18 3.346 8.375 -22.402 131 2HG PRO 18 1HG PRO 18 4.716 7.261 -22.267 132 1HD PRO 18 2HD PRO 18 2.179 6.927 -21.052 133 2HD PRO 18 1HD PRO 18 3.647 5.999 -20.681 134 H SER 19 H SER 19 1.676 9.063 -20.476 135 HA SER 19 HA SER 19 -0.020 10.679 -20.604 136 1HB SER 19 2HB SER 19 1.322 11.829 -18.141 137 2HB SER 19 1HB SER 19 -0.346 12.077 -18.648 138 HG SER 19 HG SER 19 -0.226 9.563 -18.581 139 H GLY 20 H GLY 20 2.858 11.165 -21.649 140 1HA GLY 20 2HA GLY 20 4.024 12.910 -22.705 141 2HA GLY 20 1HA GLY 20 2.418 13.568 -23.020 142 H ASP 21 H ASP 21 3.813 13.078 -19.808 143 HA ASP 21 HA ASP 21 3.101 15.674 -18.890 144 1HB ASP 21 2HB ASP 21 4.688 13.406 -17.897 145 2HB ASP 21 1HB ASP 21 5.251 14.970 -17.306 146 H MET 22 H MET 22 6.503 14.622 -19.124 147 HA MET 22 HA MET 22 8.408 15.934 -19.589 148 1HB MET 22 2HB MET 22 6.618 16.854 -21.859 149 2HB MET 22 1HB MET 22 8.383 16.885 -21.834 150 1HG MET 22 2HG MET 22 6.697 14.374 -21.610 151 2HG MET 22 1HG MET 22 7.487 14.925 -23.086 152 1HE MET 22 1HE MET 22 8.287 12.591 -19.818 153 2HE MET 22 2HE MET 22 8.955 11.745 -21.212 154 3HE MET 22 3HE MET 22 7.353 12.470 -21.315 155 H ALA 23 H ALA 23 6.759 17.153 -17.647 156 HA ALA 23 HA ALA 23 7.647 19.893 -17.854 157 1HB ALA 23 1HB ALA 23 5.875 20.745 -18.967 158 2HB ALA 23 2HB ALA 23 4.925 20.406 -17.521 159 3HB ALA 23 3HB ALA 23 4.979 19.231 -18.837 160 H ALA 24 H ALA 24 4.947 18.076 -16.345 161 HA ALA 24 HA ALA 24 5.066 19.367 -13.830 162 1HB ALA 24 1HB ALA 24 4.317 16.805 -13.174 163 2HB ALA 24 2HB ALA 24 3.929 16.866 -14.894 164 3HB ALA 24 3HB ALA 24 3.220 18.042 -13.788 165 H LYS 25 H LYS 25 6.907 16.606 -15.078 166 HA LYS 25 HA LYS 25 8.287 16.246 -12.506 167 1HB LYS 25 2HB LYS 25 7.731 14.536 -14.565 168 2HB LYS 25 1HB LYS 25 9.405 14.962 -14.924 169 1HG LYS 25 2HG LYS 25 9.759 13.205 -13.460 170 2HG LYS 25 1HG LYS 25 9.702 14.544 -12.312 171 1HD LYS 25 2HD LYS 25 8.075 13.351 -11.278 172 2HD LYS 25 1HD LYS 25 7.035 13.903 -12.591 173 1HE LYS 25 2HE LYS 25 7.374 11.900 -13.839 174 2HE LYS 25 1HE LYS 25 8.722 11.404 -12.814 175 1HZ LYS 25 1HZ LYS 25 7.261 10.307 -11.585 176 2HZ LYS 25 2HZ LYS 25 5.952 10.941 -12.463 177 3HZ LYS 25 3HZ LYS 25 6.572 11.786 -11.126 178 H MET 26 H MET 26 8.738 17.997 -15.468 179 HA MET 26 HA MET 26 11.590 18.278 -15.385 180 1HB MET 26 2HB MET 26 9.517 20.217 -16.463 181 2HB MET 26 1HB MET 26 11.237 20.221 -16.852 182 1HG MET 26 2HG MET 26 9.740 17.671 -17.262 183 2HG MET 26 1HG MET 26 9.452 18.980 -18.410 184 1HE MET 26 1HE MET 26 11.465 19.566 -20.468 185 2HE MET 26 2HE MET 26 10.098 18.472 -20.269 186 3HE MET 26 3HE MET 26 11.626 17.856 -20.891 187 H SER 27 H SER 27 8.969 20.347 -14.101 188 HA SER 27 HA SER 27 10.854 22.166 -12.825 189 1HB SER 27 2HB SER 27 7.865 21.803 -12.478 190 2HB SER 27 1HB SER 27 8.803 23.100 -11.744 191 HG SER 27 HG SER 27 8.522 24.088 -13.571 192 H LYS 28 H LYS 28 8.661 19.592 -11.663 193 HA LYS 28 HA LYS 28 9.058 19.736 -8.930 194 1HB LYS 28 2HB LYS 28 8.222 17.725 -10.767 195 2HB LYS 28 1HB LYS 28 9.378 16.983 -9.661 196 1HG LYS 28 2HG LYS 28 7.413 18.782 -8.379 197 2HG LYS 28 1HG LYS 28 6.730 17.319 -9.088 198 1HD LYS 28 2HD LYS 28 7.362 16.291 -7.172 199 2HD LYS 28 1HD LYS 28 9.000 16.376 -7.819 200 1HE LYS 28 2HE LYS 28 9.579 18.185 -6.498 201 2HE LYS 28 1HE LYS 28 7.922 18.782 -6.406 202 1HZ LYS 28 1HZ LYS 28 8.548 16.191 -5.188 203 2HZ LYS 28 2HZ LYS 28 7.394 17.351 -4.731 204 3HZ LYS 28 3HZ LYS 28 9.038 17.599 -4.378 205 H LYS 29 H LYS 29 11.382 18.696 -11.362 206 HA LYS 29 HA LYS 29 13.284 17.593 -9.480 207 1HB LYS 29 2HB LYS 29 13.399 16.967 -11.834 208 2HB LYS 29 1HB LYS 29 13.652 18.650 -12.299 209 1HG LYS 29 2HG LYS 29 15.865 18.248 -12.118 210 2HG LYS 29 1HG LYS 29 15.617 18.176 -10.374 211 1HD LYS 29 2HD LYS 29 16.686 16.124 -10.931 212 2HD LYS 29 1HD LYS 29 14.983 15.715 -10.723 213 1HE LYS 29 2HE LYS 29 15.193 16.472 -13.407 214 2HE LYS 29 1HE LYS 29 16.642 15.512 -13.104 215 1HZ LYS 29 1HZ LYS 29 15.111 13.903 -13.617 216 2HZ LYS 29 2HZ LYS 29 13.816 14.732 -12.893 217 3HZ LYS 29 3HZ LYS 29 14.970 13.943 -11.927 218 H LYS 30 H LYS 30 13.803 20.475 -11.531 219 HA LYS 30 HA LYS 30 15.302 21.680 -9.259 220 1HB LYS 30 2HB LYS 30 15.481 21.819 -12.200 221 2HB LYS 30 1HB LYS 30 15.668 23.374 -11.390 222 1HG LYS 30 2HG LYS 30 17.205 21.769 -9.797 223 2HG LYS 30 1HG LYS 30 17.452 21.020 -11.377 224 1HD LYS 30 2HD LYS 30 19.069 22.636 -11.550 225 2HD LYS 30 1HD LYS 30 17.700 23.615 -12.078 226 1HE LYS 30 2HE LYS 30 17.876 23.545 -9.179 227 2HE LYS 30 1HE LYS 30 19.374 24.141 -9.893 228 1HZ LYS 30 1HZ LYS 30 17.917 25.976 -9.592 229 2HZ LYS 30 2HZ LYS 30 16.632 25.171 -10.358 230 3HZ LYS 30 3HZ LYS 30 17.989 25.660 -11.256 231 H ALA 31 H ALA 31 12.950 21.982 -8.387 232 HA ALA 31 HA ALA 31 11.728 24.445 -9.543 233 1HB ALA 31 1HB ALA 31 9.926 23.677 -7.702 234 2HB ALA 31 2HB ALA 31 10.684 22.113 -8.005 235 3HB ALA 31 3HB ALA 31 9.943 23.007 -9.333 236 H GLY 32 H GLY 32 13.084 23.065 -6.585 237 1HA GLY 32 2HA GLY 32 14.341 24.588 -5.095 238 2HA GLY 32 1HA GLY 32 13.140 25.830 -5.452 239 H ARG 33 H ARG 33 11.349 25.965 -4.147 240 HA ARG 33 HA ARG 33 10.835 23.692 -2.278 241 1HB ARG 33 2HB ARG 33 11.409 26.552 -1.663 242 2HB ARG 33 1HB ARG 33 10.153 25.763 -0.707 243 1HG ARG 33 2HG ARG 33 12.617 24.172 -1.097 244 2HG ARG 33 1HG ARG 33 12.810 25.624 -0.116 245 1HD ARG 33 2HD ARG 33 10.372 24.192 0.576 246 2HD ARG 33 1HD ARG 33 11.796 23.167 0.751 247 HE ARG 33 HE ARG 33 12.694 25.281 2.073 248 1HH1 ARG 33 1HH2 ARG 33 10.830 23.041 3.278 249 2HH1 ARG 33 2HH2 ARG 33 9.814 24.030 4.272 250 1HH2 ARG 33 1HH1 ARG 33 10.807 27.003 2.789 251 2HH2 ARG 33 2HH1 ARG 33 9.802 26.273 3.995 252 H GLY 34 H GLY 34 8.987 23.056 -3.472 253 1HA GLY 34 2HA GLY 34 6.652 23.073 -3.814 254 2HA GLY 34 1HA GLY 34 6.576 24.592 -2.920 Start of MODEL 12 1 1H MET 1 1HT MET 1 -6.132 -23.765 -19.703 2 2H MET 1 2HT MET 1 -4.569 -24.138 -19.153 3 3H MET 1 3HT MET 1 -4.814 -23.657 -20.764 4 HA MET 1 HA MET 1 -5.568 -21.467 -19.978 5 1HB MET 1 2HB MET 1 -4.954 -20.947 -17.576 6 2HB MET 1 1HB MET 1 -6.324 -22.041 -17.762 7 1HG MET 1 2HG MET 1 -5.017 -23.948 -17.212 8 2HG MET 1 1HG MET 1 -3.503 -23.068 -17.427 9 1HE MET 1 1HE MET 1 -2.450 -22.193 -14.223 10 2HE MET 1 2HE MET 1 -2.220 -22.728 -15.887 11 3HE MET 1 3HE MET 1 -2.695 -23.892 -14.652 12 H GLY 2 H GLY 2 -3.772 -19.858 -18.968 13 1HA GLY 2 2HA GLY 2 -1.076 -20.451 -18.763 14 2HA GLY 2 1HA GLY 2 -1.356 -20.391 -20.503 15 H LYS 3 H LYS 3 0.346 -18.520 -19.478 16 HA LYS 3 HA LYS 3 0.721 -16.218 -19.566 17 1HB LYS 3 2HB LYS 3 -2.183 -15.877 -20.281 18 2HB LYS 3 1HB LYS 3 -0.818 -14.850 -20.716 19 1HG LYS 3 2HG LYS 3 -1.257 -17.690 -21.688 20 2HG LYS 3 1HG LYS 3 -1.535 -16.230 -22.638 21 1HD LYS 3 2HD LYS 3 1.141 -16.889 -21.387 22 2HD LYS 3 1HD LYS 3 0.707 -17.362 -23.031 23 1HE LYS 3 2HE LYS 3 0.003 -14.710 -23.020 24 2HE LYS 3 1HE LYS 3 1.417 -14.705 -21.966 25 1HZ LYS 3 1HZ LYS 3 1.495 -16.178 -24.510 26 2HZ LYS 3 2HZ LYS 3 2.774 -15.498 -23.623 27 3HZ LYS 3 3HZ LYS 3 1.725 -14.497 -24.509 28 H ALA 4 H ALA 4 0.981 -15.285 -17.639 29 HA ALA 4 HA ALA 4 -1.240 -14.234 -16.119 30 1HB ALA 4 1HB ALA 4 -0.249 -16.917 -15.471 31 2HB ALA 4 2HB ALA 4 -1.718 -16.102 -14.933 32 3HB ALA 4 3HB ALA 4 -0.193 -15.812 -14.097 33 H GLU 5 H GLU 5 2.175 -15.162 -16.203 34 HA GLU 5 HA GLU 5 2.963 -13.345 -14.084 35 1HB GLU 5 2HB GLU 5 4.430 -15.184 -14.542 36 2HB GLU 5 1HB GLU 5 4.512 -14.776 -16.256 37 1HG GLU 5 2HG GLU 5 6.061 -13.137 -15.923 38 2HG GLU 5 1HG GLU 5 5.317 -12.606 -14.414 39 H ASN 6 H ASN 6 3.838 -13.211 -17.559 40 HA ASN 6 HA ASN 6 4.443 -10.401 -17.456 41 1HB ASN 6 2HB ASN 6 4.131 -12.457 -19.596 42 2HB ASN 6 1HB ASN 6 4.027 -10.763 -20.079 43 1HD2 ASN 6 1HD2 ASN 6 5.948 -9.414 -19.785 44 2HD2 ASN 6 2HD2 ASN 6 7.472 -10.103 -19.490 45 H TYR 7 H TYR 7 1.496 -12.195 -17.914 46 HA TYR 7 HA TYR 7 -0.083 -10.291 -19.289 47 1HB TYR 7 2HB TYR 7 -1.005 -12.465 -18.923 48 2HB TYR 7 1HB TYR 7 -0.782 -12.340 -17.179 49 HD1 TYR 7 1HD TYR 7 -2.788 -12.105 -16.033 50 HD2 TYR 7 2HD TYR 7 -2.306 -10.147 -19.825 51 HE1 TYR 7 1HE TYR 7 -5.050 -11.114 -15.808 52 HE2 TYR 7 2HE TYR 7 -4.569 -9.156 -19.601 53 HH TYR 7 HH TYR 7 -6.110 -8.595 -17.329 54 H GLU 8 H GLU 8 -0.189 -10.821 -15.745 55 HA GLU 8 HA GLU 8 -1.443 -8.301 -15.214 56 1HB GLU 8 2HB GLU 8 -0.151 -10.446 -13.613 57 2HB GLU 8 1HB GLU 8 -0.222 -8.854 -12.858 58 1HG GLU 8 2HG GLU 8 -2.747 -9.093 -13.929 59 2HG GLU 8 1HG GLU 8 -2.395 -10.750 -13.434 60 H LEU 9 H LEU 9 1.960 -9.318 -15.227 61 HA LEU 9 HA LEU 9 3.034 -6.871 -14.199 62 1HB LEU 9 2HB LEU 9 4.160 -9.216 -14.659 63 2HB LEU 9 1HB LEU 9 4.531 -8.498 -16.227 64 HG LEU 9 HG LEU 9 5.102 -6.566 -14.190 65 1HD1 LEU 9 1HD1 LEU 9 5.279 -8.583 -12.714 66 2HD1 LEU 9 2HD1 LEU 9 6.814 -7.737 -12.912 67 3HD1 LEU 9 3HD1 LEU 9 6.507 -9.227 -13.803 68 1HD2 LEU 9 1HD2 LEU 9 6.919 -6.258 -15.526 69 2HD2 LEU 9 2HD2 LEU 9 6.113 -7.393 -16.609 70 3HD2 LEU 9 3HD2 LEU 9 7.348 -7.968 -15.488 71 H TYR 10 H TYR 10 1.472 -7.532 -17.136 72 HA TYR 10 HA TYR 10 2.934 -5.515 -18.698 73 1HB TYR 10 2HB TYR 10 2.088 -7.423 -19.915 74 2HB TYR 10 1HB TYR 10 0.463 -7.163 -19.281 75 HD1 TYR 10 1HD TYR 10 3.088 -4.988 -20.859 76 HD2 TYR 10 2HD TYR 10 -1.003 -6.298 -20.869 77 HE1 TYR 10 1HE TYR 10 2.598 -3.446 -22.740 78 HE2 TYR 10 2HE TYR 10 -1.492 -4.757 -22.750 79 HH TYR 10 HH TYR 10 -0.455 -3.531 -24.438 80 H GLN 11 H GLN 11 -0.497 -5.892 -17.724 81 HA GLN 11 HA GLN 11 -1.301 -3.265 -18.367 82 1HB GLN 11 2HB GLN 11 -3.001 -3.692 -16.415 83 2HB GLN 11 1HB GLN 11 -3.075 -4.698 -17.862 84 1HG GLN 11 2HG GLN 11 -2.177 -6.546 -16.795 85 2HG GLN 11 1HG GLN 11 -1.288 -5.569 -15.626 86 1HE2 GLN 11 1HE2 GLN 11 -2.640 -4.482 -13.893 87 2HE2 GLN 11 2HE2 GLN 11 -4.085 -5.225 -13.403 88 H VAL 12 H VAL 12 0.645 -4.388 -15.719 89 HA VAL 12 HA VAL 12 0.211 -1.924 -14.156 90 HB VAL 12 HB VAL 12 0.587 -4.224 -13.118 91 1HG1 VAL 12 1HG1 VAL 12 3.490 -3.655 -13.743 92 2HG1 VAL 12 2HG1 VAL 12 2.504 -4.712 -14.753 93 3HG1 VAL 12 3HG1 VAL 12 2.793 -5.125 -13.063 94 1HG2 VAL 12 1HG2 VAL 12 1.667 -1.627 -12.405 95 2HG2 VAL 12 2HG2 VAL 12 2.677 -2.918 -11.754 96 3HG2 VAL 12 3HG2 VAL 12 0.959 -2.858 -11.360 97 H GLU 13 H GLU 13 2.592 -3.314 -16.341 98 HA GLU 13 HA GLU 13 4.715 -1.466 -15.757 99 1HB GLU 13 2HB GLU 13 5.135 -3.542 -16.985 100 2HB GLU 13 1HB GLU 13 4.091 -3.002 -18.299 101 1HG GLU 13 2HG GLU 13 5.639 -1.506 -19.100 102 2HG GLU 13 1HG GLU 13 6.298 -1.168 -17.499 103 H LEU 14 H LEU 14 1.856 -1.279 -17.788 104 HA LEU 14 HA LEU 14 2.491 0.800 -19.537 105 1HB LEU 14 2HB LEU 14 -0.119 0.816 -18.024 106 2HB LEU 14 1HB LEU 14 0.179 1.240 -19.710 107 HG LEU 14 HG LEU 14 0.138 -1.510 -18.456 108 1HD1 LEU 14 1HD1 LEU 14 -1.137 -1.260 -21.011 109 2HD1 LEU 14 2HD1 LEU 14 -1.681 0.065 -19.981 110 3HD1 LEU 14 3HD1 LEU 14 -1.876 -1.606 -19.448 111 1HD2 LEU 14 1HD2 LEU 14 1.661 -0.511 -20.797 112 2HD2 LEU 14 2HD2 LEU 14 0.723 -1.977 -21.076 113 3HD2 LEU 14 3HD2 LEU 14 1.941 -1.939 -19.801 114 H GLY 15 H GLY 15 2.052 0.939 -16.069 115 1HA GLY 15 2HA GLY 15 1.652 3.757 -15.802 116 2HA GLY 15 1HA GLY 15 2.337 2.713 -14.556 117 HA PRO 16 HA PRO 16 5.648 5.282 -16.832 118 1HB PRO 16 2HB PRO 16 5.454 7.718 -15.571 119 2HB PRO 16 1HB PRO 16 4.635 7.338 -17.095 120 1HG PRO 16 2HG PRO 16 3.485 7.570 -14.354 121 2HG PRO 16 1HG PRO 16 2.703 7.823 -15.922 122 1HD PRO 16 2HD PRO 16 2.452 5.518 -14.301 123 2HD PRO 16 1HD PRO 16 1.961 5.654 -16.003 124 H GLY 17 H GLY 17 5.178 6.850 -13.691 125 1HA GLY 17 2HA GLY 17 7.106 5.033 -12.386 126 2HA GLY 17 1HA GLY 17 7.625 6.707 -12.576 127 HA PRO 18 HA PRO 18 5.374 6.691 -8.623 128 1HB PRO 18 2HB PRO 18 7.123 8.428 -7.408 129 2HB PRO 18 1HB PRO 18 7.365 6.673 -7.461 130 1HG PRO 18 2HG PRO 18 8.759 8.805 -9.006 131 2HG PRO 18 1HG PRO 18 9.333 7.192 -8.553 132 1HD PRO 18 2HD PRO 18 8.357 7.957 -11.102 133 2HD PRO 18 1HD PRO 18 8.639 6.293 -10.544 134 H SER 19 H SER 19 3.938 7.975 -10.311 135 HA SER 19 HA SER 19 3.489 10.629 -9.196 136 1HB SER 19 2HB SER 19 4.825 10.276 -11.838 137 2HB SER 19 1HB SER 19 3.581 11.518 -11.724 138 HG SER 19 HG SER 19 5.624 12.342 -11.162 139 H GLY 20 H GLY 20 1.758 8.571 -9.109 140 1HA GLY 20 2HA GLY 20 -0.653 9.449 -10.091 141 2HA GLY 20 1HA GLY 20 -0.002 8.520 -11.444 142 H ASP 21 H ASP 21 1.409 6.636 -9.644 143 HA ASP 21 HA ASP 21 -0.989 5.077 -8.777 144 1HB ASP 21 2HB ASP 21 1.329 4.391 -10.344 145 2HB ASP 21 1HB ASP 21 1.298 3.404 -8.882 146 H MET 22 H MET 22 -0.261 6.894 -6.924 147 HA MET 22 HA MET 22 1.771 5.820 -5.109 148 1HB MET 22 2HB MET 22 1.469 8.228 -5.193 149 2HB MET 22 1HB MET 22 -0.243 8.066 -4.807 150 1HG MET 22 2HG MET 22 0.918 8.665 -2.772 151 2HG MET 22 1HG MET 22 0.428 6.975 -2.637 152 1HE MET 22 1HE MET 22 3.597 6.618 -0.731 153 2HE MET 22 2HE MET 22 2.273 5.569 -1.230 154 3HE MET 22 3HE MET 22 1.930 7.209 -0.687 155 H ALA 23 H ALA 23 -1.370 6.864 -3.918 156 HA ALA 23 HA ALA 23 -1.555 4.561 -2.173 157 1HB ALA 23 1HB ALA 23 -3.842 5.493 -1.664 158 2HB ALA 23 2HB ALA 23 -3.552 6.728 -2.891 159 3HB ALA 23 3HB ALA 23 -2.533 6.657 -1.452 160 H ALA 24 H ALA 24 -2.419 5.129 -5.433 161 HA ALA 24 HA ALA 24 -4.735 3.513 -5.726 162 1HB ALA 24 1HB ALA 24 -4.342 3.637 -8.009 163 2HB ALA 24 2HB ALA 24 -2.599 3.441 -7.824 164 3HB ALA 24 3HB ALA 24 -3.356 4.989 -7.453 165 H LYS 25 H LYS 25 -1.287 2.598 -6.036 166 HA LYS 25 HA LYS 25 -1.661 -0.149 -6.541 167 1HB LYS 25 2HB LYS 25 0.507 1.536 -5.443 168 2HB LYS 25 1HB LYS 25 0.576 -0.162 -4.969 169 1HG LYS 25 2HG LYS 25 0.140 0.655 -7.843 170 2HG LYS 25 1HG LYS 25 1.761 0.493 -7.166 171 1HD LYS 25 2HD LYS 25 0.850 -1.838 -6.327 172 2HD LYS 25 1HD LYS 25 -0.312 -1.622 -7.637 173 1HE LYS 25 2HE LYS 25 1.428 -1.469 -9.276 174 2HE LYS 25 1HE LYS 25 2.673 -1.335 -8.035 175 1HZ LYS 25 1HZ LYS 25 0.915 -3.702 -8.355 176 2HZ LYS 25 2HZ LYS 25 2.284 -3.562 -7.356 177 3HZ LYS 25 3HZ LYS 25 2.459 -3.580 -9.047 178 H MET 26 H MET 26 -1.889 1.650 -3.525 179 HA MET 26 HA MET 26 -1.951 -0.692 -1.814 180 1HB MET 26 2HB MET 26 -2.469 2.229 -1.503 181 2HB MET 26 1HB MET 26 -3.195 1.152 -0.310 182 1HG MET 26 2HG MET 26 -0.460 0.368 -0.828 183 2HG MET 26 1HG MET 26 -0.530 2.068 -0.368 184 1HE MET 26 1HE MET 26 0.308 -0.760 2.461 185 2HE MET 26 2HE MET 26 0.974 0.826 2.077 186 3HE MET 26 3HE MET 26 0.773 -0.369 0.800 187 H SER 27 H SER 27 -4.365 1.217 -3.540 188 HA SER 27 HA SER 27 -6.636 -0.066 -2.251 189 1HB SER 27 2HB SER 27 -6.668 2.210 -3.382 190 2HB SER 27 1HB SER 27 -6.605 1.361 -4.923 191 HG SER 27 HG SER 27 -8.746 1.713 -4.398 192 H LYS 28 H LYS 28 -4.417 -1.035 -4.639 193 HA LYS 28 HA LYS 28 -6.287 -2.781 -6.084 194 1HB LYS 28 2HB LYS 28 -3.392 -2.091 -6.270 195 2HB LYS 28 1HB LYS 28 -3.883 -3.669 -6.888 196 1HG LYS 28 2HG LYS 28 -5.248 -1.078 -7.660 197 2HG LYS 28 1HG LYS 28 -3.953 -1.813 -8.603 198 1HD LYS 28 2HD LYS 28 -6.181 -3.620 -7.853 199 2HD LYS 28 1HD LYS 28 -6.578 -2.356 -9.017 200 1HE LYS 28 2HE LYS 28 -5.070 -3.156 -10.605 201 2HE LYS 28 1HE LYS 28 -4.071 -3.962 -9.396 202 1HZ LYS 28 1HZ LYS 28 -6.057 -5.094 -10.938 203 2HZ LYS 28 2HZ LYS 28 -6.702 -5.007 -9.369 204 3HZ LYS 28 3HZ LYS 28 -5.233 -5.814 -9.643 205 H LYS 29 H LYS 29 -3.454 -3.288 -3.946 206 HA LYS 29 HA LYS 29 -3.726 -6.108 -3.730 207 1HB LYS 29 2HB LYS 29 -2.121 -4.077 -2.551 208 2HB LYS 29 1HB LYS 29 -2.814 -5.021 -1.232 209 1HG LYS 29 2HG LYS 29 -0.896 -6.256 -1.742 210 2HG LYS 29 1HG LYS 29 -2.123 -7.080 -2.704 211 1HD LYS 29 2HD LYS 29 -1.452 -5.934 -4.702 212 2HD LYS 29 1HD LYS 29 -0.419 -4.830 -3.793 213 1HE LYS 29 2HE LYS 29 0.214 -7.659 -3.331 214 2HE LYS 29 1HE LYS 29 0.434 -7.157 -5.007 215 1HZ LYS 29 1HZ LYS 29 1.426 -5.163 -3.284 216 2HZ LYS 29 2HZ LYS 29 2.265 -6.081 -4.442 217 3HZ LYS 29 3HZ LYS 29 2.108 -6.654 -2.850 218 H LYS 30 H LYS 30 -4.385 -4.017 -0.930 219 HA LYS 30 HA LYS 30 -7.154 -4.739 -0.675 220 1HB LYS 30 2HB LYS 30 -7.048 -6.367 1.102 221 2HB LYS 30 1HB LYS 30 -6.044 -6.964 -0.220 222 1HG LYS 30 2HG LYS 30 -4.201 -6.935 1.076 223 2HG LYS 30 1HG LYS 30 -4.497 -5.262 1.551 224 1HD LYS 30 2HD LYS 30 -5.925 -5.920 3.348 225 2HD LYS 30 1HD LYS 30 -6.022 -7.578 2.756 226 1HE LYS 30 2HE LYS 30 -4.436 -7.821 4.435 227 2HE LYS 30 1HE LYS 30 -3.394 -7.502 3.046 228 1HZ LYS 30 1HZ LYS 30 -2.738 -5.580 3.914 229 2HZ LYS 30 2HZ LYS 30 -3.452 -6.079 5.372 230 3HZ LYS 30 3HZ LYS 30 -4.321 -5.100 4.289 231 H ALA 31 H ALA 31 -5.772 -2.334 -0.448 232 HA ALA 31 HA ALA 31 -4.956 -1.567 2.148 233 1HB ALA 31 1HB ALA 31 -5.965 0.739 1.351 234 2HB ALA 31 2HB ALA 31 -6.140 -0.104 -0.189 235 3HB ALA 31 3HB ALA 31 -4.545 0.070 0.545 236 H GLY 32 H GLY 32 -8.191 -1.019 0.697 237 1HA GLY 32 2HA GLY 32 -9.287 -1.022 3.480 238 2HA GLY 32 1HA GLY 32 -10.019 -0.153 2.130 239 H ARG 33 H ARG 33 -8.778 -3.262 1.370 240 HA ARG 33 HA ARG 33 -9.846 -5.280 0.830 241 1HB ARG 33 2HB ARG 33 -10.647 -4.810 3.323 242 2HB ARG 33 1HB ARG 33 -12.203 -4.564 2.531 243 1HG ARG 33 2HG ARG 33 -12.342 -6.839 2.829 244 2HG ARG 33 1HG ARG 33 -11.470 -6.834 1.294 245 1HD ARG 33 2HD ARG 33 -9.318 -6.839 2.640 246 2HD ARG 33 1HD ARG 33 -10.304 -7.141 4.070 247 HE ARG 33 HE ARG 33 -9.470 -9.177 2.378 248 1HH1 ARG 33 1HH1 ARG 33 -11.452 -9.358 4.745 249 2HH1 ARG 33 2HH1 ARG 33 -12.785 -10.151 3.974 250 1HH2 ARG 33 1HH2 ARG 33 -11.637 -9.533 0.760 251 2HH2 ARG 33 2HH2 ARG 33 -12.890 -10.249 1.717 252 H GLY 34 H GLY 34 -10.362 -4.840 -1.328 253 1HA GLY 34 2HA GLY 34 -13.072 -3.659 -1.797 254 2HA GLY 34 1HA GLY 34 -11.727 -3.465 -2.925 Start of MODEL 13 1 1H MET 1 1HT MET 1 -5.756 -22.009 -15.472 2 2H MET 1 2HT MET 1 -5.533 -22.872 -16.920 3 3H MET 1 3HT MET 1 -4.546 -21.535 -16.562 4 HA MET 1 HA MET 1 -4.269 -23.237 -14.409 5 1HB MET 1 2HB MET 1 -5.108 -24.718 -16.657 6 2HB MET 1 1HB MET 1 -3.365 -24.962 -16.549 7 1HG MET 1 2HG MET 1 -3.978 -25.235 -13.949 8 2HG MET 1 1HG MET 1 -5.512 -25.759 -14.645 9 1HE MET 1 1HE MET 1 -3.733 -27.372 -12.839 10 2HE MET 1 2HE MET 1 -3.467 -28.953 -13.573 11 3HE MET 1 3HE MET 1 -5.089 -28.263 -13.547 12 H GLY 2 H GLY 2 -3.164 -20.869 -15.456 13 1HA GLY 2 2HA GLY 2 -0.368 -21.771 -16.006 14 2HA GLY 2 1HA GLY 2 -1.067 -20.401 -16.868 15 H LYS 3 H LYS 3 0.397 -18.864 -16.029 16 HA LYS 3 HA LYS 3 0.095 -18.337 -13.099 17 1HB LYS 3 2HB LYS 3 2.489 -18.641 -14.751 18 2HB LYS 3 1HB LYS 3 2.470 -17.114 -13.866 19 1HG LYS 3 2HG LYS 3 3.507 -18.772 -12.445 20 2HG LYS 3 1HG LYS 3 1.911 -18.415 -11.782 21 1HD LYS 3 2HD LYS 3 0.982 -20.427 -12.672 22 2HD LYS 3 1HD LYS 3 2.393 -20.708 -13.694 23 1HE LYS 3 2HE LYS 3 2.819 -22.159 -11.919 24 2HE LYS 3 1HE LYS 3 3.689 -20.716 -11.403 25 1HZ LYS 3 1HZ LYS 3 2.417 -20.641 -9.613 26 2HZ LYS 3 2HZ LYS 3 1.555 -22.012 -10.129 27 3HZ LYS 3 3HZ LYS 3 1.036 -20.459 -10.581 28 H ALA 4 H ALA 4 0.193 -17.031 -16.351 29 HA ALA 4 HA ALA 4 -0.429 -14.920 -17.169 30 1HB ALA 4 1HB ALA 4 -1.691 -13.810 -14.840 31 2HB ALA 4 2HB ALA 4 -2.147 -15.508 -14.975 32 3HB ALA 4 3HB ALA 4 -2.449 -14.405 -16.318 33 H GLU 5 H GLU 5 2.121 -15.266 -15.755 34 HA GLU 5 HA GLU 5 2.634 -13.059 -13.999 35 1HB GLU 5 2HB GLU 5 4.074 -15.202 -14.645 36 2HB GLU 5 1HB GLU 5 4.784 -14.087 -15.810 37 1HG GLU 5 2HG GLU 5 5.737 -12.770 -14.183 38 2HG GLU 5 1HG GLU 5 4.455 -13.102 -13.016 39 H ASN 6 H ASN 6 3.953 -13.360 -17.315 40 HA ASN 6 HA ASN 6 4.467 -10.606 -17.655 41 1HB ASN 6 2HB ASN 6 3.732 -12.677 -19.747 42 2HB ASN 6 1HB ASN 6 4.429 -11.096 -20.100 43 1HD2 ASN 6 1HD2 ASN 6 5.614 -13.867 -20.499 44 2HD2 ASN 6 2HD2 ASN 6 7.090 -13.832 -19.663 45 H TYR 7 H TYR 7 1.471 -12.306 -17.660 46 HA TYR 7 HA TYR 7 -0.087 -10.573 -19.315 47 1HB TYR 7 2HB TYR 7 -1.075 -12.644 -18.700 48 2HB TYR 7 1HB TYR 7 -0.772 -12.369 -16.986 49 HD1 TYR 7 1HD TYR 7 -2.486 -11.511 -15.648 50 HD2 TYR 7 2HD TYR 7 -2.591 -10.843 -19.891 51 HE1 TYR 7 1HE TYR 7 -4.712 -10.441 -15.424 52 HE2 TYR 7 2HE TYR 7 -4.817 -9.773 -19.667 53 HH TYR 7 HH TYR 7 -6.810 -10.082 -17.675 54 H GLU 8 H GLU 8 -0.528 -10.695 -15.785 55 HA GLU 8 HA GLU 8 -1.513 -8.044 -15.584 56 1HB GLU 8 2HB GLU 8 -1.349 -10.102 -13.853 57 2HB GLU 8 1HB GLU 8 0.006 -9.136 -13.268 58 1HG GLU 8 2HG GLU 8 -2.552 -7.712 -13.852 59 2HG GLU 8 1HG GLU 8 -2.487 -8.713 -12.402 60 H LEU 9 H LEU 9 1.797 -9.294 -15.156 61 HA LEU 9 HA LEU 9 3.138 -7.061 -14.230 62 1HB LEU 9 2HB LEU 9 3.882 -9.172 -16.228 63 2HB LEU 9 1HB LEU 9 4.978 -7.813 -15.969 64 HG LEU 9 HG LEU 9 3.863 -9.381 -13.647 65 1HD1 LEU 9 1HD1 LEU 9 4.944 -11.144 -14.697 66 2HD1 LEU 9 2HD1 LEU 9 6.296 -10.433 -13.815 67 3HD1 LEU 9 3HD1 LEU 9 6.081 -10.087 -15.531 68 1HD2 LEU 9 1HD2 LEU 9 5.620 -7.131 -14.024 69 2HD2 LEU 9 2HD2 LEU 9 6.522 -8.453 -13.281 70 3HD2 LEU 9 3HD2 LEU 9 5.056 -7.843 -12.512 71 H TYR 10 H TYR 10 2.198 -7.660 -17.625 72 HA TYR 10 HA TYR 10 3.258 -5.170 -18.606 73 1HB TYR 10 2HB TYR 10 2.680 -7.152 -20.035 74 2HB TYR 10 1HB TYR 10 0.977 -6.791 -19.762 75 HD1 TYR 10 1HD TYR 10 3.877 -4.490 -20.316 76 HD2 TYR 10 2HD TYR 10 0.136 -5.989 -21.802 77 HE1 TYR 10 1HE TYR 10 3.934 -2.817 -22.147 78 HE2 TYR 10 2HE TYR 10 0.191 -4.317 -23.632 79 HH TYR 10 HH TYR 10 2.254 -1.666 -23.637 80 H GLN 11 H GLN 11 0.100 -6.136 -17.326 81 HA GLN 11 HA GLN 11 -1.304 -3.735 -17.999 82 1HB GLN 11 2HB GLN 11 -1.691 -5.798 -15.821 83 2HB GLN 11 1HB GLN 11 -2.777 -4.422 -16.014 84 1HG GLN 11 2HG GLN 11 -2.631 -5.343 -18.586 85 2HG GLN 11 1HG GLN 11 -2.504 -6.848 -17.673 86 1HE2 GLN 11 1HE2 GLN 11 -4.241 -7.089 -15.868 87 2HE2 GLN 11 2HE2 GLN 11 -5.795 -6.501 -16.217 88 H VAL 12 H VAL 12 1.001 -4.472 -15.480 89 HA VAL 12 HA VAL 12 0.298 -2.041 -13.957 90 HB VAL 12 HB VAL 12 0.982 -4.140 -12.785 91 1HG1 VAL 12 1HG1 VAL 12 2.638 -5.219 -13.955 92 2HG1 VAL 12 2HG1 VAL 12 3.670 -4.283 -12.874 93 3HG1 VAL 12 3HG1 VAL 12 3.368 -3.715 -14.516 94 1HG2 VAL 12 1HG2 VAL 12 1.514 -2.629 -11.196 95 2HG2 VAL 12 2HG2 VAL 12 2.043 -1.466 -12.412 96 3HG2 VAL 12 3HG2 VAL 12 3.171 -2.672 -11.797 97 H GLU 13 H GLU 13 2.417 -2.974 -16.500 98 HA GLU 13 HA GLU 13 4.427 -0.915 -15.975 99 1HB GLU 13 2HB GLU 13 4.715 -3.141 -17.296 100 2HB GLU 13 1HB GLU 13 3.995 -2.252 -18.640 101 1HG GLU 13 2HG GLU 13 5.805 -0.848 -18.865 102 2HG GLU 13 1HG GLU 13 6.201 -0.911 -17.147 103 H LEU 14 H LEU 14 1.313 -1.000 -17.391 104 HA LEU 14 HA LEU 14 1.646 1.093 -19.345 105 1HB LEU 14 2HB LEU 14 -0.919 0.528 -17.858 106 2HB LEU 14 1HB LEU 14 -0.716 1.082 -19.520 107 HG LEU 14 HG LEU 14 -0.120 -1.664 -18.398 108 1HD1 LEU 14 1HD1 LEU 14 -2.108 -0.444 -20.265 109 2HD1 LEU 14 2HD1 LEU 14 -2.325 -1.731 -19.077 110 3HD1 LEU 14 3HD1 LEU 14 -1.546 -2.078 -20.623 111 1HD2 LEU 14 1HD2 LEU 14 1.086 -0.223 -20.663 112 2HD2 LEU 14 2HD2 LEU 14 0.392 -1.782 -21.108 113 3HD2 LEU 14 3HD2 LEU 14 1.627 -1.694 -19.853 114 H GLY 15 H GLY 15 1.836 1.170 -15.987 115 1HA GLY 15 2HA GLY 15 0.772 3.935 -15.789 116 2HA GLY 15 1HA GLY 15 1.253 2.924 -14.427 117 HA PRO 16 HA PRO 16 5.046 5.172 -14.476 118 1HB PRO 16 2HB PRO 16 6.416 3.556 -12.724 119 2HB PRO 16 1HB PRO 16 5.177 4.717 -12.220 120 1HG PRO 16 2HG PRO 16 5.005 1.744 -12.398 121 2HG PRO 16 1HG PRO 16 4.097 2.860 -11.365 122 1HD PRO 16 2HD PRO 16 3.141 1.641 -13.736 123 2HD PRO 16 1HD PRO 16 2.375 2.991 -12.872 124 H GLY 17 H GLY 17 6.418 2.010 -13.836 125 1HA GLY 17 2HA GLY 17 7.097 0.654 -15.958 126 2HA GLY 17 1HA GLY 17 7.854 2.172 -16.445 127 HA PRO 18 HA PRO 18 10.262 0.373 -12.681 128 1HB PRO 18 2HB PRO 18 9.902 -2.327 -12.306 129 2HB PRO 18 1HB PRO 18 8.945 -1.088 -11.477 130 1HG PRO 18 2HG PRO 18 8.155 -2.873 -13.732 131 2HG PRO 18 1HG PRO 18 7.140 -2.107 -12.499 132 1HD PRO 18 2HD PRO 18 7.453 -1.228 -15.174 133 2HD PRO 18 1HD PRO 18 6.707 -0.308 -13.850 134 H SER 19 H SER 19 10.000 -0.566 -15.850 135 HA SER 19 HA SER 19 12.199 -2.477 -15.984 136 1HB SER 19 2HB SER 19 11.352 -0.851 -18.350 137 2HB SER 19 1HB SER 19 11.780 -2.557 -18.264 138 HG SER 19 HG SER 19 9.372 -1.450 -18.166 139 H GLY 20 H GLY 20 14.108 -1.609 -15.188 140 1HA GLY 20 2HA GLY 20 16.122 -0.440 -16.176 141 2HA GLY 20 1HA GLY 20 15.046 0.924 -16.483 142 H ASP 21 H ASP 21 16.635 -0.938 -13.935 143 HA ASP 21 HA ASP 21 16.536 1.482 -12.223 144 1HB ASP 21 2HB ASP 21 14.595 0.045 -11.572 145 2HB ASP 21 1HB ASP 21 15.724 -1.266 -11.224 146 H MET 22 H MET 22 18.559 -0.185 -13.777 147 HA MET 22 HA MET 22 20.252 -1.293 -11.634 148 1HB MET 22 2HB MET 22 20.957 -0.928 -14.556 149 2HB MET 22 1HB MET 22 21.701 -2.033 -13.400 150 1HG MET 22 2HG MET 22 19.903 -3.502 -13.436 151 2HG MET 22 1HG MET 22 18.754 -2.246 -13.893 152 1HE MET 22 1HE MET 22 17.749 -4.069 -15.769 153 2HE MET 22 2HE MET 22 18.918 -5.080 -14.926 154 3HE MET 22 3HE MET 22 18.892 -5.057 -16.688 155 H ALA 23 H ALA 23 19.617 1.763 -12.703 156 HA ALA 23 HA ALA 23 22.394 2.750 -12.665 157 1HB ALA 23 1HB ALA 23 20.500 4.881 -12.512 158 2HB ALA 23 2HB ALA 23 19.888 3.698 -13.668 159 3HB ALA 23 3HB ALA 23 21.488 4.404 -13.892 160 H ALA 24 H ALA 24 19.566 2.636 -10.565 161 HA ALA 24 HA ALA 24 20.692 4.439 -8.575 162 1HB ALA 24 1HB ALA 24 18.680 2.520 -7.629 163 2HB ALA 24 2HB ALA 24 18.174 3.412 -9.064 164 3HB ALA 24 3HB ALA 24 18.648 4.282 -7.606 165 H LYS 25 H LYS 25 20.038 0.912 -8.535 166 HA LYS 25 HA LYS 25 21.396 0.296 -6.159 167 1HB LYS 25 2HB LYS 25 20.838 -1.218 -8.682 168 2HB LYS 25 1HB LYS 25 21.950 -1.925 -7.509 169 1HG LYS 25 2HG LYS 25 19.674 -0.885 -6.105 170 2HG LYS 25 1HG LYS 25 19.104 -1.910 -7.423 171 1HD LYS 25 2HD LYS 25 21.172 -3.412 -6.462 172 2HD LYS 25 1HD LYS 25 20.602 -2.640 -4.981 173 1HE LYS 25 2HE LYS 25 18.592 -3.733 -5.021 174 2HE LYS 25 1HE LYS 25 18.500 -3.712 -6.783 175 1HZ LYS 25 1HZ LYS 25 18.887 -5.942 -5.682 176 2HZ LYS 25 2HZ LYS 25 20.458 -5.393 -5.333 177 3HZ LYS 25 3HZ LYS 25 19.940 -5.529 -6.946 178 H MET 26 H MET 26 22.704 0.988 -9.353 179 HA MET 26 HA MET 26 25.386 0.076 -8.799 180 1HB MET 26 2HB MET 26 24.120 1.861 -10.857 181 2HB MET 26 1HB MET 26 25.877 1.824 -10.711 182 1HG MET 26 2HG MET 26 24.519 -0.816 -10.738 183 2HG MET 26 1HG MET 26 24.489 0.084 -12.254 184 1HE MET 26 1HE MET 26 26.164 -1.459 -13.751 185 2HE MET 26 2HE MET 26 25.546 -2.435 -12.423 186 3HE MET 26 3HE MET 26 27.256 -2.508 -12.835 187 H SER 27 H SER 27 23.832 3.290 -8.650 188 HA SER 27 HA SER 27 26.127 4.753 -7.839 189 1HB SER 27 2HB SER 27 23.276 5.200 -7.996 190 2HB SER 27 1HB SER 27 23.912 5.881 -6.502 191 HG SER 27 HG SER 27 24.809 6.347 -9.155 192 H LYS 28 H LYS 28 23.606 3.190 -5.835 193 HA LYS 28 HA LYS 28 24.740 3.874 -3.316 194 1HB LYS 28 2HB LYS 28 22.480 2.569 -4.097 195 2HB LYS 28 1HB LYS 28 23.449 1.216 -3.515 196 1HG LYS 28 2HG LYS 28 23.875 3.121 -1.567 197 2HG LYS 28 1HG LYS 28 22.188 3.395 -2.002 198 1HD LYS 28 2HD LYS 28 21.536 1.241 -1.375 199 2HD LYS 28 1HD LYS 28 23.166 0.590 -1.552 200 1HE LYS 28 2HE LYS 28 22.504 0.825 0.836 201 2HE LYS 28 1HE LYS 28 23.904 1.818 0.432 202 1HZ LYS 28 1HZ LYS 28 22.766 3.540 1.196 203 2HZ LYS 28 2HZ LYS 28 21.345 2.622 1.362 204 3HZ LYS 28 3HZ LYS 28 21.707 3.377 -0.118 205 H LYS 29 H LYS 29 25.346 1.126 -5.485 206 HA LYS 29 HA LYS 29 27.020 -0.366 -3.728 207 1HB LYS 29 2HB LYS 29 26.278 -0.436 -6.505 208 2HB LYS 29 1HB LYS 29 28.024 -0.651 -6.368 209 1HG LYS 29 2HG LYS 29 27.389 -2.838 -6.037 210 2HG LYS 29 1HG LYS 29 27.264 -2.272 -4.371 211 1HD LYS 29 2HD LYS 29 24.812 -1.571 -5.269 212 2HD LYS 29 1HD LYS 29 25.115 -2.972 -6.296 213 1HE LYS 29 2HE LYS 29 25.400 -2.967 -3.278 214 2HE LYS 29 1HE LYS 29 23.991 -3.575 -4.147 215 1HZ LYS 29 1HZ LYS 29 26.026 -5.113 -3.476 216 2HZ LYS 29 2HZ LYS 29 26.595 -4.579 -4.986 217 3HZ LYS 29 3HZ LYS 29 25.103 -5.386 -4.874 218 H LYS 30 H LYS 30 27.781 2.261 -6.006 219 HA LYS 30 HA LYS 30 30.390 2.562 -4.588 220 1HB LYS 30 2HB LYS 30 30.105 1.655 -7.224 221 2HB LYS 30 1HB LYS 30 30.547 3.355 -7.380 222 1HG LYS 30 2HG LYS 30 32.124 2.139 -5.298 223 2HG LYS 30 1HG LYS 30 32.261 1.184 -6.774 224 1HD LYS 30 2HD LYS 30 32.540 3.556 -7.910 225 2HD LYS 30 1HD LYS 30 33.039 4.037 -6.286 226 1HE LYS 30 2HE LYS 30 35.072 3.367 -7.223 227 2HE LYS 30 1HE LYS 30 34.548 1.890 -6.414 228 1HZ LYS 30 1HZ LYS 30 34.888 1.000 -8.431 229 2HZ LYS 30 2HZ LYS 30 34.749 2.486 -9.243 230 3HZ LYS 30 3HZ LYS 30 33.354 1.631 -8.782 231 H ALA 31 H ALA 31 29.131 4.267 -3.454 232 HA ALA 31 HA ALA 31 29.010 6.758 -5.103 233 1HB ALA 31 1HB ALA 31 26.990 5.573 -3.253 234 2HB ALA 31 2HB ALA 31 26.749 6.516 -4.724 235 3HB ALA 31 3HB ALA 31 27.185 7.326 -3.220 236 H GLY 32 H GLY 32 28.396 6.348 -1.639 237 1HA GLY 32 2HA GLY 32 29.573 7.152 0.226 238 2HA GLY 32 1HA GLY 32 31.033 7.071 -0.761 239 H ARG 33 H ARG 33 28.686 9.159 0.599 240 HA ARG 33 HA ARG 33 28.958 11.406 -1.167 241 1HB ARG 33 2HB ARG 33 27.805 10.867 1.471 242 2HB ARG 33 1HB ARG 33 28.500 12.485 1.351 243 1HG ARG 33 2HG ARG 33 26.806 13.186 0.045 244 2HG ARG 33 1HG ARG 33 27.039 11.833 -1.062 245 1HD ARG 33 2HD ARG 33 25.028 11.104 -0.315 246 2HD ARG 33 1HD ARG 33 25.903 10.609 1.135 247 HE ARG 33 HE ARG 33 25.263 13.292 1.561 248 1HH1 ARG 33 1HH1 ARG 33 24.076 10.293 2.262 249 2HH1 ARG 33 2HH1 ARG 33 22.424 10.770 2.466 250 1HH2 ARG 33 1HH2 ARG 33 22.917 13.962 1.202 251 2HH2 ARG 33 2HH2 ARG 33 21.767 12.848 1.864 252 H GLY 34 H GLY 34 30.280 13.306 -0.878 253 1HA GLY 34 2HA GLY 34 32.842 12.706 0.521 254 2HA GLY 34 1HA GLY 34 32.659 13.858 -0.802 Start of MODEL 14 1 1H MET 1 1HT MET 1 6.905 -17.167 -23.107 2 2H MET 1 2HT MET 1 8.558 -17.248 -23.489 3 3H MET 1 3HT MET 1 8.046 -16.441 -22.084 4 HA MET 1 HA MET 1 7.941 -19.356 -22.620 5 1HB MET 1 2HB MET 1 9.888 -17.663 -21.456 6 2HB MET 1 1HB MET 1 9.119 -18.522 -20.122 7 1HG MET 1 2HG MET 1 9.542 -20.668 -21.204 8 2HG MET 1 1HG MET 1 10.210 -19.852 -22.618 9 1HE MET 1 1HE MET 1 12.357 -17.850 -22.053 10 2HE MET 1 2HE MET 1 12.288 -19.311 -23.036 11 3HE MET 1 3HE MET 1 13.657 -19.046 -21.960 12 H GLY 2 H GLY 2 6.349 -16.703 -21.188 13 1HA GLY 2 2HA GLY 2 4.841 -18.583 -19.413 14 2HA GLY 2 1HA GLY 2 5.205 -16.929 -18.921 15 H LYS 3 H LYS 3 3.020 -16.282 -18.774 16 HA LYS 3 HA LYS 3 1.822 -15.225 -21.123 17 1HB LYS 3 2HB LYS 3 1.105 -18.020 -20.448 18 2HB LYS 3 1HB LYS 3 -0.257 -16.947 -20.770 19 1HG LYS 3 2HG LYS 3 1.766 -16.423 -22.723 20 2HG LYS 3 1HG LYS 3 1.502 -18.167 -22.658 21 1HD LYS 3 2HD LYS 3 -0.931 -17.807 -22.903 22 2HD LYS 3 1HD LYS 3 -0.660 -16.067 -22.988 23 1HE LYS 3 2HE LYS 3 -0.879 -16.974 -25.251 24 2HE LYS 3 1HE LYS 3 0.772 -16.413 -24.994 25 1HZ LYS 3 1HZ LYS 3 1.484 -18.440 -25.460 26 2HZ LYS 3 2HZ LYS 3 -0.110 -18.988 -25.670 27 3HZ LYS 3 3HZ LYS 3 0.623 -19.064 -24.140 28 H ALA 4 H ALA 4 1.388 -16.476 -17.858 29 HA ALA 4 HA ALA 4 -0.796 -14.506 -17.393 30 1HB ALA 4 1HB ALA 4 -0.795 -17.048 -16.654 31 2HB ALA 4 2HB ALA 4 -1.467 -15.814 -15.589 32 3HB ALA 4 3HB ALA 4 0.159 -16.435 -15.304 33 H GLU 5 H GLU 5 2.434 -15.434 -16.243 34 HA GLU 5 HA GLU 5 2.626 -13.528 -14.128 35 1HB GLU 5 2HB GLU 5 4.375 -15.369 -15.485 36 2HB GLU 5 1HB GLU 5 5.192 -13.815 -15.308 37 1HG GLU 5 2HG GLU 5 5.669 -15.012 -13.301 38 2HG GLU 5 1HG GLU 5 4.415 -13.850 -12.868 39 H ASN 6 H ASN 6 3.666 -13.307 -17.544 40 HA ASN 6 HA ASN 6 4.433 -10.514 -17.279 41 1HB ASN 6 2HB ASN 6 5.243 -12.284 -19.021 42 2HB ASN 6 1HB ASN 6 3.779 -11.844 -19.901 43 1HD2 ASN 6 1HD2 ASN 6 3.537 -9.474 -20.461 44 2HD2 ASN 6 2HD2 ASN 6 4.937 -8.540 -20.684 45 H TYR 7 H TYR 7 1.471 -12.179 -17.738 46 HA TYR 7 HA TYR 7 0.008 -10.287 -19.286 47 1HB TYR 7 2HB TYR 7 -1.015 -12.403 -18.914 48 2HB TYR 7 1HB TYR 7 -0.806 -12.283 -17.169 49 HD1 TYR 7 1HD TYR 7 -2.375 -11.097 -15.798 50 HD2 TYR 7 2HD TYR 7 -2.679 -10.940 -20.081 51 HE1 TYR 7 1HE TYR 7 -4.611 -10.043 -15.600 52 HE2 TYR 7 2HE TYR 7 -4.917 -9.886 -19.882 53 HH TYR 7 HH TYR 7 -6.754 -9.780 -18.200 54 H GLU 8 H GLU 8 -0.265 -10.713 -15.739 55 HA GLU 8 HA GLU 8 -1.474 -8.164 -15.310 56 1HB GLU 8 2HB GLU 8 -0.580 -10.379 -13.709 57 2HB GLU 8 1HB GLU 8 -0.027 -8.874 -12.975 58 1HG GLU 8 2HG GLU 8 -2.107 -8.430 -12.249 59 2HG GLU 8 1HG GLU 8 -2.721 -8.518 -13.900 60 H LEU 9 H LEU 9 1.916 -9.189 -15.322 61 HA LEU 9 HA LEU 9 3.019 -6.780 -14.254 62 1HB LEU 9 2HB LEU 9 4.005 -9.172 -15.617 63 2HB LEU 9 1HB LEU 9 4.914 -7.725 -16.057 64 HG LEU 9 HG LEU 9 5.056 -7.210 -13.565 65 1HD1 LEU 9 1HD1 LEU 9 3.242 -9.333 -13.421 66 2HD1 LEU 9 2HD1 LEU 9 4.072 -8.576 -12.061 67 3HD1 LEU 9 3HD1 LEU 9 4.757 -10.011 -12.824 68 1HD2 LEU 9 1HD2 LEU 9 7.059 -8.360 -13.424 69 2HD2 LEU 9 2HD2 LEU 9 6.751 -8.531 -15.152 70 3HD2 LEU 9 3HD2 LEU 9 6.365 -9.855 -14.052 71 H TYR 10 H TYR 10 1.700 -7.535 -17.382 72 HA TYR 10 HA TYR 10 3.015 -5.299 -18.737 73 1HB TYR 10 2HB TYR 10 2.392 -7.203 -20.088 74 2HB TYR 10 1HB TYR 10 0.722 -7.109 -19.531 75 HD1 TYR 10 1HD TYR 10 -0.791 -5.370 -20.338 76 HD2 TYR 10 2HD TYR 10 3.285 -5.570 -21.682 77 HE1 TYR 10 1HE TYR 10 -1.318 -3.786 -22.174 78 HE2 TYR 10 2HE TYR 10 2.757 -3.986 -23.516 79 HH TYR 10 HH TYR 10 -0.498 -3.086 -24.289 80 H GLN 11 H GLN 11 -0.213 -5.960 -17.388 81 HA GLN 11 HA GLN 11 -1.406 -3.489 -18.192 82 1HB GLN 11 2HB GLN 11 -1.982 -5.486 -16.014 83 2HB GLN 11 1HB GLN 11 -2.885 -3.973 -16.093 84 1HG GLN 11 2HG GLN 11 -2.622 -5.373 -18.678 85 2HG GLN 11 1HG GLN 11 -3.567 -6.242 -17.467 86 1HE2 GLN 11 1HE2 GLN 11 -3.774 -3.819 -19.837 87 2HE2 GLN 11 2HE2 GLN 11 -5.223 -3.098 -19.326 88 H VAL 12 H VAL 12 0.550 -4.384 -15.384 89 HA VAL 12 HA VAL 12 0.187 -1.738 -14.152 90 HB VAL 12 HB VAL 12 0.454 -3.803 -12.772 91 1HG1 VAL 12 1HG1 VAL 12 3.379 -3.843 -13.270 92 2HG1 VAL 12 2HG1 VAL 12 2.372 -4.503 -14.560 93 3HG1 VAL 12 3HG1 VAL 12 2.277 -5.176 -12.933 94 1HG2 VAL 12 1HG2 VAL 12 2.901 -2.194 -12.192 95 2HG2 VAL 12 2HG2 VAL 12 1.585 -2.667 -11.115 96 3HG2 VAL 12 3HG2 VAL 12 1.364 -1.329 -12.243 97 H GLU 13 H GLU 13 2.420 -3.333 -16.293 98 HA GLU 13 HA GLU 13 4.662 -1.561 -15.853 99 1HB GLU 13 2HB GLU 13 5.066 -3.695 -16.912 100 2HB GLU 13 1HB GLU 13 3.899 -3.337 -18.187 101 1HG GLU 13 2HG GLU 13 5.441 -2.213 -19.385 102 2HG GLU 13 1HG GLU 13 5.896 -1.237 -17.987 103 H LEU 14 H LEU 14 1.730 -1.380 -17.743 104 HA LEU 14 HA LEU 14 2.321 0.447 -19.744 105 1HB LEU 14 2HB LEU 14 -0.039 -0.241 -18.175 106 2HB LEU 14 1HB LEU 14 -0.038 1.462 -18.639 107 HG LEU 14 HG LEU 14 -1.108 -0.036 -20.344 108 1HD1 LEU 14 1HD1 LEU 14 1.380 1.538 -21.018 109 2HD1 LEU 14 2HD1 LEU 14 -0.303 2.041 -21.171 110 3HD1 LEU 14 3HD1 LEU 14 0.359 0.833 -22.272 111 1HD2 LEU 14 1HD2 LEU 14 -0.059 -1.889 -21.103 112 2HD2 LEU 14 2HD2 LEU 14 1.113 -1.645 -19.808 113 3HD2 LEU 14 3HD2 LEU 14 1.429 -0.994 -21.418 114 H GLY 15 H GLY 15 1.600 1.258 -16.334 115 1HA GLY 15 2HA GLY 15 3.033 2.971 -15.241 116 2HA GLY 15 1HA GLY 15 3.064 3.828 -16.784 117 HA PRO 16 HA PRO 16 -0.352 5.637 -14.260 118 1HB PRO 16 2HB PRO 16 0.556 8.226 -14.453 119 2HB PRO 16 1HB PRO 16 1.042 7.112 -13.162 120 1HG PRO 16 2HG PRO 16 2.599 8.029 -15.536 121 2HG PRO 16 1HG PRO 16 3.182 7.477 -13.956 122 1HD PRO 16 2HD PRO 16 3.152 5.946 -16.336 123 2HD PRO 16 1HD PRO 16 3.408 5.318 -14.694 124 H GLY 17 H GLY 17 -1.234 4.872 -16.530 125 1HA GLY 17 2HA GLY 17 -1.345 6.949 -18.593 126 2HA GLY 17 1HA GLY 17 -2.180 5.395 -18.640 127 HA PRO 18 HA PRO 18 -5.220 8.750 -17.533 128 1HB PRO 18 2HB PRO 18 -6.663 8.654 -19.870 129 2HB PRO 18 1HB PRO 18 -5.280 9.734 -19.620 130 1HG PRO 18 2HG PRO 18 -5.443 7.246 -21.249 131 2HG PRO 18 1HG PRO 18 -4.357 8.633 -21.427 132 1HD PRO 18 2HD PRO 18 -3.699 6.128 -20.261 133 2HD PRO 18 1HD PRO 18 -2.721 7.609 -20.195 134 H SER 19 H SER 19 -5.485 6.433 -16.316 135 HA SER 19 HA SER 19 -7.793 4.936 -17.417 136 1HB SER 19 2HB SER 19 -5.766 4.444 -15.269 137 2HB SER 19 1HB SER 19 -7.321 3.626 -15.158 138 HG SER 19 HG SER 19 -6.740 3.262 -17.584 139 H GLY 20 H GLY 20 -7.798 7.748 -16.139 140 1HA GLY 20 2HA GLY 20 -10.109 7.188 -14.341 141 2HA GLY 20 1HA GLY 20 -8.839 8.286 -13.798 142 H ASP 21 H ASP 21 -10.094 8.004 -17.099 143 HA ASP 21 HA ASP 21 -10.907 10.871 -16.910 144 1HB ASP 21 2HB ASP 21 -9.722 9.183 -19.042 145 2HB ASP 21 1HB ASP 21 -10.959 10.323 -19.574 146 H MET 22 H MET 22 -12.918 9.964 -15.822 147 HA MET 22 HA MET 22 -14.867 9.049 -17.902 148 1HB MET 22 2HB MET 22 -14.165 7.610 -15.707 149 2HB MET 22 1HB MET 22 -15.499 8.557 -15.046 150 1HG MET 22 2HG MET 22 -16.494 6.577 -15.937 151 2HG MET 22 1HG MET 22 -16.840 7.854 -17.104 152 1HE MET 22 1HE MET 22 -15.891 4.011 -17.968 153 2HE MET 22 2HE MET 22 -16.909 4.999 -19.012 154 3HE MET 22 3HE MET 22 -17.135 5.054 -17.267 155 H ALA 23 H ALA 23 -15.190 10.350 -14.587 156 HA ALA 23 HA ALA 23 -17.518 11.849 -15.065 157 1HB ALA 23 1HB ALA 23 -15.324 11.939 -13.062 158 2HB ALA 23 2HB ALA 23 -17.070 11.860 -12.818 159 3HB ALA 23 3HB ALA 23 -16.303 13.400 -13.205 160 H ALA 24 H ALA 24 -14.196 12.578 -15.901 161 HA ALA 24 HA ALA 24 -14.435 15.386 -16.315 162 1HB ALA 24 1HB ALA 24 -12.722 13.319 -17.725 163 2HB ALA 24 2HB ALA 24 -12.254 14.328 -16.355 164 3HB ALA 24 3HB ALA 24 -12.536 15.060 -17.935 165 H LYS 25 H LYS 25 -14.747 12.730 -18.704 166 HA LYS 25 HA LYS 25 -15.643 14.420 -20.833 167 1HB LYS 25 2HB LYS 25 -14.799 12.136 -21.220 168 2HB LYS 25 1HB LYS 25 -16.188 11.473 -20.358 169 1HG LYS 25 2HG LYS 25 -16.611 13.323 -22.691 170 2HG LYS 25 1HG LYS 25 -16.272 11.614 -22.969 171 1HD LYS 25 2HD LYS 25 -18.223 11.777 -20.897 172 2HD LYS 25 1HD LYS 25 -18.753 12.825 -22.212 173 1HE LYS 25 2HE LYS 25 -17.801 9.987 -22.656 174 2HE LYS 25 1HE LYS 25 -19.496 10.401 -22.399 175 1HZ LYS 25 1HZ LYS 25 -18.412 10.325 -24.793 176 2HZ LYS 25 2HZ LYS 25 -18.037 11.936 -24.405 177 3HZ LYS 25 3HZ LYS 25 -19.653 11.413 -24.400 178 H MET 26 H MET 26 -17.417 12.548 -18.379 179 HA MET 26 HA MET 26 -20.036 12.832 -19.254 180 1HB MET 26 2HB MET 26 -19.016 13.195 -16.419 181 2HB MET 26 1HB MET 26 -20.695 12.879 -16.859 182 1HG MET 26 2HG MET 26 -19.786 10.801 -18.091 183 2HG MET 26 1HG MET 26 -18.306 11.062 -17.167 184 1HE MET 26 1HE MET 26 -21.314 8.394 -16.231 185 2HE MET 26 2HE MET 26 -19.579 8.115 -16.111 186 3HE MET 26 3HE MET 26 -20.248 8.858 -17.563 187 H SER 27 H SER 27 -18.589 15.144 -16.929 188 HA SER 27 HA SER 27 -20.562 17.146 -17.280 189 1HB SER 27 2HB SER 27 -17.902 16.959 -16.066 190 2HB SER 27 1HB SER 27 -18.249 18.563 -16.710 191 HG SER 27 HG SER 27 -19.835 17.043 -14.905 192 H LYS 28 H LYS 28 -17.533 16.572 -19.040 193 HA LYS 28 HA LYS 28 -17.312 18.905 -20.542 194 1HB LYS 28 2HB LYS 28 -15.756 16.976 -20.717 195 2HB LYS 28 1HB LYS 28 -16.987 16.085 -21.610 196 1HG LYS 28 2HG LYS 28 -17.009 18.161 -23.187 197 2HG LYS 28 1HG LYS 28 -15.445 18.528 -22.456 198 1HD LYS 28 2HD LYS 28 -15.305 15.800 -23.037 199 2HD LYS 28 1HD LYS 28 -16.123 16.499 -24.434 200 1HE LYS 28 2HE LYS 28 -14.320 18.179 -24.643 201 2HE LYS 28 1HE LYS 28 -13.494 17.457 -23.261 202 1HZ LYS 28 1HZ LYS 28 -12.604 16.642 -25.355 203 2HZ LYS 28 2HZ LYS 28 -14.139 16.068 -25.806 204 3HZ LYS 28 3HZ LYS 28 -13.330 15.384 -24.479 205 H LYS 29 H LYS 29 -19.615 16.253 -20.996 206 HA LYS 29 HA LYS 29 -20.664 17.283 -23.495 207 1HB LYS 29 2HB LYS 29 -20.853 14.883 -22.440 208 2HB LYS 29 1HB LYS 29 -22.273 15.555 -21.638 209 1HG LYS 29 2HG LYS 29 -23.427 15.856 -23.628 210 2HG LYS 29 1HG LYS 29 -21.950 16.001 -24.582 211 1HD LYS 29 2HD LYS 29 -21.514 13.591 -24.278 212 2HD LYS 29 1HD LYS 29 -22.991 13.443 -23.327 213 1HE LYS 29 2HE LYS 29 -23.803 14.739 -25.668 214 2HE LYS 29 1HE LYS 29 -22.667 13.508 -26.219 215 1HZ LYS 29 1HZ LYS 29 -23.899 11.826 -25.118 216 2HZ LYS 29 2HZ LYS 29 -25.010 12.744 -26.019 217 3HZ LYS 29 3HZ LYS 29 -24.891 12.958 -24.338 218 H LYS 30 H LYS 30 -22.131 17.144 -20.223 219 HA LYS 30 HA LYS 30 -23.580 19.665 -20.933 220 1HB LYS 30 2HB LYS 30 -24.730 17.209 -20.392 221 2HB LYS 30 1HB LYS 30 -24.799 18.020 -18.827 222 1HG LYS 30 2HG LYS 30 -26.795 18.695 -19.887 223 2HG LYS 30 1HG LYS 30 -25.702 20.055 -20.159 224 1HD LYS 30 2HD LYS 30 -26.135 19.817 -22.360 225 2HD LYS 30 1HD LYS 30 -25.184 18.332 -22.293 226 1HE LYS 30 2HE LYS 30 -28.017 18.159 -21.391 227 2HE LYS 30 1HE LYS 30 -27.740 18.352 -23.121 228 1HZ LYS 30 1HZ LYS 30 -25.938 16.491 -22.544 229 2HZ LYS 30 2HZ LYS 30 -27.526 16.128 -23.027 230 3HZ LYS 30 3HZ LYS 30 -27.111 16.114 -21.379 231 H ALA 31 H ALA 31 -21.628 20.705 -19.945 232 HA ALA 31 HA ALA 31 -21.385 20.376 -17.012 233 1HB ALA 31 1HB ALA 31 -19.676 21.346 -19.173 234 2HB ALA 31 2HB ALA 31 -19.228 20.767 -17.568 235 3HB ALA 31 3HB ALA 31 -19.697 22.451 -17.798 236 H GLY 32 H GLY 32 -22.521 22.692 -19.412 237 1HA GLY 32 2HA GLY 32 -24.478 24.005 -18.187 238 2HA GLY 32 1HA GLY 32 -23.119 24.662 -17.274 239 H ARG 33 H ARG 33 -21.288 25.541 -18.744 240 HA ARG 33 HA ARG 33 -22.394 27.590 -20.426 241 1HB ARG 33 2HB ARG 33 -19.567 26.577 -20.039 242 2HB ARG 33 1HB ARG 33 -19.963 27.959 -21.062 243 1HG ARG 33 2HG ARG 33 -20.414 29.315 -19.283 244 2HG ARG 33 1HG ARG 33 -21.145 28.010 -18.349 245 1HD ARG 33 2HD ARG 33 -18.227 27.777 -18.834 246 2HD ARG 33 1HD ARG 33 -18.729 29.073 -17.749 247 HE ARG 33 HE ARG 33 -20.088 26.693 -16.979 248 1HH1 ARG 33 1HH2 ARG 33 -16.943 26.414 -17.738 249 2HH1 ARG 33 2HH2 ARG 33 -16.330 26.256 -16.124 250 1HH2 ARG 33 1HH1 ARG 33 -19.305 27.202 -14.617 251 2HH2 ARG 33 2HH1 ARG 33 -17.669 26.700 -14.358 252 H GLY 34 H GLY 34 -21.321 24.335 -21.031 253 1HA GLY 34 2HA GLY 34 -21.718 24.811 -23.961 254 2HA GLY 34 1HA GLY 34 -20.544 23.650 -23.337 Start of MODEL 15 1 1H MET 1 1HT MET 1 -8.380 -20.212 -20.564 2 2H MET 1 2HT MET 1 -8.985 -19.052 -19.480 3 3H MET 1 3HT MET 1 -7.511 -19.833 -19.157 4 HA MET 1 HA MET 1 -7.697 -18.386 -21.680 5 1HB MET 1 2HB MET 1 -8.689 -17.071 -19.537 6 2HB MET 1 1HB MET 1 -6.969 -16.758 -19.301 7 1HG MET 1 2HG MET 1 -7.231 -15.077 -20.793 8 2HG MET 1 1HG MET 1 -7.302 -16.343 -22.018 9 1HE MET 1 1HE MET 1 -8.394 -14.450 -23.325 10 2HE MET 1 2HE MET 1 -10.132 -14.575 -23.585 11 3HE MET 1 3HE MET 1 -9.112 -15.997 -23.794 12 H GLY 2 H GLY 2 -5.469 -16.852 -21.333 13 1HA GLY 2 2HA GLY 2 -3.383 -18.643 -20.191 14 2HA GLY 2 1HA GLY 2 -3.245 -18.148 -21.880 15 H LYS 3 H LYS 3 -1.153 -17.380 -20.441 16 HA LYS 3 HA LYS 3 0.107 -15.463 -19.984 17 1HB LYS 3 2HB LYS 3 -2.341 -13.775 -20.379 18 2HB LYS 3 1HB LYS 3 -0.656 -13.391 -20.735 19 1HG LYS 3 2HG LYS 3 -1.210 -15.654 -22.288 20 2HG LYS 3 1HG LYS 3 -2.650 -14.647 -22.439 21 1HD LYS 3 2HD LYS 3 -1.537 -13.346 -23.897 22 2HD LYS 3 1HD LYS 3 -0.432 -12.895 -22.599 23 1HE LYS 3 2HE LYS 3 0.732 -15.172 -23.129 24 2HE LYS 3 1HE LYS 3 -0.127 -15.060 -24.665 25 1HZ LYS 3 1HZ LYS 3 1.716 -13.905 -25.220 26 2HZ LYS 3 2HZ LYS 3 2.050 -13.426 -23.625 27 3HZ LYS 3 3HZ LYS 3 0.856 -12.619 -24.526 28 H ALA 4 H ALA 4 0.601 -15.234 -17.894 29 HA ALA 4 HA ALA 4 -1.476 -14.206 -16.028 30 1HB ALA 4 1HB ALA 4 0.368 -16.367 -15.065 31 2HB ALA 4 2HB ALA 4 -1.067 -16.821 -15.986 32 3HB ALA 4 3HB ALA 4 -1.235 -15.923 -14.478 33 H GLU 5 H GLU 5 1.968 -15.180 -16.233 34 HA GLU 5 HA GLU 5 2.809 -13.303 -14.204 35 1HB GLU 5 2HB GLU 5 3.989 -15.404 -15.651 36 2HB GLU 5 1HB GLU 5 4.899 -13.963 -16.109 37 1HG GLU 5 2HG GLU 5 5.814 -13.741 -14.045 38 2HG GLU 5 1HG GLU 5 4.293 -14.121 -13.233 39 H ASN 6 H ASN 6 3.911 -13.257 -17.598 40 HA ASN 6 HA ASN 6 4.500 -10.477 -17.604 41 1HB ASN 6 2HB ASN 6 4.078 -12.556 -19.715 42 2HB ASN 6 1HB ASN 6 4.110 -10.862 -20.208 43 1HD2 ASN 6 1HD2 ASN 6 6.189 -12.630 -21.021 44 2HD2 ASN 6 2HD2 ASN 6 7.625 -12.183 -20.234 45 H TYR 7 H TYR 7 1.482 -12.086 -17.701 46 HA TYR 7 HA TYR 7 -0.019 -10.179 -19.244 47 1HB TYR 7 2HB TYR 7 -0.935 -12.387 -18.787 48 2HB TYR 7 1HB TYR 7 -0.881 -12.082 -17.052 49 HD1 TYR 7 1HD TYR 7 -3.294 -12.419 -16.759 50 HD2 TYR 7 2HD TYR 7 -1.763 -9.427 -19.434 51 HE1 TYR 7 1HE TYR 7 -5.538 -11.370 -16.870 52 HE2 TYR 7 2HE TYR 7 -4.008 -8.378 -19.545 53 HH TYR 7 HH TYR 7 -6.102 -8.344 -17.895 54 H GLU 8 H GLU 8 -0.554 -10.687 -15.765 55 HA GLU 8 HA GLU 8 -1.555 -8.108 -15.254 56 1HB GLU 8 2HB GLU 8 -0.739 -10.394 -13.702 57 2HB GLU 8 1HB GLU 8 -0.164 -8.919 -12.923 58 1HG GLU 8 2HG GLU 8 -2.518 -7.984 -13.269 59 2HG GLU 8 1HG GLU 8 -3.005 -9.630 -13.679 60 H LEU 9 H LEU 9 1.811 -9.272 -15.057 61 HA LEU 9 HA LEU 9 2.967 -6.908 -14.005 62 1HB LEU 9 2HB LEU 9 3.893 -9.355 -15.134 63 2HB LEU 9 1HB LEU 9 4.737 -8.040 -15.955 64 HG LEU 9 HG LEU 9 4.572 -7.468 -13.135 65 1HD1 LEU 9 1HD1 LEU 9 4.670 -9.610 -12.353 66 2HD1 LEU 9 2HD1 LEU 9 6.367 -9.492 -12.818 67 3HD1 LEU 9 3HD1 LEU 9 5.207 -10.256 -13.903 68 1HD2 LEU 9 1HD2 LEU 9 6.946 -7.164 -13.387 69 2HD2 LEU 9 2HD2 LEU 9 6.202 -6.621 -14.891 70 3HD2 LEU 9 3HD2 LEU 9 6.985 -8.199 -14.815 71 H TYR 10 H TYR 10 2.078 -7.754 -17.330 72 HA TYR 10 HA TYR 10 3.315 -5.424 -18.518 73 1HB TYR 10 2HB TYR 10 2.801 -7.376 -19.888 74 2HB TYR 10 1HB TYR 10 1.086 -7.218 -19.511 75 HD1 TYR 10 1HD TYR 10 0.568 -7.045 -21.944 76 HD2 TYR 10 2HD TYR 10 3.073 -4.185 -19.943 77 HE1 TYR 10 1HE TYR 10 0.291 -5.473 -23.842 78 HE2 TYR 10 2HE TYR 10 2.795 -2.614 -21.841 79 HH TYR 10 HH TYR 10 1.122 -3.578 -24.794 80 H GLN 11 H GLN 11 0.058 -6.153 -17.309 81 HA GLN 11 HA GLN 11 -1.182 -3.738 -18.211 82 1HB GLN 11 2HB GLN 11 -1.776 -5.693 -15.995 83 2HB GLN 11 1HB GLN 11 -2.731 -4.221 -16.174 84 1HG GLN 11 2HG GLN 11 -2.518 -5.294 -18.769 85 2HG GLN 11 1HG GLN 11 -2.859 -6.667 -17.715 86 1HE2 GLN 11 1HE2 GLN 11 -4.253 -3.878 -19.223 87 2HE2 GLN 11 2HE2 GLN 11 -5.778 -3.977 -18.484 88 H VAL 12 H VAL 12 0.712 -4.513 -15.328 89 HA VAL 12 HA VAL 12 0.184 -1.933 -14.068 90 HB VAL 12 HB VAL 12 0.697 -3.822 -12.639 91 1HG1 VAL 12 1HG1 VAL 12 3.217 -3.986 -14.310 92 2HG1 VAL 12 2HG1 VAL 12 1.969 -5.219 -14.125 93 3HG1 VAL 12 3HG1 VAL 12 3.027 -4.825 -12.771 94 1HG2 VAL 12 1HG2 VAL 12 3.237 -2.205 -12.584 95 2HG2 VAL 12 2HG2 VAL 12 2.260 -2.781 -11.233 96 3HG2 VAL 12 3HG2 VAL 12 1.693 -1.433 -12.218 97 H GLU 13 H GLU 13 2.340 -3.113 -16.476 98 HA GLU 13 HA GLU 13 4.313 -0.960 -16.029 99 1HB GLU 13 2HB GLU 13 4.591 -3.475 -17.022 100 2HB GLU 13 1HB GLU 13 4.417 -2.562 -18.522 101 1HG GLU 13 2HG GLU 13 6.692 -2.333 -18.220 102 2HG GLU 13 1HG GLU 13 6.148 -0.938 -17.287 103 H LEU 14 H LEU 14 1.384 -1.421 -17.709 104 HA LEU 14 HA LEU 14 1.731 0.065 -20.078 105 1HB LEU 14 2HB LEU 14 -0.469 -0.888 -18.514 106 2HB LEU 14 1HB LEU 14 -0.783 0.795 -18.936 107 HG LEU 14 HG LEU 14 -1.644 -0.645 -20.705 108 1HD1 LEU 14 1HD1 LEU 14 -0.597 0.413 -22.563 109 2HD1 LEU 14 2HD1 LEU 14 0.947 0.532 -21.720 110 3HD1 LEU 14 3HD1 LEU 14 -0.408 1.545 -21.223 111 1HD2 LEU 14 1HD2 LEU 14 -0.587 -2.627 -20.985 112 2HD2 LEU 14 2HD2 LEU 14 0.877 -2.034 -20.202 113 3HD2 LEU 14 3HD2 LEU 14 0.616 -1.738 -21.921 114 H GLY 15 H GLY 15 0.642 1.320 -16.900 115 1HA GLY 15 2HA GLY 15 1.227 3.395 -15.903 116 2HA GLY 15 1HA GLY 15 2.177 3.783 -17.338 117 HA PRO 16 HA PRO 16 -1.903 6.064 -17.445 118 1HB PRO 16 2HB PRO 16 -0.875 8.583 -17.046 119 2HB PRO 16 1HB PRO 16 -1.446 7.539 -15.732 120 1HG PRO 16 2HG PRO 16 1.353 8.204 -16.521 121 2HG PRO 16 1HG PRO 16 0.714 7.738 -14.936 122 1HD PRO 16 2HD PRO 16 2.117 6.043 -16.713 123 2HD PRO 16 1HD PRO 16 1.174 5.521 -15.300 124 H GLY 17 H GLY 17 1.123 7.695 -18.486 125 1HA GLY 17 2HA GLY 17 -0.120 8.390 -21.058 126 2HA GLY 17 1HA GLY 17 1.503 8.846 -20.534 127 HA PRO 18 HA PRO 18 1.522 5.002 -23.317 128 1HB PRO 18 2HB PRO 18 1.754 6.181 -25.790 129 2HB PRO 18 1HB PRO 18 0.205 5.703 -25.074 130 1HG PRO 18 2HG PRO 18 1.369 8.431 -25.381 131 2HG PRO 18 1HG PRO 18 -0.331 7.941 -25.283 132 1HD PRO 18 2HD PRO 18 1.193 9.070 -23.180 133 2HD PRO 18 1HD PRO 18 -0.386 8.272 -23.014 134 H SER 19 H SER 19 3.128 7.734 -24.945 135 HA SER 19 HA SER 19 5.400 7.982 -25.523 136 1HB SER 19 2HB SER 19 6.489 7.136 -22.981 137 2HB SER 19 1HB SER 19 6.397 8.757 -23.659 138 HG SER 19 HG SER 19 4.938 9.067 -22.181 139 H GLY 20 H GLY 20 4.562 5.572 -26.468 140 1HA GLY 20 2HA GLY 20 6.241 3.925 -27.371 141 2HA GLY 20 1HA GLY 20 6.785 3.719 -25.706 142 H ASP 21 H ASP 21 3.675 3.606 -27.485 143 HA ASP 21 HA ASP 21 3.057 1.116 -25.944 144 1HB ASP 21 2HB ASP 21 1.640 3.514 -25.921 145 2HB ASP 21 1HB ASP 21 0.735 2.504 -27.048 146 H MET 22 H MET 22 4.351 0.366 -28.014 147 HA MET 22 HA MET 22 2.496 -0.947 -29.751 148 1HB MET 22 2HB MET 22 3.246 1.740 -30.522 149 2HB MET 22 1HB MET 22 3.830 0.577 -31.714 150 1HG MET 22 2HG MET 22 1.744 0.403 -32.533 151 2HG MET 22 1HG MET 22 1.206 -0.233 -30.978 152 1HE MET 22 1HE MET 22 -1.201 1.911 -32.517 153 2HE MET 22 2HE MET 22 0.236 1.376 -33.385 154 3HE MET 22 3HE MET 22 -0.073 3.098 -33.186 155 H ALA 23 H ALA 23 5.785 0.458 -29.714 156 HA ALA 23 HA ALA 23 6.888 -1.843 -31.142 157 1HB ALA 23 1HB ALA 23 8.963 -0.706 -31.037 158 2HB ALA 23 2HB ALA 23 8.484 0.209 -29.608 159 3HB ALA 23 3HB ALA 23 7.769 0.584 -31.175 160 H ALA 24 H ALA 24 6.028 -1.220 -27.921 161 HA ALA 24 HA ALA 24 8.085 -2.539 -26.469 162 1HB ALA 24 1HB ALA 24 5.314 -1.722 -25.992 163 2HB ALA 24 2HB ALA 24 6.685 -1.729 -24.884 164 3HB ALA 24 3HB ALA 24 5.743 -3.200 -25.130 165 H LYS 25 H LYS 25 5.766 -3.788 -28.679 166 HA LYS 25 HA LYS 25 5.879 -6.523 -27.586 167 1HB LYS 25 2HB LYS 25 4.164 -5.078 -29.373 168 2HB LYS 25 1HB LYS 25 4.792 -6.494 -30.218 169 1HG LYS 25 2HG LYS 25 3.259 -7.724 -29.119 170 2HG LYS 25 1HG LYS 25 4.170 -7.411 -27.640 171 1HD LYS 25 2HD LYS 25 2.714 -5.791 -26.921 172 2HD LYS 25 1HD LYS 25 2.342 -5.250 -28.558 173 1HE LYS 25 2HE LYS 25 1.376 -7.873 -28.458 174 2HE LYS 25 1HE LYS 25 0.933 -7.180 -26.896 175 1HZ LYS 25 1HZ LYS 25 0.459 -5.260 -28.872 176 2HZ LYS 25 2HZ LYS 25 -0.674 -6.060 -27.891 177 3HZ LYS 25 3HZ LYS 25 -0.238 -6.715 -29.397 178 H MET 26 H MET 26 6.735 -5.017 -30.727 179 HA MET 26 HA MET 26 8.172 -7.199 -31.782 180 1HB MET 26 2HB MET 26 9.413 -5.462 -33.118 181 2HB MET 26 1HB MET 26 7.660 -5.279 -33.170 182 1HG MET 26 2HG MET 26 7.807 -3.587 -31.352 183 2HG MET 26 1HG MET 26 9.563 -3.732 -31.386 184 1HE MET 26 1HE MET 26 11.068 -2.830 -33.827 185 2HE MET 26 2HE MET 26 10.799 -2.338 -32.157 186 3HE MET 26 3HE MET 26 10.628 -1.159 -33.454 187 H SER 27 H SER 27 9.027 -5.027 -29.218 188 HA SER 27 HA SER 27 11.889 -5.741 -29.357 189 1HB SER 27 2HB SER 27 12.005 -4.296 -27.275 190 2HB SER 27 1HB SER 27 11.437 -3.468 -28.722 191 HG SER 27 HG SER 27 9.733 -4.674 -26.799 192 H LYS 28 H LYS 28 9.011 -6.519 -27.475 193 HA LYS 28 HA LYS 28 10.496 -7.999 -25.444 194 1HB LYS 28 2HB LYS 28 8.235 -6.930 -25.074 195 2HB LYS 28 1HB LYS 28 7.545 -8.190 -26.098 196 1HG LYS 28 2HG LYS 28 9.252 -9.452 -24.186 197 2HG LYS 28 1HG LYS 28 8.191 -8.341 -23.319 198 1HD LYS 28 2HD LYS 28 7.074 -10.177 -25.428 199 2HD LYS 28 1HD LYS 28 7.336 -10.758 -23.783 200 1HE LYS 28 2HE LYS 28 6.024 -8.152 -23.827 201 2HE LYS 28 1HE LYS 28 5.093 -9.378 -24.687 202 1HZ LYS 28 1HZ LYS 28 5.027 -10.743 -22.801 203 2HZ LYS 28 2HZ LYS 28 4.698 -9.182 -22.215 204 3HZ LYS 28 3HZ LYS 28 6.239 -9.864 -22.002 205 H LYS 29 H LYS 29 9.570 -8.642 -28.645 206 HA LYS 29 HA LYS 29 8.920 -11.412 -28.527 207 1HB LYS 29 2HB LYS 29 9.336 -9.502 -30.545 208 2HB LYS 29 1HB LYS 29 10.528 -10.764 -30.856 209 1HG LYS 29 2HG LYS 29 8.777 -12.473 -30.805 210 2HG LYS 29 1HG LYS 29 7.569 -11.251 -30.408 211 1HD LYS 29 2HD LYS 29 8.054 -10.098 -32.550 212 2HD LYS 29 1HD LYS 29 9.214 -11.363 -32.954 213 1HE LYS 29 2HE LYS 29 6.459 -12.216 -32.186 214 2HE LYS 29 1HE LYS 29 6.673 -11.486 -33.777 215 1HZ LYS 29 1HZ LYS 29 6.970 -13.996 -33.560 216 2HZ LYS 29 2HZ LYS 29 8.461 -13.636 -32.831 217 3HZ LYS 29 3HZ LYS 29 8.149 -13.135 -34.424 218 H LYS 30 H LYS 30 11.973 -9.727 -28.255 219 HA LYS 30 HA LYS 30 13.332 -12.387 -28.051 220 1HB LYS 30 2HB LYS 30 14.142 -9.845 -29.386 221 2HB LYS 30 1HB LYS 30 15.407 -10.772 -28.578 222 1HG LYS 30 2HG LYS 30 13.966 -12.720 -29.930 223 2HG LYS 30 1HG LYS 30 13.969 -11.364 -31.058 224 1HD LYS 30 2HD LYS 30 16.148 -11.677 -31.538 225 2HD LYS 30 1HD LYS 30 16.577 -11.681 -29.827 226 1HE LYS 30 2HE LYS 30 17.189 -13.839 -30.621 227 2HE LYS 30 1HE LYS 30 15.665 -14.079 -29.766 228 1HZ LYS 30 1HZ LYS 30 16.268 -14.416 -32.546 229 2HZ LYS 30 2HZ LYS 30 14.899 -13.443 -32.295 230 3HZ LYS 30 3HZ LYS 30 14.962 -15.013 -31.643 231 H ALA 31 H ALA 31 12.106 -10.106 -26.163 232 HA ALA 31 HA ALA 31 14.294 -9.264 -24.506 233 1HB ALA 31 1HB ALA 31 12.470 -8.009 -23.934 234 2HB ALA 31 2HB ALA 31 12.189 -9.311 -22.777 235 3HB ALA 31 3HB ALA 31 11.336 -9.303 -24.321 236 H GLY 32 H GLY 32 11.860 -11.838 -23.950 237 1HA GLY 32 2HA GLY 32 13.427 -12.971 -21.769 238 2HA GLY 32 1HA GLY 32 11.967 -13.673 -22.466 239 H ARG 33 H ARG 33 12.969 -15.772 -22.547 240 HA ARG 33 HA ARG 33 15.464 -16.263 -23.885 241 1HB ARG 33 2HB ARG 33 13.163 -17.918 -22.950 242 2HB ARG 33 1HB ARG 33 14.241 -18.634 -24.148 243 1HG ARG 33 2HG ARG 33 15.852 -17.325 -22.182 244 2HG ARG 33 1HG ARG 33 14.680 -18.343 -21.342 245 1HD ARG 33 2HD ARG 33 16.587 -19.210 -23.533 246 2HD ARG 33 1HD ARG 33 16.648 -19.681 -21.834 247 HE ARG 33 HE ARG 33 14.125 -20.365 -23.146 248 1HH1 ARG 33 1HH1 ARG 33 16.588 -21.494 -21.234 249 2HH1 ARG 33 2HH1 ARG 33 16.638 -23.091 -21.902 250 1HH2 ARG 33 1HH2 ARG 33 14.514 -22.341 -24.537 251 2HH2 ARG 33 2HH2 ARG 33 15.465 -23.569 -23.774 252 H GLY 34 H GLY 34 12.080 -16.331 -24.989 253 1HA GLY 34 2HA GLY 34 11.700 -15.489 -27.318 254 2HA GLY 34 1HA GLY 34 13.132 -16.405 -27.790
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