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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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6381 |
1iwf ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -1.089 17.230 14.786 2 2H MET 1 2HT MET 1 -0.369 16.979 16.305 3 3H MET 1 3HT MET 1 -0.105 15.873 15.043 4 HA MET 1 HA MET 1 0.853 17.904 13.794 5 1HB MET 1 2HB MET 1 1.164 18.700 16.707 6 2HB MET 1 1HB MET 1 1.886 19.527 15.326 7 1HG MET 1 2HG MET 1 -0.079 20.520 14.725 8 2HG MET 1 1HG MET 1 -1.043 19.111 15.170 9 1HE MET 1 1HE MET 1 -1.202 22.895 17.121 10 2HE MET 1 2HE MET 1 -1.046 22.321 15.462 11 3HE MET 1 3HE MET 1 0.400 22.608 16.427 12 H GLY 2 H GLY 2 3.267 17.965 13.820 13 1HA GLY 2 2HA GLY 2 5.398 17.080 14.477 14 2HA GLY 2 1HA GLY 2 4.572 15.965 15.566 15 H LYS 3 H LYS 3 3.158 14.287 14.374 16 HA LYS 3 HA LYS 3 4.851 12.947 12.414 17 1HB LYS 3 2HB LYS 3 2.124 12.293 13.566 18 2HB LYS 3 1HB LYS 3 2.973 11.252 12.422 19 1HG LYS 3 2HG LYS 3 3.657 10.349 14.460 20 2HG LYS 3 1HG LYS 3 4.964 11.484 14.123 21 1HD LYS 3 2HD LYS 3 4.466 12.716 15.941 22 2HD LYS 3 1HD LYS 3 2.765 12.807 15.481 23 1HE LYS 3 2HE LYS 3 2.261 10.736 16.556 24 2HE LYS 3 1HE LYS 3 3.968 10.336 16.742 25 1HZ LYS 3 1HZ LYS 3 2.674 12.680 18.019 26 2HZ LYS 3 2HZ LYS 3 4.240 12.086 18.305 27 3HZ LYS 3 3HZ LYS 3 2.885 11.185 18.791 28 H ALA 4 H ALA 4 1.978 14.949 12.330 29 HA ALA 4 HA ALA 4 0.783 15.829 10.511 30 1HB ALA 4 1HB ALA 4 3.300 16.141 9.791 31 2HB ALA 4 2HB ALA 4 2.016 16.360 8.603 32 3HB ALA 4 3HB ALA 4 2.926 14.852 8.648 33 H GLU 5 H GLU 5 -0.636 15.095 8.827 34 HA GLU 5 HA GLU 5 -0.464 12.187 8.179 35 1HB GLU 5 2HB GLU 5 -2.881 13.669 9.258 36 2HB GLU 5 1HB GLU 5 -2.968 12.073 8.512 37 1HG GLU 5 2HG GLU 5 -1.453 11.161 10.196 38 2HG GLU 5 1HG GLU 5 -1.241 12.760 10.909 39 H ASN 6 H ASN 6 -1.729 11.626 6.236 40 HA ASN 6 HA ASN 6 -1.843 13.927 4.356 41 1HB ASN 6 2HB ASN 6 -0.725 11.440 4.065 42 2HB ASN 6 1HB ASN 6 -2.298 11.209 3.301 43 1HD2 ASN 6 1HD2 ASN 6 -0.541 11.042 1.388 44 2HD2 ASN 6 2HD2 ASN 6 -0.271 12.494 0.550 45 H TYR 7 H TYR 7 -3.643 13.302 2.524 46 HA TYR 7 HA TYR 7 -6.187 13.310 4.024 47 1HB TYR 7 2HB TYR 7 -6.415 13.534 1.122 48 2HB TYR 7 1HB TYR 7 -6.964 14.640 2.375 49 HD1 TYR 7 1HD TYR 7 -4.202 13.767 0.113 50 HD2 TYR 7 2HD TYR 7 -5.529 16.452 3.192 51 HE1 TYR 7 1HE TYR 7 -2.333 15.306 -0.423 52 HE2 TYR 7 2HE TYR 7 -3.660 17.990 2.655 53 HH TYR 7 HH TYR 7 -2.205 18.384 0.363 54 H GLU 8 H GLU 8 -4.878 11.690 1.127 55 HA GLU 8 HA GLU 8 -6.547 9.318 1.855 56 1HB GLU 8 2HB GLU 8 -5.915 9.971 -1.010 57 2HB GLU 8 1HB GLU 8 -7.252 9.024 -0.354 58 1HG GLU 8 2HG GLU 8 -8.472 10.913 -0.677 59 2HG GLU 8 1HG GLU 8 -7.692 11.472 0.804 60 H LEU 9 H LEU 9 -4.026 9.351 2.801 61 HA LEU 9 HA LEU 9 -2.213 8.116 0.826 62 1HB LEU 9 2HB LEU 9 -1.394 9.746 2.563 63 2HB LEU 9 1HB LEU 9 -1.781 8.546 3.796 64 HG LEU 9 HG LEU 9 0.643 8.571 2.980 65 1HD1 LEU 9 1HD1 LEU 9 -0.461 5.879 2.369 66 2HD1 LEU 9 2HD1 LEU 9 -0.884 6.564 3.937 67 3HD1 LEU 9 3HD1 LEU 9 0.809 6.344 3.498 68 1HD2 LEU 9 1HD2 LEU 9 -0.368 8.724 0.510 69 2HD2 LEU 9 2HD2 LEU 9 -0.299 6.968 0.639 70 3HD2 LEU 9 3HD2 LEU 9 1.171 7.924 0.824 71 H TYR 10 H TYR 10 -3.019 7.139 4.171 72 HA TYR 10 HA TYR 10 -2.636 4.343 3.506 73 1HB TYR 10 2HB TYR 10 -2.962 3.929 5.795 74 2HB TYR 10 1HB TYR 10 -2.199 5.509 5.744 75 HD1 TYR 10 1HD TYR 10 -4.808 6.906 4.657 76 HD2 TYR 10 2HD TYR 10 -3.985 4.312 7.978 77 HE1 TYR 10 1HE TYR 10 -6.736 7.866 5.883 78 HE2 TYR 10 2HE TYR 10 -5.916 5.270 9.205 79 HH TYR 10 HH TYR 10 -7.194 7.840 8.900 80 H GLN 11 H GLN 11 -5.097 6.312 2.683 81 HA GLN 11 HA GLN 11 -7.308 4.474 3.359 82 1HB GLN 11 2HB GLN 11 -7.084 7.239 2.652 83 2HB GLN 11 1HB GLN 11 -8.083 6.445 1.433 84 1HG GLN 11 2HG GLN 11 -9.618 5.640 3.077 85 2HG GLN 11 1HG GLN 11 -8.525 6.054 4.399 86 1HE2 GLN 11 1HE2 GLN 11 -10.390 7.608 1.735 87 2HE2 GLN 11 2HE2 GLN 11 -10.650 9.064 2.569 88 H VAL 12 H VAL 12 -5.093 3.544 1.711 89 HA VAL 12 HA VAL 12 -6.353 3.210 -0.942 90 HB VAL 12 HB VAL 12 -4.130 4.045 -1.098 91 1HG1 VAL 12 1HG1 VAL 12 -3.390 3.583 1.163 92 2HG1 VAL 12 2HG1 VAL 12 -2.236 2.868 0.034 93 3HG1 VAL 12 3HG1 VAL 12 -3.417 1.845 0.854 94 1HG2 VAL 12 1HG2 VAL 12 -3.575 1.123 -1.441 95 2HG2 VAL 12 2HG2 VAL 12 -3.220 2.461 -2.533 96 3HG2 VAL 12 3HG2 VAL 12 -4.867 1.844 -2.400 97 H GLU 13 H GLU 13 -7.839 1.668 0.397 98 HA GLU 13 HA GLU 13 -8.436 -0.519 1.019 99 1HB GLU 13 2HB GLU 13 -8.022 -0.812 -1.416 100 2HB GLU 13 1HB GLU 13 -6.336 -1.194 -1.065 101 1HG GLU 13 2HG GLU 13 -6.839 -3.305 -0.426 102 2HG GLU 13 1HG GLU 13 -8.212 -2.768 0.542 103 H LEU 14 H LEU 14 -6.868 0.418 2.954 104 HA LEU 14 HA LEU 14 -4.351 -0.781 3.416 105 1HB LEU 14 2HB LEU 14 -6.267 0.718 4.924 106 2HB LEU 14 1HB LEU 14 -5.769 -0.668 5.893 107 HG LEU 14 HG LEU 14 -3.829 1.199 4.503 108 1HD1 LEU 14 1HD1 LEU 14 -5.235 2.252 6.346 109 2HD1 LEU 14 2HD1 LEU 14 -3.492 2.277 6.620 110 3HD1 LEU 14 3HD1 LEU 14 -4.499 1.093 7.454 111 1HD2 LEU 14 1HD2 LEU 14 -3.585 -1.117 6.427 112 2HD2 LEU 14 2HD2 LEU 14 -2.308 0.090 6.281 113 3HD2 LEU 14 3HD2 LEU 14 -2.764 -0.885 4.884 114 H GLY 15 H GLY 15 -4.047 -2.495 5.255 115 1HA GLY 15 2HA GLY 15 -4.252 -4.759 5.840 116 2HA GLY 15 1HA GLY 15 -5.988 -4.464 5.818 117 HA PRO 16 HA PRO 16 -4.557 -6.232 1.565 118 1HB PRO 16 2HB PRO 16 -2.473 -8.006 1.829 119 2HB PRO 16 1HB PRO 16 -2.254 -6.290 1.442 120 1HG PRO 16 2HG PRO 16 -1.754 -7.713 4.015 121 2HG PRO 16 1HG PRO 16 -1.003 -6.238 3.384 122 1HD PRO 16 2HD PRO 16 -3.035 -6.352 5.351 123 2HD PRO 16 1HD PRO 16 -2.512 -4.899 4.473 124 H GLY 17 H GLY 17 -6.637 -7.213 2.449 125 1HA GLY 17 2HA GLY 17 -6.260 -10.147 2.868 126 2HA GLY 17 1HA GLY 17 -7.419 -9.242 3.844 127 HA PRO 18 HA PRO 18 -9.101 -9.345 -0.656 128 1HB PRO 18 2HB PRO 18 -7.830 -11.093 -2.356 129 2HB PRO 18 1HB PRO 18 -7.379 -9.387 -2.189 130 1HG PRO 18 2HG PRO 18 -5.977 -11.806 -1.156 131 2HG PRO 18 1HG PRO 18 -5.315 -10.217 -1.569 132 1HD PRO 18 2HD PRO 18 -5.862 -11.157 1.046 133 2HD PRO 18 1HD PRO 18 -5.512 -9.475 0.591 134 H SER 19 H SER 19 -7.746 -12.609 -0.906 135 HA SER 19 HA SER 19 -10.259 -13.906 -1.084 136 1HB SER 19 2HB SER 19 -8.378 -15.145 -1.822 137 2HB SER 19 1HB SER 19 -7.504 -14.873 -0.316 138 HG SER 19 HG SER 19 -9.962 -16.274 -0.443 139 H GLY 20 H GLY 20 -11.715 -14.545 0.450 140 1HA GLY 20 2HA GLY 20 -12.659 -14.938 2.564 141 2HA GLY 20 1HA GLY 20 -11.018 -15.183 3.167 142 H ASP 21 H ASP 21 -11.327 -13.951 5.068 143 HA ASP 21 HA ASP 21 -11.814 -11.033 4.618 144 1HB ASP 21 2HB ASP 21 -13.078 -12.834 6.388 145 2HB ASP 21 1HB ASP 21 -12.026 -11.831 7.389 146 H MET 22 H MET 22 -10.796 -9.896 6.806 147 HA MET 22 HA MET 22 -7.932 -10.753 6.785 148 1HB MET 22 2HB MET 22 -8.533 -8.459 5.861 149 2HB MET 22 1HB MET 22 -9.001 -8.014 7.503 150 1HG MET 22 2HG MET 22 -6.702 -8.704 8.265 151 2HG MET 22 1HG MET 22 -6.262 -8.912 6.571 152 1HE MET 22 1HE MET 22 -4.721 -6.062 8.538 153 2HE MET 22 2HE MET 22 -5.707 -7.350 9.226 154 3HE MET 22 3HE MET 22 -6.265 -5.680 9.313 155 H ALA 23 H ALA 23 -6.768 -10.554 8.835 156 HA ALA 23 HA ALA 23 -7.792 -9.812 11.317 157 1HB ALA 23 1HB ALA 23 -9.623 -11.283 11.251 158 2HB ALA 23 2HB ALA 23 -8.423 -12.203 12.158 159 3HB ALA 23 3HB ALA 23 -8.695 -12.551 10.451 160 H ALA 24 H ALA 24 -5.332 -9.555 10.767 161 HA ALA 24 HA ALA 24 -3.810 -11.988 11.557 162 1HB ALA 24 1HB ALA 24 -2.933 -9.344 10.366 163 2HB ALA 24 2HB ALA 24 -2.962 -10.913 9.563 164 3HB ALA 24 3HB ALA 24 -1.814 -10.612 10.867 165 H LYS 25 H LYS 25 -5.406 -9.922 13.276 166 HA LYS 25 HA LYS 25 -5.138 -8.891 15.367 167 1HB LYS 25 2HB LYS 25 -3.128 -11.133 15.388 168 2HB LYS 25 1HB LYS 25 -3.262 -10.041 16.766 169 1HG LYS 25 2HG LYS 25 -4.768 -11.739 17.339 170 2HG LYS 25 1HG LYS 25 -5.825 -10.543 16.585 171 1HD LYS 25 2HD LYS 25 -6.026 -11.779 14.605 172 2HD LYS 25 1HD LYS 25 -4.549 -12.692 14.912 173 1HE LYS 25 2HE LYS 25 -5.852 -13.567 17.016 174 2HE LYS 25 1HE LYS 25 -7.279 -13.055 16.113 175 1HZ LYS 25 1HZ LYS 25 -6.700 -14.472 14.323 176 2HZ LYS 25 2HZ LYS 25 -6.585 -15.403 15.739 177 3HZ LYS 25 3HZ LYS 25 -5.177 -14.819 14.987 178 H MET 26 H MET 26 -4.315 -7.035 13.890 179 HA MET 26 HA MET 26 -1.738 -6.124 15.010 180 1HB MET 26 2HB MET 26 -1.575 -7.319 12.618 181 2HB MET 26 1HB MET 26 -2.074 -5.716 12.076 182 1HG MET 26 2HG MET 26 0.382 -5.868 12.158 183 2HG MET 26 1HG MET 26 -0.206 -4.711 13.353 184 1HE MET 26 1HE MET 26 2.581 -5.529 15.133 185 2HE MET 26 2HE MET 26 1.197 -5.207 16.175 186 3HE MET 26 3HE MET 26 1.313 -4.416 14.605 187 H SER 27 H SER 27 -4.104 -5.214 12.501 188 HA SER 27 HA SER 27 -4.442 -2.611 13.937 189 1HB SER 27 2HB SER 27 -4.790 -1.558 11.717 190 2HB SER 27 1HB SER 27 -3.185 -2.271 11.850 191 HG SER 27 HG SER 27 -5.418 -3.099 10.378 192 H LYS 28 H LYS 28 -6.345 -3.362 15.000 193 HA LYS 28 HA LYS 28 -8.606 -4.094 13.191 194 1HB LYS 28 2HB LYS 28 -8.038 -4.694 16.094 195 2HB LYS 28 1HB LYS 28 -9.658 -4.862 15.416 196 1HG LYS 28 2HG LYS 28 -7.530 -6.089 13.785 197 2HG LYS 28 1HG LYS 28 -7.753 -6.835 15.369 198 1HD LYS 28 2HD LYS 28 -10.139 -6.219 13.644 199 2HD LYS 28 1HD LYS 28 -9.200 -7.685 13.366 200 1HE LYS 28 2HE LYS 28 -9.740 -7.300 16.198 201 2HE LYS 28 1HE LYS 28 -11.234 -7.350 15.261 202 1HZ LYS 28 1HZ LYS 28 -10.842 -9.563 15.636 203 2HZ LYS 28 2HZ LYS 28 -9.153 -9.405 15.557 204 3HZ LYS 28 3HZ LYS 28 -10.082 -9.364 14.134 205 H LYS 29 H LYS 29 -8.914 -1.779 12.706 206 HA LYS 29 HA LYS 29 -10.285 -0.356 14.954 207 1HB LYS 29 2HB LYS 29 -8.030 0.493 13.525 208 2HB LYS 29 1HB LYS 29 -9.370 1.392 12.812 209 1HG LYS 29 2HG LYS 29 -9.995 1.622 15.441 210 2HG LYS 29 1HG LYS 29 -8.236 1.544 15.547 211 1HD LYS 29 2HD LYS 29 -8.345 3.778 15.123 212 2HD LYS 29 1HD LYS 29 -8.556 3.263 13.448 213 1HE LYS 29 2HE LYS 29 -11.116 3.065 14.451 214 2HE LYS 29 1HE LYS 29 -10.493 4.489 15.286 215 1HZ LYS 29 1HZ LYS 29 -9.713 4.522 12.568 216 2HZ LYS 29 2HZ LYS 29 -10.638 5.659 13.430 217 3HZ LYS 29 3HZ LYS 29 -11.396 4.339 12.678 218 H LYS 30 H LYS 30 -11.913 -1.970 13.645 219 HA LYS 30 HA LYS 30 -12.974 -0.989 11.158 220 1HB LYS 30 2HB LYS 30 -13.965 -2.855 13.299 221 2HB LYS 30 1HB LYS 30 -15.056 -2.338 12.012 222 1HG LYS 30 2HG LYS 30 -12.347 -3.256 11.186 223 2HG LYS 30 1HG LYS 30 -13.467 -4.492 11.760 224 1HD LYS 30 2HD LYS 30 -14.034 -4.436 9.511 225 2HD LYS 30 1HD LYS 30 -15.160 -3.239 10.152 226 1HE LYS 30 2HE LYS 30 -12.549 -2.086 9.514 227 2HE LYS 30 1HE LYS 30 -13.333 -2.803 8.107 228 1HZ LYS 30 1HZ LYS 30 -15.343 -1.541 8.671 229 2HZ LYS 30 2HZ LYS 30 -14.018 -0.527 8.347 230 3HZ LYS 30 3HZ LYS 30 -14.514 -0.798 9.950 231 H ALA 31 H ALA 31 -14.602 -0.939 14.351 232 HA ALA 31 HA ALA 31 -15.089 1.839 14.467 233 1HB ALA 31 1HB ALA 31 -16.901 0.326 12.662 234 2HB ALA 31 2HB ALA 31 -16.463 2.034 12.644 235 3HB ALA 31 3HB ALA 31 -17.679 1.449 13.779 236 H GLY 32 H GLY 32 -14.612 0.783 16.627 237 1HA GLY 32 2HA GLY 32 -16.554 -0.899 17.909 238 2HA GLY 32 1HA GLY 32 -15.333 0.064 18.744 239 H ARG 33 H ARG 33 -15.922 2.064 19.604 240 HA ARG 33 HA ARG 33 -18.843 2.628 19.589 241 1HB ARG 33 2HB ARG 33 -18.223 4.185 21.497 242 2HB ARG 33 1HB ARG 33 -17.916 2.475 21.804 243 1HG ARG 33 2HG ARG 33 -15.642 2.737 21.784 244 2HG ARG 33 1HG ARG 33 -15.694 3.987 20.540 245 1HD ARG 33 2HD ARG 33 -16.561 5.596 22.226 246 2HD ARG 33 1HD ARG 33 -16.423 4.347 23.463 247 HE ARG 33 HE ARG 33 -13.905 4.349 22.758 248 1HH1 ARG 33 1HH2 ARG 33 -14.883 6.482 24.720 249 2HH1 ARG 33 2HH2 ARG 33 -14.162 7.905 24.046 250 1HH2 ARG 33 1HH1 ARG 33 -13.464 6.425 20.988 251 2HH2 ARG 33 2HH1 ARG 33 -13.357 7.872 21.934 252 H GLY 34 H GLY 34 -18.934 5.304 20.100 253 1HA GLY 34 2HA GLY 34 -17.365 7.174 18.888 254 2HA GLY 34 1HA GLY 34 -18.161 6.430 17.501 Start of MODEL 2 1 1H MET 1 1HT MET 1 -7.881 14.287 -9.899 2 2H MET 1 2HT MET 1 -8.692 12.826 -10.207 3 3H MET 1 3HT MET 1 -9.529 14.300 -10.303 4 HA MET 1 HA MET 1 -9.159 13.847 -12.513 5 1HB MET 1 2HB MET 1 -8.092 16.050 -11.583 6 2HB MET 1 1HB MET 1 -6.560 15.243 -11.919 7 1HG MET 1 2HG MET 1 -7.270 14.879 -14.261 8 2HG MET 1 1HG MET 1 -8.788 15.712 -13.923 9 1HE MET 1 1HE MET 1 -4.742 17.169 -14.934 10 2HE MET 1 2HE MET 1 -5.284 15.566 -14.443 11 3HE MET 1 3HE MET 1 -4.726 16.712 -13.224 12 H GLY 2 H GLY 2 -8.607 11.407 -11.811 13 1HA GLY 2 2HA GLY 2 -7.309 9.774 -13.157 14 2HA GLY 2 1HA GLY 2 -5.910 10.833 -12.970 15 H LYS 3 H LYS 3 -8.136 10.114 -10.340 16 HA LYS 3 HA LYS 3 -7.756 9.058 -8.277 17 1HB LYS 3 2HB LYS 3 -7.369 7.150 -10.033 18 2HB LYS 3 1HB LYS 3 -5.669 7.353 -9.612 19 1HG LYS 3 2HG LYS 3 -6.634 7.261 -7.134 20 2HG LYS 3 1HG LYS 3 -7.932 6.368 -7.925 21 1HD LYS 3 2HD LYS 3 -5.003 5.697 -8.298 22 2HD LYS 3 1HD LYS 3 -6.018 4.937 -7.070 23 1HE LYS 3 2HE LYS 3 -7.118 3.661 -8.594 24 2HE LYS 3 1HE LYS 3 -7.205 4.972 -9.769 25 1HZ LYS 3 1HZ LYS 3 -4.539 3.992 -9.318 26 2HZ LYS 3 2HZ LYS 3 -5.356 4.287 -10.778 27 3HZ LYS 3 3HZ LYS 3 -5.584 2.819 -9.953 28 H ALA 4 H ALA 4 -6.574 11.329 -8.083 29 HA ALA 4 HA ALA 4 -3.705 10.809 -7.412 30 1HB ALA 4 1HB ALA 4 -3.147 12.877 -8.213 31 2HB ALA 4 2HB ALA 4 -4.650 13.609 -7.651 32 3HB ALA 4 3HB ALA 4 -4.627 12.682 -9.150 33 H GLU 5 H GLU 5 -3.552 10.493 -5.238 34 HA GLU 5 HA GLU 5 -5.218 12.242 -3.470 35 1HB GLU 5 2HB GLU 5 -5.261 10.478 -1.845 36 2HB GLU 5 1HB GLU 5 -5.672 9.739 -3.392 37 1HG GLU 5 2HG GLU 5 -2.834 9.705 -3.161 38 2HG GLU 5 1HG GLU 5 -3.496 9.097 -1.642 39 H ASN 6 H ASN 6 -4.164 12.964 -1.488 40 HA ASN 6 HA ASN 6 -1.183 12.802 -1.558 41 1HB ASN 6 2HB ASN 6 -2.474 15.038 -2.379 42 2HB ASN 6 1HB ASN 6 -2.392 15.359 -0.647 43 1HD2 ASN 6 1HD2 ASN 6 -0.873 16.918 -2.504 44 2HD2 ASN 6 2HD2 ASN 6 0.774 16.586 -2.264 45 H TYR 7 H TYR 7 -4.041 13.731 0.368 46 HA TYR 7 HA TYR 7 -2.503 13.166 2.841 47 1HB TYR 7 2HB TYR 7 -5.243 13.955 3.322 48 2HB TYR 7 1HB TYR 7 -3.758 14.779 3.780 49 HD1 TYR 7 1HD TYR 7 -6.381 14.482 1.211 50 HD2 TYR 7 2HD TYR 7 -2.798 16.536 2.392 51 HE1 TYR 7 1HE TYR 7 -6.805 16.212 -0.514 52 HE2 TYR 7 2HE TYR 7 -3.222 18.267 0.670 53 HH TYR 7 HH TYR 7 -6.181 18.217 -1.297 54 H GLU 8 H GLU 8 -5.070 11.900 0.848 55 HA GLU 8 HA GLU 8 -5.897 9.973 2.933 56 1HB GLU 8 2HB GLU 8 -6.862 10.614 0.147 57 2HB GLU 8 1HB GLU 8 -7.395 9.156 0.985 58 1HG GLU 8 2HG GLU 8 -8.108 10.602 2.912 59 2HG GLU 8 1HG GLU 8 -7.731 12.015 1.926 60 H LEU 9 H LEU 9 -3.224 9.621 2.294 61 HA LEU 9 HA LEU 9 -2.974 7.567 0.219 62 1HB LEU 9 2HB LEU 9 -1.155 9.244 0.883 63 2HB LEU 9 1HB LEU 9 -0.923 8.261 2.329 64 HG LEU 9 HG LEU 9 -1.032 6.623 -0.079 65 1HD1 LEU 9 1HD1 LEU 9 0.993 8.863 0.102 66 2HD1 LEU 9 2HD1 LEU 9 -0.048 8.450 -1.261 67 3HD1 LEU 9 3HD1 LEU 9 1.293 7.392 -0.824 68 1HD2 LEU 9 1HD2 LEU 9 -0.194 5.818 2.067 69 2HD2 LEU 9 2HD2 LEU 9 1.027 7.091 2.102 70 3HD2 LEU 9 3HD2 LEU 9 1.125 5.806 0.897 71 H TYR 10 H TYR 10 -3.684 7.678 3.601 72 HA TYR 10 HA TYR 10 -2.830 4.933 4.134 73 1HB TYR 10 2HB TYR 10 -4.814 6.222 5.914 74 2HB TYR 10 1HB TYR 10 -3.331 5.369 6.318 75 HD1 TYR 10 1HD TYR 10 -1.204 6.704 5.004 76 HD2 TYR 10 2HD TYR 10 -4.757 8.421 6.702 77 HE1 TYR 10 1HE TYR 10 -0.024 8.866 5.286 78 HE2 TYR 10 2HE TYR 10 -3.577 10.584 6.984 79 HH TYR 10 HH TYR 10 -0.145 10.881 6.496 80 H GLN 11 H GLN 11 -5.187 6.025 2.208 81 HA GLN 11 HA GLN 11 -7.333 4.219 3.164 82 1HB GLN 11 2HB GLN 11 -7.381 6.627 1.787 83 2HB GLN 11 1HB GLN 11 -7.667 5.442 0.512 84 1HG GLN 11 2HG GLN 11 -9.160 5.050 3.058 85 2HG GLN 11 1HG GLN 11 -9.657 6.409 2.049 86 1HE2 GLN 11 1HE2 GLN 11 -9.237 2.861 2.043 87 2HE2 GLN 11 2HE2 GLN 11 -10.256 2.579 0.715 88 H VAL 12 H VAL 12 -4.786 3.131 2.378 89 HA VAL 12 HA VAL 12 -5.341 1.811 -0.204 90 HB VAL 12 HB VAL 12 -3.154 2.739 -0.099 91 1HG1 VAL 12 1HG1 VAL 12 -3.014 3.120 2.285 92 2HG1 VAL 12 2HG1 VAL 12 -1.614 2.170 1.791 93 3HG1 VAL 12 3HG1 VAL 12 -2.969 1.387 2.603 94 1HG2 VAL 12 1HG2 VAL 12 -3.577 -0.082 -0.232 95 2HG2 VAL 12 2HG2 VAL 12 -2.053 0.189 0.613 96 3HG2 VAL 12 3HG2 VAL 12 -2.297 0.859 -1.000 97 H GLU 13 H GLU 13 -7.106 0.611 1.089 98 HA GLU 13 HA GLU 13 -7.844 -1.353 2.139 99 1HB GLU 13 2HB GLU 13 -5.694 -2.017 0.410 100 2HB GLU 13 1HB GLU 13 -5.459 -2.944 1.891 101 1HG GLU 13 2HG GLU 13 -7.863 -3.661 1.749 102 2HG GLU 13 1HG GLU 13 -7.956 -2.866 0.177 103 H LEU 14 H LEU 14 -6.867 0.532 3.927 104 HA LEU 14 HA LEU 14 -4.796 -0.115 5.662 105 1HB LEU 14 2HB LEU 14 -7.189 1.459 5.797 106 2HB LEU 14 1HB LEU 14 -7.031 0.556 7.303 107 HG LEU 14 HG LEU 14 -4.787 2.171 6.065 108 1HD1 LEU 14 1HD1 LEU 14 -7.116 3.027 7.543 109 2HD1 LEU 14 2HD1 LEU 14 -5.808 4.005 6.877 110 3HD1 LEU 14 3HD1 LEU 14 -5.660 3.320 8.495 111 1HD2 LEU 14 1HD2 LEU 14 -4.017 0.382 7.532 112 2HD2 LEU 14 2HD2 LEU 14 -5.179 0.856 8.771 113 3HD2 LEU 14 3HD2 LEU 14 -3.833 1.923 8.370 114 H GLY 15 H GLY 15 -5.109 -1.124 7.948 115 1HA GLY 15 2HA GLY 15 -5.781 -3.886 7.627 116 2HA GLY 15 1HA GLY 15 -5.464 -3.097 9.172 117 HA PRO 16 HA PRO 16 -10.149 -3.579 8.277 118 1HB PRO 16 2HB PRO 16 -10.626 -6.277 8.487 119 2HB PRO 16 1HB PRO 16 -10.336 -5.450 6.947 120 1HG PRO 16 2HG PRO 16 -8.509 -7.230 8.491 121 2HG PRO 16 1HG PRO 16 -8.548 -6.900 6.752 122 1HD PRO 16 2HD PRO 16 -6.731 -5.782 8.618 123 2HD PRO 16 1HD PRO 16 -6.990 -5.228 6.949 124 H GLY 17 H GLY 17 -9.675 -2.616 10.491 125 1HA GLY 17 2HA GLY 17 -10.178 -4.625 12.653 126 2HA GLY 17 1HA GLY 17 -9.218 -3.165 12.903 127 HA PRO 18 HA PRO 18 -13.709 -2.315 13.883 128 1HB PRO 18 2HB PRO 18 -13.423 -2.088 16.607 129 2HB PRO 18 1HB PRO 18 -13.835 -3.606 15.790 130 1HG PRO 18 2HG PRO 18 -11.246 -2.778 17.012 131 2HG PRO 18 1HG PRO 18 -11.898 -4.406 16.759 132 1HD PRO 18 2HD PRO 18 -9.925 -3.140 15.167 133 2HD PRO 18 1HD PRO 18 -10.811 -4.624 14.754 134 H SER 19 H SER 19 -11.066 -1.012 15.939 135 HA SER 19 HA SER 19 -10.403 1.204 16.333 136 1HB SER 19 2HB SER 19 -11.760 2.489 14.119 137 2HB SER 19 1HB SER 19 -10.031 2.295 14.398 138 HG SER 19 HG SER 19 -10.115 0.879 12.856 139 H GLY 20 H GLY 20 -12.899 0.202 17.434 140 1HA GLY 20 2HA GLY 20 -14.483 1.263 18.863 141 2HA GLY 20 1HA GLY 20 -14.136 2.797 18.064 142 H ASP 21 H ASP 21 -15.607 3.510 16.583 143 HA ASP 21 HA ASP 21 -17.628 1.527 15.611 144 1HB ASP 21 2HB ASP 21 -19.018 3.728 15.298 145 2HB ASP 21 1HB ASP 21 -18.871 3.028 16.911 146 H MET 22 H MET 22 -18.635 2.289 13.455 147 HA MET 22 HA MET 22 -16.520 2.589 11.521 148 1HB MET 22 2HB MET 22 -19.513 2.496 11.428 149 2HB MET 22 1HB MET 22 -18.648 3.093 10.011 150 1HG MET 22 2HG MET 22 -17.166 0.937 10.394 151 2HG MET 22 1HG MET 22 -18.595 0.363 11.252 152 1HE MET 22 1HE MET 22 -19.975 -1.523 9.220 153 2HE MET 22 2HE MET 22 -18.353 -1.419 9.899 154 3HE MET 22 3HE MET 22 -18.562 -1.567 8.157 155 H ALA 23 H ALA 23 -15.422 4.498 11.386 156 HA ALA 23 HA ALA 23 -16.485 6.852 10.336 157 1HB ALA 23 1HB ALA 23 -16.164 7.966 12.895 158 2HB ALA 23 2HB ALA 23 -17.149 6.525 13.141 159 3HB ALA 23 3HB ALA 23 -17.678 7.773 12.012 160 H ALA 24 H ALA 24 -14.332 6.509 9.417 161 HA ALA 24 HA ALA 24 -12.043 7.054 11.221 162 1HB ALA 24 1HB ALA 24 -11.191 5.492 9.805 163 2HB ALA 24 2HB ALA 24 -10.993 6.843 8.689 164 3HB ALA 24 3HB ALA 24 -12.417 5.807 8.576 165 H LYS 25 H LYS 25 -10.616 8.846 10.835 166 HA LYS 25 HA LYS 25 -11.395 10.856 8.830 167 1HB LYS 25 2HB LYS 25 -12.280 11.031 11.563 168 2HB LYS 25 1HB LYS 25 -11.138 12.335 11.237 169 1HG LYS 25 2HG LYS 25 -12.559 12.532 8.990 170 2HG LYS 25 1HG LYS 25 -13.806 11.800 10.002 171 1HD LYS 25 2HD LYS 25 -13.873 13.609 11.467 172 2HD LYS 25 1HD LYS 25 -12.232 14.120 11.072 173 1HE LYS 25 2HE LYS 25 -14.162 15.550 10.136 174 2HE LYS 25 1HE LYS 25 -12.900 15.065 9.005 175 1HZ LYS 25 1HZ LYS 25 -15.351 13.457 9.395 176 2HZ LYS 25 2HZ LYS 25 -14.246 13.404 8.105 177 3HZ LYS 25 3HZ LYS 25 -15.289 14.733 8.279 178 H MET 26 H MET 26 -9.232 10.329 8.086 179 HA MET 26 HA MET 26 -6.935 10.779 7.917 180 1HB MET 26 2HB MET 26 -8.072 13.068 8.971 181 2HB MET 26 1HB MET 26 -6.814 12.686 10.147 182 1HG MET 26 2HG MET 26 -5.170 12.499 8.284 183 2HG MET 26 1HG MET 26 -6.433 12.981 7.153 184 1HE MET 26 1HE MET 26 -4.809 15.494 6.444 185 2HE MET 26 2HE MET 26 -6.270 16.400 6.826 186 3HE MET 26 3HE MET 26 -6.399 14.746 6.236 187 H SER 27 H SER 27 -5.205 9.681 8.762 188 HA SER 27 HA SER 27 -5.482 8.701 11.572 189 1HB SER 27 2HB SER 27 -3.475 7.352 9.934 190 2HB SER 27 1HB SER 27 -4.817 6.668 10.846 191 HG SER 27 HG SER 27 -5.052 6.360 8.587 192 H LYS 28 H LYS 28 -4.220 9.890 12.923 193 HA LYS 28 HA LYS 28 -1.385 10.308 12.181 194 1HB LYS 28 2HB LYS 28 -3.013 12.353 11.639 195 2HB LYS 28 1HB LYS 28 -2.801 12.660 13.362 196 1HG LYS 28 2HG LYS 28 -0.309 12.014 11.917 197 2HG LYS 28 1HG LYS 28 -1.073 13.529 11.427 198 1HD LYS 28 2HD LYS 28 -0.113 14.464 13.241 199 2HD LYS 28 1HD LYS 28 -1.268 13.548 14.208 200 1HE LYS 28 2HE LYS 28 0.920 13.018 15.055 201 2HE LYS 28 1HE LYS 28 0.369 11.612 14.143 202 1HZ LYS 28 1HZ LYS 28 2.149 13.751 13.102 203 2HZ LYS 28 2HZ LYS 28 1.635 12.377 12.243 204 3HZ LYS 28 3HZ LYS 28 2.652 12.209 13.594 205 H LYS 29 H LYS 29 -0.943 8.793 13.874 206 HA LYS 29 HA LYS 29 -0.634 9.961 16.488 207 1HB LYS 29 2HB LYS 29 -3.015 9.554 16.720 208 2HB LYS 29 1HB LYS 29 -2.830 7.901 16.133 209 1HG LYS 29 2HG LYS 29 -2.062 7.138 18.137 210 2HG LYS 29 1HG LYS 29 -1.107 8.592 18.432 211 1HD LYS 29 2HD LYS 29 -2.714 8.976 20.017 212 2HD LYS 29 1HD LYS 29 -3.596 9.634 18.638 213 1HE LYS 29 2HE LYS 29 -5.196 8.089 18.973 214 2HE LYS 29 1HE LYS 29 -4.018 6.831 18.602 215 1HZ LYS 29 1HZ LYS 29 -3.305 7.283 21.059 216 2HZ LYS 29 2HZ LYS 29 -4.609 6.253 20.712 217 3HZ LYS 29 3HZ LYS 29 -4.895 7.853 21.207 218 H LYS 30 H LYS 30 -1.383 6.615 15.452 219 HA LYS 30 HA LYS 30 1.480 5.924 15.904 220 1HB LYS 30 2HB LYS 30 0.751 3.873 17.132 221 2HB LYS 30 1HB LYS 30 0.340 5.358 17.988 222 1HG LYS 30 2HG LYS 30 -1.948 5.252 16.983 223 2HG LYS 30 1HG LYS 30 -1.523 3.692 16.276 224 1HD LYS 30 2HD LYS 30 -1.709 4.397 19.213 225 2HD LYS 30 1HD LYS 30 -2.666 3.209 18.327 226 1HE LYS 30 2HE LYS 30 -1.124 1.765 19.225 227 2HE LYS 30 1HE LYS 30 -0.204 2.250 17.799 228 1HZ LYS 30 1HZ LYS 30 0.152 4.141 19.863 229 2HZ LYS 30 2HZ LYS 30 1.315 3.179 19.088 230 3HZ LYS 30 3HZ LYS 30 0.500 2.592 20.458 231 H ALA 31 H ALA 31 2.057 3.836 14.883 232 HA ALA 31 HA ALA 31 1.227 3.568 12.232 233 1HB ALA 31 1HB ALA 31 3.027 2.208 12.458 234 2HB ALA 31 2HB ALA 31 1.857 0.968 12.909 235 3HB ALA 31 3HB ALA 31 2.684 1.896 14.160 236 H GLY 32 H GLY 32 0.132 1.394 11.402 237 1HA GLY 32 2HA GLY 32 -2.355 0.975 13.013 238 2HA GLY 32 1HA GLY 32 -2.391 1.133 11.256 239 H ARG 33 H ARG 33 -3.511 -1.100 11.789 240 HA ARG 33 HA ARG 33 -1.574 -3.281 12.225 241 1HB ARG 33 2HB ARG 33 -4.040 -3.182 13.066 242 2HB ARG 33 1HB ARG 33 -4.453 -3.662 11.420 243 1HG ARG 33 2HG ARG 33 -3.340 -5.720 11.603 244 2HG ARG 33 1HG ARG 33 -2.356 -5.175 12.962 245 1HD ARG 33 2HD ARG 33 -5.299 -5.157 13.379 246 2HD ARG 33 1HD ARG 33 -4.532 -6.741 13.277 247 HE ARG 33 HE ARG 33 -4.452 -5.161 15.573 248 1HH1 ARG 33 1HH1 ARG 33 -2.620 -7.414 13.863 249 2HH1 ARG 33 2HH1 ARG 33 -1.179 -7.208 14.800 250 1HH2 ARG 33 1HH2 ARG 33 -2.408 -4.500 16.584 251 2HH2 ARG 33 2HH2 ARG 33 -1.059 -5.560 16.343 252 H GLY 34 H GLY 34 -1.038 -4.831 10.625 253 1HA GLY 34 2HA GLY 34 -0.766 -5.687 8.446 254 2HA GLY 34 1HA GLY 34 -2.154 -4.719 7.946 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.237 8.870 4.749 2 2H MET 1 2HT MET 1 11.981 10.474 5.249 3 3H MET 1 3HT MET 1 10.849 9.702 4.244 4 HA MET 1 HA MET 1 10.124 8.276 5.944 5 1HB MET 1 2HB MET 1 12.320 7.711 6.859 6 2HB MET 1 1HB MET 1 12.499 9.346 7.499 7 1HG MET 1 2HG MET 1 10.150 8.738 8.635 8 2HG MET 1 1HG MET 1 10.792 7.103 8.475 9 1HE MET 1 1HE MET 1 13.326 6.639 8.936 10 2HE MET 1 2HE MET 1 14.318 7.495 10.114 11 3HE MET 1 3HE MET 1 14.020 8.215 8.534 12 H GLY 2 H GLY 2 8.323 9.122 6.887 13 1HA GLY 2 2HA GLY 2 6.991 10.635 8.128 14 2HA GLY 2 1HA GLY 2 8.429 11.617 8.412 15 H LYS 3 H LYS 3 7.481 10.605 5.190 16 HA LYS 3 HA LYS 3 6.936 13.475 4.560 17 1HB LYS 3 2HB LYS 3 8.636 11.583 3.338 18 2HB LYS 3 1HB LYS 3 7.281 11.795 2.228 19 1HG LYS 3 2HG LYS 3 9.056 13.444 1.764 20 2HG LYS 3 1HG LYS 3 7.587 14.244 2.323 21 1HD LYS 3 2HD LYS 3 8.945 15.270 3.824 22 2HD LYS 3 1HD LYS 3 8.898 13.733 4.690 23 1HE LYS 3 2HE LYS 3 11.163 13.812 4.467 24 2HE LYS 3 1HE LYS 3 10.835 13.217 2.840 25 1HZ LYS 3 1HZ LYS 3 12.257 15.149 2.762 26 2HZ LYS 3 2HZ LYS 3 11.124 16.064 3.636 27 3HZ LYS 3 3HZ LYS 3 10.754 15.517 2.070 28 H ALA 4 H ALA 4 4.688 13.170 5.310 29 HA ALA 4 HA ALA 4 3.040 11.708 3.283 30 1HB ALA 4 1HB ALA 4 2.040 12.276 6.059 31 2HB ALA 4 2HB ALA 4 3.099 10.893 5.783 32 3HB ALA 4 3HB ALA 4 1.553 11.002 4.941 33 H GLU 5 H GLU 5 1.958 13.149 2.029 34 HA GLU 5 HA GLU 5 1.122 15.732 3.288 35 1HB GLU 5 2HB GLU 5 1.775 15.181 0.377 36 2HB GLU 5 1HB GLU 5 1.295 16.739 1.052 37 1HG GLU 5 2HG GLU 5 3.627 15.326 2.284 38 2HG GLU 5 1HG GLU 5 3.863 16.129 0.730 39 H ASN 6 H ASN 6 0.240 13.392 0.726 40 HA ASN 6 HA ASN 6 -2.393 14.364 0.288 41 1HB ASN 6 2HB ASN 6 -0.911 11.867 -0.264 42 2HB ASN 6 1HB ASN 6 -2.660 11.670 -0.131 43 1HD2 ASN 6 1HD2 ASN 6 -3.783 12.067 -2.039 44 2HD2 ASN 6 2HD2 ASN 6 -3.227 13.040 -3.315 45 H TYR 7 H TYR 7 -4.420 13.666 1.167 46 HA TYR 7 HA TYR 7 -4.235 12.857 3.996 47 1HB TYR 7 2HB TYR 7 -6.936 13.142 2.891 48 2HB TYR 7 1HB TYR 7 -6.195 13.958 4.261 49 HD1 TYR 7 1HD TYR 7 -4.709 15.955 3.867 50 HD2 TYR 7 2HD TYR 7 -7.080 14.190 0.750 51 HE1 TYR 7 1HE TYR 7 -4.449 18.011 2.505 52 HE2 TYR 7 2HE TYR 7 -6.822 16.246 -0.611 53 HH TYR 7 HH TYR 7 -5.673 19.160 0.661 54 H GLU 8 H GLU 8 -5.422 11.617 0.920 55 HA GLU 8 HA GLU 8 -6.519 9.205 2.215 56 1HB GLU 8 2HB GLU 8 -6.220 9.716 -0.751 57 2HB GLU 8 1HB GLU 8 -7.340 8.614 0.049 58 1HG GLU 8 2HG GLU 8 -7.942 11.031 1.237 59 2HG GLU 8 1HG GLU 8 -7.580 11.503 -0.424 60 H LEU 9 H LEU 9 -3.703 9.609 2.582 61 HA LEU 9 HA LEU 9 -2.204 8.030 0.675 62 1HB LEU 9 2HB LEU 9 -1.361 9.761 2.458 63 2HB LEU 9 1HB LEU 9 -1.363 8.370 3.542 64 HG LEU 9 HG LEU 9 0.842 8.595 2.511 65 1HD1 LEU 9 1HD1 LEU 9 -0.432 6.307 2.785 66 2HD1 LEU 9 2HD1 LEU 9 1.098 6.356 1.909 67 3HD1 LEU 9 3HD1 LEU 9 -0.425 6.316 1.021 68 1HD2 LEU 9 1HD2 LEU 9 -0.115 9.779 0.452 69 2HD2 LEU 9 2HD2 LEU 9 -0.510 8.176 -0.164 70 3HD2 LEU 9 3HD2 LEU 9 1.170 8.612 0.144 71 H TYR 10 H TYR 10 -3.188 7.314 4.053 72 HA TYR 10 HA TYR 10 -2.704 4.458 3.601 73 1HB TYR 10 2HB TYR 10 -4.206 5.290 6.007 74 2HB TYR 10 1HB TYR 10 -2.797 4.249 5.867 75 HD1 TYR 10 1HD TYR 10 -0.782 5.845 4.577 76 HD2 TYR 10 2HD TYR 10 -3.711 7.038 7.485 77 HE1 TYR 10 1HE TYR 10 0.684 7.715 5.286 78 HE2 TYR 10 2HE TYR 10 -2.244 8.909 8.194 79 HH TYR 10 HH TYR 10 -0.181 9.789 8.031 80 H GLN 11 H GLN 11 -5.064 6.365 2.510 81 HA GLN 11 HA GLN 11 -7.362 4.662 3.268 82 1HB GLN 11 2HB GLN 11 -7.650 7.133 3.059 83 2HB GLN 11 1HB GLN 11 -7.222 7.015 1.351 84 1HG GLN 11 2HG GLN 11 -9.255 6.183 0.771 85 2HG GLN 11 1HG GLN 11 -9.342 5.149 2.196 86 1HE2 GLN 11 1HE2 GLN 11 -11.434 5.776 2.949 87 2HE2 GLN 11 2HE2 GLN 11 -11.804 7.358 3.441 88 H VAL 12 H VAL 12 -5.201 3.446 1.853 89 HA VAL 12 HA VAL 12 -6.357 2.961 -0.833 90 HB VAL 12 HB VAL 12 -4.096 3.754 -0.945 91 1HG1 VAL 12 1HG1 VAL 12 -3.509 3.255 1.402 92 2HG1 VAL 12 2HG1 VAL 12 -2.271 2.683 0.285 93 3HG1 VAL 12 3HG1 VAL 12 -3.407 1.541 1.004 94 1HG2 VAL 12 1HG2 VAL 12 -4.916 1.311 -1.980 95 2HG2 VAL 12 2HG2 VAL 12 -3.360 0.935 -1.238 96 3HG2 VAL 12 3HG2 VAL 12 -3.470 2.196 -2.467 97 H GLU 13 H GLU 13 -7.950 1.479 0.211 98 HA GLU 13 HA GLU 13 -8.648 -0.642 0.954 99 1HB GLU 13 2HB GLU 13 -7.474 -1.073 -1.315 100 2HB GLU 13 1HB GLU 13 -6.132 -1.685 -0.350 101 1HG GLU 13 2HG GLU 13 -8.524 -2.821 0.701 102 2HG GLU 13 1HG GLU 13 -8.566 -3.024 -1.051 103 H LEU 14 H LEU 14 -7.938 0.248 3.158 104 HA LEU 14 HA LEU 14 -5.547 -0.159 4.453 105 1HB LEU 14 2HB LEU 14 -8.361 -0.116 5.280 106 2HB LEU 14 1HB LEU 14 -7.347 -1.078 6.353 107 HG LEU 14 HG LEU 14 -7.316 1.187 7.176 108 1HD1 LEU 14 1HD1 LEU 14 -4.739 1.112 5.648 109 2HD1 LEU 14 2HD1 LEU 14 -5.091 -0.198 6.777 110 3HD1 LEU 14 3HD1 LEU 14 -5.018 1.468 7.353 111 1HD2 LEU 14 1HD2 LEU 14 -6.583 1.927 4.326 112 2HD2 LEU 14 2HD2 LEU 14 -6.531 3.048 5.686 113 3HD2 LEU 14 3HD2 LEU 14 -8.068 2.352 5.176 114 H GLY 15 H GLY 15 -4.793 -1.943 5.875 115 1HA GLY 15 2HA GLY 15 -5.864 -4.610 5.592 116 2HA GLY 15 1HA GLY 15 -4.454 -4.383 4.556 117 HA PRO 16 HA PRO 16 -1.779 -4.863 7.999 118 1HB PRO 16 2HB PRO 16 0.132 -2.941 7.540 119 2HB PRO 16 1HB PRO 16 -0.003 -4.431 6.592 120 1HG PRO 16 2HG PRO 16 -0.764 -1.648 5.834 121 2HG PRO 16 1HG PRO 16 -0.286 -3.003 4.796 122 1HD PRO 16 2HD PRO 16 -2.932 -2.097 5.225 123 2HD PRO 16 1HD PRO 16 -2.465 -3.636 4.469 124 H GLY 17 H GLY 17 -3.629 -3.919 9.406 125 1HA GLY 17 2HA GLY 17 -3.055 -1.172 10.376 126 2HA GLY 17 1HA GLY 17 -4.499 -2.113 10.756 127 HA PRO 18 HA PRO 18 -1.103 -2.661 14.029 128 1HB PRO 18 2HB PRO 18 -1.577 -0.500 15.656 129 2HB PRO 18 1HB PRO 18 -0.390 -0.491 14.342 130 1HG PRO 18 2HG PRO 18 -3.064 0.816 14.462 131 2HG PRO 18 1HG PRO 18 -1.645 1.253 13.497 132 1HD PRO 18 2HD PRO 18 -3.947 -0.133 12.569 133 2HD PRO 18 1HD PRO 18 -2.415 0.073 11.692 134 H SER 19 H SER 19 -3.776 -3.718 13.742 135 HA SER 19 HA SER 19 -5.487 -3.186 15.947 136 1HB SER 19 2HB SER 19 -6.577 -5.248 15.405 137 2HB SER 19 1HB SER 19 -6.003 -4.583 13.878 138 HG SER 19 HG SER 19 -4.397 -6.052 13.832 139 H GLY 20 H GLY 20 -5.141 -3.535 18.081 140 1HA GLY 20 2HA GLY 20 -2.843 -5.169 18.930 141 2HA GLY 20 1HA GLY 20 -3.856 -4.179 19.982 142 H ASP 21 H ASP 21 -4.424 -5.734 21.505 143 HA ASP 21 HA ASP 21 -5.695 -8.232 20.485 144 1HB ASP 21 2HB ASP 21 -5.519 -8.831 23.018 145 2HB ASP 21 1HB ASP 21 -4.047 -8.844 22.045 146 H MET 22 H MET 22 -7.821 -7.620 20.082 147 HA MET 22 HA MET 22 -9.274 -5.941 22.004 148 1HB MET 22 2HB MET 22 -10.503 -7.469 19.708 149 2HB MET 22 1HB MET 22 -11.048 -5.957 20.436 150 1HG MET 22 2HG MET 22 -8.479 -5.341 19.633 151 2HG MET 22 1HG MET 22 -9.043 -6.399 18.340 152 1HE MET 22 1HE MET 22 -10.790 -5.076 16.214 153 2HE MET 22 2HE MET 22 -9.103 -5.335 16.650 154 3HE MET 22 3HE MET 22 -9.667 -3.709 16.275 155 H ALA 23 H ALA 23 -9.796 -9.246 20.699 156 HA ALA 23 HA ALA 23 -10.627 -11.161 21.780 157 1HB ALA 23 1HB ALA 23 -9.170 -9.786 23.752 158 2HB ALA 23 2HB ALA 23 -9.732 -11.457 23.829 159 3HB ALA 23 3HB ALA 23 -10.721 -10.162 24.502 160 H ALA 24 H ALA 24 -12.752 -11.071 21.022 161 HA ALA 24 HA ALA 24 -15.088 -10.942 21.306 162 1HB ALA 24 1HB ALA 24 -14.362 -11.276 23.798 163 2HB ALA 24 2HB ALA 24 -15.975 -10.652 23.457 164 3HB ALA 24 3HB ALA 24 -14.687 -9.548 23.942 165 H LYS 25 H LYS 25 -16.807 -9.116 21.689 166 HA LYS 25 HA LYS 25 -17.547 -6.942 21.191 167 1HB LYS 25 2HB LYS 25 -15.496 -6.509 22.859 168 2HB LYS 25 1HB LYS 25 -14.788 -5.821 21.397 169 1HG LYS 25 2HG LYS 25 -15.940 -4.031 22.508 170 2HG LYS 25 1HG LYS 25 -16.927 -4.485 21.118 171 1HD LYS 25 2HD LYS 25 -18.218 -6.020 22.687 172 2HD LYS 25 1HD LYS 25 -17.368 -5.231 24.017 173 1HE LYS 25 2HE LYS 25 -18.846 -3.539 23.951 174 2HE LYS 25 1HE LYS 25 -18.357 -3.185 22.294 175 1HZ LYS 25 1HZ LYS 25 -20.129 -4.245 21.450 176 2HZ LYS 25 2HZ LYS 25 -20.808 -3.971 22.983 177 3HZ LYS 25 3HZ LYS 25 -20.105 -5.474 22.618 178 H MET 26 H MET 26 -17.997 -7.306 18.997 179 HA MET 26 HA MET 26 -15.925 -6.280 17.122 180 1HB MET 26 2HB MET 26 -15.788 -8.737 17.032 181 2HB MET 26 1HB MET 26 -17.523 -8.829 16.721 182 1HG MET 26 2HG MET 26 -17.135 -7.396 14.671 183 2HG MET 26 1HG MET 26 -15.404 -7.601 14.940 184 1HE MET 26 1HE MET 26 -16.476 -8.341 12.248 185 2HE MET 26 2HE MET 26 -15.776 -9.933 11.969 186 3HE MET 26 3HE MET 26 -14.823 -8.687 12.772 187 H SER 27 H SER 27 -17.251 -4.360 17.036 188 HA SER 27 HA SER 27 -19.857 -4.766 15.621 189 1HB SER 27 2HB SER 27 -18.989 -2.479 17.415 190 2HB SER 27 1HB SER 27 -20.524 -2.566 16.558 191 HG SER 27 HG SER 27 -19.756 -4.728 18.157 192 H LYS 28 H LYS 28 -19.529 -4.359 13.482 193 HA LYS 28 HA LYS 28 -18.913 -3.191 11.540 194 1HB LYS 28 2HB LYS 28 -18.144 -0.921 13.392 195 2HB LYS 28 1HB LYS 28 -18.600 -0.815 11.691 196 1HG LYS 28 2HG LYS 28 -20.448 -1.828 13.871 197 2HG LYS 28 1HG LYS 28 -20.443 -0.165 13.280 198 1HD LYS 28 2HD LYS 28 -20.527 -2.046 11.072 199 2HD LYS 28 1HD LYS 28 -21.866 -2.321 12.186 200 1HE LYS 28 2HE LYS 28 -21.280 0.515 11.535 201 2HE LYS 28 1HE LYS 28 -21.944 -0.458 10.223 202 1HZ LYS 28 1HZ LYS 28 -23.499 0.730 11.934 203 2HZ LYS 28 2HZ LYS 28 -23.178 -0.649 12.874 204 3HZ LYS 28 3HZ LYS 28 -23.884 -0.810 11.338 205 H LYS 29 H LYS 29 -17.020 -3.210 10.349 206 HA LYS 29 HA LYS 29 -14.491 -3.482 11.918 207 1HB LYS 29 2HB LYS 29 -15.575 -5.219 10.074 208 2HB LYS 29 1HB LYS 29 -14.434 -4.297 9.093 209 1HG LYS 29 2HG LYS 29 -12.670 -5.326 10.044 210 2HG LYS 29 1HG LYS 29 -13.277 -4.985 11.666 211 1HD LYS 29 2HD LYS 29 -13.811 -7.158 11.888 212 2HD LYS 29 1HD LYS 29 -14.970 -6.977 10.571 213 1HE LYS 29 2HE LYS 29 -13.340 -7.587 8.928 214 2HE LYS 29 1HE LYS 29 -12.022 -7.458 10.093 215 1HZ LYS 29 1HZ LYS 29 -12.654 -9.391 11.154 216 2HZ LYS 29 2HZ LYS 29 -12.965 -9.768 9.527 217 3HZ LYS 29 3HZ LYS 29 -14.242 -9.337 10.561 218 H LYS 30 H LYS 30 -15.876 -0.982 10.856 219 HA LYS 30 HA LYS 30 -13.988 -0.047 8.793 220 1HB LYS 30 2HB LYS 30 -16.568 0.556 9.166 221 2HB LYS 30 1HB LYS 30 -15.865 1.822 10.174 222 1HG LYS 30 2HG LYS 30 -14.565 2.672 8.336 223 2HG LYS 30 1HG LYS 30 -14.987 1.290 7.325 224 1HD LYS 30 2HD LYS 30 -16.802 2.392 6.592 225 2HD LYS 30 1HD LYS 30 -17.422 2.449 8.242 226 1HE LYS 30 2HE LYS 30 -15.891 4.466 8.598 227 2HE LYS 30 1HE LYS 30 -15.668 4.481 6.848 228 1HZ LYS 30 1HZ LYS 30 -17.744 5.218 6.501 229 2HZ LYS 30 2HZ LYS 30 -17.639 5.758 8.109 230 3HZ LYS 30 3HZ LYS 30 -18.413 4.289 7.753 231 H ALA 31 H ALA 31 -12.805 2.053 9.193 232 HA ALA 31 HA ALA 31 -11.504 1.926 11.839 233 1HB ALA 31 1HB ALA 31 -9.714 2.548 10.629 234 2HB ALA 31 2HB ALA 31 -10.497 4.087 10.279 235 3HB ALA 31 3HB ALA 31 -10.726 2.714 9.195 236 H GLY 32 H GLY 32 -13.090 2.808 13.236 237 1HA GLY 32 2HA GLY 32 -13.560 4.867 14.458 238 2HA GLY 32 1HA GLY 32 -13.448 5.752 12.936 239 H ARG 33 H ARG 33 -15.626 6.544 13.878 240 HA ARG 33 HA ARG 33 -17.755 5.460 12.324 241 1HB ARG 33 2HB ARG 33 -17.638 3.594 13.938 242 2HB ARG 33 1HB ARG 33 -17.842 4.732 15.269 243 1HG ARG 33 2HG ARG 33 -20.019 5.450 14.205 244 2HG ARG 33 1HG ARG 33 -19.834 4.106 13.076 245 1HD ARG 33 2HD ARG 33 -20.181 3.986 16.076 246 2HD ARG 33 1HD ARG 33 -21.197 3.256 14.832 247 HE ARG 33 HE ARG 33 -18.664 2.113 14.490 248 1HH1 ARG 33 1HH1 ARG 33 -21.525 1.230 15.744 249 2HH1 ARG 33 2HH1 ARG 33 -20.918 0.249 17.035 250 1HH2 ARG 33 1HH2 ARG 33 -17.647 1.349 16.690 251 2HH2 ARG 33 2HH2 ARG 33 -18.722 0.314 17.569 252 H GLY 34 H GLY 34 -19.298 7.043 12.164 253 1HA GLY 34 2HA GLY 34 -20.575 8.940 12.735 254 2HA GLY 34 1HA GLY 34 -19.969 8.793 14.386 Start of MODEL 4 1 1H MET 1 1HT MET 1 -13.754 14.732 -6.159 2 2H MET 1 2HT MET 1 -15.386 14.795 -6.632 3 3H MET 1 3HT MET 1 -14.724 13.344 -6.049 4 HA MET 1 HA MET 1 -15.999 15.357 -4.599 5 1HB MET 1 2HB MET 1 -14.915 12.646 -4.249 6 2HB MET 1 1HB MET 1 -14.898 13.608 -2.770 7 1HG MET 1 2HG MET 1 -17.043 12.691 -2.698 8 2HG MET 1 1HG MET 1 -17.348 14.238 -3.490 9 1HE MET 1 1HE MET 1 -17.356 10.692 -3.373 10 2HE MET 1 2HE MET 1 -18.058 10.088 -4.871 11 3HE MET 1 3HE MET 1 -19.035 11.066 -3.781 12 H GLY 2 H GLY 2 -14.171 17.039 -5.253 13 1HA GLY 2 2HA GLY 2 -11.964 16.945 -3.253 14 2HA GLY 2 1HA GLY 2 -11.986 17.972 -4.688 15 H LYS 3 H LYS 3 -13.825 17.449 -1.663 16 HA LYS 3 HA LYS 3 -14.974 20.114 -1.726 17 1HB LYS 3 2HB LYS 3 -15.000 17.781 0.100 18 2HB LYS 3 1HB LYS 3 -15.208 19.351 0.878 19 1HG LYS 3 2HG LYS 3 -16.785 18.646 -1.590 20 2HG LYS 3 1HG LYS 3 -17.328 18.117 0.003 21 1HD LYS 3 2HD LYS 3 -17.173 20.507 0.774 22 2HD LYS 3 1HD LYS 3 -16.840 20.969 -0.896 23 1HE LYS 3 2HE LYS 3 -19.230 21.231 -0.417 24 2HE LYS 3 1HE LYS 3 -18.989 19.937 -1.590 25 1HZ LYS 3 1HZ LYS 3 -19.943 18.517 -0.209 26 2HZ LYS 3 2HZ LYS 3 -20.264 19.786 0.874 27 3HZ LYS 3 3HZ LYS 3 -18.830 18.885 1.016 28 H ALA 4 H ALA 4 -12.005 18.730 -0.557 29 HA ALA 4 HA ALA 4 -10.988 21.394 0.088 30 1HB ALA 4 1HB ALA 4 -11.822 21.188 2.241 31 2HB ALA 4 2HB ALA 4 -10.264 20.385 2.440 32 3HB ALA 4 3HB ALA 4 -11.729 19.427 2.221 33 H GLU 5 H GLU 5 -8.679 20.826 1.354 34 HA GLU 5 HA GLU 5 -7.305 19.070 -0.597 35 1HB GLU 5 2HB GLU 5 -6.636 21.512 0.516 36 2HB GLU 5 1HB GLU 5 -5.658 20.380 1.453 37 1HG GLU 5 2HG GLU 5 -5.764 20.500 -1.577 38 2HG GLU 5 1HG GLU 5 -4.462 21.150 -0.579 39 H ASN 6 H ASN 6 -7.659 16.958 0.128 40 HA ASN 6 HA ASN 6 -6.926 16.362 2.956 41 1HB ASN 6 2HB ASN 6 -7.991 14.065 2.204 42 2HB ASN 6 1HB ASN 6 -9.029 15.418 2.649 43 1HD2 ASN 6 1HD2 ASN 6 -7.490 13.896 -0.229 44 2HD2 ASN 6 2HD2 ASN 6 -8.709 14.365 -1.315 45 H TYR 7 H TYR 7 -5.810 14.156 3.197 46 HA TYR 7 HA TYR 7 -3.530 14.091 1.335 47 1HB TYR 7 2HB TYR 7 -3.646 12.089 3.499 48 2HB TYR 7 1HB TYR 7 -2.351 13.197 3.061 49 HD1 TYR 7 1HD TYR 7 -4.322 12.402 5.705 50 HD2 TYR 7 2HD TYR 7 -3.348 15.831 3.310 51 HE1 TYR 7 1HE TYR 7 -4.962 13.893 7.581 52 HE2 TYR 7 2HE TYR 7 -3.986 17.322 5.186 53 HH TYR 7 HH TYR 7 -5.266 15.994 8.235 54 H GLU 8 H GLU 8 -5.568 11.564 2.817 55 HA GLU 8 HA GLU 8 -6.422 9.577 1.904 56 1HB GLU 8 2HB GLU 8 -6.234 11.423 -0.423 57 2HB GLU 8 1HB GLU 8 -6.386 9.704 -0.790 58 1HG GLU 8 2HG GLU 8 -8.386 9.567 0.645 59 2HG GLU 8 1HG GLU 8 -8.235 11.283 1.022 60 H LEU 9 H LEU 9 -4.101 8.995 2.778 61 HA LEU 9 HA LEU 9 -2.542 7.836 0.500 62 1HB LEU 9 2HB LEU 9 -1.494 9.698 2.029 63 2HB LEU 9 1HB LEU 9 -1.321 8.383 3.193 64 HG LEU 9 HG LEU 9 -0.377 8.080 0.346 65 1HD1 LEU 9 1HD1 LEU 9 0.629 10.108 1.640 66 2HD1 LEU 9 2HD1 LEU 9 1.735 8.969 0.874 67 3HD1 LEU 9 3HD1 LEU 9 1.441 8.879 2.610 68 1HD2 LEU 9 1HD2 LEU 9 0.065 6.698 2.988 69 2HD2 LEU 9 2HD2 LEU 9 1.242 6.535 1.686 70 3HD2 LEU 9 3HD2 LEU 9 -0.419 5.996 1.445 71 H TYR 10 H TYR 10 -3.406 7.377 3.940 72 HA TYR 10 HA TYR 10 -2.693 4.535 3.785 73 1HB TYR 10 2HB TYR 10 -4.289 5.460 6.082 74 2HB TYR 10 1HB TYR 10 -2.784 4.552 6.055 75 HD1 TYR 10 1HD TYR 10 -0.799 6.076 4.837 76 HD2 TYR 10 2HD TYR 10 -4.103 7.511 7.177 77 HE1 TYR 10 1HE TYR 10 0.472 8.140 5.366 78 HE2 TYR 10 2HE TYR 10 -2.833 9.576 7.705 79 HH TYR 10 HH TYR 10 -0.703 10.471 7.710 80 H GLN 11 H GLN 11 -5.114 6.075 2.403 81 HA GLN 11 HA GLN 11 -7.335 4.365 3.352 82 1HB GLN 11 2HB GLN 11 -7.227 6.923 2.250 83 2HB GLN 11 1HB GLN 11 -7.821 5.922 0.923 84 1HG GLN 11 2HG GLN 11 -9.760 5.351 2.034 85 2HG GLN 11 1HG GLN 11 -9.010 5.478 3.625 86 1HE2 GLN 11 1HE2 GLN 11 -8.077 8.007 3.831 87 2HE2 GLN 11 2HE2 GLN 11 -9.292 9.157 3.550 88 H VAL 12 H VAL 12 -4.982 3.176 2.125 89 HA VAL 12 HA VAL 12 -6.085 2.141 -0.423 90 HB VAL 12 HB VAL 12 -3.917 3.162 -0.682 91 1HG1 VAL 12 1HG1 VAL 12 -3.266 3.026 1.705 92 2HG1 VAL 12 2HG1 VAL 12 -1.983 2.463 0.633 93 3HG1 VAL 12 3HG1 VAL 12 -2.973 1.297 1.510 94 1HG2 VAL 12 1HG2 VAL 12 -3.601 0.145 -0.577 95 2HG2 VAL 12 2HG2 VAL 12 -2.624 1.257 -1.532 96 3HG2 VAL 12 3HG2 VAL 12 -4.333 1.036 -1.910 97 H GLU 13 H GLU 13 -7.506 0.739 0.974 98 HA GLU 13 HA GLU 13 -7.983 -1.301 2.039 99 1HB GLU 13 2HB GLU 13 -6.906 -2.025 -0.163 100 2HB GLU 13 1HB GLU 13 -5.415 -2.255 0.752 101 1HG GLU 13 2HG GLU 13 -7.385 -3.521 2.288 102 2HG GLU 13 1HG GLU 13 -7.767 -3.959 0.622 103 H LEU 14 H LEU 14 -7.144 0.164 3.969 104 HA LEU 14 HA LEU 14 -4.672 -0.083 5.200 105 1HB LEU 14 2HB LEU 14 -7.431 0.360 6.123 106 2HB LEU 14 1HB LEU 14 -6.373 -0.332 7.354 107 HG LEU 14 HG LEU 14 -5.714 2.125 5.702 108 1HD1 LEU 14 1HD1 LEU 14 -7.563 1.972 7.733 109 2HD1 LEU 14 2HD1 LEU 14 -6.656 3.424 7.311 110 3HD1 LEU 14 3HD1 LEU 14 -6.089 2.378 8.612 111 1HD2 LEU 14 1HD2 LEU 14 -3.628 1.474 6.370 112 2HD2 LEU 14 2HD2 LEU 14 -4.253 0.433 7.649 113 3HD2 LEU 14 3HD2 LEU 14 -4.122 2.173 7.913 114 H GLY 15 H GLY 15 -4.062 -1.512 7.092 115 1HA GLY 15 2HA GLY 15 -3.912 -4.219 6.366 116 2HA GLY 15 1HA GLY 15 -3.704 -3.640 8.019 117 HA PRO 16 HA PRO 16 -7.475 -5.675 9.013 118 1HB PRO 16 2HB PRO 16 -7.962 -4.408 11.392 119 2HB PRO 16 1HB PRO 16 -6.720 -5.657 11.192 120 1HG PRO 16 2HG PRO 16 -6.388 -2.712 11.484 121 2HG PRO 16 1HG PRO 16 -5.253 -4.015 11.877 122 1HD PRO 16 2HD PRO 16 -5.176 -2.363 9.571 123 2HD PRO 16 1HD PRO 16 -4.230 -3.842 9.838 124 H GLY 17 H GLY 17 -9.566 -4.670 10.359 125 1HA GLY 17 2HA GLY 17 -10.735 -2.258 10.047 126 2HA GLY 17 1HA GLY 17 -10.789 -2.848 8.387 127 HA PRO 18 HA PRO 18 -14.523 -4.900 9.493 128 1HB PRO 18 2HB PRO 18 -14.687 -6.544 7.296 129 2HB PRO 18 1HB PRO 18 -15.066 -4.814 7.255 130 1HG PRO 18 2HG PRO 18 -12.663 -6.234 6.204 131 2HG PRO 18 1HG PRO 18 -13.385 -4.706 5.674 132 1HD PRO 18 2HD PRO 18 -11.082 -4.974 7.297 133 2HD PRO 18 1HD PRO 18 -12.006 -3.479 7.033 134 H SER 19 H SER 19 -11.566 -6.665 8.813 135 HA SER 19 HA SER 19 -12.222 -8.642 10.858 136 1HB SER 19 2HB SER 19 -12.712 -9.223 8.043 137 2HB SER 19 1HB SER 19 -11.554 -10.346 8.749 138 HG SER 19 HG SER 19 -14.240 -10.037 9.213 139 H GLY 20 H GLY 20 -10.334 -10.565 10.301 140 1HA GLY 20 2HA GLY 20 -7.877 -9.201 10.933 141 2HA GLY 20 1HA GLY 20 -8.028 -10.924 10.580 142 H ASP 21 H ASP 21 -7.452 -11.656 8.549 143 HA ASP 21 HA ASP 21 -6.747 -11.557 6.302 144 1HB ASP 21 2HB ASP 21 -8.599 -9.719 6.232 145 2HB ASP 21 1HB ASP 21 -7.246 -8.587 6.292 146 H MET 22 H MET 22 -4.590 -11.969 7.104 147 HA MET 22 HA MET 22 -2.869 -9.680 7.766 148 1HB MET 22 2HB MET 22 -1.896 -12.484 7.226 149 2HB MET 22 1HB MET 22 -1.221 -11.273 8.317 150 1HG MET 22 2HG MET 22 -2.450 -12.101 10.006 151 2HG MET 22 1HG MET 22 -3.925 -11.759 9.105 152 1HE MET 22 1HE MET 22 -2.764 -13.832 11.160 153 2HE MET 22 2HE MET 22 -1.501 -14.737 10.327 154 3HE MET 22 3HE MET 22 -3.040 -15.515 10.691 155 H ALA 23 H ALA 23 -3.168 -12.051 5.120 156 HA ALA 23 HA ALA 23 -2.183 -10.095 3.198 157 1HB ALA 23 1HB ALA 23 -0.502 -12.581 3.597 158 2HB ALA 23 2HB ALA 23 -0.084 -11.024 4.311 159 3HB ALA 23 3HB ALA 23 -0.154 -11.201 2.558 160 H ALA 24 H ALA 24 -4.385 -10.770 2.491 161 HA ALA 24 HA ALA 24 -4.574 -13.509 1.383 162 1HB ALA 24 1HB ALA 24 -6.706 -13.184 2.052 163 2HB ALA 24 2HB ALA 24 -6.878 -12.113 0.662 164 3HB ALA 24 3HB ALA 24 -6.454 -11.449 2.240 165 H LYS 25 H LYS 25 -3.300 -13.541 -0.474 166 HA LYS 25 HA LYS 25 -2.689 -13.076 -2.692 167 1HB LYS 25 2HB LYS 25 -5.310 -13.369 -2.763 168 2HB LYS 25 1HB LYS 25 -5.296 -11.631 -3.064 169 1HG LYS 25 2HG LYS 25 -3.434 -13.363 -4.644 170 2HG LYS 25 1HG LYS 25 -5.144 -13.351 -5.079 171 1HD LYS 25 2HD LYS 25 -4.684 -11.481 -6.262 172 2HD LYS 25 1HD LYS 25 -4.558 -10.661 -4.705 173 1HE LYS 25 2HE LYS 25 -2.389 -10.259 -5.147 174 2HE LYS 25 1HE LYS 25 -2.098 -11.997 -5.085 175 1HZ LYS 25 1HZ LYS 25 -1.376 -11.289 -7.189 176 2HZ LYS 25 2HZ LYS 25 -2.766 -10.346 -7.450 177 3HZ LYS 25 3HZ LYS 25 -2.871 -12.041 -7.462 178 H MET 26 H MET 26 -1.231 -11.443 -1.473 179 HA MET 26 HA MET 26 -1.749 -8.714 -1.206 180 1HB MET 26 2HB MET 26 0.407 -9.939 -0.637 181 2HB MET 26 1HB MET 26 0.838 -9.803 -2.342 182 1HG MET 26 2HG MET 26 1.536 -7.690 -2.019 183 2HG MET 26 1HG MET 26 -0.061 -7.240 -1.423 184 1HE MET 26 1HE MET 26 3.070 -9.488 0.769 185 2HE MET 26 2HE MET 26 3.813 -7.989 0.215 186 3HE MET 26 3HE MET 26 2.996 -9.037 -0.941 187 H SER 27 H SER 27 -2.703 -7.421 -2.704 188 HA SER 27 HA SER 27 -1.540 -7.359 -5.434 189 1HB SER 27 2HB SER 27 -3.791 -8.788 -5.098 190 2HB SER 27 1HB SER 27 -4.512 -7.188 -5.252 191 HG SER 27 HG SER 27 -2.517 -8.046 -7.046 192 H LYS 28 H LYS 28 -1.574 -5.291 -6.332 193 HA LYS 28 HA LYS 28 -3.219 -3.186 -5.100 194 1HB LYS 28 2HB LYS 28 -0.553 -3.630 -4.212 195 2HB LYS 28 1HB LYS 28 -0.539 -2.162 -5.189 196 1HG LYS 28 2HG LYS 28 -2.653 -1.495 -3.840 197 2HG LYS 28 1HG LYS 28 -2.143 -2.747 -2.707 198 1HD LYS 28 2HD LYS 28 -0.223 -0.617 -3.646 199 2HD LYS 28 1HD LYS 28 -1.299 -0.339 -2.276 200 1HE LYS 28 2HE LYS 28 -0.381 -2.271 -1.107 201 2HE LYS 28 1HE LYS 28 0.619 -2.677 -2.502 202 1HZ LYS 28 1HZ LYS 28 1.606 -0.390 -2.237 203 2HZ LYS 28 2HZ LYS 28 2.004 -1.515 -1.027 204 3HZ LYS 28 3HZ LYS 28 0.838 -0.317 -0.728 205 H LYS 29 H LYS 29 -3.835 -1.813 -6.704 206 HA LYS 29 HA LYS 29 -3.855 -0.704 -8.771 207 1HB LYS 29 2HB LYS 29 -1.090 -0.799 -7.943 208 2HB LYS 29 1HB LYS 29 -1.196 -0.976 -9.695 209 1HG LYS 29 2HG LYS 29 -2.120 1.118 -9.993 210 2HG LYS 29 1HG LYS 29 -2.902 1.112 -8.411 211 1HD LYS 29 2HD LYS 29 -0.456 1.168 -7.485 212 2HD LYS 29 1HD LYS 29 -0.042 1.743 -9.102 213 1HE LYS 29 2HE LYS 29 -0.517 3.783 -8.178 214 2HE LYS 29 1HE LYS 29 -2.170 3.330 -8.593 215 1HZ LYS 29 1HZ LYS 29 -1.677 2.138 -6.170 216 2HZ LYS 29 2HZ LYS 29 -2.628 3.519 -6.446 217 3HZ LYS 29 3HZ LYS 29 -0.989 3.682 -6.028 218 H LYS 30 H LYS 30 -4.780 -1.704 -10.479 219 HA LYS 30 HA LYS 30 -3.415 -3.408 -12.286 220 1HB LYS 30 2HB LYS 30 -4.628 -5.568 -11.742 221 2HB LYS 30 1HB LYS 30 -3.380 -5.109 -10.582 222 1HG LYS 30 2HG LYS 30 -5.150 -4.056 -9.164 223 2HG LYS 30 1HG LYS 30 -6.365 -4.669 -10.286 224 1HD LYS 30 2HD LYS 30 -4.946 -6.941 -9.808 225 2HD LYS 30 1HD LYS 30 -4.770 -6.119 -8.256 226 1HE LYS 30 2HE LYS 30 -6.826 -6.888 -7.739 227 2HE LYS 30 1HE LYS 30 -7.456 -5.750 -8.930 228 1HZ LYS 30 1HZ LYS 30 -8.275 -7.784 -9.632 229 2HZ LYS 30 2HZ LYS 30 -6.843 -8.617 -9.257 230 3HZ LYS 30 3HZ LYS 30 -6.901 -7.584 -10.604 231 H ALA 31 H ALA 31 -6.522 -2.613 -10.786 232 HA ALA 31 HA ALA 31 -7.925 -3.081 -13.350 233 1HB ALA 31 1HB ALA 31 -8.713 -3.394 -10.735 234 2HB ALA 31 2HB ALA 31 -9.817 -3.255 -12.102 235 3HB ALA 31 3HB ALA 31 -9.421 -1.830 -11.141 236 H GLY 32 H GLY 32 -6.915 -0.439 -11.235 237 1HA GLY 32 2HA GLY 32 -7.310 1.439 -13.483 238 2HA GLY 32 1HA GLY 32 -8.206 1.791 -12.003 239 H ARG 33 H ARG 33 -6.483 3.717 -12.677 240 HA ARG 33 HA ARG 33 -3.964 3.197 -11.171 241 1HB ARG 33 2HB ARG 33 -3.087 5.189 -12.262 242 2HB ARG 33 1HB ARG 33 -3.791 4.133 -13.488 243 1HG ARG 33 2HG ARG 33 -5.355 5.666 -14.045 244 2HG ARG 33 1HG ARG 33 -5.761 5.966 -12.356 245 1HD ARG 33 2HD ARG 33 -4.776 7.948 -13.637 246 2HD ARG 33 1HD ARG 33 -3.994 7.549 -12.107 247 HE ARG 33 HE ARG 33 -2.850 6.411 -14.602 248 1HH1 ARG 33 1HH2 ARG 33 -1.676 6.587 -11.718 249 2HH1 ARG 33 2HH2 ARG 33 -0.450 7.786 -11.971 250 1HH2 ARG 33 1HH1 ARG 33 -1.718 8.821 -15.028 251 2HH2 ARG 33 2HH1 ARG 33 -0.475 9.052 -13.843 252 H GLY 34 H GLY 34 -6.337 3.476 -9.664 253 1HA GLY 34 2HA GLY 34 -5.770 5.086 -7.568 254 2HA GLY 34 1HA GLY 34 -6.432 6.262 -8.705 Start of MODEL 5 1 1H MET 1 1HT MET 1 -15.586 13.747 -14.788 2 2H MET 1 2HT MET 1 -16.353 12.440 -14.019 3 3H MET 1 3HT MET 1 -15.262 13.416 -13.156 4 HA MET 1 HA MET 1 -16.764 15.324 -13.441 5 1HB MET 1 2HB MET 1 -18.234 13.220 -14.969 6 2HB MET 1 1HB MET 1 -19.192 14.370 -14.034 7 1HG MET 1 2HG MET 1 -17.759 16.199 -15.143 8 2HG MET 1 1HG MET 1 -17.254 14.944 -16.275 9 1HE MET 1 1HE MET 1 -19.704 17.591 -15.402 10 2HE MET 1 2HE MET 1 -20.417 16.297 -14.443 11 3HE MET 1 3HE MET 1 -21.308 16.969 -15.806 12 H GLY 2 H GLY 2 -17.449 15.714 -11.386 13 1HA GLY 2 2HA GLY 2 -19.033 15.093 -9.564 14 2HA GLY 2 1HA GLY 2 -18.567 13.414 -9.834 15 H LYS 3 H LYS 3 -18.096 15.933 -7.769 16 HA LYS 3 HA LYS 3 -16.509 16.361 -6.096 17 1HB LYS 3 2HB LYS 3 -15.623 13.544 -6.792 18 2HB LYS 3 1HB LYS 3 -15.180 14.430 -5.333 19 1HG LYS 3 2HG LYS 3 -17.143 13.942 -4.332 20 2HG LYS 3 1HG LYS 3 -18.066 14.416 -5.759 21 1HD LYS 3 2HD LYS 3 -17.370 12.202 -6.801 22 2HD LYS 3 1HD LYS 3 -16.769 11.739 -5.208 23 1HE LYS 3 2HE LYS 3 -18.868 11.497 -4.338 24 2HE LYS 3 1HE LYS 3 -19.521 12.841 -5.273 25 1HZ LYS 3 1HZ LYS 3 -19.082 10.049 -6.119 26 2HZ LYS 3 2HZ LYS 3 -19.199 11.298 -7.264 27 3HZ LYS 3 3HZ LYS 3 -20.497 10.977 -6.216 28 H ALA 4 H ALA 4 -13.913 16.053 -5.769 29 HA ALA 4 HA ALA 4 -12.553 16.434 -8.385 30 1HB ALA 4 1HB ALA 4 -12.261 18.378 -6.075 31 2HB ALA 4 2HB ALA 4 -13.263 18.682 -7.494 32 3HB ALA 4 3HB ALA 4 -11.518 18.507 -7.669 33 H GLU 5 H GLU 5 -11.629 16.977 -4.974 34 HA GLU 5 HA GLU 5 -9.310 15.175 -5.397 35 1HB GLU 5 2HB GLU 5 -9.082 17.476 -4.320 36 2HB GLU 5 1HB GLU 5 -9.956 16.817 -2.935 37 1HG GLU 5 2HG GLU 5 -8.241 15.302 -2.410 38 2HG GLU 5 1HG GLU 5 -7.539 15.393 -4.026 39 H ASN 6 H ASN 6 -8.938 13.364 -3.985 40 HA ASN 6 HA ASN 6 -11.042 12.635 -2.058 41 1HB ASN 6 2HB ASN 6 -11.323 11.787 -4.690 42 2HB ASN 6 1HB ASN 6 -10.571 10.406 -3.891 43 1HD2 ASN 6 1HD2 ASN 6 -11.772 9.344 -2.162 44 2HD2 ASN 6 2HD2 ASN 6 -13.419 9.657 -1.904 45 H TYR 7 H TYR 7 -8.227 11.373 -3.884 46 HA TYR 7 HA TYR 7 -7.319 9.372 -2.262 47 1HB TYR 7 2HB TYR 7 -5.982 11.452 -3.893 48 2HB TYR 7 1HB TYR 7 -4.961 10.597 -2.736 49 HD1 TYR 7 1HD TYR 7 -3.759 8.955 -3.896 50 HD2 TYR 7 2HD TYR 7 -7.936 9.508 -4.704 51 HE1 TYR 7 1HE TYR 7 -3.735 6.972 -5.372 52 HE2 TYR 7 2HE TYR 7 -7.920 7.531 -6.182 53 HH TYR 7 HH TYR 7 -6.576 5.472 -6.488 54 H GLU 8 H GLU 8 -5.566 9.378 -0.605 55 HA GLU 8 HA GLU 8 -5.311 11.780 1.060 56 1HB GLU 8 2HB GLU 8 -7.056 9.466 1.822 57 2HB GLU 8 1HB GLU 8 -6.119 10.264 3.086 58 1HG GLU 8 2HG GLU 8 -7.230 12.337 1.527 59 2HG GLU 8 1HG GLU 8 -8.530 11.170 1.780 60 H LEU 9 H LEU 9 -5.082 8.717 2.667 61 HA LEU 9 HA LEU 9 -2.142 8.678 2.156 62 1HB LEU 9 2HB LEU 9 -3.156 9.573 4.461 63 2HB LEU 9 1HB LEU 9 -3.221 7.855 4.821 64 HG LEU 9 HG LEU 9 -1.085 8.574 5.600 65 1HD1 LEU 9 1HD1 LEU 9 -0.904 7.296 2.870 66 2HD1 LEU 9 2HD1 LEU 9 -0.699 6.543 4.451 67 3HD1 LEU 9 3HD1 LEU 9 0.538 7.629 3.824 68 1HD2 LEU 9 1HD2 LEU 9 -1.405 10.562 3.621 69 2HD2 LEU 9 2HD2 LEU 9 0.077 9.700 3.209 70 3HD2 LEU 9 3HD2 LEU 9 -0.102 10.433 4.803 71 H TYR 10 H TYR 10 -2.513 6.313 4.313 72 HA TYR 10 HA TYR 10 -2.496 4.225 2.347 73 1HB TYR 10 2HB TYR 10 -2.835 2.774 4.510 74 2HB TYR 10 1HB TYR 10 -1.317 3.618 4.241 75 HD1 TYR 10 1HD TYR 10 -4.499 5.267 5.181 76 HD2 TYR 10 2HD TYR 10 -0.670 3.889 6.540 77 HE1 TYR 10 1HE TYR 10 -4.817 6.499 7.308 78 HE2 TYR 10 2HE TYR 10 -0.983 5.123 8.669 79 HH TYR 10 HH TYR 10 -3.945 7.018 9.274 80 H GLN 11 H GLN 11 -5.092 6.001 3.417 81 HA GLN 11 HA GLN 11 -7.000 3.738 3.424 82 1HB GLN 11 2HB GLN 11 -7.000 6.151 4.748 83 2HB GLN 11 1HB GLN 11 -8.072 6.488 3.387 84 1HG GLN 11 2HG GLN 11 -9.721 5.263 4.307 85 2HG GLN 11 1HG GLN 11 -8.647 3.874 4.486 86 1HE2 GLN 11 1HE2 GLN 11 -10.675 5.308 6.399 87 2HE2 GLN 11 2HE2 GLN 11 -9.785 5.487 7.832 88 H VAL 12 H VAL 12 -5.422 4.388 1.068 89 HA VAL 12 HA VAL 12 -7.470 5.406 -0.811 90 HB VAL 12 HB VAL 12 -5.388 6.591 -0.957 91 1HG1 VAL 12 1HG1 VAL 12 -4.019 4.816 0.145 92 2HG1 VAL 12 2HG1 VAL 12 -3.252 5.488 -1.292 93 3HG1 VAL 12 3HG1 VAL 12 -4.037 3.912 -1.368 94 1HG2 VAL 12 1HG2 VAL 12 -5.634 4.545 -3.184 95 2HG2 VAL 12 2HG2 VAL 12 -4.694 6.035 -3.290 96 3HG2 VAL 12 3HG2 VAL 12 -6.446 6.108 -3.110 97 H GLU 13 H GLU 13 -8.715 3.579 -1.264 98 HA GLU 13 HA GLU 13 -9.208 1.418 -2.062 99 1HB GLU 13 2HB GLU 13 -8.119 2.695 -4.051 100 2HB GLU 13 1HB GLU 13 -6.708 1.687 -3.727 101 1HG GLU 13 2HG GLU 13 -8.933 -0.052 -3.676 102 2HG GLU 13 1HG GLU 13 -9.155 0.985 -5.087 103 H LEU 14 H LEU 14 -7.409 1.619 0.286 104 HA LEU 14 HA LEU 14 -5.186 -0.066 0.209 105 1HB LEU 14 2HB LEU 14 -5.338 -0.177 2.529 106 2HB LEU 14 1HB LEU 14 -6.289 1.264 2.189 107 HG LEU 14 HG LEU 14 -7.335 -1.527 2.735 108 1HD1 LEU 14 1HD1 LEU 14 -6.841 -0.441 4.786 109 2HD1 LEU 14 2HD1 LEU 14 -8.567 -0.165 4.544 110 3HD1 LEU 14 3HD1 LEU 14 -7.409 1.118 4.191 111 1HD2 LEU 14 1HD2 LEU 14 -8.567 -0.272 0.904 112 2HD2 LEU 14 2HD2 LEU 14 -8.943 0.963 2.103 113 3HD2 LEU 14 3HD2 LEU 14 -9.549 -0.680 2.310 114 H GLY 15 H GLY 15 -5.296 -2.358 1.451 115 1HA GLY 15 2HA GLY 15 -7.435 -3.952 0.092 116 2HA GLY 15 1HA GLY 15 -5.761 -4.506 0.172 117 HA PRO 16 HA PRO 16 -6.566 -6.400 4.035 118 1HB PRO 16 2HB PRO 16 -4.128 -6.102 5.272 119 2HB PRO 16 1HB PRO 16 -4.425 -7.247 3.952 120 1HG PRO 16 2HG PRO 16 -2.978 -4.636 3.884 121 2HG PRO 16 1HG PRO 16 -2.763 -6.065 2.860 122 1HD PRO 16 2HD PRO 16 -4.145 -3.713 2.131 123 2HD PRO 16 1HD PRO 16 -4.231 -5.274 1.284 124 H GLY 17 H GLY 17 -8.080 -4.599 4.683 125 1HA GLY 17 2HA GLY 17 -6.876 -2.706 6.650 126 2HA GLY 17 1HA GLY 17 -8.459 -2.505 5.891 127 HA PRO 18 HA PRO 18 -9.382 -4.341 9.956 128 1HB PRO 18 2HB PRO 18 -11.620 -2.793 10.358 129 2HB PRO 18 1HB PRO 18 -9.982 -2.278 10.798 130 1HG PRO 18 2HG PRO 18 -11.678 -1.388 8.512 131 2HG PRO 18 1HG PRO 18 -10.378 -0.522 9.349 132 1HD PRO 18 2HD PRO 18 -10.162 -1.820 6.841 133 2HD PRO 18 1HD PRO 18 -8.811 -1.237 7.835 134 H SER 19 H SER 19 -11.489 -3.624 7.196 135 HA SER 19 HA SER 19 -12.990 -6.144 7.795 136 1HB SER 19 2HB SER 19 -14.179 -3.892 6.193 137 2HB SER 19 1HB SER 19 -14.999 -5.161 7.098 138 HG SER 19 HG SER 19 -13.555 -2.938 8.113 139 H GLY 20 H GLY 20 -13.907 -7.142 5.737 140 1HA GLY 20 2HA GLY 20 -12.122 -6.572 3.406 141 2HA GLY 20 1HA GLY 20 -12.440 -8.227 3.928 142 H ASP 21 H ASP 21 -14.393 -9.195 3.355 143 HA ASP 21 HA ASP 21 -15.889 -7.846 1.213 144 1HB ASP 21 2HB ASP 21 -15.202 -10.460 1.653 145 2HB ASP 21 1HB ASP 21 -16.877 -10.445 2.203 146 H MET 22 H MET 22 -16.274 -6.484 3.614 147 HA MET 22 HA MET 22 -18.560 -7.363 5.105 148 1HB MET 22 2HB MET 22 -18.684 -5.070 5.921 149 2HB MET 22 1HB MET 22 -16.988 -5.553 5.839 150 1HG MET 22 2HG MET 22 -16.587 -3.787 4.503 151 2HG MET 22 1HG MET 22 -17.652 -4.501 3.292 152 1HE MET 22 1HE MET 22 -18.146 -0.660 5.345 153 2HE MET 22 2HE MET 22 -16.844 -1.451 4.462 154 3HE MET 22 3HE MET 22 -17.185 -1.925 6.123 155 H ALA 23 H ALA 23 -20.772 -6.913 4.795 156 HA ALA 23 HA ALA 23 -21.558 -5.351 2.406 157 1HB ALA 23 1HB ALA 23 -22.984 -7.929 2.646 158 2HB ALA 23 2HB ALA 23 -21.296 -8.063 2.152 159 3HB ALA 23 3HB ALA 23 -22.417 -7.085 1.204 160 H ALA 24 H ALA 24 -22.432 -3.912 4.035 161 HA ALA 24 HA ALA 24 -24.934 -4.976 5.289 162 1HB ALA 24 1HB ALA 24 -22.987 -4.338 6.862 163 2HB ALA 24 2HB ALA 24 -24.569 -3.644 7.214 164 3HB ALA 24 3HB ALA 24 -23.338 -2.671 6.409 165 H LYS 25 H LYS 25 -24.138 -3.395 2.713 166 HA LYS 25 HA LYS 25 -26.516 -1.721 2.704 167 1HB LYS 25 2HB LYS 25 -25.148 0.378 2.111 168 2HB LYS 25 1HB LYS 25 -25.187 -0.087 3.811 169 1HG LYS 25 2HG LYS 25 -22.940 -0.189 3.794 170 2HG LYS 25 1HG LYS 25 -23.044 -1.520 2.642 171 1HD LYS 25 2HD LYS 25 -22.875 -0.069 0.776 172 2HD LYS 25 1HD LYS 25 -23.237 1.357 1.749 173 1HE LYS 25 2HE LYS 25 -21.037 0.478 3.049 174 2HE LYS 25 1HE LYS 25 -20.675 -0.113 1.427 175 1HZ LYS 25 1HZ LYS 25 -21.127 2.663 2.323 176 2HZ LYS 25 2HZ LYS 25 -21.336 2.230 0.694 177 3HZ LYS 25 3HZ LYS 25 -19.824 2.029 1.442 178 H MET 26 H MET 26 -26.684 -3.379 0.937 179 HA MET 26 HA MET 26 -25.690 -2.222 -1.589 180 1HB MET 26 2HB MET 26 -24.527 -4.582 -0.374 181 2HB MET 26 1HB MET 26 -25.283 -4.992 -1.915 182 1HG MET 26 2HG MET 26 -23.570 -2.535 -1.743 183 2HG MET 26 1HG MET 26 -22.794 -4.114 -1.858 184 1HE MET 26 1HE MET 26 -23.180 -5.758 -3.270 185 2HE MET 26 2HE MET 26 -23.190 -5.510 -5.016 186 3HE MET 26 3HE MET 26 -24.697 -5.867 -4.175 187 H SER 27 H SER 27 -27.181 -2.523 -3.226 188 HA SER 27 HA SER 27 -29.708 -3.847 -2.484 189 1HB SER 27 2HB SER 27 -29.263 -1.580 -3.854 190 2HB SER 27 1HB SER 27 -29.289 -2.706 -5.209 191 HG SER 27 HG SER 27 -31.270 -2.734 -3.194 192 H LYS 28 H LYS 28 -30.736 -5.040 -4.562 193 HA LYS 28 HA LYS 28 -28.694 -6.750 -5.873 194 1HB LYS 28 2HB LYS 28 -29.950 -7.640 -3.589 195 2HB LYS 28 1HB LYS 28 -30.999 -8.275 -4.856 196 1HG LYS 28 2HG LYS 28 -29.396 -9.971 -4.644 197 2HG LYS 28 1HG LYS 28 -28.758 -9.018 -5.986 198 1HD LYS 28 2HD LYS 28 -26.854 -8.793 -4.803 199 2HD LYS 28 1HD LYS 28 -27.756 -7.775 -3.680 200 1HE LYS 28 2HE LYS 28 -27.860 -9.402 -2.097 201 2HE LYS 28 1HE LYS 28 -28.167 -10.666 -3.287 202 1HZ LYS 28 1HZ LYS 28 -25.912 -10.893 -3.742 203 2HZ LYS 28 2HZ LYS 28 -25.958 -10.714 -2.053 204 3HZ LYS 28 3HZ LYS 28 -25.509 -9.403 -3.037 205 H LYS 29 H LYS 29 -29.399 -5.618 -7.794 206 HA LYS 29 HA LYS 29 -31.750 -6.863 -9.031 207 1HB LYS 29 2HB LYS 29 -32.650 -4.859 -7.783 208 2HB LYS 29 1HB LYS 29 -31.636 -3.842 -8.807 209 1HG LYS 29 2HG LYS 29 -33.489 -3.809 -10.143 210 2HG LYS 29 1HG LYS 29 -32.850 -5.356 -10.702 211 1HD LYS 29 2HD LYS 29 -34.316 -6.593 -9.312 212 2HD LYS 29 1HD LYS 29 -34.706 -5.183 -8.327 213 1HE LYS 29 2HE LYS 29 -35.513 -5.667 -11.207 214 2HE LYS 29 1HE LYS 29 -36.579 -5.610 -9.804 215 1HZ LYS 29 1HZ LYS 29 -36.810 -3.480 -10.449 216 2HZ LYS 29 2HZ LYS 29 -35.327 -3.442 -11.278 217 3HZ LYS 29 3HZ LYS 29 -35.365 -3.260 -9.588 218 H LYS 30 H LYS 30 -29.366 -7.406 -9.946 219 HA LYS 30 HA LYS 30 -28.420 -5.401 -11.876 220 1HB LYS 30 2HB LYS 30 -27.474 -7.999 -10.824 221 2HB LYS 30 1HB LYS 30 -27.074 -7.687 -12.513 222 1HG LYS 30 2HG LYS 30 -26.507 -5.264 -11.364 223 2HG LYS 30 1HG LYS 30 -26.062 -6.379 -10.071 224 1HD LYS 30 2HD LYS 30 -25.139 -7.394 -12.613 225 2HD LYS 30 1HD LYS 30 -24.550 -5.751 -12.369 226 1HE LYS 30 2HE LYS 30 -24.269 -8.039 -10.398 227 2HE LYS 30 1HE LYS 30 -22.979 -7.384 -11.404 228 1HZ LYS 30 1HZ LYS 30 -22.603 -5.918 -9.807 229 2HZ LYS 30 2HZ LYS 30 -23.961 -6.435 -8.926 230 3HZ LYS 30 3HZ LYS 30 -24.122 -5.228 -10.110 231 H ALA 31 H ALA 31 -30.562 -8.126 -11.814 232 HA ALA 31 HA ALA 31 -31.894 -9.074 -13.497 233 1HB ALA 31 1HB ALA 31 -31.767 -7.419 -15.682 234 2HB ALA 31 2HB ALA 31 -31.344 -6.313 -14.375 235 3HB ALA 31 3HB ALA 31 -32.870 -7.195 -14.324 236 H GLY 32 H GLY 32 -31.673 -10.308 -15.470 237 1HA GLY 32 2HA GLY 32 -29.497 -10.178 -17.267 238 2HA GLY 32 1HA GLY 32 -29.019 -11.268 -15.963 239 H ARG 33 H ARG 33 -31.238 -10.814 -18.642 240 HA ARG 33 HA ARG 33 -32.710 -12.320 -19.691 241 1HB ARG 33 2HB ARG 33 -30.320 -13.304 -19.988 242 2HB ARG 33 1HB ARG 33 -30.829 -14.489 -18.782 243 1HG ARG 33 2HG ARG 33 -32.839 -14.982 -20.208 244 2HG ARG 33 1HG ARG 33 -32.159 -13.924 -21.446 245 1HD ARG 33 2HD ARG 33 -30.931 -16.467 -20.349 246 2HD ARG 33 1HD ARG 33 -31.524 -16.194 -21.986 247 HE ARG 33 HE ARG 33 -29.490 -14.267 -21.366 248 1HH1 ARG 33 1HH2 ARG 33 -29.856 -17.672 -21.667 249 2HH1 ARG 33 2HH2 ARG 33 -28.370 -17.894 -22.529 250 1HH2 ARG 33 1HH1 ARG 33 -27.622 -14.510 -22.644 251 2HH2 ARG 33 2HH1 ARG 33 -27.104 -16.105 -23.079 252 H GLY 34 H GLY 34 -32.984 -11.860 -16.703 253 1HA GLY 34 2HA GLY 34 -35.020 -13.901 -16.267 254 2HA GLY 34 1HA GLY 34 -33.630 -14.081 -15.195 Start of MODEL 6 1 1H MET 1 1HT MET 1 -7.315 27.093 -12.491 2 2H MET 1 2HT MET 1 -6.436 27.016 -11.039 3 3H MET 1 3HT MET 1 -7.088 25.601 -11.718 4 HA MET 1 HA MET 1 -5.601 25.700 -13.566 5 1HB MET 1 2HB MET 1 -5.353 28.458 -12.623 6 2HB MET 1 1HB MET 1 -3.787 27.714 -12.946 7 1HG MET 1 2HG MET 1 -5.841 27.148 -14.984 8 2HG MET 1 1HG MET 1 -5.385 28.848 -14.865 9 1HE MET 1 1HE MET 1 -3.458 25.972 -17.404 10 2HE MET 1 2HE MET 1 -5.092 26.567 -17.121 11 3HE MET 1 3HE MET 1 -4.422 25.320 -16.072 12 H GLY 2 H GLY 2 -5.757 25.027 -10.527 13 1HA GLY 2 2HA GLY 2 -3.376 23.501 -10.365 14 2HA GLY 2 1HA GLY 2 -3.088 25.012 -9.501 15 H LYS 3 H LYS 3 -3.473 22.138 -8.554 16 HA LYS 3 HA LYS 3 -5.457 22.818 -6.440 17 1HB LYS 3 2HB LYS 3 -6.133 21.126 -8.478 18 2HB LYS 3 1HB LYS 3 -5.464 19.991 -7.305 19 1HG LYS 3 2HG LYS 3 -6.985 21.554 -5.674 20 2HG LYS 3 1HG LYS 3 -7.932 21.615 -7.162 21 1HD LYS 3 2HD LYS 3 -8.524 19.425 -7.020 22 2HD LYS 3 1HD LYS 3 -6.921 18.931 -6.475 23 1HE LYS 3 2HE LYS 3 -7.425 19.252 -4.246 24 2HE LYS 3 1HE LYS 3 -8.586 20.535 -4.586 25 1HZ LYS 3 1HZ LYS 3 -9.855 18.564 -5.727 26 2HZ LYS 3 2HZ LYS 3 -9.995 18.849 -4.058 27 3HZ LYS 3 3HZ LYS 3 -8.956 17.633 -4.631 28 H ALA 4 H ALA 4 -5.163 21.464 -4.485 29 HA ALA 4 HA ALA 4 -2.932 19.671 -4.208 30 1HB ALA 4 1HB ALA 4 -1.292 21.005 -3.200 31 2HB ALA 4 2HB ALA 4 -2.437 22.291 -2.816 32 3HB ALA 4 3HB ALA 4 -1.892 22.061 -4.478 33 H GLU 5 H GLU 5 -5.304 19.067 -3.356 34 HA GLU 5 HA GLU 5 -5.123 19.286 -0.413 35 1HB GLU 5 2HB GLU 5 -6.611 21.163 -1.249 36 2HB GLU 5 1HB GLU 5 -7.709 19.922 -1.854 37 1HG GLU 5 2HG GLU 5 -7.446 18.985 0.626 38 2HG GLU 5 1HG GLU 5 -7.068 20.675 0.968 39 H ASN 6 H ASN 6 -4.477 16.991 -1.368 40 HA ASN 6 HA ASN 6 -6.861 15.277 -0.968 41 1HB ASN 6 2HB ASN 6 -5.863 15.766 -3.535 42 2HB ASN 6 1HB ASN 6 -5.179 14.203 -3.089 43 1HD2 ASN 6 1HD2 ASN 6 -6.541 12.693 -4.099 44 2HD2 ASN 6 2HD2 ASN 6 -8.232 12.674 -3.945 45 H TYR 7 H TYR 7 -6.208 14.076 0.754 46 HA TYR 7 HA TYR 7 -3.355 13.311 0.978 47 1HB TYR 7 2HB TYR 7 -5.022 12.332 3.137 48 2HB TYR 7 1HB TYR 7 -3.670 13.452 3.201 49 HD1 TYR 7 1HD TYR 7 -7.259 13.103 3.334 50 HD2 TYR 7 2HD TYR 7 -4.074 15.906 2.662 51 HE1 TYR 7 1HE TYR 7 -8.825 14.982 3.741 52 HE2 TYR 7 2HE TYR 7 -5.642 17.785 3.069 53 HH TYR 7 HH TYR 7 -7.915 18.011 4.450 54 H GLU 8 H GLU 8 -6.231 11.497 1.994 55 HA GLU 8 HA GLU 8 -6.626 9.173 1.806 56 1HB GLU 8 2HB GLU 8 -5.986 9.966 -1.050 57 2HB GLU 8 1HB GLU 8 -6.765 8.454 -0.583 58 1HG GLU 8 2HG GLU 8 -8.412 10.083 0.706 59 2HG GLU 8 1HG GLU 8 -7.838 11.250 -0.486 60 H LEU 9 H LEU 9 -4.016 9.616 2.724 61 HA LEU 9 HA LEU 9 -2.033 8.301 1.107 62 1HB LEU 9 2HB LEU 9 -1.524 9.823 3.030 63 2HB LEU 9 1HB LEU 9 -2.081 8.568 4.129 64 HG LEU 9 HG LEU 9 -0.046 7.821 2.072 65 1HD1 LEU 9 1HD1 LEU 9 0.514 9.430 4.581 66 2HD1 LEU 9 2HD1 LEU 9 0.903 9.881 2.921 67 3HD1 LEU 9 3HD1 LEU 9 1.749 8.540 3.690 68 1HD2 LEU 9 1HD2 LEU 9 -1.033 6.916 4.724 69 2HD2 LEU 9 2HD2 LEU 9 0.696 6.714 4.439 70 3HD2 LEU 9 3HD2 LEU 9 -0.471 5.965 3.348 71 H TYR 10 H TYR 10 -2.845 6.955 4.286 72 HA TYR 10 HA TYR 10 -2.607 4.279 3.224 73 1HB TYR 10 2HB TYR 10 -3.391 3.644 5.577 74 2HB TYR 10 1HB TYR 10 -1.858 4.488 5.433 75 HD1 TYR 10 1HD TYR 10 -4.844 6.487 4.823 76 HD2 TYR 10 2HD TYR 10 -2.152 5.076 7.854 77 HE1 TYR 10 1HE TYR 10 -5.681 8.228 6.374 78 HE2 TYR 10 2HE TYR 10 -2.982 6.825 9.404 79 HH TYR 10 HH TYR 10 -5.442 9.185 8.364 80 H GLN 11 H GLN 11 -5.067 6.381 2.837 81 HA GLN 11 HA GLN 11 -7.243 4.422 3.317 82 1HB GLN 11 2HB GLN 11 -7.116 7.228 3.405 83 2HB GLN 11 1HB GLN 11 -8.031 6.862 1.941 84 1HG GLN 11 2HG GLN 11 -8.620 5.692 4.676 85 2HG GLN 11 1HG GLN 11 -9.490 7.047 3.957 86 1HE2 GLN 11 1HE2 GLN 11 -11.103 6.572 2.388 87 2HE2 GLN 11 2HE2 GLN 11 -11.470 4.998 1.872 88 H VAL 12 H VAL 12 -5.166 3.938 1.342 89 HA VAL 12 HA VAL 12 -6.604 4.253 -1.224 90 HB VAL 12 HB VAL 12 -4.345 4.996 -1.338 91 1HG1 VAL 12 1HG1 VAL 12 -3.506 3.954 0.684 92 2HG1 VAL 12 2HG1 VAL 12 -2.466 3.498 -0.665 93 3HG1 VAL 12 3HG1 VAL 12 -3.649 2.351 -0.037 94 1HG2 VAL 12 1HG2 VAL 12 -4.298 2.164 -2.413 95 2HG2 VAL 12 2HG2 VAL 12 -3.439 3.566 -3.050 96 3HG2 VAL 12 3HG2 VAL 12 -5.194 3.470 -3.190 97 H GLU 13 H GLU 13 -8.174 2.558 -0.838 98 HA GLU 13 HA GLU 13 -8.923 0.322 -0.715 99 1HB GLU 13 2HB GLU 13 -6.702 0.416 -2.726 100 2HB GLU 13 1HB GLU 13 -7.387 -1.152 -2.296 101 1HG GLU 13 2HG GLU 13 -9.148 1.183 -3.049 102 2HG GLU 13 1HG GLU 13 -8.472 0.104 -4.272 103 H LEU 14 H LEU 14 -7.483 0.901 1.553 104 HA LEU 14 HA LEU 14 -5.187 -0.539 2.183 105 1HB LEU 14 2HB LEU 14 -7.421 0.581 3.652 106 2HB LEU 14 1HB LEU 14 -6.891 -0.932 4.390 107 HG LEU 14 HG LEU 14 -5.034 1.347 3.647 108 1HD1 LEU 14 1HD1 LEU 14 -6.458 0.620 6.199 109 2HD1 LEU 14 2HD1 LEU 14 -6.277 2.205 5.449 110 3HD1 LEU 14 3HD1 LEU 14 -4.902 1.448 6.251 111 1HD2 LEU 14 1HD2 LEU 14 -4.631 -1.413 4.365 112 2HD2 LEU 14 2HD2 LEU 14 -3.990 -0.381 5.644 113 3HD2 LEU 14 3HD2 LEU 14 -3.420 -0.189 3.986 114 H GLY 15 H GLY 15 -4.819 -2.688 2.989 115 1HA GLY 15 2HA GLY 15 -6.909 -4.642 2.118 116 2HA GLY 15 1HA GLY 15 -5.179 -4.988 2.152 117 HA PRO 16 HA PRO 16 -7.295 -5.991 6.280 118 1HB PRO 16 2HB PRO 16 -8.049 -8.598 5.837 119 2HB PRO 16 1HB PRO 16 -9.122 -7.211 5.581 120 1HG PRO 16 2HG PRO 16 -7.726 -8.900 3.559 121 2HG PRO 16 1HG PRO 16 -9.226 -7.971 3.401 122 1HD PRO 16 2HD PRO 16 -6.685 -7.193 2.425 123 2HD PRO 16 1HD PRO 16 -8.112 -6.145 2.576 124 H GLY 17 H GLY 17 -4.907 -5.855 6.673 125 1HA GLY 17 2HA GLY 17 -3.722 -8.586 6.940 126 2HA GLY 17 1HA GLY 17 -2.751 -7.238 6.344 127 HA PRO 18 HA PRO 18 -2.766 -7.395 11.053 128 1HB PRO 18 2HB PRO 18 -0.359 -8.665 11.438 129 2HB PRO 18 1HB PRO 18 -1.914 -9.513 11.368 130 1HG PRO 18 2HG PRO 18 0.250 -9.391 9.321 131 2HG PRO 18 1HG PRO 18 -0.975 -10.642 9.585 132 1HD PRO 18 2HD PRO 18 -1.042 -8.646 7.574 133 2HD PRO 18 1HD PRO 18 -2.392 -9.700 8.049 134 H SER 19 H SER 19 0.009 -7.023 8.832 135 HA SER 19 HA SER 19 1.217 -4.959 10.539 136 1HB SER 19 2HB SER 19 2.470 -6.659 9.037 137 2HB SER 19 1HB SER 19 2.031 -5.595 7.704 138 HG SER 19 HG SER 19 3.180 -3.961 8.643 139 H GLY 20 H GLY 20 1.393 -2.736 9.946 140 1HA GLY 20 2HA GLY 20 0.135 -1.728 7.522 141 2HA GLY 20 1HA GLY 20 -0.834 -1.425 8.963 142 H ASP 21 H ASP 21 -0.391 0.891 8.419 143 HA ASP 21 HA ASP 21 0.731 2.898 8.876 144 1HB ASP 21 2HB ASP 21 2.356 1.128 10.730 145 2HB ASP 21 1HB ASP 21 2.295 2.891 10.775 146 H MET 22 H MET 22 2.092 3.812 7.427 147 HA MET 22 HA MET 22 4.314 2.178 6.332 148 1HB MET 22 2HB MET 22 3.140 4.830 5.443 149 2HB MET 22 1HB MET 22 4.450 3.985 4.618 150 1HG MET 22 2HG MET 22 2.703 1.966 4.720 151 2HG MET 22 1HG MET 22 1.549 3.297 4.774 152 1HE MET 22 1HE MET 22 2.676 0.871 2.435 153 2HE MET 22 2HE MET 22 4.255 1.416 3.000 154 3HE MET 22 3HE MET 22 3.814 1.620 1.306 155 H ALA 23 H ALA 23 5.671 2.393 8.254 156 HA ALA 23 HA ALA 23 6.908 5.110 8.475 157 1HB ALA 23 1HB ALA 23 7.312 3.323 10.766 158 2HB ALA 23 2HB ALA 23 5.617 3.722 10.491 159 3HB ALA 23 3HB ALA 23 6.797 5.009 10.737 160 H ALA 24 H ALA 24 8.080 3.837 6.555 161 HA ALA 24 HA ALA 24 10.717 3.194 7.521 162 1HB ALA 24 1HB ALA 24 10.704 0.812 6.618 163 2HB ALA 24 2HB ALA 24 8.944 0.919 6.606 164 3HB ALA 24 3HB ALA 24 9.825 1.053 8.127 165 H LYS 25 H LYS 25 8.372 2.906 4.869 166 HA LYS 25 HA LYS 25 10.556 3.761 3.015 167 1HB LYS 25 2HB LYS 25 8.482 1.600 2.653 168 2HB LYS 25 1HB LYS 25 9.220 2.396 1.263 169 1HG LYS 25 2HG LYS 25 11.473 1.806 2.185 170 2HG LYS 25 1HG LYS 25 10.667 0.893 3.462 171 1HD LYS 25 2HD LYS 25 10.151 -0.829 2.074 172 2HD LYS 25 1HD LYS 25 9.722 0.250 0.745 173 1HE LYS 25 2HE LYS 25 12.579 0.330 1.338 174 2HE LYS 25 1HE LYS 25 12.035 -1.294 0.914 175 1HZ LYS 25 1HZ LYS 25 11.810 -0.692 -1.191 176 2HZ LYS 25 2HZ LYS 25 12.535 0.795 -0.812 177 3HZ LYS 25 3HZ LYS 25 10.843 0.640 -0.781 178 H MET 26 H MET 26 9.316 5.832 3.888 179 HA MET 26 HA MET 26 6.885 6.320 2.233 180 1HB MET 26 2HB MET 26 7.470 6.965 4.875 181 2HB MET 26 1HB MET 26 7.717 8.485 4.017 182 1HG MET 26 2HG MET 26 5.469 8.123 2.915 183 2HG MET 26 1HG MET 26 5.226 6.765 4.015 184 1HE MET 26 1HE MET 26 4.369 7.194 6.696 185 2HE MET 26 2HE MET 26 3.509 7.140 5.160 186 3HE MET 26 3HE MET 26 3.127 8.400 6.332 187 H SER 27 H SER 27 6.821 8.710 1.391 188 HA SER 27 HA SER 27 9.381 9.935 0.756 189 1HB SER 27 2HB SER 27 7.932 8.966 -1.677 190 2HB SER 27 1HB SER 27 9.639 9.348 -1.472 191 HG SER 27 HG SER 27 8.616 6.994 -1.448 192 H LYS 28 H LYS 28 8.885 11.637 -1.152 193 HA LYS 28 HA LYS 28 6.497 13.108 -0.218 194 1HB LYS 28 2HB LYS 28 8.848 14.129 -0.575 195 2HB LYS 28 1HB LYS 28 8.466 14.065 -2.295 196 1HG LYS 28 2HG LYS 28 6.173 15.163 -1.221 197 2HG LYS 28 1HG LYS 28 7.441 15.875 -0.222 198 1HD LYS 28 2HD LYS 28 8.212 15.851 -3.022 199 2HD LYS 28 1HD LYS 28 6.683 16.701 -2.791 200 1HE LYS 28 2HE LYS 28 8.370 18.353 -2.476 201 2HE LYS 28 1HE LYS 28 7.832 17.924 -0.853 202 1HZ LYS 28 1HZ LYS 28 9.772 16.926 -0.369 203 2HZ LYS 28 2HZ LYS 28 10.380 17.946 -1.585 204 3HZ LYS 28 3HZ LYS 28 9.999 16.329 -1.941 205 H LYS 29 H LYS 29 4.697 12.215 -1.221 206 HA LYS 29 HA LYS 29 4.712 12.290 -4.210 207 1HB LYS 29 2HB LYS 29 3.222 10.322 -4.206 208 2HB LYS 29 1HB LYS 29 4.761 9.946 -3.432 209 1HG LYS 29 2HG LYS 29 3.734 10.347 -1.213 210 2HG LYS 29 1HG LYS 29 2.190 10.680 -1.999 211 1HD LYS 29 2HD LYS 29 2.521 8.339 -3.104 212 2HD LYS 29 1HD LYS 29 3.680 8.071 -1.802 213 1HE LYS 29 2HE LYS 29 0.989 9.168 -1.092 214 2HE LYS 29 1HE LYS 29 1.114 7.454 -1.489 215 1HZ LYS 29 1HZ LYS 29 1.592 7.371 0.714 216 2HZ LYS 29 2HZ LYS 29 2.256 8.933 0.758 217 3HZ LYS 29 3HZ LYS 29 3.161 7.640 0.129 218 H LYS 30 H LYS 30 3.145 13.610 -5.002 219 HA LYS 30 HA LYS 30 0.970 14.449 -3.136 220 1HB LYS 30 2HB LYS 30 1.873 15.788 -5.703 221 2HB LYS 30 1HB LYS 30 0.769 16.449 -4.496 222 1HG LYS 30 2HG LYS 30 3.619 15.663 -3.851 223 2HG LYS 30 1HG LYS 30 3.167 17.292 -4.352 224 1HD LYS 30 2HD LYS 30 1.510 17.346 -2.463 225 2HD LYS 30 1HD LYS 30 2.156 15.796 -1.918 226 1HE LYS 30 2HE LYS 30 3.318 17.452 -0.654 227 2HE LYS 30 1HE LYS 30 4.452 16.918 -1.894 228 1HZ LYS 30 1HZ LYS 30 3.024 19.458 -1.645 229 2HZ LYS 30 2HZ LYS 30 3.312 18.867 -3.211 230 3HZ LYS 30 3HZ LYS 30 4.614 19.153 -2.156 231 H ALA 31 H ALA 31 -0.854 15.412 -5.003 232 HA ALA 31 HA ALA 31 -2.378 13.156 -5.672 233 1HB ALA 31 1HB ALA 31 -3.684 14.617 -7.109 234 2HB ALA 31 2HB ALA 31 -2.351 15.767 -7.213 235 3HB ALA 31 3HB ALA 31 -3.195 15.531 -5.682 236 H GLY 32 H GLY 32 -1.050 11.557 -6.657 237 1HA GLY 32 2HA GLY 32 -0.414 12.133 -9.519 238 2HA GLY 32 1HA GLY 32 0.749 11.285 -8.499 239 H ARG 33 H ARG 33 -0.364 10.134 -10.850 240 HA ARG 33 HA ARG 33 -1.784 7.826 -9.615 241 1HB ARG 33 2HB ARG 33 -2.941 9.706 -11.445 242 2HB ARG 33 1HB ARG 33 -2.775 8.153 -12.267 243 1HG ARG 33 2HG ARG 33 -3.719 7.252 -9.930 244 2HG ARG 33 1HG ARG 33 -4.418 8.871 -9.882 245 1HD ARG 33 2HD ARG 33 -4.686 7.023 -12.265 246 2HD ARG 33 1HD ARG 33 -5.885 7.117 -10.975 247 HE ARG 33 HE ARG 33 -5.381 9.756 -11.933 248 1HH1 ARG 33 1HH1 ARG 33 -7.749 7.488 -11.846 249 2HH1 ARG 33 2HH1 ARG 33 -8.458 7.858 -13.382 250 1HH2 ARG 33 1HH2 ARG 33 -5.862 9.930 -14.378 251 2HH2 ARG 33 2HH2 ARG 33 -7.389 9.240 -14.817 252 H GLY 34 H GLY 34 -0.291 6.230 -9.897 253 1HA GLY 34 2HA GLY 34 1.290 4.851 -10.952 254 2HA GLY 34 1HA GLY 34 0.321 5.114 -12.404 Start of MODEL 7 1 1H MET 1 1HT MET 1 -15.855 7.729 0.027 2 2H MET 1 2HT MET 1 -17.491 7.681 -0.426 3 3H MET 1 3HT MET 1 -16.942 6.750 0.886 4 HA MET 1 HA MET 1 -16.203 9.309 1.524 5 1HB MET 1 2HB MET 1 -18.341 10.548 1.324 6 2HB MET 1 1HB MET 1 -17.675 10.146 -0.260 7 1HG MET 1 2HG MET 1 -19.642 9.160 -0.747 8 2HG MET 1 1HG MET 1 -19.250 7.931 0.456 9 1HE MET 1 1HE MET 1 -21.735 8.202 -0.356 10 2HE MET 1 2HE MET 1 -22.546 9.761 -0.240 11 3HE MET 1 3HE MET 1 -22.864 8.519 0.968 12 H GLY 2 H GLY 2 -16.356 6.806 2.728 13 1HA GLY 2 2HA GLY 2 -18.732 6.887 4.506 14 2HA GLY 2 1HA GLY 2 -17.569 5.565 4.409 15 H LYS 3 H LYS 3 -17.316 5.642 6.741 16 HA LYS 3 HA LYS 3 -16.309 8.091 7.987 17 1HB LYS 3 2HB LYS 3 -16.395 5.261 9.075 18 2HB LYS 3 1HB LYS 3 -16.134 6.730 10.014 19 1HG LYS 3 2HG LYS 3 -18.338 7.347 9.921 20 2HG LYS 3 1HG LYS 3 -18.566 6.672 8.307 21 1HD LYS 3 2HD LYS 3 -18.272 4.366 9.477 22 2HD LYS 3 1HD LYS 3 -18.611 5.253 10.963 23 1HE LYS 3 2HE LYS 3 -20.809 5.453 10.466 24 2HE LYS 3 1HE LYS 3 -20.471 5.909 8.797 25 1HZ LYS 3 1HZ LYS 3 -21.352 3.444 9.761 26 2HZ LYS 3 2HZ LYS 3 -19.783 3.216 9.151 27 3HZ LYS 3 3HZ LYS 3 -20.996 3.874 8.160 28 H ALA 4 H ALA 4 -14.284 8.687 7.297 29 HA ALA 4 HA ALA 4 -12.047 6.904 7.941 30 1HB ALA 4 1HB ALA 4 -11.347 7.691 5.361 31 2HB ALA 4 2HB ALA 4 -13.033 7.197 5.209 32 3HB ALA 4 3HB ALA 4 -11.838 6.070 5.851 33 H GLU 5 H GLU 5 -10.030 8.079 8.014 34 HA GLU 5 HA GLU 5 -10.444 11.027 8.145 35 1HB GLU 5 2HB GLU 5 -8.063 9.482 9.188 36 2HB GLU 5 1HB GLU 5 -8.591 11.103 9.644 37 1HG GLU 5 2HG GLU 5 -9.937 10.265 11.239 38 2HG GLU 5 1HG GLU 5 -10.746 9.233 10.059 39 H ASN 6 H ASN 6 -7.692 8.882 7.319 40 HA ASN 6 HA ASN 6 -6.548 10.878 5.553 41 1HB ASN 6 2HB ASN 6 -5.887 8.124 6.428 42 2HB ASN 6 1HB ASN 6 -5.275 8.592 4.842 43 1HD2 ASN 6 1HD2 ASN 6 -4.761 11.347 5.273 44 2HD2 ASN 6 2HD2 ASN 6 -3.542 11.507 6.443 45 H TYR 7 H TYR 7 -7.554 11.358 3.656 46 HA TYR 7 HA TYR 7 -9.045 9.256 2.212 47 1HB TYR 7 2HB TYR 7 -8.826 11.858 0.882 48 2HB TYR 7 1HB TYR 7 -10.263 10.952 1.341 49 HD1 TYR 7 1HD TYR 7 -7.822 13.487 2.401 50 HD2 TYR 7 2HD TYR 7 -11.304 11.242 3.537 51 HE1 TYR 7 1HE TYR 7 -8.190 15.024 4.310 52 HE2 TYR 7 2HE TYR 7 -11.671 12.778 5.447 53 HH TYR 7 HH TYR 7 -11.055 14.718 6.389 54 H GLU 8 H GLU 8 -6.099 11.146 1.972 55 HA GLU 8 HA GLU 8 -5.500 9.771 -0.618 56 1HB GLU 8 2HB GLU 8 -4.231 12.287 0.501 57 2HB GLU 8 1HB GLU 8 -3.964 11.598 -1.102 58 1HG GLU 8 2HG GLU 8 -6.041 12.259 -1.885 59 2HG GLU 8 1HG GLU 8 -6.773 12.226 -0.280 60 H LEU 9 H LEU 9 -5.038 9.062 2.413 61 HA LEU 9 HA LEU 9 -2.094 8.646 2.233 62 1HB LEU 9 2HB LEU 9 -3.571 9.645 4.290 63 2HB LEU 9 1HB LEU 9 -3.530 7.938 4.722 64 HG LEU 9 HG LEU 9 -0.917 8.767 3.827 65 1HD1 LEU 9 1HD1 LEU 9 -2.072 10.359 6.138 66 2HD1 LEU 9 2HD1 LEU 9 -1.694 11.020 4.546 67 3HD1 LEU 9 3HD1 LEU 9 -0.402 10.404 5.576 68 1HD2 LEU 9 1HD2 LEU 9 -2.218 7.350 6.030 69 2HD2 LEU 9 2HD2 LEU 9 -0.817 8.277 6.565 70 3HD2 LEU 9 3HD2 LEU 9 -0.641 7.065 5.294 71 H TYR 10 H TYR 10 -2.549 6.441 4.334 72 HA TYR 10 HA TYR 10 -2.488 4.238 2.515 73 1HB TYR 10 2HB TYR 10 -2.969 2.940 4.774 74 2HB TYR 10 1HB TYR 10 -1.408 3.698 4.478 75 HD1 TYR 10 1HD TYR 10 -4.642 5.351 5.304 76 HD2 TYR 10 2HD TYR 10 -0.700 4.326 6.650 77 HE1 TYR 10 1HE TYR 10 -4.960 6.774 7.308 78 HE2 TYR 10 2HE TYR 10 -1.014 5.752 8.656 79 HH TYR 10 HH TYR 10 -3.286 6.573 9.986 80 H GLN 11 H GLN 11 -5.136 6.051 3.519 81 HA GLN 11 HA GLN 11 -7.034 3.780 3.467 82 1HB GLN 11 2HB GLN 11 -7.056 6.368 4.624 83 2HB GLN 11 1HB GLN 11 -8.299 6.377 3.373 84 1HG GLN 11 2HG GLN 11 -8.036 4.259 5.528 85 2HG GLN 11 1HG GLN 11 -9.182 5.600 5.568 86 1HE2 GLN 11 1HE2 GLN 11 -9.562 2.540 5.252 87 2HE2 GLN 11 2HE2 GLN 11 -10.561 2.400 3.886 88 H VAL 12 H VAL 12 -5.506 4.164 1.146 89 HA VAL 12 HA VAL 12 -7.451 5.291 -0.790 90 HB VAL 12 HB VAL 12 -5.347 6.436 -0.879 91 1HG1 VAL 12 1HG1 VAL 12 -4.061 4.658 0.305 92 2HG1 VAL 12 2HG1 VAL 12 -3.221 5.287 -1.113 93 3HG1 VAL 12 3HG1 VAL 12 -4.037 3.726 -1.193 94 1HG2 VAL 12 1HG2 VAL 12 -5.407 4.368 -3.098 95 2HG2 VAL 12 2HG2 VAL 12 -4.641 5.954 -3.175 96 3HG2 VAL 12 3HG2 VAL 12 -6.396 5.827 -3.061 97 H GLU 13 H GLU 13 -8.672 3.268 -0.836 98 HA GLU 13 HA GLU 13 -9.084 1.047 -1.522 99 1HB GLU 13 2HB GLU 13 -7.764 2.534 -3.653 100 2HB GLU 13 1HB GLU 13 -7.440 0.804 -3.773 101 1HG GLU 13 2HG GLU 13 -10.221 1.281 -3.099 102 2HG GLU 13 1HG GLU 13 -9.782 2.134 -4.579 103 H LEU 14 H LEU 14 -7.822 0.321 0.424 104 HA LEU 14 HA LEU 14 -5.130 -0.261 0.598 105 1HB LEU 14 2HB LEU 14 -7.599 -1.539 1.638 106 2HB LEU 14 1HB LEU 14 -6.143 -2.532 1.683 107 HG LEU 14 HG LEU 14 -6.524 -1.121 3.752 108 1HD1 LEU 14 1HD1 LEU 14 -4.066 0.007 3.307 109 2HD1 LEU 14 2HD1 LEU 14 -4.098 -1.256 2.077 110 3HD1 LEU 14 3HD1 LEU 14 -4.318 -1.675 3.776 111 1HD2 LEU 14 1HD2 LEU 14 -7.293 0.848 2.188 112 2HD2 LEU 14 2HD2 LEU 14 -5.569 1.206 2.104 113 3HD2 LEU 14 3HD2 LEU 14 -6.395 1.213 3.662 114 H GLY 15 H GLY 15 -4.073 -2.499 0.337 115 1HA GLY 15 2HA GLY 15 -5.109 -4.007 -2.000 116 2HA GLY 15 1HA GLY 15 -3.500 -3.294 -2.137 117 HA PRO 16 HA PRO 16 -3.249 -7.458 -0.018 118 1HB PRO 16 2HB PRO 16 -2.090 -8.836 -2.096 119 2HB PRO 16 1HB PRO 16 -3.841 -8.752 -1.832 120 1HG PRO 16 2HG PRO 16 -2.185 -7.361 -3.882 121 2HG PRO 16 1HG PRO 16 -3.898 -7.809 -3.939 122 1HD PRO 16 2HD PRO 16 -2.872 -5.221 -3.409 123 2HD PRO 16 1HD PRO 16 -4.549 -5.753 -3.163 124 H GLY 17 H GLY 17 -1.591 -6.220 1.180 125 1HA GLY 17 2HA GLY 17 0.623 -5.851 1.864 126 2HA GLY 17 1HA GLY 17 1.064 -7.189 0.804 127 HA PRO 18 HA PRO 18 1.349 -3.093 -1.709 128 1HB PRO 18 2HB PRO 18 1.504 -0.820 -0.169 129 2HB PRO 18 1HB PRO 18 -0.015 -1.470 -0.809 130 1HG PRO 18 2HG PRO 18 1.035 -1.556 1.981 131 2HG PRO 18 1HG PRO 18 -0.641 -1.602 1.411 132 1HD PRO 18 2HD PRO 18 0.879 -3.830 2.279 133 2HD PRO 18 1HD PRO 18 -0.670 -3.894 1.411 134 H SER 19 H SER 19 2.850 -2.045 1.371 135 HA SER 19 HA SER 19 5.458 -3.083 0.784 136 1HB SER 19 2HB SER 19 6.606 -1.197 -0.069 137 2HB SER 19 1HB SER 19 5.120 -1.254 -1.013 138 HG SER 19 HG SER 19 4.583 0.594 -0.182 139 H GLY 20 H GLY 20 5.430 -3.535 3.022 140 1HA GLY 20 2HA GLY 20 6.694 -2.160 4.898 141 2HA GLY 20 1HA GLY 20 5.194 -1.229 4.882 142 H ASP 21 H ASP 21 4.133 -1.811 6.733 143 HA ASP 21 HA ASP 21 4.231 -4.581 7.706 144 1HB ASP 21 2HB ASP 21 2.757 -3.694 9.525 145 2HB ASP 21 1HB ASP 21 4.256 -2.782 9.349 146 H MET 22 H MET 22 1.903 -5.411 8.474 147 HA MET 22 HA MET 22 -0.126 -4.863 6.373 148 1HB MET 22 2HB MET 22 1.558 -7.056 6.191 149 2HB MET 22 1HB MET 22 0.125 -7.719 6.978 150 1HG MET 22 2HG MET 22 -1.228 -6.498 5.159 151 2HG MET 22 1HG MET 22 0.307 -6.317 4.311 152 1HE MET 22 1HE MET 22 1.946 -8.035 4.468 153 2HE MET 22 2HE MET 22 1.569 -9.072 3.094 154 3HE MET 22 3HE MET 22 1.696 -9.772 4.706 155 H ALA 23 H ALA 23 -1.902 -6.910 7.103 156 HA ALA 23 HA ALA 23 -3.675 -7.153 8.636 157 1HB ALA 23 1HB ALA 23 -1.211 -7.406 10.378 158 2HB ALA 23 2HB ALA 23 -2.162 -8.710 9.664 159 3HB ALA 23 3HB ALA 23 -2.841 -7.735 10.968 160 H ALA 24 H ALA 24 -4.121 -4.762 8.175 161 HA ALA 24 HA ALA 24 -3.787 -3.201 10.708 162 1HB ALA 24 1HB ALA 24 -2.465 -2.110 9.022 163 2HB ALA 24 2HB ALA 24 -3.938 -1.158 9.204 164 3HB ALA 24 3HB ALA 24 -3.759 -2.252 7.831 165 H LYS 25 H LYS 25 -5.913 -4.590 10.969 166 HA LYS 25 HA LYS 25 -8.147 -2.755 10.368 167 1HB LYS 25 2HB LYS 25 -7.698 -5.013 8.754 168 2HB LYS 25 1HB LYS 25 -9.000 -5.479 9.850 169 1HG LYS 25 2HG LYS 25 -9.095 -2.791 8.515 170 2HG LYS 25 1HG LYS 25 -9.577 -4.226 7.609 171 1HD LYS 25 2HD LYS 25 -11.513 -4.431 8.761 172 2HD LYS 25 1HD LYS 25 -10.712 -4.158 10.309 173 1HE LYS 25 2HE LYS 25 -11.940 -2.220 10.242 174 2HE LYS 25 1HE LYS 25 -10.553 -1.665 9.305 175 1HZ LYS 25 1HZ LYS 25 -13.201 -1.848 8.479 176 2HZ LYS 25 2HZ LYS 25 -12.339 -3.028 7.612 177 3HZ LYS 25 3HZ LYS 25 -11.853 -1.402 7.551 178 H MET 26 H MET 26 -7.902 -2.540 12.732 179 HA MET 26 HA MET 26 -9.565 -4.530 14.136 180 1HB MET 26 2HB MET 26 -7.002 -5.118 14.269 181 2HB MET 26 1HB MET 26 -6.954 -3.791 15.431 182 1HG MET 26 2HG MET 26 -9.144 -5.779 15.767 183 2HG MET 26 1HG MET 26 -7.512 -6.322 16.162 184 1HE MET 26 1HE MET 26 -6.684 -5.546 19.166 185 2HE MET 26 2HE MET 26 -7.351 -6.749 18.065 186 3HE MET 26 3HE MET 26 -8.325 -6.159 19.410 187 H SER 27 H SER 27 -11.054 -3.237 15.108 188 HA SER 27 HA SER 27 -10.215 -1.103 16.898 189 1HB SER 27 2HB SER 27 -10.586 -0.390 14.208 190 2HB SER 27 1HB SER 27 -12.062 0.119 15.023 191 HG SER 27 HG SER 27 -10.937 1.481 16.237 192 H LYS 28 H LYS 28 -11.671 -1.144 18.533 193 HA LYS 28 HA LYS 28 -14.450 -2.065 17.907 194 1HB LYS 28 2HB LYS 28 -12.535 -2.825 20.034 195 2HB LYS 28 1HB LYS 28 -14.190 -2.542 20.579 196 1HG LYS 28 2HG LYS 28 -14.581 -4.010 18.281 197 2HG LYS 28 1HG LYS 28 -13.109 -4.730 18.936 198 1HD LYS 28 2HD LYS 28 -15.229 -4.188 20.926 199 2HD LYS 28 1HD LYS 28 -15.619 -5.431 19.737 200 1HE LYS 28 2HE LYS 28 -13.122 -6.212 20.318 201 2HE LYS 28 1HE LYS 28 -13.507 -5.416 21.844 202 1HZ LYS 28 1HZ LYS 28 -15.318 -6.825 22.201 203 2HZ LYS 28 2HZ LYS 28 -14.093 -7.856 21.635 204 3HZ LYS 28 3HZ LYS 28 -15.344 -7.367 20.594 205 H LYS 29 H LYS 29 -16.130 -0.803 18.729 206 HA LYS 29 HA LYS 29 -15.457 1.386 20.612 207 1HB LYS 29 2HB LYS 29 -15.546 1.888 17.892 208 2HB LYS 29 1HB LYS 29 -17.175 2.309 18.421 209 1HG LYS 29 2HG LYS 29 -16.458 4.124 19.579 210 2HG LYS 29 1HG LYS 29 -15.060 3.265 20.228 211 1HD LYS 29 2HD LYS 29 -14.335 5.089 18.743 212 2HD LYS 29 1HD LYS 29 -13.899 3.523 18.058 213 1HE LYS 29 2HE LYS 29 -15.987 3.597 16.681 214 2HE LYS 29 1HE LYS 29 -16.288 5.225 17.292 215 1HZ LYS 29 1HZ LYS 29 -14.806 6.072 15.894 216 2HZ LYS 29 2HZ LYS 29 -14.776 4.564 15.113 217 3HZ LYS 29 3HZ LYS 29 -13.626 4.926 16.311 218 H LYS 30 H LYS 30 -18.073 -0.041 18.627 219 HA LYS 30 HA LYS 30 -19.694 -0.615 20.936 220 1HB LYS 30 2HB LYS 30 -19.963 2.032 19.689 221 2HB LYS 30 1HB LYS 30 -21.484 1.145 19.786 222 1HG LYS 30 2HG LYS 30 -20.029 0.816 22.249 223 2HG LYS 30 1HG LYS 30 -20.167 2.534 21.875 224 1HD LYS 30 2HD LYS 30 -22.172 2.153 23.002 225 2HD LYS 30 1HD LYS 30 -22.667 1.916 21.325 226 1HE LYS 30 2HE LYS 30 -22.157 -0.554 21.646 227 2HE LYS 30 1HE LYS 30 -21.996 -0.214 23.367 228 1HZ LYS 30 1HZ LYS 30 -24.262 -0.952 22.516 229 2HZ LYS 30 2HZ LYS 30 -24.396 0.605 21.851 230 3HZ LYS 30 3HZ LYS 30 -24.219 0.407 23.529 231 H ALA 31 H ALA 31 -19.444 -2.560 19.468 232 HA ALA 31 HA ALA 31 -21.822 -3.248 18.179 233 1HB ALA 31 1HB ALA 31 -21.644 -1.741 16.416 234 2HB ALA 31 2HB ALA 31 -20.826 -3.143 15.730 235 3HB ALA 31 3HB ALA 31 -19.882 -1.813 16.399 236 H GLY 32 H GLY 32 -20.695 -4.965 19.587 237 1HA GLY 32 2HA GLY 32 -18.406 -6.376 18.583 238 2HA GLY 32 1HA GLY 32 -19.573 -7.022 19.738 239 H ARG 33 H ARG 33 -18.404 -7.320 16.596 240 HA ARG 33 HA ARG 33 -20.924 -8.575 15.616 241 1HB ARG 33 2HB ARG 33 -18.855 -7.039 14.367 242 2HB ARG 33 1HB ARG 33 -18.862 -8.650 13.645 243 1HG ARG 33 2HG ARG 33 -21.274 -8.466 13.217 244 2HG ARG 33 1HG ARG 33 -21.298 -6.872 13.974 245 1HD ARG 33 2HD ARG 33 -20.821 -5.991 11.955 246 2HD ARG 33 1HD ARG 33 -19.234 -6.752 12.069 247 HE ARG 33 HE ARG 33 -21.302 -8.569 11.104 248 1HH1 ARG 33 1HH1 ARG 33 -19.579 -5.784 10.124 249 2HH1 ARG 33 2HH1 ARG 33 -19.158 -6.413 8.565 250 1HH2 ARG 33 1HH2 ARG 33 -20.519 -9.544 9.168 251 2HH2 ARG 33 2HH2 ARG 33 -19.689 -8.542 8.026 252 H GLY 34 H GLY 34 -21.039 -10.778 15.324 253 1HA GLY 34 2HA GLY 34 -20.117 -12.971 14.914 254 2HA GLY 34 1HA GLY 34 -18.533 -12.366 15.402 Start of MODEL 8 1 1H MET 1 1HT MET 1 -19.806 18.132 2.725 2 2H MET 1 2HT MET 1 -19.841 19.826 2.605 3 3H MET 1 3HT MET 1 -18.804 18.922 1.608 4 HA MET 1 HA MET 1 -21.599 18.207 1.407 5 1HB MET 1 2HB MET 1 -22.098 20.183 -0.028 6 2HB MET 1 1HB MET 1 -21.828 20.631 1.657 7 1HG MET 1 2HG MET 1 -20.063 21.915 1.099 8 2HG MET 1 1HG MET 1 -19.324 20.591 0.198 9 1HE MET 1 1HE MET 1 -18.274 21.979 -1.032 10 2HE MET 1 2HE MET 1 -18.853 23.404 -1.891 11 3HE MET 1 3HE MET 1 -18.797 21.849 -2.717 12 H GLY 2 H GLY 2 -19.373 16.755 0.728 13 1HA GLY 2 2HA GLY 2 -19.663 15.895 -1.828 14 2HA GLY 2 1HA GLY 2 -18.656 17.324 -2.070 15 H LYS 3 H LYS 3 -16.720 16.329 -2.623 16 HA LYS 3 HA LYS 3 -15.312 14.955 -0.422 17 1HB LYS 3 2HB LYS 3 -16.361 13.582 -2.782 18 2HB LYS 3 1HB LYS 3 -14.619 13.377 -2.603 19 1HG LYS 3 2HG LYS 3 -15.061 12.788 -0.165 20 2HG LYS 3 1HG LYS 3 -16.773 12.709 -0.588 21 1HD LYS 3 2HD LYS 3 -16.437 10.590 -1.269 22 2HD LYS 3 1HD LYS 3 -15.441 11.227 -2.578 23 1HE LYS 3 2HE LYS 3 -14.214 9.550 -1.219 24 2HE LYS 3 1HE LYS 3 -13.454 11.140 -1.142 25 1HZ LYS 3 1HZ LYS 3 -14.037 11.418 1.009 26 2HZ LYS 3 2HZ LYS 3 -14.014 9.719 1.009 27 3HZ LYS 3 3HZ LYS 3 -15.488 10.552 0.861 28 H ALA 4 H ALA 4 -13.003 15.014 -0.708 29 HA ALA 4 HA ALA 4 -11.988 16.443 -3.100 30 1HB ALA 4 1HB ALA 4 -12.133 17.546 -0.350 31 2HB ALA 4 2HB ALA 4 -12.059 18.388 -1.899 32 3HB ALA 4 3HB ALA 4 -10.585 17.749 -1.172 33 H GLU 5 H GLU 5 -10.432 15.050 -3.786 34 HA GLU 5 HA GLU 5 -9.053 13.258 -1.956 35 1HB GLU 5 2HB GLU 5 -8.449 13.907 -4.857 36 2HB GLU 5 1HB GLU 5 -7.821 12.531 -3.950 37 1HG GLU 5 2HG GLU 5 -10.697 12.636 -3.708 38 2HG GLU 5 1HG GLU 5 -10.236 12.648 -5.411 39 H ASN 6 H ASN 6 -8.110 14.882 -0.509 40 HA ASN 6 HA ASN 6 -5.767 16.298 -1.712 41 1HB ASN 6 2HB ASN 6 -7.673 17.589 -0.475 42 2HB ASN 6 1HB ASN 6 -6.924 16.951 0.990 43 1HD2 ASN 6 1HD2 ASN 6 -5.857 18.545 -2.078 44 2HD2 ASN 6 2HD2 ASN 6 -4.704 19.538 -1.326 45 H TYR 7 H TYR 7 -6.851 14.441 1.131 46 HA TYR 7 HA TYR 7 -4.108 14.143 2.107 47 1HB TYR 7 2HB TYR 7 -6.182 12.313 3.151 48 2HB TYR 7 1HB TYR 7 -5.051 13.344 4.019 49 HD1 TYR 7 1HD TYR 7 -5.531 15.802 4.257 50 HD2 TYR 7 2HD TYR 7 -8.408 13.036 2.673 51 HE1 TYR 7 1HE TYR 7 -7.334 17.458 4.644 52 HE2 TYR 7 2HE TYR 7 -10.212 14.689 3.060 53 HH TYR 7 HH TYR 7 -10.482 17.087 3.331 54 H GLU 8 H GLU 8 -6.573 11.711 1.264 55 HA GLU 8 HA GLU 8 -6.275 9.528 0.425 56 1HB GLU 8 2HB GLU 8 -4.654 11.342 -1.341 57 2HB GLU 8 1HB GLU 8 -4.623 9.600 -1.620 58 1HG GLU 8 2HG GLU 8 -7.322 10.139 -1.258 59 2HG GLU 8 1HG GLU 8 -6.748 11.529 -2.181 60 H LEU 9 H LEU 9 -5.150 9.061 2.568 61 HA LEU 9 HA LEU 9 -2.213 8.708 2.304 62 1HB LEU 9 2HB LEU 9 -3.642 9.606 4.400 63 2HB LEU 9 1HB LEU 9 -3.664 7.883 4.773 64 HG LEU 9 HG LEU 9 -1.021 8.419 3.991 65 1HD1 LEU 9 1HD1 LEU 9 -2.277 10.809 5.016 66 2HD1 LEU 9 2HD1 LEU 9 -0.619 10.585 4.456 67 3HD1 LEU 9 3HD1 LEU 9 -1.033 10.256 6.139 68 1HD2 LEU 9 1HD2 LEU 9 -2.359 7.167 6.038 69 2HD2 LEU 9 2HD2 LEU 9 -1.581 8.503 6.884 70 3HD2 LEU 9 3HD2 LEU 9 -0.607 7.357 5.961 71 H TYR 10 H TYR 10 -2.626 6.412 4.375 72 HA TYR 10 HA TYR 10 -2.452 4.278 2.471 73 1HB TYR 10 2HB TYR 10 -2.109 2.869 4.321 74 2HB TYR 10 1HB TYR 10 -1.429 4.414 4.803 75 HD1 TYR 10 1HD TYR 10 -4.318 5.695 5.131 76 HD2 TYR 10 2HD TYR 10 -2.410 2.157 6.644 77 HE1 TYR 10 1HE TYR 10 -5.817 5.731 7.105 78 HE2 TYR 10 2HE TYR 10 -3.912 2.192 8.618 79 HH TYR 10 HH TYR 10 -5.384 4.522 9.767 80 H GLN 11 H GLN 11 -5.134 5.960 3.468 81 HA GLN 11 HA GLN 11 -6.958 3.626 3.467 82 1HB GLN 11 2HB GLN 11 -7.157 5.892 4.865 83 2HB GLN 11 1HB GLN 11 -7.944 6.456 3.391 84 1HG GLN 11 2HG GLN 11 -9.267 4.182 3.587 85 2HG GLN 11 1HG GLN 11 -8.802 4.295 5.285 86 1HE2 GLN 11 1HE2 GLN 11 -9.885 6.732 2.839 87 2HE2 GLN 11 2HE2 GLN 11 -11.092 7.398 3.829 88 H VAL 12 H VAL 12 -5.338 4.215 1.157 89 HA VAL 12 HA VAL 12 -7.283 5.220 -0.827 90 HB VAL 12 HB VAL 12 -5.140 6.317 -0.909 91 1HG1 VAL 12 1HG1 VAL 12 -3.864 4.557 0.278 92 2HG1 VAL 12 2HG1 VAL 12 -3.050 5.070 -1.200 93 3HG1 VAL 12 3HG1 VAL 12 -3.936 3.547 -1.167 94 1HG2 VAL 12 1HG2 VAL 12 -5.834 4.397 -3.092 95 2HG2 VAL 12 2HG2 VAL 12 -4.290 5.239 -3.201 96 3HG2 VAL 12 3HG2 VAL 12 -5.791 6.158 -3.119 97 H GLU 13 H GLU 13 -8.486 3.122 -0.611 98 HA GLU 13 HA GLU 13 -8.996 0.963 -1.385 99 1HB GLU 13 2HB GLU 13 -7.897 2.378 -3.512 100 2HB GLU 13 1HB GLU 13 -6.952 0.888 -3.481 101 1HG GLU 13 2HG GLU 13 -9.947 0.765 -3.237 102 2HG GLU 13 1HG GLU 13 -9.200 0.937 -4.826 103 H LEU 14 H LEU 14 -7.679 0.550 0.753 104 HA LEU 14 HA LEU 14 -5.039 -0.325 0.843 105 1HB LEU 14 2HB LEU 14 -7.467 -0.796 2.401 106 2HB LEU 14 1HB LEU 14 -6.374 -2.181 2.433 107 HG LEU 14 HG LEU 14 -5.237 0.566 2.817 108 1HD1 LEU 14 1HD1 LEU 14 -6.693 -1.067 4.917 109 2HD1 LEU 14 2HD1 LEU 14 -7.101 0.561 4.374 110 3HD1 LEU 14 3HD1 LEU 14 -5.616 0.280 5.285 111 1HD2 LEU 14 1HD2 LEU 14 -4.555 -2.278 3.454 112 2HD2 LEU 14 2HD2 LEU 14 -3.930 -1.016 4.519 113 3HD2 LEU 14 3HD2 LEU 14 -3.530 -0.998 2.801 114 H GLY 15 H GLY 15 -4.556 -2.852 1.256 115 1HA GLY 15 2HA GLY 15 -5.936 -4.730 -0.455 116 2HA GLY 15 1HA GLY 15 -4.455 -4.146 -1.216 117 HA PRO 16 HA PRO 16 -3.350 -6.654 2.750 118 1HB PRO 16 2HB PRO 16 -5.240 -8.531 3.417 119 2HB PRO 16 1HB PRO 16 -5.200 -6.896 4.099 120 1HG PRO 16 2HG PRO 16 -7.051 -8.030 2.057 121 2HG PRO 16 1HG PRO 16 -7.313 -6.693 3.188 122 1HD PRO 16 2HD PRO 16 -6.696 -6.450 0.430 123 2HD PRO 16 1HD PRO 16 -6.664 -5.142 1.632 124 H GLY 17 H GLY 17 -1.969 -7.480 0.973 125 1HA GLY 17 2HA GLY 17 -0.962 -9.564 0.273 126 2HA GLY 17 1HA GLY 17 -2.539 -10.341 0.416 127 HA PRO 18 HA PRO 18 -2.552 -7.903 -3.717 128 1HB PRO 18 2HB PRO 18 -0.129 -6.870 -4.510 129 2HB PRO 18 1HB PRO 18 -1.313 -5.966 -3.548 130 1HG PRO 18 2HG PRO 18 1.259 -7.203 -2.681 131 2HG PRO 18 1HG PRO 18 0.386 -5.827 -1.987 132 1HD PRO 18 2HD PRO 18 0.408 -8.469 -0.963 133 2HD PRO 18 1HD PRO 18 -0.698 -7.167 -0.477 134 H SER 19 H SER 19 0.866 -8.981 -3.525 135 HA SER 19 HA SER 19 0.653 -10.511 -5.975 136 1HB SER 19 2HB SER 19 2.856 -9.974 -5.700 137 2HB SER 19 1HB SER 19 2.734 -9.944 -3.943 138 HG SER 19 HG SER 19 2.716 -12.287 -5.551 139 H GLY 20 H GLY 20 -0.424 -12.412 -6.098 140 1HA GLY 20 2HA GLY 20 -1.206 -14.548 -5.534 141 2HA GLY 20 1HA GLY 20 0.185 -14.662 -4.458 142 H ASP 21 H ASP 21 -1.874 -15.863 -3.396 143 HA ASP 21 HA ASP 21 -2.988 -13.901 -1.435 144 1HB ASP 21 2HB ASP 21 -4.535 -15.123 -3.303 145 2HB ASP 21 1HB ASP 21 -4.593 -16.328 -2.016 146 H MET 22 H MET 22 -0.690 -15.076 -0.741 147 HA MET 22 HA MET 22 -1.534 -17.289 1.087 148 1HB MET 22 2HB MET 22 0.048 -17.876 -0.900 149 2HB MET 22 1HB MET 22 1.278 -17.027 0.036 150 1HG MET 22 2HG MET 22 -0.283 -18.887 1.667 151 2HG MET 22 1HG MET 22 0.565 -19.693 0.348 152 1HE MET 22 1HE MET 22 1.970 -19.136 4.231 153 2HE MET 22 2HE MET 22 0.368 -18.940 3.525 154 3HE MET 22 3HE MET 22 1.358 -17.520 3.853 155 H ALA 23 H ALA 23 -1.845 -14.904 2.160 156 HA ALA 23 HA ALA 23 -0.160 -14.792 4.402 157 1HB ALA 23 1HB ALA 23 1.032 -12.550 3.676 158 2HB ALA 23 2HB ALA 23 0.813 -13.201 2.051 159 3HB ALA 23 3HB ALA 23 1.742 -14.107 3.244 160 H ALA 24 H ALA 24 -2.351 -14.394 5.165 161 HA ALA 24 HA ALA 24 -4.066 -12.319 4.409 162 1HB ALA 24 1HB ALA 24 -3.729 -14.018 6.722 163 2HB ALA 24 2HB ALA 24 -5.199 -13.253 6.119 164 3HB ALA 24 3HB ALA 24 -4.149 -12.383 7.236 165 H LYS 25 H LYS 25 -1.654 -12.115 7.057 166 HA LYS 25 HA LYS 25 -0.608 -10.226 7.987 167 1HB LYS 25 2HB LYS 25 0.107 -10.398 5.387 168 2HB LYS 25 1HB LYS 25 -0.670 -8.814 5.371 169 1HG LYS 25 2HG LYS 25 0.746 -8.185 7.358 170 2HG LYS 25 1HG LYS 25 1.615 -9.705 7.148 171 1HD LYS 25 2HD LYS 25 1.295 -7.845 4.811 172 2HD LYS 25 1HD LYS 25 2.544 -7.526 6.014 173 1HE LYS 25 2HE LYS 25 3.803 -8.942 4.756 174 2HE LYS 25 1HE LYS 25 2.895 -10.204 5.586 175 1HZ LYS 25 1HZ LYS 25 1.368 -9.228 3.438 176 2HZ LYS 25 2HZ LYS 25 1.987 -10.793 3.674 177 3HZ LYS 25 3HZ LYS 25 2.915 -9.622 2.864 178 H MET 26 H MET 26 -2.668 -9.697 9.111 179 HA MET 26 HA MET 26 -3.746 -7.099 8.112 180 1HB MET 26 2HB MET 26 -5.318 -9.461 9.174 181 2HB MET 26 1HB MET 26 -5.989 -7.834 9.050 182 1HG MET 26 2HG MET 26 -4.933 -8.111 6.563 183 2HG MET 26 1HG MET 26 -5.364 -9.785 6.910 184 1HE MET 26 1HE MET 26 -7.642 -8.435 4.454 185 2HE MET 26 2HE MET 26 -8.148 -9.939 5.219 186 3HE MET 26 3HE MET 26 -6.434 -9.620 4.969 187 H SER 27 H SER 27 -4.905 -5.923 9.975 188 HA SER 27 HA SER 27 -4.871 -5.080 12.171 189 1HB SER 27 2HB SER 27 -5.016 -7.742 12.556 190 2HB SER 27 1HB SER 27 -3.417 -7.451 13.235 191 HG SER 27 HG SER 27 -4.888 -7.135 14.861 192 H LYS 28 H LYS 28 -3.072 -4.838 14.063 193 HA LYS 28 HA LYS 28 -0.923 -4.066 14.622 194 1HB LYS 28 2HB LYS 28 -0.001 -5.307 12.016 195 2HB LYS 28 1HB LYS 28 0.976 -4.941 13.438 196 1HG LYS 28 2HG LYS 28 -1.198 -6.589 14.276 197 2HG LYS 28 1HG LYS 28 -0.463 -7.341 12.862 198 1HD LYS 28 2HD LYS 28 1.056 -6.393 15.308 199 2HD LYS 28 1HD LYS 28 0.632 -8.070 14.969 200 1HE LYS 28 2HE LYS 28 2.263 -8.296 13.400 201 2HE LYS 28 1HE LYS 28 1.987 -6.682 12.746 202 1HZ LYS 28 1HZ LYS 28 3.374 -7.239 15.311 203 2HZ LYS 28 2HZ LYS 28 3.207 -5.728 14.553 204 3HZ LYS 28 3HZ LYS 28 4.165 -6.937 13.840 205 H LYS 29 H LYS 29 0.687 -2.417 13.843 206 HA LYS 29 HA LYS 29 -0.333 -0.864 11.504 207 1HB LYS 29 2HB LYS 29 -0.058 1.216 12.763 208 2HB LYS 29 1HB LYS 29 -1.159 0.144 13.630 209 1HG LYS 29 2HG LYS 29 0.184 0.255 15.429 210 2HG LYS 29 1HG LYS 29 1.472 -0.500 14.489 211 1HD LYS 29 2HD LYS 29 2.070 1.764 13.594 212 2HD LYS 29 1HD LYS 29 0.878 2.466 14.689 213 1HE LYS 29 2HE LYS 29 2.747 0.603 15.995 214 2HE LYS 29 1HE LYS 29 3.518 2.040 15.325 215 1HZ LYS 29 1HZ LYS 29 2.159 1.876 17.696 216 2HZ LYS 29 2HZ LYS 29 1.080 2.672 16.655 217 3HZ LYS 29 3HZ LYS 29 2.638 3.299 16.908 218 H LYS 30 H LYS 30 1.347 0.771 10.766 219 HA LYS 30 HA LYS 30 4.089 0.518 11.608 220 1HB LYS 30 2HB LYS 30 3.084 -1.420 9.663 221 2HB LYS 30 1HB LYS 30 4.440 -0.485 9.033 222 1HG LYS 30 2HG LYS 30 5.916 -1.497 10.418 223 2HG LYS 30 1HG LYS 30 4.843 -1.328 11.809 224 1HD LYS 30 2HD LYS 30 4.198 -3.479 11.638 225 2HD LYS 30 1HD LYS 30 3.749 -3.249 9.949 226 1HE LYS 30 2HE LYS 30 5.441 -4.840 9.756 227 2HE LYS 30 1HE LYS 30 6.349 -3.344 9.545 228 1HZ LYS 30 1HZ LYS 30 5.975 -4.616 12.191 229 2HZ LYS 30 2HZ LYS 30 7.090 -3.409 11.754 230 3HZ LYS 30 3HZ LYS 30 7.282 -4.996 11.179 231 H ALA 31 H ALA 31 3.148 2.850 11.388 232 HA ALA 31 HA ALA 31 2.678 4.080 8.893 233 1HB ALA 31 1HB ALA 31 2.296 5.288 10.966 234 2HB ALA 31 2HB ALA 31 3.481 6.181 10.013 235 3HB ALA 31 3HB ALA 31 4.009 5.199 11.379 236 H GLY 32 H GLY 32 3.988 4.339 7.155 237 1HA GLY 32 2HA GLY 32 6.891 4.748 7.569 238 2HA GLY 32 1HA GLY 32 6.413 3.360 6.588 239 H ARG 33 H ARG 33 6.002 6.897 6.816 240 HA ARG 33 HA ARG 33 4.884 7.243 4.208 241 1HB ARG 33 2HB ARG 33 6.534 9.119 5.925 242 2HB ARG 33 1HB ARG 33 5.707 9.606 4.445 243 1HG ARG 33 2HG ARG 33 3.583 8.610 5.527 244 2HG ARG 33 1HG ARG 33 4.494 8.649 7.037 245 1HD ARG 33 2HD ARG 33 5.001 11.130 6.361 246 2HD ARG 33 1HD ARG 33 3.589 10.943 5.318 247 HE ARG 33 HE ARG 33 2.406 10.208 7.514 248 1HH1 ARG 33 1HH1 ARG 33 5.098 10.873 8.946 249 2HH1 ARG 33 2HH1 ARG 33 4.682 12.392 9.668 250 1HH2 ARG 33 1HH2 ARG 33 1.836 12.831 7.734 251 2HH2 ARG 33 2HH2 ARG 33 2.836 13.500 8.980 252 H GLY 34 H GLY 34 8.259 7.840 5.276 253 1HA GLY 34 2HA GLY 34 9.129 6.993 2.548 254 2HA GLY 34 1HA GLY 34 9.776 8.465 3.273 Start of MODEL 9 1 1H MET 1 1HT MET 1 0.710 18.696 4.143 2 2H MET 1 2HT MET 1 0.008 19.249 2.700 3 3H MET 1 3HT MET 1 -0.875 19.299 4.150 4 HA MET 1 HA MET 1 0.616 20.943 5.062 5 1HB MET 1 2HB MET 1 2.172 20.114 2.701 6 2HB MET 1 1HB MET 1 2.113 21.860 2.945 7 1HG MET 1 2HG MET 1 2.824 21.528 5.307 8 2HG MET 1 1HG MET 1 2.955 19.796 5.001 9 1HE MET 1 1HE MET 1 6.375 19.318 4.001 10 2HE MET 1 2HE MET 1 4.784 18.636 3.673 11 3HE MET 1 3HE MET 1 5.191 19.152 5.307 12 H GLY 2 H GLY 2 -0.348 22.938 4.962 13 1HA GLY 2 2HA GLY 2 -1.584 24.746 4.100 14 2HA GLY 2 1HA GLY 2 -1.180 24.172 2.481 15 H LYS 3 H LYS 3 -3.643 25.017 2.513 16 HA LYS 3 HA LYS 3 -5.430 22.734 3.210 17 1HB LYS 3 2HB LYS 3 -5.810 25.310 3.806 18 2HB LYS 3 1HB LYS 3 -6.492 25.332 2.180 19 1HG LYS 3 2HG LYS 3 -7.617 23.054 3.182 20 2HG LYS 3 1HG LYS 3 -7.519 24.049 4.636 21 1HD LYS 3 2HD LYS 3 -9.511 24.865 3.852 22 2HD LYS 3 1HD LYS 3 -8.447 25.894 2.894 23 1HE LYS 3 2HE LYS 3 -8.604 24.411 0.995 24 2HE LYS 3 1HE LYS 3 -9.469 23.205 1.949 25 1HZ LYS 3 1HZ LYS 3 -11.346 24.571 2.093 26 2HZ LYS 3 2HZ LYS 3 -10.851 24.698 0.473 27 3HZ LYS 3 3HZ LYS 3 -10.507 25.949 1.569 28 H ALA 4 H ALA 4 -4.329 21.671 1.244 29 HA ALA 4 HA ALA 4 -5.709 22.548 -1.262 30 1HB ALA 4 1HB ALA 4 -3.825 21.186 -2.379 31 2HB ALA 4 2HB ALA 4 -3.025 21.239 -0.808 32 3HB ALA 4 3HB ALA 4 -3.378 22.737 -1.668 33 H GLU 5 H GLU 5 -7.036 20.921 0.628 34 HA GLU 5 HA GLU 5 -8.299 18.944 0.668 35 1HB GLU 5 2HB GLU 5 -7.412 19.207 -2.142 36 2HB GLU 5 1HB GLU 5 -7.851 17.571 -1.649 37 1HG GLU 5 2HG GLU 5 -9.870 19.065 -0.527 38 2HG GLU 5 1HG GLU 5 -9.562 19.935 -2.030 39 H ASN 6 H ASN 6 -7.933 16.809 1.352 40 HA ASN 6 HA ASN 6 -5.080 16.085 1.669 41 1HB ASN 6 2HB ASN 6 -7.043 15.988 3.472 42 2HB ASN 6 1HB ASN 6 -7.293 14.395 2.759 43 1HD2 ASN 6 1HD2 ASN 6 -5.689 15.846 5.262 44 2HD2 ASN 6 2HD2 ASN 6 -4.367 14.791 5.408 45 H TYR 7 H TYR 7 -4.273 14.016 0.989 46 HA TYR 7 HA TYR 7 -5.697 12.947 -1.373 47 1HB TYR 7 2HB TYR 7 -3.188 11.615 -0.748 48 2HB TYR 7 1HB TYR 7 -3.645 12.507 -2.193 49 HD1 TYR 7 1HD TYR 7 -1.224 12.415 0.206 50 HD2 TYR 7 2HD TYR 7 -4.005 15.205 -1.506 51 HE1 TYR 7 1HE TYR 7 0.237 14.295 0.898 52 HE2 TYR 7 2HE TYR 7 -2.544 17.086 -0.813 53 HH TYR 7 HH TYR 7 -0.399 17.024 1.406 54 H GLU 8 H GLU 8 -4.731 12.020 1.872 55 HA GLU 8 HA GLU 8 -5.409 10.189 3.176 56 1HB GLU 8 2HB GLU 8 -7.472 10.508 1.175 57 2HB GLU 8 1HB GLU 8 -7.222 8.798 1.522 58 1HG GLU 8 2HG GLU 8 -7.680 9.076 3.825 59 2HG GLU 8 1HG GLU 8 -7.468 10.825 3.742 60 H LEU 9 H LEU 9 -3.068 9.734 2.105 61 HA LEU 9 HA LEU 9 -2.951 7.551 0.208 62 1HB LEU 9 2HB LEU 9 -1.067 9.124 0.546 63 2HB LEU 9 1HB LEU 9 -0.859 8.509 2.186 64 HG LEU 9 HG LEU 9 -0.944 6.341 0.248 65 1HD1 LEU 9 1HD1 LEU 9 1.000 8.612 -0.167 66 2HD1 LEU 9 2HD1 LEU 9 0.046 7.747 -1.373 67 3HD1 LEU 9 3HD1 LEU 9 1.425 6.957 -0.607 68 1HD2 LEU 9 1HD2 LEU 9 -0.025 6.566 2.705 69 2HD2 LEU 9 2HD2 LEU 9 1.435 7.145 1.901 70 3HD2 LEU 9 3HD2 LEU 9 0.819 5.531 1.553 71 H TYR 10 H TYR 10 -3.879 7.664 3.437 72 HA TYR 10 HA TYR 10 -2.821 5.005 4.135 73 1HB TYR 10 2HB TYR 10 -4.896 6.116 5.879 74 2HB TYR 10 1HB TYR 10 -3.278 5.563 6.279 75 HD1 TYR 10 1HD TYR 10 -1.509 7.233 4.728 76 HD2 TYR 10 2HD TYR 10 -5.168 8.288 6.715 77 HE1 TYR 10 1HE TYR 10 -0.739 9.586 4.898 78 HE2 TYR 10 2HE TYR 10 -4.400 10.639 6.885 79 HH TYR 10 HH TYR 10 -2.849 12.115 6.235 80 H GLN 11 H GLN 11 -5.393 6.162 2.347 81 HA GLN 11 HA GLN 11 -7.305 4.069 3.191 82 1HB GLN 11 2HB GLN 11 -7.372 6.443 1.369 83 2HB GLN 11 1HB GLN 11 -8.480 5.114 1.026 84 1HG GLN 11 2HG GLN 11 -8.429 5.739 3.867 85 2HG GLN 11 1HG GLN 11 -8.868 7.151 2.904 86 1HE2 GLN 11 1HE2 GLN 11 -10.410 6.255 0.879 87 2HE2 GLN 11 2HE2 GLN 11 -11.740 5.359 1.436 88 H VAL 12 H VAL 12 -4.828 3.140 2.266 89 HA VAL 12 HA VAL 12 -5.444 2.063 -0.427 90 HB VAL 12 HB VAL 12 -3.416 3.330 -0.427 91 1HG1 VAL 12 1HG1 VAL 12 -3.091 3.315 2.031 92 2HG1 VAL 12 2HG1 VAL 12 -1.606 2.935 1.159 93 3HG1 VAL 12 3HG1 VAL 12 -2.530 1.646 1.928 94 1HG2 VAL 12 1HG2 VAL 12 -2.857 0.355 -0.243 95 2HG2 VAL 12 2HG2 VAL 12 -1.718 1.535 -0.893 96 3HG2 VAL 12 3HG2 VAL 12 -3.263 1.264 -1.701 97 H GLU 13 H GLU 13 -6.666 0.236 0.242 98 HA GLU 13 HA GLU 13 -7.048 -1.866 1.251 99 1HB GLU 13 2HB GLU 13 -5.249 -2.233 -0.558 100 2HB GLU 13 1HB GLU 13 -4.093 -2.284 0.774 101 1HG GLU 13 2HG GLU 13 -4.638 -4.534 0.608 102 2HG GLU 13 1HG GLU 13 -5.835 -4.004 1.790 103 H LEU 14 H LEU 14 -6.802 -0.042 3.239 104 HA LEU 14 HA LEU 14 -4.687 -0.333 5.088 105 1HB LEU 14 2HB LEU 14 -7.434 0.675 5.133 106 2HB LEU 14 1HB LEU 14 -6.945 -0.026 6.676 107 HG LEU 14 HG LEU 14 -5.140 1.886 5.201 108 1HD1 LEU 14 1HD1 LEU 14 -7.537 2.479 6.924 109 2HD1 LEU 14 2HD1 LEU 14 -7.034 3.254 5.420 110 3HD1 LEU 14 3HD1 LEU 14 -6.155 3.575 6.915 111 1HD2 LEU 14 1HD2 LEU 14 -4.193 0.570 7.056 112 2HD2 LEU 14 2HD2 LEU 14 -5.489 1.119 8.120 113 3HD2 LEU 14 3HD2 LEU 14 -4.303 2.272 7.507 114 H GLY 15 H GLY 15 -5.297 -1.357 7.413 115 1HA GLY 15 2HA GLY 15 -6.848 -3.669 7.683 116 2HA GLY 15 1HA GLY 15 -5.317 -4.216 6.998 117 HA PRO 16 HA PRO 16 -3.365 -3.914 10.914 118 1HB PRO 16 2HB PRO 16 -0.963 -2.709 10.328 119 2HB PRO 16 1HB PRO 16 -1.349 -4.385 9.897 120 1HG PRO 16 2HG PRO 16 -1.222 -1.975 8.142 121 2HG PRO 16 1HG PRO 16 -0.968 -3.680 7.728 122 1HD PRO 16 2HD PRO 16 -3.314 -2.186 7.213 123 2HD PRO 16 1HD PRO 16 -3.165 -3.956 7.131 124 H GLY 17 H GLY 17 -4.979 -2.271 11.692 125 1HA GLY 17 2HA GLY 17 -4.455 0.553 11.495 126 2HA GLY 17 1HA GLY 17 -5.537 -0.206 12.663 127 HA PRO 18 HA PRO 18 -1.755 1.305 14.889 128 1HB PRO 18 2HB PRO 18 -3.079 3.096 16.500 129 2HB PRO 18 1HB PRO 18 -2.397 3.520 14.921 130 1HG PRO 18 2HG PRO 18 -5.250 3.103 15.681 131 2HG PRO 18 1HG PRO 18 -4.568 4.088 14.376 132 1HD PRO 18 2HD PRO 18 -5.749 1.531 14.082 133 2HD PRO 18 1HD PRO 18 -4.783 2.383 12.860 134 H SER 19 H SER 19 -4.918 1.335 16.587 135 HA SER 19 HA SER 19 -3.830 -0.783 18.399 136 1HB SER 19 2HB SER 19 -4.895 0.282 20.276 137 2HB SER 19 1HB SER 19 -3.975 1.526 19.435 138 HG SER 19 HG SER 19 -6.107 2.206 19.924 139 H GLY 20 H GLY 20 -5.642 -0.831 15.956 140 1HA GLY 20 2HA GLY 20 -7.347 -2.916 16.624 141 2HA GLY 20 1HA GLY 20 -8.298 -1.465 16.949 142 H ASP 21 H ASP 21 -9.757 -1.852 15.220 143 HA ASP 21 HA ASP 21 -8.590 -1.300 12.528 144 1HB ASP 21 2HB ASP 21 -10.569 -2.870 11.748 145 2HB ASP 21 1HB ASP 21 -9.029 -3.570 12.249 146 H MET 22 H MET 22 -11.829 -1.797 13.987 147 HA MET 22 HA MET 22 -12.896 0.434 12.416 148 1HB MET 22 2HB MET 22 -14.077 -1.449 14.465 149 2HB MET 22 1HB MET 22 -14.994 -0.095 13.802 150 1HG MET 22 2HG MET 22 -14.588 -0.956 11.514 151 2HG MET 22 1HG MET 22 -13.719 -2.330 12.198 152 1HE MET 22 1HE MET 22 -15.867 -2.111 10.247 153 2HE MET 22 2HE MET 22 -17.386 -1.475 10.872 154 3HE MET 22 3HE MET 22 -17.204 -3.208 10.618 155 H ALA 23 H ALA 23 -13.722 2.395 13.322 156 HA ALA 23 HA ALA 23 -13.777 3.112 16.044 157 1HB ALA 23 1HB ALA 23 -11.123 2.763 15.170 158 2HB ALA 23 2HB ALA 23 -11.651 3.535 16.664 159 3HB ALA 23 3HB ALA 23 -11.374 4.507 15.219 160 H ALA 24 H ALA 24 -15.580 3.962 14.524 161 HA ALA 24 HA ALA 24 -16.647 5.857 13.643 162 1HB ALA 24 1HB ALA 24 -15.183 6.883 15.580 163 2HB ALA 24 2HB ALA 24 -15.928 7.946 14.387 164 3HB ALA 24 3HB ALA 24 -14.222 7.520 14.245 165 H LYS 25 H LYS 25 -16.763 5.686 11.446 166 HA LYS 25 HA LYS 25 -14.825 7.026 9.777 167 1HB LYS 25 2HB LYS 25 -13.587 4.911 10.267 168 2HB LYS 25 1HB LYS 25 -14.926 4.000 9.566 169 1HG LYS 25 2HG LYS 25 -12.987 4.456 7.986 170 2HG LYS 25 1HG LYS 25 -14.568 4.976 7.402 171 1HD LYS 25 2HD LYS 25 -14.124 7.257 7.911 172 2HD LYS 25 1HD LYS 25 -12.724 6.842 8.900 173 1HE LYS 25 2HE LYS 25 -11.548 6.017 6.893 174 2HE LYS 25 1HE LYS 25 -12.946 6.435 5.903 175 1HZ LYS 25 1HZ LYS 25 -11.998 8.419 5.686 176 2HZ LYS 25 2HZ LYS 25 -10.870 8.118 6.921 177 3HZ LYS 25 3HZ LYS 25 -12.415 8.711 7.304 178 H MET 26 H MET 26 -17.346 7.656 9.761 179 HA MET 26 HA MET 26 -18.348 6.644 7.180 180 1HB MET 26 2HB MET 26 -19.324 5.151 8.982 181 2HB MET 26 1HB MET 26 -20.137 6.579 9.625 182 1HG MET 26 2HG MET 26 -21.786 6.283 8.126 183 2HG MET 26 1HG MET 26 -20.621 6.552 6.830 184 1HE MET 26 1HE MET 26 -20.405 3.576 9.461 185 2HE MET 26 2HE MET 26 -21.656 2.531 8.790 186 3HE MET 26 3HE MET 26 -22.077 4.146 9.353 187 H SER 27 H SER 27 -18.950 8.438 6.063 188 HA SER 27 HA SER 27 -20.324 10.631 7.515 189 1HB SER 27 2HB SER 27 -17.727 10.962 7.259 190 2HB SER 27 1HB SER 27 -18.131 11.343 5.589 191 HG SER 27 HG SER 27 -18.483 12.807 7.848 192 H LYS 28 H LYS 28 -21.781 11.758 6.208 193 HA LYS 28 HA LYS 28 -21.839 11.064 3.310 194 1HB LYS 28 2HB LYS 28 -24.096 10.786 5.306 195 2HB LYS 28 1HB LYS 28 -24.389 10.920 3.571 196 1HG LYS 28 2HG LYS 28 -22.896 8.959 3.199 197 2HG LYS 28 1HG LYS 28 -22.720 8.795 4.947 198 1HD LYS 28 2HD LYS 28 -25.211 8.575 5.123 199 2HD LYS 28 1HD LYS 28 -25.292 8.574 3.361 200 1HE LYS 28 2HE LYS 28 -23.323 6.681 3.977 201 2HE LYS 28 1HE LYS 28 -24.595 6.404 5.167 202 1HZ LYS 28 1HZ LYS 28 -25.133 6.692 2.267 203 2HZ LYS 28 2HZ LYS 28 -26.189 6.128 3.471 204 3HZ LYS 28 3HZ LYS 28 -24.851 5.193 3.005 205 H LYS 29 H LYS 29 -21.815 12.970 2.221 206 HA LYS 29 HA LYS 29 -22.223 15.510 3.459 207 1HB LYS 29 2HB LYS 29 -21.241 14.655 1.032 208 2HB LYS 29 1HB LYS 29 -22.762 15.418 0.566 209 1HG LYS 29 2HG LYS 29 -21.920 17.305 2.248 210 2HG LYS 29 1HG LYS 29 -20.342 16.634 1.835 211 1HD LYS 29 2HD LYS 29 -20.846 16.935 -0.568 212 2HD LYS 29 1HD LYS 29 -22.414 17.626 -0.146 213 1HE LYS 29 2HE LYS 29 -21.330 19.618 -0.162 214 2HE LYS 29 1HE LYS 29 -20.693 19.116 1.404 215 1HZ LYS 29 1HZ LYS 29 -19.383 19.225 -1.184 216 2HZ LYS 29 2HZ LYS 29 -19.012 17.871 -0.228 217 3HZ LYS 29 3HZ LYS 29 -18.738 19.437 0.369 218 H LYS 30 H LYS 30 -23.948 17.041 2.135 219 HA LYS 30 HA LYS 30 -26.455 16.623 3.228 220 1HB LYS 30 2HB LYS 30 -25.355 18.298 1.154 221 2HB LYS 30 1HB LYS 30 -26.961 17.745 0.678 222 1HG LYS 30 2HG LYS 30 -26.694 18.608 3.501 223 2HG LYS 30 1HG LYS 30 -26.542 19.887 2.296 224 1HD LYS 30 2HD LYS 30 -28.827 19.902 2.458 225 2HD LYS 30 1HD LYS 30 -28.685 18.586 1.291 226 1HE LYS 30 2HE LYS 30 -28.730 16.941 3.120 227 2HE LYS 30 1HE LYS 30 -28.834 18.245 4.303 228 1HZ LYS 30 1HZ LYS 30 -30.999 17.210 3.694 229 2HZ LYS 30 2HZ LYS 30 -30.812 17.844 2.129 230 3HZ LYS 30 3HZ LYS 30 -30.939 18.890 3.463 231 H ALA 31 H ALA 31 -27.892 14.991 3.002 232 HA ALA 31 HA ALA 31 -28.072 13.637 0.340 233 1HB ALA 31 1HB ALA 31 -27.925 11.560 1.282 234 2HB ALA 31 2HB ALA 31 -28.775 12.053 2.745 235 3HB ALA 31 3HB ALA 31 -27.062 12.425 2.553 236 H GLY 32 H GLY 32 -30.062 14.005 -0.499 237 1HA GLY 32 2HA GLY 32 -32.239 15.075 1.050 238 2HA GLY 32 1HA GLY 32 -32.360 14.490 -0.609 239 H ARG 33 H ARG 33 -33.708 12.783 -0.828 240 HA ARG 33 HA ARG 33 -34.900 11.387 1.326 241 1HB ARG 33 2HB ARG 33 -35.355 11.462 -1.339 242 2HB ARG 33 1HB ARG 33 -34.552 9.896 -1.222 243 1HG ARG 33 2HG ARG 33 -36.893 10.732 0.511 244 2HG ARG 33 1HG ARG 33 -37.046 9.762 -0.955 245 1HD ARG 33 2HD ARG 33 -35.004 8.540 0.559 246 2HD ARG 33 1HD ARG 33 -36.289 8.919 1.707 247 HE ARG 33 HE ARG 33 -37.282 7.674 -0.736 248 1HH1 ARG 33 1HH2 ARG 33 -38.167 7.403 2.229 249 2HH1 ARG 33 2HH2 ARG 33 -37.818 5.727 2.498 250 1HH2 ARG 33 1HH1 ARG 33 -35.843 5.412 -0.335 251 2HH2 ARG 33 2HH1 ARG 33 -36.504 4.600 1.045 252 H GLY 34 H GLY 34 -32.069 10.534 -0.660 253 1HA GLY 34 2HA GLY 34 -30.739 9.163 1.448 254 2HA GLY 34 1HA GLY 34 -31.596 7.966 0.475 Start of MODEL 10 1 1H MET 1 1HT MET 1 2.633 26.540 -6.820 2 2H MET 1 2HT MET 1 1.531 25.479 -6.081 3 3H MET 1 3HT MET 1 1.079 26.346 -7.471 4 HA MET 1 HA MET 1 2.622 25.131 -8.820 5 1HB MET 1 2HB MET 1 3.799 23.164 -7.655 6 2HB MET 1 1HB MET 1 4.446 24.772 -7.334 7 1HG MET 1 2HG MET 1 3.137 24.883 -5.244 8 2HG MET 1 1HG MET 1 2.499 23.269 -5.560 9 1HE MET 1 1HE MET 1 5.569 20.998 -5.509 10 2HE MET 1 2HE MET 1 5.267 21.976 -6.943 11 3HE MET 1 3HE MET 1 3.911 21.282 -6.055 12 H GLY 2 H GLY 2 1.423 23.690 -9.970 13 1HA GLY 2 2HA GLY 2 0.043 21.801 -10.369 14 2HA GLY 2 1HA GLY 2 -0.032 21.526 -8.628 15 H LYS 3 H LYS 3 -2.262 21.403 -8.364 16 HA LYS 3 HA LYS 3 -3.720 23.941 -8.504 17 1HB LYS 3 2HB LYS 3 -5.589 22.845 -9.866 18 2HB LYS 3 1HB LYS 3 -4.135 23.285 -10.761 19 1HG LYS 3 2HG LYS 3 -3.474 21.093 -11.045 20 2HG LYS 3 1HG LYS 3 -4.241 20.558 -9.549 21 1HD LYS 3 2HD LYS 3 -6.470 21.165 -10.793 22 2HD LYS 3 1HD LYS 3 -5.482 21.023 -12.247 23 1HE LYS 3 2HE LYS 3 -4.756 18.781 -10.802 24 2HE LYS 3 1HE LYS 3 -6.481 18.922 -10.460 25 1HZ LYS 3 1HZ LYS 3 -6.827 18.023 -12.441 26 2HZ LYS 3 2HZ LYS 3 -5.185 18.128 -12.860 27 3HZ LYS 3 3HZ LYS 3 -6.223 19.442 -13.144 28 H ALA 4 H ALA 4 -3.422 23.079 -6.165 29 HA ALA 4 HA ALA 4 -4.553 22.339 -4.243 30 1HB ALA 4 1HB ALA 4 -6.845 22.306 -4.324 31 2HB ALA 4 2HB ALA 4 -6.881 21.304 -5.776 32 3HB ALA 4 3HB ALA 4 -6.566 23.035 -5.906 33 H GLU 5 H GLU 5 -5.854 20.158 -3.546 34 HA GLU 5 HA GLU 5 -5.414 17.753 -4.988 35 1HB GLU 5 2HB GLU 5 -2.994 18.778 -4.198 36 2HB GLU 5 1HB GLU 5 -3.388 17.719 -2.842 37 1HG GLU 5 2HG GLU 5 -4.034 16.034 -4.793 38 2HG GLU 5 1HG GLU 5 -2.897 17.023 -5.711 39 H ASN 6 H ASN 6 -4.683 16.096 -2.723 40 HA ASN 6 HA ASN 6 -6.630 16.794 -0.612 41 1HB ASN 6 2HB ASN 6 -7.320 15.067 -2.770 42 2HB ASN 6 1HB ASN 6 -7.125 14.062 -1.333 43 1HD2 ASN 6 1HD2 ASN 6 -9.451 13.736 -1.096 44 2HD2 ASN 6 2HD2 ASN 6 -10.473 14.993 -0.590 45 H TYR 7 H TYR 7 -6.681 14.564 0.869 46 HA TYR 7 HA TYR 7 -3.893 14.284 1.718 47 1HB TYR 7 2HB TYR 7 -5.921 12.551 2.987 48 2HB TYR 7 1HB TYR 7 -4.741 13.627 3.725 49 HD1 TYR 7 1HD TYR 7 -8.168 13.248 2.615 50 HD2 TYR 7 2HD TYR 7 -5.190 16.110 3.795 51 HE1 TYR 7 1HE TYR 7 -9.942 14.939 2.988 52 HE2 TYR 7 2HE TYR 7 -6.964 17.802 4.168 53 HH TYR 7 HH TYR 7 -9.220 18.068 4.436 54 H GLU 8 H GLU 8 -6.421 11.828 1.186 55 HA GLU 8 HA GLU 8 -6.227 9.628 0.371 56 1HB GLU 8 2HB GLU 8 -5.021 11.428 -1.503 57 2HB GLU 8 1HB GLU 8 -4.065 9.947 -1.464 58 1HG GLU 8 2HG GLU 8 -6.232 8.657 -1.688 59 2HG GLU 8 1HG GLU 8 -7.036 10.199 -1.988 60 H LEU 9 H LEU 9 -5.232 9.142 2.561 61 HA LEU 9 HA LEU 9 -2.307 8.782 2.534 62 1HB LEU 9 2HB LEU 9 -4.114 9.436 4.504 63 2HB LEU 9 1HB LEU 9 -3.847 7.728 4.811 64 HG LEU 9 HG LEU 9 -2.121 8.634 6.066 65 1HD1 LEU 9 1HD1 LEU 9 -0.389 8.964 3.717 66 2HD1 LEU 9 2HD1 LEU 9 -1.294 7.454 3.708 67 3HD1 LEU 9 3HD1 LEU 9 -0.247 7.843 5.070 68 1HD2 LEU 9 1HD2 LEU 9 -2.477 10.891 4.197 69 2HD2 LEU 9 2HD2 LEU 9 -0.829 10.673 4.786 70 3HD2 LEU 9 3HD2 LEU 9 -2.153 10.902 5.930 71 H TYR 10 H TYR 10 -2.664 6.395 4.378 72 HA TYR 10 HA TYR 10 -2.439 4.374 2.334 73 1HB TYR 10 2HB TYR 10 -2.620 2.833 4.459 74 2HB TYR 10 1HB TYR 10 -1.182 3.812 4.193 75 HD1 TYR 10 1HD TYR 10 -4.512 5.070 5.253 76 HD2 TYR 10 2HD TYR 10 -0.493 4.162 6.452 77 HE1 TYR 10 1HE TYR 10 -4.904 6.213 7.418 78 HE2 TYR 10 2HE TYR 10 -0.882 5.309 8.618 79 HH TYR 10 HH TYR 10 -2.551 6.078 10.016 80 H GLN 11 H GLN 11 -5.158 5.869 3.505 81 HA GLN 11 HA GLN 11 -6.859 3.437 3.411 82 1HB GLN 11 2HB GLN 11 -7.046 6.013 4.687 83 2HB GLN 11 1HB GLN 11 -8.437 5.795 3.624 84 1HG GLN 11 2HG GLN 11 -7.767 3.382 5.155 85 2HG GLN 11 1HG GLN 11 -8.204 4.752 6.175 86 1HE2 GLN 11 1HE2 GLN 11 -9.423 2.482 3.771 87 2HE2 GLN 11 2HE2 GLN 11 -11.049 2.958 3.876 88 H VAL 12 H VAL 12 -5.411 4.424 1.103 89 HA VAL 12 HA VAL 12 -7.504 5.529 -0.655 90 HB VAL 12 HB VAL 12 -5.376 6.621 -0.852 91 1HG1 VAL 12 1HG1 VAL 12 -4.011 4.882 0.181 92 2HG1 VAL 12 2HG1 VAL 12 -3.323 5.327 -1.380 93 3HG1 VAL 12 3HG1 VAL 12 -4.244 3.833 -1.216 94 1HG2 VAL 12 1HG2 VAL 12 -5.649 6.664 -3.090 95 2HG2 VAL 12 2HG2 VAL 12 -6.563 5.157 -3.008 96 3HG2 VAL 12 3HG2 VAL 12 -4.812 5.118 -3.223 97 H GLU 13 H GLU 13 -8.697 3.404 -0.467 98 HA GLU 13 HA GLU 13 -9.220 1.245 -1.246 99 1HB GLU 13 2HB GLU 13 -7.977 2.683 -3.575 100 2HB GLU 13 1HB GLU 13 -8.427 0.985 -3.742 101 1HG GLU 13 2HG GLU 13 -10.581 2.332 -2.440 102 2HG GLU 13 1HG GLU 13 -10.130 3.280 -3.858 103 H LEU 14 H LEU 14 -7.129 1.013 0.427 104 HA LEU 14 HA LEU 14 -4.652 0.123 -0.459 105 1HB LEU 14 2HB LEU 14 -4.403 -0.943 1.628 106 2HB LEU 14 1HB LEU 14 -5.567 0.336 1.950 107 HG LEU 14 HG LEU 14 -6.132 -2.607 1.519 108 1HD1 LEU 14 1HD1 LEU 14 -6.388 -0.648 3.797 109 2HD1 LEU 14 2HD1 LEU 14 -5.630 -2.242 3.790 110 3HD1 LEU 14 3HD1 LEU 14 -7.387 -2.101 3.746 111 1HD2 LEU 14 1HD2 LEU 14 -7.770 -1.227 0.274 112 2HD2 LEU 14 2HD2 LEU 14 -8.100 -0.304 1.739 113 3HD2 LEU 14 3HD2 LEU 14 -8.518 -2.016 1.661 114 H GLY 15 H GLY 15 -3.994 -2.373 -0.220 115 1HA GLY 15 2HA GLY 15 -5.747 -4.445 -0.945 116 2HA GLY 15 1HA GLY 15 -5.212 -3.714 -2.458 117 HA PRO 16 HA PRO 16 -1.491 -6.025 -2.184 118 1HB PRO 16 2HB PRO 16 0.187 -4.385 -3.595 119 2HB PRO 16 1HB PRO 16 -1.090 -5.354 -4.351 120 1HG PRO 16 2HG PRO 16 -1.003 -2.419 -3.878 121 2HG PRO 16 1HG PRO 16 -1.918 -3.334 -5.087 122 1HD PRO 16 2HD PRO 16 -2.931 -2.255 -2.657 123 2HD PRO 16 1HD PRO 16 -3.774 -3.371 -3.752 124 H GLY 17 H GLY 17 1.060 -5.221 -2.082 125 1HA GLY 17 2HA GLY 17 1.590 -3.182 -0.082 126 2HA GLY 17 1HA GLY 17 1.680 -4.809 0.596 127 HA PRO 18 HA PRO 18 5.822 -3.973 -1.169 128 1HB PRO 18 2HB PRO 18 7.175 -4.911 1.032 129 2HB PRO 18 1HB PRO 18 6.624 -3.235 0.862 130 1HG PRO 18 2HG PRO 18 5.503 -5.413 2.560 131 2HG PRO 18 1HG PRO 18 5.425 -3.659 2.790 132 1HD PRO 18 2HD PRO 18 3.342 -5.301 1.789 133 2HD PRO 18 1HD PRO 18 3.395 -3.525 1.732 134 H SER 19 H SER 19 4.067 -6.702 -0.113 135 HA SER 19 HA SER 19 5.963 -8.797 -0.310 136 1HB SER 19 2HB SER 19 3.025 -8.557 -0.506 137 2HB SER 19 1HB SER 19 3.707 -9.948 -1.340 138 HG SER 19 HG SER 19 4.976 -10.050 0.809 139 H GLY 20 H GLY 20 3.538 -8.829 -2.837 140 1HA GLY 20 2HA GLY 20 5.752 -9.018 -4.828 141 2HA GLY 20 1HA GLY 20 4.142 -9.705 -5.043 142 H ASP 21 H ASP 21 4.100 -8.514 -7.109 143 HA ASP 21 HA ASP 21 3.229 -6.735 -8.375 144 1HB ASP 21 2HB ASP 21 2.750 -5.196 -5.831 145 2HB ASP 21 1HB ASP 21 1.815 -5.179 -7.327 146 H MET 22 H MET 22 4.480 -5.273 -9.445 147 HA MET 22 HA MET 22 6.717 -4.011 -7.923 148 1HB MET 22 2HB MET 22 7.223 -5.463 -9.945 149 2HB MET 22 1HB MET 22 6.427 -4.235 -10.930 150 1HG MET 22 2HG MET 22 8.015 -2.547 -10.210 151 2HG MET 22 1HG MET 22 8.747 -3.669 -9.064 152 1HE MET 22 1HE MET 22 7.665 -5.239 -12.646 153 2HE MET 22 2HE MET 22 8.624 -4.109 -13.599 154 3HE MET 22 3HE MET 22 7.393 -3.498 -12.496 155 H ALA 23 H ALA 23 4.199 -3.299 -10.345 156 HA ALA 23 HA ALA 23 3.124 -1.278 -10.854 157 1HB ALA 23 1HB ALA 23 3.034 0.421 -9.037 158 2HB ALA 23 2HB ALA 23 4.229 -0.512 -8.135 159 3HB ALA 23 3HB ALA 23 2.635 -1.196 -8.456 160 H ALA 24 H ALA 24 5.274 -1.439 -12.316 161 HA ALA 24 HA ALA 24 6.879 1.035 -11.828 162 1HB ALA 24 1HB ALA 24 8.428 -0.714 -12.015 163 2HB ALA 24 2HB ALA 24 8.360 -0.100 -13.668 164 3HB ALA 24 3HB ALA 24 7.471 -1.560 -13.232 165 H LYS 25 H LYS 25 6.275 2.732 -13.070 166 HA LYS 25 HA LYS 25 5.538 3.953 -14.936 167 1HB LYS 25 2HB LYS 25 5.903 1.357 -16.457 168 2HB LYS 25 1HB LYS 25 5.843 2.984 -17.135 169 1HG LYS 25 2HG LYS 25 7.906 2.246 -15.064 170 2HG LYS 25 1HG LYS 25 8.177 1.915 -16.776 171 1HD LYS 25 2HD LYS 25 7.413 4.446 -17.036 172 2HD LYS 25 1HD LYS 25 7.969 4.545 -15.364 173 1HE LYS 25 2HE LYS 25 10.031 4.851 -16.258 174 2HE LYS 25 1HE LYS 25 9.995 3.117 -16.575 175 1HZ LYS 25 1HZ LYS 25 10.453 4.737 -18.506 176 2HZ LYS 25 2HZ LYS 25 8.773 4.997 -18.484 177 3HZ LYS 25 3HZ LYS 25 9.390 3.438 -18.761 178 H MET 26 H MET 26 3.453 3.747 -13.636 179 HA MET 26 HA MET 26 1.331 2.834 -15.434 180 1HB MET 26 2HB MET 26 2.245 1.029 -13.489 181 2HB MET 26 1HB MET 26 0.771 1.719 -12.809 182 1HG MET 26 2HG MET 26 -0.499 1.117 -14.774 183 2HG MET 26 1HG MET 26 0.963 0.614 -15.623 184 1HE MET 26 1HE MET 26 -2.020 -1.465 -13.693 185 2HE MET 26 2HE MET 26 -1.673 0.241 -13.419 186 3HE MET 26 3HE MET 26 -1.281 -0.941 -12.173 187 H SER 27 H SER 27 -0.280 4.332 -15.269 188 HA SER 27 HA SER 27 -0.595 5.750 -12.657 189 1HB SER 27 2HB SER 27 -0.904 7.087 -15.351 190 2HB SER 27 1HB SER 27 -0.840 7.854 -13.767 191 HG SER 27 HG SER 27 1.216 7.998 -14.190 192 H LYS 28 H LYS 28 -2.785 7.069 -12.793 193 HA LYS 28 HA LYS 28 -4.858 5.653 -14.353 194 1HB LYS 28 2HB LYS 28 -4.464 5.400 -11.412 195 2HB LYS 28 1HB LYS 28 -6.122 5.632 -11.968 196 1HG LYS 28 2HG LYS 28 -6.237 3.529 -12.778 197 2HG LYS 28 1HG LYS 28 -4.695 3.700 -13.620 198 1HD LYS 28 2HD LYS 28 -3.452 3.088 -11.676 199 2HD LYS 28 1HD LYS 28 -4.864 3.256 -10.633 200 1HE LYS 28 2HE LYS 28 -5.801 1.427 -12.403 201 2HE LYS 28 1HE LYS 28 -4.086 1.014 -12.411 202 1HZ LYS 28 1HZ LYS 28 -4.280 1.103 -9.892 203 2HZ LYS 28 2HZ LYS 28 -4.985 -0.229 -10.677 204 3HZ LYS 28 3HZ LYS 28 -5.959 1.049 -10.124 205 H LYS 29 H LYS 29 -7.091 6.742 -13.716 206 HA LYS 29 HA LYS 29 -8.350 8.723 -13.677 207 1HB LYS 29 2HB LYS 29 -6.068 9.293 -11.820 208 2HB LYS 29 1HB LYS 29 -7.120 10.626 -12.298 209 1HG LYS 29 2HG LYS 29 -9.037 9.603 -11.367 210 2HG LYS 29 1HG LYS 29 -8.261 8.019 -11.295 211 1HD LYS 29 2HD LYS 29 -8.210 8.792 -9.058 212 2HD LYS 29 1HD LYS 29 -6.587 9.121 -9.668 213 1HE LYS 29 2HE LYS 29 -8.223 11.362 -10.326 214 2HE LYS 29 1HE LYS 29 -8.492 10.984 -8.625 215 1HZ LYS 29 1HZ LYS 29 -6.642 12.294 -8.496 216 2HZ LYS 29 2HZ LYS 29 -6.015 11.771 -9.986 217 3HZ LYS 29 3HZ LYS 29 -5.911 10.768 -8.620 218 H LYS 30 H LYS 30 -8.570 10.076 -15.395 219 HA LYS 30 HA LYS 30 -6.163 10.848 -16.918 220 1HB LYS 30 2HB LYS 30 -9.136 11.055 -17.417 221 2HB LYS 30 1HB LYS 30 -7.967 11.871 -18.457 222 1HG LYS 30 2HG LYS 30 -7.748 9.931 -19.583 223 2HG LYS 30 1HG LYS 30 -6.965 9.269 -18.149 224 1HD LYS 30 2HD LYS 30 -9.867 9.328 -17.870 225 2HD LYS 30 1HD LYS 30 -9.356 8.375 -19.265 226 1HE LYS 30 2HE LYS 30 -7.878 8.000 -16.693 227 2HE LYS 30 1HE LYS 30 -9.487 7.290 -16.836 228 1HZ LYS 30 1HZ LYS 30 -7.073 6.363 -17.916 229 2HZ LYS 30 2HZ LYS 30 -8.103 6.774 -19.203 230 3HZ LYS 30 3HZ LYS 30 -8.613 5.661 -18.025 231 H ALA 31 H ALA 31 -6.431 12.072 -14.333 232 HA ALA 31 HA ALA 31 -7.091 14.890 -15.084 233 1HB ALA 31 1HB ALA 31 -6.667 14.210 -12.229 234 2HB ALA 31 2HB ALA 31 -8.088 13.483 -12.980 235 3HB ALA 31 3HB ALA 31 -7.894 15.236 -12.973 236 H GLY 32 H GLY 32 -4.528 13.222 -15.427 237 1HA GLY 32 2HA GLY 32 -2.713 15.361 -14.575 238 2HA GLY 32 1HA GLY 32 -2.432 13.812 -13.780 239 H ARG 33 H ARG 33 -2.852 11.992 -15.780 240 HA ARG 33 HA ARG 33 -0.666 12.685 -17.686 241 1HB ARG 33 2HB ARG 33 -0.714 10.573 -16.084 242 2HB ARG 33 1HB ARG 33 -1.725 9.899 -17.363 243 1HG ARG 33 2HG ARG 33 0.354 11.088 -18.763 244 2HG ARG 33 1HG ARG 33 1.158 10.408 -17.348 245 1HD ARG 33 2HD ARG 33 -0.767 8.511 -18.318 246 2HD ARG 33 1HD ARG 33 0.251 9.027 -19.662 247 HE ARG 33 HE ARG 33 1.982 8.498 -17.500 248 1HH1 ARG 33 1HH1 ARG 33 2.040 7.162 -20.229 249 2HH1 ARG 33 2HH1 ARG 33 1.798 5.501 -19.800 250 1HH2 ARG 33 1HH2 ARG 33 0.655 6.219 -16.604 251 2HH2 ARG 33 2HH2 ARG 33 1.014 4.968 -17.747 252 H GLY 34 H GLY 34 -3.699 13.259 -17.837 253 1HA GLY 34 2HA GLY 34 -4.399 11.715 -20.268 254 2HA GLY 34 1HA GLY 34 -5.484 12.789 -19.382 Start of MODEL 11 1 1H MET 1 1HT MET 1 6.567 9.320 -10.681 2 2H MET 1 2HT MET 1 6.325 10.627 -9.622 3 3H MET 1 3HT MET 1 7.752 9.711 -9.531 4 HA MET 1 HA MET 1 8.746 11.044 -10.968 5 1HB MET 1 2HB MET 1 7.643 9.449 -12.621 6 2HB MET 1 1HB MET 1 6.391 10.673 -12.833 7 1HG MET 1 2HG MET 1 7.794 12.114 -13.948 8 2HG MET 1 1HG MET 1 9.218 11.589 -13.050 9 1HE MET 1 1HE MET 1 10.249 10.834 -16.688 10 2HE MET 1 2HE MET 1 10.645 11.638 -15.171 11 3HE MET 1 3HE MET 1 9.257 12.181 -16.110 12 H GLY 2 H GLY 2 7.821 12.604 -9.160 13 1HA GLY 2 2HA GLY 2 7.229 14.854 -8.793 14 2HA GLY 2 1HA GLY 2 6.972 15.018 -10.530 15 H LYS 3 H LYS 3 5.319 15.627 -7.942 16 HA LYS 3 HA LYS 3 3.032 15.706 -7.430 17 1HB LYS 3 2HB LYS 3 3.185 16.039 -10.131 18 2HB LYS 3 1HB LYS 3 2.188 14.587 -10.036 19 1HG LYS 3 2HG LYS 3 0.408 15.827 -9.446 20 2HG LYS 3 1HG LYS 3 1.286 16.436 -8.042 21 1HD LYS 3 2HD LYS 3 2.119 18.303 -9.217 22 2HD LYS 3 1HD LYS 3 1.780 17.575 -10.788 23 1HE LYS 3 2HE LYS 3 -0.610 17.851 -9.110 24 2HE LYS 3 1HE LYS 3 0.150 19.395 -9.494 25 1HZ LYS 3 1HZ LYS 3 -1.246 17.558 -11.212 26 2HZ LYS 3 2HZ LYS 3 0.243 18.075 -11.848 27 3HZ LYS 3 3HZ LYS 3 -0.941 19.215 -11.415 28 H ALA 4 H ALA 4 4.421 13.386 -6.661 29 HA ALA 4 HA ALA 4 2.397 11.241 -7.170 30 1HB ALA 4 1HB ALA 4 5.161 10.730 -6.083 31 2HB ALA 4 2HB ALA 4 4.903 10.915 -7.818 32 3HB ALA 4 3HB ALA 4 4.088 9.622 -6.939 33 H GLU 5 H GLU 5 1.983 13.299 -5.223 34 HA GLU 5 HA GLU 5 2.220 11.691 -2.710 35 1HB GLU 5 2HB GLU 5 2.975 14.465 -3.286 36 2HB GLU 5 1HB GLU 5 1.909 14.319 -1.889 37 1HG GLU 5 2HG GLU 5 4.130 14.084 -1.037 38 2HG GLU 5 1HG GLU 5 3.454 12.455 -1.074 39 H ASN 6 H ASN 6 0.329 11.468 -1.527 40 HA ASN 6 HA ASN 6 -2.078 12.882 -2.606 41 1HB ASN 6 2HB ASN 6 -1.560 10.030 -2.028 42 2HB ASN 6 1HB ASN 6 -3.091 10.642 -1.403 43 1HD2 ASN 6 1HD2 ASN 6 -4.745 10.342 -2.896 44 2HD2 ASN 6 2HD2 ASN 6 -4.575 10.450 -4.581 45 H TYR 7 H TYR 7 -3.820 13.160 -0.948 46 HA TYR 7 HA TYR 7 -2.637 14.004 1.607 47 1HB TYR 7 2HB TYR 7 -5.567 14.174 1.310 48 2HB TYR 7 1HB TYR 7 -4.410 15.417 1.773 49 HD1 TYR 7 1HD TYR 7 -6.672 14.466 -0.714 50 HD2 TYR 7 2HD TYR 7 -2.734 16.108 -0.228 51 HE1 TYR 7 1HE TYR 7 -6.794 15.431 -2.994 52 HE2 TYR 7 2HE TYR 7 -2.855 17.074 -2.507 53 HH TYR 7 HH TYR 7 -4.172 17.471 -4.267 54 H GLU 8 H GLU 8 -5.206 11.810 0.502 55 HA GLU 8 HA GLU 8 -5.130 10.498 3.183 56 1HB GLU 8 2HB GLU 8 -7.207 10.165 0.997 57 2HB GLU 8 1HB GLU 8 -7.325 9.615 2.670 58 1HG GLU 8 2HG GLU 8 -7.086 12.516 1.816 59 2HG GLU 8 1HG GLU 8 -8.590 11.722 2.290 60 H LEU 9 H LEU 9 -2.979 9.654 2.116 61 HA LEU 9 HA LEU 9 -3.391 7.472 0.182 62 1HB LEU 9 2HB LEU 9 -1.357 8.966 0.160 63 2HB LEU 9 1HB LEU 9 -0.866 8.224 1.683 64 HG LEU 9 HG LEU 9 -1.570 6.178 -0.234 65 1HD1 LEU 9 1HD1 LEU 9 -0.272 8.484 -1.351 66 2HD1 LEU 9 2HD1 LEU 9 -0.675 6.961 -2.144 67 3HD1 LEU 9 3HD1 LEU 9 0.875 7.146 -1.322 68 1HD2 LEU 9 1HD2 LEU 9 -0.039 6.228 1.891 69 2HD2 LEU 9 2HD2 LEU 9 1.200 6.796 0.773 70 3HD2 LEU 9 3HD2 LEU 9 0.439 5.225 0.522 71 H TYR 10 H TYR 10 -4.157 7.657 3.294 72 HA TYR 10 HA TYR 10 -2.855 5.197 4.246 73 1HB TYR 10 2HB TYR 10 -5.135 6.313 5.755 74 2HB TYR 10 1HB TYR 10 -3.547 5.822 6.323 75 HD1 TYR 10 1HD TYR 10 -1.671 7.391 4.802 76 HD2 TYR 10 2HD TYR 10 -5.498 8.547 6.374 77 HE1 TYR 10 1HE TYR 10 -0.938 9.760 4.842 78 HE2 TYR 10 2HE TYR 10 -4.766 10.916 6.413 79 HH TYR 10 HH TYR 10 -1.925 11.987 4.833 80 H GLN 11 H GLN 11 -5.537 5.947 2.342 81 HA GLN 11 HA GLN 11 -7.172 3.673 3.280 82 1HB GLN 11 2HB GLN 11 -8.623 4.403 1.308 83 2HB GLN 11 1HB GLN 11 -8.451 5.585 2.601 84 1HG GLN 11 2HG GLN 11 -7.391 7.050 1.246 85 2HG GLN 11 1HG GLN 11 -6.325 5.797 0.607 86 1HE2 GLN 11 1HE2 GLN 11 -8.715 7.925 -0.350 87 2HE2 GLN 11 2HE2 GLN 11 -9.300 7.087 -1.706 88 H VAL 12 H VAL 12 -4.575 3.054 2.369 89 HA VAL 12 HA VAL 12 -5.000 1.860 -0.305 90 HB VAL 12 HB VAL 12 -3.060 3.222 -0.241 91 1HG1 VAL 12 1HG1 VAL 12 -2.866 3.477 2.161 92 2HG1 VAL 12 2HG1 VAL 12 -1.319 2.917 1.520 93 3HG1 VAL 12 3HG1 VAL 12 -2.398 1.784 2.337 94 1HG2 VAL 12 1HG2 VAL 12 -1.862 0.524 0.339 95 2HG2 VAL 12 2HG2 VAL 12 -1.406 1.694 -0.899 96 3HG2 VAL 12 3HG2 VAL 12 -2.881 0.744 -1.082 97 H GLU 13 H GLU 13 -6.367 0.182 0.838 98 HA GLU 13 HA GLU 13 -6.633 -1.894 1.928 99 1HB GLU 13 2HB GLU 13 -4.130 -2.130 0.269 100 2HB GLU 13 1HB GLU 13 -4.686 -3.491 1.243 101 1HG GLU 13 2HG GLU 13 -6.925 -3.301 0.137 102 2HG GLU 13 1HG GLU 13 -6.254 -2.054 -0.916 103 H LEU 14 H LEU 14 -5.614 0.021 3.702 104 HA LEU 14 HA LEU 14 -3.218 -0.497 5.032 105 1HB LEU 14 2HB LEU 14 -5.120 1.215 5.568 106 2HB LEU 14 1HB LEU 14 -5.745 -0.062 6.612 107 HG LEU 14 HG LEU 14 -2.853 0.769 6.769 108 1HD1 LEU 14 1HD1 LEU 14 -4.942 2.548 7.201 109 2HD1 LEU 14 2HD1 LEU 14 -3.320 2.682 7.881 110 3HD1 LEU 14 3HD1 LEU 14 -4.606 1.916 8.812 111 1HD2 LEU 14 1HD2 LEU 14 -4.588 -1.102 8.088 112 2HD2 LEU 14 2HD2 LEU 14 -4.062 0.104 9.261 113 3HD2 LEU 14 3HD2 LEU 14 -2.868 -0.827 8.358 114 H GLY 15 H GLY 15 -2.673 -1.889 6.830 115 1HA GLY 15 2HA GLY 15 -4.244 -3.792 8.102 116 2HA GLY 15 1HA GLY 15 -3.783 -4.563 6.583 117 HA PRO 16 HA PRO 16 -0.328 -4.859 9.769 118 1HB PRO 16 2HB PRO 16 -0.769 -7.441 10.605 119 2HB PRO 16 1HB PRO 16 -1.450 -6.020 11.417 120 1HG PRO 16 2HG PRO 16 -2.809 -8.004 9.653 121 2HG PRO 16 1HG PRO 16 -3.488 -6.999 10.943 122 1HD PRO 16 2HD PRO 16 -3.704 -6.499 8.164 123 2HD PRO 16 1HD PRO 16 -4.084 -5.350 9.466 124 H GLY 17 H GLY 17 0.725 -4.849 7.566 125 1HA GLY 17 2HA GLY 17 0.932 -7.157 5.918 126 2HA GLY 17 1HA GLY 17 2.125 -5.859 5.974 127 HA PRO 18 HA PRO 18 3.827 -9.746 7.967 128 1HB PRO 18 2HB PRO 18 5.569 -10.441 5.956 129 2HB PRO 18 1HB PRO 18 3.912 -11.060 6.074 130 1HG PRO 18 2HG PRO 18 5.021 -9.010 4.213 131 2HG PRO 18 1HG PRO 18 3.637 -10.092 3.993 132 1HD PRO 18 2HD PRO 18 3.502 -7.349 4.676 133 2HD PRO 18 1HD PRO 18 2.168 -8.517 4.781 134 H SER 19 H SER 19 4.820 -6.741 6.848 135 HA SER 19 HA SER 19 7.383 -6.975 8.357 136 1HB SER 19 2HB SER 19 6.956 -5.850 5.592 137 2HB SER 19 1HB SER 19 8.288 -5.294 6.601 138 HG SER 19 HG SER 19 7.751 -7.889 5.616 139 H GLY 20 H GLY 20 8.174 -4.787 9.059 140 1HA GLY 20 2HA GLY 20 7.032 -2.332 8.924 141 2HA GLY 20 1HA GLY 20 5.889 -3.172 9.972 142 H ASP 21 H ASP 21 6.460 -1.822 11.774 143 HA ASP 21 HA ASP 21 9.260 -1.992 12.736 144 1HB ASP 21 2HB ASP 21 7.863 0.172 12.735 145 2HB ASP 21 1HB ASP 21 6.981 -0.539 14.089 146 H MET 22 H MET 22 9.587 -2.552 15.077 147 HA MET 22 HA MET 22 7.497 -4.396 16.134 148 1HB MET 22 2HB MET 22 9.454 -5.547 14.834 149 2HB MET 22 1HB MET 22 10.407 -5.156 16.267 150 1HG MET 22 2HG MET 22 8.850 -6.373 17.690 151 2HG MET 22 1HG MET 22 7.783 -6.675 16.319 152 1HE MET 22 1HE MET 22 8.528 -9.141 14.483 153 2HE MET 22 2HE MET 22 7.457 -8.475 15.713 154 3HE MET 22 3HE MET 22 8.346 -9.960 16.041 155 H ALA 23 H ALA 23 8.215 -1.707 16.938 156 HA ALA 23 HA ALA 23 9.123 -2.318 19.712 157 1HB ALA 23 1HB ALA 23 11.000 -1.118 19.377 158 2HB ALA 23 2HB ALA 23 9.983 0.305 19.146 159 3HB ALA 23 3HB ALA 23 10.476 -0.663 17.756 160 H ALA 24 H ALA 24 6.534 -2.246 19.445 161 HA ALA 24 HA ALA 24 5.755 0.452 20.430 162 1HB ALA 24 1HB ALA 24 3.513 -0.379 19.032 163 2HB ALA 24 2HB ALA 24 4.837 -0.845 17.965 164 3HB ALA 24 3HB ALA 24 4.669 0.832 18.478 165 H LYS 25 H LYS 25 4.855 -2.965 20.022 166 HA LYS 25 HA LYS 25 3.445 -4.324 21.335 167 1HB LYS 25 2HB LYS 25 5.598 -3.676 22.752 168 2HB LYS 25 1HB LYS 25 4.410 -2.827 23.742 169 1HG LYS 25 2HG LYS 25 3.135 -4.869 24.061 170 2HG LYS 25 1HG LYS 25 4.184 -5.743 22.943 171 1HD LYS 25 2HD LYS 25 5.208 -6.355 24.907 172 2HD LYS 25 1HD LYS 25 6.059 -4.833 24.639 173 1HE LYS 25 2HE LYS 25 3.560 -5.173 26.324 174 2HE LYS 25 1HE LYS 25 5.196 -4.973 26.950 175 1HZ LYS 25 1HZ LYS 25 3.582 -3.024 25.413 176 2HZ LYS 25 2HZ LYS 25 5.258 -2.849 25.632 177 3HZ LYS 25 3HZ LYS 25 4.219 -2.851 26.976 178 H MET 26 H MET 26 1.546 -3.062 20.462 179 HA MET 26 HA MET 26 -0.501 -1.974 20.821 180 1HB MET 26 2HB MET 26 -0.649 -3.660 22.638 181 2HB MET 26 1HB MET 26 0.165 -2.536 23.727 182 1HG MET 26 2HG MET 26 -1.729 -1.353 24.079 183 2HG MET 26 1HG MET 26 -2.106 -1.307 22.357 184 1HE MET 26 1HE MET 26 -2.928 -2.581 25.732 185 2HE MET 26 2HE MET 26 -4.515 -3.246 25.354 186 3HE MET 26 3HE MET 26 -4.119 -1.599 24.870 187 H SER 27 H SER 27 -0.449 0.177 20.363 188 HA SER 27 HA SER 27 0.870 1.988 22.347 189 1HB SER 27 2HB SER 27 1.381 3.490 20.553 190 2HB SER 27 1HB SER 27 1.840 1.887 19.987 191 HG SER 27 HG SER 27 -0.087 3.596 19.078 192 H LYS 28 H LYS 28 -1.040 2.247 23.612 193 HA LYS 28 HA LYS 28 -3.573 2.988 22.405 194 1HB LYS 28 2HB LYS 28 -3.066 1.915 24.750 195 2HB LYS 28 1HB LYS 28 -2.881 3.592 25.264 196 1HG LYS 28 2HG LYS 28 -5.116 4.139 24.631 197 2HG LYS 28 1HG LYS 28 -5.306 2.630 23.737 198 1HD LYS 28 2HD LYS 28 -5.494 1.345 25.682 199 2HD LYS 28 1HD LYS 28 -4.686 2.557 26.678 200 1HE LYS 28 2HE LYS 28 -6.654 4.074 26.319 201 2HE LYS 28 1HE LYS 28 -7.469 2.746 25.491 202 1HZ LYS 28 1HZ LYS 28 -7.436 1.447 27.449 203 2HZ LYS 28 2HZ LYS 28 -8.000 2.983 27.906 204 3HZ LYS 28 3HZ LYS 28 -6.399 2.525 28.246 205 H LYS 29 H LYS 29 -4.358 5.018 21.993 206 HA LYS 29 HA LYS 29 -4.195 7.317 21.507 207 1HB LYS 29 2HB LYS 29 -3.195 7.304 24.372 208 2HB LYS 29 1HB LYS 29 -3.850 8.699 23.515 209 1HG LYS 29 2HG LYS 29 -5.432 6.145 23.810 210 2HG LYS 29 1HG LYS 29 -5.468 7.403 25.046 211 1HD LYS 29 2HD LYS 29 -6.657 8.851 23.733 212 2HD LYS 29 1HD LYS 29 -5.860 8.320 22.251 213 1HE LYS 29 2HE LYS 29 -8.244 7.658 22.271 214 2HE LYS 29 1HE LYS 29 -7.185 6.246 22.265 215 1HZ LYS 29 1HZ LYS 29 -7.473 6.741 24.893 216 2HZ LYS 29 2HZ LYS 29 -8.393 5.614 24.016 217 3HZ LYS 29 3HZ LYS 29 -9.002 7.175 24.303 218 H LYS 30 H LYS 30 -2.401 6.986 19.977 219 HA LYS 30 HA LYS 30 0.349 7.269 20.891 220 1HB LYS 30 2HB LYS 30 -0.596 6.190 18.681 221 2HB LYS 30 1HB LYS 30 -0.519 7.844 18.070 222 1HG LYS 30 2HG LYS 30 1.850 7.979 18.565 223 2HG LYS 30 1HG LYS 30 1.814 6.409 19.368 224 1HD LYS 30 2HD LYS 30 2.699 6.152 17.100 225 2HD LYS 30 1HD LYS 30 1.130 5.354 17.222 226 1HE LYS 30 2HE LYS 30 0.642 8.066 16.510 227 2HE LYS 30 1HE LYS 30 1.917 7.469 15.450 228 1HZ LYS 30 1HZ LYS 30 -0.529 7.076 14.808 229 2HZ LYS 30 2HZ LYS 30 -0.475 5.828 15.962 230 3HZ LYS 30 3HZ LYS 30 0.576 5.802 14.628 231 H ALA 31 H ALA 31 1.045 9.198 21.698 232 HA ALA 31 HA ALA 31 0.156 11.679 20.283 233 1HB ALA 31 1HB ALA 31 0.888 12.157 23.049 234 2HB ALA 31 2HB ALA 31 -0.410 10.969 22.944 235 3HB ALA 31 3HB ALA 31 -0.610 12.561 22.210 236 H GLY 32 H GLY 32 1.732 13.482 20.496 237 1HA GLY 32 2HA GLY 32 4.252 13.513 21.573 238 2HA GLY 32 1HA GLY 32 4.464 12.491 20.150 239 H ARG 33 H ARG 33 5.907 14.263 19.390 240 HA ARG 33 HA ARG 33 4.301 16.436 18.107 241 1HB ARG 33 2HB ARG 33 6.079 16.915 20.106 242 2HB ARG 33 1HB ARG 33 7.149 17.006 18.706 243 1HG ARG 33 2HG ARG 33 6.275 18.981 18.053 244 2HG ARG 33 1HG ARG 33 4.623 18.387 18.233 245 1HD ARG 33 2HD ARG 33 4.625 19.984 19.900 246 2HD ARG 33 1HD ARG 33 5.220 18.605 20.825 247 HE ARG 33 HE ARG 33 7.423 20.013 19.626 248 1HH1 ARG 33 1HH1 ARG 33 5.305 19.743 22.311 249 2HH1 ARG 33 2HH1 ARG 33 6.150 20.909 23.275 250 1HH2 ARG 33 1HH2 ARG 33 8.425 21.710 20.784 251 2HH2 ARG 33 2HH2 ARG 33 7.917 22.020 22.411 252 H GLY 34 H GLY 34 4.231 15.125 16.177 253 1HA GLY 34 2HA GLY 34 5.268 15.240 13.940 254 2HA GLY 34 1HA GLY 34 6.841 15.093 14.724 Start of MODEL 12 1 1H MET 1 1HT MET 1 7.269 5.159 -0.146 2 2H MET 1 2HT MET 1 7.231 6.831 -0.449 3 3H MET 1 3HT MET 1 6.320 6.175 0.826 4 HA MET 1 HA MET 1 8.000 6.372 2.232 5 1HB MET 1 2HB MET 1 9.017 4.484 0.269 6 2HB MET 1 1HB MET 1 10.321 5.463 0.942 7 1HG MET 1 2HG MET 1 9.966 4.695 3.106 8 2HG MET 1 1HG MET 1 8.270 4.320 2.804 9 1HE MET 1 1HE MET 1 11.678 2.280 3.371 10 2HE MET 1 2HE MET 1 11.765 3.746 2.399 11 3HE MET 1 3HE MET 1 12.044 2.180 1.643 12 H GLY 2 H GLY 2 8.929 8.306 2.682 13 1HA GLY 2 2HA GLY 2 10.805 9.870 2.174 14 2HA GLY 2 1HA GLY 2 10.374 9.709 0.471 15 H LYS 3 H LYS 3 9.308 11.044 3.568 16 HA LYS 3 HA LYS 3 8.052 12.997 3.968 17 1HB LYS 3 2HB LYS 3 9.232 13.622 1.669 18 2HB LYS 3 1HB LYS 3 7.598 13.420 1.039 19 1HG LYS 3 2HG LYS 3 7.975 15.042 3.527 20 2HG LYS 3 1HG LYS 3 8.399 15.767 1.975 21 1HD LYS 3 2HD LYS 3 6.062 14.879 1.208 22 2HD LYS 3 1HD LYS 3 5.717 14.805 2.937 23 1HE LYS 3 2HE LYS 3 5.124 16.985 2.688 24 2HE LYS 3 1HE LYS 3 6.861 17.284 2.725 25 1HZ LYS 3 1HZ LYS 3 5.023 17.253 0.450 26 2HZ LYS 3 2HZ LYS 3 6.611 16.709 0.187 27 3HZ LYS 3 3HZ LYS 3 6.335 18.281 0.769 28 H ALA 4 H ALA 4 6.819 10.467 3.947 29 HA ALA 4 HA ALA 4 4.370 10.604 2.352 30 1HB ALA 4 1HB ALA 4 4.145 8.761 4.540 31 2HB ALA 4 2HB ALA 4 5.756 8.610 3.838 32 3HB ALA 4 3HB ALA 4 4.330 8.404 2.823 33 H GLU 5 H GLU 5 2.905 12.155 2.918 34 HA GLU 5 HA GLU 5 1.751 12.088 5.600 35 1HB GLU 5 2HB GLU 5 3.683 14.182 4.803 36 2HB GLU 5 1HB GLU 5 2.182 14.781 5.513 37 1HG GLU 5 2HG GLU 5 2.560 13.012 7.352 38 2HG GLU 5 1HG GLU 5 4.207 12.903 6.730 39 H ASN 6 H ASN 6 0.508 11.494 3.247 40 HA ASN 6 HA ASN 6 -0.911 13.936 2.342 41 1HB ASN 6 2HB ASN 6 -0.165 11.505 1.095 42 2HB ASN 6 1HB ASN 6 -1.927 11.502 1.179 43 1HD2 ASN 6 1HD2 ASN 6 -2.047 11.882 -1.179 44 2HD2 ASN 6 2HD2 ASN 6 -1.710 13.416 -1.822 45 H TYR 7 H TYR 7 -3.428 13.248 1.892 46 HA TYR 7 HA TYR 7 -4.461 12.632 4.592 47 1HB TYR 7 2HB TYR 7 -6.457 13.283 2.562 48 2HB TYR 7 1HB TYR 7 -6.137 14.060 4.106 49 HD1 TYR 7 1HD TYR 7 -3.960 15.536 4.225 50 HD2 TYR 7 2HD TYR 7 -5.948 14.425 0.582 51 HE1 TYR 7 1HE TYR 7 -2.870 17.429 3.052 52 HE2 TYR 7 2HE TYR 7 -4.857 16.318 -0.591 53 HH TYR 7 HH TYR 7 -2.263 18.069 0.767 54 H GLU 8 H GLU 8 -5.104 11.662 1.218 55 HA GLU 8 HA GLU 8 -6.552 9.280 2.221 56 1HB GLU 8 2HB GLU 8 -6.123 10.273 -0.614 57 2HB GLU 8 1HB GLU 8 -7.173 8.938 -0.138 58 1HG GLU 8 2HG GLU 8 -8.494 10.496 1.267 59 2HG GLU 8 1HG GLU 8 -7.471 11.827 0.730 60 H LEU 9 H LEU 9 -3.543 9.628 2.390 61 HA LEU 9 HA LEU 9 -2.405 7.791 0.453 62 1HB LEU 9 2HB LEU 9 -1.245 9.615 1.982 63 2HB LEU 9 1HB LEU 9 -1.132 8.277 3.126 64 HG LEU 9 HG LEU 9 -0.347 7.660 0.331 65 1HD1 LEU 9 1HD1 LEU 9 0.739 9.774 0.421 66 2HD1 LEU 9 2HD1 LEU 9 1.980 8.603 0.875 67 3HD1 LEU 9 3HD1 LEU 9 1.177 9.563 2.119 68 1HD2 LEU 9 1HD2 LEU 9 -0.247 6.230 2.542 69 2HD2 LEU 9 2HD2 LEU 9 1.240 7.135 2.830 70 3HD2 LEU 9 3HD2 LEU 9 1.079 6.138 1.384 71 H TYR 10 H TYR 10 -3.282 7.490 3.913 72 HA TYR 10 HA TYR 10 -2.713 4.640 3.945 73 1HB TYR 10 2HB TYR 10 -4.518 5.934 5.941 74 2HB TYR 10 1HB TYR 10 -3.268 4.723 6.191 75 HD1 TYR 10 1HD TYR 10 -1.042 6.035 4.630 76 HD2 TYR 10 2HD TYR 10 -3.823 7.619 7.495 77 HE1 TYR 10 1HE TYR 10 0.583 7.814 5.223 78 HE2 TYR 10 2HE TYR 10 -2.200 9.399 8.088 79 HH TYR 10 HH TYR 10 0.872 9.323 7.591 80 H GLN 11 H GLN 11 -5.212 6.423 2.606 81 HA GLN 11 HA GLN 11 -7.325 4.435 3.176 82 1HB GLN 11 2HB GLN 11 -7.553 7.069 2.778 83 2HB GLN 11 1HB GLN 11 -7.648 6.559 1.090 84 1HG GLN 11 2HG GLN 11 -9.684 5.568 1.368 85 2HG GLN 11 1HG GLN 11 -9.286 4.977 2.982 86 1HE2 GLN 11 1HE2 GLN 11 -8.632 7.402 4.288 87 2HE2 GLN 11 2HE2 GLN 11 -10.009 8.393 4.345 88 H VAL 12 H VAL 12 -5.085 3.355 1.982 89 HA VAL 12 HA VAL 12 -5.923 2.870 -0.822 90 HB VAL 12 HB VAL 12 -3.766 3.928 -0.701 91 1HG1 VAL 12 1HG1 VAL 12 -3.336 3.353 1.675 92 2HG1 VAL 12 2HG1 VAL 12 -1.942 3.031 0.642 93 3HG1 VAL 12 3HG1 VAL 12 -2.961 1.700 1.185 94 1HG2 VAL 12 1HG2 VAL 12 -3.792 2.277 -2.415 95 2HG2 VAL 12 2HG2 VAL 12 -3.690 0.957 -1.252 96 3HG2 VAL 12 3HG2 VAL 12 -2.289 1.989 -1.539 97 H GLU 13 H GLU 13 -7.421 1.212 0.117 98 HA GLU 13 HA GLU 13 -7.936 -0.990 0.772 99 1HB GLU 13 2HB GLU 13 -5.868 -1.043 -1.223 100 2HB GLU 13 1HB GLU 13 -5.590 -2.357 -0.078 101 1HG GLU 13 2HG GLU 13 -8.204 -2.708 -0.353 102 2HG GLU 13 1HG GLU 13 -7.927 -1.886 -1.890 103 H LEU 14 H LEU 14 -7.518 -0.196 3.053 104 HA LEU 14 HA LEU 14 -5.115 -0.431 4.452 105 1HB LEU 14 2HB LEU 14 -7.995 -0.729 5.181 106 2HB LEU 14 1HB LEU 14 -6.800 -1.282 6.351 107 HG LEU 14 HG LEU 14 -7.497 1.142 6.607 108 1HD1 LEU 14 1HD1 LEU 14 -5.070 1.948 6.730 109 2HD1 LEU 14 2HD1 LEU 14 -4.620 0.373 6.078 110 3HD1 LEU 14 3HD1 LEU 14 -5.445 0.481 7.634 111 1HD2 LEU 14 1HD2 LEU 14 -5.748 1.626 4.197 112 2HD2 LEU 14 2HD2 LEU 14 -6.858 2.742 4.992 113 3HD2 LEU 14 3HD2 LEU 14 -7.490 1.411 4.024 114 H GLY 15 H GLY 15 -3.955 -2.149 5.331 115 1HA GLY 15 2HA GLY 15 -4.124 -4.554 6.143 116 2HA GLY 15 1HA GLY 15 -4.946 -4.881 4.619 117 HA PRO 16 HA PRO 16 -0.972 -5.755 2.941 118 1HB PRO 16 2HB PRO 16 -1.700 -5.736 0.289 119 2HB PRO 16 1HB PRO 16 -2.077 -7.065 1.398 120 1HG PRO 16 2HG PRO 16 -3.889 -4.969 0.300 121 2HG PRO 16 1HG PRO 16 -4.276 -6.601 0.872 122 1HD PRO 16 2HD PRO 16 -4.687 -4.191 2.308 123 2HD PRO 16 1HD PRO 16 -4.779 -5.836 2.973 124 H GLY 17 H GLY 17 -0.328 -3.458 3.676 125 1HA GLY 17 2HA GLY 17 -0.302 -1.472 1.472 126 2HA GLY 17 1HA GLY 17 0.173 -1.161 3.142 127 HA PRO 18 HA PRO 18 4.081 -1.692 0.807 128 1HB PRO 18 2HB PRO 18 5.277 0.528 1.899 129 2HB PRO 18 1HB PRO 18 4.269 0.578 0.442 130 1HG PRO 18 2HG PRO 18 3.616 1.484 3.207 131 2HG PRO 18 1HG PRO 18 2.964 2.047 1.658 132 1HD PRO 18 2HD PRO 18 1.679 0.275 3.458 133 2HD PRO 18 1HD PRO 18 1.196 0.591 1.777 134 H SER 19 H SER 19 3.217 -1.350 4.155 135 HA SER 19 HA SER 19 5.880 -2.365 5.021 136 1HB SER 19 2HB SER 19 5.033 -1.835 7.322 137 2HB SER 19 1HB SER 19 5.098 -0.428 6.263 138 HG SER 19 HG SER 19 3.044 -0.237 6.610 139 H GLY 20 H GLY 20 5.365 -4.522 4.116 140 1HA GLY 20 2HA GLY 20 4.052 -6.199 6.137 141 2HA GLY 20 1HA GLY 20 3.267 -6.203 4.557 142 H ASP 21 H ASP 21 4.980 -6.495 2.684 143 HA ASP 21 HA ASP 21 6.164 -9.081 3.024 144 1HB ASP 21 2HB ASP 21 7.224 -8.619 0.801 145 2HB ASP 21 1HB ASP 21 5.487 -8.310 0.814 146 H MET 22 H MET 22 7.713 -9.156 4.657 147 HA MET 22 HA MET 22 9.687 -7.144 5.132 148 1HB MET 22 2HB MET 22 8.929 -9.539 6.340 149 2HB MET 22 1HB MET 22 10.577 -9.849 5.789 150 1HG MET 22 2HG MET 22 10.755 -8.900 7.988 151 2HG MET 22 1HG MET 22 11.232 -7.637 6.852 152 1HE MET 22 1HE MET 22 9.218 -4.784 7.686 153 2HE MET 22 2HE MET 22 9.723 -5.559 6.186 154 3HE MET 22 3HE MET 22 10.819 -5.528 7.564 155 H ALA 23 H ALA 23 12.067 -7.436 4.752 156 HA ALA 23 HA ALA 23 13.150 -9.273 2.883 157 1HB ALA 23 1HB ALA 23 11.646 -7.044 1.708 158 2HB ALA 23 2HB ALA 23 12.230 -8.526 0.950 159 3HB ALA 23 3HB ALA 23 13.307 -7.139 1.123 160 H ALA 24 H ALA 24 14.981 -9.124 4.196 161 HA ALA 24 HA ALA 24 16.172 -6.529 4.832 162 1HB ALA 24 1HB ALA 24 16.892 -7.849 6.522 163 2HB ALA 24 2HB ALA 24 18.087 -8.463 5.379 164 3HB ALA 24 3HB ALA 24 16.565 -9.324 5.610 165 H LYS 25 H LYS 25 16.579 -5.692 2.686 166 HA LYS 25 HA LYS 25 17.879 -5.353 0.763 167 1HB LYS 25 2HB LYS 25 19.949 -6.917 2.334 168 2HB LYS 25 1HB LYS 25 20.258 -5.790 1.014 169 1HG LYS 25 2HG LYS 25 18.932 -4.099 2.541 170 2HG LYS 25 1HG LYS 25 19.390 -5.214 3.828 171 1HD LYS 25 2HD LYS 25 21.181 -3.693 3.793 172 2HD LYS 25 1HD LYS 25 21.784 -5.035 2.819 173 1HE LYS 25 2HE LYS 25 20.771 -3.741 0.807 174 2HE LYS 25 1HE LYS 25 20.757 -2.356 1.899 175 1HZ LYS 25 1HZ LYS 25 22.865 -3.122 0.409 176 2HZ LYS 25 2HZ LYS 25 23.228 -3.838 1.906 177 3HZ LYS 25 3HZ LYS 25 22.964 -2.163 1.804 178 H MET 26 H MET 26 16.366 -6.934 -0.305 179 HA MET 26 HA MET 26 17.709 -9.534 -0.904 180 1HB MET 26 2HB MET 26 14.811 -8.680 -1.176 181 2HB MET 26 1HB MET 26 15.440 -10.233 -1.726 182 1HG MET 26 2HG MET 26 16.331 -10.518 0.678 183 2HG MET 26 1HG MET 26 15.251 -9.188 1.099 184 1HE MET 26 1HE MET 26 15.396 -12.902 -0.436 185 2HE MET 26 2HE MET 26 14.363 -13.487 0.867 186 3HE MET 26 3HE MET 26 15.806 -12.550 1.248 187 H SER 27 H SER 27 16.520 -10.160 -3.299 188 HA SER 27 HA SER 27 16.909 -9.825 -5.594 189 1HB SER 27 2HB SER 27 15.691 -7.306 -4.548 190 2HB SER 27 1HB SER 27 16.338 -7.281 -6.188 191 HG SER 27 HG SER 27 14.566 -9.265 -5.194 192 H LYS 28 H LYS 28 19.286 -10.106 -5.070 193 HA LYS 28 HA LYS 28 20.794 -7.544 -5.366 194 1HB LYS 28 2HB LYS 28 21.268 -9.148 -3.407 195 2HB LYS 28 1HB LYS 28 21.980 -10.219 -4.614 196 1HG LYS 28 2HG LYS 28 23.777 -8.842 -4.980 197 2HG LYS 28 1HG LYS 28 22.839 -7.374 -4.702 198 1HD LYS 28 2HD LYS 28 24.079 -7.363 -2.762 199 2HD LYS 28 1HD LYS 28 22.740 -8.375 -2.219 200 1HE LYS 28 2HE LYS 28 24.133 -10.365 -3.096 201 2HE LYS 28 1HE LYS 28 25.488 -9.235 -3.129 202 1HZ LYS 28 1HZ LYS 28 24.739 -10.661 -0.980 203 2HZ LYS 28 2HZ LYS 28 23.947 -9.186 -0.689 204 3HZ LYS 28 3HZ LYS 28 25.631 -9.219 -0.912 205 H LYS 29 H LYS 29 20.360 -7.514 -7.691 206 HA LYS 29 HA LYS 29 21.000 -9.641 -9.465 207 1HB LYS 29 2HB LYS 29 20.970 -6.639 -9.837 208 2HB LYS 29 1HB LYS 29 21.282 -7.758 -11.165 209 1HG LYS 29 2HG LYS 29 19.048 -7.922 -11.423 210 2HG LYS 29 1HG LYS 29 19.015 -8.796 -9.891 211 1HD LYS 29 2HD LYS 29 17.469 -6.946 -9.713 212 2HD LYS 29 1HD LYS 29 18.874 -6.569 -8.715 213 1HE LYS 29 2HE LYS 29 19.741 -5.460 -10.975 214 2HE LYS 29 1HE LYS 29 18.013 -5.361 -11.313 215 1HZ LYS 29 1HZ LYS 29 18.530 -3.392 -10.200 216 2HZ LYS 29 2HZ LYS 29 19.511 -4.176 -9.055 217 3HZ LYS 29 3HZ LYS 29 17.822 -4.368 -9.007 218 H LYS 30 H LYS 30 22.938 -6.778 -9.964 219 HA LYS 30 HA LYS 30 25.396 -8.089 -9.007 220 1HB LYS 30 2HB LYS 30 24.875 -8.946 -11.374 221 2HB LYS 30 1HB LYS 30 25.212 -7.301 -11.920 222 1HG LYS 30 2HG LYS 30 27.275 -8.500 -12.120 223 2HG LYS 30 1HG LYS 30 27.436 -7.482 -10.688 224 1HD LYS 30 2HD LYS 30 27.816 -9.304 -9.429 225 2HD LYS 30 1HD LYS 30 26.237 -9.947 -9.882 226 1HE LYS 30 2HE LYS 30 27.137 -11.408 -11.361 227 2HE LYS 30 1HE LYS 30 28.240 -10.196 -12.013 228 1HZ LYS 30 1HZ LYS 30 28.837 -11.070 -9.323 229 2HZ LYS 30 2HZ LYS 30 29.876 -10.826 -10.644 230 3HZ LYS 30 3HZ LYS 30 28.999 -12.275 -10.507 231 H ALA 31 H ALA 31 24.510 -5.499 -11.327 232 HA ALA 31 HA ALA 31 25.863 -3.567 -9.495 233 1HB ALA 31 1HB ALA 31 27.398 -2.999 -11.047 234 2HB ALA 31 2HB ALA 31 26.164 -2.849 -12.297 235 3HB ALA 31 3HB ALA 31 26.891 -4.420 -11.960 236 H GLY 32 H GLY 32 24.286 -3.289 -12.690 237 1HA GLY 32 2HA GLY 32 22.130 -2.339 -13.139 238 2HA GLY 32 1HA GLY 32 22.021 -1.849 -11.448 239 H ARG 33 H ARG 33 24.501 -1.236 -13.953 240 HA ARG 33 HA ARG 33 24.331 1.653 -13.233 241 1HB ARG 33 2HB ARG 33 26.510 -0.146 -13.868 242 2HB ARG 33 1HB ARG 33 26.509 1.230 -14.973 243 1HG ARG 33 2HG ARG 33 27.060 2.705 -13.333 244 2HG ARG 33 1HG ARG 33 25.996 1.934 -12.155 245 1HD ARG 33 2HD ARG 33 27.784 0.001 -12.246 246 2HD ARG 33 1HD ARG 33 28.841 1.277 -12.849 247 HE ARG 33 HE ARG 33 28.566 2.439 -10.726 248 1HH1 ARG 33 1HH2 ARG 33 28.403 -0.872 -10.616 249 2HH1 ARG 33 2HH2 ARG 33 27.621 -0.979 -9.073 250 1HH2 ARG 33 1HH1 ARG 33 26.956 2.418 -8.881 251 2HH2 ARG 33 2HH1 ARG 33 26.801 0.885 -8.093 252 H GLY 34 H GLY 34 22.481 2.133 -14.549 253 1HA GLY 34 2HA GLY 34 23.161 2.550 -17.383 254 2HA GLY 34 1HA GLY 34 21.789 1.481 -17.088 Start of MODEL 13 1 1H MET 1 1HT MET 1 -0.080 15.319 -7.043 2 2H MET 1 2HT MET 1 -0.752 15.406 -8.599 3 3H MET 1 3HT MET 1 -1.070 14.065 -7.608 4 HA MET 1 HA MET 1 -2.905 15.768 -7.795 5 1HB MET 1 2HB MET 1 -3.363 15.637 -5.329 6 2HB MET 1 1HB MET 1 -2.923 14.083 -6.041 7 1HG MET 1 2HG MET 1 -0.688 14.226 -5.191 8 2HG MET 1 1HG MET 1 -0.900 15.915 -4.734 9 1HE MET 1 1HE MET 1 -1.673 12.073 -3.364 10 2HE MET 1 2HE MET 1 -0.717 12.767 -2.058 11 3HE MET 1 3HE MET 1 -0.188 12.965 -3.726 12 H GLY 2 H GLY 2 -3.519 17.566 -5.905 13 1HA GLY 2 2HA GLY 2 -1.330 19.602 -6.035 14 2HA GLY 2 1HA GLY 2 -3.015 20.025 -6.341 15 H LYS 3 H LYS 3 -2.146 21.525 -4.423 16 HA LYS 3 HA LYS 3 -1.854 20.551 -1.799 17 1HB LYS 3 2HB LYS 3 -2.660 22.771 -1.062 18 2HB LYS 3 1HB LYS 3 -1.519 22.918 -2.398 19 1HG LYS 3 2HG LYS 3 -4.204 22.593 -3.421 20 2HG LYS 3 1HG LYS 3 -4.145 23.943 -2.287 21 1HD LYS 3 2HD LYS 3 -2.509 25.086 -3.538 22 2HD LYS 3 1HD LYS 3 -2.038 23.633 -4.419 23 1HE LYS 3 2HE LYS 3 -4.750 24.961 -4.666 24 2HE LYS 3 1HE LYS 3 -3.415 25.224 -5.787 25 1HZ LYS 3 1HZ LYS 3 -4.908 22.725 -5.267 26 2HZ LYS 3 2HZ LYS 3 -3.385 22.716 -6.021 27 3HZ LYS 3 3HZ LYS 3 -4.688 23.535 -6.742 28 H ALA 4 H ALA 4 -3.309 19.899 -0.211 29 HA ALA 4 HA ALA 4 -6.167 20.274 -0.434 30 1HB ALA 4 1HB ALA 4 -5.056 17.518 -1.049 31 2HB ALA 4 2HB ALA 4 -5.945 18.554 -2.165 32 3HB ALA 4 3HB ALA 4 -6.757 17.877 -0.754 33 H GLU 5 H GLU 5 -7.295 19.201 1.404 34 HA GLU 5 HA GLU 5 -5.449 18.941 3.707 35 1HB GLU 5 2HB GLU 5 -8.455 19.251 3.500 36 2HB GLU 5 1HB GLU 5 -7.613 18.991 5.029 37 1HG GLU 5 2HG GLU 5 -6.516 21.141 3.304 38 2HG GLU 5 1HG GLU 5 -8.103 21.455 4.008 39 H ASN 6 H ASN 6 -7.442 17.006 1.643 40 HA ASN 6 HA ASN 6 -7.799 14.789 3.480 41 1HB ASN 6 2HB ASN 6 -9.226 15.202 1.447 42 2HB ASN 6 1HB ASN 6 -7.849 14.740 0.448 43 1HD2 ASN 6 1HD2 ASN 6 -10.510 13.511 2.278 44 2HD2 ASN 6 2HD2 ASN 6 -10.107 11.866 2.169 45 H TYR 7 H TYR 7 -6.340 13.190 3.953 46 HA TYR 7 HA TYR 7 -3.648 13.369 2.840 47 1HB TYR 7 2HB TYR 7 -4.313 10.926 4.351 48 2HB TYR 7 1HB TYR 7 -3.014 12.086 4.606 49 HD1 TYR 7 1HD TYR 7 -3.425 14.178 5.889 50 HD2 TYR 7 2HD TYR 7 -6.416 11.120 5.499 51 HE1 TYR 7 1HE TYR 7 -4.689 15.172 7.776 52 HE2 TYR 7 2HE TYR 7 -7.680 12.114 7.385 53 HH TYR 7 HH TYR 7 -7.553 14.936 8.400 54 H GLU 8 H GLU 8 -6.307 11.021 2.706 55 HA GLU 8 HA GLU 8 -6.615 9.170 1.272 56 1HB GLU 8 2HB GLU 8 -6.028 11.571 -0.285 57 2HB GLU 8 1HB GLU 8 -5.598 10.095 -1.151 58 1HG GLU 8 2HG GLU 8 -8.264 10.423 0.234 59 2HG GLU 8 1HG GLU 8 -8.009 10.914 -1.441 60 H LEU 9 H LEU 9 -4.105 9.156 2.727 61 HA LEU 9 HA LEU 9 -2.224 8.030 0.710 62 1HB LEU 9 2HB LEU 9 -1.674 9.815 2.642 63 2HB LEU 9 1HB LEU 9 -1.434 8.333 3.568 64 HG LEU 9 HG LEU 9 0.692 8.843 2.605 65 1HD1 LEU 9 1HD1 LEU 9 -0.165 6.464 2.360 66 2HD1 LEU 9 2HD1 LEU 9 1.112 6.916 1.233 67 3HD1 LEU 9 3HD1 LEU 9 -0.565 6.863 0.690 68 1HD2 LEU 9 1HD2 LEU 9 -0.920 9.989 0.540 69 2HD2 LEU 9 2HD2 LEU 9 0.160 8.811 -0.206 70 3HD2 LEU 9 3HD2 LEU 9 0.824 10.129 0.759 71 H TYR 10 H TYR 10 -3.309 7.285 4.051 72 HA TYR 10 HA TYR 10 -2.630 4.458 3.644 73 1HB TYR 10 2HB TYR 10 -4.220 5.174 6.014 74 2HB TYR 10 1HB TYR 10 -2.713 4.278 5.904 75 HD1 TYR 10 1HD TYR 10 -0.862 6.090 4.622 76 HD2 TYR 10 2HD TYR 10 -3.916 6.944 7.519 77 HE1 TYR 10 1HE TYR 10 0.393 8.100 5.354 78 HE2 TYR 10 2HE TYR 10 -2.661 8.953 8.251 79 HH TYR 10 HH TYR 10 -0.832 10.548 6.949 80 H GLN 11 H GLN 11 -5.218 6.362 2.791 81 HA GLN 11 HA GLN 11 -7.293 4.321 3.336 82 1HB GLN 11 2HB GLN 11 -7.245 7.161 2.589 83 2HB GLN 11 1HB GLN 11 -8.421 6.226 1.665 84 1HG GLN 11 2HG GLN 11 -9.698 5.745 3.513 85 2HG GLN 11 1HG GLN 11 -8.307 5.710 4.595 86 1HE2 GLN 11 1HE2 GLN 11 -8.837 8.429 2.394 87 2HE2 GLN 11 2HE2 GLN 11 -9.240 9.556 3.597 88 H VAL 12 H VAL 12 -5.176 3.439 1.761 89 HA VAL 12 HA VAL 12 -6.312 3.341 -0.980 90 HB VAL 12 HB VAL 12 -4.117 4.320 -0.937 91 1HG1 VAL 12 1HG1 VAL 12 -3.459 3.462 1.272 92 2HG1 VAL 12 2HG1 VAL 12 -2.206 3.144 0.072 93 3HG1 VAL 12 3HG1 VAL 12 -3.279 1.844 0.594 94 1HG2 VAL 12 1HG2 VAL 12 -3.503 1.486 -1.713 95 2HG2 VAL 12 2HG2 VAL 12 -3.112 2.981 -2.562 96 3HG2 VAL 12 3HG2 VAL 12 -4.761 2.358 -2.589 97 H GLU 13 H GLU 13 -7.744 1.605 0.144 98 HA GLU 13 HA GLU 13 -8.248 -0.665 0.488 99 1HB GLU 13 2HB GLU 13 -6.050 -0.732 -1.578 100 2HB GLU 13 1HB GLU 13 -6.775 -2.222 -0.975 101 1HG GLU 13 2HG GLU 13 -8.999 -1.446 -1.653 102 2HG GLU 13 1HG GLU 13 -8.316 0.086 -2.199 103 H LEU 14 H LEU 14 -7.092 0.070 2.696 104 HA LEU 14 HA LEU 14 -4.499 -1.022 3.273 105 1HB LEU 14 2HB LEU 14 -6.801 0.009 4.876 106 2HB LEU 14 1HB LEU 14 -5.586 -0.959 5.709 107 HG LEU 14 HG LEU 14 -4.817 1.348 3.923 108 1HD1 LEU 14 1HD1 LEU 14 -5.376 1.396 6.905 109 2HD1 LEU 14 2HD1 LEU 14 -6.323 2.217 5.665 110 3HD1 LEU 14 3HD1 LEU 14 -4.662 2.718 5.982 111 1HD2 LEU 14 1HD2 LEU 14 -3.479 -0.245 6.122 112 2HD2 LEU 14 2HD2 LEU 14 -2.817 1.269 5.506 113 3HD2 LEU 14 3HD2 LEU 14 -2.990 -0.119 4.432 114 H GLY 15 H GLY 15 -4.366 -2.785 5.126 115 1HA GLY 15 2HA GLY 15 -5.264 -5.256 4.039 116 2HA GLY 15 1HA GLY 15 -4.657 -5.048 5.682 117 HA PRO 16 HA PRO 16 -9.394 -5.510 5.521 118 1HB PRO 16 2HB PRO 16 -9.664 -8.247 5.499 119 2HB PRO 16 1HB PRO 16 -9.675 -7.250 4.035 120 1HG PRO 16 2HG PRO 16 -7.515 -9.021 5.083 121 2HG PRO 16 1HG PRO 16 -7.858 -8.535 3.415 122 1HD PRO 16 2HD PRO 16 -5.830 -7.457 5.064 123 2HD PRO 16 1HD PRO 16 -6.416 -6.756 3.539 124 H GLY 17 H GLY 17 -8.677 -4.740 7.731 125 1HA GLY 17 2HA GLY 17 -7.973 -6.709 9.751 126 2HA GLY 17 1HA GLY 17 -8.398 -5.023 10.056 127 HA PRO 18 HA PRO 18 -11.973 -7.892 11.109 128 1HB PRO 18 2HB PRO 18 -11.661 -7.916 13.841 129 2HB PRO 18 1HB PRO 18 -10.954 -9.134 12.764 130 1HG PRO 18 2HG PRO 18 -9.614 -6.878 14.184 131 2HG PRO 18 1HG PRO 18 -8.940 -8.427 13.650 132 1HD PRO 18 2HD PRO 18 -8.608 -5.937 12.346 133 2HD PRO 18 1HD PRO 18 -8.233 -7.533 11.659 134 H SER 19 H SER 19 -10.965 -5.537 13.617 135 HA SER 19 HA SER 19 -13.274 -3.823 12.873 136 1HB SER 19 2HB SER 19 -12.743 -4.659 15.734 137 2HB SER 19 1HB SER 19 -14.108 -3.722 15.130 138 HG SER 19 HG SER 19 -14.470 -6.039 15.487 139 H GLY 20 H GLY 20 -12.846 -1.643 13.183 140 1HA GLY 20 2HA GLY 20 -11.642 0.087 14.550 141 2HA GLY 20 1HA GLY 20 -10.240 -0.983 14.499 142 H ASP 21 H ASP 21 -8.907 0.557 13.437 143 HA ASP 21 HA ASP 21 -7.971 1.609 11.561 144 1HB ASP 21 2HB ASP 21 -8.978 -0.798 10.666 145 2HB ASP 21 1HB ASP 21 -9.765 0.361 9.593 146 H MET 22 H MET 22 -10.341 2.739 12.909 147 HA MET 22 HA MET 22 -10.856 4.969 11.286 148 1HB MET 22 2HB MET 22 -12.480 2.610 10.603 149 2HB MET 22 1HB MET 22 -13.432 4.060 10.926 150 1HG MET 22 2HG MET 22 -12.775 5.022 8.993 151 2HG MET 22 1HG MET 22 -11.080 4.654 9.310 152 1HE MET 22 1HE MET 22 -14.468 3.323 8.428 153 2HE MET 22 2HE MET 22 -13.934 1.837 9.210 154 3HE MET 22 3HE MET 22 -14.211 1.858 7.470 155 H ALA 23 H ALA 23 -12.556 6.360 12.230 156 HA ALA 23 HA ALA 23 -13.595 7.281 14.123 157 1HB ALA 23 1HB ALA 23 -14.386 4.368 14.366 158 2HB ALA 23 2HB ALA 23 -15.339 5.680 13.674 159 3HB ALA 23 3HB ALA 23 -15.032 5.633 15.410 160 H ALA 24 H ALA 24 -11.471 7.760 15.067 161 HA ALA 24 HA ALA 24 -10.297 5.836 16.935 162 1HB ALA 24 1HB ALA 24 -9.057 7.644 15.560 163 2HB ALA 24 2HB ALA 24 -8.576 7.428 17.244 164 3HB ALA 24 3HB ALA 24 -9.624 8.773 16.791 165 H LYS 25 H LYS 25 -9.593 7.657 19.028 166 HA LYS 25 HA LYS 25 -12.128 7.609 20.531 167 1HB LYS 25 2HB LYS 25 -9.284 7.553 21.164 168 2HB LYS 25 1HB LYS 25 -10.146 8.731 22.157 169 1HG LYS 25 2HG LYS 25 -11.601 6.201 21.844 170 2HG LYS 25 1HG LYS 25 -10.043 6.012 22.647 171 1HD LYS 25 2HD LYS 25 -10.689 7.213 24.482 172 2HD LYS 25 1HD LYS 25 -11.678 8.324 23.532 173 1HE LYS 25 2HE LYS 25 -12.791 5.662 23.399 174 2HE LYS 25 1HE LYS 25 -12.579 6.141 25.084 175 1HZ LYS 25 1HZ LYS 25 -13.564 8.349 23.707 176 2HZ LYS 25 2HZ LYS 25 -14.357 7.416 24.886 177 3HZ LYS 25 3HZ LYS 25 -14.512 7.021 23.241 178 H MET 26 H MET 26 -12.624 9.420 18.712 179 HA MET 26 HA MET 26 -13.030 11.860 20.125 180 1HB MET 26 2HB MET 26 -11.487 13.306 18.716 181 2HB MET 26 1HB MET 26 -10.673 12.293 19.910 182 1HG MET 26 2HG MET 26 -9.463 11.365 18.259 183 2HG MET 26 1HG MET 26 -10.950 10.729 17.557 184 1HE MET 26 1HE MET 26 -9.825 10.974 14.972 185 2HE MET 26 2HE MET 26 -10.965 12.131 14.290 186 3HE MET 26 3HE MET 26 -11.514 10.974 15.500 187 H SER 27 H SER 27 -13.277 13.703 18.130 188 HA SER 27 HA SER 27 -14.588 14.291 16.275 189 1HB SER 27 2HB SER 27 -13.677 13.111 14.570 190 2HB SER 27 1HB SER 27 -13.393 11.711 15.599 191 HG SER 27 HG SER 27 -15.000 10.863 14.550 192 H LYS 28 H LYS 28 -16.765 14.583 16.316 193 HA LYS 28 HA LYS 28 -19.044 14.154 16.673 194 1HB LYS 28 2HB LYS 28 -18.141 11.901 15.446 195 2HB LYS 28 1HB LYS 28 -18.681 11.229 16.986 196 1HG LYS 28 2HG LYS 28 -20.897 12.028 16.681 197 2HG LYS 28 1HG LYS 28 -20.412 13.107 15.374 198 1HD LYS 28 2HD LYS 28 -20.703 11.482 13.843 199 2HD LYS 28 1HD LYS 28 -19.664 10.383 14.751 200 1HE LYS 28 2HE LYS 28 -21.547 9.183 15.127 201 2HE LYS 28 1HE LYS 28 -21.959 10.446 16.286 202 1HZ LYS 28 1HZ LYS 28 -23.729 10.827 15.023 203 2HZ LYS 28 2HZ LYS 28 -23.150 9.843 13.764 204 3HZ LYS 28 3HZ LYS 28 -22.679 11.473 13.858 205 H LYS 29 H LYS 29 -17.925 15.035 18.865 206 HA LYS 29 HA LYS 29 -17.834 13.211 21.095 207 1HB LYS 29 2HB LYS 29 -17.522 16.066 20.648 208 2HB LYS 29 1HB LYS 29 -18.457 15.754 22.109 209 1HG LYS 29 2HG LYS 29 -16.304 13.885 22.048 210 2HG LYS 29 1HG LYS 29 -15.633 15.485 21.729 211 1HD LYS 29 2HD LYS 29 -17.631 15.148 23.944 212 2HD LYS 29 1HD LYS 29 -15.953 14.677 24.215 213 1HE LYS 29 2HE LYS 29 -15.215 16.932 23.503 214 2HE LYS 29 1HE LYS 29 -16.900 17.402 23.277 215 1HZ LYS 29 1HZ LYS 29 -17.051 16.506 25.736 216 2HZ LYS 29 2HZ LYS 29 -16.595 18.108 25.395 217 3HZ LYS 29 3HZ LYS 29 -15.411 16.941 25.749 218 H LYS 30 H LYS 30 -19.415 13.012 22.811 219 HA LYS 30 HA LYS 30 -22.195 13.658 21.908 220 1HB LYS 30 2HB LYS 30 -21.653 11.459 23.868 221 2HB LYS 30 1HB LYS 30 -22.942 11.600 22.673 222 1HG LYS 30 2HG LYS 30 -20.760 11.534 21.045 223 2HG LYS 30 1HG LYS 30 -20.203 10.518 22.376 224 1HD LYS 30 2HD LYS 30 -22.974 10.025 21.423 225 2HD LYS 30 1HD LYS 30 -21.676 9.558 20.323 226 1HE LYS 30 2HE LYS 30 -22.353 7.728 21.904 227 2HE LYS 30 1HE LYS 30 -20.651 8.173 22.032 228 1HZ LYS 30 1HZ LYS 30 -22.242 8.000 24.129 229 2HZ LYS 30 2HZ LYS 30 -22.518 9.627 23.728 230 3HZ LYS 30 3HZ LYS 30 -20.942 9.086 24.059 231 H ALA 31 H ALA 31 -23.704 14.235 23.610 232 HA ALA 31 HA ALA 31 -22.485 15.867 25.687 233 1HB ALA 31 1HB ALA 31 -25.249 15.519 26.226 234 2HB ALA 31 2HB ALA 31 -25.081 15.577 24.471 235 3HB ALA 31 3HB ALA 31 -24.471 16.905 25.458 236 H GLY 32 H GLY 32 -21.607 14.871 27.446 237 1HA GLY 32 2HA GLY 32 -23.063 12.518 28.582 238 2HA GLY 32 1HA GLY 32 -21.327 12.785 28.760 239 H ARG 33 H ARG 33 -21.501 12.733 31.076 240 HA ARG 33 HA ARG 33 -22.493 15.302 32.201 241 1HB ARG 33 2HB ARG 33 -23.442 12.562 32.862 242 2HB ARG 33 1HB ARG 33 -23.140 13.634 34.231 243 1HG ARG 33 2HG ARG 33 -24.566 14.948 32.029 244 2HG ARG 33 1HG ARG 33 -25.457 13.595 32.727 245 1HD ARG 33 2HD ARG 33 -25.710 14.629 34.757 246 2HD ARG 33 1HD ARG 33 -24.149 15.443 34.653 247 HE ARG 33 HE ARG 33 -26.637 16.381 33.289 248 1HH1 ARG 33 1HH1 ARG 33 -24.293 17.414 31.891 249 2HH1 ARG 33 2HH1 ARG 33 -23.903 18.858 32.763 250 1HH2 ARG 33 1HH2 ARG 33 -25.774 17.998 35.552 251 2HH2 ARG 33 2HH2 ARG 33 -24.740 19.188 34.836 252 H GLY 34 H GLY 34 -21.165 12.283 33.585 253 1HA GLY 34 2HA GLY 34 -19.334 13.741 35.282 254 2HA GLY 34 1HA GLY 34 -19.334 11.994 35.033 Start of MODEL 14 1 1H MET 1 1HT MET 1 3.166 22.034 3.355 2 2H MET 1 2HT MET 1 1.863 22.640 4.260 3 3H MET 1 3HT MET 1 2.619 23.617 3.094 4 HA MET 1 HA MET 1 0.797 21.333 2.704 5 1HB MET 1 2HB MET 1 0.836 24.224 2.222 6 2HB MET 1 1HB MET 1 0.354 23.299 0.800 7 1HG MET 1 2HG MET 1 -0.918 22.184 3.128 8 2HG MET 1 1HG MET 1 -1.228 23.919 3.070 9 1HE MET 1 1HE MET 1 -3.677 21.394 2.378 10 2HE MET 1 2HE MET 1 -4.477 22.837 1.760 11 3HE MET 1 3HE MET 1 -3.444 22.954 3.183 12 H GLY 2 H GLY 2 3.739 22.764 1.552 13 1HA GLY 2 2HA GLY 2 3.567 21.094 -0.923 14 2HA GLY 2 1HA GLY 2 4.551 22.550 -0.786 15 H LYS 3 H LYS 3 4.206 19.769 1.427 16 HA LYS 3 HA LYS 3 7.152 19.335 1.123 17 1HB LYS 3 2HB LYS 3 5.662 18.638 3.643 18 2HB LYS 3 1HB LYS 3 7.376 18.999 3.430 19 1HG LYS 3 2HG LYS 3 6.321 21.346 2.603 20 2HG LYS 3 1HG LYS 3 5.078 20.855 3.753 21 1HD LYS 3 2HD LYS 3 7.248 20.297 5.236 22 2HD LYS 3 1HD LYS 3 7.926 21.584 4.236 23 1HE LYS 3 2HE LYS 3 5.258 22.270 5.166 24 2HE LYS 3 1HE LYS 3 6.334 21.916 6.517 25 1HZ LYS 3 1HZ LYS 3 7.967 23.439 5.483 26 2HZ LYS 3 2HZ LYS 3 6.534 24.212 5.972 27 3HZ LYS 3 3HZ LYS 3 6.800 23.866 4.330 28 H ALA 4 H ALA 4 5.347 18.004 -0.534 29 HA ALA 4 HA ALA 4 4.546 15.864 -1.117 30 1HB ALA 4 1HB ALA 4 6.408 14.179 0.114 31 2HB ALA 4 2HB ALA 4 7.281 15.694 -0.127 32 3HB ALA 4 3HB ALA 4 6.539 14.875 -1.501 33 H GLU 5 H GLU 5 2.625 15.882 0.198 34 HA GLU 5 HA GLU 5 2.652 13.826 2.288 35 1HB GLU 5 2HB GLU 5 3.190 16.252 3.257 36 2HB GLU 5 1HB GLU 5 1.437 16.419 3.150 37 1HG GLU 5 2HG GLU 5 1.534 13.993 4.285 38 2HG GLU 5 1HG GLU 5 3.066 14.625 4.886 39 H ASN 6 H ASN 6 0.575 12.934 2.580 40 HA ASN 6 HA ASN 6 -1.707 14.272 1.238 41 1HB ASN 6 2HB ASN 6 -0.675 12.749 -0.445 42 2HB ASN 6 1HB ASN 6 -0.904 11.403 0.670 43 1HD2 ASN 6 1HD2 ASN 6 -3.065 14.147 -0.257 44 2HD2 ASN 6 2HD2 ASN 6 -4.370 13.155 -0.701 45 H TYR 7 H TYR 7 -3.779 13.435 1.987 46 HA TYR 7 HA TYR 7 -3.537 12.168 4.661 47 1HB TYR 7 2HB TYR 7 -6.227 12.965 4.093 48 2HB TYR 7 1HB TYR 7 -5.122 13.624 5.291 49 HD1 TYR 7 1HD TYR 7 -3.556 15.478 4.666 50 HD2 TYR 7 2HD TYR 7 -6.674 14.113 2.047 51 HE1 TYR 7 1HE TYR 7 -3.351 17.560 3.338 52 HE2 TYR 7 2HE TYR 7 -6.471 16.194 0.720 53 HH TYR 7 HH TYR 7 -5.630 18.631 1.238 54 H GLU 8 H GLU 8 -4.960 11.712 1.482 55 HA GLU 8 HA GLU 8 -6.517 9.380 2.361 56 1HB GLU 8 2HB GLU 8 -6.381 11.079 0.001 57 2HB GLU 8 1HB GLU 8 -6.410 9.369 -0.434 58 1HG GLU 8 2HG GLU 8 -8.284 9.668 1.660 59 2HG GLU 8 1HG GLU 8 -8.565 11.016 0.557 60 H LEU 9 H LEU 9 -3.330 9.731 2.092 61 HA LEU 9 HA LEU 9 -2.553 7.628 0.287 62 1HB LEU 9 2HB LEU 9 -1.147 9.522 1.527 63 2HB LEU 9 1HB LEU 9 -0.913 8.238 2.713 64 HG LEU 9 HG LEU 9 -0.535 7.537 -0.164 65 1HD1 LEU 9 1HD1 LEU 9 0.650 9.698 0.066 66 2HD1 LEU 9 2HD1 LEU 9 1.784 8.360 -0.119 67 3HD1 LEU 9 3HD1 LEU 9 1.511 9.071 1.473 68 1HD2 LEU 9 1HD2 LEU 9 0.074 6.487 2.462 69 2HD2 LEU 9 2HD2 LEU 9 1.553 6.634 1.514 70 3HD2 LEU 9 3HD2 LEU 9 0.199 5.687 0.896 71 H TYR 10 H TYR 10 -3.565 7.687 3.658 72 HA TYR 10 HA TYR 10 -2.842 4.873 4.070 73 1HB TYR 10 2HB TYR 10 -4.706 6.179 5.956 74 2HB TYR 10 1HB TYR 10 -3.243 5.259 6.279 75 HD1 TYR 10 1HD TYR 10 -1.058 6.507 5.126 76 HD2 TYR 10 2HD TYR 10 -4.597 8.400 6.656 77 HE1 TYR 10 1HE TYR 10 0.208 8.615 5.447 78 HE2 TYR 10 2HE TYR 10 -3.330 10.510 6.977 79 HH TYR 10 HH TYR 10 0.046 10.802 5.913 80 H GLN 11 H GLN 11 -5.139 6.221 2.243 81 HA GLN 11 HA GLN 11 -7.393 4.515 3.132 82 1HB GLN 11 2HB GLN 11 -7.695 6.913 2.282 83 2HB GLN 11 1HB GLN 11 -7.282 6.294 0.683 84 1HG GLN 11 2HG GLN 11 -9.677 6.251 0.834 85 2HG GLN 11 1HG GLN 11 -9.131 4.580 0.990 86 1HE2 GLN 11 1HE2 GLN 11 -11.644 5.268 2.052 87 2HE2 GLN 11 2HE2 GLN 11 -11.570 5.245 3.747 88 H VAL 12 H VAL 12 -5.009 3.236 2.308 89 HA VAL 12 HA VAL 12 -5.640 2.166 -0.377 90 HB VAL 12 HB VAL 12 -3.395 2.950 -0.204 91 1HG1 VAL 12 1HG1 VAL 12 -3.249 3.052 2.228 92 2HG1 VAL 12 2HG1 VAL 12 -1.880 2.142 1.589 93 3HG1 VAL 12 3HG1 VAL 12 -3.238 1.292 2.326 94 1HG2 VAL 12 1HG2 VAL 12 -3.950 0.497 -1.061 95 2HG2 VAL 12 2HG2 VAL 12 -2.964 0.034 0.325 96 3HG2 VAL 12 3HG2 VAL 12 -2.280 1.050 -0.943 97 H GLU 13 H GLU 13 -7.408 0.818 0.475 98 HA GLU 13 HA GLU 13 -8.280 -1.172 1.369 99 1HB GLU 13 2HB GLU 13 -5.593 -1.810 0.279 100 2HB GLU 13 1HB GLU 13 -6.293 -3.013 1.363 101 1HG GLU 13 2HG GLU 13 -7.921 -1.828 -0.879 102 2HG GLU 13 1HG GLU 13 -6.840 -3.191 -1.171 103 H LEU 14 H LEU 14 -6.976 0.776 3.236 104 HA LEU 14 HA LEU 14 -5.391 -0.394 5.203 105 1HB LEU 14 2HB LEU 14 -6.059 1.340 6.617 106 2HB LEU 14 1HB LEU 14 -6.425 2.009 5.029 107 HG LEU 14 HG LEU 14 -8.373 0.712 6.954 108 1HD1 LEU 14 1HD1 LEU 14 -7.510 3.405 6.489 109 2HD1 LEU 14 2HD1 LEU 14 -8.733 2.828 7.621 110 3HD1 LEU 14 3HD1 LEU 14 -9.189 3.259 5.972 111 1HD2 LEU 14 1HD2 LEU 14 -8.761 0.089 4.546 112 2HD2 LEU 14 2HD2 LEU 14 -8.913 1.806 4.178 113 3HD2 LEU 14 3HD2 LEU 14 -10.074 1.029 5.255 114 H GLY 15 H GLY 15 -6.363 -0.936 7.538 115 1HA GLY 15 2HA GLY 15 -8.776 -2.023 8.146 116 2HA GLY 15 1HA GLY 15 -8.092 -3.280 7.116 117 HA PRO 16 HA PRO 16 -6.357 -3.412 11.540 118 1HB PRO 16 2HB PRO 16 -8.264 -4.930 12.809 119 2HB PRO 16 1HB PRO 16 -8.261 -3.159 12.815 120 1HG PRO 16 2HG PRO 16 -10.018 -5.026 11.293 121 2HG PRO 16 1HG PRO 16 -10.338 -3.369 11.826 122 1HD PRO 16 2HD PRO 16 -9.620 -4.159 9.203 123 2HD PRO 16 1HD PRO 16 -9.627 -2.496 9.830 124 H GLY 17 H GLY 17 -5.023 -4.804 10.021 125 1HA GLY 17 2HA GLY 17 -5.156 -7.600 10.871 126 2HA GLY 17 1HA GLY 17 -5.464 -7.367 9.150 127 HA PRO 18 HA PRO 18 -1.113 -7.269 8.546 128 1HB PRO 18 2HB PRO 18 -1.089 -6.030 6.090 129 2HB PRO 18 1HB PRO 18 -1.557 -7.722 6.327 130 1HG PRO 18 2HG PRO 18 -3.286 -5.357 5.769 131 2HG PRO 18 1HG PRO 18 -3.572 -7.067 5.407 132 1HD PRO 18 2HD PRO 18 -4.709 -5.610 7.554 133 2HD PRO 18 1HD PRO 18 -4.728 -7.377 7.363 134 H SER 19 H SER 19 -2.950 -4.551 9.196 135 HA SER 19 HA SER 19 -0.500 -2.845 9.313 136 1HB SER 19 2HB SER 19 -2.644 -1.083 8.973 137 2HB SER 19 1HB SER 19 -1.429 -1.492 7.766 138 HG SER 19 HG SER 19 -4.041 -2.104 7.826 139 H GLY 20 H GLY 20 -1.115 -0.817 10.777 140 1HA GLY 20 2HA GLY 20 -2.928 -1.638 12.982 141 2HA GLY 20 1HA GLY 20 -1.245 -1.291 13.378 142 H ASP 21 H ASP 21 -2.190 0.462 14.737 143 HA ASP 21 HA ASP 21 -2.400 2.951 13.146 144 1HB ASP 21 2HB ASP 21 -4.616 1.706 14.629 145 2HB ASP 21 1HB ASP 21 -4.331 3.392 15.060 146 H MET 22 H MET 22 -2.404 1.528 16.423 147 HA MET 22 HA MET 22 -1.607 3.808 17.870 148 1HB MET 22 2HB MET 22 -1.008 0.870 18.251 149 2HB MET 22 1HB MET 22 -0.440 2.090 19.393 150 1HG MET 22 2HG MET 22 -3.251 2.469 18.728 151 2HG MET 22 1HG MET 22 -2.952 0.867 19.402 152 1HE MET 22 1HE MET 22 -2.308 0.355 21.813 153 2HE MET 22 2HE MET 22 -3.973 0.839 21.506 154 3HE MET 22 3HE MET 22 -3.144 1.428 22.944 155 H ALA 23 H ALA 23 -0.037 5.093 16.886 156 HA ALA 23 HA ALA 23 2.717 4.264 17.164 157 1HB ALA 23 1HB ALA 23 2.771 4.860 14.437 158 2HB ALA 23 2HB ALA 23 1.388 3.781 14.615 159 3HB ALA 23 3HB ALA 23 2.984 3.264 15.157 160 H ALA 24 H ALA 24 2.756 6.274 18.317 161 HA ALA 24 HA ALA 24 3.100 8.586 18.519 162 1HB ALA 24 1HB ALA 24 4.748 7.970 16.650 163 2HB ALA 24 2HB ALA 24 4.250 9.659 16.732 164 3HB ALA 24 3HB ALA 24 3.534 8.587 15.528 165 H LYS 25 H LYS 25 1.160 9.546 18.999 166 HA LYS 25 HA LYS 25 -0.342 10.769 16.798 167 1HB LYS 25 2HB LYS 25 -1.178 8.264 17.640 168 2HB LYS 25 1HB LYS 25 -2.192 9.358 18.581 169 1HG LYS 25 2HG LYS 25 -2.298 10.560 16.139 170 2HG LYS 25 1HG LYS 25 -2.153 8.867 15.664 171 1HD LYS 25 2HD LYS 25 -4.100 8.254 16.918 172 2HD LYS 25 1HD LYS 25 -4.153 9.825 17.722 173 1HE LYS 25 2HE LYS 25 -4.399 10.815 15.344 174 2HE LYS 25 1HE LYS 25 -4.795 9.170 14.848 175 1HZ LYS 25 1HZ LYS 25 -6.462 9.221 16.742 176 2HZ LYS 25 2HZ LYS 25 -6.831 10.149 15.366 177 3HZ LYS 25 3HZ LYS 25 -6.230 10.903 16.766 178 H MET 26 H MET 26 0.613 12.575 18.090 179 HA MET 26 HA MET 26 -1.318 13.799 19.789 180 1HB MET 26 2HB MET 26 -0.095 11.847 21.200 181 2HB MET 26 1HB MET 26 1.049 13.161 21.475 182 1HG MET 26 2HG MET 26 -0.431 14.361 22.733 183 2HG MET 26 1HG MET 26 -1.813 13.884 21.745 184 1HE MET 26 1HE MET 26 -3.756 12.126 23.504 185 2HE MET 26 2HE MET 26 -3.219 13.784 23.255 186 3HE MET 26 3HE MET 26 -3.145 13.073 24.865 187 H SER 27 H SER 27 -0.547 15.323 18.073 188 HA SER 27 HA SER 27 1.776 16.883 19.093 189 1HB SER 27 2HB SER 27 1.426 15.695 16.371 190 2HB SER 27 1HB SER 27 2.168 17.289 16.487 191 HG SER 27 HG SER 27 3.199 14.864 17.063 192 H LYS 28 H LYS 28 -0.560 17.804 19.806 193 HA LYS 28 HA LYS 28 -2.104 19.562 19.597 194 1HB LYS 28 2HB LYS 28 0.456 20.463 18.721 195 2HB LYS 28 1HB LYS 28 -0.753 21.170 17.648 196 1HG LYS 28 2HG LYS 28 -2.051 21.736 19.818 197 2HG LYS 28 1HG LYS 28 -0.523 21.427 20.644 198 1HD LYS 28 2HD LYS 28 0.597 23.143 19.376 199 2HD LYS 28 1HD LYS 28 -0.799 23.347 18.317 200 1HE LYS 28 2HE LYS 28 -2.136 24.023 20.346 201 2HE LYS 28 1HE LYS 28 -0.632 24.014 21.267 202 1HZ LYS 28 1HZ LYS 28 0.168 25.824 20.163 203 2HZ LYS 28 2HZ LYS 28 -1.492 26.181 20.116 204 3HZ LYS 28 3HZ LYS 28 -0.725 25.518 18.753 205 H LYS 29 H LYS 29 -3.350 20.898 17.846 206 HA LYS 29 HA LYS 29 -3.963 19.015 15.618 207 1HB LYS 29 2HB LYS 29 -5.597 20.463 17.421 208 2HB LYS 29 1HB LYS 29 -5.829 21.203 15.838 209 1HG LYS 29 2HG LYS 29 -5.907 18.615 15.105 210 2HG LYS 29 1HG LYS 29 -6.501 18.455 16.758 211 1HD LYS 29 2HD LYS 29 -7.717 20.719 15.375 212 2HD LYS 29 1HD LYS 29 -8.020 19.192 14.543 213 1HE LYS 29 2HE LYS 29 -8.360 18.599 17.260 214 2HE LYS 29 1HE LYS 29 -9.136 20.168 17.042 215 1HZ LYS 29 1HZ LYS 29 -9.928 18.798 14.855 216 2HZ LYS 29 2HZ LYS 29 -10.844 18.982 16.274 217 3HZ LYS 29 3HZ LYS 29 -9.908 17.583 16.038 218 H LYS 30 H LYS 30 -2.483 22.023 16.273 219 HA LYS 30 HA LYS 30 -1.656 23.703 14.859 220 1HB LYS 30 2HB LYS 30 -1.096 21.294 13.668 221 2HB LYS 30 1HB LYS 30 -1.993 22.121 12.393 222 1HG LYS 30 2HG LYS 30 -0.352 23.665 12.062 223 2HG LYS 30 1HG LYS 30 0.010 23.792 13.784 224 1HD LYS 30 2HD LYS 30 0.784 21.393 12.105 225 2HD LYS 30 1HD LYS 30 1.857 22.766 12.379 226 1HE LYS 30 2HE LYS 30 0.966 22.163 14.930 227 2HE LYS 30 1HE LYS 30 1.147 20.573 14.187 228 1HZ LYS 30 1HZ LYS 30 3.352 21.992 13.387 229 2HZ LYS 30 2HZ LYS 30 3.306 20.779 14.576 230 3HZ LYS 30 3HZ LYS 30 3.154 22.412 15.019 231 H ALA 31 H ALA 31 -3.114 25.350 14.652 232 HA ALA 31 HA ALA 31 -4.857 26.634 13.748 233 1HB ALA 31 1HB ALA 31 -3.937 26.403 11.586 234 2HB ALA 31 2HB ALA 31 -5.602 25.857 11.387 235 3HB ALA 31 3HB ALA 31 -4.297 24.678 11.522 236 H GLY 32 H GLY 32 -7.063 26.631 14.085 237 1HA GLY 32 2HA GLY 32 -8.351 23.947 14.395 238 2HA GLY 32 1HA GLY 32 -8.750 25.333 15.411 239 H ARG 33 H ARG 33 -8.245 25.391 11.903 240 HA ARG 33 HA ARG 33 -11.165 25.813 11.517 241 1HB ARG 33 2HB ARG 33 -8.958 27.759 10.954 242 2HB ARG 33 1HB ARG 33 -10.322 27.690 9.836 243 1HG ARG 33 2HG ARG 33 -11.777 28.578 11.347 244 2HG ARG 33 1HG ARG 33 -11.052 27.712 12.702 245 1HD ARG 33 2HD ARG 33 -10.074 29.649 13.306 246 2HD ARG 33 1HD ARG 33 -9.072 29.509 11.860 247 HE ARG 33 HE ARG 33 -11.086 31.473 12.235 248 1HH1 ARG 33 1HH2 ARG 33 -8.949 30.828 9.962 249 2HH1 ARG 33 2HH2 ARG 33 -9.987 30.961 8.582 250 1HH2 ARG 33 1HH1 ARG 33 -12.911 30.918 10.444 251 2HH2 ARG 33 2HH1 ARG 33 -12.229 31.011 8.855 252 H GLY 34 H GLY 34 -9.175 23.661 10.861 253 1HA GLY 34 2HA GLY 34 -9.024 23.817 7.910 254 2HA GLY 34 1HA GLY 34 -8.308 22.556 8.914 Start of MODEL 15 1 1H MET 1 1HT MET 1 1.390 24.743 10.044 2 2H MET 1 2HT MET 1 0.296 24.809 8.745 3 3H MET 1 3HT MET 1 -0.169 24.100 10.218 4 HA MET 1 HA MET 1 0.064 26.261 11.325 5 1HB MET 1 2HB MET 1 1.694 27.017 9.434 6 2HB MET 1 1HB MET 1 0.223 27.458 8.566 7 1HG MET 1 2HG MET 1 -0.221 28.488 11.098 8 2HG MET 1 1HG MET 1 1.502 28.775 10.851 9 1HE MET 1 1HE MET 1 1.911 31.584 9.591 10 2HE MET 1 2HE MET 1 1.415 30.843 11.110 11 3HE MET 1 3HE MET 1 0.403 32.081 10.370 12 H GLY 2 H GLY 2 -1.620 24.612 8.932 13 1HA GLY 2 2HA GLY 2 -4.170 24.908 9.698 14 2HA GLY 2 1HA GLY 2 -3.925 26.468 8.911 15 H LYS 3 H LYS 3 -4.636 23.160 8.403 16 HA LYS 3 HA LYS 3 -4.806 23.672 5.486 17 1HB LYS 3 2HB LYS 3 -3.814 21.341 5.108 18 2HB LYS 3 1HB LYS 3 -2.674 22.599 5.589 19 1HG LYS 3 2HG LYS 3 -3.318 21.755 8.032 20 2HG LYS 3 1HG LYS 3 -3.705 20.271 7.160 21 1HD LYS 3 2HD LYS 3 -1.461 20.184 6.218 22 2HD LYS 3 1HD LYS 3 -1.061 21.739 6.950 23 1HE LYS 3 2HE LYS 3 -1.111 20.845 9.146 24 2HE LYS 3 1HE LYS 3 -1.966 19.393 8.623 25 1HZ LYS 3 1HZ LYS 3 0.624 19.413 9.024 26 2HZ LYS 3 2HZ LYS 3 0.634 19.944 7.409 27 3HZ LYS 3 3HZ LYS 3 -0.084 18.458 7.814 28 H ALA 4 H ALA 4 -6.546 22.591 4.543 29 HA ALA 4 HA ALA 4 -8.017 20.643 6.261 30 1HB ALA 4 1HB ALA 4 -8.883 23.282 5.429 31 2HB ALA 4 2HB ALA 4 -9.678 22.145 6.518 32 3HB ALA 4 3HB ALA 4 -9.957 22.044 4.779 33 H GLU 5 H GLU 5 -6.765 19.218 4.676 34 HA GLU 5 HA GLU 5 -8.516 18.685 2.346 35 1HB GLU 5 2HB GLU 5 -6.062 20.023 2.056 36 2HB GLU 5 1HB GLU 5 -5.735 18.354 1.583 37 1HG GLU 5 2HG GLU 5 -8.277 19.449 0.553 38 2HG GLU 5 1HG GLU 5 -6.829 20.231 -0.080 39 H ASN 6 H ASN 6 -8.655 16.483 1.898 40 HA ASN 6 HA ASN 6 -7.680 14.646 3.896 41 1HB ASN 6 2HB ASN 6 -8.735 12.937 2.516 42 2HB ASN 6 1HB ASN 6 -9.800 14.336 2.614 43 1HD2 ASN 6 1HD2 ASN 6 -9.222 12.162 0.415 44 2HD2 ASN 6 2HD2 ASN 6 -9.048 13.093 -0.995 45 H TYR 7 H TYR 7 -6.036 13.073 3.684 46 HA TYR 7 HA TYR 7 -3.977 13.731 1.661 47 1HB TYR 7 2HB TYR 7 -3.251 11.565 3.451 48 2HB TYR 7 1HB TYR 7 -2.488 13.137 3.243 49 HD1 TYR 7 1HD TYR 7 -3.341 15.123 4.518 50 HD2 TYR 7 2HD TYR 7 -4.732 11.132 5.279 51 HE1 TYR 7 1HE TYR 7 -4.252 15.857 6.704 52 HE2 TYR 7 2HE TYR 7 -5.644 11.865 7.465 53 HH TYR 7 HH TYR 7 -6.378 13.915 8.554 54 H GLU 8 H GLU 8 -6.161 11.146 2.602 55 HA GLU 8 HA GLU 8 -6.661 9.100 1.564 56 1HB GLU 8 2HB GLU 8 -6.434 11.122 -0.449 57 2HB GLU 8 1HB GLU 8 -5.751 9.628 -1.093 58 1HG GLU 8 2HG GLU 8 -7.881 8.501 -0.104 59 2HG GLU 8 1HG GLU 8 -8.539 10.137 -0.074 60 H LEU 9 H LEU 9 -3.962 9.456 2.692 61 HA LEU 9 HA LEU 9 -2.135 8.117 0.831 62 1HB LEU 9 2HB LEU 9 -1.652 9.780 2.874 63 2HB LEU 9 1HB LEU 9 -1.543 8.254 3.752 64 HG LEU 9 HG LEU 9 0.669 8.758 2.947 65 1HD1 LEU 9 1HD1 LEU 9 -0.429 6.400 2.565 66 2HD1 LEU 9 2HD1 LEU 9 1.141 6.753 1.842 67 3HD1 LEU 9 3HD1 LEU 9 -0.323 6.836 0.860 68 1HD2 LEU 9 1HD2 LEU 9 -0.580 10.172 0.980 69 2HD2 LEU 9 2HD2 LEU 9 -0.075 8.744 0.078 70 3HD2 LEU 9 3HD2 LEU 9 1.124 9.722 0.924 71 H TYR 10 H TYR 10 -3.065 7.182 4.164 72 HA TYR 10 HA TYR 10 -2.657 4.370 3.500 73 1HB TYR 10 2HB TYR 10 -4.089 5.079 5.992 74 2HB TYR 10 1HB TYR 10 -2.731 3.990 5.748 75 HD1 TYR 10 1HD TYR 10 -0.797 5.752 4.359 76 HD2 TYR 10 2HD TYR 10 -3.368 6.539 7.709 77 HE1 TYR 10 1HE TYR 10 0.766 7.509 5.146 78 HE2 TYR 10 2HE TYR 10 -1.804 8.297 8.495 79 HH TYR 10 HH TYR 10 0.887 9.370 6.540 80 H GLN 11 H GLN 11 -5.076 6.384 2.676 81 HA GLN 11 HA GLN 11 -7.332 4.594 3.341 82 1HB GLN 11 2HB GLN 11 -7.183 7.305 2.966 83 2HB GLN 11 1HB GLN 11 -7.748 6.772 1.383 84 1HG GLN 11 2HG GLN 11 -9.448 5.331 2.730 85 2HG GLN 11 1HG GLN 11 -9.064 6.415 4.067 86 1HE2 GLN 11 1HE2 GLN 11 -10.080 8.454 4.072 87 2HE2 GLN 11 2HE2 GLN 11 -11.000 9.063 2.782 88 H VAL 12 H VAL 12 -5.271 3.431 1.797 89 HA VAL 12 HA VAL 12 -6.543 3.151 -0.870 90 HB VAL 12 HB VAL 12 -4.361 4.133 -1.055 91 1HG1 VAL 12 1HG1 VAL 12 -3.597 3.378 1.211 92 2HG1 VAL 12 2HG1 VAL 12 -2.383 3.184 -0.054 93 3HG1 VAL 12 3HG1 VAL 12 -3.288 1.783 0.519 94 1HG2 VAL 12 1HG2 VAL 12 -5.028 1.568 -2.127 95 2HG2 VAL 12 2HG2 VAL 12 -3.298 1.578 -1.782 96 3HG2 VAL 12 3HG2 VAL 12 -3.993 2.806 -2.840 97 H GLU 13 H GLU 13 -7.858 1.351 -0.476 98 HA GLU 13 HA GLU 13 -8.408 -0.863 0.147 99 1HB GLU 13 2HB GLU 13 -6.206 -0.796 -1.720 100 2HB GLU 13 1HB GLU 13 -6.051 -2.199 -0.661 101 1HG GLU 13 2HG GLU 13 -8.731 -2.245 -1.211 102 2HG GLU 13 1HG GLU 13 -8.077 -1.618 -2.726 103 H LEU 14 H LEU 14 -7.709 0.269 2.445 104 HA LEU 14 HA LEU 14 -5.410 -0.441 3.834 105 1HB LEU 14 2HB LEU 14 -8.211 0.107 4.565 106 2HB LEU 14 1HB LEU 14 -7.339 -0.878 5.741 107 HG LEU 14 HG LEU 14 -6.257 1.711 4.600 108 1HD1 LEU 14 1HD1 LEU 14 -8.439 1.580 6.218 109 2HD1 LEU 14 2HD1 LEU 14 -7.270 2.899 6.268 110 3HD1 LEU 14 3HD1 LEU 14 -7.151 1.571 7.424 111 1HD2 LEU 14 1HD2 LEU 14 -4.393 1.243 5.793 112 2HD2 LEU 14 2HD2 LEU 14 -5.029 -0.393 5.970 113 3HD2 LEU 14 3HD2 LEU 14 -5.337 0.812 7.221 114 H GLY 15 H GLY 15 -5.258 -2.226 5.566 115 1HA GLY 15 2HA GLY 15 -6.692 -4.709 5.073 116 2HA GLY 15 1HA GLY 15 -5.043 -4.751 4.446 117 HA PRO 16 HA PRO 16 -4.943 -4.404 9.254 118 1HB PRO 16 2HB PRO 16 -7.146 -5.523 10.459 119 2HB PRO 16 1HB PRO 16 -7.007 -3.797 10.078 120 1HG PRO 16 2HG PRO 16 -8.621 -5.897 8.707 121 2HG PRO 16 1HG PRO 16 -8.897 -4.150 8.796 122 1HD PRO 16 2HD PRO 16 -7.813 -5.544 6.584 123 2HD PRO 16 1HD PRO 16 -7.791 -3.783 6.823 124 H GLY 17 H GLY 17 -3.533 -6.190 8.207 125 1HA GLY 17 2HA GLY 17 -2.556 -8.271 8.911 126 2HA GLY 17 1HA GLY 17 -4.111 -8.734 9.607 127 HA PRO 18 HA PRO 18 -4.459 -9.502 4.888 128 1HB PRO 18 2HB PRO 18 -2.156 -9.167 3.424 129 2HB PRO 18 1HB PRO 18 -3.341 -7.877 3.691 130 1HG PRO 18 2HG PRO 18 -0.655 -8.239 4.931 131 2HG PRO 18 1HG PRO 18 -1.574 -6.749 4.663 132 1HD PRO 18 2HD PRO 18 -1.333 -8.128 7.125 133 2HD PRO 18 1HD PRO 18 -2.498 -6.838 6.759 134 H SER 19 H SER 19 -0.959 -10.149 5.056 135 HA SER 19 HA SER 19 -1.609 -13.069 5.102 136 1HB SER 19 2HB SER 19 1.102 -12.560 4.304 137 2HB SER 19 1HB SER 19 -0.197 -13.291 3.366 138 HG SER 19 HG SER 19 -0.880 -11.178 2.827 139 H GLY 20 H GLY 20 -0.098 -10.491 6.791 140 1HA GLY 20 2HA GLY 20 0.824 -12.409 8.849 141 2HA GLY 20 1HA GLY 20 2.035 -11.311 8.184 142 H ASP 21 H ASP 21 1.815 -10.903 10.743 143 HA ASP 21 HA ASP 21 1.315 -9.290 12.372 144 1HB ASP 21 2HB ASP 21 0.071 -7.655 10.156 145 2HB ASP 21 1HB ASP 21 0.854 -7.081 11.628 146 H MET 22 H MET 22 -0.482 -8.633 13.674 147 HA MET 22 HA MET 22 -3.206 -8.736 12.779 148 1HB MET 22 2HB MET 22 -3.669 -10.843 14.323 149 2HB MET 22 1HB MET 22 -3.220 -11.050 12.631 150 1HG MET 22 2HG MET 22 -1.292 -12.078 13.188 151 2HG MET 22 1HG MET 22 -0.864 -10.795 14.317 152 1HE MET 22 1HE MET 22 -3.892 -14.034 14.954 153 2HE MET 22 2HE MET 22 -2.365 -14.715 14.398 154 3HE MET 22 3HE MET 22 -3.146 -13.442 13.462 155 H ALA 23 H ALA 23 -1.589 -9.881 15.768 156 HA ALA 23 HA ALA 23 -2.081 -7.434 17.204 157 1HB ALA 23 1HB ALA 23 -4.112 -9.640 17.377 158 2HB ALA 23 2HB ALA 23 -4.366 -7.896 17.333 159 3HB ALA 23 3HB ALA 23 -3.772 -8.663 18.805 160 H ALA 24 H ALA 24 0.234 -8.275 17.419 161 HA ALA 24 HA ALA 24 0.385 -10.063 19.811 162 1HB ALA 24 1HB ALA 24 1.151 -11.096 17.570 163 2HB ALA 24 2HB ALA 24 2.270 -11.197 18.930 164 3HB ALA 24 3HB ALA 24 2.517 -9.984 17.674 165 H LYS 25 H LYS 25 1.074 -8.796 21.462 166 HA LYS 25 HA LYS 25 2.402 -7.279 22.664 167 1HB LYS 25 2HB LYS 25 4.268 -8.512 21.508 168 2HB LYS 25 1HB LYS 25 4.194 -7.310 20.219 169 1HG LYS 25 2HG LYS 25 4.272 -5.927 22.723 170 2HG LYS 25 1HG LYS 25 5.569 -7.124 22.711 171 1HD LYS 25 2HD LYS 25 5.203 -5.567 20.208 172 2HD LYS 25 1HD LYS 25 5.830 -4.675 21.594 173 1HE LYS 25 2HE LYS 25 7.477 -6.648 21.873 174 2HE LYS 25 1HE LYS 25 7.014 -7.093 20.230 175 1HZ LYS 25 1HZ LYS 25 7.753 -4.308 20.754 176 2HZ LYS 25 2HZ LYS 25 7.975 -5.245 19.354 177 3HZ LYS 25 3HZ LYS 25 8.996 -5.461 20.694 178 H MET 26 H MET 26 0.627 -5.733 22.358 179 HA MET 26 HA MET 26 1.543 -3.347 20.896 180 1HB MET 26 2HB MET 26 0.242 -4.497 19.176 181 2HB MET 26 1HB MET 26 -1.109 -4.689 20.293 182 1HG MET 26 2HG MET 26 -1.882 -2.660 19.714 183 2HG MET 26 1HG MET 26 -0.376 -1.927 20.266 184 1HE MET 26 1HE MET 26 -0.778 -3.963 16.207 185 2HE MET 26 2HE MET 26 -2.271 -3.394 16.950 186 3HE MET 26 3HE MET 26 -1.248 -4.543 17.809 187 H SER 27 H SER 27 -1.054 -4.834 22.807 188 HA SER 27 HA SER 27 -0.911 -3.017 24.958 189 1HB SER 27 2HB SER 27 -2.893 -1.579 24.510 190 2HB SER 27 1HB SER 27 -1.592 -1.285 23.361 191 HG SER 27 HG SER 27 -3.986 -2.748 23.013 192 H LYS 28 H LYS 28 -2.896 -3.204 26.386 193 HA LYS 28 HA LYS 28 -4.546 -5.592 25.700 194 1HB LYS 28 2HB LYS 28 -2.464 -5.556 27.609 195 2HB LYS 28 1HB LYS 28 -3.969 -5.519 28.528 196 1HG LYS 28 2HG LYS 28 -3.999 -7.764 28.206 197 2HG LYS 28 1HG LYS 28 -4.542 -7.368 26.575 198 1HD LYS 28 2HD LYS 28 -2.585 -8.023 25.652 199 2HD LYS 28 1HD LYS 28 -1.636 -7.176 26.874 200 1HE LYS 28 2HE LYS 28 -2.405 -9.107 28.455 201 2HE LYS 28 1HE LYS 28 -2.754 -9.969 26.955 202 1HZ LYS 28 1HZ LYS 28 -0.255 -9.487 28.189 203 2HZ LYS 28 2HZ LYS 28 -0.266 -8.812 26.630 204 3HZ LYS 28 3HZ LYS 28 -0.612 -10.462 26.847 205 H LYS 29 H LYS 29 -6.622 -4.907 25.751 206 HA LYS 29 HA LYS 29 -7.499 -3.229 28.044 207 1HB LYS 29 2HB LYS 29 -8.774 -1.749 26.554 208 2HB LYS 29 1HB LYS 29 -7.059 -1.691 26.143 209 1HG LYS 29 2HG LYS 29 -7.453 -3.355 24.343 210 2HG LYS 29 1HG LYS 29 -9.173 -3.342 24.727 211 1HD LYS 29 2HD LYS 29 -9.103 -0.818 24.337 212 2HD LYS 29 1HD LYS 29 -7.500 -1.069 23.644 213 1HE LYS 29 2HE LYS 29 -8.395 -2.552 21.952 214 2HE LYS 29 1HE LYS 29 -9.990 -2.520 22.707 215 1HZ LYS 29 1HZ LYS 29 -10.422 -0.450 21.933 216 2HZ LYS 29 2HZ LYS 29 -9.359 -0.946 20.705 217 3HZ LYS 29 3HZ LYS 29 -8.800 0.042 21.969 218 H LYS 30 H LYS 30 -9.942 -3.240 28.204 219 HA LYS 30 HA LYS 30 -10.972 -5.885 27.274 220 1HB LYS 30 2HB LYS 30 -11.969 -4.141 29.548 221 2HB LYS 30 1HB LYS 30 -12.525 -5.771 29.158 222 1HG LYS 30 2HG LYS 30 -9.615 -5.611 29.453 223 2HG LYS 30 1HG LYS 30 -10.476 -5.148 30.921 224 1HD LYS 30 2HD LYS 30 -11.862 -7.390 29.990 225 2HD LYS 30 1HD LYS 30 -10.163 -7.785 29.727 226 1HE LYS 30 2HE LYS 30 -9.626 -7.392 32.035 227 2HE LYS 30 1HE LYS 30 -11.212 -6.684 32.344 228 1HZ LYS 30 1HZ LYS 30 -12.233 -8.809 31.903 229 2HZ LYS 30 2HZ LYS 30 -11.054 -8.985 33.114 230 3HZ LYS 30 3HZ LYS 30 -10.731 -9.499 31.526 231 H ALA 31 H ALA 31 -11.172 -4.247 25.240 232 HA ALA 31 HA ALA 31 -13.619 -2.620 25.361 233 1HB ALA 31 1HB ALA 31 -11.664 -3.278 23.143 234 2HB ALA 31 2HB ALA 31 -11.862 -1.740 23.984 235 3HB ALA 31 3HB ALA 31 -13.116 -2.311 22.884 236 H GLY 32 H GLY 32 -15.504 -3.077 24.058 237 1HA GLY 32 2HA GLY 32 -16.884 -4.495 22.692 238 2HA GLY 32 1HA GLY 32 -15.687 -5.780 22.861 239 H ARG 33 H ARG 33 -18.590 -5.935 23.356 240 HA ARG 33 HA ARG 33 -18.726 -6.257 26.302 241 1HB ARG 33 2HB ARG 33 -21.157 -6.835 25.772 242 2HB ARG 33 1HB ARG 33 -20.663 -5.185 25.392 243 1HG ARG 33 2HG ARG 33 -20.679 -5.558 23.103 244 2HG ARG 33 1HG ARG 33 -20.372 -7.287 23.277 245 1HD ARG 33 2HD ARG 33 -22.579 -7.760 23.332 246 2HD ARG 33 1HD ARG 33 -22.886 -6.504 24.530 247 HE ARG 33 HE ARG 33 -23.162 -6.220 21.622 248 1HH1 ARG 33 1HH1 ARG 33 -22.108 -4.473 24.353 249 2HH1 ARG 33 2HH1 ARG 33 -23.054 -3.065 24.005 250 1HH2 ARG 33 1HH2 ARG 33 -24.685 -4.502 21.304 251 2HH2 ARG 33 2HH2 ARG 33 -24.514 -3.081 22.278 252 H GLY 34 H GLY 34 -19.371 -8.315 27.227 253 1HA GLY 34 2HA GLY 34 -18.465 -10.613 25.563 254 2HA GLY 34 1HA GLY 34 -18.524 -10.597 27.325
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